CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)=CC(C(=O)[O-])=C1Cl	REAL300000300001	0	32	-3.0	-216.90	327.20	0.42	-216.48
CCN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)C=C1C(=O)[O-]	REAL300000300002	0	33	-3.0	-219.24	324.01	-0.32	-219.56
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)C(C)=C1CC(=O)[O-]	REAL300000300003	0	41	-3.0	-218.62	360.98	2.28	-216.34
O=C([O-])C1=C(F)C(Cl)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)=C1	REAL300000300004	0	29	-3.0	-201.83	321.57	0.02	-201.81
CC1=C(Cl)C=C(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)C=C1C(=O)[O-]	REAL300000300005	0	32	-3.0	-214.11	329.72	0.53	-213.58
CC(C)(C)C1=C(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)C=C(C(=O)[O-])S1	REAL300000300006	0	38	-3.0	-210.47	345.71	1.36	-209.11
COC1=CC(Cl)=C(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)C=C1C(=O)[O-]	REAL300000300007	0	33	-3.0	-216.81	336.30	0.07	-216.74
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)=CC=C1C(=O)[O-]	REAL300000300008	0	32	-3.0	-202.49	311.99	0.00	-202.49
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)C([N+](=O)[O-])=C1	REAL300000300009	0	34	-3.0	-207.88	339.26	1.51	-206.37
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CN=CC=N1	REAL300000300010	0	32	-3.0	-211.23	315.94	0.26	-210.97
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)=CC=C1	REAL300000300011	0	31	-3.0	-231.02	319.73	1.31	-229.71
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)=CC=C1	REAL300000300012	0	29	-3.0	-227.88	299.60	-0.51	-228.39
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)C=C1C(=O)[O-]	REAL300000300013	0	32	-3.0	-211.51	320.93	0.14	-211.37
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)=CC2=CC=CC=C21	REAL300000300014	0	35	-3.0	-231.27	337.03	1.59	-229.68
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)=C1	REAL300000300015	0	28	-3.0	-217.74	292.20	-2.42	-220.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=CN=CC=N1	REAL300000300016	0	33	-3.0	-207.77	324.19	-0.73	-208.50
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)=C(Cl)O1	REAL300000300017	0	26	-3.0	-199.89	296.13	-1.55	-201.44
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=CN=CC=N3)C=C2)CC1	REAL300000300018	0	36	-3.0	-208.70	342.11	1.35	-207.35
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=CN=CC=N3)C=C2C1	REAL300000300019	0	36	-3.0	-221.33	341.44	1.35	-219.98
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CN=CC=N2)C=C(C(=O)[O-])O1	REAL300000300020	0	32	-3.0	-205.89	318.11	-0.61	-206.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SCC(F)(F)F)C=C1	REAL300000300021	1	35	-2.0	-96.92	345.39	7.37	-89.55
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2SCC(F)(F)F)=C1	REAL300000300022	0	35	-2.0	-109.34	345.41	7.36	-101.98
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2SCC(F)(F)F)=C1	REAL300000300023	0	32	-2.0	-103.85	338.59	6.38	-97.47
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2SCC(F)(F)F)C=C1C(=O)[O-]	REAL300000300024	0	36	-2.0	-107.70	352.06	6.71	-100.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SCC(F)(F)F)=CS1	REAL300000300025	0	32	-2.0	-105.12	337.06	6.39	-98.73
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SCC(F)(F)F)C=C(C(=O)[O-])O1	REAL300000300026	0	35	-2.0	-102.99	348.42	6.50	-96.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SCC(F)(F)F)S1	REAL300000300027	0	32	-2.0	-98.80	337.66	6.49	-92.31
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2SCC(F)(F)F)=C1	REAL300000300028	0	34	-2.0	-107.31	341.62	5.47	-101.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=C1	REAL300000300031	1	39	-2.0	-111.46	352.92	5.47	-105.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)C2CC2)C=C1	REAL300000300032	0	43	-2.0	-116.50	381.04	5.28	-111.22
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)C=C1	REAL300000300033	1	43	-2.0	-104.02	384.37	6.78	-97.24
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=C1	REAL300000300035	0	39	-2.0	-112.96	365.99	6.05	-106.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=CC=C1Cl	REAL300000300036	1	39	-2.0	-107.30	365.40	5.86	-101.44
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=C1	REAL300000300038	0	39	-2.0	-114.69	358.40	5.54	-109.15
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)C=C1	REAL300000300039	1	45	-2.0	-103.45	396.48	7.07	-96.38
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=C1	REAL300000300040	0	36	-2.0	-110.70	346.10	4.49	-106.21
CN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000300043	1	40	-2.0	-110.04	359.54	4.84	-105.20
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=C1	REAL300000300045	0	39	-2.0	-102.70	362.01	5.16	-97.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=CS1	REAL300000300047	0	36	-2.0	-113.27	344.57	4.51	-108.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)C2CC2)C=C1	REAL300000300049	1	45	-2.0	-110.08	383.08	7.21	-102.87
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000300050	0	39	-2.0	-105.22	355.94	4.62	-100.60
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=C1	REAL300000300051	0	43	-2.0	-114.02	381.88	4.57	-109.45
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)C2CC2)C=C1	REAL300000300052	1	42	-2.0	-102.57	373.61	6.31	-96.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)C=C(C(=O)[O-])S1	REAL300000300053	1	39	-2.0	-108.42	361.51	5.37	-103.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)C(Cl)=C1	REAL300000300054	0	39	-2.0	-97.37	365.95	6.04	-91.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)C=C1F	REAL300000300055	1	39	-2.0	-99.01	357.41	5.52	-93.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)S1	REAL300000300056	0	36	-2.0	-101.46	345.16	4.60	-96.86
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=C1	REAL300000300057	1	39	-2.0	-102.49	359.03	5.56	-96.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=C1F	REAL300000300058	0	42	-2.0	-109.96	378.67	6.18	-103.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)C(F)=C1	REAL300000300059	0	39	-2.0	-99.25	358.37	5.55	-93.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)C=C1Cl	REAL300000300060	1	39	-2.0	-97.30	365.40	5.88	-91.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=CC(F)=C1F	REAL300000300061	1	39	-2.0	-101.62	363.73	5.58	-96.04
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=C1	REAL300000300062	0	40	-2.0	-110.63	362.62	3.19	-107.44
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(NC(=O)C3CC3)C=C2)=C1	REAL300000300062	1	40	-2.0	-112.29	361.74	3.97	-108.32
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)C=C1	REAL300000300063	1	42	-2.0	-108.53	375.09	6.27	-102.26
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=C1	REAL300000300068	0	39	-2.0	-100.37	364.65	5.61	-94.76
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000300070	0	42	-2.0	-115.82	374.48	6.08	-109.74
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=C1	REAL300000300071	0	42	-2.0	-118.11	377.66	6.18	-111.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000300073	1	43	-2.0	-111.40	380.92	5.70	-105.70
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=C1F	REAL300000300076	0	39	-2.0	-117.48	356.56	5.52	-111.96
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000300077	1	42	-2.0	-105.38	377.79	6.16	-99.22
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=C1	REAL300000300078	0	38	-2.0	-110.04	349.12	3.61	-106.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)C2CC2)C=C1	REAL300000300079	0	43	-2.0	-103.76	381.10	5.28	-98.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)=C(Cl)O1	REAL300000300080	0	36	-2.0	-99.38	353.05	4.46	-94.92
CCC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000300081	0	42	-2.0	-104.92	375.03	5.48	-99.44
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300082	1	40	-2.0	-114.25	355.41	7.18	-107.07
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300083	1	37	-2.0	-113.74	339.98	6.40	-107.34
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000300086	0	31	-2.0	-117.66	293.70	6.05	-111.61
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000300087	0	34	-2.0	-105.24	317.15	5.39	-99.85
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000300088	0	30	-2.0	-101.15	297.06	4.39	-96.76
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000300089	1	32	-2.0	-107.62	306.04	6.14	-101.48
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000300090	1	32	-2.0	-103.58	306.01	6.13	-97.45
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000300091	0	31	-2.0	-106.79	307.41	6.32	-100.47
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300000300092	0	34	-2.0	-105.89	327.80	7.65	-98.24
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Br	REAL300000300095	1	31	-2.0	-110.93	301.68	6.47	-104.46
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000300098	0	41	-2.0	-104.25	368.40	4.81	-99.44
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000300098	1	40	-3.0	-156.50	370.12	4.91	-151.59
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000300099	0	34	-2.0	-125.32	316.65	6.26	-119.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1[N+](=O)[O-]	REAL300000300102	1	36	-2.0	-108.54	329.40	6.93	-101.61
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300103	0	41	-3.0	-175.72	373.28	7.40	-168.32
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1C	REAL300000300103	1	42	-2.0	-114.63	370.66	6.86	-107.77
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)S1	REAL300000300104	0	28	-2.0	-103.04	298.80	5.46	-97.58
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C(Cl)=CC(C)=C1Cl	REAL300000300105	0	37	-2.0	-106.98	344.92	8.25	-98.73
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000300110	0	34	-2.0	-106.03	312.02	6.23	-99.80
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300111	0	39	-2.0	-118.77	342.93	4.83	-113.94
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300114	0	33	-2.0	-100.35	300.12	4.68	-95.67
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000300115	1	31	-2.0	-101.80	317.12	6.72	-95.08
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000300116	0	34	-2.0	-100.43	312.13	6.23	-94.20
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000300117	1	31	-2.0	-100.95	297.91	5.86	-95.09
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000300118	0	31	-2.0	-107.17	315.06	6.83	-100.34
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000300119	1	34	-2.0	-106.69	324.28	6.76	-99.93
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000300122	0	34	-2.0	-113.38	311.07	7.13	-106.25
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300000300123	1	34	-2.0	-101.20	337.10	7.16	-94.04
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000300124	1	31	-2.0	-107.09	301.92	6.27	-100.82
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300000300125	0	34	-2.0	-106.57	337.07	7.31	-99.26
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000300126	1	36	-2.0	-109.27	326.44	6.17	-103.10
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300130	1	36	-2.0	-120.17	326.46	6.15	-114.02
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300132	0	37	-2.0	-123.07	330.44	7.15	-115.92
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000300133	1	40	-2.0	-105.18	361.82	7.35	-97.83
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000300134	0	31	-2.0	-108.55	313.52	6.76	-101.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1[N+](=O)[O-]	REAL300000300135	1	37	-2.0	-108.04	340.72	6.50	-101.54
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300000300139	1	42	-2.0	-109.52	381.52	3.72	-105.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300140	0	37	-3.0	-182.49	341.80	6.12	-176.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1C	REAL300000300140	1	38	-2.0	-117.82	339.18	5.58	-112.24
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000300141	0	38	-2.0	-108.09	343.38	7.51	-100.58
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300000300142	0	31	-2.0	-111.56	308.80	7.08	-104.48
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000300143	0	28	-2.0	-102.91	294.17	5.36	-97.55
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300145	0	35	-2.0	-117.25	313.46	5.53	-111.72
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000300146	0	37	-2.0	-123.99	328.17	6.77	-117.22
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300147	0	42	-2.0	-133.12	369.81	4.41	-128.71
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000300148	0	31	-2.0	-104.49	303.30	5.93	-98.56
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000300149	1	31	-2.0	-102.00	318.66	6.79	-95.21
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000300150	0	31	-2.0	-111.59	298.33	6.32	-105.27
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1	REAL300000300151	1	31	-2.0	-107.05	306.49	6.38	-100.67
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000300152	1	33	-2.0	-107.68	313.41	6.42	-101.26
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300153	1	36	-2.0	-108.13	328.90	7.20	-100.93
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300000300154	1	33	-2.0	-101.96	325.88	6.79	-95.17
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000300156	0	33	-2.0	-121.43	306.29	7.18	-114.25
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000300159	0	31	-2.0	-106.12	297.09	5.88	-100.24
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000300160	1	31	-2.0	-107.25	291.60	5.82	-101.43
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000300161	1	31	-2.0	-101.35	298.02	5.89	-95.46
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000300168	1	33	-2.0	-99.30	313.41	6.43	-92.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300170	0	31	-2.0	-109.45	299.02	5.55	-103.90
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000300172	0	40	-2.0	-121.92	346.12	7.65	-114.27
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300173	0	35	-2.0	-110.45	330.18	6.05	-104.40
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000300175	0	33	-3.0	-173.59	319.12	6.38	-167.21
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000300175	1	34	-2.0	-95.93	316.99	5.91	-90.02
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300000300176	0	28	-2.0	-102.32	308.04	5.89	-96.43
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300000300178	1	36	-2.0	-105.65	323.44	7.02	-98.63
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000300179	0	31	-2.0	-109.56	297.09	5.88	-103.68
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000300180	0	40	-2.0	-102.80	355.66	7.82	-94.98
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000300182	1	35	-2.0	-106.60	320.94	2.56	-104.04
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000300189	0	30	-3.0	-169.06	306.85	5.33	-163.73
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000300190	1	34	-2.0	-106.10	316.95	3.25	-102.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1C	REAL300000300191	0	37	-2.0	-120.62	328.56	7.09	-113.53
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300192	0	37	-2.0	-108.66	321.89	4.80	-103.86
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300193	1	39	-2.0	-114.25	361.81	1.92	-112.33
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300000300194	1	39	-2.0	-107.91	346.18	7.77	-100.14
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000300196	1	37	-2.0	-105.55	339.96	6.42	-99.13
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000300197	1	38	-2.0	-109.76	341.63	4.04	-105.72
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300000300198	1	36	-2.0	-110.70	339.43	0.72	-109.98
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300202	0	40	-2.0	-118.69	357.35	7.43	-111.26
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000300203	1	35	-2.0	-109.75	319.70	2.54	-107.21
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000300206	1	37	-2.0	-112.94	331.15	8.04	-104.90
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=CS1	REAL300000300207	0	34	-2.0	-119.52	324.78	6.06	-113.46
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000300210	0	38	-2.0	-104.49	343.06	6.51	-97.98
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000300215	0	31	-2.0	-114.40	290.69	5.80	-108.60
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)C2	REAL300000300217	0	36	-2.0	-107.54	340.32	4.75	-102.79
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000300218	1	36	-2.0	-106.43	327.58	6.25	-100.18
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300219	0	37	-2.0	-124.38	339.34	4.25	-120.13
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)=C2N=C1	REAL300000300220	0	39	-2.0	-125.64	346.55	7.02	-118.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(Cl)=C1	REAL300000300222	1	34	-2.0	-111.32	319.74	6.98	-104.34
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300000300223	0	35	-2.0	-112.51	329.95	6.01	-106.50
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300000300225	1	36	-2.0	-114.06	339.39	0.70	-113.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C([N+](=O)[O-])=C1	REAL300000300227	0	37	-2.0	-116.97	335.74	6.46	-110.51
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300000300228	1	38	-2.0	-104.62	351.04	5.01	-99.61
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300000300230	1	37	-2.0	-107.48	339.33	5.71	-101.77
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300000300231	1	35	-2.0	-105.02	331.19	5.54	-99.48
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300000300232	1	37	-2.0	-114.41	345.89	3.28	-111.13
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000300234	1	39	-2.0	-110.03	361.80	1.93	-108.10
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300000300235	1	41	-2.0	-113.24	355.01	9.63	-103.61
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000300236	1	31	-2.0	-103.86	304.73	6.38	-97.48
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300000300237	1	43	-2.0	-116.87	371.12	5.09	-111.78
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000300238	0	38	-2.0	-120.05	346.75	4.71	-115.34
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300000300239	1	37	-2.0	-117.09	345.91	3.26	-113.83
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300000300240	1	40	-2.0	-110.81	359.40	8.45	-102.36
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300000300241	1	42	-2.0	-113.61	380.81	3.74	-109.87
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1OC	REAL300000300243	0	39	-2.0	-110.45	349.41	5.02	-105.43
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000300245	0	35	-2.0	-101.52	320.51	5.64	-95.88
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000300245	1	34	-3.0	-173.70	320.30	5.67	-168.03
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000300246	0	31	-2.0	-116.86	303.74	5.26	-111.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(Br)=C1	REAL300000300247	1	34	-2.0	-110.69	323.10	7.13	-103.56
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000300248	1	36	-2.0	-108.47	327.14	1.91	-106.56
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000300249	0	38	-2.0	-120.26	334.35	4.70	-115.56
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300250	0	37	-2.0	-113.09	353.06	6.98	-106.11
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300000300258	1	47	-2.0	-115.19	394.36	8.97	-106.22
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300000300259	1	36	-2.0	-99.36	328.91	7.20	-92.16
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CN1C	REAL300000300260	1	39	-2.0	-108.91	349.08	3.42	-105.49
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300261	1	34	-2.0	-107.51	317.40	7.05	-100.46
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=N2)C=C1	REAL300000300263	0	41	-2.0	-107.94	367.17	7.54	-100.40
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C3=C2C1=CC=C3	REAL300000300267	1	39	-2.0	-109.61	348.74	5.61	-104.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300268	0	33	-3.0	-164.49	322.77	5.99	-158.50
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000300269	1	32	-2.0	-100.66	321.41	6.56	-94.10
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000300270	1	32	-2.0	-101.29	321.43	6.56	-94.73
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000300271	0	40	-2.0	-121.94	348.35	7.74	-114.20
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000300272	1	35	-2.0	-115.16	323.56	6.12	-109.04
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C2=CC=CN=C12	REAL300000300273	1	40	-2.0	-112.36	350.50	5.52	-106.84
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000300275	0	31	-2.0	-111.09	306.86	6.30	-104.79
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300277	0	37	-2.0	-104.85	341.66	6.22	-98.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C2=CC=CC=C12	REAL300000300278	1	41	-2.0	-115.64	354.56	7.41	-108.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000300279	1	34	-2.0	-107.56	311.93	6.45	-101.11
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300000300281	0	31	-2.0	-103.75	325.54	7.58	-96.17
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300282	0	34	-2.0	-114.55	312.09	6.48	-108.07
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300283	1	34	-2.0	-107.72	307.08	6.60	-101.12
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300000300284	0	36	-2.0	-121.76	323.59	8.10	-113.66
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300000300285	0	39	-2.0	-111.11	350.50	4.99	-106.12
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300000300286	0	35	-2.0	-105.42	331.79	7.54	-97.88
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300000300287	1	41	-2.0	-120.02	357.33	5.60	-114.42
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000300291	0	31	-2.0	-119.17	305.12	5.33	-113.84
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000300291	1	30	-3.0	-170.95	305.31	5.36	-165.59
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl	REAL300000300292	0	34	-2.0	-112.16	327.54	7.65	-104.51
COC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)=CC(C(=O)[O-])=C1OC	REAL300000300293	0	42	-2.0	-101.61	370.30	6.04	-95.57
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300294	1	40	-2.0	-117.28	361.38	4.06	-113.22
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000300295	0	38	-2.0	-105.44	339.30	6.29	-99.15
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300000300297	0	28	-2.0	-108.69	297.50	5.32	-103.37
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000300300	0	33	-2.0	-115.68	310.14	7.20	-108.48
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300301	0	45	-2.0	-120.40	395.63	4.57	-115.83
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000300302	0	44	-2.0	-120.66	365.75	8.51	-112.15
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000300303	0	43	-2.0	-118.63	364.85	7.88	-110.75
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300305	0	40	-2.0	-118.47	365.22	4.27	-114.20
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300306	1	42	-2.0	-119.59	375.94	5.42	-114.17
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300000300309	1	42	-2.0	-120.22	373.26	5.72	-114.50
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300310	0	35	-2.0	-113.60	316.38	4.12	-109.48
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300310	1	35	-2.0	-107.06	310.60	4.97	-102.09
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1C	REAL300000300311	0	40	-2.0	-119.17	340.76	7.36	-111.81
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000300312	0	34	-2.0	-112.88	324.72	6.66	-106.22
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300000300313	1	44	-2.0	-116.21	385.01	9.59	-106.62
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300314	0	40	-3.0	-183.22	364.08	6.89	-176.33
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1C	REAL300000300314	1	41	-2.0	-124.24	361.48	6.35	-117.89
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000300315	0	36	-3.0	-183.72	340.51	6.80	-176.92
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300316	0	34	-2.0	-103.57	333.07	5.51	-98.06
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000300317	0	41	-2.0	-121.59	354.71	7.75	-113.84
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300000300318	1	37	-2.0	-112.79	350.30	3.28	-109.51
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1C	REAL300000300319	0	39	-2.0	-120.74	345.37	8.41	-112.33
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000300320	1	35	-2.0	-103.00	323.01	6.13	-96.87
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000300321	0	31	-2.0	-107.76	300.11	6.10	-101.66
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300322	0	41	-2.0	-117.41	381.31	4.66	-112.75
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300323	0	41	-2.0	-108.41	378.70	4.71	-103.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000300324	0	33	-3.0	-168.22	316.67	5.44	-162.78
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000300324	1	34	-2.0	-114.66	314.67	4.98	-109.68
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000300325	0	34	-2.0	-130.17	313.39	4.95	-125.22
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300326	0	37	-2.0	-115.31	345.45	6.45	-108.86
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300327	0	41	-2.0	-118.89	356.72	7.14	-111.75
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000300329	1	47	-2.0	-109.12	396.16	7.47	-101.65
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300000300331	0	33	-2.0	-121.40	318.92	7.91	-113.49
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000300332	1	36	-2.0	-120.63	333.53	5.92	-114.71
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C2=CC=CC=C12	REAL300000300333	1	44	-2.0	-115.06	376.42	8.34	-106.72
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000300334	0	40	-2.0	-106.11	354.25	6.01	-100.10
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300000300335	1	35	-2.0	-104.21	341.57	7.22	-96.99
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(Br)=C1	REAL300000300336	0	30	-2.0	-101.44	301.54	4.54	-96.90
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1F	REAL300000300339	0	37	-2.0	-119.92	351.37	3.34	-116.58
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000300340	0	33	-2.0	-125.05	311.21	7.38	-117.67
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300341	0	37	-3.0	-177.26	342.57	5.41	-171.85
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300341	1	38	-2.0	-104.39	339.79	4.91	-99.48
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000300342	0	42	-2.0	-97.20	365.75	6.85	-90.35
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000300343	0	38	-2.0	-108.32	345.77	6.87	-101.45
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300000300344	0	41	-2.0	-108.15	371.17	7.31	-100.84
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000300346	0	30	-2.0	-101.28	286.62	4.03	-97.25
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000300347	0	38	-2.0	-106.29	359.25	7.05	-99.24
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300000300348	0	31	-2.0	-109.32	311.98	6.45	-102.87
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300000300350	1	41	-2.0	-107.88	365.45	6.66	-101.22
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300351	0	34	-2.0	-108.86	333.24	5.41	-103.45
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300352	1	39	-2.0	-107.21	342.94	8.13	-99.08
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300000300353	1	36	-2.0	-111.41	321.36	6.17	-105.24
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300000300354	0	37	-2.0	-110.87	358.04	6.52	-104.35
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000300355	0	30	-2.0	-102.28	310.34	4.89	-97.39
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000300356	0	41	-2.0	-104.92	363.21	7.22	-97.70
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=C12	REAL300000300358	1	39	-2.0	-104.70	351.52	5.47	-99.23
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=C12	REAL300000300359	0	35	-2.0	-100.86	324.94	2.75	-98.11
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000300361	0	31	-2.0	-111.89	296.97	5.87	-106.02
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000300362	0	35	-2.0	-112.90	323.19	5.35	-107.55
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300363	0	37	-2.0	-118.04	347.10	7.67	-110.37
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300000300364	0	33	-2.0	-115.62	320.44	7.64	-107.98
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000300365	0	37	-2.0	-112.92	333.96	7.13	-105.79
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000300365	1	36	-3.0	-167.26	334.37	7.13	-160.13
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000300366	0	37	-2.0	-115.78	328.32	5.40	-110.38
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CN1C	REAL300000300367	0	34	-2.0	-118.78	308.73	4.64	-114.14
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000300368	0	38	-2.0	-108.90	349.44	6.58	-102.32
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000300369	0	35	-2.0	-112.67	323.21	5.79	-106.88
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300370	1	40	-2.0	-113.29	361.85	7.33	-105.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000300371	0	34	-2.0	-107.45	311.27	4.32	-103.13
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000300372	1	43	-2.0	-104.79	383.32	8.14	-96.65
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300000300373	0	39	-2.0	-102.11	354.87	3.17	-98.94
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300374	1	38	-2.0	-112.39	340.26	5.47	-106.92
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300375	0	37	-2.0	-118.02	336.78	7.21	-110.81
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300000300376	0	39	-2.0	-116.89	350.76	6.34	-110.55
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300000300377	0	34	-2.0	-108.79	329.41	6.82	-101.97
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300000300378	1	34	-2.0	-105.25	317.46	7.19	-98.06
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300000300379	0	31	-2.0	-108.61	317.29	5.85	-102.76
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000300380	0	41	-2.0	-105.89	361.23	7.22	-98.67
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000300381	1	36	-2.0	-108.71	321.17	5.06	-103.65
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CC=C1F	REAL300000300382	1	40	-2.0	-103.28	366.41	7.34	-95.94
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000300383	0	31	-2.0	-107.15	304.73	6.39	-100.76
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=C2)=CO1	REAL300000300384	1	40	-2.0	-112.89	361.59	4.81	-108.08
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000300386	1	35	-2.0	-104.20	329.49	2.60	-101.60
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300387	1	35	-2.0	-112.24	314.69	5.05	-107.19
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300389	0	37	-2.0	-112.74	345.57	4.02	-108.72
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300389	1	36	-3.0	-168.46	342.57	2.90	-165.56
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C(F)C=C1F	REAL300000300391	0	37	-2.0	-103.58	350.00	6.50	-97.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000300392	0	34	-2.0	-113.94	312.11	6.49	-107.45
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000300393	1	35	-2.0	-106.12	343.82	6.17	-99.95
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)O1	REAL300000300395	0	34	-2.0	-103.70	324.74	4.54	-99.16
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000300396	0	36	-2.0	-125.78	325.14	6.38	-119.40
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300397	1	43	-2.0	-113.45	372.54	4.69	-108.76
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])S1	REAL300000300398	0	34	-2.0	-117.88	322.81	6.18	-111.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])S1	REAL300000300398	1	33	-3.0	-172.88	323.35	6.19	-166.69
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1C	REAL300000300399	1	40	-2.0	-112.25	349.52	7.07	-105.18
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300400	0	35	-2.0	-112.36	327.80	5.61	-106.75
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300000300401	0	33	-2.0	-101.75	315.85	4.97	-96.78
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300402	0	37	-2.0	-117.57	343.36	3.34	-114.23
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=C21	REAL300000300407	1	42	-2.0	-131.16	364.38	6.80	-124.36
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300408	0	43	-2.0	-108.90	363.30	6.39	-102.51
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)SC=C1	REAL300000300409	0	31	-2.0	-110.62	294.75	5.48	-105.14
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300410	1	37	-2.0	-107.26	356.72	6.92	-100.34
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1C	REAL300000300411	0	40	-2.0	-108.71	344.63	5.69	-103.02
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1C	REAL300000300412	1	40	-2.0	-105.70	356.00	6.94	-98.76
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300000300413	1	36	-2.0	-99.73	332.10	7.04	-92.69
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000300414	1	39	-2.0	-122.00	344.78	4.20	-117.80
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300416	1	35	-2.0	-107.93	321.46	6.92	-101.01
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1F	REAL300000300418	0	36	-2.0	-108.43	337.58	7.10	-101.33
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=C21	REAL300000300422	1	45	-2.0	-131.52	378.17	7.39	-124.13
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300423	0	35	-2.0	-111.91	322.87	6.23	-105.68
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000300428	0	32	-2.0	-106.16	311.48	6.21	-99.95
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=C2O1	REAL300000300429	1	36	-2.0	-107.88	328.85	3.41	-104.47
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000300430	0	37	-2.0	-107.37	329.95	4.84	-102.53
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1S(N)(=O)=O	REAL300000300431	0	36	-2.0	-127.68	327.71	2.21	-125.47
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000300433	0	37	-2.0	-113.14	344.57	4.52	-108.62
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000300434	0	37	-2.0	-115.87	329.00	4.20	-111.67
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1[N+](=O)[O-]	REAL300000300435	0	34	-2.0	-112.61	324.49	7.53	-105.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=NN1C1=CC=CC=N1	REAL300000300436	0	40	-2.0	-112.19	359.76	6.99	-105.20
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000300438	1	31	-2.0	-95.93	304.19	5.94	-89.99
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300000300439	1	42	-2.0	-107.81	367.81	7.60	-100.21
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CN1C	REAL300000300441	1	38	-2.0	-113.03	346.36	5.87	-107.16
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000300443	0	34	-2.0	-100.54	323.89	6.42	-94.12
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000300443	1	33	-3.0	-159.92	326.72	6.88	-153.04
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000300444	0	34	-2.0	-109.83	316.47	6.26	-103.57
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000300444	1	33	-3.0	-160.83	318.19	6.34	-154.49
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300000300445	1	39	-2.0	-119.36	351.67	5.16	-114.20
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300000300446	0	38	-2.0	-111.37	350.16	7.02	-104.35
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300447	0	31	-2.0	-109.45	319.39	6.12	-103.33
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300000300448	1	31	-2.0	-101.43	312.21	6.42	-95.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(Cl)=C1Cl	REAL300000300452	1	35	-2.0	-107.99	342.27	6.12	-101.87
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000300453	0	42	-2.0	-112.87	372.94	6.51	-106.36
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300000300454	0	34	-2.0	-104.72	330.01	3.82	-100.90
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000300455	0	30	-3.0	-163.26	305.92	5.44	-157.82
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000300456	0	40	-2.0	-117.51	349.74	7.03	-110.48
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000300457	0	34	-2.0	-115.82	318.50	6.30	-109.52
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000300457	1	33	-3.0	-166.28	320.07	6.39	-159.89
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000300458	0	36	-3.0	-175.05	339.42	7.00	-168.05
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000300458	1	37	-2.0	-95.94	337.27	6.56	-89.38
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000300459	1	45	-2.0	-107.25	378.00	7.82	-99.43
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000300460	0	37	-3.0	-164.23	353.96	6.94	-157.29
COC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000300460	1	38	-2.0	-105.20	350.85	6.49	-98.71
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CN1	REAL300000300461	1	35	-2.0	-110.69	328.59	4.10	-106.59
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000300462	0	33	-3.0	-161.27	319.11	6.40	-154.87
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000300462	1	34	-2.0	-103.35	316.94	5.93	-97.42
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000300463	0	34	-2.0	-105.45	324.44	6.61	-98.84
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000300464	1	34	-2.0	-106.93	305.58	6.57	-100.36
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CS1	REAL300000300467	0	34	-2.0	-109.39	332.47	5.43	-103.96
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CC=C1F	REAL300000300468	1	37	-2.0	-103.11	344.54	6.43	-96.68
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300469	0	33	-2.0	-106.23	309.47	4.37	-101.86
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300000300471	1	39	-2.0	-98.84	343.69	8.10	-90.74
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)=CC=C1[O-]	REAL300000300472	1	39	-2.0	-103.86	345.67	2.62	-101.24
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000300473	0	37	-2.0	-113.81	342.73	7.54	-106.27
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000300473	1	36	-3.0	-169.28	343.10	7.52	-161.76
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300475	0	31	-2.0	-103.79	318.39	6.07	-97.72
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300000300477	0	34	-2.0	-106.83	340.84	7.70	-99.13
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300478	1	34	-2.0	-107.16	313.02	6.47	-100.69
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000300479	0	42	-2.0	-105.93	375.75	7.63	-98.30
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000300479	1	41	-3.0	-159.25	377.39	7.73	-151.52
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300480	0	37	-2.0	-104.66	343.09	5.21	-99.45
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000300482	0	36	-2.0	-111.66	340.88	6.89	-104.77
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000300482	1	35	-3.0	-160.34	341.85	6.99	-153.35
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300000300483	0	34	-2.0	-111.22	338.54	7.62	-103.60
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300484	0	41	-2.0	-119.99	368.13	6.22	-113.77
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300485	1	43	-2.0	-114.70	371.97	7.73	-106.97
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C(F)C=C1F	REAL300000300487	0	34	-2.0	-106.21	317.41	6.51	-99.70
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300000300488	0	37	-2.0	-117.91	336.98	8.83	-109.08
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000300489	1	37	-2.0	-118.29	326.24	8.07	-110.22
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000300490	0	33	-2.0	-107.36	317.18	5.22	-102.14
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl	REAL300000300491	0	36	-2.0	-106.60	345.21	7.60	-99.00
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300492	0	38	-2.0	-111.64	363.05	4.84	-106.80
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000300494	0	34	-3.0	-176.62	323.37	4.01	-172.61
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000300494	1	34	-3.0	-174.08	317.57	4.88	-169.20
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000300496	0	37	-2.0	-102.89	334.26	7.02	-95.87
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000300497	1	38	-2.0	-110.49	355.08	5.27	-105.22
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)O1	REAL300000300498	0	37	-2.0	-103.77	346.60	5.48	-98.29
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000300499	0	33	-2.0	-99.79	319.83	6.50	-93.29
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300500	0	36	-2.0	-119.71	338.75	6.73	-112.98
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300000300501	1	43	-2.0	-109.26	375.91	7.28	-101.98
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C	REAL300000300502	1	36	-2.0	-102.63	340.93	7.58	-95.05
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)SC=C1	REAL300000300503	0	32	-2.0	-118.39	307.36	4.05	-114.34
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300504	1	40	-2.0	-116.57	367.36	4.17	-112.40
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)OC2=CC=C(F)C=C12	REAL300000300505	0	37	-2.0	-108.47	341.98	6.85	-101.62
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000300506	0	34	-2.0	-111.25	314.96	6.14	-105.11
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2N=C(C)C=CC2=CC=C1	REAL300000300507	0	39	-2.0	-127.48	346.71	6.98	-120.50
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C2=CC(Cl)=CC=C2S1	REAL300000300508	0	37	-2.0	-111.09	352.90	8.65	-102.44
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C(Br)S1	REAL300000300510	1	31	-2.0	-103.59	316.38	6.26	-97.33
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300000300511	1	37	-2.0	-110.09	340.61	8.48	-101.61
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CC(F)=C1F	REAL300000300512	1	37	-2.0	-98.38	350.81	6.50	-91.88
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)SC2=CC=CC(F)=C12	REAL300000300513	0	37	-2.0	-113.26	344.08	7.86	-105.40
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300000300514	1	32	-2.0	-101.58	327.31	6.75	-94.83
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1F	REAL300000300515	0	36	-2.0	-108.22	339.22	7.13	-101.09
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300516	0	33	-2.0	-114.32	318.44	4.51	-109.81
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=NC2=C1Cl	REAL300000300517	0	36	-2.0	-99.97	346.19	5.71	-94.26
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300000300518	0	31	-2.0	-114.03	304.83	6.68	-107.35
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300000300519	1	33	-2.0	-102.69	333.47	5.65	-97.04
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000300520	0	31	-2.0	-99.91	301.24	4.67	-95.24
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000300521	0	31	-2.0	-112.55	305.37	4.58	-107.97
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300522	1	39	-2.0	-112.90	344.18	4.37	-108.53
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000300523	0	34	-2.0	-98.53	332.77	6.75	-91.78
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000300524	0	32	-2.0	-114.04	301.03	4.50	-109.54
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300000300525	0	39	-2.0	-122.32	335.48	8.59	-113.73
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)S2)=CS1	REAL300000300526	0	37	-2.0	-109.08	364.65	6.31	-102.77
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000300527	0	32	-2.0	-101.49	307.42	3.57	-97.92
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300528	0	30	-2.0	-106.01	293.73	3.58	-102.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CC=C1Cl	REAL300000300529	1	37	-2.0	-103.14	352.52	6.79	-96.35
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C	REAL300000300530	1	36	-2.0	-101.84	332.99	7.24	-94.60
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000300531	0	37	-2.0	-101.59	323.10	6.97	-94.62
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000300533	1	38	-2.0	-127.67	349.80	3.62	-124.05
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000300534	0	37	-2.0	-126.09	336.91	6.88	-119.21
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000300535	0	37	-2.0	-107.83	328.59	7.10	-100.73
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300536	0	37	-2.0	-116.08	344.21	6.89	-109.19
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C(C)N1	REAL300000300538	1	44	-2.0	-109.57	381.21	6.44	-103.13
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000300539	0	34	-2.0	-109.35	317.41	6.53	-102.82
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CC=C1[N+](=O)[O-]	REAL300000300540	0	37	-2.0	-99.71	340.73	6.49	-93.22
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000300541	0	40	-2.0	-102.26	349.43	7.43	-94.83
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300000300542	1	37	-2.0	-119.19	342.94	8.56	-110.63
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300000300543	1	37	-2.0	-109.59	350.31	3.29	-106.30
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000300544	0	36	-2.0	-132.79	338.72	7.32	-125.47
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000300544	1	35	-3.0	-173.00	340.24	7.41	-165.59
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000300545	0	34	-2.0	-106.86	330.53	7.25	-99.61
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000300547	0	33	-3.0	-164.49	325.41	6.45	-158.04
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1	REAL300000300548	1	36	-2.0	-100.64	338.25	7.09	-93.55
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000300549	0	30	-2.0	-107.48	304.20	5.19	-102.29
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000300550	0	37	-2.0	-116.92	330.80	6.13	-110.79
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000300551	0	36	-2.0	-101.80	335.93	4.58	-97.22
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000300552	0	30	-2.0	-100.01	310.62	4.93	-95.08
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)C(C)=C1C(=O)[O-]	REAL300000300553	0	40	-2.0	-105.58	347.03	7.69	-97.89
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300000300554	1	42	-2.0	-110.42	370.97	7.67	-102.75
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000300555	0	36	-3.0	-176.01	338.97	7.00	-169.01
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000300555	1	37	-2.0	-96.91	336.83	6.56	-90.35
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000300556	0	36	-3.0	-174.15	345.42	7.46	-166.69
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000300556	1	37	-2.0	-111.38	342.60	6.99	-104.39
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300557	0	36	-3.0	-181.01	338.71	7.00	-174.01
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300557	1	37	-2.0	-127.35	336.64	6.56	-120.79
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300000300558	0	31	-2.0	-98.36	312.43	6.24	-92.12
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300559	1	39	-2.0	-120.29	348.29	7.01	-113.28
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000300560	0	38	-2.0	-105.87	344.95	3.37	-102.50
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C([N+](=O)[O-])=N1	REAL300000300561	0	36	-2.0	-114.41	335.51	6.59	-107.82
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300000300562	0	31	-2.0	-106.43	308.09	6.53	-99.90
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Br	REAL300000300563	1	34	-2.0	-111.83	319.88	7.04	-104.79
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000300564	0	40	-2.0	-124.35	346.32	7.41	-116.94
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000300565	0	42	-2.0	-107.56	362.35	4.28	-103.28
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300000300568	0	34	-2.0	-102.90	337.07	7.31	-95.59
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1C	REAL300000300569	0	37	-2.0	-105.42	330.65	5.81	-99.61
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000300570	0	40	-2.0	-109.75	358.19	7.39	-102.36
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300571	0	37	-2.0	-116.80	332.52	6.51	-110.29
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000300572	0	39	-2.0	-105.92	343.24	3.49	-102.43
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300574	0	39	-2.0	-108.33	360.38	7.78	-100.55
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1F	REAL300000300575	0	34	-2.0	-115.20	311.01	6.46	-108.74
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000300576	1	37	-2.0	-103.51	334.23	3.37	-100.14
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000300577	0	38	-2.0	-119.53	331.14	5.77	-113.76
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=C1CC(=O)[O-]	REAL300000300578	0	41	-2.0	-105.66	362.62	6.37	-99.29
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300580	0	36	-2.0	-114.39	324.46	2.75	-111.64
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300000300581	0	34	-2.0	-112.43	317.06	6.89	-105.54
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C(C)O1	REAL300000300582	0	34	-2.0	-108.37	308.15	5.33	-103.04
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300000300583	0	37	-2.0	-114.73	331.45	3.41	-111.32
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300586	1	40	-2.0	-106.40	368.26	7.39	-99.01
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300587	1	38	-2.0	-109.21	331.79	5.80	-103.41
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C(C(=O)OC)O1	REAL300000300588	0	40	-2.0	-105.19	362.18	6.15	-99.04
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300590	0	34	-2.0	-110.31	318.84	6.16	-104.15
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300000300592	0	39	-2.0	-125.75	339.00	7.56	-118.19
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000300593	1	37	-2.0	-120.41	334.47	7.77	-112.64
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C2=CC=CC=C12	REAL300000300594	1	44	-2.0	-124.84	378.63	7.10	-117.74
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300000300595	1	37	-2.0	-101.51	353.81	3.84	-97.67
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300596	0	37	-2.0	-113.68	338.58	7.17	-106.51
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000300597	0	33	-2.0	-97.59	317.94	6.44	-91.15
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000300598	0	37	-2.0	-98.26	336.21	7.04	-91.22
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000300598	1	36	-3.0	-165.33	339.91	7.49	-157.84
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000300599	1	31	-2.0	-101.71	308.35	6.35	-95.36
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C(C)O1	REAL300000300600	0	37	-2.0	-105.14	343.06	5.31	-99.83
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000300601	0	30	-2.0	-101.54	296.96	4.45	-97.09
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000300602	0	37	-2.0	-122.54	343.31	7.19	-115.35
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)N=C1C	REAL300000300603	0	37	-2.0	-118.56	330.80	5.55	-113.01
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300604	1	34	-2.0	-111.24	323.10	7.12	-104.12
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300605	0	34	-2.0	-111.92	319.74	6.98	-104.94
CCN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000300606	0	38	-2.0	-120.56	341.87	6.53	-114.03
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000300606	1	37	-3.0	-175.14	341.68	6.52	-168.62
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300607	0	34	-2.0	-107.95	325.08	4.49	-103.46
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300608	0	43	-2.0	-109.85	364.67	6.32	-103.53
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CN1C	REAL300000300609	1	41	-2.0	-112.58	368.23	6.77	-105.81
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300610	1	39	-2.0	-104.94	344.88	7.68	-97.26
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000300611	0	31	-2.0	-114.70	301.25	6.55	-108.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(Cl)=N1	REAL300000300612	0	33	-2.0	-108.98	315.09	5.07	-103.91
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300613	0	36	-2.0	-109.34	334.23	5.96	-103.38
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300000300614	0	38	-2.0	-110.43	350.25	6.95	-103.48
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000300615	1	35	-2.0	-106.63	340.41	7.22	-99.41
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300616	0	33	-2.0	-105.72	315.21	4.33	-101.39
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=C12	REAL300000300617	0	38	-2.0	-100.24	346.43	3.47	-96.77
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300618	0	33	-2.0	-104.48	323.32	6.09	-98.39
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CN=C1Cl	REAL300000300619	0	34	-2.0	-99.89	326.05	3.70	-96.19
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)=CC=C21	REAL300000300620	1	40	-2.0	-107.38	361.13	6.71	-100.67
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000300622	0	33	-2.0	-99.85	320.70	5.08	-94.77
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300623	1	37	-2.0	-106.87	346.40	6.48	-100.39
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000300624	0	46	-2.0	-101.66	373.25	8.55	-93.11
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300625	0	46	-2.0	-109.03	383.59	7.20	-101.83
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000300627	0	32	-2.0	-103.93	319.09	6.72	-97.21
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000300628	0	34	-2.0	-118.39	313.13	6.06	-112.33
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300629	0	36	-2.0	-106.35	335.17	4.61	-101.74
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300630	0	42	-2.0	-118.86	375.34	5.85	-113.01
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000300631	0	28	-2.0	-103.41	289.58	4.47	-98.94
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C(C2=CC=CC=C2)S1	REAL300000300632	0	40	-2.0	-116.65	366.51	7.31	-109.34
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C(C2=CC=CC=C2)O1	REAL300000300633	0	40	-2.0	-119.24	361.24	4.71	-114.53
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300000300634	1	39	-2.0	-108.58	347.60	7.83	-100.75
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300635	1	41	-2.0	-117.13	348.78	7.50	-109.63
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300637	1	43	-2.0	-113.82	377.28	8.11	-105.71
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300000300638	0	31	-2.0	-102.60	320.36	6.86	-95.74
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300639	0	31	-2.0	-103.45	314.17	5.97	-97.48
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(OC)=C1	REAL300000300640	0	41	-2.0	-111.31	368.17	6.22	-105.09
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000300641	1	34	-2.0	-109.87	317.38	6.62	-103.25
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300000300642	0	34	-2.0	-105.03	329.44	6.82	-98.21
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300643	1	34	-2.0	-107.22	327.91	7.03	-100.19
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000300644	0	34	-2.0	-106.85	323.12	4.65	-102.20
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300645	1	35	-2.0	-116.89	321.28	6.81	-110.08
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300000300646	0	42	-2.0	-130.49	368.84	5.61	-124.88
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)F)=C1	REAL300000300647	1	34	-2.0	-111.02	330.57	2.97	-108.05
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300000300648	0	39	-2.0	-104.22	354.65	7.03	-97.19
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(C)=CS1	REAL300000300650	0	37	-2.0	-119.53	340.42	6.94	-112.59
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CC=C1F	REAL300000300651	1	35	-2.0	-103.23	320.93	5.11	-98.12
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300652	0	39	-2.0	-117.38	358.56	7.81	-109.57
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000300653	1	36	-2.0	-104.95	329.57	4.89	-100.06
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000300654	0	30	-2.0	-101.46	306.36	5.53	-95.93
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300000300657	1	34	-2.0	-101.22	340.67	7.25	-93.97
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300658	0	42	-2.0	-128.65	367.41	4.14	-124.51
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1[N+](=O)[O-]	REAL300000300659	1	37	-2.0	-98.74	348.67	6.59	-92.15
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000300660	0	35	-2.0	-112.60	313.32	5.19	-107.41
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000300661	0	32	-2.0	-107.56	319.13	6.71	-100.85
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000300662	0	34	-2.0	-107.59	329.15	4.82	-102.77
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300664	0	39	-2.0	-123.56	339.17	6.27	-117.29
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1F	REAL300000300666	0	34	-2.0	-114.88	304.79	6.71	-108.17
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000300668	0	35	-2.0	-122.67	323.60	5.82	-116.85
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300669	0	44	-2.0	-108.93	375.39	7.21	-101.72
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300000300670	0	31	-2.0	-106.71	311.98	6.45	-100.26
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C(C)C=CN=C12	REAL300000300671	0	39	-2.0	-125.62	343.08	6.93	-118.69
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000300672	1	35	-2.0	-113.42	336.45	3.04	-110.38
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000300673	0	32	-2.0	-116.32	309.96	4.07	-112.25
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300674	0	34	-2.0	-106.74	309.79	3.23	-103.51
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300000300675	0	31	-2.0	-110.77	311.27	6.41	-104.36
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1OC	REAL300000300676	1	41	-2.0	-106.31	367.28	6.45	-99.86
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300678	0	41	-2.0	-123.91	374.14	3.05	-120.86
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300680	0	37	-2.0	-109.20	335.60	7.03	-102.17
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000300681	0	37	-2.0	-98.09	345.82	7.29	-90.80
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300000300682	1	41	-2.0	-109.76	356.76	5.57	-104.19
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300683	0	40	-2.0	-123.71	352.30	8.08	-115.63
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300684	0	39	-2.0	-113.98	331.92	3.89	-110.09
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300000300685	0	37	-2.0	-118.47	346.41	7.30	-111.17
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300686	0	34	-2.0	-113.30	330.15	3.25	-110.05
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300686	1	33	-3.0	-168.08	326.88	2.12	-165.96
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000300687	1	38	-2.0	-109.94	346.10	4.76	-105.18
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1OC	REAL300000300688	0	39	-2.0	-108.36	357.00	5.52	-102.84
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300000300689	1	35	-2.0	-105.89	330.67	5.39	-100.50
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000300690	1	34	-2.0	-99.94	329.53	6.80	-93.14
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300000300691	0	36	-2.0	-111.24	341.99	1.36	-109.88
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000300692	1	35	-2.0	-112.67	314.49	7.03	-105.64
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1C	REAL300000300693	1	42	-2.0	-110.29	376.56	2.84	-107.45
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000300694	1	35	-2.0	-116.18	327.45	6.91	-109.27
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000300695	0	31	-2.0	-104.54	315.06	6.82	-97.72
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(N)=NO1	REAL300000300697	0	32	-2.0	-100.17	292.73	3.12	-97.05
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C)OCC(=O)N2	REAL300000300698	0	41	-2.0	-113.88	364.16	2.77	-111.11
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300000300699	0	31	-2.0	-102.95	315.21	7.15	-95.80
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300700	0	35	-2.0	-113.62	330.18	6.07	-107.55
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000300701	1	32	-2.0	-105.73	312.69	4.52	-101.21
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300702	1	38	-2.0	-112.75	330.16	5.82	-106.93
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300000300703	1	32	-2.0	-100.62	325.70	6.64	-93.98
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300000300705	0	33	-2.0	-101.54	335.09	6.98	-94.56
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000300706	0	29	-2.0	-101.34	297.70	5.29	-96.05
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300000300707	0	33	-2.0	-97.86	331.36	6.85	-91.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000300708	1	33	-2.0	-107.29	301.80	4.60	-102.69
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000300709	0	36	-2.0	-109.70	326.38	6.11	-103.59
COC1=CC(Cl)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000300710	0	38	-2.0	-116.78	350.86	6.50	-110.28
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000300710	1	37	-3.0	-178.03	353.98	6.95	-171.08
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000300711	0	37	-2.0	-108.26	345.43	6.48	-101.78
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000300712	1	37	-2.0	-104.48	344.52	6.43	-98.05
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300713	0	39	-2.0	-120.00	361.34	7.61	-112.39
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CC=C1C#N	REAL300000300714	1	35	-2.0	-103.23	325.18	6.64	-96.59
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000300715	0	30	-2.0	-96.32	302.93	4.43	-91.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000300716	0	35	-2.0	-111.46	320.16	5.12	-106.34
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300000300717	0	39	-2.0	-122.06	346.13	9.08	-112.98
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300000300720	0	35	-2.0	-115.45	332.96	6.62	-108.83
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000300722	1	41	-2.0	-114.58	359.41	9.16	-105.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)N(C)N=C1	REAL300000300724	0	34	-2.0	-102.63	302.07	4.22	-98.41
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300725	0	40	-2.0	-114.64	367.31	7.38	-107.26
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CN1C	REAL300000300726	1	43	-2.0	-110.30	387.20	6.97	-103.33
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000300727	0	29	-2.0	-101.75	289.10	4.29	-97.46
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C(F)C=C1C	REAL300000300728	0	43	-2.0	-109.32	383.34	7.94	-101.38
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300729	1	45	-2.0	-120.18	396.74	3.95	-116.23
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300730	0	42	-2.0	-119.01	368.52	5.27	-113.74
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000300731	0	37	-2.0	-104.27	328.34	6.80	-97.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000300732	1	34	-2.0	-103.66	312.39	2.44	-101.22
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000300733	0	31	-2.0	-109.49	307.42	6.34	-103.15
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300734	0	40	-2.0	-112.06	362.73	8.52	-103.54
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300000300735	0	40	-2.0	-111.82	358.56	8.22	-103.60
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300000300736	0	34	-2.0	-108.38	327.79	7.66	-100.72
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000300737	0	34	-2.0	-111.57	321.70	7.10	-104.47
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)N(C)N=C1	REAL300000300739	0	40	-2.0	-109.83	356.27	5.76	-104.07
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300740	0	44	-2.0	-119.53	390.00	7.12	-112.41
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300000300742	0	42	-2.0	-121.79	362.91	6.98	-114.81
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300000300743	1	35	-2.0	-99.91	341.84	6.92	-92.99
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000300744	0	34	-2.0	-114.58	311.80	4.39	-110.19
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300000300745	0	32	-2.0	-113.57	322.97	6.54	-107.03
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300747	1	38	-2.0	-112.31	336.55	5.97	-106.34
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000300748	0	31	-2.0	-110.97	307.53	6.63	-104.34
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=C2C=C1	REAL300000300749	1	40	-2.0	-112.51	352.49	8.70	-103.81
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000300750	0	28	-2.0	-109.62	293.18	5.21	-104.41
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300751	1	40	-2.0	-107.31	369.42	7.60	-99.71
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300752	0	31	-2.0	-108.49	298.77	5.42	-103.07
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000300754	0	28	-2.0	-105.50	283.48	2.57	-102.93
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300000300755	0	36	-2.0	-117.38	339.71	6.80	-110.58
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000300756	0	30	-2.0	-103.96	292.12	3.87	-100.09
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300757	1	38	-2.0	-106.11	353.43	6.05	-100.06
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000300758	0	40	-2.0	-104.46	349.73	4.82	-99.64
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000300759	1	40	-2.0	-104.02	354.37	4.31	-99.71
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000300760	0	38	-3.0	-169.29	356.91	8.51	-160.78
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000300763	0	34	-2.0	-105.72	321.38	6.21	-99.51
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300000300764	0	34	-2.0	-111.78	336.50	7.82	-103.96
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300765	0	36	-2.0	-118.83	326.35	5.33	-113.50
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300766	0	30	-2.0	-102.55	293.68	4.03	-98.52
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300000300767	0	33	-2.0	-106.05	328.87	7.75	-98.30
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000300769	0	35	-2.0	-98.82	327.93	5.30	-93.52
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300000300769	1	35	-2.0	-108.77	333.69	4.46	-104.31
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300000300770	0	37	-2.0	-104.47	341.16	7.15	-97.32
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300772	1	40	-2.0	-106.79	378.58	7.83	-98.96
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000300773	0	28	-2.0	-112.18	283.47	4.81	-107.37
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300000300775	0	37	-2.0	-122.12	346.02	4.18	-117.94
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300000300776	0	34	-2.0	-108.87	323.84	4.59	-104.28
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000300777	1	40	-2.0	-109.59	350.03	7.35	-102.24
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000300778	1	32	-2.0	-100.72	311.91	6.18	-94.54
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F	REAL300000300779	0	36	-2.0	-101.66	334.90	7.01	-94.65
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000300780	0	37	-2.0	-120.92	330.11	6.69	-114.23
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300000300781	0	32	-2.0	-107.36	318.08	5.04	-102.32
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000300782	0	35	-3.0	-184.16	337.40	8.17	-175.99
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300000300783	0	35	-2.0	-109.12	336.48	5.60	-103.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C(F)C=C1C	REAL300000300786	0	40	-2.0	-109.14	361.48	7.01	-102.13
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000300787	0	31	-2.0	-101.44	317.78	5.94	-95.50
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000300788	0	36	-2.0	-115.03	322.19	2.67	-112.36
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000300789	0	34	-2.0	-110.23	314.81	6.38	-103.85
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CN=C1C	REAL300000300790	0	39	-2.0	-102.21	351.43	5.10	-97.11
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000300791	1	43	-2.0	-112.07	388.86	4.98	-107.09
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000300792	1	33	-2.0	-100.98	312.76	5.12	-95.86
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C(Br)N1C	REAL300000300793	0	34	-2.0	-117.50	326.96	5.15	-112.35
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300000300796	1	33	-2.0	-100.66	324.95	5.64	-95.02
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=NN1C	REAL300000300798	0	34	-2.0	-108.74	305.86	3.98	-104.76
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300800	1	44	-2.0	-120.93	379.15	6.61	-114.32
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300801	0	34	-2.0	-108.16	308.58	4.10	-104.06
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300802	1	38	-2.0	-107.84	357.01	5.98	-101.86
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000300804	0	31	-2.0	-106.24	302.22	3.28	-102.96
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000300805	0	37	-2.0	-102.69	331.50	5.67	-97.02
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300806	1	44	-2.0	-107.81	395.05	6.13	-101.68
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300000300807	1	45	-2.0	-114.40	379.66	7.93	-106.47
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300000300808	1	33	-2.0	-107.28	333.38	5.68	-101.60
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000300809	0	39	-2.0	-113.20	358.97	5.39	-107.81
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300000300810	0	39	-2.0	-100.48	356.34	4.32	-96.16
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300000300812	0	34	-2.0	-106.67	322.43	3.31	-103.36
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CC=C1Cl	REAL300000300814	1	35	-2.0	-103.84	330.73	5.60	-98.24
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000300815	0	33	-3.0	-180.29	317.30	6.33	-173.96
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000300815	1	34	-2.0	-127.45	315.14	5.88	-121.57
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000300816	0	28	-2.0	-113.63	285.66	3.70	-109.93
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000300817	0	33	-2.0	-120.31	316.40	5.18	-115.13
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000300818	1	36	-2.0	-112.66	321.01	5.58	-107.08
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000300819	0	37	-2.0	-117.32	335.70	8.05	-109.27
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300000300820	0	34	-2.0	-113.04	325.34	4.84	-108.20
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300821	0	37	-2.0	-115.23	353.69	7.31	-107.92
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000300823	1	34	-2.0	-111.57	312.32	7.26	-104.31
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300000300824	0	35	-2.0	-108.14	329.62	5.87	-102.27
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000300825	0	36	-2.0	-119.56	321.45	5.59	-113.97
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000300826	1	40	-2.0	-112.64	367.61	7.24	-105.40
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C2=CC=CC(C)=C2S1	REAL300000300827	0	40	-2.0	-111.92	355.10	8.79	-103.13
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300000300828	0	35	-2.0	-108.23	339.94	6.33	-101.90
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000300833	0	34	-2.0	-116.61	315.11	6.72	-109.89
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000300835	0	30	-2.0	-102.33	310.24	4.94	-97.39
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300000300836	0	31	-2.0	-104.73	308.78	3.90	-100.83
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000300837	1	36	-2.0	-109.52	329.04	4.22	-105.30
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000300839	0	37	-2.0	-98.17	337.04	6.88	-91.29
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000300839	1	36	-3.0	-168.33	338.62	6.99	-161.34
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300841	0	35	-2.0	-113.73	319.86	5.61	-108.12
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300000300842	1	34	-2.0	-100.69	324.79	4.85	-95.84
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1[N+](=O)[O-]	REAL300000300843	1	39	-2.0	-108.42	347.62	7.59	-100.83
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300844	0	47	-2.0	-118.94	389.65	7.85	-111.09
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000300846	1	34	-2.0	-100.64	328.45	2.99	-97.65
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000300847	1	35	-2.0	-105.27	334.95	3.90	-101.37
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000300849	1	37	-2.0	-118.91	333.31	6.75	-112.16
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=C2)=N1	REAL300000300850	1	40	-2.0	-108.60	371.44	7.22	-101.38
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300851	0	40	-2.0	-115.50	365.76	7.10	-108.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C([N+](=O)[O-])S1	REAL300000300852	0	33	-2.0	-115.69	319.78	6.94	-108.75
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C(F)(F)F	REAL300000300854	0	33	-2.0	-100.74	323.69	5.76	-94.98
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000300855	1	34	-2.0	-105.08	327.19	3.94	-101.14
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000300856	0	30	-2.0	-111.54	285.70	3.93	-107.61
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000300858	1	30	-2.0	-100.34	286.61	3.90	-96.44
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=NC(Cl)=CC=C2S1	REAL300000300860	0	33	-2.0	-107.84	335.78	5.75	-102.09
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300861	0	38	-2.0	-114.29	351.14	7.53	-106.76
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000300863	1	31	-2.0	-101.47	307.80	6.31	-95.16
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000300864	0	40	-2.0	-115.75	346.89	6.12	-109.63
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300000300865	1	38	-2.0	-115.18	350.31	3.60	-111.58
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000300866	0	39	-2.0	-119.64	337.38	6.97	-112.67
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300867	0	41	-2.0	-109.27	358.34	4.73	-104.54
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000300868	0	40	-2.0	-107.74	367.30	7.40	-100.34
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)S2)C1	REAL300000300870	0	42	-2.0	-110.67	374.99	6.20	-104.47
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300873	1	38	-2.0	-120.39	341.13	3.18	-117.21
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)=C2)=N1	REAL300000300877	1	43	-2.0	-112.74	378.26	5.66	-107.08
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)N(C)N=C1	REAL300000300878	0	37	-2.0	-109.51	334.41	4.83	-104.68
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1C	REAL300000300880	1	36	-2.0	-97.87	340.94	7.60	-90.27
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000300881	1	39	-2.0	-106.31	367.10	4.65	-101.66
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300000300883	0	38	-2.0	-116.67	351.67	7.54	-109.13
COC(=O)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=CC=C12	REAL300000300884	1	43	-2.0	-111.02	376.32	8.59	-102.43
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1F	REAL300000300885	0	37	-2.0	-110.30	350.02	6.50	-103.80
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300886	1	44	-2.0	-112.76	375.22	7.41	-105.35
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300000300889	0	44	-2.0	-107.18	387.63	8.08	-99.10
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000300890	0	36	-2.0	-114.56	330.40	7.83	-106.73
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CN1CC1CC1	REAL300000300891	0	44	-2.0	-119.20	384.06	7.68	-111.52
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)O1	REAL300000300892	0	37	-2.0	-104.21	342.64	5.12	-99.09
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=C2C1	REAL300000300893	1	42	-2.0	-116.06	368.98	6.26	-109.80
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000300894	0	34	-2.0	-106.43	324.95	5.25	-101.18
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300000300896	1	39	-2.0	-105.66	348.87	8.09	-97.57
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000300897	0	40	-2.0	-132.54	352.79	8.35	-124.19
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000300897	1	39	-3.0	-185.35	354.70	8.44	-176.91
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300000300898	0	34	-2.0	-96.45	326.83	4.38	-92.07
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300000300899	1	42	-2.0	-111.11	385.84	9.85	-101.26
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000300900	0	30	-2.0	-104.64	302.57	4.36	-100.28
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300000300901	1	41	-2.0	-120.71	351.30	9.15	-111.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(F)=C1F	REAL300000300902	0	34	-2.0	-111.82	317.32	6.54	-105.28
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)OC=C1	REAL300000300903	0	34	-2.0	-116.36	317.32	5.20	-111.16
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000300905	0	33	-2.0	-121.22	312.29	4.74	-116.48
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(C)=N1	REAL300000300906	0	43	-2.0	-107.83	373.10	6.53	-101.30
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C(OC)C=C1F	REAL300000300907	0	41	-2.0	-108.58	372.66	6.23	-102.35
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000300909	0	32	-3.0	-173.53	309.87	4.45	-169.08
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300910	0	35	-2.0	-110.19	314.95	5.77	-104.42
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000300912	1	43	-2.0	-107.17	363.43	8.03	-99.14
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000300913	1	32	-2.0	-101.67	312.43	6.20	-95.47
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300000300914	0	34	-2.0	-104.75	318.34	4.39	-100.36
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000300915	0	33	-2.0	-121.19	308.36	4.93	-116.26
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000300915	1	33	-2.0	-108.02	308.47	4.80	-103.22
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000300916	0	35	-2.0	-116.68	318.93	5.74	-110.94
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000300917	0	41	-2.0	-106.06	346.19	5.88	-100.18
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000300918	0	43	-2.0	-107.43	353.58	6.35	-101.08
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000300919	0	41	-2.0	-107.27	352.60	6.10	-101.17
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1Br	REAL300000300920	0	31	-2.0	-107.70	310.44	3.95	-103.75
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000300922	0	32	-2.0	-99.88	295.60	4.37	-95.51
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000300922	1	32	-2.0	-109.37	301.38	3.52	-105.85
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300924	0	34	-2.0	-124.11	317.48	3.33	-120.78
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300925	0	37	-2.0	-108.26	328.05	4.91	-103.35
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000300926	1	36	-2.0	-109.36	330.22	6.22	-103.14
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000300927	0	31	-2.0	-102.62	290.41	3.10	-99.52
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300934	0	31	-2.0	-99.82	304.44	1.54	-98.28
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300935	0	45	-2.0	-128.58	384.03	5.37	-123.21
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300938	0	37	-3.0	-166.66	341.85	6.11	-160.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1C	REAL300000300938	1	38	-2.0	-105.11	339.24	5.58	-99.53
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C(C(N)=O)O1	REAL300000300939	0	35	-2.0	-109.12	324.73	1.36	-107.76
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000300941	0	31	-2.0	-104.65	305.43	5.68	-98.97
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000300942	0	30	-3.0	-161.83	313.77	5.28	-156.55
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300943	0	47	-2.0	-108.78	398.72	8.53	-100.25
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000300944	1	36	-2.0	-118.20	321.44	6.26	-111.94
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300945	0	38	-2.0	-111.67	346.58	5.97	-105.70
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000300946	0	32	-2.0	-112.10	311.00	6.16	-105.94
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000300947	0	34	-2.0	-100.15	339.76	5.02	-95.13
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=C21	REAL300000300949	1	45	-2.0	-131.43	386.03	7.68	-123.75
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000300950	0	38	-2.0	-107.40	335.10	5.42	-101.98
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000300951	0	38	-2.0	-106.21	332.09	5.63	-100.58
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000300952	0	41	-2.0	-105.75	354.75	6.29	-99.46
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C2=CC=CC=C12	REAL300000300953	0	43	-2.0	-110.03	376.01	8.58	-101.45
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300954	0	44	-2.0	-121.11	389.98	7.15	-113.96
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300000300955	0	36	-2.0	-114.12	337.20	4.73	-109.39
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300000300956	0	42	-2.0	-115.12	360.24	3.77	-111.35
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300000300957	0	37	-2.0	-108.46	352.04	6.67	-101.79
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000300958	1	37	-2.0	-107.89	335.92	2.99	-104.90
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000300959	0	28	-2.0	-107.12	285.86	4.48	-102.64
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000300960	1	35	-2.0	-99.74	331.07	5.31	-94.43
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000300961	0	38	-2.0	-110.58	329.57	5.78	-104.80
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000300962	0	35	-2.0	-107.58	326.40	5.19	-102.39
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300000300964	0	41	-2.0	-115.31	359.63	7.14	-108.17
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300965	1	34	-2.0	-106.18	308.09	6.46	-99.72
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000300966	0	39	-2.0	-120.56	342.62	6.35	-114.21
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000300967	0	39	-2.0	-106.60	353.87	5.40	-101.20
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300969	0	35	-2.0	-112.12	321.65	6.42	-105.70
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300000300970	0	37	-2.0	-115.51	338.88	6.39	-109.12
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=C21	REAL300000300971	1	45	-2.0	-129.95	384.76	7.37	-122.58
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000300972	0	28	-2.0	-107.51	290.62	5.20	-102.31
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Br)=NN1C	REAL300000300973	0	31	-2.0	-97.71	306.13	3.93	-93.78
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000300974	0	33	-2.0	-100.58	319.09	4.93	-95.65
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300975	0	36	-2.0	-123.28	325.88	5.36	-117.92
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000300976	1	32	-2.0	-99.36	300.08	4.52	-94.84
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000300977	0	34	-2.0	-111.44	324.03	7.20	-104.24
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000300978	0	34	-2.0	-123.57	330.10	5.46	-118.11
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000300979	0	38	-2.0	-103.08	337.14	5.47	-97.61
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1OC	REAL300000300981	0	39	-2.0	-114.90	337.94	5.56	-109.34
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300000300983	1	32	-2.0	-101.06	325.76	6.64	-94.42
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000300984	0	34	-2.0	-111.62	314.97	6.03	-105.59
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1OC	REAL300000300985	0	39	-2.0	-117.33	344.62	6.06	-111.27
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300000300986	0	44	-2.0	-111.32	373.95	6.65	-104.67
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000300987	0	38	-2.0	-110.69	340.50	5.67	-105.02
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000300989	0	34	-2.0	-117.01	314.63	4.97	-112.04
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000300990	0	36	-2.0	-126.45	329.74	4.16	-122.29
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000300992	0	38	-2.0	-111.15	326.13	7.66	-103.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=CN=C1N	REAL300000300993	1	35	-2.0	-109.38	313.21	3.46	-105.92
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000300994	0	31	-2.0	-107.02	302.48	1.64	-105.38
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000300997	1	34	-2.0	-108.08	318.91	6.12	-101.96
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000300998	0	41	-2.0	-110.82	356.73	6.15	-104.67
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000301000	0	28	-2.0	-107.13	291.03	5.29	-101.84
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000301001	0	41	-2.0	-107.83	359.19	6.38	-101.45
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000301002	0	35	-2.0	-114.50	323.32	6.87	-107.63
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300000301003	0	42	-2.0	-116.27	383.71	8.57	-107.70
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C2=NC=CC=C2C=C1	REAL300000301005	0	40	-2.0	-134.49	350.65	6.96	-127.53
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000301007	0	37	-2.0	-101.14	340.48	4.15	-96.99
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000301008	0	38	-2.0	-106.86	330.88	5.29	-101.57
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000301009	0	35	-2.0	-97.00	341.64	7.09	-89.91
COC(=O)C1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3C)C=C2C=C1	REAL300000301010	1	43	-2.0	-109.49	385.88	8.68	-100.81
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000301012	0	40	-2.0	-101.92	332.18	5.66	-96.26
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000301013	0	40	-2.0	-108.16	349.69	5.46	-102.70
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000301014	0	38	-2.0	-108.05	333.71	4.86	-103.19
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300000301015	0	36	-2.0	-100.15	336.12	5.57	-94.58
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000301016	1	42	-2.0	-107.10	359.46	6.57	-100.53
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C([N+](=O)[O-])=C1	REAL300000301017	1	33	-2.0	-94.61	324.23	6.49	-88.12
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300000301018	1	34	-2.0	-100.93	330.34	6.83	-94.10
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000301020	0	31	-2.0	-108.49	306.76	6.12	-102.37
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000301021	0	31	-2.0	-101.98	316.94	5.85	-96.13
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000301022	0	34	-2.0	-102.31	306.36	4.04	-98.27
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300000301024	1	34	-2.0	-100.10	337.10	7.17	-92.93
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000301026	1	34	-2.0	-108.46	312.99	6.78	-101.68
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000301027	1	42	-2.0	-119.75	369.77	7.78	-111.97
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300000301029	1	41	-2.0	-113.46	365.44	7.44	-106.02
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300000301031	0	36	-2.0	-107.97	344.01	6.22	-101.75
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000301033	0	32	-2.0	-109.43	317.78	6.60	-102.83
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300000301034	0	40	-2.0	-116.72	359.34	5.73	-110.99
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000301035	0	31	-2.0	-109.54	305.19	6.00	-103.54
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=CS1	REAL300000301037	0	32	-2.0	-113.84	307.46	4.19	-109.65
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300000301038	0	34	-2.0	-108.33	317.46	7.19	-101.14
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000301039	0	37	-2.0	-105.03	351.37	6.10	-98.93
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000301040	0	38	-2.0	-112.75	339.91	7.92	-104.83
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000301041	0	41	-2.0	-104.49	349.97	6.35	-98.14
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000301042	0	40	-2.0	-103.79	345.15	5.64	-98.15
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300000301044	0	34	-2.0	-115.38	339.13	2.24	-113.14
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000301045	0	36	-2.0	-118.94	328.80	4.11	-114.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)O1	REAL300000301046	0	34	-2.0	-108.92	311.28	5.35	-103.57
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000301047	0	43	-2.0	-125.84	376.14	9.42	-116.42
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000301048	0	31	-2.0	-102.07	309.05	4.97	-97.10
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000301049	0	35	-2.0	-106.53	326.15	5.66	-100.87
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300000301050	0	45	-2.0	-109.85	383.53	4.90	-104.95
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000301051	1	37	-2.0	-109.66	338.41	7.28	-102.38
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000301052	1	35	-2.0	-109.51	324.46	5.32	-104.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000301054	0	32	-2.0	-106.74	308.98	4.20	-102.54
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300000301055	0	42	-2.0	-126.53	356.64	8.03	-118.50
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000301057	0	34	-2.0	-105.22	317.87	4.45	-100.77
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000301058	1	41	-2.0	-112.61	362.12	6.44	-106.17
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1CCl	REAL300000301059	0	34	-2.0	-104.83	336.87	5.23	-99.60
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300000301060	0	41	-2.0	-104.75	364.87	6.94	-97.81
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000301061	0	44	-2.0	-106.99	371.59	6.69	-100.30
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000301063	1	34	-2.0	-113.22	305.76	6.72	-106.50
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000301064	1	43	-2.0	-116.81	373.71	8.70	-108.11
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000301066	0	34	-2.0	-113.83	312.20	6.10	-107.73
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000301067	1	33	-2.0	-111.19	316.15	5.13	-106.06
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000301068	0	33	-2.0	-106.90	305.91	2.64	-104.26
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1Cl	REAL300000301069	0	34	-2.0	-105.33	326.86	4.68	-100.65
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300000301071	0	33	-2.0	-103.33	326.21	5.03	-98.30
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300000301072	0	36	-2.0	-121.45	341.65	6.94	-114.51
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000301073	0	28	-2.0	-103.15	284.94	4.37	-98.78
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300000301074	1	36	-2.0	-118.28	338.40	6.71	-111.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C2=CC=CC=C12	REAL300000301075	1	40	-2.0	-118.92	343.98	8.59	-110.33
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000301078	0	31	-2.0	-104.27	312.75	6.37	-97.90
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)O1	REAL300000301079	0	37	-2.0	-118.63	348.85	2.05	-116.58
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300000301080	0	41	-2.0	-112.46	362.62	7.18	-105.28
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000301084	0	35	-2.0	-109.77	329.02	7.05	-102.72
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300000301085	1	34	-2.0	-100.97	330.67	6.56	-94.41
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300000301087	0	27	-2.0	-99.48	289.13	4.19	-95.29
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=NN1	REAL300000301089	0	37	-2.0	-107.30	345.40	3.55	-103.75
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1OC	REAL300000301090	0	36	-2.0	-111.79	338.14	3.78	-108.01
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000301091	0	32	-2.0	-94.29	318.66	4.35	-89.94
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000301091	1	31	-3.0	-161.02	321.77	4.80	-156.22
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000301092	0	30	-2.0	-96.05	302.82	4.38	-91.67
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300000301093	0	35	-2.0	-111.81	336.11	6.46	-105.35
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300000301094	1	35	-2.0	-108.62	330.69	5.39	-103.23
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000301095	0	37	-2.0	-106.82	328.60	5.75	-101.07
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000301096	1	38	-2.0	-116.47	338.92	7.51	-108.96
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300000301097	0	34	-2.0	-111.44	315.88	7.14	-104.30
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300000301098	1	40	-2.0	-105.50	364.06	6.24	-99.26
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300000301099	0	28	-2.0	-99.03	310.28	5.86	-93.17
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000301100	0	31	-2.0	-105.01	305.07	3.82	-101.19
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000301101	0	44	-2.0	-110.21	377.35	8.13	-102.08
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300000301102	1	36	-2.0	-107.56	336.64	6.40	-101.16
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300000301103	1	42	-2.0	-111.70	375.63	8.67	-103.03
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000301104	1	37	-2.0	-122.04	323.02	7.57	-114.47
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000301105	0	29	-2.0	-110.17	289.35	4.20	-105.97
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300000301107	0	32	-2.0	-110.59	326.70	4.55	-106.04
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000301108	0	40	-2.0	-112.46	366.16	4.84	-107.62
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000301108	1	39	-3.0	-169.01	362.86	3.72	-165.29
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300000301109	1	33	-2.0	-101.55	312.94	5.15	-96.40
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000301110	1	42	-2.0	-113.07	368.83	7.38	-105.69
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(C2CC2)=N1	REAL300000301111	0	41	-2.0	-110.84	362.01	6.55	-104.29
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300000301112	0	35	-2.0	-117.01	323.43	5.11	-111.90
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300000301113	1	37	-2.0	-108.03	347.84	8.54	-99.49
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C(Cl)S1	REAL300000301115	0	34	-2.0	-113.78	341.51	6.67	-107.11
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000301117	0	44	-2.0	-105.40	371.97	6.96	-98.44
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000301118	0	28	-2.0	-106.31	283.95	4.25	-102.06
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000301119	0	28	-2.0	-103.76	294.01	5.25	-98.51
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000301120	0	45	-2.0	-118.14	390.02	6.05	-112.09
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300000301121	0	37	-2.0	-113.56	344.04	8.59	-104.97
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000301122	0	39	-2.0	-103.90	337.48	3.50	-100.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(C)=N1	REAL300000301127	1	37	-2.0	-103.68	328.05	3.18	-100.50
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000301128	0	37	-2.0	-113.73	332.61	3.58	-110.15
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000301130	0	34	-2.0	-107.90	327.91	3.42	-104.48
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1C	REAL300000301131	1	37	-2.0	-104.44	332.51	3.16	-101.28
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000301132	0	40	-2.0	-107.72	352.61	5.85	-101.87
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000301133	0	40	-2.0	-108.40	350.61	5.43	-102.97
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300000301134	0	30	-2.0	-106.25	312.53	3.74	-102.51
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000301135	0	29	-2.0	-109.29	288.14	4.16	-105.13
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000301136	0	29	-2.0	-113.29	297.25	5.08	-108.21
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000301138	0	37	-2.0	-103.22	326.91	5.03	-98.19
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C1C	REAL300000301139	0	39	-2.0	-102.18	351.97	5.11	-97.07
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000301140	0	41	-2.0	-101.43	358.32	8.12	-93.31
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300000301141	0	34	-2.0	-115.50	327.06	7.56	-107.94
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000301142	0	38	-2.0	-103.14	337.45	5.89	-97.25
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000301143	0	38	-2.0	-108.08	338.91	6.89	-101.19
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=NN1C(C)C	REAL300000301145	0	40	-2.0	-109.29	349.68	5.49	-103.80
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000301147	0	33	-2.0	-104.83	312.54	4.79	-100.04
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(S(=O)(=O)F)=CS1	REAL300000301148	0	31	-2.0	-107.69	324.61	1.89	-105.80
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300000301152	0	35	-2.0	-111.53	335.65	6.22	-105.31
CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000301153	0	41	-2.0	-122.06	356.29	8.12	-113.94
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000301154	1	32	-2.0	-110.46	296.22	2.90	-107.56
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000301155	1	40	-2.0	-115.97	351.85	7.78	-108.19
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000301156	0	34	-2.0	-118.95	324.85	6.75	-112.20
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000301157	0	35	-2.0	-119.46	333.09	5.01	-114.45
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300000301158	1	38	-2.0	-115.92	341.02	8.04	-107.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(Cl)=C1Cl	REAL300000301159	0	34	-2.0	-108.97	332.24	7.37	-101.60
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300000301160	0	35	-2.0	-104.88	336.66	5.62	-99.26
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300000301161	0	38	-2.0	-108.95	353.10	6.81	-102.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C(C(F)F)=C1	REAL300000301162	1	38	-2.0	-116.14	335.64	6.34	-109.80
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000301165	0	36	-2.0	-117.44	325.98	5.34	-112.10
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000301166	0	37	-2.0	-106.72	350.29	3.93	-102.79
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1C	REAL300000301167	0	37	-2.0	-126.06	337.89	7.25	-118.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C2=NC=CC=C12	REAL300000301168	0	39	-2.0	-126.23	342.93	6.91	-119.32
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000301169	0	36	-3.0	-168.52	335.78	6.31	-162.21
CCC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000301169	1	37	-2.0	-114.45	334.58	5.80	-108.65
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000301170	0	44	-2.0	-119.65	374.65	7.76	-111.89
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)C=C(Cl)S1	REAL300000301171	1	31	-2.0	-103.65	311.75	6.14	-97.51
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300000301172	0	38	-2.0	-110.85	357.55	6.72	-104.13
CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000301173	0	38	-2.0	-110.13	330.92	5.07	-105.06
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000301174	0	34	-2.0	-114.55	312.09	6.48	-108.07
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000301175	1	35	-2.0	-106.77	340.43	4.54	-102.23
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300000301176	1	35	-2.0	-96.53	335.87	4.52	-92.01
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000301177	1	35	-2.0	-108.32	335.88	4.51	-103.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(C)=O)C(Cl)=C1	REAL300000301178	0	39	-2.0	-117.07	364.02	4.31	-112.76
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1Cl	REAL300000301179	1	39	-2.0	-96.09	367.33	5.81	-90.28
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000301180	1	38	-2.0	-110.81	355.06	5.16	-105.65
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1Cl	REAL300000301181	1	41	-2.0	-114.88	368.56	5.85	-109.03
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000301182	0	35	-2.0	-105.97	342.27	4.60	-101.37
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300000301183	1	41	-2.0	-95.51	379.46	6.09	-89.42
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000301184	0	32	-2.0	-103.40	329.96	3.56	-99.84
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1Cl	REAL300000301185	1	38	-2.0	-112.67	351.02	5.30	-107.37
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000301187	0	36	-2.0	-106.86	342.51	3.86	-103.00
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1Cl	REAL300000301189	0	35	-2.0	-100.93	345.00	4.19	-96.74
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000301191	0	32	-2.0	-104.84	327.52	3.55	-101.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(C)=O)C(Cl)=C1	REAL300000301193	1	41	-2.0	-108.53	366.93	6.25	-102.28
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000301194	0	35	-2.0	-102.46	338.88	3.65	-98.81
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000301195	0	39	-2.0	-111.34	364.58	3.62	-107.72
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300000301196	1	35	-2.0	-106.36	345.10	4.44	-101.92
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000301197	1	35	-2.0	-96.00	340.41	4.55	-91.45
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000301198	0	32	-2.0	-97.92	329.05	3.68	-94.24
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000301199	1	35	-2.0	-99.33	342.29	4.57	-94.76
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000301200	0	35	-2.0	-95.68	342.26	4.61	-91.07
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000301201	0	36	-2.0	-108.73	346.51	2.25	-106.48
CC(=O)NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000301201	1	36	-2.0	-106.47	344.50	3.07	-103.40
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000301202	1	38	-2.0	-100.78	358.06	5.29	-95.49
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000301203	1	38	-2.0	-105.43	345.73	5.18	-100.25
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000301205	1	41	-2.0	-111.97	369.16	5.60	-106.37
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(C)=O)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000301207	1	41	-2.0	-111.02	369.72	5.71	-105.31
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(C)=O)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000301208	0	39	-2.0	-108.09	363.91	4.72	-103.37
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1Cl	REAL300000301209	1	38	-2.0	-96.47	351.61	5.05	-91.42
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000301210	0	35	-2.0	-113.98	339.52	4.55	-109.43
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000301211	0	34	-2.0	-108.46	332.58	2.58	-105.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(C)=O)C(Cl)=C1	REAL300000301212	0	39	-2.0	-102.72	364.07	4.31	-98.41
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000301213	0	32	-2.0	-96.49	336.03	3.50	-92.99
CCC1=C(S(=O)(=O)[N-]C2=CC=C(NC(C)=O)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000301214	0	38	-2.0	-102.30	357.73	4.51	-97.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2CCOCC2)C=C1	REAL300000301215	1	41	-2.0	-91.88	364.21	5.25	-86.63
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2CCOCC2)=C1	REAL300000301216	1	41	-2.0	-103.82	364.24	5.25	-98.57
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2CCOCC2)C=C1C(=O)[O-]	REAL300000301217	0	42	-2.0	-103.76	367.73	3.78	-99.98
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2CCOCC2)=C1	REAL300000301218	0	40	-2.0	-102.17	358.07	2.48	-99.69
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1	REAL300000301219	0	40	-2.0	-102.02	363.86	1.12	-100.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=CC=C1F	REAL300000301220	0	33	-2.0	-120.01	311.94	2.56	-117.45
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)NC2	REAL300000301221	0	41	-2.0	-118.67	367.03	3.63	-115.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1	REAL300000301222	0	33	-2.0	-109.91	307.40	2.54	-107.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1	REAL300000301223	0	33	-2.0	-122.89	307.40	2.53	-120.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)NC2	REAL300000301224	0	37	-2.0	-126.60	335.54	2.33	-124.27
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1	REAL300000301225	0	37	-2.0	-108.30	338.85	3.83	-104.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000301226	0	36	-2.0	-124.34	323.42	3.07	-121.27
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1	REAL300000301227	0	33	-2.0	-116.32	320.48	3.09	-113.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=CC=C1Cl	REAL300000301228	0	33	-2.0	-118.52	319.92	2.92	-115.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1C	REAL300000301229	0	39	-2.0	-123.71	340.07	3.88	-119.83
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1	REAL300000301230	0	33	-2.0	-119.02	312.87	2.59	-116.43
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1	REAL300000301231	0	39	-2.0	-107.42	350.99	4.12	-103.30
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1	REAL300000301232	0	30	-2.0	-117.11	300.59	1.56	-115.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)NC2	REAL300000301233	0	36	-2.0	-121.38	322.83	3.30	-118.08
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1	REAL300000301234	0	37	-2.0	-107.12	338.47	2.82	-104.30
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000301235	0	34	-2.0	-121.31	314.05	1.88	-119.43
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)NC2	REAL300000301236	0	37	-2.0	-121.70	331.18	1.36	-120.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1	REAL300000301237	0	33	-2.0	-113.37	316.51	2.22	-111.15
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000301238	0	39	-2.0	-122.77	338.86	3.84	-118.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=CS1	REAL300000301239	0	30	-2.0	-118.42	299.05	1.56	-116.86
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=CC(C(=O)[O-])=C1OC	REAL300000301240	0	41	-2.0	-123.86	365.73	2.34	-121.52
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000301241	0	37	-2.0	-128.81	334.69	2.60	-126.21
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1	REAL300000301242	0	43	-2.0	-125.86	362.64	5.16	-120.70
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)NC2	REAL300000301243	0	42	-2.0	-123.31	361.31	4.54	-118.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)NC2	REAL300000301244	0	39	-2.0	-117.76	335.83	4.23	-113.53
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)NC2	REAL300000301245	0	40	-2.0	-125.73	357.84	3.10	-122.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=CC(C(=O)[O-])=C1	REAL300000301246	0	35	-3.0	-202.53	335.81	3.10	-199.43
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1	REAL300000301247	0	40	-2.0	-126.28	351.67	4.42	-121.86
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C(C(=O)[O-])O1	REAL300000301248	0	33	-2.0	-115.11	310.41	1.68	-113.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=CC2=C1OCCO2	REAL300000301249	0	39	-2.0	-128.23	349.58	2.30	-125.93
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1	REAL300000301250	0	37	-2.0	-126.34	336.32	1.62	-124.72
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=C4C(=O)NCC4=CC=C3)C=C2C1	REAL300000301251	0	41	-2.0	-107.83	360.33	3.14	-104.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C(Cl)C=C1F	REAL300000301252	0	33	-2.0	-112.68	324.99	3.13	-109.55
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1Cl	REAL300000301253	0	37	-2.0	-105.44	354.51	3.36	-102.08
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=CC=C1OCC(=O)[O-]	REAL300000301254	0	40	-2.0	-107.67	358.56	3.52	-104.15
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)NC2	REAL300000301255	0	36	-2.0	-112.18	328.11	3.34	-108.84
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1F	REAL300000301256	0	37	-2.0	-106.32	344.71	2.88	-103.44
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000301257	0	40	-2.0	-129.58	356.56	3.51	-126.07
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C(C(=O)[O-])S1	REAL300000301258	0	33	-2.0	-117.83	317.10	2.41	-115.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C(Cl)=C1	REAL300000301259	0	33	-2.0	-106.94	320.46	3.09	-103.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1F	REAL300000301260	0	33	-2.0	-109.23	311.93	2.57	-106.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)S1	REAL300000301261	0	30	-2.0	-111.91	299.66	1.66	-110.25
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1	REAL300000301262	0	33	-2.0	-113.57	313.82	2.60	-110.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1F	REAL300000301263	0	36	-2.0	-120.65	333.16	3.24	-117.41
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C(Cl)C=C1C(=O)[O-]	REAL300000301264	0	37	-2.0	-111.74	347.71	3.15	-108.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C(F)=C1	REAL300000301265	0	33	-2.0	-109.88	312.86	2.60	-107.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1Cl	REAL300000301266	0	33	-2.0	-107.41	319.90	2.93	-104.48
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)NC2	REAL300000301267	0	36	-2.0	-113.78	336.84	3.72	-110.06
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1	REAL300000301268	0	41	-2.0	-104.57	371.13	3.94	-100.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=CC(F)=C1F	REAL300000301269	0	33	-2.0	-111.40	318.22	2.62	-108.78
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1	REAL300000301270	0	35	-2.0	-107.59	335.60	3.20	-104.39
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1	REAL300000301271	0	34	-2.0	-119.29	317.12	0.25	-119.04
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1	REAL300000301272	0	36	-2.0	-112.48	329.59	3.32	-109.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=CC(Cl)=C1F	REAL300000301273	0	33	-2.0	-112.86	328.11	3.06	-109.80
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)NC2	REAL300000301274	0	36	-2.0	-120.42	317.44	3.16	-117.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=CC(C(=O)[O-])=C1F	REAL300000301275	0	36	-2.0	-121.60	332.24	3.18	-118.42
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)NC2	REAL300000301276	0	36	-2.0	-109.42	322.81	3.29	-106.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=CC(C(=O)[O-])=C1C	REAL300000301277	0	39	-2.0	-126.47	340.87	3.62	-122.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=CC=C1[N+](=O)[O-]	REAL300000301278	0	35	-2.0	-120.51	333.96	3.62	-116.89
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1	REAL300000301279	0	33	-2.0	-111.03	319.16	2.66	-108.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C(C)=C1C(=O)[O-]	REAL300000301280	0	39	-2.0	-125.15	340.93	3.93	-121.22
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000301281	0	36	-2.0	-121.44	332.72	3.23	-118.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1Cl	REAL300000301282	0	36	-2.0	-118.29	339.16	3.67	-114.62
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1	REAL300000301283	0	36	-2.0	-130.19	332.44	3.22	-126.97
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000301284	0	39	-2.0	-125.19	341.72	3.72	-121.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1CC(=O)[O-]	REAL300000301285	0	40	-2.0	-123.07	357.88	2.66	-120.41
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)NC2	REAL300000301286	0	36	-2.0	-113.17	333.66	3.71	-109.46
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=CC(C(=O)[O-])=C1Cl	REAL300000301287	0	36	-2.0	-120.59	338.63	3.49	-117.10
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000301288	0	37	-2.0	-122.74	335.42	2.74	-120.00
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C(C)=C1CC(=O)[O-]	REAL300000301289	0	45	-2.0	-125.49	372.55	5.41	-120.08
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000301290	0	36	-2.0	-116.44	337.26	3.50	-112.94
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C(C(=O)[O-])S1	REAL300000301291	0	42	-2.0	-116.70	356.84	4.65	-112.05
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000301292	0	37	-2.0	-121.87	347.72	3.16	-118.71
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=CC=C1C(=O)[O-]	REAL300000301293	0	36	-2.0	-110.27	323.41	3.08	-107.19
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C([N+](=O)[O-])=C1	REAL300000301294	0	38	-2.0	-113.24	348.12	4.69	-108.55
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)NC2	REAL300000301295	0	36	-2.0	-118.68	326.94	3.37	-115.31
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1[N+](=O)[O-]	REAL300000301296	0	35	-2.0	-131.75	331.13	4.38	-127.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1F	REAL300000301297	0	33	-2.0	-129.16	311.03	2.56	-126.60
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000301298	0	36	-2.0	-114.65	328.57	3.10	-111.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C(=O)NCC3=CC=C2)=CC2=CC=CC=C21	REAL300000301299	0	39	-2.0	-132.03	348.44	4.65	-127.38
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C1	REAL300000301300	0	32	-2.0	-117.92	304.38	0.58	-117.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)NC2	REAL300000301301	0	37	-2.0	-114.00	335.61	2.33	-111.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)=C(Cl)O1	REAL300000301302	0	30	-2.0	-109.56	307.50	1.51	-108.05
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C4C(=O)NCC4=CC=C3)C=C2)CC1	REAL300000301303	0	40	-2.0	-115.55	353.52	4.42	-111.13
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C4C(=O)NCC4=CC=C3)C=C2C1	REAL300000301304	0	40	-2.0	-121.98	351.49	4.40	-117.58
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)NC3)C=C(C(=O)[O-])O1	REAL300000301305	0	36	-2.0	-113.84	329.49	2.52	-111.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)=CC=C1	REAL300000301308	1	41	-2.0	-117.96	368.55	4.24	-113.72
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)=C1	REAL300000301310	0	41	-2.0	-108.56	374.03	4.31	-104.25
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)=C1	REAL300000301311	0	38	-2.0	-106.08	361.73	3.26	-102.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)NC2CC2)C=C1	REAL300000301312	1	44	-2.0	-111.83	384.00	5.03	-106.80
CN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)C=C1C(=O)[O-]	REAL300000301313	1	42	-2.0	-110.25	375.20	3.59	-106.66
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)=C1	REAL300000301314	0	41	-2.0	-102.92	377.66	3.92	-99.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)=CS1	REAL300000301315	0	38	-2.0	-108.43	360.20	3.28	-105.15
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000301316	0	41	-2.0	-105.51	371.56	3.38	-102.13
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)C=C(C(=O)[O-])S1	REAL300000301317	1	41	-2.0	-108.53	377.15	4.13	-104.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)C=C1F	REAL300000301318	1	41	-2.0	-99.47	373.09	4.28	-95.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)S1	REAL300000301319	0	38	-2.0	-105.86	360.82	3.37	-102.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)=CC(F)=C1	REAL300000301320	1	41	-2.0	-102.66	374.96	4.31	-98.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)C(F)=C1	REAL300000301321	0	41	-2.0	-99.46	374.02	4.32	-95.14
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)=C1	REAL300000301322	0	42	-2.0	-110.75	378.26	1.95	-108.80
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(NC(=O)NC3CC3)C=C2)=C1	REAL300000301322	1	42	-2.0	-108.59	377.52	2.79	-105.80
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)C=C1	REAL300000301323	1	44	-2.0	-102.79	390.72	5.02	-97.77
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)NC2CC2)C=C1	REAL300000301324	1	44	-2.0	-110.34	382.13	5.01	-105.33
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)C=C1C(=O)[O-]	REAL300000301326	1	45	-2.0	-111.53	396.57	4.46	-107.07
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)=CC=C1	REAL300000301328	0	41	-2.0	-117.62	372.21	4.28	-113.34
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)=C1	REAL300000301329	0	40	-2.0	-110.20	364.76	2.36	-107.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)=C(Cl)O1	REAL300000301330	0	38	-2.0	-99.69	368.70	3.22	-96.47
CCC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000301331	0	44	-2.0	-105.24	390.68	4.23	-101.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)=CC=C1F	REAL300000301332	1	42	-2.0	-105.05	366.05	6.03	-99.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)C=C1	REAL300000301333	1	42	-2.0	-95.17	361.44	6.02	-89.15
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)=C1	REAL300000301334	1	42	-2.0	-107.23	361.48	6.01	-101.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000301335	1	45	-2.0	-109.33	381.28	6.66	-102.67
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)=C1	REAL300000301336	0	42	-2.0	-103.73	366.99	6.07	-97.66
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)=C1	REAL300000301337	0	39	-2.0	-101.47	354.70	5.03	-96.44
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC2)C=C1	REAL300000301338	1	45	-2.0	-107.68	376.90	6.81	-100.87
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000301339	0	43	-2.0	-105.68	368.11	5.37	-100.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)=C1	REAL300000301340	0	42	-2.0	-97.71	370.59	5.70	-92.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)=CS1	REAL300000301341	0	39	-2.0	-103.10	353.12	5.05	-98.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000301342	0	42	-2.0	-101.09	364.50	5.16	-95.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)C=C(C(=O)[O-])S1	REAL300000301343	0	42	-2.0	-104.33	370.07	5.92	-98.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)C=C1F	REAL300000301344	1	42	-2.0	-94.79	366.00	6.05	-88.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)S1	REAL300000301345	0	39	-2.0	-96.64	353.72	5.14	-91.50
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)=C1	REAL300000301346	1	42	-2.0	-98.27	367.88	6.08	-92.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)C(F)=C1	REAL300000301347	0	42	-2.0	-94.45	366.93	6.08	-88.37
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)=C1	REAL300000301348	0	43	-2.0	-106.19	371.23	3.71	-102.48
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)N3CCCC3)C=C2)=C1	REAL300000301348	1	43	-2.0	-106.54	370.30	4.54	-102.00
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)C=C1	REAL300000301349	1	45	-2.0	-98.00	383.63	6.80	-91.20
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC2)C=C1	REAL300000301350	1	45	-2.0	-105.12	375.18	6.76	-98.36
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC2)C=C1	REAL300000301351	1	45	-2.0	-95.43	376.93	6.78	-88.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000301352	0	46	-2.0	-106.98	389.48	6.23	-100.75
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)=CC=C1C(=O)[O-]	REAL300000301353	1	45	-2.0	-95.09	377.26	6.55	-88.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)=C1F	REAL300000301354	0	42	-2.0	-111.60	365.08	6.04	-105.56
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)=C1	REAL300000301355	0	41	-2.0	-104.56	357.68	4.15	-100.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)=C(Cl)O1	REAL300000301356	0	39	-2.0	-95.10	361.61	5.00	-90.10
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000301357	0	45	-2.0	-100.93	383.59	6.01	-94.92
CC(C)NC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000301360	1	43	-2.0	-112.21	379.08	4.17	-108.04
CC(C)NC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000301362	0	43	-2.0	-115.56	384.26	4.27	-111.29
CC(C)NC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000301363	0	40	-2.0	-106.73	372.26	3.19	-103.54
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)NC(C)C)C=C1	REAL300000301364	1	46	-2.0	-113.48	394.22	4.98	-108.50
CC(C)NC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000301365	1	44	-2.0	-111.72	385.44	3.56	-108.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC(C)C)C=C2)=C1	REAL300000301366	0	43	-2.0	-108.26	387.92	3.89	-104.37
CC(C)NC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000301367	0	40	-2.0	-112.89	370.71	3.21	-109.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000301368	0	43	-2.0	-106.76	381.82	3.34	-103.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000301369	1	43	-2.0	-110.09	387.42	4.10	-105.99
CC(C)NC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000301370	1	43	-2.0	-99.78	383.33	4.25	-95.53
CC(C)NC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000301371	0	40	-2.0	-101.89	371.05	3.33	-98.56
CC(C)NC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000301372	1	43	-2.0	-108.20	385.19	4.27	-103.93
CC(C)NC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000301373	0	43	-2.0	-100.04	384.54	4.25	-95.79
CC(C)NC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000301374	0	44	-2.0	-111.38	388.77	1.87	-109.51
CC(C)NC(=O)NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000301374	1	44	-2.0	-109.03	388.03	2.72	-106.31
CC(C)NC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000301375	1	46	-2.0	-103.44	401.23	4.95	-98.49
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)NC(C)C)C=C1	REAL300000301376	1	46	-2.0	-110.90	391.50	4.95	-105.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000301378	1	47	-2.0	-113.05	406.81	4.43	-108.62
CC(C)NC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000301380	0	43	-2.0	-118.28	382.71	4.21	-114.07
CC(C)NC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000301381	0	42	-2.0	-116.02	375.00	2.32	-113.70
CCC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)NC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000301382	0	46	-2.0	-106.58	400.92	4.20	-102.38
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000301383	0	42	-2.0	-97.70	369.56	1.68	-96.02
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000301384	0	35	-2.0	-113.36	317.39	3.10	-110.26
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(N)=O	REAL300000301385	0	43	-2.0	-115.58	372.66	4.15	-111.43
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000301386	0	35	-2.0	-106.01	313.08	3.11	-102.90
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000301387	0	35	-2.0	-121.98	313.15	3.07	-118.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(N)=O	REAL300000301388	0	39	-2.0	-125.42	341.19	2.86	-122.56
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000301389	0	39	-2.0	-104.16	344.55	4.39	-99.77
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000301390	0	38	-2.0	-117.79	328.95	3.61	-114.18
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000301391	0	35	-2.0	-109.30	319.69	3.65	-105.65
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000301392	0	35	-2.0	-112.11	325.36	3.47	-108.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)=C1C	REAL300000301393	0	41	-2.0	-115.45	338.80	4.38	-111.07
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000301394	0	35	-2.0	-112.70	315.67	3.13	-109.57
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000301395	0	41	-2.0	-102.98	356.67	4.69	-98.29
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000301396	0	32	-2.0	-115.95	306.24	2.12	-113.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(N)=O	REAL300000301397	0	38	-2.0	-121.25	326.49	3.78	-117.47
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000301398	0	39	-2.0	-102.54	344.17	3.38	-99.16
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000301399	0	36	-2.0	-119.86	319.79	2.43	-117.43
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(N)=O	REAL300000301400	0	39	-2.0	-113.46	330.57	1.90	-111.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)=C1	REAL300000301401	0	35	-2.0	-110.28	322.24	2.79	-107.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000301402	0	41	-2.0	-114.66	337.13	4.41	-110.25
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000301403	0	32	-2.0	-112.54	304.80	2.12	-110.42
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)=CC(C(=O)[O-])=C1OC	REAL300000301404	0	43	-2.0	-117.88	371.18	2.89	-114.99
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000301405	0	39	-2.0	-122.17	340.14	3.14	-119.03
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000301406	0	45	-2.0	-125.62	368.39	5.69	-119.93
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000301407	0	44	-2.0	-113.90	356.93	5.06	-108.84
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(N)=O	REAL300000301408	0	41	-2.0	-112.24	345.22	4.74	-107.50
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(N)=O	REAL300000301409	0	42	-2.0	-126.63	363.49	3.62	-123.01
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000301410	0	37	-3.0	-200.64	341.55	3.63	-197.01
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000301411	0	42	-2.0	-126.03	357.39	4.96	-121.07
CC1=C(S(=O)(=O)[N-]C2=C(C(N)=O)C=CC=C2C)C=C(C(=O)[O-])O1	REAL300000301412	0	35	-2.0	-114.61	316.14	2.22	-112.39
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000301413	0	41	-2.0	-127.29	355.79	2.86	-124.43
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)=C1	REAL300000301414	0	39	-2.0	-117.80	342.02	2.15	-115.65
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000301415	0	43	-2.0	-102.06	365.77	3.68	-98.38
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000301416	0	35	-2.0	-112.11	330.73	3.67	-108.44
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000301417	0	39	-2.0	-101.38	359.95	3.90	-97.48
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)=CC=C1OCC(=O)[O-]	REAL300000301418	0	42	-2.0	-102.95	364.44	4.09	-98.86
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000301419	0	38	-2.0	-105.20	327.71	3.89	-101.31
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000301420	0	39	-2.0	-102.68	350.15	3.42	-99.26
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000301421	0	42	-2.0	-128.81	361.99	4.05	-124.76
CC1=C(S(=O)(=O)[N-]C2=C(C(N)=O)C=CC=C2C)C=C(C(=O)[O-])S1	REAL300000301422	0	35	-2.0	-117.49	320.19	2.94	-114.55
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000301423	0	35	-2.0	-101.24	319.66	3.63	-97.61
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000301424	0	35	-2.0	-106.05	317.37	3.11	-102.94
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000301425	0	32	-2.0	-107.29	305.33	2.23	-105.06
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000301426	0	35	-2.0	-112.12	319.26	3.14	-108.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)=C1F	REAL300000301427	0	38	-2.0	-119.33	338.80	3.79	-115.54
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)=C(Cl)C=C1C(=O)[O-]	REAL300000301428	0	39	-2.0	-108.39	353.44	3.70	-104.69
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000301429	0	35	-2.0	-105.14	315.66	3.14	-102.00
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000301430	0	35	-2.0	-103.79	325.34	3.48	-100.31
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000301431	0	38	-2.0	-112.91	340.78	4.19	-108.72
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000301432	0	43	-2.0	-99.94	376.84	4.51	-95.43
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000301433	0	35	-2.0	-105.79	323.67	3.17	-102.62
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000301434	0	37	-2.0	-105.64	341.04	3.74	-101.90
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000301435	0	36	-2.0	-119.05	322.77	0.78	-118.27
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000301436	0	38	-2.0	-108.62	335.27	3.88	-104.74
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000301437	0	35	-2.0	-107.20	333.56	3.60	-103.60
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000301438	0	38	-2.0	-113.58	320.83	3.61	-109.97
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)=CC(C(=O)[O-])=C1F	REAL300000301439	0	38	-2.0	-115.01	338.46	3.74	-111.27
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(N)=O	REAL300000301440	0	38	-2.0	-106.49	326.45	3.76	-102.73
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)=CC(C(=O)[O-])=C1C	REAL300000301441	0	41	-2.0	-126.02	346.46	4.15	-121.87
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000301442	0	37	-2.0	-113.62	339.25	4.13	-109.49
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000301443	0	35	-2.0	-108.94	324.81	3.22	-105.72
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000301444	0	41	-2.0	-120.21	340.35	4.46	-115.75
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000301445	0	38	-2.0	-119.06	334.98	3.69	-115.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)=C1Cl	REAL300000301446	0	38	-2.0	-117.70	343.04	4.19	-113.51
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)=C1	REAL300000301447	0	38	-2.0	-122.52	338.09	3.79	-118.73
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000301448	0	41	-2.0	-118.54	347.52	4.29	-114.25
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)C=C1CC(=O)[O-]	REAL300000301449	0	42	-2.0	-124.30	363.32	3.21	-121.09
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000301450	0	38	-2.0	-109.38	336.78	4.34	-105.04
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)=CC(C(=O)[O-])=C1Cl	REAL300000301451	0	38	-2.0	-114.09	344.85	4.05	-110.04
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000301452	0	39	-2.0	-121.33	341.17	3.30	-118.03
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000301453	0	38	-2.0	-111.78	346.83	4.15	-107.63
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000301454	0	44	-2.0	-114.21	358.57	4.93	-109.28
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000301455	0	39	-2.0	-121.27	353.46	3.71	-117.56
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)=CC=C1C(=O)[O-]	REAL300000301456	0	38	-2.0	-106.06	328.96	3.63	-102.43
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000301457	0	40	-2.0	-107.33	351.90	4.96	-102.37
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(N)=O	REAL300000301458	0	38	-2.0	-110.55	326.34	3.89	-106.66
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000301459	0	37	-2.0	-122.92	336.76	4.91	-118.01
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000301460	0	35	-2.0	-121.17	316.67	3.12	-118.05
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000301461	0	38	-2.0	-110.33	338.14	3.75	-106.58
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000301462	0	41	-2.0	-131.41	354.30	5.20	-126.21
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000301463	0	34	-2.0	-115.74	309.27	1.22	-114.52
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(N)=O	REAL300000301464	0	39	-2.0	-107.03	338.93	3.64	-103.39
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000301465	0	32	-2.0	-108.02	313.20	2.08	-105.94
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000301466	0	42	-2.0	-110.08	359.23	4.99	-105.09
CC1=CC=CC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000301467	0	42	-2.0	-113.20	358.58	4.97	-108.23
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000301468	0	38	-2.0	-107.04	329.01	3.04	-104.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=C4CCCN43)=C2)C=C1	REAL300000301469	1	41	-2.0	-108.54	363.01	8.04	-100.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=C4CCCN43)=C2)=C1	REAL300000301470	1	41	-2.0	-120.76	364.34	8.05	-112.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=C4CCCN43)=C2)C=C1C(=O)[O-]	REAL300000301471	1	44	-2.0	-122.58	380.35	8.58	-114.00
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=C4CCCN43)=C2)=C1	REAL300000301472	0	38	-2.0	-115.09	356.22	7.05	-108.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=C3CCCN32)=C1	REAL300000301473	1	44	-2.0	-120.04	379.77	8.83	-111.21
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=C4CCCN43)=C2)C=C1C(=O)[O-]	REAL300000301474	0	42	-2.0	-119.28	370.98	7.41	-111.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=C4CCCN43)=C2)=CS1	REAL300000301475	0	38	-2.0	-117.09	354.68	7.07	-110.02
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=C4CCCN43)=C2)C=C(C(=O)[O-])O1	REAL300000301476	0	41	-2.0	-113.78	366.04	7.18	-106.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=C4CCCN43)=C2)S1	REAL300000301477	0	38	-2.0	-110.44	355.30	7.17	-103.27
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=C4CCCN43)=C2)C=C1	REAL300000301478	1	44	-2.0	-110.91	385.20	8.82	-102.09
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=C3CCCN32)=C1	REAL300000301479	1	44	-2.0	-118.90	374.40	8.69	-110.21
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=C4CCCN43)=C2)=CC=C1C(=O)[O-]	REAL300000301481	1	44	-2.0	-108.71	379.04	8.58	-100.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=C4CCCN43)=C2)=C1	REAL300000301482	0	40	-2.0	-116.41	361.32	6.10	-110.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=CC=C1F	REAL300000301483	1	32	-2.0	-98.68	316.20	4.83	-93.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300000301484	1	32	-2.0	-89.05	311.65	4.81	-84.24
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000301485	1	32	-2.0	-100.94	311.66	4.80	-96.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)(F)F)=C1	REAL300000301486	0	36	-2.0	-105.89	339.80	4.60	-101.29
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300000301487	1	36	-2.0	-88.81	343.12	6.09	-82.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000301488	1	35	-2.0	-101.99	327.67	5.33	-96.66
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000301489	0	32	-2.0	-96.40	324.73	5.37	-91.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=CC=C1Cl	REAL300000301490	1	32	-2.0	-96.93	324.17	5.19	-91.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C1C	REAL300000301491	1	38	-2.0	-103.69	344.33	6.15	-97.54
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000301492	0	32	-2.0	-97.80	317.13	4.86	-92.94
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300000301493	1	38	-2.0	-87.82	355.24	6.38	-81.44
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000301494	0	29	-2.0	-95.30	304.84	3.81	-91.49
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)(F)F)=C1	REAL300000301495	1	35	-2.0	-101.62	327.09	5.58	-96.04
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300000301496	1	36	-2.0	-87.50	342.73	5.07	-82.43
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000301497	0	33	-2.0	-99.48	318.30	4.15	-95.33
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000301499	0	32	-2.0	-91.67	320.77	4.48	-87.19
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000301500	1	38	-2.0	-103.05	342.72	6.15	-96.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=CS1	REAL300000301501	0	29	-2.0	-96.74	303.31	3.83	-92.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000301502	1	36	-2.0	-106.82	338.94	4.87	-101.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)(F)F)=C1	REAL300000301503	1	38	-2.0	-100.03	341.81	6.51	-93.52
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000301504	0	32	-2.0	-95.01	314.67	3.93	-91.08
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000301505	0	36	-2.0	-102.23	340.64	3.89	-98.34
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)(F)F)=C1	REAL300000301506	1	35	-2.0	-92.44	332.38	5.62	-86.82
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000301507	0	32	-2.0	-98.21	320.26	4.69	-93.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C(Cl)=C1	REAL300000301508	0	32	-2.0	-86.73	324.71	5.36	-81.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1F	REAL300000301509	1	32	-2.0	-88.73	316.18	4.84	-83.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300000301510	0	29	-2.0	-90.39	303.93	3.93	-86.46
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000301511	1	32	-2.0	-92.01	318.06	4.87	-87.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C1F	REAL300000301512	0	35	-2.0	-99.15	337.41	5.50	-93.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C(F)=C1	REAL300000301513	0	32	-2.0	-88.38	317.12	4.87	-83.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1Cl	REAL300000301514	1	32	-2.0	-86.67	324.15	5.20	-81.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=CC(F)=C1F	REAL300000301515	1	32	-2.0	-90.49	322.48	4.89	-85.60
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000301516	0	33	-2.0	-100.36	321.37	2.50	-97.86
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000301516	1	33	-2.0	-101.02	320.56	3.32	-97.70
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300000301517	1	35	-2.0	-92.08	333.84	5.57	-86.51
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)(F)F)=C1	REAL300000301518	1	35	-2.0	-97.55	321.72	5.44	-92.11
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000301519	1	35	-2.0	-100.02	336.49	5.45	-94.57
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)(F)F)=C1	REAL300000301520	1	35	-2.0	-89.27	327.07	5.57	-83.70
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000301521	1	38	-2.0	-103.85	344.54	5.87	-97.98
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000301522	0	32	-2.0	-89.70	323.41	4.93	-84.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000301523	1	38	-2.0	-101.75	346.14	6.19	-95.56
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000301524	0	35	-2.0	-98.83	333.13	5.40	-93.43
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000301525	0	35	-2.0	-106.06	336.69	5.49	-100.57
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000301526	1	38	-2.0	-102.66	345.94	5.99	-96.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000301527	0	36	-2.0	-100.68	339.79	5.01	-95.67
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000301528	1	35	-2.0	-89.12	327.66	5.34	-83.78
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)(F)F)=C1	REAL300000301529	1	35	-2.0	-99.18	331.61	5.62	-93.56
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C1F	REAL300000301530	0	32	-2.0	-105.30	315.27	4.82	-100.48
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000301531	1	35	-2.0	-93.77	336.59	5.48	-88.29
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000301532	0	31	-2.0	-97.66	308.64	2.85	-94.81
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)(F)F)=C1	REAL300000301533	0	36	-2.0	-93.03	339.85	4.60	-88.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)=C(Cl)O1	REAL300000301534	0	29	-2.0	-88.92	311.80	3.77	-85.15
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000301535	0	35	-2.0	-94.87	333.79	4.78	-90.09
CC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000301536	1	44	-2.0	-106.65	381.77	5.48	-101.17
CC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000301537	1	44	-2.0	-93.19	377.21	5.46	-87.73
CC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000301538	1	44	-2.0	-105.02	377.25	5.45	-99.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000301539	1	47	-2.0	-107.42	397.32	6.10	-101.32
CC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000301540	0	44	-2.0	-106.87	382.72	5.51	-101.36
CC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000301541	0	41	-2.0	-103.36	370.42	4.47	-98.89
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)(C)C)C=C1	REAL300000301542	1	47	-2.0	-105.60	392.67	6.24	-99.36
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000301543	0	45	-2.0	-103.50	383.88	4.80	-98.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)(C)C)C=C2)=C1	REAL300000301544	0	44	-2.0	-95.84	386.35	5.13	-90.71
CC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000301545	0	41	-2.0	-104.83	368.88	4.50	-100.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000301546	0	44	-2.0	-98.98	380.27	4.60	-94.38
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000301547	0	44	-2.0	-102.26	385.87	5.36	-96.90
CC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000301548	1	44	-2.0	-92.82	381.77	5.49	-87.33
CC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000301549	0	41	-2.0	-94.62	369.50	4.58	-90.04
CC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000301550	1	44	-2.0	-96.09	383.64	5.52	-90.57
CC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000301551	0	44	-2.0	-95.90	382.70	5.52	-90.38
CC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000301552	0	45	-2.0	-104.32	386.95	3.17	-101.15
CC(C)(C)NC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000301552	1	45	-2.0	-109.56	386.17	3.97	-105.59
CC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000301553	1	47	-2.0	-96.11	399.40	6.23	-89.88
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)(C)C)C=C1	REAL300000301554	1	47	-2.0	-103.01	390.53	6.20	-96.81
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)(C)C)C=C1	REAL300000301555	1	47	-2.0	-97.15	392.65	6.23	-90.92
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000301556	0	48	-2.0	-104.82	405.26	5.67	-99.15
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000301557	1	47	-2.0	-96.83	393.24	5.99	-90.84
CC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000301558	0	44	-2.0	-109.60	380.89	5.48	-104.12
CC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000301559	0	43	-2.0	-106.61	373.45	3.58	-103.03
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000301560	0	47	-2.0	-98.84	399.36	5.45	-93.39
CC(C)CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000301563	1	44	-2.0	-112.50	380.35	6.07	-106.43
CC(C)CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000301565	0	44	-2.0	-114.64	385.81	6.13	-108.51
CC(C)CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000301566	0	41	-2.0	-110.68	373.52	5.09	-105.59
CC(C)CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000301568	1	45	-2.0	-110.87	386.98	5.43	-105.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(C)C)C=C2)=C1	REAL300000301569	0	44	-2.0	-106.67	389.74	5.75	-100.92
CC(C)CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000301570	0	41	-2.0	-113.17	371.99	5.10	-108.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000301571	0	44	-2.0	-105.14	383.64	5.20	-99.94
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000301572	1	44	-2.0	-108.27	389.24	5.95	-102.32
CC(C)CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000301573	1	44	-2.0	-98.96	384.87	6.12	-92.84
CC(C)CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000301574	0	41	-2.0	-101.43	372.86	5.18	-96.25
CC(C)CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000301575	1	44	-2.0	-108.07	387.01	6.13	-101.94
CC(C)CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000301576	0	44	-2.0	-103.07	386.07	6.13	-96.94
CC(C)CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000301577	0	45	-2.0	-110.47	390.33	3.76	-106.71
CC(C)CC(=O)NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000301577	1	45	-2.0	-112.11	389.27	4.57	-107.54
CC(C)CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000301578	1	47	-2.0	-102.50	402.51	6.85	-95.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000301581	1	48	-2.0	-111.32	408.62	6.28	-105.04
CC(C)CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000301583	0	44	-2.0	-117.48	384.27	6.10	-111.38
CC(C)CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000301584	0	43	-2.0	-115.14	376.55	4.19	-110.95
CCC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000301585	0	47	-2.0	-105.62	402.47	6.07	-99.55
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1	REAL300000301590	0	28	-2.0	-117.08	275.93	5.46	-111.62
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000301591	0	31	-2.0	-106.23	305.45	4.74	-101.49
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000301595	1	28	-2.0	-106.29	289.66	5.76	-100.53
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)=C1	REAL300000301596	1	31	-2.0	-104.94	310.03	7.09	-97.85
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301597	1	29	-2.0	-117.48	285.53	5.47	-112.01
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000301602	0	38	-2.0	-96.14	356.85	4.17	-91.97
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000301603	0	31	-2.0	-131.05	304.94	5.61	-125.44
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000301605	0	32	-2.0	-105.97	316.74	7.25	-98.72
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000301608	0	39	-2.0	-122.23	358.75	6.21	-116.02
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301608	1	38	-3.0	-176.35	355.51	6.82	-169.53
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301609	1	31	-2.0	-104.45	283.68	3.03	-101.42
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Br)S2)=C1	REAL300000301610	0	25	-2.0	-102.06	281.04	4.92	-97.14
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1Cl	REAL300000301611	1	34	-2.0	-106.38	327.12	7.68	-98.70
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000301616	0	31	-2.0	-103.38	300.38	5.59	-97.79
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301617	1	36	-2.0	-117.83	325.17	4.26	-113.57
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301620	0	30	-2.0	-99.64	282.36	4.12	-95.52
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301622	0	31	-2.0	-97.88	300.51	5.58	-92.30
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1	REAL300000301624	1	28	-2.0	-105.79	297.29	6.26	-99.53
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1	REAL300000301628	1	31	-2.0	-112.82	293.31	6.57	-106.25
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)=C1	REAL300000301631	1	31	-2.0	-104.88	319.30	6.74	-98.14
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301638	1	34	-2.0	-122.54	312.67	6.56	-115.98
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1	REAL300000301640	1	28	-2.0	-107.92	295.75	6.20	-101.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000301645	0	35	-2.0	-133.30	327.28	4.93	-128.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301645	1	34	-3.0	-183.78	324.03	5.54	-178.24
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000301646	0	35	-2.0	-100.60	331.84	6.88	-93.72
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1	REAL300000301647	1	28	-2.0	-110.51	291.04	6.50	-104.01
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300000301648	0	25	-2.0	-101.86	276.41	4.80	-97.06
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301650	1	32	-2.0	-116.55	295.70	4.97	-111.58
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000301651	0	34	-2.0	-131.58	316.32	6.11	-125.47
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301652	1	39	-2.0	-131.29	351.76	3.86	-127.43
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1	REAL300000301653	1	28	-2.0	-104.30	285.51	5.36	-98.94
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1	REAL300000301655	1	28	-2.0	-110.77	280.56	5.74	-105.03
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000301660	0	25	-2.0	-107.69	259.36	4.20	-103.49
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300000301662	0	30	-2.0	-121.94	288.53	6.58	-115.36
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000301663	0	31	-2.0	-124.12	312.49	5.78	-118.34
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000301663	1	30	-3.0	-173.51	308.97	6.30	-167.21
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000301664	0	31	-2.0	-127.78	312.94	5.98	-121.80
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1	REAL300000301667	1	28	-2.0	-105.54	279.34	5.30	-100.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000301678	1	28	-2.0	-108.85	281.26	4.98	-103.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000301680	0	37	-2.0	-137.26	331.38	6.54	-130.72
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301681	1	32	-2.0	-109.40	312.42	5.49	-103.91
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=C1	REAL300000301683	0	30	-2.0	-112.22	305.23	7.09	-105.13
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301684	0	31	-2.0	-97.96	304.01	5.29	-92.67
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301684	1	30	-3.0	-175.33	301.36	5.80	-169.53
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1	REAL300000301685	1	25	-2.0	-100.82	290.28	5.34	-95.48
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1	REAL300000301688	1	28	-2.0	-108.72	279.33	5.31	-103.41
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000301689	0	37	-2.0	-101.31	343.99	7.17	-94.14
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301698	0	27	-3.0	-172.38	289.08	4.77	-167.61
O=C([O-])C1=CSC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301698	1	28	-2.0	-97.79	295.29	4.68	-93.11
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000301701	0	34	-2.0	-129.63	316.87	6.45	-123.18
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301702	1	34	-2.0	-108.13	304.13	4.23	-103.90
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301712	1	37	-2.0	-120.98	339.59	6.85	-114.13
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=CS1	REAL300000301717	1	31	-2.0	-119.08	307.01	5.48	-113.60
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000301720	0	35	-2.0	-101.28	331.51	5.87	-95.41
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC=C2F)=C1	REAL300000301725	1	28	-2.0	-114.26	272.93	5.24	-109.02
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301729	0	34	-2.0	-123.45	321.57	3.66	-119.79
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)=C2N=C1	REAL300000301730	1	36	-2.0	-126.28	328.78	6.48	-119.80
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1	REAL300000301733	1	32	-2.0	-112.10	312.19	5.45	-106.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C([N+](=O)[O-])=C1	REAL300000301737	1	34	-2.0	-117.28	317.97	5.87	-111.41
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000301749	1	35	-2.0	-121.52	329.28	4.12	-117.40
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C1OC	REAL300000301753	1	36	-2.0	-110.02	331.64	4.45	-105.57
CN1C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000301755	0	32	-2.0	-98.17	308.74	5.00	-93.17
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1Cl	REAL300000301756	0	28	-2.0	-116.14	284.90	4.76	-111.38
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000301759	0	35	-2.0	-134.39	322.65	4.04	-130.35
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301760	1	34	-2.0	-111.33	335.29	6.39	-104.94
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)C=N2)C=C1	REAL300000301773	1	38	-2.0	-107.59	349.40	6.99	-100.60
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C1	REAL300000301774	1	35	-2.0	-101.59	326.96	5.61	-95.98
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301778	0	31	-2.0	-110.15	311.21	5.34	-104.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301778	1	30	-3.0	-167.79	305.00	5.43	-162.36
CC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000301781	0	37	-2.0	-131.24	333.08	6.99	-124.25
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1	REAL300000301785	1	28	-2.0	-111.16	289.09	5.74	-105.42
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301788	1	34	-2.0	-103.56	323.90	5.64	-97.92
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)=C1	REAL300000301792	1	28	-2.0	-102.38	307.78	7.01	-95.37
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301793	1	31	-2.0	-114.49	294.33	5.90	-108.59
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301796	0	33	-2.0	-121.22	305.82	7.53	-113.69
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)=C1	REAL300000301797	1	36	-2.0	-110.67	332.74	4.42	-106.25
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(C(F)(F)F)=C1	REAL300000301798	1	32	-2.0	-104.03	314.02	6.97	-97.06
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301801	1	36	-2.0	-126.58	328.71	6.49	-120.09
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=CS1	REAL300000301804	0	28	-2.0	-123.70	293.44	4.68	-119.02
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1Cl	REAL300000301805	1	31	-2.0	-111.25	309.80	7.08	-104.17
COC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=CC(C(=O)[O-])=C1OC	REAL300000301806	0	39	-2.0	-97.63	358.81	5.40	-92.23
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=C1	REAL300000301808	1	30	-2.0	-97.82	308.78	6.41	-91.41
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000301809	0	35	-2.0	-102.66	327.66	5.65	-97.01
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Br)C=CS2)=C1	REAL300000301812	0	25	-2.0	-106.55	279.74	4.75	-101.80
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1	REAL300000301815	0	30	-2.0	-115.38	292.34	6.62	-108.76
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301816	1	42	-2.0	-119.51	377.89	3.98	-115.53
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000301817	0	41	-2.0	-137.25	354.05	7.84	-129.41
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000301818	0	40	-2.0	-129.25	354.11	7.61	-121.64
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1	REAL300000301820	0	30	-2.0	-117.90	300.82	6.55	-111.35
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301821	0	37	-2.0	-119.52	348.37	3.64	-115.88
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301826	1	32	-2.0	-102.41	301.29	4.28	-98.13
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000301827	0	37	-2.0	-129.37	334.46	7.31	-122.06
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1	REAL300000301828	1	31	-2.0	-113.26	306.95	6.10	-107.16
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000301830	0	38	-2.0	-136.66	344.39	6.08	-130.58
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301830	1	37	-3.0	-183.21	346.32	6.31	-176.90
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000301831	0	33	-3.0	-189.47	328.88	6.14	-183.33
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000301832	0	31	-2.0	-102.48	315.31	4.95	-97.53
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000301833	0	38	-2.0	-131.37	344.96	7.58	-123.79
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000301835	0	36	-2.0	-121.48	327.61	7.81	-113.67
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1	REAL300000301837	0	28	-2.0	-106.60	282.35	5.53	-101.07
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000301838	0	38	-2.0	-116.05	363.52	4.12	-111.93
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000301839	0	38	-2.0	-107.20	360.65	4.16	-103.04
CC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C(C(=O)[O-])O1	REAL300000301840	0	31	-2.0	-129.19	302.92	4.33	-124.86
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C(C(=O)[O-])O1	REAL300000301840	1	30	-3.0	-169.67	298.90	4.89	-164.78
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1	REAL300000301841	0	31	-2.0	-129.96	295.63	4.39	-125.57
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301842	1	34	-2.0	-114.21	327.68	5.88	-108.33
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301843	1	38	-2.0	-118.47	338.96	6.56	-111.91
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1	REAL300000301847	0	30	-2.0	-121.03	301.15	7.32	-113.71
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000301850	0	37	-2.0	-105.03	342.62	5.36	-99.67
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1	REAL300000301852	1	27	-2.0	-100.45	283.77	3.98	-96.47
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301855	1	34	-2.0	-120.33	333.61	2.76	-117.57
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1	REAL300000301856	0	30	-2.0	-124.95	293.45	6.80	-118.15
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301857	0	35	-2.0	-104.66	328.51	4.27	-100.39
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301857	1	34	-3.0	-183.97	324.81	4.83	-179.14
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000301858	0	39	-2.0	-113.74	353.30	6.19	-107.55
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000301859	1	35	-2.0	-107.99	328.00	6.31	-101.68
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000301860	1	38	-2.0	-107.24	353.41	6.76	-100.48
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000301861	0	31	-2.0	-124.32	317.01	5.80	-118.52
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1	REAL300000301862	1	27	-2.0	-100.21	268.85	3.46	-96.75
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)=C1	REAL300000301863	1	28	-2.0	-108.61	294.22	5.86	-102.75
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301866	0	31	-2.0	-107.88	315.48	4.85	-103.03
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)=C1	REAL300000301869	0	34	-2.0	-112.11	340.67	5.89	-106.22
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1	REAL300000301870	1	27	-2.0	-101.54	292.58	4.31	-97.23
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=CC=C1OCC(=O)[O-]	REAL300000301871	0	38	-2.0	-102.01	351.52	6.57	-95.44
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)C=C12	REAL300000301874	1	32	-2.0	-99.59	307.18	2.15	-97.44
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000301875	1	28	-2.0	-98.27	283.39	3.70	-94.57
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1	REAL300000301877	1	28	-2.0	-112.11	279.20	5.30	-106.81
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000301878	0	32	-2.0	-112.18	305.42	4.76	-107.42
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301879	1	34	-2.0	-117.05	329.34	7.07	-109.98
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1	REAL300000301880	0	30	-2.0	-115.44	302.67	7.07	-108.37
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000301881	0	34	-2.0	-119.55	322.00	6.49	-113.06
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1	REAL300000301882	1	34	-2.0	-115.48	310.56	4.83	-110.65
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=CN1C	REAL300000301883	0	31	-2.0	-120.25	291.98	4.11	-116.14
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000301884	0	35	-2.0	-106.23	337.81	5.93	-100.30
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1	REAL300000301885	1	32	-2.0	-111.96	305.45	5.23	-106.73
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000301887	1	31	-2.0	-106.38	293.51	3.76	-102.62
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)=CN=C21	REAL300000301889	1	36	-2.0	-100.61	337.11	2.59	-98.02
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301891	1	34	-2.0	-116.94	319.01	6.62	-110.32
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=C1	REAL300000301892	0	36	-2.0	-117.12	333.00	5.73	-111.39
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000301893	1	31	-2.0	-107.76	311.65	6.24	-101.52
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1	REAL300000301895	0	28	-2.0	-108.80	299.50	5.30	-103.50
CCOC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000301896	0	38	-2.0	-103.09	349.59	6.56	-96.53
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1	REAL300000301899	1	28	-2.0	-105.66	286.97	5.81	-99.85
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)CCOCC(F)(F)F)=C1	REAL300000301901	1	31	-2.0	-101.90	305.77	3.43	-98.47
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000301906	0	34	-2.0	-112.83	329.08	3.42	-109.41
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)CC2CCCO2)=C1	REAL300000301908	1	32	-2.0	-110.60	286.80	3.40	-107.20
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)CC2CCCCO2)=C1	REAL300000301909	1	35	-2.0	-109.25	304.30	4.47	-104.78
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C(F)C=C1F	REAL300000301912	1	34	-2.0	-102.42	332.23	5.92	-96.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000301913	1	31	-2.0	-113.86	294.34	5.91	-107.95
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)O1	REAL300000301916	0	31	-2.0	-103.05	306.98	3.97	-99.08
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1	REAL300000301917	1	33	-2.0	-126.26	307.37	5.82	-120.44
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000301918	0	34	-2.0	-115.95	334.28	5.82	-110.13
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1	REAL300000301919	1	28	-2.0	-100.44	285.65	5.36	-95.08
CC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C(C(=O)[O-])S1	REAL300000301920	0	31	-2.0	-124.41	311.71	5.55	-118.86
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301922	1	32	-2.0	-111.16	310.04	5.04	-106.12
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301924	0	34	-2.0	-118.71	326.51	2.72	-115.99
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301930	1	40	-2.0	-108.87	346.55	5.80	-103.07
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)SC=C1	REAL300000301931	1	28	-2.0	-108.99	275.66	5.00	-103.99
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000301933	1	37	-2.0	-108.36	325.95	5.10	-103.26
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C1[N+](=O)[O-]	REAL300000301941	1	33	-2.0	-106.82	319.81	6.54	-100.28
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301946	0	32	-2.0	-111.14	305.11	5.63	-105.51
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000301952	1	29	-2.0	-104.91	293.73	5.63	-99.28
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)=C1	REAL300000301953	1	31	-2.0	-112.70	305.87	7.23	-105.47
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000301955	1	34	-2.0	-106.60	312.19	4.29	-102.31
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301956	1	33	-2.0	-113.55	306.54	1.52	-112.03
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000301958	1	34	-2.0	-111.55	326.81	3.97	-107.58
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=CN1	REAL300000301959	0	34	-2.0	-117.47	311.40	3.63	-113.84
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C([N+](=O)[O-])=C1	REAL300000301960	0	31	-2.0	-112.07	306.72	6.93	-105.14
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=NN1C1=CC=CC=N1	REAL300000301962	1	37	-2.0	-111.57	342.00	6.43	-105.14
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000301963	1	39	-2.0	-103.72	350.05	4.83	-98.89
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301964	1	32	-2.0	-106.96	324.25	6.47	-100.49
CC(C)OCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000301967	1	34	-2.0	-102.78	306.47	3.72	-99.06
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C(Cl)=C1	REAL300000301970	0	31	-2.0	-107.13	312.44	5.77	-101.36
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000301971	0	31	-2.0	-107.38	304.98	5.62	-101.76
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000301973	1	35	-2.0	-111.08	332.39	6.48	-104.60
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000301974	0	28	-2.0	-107.64	301.62	5.56	-102.08
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000301980	1	39	-2.0	-112.78	355.17	5.96	-106.82
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=C1	REAL300000301981	1	31	-2.0	-102.31	312.25	3.25	-99.06
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000301982	0	28	-2.0	-108.86	294.36	4.78	-104.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000301982	1	27	-3.0	-166.34	288.16	4.87	-161.47
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000301983	0	37	-2.0	-118.98	332.18	6.44	-112.54
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2)=C1	REAL300000301984	0	31	-2.0	-120.96	306.85	5.65	-115.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=C1F	REAL300000301985	0	34	-2.0	-98.58	324.26	5.92	-92.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1F	REAL300000301985	1	33	-3.0	-176.98	321.65	6.44	-170.54
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000301988	0	31	-2.0	-98.55	303.96	5.30	-93.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000301988	1	30	-3.0	-164.70	301.36	5.80	-158.90
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000301989	0	31	-2.0	-102.97	312.96	5.98	-96.99
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=CS1	REAL300000301993	1	31	-2.0	-108.21	314.70	4.87	-103.34
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000301995	0	30	-2.0	-105.69	291.70	3.78	-101.91
CC(=O)NC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=CC=C1[O-]	REAL300000301998	1	36	-2.0	-109.53	334.24	1.94	-107.59
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000302001	0	34	-2.0	-120.95	330.71	6.88	-114.07
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302003	0	28	-2.0	-102.96	300.62	5.51	-97.45
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=C1	REAL300000302005	0	31	-2.0	-106.32	323.07	7.13	-99.19
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000302008	0	39	-2.0	-99.41	364.12	6.99	-92.42
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302009	0	34	-2.0	-104.24	325.32	4.64	-99.60
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000302011	0	31	-2.0	-95.46	311.28	5.68	-89.78
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000302012	0	33	-2.0	-94.69	328.69	6.26	-88.43
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=C1	REAL300000302013	1	31	-2.0	-111.21	320.77	7.06	-104.15
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302014	1	38	-2.0	-118.46	350.37	5.63	-112.83
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C(F)C=C1F	REAL300000302017	1	31	-2.0	-105.74	299.64	5.94	-99.80
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=C1	REAL300000302018	1	34	-2.0	-117.85	319.22	8.25	-109.60
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1	REAL300000302020	1	30	-2.0	-106.96	299.43	4.66	-102.30
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C1[N+](=O)[O-]	REAL300000302021	1	33	-2.0	-104.36	327.45	7.03	-97.33
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000302023	0	35	-2.0	-109.39	345.28	4.28	-105.11
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000302025	0	31	-3.0	-191.54	308.28	4.22	-187.32
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000302025	1	32	-2.0	-124.35	311.50	3.38	-120.97
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302027	1	33	-2.0	-110.43	331.32	4.58	-105.85
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000302028	0	34	-2.0	-104.14	322.63	6.37	-97.77
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)O1	REAL300000302030	0	34	-2.0	-103.29	328.84	4.90	-98.39
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1	REAL300000302031	1	30	-2.0	-98.36	302.07	5.91	-92.45
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302032	1	33	-2.0	-118.58	323.27	6.24	-112.34
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302035	1	31	-2.0	-118.13	310.17	5.89	-112.24
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)SC=C1	REAL300000302036	0	29	-2.0	-117.00	289.60	3.47	-113.53
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)OC2=CC=C(F)C=C12	REAL300000302038	0	34	-2.0	-109.27	324.21	6.29	-102.98
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000302039	0	31	-2.0	-111.57	297.20	5.59	-105.98
CC1=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)C=CC=C2C=C1	REAL300000302040	1	36	-2.0	-128.19	328.94	6.44	-121.75
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C2=CC(Cl)=CC=C2S1	REAL300000302041	1	34	-2.0	-110.66	335.13	8.10	-102.56
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)SC2=CC=CC(F)=C12	REAL300000302046	1	34	-2.0	-112.57	324.93	7.41	-105.16
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1F	REAL300000302048	1	33	-2.0	-106.86	321.45	6.55	-100.31
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302049	0	30	-2.0	-114.09	300.68	3.93	-110.16
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)C=NC2=C1Cl	REAL300000302051	1	33	-2.0	-98.88	328.41	5.14	-93.74
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)=C1	REAL300000302052	1	28	-2.0	-113.12	287.07	6.12	-107.00
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302054	1	28	-2.0	-98.93	282.40	4.14	-94.79
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)N=C1Cl	REAL300000302055	0	28	-2.0	-114.57	287.77	4.02	-110.55
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000302057	0	31	-2.0	-94.92	321.17	6.11	-88.81
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1	REAL300000302058	1	29	-2.0	-114.62	283.27	3.94	-110.68
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000302059	0	36	-2.0	-123.05	317.72	7.99	-115.06
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)S2)=CS1	REAL300000302060	0	34	-2.0	-108.74	346.89	5.74	-103.00
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302061	1	29	-2.0	-100.15	289.65	3.02	-97.13
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000302062	0	27	-2.0	-105.41	275.96	3.01	-102.40
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000302065	0	34	-2.0	-97.58	311.34	6.32	-91.26
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302066	1	35	-2.0	-105.29	319.82	2.23	-103.06
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=CC(C(=O)[O-])=C1F	REAL300000302068	0	34	-2.0	-131.71	325.25	6.23	-125.48
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000302069	0	34	-2.0	-105.14	316.90	6.46	-98.68
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302070	1	34	-2.0	-117.57	326.36	6.29	-111.28
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000302072	0	29	-2.0	-105.84	296.73	5.86	-99.98
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000302074	1	31	-2.0	-108.56	299.64	5.95	-102.61
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=CC=C1[N+](=O)[O-]	REAL300000302075	1	34	-2.0	-98.32	322.96	5.92	-92.40
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=CC(C(=O)[O-])=C1C	REAL300000302076	0	37	-2.0	-98.36	332.98	6.63	-91.73
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000302079	0	33	-2.0	-135.43	327.12	6.67	-128.76
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1	REAL300000302080	0	31	-2.0	-106.28	312.76	6.69	-99.59
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000302082	0	31	-2.0	-93.36	310.37	5.35	-88.01
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000302082	1	30	-3.0	-166.72	307.63	5.87	-160.85
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302084	1	34	-2.0	-114.01	329.39	7.07	-106.94
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1	REAL300000302085	0	27	-2.0	-106.47	286.41	4.62	-101.85
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302086	0	34	-2.0	-117.94	313.04	5.58	-112.36
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000302087	1	33	-2.0	-100.60	318.17	4.01	-96.59
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1	REAL300000302088	1	27	-2.0	-98.38	292.85	4.37	-94.01
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C(C)=C1C(=O)[O-]	REAL300000302089	0	37	-2.0	-105.72	331.70	6.60	-99.12
CC1=CC(F)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000302090	0	34	-2.0	-99.53	323.88	5.93	-93.60
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000302090	1	33	-3.0	-177.97	321.21	6.43	-171.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=C1Cl	REAL300000302091	0	34	-2.0	-125.74	331.16	6.34	-119.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1Cl	REAL300000302091	1	33	-3.0	-175.50	327.65	6.87	-168.63
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302092	0	34	-2.0	-117.05	323.57	5.91	-111.14
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302092	1	33	-3.0	-187.52	320.93	6.43	-181.09
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1	REAL300000302093	0	28	-2.0	-96.96	294.67	5.66	-91.30
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000302095	1	35	-2.0	-104.61	327.19	2.81	-101.80
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C([N+](=O)[O-])=N1	REAL300000302096	0	33	-2.0	-114.99	317.75	5.99	-109.00
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)=C1	REAL300000302097	1	28	-2.0	-104.83	290.32	5.95	-98.88
CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000302099	0	37	-2.0	-132.29	334.67	6.77	-125.52
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1	REAL300000302100	1	39	-2.0	-106.51	344.59	3.74	-102.77
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1C#N	REAL300000302103	1	32	-2.0	-118.52	304.68	5.98	-112.54
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)=C1	REAL300000302104	1	31	-2.0	-101.62	319.31	6.73	-94.89
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000302105	0	34	-2.0	-117.20	318.95	5.15	-112.05
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000302106	1	37	-2.0	-109.20	340.42	6.83	-102.37
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302107	0	34	-2.0	-117.94	314.92	5.94	-112.00
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300000302108	1	36	-2.0	-104.75	325.47	2.95	-101.80
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302110	1	36	-2.0	-107.74	340.86	7.23	-100.51
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1F	REAL300000302111	1	31	-2.0	-115.35	293.24	5.89	-109.46
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1	REAL300000302113	0	35	-2.0	-121.16	313.38	5.23	-115.93
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1CC(=O)[O-]	REAL300000302114	0	38	-2.0	-101.32	350.98	5.72	-95.60
COC1=CC=C([O-])C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302116	1	33	-2.0	-104.54	309.38	2.91	-101.63
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1Cl	REAL300000302117	1	31	-2.0	-111.79	299.30	6.32	-105.47
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C(C)O1	REAL300000302119	1	31	-2.0	-106.96	290.41	4.75	-102.21
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)=C1	REAL300000302120	1	34	-2.0	-115.00	313.68	2.85	-112.15
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C(C(=O)OC)O1	REAL300000302125	1	37	-2.0	-102.77	344.42	5.59	-97.18
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302127	1	31	-2.0	-109.82	301.07	5.61	-104.21
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C2=NC=CC=C2C=C1	REAL300000302129	1	36	-2.0	-126.33	321.06	6.96	-119.37
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302132	1	34	-2.0	-113.28	319.06	6.62	-106.66
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1	REAL300000302133	1	30	-2.0	-95.75	300.16	5.87	-89.88
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000302134	0	34	-2.0	-98.87	324.49	6.38	-92.49
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C(C)O1	REAL300000302136	1	34	-2.0	-102.94	325.30	4.75	-98.19
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1	REAL300000302137	1	27	-2.0	-100.45	279.20	3.88	-96.57
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=CC(C(=O)[O-])=C1Cl	REAL300000302138	0	34	-2.0	-128.84	331.63	6.54	-122.30
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)N=C1C	REAL300000302139	0	34	-2.0	-120.19	313.17	4.99	-115.20
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302141	1	31	-2.0	-111.10	301.98	6.40	-104.70
CCN1C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000302142	0	35	-2.0	-124.09	330.13	5.86	-118.23
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302143	0	31	-2.0	-107.29	307.31	3.92	-103.37
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302144	1	40	-2.0	-109.40	346.91	5.74	-103.66
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1	REAL300000302147	0	28	-2.0	-113.80	283.49	5.99	-107.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(Cl)=N1	REAL300000302148	1	30	-2.0	-108.58	297.33	4.50	-104.08
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302149	1	33	-2.0	-107.77	316.48	5.37	-102.40
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)=C1	REAL300000302150	1	35	-2.0	-110.00	332.49	6.39	-103.61
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000302152	0	30	-2.0	-104.94	297.44	3.75	-101.19
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)C=C12	REAL300000302153	1	35	-2.0	-98.93	328.67	2.89	-96.04
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000302154	0	30	-2.0	-103.45	305.58	5.53	-97.92
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=CN=C1Cl	REAL300000302156	1	31	-2.0	-98.76	308.28	3.15	-95.61
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000302159	1	30	-2.0	-98.40	302.16	4.41	-93.99
CC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C(C)=C1CC(=O)[O-]	REAL300000302161	0	43	-2.0	-99.39	361.54	8.31	-91.08
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302163	1	43	-2.0	-108.50	358.98	6.16	-102.34
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(Cl)=C1	REAL300000302165	1	29	-2.0	-102.04	301.32	6.13	-95.91
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1	REAL300000302166	1	31	-2.0	-118.68	295.37	5.51	-113.17
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302167	1	33	-2.0	-105.41	317.40	4.04	-101.37
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302168	1	39	-2.0	-118.96	357.57	5.28	-113.68
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1	REAL300000302169	0	25	-2.0	-102.92	271.81	3.91	-99.01
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C(C2=CC=CC=C2)S1	REAL300000302170	0	37	-2.0	-121.83	350.62	6.61	-115.22
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C(C2=CC=CC=C2)O1	REAL300000302171	0	37	-2.0	-121.22	343.48	4.17	-117.05
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1	REAL300000302174	0	28	-2.0	-105.90	288.51	5.59	-100.31
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1	REAL300000302179	1	28	-2.0	-101.78	302.60	6.29	-95.49
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302180	0	28	-2.0	-102.59	296.40	5.41	-97.18
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(OC)=C1	REAL300000302181	1	38	-2.0	-110.70	350.42	5.63	-105.07
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1	REAL300000302183	1	31	-2.0	-104.48	311.68	6.24	-98.24
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1	REAL300000302185	1	31	-2.0	-105.22	305.36	4.09	-101.13
COC(=O)C(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F)C1=CC=CC=C1	REAL300000302188	1	40	-2.0	-113.53	357.82	7.95	-105.58
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300000302189	1	36	-2.0	-103.90	336.88	6.47	-97.43
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(C)=CS1	REAL300000302191	1	34	-2.0	-119.31	322.65	6.36	-112.95
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1	REAL300000302193	0	27	-2.0	-116.07	280.13	5.57	-110.50
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302194	1	36	-2.0	-115.53	340.79	7.22	-108.31
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302195	0	27	-2.0	-96.24	261.91	1.60	-94.64
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300000302197	1	27	-2.0	-99.87	288.60	4.95	-94.92
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300000302202	1	32	-2.0	-112.68	295.56	4.64	-108.04
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302203	1	29	-2.0	-105.34	301.35	6.14	-99.20
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000302204	1	31	-2.0	-105.69	311.39	4.26	-101.43
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302206	1	36	-2.0	-123.41	321.40	5.67	-117.74
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302208	1	31	-2.0	-114.11	287.03	6.15	-107.96
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)=C1	REAL300000302210	1	32	-2.0	-123.23	305.82	5.26	-117.97
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302211	1	41	-2.0	-108.42	357.64	6.65	-101.77
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)=C1	REAL300000302212	1	28	-2.0	-106.15	294.23	5.86	-100.29
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)C=CC=C12	REAL300000302213	1	36	-2.0	-126.21	325.32	6.38	-119.83
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1	REAL300000302216	1	29	-2.0	-116.49	292.20	3.50	-112.99
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302217	1	31	-2.0	-105.98	292.02	2.65	-103.33
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)=C1	REAL300000302218	1	28	-2.0	-110.84	293.51	5.85	-104.99
COCCOCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302220	1	42	-2.0	-107.39	375.30	2.56	-104.83
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302223	1	34	-2.0	-107.21	317.84	6.46	-100.75
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000302224	0	34	-2.0	-94.40	330.09	6.52	-87.88
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302226	1	37	-2.0	-123.39	334.53	7.48	-115.91
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302227	1	36	-2.0	-107.23	324.55	3.49	-103.74
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=C1	REAL300000302228	1	34	-2.0	-117.02	328.65	6.72	-110.30
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000302230	0	31	-2.0	-112.57	312.40	2.66	-109.91
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000302235	1	33	-2.0	-109.11	324.23	0.80	-108.31
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1	REAL300000302238	1	28	-2.0	-103.34	297.29	6.25	-97.09
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(N)=NO1	REAL300000302240	0	29	-2.0	-99.57	274.97	2.56	-97.01
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F)OCC(=O)N2	REAL300000302241	1	38	-2.0	-112.65	346.40	2.20	-110.45
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=C1	REAL300000302242	1	28	-2.0	-101.49	297.45	6.57	-94.92
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302243	1	32	-2.0	-112.34	312.42	5.49	-106.85
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=NO1	REAL300000302246	1	39	-2.0	-108.87	348.70	5.98	-102.89
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)=C1	REAL300000302250	1	30	-2.0	-100.35	317.33	6.41	-93.94
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000302251	0	26	-2.0	-99.78	279.95	4.74	-95.04
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)=C1	REAL300000302252	0	30	-2.0	-96.60	313.59	6.29	-90.31
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000302255	1	34	-2.0	-108.09	327.68	5.90	-102.19
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302257	1	36	-2.0	-118.43	343.57	7.03	-111.40
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1	REAL300000302259	1	27	-2.0	-94.90	285.17	3.86	-91.04
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000302260	1	32	-2.0	-111.25	302.41	4.54	-106.71
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1[N+](=O)[O-]	REAL300000302261	0	36	-2.0	-119.28	328.19	8.59	-110.69
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1	REAL300000302263	1	34	-2.0	-108.40	313.16	5.69	-102.71
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)=C1	REAL300000302264	0	32	-2.0	-114.74	315.20	6.04	-108.70
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)N(C)N=C1	REAL300000302268	1	31	-2.0	-102.28	284.31	3.64	-98.64
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302269	1	37	-2.0	-113.63	349.55	6.81	-106.82
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)O1	REAL300000302272	0	26	-2.0	-100.64	271.36	3.72	-96.92
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C(F)C=C1C	REAL300000302273	1	40	-2.0	-108.78	365.58	7.36	-101.42
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302276	1	39	-2.0	-117.96	350.76	4.69	-113.27
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=CC=C1C(=O)[O-]	REAL300000302277	0	34	-2.0	-100.99	317.00	6.17	-94.82
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1	REAL300000302279	1	28	-2.0	-108.81	289.65	5.76	-103.05
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302281	0	39	-2.0	-107.64	345.58	6.31	-101.33
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302282	1	37	-2.0	-111.12	344.96	7.95	-103.17
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302283	1	37	-2.0	-110.93	340.79	7.66	-103.27
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)=C1	REAL300000302284	1	31	-2.0	-107.30	310.03	7.09	-100.21
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C1	REAL300000302285	1	31	-2.0	-111.43	303.99	6.55	-104.88
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302287	1	34	-2.0	-122.51	328.13	7.19	-115.32
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)N(C)N=C1	REAL300000302288	0	37	-2.0	-109.04	337.49	5.23	-103.81
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302289	1	41	-2.0	-118.09	372.23	6.55	-111.54
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)=C2O1	REAL300000302291	1	39	-2.0	-122.07	345.16	6.40	-115.67
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1	REAL300000302293	1	31	-2.0	-113.96	294.03	3.82	-110.14
N#CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302294	1	29	-2.0	-113.64	305.22	5.98	-107.66
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1	REAL300000302297	0	28	-2.0	-110.08	289.80	6.05	-104.03
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302298	1	34	-2.0	-133.93	311.84	2.76	-131.17
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1	REAL300000302300	0	25	-2.0	-107.46	275.41	4.64	-102.82
CC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302301	0	28	-2.0	-107.90	281.00	4.86	-103.04
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CNN=C2Cl)=C1	REAL300000302303	0	25	-2.0	-104.61	265.71	1.99	-102.62
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=C1	REAL300000302304	1	33	-2.0	-117.28	321.95	6.26	-111.02
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1	REAL300000302305	1	27	-2.0	-103.78	274.35	3.29	-100.49
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302307	1	37	-2.0	-103.96	331.87	4.24	-99.72
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C([N+](=O)[O-])=C1	REAL300000302309	0	35	-3.0	-171.39	339.15	7.92	-163.47
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C([N+](=O)[O-])=C1	REAL300000302309	1	36	-2.0	-99.50	341.85	7.80	-91.70
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1	REAL300000302312	0	31	-2.0	-105.54	303.61	5.66	-99.88
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1	REAL300000302313	0	31	-2.0	-111.63	318.73	7.25	-104.38
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302314	1	33	-2.0	-118.59	308.59	4.76	-113.83
CC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302315	0	27	-2.0	-101.77	275.92	3.47	-98.30
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])=C1	REAL300000302316	0	30	-2.0	-105.58	311.10	7.15	-98.43
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1	REAL300000302318	0	32	-2.0	-96.65	318.60	4.62	-92.03
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000302319	1	34	-2.0	-103.82	323.36	6.59	-97.23
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)=C1	REAL300000302320	1	30	-2.0	-100.14	316.22	4.98	-95.16
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1	REAL300000302321	1	32	-2.0	-134.82	298.61	2.45	-132.37
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000302323	0	25	-2.0	-109.61	265.71	4.24	-105.37
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1	REAL300000302325	1	34	-2.0	-122.22	328.26	3.60	-118.62
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(C(F)(F)F)=N1	REAL300000302326	0	31	-2.0	-108.74	306.07	4.03	-104.71
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F)C1=CC=CC=C1	REAL300000302329	1	38	-2.0	-106.12	338.07	5.76	-100.36
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)CCCCC1	REAL300000302330	1	43	-2.0	-112.95	353.28	7.03	-105.92
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C(F)C=C1[N+](=O)[O-]	REAL300000302331	1	33	-2.0	-101.08	317.13	6.42	-94.66
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000302332	0	34	-2.0	-136.06	318.41	6.02	-130.04
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1	REAL300000302333	1	29	-2.0	-107.54	300.32	4.48	-103.06
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000302334	0	32	-3.0	-190.78	319.62	7.59	-183.19
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000302334	1	33	-2.0	-100.35	325.64	7.42	-92.93
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)CC1	REAL300000302335	1	32	-2.0	-111.18	288.99	4.23	-106.95
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)=C1	REAL300000302336	1	32	-2.0	-109.13	318.72	5.04	-104.09
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302338	1	28	-2.0	-132.83	272.78	1.12	-131.71
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C(F)C=C1C	REAL300000302339	1	37	-2.0	-108.59	343.72	6.43	-102.16
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1	REAL300000302340	0	28	-2.0	-100.19	300.01	5.38	-94.81
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1	REAL300000302341	0	33	-2.0	-114.24	304.42	2.11	-112.13
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000302342	1	31	-2.0	-110.17	297.54	5.80	-104.37
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=CN=C1C	REAL300000302343	1	36	-2.0	-101.26	333.67	4.52	-96.74
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1	REAL300000302344	1	29	-2.0	-98.15	290.83	4.04	-94.11
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C(Br)N1C	REAL300000302346	0	31	-2.0	-118.44	309.20	4.57	-113.87
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=NN1C	REAL300000302353	1	31	-2.0	-106.81	288.10	3.41	-103.40
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302356	1	31	-2.0	-107.24	290.81	3.54	-103.70
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302358	1	28	-2.0	-99.54	283.31	3.78	-95.76
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302360	1	36	-2.0	-105.18	315.74	5.18	-100.00
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1	REAL300000302362	0	28	-2.0	-105.64	283.10	2.70	-102.94
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1	REAL300000302363	0	34	-2.0	-103.45	313.73	5.12	-98.33
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)CCCC1	REAL300000302366	1	40	-2.0	-110.87	340.87	6.38	-104.49
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000302368	1	36	-2.0	-111.85	341.21	4.83	-107.02
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1	REAL300000302369	1	36	-2.0	-99.46	338.58	3.74	-95.72
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=C1	REAL300000302371	1	31	-2.0	-104.83	304.64	2.75	-102.08
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000302374	0	32	-2.0	-117.51	319.01	1.82	-115.69
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000302375	0	31	-2.0	-117.15	302.17	5.24	-111.91
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000302375	1	30	-3.0	-186.50	299.52	5.76	-180.74
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1	REAL300000302376	0	25	-2.0	-113.86	267.89	3.13	-110.73
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1	REAL300000302377	1	30	-2.0	-120.51	298.63	4.60	-115.91
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1	REAL300000302380	1	34	-2.0	-117.97	317.95	7.50	-110.47
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300000302381	1	31	-2.0	-113.32	307.57	4.26	-109.06
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302382	1	34	-2.0	-116.47	335.85	6.71	-109.76
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000302385	1	32	-2.0	-106.73	311.84	5.30	-101.43
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1	REAL300000302386	1	33	-2.0	-119.71	303.74	5.01	-114.70
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)=C1	REAL300000302389	1	32	-2.0	-106.99	322.16	5.76	-101.23
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F)OC	REAL300000302390	1	34	-2.0	-106.98	299.78	3.85	-103.13
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302391	1	41	-2.0	-108.75	356.14	6.62	-102.13
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302392	1	40	-2.0	-107.40	336.86	5.08	-102.32
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)CCOCC2CC2)=C1	REAL300000302393	1	35	-2.0	-102.75	317.87	4.55	-98.20
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000302395	0	31	-2.0	-116.12	297.34	6.14	-109.98
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1	REAL300000302396	1	27	-2.0	-101.39	292.47	4.37	-97.02
CN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1Br	REAL300000302397	0	28	-2.0	-103.15	291.02	3.33	-99.82
CS(=O)(=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F)C1=CC=CC=C1	REAL300000302399	1	35	-2.0	-130.85	329.61	3.89	-126.96
CC1=C(F)C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000302400	0	34	-2.0	-94.61	321.42	6.14	-88.47
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F)C1CC1	REAL300000302401	1	35	-2.0	-107.55	310.26	4.57	-102.98
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302402	1	32	-2.0	-112.47	302.09	5.03	-107.44
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302405	1	44	-2.0	-118.31	371.86	7.29	-111.02
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F)C1CCOCC1	REAL300000302406	1	42	-2.0	-109.51	349.30	3.84	-105.67
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302408	0	27	-2.0	-99.51	266.19	3.10	-96.41
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC([O-])=CC(C(F)(F)F)=C2)=C1	REAL300000302409	1	32	-2.0	-95.08	318.18	3.93	-91.15
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302413	1	37	-2.0	-114.80	347.99	6.52	-108.28
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C([N+](=O)[O-])S1	REAL300000302414	0	30	-2.0	-116.13	302.01	6.36	-109.77
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302415	1	33	-2.0	-123.31	309.09	1.12	-122.19
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)=C1	REAL300000302416	1	30	-2.0	-99.40	305.92	5.19	-94.21
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000302418	0	27	-2.0	-111.81	267.94	3.36	-108.45
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)CCOCC2CCC2)=C1	REAL300000302422	1	38	-2.0	-102.82	334.44	5.09	-97.73
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=C1	REAL300000302423	0	30	-2.0	-107.28	318.02	5.18	-102.10
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=CS1	REAL300000302424	1	26	-2.0	-112.50	277.84	4.58	-107.92
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302425	1	35	-2.0	-113.10	335.20	6.91	-106.19
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F)C(C)C	REAL300000302427	1	37	-2.0	-107.65	317.37	4.18	-103.47
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1	REAL300000302429	1	37	-2.0	-117.00	329.13	5.53	-111.47
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1	REAL300000302431	1	36	-2.0	-119.12	319.63	6.38	-112.74
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302432	1	38	-2.0	-109.16	340.99	4.17	-104.99
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000302433	1	37	-2.0	-107.58	349.54	6.83	-100.75
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)S2)C1	REAL300000302438	0	39	-2.0	-109.45	357.23	5.64	-103.81
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(=O)NC1=O	REAL300000302442	0	31	-2.0	-112.61	295.84	1.87	-110.74
CC(C)OC1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)CCOC1	REAL300000302443	0	42	-2.0	-108.52	345.70	4.20	-104.32
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)N(C)N=C1	REAL300000302446	0	34	-2.0	-108.68	315.63	4.30	-104.38
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F)C1=CC=C(F)C=C1	REAL300000302449	1	38	-2.0	-105.96	348.64	6.34	-99.62
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F)C1CC1	REAL300000302450	1	38	-2.0	-108.63	332.11	5.53	-103.10
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)=C1	REAL300000302451	1	35	-2.0	-117.23	333.91	6.98	-110.25
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)N1C	REAL300000302452	1	31	-2.0	-106.84	286.78	4.16	-102.68
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1F	REAL300000302453	1	34	-2.0	-110.44	332.26	5.91	-104.53
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F)C1CCCC1	REAL300000302455	1	41	-2.0	-106.85	344.19	5.57	-101.28
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F)C1CCCCC1	REAL300000302456	1	44	-2.0	-105.80	357.72	6.06	-99.74
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=C1	REAL300000302457	1	41	-2.0	-107.76	369.87	7.51	-100.25
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000302458	0	33	-2.0	-114.44	312.63	7.26	-107.18
CCC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=CN1CC1CC1	REAL300000302459	0	41	-2.0	-120.82	366.30	7.14	-113.68
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)O1	REAL300000302460	0	34	-2.0	-103.81	324.87	4.55	-99.26
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300000302462	0	31	-2.0	-105.92	307.18	4.68	-101.24
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000302465	0	37	-2.0	-140.35	341.10	7.70	-132.65
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302466	1	31	-2.0	-95.35	308.03	3.85	-91.50
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1	REAL300000302467	0	27	-2.0	-104.53	284.81	3.78	-100.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1F	REAL300000302470	1	31	-2.0	-112.18	299.56	5.95	-106.23
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)=C1	REAL300000302471	0	27	-2.0	-104.64	289.40	3.86	-100.78
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)OC=C1	REAL300000302472	0	31	-2.0	-116.05	300.82	4.54	-111.51
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000302474	0	30	-2.0	-121.89	295.79	4.07	-117.82
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(C)=N1	REAL300000302475	1	40	-2.0	-107.03	355.35	5.94	-101.09
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302476	1	41	-2.0	-108.77	364.23	7.20	-101.57
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000302477	0	29	-3.0	-173.83	292.87	3.82	-170.01
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000302477	1	30	-2.0	-102.92	296.51	3.86	-99.06
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302478	1	32	-2.0	-107.97	300.22	5.32	-102.65
CS(=O)(=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F)C1=CC=CC=C1F	REAL300000302482	1	35	-2.0	-129.96	332.41	3.89	-126.07
CN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1C(F)(F)F	REAL300000302483	0	31	-2.0	-103.75	300.58	3.82	-99.93
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1	REAL300000302484	1	30	-2.0	-107.70	290.70	4.23	-103.47
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1	REAL300000302485	1	32	-2.0	-117.05	301.17	5.15	-111.90
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302486	1	38	-2.0	-106.23	328.43	5.30	-100.93
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(C(C)(C)C)=N1	REAL300000302487	1	40	-2.0	-106.32	335.79	5.79	-100.53
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1	REAL300000302489	1	38	-2.0	-106.79	334.84	5.55	-101.24
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302490	0	31	-2.0	-100.14	301.75	4.08	-96.06
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(Br)=N1	REAL300000302491	0	28	-2.0	-107.12	292.67	3.39	-103.73
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2(COCC3=CC=CC=C3)CC2)=C1	REAL300000302493	1	42	-2.0	-109.85	363.60	7.98	-101.87
CS(=O)(=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F)C1CCCCC1	REAL300000302494	1	41	-2.0	-132.38	355.07	4.59	-127.79
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300000302495	0	29	-2.0	-98.06	286.29	3.68	-94.38
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302497	0	31	-2.0	-123.19	299.71	2.73	-120.46
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302498	1	34	-2.0	-107.00	310.25	4.33	-102.67
NC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000302500	1	28	-2.0	-101.65	272.63	2.54	-99.11
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302502	1	32	-2.0	-114.63	299.01	6.41	-108.22
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302508	0	28	-2.0	-98.92	286.68	0.97	-97.95
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302509	1	42	-2.0	-124.23	367.80	4.83	-119.40
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)O1	REAL300000302510	1	41	-2.0	-111.57	339.05	5.62	-105.95
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000302511	0	24	-2.0	-101.22	254.17	2.88	-98.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300000302514	0	35	-2.0	-112.72	327.38	4.95	-107.77
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C(C(N)=O)O1	REAL300000302515	1	32	-2.0	-106.61	306.97	0.80	-105.81
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1	REAL300000302517	1	28	-2.0	-103.88	287.66	5.10	-98.78
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)=C(Cl)O1	REAL300000302519	0	28	-2.0	-94.09	296.42	4.12	-89.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C(Cl)O1	REAL300000302519	1	27	-3.0	-164.05	296.00	4.73	-159.32
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302521	1	35	-2.0	-110.24	328.85	5.39	-104.85
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1F	REAL300000302522	1	29	-2.0	-111.96	293.26	5.59	-106.37
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)N=N1	REAL300000302523	0	27	-2.0	-113.59	266.38	1.52	-112.07
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302524	0	31	-2.0	-99.35	321.99	4.45	-94.90
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1	REAL300000302527	1	35	-2.0	-106.79	317.33	4.88	-101.91
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1	REAL300000302528	1	35	-2.0	-104.21	312.66	5.17	-99.04
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1	REAL300000302529	1	38	-2.0	-104.53	336.79	5.79	-98.74
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302530	1	41	-2.0	-119.69	372.21	6.56	-113.13
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300000302531	0	29	-2.0	-100.32	308.80	4.69	-95.63
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)=C1	REAL300000302532	0	33	-2.0	-98.51	327.88	4.93	-93.58
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)=C1	REAL300000302532	1	33	-2.0	-112.25	319.44	4.13	-108.12
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)C=NN2C1	REAL300000302533	0	39	-2.0	-114.38	342.48	3.21	-111.17
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000302534	0	34	-2.0	-108.37	334.27	6.09	-102.28
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1	REAL300000302536	0	25	-2.0	-106.70	269.19	3.86	-102.84
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1	REAL300000302538	1	35	-2.0	-110.79	311.81	5.21	-105.58
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000302539	1	32	-2.0	-106.42	308.63	4.61	-101.81
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302541	1	38	-2.0	-114.54	341.87	6.58	-107.96
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)=C2O1	REAL300000302543	1	36	-2.0	-120.72	324.68	5.76	-114.96
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000302544	0	36	-2.0	-106.08	336.11	4.84	-101.24
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302546	0	32	-2.0	-112.23	303.91	5.82	-106.41
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=C1	REAL300000302547	1	34	-2.0	-115.09	321.14	5.79	-109.30
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CSC=C2Cl)=C1	REAL300000302549	1	25	-2.0	-106.48	272.86	4.63	-101.85
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302550	1	28	-2.0	-97.15	288.37	3.36	-93.79
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1	REAL300000302551	1	30	-2.0	-99.35	301.33	4.34	-95.01
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302552	0	33	-2.0	-124.02	309.15	4.77	-119.25
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302553	0	30	-2.0	-96.66	282.66	2.52	-94.14
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1	REAL300000302556	0	31	-2.0	-111.35	306.27	6.63	-104.72
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1	REAL300000302557	0	31	-2.0	-123.21	312.34	4.90	-118.31
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302558	1	35	-2.0	-102.93	319.37	4.91	-98.02
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1OC	REAL300000302560	1	36	-2.0	-112.98	323.21	5.10	-107.88
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1	REAL300000302563	1	31	-2.0	-111.79	297.20	5.47	-106.32
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1OC	REAL300000302564	0	36	-2.0	-117.59	326.86	5.49	-112.10
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(C2CCCC2)=N1	REAL300000302565	1	41	-2.0	-111.17	356.18	6.09	-105.08
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C2=CC=CC=C2S1	REAL300000302566	1	32	-2.0	-113.44	318.31	7.12	-106.32
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(C2CC2)=N1	REAL300000302567	1	35	-2.0	-109.81	322.73	5.12	-104.69
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1	REAL300000302569	0	31	-2.0	-117.00	296.86	4.37	-112.63
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)C=CC=C21	REAL300000302570	1	33	-2.0	-127.49	311.98	3.60	-123.89
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)=C21	REAL300000302571	1	35	-2.0	-110.54	308.11	7.16	-103.38
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302573	0	28	-2.0	-106.51	284.72	1.07	-105.44
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(C2CCC2)=N1	REAL300000302576	1	38	-2.0	-110.41	338.95	5.59	-104.82
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1	REAL300000302578	1	25	-2.0	-105.96	273.27	4.72	-101.24
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1	REAL300000302579	1	38	-2.0	-107.25	341.40	5.84	-101.41
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1	REAL300000302580	1	32	-2.0	-113.87	305.57	6.30	-107.57
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)=C1	REAL300000302581	1	39	-2.0	-115.31	365.95	7.99	-107.32
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C2=NC=CC=C2C=C1	REAL300000302583	1	37	-2.0	-134.88	332.88	6.38	-128.50
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302585	1	34	-2.0	-100.47	322.71	3.59	-96.88
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302586	1	29	-2.0	-111.55	291.94	5.54	-106.01
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302587	1	35	-2.0	-107.06	313.12	4.72	-102.34
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000302588	1	32	-2.0	-95.50	323.87	6.52	-88.98
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302591	1	37	-2.0	-101.35	314.45	5.09	-96.26
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000302592	1	37	-2.0	-107.40	331.92	4.91	-102.49
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1	REAL300000302593	1	35	-2.0	-107.37	315.95	4.29	-103.08
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=CN=C1C(F)(F)F	REAL300000302594	1	33	-2.0	-99.05	318.35	5.00	-94.05
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1	REAL300000302599	1	28	-2.0	-107.71	288.96	5.55	-102.16
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302601	1	31	-2.0	-101.93	288.60	3.45	-98.48
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)=C1	REAL300000302609	1	34	-2.0	-104.27	329.89	6.21	-98.06
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302610	1	33	-2.0	-105.88	326.21	5.66	-100.22
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1Cl	REAL300000302612	1	29	-2.0	-108.71	300.05	6.02	-102.69
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)=C1	REAL300000302613	1	37	-2.0	-116.54	341.56	5.15	-111.39
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1	REAL300000302614	1	28	-2.0	-108.84	287.44	5.42	-103.42
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=CS1	REAL300000302616	1	29	-2.0	-112.95	289.70	3.63	-109.32
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=C1	REAL300000302617	1	31	-2.0	-107.14	299.70	6.64	-100.50
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302618	1	34	-2.0	-104.23	332.41	5.50	-98.73
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1	REAL300000302619	1	35	-2.0	-113.09	322.14	7.34	-105.75
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1	REAL300000302620	1	38	-2.0	-104.49	332.24	5.79	-98.70
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302621	1	37	-2.0	-103.89	327.39	5.08	-98.81
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302624	0	31	-2.0	-115.80	321.37	1.69	-114.11
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3F)C2=N1	REAL300000302625	1	33	-2.0	-119.37	311.03	3.56	-115.81
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)O1	REAL300000302626	0	31	-2.0	-108.65	293.51	4.78	-103.87
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1	REAL300000302627	0	28	-2.0	-101.44	291.29	4.40	-97.04
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302628	1	32	-2.0	-104.79	308.38	5.09	-99.70
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(C2CCOCC2)=N1	REAL300000302629	1	42	-2.0	-108.99	365.75	4.33	-104.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000302633	1	29	-2.0	-105.82	291.21	3.64	-102.18
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C2=NC=CC=C12	REAL300000302634	1	39	-2.0	-126.89	338.87	7.49	-119.40
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300000302636	1	31	-2.0	-103.69	300.10	3.90	-99.79
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1Cl	REAL300000302638	0	31	-2.0	-104.46	319.10	4.65	-99.81
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302639	1	38	-2.0	-104.94	347.11	6.39	-98.55
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1	REAL300000302640	1	41	-2.0	-106.43	353.82	6.13	-100.30
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1	REAL300000302644	1	31	-2.0	-112.29	292.93	5.59	-106.70
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000302646	0	30	-2.0	-107.05	288.29	2.04	-105.01
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1Cl	REAL300000302647	0	31	-2.0	-103.87	309.12	4.11	-99.76
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=C1	REAL300000302648	0	30	-2.0	-103.12	308.44	4.46	-98.66
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)=C1	REAL300000302649	1	33	-2.0	-121.07	323.89	6.37	-114.70
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1	REAL300000302650	0	25	-2.0	-102.51	267.18	3.80	-98.71
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1	REAL300000302655	1	28	-2.0	-103.93	294.97	5.79	-98.14
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)O1	REAL300000302656	0	34	-2.0	-119.79	331.09	1.47	-118.32
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(C2=CC=CC=C2)=N1	REAL300000302657	1	38	-2.0	-112.69	344.85	6.59	-106.10
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1	REAL300000302659	1	32	-2.0	-109.24	311.24	6.52	-102.72
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Br)C=NS2)=C1	REAL300000302662	0	24	-2.0	-98.13	271.36	3.60	-94.53
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=NN1	REAL300000302664	0	34	-2.0	-106.74	327.79	2.98	-103.76
COC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1OC	REAL300000302665	0	33	-2.0	-109.59	320.43	3.20	-106.39
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1	REAL300000302666	0	29	-2.0	-101.96	307.53	3.67	-98.29
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1	REAL300000302667	1	27	-2.0	-94.62	285.06	3.82	-90.80
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)=C1	REAL300000302668	1	32	-2.0	-107.73	315.74	6.14	-101.59
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302670	1	34	-2.0	-107.28	310.83	5.19	-102.09
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=C1	REAL300000302672	1	31	-2.0	-110.93	298.11	6.57	-104.36
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1	REAL300000302673	0	25	-2.0	-97.88	292.51	5.28	-92.60
CN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1Cl	REAL300000302674	0	28	-2.0	-103.61	287.32	3.24	-100.37
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302675	1	41	-2.0	-110.50	359.58	7.58	-102.92
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)OC=C1	REAL300000302679	0	26	-2.0	-107.60	271.59	3.64	-103.96
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=C1	REAL300000302681	1	29	-2.0	-110.29	308.93	3.99	-106.30
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000302682	0	37	-2.0	-112.49	349.37	4.25	-108.24
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(C2CC2)=N1	REAL300000302685	1	38	-2.0	-110.62	346.10	5.93	-104.69
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C2=NSN=C2C=C1	REAL300000302686	1	32	-2.0	-115.11	305.67	4.52	-110.59
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C(=O)NC(=O)N1	REAL300000302688	0	31	-2.0	-112.04	290.49	0.89	-111.15
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C(Cl)S1	REAL300000302690	1	31	-2.0	-112.83	323.74	6.10	-106.73
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302691	1	41	-2.0	-105.58	354.12	6.39	-99.19
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300000302692	1	25	-2.0	-105.23	266.23	3.69	-101.54
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1	REAL300000302693	0	25	-2.0	-102.69	276.24	4.71	-97.98
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302694	1	42	-2.0	-117.40	372.26	5.47	-111.93
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300000302695	1	34	-2.0	-113.19	326.28	8.01	-105.18
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302696	1	36	-2.0	-104.30	319.71	2.93	-101.37
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302702	1	34	-2.0	-113.50	314.85	2.99	-110.51
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302704	1	31	-2.0	-107.05	310.15	2.84	-104.21
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000302706	1	37	-2.0	-106.62	334.82	5.30	-101.32
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302707	1	37	-2.0	-107.70	331.04	4.92	-102.78
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1	REAL300000302708	0	27	-2.0	-107.86	295.08	3.14	-104.72
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=CO1	REAL300000302709	0	26	-2.0	-108.84	270.39	3.59	-105.25
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)SC=C1	REAL300000302710	0	26	-2.0	-110.92	276.92	4.55	-106.37
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302712	1	34	-2.0	-102.98	309.18	4.44	-98.54
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000302713	1	36	-2.0	-101.22	334.23	4.55	-96.67
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000302714	0	38	-2.0	-99.95	346.62	7.47	-92.48
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302715	0	31	-2.0	-114.76	309.31	6.97	-107.79
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1	REAL300000302716	1	35	-2.0	-102.70	319.64	5.31	-97.39
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300000302717	1	35	-2.0	-109.18	319.38	6.41	-102.77
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302718	0	31	-2.0	-102.78	298.51	1.53	-101.25
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=NN1C(C)C	REAL300000302719	1	37	-2.0	-107.63	331.92	4.93	-102.70
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1	REAL300000302721	1	30	-2.0	-108.86	296.68	4.29	-104.57
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=C1	REAL300000302722	0	28	-2.0	-106.33	306.85	1.32	-105.01
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1	REAL300000302725	1	32	-2.0	-111.34	317.88	5.65	-105.69
O=C([O-])C1=CC=C(F)C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000302726	0	38	-2.0	-97.09	345.56	7.48	-89.61
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1	REAL300000302729	1	31	-2.0	-112.51	305.10	6.11	-106.40
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000302730	1	24	-2.0	-99.30	253.09	2.78	-96.52
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000302731	0	32	-2.0	-120.76	315.49	4.45	-116.31
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)=C1	REAL300000302734	1	32	-2.0	-104.13	318.91	5.03	-99.10
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=C1	REAL300000302735	0	35	-2.0	-108.95	335.37	6.25	-102.70
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302739	1	33	-2.0	-116.51	308.22	4.76	-111.75
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302740	1	34	-2.0	-105.66	332.53	3.34	-102.32
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1F	REAL300000302741	0	34	-2.0	-126.24	320.10	6.69	-119.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C2=NC=CC=C12	REAL300000302742	1	36	-2.0	-126.71	325.16	6.37	-120.34
CCC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C(C(=O)[O-])O1	REAL300000302743	0	34	-2.0	-117.69	326.39	5.53	-112.16
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)C=C(C(=O)[O-])O1	REAL300000302743	1	33	-3.0	-169.61	318.01	5.74	-163.87
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302744	1	41	-2.0	-119.29	356.86	7.18	-112.11
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000302746	0	24	-2.0	-103.82	254.01	2.29	-101.53
O=C([O-])C1=CC=C(F)C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1	REAL300000302747	1	35	-2.0	-108.82	313.19	4.51	-104.31
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000302748	1	31	-2.0	-114.49	294.33	5.90	-108.59
O=C([O-])C1=CC(S(=O)(=O)N2CCCC3=CC=CC(F)=C32)=CC(C(=O)[O-])=C1	REAL300000302776	0	38	-2.0	-119.78	332.54	7.99	-111.79
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=CC=CC(F)=C32)=C1	REAL300000302801	0	36	-2.0	-119.39	309.69	5.72	-113.67
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(F)C=C1F	REAL300000302842	1	34	-2.0	-99.32	332.23	5.92	-93.40
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(F)C=C1F	REAL300000302844	0	31	-2.0	-96.48	319.95	4.90	-91.58
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C(F)C=C1F	REAL300000302847	1	34	-2.0	-92.81	335.88	5.54	-87.27
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000302851	1	34	-2.0	-96.93	329.77	5.01	-91.92
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(F)C=C1F	REAL300000302854	1	31	-2.0	-91.65	319.03	4.98	-86.67
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(F)C=C1F	REAL300000302856	1	34	-2.0	-89.22	332.23	5.92	-83.30
COC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C(F)C=C1F	REAL300000302857	0	35	-2.0	-102.52	339.18	4.31	-98.21
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(F)C=C1F	REAL300000302866	1	34	-2.0	-105.18	330.40	5.88	-99.30
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(F)C=C1F	REAL300000302867	0	33	-2.0	-99.45	322.98	4.00	-95.45
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000302868	1	31	-2.0	-90.68	326.87	4.84	-85.84
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=C(F)C=C2F)C=C(C(=O)[O-])O1	REAL300000302869	1	37	-2.0	-97.02	348.89	5.85	-91.17
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000302870	1	35	-2.0	-110.75	331.12	4.05	-106.70
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000302872	1	35	-2.0	-111.64	326.58	4.01	-107.63
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(NC(C)=O)=C1	REAL300000302873	0	39	-2.0	-116.59	355.00	3.82	-112.77
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1F	REAL300000302874	1	39	-2.0	-99.38	358.33	5.31	-94.07
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1F	REAL300000302876	0	35	-2.0	-106.94	339.94	4.58	-102.36
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000302877	1	35	-2.0	-109.14	339.39	4.41	-104.73
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1F	REAL300000302878	1	41	-2.0	-113.49	359.27	5.32	-108.17
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000302879	0	35	-2.0	-108.75	332.35	4.08	-104.67
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000302880	1	41	-2.0	-98.98	370.15	5.61	-93.37
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000302881	0	32	-2.0	-106.25	320.04	3.04	-103.21
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1F	REAL300000302882	1	38	-2.0	-111.72	342.29	4.80	-106.92
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000302884	1	36	-2.0	-110.41	333.52	3.36	-107.05
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1F	REAL300000302886	0	35	-2.0	-103.22	335.70	3.70	-99.52
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000302888	0	32	-2.0	-108.90	318.52	3.05	-105.85
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1F	REAL300000302890	1	44	-2.0	-113.72	380.48	6.02	-107.70
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(NC(C)=O)=C1	REAL300000302891	1	41	-2.0	-109.61	356.74	5.73	-103.88
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(NC(C)=O)=C1	REAL300000302892	0	42	-2.0	-117.95	377.29	4.58	-113.37
CC(=O)NC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000302893	0	38	-2.0	-116.32	357.73	4.58	-111.74
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000302893	1	37	-3.0	-188.38	354.99	4.58	-183.80
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1F	REAL300000302894	1	42	-2.0	-115.99	371.12	5.93	-110.06
CC(=O)NC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000302895	0	35	-2.0	-105.28	329.86	3.16	-102.12
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000302896	0	39	-2.0	-114.68	355.84	3.11	-111.57
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1F	REAL300000302898	1	38	-2.0	-102.70	347.58	4.84	-97.86
CC(=O)NC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000302900	1	35	-2.0	-108.40	335.46	3.91	-104.49
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1F	REAL300000302901	0	35	-2.0	-97.84	339.91	4.58	-93.26
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000302902	1	35	-2.0	-99.33	331.10	4.06	-95.27
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000302903	0	32	-2.0	-101.98	319.14	3.14	-98.84
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000302904	1	35	-2.0	-102.75	332.98	4.08	-98.67
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1F	REAL300000302905	0	38	-2.0	-110.17	352.34	4.72	-105.45
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000302906	0	35	-2.0	-99.77	332.05	4.09	-95.68
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300000302907	1	35	-2.0	-97.48	339.07	4.42	-93.06
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000302908	1	35	-2.0	-102.17	337.68	4.11	-98.06
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000302909	1	37	-2.0	-98.01	355.05	4.68	-93.33
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000302910	0	36	-2.0	-110.20	336.30	1.72	-108.48
CC(=O)NC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000302910	1	36	-2.0	-110.75	325.62	2.60	-108.15
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000302911	1	38	-2.0	-105.06	348.75	4.80	-100.26
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000302912	1	38	-2.0	-110.39	336.38	4.65	-105.74
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000302913	1	38	-2.0	-110.55	351.72	4.66	-105.89
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300000302916	0	37	-2.0	-111.96	353.37	5.11	-106.85
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1F	REAL300000302917	0	35	-2.0	-100.89	338.61	4.15	-96.74
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1F	REAL300000302919	0	38	-2.0	-109.67	348.06	4.60	-105.07
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000302920	0	38	-2.0	-119.26	351.60	4.71	-114.55
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(C)=O)=C2)C=C1C(=O)[O-]	REAL300000302923	1	39	-2.0	-111.70	354.89	4.23	-107.47
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1F	REAL300000302926	0	37	-2.0	-122.02	350.60	5.86	-116.16
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000302927	0	35	-2.0	-118.55	330.49	4.04	-114.51
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000302928	1	38	-2.0	-105.92	351.25	4.69	-101.23
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000302929	0	34	-2.0	-108.66	323.84	2.07	-106.59
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(NC(C)=O)=C1	REAL300000302930	0	39	-2.0	-104.07	354.78	3.81	-100.26
CC(=O)NC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000302931	0	32	-2.0	-99.62	326.73	2.99	-96.63
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1F	REAL300000302932	1	42	-2.0	-105.78	372.71	5.90	-99.88
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1F	REAL300000302933	1	42	-2.0	-110.84	372.30	5.91	-104.93
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000302934	0	38	-2.0	-104.77	348.99	4.01	-100.76
CS(=O)(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000302936	1	36	-2.0	-107.37	344.63	1.78	-105.59
CS(=O)(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000302937	0	33	-2.0	-101.70	337.82	0.80	-100.90
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(NS(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000302938	1	37	-2.0	-105.81	351.27	1.13	-104.68
CS(=O)(=O)NC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000302939	0	33	-2.0	-101.53	336.28	0.81	-100.72
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(NS(C)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000302940	0	36	-2.0	-101.38	347.64	0.92	-100.46
CS(=O)(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000302941	0	33	-2.0	-95.91	336.90	0.91	-95.00
CS(=O)(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000302942	0	35	-2.0	-103.07	341.62	-0.16	-103.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)=CC=C1F	REAL300000302943	0	33	-2.0	-107.62	325.53	5.94	-101.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)C=C1	REAL300000302944	0	33	-2.0	-97.64	320.99	5.92	-91.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)=C1	REAL300000302945	0	33	-2.0	-110.29	320.99	5.91	-104.38
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CC=CN=C12	REAL300000302946	0	37	-2.0	-115.21	349.13	5.71	-109.50
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)C=C1	REAL300000302947	0	37	-2.0	-96.85	352.45	7.21	-89.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)C=C1C(=O)[O-]	REAL300000302948	0	36	-2.0	-111.54	337.01	6.44	-105.10
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)=C1	REAL300000302949	0	33	-2.0	-105.34	334.07	6.47	-98.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)=CC=C1Cl	REAL300000302950	0	33	-2.0	-106.08	333.51	6.30	-99.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)=C1C	REAL300000302951	0	39	-2.0	-112.73	353.66	7.25	-105.48
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)=C1	REAL300000302952	0	33	-2.0	-107.44	326.46	5.97	-101.47
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)C=C1	REAL300000302953	0	39	-2.0	-96.07	364.56	7.49	-88.58
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)=C1	REAL300000302954	0	30	-2.0	-104.55	314.18	4.92	-99.63
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CC=CN=C12	REAL300000302955	0	36	-2.0	-110.46	336.42	6.69	-103.77
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)C=C1	REAL300000302956	0	37	-2.0	-95.53	352.07	6.19	-89.34
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)C=C1C(=O)[O-]	REAL300000302957	0	34	-2.0	-108.51	327.64	5.27	-103.24
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CC=CN=C12	REAL300000302958	0	37	-2.0	-111.18	344.77	4.74	-106.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)=C1	REAL300000302959	0	33	-2.0	-100.69	330.10	5.59	-95.10
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)C=C1C(=O)[O-]	REAL300000302960	0	39	-2.0	-111.73	352.45	7.23	-104.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)=CS1	REAL300000302961	0	30	-2.0	-105.97	312.64	4.94	-101.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)C=C1C(=O)[O-]	REAL300000302962	0	37	-2.0	-116.10	348.28	5.98	-110.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CC=CN=C12	REAL300000302963	0	39	-2.0	-108.11	351.12	7.63	-100.48
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)C=C(C(=O)[O-])O1	REAL300000302964	0	33	-2.0	-103.63	324.00	5.05	-98.58
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)=C1	REAL300000302965	0	37	-2.0	-111.61	349.91	5.00	-106.61
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CC=CN=C12	REAL300000302966	0	36	-2.0	-101.06	341.70	6.73	-94.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)C=C(C(=O)[O-])S1	REAL300000302967	0	33	-2.0	-106.85	330.68	5.79	-101.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)C(Cl)=C1	REAL300000302968	0	33	-2.0	-94.93	334.04	6.47	-88.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)C=C1F	REAL300000302969	0	33	-2.0	-97.11	325.51	5.95	-91.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)S1	REAL300000302970	0	30	-2.0	-99.48	313.25	5.04	-94.44
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CC=CN=C23)=C1	REAL300000302971	0	33	-2.0	-101.10	327.41	5.98	-95.12
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CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)C=C1C(=O)[O-]	REAL300000303040	0	38	-2.0	-126.59	341.57	4.77	-121.82
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CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)C=C1C(=O)[O-]	REAL300000303067	0	34	-2.0	-118.38	313.91	4.39	-113.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)=C1Cl	REAL300000303068	0	34	-2.0	-116.58	324.22	4.93	-111.65
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)=C1	REAL300000303069	0	34	-2.0	-125.79	317.48	4.48	-121.31
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)C=C1C(=O)[O-]	REAL300000303070	0	37	-2.0	-122.19	326.41	4.98	-117.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)C=C1CC(=O)[O-]	REAL300000303071	0	38	-2.0	-122.83	342.90	3.92	-118.91
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=CNN=C21	REAL300000303072	0	34	-2.0	-109.31	318.70	4.97	-104.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)C=C1C(F)(F)F	REAL300000303073	0	34	-2.0	-103.13	322.55	4.60	-98.53
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)=CC(C(=O)[O-])=C1Cl	REAL300000303074	0	34	-2.0	-117.47	323.66	4.75	-112.72
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)=C1	REAL300000303075	0	31	-2.0	-112.60	313.73	4.40	-108.20
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)C=C1C(=O)[O-]	REAL300000303076	0	35	-2.0	-119.56	320.47	4.00	-115.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)C(C)=C1CC(=O)[O-]	REAL300000303077	0	43	-2.0	-118.70	357.35	6.64	-112.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)=C(F)C(Cl)=C1F	REAL300000303078	0	31	-2.0	-106.94	318.05	4.35	-102.59
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)C=C1C(=O)[O-]	REAL300000303079	0	34	-2.0	-113.37	322.30	4.76	-108.61
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)C=C(C(=O)[O-])S1	REAL300000303080	0	40	-2.0	-115.01	341.86	5.92	-109.09
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)C=C1C(=O)[O-]	REAL300000303081	0	35	-2.0	-120.07	332.76	4.42	-115.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)=CC=C1C(=O)[O-]	REAL300000303082	0	34	-2.0	-108.65	312.49	4.44	-104.21
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)C([N+](=O)[O-])=C1	REAL300000303083	0	36	-2.0	-111.15	335.69	5.97	-105.18
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CNN=C21	REAL300000303084	0	34	-2.0	-116.85	312.39	4.61	-112.24
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)=C1[N+](=O)[O-]	REAL300000303085	0	33	-2.0	-127.87	316.18	5.64	-122.23
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)=C1F	REAL300000303086	0	31	-2.0	-124.87	296.08	3.82	-121.05
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)C=C1C(=O)[O-]	REAL300000303087	0	34	-2.0	-111.63	313.60	4.36	-107.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)=CC2=CC=CC=C21	REAL300000303088	0	37	-2.0	-128.70	333.48	5.91	-122.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)=C1	REAL300000303089	0	30	-2.0	-118.08	288.65	1.90	-116.18
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CNN=C21	REAL300000303090	0	35	-2.0	-111.07	320.64	3.58	-107.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)=C(Cl)O1	REAL300000303091	0	28	-2.0	-106.99	292.54	2.75	-104.24
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CNN=C43)C=C2)CC1	REAL300000303092	0	38	-2.0	-113.32	338.57	5.67	-107.65
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CNN=C43)C=C2C1	REAL300000303093	0	38	-2.0	-117.24	336.53	5.65	-111.59
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=CNN=C32)C=C(C(=O)[O-])O1	REAL300000303094	0	34	-2.0	-112.36	314.57	3.78	-108.58
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000303095	1	36	-2.0	-116.27	338.28	2.45	-113.82
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000303096	1	36	-2.0	-106.33	333.72	2.42	-103.91
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000303097	1	36	-2.0	-118.86	333.75	2.41	-116.45
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(N)=O)=C1	REAL300000303098	0	40	-2.0	-123.32	361.89	2.21	-121.11
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000303099	1	40	-2.0	-105.60	365.19	3.71	-101.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303100	1	39	-2.0	-119.99	349.76	2.95	-117.04
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000303101	0	36	-2.0	-113.42	346.82	2.99	-110.43
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000303102	1	36	-2.0	-114.61	346.25	2.81	-111.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)=C1C	REAL300000303103	1	42	-2.0	-120.65	366.42	3.77	-116.88
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000303104	0	36	-2.0	-115.33	339.22	2.48	-112.85
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000303105	1	42	-2.0	-104.65	377.31	4.01	-100.64
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000303106	0	33	-2.0	-113.08	326.93	1.43	-111.65
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(N)=O)=C1	REAL300000303107	1	39	-2.0	-118.54	349.18	3.20	-115.34
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000303108	1	40	-2.0	-104.27	364.81	2.70	-101.57
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303109	0	37	-2.0	-117.23	340.39	1.77	-115.46
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)=C1	REAL300000303111	0	36	-2.0	-109.35	342.86	2.10	-107.25
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303112	1	42	-2.0	-120.10	364.81	3.76	-116.34
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000303113	0	33	-2.0	-114.52	325.40	1.45	-113.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303114	1	40	-2.0	-124.70	361.02	2.48	-122.22
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(N)=O)=C1	REAL300000303115	1	45	-2.0	-120.72	387.64	4.42	-116.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(N)=O)=C1	REAL300000303116	1	42	-2.0	-116.58	363.89	4.13	-112.45
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(N)=O)=C1	REAL300000303117	0	43	-2.0	-124.90	384.18	2.98	-121.92
NC(=O)COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000303118	0	39	-2.0	-116.95	368.67	2.86	-114.09
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000303118	1	38	-3.0	-195.41	362.15	2.98	-192.43
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000303119	1	43	-2.0	-122.76	377.99	4.31	-118.45
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000303120	0	36	-2.0	-112.00	336.75	1.55	-110.45
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)=C1	REAL300000303121	0	40	-2.0	-120.36	362.73	1.51	-118.85
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)=CC=C1OCC(=O)[O-]	REAL300000303122	1	43	-2.0	-104.84	384.90	3.40	-101.44
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(N)=O)=C1	REAL300000303123	1	39	-2.0	-109.28	354.45	3.23	-106.05
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000303124	1	40	-2.0	-103.81	371.04	2.76	-101.05
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303125	1	43	-2.0	-125.41	382.88	3.39	-122.02
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C=C(C(=O)[O-])S1	REAL300000303126	0	36	-2.0	-115.12	342.34	2.31	-112.81
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000303127	0	36	-2.0	-103.83	346.79	2.98	-100.85
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000303128	1	36	-2.0	-105.80	338.26	2.46	-103.34
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000303129	0	33	-2.0	-108.08	326.02	1.55	-106.53
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000303130	1	36	-2.0	-109.65	340.16	2.47	-107.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)=C1F	REAL300000303131	0	39	-2.0	-116.73	359.50	3.12	-113.61
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000303132	0	36	-2.0	-105.98	339.21	2.49	-103.49
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000303133	1	36	-2.0	-103.91	346.23	2.82	-101.09
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(N)=O)=C1	REAL300000303134	1	39	-2.0	-110.89	363.19	3.62	-107.27
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000303135	1	36	-2.0	-107.78	344.57	2.51	-105.27
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000303136	0	38	-2.0	-103.77	361.94	3.09	-100.68
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000303137	0	37	-2.0	-117.03	343.46	0.13	-116.90
NC(=O)COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000303137	1	37	-2.0	-116.26	342.65	0.92	-115.34
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000303138	1	39	-2.0	-109.09	355.91	3.20	-105.89
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC(N)=O)=C1	REAL300000303139	1	39	-2.0	-115.93	343.81	3.05	-112.88
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000303140	1	39	-2.0	-117.68	358.58	3.07	-114.61
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC(N)=O)=C1	REAL300000303141	1	39	-2.0	-106.28	349.15	3.19	-103.09
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000303142	1	42	-2.0	-123.44	370.55	3.58	-119.86
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000303143	0	38	-2.0	-117.05	360.30	3.51	-113.54
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000303144	0	36	-2.0	-107.17	345.50	2.54	-104.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C(C)=C1C(=O)[O-]	REAL300000303145	1	42	-2.0	-120.14	368.22	3.80	-116.34
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303146	0	39	-2.0	-117.66	359.06	3.11	-114.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)=C1Cl	REAL300000303147	0	39	-2.0	-115.24	365.51	3.55	-111.69
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)=C1	REAL300000303148	0	39	-2.0	-125.00	358.78	3.11	-121.89
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303149	1	42	-2.0	-120.71	367.68	3.60	-117.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C=C1CC(=O)[O-]	REAL300000303150	1	43	-2.0	-119.38	384.21	2.55	-116.83
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(N)=O)=C1	REAL300000303151	1	39	-2.0	-108.84	360.53	3.56	-105.28
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000303152	1	39	-2.0	-116.47	364.97	3.37	-113.10
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303153	0	40	-2.0	-118.60	361.88	2.63	-115.97
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303154	1	39	-2.0	-113.39	367.49	3.48	-109.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000303155	1	39	-2.0	-106.54	349.75	2.96	-103.58
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(N)=O)=C1	REAL300000303156	1	39	-2.0	-116.20	353.28	3.26	-112.94
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000303157	0	38	-2.0	-127.40	357.49	4.28	-123.12
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000303158	0	36	-2.0	-124.22	337.36	2.44	-121.78
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303159	1	39	-2.0	-111.59	358.69	3.09	-108.50
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000303160	0	35	-2.0	-116.55	329.96	0.54	-116.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC(N)=O)=C1	REAL300000303161	0	40	-2.0	-110.50	361.94	2.22	-108.28
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000303162	0	33	-2.0	-106.12	333.89	1.40	-104.72
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000303163	1	43	-2.0	-112.32	379.87	4.30	-108.02
NC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000303164	1	43	-2.0	-117.79	379.19	4.30	-113.49
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000303165	0	39	-2.0	-111.51	355.88	2.40	-109.11
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000303166	1	41	-2.0	-100.87	371.45	-0.34	-101.21
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000303167	1	34	-2.0	-118.94	319.51	1.11	-117.83
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(N)=O)=C1	REAL300000303168	0	42	-2.0	-117.46	374.58	2.16	-115.30
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000303169	1	34	-2.0	-107.74	314.97	1.08	-106.66
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000303170	1	34	-2.0	-120.14	314.69	1.11	-119.03
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(N)=O)=C1	REAL300000303171	0	38	-2.0	-124.63	343.11	0.87	-123.76
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000303172	1	38	-2.0	-107.13	346.44	2.37	-104.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303173	1	37	-2.0	-123.28	330.82	1.65	-121.63
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000303174	0	34	-2.0	-114.93	327.77	1.68	-113.25
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000303175	1	34	-2.0	-117.45	327.48	1.47	-115.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)=C1C	REAL300000303176	1	40	-2.0	-121.66	347.65	2.43	-119.23
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000303177	0	34	-2.0	-117.15	320.17	1.17	-115.98
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000303178	1	40	-2.0	-106.23	358.26	2.70	-103.53
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000303179	0	31	-2.0	-114.48	307.87	0.12	-114.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(N)=O)=C1	REAL300000303180	1	37	-2.0	-119.40	330.40	1.85	-117.55
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303182	0	35	-2.0	-118.36	321.61	0.43	-117.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)=C1	REAL300000303184	0	34	-2.0	-111.32	324.07	0.76	-110.56
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000303186	0	31	-2.0	-115.82	306.34	0.14	-115.68
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000303187	1	42	-2.0	-122.35	373.00	0.91	-121.44
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000303189	1	44	-2.0	-123.65	370.21	3.70	-119.95
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(N)=O)=C1	REAL300000303190	1	43	-2.0	-121.58	368.87	3.08	-118.50
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(N)=O)=C1	REAL300000303191	1	40	-2.0	-117.36	344.84	2.81	-114.55
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(N)=O)=C1	REAL300000303192	0	41	-2.0	-124.45	365.39	1.63	-122.82
NC(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000303193	0	37	-2.0	-113.13	346.03	1.60	-111.53
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000303193	1	36	-3.0	-198.34	343.10	1.66	-196.68
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000303194	1	41	-2.0	-124.31	358.94	3.00	-121.31
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000303195	0	34	-2.0	-113.05	317.70	0.23	-112.82
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000303196	1	40	-2.0	-124.87	357.14	0.85	-124.02
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)=C1	REAL300000303197	0	38	-2.0	-123.10	343.68	0.19	-122.91
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000303198	1	42	-2.0	-107.79	368.60	1.68	-106.11
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000303199	0	34	-2.0	-111.32	332.29	1.69	-109.63
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000303200	1	38	-2.0	-104.06	361.79	1.93	-102.13
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(N)=O)=C1	REAL300000303202	1	37	-2.0	-110.14	335.67	1.89	-108.25
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000303203	1	38	-2.0	-104.99	351.99	1.46	-103.53
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)C=C(C(=O)[O-])S1	REAL300000303205	0	34	-2.0	-116.20	323.29	0.99	-115.21
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000303206	0	34	-2.0	-105.42	327.74	1.67	-103.75
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000303207	1	34	-2.0	-106.87	319.49	1.11	-105.76
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000303208	0	31	-2.0	-110.07	306.96	0.24	-109.83
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000303209	1	34	-2.0	-110.63	321.38	1.14	-109.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)=C1F	REAL300000303210	0	37	-2.0	-118.50	340.73	1.77	-116.73
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000303211	0	38	-2.0	-110.17	355.00	1.72	-108.45
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000303212	0	34	-2.0	-107.95	320.16	1.18	-106.77
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000303213	1	34	-2.0	-105.16	327.46	1.48	-103.68
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(N)=O)=C1	REAL300000303214	1	37	-2.0	-111.77	344.41	2.27	-109.50
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000303215	1	42	-2.0	-103.52	378.71	2.48	-101.04
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000303216	1	34	-2.0	-110.15	325.51	1.20	-108.95
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000303217	0	36	-2.0	-104.80	343.16	1.73	-103.07
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000303218	0	35	-2.0	-118.23	324.41	-1.19	-119.42
NC(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000303218	1	35	-2.0	-111.65	313.44	-0.29	-111.94
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000303219	1	37	-2.0	-111.07	336.86	1.89	-109.18
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000303220	1	34	-2.0	-111.75	335.40	1.64	-110.11
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(NC(N)=O)=C1	REAL300000303221	1	37	-2.0	-118.56	324.54	1.75	-116.81
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000303222	1	37	-2.0	-118.74	339.52	1.75	-116.99
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000303224	1	40	-2.0	-126.52	350.83	2.26	-124.26
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000303225	0	36	-2.0	-117.77	341.23	2.19	-115.58
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000303226	0	34	-2.0	-109.07	326.45	1.24	-107.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303228	0	37	-2.0	-119.80	339.88	1.81	-117.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)=C1Cl	REAL300000303229	0	37	-2.0	-116.57	346.72	2.21	-114.36
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)=C1	REAL300000303230	0	37	-2.0	-128.16	340.00	1.76	-126.40
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303231	1	40	-2.0	-122.11	349.11	2.31	-119.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)C=C1CC(=O)[O-]	REAL300000303232	1	41	-2.0	-122.33	365.16	1.23	-121.10
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(NC(N)=O)=C1	REAL300000303233	1	37	-2.0	-111.35	341.04	2.27	-109.08
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000303234	1	37	-2.0	-117.74	345.91	2.06	-115.68
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303235	0	38	-2.0	-121.24	343.10	1.28	-119.96
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303237	1	37	-2.0	-116.10	347.83	2.15	-113.95
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)C=C(C(=O)[O-])S1	REAL300000303238	0	43	-2.0	-114.75	364.26	3.22	-111.53
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303239	0	38	-2.0	-120.39	355.02	1.73	-118.66
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000303240	1	37	-2.0	-108.18	330.49	1.64	-106.54
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000303241	0	39	-2.0	-114.93	358.13	3.30	-111.63
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(N)=O)=C1	REAL300000303242	1	37	-2.0	-116.79	334.50	1.91	-114.88
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000303243	0	36	-2.0	-130.71	338.69	2.93	-127.78
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000303244	0	34	-2.0	-127.29	318.63	1.12	-126.17
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000303245	1	37	-2.0	-114.27	339.13	1.77	-112.50
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000303246	1	40	-2.0	-130.74	355.99	3.20	-127.54
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000303247	0	33	-2.0	-116.61	311.95	-0.88	-117.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(NC(N)=O)=C1	REAL300000303248	0	38	-2.0	-111.99	343.16	0.88	-111.11
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000303249	0	31	-2.0	-107.48	314.84	0.08	-107.40
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000303250	1	41	-2.0	-113.77	360.81	3.00	-110.77
NC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000303251	1	41	-2.0	-119.00	360.41	2.95	-116.05
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000303252	0	37	-2.0	-112.43	336.82	1.08	-111.35
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000303255	1	41	-2.0	-117.74	371.26	3.90	-113.84
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000303257	0	41	-2.0	-115.39	376.72	3.97	-111.42
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000303258	0	38	-2.0	-111.54	364.42	2.92	-108.62
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000303259	1	44	-2.0	-119.58	386.68	4.69	-114.89
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000303260	1	42	-2.0	-115.82	377.89	3.26	-112.56
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000303261	0	41	-2.0	-106.87	380.37	3.59	-103.28
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000303262	0	38	-2.0	-112.09	362.89	2.94	-109.15
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000303263	0	41	-2.0	-111.72	374.28	3.04	-108.68
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000303264	1	41	-2.0	-115.59	379.87	3.80	-111.79
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000303265	1	41	-2.0	-103.35	375.78	3.95	-99.40
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000303266	0	38	-2.0	-105.74	363.50	3.03	-102.71
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000303267	1	41	-2.0	-108.20	377.65	3.97	-104.23
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000303268	0	41	-2.0	-103.26	376.71	3.98	-99.28
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000303269	0	42	-2.0	-118.63	380.96	1.62	-117.01
C=CCNC(=O)NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000303269	1	42	-2.0	-118.53	380.19	2.45	-116.08
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000303270	1	44	-2.0	-102.82	393.41	4.68	-98.14
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000303271	1	44	-2.0	-113.21	383.68	4.68	-108.53
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000303273	1	45	-2.0	-117.20	399.25	4.13	-113.07
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000303275	0	41	-2.0	-119.58	374.91	3.94	-115.64
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000303276	0	40	-2.0	-114.24	367.45	2.02	-112.22
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000303277	0	38	-2.0	-105.01	371.39	2.88	-102.13
C=CCNC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000303278	0	44	-2.0	-111.79	393.37	3.90	-107.89
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000303279	1	37	-2.0	-119.72	341.44	2.55	-117.17
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000303280	1	37	-2.0	-108.48	336.90	2.53	-105.95
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000303281	1	37	-2.0	-120.61	336.90	2.51	-118.10
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000303282	0	41	-2.0	-125.42	365.04	2.32	-123.10
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000303283	1	41	-2.0	-107.86	368.37	3.82	-104.04
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000303284	1	40	-2.0	-124.08	352.75	3.10	-120.98
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000303285	0	37	-2.0	-115.44	349.97	3.09	-112.35
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000303286	1	37	-2.0	-118.25	349.41	2.91	-115.34
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000303287	1	43	-2.0	-122.31	369.58	3.88	-118.43
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000303288	0	37	-2.0	-117.64	342.38	2.59	-115.05
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000303289	1	43	-2.0	-106.95	380.48	4.10	-102.85
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000303290	0	34	-2.0	-114.92	330.08	1.54	-113.38
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000303291	1	40	-2.0	-120.14	352.33	3.31	-116.83
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000303293	0	38	-2.0	-119.14	343.55	1.89	-117.25
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000303295	0	37	-2.0	-112.10	346.01	2.20	-109.90
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000303297	0	34	-2.0	-106.63	328.27	1.60	-105.03
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000303299	1	46	-2.0	-122.25	390.81	4.53	-117.72
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)NC)=C1	REAL300000303300	1	43	-2.0	-117.81	367.07	4.24	-113.57
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000303301	0	44	-2.0	-125.26	387.33	3.08	-122.18
CNC(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000303302	0	40	-2.0	-113.64	367.95	3.05	-110.59
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000303302	1	39	-3.0	-199.14	365.31	3.09	-196.05
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000303303	1	44	-2.0	-126.80	380.88	4.47	-122.33
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000303304	0	37	-2.0	-113.42	339.93	1.66	-111.76
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000303305	0	41	-2.0	-125.24	365.82	1.62	-123.62
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000303307	1	40	-2.0	-110.90	357.61	3.34	-107.56
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000303308	1	41	-2.0	-105.89	374.20	2.87	-103.02
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000303310	0	37	-2.0	-116.55	346.59	2.42	-114.13
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000303311	0	37	-2.0	-106.10	349.95	3.08	-103.02
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000303312	1	37	-2.0	-107.68	341.43	2.56	-105.12
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000303313	0	34	-2.0	-110.68	329.17	1.64	-109.04
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000303314	1	37	-2.0	-111.40	343.31	2.59	-108.81
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000303315	0	40	-2.0	-119.19	362.66	3.23	-115.96
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000303316	0	37	-2.0	-108.60	342.36	2.59	-106.01
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000303317	1	37	-2.0	-105.90	349.39	2.92	-102.98
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000303318	1	40	-2.0	-112.49	366.34	3.72	-108.77
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000303319	1	37	-2.0	-109.30	347.73	2.62	-106.68
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000303320	0	39	-2.0	-105.59	365.10	3.18	-102.41
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000303321	0	38	-2.0	-118.66	346.60	0.24	-118.42
CNC(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000303321	1	38	-2.0	-112.31	335.37	1.16	-111.15
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000303322	1	40	-2.0	-111.72	359.08	3.30	-108.42
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000303323	1	40	-2.0	-119.57	346.47	3.21	-116.36
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000303324	1	40	-2.0	-121.24	361.73	3.17	-118.07
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000303326	1	43	-2.0	-126.11	369.58	3.64	-122.47
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000303327	0	39	-2.0	-118.51	363.18	3.64	-114.87
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000303328	0	37	-2.0	-110.33	348.38	2.70	-107.63
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000303330	0	40	-2.0	-120.51	361.81	3.26	-117.25
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000303331	0	40	-2.0	-117.22	368.66	3.66	-113.56
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000303332	0	40	-2.0	-129.13	361.93	3.21	-125.92
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)NC)=C2)C=C1C(=O)[O-]	REAL300000303333	1	43	-2.0	-124.95	371.06	3.76	-121.19
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000303334	1	44	-2.0	-123.03	387.38	2.65	-120.38
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000303335	1	40	-2.0	-112.22	362.97	3.73	-108.49
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000303336	1	40	-2.0	-120.20	368.12	3.49	-116.71
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)NC)=C2)C=C1C(=O)[O-]	REAL300000303337	0	41	-2.0	-122.05	365.03	2.73	-119.32
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000303338	1	40	-2.0	-115.74	366.84	3.48	-112.26
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000303339	1	40	-2.0	-108.93	352.75	3.10	-105.83
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000303340	1	40	-2.0	-117.53	356.44	3.36	-114.17
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000303341	0	39	-2.0	-131.82	360.63	4.38	-127.44
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000303342	0	37	-2.0	-128.31	340.56	2.56	-125.75
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000303343	1	40	-2.0	-113.97	358.15	3.10	-110.87
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000303344	1	43	-2.0	-131.63	377.92	4.64	-126.99
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000303345	0	36	-2.0	-117.39	333.88	0.58	-116.81
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000303346	0	41	-2.0	-112.79	365.09	2.33	-110.46
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000303347	0	34	-2.0	-107.98	337.05	1.50	-106.48
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000303348	1	44	-2.0	-114.39	383.03	4.41	-109.98
CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000303349	1	44	-2.0	-119.98	382.34	4.40	-115.58
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)NC)=C2)C=C(C(=O)[O-])O1	REAL300000303350	0	40	-2.0	-114.73	358.75	2.56	-112.17
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)C=C1	REAL300000303351	1	43	-2.0	-98.61	380.02	4.09	-94.52
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1	REAL300000303352	0	38	-2.0	-103.78	352.60	4.52	-99.26
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1	REAL300000303353	0	37	-2.0	-91.81	355.96	2.88	-88.93
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303354	1	39	-2.0	-94.37	364.94	4.63	-89.74
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300000303355	1	39	-2.0	-90.66	364.91	4.63	-86.03
O=C([O-])CCNC(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000303356	0	41	-2.0	-103.82	379.03	4.68	-99.14
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000303356	1	40	-3.0	-149.41	372.54	4.81	-144.60
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)C=C1	REAL300000303357	1	45	-2.0	-98.33	389.63	6.15	-92.18
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303358	0	40	-2.0	-91.68	357.19	3.20	-88.48
O=C([O-])CCNC(=O)C1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000303359	0	41	-2.0	-101.46	379.06	4.67	-96.79
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000303359	1	40	-3.0	-162.38	372.58	4.80	-157.58
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300000303360	1	38	-2.0	-88.70	356.80	4.36	-84.34
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303361	1	41	-2.0	-100.68	365.51	4.91	-95.77
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1	REAL300000303363	1	38	-2.0	-94.00	360.83	4.76	-89.24
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300000303364	1	43	-2.0	-96.26	385.34	4.65	-91.61
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303365	1	44	-2.0	-97.35	381.00	5.69	-91.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1C	REAL300000303366	1	44	-2.0	-98.30	382.53	5.45	-92.85
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303367	1	43	-2.0	-109.32	386.87	4.72	-104.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C(C)=C1	REAL300000303368	1	44	-2.0	-96.86	381.00	5.68	-91.18
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300000303369	1	47	-2.0	-96.24	404.33	6.17	-90.07
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CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300000303371	1	47	-2.0	-96.28	408.49	6.46	-89.82
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COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300000303376	1	42	-2.0	-95.18	373.59	3.54	-91.64
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CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300000303379	1	45	-2.0	-94.84	395.45	4.47	-90.37
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O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1	REAL300000303382	0	38	-2.0	-91.72	356.92	4.38	-87.34
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C(C)=C1	REAL300000303383	1	47	-2.0	-98.59	395.29	6.58	-92.01
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)S1	REAL300000303387	0	38	-2.0	-96.35	357.92	4.04	-92.31
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CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300000303389	1	42	-2.0	-94.91	384.29	5.26	-89.65
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CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303391	0	44	-2.0	-98.66	380.80	3.28	-95.38
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CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300000303393	1	44	-2.0	-96.52	386.99	5.68	-90.84
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CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303398	1	41	-2.0	-93.60	365.98	5.08	-88.52
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000303399	0	41	-3.0	-160.44	379.21	4.16	-156.28
CN1C=C(S(=O)(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000303399	1	42	-2.0	-103.19	385.89	4.01	-99.18
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1Cl	REAL300000303400	0	38	-2.0	-106.28	361.57	3.79	-102.49
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000303401	0	43	-2.0	-95.88	386.31	0.40	-95.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1F	REAL300000303402	1	42	-2.0	-93.90	379.81	3.61	-90.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1C	REAL300000303403	1	45	-2.0	-98.95	393.66	4.28	-94.67
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=N1	REAL300000303404	0	38	-2.0	-97.59	348.65	1.95	-95.64
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303405	1	41	-2.0	-93.87	376.32	5.53	-88.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1Cl	REAL300000303406	1	41	-2.0	-94.48	379.58	5.35	-89.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1F	REAL300000303407	1	41	-2.0	-94.45	370.83	4.95	-89.50
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303408	1	41	-2.0	-94.15	376.32	5.52	-88.63
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303409	0	41	-2.0	-100.79	371.01	4.97	-95.82
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303410	1	41	-2.0	-94.16	365.99	5.09	-89.07
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O=C([O-])CCNC(=O)C1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000303411	1	38	-2.0	-102.09	366.94	3.81	-98.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C(C)=C1	REAL300000303412	1	45	-2.0	-98.07	389.06	4.31	-93.76
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303413	0	42	-2.0	-99.43	375.28	2.60	-96.83
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CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000303415	0	40	-3.0	-155.59	375.60	3.95	-151.64
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O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1	REAL300000303417	0	37	-2.0	-89.26	345.52	2.52	-86.74
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1	REAL300000303418	0	43	-2.0	-98.03	380.25	4.67	-93.36
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303419	0	38	-2.0	-107.30	348.12	3.34	-103.96
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CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=CN1C	REAL300000303421	0	41	-2.0	-108.55	367.63	3.14	-105.41
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=N1	REAL300000303422	0	41	-2.0	-97.75	370.18	2.81	-94.94
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303423	1	45	-2.0	-101.78	399.17	3.96	-97.82
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1	REAL300000303424	1	43	-2.0	-98.46	380.07	3.54	-94.92
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303425	0	38	-2.0	-93.08	344.52	1.29	-91.79
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303426	1	42	-2.0	-98.63	373.61	3.54	-95.09
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303427	1	41	-2.0	-97.13	359.17	5.04	-92.09
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=N1	REAL300000303428	0	38	-2.0	-102.40	348.94	1.78	-100.62
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303429	0	38	-2.0	-90.46	344.34	1.87	-88.59
COCCS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303430	1	38	-2.0	-91.10	340.99	1.05	-90.05
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C(F)=C1	REAL300000303433	0	41	-2.0	-103.29	371.01	4.98	-98.31
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=CC=C1F	REAL300000303434	1	41	-2.0	-91.24	370.82	4.94	-86.30
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1	REAL300000303435	0	35	-2.0	-105.80	325.40	1.64	-104.16
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)O1	REAL300000303436	0	41	-2.0	-94.78	383.65	3.04	-91.74
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CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=CN=C1Cl	REAL300000303438	0	40	-2.0	-89.70	374.75	3.47	-86.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)SC=C1	REAL300000303440	0	38	-2.0	-97.69	354.84	3.88	-93.81
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1C	REAL300000303441	0	47	-2.0	-98.66	402.61	4.15	-94.51
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303442	1	42	-2.0	-94.11	380.37	5.42	-88.69
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303443	1	42	-2.0	-90.40	380.35	5.41	-84.99
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CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=N1	REAL300000303445	0	44	-2.0	-97.59	388.87	3.33	-94.26
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CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=CN1	REAL300000303447	0	44	-2.0	-102.80	387.90	2.70	-100.10
CC(C)OCCS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303449	1	44	-2.0	-91.55	383.12	2.76	-88.79
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=CC(C)=C1F	REAL300000303450	1	44	-2.0	-94.75	391.13	5.58	-89.17
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000303451	0	37	-3.0	-151.01	364.82	3.93	-147.08
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303452	0	47	-2.0	-103.44	408.68	5.22	-98.22
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=CN1	REAL300000303453	0	42	-2.0	-97.60	387.50	2.59	-95.01
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303454	1	41	-2.0	-93.68	364.49	5.06	-88.62
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)S1	REAL300000303455	0	40	-2.0	-94.94	370.62	2.74	-92.20
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CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303457	1	44	-2.0	-97.76	387.01	5.67	-92.09
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303458	1	41	-2.0	-94.13	371.92	4.97	-89.16
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COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)SC=C1	REAL300000303461	0	39	-2.0	-104.32	366.27	2.53	-101.79
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CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303463	0	38	-2.0	-90.97	359.08	3.19	-87.78
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)N=C1Cl	REAL300000303464	0	38	-2.0	-102.84	364.28	3.07	-99.77
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NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303466	0	39	-2.0	-92.23	366.32	2.08	-90.15
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)S1	REAL300000303467	0	37	-2.0	-93.74	352.63	2.08	-91.66
COCCOCCS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303468	1	45	-2.0	-93.81	396.47	1.28	-92.53
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1F	REAL300000303469	0	41	-2.0	-96.09	376.32	5.01	-91.08
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303470	0	44	-2.0	-103.34	389.54	4.63	-98.71
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=N1	REAL300000303471	0	45	-2.0	-96.25	403.86	1.86	-94.39
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303473	0	44	-2.0	-103.38	391.42	5.00	-98.38
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1F	REAL300000303474	0	41	-2.0	-101.53	369.92	4.95	-96.58
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=N1	REAL300000303475	0	44	-2.0	-93.93	393.13	1.87	-92.06
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1	REAL300000303476	0	45	-2.0	-108.87	389.88	4.28	-104.59
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300000303477	1	45	-2.0	-96.73	399.17	3.97	-92.76
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303478	0	43	-2.0	-100.22	383.37	1.23	-98.99
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1Cl	REAL300000303479	0	41	-2.0	-98.58	375.97	5.39	-93.19
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C(C)O1	REAL300000303481	0	41	-2.0	-95.53	367.08	3.82	-91.71
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303482	0	45	-2.0	-98.77	390.70	4.28	-94.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)O1	REAL300000303483	0	38	-2.0	-99.54	348.70	3.06	-96.48
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303484	0	41	-2.0	-100.17	377.75	4.66	-95.51
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1	REAL300000303485	1	41	-2.0	-94.10	370.15	2.90	-91.20
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1	REAL300000303486	0	37	-2.0	-89.33	355.86	2.94	-86.39
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)N=C1C	REAL300000303487	0	44	-2.0	-108.37	389.65	4.05	-104.32
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303488	0	41	-2.0	-98.07	378.65	5.47	-92.60
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303489	0	41	-2.0	-98.73	383.99	2.99	-95.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C(Cl)=N1	REAL300000303490	0	40	-2.0	-96.14	374.00	3.56	-92.58
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)S1	REAL300000303491	0	40	-2.0	-96.25	374.11	2.82	-93.43
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1	REAL300000303492	0	41	-2.0	-107.47	372.03	4.56	-102.91
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1	REAL300000303494	1	41	-2.0	-99.54	376.28	5.11	-94.43
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303495	0	42	-2.0	-105.43	380.19	5.31	-100.12
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303496	1	47	-2.0	-102.01	398.11	6.24	-95.77
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=CC=C1F	REAL300000303497	1	42	-2.0	-90.90	379.82	3.62	-87.28
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1	REAL300000303498	0	35	-2.0	-98.71	326.78	2.24	-96.47
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303499	0	37	-2.0	-89.14	338.57	0.66	-88.48
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1	REAL300000303500	0	37	-2.0	-92.07	365.27	4.00	-88.07
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1	REAL300000303501	0	42	-2.0	-98.90	372.09	3.68	-95.22
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303502	1	44	-2.0	-98.92	374.34	5.97	-92.95
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303504	0	41	-2.0	-100.81	363.70	5.22	-95.59
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303505	0	41	-2.0	-94.15	368.69	1.72	-92.43
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303506	1	42	-2.0	-99.55	376.95	5.51	-94.04
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303507	1	42	-2.0	-102.09	386.36	5.41	-96.68
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303508	1	44	-2.0	-90.40	380.92	6.02	-84.38
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C(N)=NO1	REAL300000303509	0	39	-2.0	-91.52	351.64	1.62	-89.90
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303510	1	45	-2.0	-98.59	389.06	4.32	-94.27
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)S1	REAL300000303512	0	36	-2.0	-89.29	356.61	3.79	-85.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=N1	REAL300000303513	0	40	-2.0	-97.49	360.70	3.08	-94.41
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1	REAL300000303514	0	43	-2.0	-96.78	385.30	4.60	-92.18
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=CC=C1C#N	REAL300000303515	1	42	-2.0	-93.25	384.07	5.13	-88.12
COC(C)CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303516	1	41	-2.0	-95.68	359.65	2.22	-93.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C(F)=C1	REAL300000303517	0	42	-2.0	-100.98	379.08	3.60	-97.38
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CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)N(C)N=C1	REAL300000303520	0	41	-2.0	-93.62	361.00	2.71	-90.91
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O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1	REAL300000303522	0	35	-2.0	-93.65	335.20	3.16	-90.49
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1	REAL300000303523	0	35	-2.0	-94.49	326.64	2.13	-92.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=N1	REAL300000303524	0	41	-2.0	-94.01	371.28	0.93	-93.08
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1	REAL300000303525	0	41	-2.0	-101.01	370.71	2.87	-98.14
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303526	1	45	-2.0	-101.65	395.45	4.47	-97.18
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1	REAL300000303527	0	35	-2.0	-96.43	352.08	3.70	-92.73
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303528	0	38	-2.0	-95.51	357.67	3.90	-91.61
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1	REAL300000303529	0	35	-2.0	-93.34	342.39	1.04	-92.30
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1	REAL300000303530	0	37	-2.0	-92.16	351.02	2.36	-89.80
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300000303531	0	37	-2.0	-93.73	352.60	2.54	-91.19
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1	REAL300000303533	1	45	-2.0	-96.35	393.33	6.35	-90.00
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1	REAL300000303534	0	35	-2.0	-98.73	342.38	3.29	-95.44
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1F	REAL300000303535	0	39	-2.0	-88.40	370.80	4.67	-83.73
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303537	0	38	-2.0	-118.42	349.46	0.17	-118.25
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1	REAL300000303538	0	35	-2.0	-100.72	325.72	0.82	-99.90
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1	REAL300000303539	0	43	-2.0	-104.80	381.10	1.16	-103.64
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)S1	REAL300000303540	0	41	-2.0	-98.06	375.55	4.78	-93.28
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303541	0	40	-2.0	-88.70	371.65	3.62	-85.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=NN1C	REAL300000303543	0	41	-2.0	-95.90	367.01	2.45	-93.45
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300000303544	1	42	-2.0	-96.88	375.18	5.33	-91.55
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303545	0	41	-2.0	-98.30	367.48	2.60	-95.70
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1	REAL300000303546	1	43	-2.0	-102.08	379.90	4.08	-98.00
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303547	0	41	-2.0	-97.50	371.23	5.75	-91.75
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1	REAL300000303548	0	43	-2.0	-108.36	380.41	4.08	-104.28
CCC(CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1)OC	REAL300000303549	1	44	-2.0	-97.00	374.64	3.17	-93.83
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303550	1	50	-2.0	-97.54	413.32	4.49	-93.05
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)CCOCC2CC2)C=C1	REAL300000303551	1	45	-2.0	-91.39	394.52	3.60	-87.79
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C(F)=C1	REAL300000303552	0	41	-2.0	-102.68	374.02	5.21	-97.47
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1)C1CC1	REAL300000303553	1	45	-2.0	-96.82	385.08	4.00	-92.82
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303554	0	42	-2.0	-99.87	378.77	4.09	-95.78
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303555	0	37	-2.0	-91.82	341.05	2.20	-89.62
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000303556	1	41	-2.0	-91.94	379.57	5.35	-86.59
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300000303557	0	43	-2.0	-109.34	385.56	0.28	-109.06
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1	REAL300000303558	0	37	-2.0	-98.89	344.61	2.42	-96.47
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1	REAL300000303560	0	37	-2.0	-91.21	345.50	2.40	-88.81
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)CCOCC2CCC2)C=C1	REAL300000303561	1	48	-2.0	-91.41	411.09	4.13	-87.28
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1)C(C)C	REAL300000303562	1	47	-2.0	-95.30	394.83	3.09	-92.21
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CC1=CC=C(OC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000303661	0	39	-2.0	-104.53	368.73	7.74	-96.79
CC1=CC=C(OC2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000303662	0	43	-2.0	-113.82	386.94	6.32	-107.50
CC1=CC=C(OC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000303663	0	45	-2.0	-102.39	398.95	9.38	-93.01
CC1=CC=C(OC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000303664	0	45	-2.0	-112.49	385.92	9.19	-103.30
CC1=CC=C(OC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000303665	0	45	-2.0	-102.43	392.63	9.41	-93.02
CC1=CC=C(OC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000303666	0	45	-2.0	-99.53	392.86	9.12	-90.41
CC1=CC=C(OC2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000303667	0	41	-2.0	-109.09	372.97	6.71	-102.38
CN1C2=CC=CC=C2SC1=NNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000303698	0	36	-2.0	-114.33	341.60	5.75	-108.58
CN1C(=N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)SC2=CC=CC=C21	REAL300000303704	0	35	-2.0	-105.19	350.40	7.17	-98.02
CN1C2=CC=CC=C2SC1=N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000303716	1	32	-2.0	-103.61	338.77	6.02	-97.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=CC=C1F	REAL300000303718	1	34	-2.0	-102.52	325.85	5.52	-97.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1	REAL300000303719	1	34	-2.0	-92.87	321.30	5.51	-87.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303720	1	34	-2.0	-104.78	321.32	5.49	-99.29
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)N=C1	REAL300000303721	0	38	-2.0	-110.23	349.46	5.30	-104.93
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1	REAL300000303722	1	38	-2.0	-92.77	352.77	6.80	-85.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000303723	1	37	-2.0	-107.13	341.39	6.13	-101.00
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303724	0	34	-2.0	-100.85	334.39	6.06	-94.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=CC=C1Cl	REAL300000303725	1	34	-2.0	-100.78	333.82	5.88	-94.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1C	REAL300000303726	1	40	-2.0	-108.04	353.71	6.80	-101.24
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303727	0	34	-2.0	-102.04	326.79	5.55	-96.49
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1	REAL300000303728	1	40	-2.0	-91.96	364.88	7.07	-84.89
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303729	0	31	-2.0	-99.21	314.50	4.51	-94.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)N=C1	REAL300000303730	1	37	-2.0	-106.28	336.76	6.27	-100.01
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1	REAL300000303731	1	38	-2.0	-91.42	352.39	5.77	-85.65
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000303732	0	35	-2.0	-103.19	327.97	4.85	-98.34
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)N=C1	REAL300000303733	1	38	-2.0	-106.71	345.53	4.31	-102.40
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303734	0	34	-2.0	-95.50	330.43	5.17	-90.33
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000303735	1	40	-2.0	-107.61	352.39	6.83	-100.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=CS1	REAL300000303736	0	31	-2.0	-100.67	312.97	4.52	-96.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000303737	1	38	-2.0	-110.61	348.61	5.57	-105.04
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303738	1	44	-2.0	-109.56	376.56	8.13	-101.43
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)N=C1	REAL300000303739	1	43	-2.0	-108.26	375.22	7.51	-100.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)N=C1	REAL300000303740	1	40	-2.0	-104.95	351.44	7.22	-97.73
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)N=C1	REAL300000303741	0	41	-2.0	-110.21	371.75	6.05	-104.16
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3C=CC=N3)N=C2)=CC(C(=O)[O-])=C1	REAL300000303742	0	37	-2.0	-113.05	356.28	5.96	-107.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=CC(C(=O)[O-])=C1	REAL300000303742	1	36	-3.0	-178.66	349.72	6.06	-172.60
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303743	1	41	-2.0	-109.95	365.56	7.40	-102.55
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C(C(=O)[O-])O1	REAL300000303744	0	34	-2.0	-99.30	324.33	4.64	-94.66
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303745	0	38	-2.0	-105.90	350.30	4.60	-101.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C(Cl)C=C1F	REAL300000303746	0	34	-2.0	-97.80	338.91	6.09	-91.71
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=CC=C1OCC(=O)[O-]	REAL300000303747	1	41	-2.0	-91.79	372.47	6.47	-85.32
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)N=C1	REAL300000303748	0	37	-2.0	-97.00	342.02	6.31	-90.69
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1F	REAL300000303749	1	38	-2.0	-91.11	358.61	5.83	-85.28
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000303750	1	41	-2.0	-111.21	370.45	6.48	-104.73
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C(C(=O)[O-])S1	REAL300000303751	0	34	-2.0	-102.59	331.01	5.38	-97.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C(Cl)=C1	REAL300000303752	0	34	-2.0	-90.62	334.37	6.06	-84.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1F	REAL300000303753	1	34	-2.0	-92.54	325.83	5.54	-87.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)S1	REAL300000303754	0	31	-2.0	-94.37	313.59	4.61	-89.76
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303755	0	34	-2.0	-95.85	327.72	5.56	-90.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1F	REAL300000303756	0	37	-2.0	-103.26	347.06	6.19	-97.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C(F)=C1	REAL300000303757	0	34	-2.0	-92.03	326.78	5.57	-86.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1Cl	REAL300000303758	1	34	-2.0	-90.53	333.82	5.89	-84.64
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)N=C1	REAL300000303759	1	37	-2.0	-98.66	350.76	6.69	-91.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=CC(F)=C1F	REAL300000303760	1	34	-2.0	-94.37	332.15	5.58	-88.79
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303761	0	36	-2.0	-90.17	349.52	6.15	-84.02
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303762	0	35	-2.0	-105.33	331.03	3.20	-102.13
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303762	1	35	-2.0	-106.81	330.19	4.00	-102.81
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1	REAL300000303763	1	37	-2.0	-96.31	343.49	6.27	-90.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=CC(Cl)=C1F	REAL300000303764	1	34	-2.0	-95.68	342.03	6.02	-89.66
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)N=C1	REAL300000303765	1	37	-2.0	-101.00	331.39	6.13	-94.87
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000303766	1	37	-2.0	-103.78	346.15	6.14	-97.64
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)N=C1	REAL300000303767	1	37	-2.0	-93.36	336.73	6.27	-87.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000303768	1	40	-2.0	-108.90	358.12	6.66	-102.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=CC=C1[N+](=O)[O-]	REAL300000303769	0	36	-2.0	-103.73	347.87	6.58	-97.15
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303770	0	34	-2.0	-93.78	333.07	5.63	-88.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C(C)=C1C(=O)[O-]	REAL300000303771	1	40	-2.0	-105.09	355.80	6.88	-98.21
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000303772	0	37	-2.0	-103.00	342.79	6.09	-96.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1Cl	REAL300000303773	0	37	-2.0	-102.44	353.10	6.63	-95.81
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303774	0	37	-2.0	-109.04	346.33	6.19	-102.85
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000303775	1	40	-2.0	-106.31	355.55	6.67	-99.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1CC(=O)[O-]	REAL300000303776	1	41	-2.0	-106.73	371.78	5.61	-101.12
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)N=C1	REAL300000303777	1	37	-2.0	-95.28	351.86	6.75	-88.53
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000303778	1	37	-2.0	-102.40	352.54	6.45	-95.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000303779	0	38	-2.0	-104.43	349.34	5.71	-98.72
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000303780	1	37	-2.0	-99.22	355.06	6.56	-92.66
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=CC=C1C(=O)[O-]	REAL300000303781	1	37	-2.0	-92.92	337.32	6.03	-86.89
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)N=C1	REAL300000303782	1	37	-2.0	-103.88	341.27	6.31	-97.57
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1[N+](=O)[O-]	REAL300000303783	0	36	-2.0	-111.80	345.06	7.34	-104.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1F	REAL300000303784	0	34	-2.0	-108.40	324.98	5.53	-102.87
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000303785	1	37	-2.0	-97.49	346.26	6.17	-91.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=CC2=CC=CC=C21	REAL300000303786	1	40	-2.0	-112.63	362.36	7.62	-105.01
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300000303787	0	33	-2.0	-102.18	317.54	3.61	-98.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)N=C1	REAL300000303788	0	38	-2.0	-96.80	349.52	5.30	-91.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)=C(Cl)O1	REAL300000303789	0	31	-2.0	-93.07	321.46	4.47	-88.60
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(N4C=CC=N4)N=C3)C=C2)CC1	REAL300000303790	1	41	-2.0	-99.34	367.44	7.37	-91.97
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(N4C=CC=N4)N=C3)C=C2C1	REAL300000303791	1	41	-2.0	-101.94	366.76	7.38	-94.56
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)N=C2)C=C(C(=O)[O-])O1	REAL300000303792	0	37	-2.0	-99.24	343.45	5.49	-93.75
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)O1	REAL300000303793	1	37	-2.0	-103.79	346.71	4.20	-99.59
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2)O1	REAL300000303794	1	37	-2.0	-94.08	342.16	4.18	-89.90
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)O1	REAL300000303795	1	37	-2.0	-106.23	342.18	4.17	-102.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=C(C)O2)C=C1	REAL300000303796	0	41	-2.0	-111.50	370.32	3.97	-107.53
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2)O1	REAL300000303797	1	41	-2.0	-93.68	373.63	5.46	-88.22
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2)O1	REAL300000303798	1	40	-2.0	-107.16	358.20	4.70	-102.46
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2)O1	REAL300000303799	0	37	-2.0	-101.86	355.25	4.74	-97.12
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2)O1	REAL300000303800	1	37	-2.0	-102.07	354.68	4.56	-97.51
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2)O1	REAL300000303801	1	43	-2.0	-109.04	374.58	5.48	-103.56
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)O1	REAL300000303802	0	37	-2.0	-103.38	347.66	4.23	-99.15
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2)O1	REAL300000303803	1	43	-2.0	-92.94	385.74	5.76	-87.18
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)O1	REAL300000303804	0	34	-2.0	-100.53	335.37	3.18	-97.35
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2)O1	REAL300000303805	1	40	-2.0	-107.15	357.61	4.95	-102.20
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2)O1	REAL300000303806	1	41	-2.0	-92.41	373.25	4.45	-87.96
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)O1	REAL300000303807	0	38	-2.0	-104.62	348.82	3.51	-101.11
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2)O1	REAL300000303809	0	37	-2.0	-96.82	351.31	3.85	-92.97
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=C2)O1	REAL300000303810	1	43	-2.0	-108.31	373.64	5.50	-102.81
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)O1	REAL300000303811	0	34	-2.0	-102.05	333.83	3.20	-98.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C)O3)C=C2)C=C1C(=O)[O-]	REAL300000303812	1	41	-2.0	-112.03	369.46	4.24	-107.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=C(C)O2)C=C1	REAL300000303813	1	43	-2.0	-105.67	372.32	5.90	-99.77
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2)O1	REAL300000303814	1	44	-2.0	-111.19	386.43	6.07	-105.12
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)O1	REAL300000303815	0	37	-2.0	-100.41	345.21	3.31	-97.10
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2)O1	REAL300000303816	0	41	-2.0	-107.28	371.14	3.26	-104.02
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2)O1	REAL300000303817	1	40	-2.0	-97.90	362.89	4.99	-92.91
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2)O1	REAL300000303818	0	37	-2.0	-103.78	350.78	4.06	-99.72
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2)O1	REAL300000303819	0	37	-2.0	-91.64	355.23	4.73	-86.91
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)O1	REAL300000303820	1	37	-2.0	-93.62	346.69	4.21	-89.41
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)O1	REAL300000303821	0	34	-2.0	-95.67	334.44	3.30	-92.37
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)O1	REAL300000303822	1	37	-2.0	-97.15	348.58	4.23	-92.92
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2)O1	REAL300000303823	0	40	-2.0	-104.71	367.94	4.87	-99.84
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)O1	REAL300000303824	0	37	-2.0	-93.36	347.64	4.24	-89.12
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)O1	REAL300000303825	1	37	-2.0	-91.65	354.66	4.57	-87.08
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2)O1	REAL300000303826	1	37	-2.0	-95.50	353.01	4.26	-91.24
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)O1	REAL300000303827	0	38	-2.0	-106.22	351.89	1.88	-104.34
CC1=NC=C(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)O1	REAL300000303827	1	38	-2.0	-106.62	351.10	2.69	-103.93
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)O1	REAL300000303828	1	40	-2.0	-97.37	364.35	4.95	-92.42
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2)O1	REAL300000303829	1	40	-2.0	-103.52	356.00	4.91	-98.61
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C2)O1	REAL300000303830	1	40	-2.0	-105.16	367.01	4.82	-100.34
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C2)O1	REAL300000303831	1	40	-2.0	-94.34	357.59	4.94	-89.40
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C2)O1	REAL300000303832	1	43	-2.0	-109.02	375.05	5.24	-103.78
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2)O1	REAL300000303833	0	37	-2.0	-95.12	353.93	4.29	-90.83
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=C2)O1	REAL300000303834	1	43	-2.0	-106.66	376.19	5.55	-101.11
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2)O1	REAL300000303835	0	40	-2.0	-104.39	363.66	4.77	-99.62
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2)O1	REAL300000303836	0	40	-2.0	-110.89	367.21	4.86	-106.03
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C)O3)C=C2)C=C1C(=O)[O-]	REAL300000303837	1	43	-2.0	-107.81	376.42	5.36	-102.45
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C)O3)C=C2)C=C1C(=O)[O-]	REAL300000303838	0	41	-2.0	-105.88	370.20	4.38	-101.50
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2)O1	REAL300000303839	1	40	-2.0	-94.16	358.18	4.71	-89.45
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C2)O1	REAL300000303840	1	40	-2.0	-104.74	362.13	4.98	-99.76
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)O1	REAL300000303841	0	37	-2.0	-110.19	345.80	4.19	-106.00
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2)O1	REAL300000303842	1	40	-2.0	-98.89	367.14	4.85	-94.04
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)O1	REAL300000303843	0	36	-2.0	-103.72	338.39	2.29	-101.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=C(C)O2)C=C1	REAL300000303844	0	41	-2.0	-98.09	370.38	3.97	-94.12
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)O1	REAL300000303845	0	34	-2.0	-94.29	342.32	3.14	-91.15
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2)O1	REAL300000303846	1	44	-2.0	-100.44	388.31	6.06	-94.38
CC1=NC=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2)O1	REAL300000303847	1	44	-2.0	-102.87	387.62	6.07	-96.80
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C)O3)C=C2)C=C(C(=O)[O-])O1	REAL300000303848	0	40	-2.0	-100.26	364.30	4.16	-96.10
CCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000303849	1	39	-2.0	-94.88	363.28	2.04	-92.84
CCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000303850	1	39	-2.0	-107.74	363.32	2.02	-105.72
CCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000303851	1	42	-2.0	-108.71	383.39	2.68	-106.03
CCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000303852	0	36	-2.0	-101.19	356.49	1.05	-100.14
CCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000303853	1	42	-2.0	-107.92	378.74	2.82	-105.10
CCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000303854	0	40	-2.0	-105.91	369.95	1.39	-104.52
CCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000303855	0	36	-2.0	-103.70	354.96	1.06	-102.64
CCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000303856	0	39	-2.0	-101.63	366.33	1.17	-100.46
CCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000303857	0	36	-2.0	-96.24	355.56	1.15	-95.09
CCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000303858	1	42	-2.0	-98.28	385.46	2.81	-95.47
CCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000303859	1	42	-2.0	-103.83	377.12	2.77	-101.06
CCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000303860	1	42	-2.0	-95.41	378.72	2.80	-92.61
CCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000303861	1	42	-2.0	-94.92	379.30	2.58	-92.34
CCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000303862	0	38	-2.0	-104.14	359.50	0.15	-103.99
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300000303863	1	38	-2.0	-89.23	343.54	4.27	-84.96
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1	REAL300000303865	0	39	-2.0	-106.97	346.70	6.77	-100.20
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=C1	REAL300000303866	0	31	-2.0	-103.11	303.50	6.39	-96.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1	REAL300000303867	0	35	-2.0	-113.94	315.22	5.48	-108.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=C1	REAL300000303868	1	31	-2.0	-103.66	303.32	6.16	-97.50
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000303871	0	31	-2.0	-103.72	300.15	6.25	-97.47
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000303872	1	31	-2.0	-104.01	299.58	6.06	-97.95
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=C1	REAL300000303873	0	31	-2.0	-99.35	312.64	6.64	-92.71
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000303875	0	31	-2.0	-105.62	292.56	5.75	-99.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000303876	1	37	-2.0	-94.58	330.65	7.26	-87.32
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=C1	REAL300000303880	0	28	-2.0	-99.37	297.27	5.46	-93.91
CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)C=C1	REAL300000303882	0	31	-2.0	-104.13	311.98	6.32	-97.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1	REAL300000303883	0	31	-2.0	-98.53	296.19	5.36	-93.17
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1	REAL300000303890	0	38	-2.0	-114.64	337.51	6.24	-108.40
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000303891	0	34	-2.0	-107.80	318.18	6.20	-101.60
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000303891	1	33	-3.0	-183.46	315.49	6.25	-177.21
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000303894	0	35	-2.0	-109.27	316.05	4.77	-104.50
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000303896	1	31	-2.0	-97.68	314.75	6.52	-91.16
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000303897	0	31	-2.0	-100.29	304.67	6.27	-94.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=C1	REAL300000303900	1	41	-2.0	-93.07	366.82	6.92	-86.15
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000303901	1	34	-2.0	-99.59	307.79	6.50	-93.09
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C(C(=O)[O-])S1	REAL300000303906	1	31	-2.0	-105.57	295.71	5.57	-100.00
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C1	REAL300000303907	0	31	-2.0	-97.49	315.30	6.70	-90.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000303908	1	31	-2.0	-93.01	300.13	6.24	-86.77
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=C1	REAL300000303909	1	31	-2.0	-92.42	303.48	6.38	-86.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000303910	1	31	-2.0	-94.92	291.62	5.72	-89.20
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000303911	1	31	-2.0	-98.95	293.49	5.75	-93.20
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000303912	0	34	-2.0	-107.08	312.84	6.39	-100.69
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000303913	0	35	-2.0	-97.67	327.38	6.30	-91.37
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000303914	0	31	-2.0	-95.00	292.55	5.75	-89.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000303916	1	34	-2.0	-101.33	316.52	6.88	-94.45
CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)C=C1	REAL300000303917	1	34	-2.0	-98.73	322.18	7.04	-91.69
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1	REAL300000303918	1	39	-2.0	-92.02	350.82	7.09	-84.93
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000303920	1	31	-2.0	-97.02	297.90	5.77	-91.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000303921	1	33	-2.0	-93.04	315.27	6.34	-86.70
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000303922	0	32	-2.0	-108.15	296.79	3.40	-104.75
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000303922	1	32	-2.0	-105.45	295.99	4.18	-101.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000303924	1	34	-2.0	-99.41	309.25	6.46	-92.95
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000303925	1	31	-2.0	-98.46	307.78	6.20	-92.26
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)C=C1	REAL300000303927	1	34	-2.0	-101.89	320.55	6.96	-94.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000303931	1	33	-2.0	-106.30	313.65	6.77	-99.53
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000303932	0	31	-2.0	-97.08	298.83	5.81	-91.27
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=C1	REAL300000303933	0	28	-2.0	-95.22	299.66	5.37	-89.85
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000303935	0	34	-2.0	-106.87	308.55	6.28	-100.59
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000303936	0	34	-2.0	-105.63	318.83	6.81	-98.82
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000303937	0	34	-2.0	-113.11	312.12	6.37	-106.74
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)C=C1	REAL300000303939	1	31	-2.0	-99.75	308.02	6.42	-93.33
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000303941	1	34	-2.0	-98.27	317.62	6.94	-91.33
CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1	REAL300000303944	1	31	-2.0	-100.94	308.37	6.30	-94.64
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Br)C=C1	REAL300000303945	0	34	-2.0	-105.18	321.64	6.94	-98.24
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1C(=O)[O-]	REAL300000303946	1	35	-2.0	-107.94	315.10	5.90	-102.04
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)C=C1	REAL300000303948	0	31	-2.0	-95.41	309.19	6.44	-88.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=C1	REAL300000303949	0	31	-2.0	-95.69	312.66	6.24	-89.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=C1	REAL300000303950	0	35	-2.0	-94.65	331.78	5.97	-88.68
CC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1	REAL300000303952	1	40	-2.0	-105.08	336.52	7.82	-97.26
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1C(=O)[O-]	REAL300000303953	1	35	-2.0	-109.36	327.40	6.31	-103.05
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300000303956	0	36	-2.0	-100.23	330.36	7.87	-92.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000303958	0	33	-2.0	-115.38	310.83	7.54	-107.84
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000303959	0	31	-2.0	-112.32	290.74	5.71	-106.61
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000303960	1	34	-2.0	-100.85	312.04	6.35	-94.50
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000303961	1	37	-2.0	-116.69	328.12	7.81	-108.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1	REAL300000303962	0	35	-2.0	-100.01	315.28	5.48	-94.53
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000303963	0	28	-2.0	-95.91	287.23	4.66	-91.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=C1	REAL300000303965	0	34	-2.0	-99.24	330.42	2.71	-96.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000303966	1	38	-2.0	-102.39	333.20	7.56	-94.83
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000303967	1	38	-2.0	-105.11	332.53	7.56	-97.55
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C(C(=O)[O-])O1	REAL300000303968	0	34	-2.0	-101.95	309.20	5.68	-96.27
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=NC=N2)C=C1	REAL300000303972	0	38	-2.0	-108.23	347.10	7.33	-100.90
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1	REAL300000303975	1	34	-2.0	-98.83	332.03	8.10	-90.73
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1	REAL300000303978	0	34	-2.0	-100.22	324.43	7.59	-92.63
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1	REAL300000303980	0	31	-2.0	-97.98	312.14	6.54	-91.44
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)C=C1C(=O)[O-]	REAL300000303983	1	35	-2.0	-101.90	325.61	6.87	-95.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1	REAL300000303985	0	34	-2.0	-94.27	328.08	7.21	-87.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=CS1	REAL300000303987	1	31	-2.0	-99.35	310.61	6.57	-92.78
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=NC=N2)C=C1	REAL300000303992	0	41	-2.0	-108.67	369.39	8.08	-100.59
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3C=NC=N3)C=C2)=CC(C(=O)[O-])=C1	REAL300000303993	0	37	-2.0	-114.73	353.88	7.96	-106.77
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000303995	0	34	-2.0	-97.79	321.99	6.66	-91.13
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1	REAL300000303996	0	38	-2.0	-104.55	347.94	6.62	-97.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C(Cl)C=C1F	REAL300000303997	1	34	-2.0	-96.02	336.54	8.12	-87.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000304002	1	34	-2.0	-100.85	327.57	7.42	-93.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)C(Cl)=C1	REAL300000304003	1	34	-2.0	-89.37	332.01	8.09	-81.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)S1	REAL300000304005	0	31	-2.0	-93.21	311.22	6.66	-86.55
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1	REAL300000304006	1	34	-2.0	-94.56	325.37	7.59	-86.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1F	REAL300000304007	0	37	-2.0	-101.55	344.73	8.23	-93.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)C(F)=C1	REAL300000304008	0	34	-2.0	-90.97	324.42	7.60	-83.37
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1	REAL300000304012	1	36	-2.0	-92.62	347.15	8.20	-84.42
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3C=NC=N3)C=C2)=C1	REAL300000304013	0	35	-2.0	-104.92	327.88	6.04	-98.88
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1	REAL300000304013	1	35	-2.0	-102.93	328.67	5.24	-97.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000304020	1	36	-2.0	-106.04	345.51	8.62	-97.42
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1	REAL300000304021	0	34	-2.0	-92.26	330.70	7.65	-84.61
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)C=C1C(=O)[O-]	REAL300000304023	0	37	-2.0	-101.21	340.43	8.13	-93.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1Cl	REAL300000304024	1	37	-2.0	-100.54	350.70	8.68	-91.86
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1	REAL300000304025	0	37	-2.0	-108.22	343.99	8.22	-100.00
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)C=C1C(=O)[O-]	REAL300000304030	1	38	-2.0	-103.10	346.98	7.75	-95.35
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1[N+](=O)[O-]	REAL300000304034	0	36	-2.0	-110.73	342.68	9.39	-101.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1F	REAL300000304035	0	34	-2.0	-107.55	322.61	7.56	-99.99
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C1	REAL300000304038	0	33	-2.0	-100.92	315.17	5.65	-95.27
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=NC=N2)C=C1	REAL300000304039	1	38	-2.0	-95.52	347.16	7.32	-88.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)=C(Cl)O1	REAL300000304040	0	31	-2.0	-91.79	319.11	6.50	-85.29
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000304043	0	37	-2.0	-97.56	341.08	7.52	-90.04
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3=CC=CC=C3)C=C2)=C1	REAL300000304047	0	39	-2.0	-101.98	370.15	7.29	-94.69
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000304049	1	43	-2.0	-106.11	383.61	7.63	-98.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=CC=CC=C3)C=C2)=CS1	REAL300000304050	1	39	-2.0	-103.45	368.61	7.31	-96.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=CC=CC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000304051	0	42	-2.0	-101.74	379.97	7.41	-94.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=CC=CC=C3)C=C2)S1	REAL300000304052	0	39	-2.0	-96.93	369.23	7.41	-89.52
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCC3=CC=CC=C3)C=C2)=C1	REAL300000304053	0	43	-2.0	-107.86	386.68	5.99	-101.87
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OCC3=CC=CC=C3)C=C2)=C1	REAL300000304053	1	43	-2.0	-106.66	385.87	6.78	-99.88
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCC3=CC=CC=C3)C=C2)=C1	REAL300000304058	0	41	-2.0	-105.76	373.18	6.39	-99.37
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000304063	0	42	-2.0	-112.45	382.68	4.75	-107.70
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000304064	0	39	-2.0	-108.81	370.39	3.70	-105.11
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000304066	1	43	-2.0	-109.25	383.86	4.05	-105.20
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000304067	0	42	-2.0	-104.96	386.34	4.38	-100.58
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000304068	1	39	-2.0	-110.27	368.86	3.72	-106.55
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000304069	0	42	-2.0	-104.84	380.24	3.83	-101.01
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000304070	1	42	-2.0	-107.98	385.83	4.57	-103.41
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000304072	0	39	-2.0	-100.34	369.46	3.81	-96.53
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000304073	1	42	-2.0	-105.38	383.61	4.76	-100.62
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000304074	0	42	-2.0	-101.40	382.67	4.76	-96.64
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000304075	0	43	-2.0	-110.26	386.91	2.41	-107.85
CCNC(=O)COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000304075	1	43	-2.0	-114.18	386.11	3.20	-110.98
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000304079	1	46	-2.0	-110.63	405.23	4.91	-105.72
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000304081	0	42	-2.0	-115.14	380.86	4.72	-110.42
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000304082	0	41	-2.0	-112.20	373.42	2.80	-109.40
CCNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000304083	0	45	-2.0	-104.73	399.33	4.69	-100.04
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1F	REAL300000304084	1	39	-2.0	-83.87	361.22	0.46	-83.41
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304085	1	32	-2.0	-98.63	309.28	1.90	-96.73
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(N)=O)=C1	REAL300000304086	0	40	-2.0	-100.40	364.37	2.97	-97.43
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1F	REAL300000304087	1	32	-2.0	-89.26	304.73	1.88	-87.38
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000304088	1	32	-2.0	-100.45	304.74	1.87	-98.58
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(N)=O)=C1	REAL300000304089	0	36	-2.0	-106.05	332.89	1.67	-104.38
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1F	REAL300000304090	1	36	-2.0	-89.56	336.21	3.17	-86.39
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1F	REAL300000304092	0	32	-2.0	-97.02	317.82	2.45	-94.57
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304093	1	32	-2.0	-96.65	317.25	2.27	-94.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)=C1C	REAL300000304094	1	38	-2.0	-104.36	337.42	3.23	-101.13
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000304095	0	32	-2.0	-97.95	310.22	1.94	-96.01
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000304096	1	38	-2.0	-88.44	348.32	3.46	-84.98
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000304097	0	29	-2.0	-95.28	297.93	0.89	-94.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(N)=O)=C1	REAL300000304098	1	35	-2.0	-102.42	320.18	2.67	-99.75
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000304100	1	33	-2.0	-99.15	311.39	1.22	-97.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)=C1	REAL300000304102	0	32	-2.0	-91.60	313.87	1.56	-90.04
NC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000304104	0	29	-2.0	-96.66	296.39	0.91	-95.75
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000304105	1	40	-2.0	-101.00	363.05	1.68	-99.32
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1F	REAL300000304107	1	42	-2.0	-105.66	360.00	4.49	-101.17
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(N)=O)=C1	REAL300000304108	1	41	-2.0	-104.31	358.65	3.88	-100.43
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(N)=O)=C1	REAL300000304109	1	38	-2.0	-101.35	334.89	3.60	-97.75
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(N)=O)=C1	REAL300000304110	0	39	-2.0	-105.56	355.18	2.43	-103.13
NC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000304111	0	35	-2.0	-112.54	335.63	2.44	-110.10
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000304111	1	34	-3.0	-172.33	333.16	2.44	-169.89
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1F	REAL300000304112	1	39	-2.0	-106.06	349.01	3.78	-102.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000304113	0	32	-2.0	-95.93	307.75	1.01	-94.92
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304114	1	38	-2.0	-105.14	346.91	1.65	-103.49
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)=C1	REAL300000304115	0	36	-2.0	-101.34	333.73	0.96	-100.38
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1F	REAL300000304117	0	32	-2.0	-94.28	322.34	2.46	-91.82
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(N)=O)=C1	REAL300000304119	1	35	-2.0	-93.46	325.45	2.69	-90.77
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1F	REAL300000304120	1	36	-2.0	-88.05	342.04	2.22	-85.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)C=C(C(=O)[O-])S1	REAL300000304122	1	32	-2.0	-99.19	313.35	1.76	-97.43
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1F	REAL300000304123	0	32	-2.0	-87.01	317.80	2.44	-84.57
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000304124	1	32	-2.0	-89.16	309.27	1.91	-87.25
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000304125	0	29	-2.0	-90.54	297.02	1.00	-89.54
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000304126	1	32	-2.0	-91.86	311.15	1.94	-89.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)=C1F	REAL300000304127	0	35	-2.0	-99.17	330.52	2.58	-96.59
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000304128	0	32	-2.0	-88.19	310.21	1.95	-86.24
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300000304129	1	32	-2.0	-86.99	317.24	2.28	-84.71
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(N)=O)=C1	REAL300000304130	1	35	-2.0	-95.05	334.19	3.08	-91.97
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1F	REAL300000304131	1	40	-2.0	-86.76	368.49	3.29	-83.47
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304132	1	32	-2.0	-90.70	315.56	1.97	-88.73
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000304133	0	34	-2.0	-86.49	332.94	2.54	-83.95
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000304134	0	33	-2.0	-101.72	314.46	-0.42	-102.14
NC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000304134	1	33	-2.0	-102.25	303.49	0.47	-101.78
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000304135	1	35	-2.0	-92.25	326.93	2.66	-89.59
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304136	1	32	-2.0	-91.89	325.45	2.40	-89.49
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(N)=O)=C1	REAL300000304137	1	35	-2.0	-96.30	314.82	2.51	-93.79
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000304138	1	35	-2.0	-99.71	329.60	2.53	-97.18
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300000304141	0	34	-2.0	-100.07	331.31	2.96	-97.11
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1F	REAL300000304142	0	32	-2.0	-89.91	316.50	2.00	-87.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000304144	0	35	-2.0	-100.08	330.06	2.57	-97.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)=C1Cl	REAL300000304145	0	35	-2.0	-98.55	336.49	3.01	-95.54
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)=C1	REAL300000304146	0	35	-2.0	-104.05	329.78	2.57	-101.48
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000304147	1	38	-2.0	-101.97	338.99	3.06	-98.91
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(N)=O)=C1	REAL300000304149	1	35	-2.0	-90.14	331.01	3.05	-87.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000304150	1	35	-2.0	-98.21	335.99	2.83	-95.38
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000304151	0	36	-2.0	-100.25	332.77	2.09	-98.16
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000304153	1	35	-2.0	-95.05	338.49	2.94	-92.11
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1F	REAL300000304155	0	37	-2.0	-92.82	348.01	4.06	-88.76
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1F	REAL300000304157	0	34	-2.0	-106.56	328.47	3.72	-102.84
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000304158	0	32	-2.0	-103.40	308.41	1.91	-101.49
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000304159	1	35	-2.0	-93.38	329.69	2.55	-90.83
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1F	REAL300000304160	1	38	-2.0	-108.04	345.79	3.99	-104.05
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000304161	0	31	-2.0	-98.39	301.73	-0.07	-98.46
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(N)=O)=C1	REAL300000304162	0	36	-2.0	-93.05	332.95	1.67	-91.38
NC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000304163	0	29	-2.0	-89.65	304.90	0.86	-88.79
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1F	REAL300000304164	1	39	-2.0	-95.87	350.87	3.76	-92.11
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1F	REAL300000304165	1	39	-2.0	-97.37	350.18	3.76	-93.61
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000304166	0	35	-2.0	-96.05	326.88	1.86	-94.19
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1	REAL300000304167	1	39	-2.0	-94.58	353.60	3.63	-90.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CC=C1F	REAL300000304168	1	32	-2.0	-111.55	301.68	5.07	-106.48
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC2=C1	REAL300000304169	0	40	-2.0	-112.34	356.76	6.13	-106.21
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304170	0	32	-2.0	-108.63	313.56	5.76	-102.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1	REAL300000304171	1	32	-2.0	-101.47	297.13	5.05	-96.42
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304172	1	32	-2.0	-114.37	297.15	5.04	-109.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC2=C1	REAL300000304173	0	36	-2.0	-119.67	325.29	4.84	-114.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CC=C1Br	REAL300000304174	1	32	-2.0	-109.61	313.39	5.53	-104.08
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1	REAL300000304175	1	36	-2.0	-100.77	328.60	6.34	-94.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1C(=O)[O-]	REAL300000304176	1	35	-2.0	-115.62	313.16	5.58	-110.04
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304177	0	32	-2.0	-109.52	310.22	5.62	-103.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CC=C1Cl	REAL300000304178	1	32	-2.0	-109.99	309.65	5.44	-104.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C(Cl)C=C1Cl	REAL300000304179	0	32	-2.0	-104.94	322.72	5.99	-98.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1C	REAL300000304180	1	38	-2.0	-116.56	329.54	6.35	-110.21
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304181	0	32	-2.0	-111.40	302.62	5.11	-106.29
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1	REAL300000304182	1	38	-2.0	-99.97	340.71	6.63	-93.34
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304183	0	29	-2.0	-108.41	290.33	4.06	-104.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC2=C1	REAL300000304184	1	35	-2.0	-114.64	312.58	5.83	-108.81
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4NC=CC4=C3)C=C2)C1	REAL300000304186	1	43	-2.0	-95.93	373.98	6.11	-89.82
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1C(=O)[O-]	REAL300000304187	0	33	-2.0	-112.72	303.79	4.40	-108.32
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304189	0	32	-2.0	-104.50	306.26	4.73	-99.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CS1	REAL300000304191	0	29	-2.0	-109.90	288.80	4.08	-105.82
COC1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000304192	1	40	-2.0	-114.72	355.47	4.85	-109.87
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304194	1	42	-2.0	-118.80	352.39	7.67	-111.13
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC2=C1	REAL300000304195	1	41	-2.0	-117.00	351.05	7.05	-109.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC2=C1	REAL300000304196	1	38	-2.0	-112.64	327.30	6.77	-105.87
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC2=C1	REAL300000304197	0	39	-2.0	-120.79	347.58	5.61	-115.18
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3NC=CC3=C2)=C1	REAL300000304198	0	35	-2.0	-111.99	328.27	5.57	-106.42
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304198	1	34	-3.0	-190.86	325.56	5.61	-185.25
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304199	1	39	-2.0	-119.25	341.39	6.94	-112.31
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C(C(=O)[O-])O1	REAL300000304200	0	32	-2.0	-107.60	300.15	4.19	-103.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CC2=C1OCCO2	REAL300000304201	1	38	-2.0	-119.12	339.32	4.82	-114.30
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304202	0	36	-2.0	-115.38	326.13	4.14	-111.24
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C4NC=CC4=C3)C=C2C1	REAL300000304203	1	40	-2.0	-100.99	350.78	5.66	-95.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CC(Cl)=C1Cl	REAL300000304204	1	32	-2.0	-103.63	324.82	5.89	-97.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C(Cl)C=C1F	REAL300000304205	0	32	-2.0	-105.91	314.74	5.63	-100.28
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1Cl	REAL300000304206	1	36	-2.0	-97.85	344.24	5.87	-91.98
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1F	REAL300000304208	1	42	-2.0	-98.35	376.90	6.29	-92.06
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC2=C1	REAL300000304209	1	35	-2.0	-105.02	317.85	5.86	-99.16
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1F	REAL300000304211	1	36	-2.0	-98.78	334.44	5.39	-93.39
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C(C(=O)[O-])S1	REAL300000304213	0	32	-2.0	-110.84	306.84	4.94	-105.90
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304214	0	32	-2.0	-103.13	325.36	6.06	-97.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C(Cl)=C1	REAL300000304215	0	32	-2.0	-98.87	310.19	5.60	-93.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C(Br)=C1	REAL300000304216	0	32	-2.0	-98.23	313.55	5.75	-92.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1F	REAL300000304217	1	32	-2.0	-100.74	301.68	5.08	-95.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)S1	REAL300000304218	0	29	-2.0	-103.16	289.42	4.17	-98.99
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304219	1	32	-2.0	-104.97	303.55	5.11	-99.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1F	REAL300000304220	0	35	-2.0	-112.92	322.90	5.75	-107.17
COC1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000304221	0	36	-2.0	-103.53	337.46	5.66	-97.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C(F)=C1	REAL300000304222	0	32	-2.0	-101.08	302.61	5.11	-95.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1Cl	REAL300000304223	1	32	-2.0	-98.90	309.65	5.45	-93.45
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC2=C1	REAL300000304224	1	35	-2.0	-106.75	326.59	6.24	-100.51
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1	REAL300000304225	1	40	-2.0	-97.31	360.89	6.45	-90.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1Br	REAL300000304226	1	32	-2.0	-98.55	313.39	5.54	-93.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CC(F)=C1F	REAL300000304227	1	32	-2.0	-102.89	307.96	5.14	-97.75
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304228	0	34	-2.0	-98.92	325.33	5.71	-93.21
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304229	0	33	-2.0	-113.42	306.86	2.76	-110.66
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3NC=CC3=C2)=C1	REAL300000304229	1	33	-2.0	-108.23	295.88	3.65	-104.58
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1	REAL300000304230	1	35	-2.0	-104.88	319.31	5.83	-99.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CC(Cl)=C1F	REAL300000304231	1	32	-2.0	-104.41	317.85	5.57	-98.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC=CC2=C1	REAL300000304232	1	35	-2.0	-110.68	307.21	5.68	-105.00
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CC(C(=O)[O-])=C1F	REAL300000304233	1	35	-2.0	-112.93	321.98	5.69	-107.24
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CC(C(=O)[O-])=C1C	REAL300000304235	1	38	-2.0	-118.88	334.64	6.24	-112.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CC=C1[N+](=O)[O-]	REAL300000304236	0	34	-2.0	-112.11	323.70	6.14	-105.97
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304237	0	32	-2.0	-102.91	308.90	5.17	-97.74
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1C(=O)[O-]	REAL300000304239	0	35	-2.0	-112.66	318.62	5.64	-107.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1Cl	REAL300000304240	0	35	-2.0	-111.31	328.91	6.18	-105.13
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304241	0	35	-2.0	-119.75	322.18	5.73	-114.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1C(=O)[O-]	REAL300000304242	1	38	-2.0	-116.42	331.11	6.23	-110.19
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC2=C1	REAL300000304244	1	35	-2.0	-103.63	323.93	6.19	-97.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1C(F)(F)F	REAL300000304245	1	35	-2.0	-97.81	327.27	5.85	-91.96
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000304246	1	35	-2.0	-111.86	328.37	6.00	-105.86
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304247	1	32	-2.0	-106.91	318.44	5.66	-101.25
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1C(=O)[O-]	REAL300000304248	0	36	-2.0	-114.04	325.16	5.26	-108.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C(F)C(Cl)=C1F	REAL300000304250	0	32	-2.0	-101.40	322.72	5.60	-95.80
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1C(=O)[O-]	REAL300000304251	1	35	-2.0	-108.78	330.89	6.11	-102.67
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C(C(=O)[O-])S1	REAL300000304252	0	41	-2.0	-110.46	346.59	7.18	-103.28
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1C(=O)[O-]	REAL300000304253	0	36	-2.0	-115.00	337.47	5.67	-109.33
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CC=C1C(=O)[O-]	REAL300000304254	1	35	-2.0	-101.64	313.15	5.59	-96.05
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C([N+](=O)[O-])=C1	REAL300000304255	0	37	-2.0	-107.22	340.41	7.24	-99.98
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC2=C1	REAL300000304256	1	35	-2.0	-111.77	317.10	5.87	-105.90
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1[N+](=O)[O-]	REAL300000304257	0	34	-2.0	-122.00	320.89	6.90	-115.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1F	REAL300000304258	0	32	-2.0	-118.97	300.76	5.07	-113.90
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C1C(=O)[O-]	REAL300000304259	1	35	-2.0	-106.91	322.08	5.72	-101.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=CC2=CC=CC=C21	REAL300000304260	1	38	-2.0	-122.82	338.18	7.16	-115.66
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C1	REAL300000304261	0	31	-2.0	-112.13	293.36	3.17	-108.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC=CC2=C1	REAL300000304262	0	36	-2.0	-105.94	325.35	4.84	-101.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)=C(Cl)O1	REAL300000304263	0	29	-2.0	-101.40	297.29	4.03	-97.37
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4NC=CC4=C3)C=C2)CC1	REAL300000304264	1	39	-2.0	-107.95	343.27	6.93	-101.02
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4NC=CC4=C3)C=C2C1	REAL300000304265	1	39	-2.0	-112.47	342.58	6.93	-105.54
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC=CC3=C2)C=C(C(=O)[O-])O1	REAL300000304266	0	35	-2.0	-107.26	319.28	5.04	-102.22
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000304267	1	38	-2.0	-88.49	342.04	4.36	-84.13
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C	REAL300000304269	0	39	-2.0	-106.22	345.21	6.86	-99.36
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000304270	0	31	-2.0	-102.41	302.02	6.49	-95.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C	REAL300000304271	0	35	-2.0	-113.39	313.74	5.57	-107.82
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000304272	1	31	-2.0	-103.08	301.84	6.26	-96.82
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000304273	1	35	-2.0	-94.47	317.03	7.07	-87.40
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000304275	0	31	-2.0	-103.25	298.67	6.34	-96.91
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000304276	1	31	-2.0	-103.42	298.10	6.16	-97.26
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000304277	0	31	-2.0	-98.86	311.16	6.72	-92.14
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000304279	0	31	-2.0	-105.12	291.07	5.84	-99.28
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000304280	1	37	-2.0	-93.87	329.16	7.35	-86.52
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000304283	1	42	-2.0	-89.83	362.42	6.83	-83.00
CC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000304284	0	28	-2.0	-98.90	295.80	5.56	-93.34
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000304286	0	31	-2.0	-103.17	310.52	6.41	-96.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C)=C1	REAL300000304287	0	31	-2.0	-97.88	294.70	5.46	-92.42
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000304289	1	39	-2.0	-107.95	343.93	5.58	-102.37
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000304291	1	41	-2.0	-112.69	340.84	8.40	-104.29
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000304292	1	40	-2.0	-110.95	339.49	7.78	-103.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C	REAL300000304293	1	37	-2.0	-106.94	315.20	7.48	-99.46
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C	REAL300000304294	0	38	-2.0	-113.69	336.03	6.34	-107.35
CC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000304295	0	34	-2.0	-108.02	312.55	6.28	-101.74
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000304295	1	33	-3.0	-183.00	313.99	6.34	-176.66
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000304296	1	38	-2.0	-113.03	329.84	7.67	-105.36
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000304297	1	37	-2.0	-112.44	327.77	5.54	-106.90
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C)=C1	REAL300000304298	0	35	-2.0	-108.20	314.51	4.86	-103.34
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000304300	1	31	-2.0	-97.08	313.28	6.62	-90.46
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000304301	0	31	-2.0	-99.83	303.19	6.35	-93.48
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000304304	1	41	-2.0	-92.43	365.34	7.02	-85.41
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000304305	1	34	-2.0	-99.06	306.30	6.59	-92.47
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000304307	1	35	-2.0	-92.55	322.88	6.12	-86.43
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C(C(=O)[O-])S1	REAL300000304310	1	31	-2.0	-105.13	294.22	5.66	-99.47
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000304311	0	31	-2.0	-96.87	313.81	6.79	-90.08
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000304312	0	31	-2.0	-92.21	298.63	6.33	-85.88
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000304313	1	31	-2.0	-91.62	301.98	6.48	-85.14
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000304314	1	31	-2.0	-94.29	290.11	5.81	-88.48
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000304315	1	31	-2.0	-98.30	292.01	5.84	-92.46
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000304316	0	34	-2.0	-106.57	311.34	6.48	-100.09
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000304317	0	35	-2.0	-96.91	325.89	6.39	-90.52
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000304318	0	31	-2.0	-94.25	291.04	5.84	-88.41
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000304319	1	31	-2.0	-92.43	298.08	6.17	-86.26
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000304320	1	34	-2.0	-100.87	315.03	6.96	-93.91
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000304321	1	34	-2.0	-97.06	316.42	7.06	-90.00
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000304322	1	39	-2.0	-91.29	349.31	7.18	-84.11
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000304323	1	31	-2.0	-92.00	301.81	6.27	-85.73
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000304324	1	31	-2.0	-96.37	296.42	5.87	-90.50
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000304325	1	33	-2.0	-92.41	313.77	6.44	-85.97
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000304326	0	32	-2.0	-107.72	295.31	3.47	-104.25
CC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000304326	1	32	-2.0	-104.24	289.45	4.35	-99.89
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000304327	1	34	-2.0	-102.66	323.47	6.94	-95.72
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000304328	1	34	-2.0	-98.87	307.77	6.55	-92.32
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000304329	1	31	-2.0	-97.87	306.30	6.30	-91.57
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000304331	1	34	-2.0	-101.42	319.06	7.05	-94.37
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000304335	0	33	-2.0	-105.55	312.14	6.87	-98.68
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000304336	0	31	-2.0	-96.55	297.32	5.89	-90.66
CC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000304337	0	28	-2.0	-94.71	298.17	5.46	-89.25
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000304339	0	34	-2.0	-107.44	310.90	6.46	-100.98
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000304340	0	34	-2.0	-105.04	317.37	6.91	-98.13
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C)=C1	REAL300000304341	0	34	-2.0	-112.14	310.64	6.46	-105.68
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000304343	1	31	-2.0	-99.26	306.54	6.51	-92.75
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000304345	1	34	-2.0	-96.61	311.85	6.96	-89.65
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000304346	1	34	-2.0	-91.32	315.70	6.58	-84.74
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000304347	1	34	-2.0	-105.25	316.82	6.73	-98.52
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000304348	1	31	-2.0	-100.26	306.90	6.39	-93.87
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300000304349	0	34	-2.0	-104.52	320.18	7.04	-97.48
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1C(=O)[O-]	REAL300000304350	1	35	-2.0	-107.19	313.54	5.97	-101.22
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000304352	0	31	-2.0	-94.73	307.69	6.53	-88.20
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000304353	0	31	-2.0	-95.21	311.19	6.33	-88.88
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000304354	0	35	-2.0	-93.91	330.29	6.06	-87.85
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000304355	1	34	-2.0	-102.09	319.36	6.84	-95.25
CC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000304356	1	40	-2.0	-104.38	335.03	7.91	-96.47
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1C(=O)[O-]	REAL300000304357	1	35	-2.0	-108.80	325.92	6.40	-102.40
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000304360	0	36	-2.0	-99.37	328.84	7.96	-91.41
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000304362	0	33	-2.0	-114.25	309.33	7.62	-106.63
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000304363	0	31	-2.0	-111.32	289.23	5.80	-105.52
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000304364	1	34	-2.0	-100.20	310.55	6.45	-93.75
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000304365	1	37	-2.0	-116.14	326.63	7.89	-108.25
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C	REAL300000304366	0	35	-2.0	-99.15	313.79	5.57	-93.58
CC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000304367	0	28	-2.0	-95.44	285.69	4.75	-90.69
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000304369	0	34	-2.0	-98.60	328.94	2.80	-95.80
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000304370	1	38	-2.0	-101.65	331.71	7.65	-94.00
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000304371	1	38	-2.0	-104.20	329.68	7.64	-96.56
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C(C(=O)[O-])O1	REAL300000304372	0	34	-2.0	-101.40	307.71	5.76	-95.64
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C)=C1	REAL300000304373	1	41	-2.0	-89.33	363.45	5.03	-84.30
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C	REAL300000304375	0	42	-2.0	-107.20	366.62	7.53	-99.67
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C(C)=C1	REAL300000304376	1	34	-2.0	-103.50	323.42	7.16	-96.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C	REAL300000304379	0	38	-2.0	-114.48	335.14	6.24	-108.24
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C)=C1	REAL300000304383	0	34	-2.0	-104.23	320.07	7.01	-97.22
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C(C)=C1	REAL300000304385	0	34	-2.0	-99.80	332.57	7.39	-92.41
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1	REAL300000304387	0	34	-2.0	-106.15	312.48	6.50	-99.65
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1	REAL300000304389	0	31	-2.0	-102.78	300.18	5.45	-97.33
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C(C)=C1	REAL300000304393	0	31	-2.0	-99.68	317.21	6.23	-93.45
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000304394	1	35	-2.0	-106.91	313.64	5.78	-101.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C)=C1	REAL300000304396	0	34	-2.0	-98.87	316.13	6.13	-92.74
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1	REAL300000304398	1	31	-2.0	-104.21	298.64	5.47	-98.74
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C	REAL300000304404	0	41	-2.0	-114.74	357.43	7.00	-107.74
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000304405	0	37	-2.0	-108.59	333.96	6.94	-101.65
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C)C=C(C(=O)[O-])O1	REAL300000304407	0	34	-2.0	-102.50	310.01	5.57	-96.93
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000304409	0	38	-2.0	-109.28	335.97	5.53	-103.75
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C(C)=C1	REAL300000304411	1	34	-2.0	-98.02	334.67	7.29	-90.73
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(C)=C1	REAL300000304412	1	34	-2.0	-100.79	324.58	7.03	-93.76
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=C1	REAL300000304416	1	37	-2.0	-100.12	327.71	7.26	-92.86
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C)C=C(C(=O)[O-])S1	REAL300000304421	1	34	-2.0	-105.98	316.69	6.32	-99.66
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C(C)=C1	REAL300000304422	0	34	-2.0	-97.89	335.23	7.45	-90.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=C1	REAL300000304423	1	34	-2.0	-93.16	320.05	7.00	-86.16
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C(C)=C1	REAL300000304424	1	34	-2.0	-92.58	323.40	7.14	-85.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=C1	REAL300000304425	1	34	-2.0	-95.16	311.52	6.48	-88.68
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1	REAL300000304426	0	31	-2.0	-97.56	299.26	5.57	-91.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000304427	1	34	-2.0	-99.31	313.40	6.51	-92.80
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C)=C1	REAL300000304428	0	37	-2.0	-107.61	332.75	7.14	-100.47
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000304429	0	38	-2.0	-97.78	347.30	7.06	-90.72
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300000304430	0	34	-2.0	-95.25	312.46	6.51	-88.74
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C)=C1	REAL300000304432	1	37	-2.0	-101.84	336.45	7.64	-94.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(C)=C1	REAL300000304434	1	42	-2.0	-92.10	370.73	7.85	-84.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C)=C1	REAL300000304436	1	34	-2.0	-97.32	317.81	6.53	-90.79
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C)=C1	REAL300000304437	1	36	-2.0	-93.37	335.18	7.11	-86.26
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1	REAL300000304438	0	35	-2.0	-108.74	316.71	4.14	-104.60
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1	REAL300000304438	1	35	-2.0	-105.06	310.86	5.02	-100.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300000304447	1	36	-2.0	-106.51	333.57	7.54	-98.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=C1	REAL300000304448	0	34	-2.0	-97.57	318.74	6.57	-91.00
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C(C)=C1	REAL300000304449	0	31	-2.0	-95.35	319.57	6.13	-89.22
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C)=C1	REAL300000304451	0	37	-2.0	-108.54	332.31	7.13	-101.41
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C)=C1	REAL300000304452	0	37	-2.0	-106.09	338.79	7.57	-98.52
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000304453	0	37	-2.0	-113.18	332.01	7.13	-106.05
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C)=C1	REAL300000304456	1	37	-2.0	-97.64	333.26	7.62	-90.02
CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000304459	1	34	-2.0	-101.23	328.29	7.05	-94.18
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Br)C(C)=C1	REAL300000304460	1	37	-2.0	-105.58	341.60	7.71	-97.87
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C)C=C1C(=O)[O-]	REAL300000304461	1	38	-2.0	-108.20	335.01	6.66	-101.54
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C(C)=C1	REAL300000304463	0	34	-2.0	-96.20	332.60	7.00	-89.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C(C)=C1	REAL300000304464	0	38	-2.0	-94.82	351.70	6.73	-88.09
CC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300000304466	1	43	-2.0	-105.40	356.43	8.57	-96.83
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C)C=C1C(=O)[O-]	REAL300000304467	1	38	-2.0	-109.82	347.32	7.07	-102.75
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(C)=C1	REAL300000304469	0	39	-2.0	-100.27	350.25	8.63	-91.64
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C)=C1	REAL300000304471	0	36	-2.0	-115.21	330.74	8.29	-106.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000304472	0	34	-2.0	-112.28	310.63	6.46	-105.82
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000304473	1	37	-2.0	-100.20	328.16	7.01	-93.19
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=C1	REAL300000304474	1	40	-2.0	-117.00	348.04	8.56	-108.44
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1	REAL300000304475	0	33	-2.0	-106.40	303.21	4.55	-101.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C	REAL300000304476	0	38	-2.0	-100.12	335.20	6.23	-93.89
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000304477	0	31	-2.0	-96.18	307.10	5.42	-90.76
CC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C(C)=C1	REAL300000304479	0	37	-2.0	-99.47	350.32	3.48	-95.99
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C)C=C(C(=O)[O-])O1	REAL300000304482	0	37	-2.0	-102.37	329.12	6.43	-95.94
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1NC(C)=O	REAL300000304485	1	39	-2.0	-117.96	349.48	3.32	-114.64
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1NC(C)=O	REAL300000304486	0	43	-2.0	-122.92	377.90	3.12	-119.80
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1NC(C)=O	REAL300000304489	0	39	-2.0	-112.91	362.55	3.89	-109.02
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1NC(C)=O	REAL300000304490	1	39	-2.0	-115.24	361.99	3.71	-111.53
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1NC(C)=O	REAL300000304492	0	39	-2.0	-114.98	354.96	3.38	-111.60
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1NC(C)=O	REAL300000304493	1	45	-2.0	-104.30	394.15	4.90	-99.40
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1NC(C)=O	REAL300000304494	0	36	-2.0	-112.22	342.67	2.34	-109.88
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1NC(C)=O	REAL300000304497	1	40	-2.0	-116.50	356.12	2.67	-113.83
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1NC(C)=O	REAL300000304499	0	39	-2.0	-109.37	358.88	2.99	-106.38
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1NC(C)=O	REAL300000304501	1	36	-2.0	-113.59	341.95	2.34	-111.25
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1NC(C)=O	REAL300000304504	0	39	-2.0	-110.93	352.49	2.46	-108.47
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1NC(C)=O	REAL300000304505	0	43	-2.0	-120.85	378.47	2.41	-118.44
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1NC(C)=O	REAL300000304506	1	42	-2.0	-108.43	370.48	4.13	-104.30
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1NC(C)=O	REAL300000304507	1	39	-2.0	-114.18	358.08	3.21	-110.97
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1NC(C)=O	REAL300000304508	1	39	-2.0	-103.52	362.82	3.88	-99.64
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1NC(C)=O	REAL300000304509	1	39	-2.0	-105.20	354.28	3.36	-101.84
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1NC(C)=O	REAL300000304510	0	36	-2.0	-107.95	342.04	2.45	-105.50
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1NC(C)=O	REAL300000304511	1	39	-2.0	-110.11	357.00	3.37	-106.74
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1NC(C)=O	REAL300000304512	0	42	-2.0	-116.67	375.53	4.02	-112.65
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1NC(C)=O	REAL300000304513	0	39	-2.0	-105.80	355.24	3.39	-102.41
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1NC(C)=O	REAL300000304515	0	40	-2.0	-116.26	359.49	1.03	-115.23
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1NC(C)=O	REAL300000304515	1	40	-2.0	-112.90	358.44	1.86	-111.04
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1NC(C)=O	REAL300000304516	1	42	-2.0	-108.94	372.76	4.09	-104.85
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1NC(C)=O	REAL300000304522	0	42	-2.0	-115.97	370.68	3.91	-112.06
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1NC(C)=O	REAL300000304523	0	42	-2.0	-125.91	374.81	4.00	-121.91
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C(NC(C)=O)=C2)C=C1C(=O)[O-]	REAL300000304525	1	43	-2.0	-117.84	377.50	3.53	-114.31
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1NC(C)=O	REAL300000304528	0	39	-2.0	-125.23	353.38	3.35	-121.88
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1NC(C)=O	REAL300000304529	1	42	-2.0	-112.17	374.16	3.99	-108.18
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1NC(C)=O	REAL300000304530	0	38	-2.0	-114.61	346.47	1.37	-113.24
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1NC(C)=O	REAL300000304531	0	43	-2.0	-110.25	377.96	3.12	-107.13
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1NC(C)=O	REAL300000304532	0	36	-2.0	-105.39	349.63	2.31	-103.08
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C(NC(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000304533	0	42	-2.0	-110.58	371.89	3.31	-107.27
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304534	1	37	-2.0	-110.55	340.44	6.47	-104.08
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304535	1	34	-2.0	-111.56	325.01	5.70	-105.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1F	REAL300000304538	0	28	-2.0	-115.27	278.73	5.31	-109.96
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=CC=C1F	REAL300000304539	0	31	-2.0	-104.74	310.17	4.63	-100.11
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CC=C1F	REAL300000304540	0	27	-2.0	-99.62	282.10	3.67	-95.95
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304541	1	29	-2.0	-105.37	291.06	5.44	-99.93
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304542	1	29	-2.0	-101.28	291.04	5.44	-95.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=CC=C1F	REAL300000304543	0	28	-2.0	-105.28	292.45	5.63	-99.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)=CC=C1F	REAL300000304544	0	31	-2.0	-104.50	312.82	6.94	-97.56
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304545	0	29	-2.0	-116.36	288.32	5.32	-111.04
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Br	REAL300000304546	1	31	-2.0	-102.94	309.73	6.22	-96.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=CC=C1F	REAL300000304547	0	28	-2.0	-108.99	286.71	5.74	-103.25
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304550	0	38	-2.0	-105.73	361.88	4.06	-101.67
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304550	1	37	-3.0	-156.78	355.16	4.19	-152.59
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304551	0	31	-2.0	-126.18	309.70	5.50	-120.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=CC=C1F	REAL300000304553	0	32	-2.0	-105.86	319.54	7.13	-98.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000304555	1	33	-2.0	-106.52	317.11	6.35	-100.17
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304556	0	38	-3.0	-173.58	358.30	6.70	-166.88
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304556	1	39	-2.0	-103.70	345.29	6.47	-97.23
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304557	0	31	-2.0	-103.97	286.47	2.87	-101.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=CC=C1F	REAL300000304558	0	25	-2.0	-101.27	283.84	4.78	-96.49
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1Cl	REAL300000304559	0	34	-2.0	-105.44	329.96	7.54	-97.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=CC=C1F	REAL300000304562	1	31	-2.0	-100.74	308.98	6.05	-94.69
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304564	0	31	-2.0	-105.24	305.14	5.48	-99.76
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304565	0	36	-2.0	-115.85	327.96	4.11	-111.74
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304568	0	30	-2.0	-99.44	283.40	4.01	-95.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=CC=C1F	REAL300000304569	1	28	-2.0	-99.94	302.16	6.03	-93.91
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304570	0	31	-2.0	-108.69	301.16	5.61	-103.08
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304570	1	30	-3.0	-176.52	298.69	5.60	-170.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=CC=C1F	REAL300000304571	1	28	-2.0	-99.20	282.94	5.16	-94.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=CC=C1F	REAL300000304572	0	28	-2.0	-104.86	300.08	6.13	-98.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=CC=C1F	REAL300000304573	1	31	-2.0	-104.65	308.95	6.05	-98.60
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304574	1	31	-2.0	-108.97	291.63	5.71	-103.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=CC=C1F	REAL300000304576	0	31	-2.0	-111.78	296.09	6.43	-105.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)=CC=C1F	REAL300000304577	1	31	-2.0	-99.35	322.13	6.46	-92.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CC=C1F	REAL300000304578	1	28	-2.0	-105.07	286.95	5.57	-99.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)=CC=C1F	REAL300000304579	0	31	-2.0	-104.07	322.10	6.60	-97.47
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304580	1	33	-2.0	-107.09	310.70	5.44	-101.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=CC=C1F	REAL300000304583	1	28	-2.0	-99.36	292.83	5.61	-93.75
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304584	1	33	-2.0	-117.74	311.49	5.45	-112.29
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304586	0	34	-2.0	-120.81	315.46	6.44	-114.37
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304587	1	37	-2.0	-103.33	346.86	6.64	-96.69
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=CC=C1F	REAL300000304588	0	28	-2.0	-107.11	298.54	6.07	-101.04
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000304589	1	34	-2.0	-106.23	325.74	5.78	-100.45
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304593	0	34	-3.0	-180.08	326.83	5.40	-174.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304593	1	35	-2.0	-104.44	313.79	5.17	-99.27
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304594	0	35	-2.0	-110.56	336.87	6.77	-103.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=CC=C1F	REAL300000304595	0	28	-2.0	-109.67	293.83	6.36	-103.31
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CC=C1F	REAL300000304596	0	25	-2.0	-101.12	279.21	4.67	-96.45
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304598	0	32	-2.0	-114.71	298.49	4.84	-109.87
CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000304599	0	34	-2.0	-124.47	321.40	6.00	-118.47
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304600	0	39	-2.0	-115.80	354.56	3.71	-112.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=CC=C1F	REAL300000304601	0	28	-2.0	-103.92	288.28	5.23	-98.69
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=CC=C1F	REAL300000304602	1	28	-2.0	-100.16	303.69	6.08	-94.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=CC=C1F	REAL300000304603	0	28	-2.0	-109.62	283.36	5.61	-104.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=CC=C1F	REAL300000304604	1	28	-2.0	-105.02	291.52	5.67	-99.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000304605	1	30	-2.0	-105.78	298.44	5.72	-100.06
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304606	1	33	-2.0	-104.22	313.93	6.48	-97.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=CC=C1F	REAL300000304607	1	30	-2.0	-100.27	310.90	6.09	-94.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1F	REAL300000304608	0	25	-2.0	-106.45	262.15	4.05	-102.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=CC=C1F	REAL300000304610	0	30	-2.0	-120.51	291.31	6.46	-114.05
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304611	0	30	-3.0	-170.44	311.76	6.18	-164.26
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304611	1	31	-2.0	-100.85	314.41	6.15	-94.70
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304612	0	31	-2.0	-122.73	317.68	5.87	-116.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304612	1	30	-3.0	-172.29	311.20	6.00	-166.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=CC=C1F	REAL300000304615	0	28	-2.0	-104.69	282.13	5.18	-99.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC=C1F	REAL300000304616	1	28	-2.0	-105.28	276.63	5.11	-100.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=CC=C1F	REAL300000304617	1	28	-2.0	-99.55	283.04	5.18	-94.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=CC=C1F	REAL300000304622	1	28	-2.0	-102.14	286.96	5.57	-96.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=CC=C1F	REAL300000304623	1	28	-2.0	-102.07	291.53	5.67	-96.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC=C1F	REAL300000304624	1	30	-2.0	-97.55	298.45	5.72	-91.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000304626	0	28	-2.0	-107.46	284.05	4.85	-102.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000304628	0	37	-2.0	-108.28	333.84	6.94	-101.34
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304629	0	32	-2.0	-108.17	315.22	5.35	-102.82
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304630	1	31	-2.0	-104.44	307.00	6.43	-98.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=CC=C1F	REAL300000304631	0	30	-2.0	-111.38	308.05	6.97	-104.41
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304632	0	30	-3.0	-171.94	304.16	5.67	-166.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=CC=C1F	REAL300000304633	0	25	-2.0	-100.18	293.06	5.20	-94.98
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304635	1	33	-2.0	-104.69	308.50	6.31	-98.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=CC=C1F	REAL300000304636	0	28	-2.0	-107.41	282.13	5.18	-102.23
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304637	0	37	-2.0	-106.94	348.98	7.06	-99.88
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304637	1	36	-3.0	-161.27	342.27	7.20	-154.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=CC=C1F	REAL300000304639	1	32	-2.0	-104.50	305.97	1.86	-102.64
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304641	1	32	-2.0	-106.21	310.44	6.07	-100.14
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304646	0	27	-3.0	-169.86	291.87	4.62	-165.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=CC=C1F	REAL300000304647	1	31	-2.0	-104.11	301.97	2.55	-101.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304649	0	34	-2.0	-107.44	315.94	6.40	-101.04
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304650	0	34	-2.0	-107.14	307.84	4.12	-103.02
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304651	1	36	-2.0	-113.52	346.83	1.22	-112.30
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000304652	1	36	-2.0	-104.23	331.22	7.06	-97.17
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304654	1	34	-2.0	-103.70	325.00	5.71	-97.99
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304655	1	35	-2.0	-107.84	326.67	3.33	-104.51
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304656	1	33	-2.0	-107.54	324.48	0.00	-107.54
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304660	0	37	-2.0	-119.61	342.39	6.71	-112.90
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304661	1	32	-2.0	-107.71	304.74	1.83	-105.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC=C1F	REAL300000304664	1	34	-2.0	-110.97	316.17	7.33	-103.64
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=CS1	REAL300000304665	0	31	-2.0	-117.57	309.80	5.35	-112.22
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304668	0	35	-2.0	-110.28	336.49	5.76	-104.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=CC=C1F	REAL300000304670	1	39	-2.0	-109.87	354.45	9.17	-100.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC=C1F	REAL300000304673	0	28	-2.0	-112.66	275.72	5.11	-107.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=C3NC(=O)CC3=C2)=CC=C1F	REAL300000304675	0	33	-2.0	-105.59	325.34	4.04	-101.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=CC=C1F	REAL300000304676	1	33	-2.0	-104.66	312.61	5.55	-99.11
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304677	0	34	-2.0	-120.79	323.08	3.63	-117.16
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=C2N=C1	REAL300000304678	0	36	-2.0	-124.06	331.59	6.32	-117.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000304680	1	31	-2.0	-109.30	304.77	6.27	-103.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=CC=C1F	REAL300000304681	0	32	-2.0	-110.80	314.98	5.32	-105.48
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304683	1	33	-2.0	-112.89	324.46	-0.00	-112.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000304685	0	34	-2.0	-116.85	318.23	5.72	-111.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)=CC=C1F	REAL300000304686	1	34	-2.0	-104.75	326.77	2.04	-102.71
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000304687	1	35	-2.0	-102.84	335.86	4.30	-98.54
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000304689	1	34	-2.0	-105.53	324.34	5.00	-100.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=CC=C1F	REAL300000304690	1	32	-2.0	-102.98	316.21	4.84	-98.14
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304691	1	34	-2.0	-110.71	330.94	2.57	-108.14
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304693	1	36	-2.0	-106.73	346.85	1.22	-105.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=CC=C1F	REAL300000304694	1	38	-2.0	-111.43	340.09	8.92	-102.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=CC=C1F	REAL300000304695	0	28	-2.0	-102.12	289.75	5.68	-96.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=CC=C1F	REAL300000304696	0	40	-2.0	-115.12	356.15	4.38	-110.74
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000304697	0	35	-2.0	-120.09	331.79	4.00	-116.09
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304698	1	34	-2.0	-116.93	330.92	2.57	-114.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)=CC=C1F	REAL300000304699	1	37	-2.0	-109.35	344.44	7.75	-101.60
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1OC	REAL300000304701	0	36	-2.0	-108.69	334.43	4.32	-104.37
CN1C=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000304703	0	32	-2.0	-122.21	311.98	4.83	-117.38
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000304703	1	31	-3.0	-174.47	305.33	4.96	-169.51
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1Cl	REAL300000304704	0	28	-2.0	-114.79	287.69	4.61	-110.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(Br)=C1	REAL300000304705	1	31	-2.0	-108.67	308.12	6.40	-102.27
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000304706	0	33	-2.0	-106.56	312.17	1.20	-105.36
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304707	0	35	-2.0	-108.02	324.69	4.44	-103.58
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304708	0	34	-2.0	-110.17	338.08	6.26	-103.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000304711	1	32	-2.0	-104.73	305.93	4.42	-100.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000304714	1	35	-2.0	-103.54	320.80	2.50	-101.04
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304716	1	33	-2.0	-97.16	313.93	6.49	-90.67
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CN1C	REAL300000304718	0	36	-2.0	-107.05	334.10	2.69	-104.36
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304719	1	31	-2.0	-104.45	302.43	6.33	-98.12
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=N2)C=C1	REAL300000304721	0	38	-2.0	-106.84	352.19	6.83	-100.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)=CC=C1F	REAL300000304725	1	36	-2.0	-107.76	333.76	4.90	-102.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304726	0	30	-3.0	-165.43	307.81	5.29	-160.14
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000304727	1	29	-2.0	-98.62	306.43	5.85	-92.77
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000304728	1	29	-2.0	-99.29	306.47	5.85	-93.44
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000304729	0	37	-2.0	-106.66	332.72	6.91	-99.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=CC=C1F	REAL300000304730	1	32	-2.0	-112.94	308.58	5.42	-107.52
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CN=C12	REAL300000304731	1	37	-2.0	-110.58	335.52	4.84	-105.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=CC=C1F	REAL300000304733	0	28	-2.0	-109.96	291.90	5.61	-104.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Br)=CC=C1F	REAL300000304734	1	28	-2.0	-101.59	293.10	5.81	-95.78
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304736	0	34	-2.0	-102.91	326.70	5.50	-97.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000304737	1	38	-2.0	-113.71	339.59	6.71	-107.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000304738	1	31	-2.0	-105.54	296.94	5.76	-99.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)=CC=C1F	REAL300000304740	0	28	-2.0	-101.99	310.57	6.86	-95.13
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304741	0	31	-2.0	-112.74	297.14	5.77	-106.97
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304742	1	31	-2.0	-104.53	292.11	5.88	-98.65
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304744	0	33	-2.0	-119.72	308.57	7.39	-112.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)=CC=C1F	REAL300000304745	0	36	-2.0	-109.72	335.53	4.30	-105.42
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000304746	0	32	-2.0	-103.89	316.81	6.83	-97.06
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304747	1	38	-2.0	-118.85	342.37	4.90	-113.95
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304749	0	36	-2.0	-124.10	331.49	6.33	-117.77
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CS1	REAL300000304752	0	28	-2.0	-107.45	292.81	4.64	-102.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CS1	REAL300000304752	1	27	-3.0	-171.82	290.34	4.64	-167.18
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1Cl	REAL300000304753	0	31	-2.0	-110.26	312.59	6.94	-103.32
COC1=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000304754	0	39	-2.0	-113.26	359.46	5.42	-107.84
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304755	1	37	-2.0	-116.03	346.41	3.33	-112.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=CC=C1F	REAL300000304756	0	30	-2.0	-97.93	311.57	6.28	-91.65
COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000304757	0	35	-2.0	-119.75	332.69	5.54	-114.21
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CN=C2C=C1	REAL300000304758	1	36	-2.0	-109.29	320.19	6.41	-102.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=CC=C1F	REAL300000304760	0	25	-2.0	-105.24	282.53	4.60	-100.64
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304762	1	41	-2.0	-115.77	373.94	4.83	-110.94
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=CC=C1F	REAL300000304763	0	30	-2.0	-113.55	297.70	6.54	-107.01
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304764	0	42	-2.0	-116.22	380.66	3.84	-112.38
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304765	0	41	-2.0	-108.20	356.96	8.19	-100.01
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304766	0	40	-2.0	-106.71	354.69	7.63	-99.08
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304766	1	39	-3.0	-177.85	352.59	7.62	-170.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1F	REAL300000304767	1	38	-2.0	-108.72	344.41	8.46	-100.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=CC=C1F	REAL300000304768	0	30	-2.0	-117.02	303.64	6.43	-110.59
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304769	0	37	-2.0	-117.75	351.17	3.51	-114.24
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304770	1	39	-2.0	-117.47	360.97	4.71	-112.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)=CC=C1F	REAL300000304773	1	39	-2.0	-117.95	358.27	5.02	-112.93
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304774	0	32	-2.0	-109.56	301.41	3.40	-106.16
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304774	1	32	-2.0	-101.26	290.44	4.29	-96.97
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304775	0	37	-2.0	-106.70	333.57	7.25	-99.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=CC=C1F	REAL300000304776	0	31	-2.0	-111.99	309.74	5.95	-106.04
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1)=C2	REAL300000304777	1	41	-2.0	-114.53	370.01	8.88	-105.65
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304778	0	37	-3.0	-184.59	349.12	6.16	-178.43
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304778	1	38	-2.0	-107.96	336.18	5.96	-102.00
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000304779	0	33	-3.0	-180.95	329.57	6.17	-174.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000304779	1	32	-4.0	-259.41	327.10	6.17	-253.24
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000304780	0	31	-2.0	-101.78	318.10	4.81	-96.97
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304781	0	38	-2.0	-108.96	343.99	7.51	-101.45
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304782	1	34	-2.0	-109.32	335.32	2.58	-106.74
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000304783	0	36	-2.0	-120.58	327.87	7.66	-112.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=CC=C1F	REAL300000304784	1	32	-2.0	-101.47	307.98	5.43	-96.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=CC=C1F	REAL300000304785	0	28	-2.0	-105.50	285.14	5.38	-100.12
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000304786	0	38	-2.0	-114.50	366.04	3.98	-110.52
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000304787	0	38	-2.0	-106.24	363.72	4.03	-102.21
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000304788	0	30	-3.0	-167.15	301.69	4.75	-162.40
CC1=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000304788	1	31	-2.0	-105.61	288.34	3.99	-101.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=CC=C1F	REAL300000304789	0	31	-2.0	-127.52	298.42	4.24	-123.28
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304790	0	34	-2.0	-112.57	330.49	5.75	-106.82
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304791	0	38	-2.0	-116.39	341.73	6.42	-109.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=CC=C1F	REAL300000304792	1	31	-2.0	-98.85	314.55	6.10	-92.75
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304793	1	44	-2.0	-106.70	381.45	6.77	-99.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=CC=C1F	REAL300000304795	0	30	-2.0	-119.83	303.90	7.20	-112.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=CC=C1F	REAL300000304796	1	33	-2.0	-118.18	318.50	5.23	-112.95
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000304797	1	41	-2.0	-113.21	361.45	7.63	-105.58
O=C([O-])C1=CC(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304798	0	37	-2.0	-113.47	343.33	5.38	-108.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)=CC=C1F	REAL300000304799	1	32	-2.0	-102.15	326.62	6.51	-95.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=CC=C1F	REAL300000304800	0	27	-2.0	-99.91	286.56	3.85	-96.06
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304803	0	34	-2.0	-115.75	336.43	2.63	-113.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=CC=C1F	REAL300000304804	0	30	-2.0	-123.21	296.23	6.66	-116.55
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304805	0	34	-3.0	-179.30	327.67	4.69	-174.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304805	1	35	-2.0	-115.31	330.43	4.65	-110.66
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=CC=C1F	REAL300000304806	0	39	-2.0	-105.17	354.80	6.22	-98.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=CC=C1F	REAL300000304807	0	35	-2.0	-107.14	330.79	6.16	-100.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=CC=C1F	REAL300000304808	0	38	-2.0	-106.61	356.20	6.60	-100.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1F	REAL300000304809	0	30	-3.0	-166.69	316.28	6.20	-160.49
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1F	REAL300000304809	1	31	-2.0	-101.57	318.95	6.18	-95.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC=C1F	REAL300000304810	0	27	-2.0	-99.76	271.64	3.32	-96.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)=CC=C1F	REAL300000304811	0	28	-2.0	-107.24	297.02	5.73	-101.51
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000304813	1	38	-2.0	-105.92	350.47	5.96	-99.96
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304814	0	31	-2.0	-106.94	318.27	4.70	-102.24
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304815	1	36	-2.0	-102.99	328.68	7.43	-95.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=CC=C1F	REAL300000304816	1	33	-2.0	-109.64	306.38	5.47	-104.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)=CC=C1F	REAL300000304817	0	34	-2.0	-111.14	343.47	5.75	-105.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=CC=C1F	REAL300000304818	0	27	-2.0	-101.45	295.37	4.17	-97.28
CC1=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1OCC(=O)[O-]	REAL300000304819	0	38	-2.0	-110.88	356.54	6.46	-104.42
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C12	REAL300000304821	1	36	-2.0	-103.50	336.54	4.77	-98.73
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C12	REAL300000304822	0	32	-2.0	-99.69	309.98	2.02	-97.67
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000304823	0	28	-2.0	-98.37	286.18	3.57	-94.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=CC=C1F	REAL300000304825	0	28	-2.0	-111.02	282.01	5.17	-105.85
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000304826	0	32	-2.0	-110.69	308.21	4.62	-106.07
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304827	0	34	-2.0	-115.33	332.18	6.96	-108.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=CC=C1F	REAL300000304828	0	30	-2.0	-113.55	308.03	6.98	-106.57
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304829	0	34	-2.0	-102.48	322.03	6.40	-96.08
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304829	1	33	-3.0	-165.52	319.39	6.42	-159.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=CC=C1F	REAL300000304830	0	34	-2.0	-113.72	313.36	4.68	-109.04
CC1=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CN1C	REAL300000304831	0	31	-2.0	-117.00	293.76	3.94	-113.06
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000304832	0	35	-2.0	-109.74	342.45	5.82	-103.92
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000304832	1	34	-3.0	-160.42	335.98	5.95	-154.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=CC=C1F	REAL300000304833	0	32	-2.0	-110.53	308.24	5.10	-105.43
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304834	1	37	-2.0	-111.24	346.88	6.63	-104.61
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000304835	0	31	-2.0	-105.87	296.30	3.60	-102.27
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304836	1	40	-2.0	-103.03	368.36	7.43	-95.60
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=CN=C21	REAL300000304837	0	36	-2.0	-100.60	339.57	2.51	-98.09
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304838	1	35	-2.0	-109.75	325.29	4.77	-104.98
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304839	0	34	-2.0	-115.33	321.85	6.51	-108.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=CC=C1F	REAL300000304840	0	36	-2.0	-116.52	333.22	5.59	-110.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=CC=C1F	REAL300000304841	0	31	-2.0	-106.51	314.46	6.10	-100.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)=CC=C1F	REAL300000304842	0	31	-2.0	-103.88	302.49	6.50	-97.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=CC=C1F	REAL300000304843	0	28	-2.0	-107.84	302.30	5.15	-102.69
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000304844	0	38	-2.0	-120.48	354.55	6.45	-114.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=CC=C1F	REAL300000304845	1	33	-2.0	-106.36	306.21	4.34	-102.02
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304846	1	37	-2.0	-101.59	351.43	6.65	-94.94
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=CC=C1F	REAL300000304847	0	28	-2.0	-104.76	289.75	5.68	-99.08
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)=CO1	REAL300000304848	1	37	-2.0	-111.10	346.62	4.12	-106.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=CC=C1F	REAL300000304851	1	32	-2.0	-102.28	314.52	1.90	-100.38
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304852	1	32	-2.0	-110.09	299.73	4.35	-105.74
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000304854	0	34	-2.0	-111.93	331.55	3.28	-108.65
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000304854	1	33	-3.0	-170.65	329.84	2.07	-168.58
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000304860	0	34	-2.0	-101.95	335.02	5.79	-96.16
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000304861	0	31	-2.0	-112.23	297.14	5.78	-106.45
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000304862	0	32	-2.0	-103.81	328.84	5.47	-98.34
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300000304864	0	31	-2.0	-102.54	309.77	3.83	-98.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=CC=C1F	REAL300000304865	0	33	-2.0	-124.02	310.14	5.68	-118.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=CC=C1F	REAL300000304866	0	34	-2.0	-114.64	337.07	5.68	-108.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=CC=C1F	REAL300000304867	0	28	-2.0	-99.88	288.41	5.23	-94.65
CC1=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000304868	0	31	-2.0	-107.18	310.23	5.47	-101.71
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000304868	1	30	-3.0	-171.01	307.28	5.50	-165.51
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000304869	1	37	-2.0	-110.75	334.55	6.36	-104.39
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304870	0	32	-2.0	-109.93	312.83	4.91	-105.02
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000304871	0	30	-2.0	-100.25	300.87	4.26	-95.99
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304872	0	34	-2.0	-117.12	329.31	2.58	-114.54
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304874	1	37	-2.0	-115.10	347.19	6.49	-108.61
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000304877	1	39	-2.0	-128.85	349.40	6.10	-122.75
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304878	0	40	-2.0	-107.83	349.42	5.66	-102.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)SC=C1	REAL300000304879	0	28	-2.0	-108.91	280.99	4.68	-104.23
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304880	1	34	-2.0	-105.31	341.74	6.21	-99.10
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000304881	0	37	-2.0	-107.30	329.66	4.99	-102.31
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000304882	1	37	-2.0	-103.93	341.02	6.24	-97.69
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000304883	1	33	-2.0	-98.04	314.44	6.23	-91.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=CC=C1F	REAL300000304885	1	36	-2.0	-119.46	329.80	3.50	-115.96
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304886	1	37	-2.0	-123.82	355.26	3.25	-120.57
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304887	1	32	-2.0	-104.39	306.49	6.21	-98.18
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304888	1	35	-2.0	-115.96	331.43	4.05	-111.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000304889	0	33	-2.0	-105.61	322.60	6.41	-99.20
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304890	1	40	-2.0	-108.05	323.63	7.93	-100.12
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000304893	1	42	-2.0	-130.25	363.20	6.70	-123.55
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304894	0	32	-2.0	-109.74	307.90	5.51	-104.23
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304895	1	32	-2.0	-101.02	306.47	6.21	-94.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=CC=C1F	REAL300000304898	1	37	-2.0	-114.90	338.91	5.12	-109.78
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000304900	0	29	-2.0	-104.37	296.52	5.50	-98.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)=CC=C1F	REAL300000304901	0	31	-2.0	-111.94	308.66	7.08	-104.86
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C2O1	REAL300000304902	1	33	-2.0	-106.41	313.87	2.71	-103.70
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000304903	0	34	-2.0	-105.77	314.98	4.13	-101.64
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304904	0	33	-2.0	-113.70	309.32	1.39	-112.31
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000304906	0	34	-2.0	-110.94	329.58	3.80	-107.14
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CN1	REAL300000304907	0	34	-2.0	-116.43	314.19	3.48	-112.95
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000304908	0	31	-2.0	-111.78	309.51	6.82	-104.96
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=N1	REAL300000304910	0	37	-2.0	-110.31	344.78	6.27	-104.04
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304912	0	32	-2.0	-106.65	327.04	6.32	-100.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=CC=C1F	REAL300000304913	1	28	-2.0	-94.43	289.22	5.23	-89.20
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304914	1	39	-2.0	-105.88	352.67	6.88	-99.00
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CN1C	REAL300000304916	0	35	-2.0	-111.18	331.39	5.14	-106.04
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000304918	0	31	-2.0	-93.40	312.24	5.72	-87.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000304918	1	30	-3.0	-160.96	311.74	6.17	-154.79
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000304919	0	31	-2.0	-104.71	309.68	5.51	-99.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000304919	1	30	-3.0	-161.90	303.21	5.64	-156.26
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304920	1	36	-2.0	-101.34	336.70	4.45	-96.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=CC=C1F	REAL300000304921	0	35	-2.0	-110.27	335.18	6.32	-103.95
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000304922	0	28	-2.0	-106.18	304.41	5.41	-100.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)=CC=C1F	REAL300000304923	1	28	-2.0	-99.57	297.25	5.71	-93.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2)=CC=C1F	REAL300000304926	1	28	-2.0	-99.51	297.24	5.70	-93.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(Cl)=C1Cl	REAL300000304927	0	32	-2.0	-106.81	327.29	5.42	-101.39
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000304928	0	39	-2.0	-111.71	357.96	5.79	-105.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=CC=C1F	REAL300000304929	0	31	-2.0	-102.15	315.04	3.11	-99.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000304930	0	27	-3.0	-164.20	290.96	4.73	-159.47
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304931	0	37	-2.0	-117.61	334.93	6.30	-111.31
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304932	0	31	-2.0	-103.45	307.56	5.68	-97.77
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304932	1	30	-3.0	-166.96	305.09	5.67	-161.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1F	REAL300000304933	0	33	-3.0	-173.47	324.46	6.31	-167.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1F	REAL300000304933	1	34	-2.0	-101.27	327.19	6.27	-95.00
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304934	1	42	-2.0	-105.30	363.04	7.10	-98.20
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CN1	REAL300000304935	0	32	-2.0	-108.79	313.62	3.39	-105.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000304936	0	30	-3.0	-162.62	304.15	5.68	-156.94
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000304936	1	31	-2.0	-104.12	297.31	5.25	-98.87
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000304937	0	31	-2.0	-102.07	317.65	5.88	-96.19
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304938	1	31	-2.0	-104.78	291.03	5.85	-98.93
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000304940	1	37	-2.0	-105.80	341.03	6.23	-99.57
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CS1	REAL300000304941	0	31	-2.0	-107.34	317.49	4.72	-102.62
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304942	1	34	-2.0	-101.49	329.57	5.72	-95.77
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000304943	0	30	-2.0	-105.15	296.74	3.53	-101.62
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304944	1	32	-2.0	-115.08	312.48	6.22	-108.86
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304945	1	36	-2.0	-97.59	328.58	7.38	-90.21
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000304946	1	36	-2.0	-108.32	339.45	1.82	-106.50
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304949	0	34	-2.0	-102.77	330.73	6.79	-95.98
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304949	1	33	-3.0	-167.27	328.13	6.81	-160.46
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304950	1	34	-2.0	-103.90	324.44	6.81	-97.09
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304951	0	28	-2.0	-102.02	303.42	5.37	-96.65
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304952	1	34	-2.0	-109.18	313.11	6.48	-102.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=CC=C1F	REAL300000304953	0	31	-2.0	-105.10	325.86	6.98	-98.12
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304954	1	31	-2.0	-105.21	298.05	5.78	-99.43
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304956	0	39	-2.0	-107.93	368.90	6.89	-101.04
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304956	1	38	-3.0	-159.30	362.43	7.02	-152.28
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304957	0	34	-2.0	-103.53	328.11	4.49	-99.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=CC=C1F	REAL300000304958	1	34	-2.0	-104.83	321.60	4.10	-100.73
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304959	0	31	-2.0	-107.94	311.98	5.70	-102.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000304959	1	30	-3.0	-164.78	309.51	5.70	-159.08
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304960	0	33	-2.0	-100.94	329.35	6.28	-94.66
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304960	1	32	-3.0	-161.19	326.88	6.27	-154.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=CC=C1F	REAL300000304961	0	31	-2.0	-109.82	323.56	6.92	-102.90
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304962	0	38	-2.0	-116.53	353.16	5.50	-111.03
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304963	1	40	-2.0	-111.09	357.69	7.04	-104.05
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000304965	0	31	-2.0	-104.69	302.44	5.81	-98.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=CC=C1F	REAL300000304966	0	34	-2.0	-116.05	322.00	8.10	-107.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=CC=C1F	REAL300000304967	1	34	-2.0	-116.29	311.27	7.36	-108.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=CC=C1F	REAL300000304968	0	30	-2.0	-105.97	302.22	4.53	-101.44
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000304969	0	33	-2.0	-103.50	330.24	6.90	-96.60
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000304970	1	32	-2.0	-98.37	326.86	6.23	-92.14
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000304971	0	35	-2.0	-107.80	348.07	4.12	-103.68
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304972	1	31	-2.0	-104.50	303.81	6.34	-98.16
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304973	0	31	-3.0	-172.80	308.40	3.32	-169.48
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304973	1	31	-3.0	-173.82	297.42	4.20	-169.62
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304975	0	33	-2.0	-110.06	334.07	4.44	-105.62
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304976	0	34	-2.0	-106.45	327.58	6.26	-100.19
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000304976	1	33	-3.0	-165.27	320.87	6.39	-158.88
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000304977	1	35	-2.0	-108.20	340.12	4.57	-103.63
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300000304978	0	34	-2.0	-102.66	331.63	4.76	-97.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000304979	0	30	-2.0	-98.10	304.84	5.79	-92.31
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304980	0	33	-2.0	-117.01	326.05	6.10	-110.91
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000304981	1	40	-2.0	-107.52	360.95	6.58	-100.94
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304982	1	33	-2.0	-99.18	325.96	6.88	-92.30
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304983	0	31	-2.0	-117.89	312.96	5.74	-112.15
COC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)SC=C1	REAL300000304984	0	29	-2.0	-114.96	292.39	3.32	-111.64
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304985	1	37	-2.0	-116.10	352.39	3.47	-112.63
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300000304986	0	34	-2.0	-106.31	323.97	6.33	-99.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CC=C1F	REAL300000304987	0	31	-2.0	-110.18	299.98	5.44	-104.74
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000304988	0	36	-2.0	-125.81	331.73	6.28	-119.53
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC(Cl)=CC=C2S1	REAL300000304989	0	34	-2.0	-108.37	336.62	7.96	-100.41
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C(Br)S1	REAL300000304991	1	28	-2.0	-100.85	300.13	5.55	-95.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=CC=C1F	REAL300000304992	1	34	-2.0	-108.15	325.64	7.78	-100.37
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC(F)=C1F	REAL300000304993	1	34	-2.0	-96.94	335.84	5.79	-91.15
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)SC2=CC=CC(F)=C12	REAL300000304994	0	34	-2.0	-111.22	330.19	7.08	-104.14
N#CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000304995	1	29	-2.0	-99.58	312.35	6.05	-93.53
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1F	REAL300000304996	0	33	-2.0	-105.62	324.27	6.42	-99.20
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000304997	0	30	-2.0	-113.28	303.47	3.79	-109.49
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=NC2=C1Cl	REAL300000304999	0	33	-2.0	-99.07	331.22	5.01	-94.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)=CC=C1F	REAL300000305000	0	28	-2.0	-111.99	289.86	5.97	-106.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)=CC=C1F	REAL300000305001	1	30	-2.0	-101.05	318.50	4.96	-96.09
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305002	0	28	-2.0	-99.04	286.25	3.96	-95.08
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)N=C1Cl	REAL300000305003	0	28	-2.0	-113.96	290.57	3.86	-110.10
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305004	1	36	-2.0	-111.02	329.21	3.65	-107.37
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000305005	0	31	-2.0	-107.89	321.86	6.14	-101.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000305005	1	30	-3.0	-166.47	319.40	6.14	-160.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=CC=C1F	REAL300000305006	0	29	-2.0	-113.63	286.06	3.78	-109.85
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000305007	0	36	-2.0	-122.43	321.30	7.84	-114.59
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)S2)=CS1	REAL300000305008	0	34	-2.0	-107.53	349.67	5.60	-101.93
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305009	0	29	-2.0	-99.62	292.44	2.88	-96.74
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000305010	0	27	-2.0	-104.48	278.75	2.87	-101.61
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000305011	1	34	-2.0	-101.39	337.55	6.09	-95.30
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305012	1	33	-2.0	-98.40	318.02	6.53	-91.87
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305013	0	34	-2.0	-111.47	310.13	6.26	-105.21
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=CC=C1F	REAL300000305015	1	35	-2.0	-125.33	334.83	2.92	-122.41
CC1=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000305016	0	34	-2.0	-110.99	325.99	6.26	-104.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305017	0	34	-2.0	-107.52	315.96	6.40	-101.12
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305018	0	34	-2.0	-116.67	329.14	6.14	-110.53
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000305020	0	29	-2.0	-105.03	299.52	5.73	-99.30
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C(C)N1	REAL300000305021	0	41	-2.0	-108.05	366.20	5.73	-102.32
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000305022	0	31	-2.0	-107.17	302.41	5.82	-101.35
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000305023	0	34	-2.0	-98.24	325.75	5.78	-92.46
CC1=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000305024	0	37	-2.0	-111.98	334.04	6.67	-105.31
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=CC=C1F	REAL300000305025	1	34	-2.0	-117.51	327.96	7.87	-109.64
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000305026	0	34	-2.0	-106.31	335.33	2.58	-103.73
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300000305027	0	33	-2.0	-105.60	331.86	6.56	-99.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300000305027	1	32	-3.0	-174.08	325.24	6.69	-167.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=CC=C1F	REAL300000305028	0	31	-2.0	-105.06	315.56	6.54	-98.52
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305030	0	30	-3.0	-163.85	310.44	5.73	-158.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1F	REAL300000305031	1	33	-2.0	-99.07	323.29	6.37	-92.70
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305032	0	34	-2.0	-112.86	332.18	6.95	-105.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=CC=C1F	REAL300000305033	0	27	-2.0	-106.03	289.22	4.48	-101.55
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305034	0	34	-2.0	-116.71	315.83	5.43	-111.28
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000305035	0	33	-2.0	-100.42	320.96	3.87	-96.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=CC=C1F	REAL300000305036	0	27	-2.0	-98.22	295.65	4.22	-94.00
CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000305037	0	37	-2.0	-116.65	334.46	7.01	-109.64
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000305038	0	33	-3.0	-174.41	324.00	6.30	-168.11
CC1=CC(F)=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000305038	1	34	-2.0	-100.11	322.71	6.17	-93.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1Cl	REAL300000305039	0	33	-3.0	-172.30	330.43	6.74	-165.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1Cl	REAL300000305039	1	34	-2.0	-101.55	333.11	6.72	-94.83
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305040	0	33	-3.0	-184.71	323.72	6.30	-178.41
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305040	1	34	-2.0	-118.46	326.42	6.29	-112.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=CC=C1F	REAL300000305041	0	28	-2.0	-96.64	297.46	5.52	-91.12
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305042	1	36	-2.0	-117.89	333.30	6.31	-111.58
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000305043	0	35	-2.0	-104.14	329.98	2.65	-101.49
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300000305044	0	33	-2.0	-114.61	320.54	5.88	-108.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)=CC=C1F	REAL300000305045	0	28	-2.0	-104.06	293.11	5.81	-98.25
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1Br	REAL300000305046	0	31	-2.0	-109.87	304.93	6.31	-103.56
CCC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000305047	0	37	-2.0	-108.15	335.09	6.80	-101.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=CC=C1F	REAL300000305048	0	39	-2.0	-105.72	347.38	3.58	-102.14
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1C#N	REAL300000305051	0	32	-2.0	-117.19	307.48	5.83	-111.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)=CC=C1F	REAL300000305052	0	31	-2.0	-101.26	322.10	6.59	-94.67
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305053	0	34	-2.0	-101.51	320.98	5.56	-95.95
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000305054	0	37	-2.0	-107.78	343.21	6.69	-101.09
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305055	0	34	-2.0	-116.70	317.71	5.79	-110.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=CC=C1F	REAL300000305056	0	36	-2.0	-104.24	328.28	2.80	-101.44
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305058	0	36	-2.0	-107.23	343.65	7.11	-100.12
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1F	REAL300000305059	0	31	-2.0	-113.63	296.02	5.76	-107.87
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000305060	1	34	-2.0	-102.02	319.27	2.66	-99.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=CC=C1F	REAL300000305061	0	35	-2.0	-117.58	316.01	5.08	-112.50
COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1CC(=O)[O-]	REAL300000305062	0	38	-2.0	-123.80	355.63	5.61	-118.19
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000305063	1	35	-2.0	-108.70	325.30	4.78	-103.92
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305064	0	33	-2.0	-110.02	309.49	2.03	-107.99
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1Cl	REAL300000305065	0	31	-2.0	-110.47	302.11	6.19	-104.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C(C)O1	REAL300000305067	0	31	-2.0	-105.63	293.17	4.62	-101.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)=CC=C1F	REAL300000305068	0	34	-2.0	-113.98	316.48	2.72	-111.26
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)CC1	REAL300000305070	1	41	-2.0	-108.03	368.56	7.68	-100.35
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305071	1	37	-2.0	-104.55	353.27	6.69	-97.86
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305072	1	35	-2.0	-107.12	316.82	5.07	-102.05
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C(C(=O)OC)O1	REAL300000305073	0	37	-2.0	-101.92	347.22	5.45	-96.47
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305075	0	31	-2.0	-108.22	303.18	5.43	-102.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=CC=C1F	REAL300000305076	1	31	-2.0	-105.30	296.27	3.71	-101.59
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000305077	0	36	-2.0	-124.10	323.85	6.80	-117.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=CC=C1F	REAL300000305078	0	34	-2.0	-116.02	319.51	7.05	-108.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)=CC=C1F	REAL300000305079	1	34	-2.0	-99.83	338.84	3.13	-96.70
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305080	0	34	-2.0	-112.20	321.86	6.51	-105.69
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=CC=C1F	REAL300000305081	0	30	-2.0	-96.06	302.97	5.73	-90.33
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305082	0	34	-2.0	-106.20	327.22	6.76	-99.44
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305082	1	33	-3.0	-167.85	324.95	6.78	-161.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=CC=C1F	REAL300000305083	1	28	-2.0	-99.89	293.36	5.63	-94.26
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C(C)O1	REAL300000305084	0	34	-2.0	-102.12	328.06	4.60	-97.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=CC=C1F	REAL300000305085	0	27	-2.0	-99.94	281.99	3.74	-96.20
CC1=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1Cl	REAL300000305086	0	34	-2.0	-107.85	332.38	6.57	-101.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1Cl	REAL300000305086	1	33	-3.0	-174.12	329.93	6.56	-167.56
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)N=C1C	REAL300000305087	0	34	-2.0	-118.82	316.00	4.82	-114.00
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305088	0	31	-2.0	-109.10	308.12	6.40	-102.70
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305089	0	31	-2.0	-109.81	304.77	6.27	-103.54
CCN1C=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000305090	0	35	-2.0	-123.38	333.34	5.68	-117.70
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000305090	1	34	-3.0	-175.91	326.71	5.82	-170.09
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305091	0	31	-2.0	-106.60	310.11	3.79	-102.81
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305092	0	40	-2.0	-108.77	346.37	5.62	-103.15
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CN1C	REAL300000305093	0	38	-2.0	-110.75	353.25	6.07	-104.68
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305094	1	36	-2.0	-103.84	332.25	7.11	-96.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=CC=C1F	REAL300000305095	0	28	-2.0	-112.52	286.27	5.83	-106.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000305096	0	30	-2.0	-107.87	300.12	4.36	-103.51
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305097	0	33	-2.0	-106.88	319.27	5.23	-101.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)=CC=C1F	REAL300000305098	0	35	-2.0	-109.01	335.27	6.24	-102.77
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000305099	1	32	-2.0	-104.70	325.43	6.52	-98.18
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000305100	0	30	-2.0	-103.98	300.24	3.63	-100.35
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C12	REAL300000305101	0	35	-2.0	-99.03	331.46	2.76	-96.27
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000305102	0	30	-2.0	-102.84	309.51	5.42	-97.42
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000305104	0	31	-2.0	-98.56	311.07	3.01	-95.55
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000305105	1	37	-2.0	-105.44	346.15	6.01	-99.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)=CC=C1F	REAL300000305106	1	40	-2.0	-106.97	354.60	6.50	-100.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=CC=C1F	REAL300000305107	0	30	-2.0	-98.27	304.94	4.27	-94.00
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305108	1	34	-2.0	-104.95	331.41	5.77	-99.18
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C(C)=C1CC(=O)[O-]	REAL300000305109	0	43	-2.0	-118.36	361.61	8.17	-110.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=CC=C1F	REAL300000305110	1	31	-2.0	-106.63	316.83	2.15	-104.48
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305111	0	43	-2.0	-107.53	368.56	6.50	-101.03
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000305113	0	29	-2.0	-101.91	304.11	6.00	-95.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CC=C1F	REAL300000305114	0	31	-2.0	-116.67	298.15	5.36	-111.31
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305115	0	33	-2.0	-104.73	320.20	3.90	-100.83
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305116	0	39	-2.0	-117.20	360.36	5.14	-112.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=CC=C1F	REAL300000305117	0	25	-2.0	-102.17	274.60	3.77	-98.40
CC1=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C(C2=CC=CC=C2)S1	REAL300000305118	0	37	-2.0	-115.81	350.93	6.62	-109.19
CC1=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300000305119	0	37	-2.0	-119.10	346.26	4.02	-115.08
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000305120	1	36	-2.0	-105.53	329.54	7.01	-98.52
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305121	0	38	-2.0	-115.14	333.81	6.80	-108.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=CC=C1F	REAL300000305122	0	28	-2.0	-104.88	291.30	5.45	-99.43
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305126	1	40	-2.0	-110.19	362.30	7.40	-102.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=CC=C1F	REAL300000305127	0	28	-2.0	-101.59	305.40	6.16	-95.43
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305128	0	28	-2.0	-101.70	299.20	5.27	-96.43
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000305129	0	38	-2.0	-109.54	353.21	5.50	-104.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=CC=C1F	REAL300000305130	1	31	-2.0	-108.41	302.41	5.92	-102.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=CC=C1F	REAL300000305131	0	31	-2.0	-103.70	314.47	6.11	-97.59
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305132	1	31	-2.0	-105.18	312.94	6.33	-98.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=CC=C1F	REAL300000305133	0	31	-2.0	-104.22	309.30	3.89	-100.33
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305134	1	32	-2.0	-114.49	306.31	6.11	-108.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=CC=C1F	REAL300000305135	1	31	-2.0	-109.31	315.58	2.28	-107.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=CC=C1F	REAL300000305137	0	36	-2.0	-103.36	339.67	6.32	-97.04
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000305139	0	34	-2.0	-117.93	325.44	6.22	-111.71
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000305140	1	32	-2.0	-101.44	305.96	4.42	-97.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=CC=C1F	REAL300000305141	0	27	-2.0	-115.00	282.92	5.45	-109.55
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305142	0	36	-2.0	-114.03	343.64	7.11	-106.92
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305143	0	27	-2.0	-96.53	264.69	1.45	-95.08
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=CN=C21	REAL300000305144	1	33	-2.0	-103.57	314.58	4.18	-99.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=CC=C1F	REAL300000305145	0	27	-2.0	-99.79	291.39	4.81	-94.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)=CC=C1F	REAL300000305148	1	31	-2.0	-99.33	325.68	6.56	-92.77
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000305149	1	34	-2.0	-97.62	333.70	5.88	-91.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CC=C1F	REAL300000305150	0	32	-2.0	-110.02	298.21	4.48	-105.54
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305151	0	29	-2.0	-104.77	304.14	6.00	-98.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=CC=C1F	REAL300000305152	0	31	-2.0	-106.74	314.18	4.10	-102.64
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305154	0	36	-2.0	-121.31	324.19	5.55	-115.76
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305156	0	31	-2.0	-112.45	289.82	6.01	-106.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)=CC=C1F	REAL300000305158	0	32	-2.0	-121.59	308.62	5.12	-116.47
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305159	0	41	-2.0	-107.39	360.41	6.50	-100.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)=CC=C1F	REAL300000305160	0	28	-2.0	-105.13	297.02	5.73	-99.40
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C12	REAL300000305161	0	36	-2.0	-123.97	328.11	6.22	-117.75
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305163	1	32	-2.0	-111.26	321.47	2.34	-108.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=CC=C1F	REAL300000305164	0	29	-2.0	-115.22	295.00	3.34	-111.88
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305165	0	31	-2.0	-105.08	294.82	2.51	-102.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)=CC=C1F	REAL300000305166	0	28	-2.0	-109.67	296.31	5.72	-103.95
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1OC	REAL300000305167	1	38	-2.0	-104.68	352.31	5.76	-98.92
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305171	0	34	-2.0	-106.55	320.61	6.32	-100.23
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000305172	0	34	-2.0	-107.84	334.90	6.68	-101.16
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000305173	1	38	-2.0	-108.77	339.49	4.73	-104.04
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305174	0	37	-2.0	-121.55	337.33	7.36	-114.19
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305175	0	36	-2.0	-106.48	328.14	3.40	-103.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=CC=C1F	REAL300000305176	0	34	-2.0	-115.40	331.41	6.60	-108.80
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000305178	0	31	-2.0	-111.78	315.18	2.53	-109.25
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000305178	1	30	-3.0	-169.12	311.90	1.41	-167.71
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000305179	1	35	-2.0	-107.72	331.43	4.06	-103.66
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1OC	REAL300000305180	0	36	-2.0	-106.40	342.03	4.82	-101.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=CC=C1F	REAL300000305181	1	32	-2.0	-104.15	315.69	4.69	-99.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=CC=C1F	REAL300000305182	1	31	-2.0	-98.20	314.56	6.10	-92.10
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000305183	0	33	-2.0	-108.40	327.02	0.66	-107.74
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305184	1	32	-2.0	-115.41	303.07	6.31	-109.10
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305185	1	32	-2.0	-112.44	312.47	6.21	-106.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=CC=C1F	REAL300000305186	0	28	-2.0	-102.80	300.08	6.12	-96.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(N)=NO1	REAL300000305188	0	29	-2.0	-99.09	276.65	2.44	-96.65
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1)OCC(=O)N2	REAL300000305189	0	38	-2.0	-111.40	349.19	2.07	-109.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=CC=C1F	REAL300000305190	0	28	-2.0	-101.19	300.24	6.43	-94.76
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305191	0	32	-2.0	-110.70	315.21	5.35	-105.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=CC=C1F	REAL300000305192	1	29	-2.0	-103.81	297.72	3.82	-99.99
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305195	1	35	-2.0	-109.54	315.18	5.12	-104.42
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Br	REAL300000305196	1	29	-2.0	-98.60	310.72	5.94	-92.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)=CC=C1F	REAL300000305198	0	30	-2.0	-99.63	320.12	6.28	-93.35
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000305199	0	26	-2.0	-99.50	282.72	4.60	-94.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)=CC=C1F	REAL300000305200	0	30	-2.0	-96.43	316.38	6.16	-90.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000305201	1	30	-2.0	-105.55	286.83	3.87	-101.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=CC=C1F	REAL300000305202	0	33	-2.0	-108.29	311.41	5.41	-102.88
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000305203	0	34	-2.0	-107.27	330.47	5.77	-101.50
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000305204	1	34	-2.0	-102.82	329.55	5.73	-97.09
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305205	0	36	-2.0	-116.80	346.36	6.89	-109.91
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C#N	REAL300000305206	1	32	-2.0	-101.10	310.19	5.94	-95.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=CC=C1F	REAL300000305207	0	27	-2.0	-95.05	287.96	3.72	-91.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000305208	0	32	-2.0	-110.02	305.21	4.41	-105.61
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1[N+](=O)[O-]	REAL300000305209	0	36	-2.0	-119.61	331.00	8.23	-111.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=CC=C1F	REAL300000305210	1	34	-2.0	-109.22	331.20	6.83	-102.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)=CC=C1F	REAL300000305212	0	32	-2.0	-113.17	317.99	5.92	-107.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=CC=C1F	REAL300000305213	1	31	-2.0	-106.40	304.41	5.98	-100.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=CC=C1F	REAL300000305214	1	38	-2.0	-112.51	344.42	8.46	-104.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000305216	0	31	-2.0	-101.72	287.10	3.51	-98.21
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305217	0	37	-2.0	-112.02	352.35	6.68	-105.34
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CN1C	REAL300000305218	0	40	-2.0	-108.50	372.23	6.25	-102.25
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300000305220	0	26	-2.0	-100.46	274.15	3.58	-96.88
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C(F)C=C1C	REAL300000305221	0	40	-2.0	-107.41	368.37	7.23	-100.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2)=CC=C1F	REAL300000305222	1	25	-2.0	-104.52	261.33	3.95	-100.57
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305223	1	42	-2.0	-118.34	381.76	3.24	-115.10
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305224	0	39	-2.0	-116.84	353.55	4.55	-112.29
CC1=CC(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000305225	0	34	-2.0	-106.29	317.16	6.15	-100.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000305226	1	31	-2.0	-102.00	297.42	1.73	-100.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=CC=C1F	REAL300000305227	0	28	-2.0	-107.44	292.45	5.63	-101.81
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305229	1	39	-2.0	-106.25	347.76	6.19	-100.06
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305230	0	37	-2.0	-109.99	347.75	7.82	-102.17
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305231	0	37	-2.0	-109.57	343.58	7.53	-102.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)=CC=C1F	REAL300000305232	0	31	-2.0	-106.44	312.82	6.94	-99.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=CC=C1F	REAL300000305233	0	31	-2.0	-109.83	306.78	6.40	-103.43
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305234	1	40	-2.0	-113.48	369.04	7.40	-106.08
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305235	0	34	-2.0	-121.19	326.92	7.14	-114.05
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000305236	0	37	-2.0	-108.56	341.32	5.04	-103.52
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305237	0	41	-2.0	-116.12	375.02	6.43	-109.69
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000305238	1	40	-2.0	-106.04	362.93	7.16	-98.88
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=C2O1	REAL300000305239	0	39	-2.0	-120.00	348.09	6.24	-113.76
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000305240	1	32	-2.0	-97.97	326.88	6.23	-91.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=CC=C1F	REAL300000305241	0	31	-2.0	-112.42	296.83	3.67	-108.75
N#CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305242	0	29	-2.0	-113.01	308.01	5.83	-107.18
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305244	1	35	-2.0	-110.23	321.57	5.27	-104.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=CC=C1F	REAL300000305245	0	28	-2.0	-109.06	292.56	5.91	-103.15
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000305247	1	37	-2.0	-110.68	337.51	7.98	-102.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=CC=C1F	REAL300000305248	0	25	-2.0	-106.01	278.20	4.50	-101.51
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305249	0	28	-2.0	-106.50	283.79	4.71	-101.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC=C1F	REAL300000305251	0	25	-2.0	-104.62	268.51	1.85	-102.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=CC=C1F	REAL300000305252	0	33	-2.0	-115.59	324.74	6.11	-109.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=CC=C1F	REAL300000305253	0	27	-2.0	-103.60	277.14	3.16	-100.44
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305254	1	35	-2.0	-104.27	338.44	5.35	-98.92
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305255	0	37	-2.0	-102.80	334.69	4.10	-98.70
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000305256	1	37	-2.0	-102.51	339.39	3.59	-98.92
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000305257	0	35	-3.0	-174.45	341.95	7.79	-166.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=CC=C1F	REAL300000305260	0	31	-2.0	-104.64	306.40	5.51	-99.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=CC=C1F	REAL300000305261	0	31	-2.0	-109.94	322.74	7.05	-102.89
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305262	0	33	-2.0	-116.92	317.23	4.02	-112.90
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305263	0	27	-2.0	-101.13	278.72	3.34	-97.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])=CC=C1F	REAL300000305264	0	30	-2.0	-104.99	313.90	7.03	-97.96
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=CC=C1F	REAL300000305266	0	32	-2.0	-93.91	307.76	4.62	-89.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=CC=C1F	REAL300000305266	1	32	-2.0	-104.13	319.05	3.74	-100.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=CC=C1F	REAL300000305267	0	34	-2.0	-103.21	326.16	6.44	-96.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)=CC=C1F	REAL300000305268	0	30	-2.0	-100.26	319.01	4.84	-95.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC=C1F	REAL300000305271	0	25	-2.0	-107.89	268.50	4.08	-103.81
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000305272	1	37	-2.0	-104.69	341.29	4.78	-99.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=CC=C1F	REAL300000305273	0	34	-2.0	-120.64	331.05	3.47	-117.17
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000305274	0	31	-2.0	-108.55	308.86	3.90	-104.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=CC=C1F	REAL300000305275	1	37	-2.0	-107.35	335.05	6.64	-100.71
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000305276	1	29	-2.0	-98.69	296.93	5.48	-93.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000305279	0	33	-2.0	-100.79	322.58	6.41	-94.38
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305280	0	34	-2.0	-108.99	320.44	6.44	-102.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=CC=C1F	REAL300000305281	0	29	-2.0	-107.06	303.11	4.34	-102.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1F	REAL300000305282	0	32	-3.0	-188.40	322.41	7.45	-180.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)=CC=C1F	REAL300000305284	0	32	-2.0	-108.27	321.53	4.92	-103.35
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2N=C1Cl	REAL300000305285	1	36	-2.0	-104.48	346.70	6.43	-98.05
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C(F)C=C1C	REAL300000305287	0	37	-2.0	-107.22	346.49	6.30	-100.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=CC=C1F	REAL300000305288	0	28	-2.0	-99.62	302.79	5.24	-94.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=CC=C1F	REAL300000305289	0	33	-2.0	-112.83	307.21	1.95	-110.88
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000305290	0	31	-2.0	-110.13	302.84	5.48	-104.65
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CN=C1C	REAL300000305291	0	36	-2.0	-100.79	336.46	4.38	-96.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000305292	0	29	-2.0	-98.04	293.62	3.90	-94.14
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305293	1	30	-2.0	-99.41	297.78	4.43	-94.98
CC1=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C(Br)N1C	REAL300000305294	0	31	-2.0	-115.45	310.84	4.49	-110.96
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000305295	1	34	-2.0	-101.16	324.65	6.56	-94.60
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305296	1	37	-2.0	-113.68	347.18	6.48	-107.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=CC=C1F	REAL300000305297	1	30	-2.0	-98.91	309.98	4.91	-94.00
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1C	REAL300000305301	0	31	-2.0	-105.90	290.86	3.27	-102.63
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305303	1	41	-2.0	-119.56	364.18	5.91	-113.65
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305304	0	31	-2.0	-106.57	293.61	3.40	-103.17
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305305	1	35	-2.0	-105.33	342.02	5.28	-100.05
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305306	0	28	-2.0	-99.48	286.10	3.64	-95.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)OC(C)C	REAL300000305307	1	43	-2.0	-106.56	383.14	7.87	-98.69
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=CC=C1F	REAL300000305309	1	33	-2.0	-105.89	316.65	2.24	-103.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=CC=C1F	REAL300000305310	0	28	-2.0	-105.81	285.90	2.57	-103.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=CC=C1F	REAL300000305311	0	34	-2.0	-105.38	320.87	4.77	-100.61
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305312	1	41	-2.0	-105.53	380.07	5.41	-100.12
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C12	REAL300000305313	1	42	-2.0	-112.51	364.68	7.21	-105.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)=CC=C1F	REAL300000305315	1	30	-2.0	-105.47	318.38	4.97	-100.50
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000305316	0	36	-2.0	-110.45	343.95	4.71	-105.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=CC=C1F	REAL300000305317	0	36	-2.0	-99.50	341.37	3.61	-95.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=CC=C1F	REAL300000305319	0	31	-2.0	-104.29	307.46	2.61	-101.68
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000305321	1	32	-2.0	-102.01	315.76	4.90	-97.11
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000305322	0	32	-2.0	-115.79	321.82	1.69	-114.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000305323	0	30	-3.0	-183.96	302.34	5.64	-178.32
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000305323	1	31	-2.0	-120.05	295.57	5.21	-114.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=CC=C1F	REAL300000305324	0	25	-2.0	-111.52	269.58	3.04	-108.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=CC=C1F	REAL300000305325	0	30	-2.0	-118.68	301.42	4.47	-114.21
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=CC=C1F	REAL300000305326	1	33	-2.0	-110.52	306.03	4.88	-105.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=CC=C1F	REAL300000305328	0	34	-2.0	-115.94	320.74	7.35	-108.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=CC=C1F	REAL300000305329	0	31	-2.0	-112.23	310.36	4.13	-108.10
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305330	0	34	-2.0	-115.61	338.62	6.56	-109.05
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305332	0	31	-2.0	-109.49	297.35	6.55	-102.94
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=CC=C1F	REAL300000305333	0	32	-2.0	-105.61	314.64	5.16	-100.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CC=C1F	REAL300000305334	0	33	-2.0	-117.70	306.53	4.86	-112.84
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000305335	1	37	-2.0	-109.93	352.64	6.53	-103.40
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC(C)=C2S1	REAL300000305336	0	37	-2.0	-110.69	341.42	8.07	-102.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)=CC=C1F	REAL300000305337	0	32	-2.0	-105.81	324.96	5.61	-100.20
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000305343	0	31	-2.0	-114.28	300.13	5.99	-108.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=CC=C1F	REAL300000305344	0	27	-2.0	-101.07	295.27	4.23	-96.84
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1Br	REAL300000305345	0	28	-2.0	-102.68	293.80	3.19	-99.49
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000305346	1	33	-2.0	-107.65	314.07	3.49	-104.16
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000305348	0	34	-2.0	-107.14	326.10	6.29	-100.85
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000305348	1	33	-3.0	-169.28	323.63	6.28	-163.00
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305350	0	32	-2.0	-110.86	304.89	4.89	-105.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=CC=C1F	REAL300000305351	1	31	-2.0	-98.86	309.80	4.15	-94.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000305352	1	36	-2.0	-106.57	332.62	6.87	-99.70
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305353	0	44	-2.0	-116.15	374.63	7.15	-109.00
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000305355	0	31	-2.0	-99.14	313.48	2.27	-96.87
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305356	0	27	-2.0	-99.41	268.98	2.95	-96.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=CC=C1F	REAL300000305357	1	32	-2.0	-102.70	319.97	3.20	-99.50
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000305358	1	31	-2.0	-102.87	305.70	6.13	-96.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CC=C1F	REAL300000305359	1	34	-2.0	-116.64	318.34	6.03	-110.61
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000305360	1	37	-2.0	-106.89	356.46	6.52	-100.37
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305361	0	37	-2.0	-113.03	350.76	6.39	-106.64
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C([N+](=O)[O-])S1	REAL300000305362	0	30	-2.0	-114.90	304.81	6.24	-108.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)=CC=C1F	REAL300000305364	0	30	-2.0	-99.25	308.71	5.04	-94.21
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=CC=C1F	REAL300000305365	1	31	-2.0	-103.06	312.23	3.23	-99.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC=C1F	REAL300000305366	0	27	-2.0	-110.78	270.73	3.22	-107.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC=C1F	REAL300000305369	0	27	-2.0	-98.91	271.65	3.19	-95.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=CC=C1F	REAL300000305371	0	30	-2.0	-106.28	320.81	5.02	-101.26
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=CS1	REAL300000305372	0	26	-2.0	-111.70	280.63	4.45	-107.25
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305373	0	35	-2.0	-112.41	337.99	6.79	-105.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=CC=C1F	REAL300000305376	1	28	-2.0	-99.65	292.83	5.61	-94.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=CC=C1F	REAL300000305377	0	37	-2.0	-115.51	331.91	5.40	-110.11
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=CC=C1F	REAL300000305378	1	35	-2.0	-112.52	335.32	2.92	-109.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=CC=C1F	REAL300000305379	0	36	-2.0	-117.08	322.42	6.24	-110.84
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305380	0	38	-2.0	-108.58	343.75	4.02	-104.56
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000305381	0	37	-2.0	-106.81	352.34	6.70	-100.11
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)S2)C1	REAL300000305386	0	39	-2.0	-108.45	361.46	5.57	-102.88
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000305387	1	43	-2.0	-113.29	380.09	7.39	-105.90
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305389	1	35	-2.0	-118.10	326.16	2.48	-115.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)=CC=C1F	REAL300000305392	1	40	-2.0	-107.57	354.48	6.47	-101.10
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=C2)=N1	REAL300000305393	1	40	-2.0	-109.90	363.27	4.94	-104.96
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000305394	0	34	-2.0	-108.23	319.46	4.12	-104.11
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305396	0	33	-2.0	-95.40	325.96	6.89	-88.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)=CC=C1F	REAL300000305399	0	35	-2.0	-115.82	336.72	6.84	-108.98
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)N1C	REAL300000305400	0	31	-2.0	-105.70	289.40	4.09	-101.61
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1F	REAL300000305401	0	34	-2.0	-109.48	335.04	5.79	-103.69
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305402	1	41	-2.0	-110.75	360.25	6.71	-104.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=CC=C1F	REAL300000305405	0	41	-2.0	-105.24	371.93	7.31	-97.93
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000305406	0	33	-2.0	-112.55	318.02	7.16	-105.39
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CN1CC1CC1	REAL300000305407	0	41	-2.0	-116.93	368.93	7.00	-109.93
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300000305408	0	34	-2.0	-103.14	327.66	4.42	-98.72
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C2C1	REAL300000305409	1	39	-2.0	-114.00	355.21	5.60	-108.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=CC=C1F	REAL300000305410	0	31	-2.0	-104.89	309.97	4.55	-100.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C)=C1[N+](=O)[O-]	REAL300000305412	1	36	-2.0	-104.48	334.29	7.35	-97.13
O=C([O-])C1=CC(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1F	REAL300000305413	0	37	-2.0	-118.79	342.20	7.74	-111.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1F	REAL300000305413	1	36	-3.0	-185.96	339.73	7.72	-178.24
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305414	0	31	-2.0	-95.67	311.83	3.66	-92.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=CC=C1F	REAL300000305415	0	27	-2.0	-104.14	287.60	3.64	-100.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=CC=C1F	REAL300000305416	1	38	-2.0	-118.91	336.32	8.44	-110.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(F)=C1F	REAL300000305418	0	31	-2.0	-111.02	302.35	5.82	-105.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)=CC=C1F	REAL300000305419	0	27	-2.0	-104.23	292.19	3.72	-100.51
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)OC=C1	REAL300000305420	0	31	-2.0	-114.33	303.60	4.42	-109.91
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000305422	0	30	-2.0	-119.36	297.31	4.02	-115.34
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C)=N1	REAL300000305423	0	40	-2.0	-106.33	358.12	5.81	-100.52
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305425	0	29	-3.0	-170.40	295.67	3.66	-166.74
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305426	0	32	-2.0	-106.85	302.95	5.19	-101.66
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000305428	1	40	-2.0	-105.17	348.44	7.30	-97.87
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305429	1	29	-2.0	-99.68	297.46	5.51	-94.17
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000305431	0	31	-2.0	-103.26	303.34	3.67	-99.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=CC=C1F	REAL300000305432	0	30	-2.0	-119.16	293.39	4.23	-114.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=CC=C1F	REAL300000305432	1	30	-2.0	-107.36	293.50	4.08	-103.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=CC=C1F	REAL300000305433	0	32	-2.0	-115.48	303.96	5.01	-110.47
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305434	0	38	-2.0	-105.09	331.20	5.17	-99.92
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300000305435	0	40	-2.0	-105.80	338.64	5.66	-100.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=CC=C1F	REAL300000305437	0	38	-2.0	-105.59	337.65	5.39	-100.20
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305438	0	31	-2.0	-99.85	304.54	3.94	-95.91
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(Br)=N1	REAL300000305439	0	28	-2.0	-106.84	295.46	3.25	-103.59
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=CC=C1F	REAL300000305443	0	29	-2.0	-94.84	275.42	3.69	-91.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=CC=C1F	REAL300000305443	1	29	-2.0	-104.99	286.41	2.81	-102.18
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305445	0	31	-2.0	-120.55	301.22	2.70	-117.85
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305446	0	34	-2.0	-106.36	313.07	4.20	-102.16
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000305447	1	33	-2.0	-107.48	315.24	5.52	-101.96
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000305448	0	28	-2.0	-101.42	275.43	2.40	-99.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C#N)=C1	REAL300000305449	0	32	-2.0	-115.04	309.72	5.98	-109.06
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305450	0	32	-2.0	-115.01	301.98	6.27	-108.74
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000305454	1	35	-2.0	-111.55	333.99	7.00	-104.55
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305456	0	28	-2.0	-98.54	289.47	0.84	-97.70
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305457	0	42	-2.0	-111.43	370.54	4.72	-106.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC=C1F	REAL300000305459	0	24	-2.0	-100.76	256.96	2.75	-98.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305462	0	34	-3.0	-167.18	326.89	5.40	-161.78
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305462	1	35	-2.0	-105.47	313.84	5.19	-100.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C(C(N)=O)O1	REAL300000305463	0	32	-2.0	-105.66	309.73	0.65	-105.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=CC=C1F	REAL300000305465	0	28	-2.0	-103.17	290.45	4.95	-98.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C(Cl)O1	REAL300000305467	0	27	-3.0	-161.83	298.83	4.59	-157.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=CC=C1F	REAL300000305468	1	33	-2.0	-117.14	306.47	5.54	-111.60
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305469	0	35	-2.0	-108.97	330.64	5.30	-103.67
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1F	REAL300000305470	0	29	-2.0	-111.25	296.04	5.47	-105.78
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)N=N1	REAL300000305471	0	27	-2.0	-109.87	269.02	1.37	-108.50
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305472	0	31	-2.0	-99.10	324.79	4.32	-94.78
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000305474	1	42	-2.0	-129.22	371.05	6.98	-122.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=CC=C1F	REAL300000305475	0	35	-2.0	-105.99	320.12	4.72	-101.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=CC=C1F	REAL300000305476	0	35	-2.0	-103.26	315.44	5.02	-98.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=CC=C1F	REAL300000305477	0	38	-2.0	-103.68	339.58	5.64	-98.04
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305478	0	41	-2.0	-117.70	375.02	6.41	-111.29
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1F	REAL300000305479	0	29	-2.0	-97.41	311.89	4.58	-92.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)=CC=C1F	REAL300000305480	0	33	-2.0	-112.70	321.90	4.06	-108.64
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=NN2C1	REAL300000305481	0	39	-2.0	-112.82	345.27	3.05	-109.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=CC=C1F	REAL300000305482	0	34	-2.0	-107.19	337.06	5.95	-101.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=CC=C1F	REAL300000305483	1	34	-2.0	-105.37	320.96	2.27	-103.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=CC=C1F	REAL300000305484	0	25	-2.0	-105.70	270.88	3.77	-101.93
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000305485	1	32	-2.0	-98.48	316.10	4.59	-93.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=CC=C1F	REAL300000305486	0	35	-2.0	-107.90	313.16	5.11	-102.79
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000305487	0	32	-2.0	-105.47	311.42	4.48	-100.99
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305489	0	38	-2.0	-112.84	344.68	6.44	-106.40
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305490	1	31	-2.0	-104.49	293.81	5.76	-98.73
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=C2O1	REAL300000305491	0	36	-2.0	-118.55	327.40	5.62	-112.93
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000305492	0	36	-2.0	-105.00	338.89	4.71	-100.29
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)CC1	REAL300000305493	1	36	-2.0	-109.57	338.46	7.26	-102.31
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305494	0	32	-2.0	-111.08	306.65	5.70	-105.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=CC=C1F	REAL300000305495	0	34	-2.0	-113.69	323.90	5.66	-108.03
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000305496	1	42	-2.0	-127.73	369.65	6.66	-121.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=CC=C1F	REAL300000305497	0	25	-2.0	-105.77	275.67	4.47	-101.30
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305498	0	28	-2.0	-97.25	292.17	3.16	-94.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=CC=C1F	REAL300000305499	0	30	-2.0	-98.89	304.38	4.24	-94.65
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305500	0	33	-2.0	-122.24	311.97	4.64	-117.60
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305501	0	30	-2.0	-97.01	284.15	2.38	-94.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=CC=C1F	REAL300000305503	1	29	-2.0	-97.95	285.10	3.83	-94.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=CC=C1F	REAL300000305504	0	31	-2.0	-109.72	309.08	6.47	-103.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=CC=C1F	REAL300000305505	0	31	-2.0	-121.18	315.13	4.75	-116.43
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305506	0	35	-2.0	-102.05	321.15	4.81	-97.24
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1OC	REAL300000305508	0	36	-2.0	-111.41	325.95	4.97	-106.44
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Br	REAL300000305510	1	29	-2.0	-99.03	310.76	5.95	-93.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=CC=C1F	REAL300000305511	0	31	-2.0	-110.46	300.00	5.33	-105.13
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1OC	REAL300000305512	0	36	-2.0	-116.20	329.64	5.37	-110.83
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000305513	0	41	-2.0	-110.00	359.00	5.94	-104.06
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C2S1	REAL300000305514	0	32	-2.0	-112.02	321.08	6.98	-105.04
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000305515	0	35	-2.0	-108.82	325.52	4.97	-103.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=CC=C1F	REAL300000305517	0	31	-2.0	-115.26	299.66	4.25	-111.01
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000305518	0	33	-2.0	-125.84	314.77	3.44	-122.40
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=C21	REAL300000305519	0	35	-2.0	-108.83	311.17	6.97	-101.86
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CN=C1N	REAL300000305520	1	32	-2.0	-107.61	298.23	2.75	-104.86
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305521	0	28	-2.0	-105.82	287.54	0.91	-104.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=CC=C1F	REAL300000305523	1	31	-2.0	-106.22	303.91	5.43	-100.79
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000305524	0	38	-2.0	-109.31	341.77	5.44	-103.87
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305525	1	46	-2.0	-111.57	384.46	8.95	-102.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=CC=C1F	REAL300000305526	0	25	-2.0	-105.09	276.06	4.58	-100.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=CC=C1F	REAL300000305527	0	38	-2.0	-106.52	344.22	5.68	-100.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=CC=C1F	REAL300000305528	0	32	-2.0	-111.30	306.97	6.24	-105.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)=CC=C1F	REAL300000305529	0	39	-2.0	-113.56	368.74	7.86	-105.70
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000305530	1	41	-2.0	-116.31	360.04	3.45	-112.86
COC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000305531	0	37	-2.0	-132.24	335.66	6.25	-125.99
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305532	1	37	-2.0	-109.24	334.61	7.26	-101.98
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305533	0	34	-2.0	-100.65	326.50	3.38	-97.27
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305534	0	29	-2.0	-110.68	294.73	5.39	-105.29
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305535	0	35	-2.0	-105.95	315.91	4.57	-101.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000305536	0	32	-2.0	-95.51	326.67	6.39	-89.12
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305539	0	37	-2.0	-101.07	317.20	4.95	-96.12
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000305540	0	37	-2.0	-106.66	334.72	4.75	-101.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=CC=C1F	REAL300000305541	0	35	-2.0	-106.55	318.74	4.15	-102.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000305542	0	33	-2.0	-98.80	321.14	4.86	-93.94
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000305543	0	39	-2.0	-105.50	344.49	5.86	-99.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=CC=C1F	REAL300000305544	1	30	-2.0	-93.23	309.25	5.79	-87.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=CC=C1F	REAL300000305545	1	31	-2.0	-99.07	315.36	6.12	-92.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=CC=C1F	REAL300000305546	1	31	-2.0	-108.31	298.22	5.87	-102.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=CC=C1F	REAL300000305547	0	28	-2.0	-106.97	291.75	5.41	-101.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=CC=C1F	REAL300000305548	0	28	-2.0	-100.15	301.96	5.15	-95.00
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305549	0	31	-2.0	-101.60	292.40	3.26	-98.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)=CC=C1F	REAL300000305551	1	31	-2.0	-98.30	322.13	6.46	-91.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=CC=C1F	REAL300000305553	1	31	-2.0	-106.92	298.01	6.06	-100.86
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305554	1	39	-2.0	-117.45	354.80	7.08	-110.37
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000305556	1	38	-2.0	-111.45	350.46	6.73	-104.72
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305558	0	33	-2.0	-105.08	328.99	5.53	-99.55
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000305559	1	37	-2.0	-108.14	348.65	6.70	-101.44
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1Cl	REAL300000305560	0	29	-2.0	-108.42	302.84	5.90	-102.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)=CC=C1F	REAL300000305561	0	37	-2.0	-115.52	344.37	5.02	-110.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=CC=C1F	REAL300000305562	0	28	-2.0	-108.18	290.23	5.27	-102.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=CC=C1F	REAL300000305563	1	35	-2.0	-109.25	319.45	7.14	-102.11
COC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=CS1	REAL300000305564	0	29	-2.0	-111.34	292.49	3.48	-107.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=CC=C1F	REAL300000305565	0	31	-2.0	-106.33	302.49	6.50	-99.83
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305566	0	34	-2.0	-103.30	336.40	5.39	-97.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=CC=C1F	REAL300000305567	0	35	-2.0	-111.20	324.94	7.21	-103.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=CC=C1F	REAL300000305568	0	38	-2.0	-103.46	334.97	5.66	-97.80
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305569	0	37	-2.0	-103.39	331.36	4.88	-98.51
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305572	0	31	-2.0	-114.84	324.16	1.54	-113.30
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C2=N1	REAL300000305573	0	33	-2.0	-117.87	313.83	3.40	-114.47
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300000305574	0	31	-2.0	-107.35	296.30	4.64	-102.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=CC=C1F	REAL300000305575	0	28	-2.0	-100.94	294.08	4.26	-96.68
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305576	0	32	-2.0	-103.93	311.18	4.95	-98.98
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C2CCOCC2)=N1	REAL300000305577	0	42	-2.0	-108.08	368.56	4.18	-103.90
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305578	1	34	-2.0	-108.28	323.43	6.58	-101.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=CC=C1F	REAL300000305579	1	32	-2.0	-107.57	309.47	4.63	-102.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000305581	0	29	-2.0	-104.78	294.01	3.49	-101.29
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000305582	0	39	-2.0	-124.65	341.66	7.38	-117.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CC=C1F	REAL300000305584	0	31	-2.0	-103.60	302.90	3.74	-99.86
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305585	1	38	-2.0	-109.96	347.14	5.73	-104.23
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1Cl	REAL300000305586	0	31	-2.0	-104.24	321.90	4.51	-99.73
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305587	0	38	-2.0	-104.06	349.90	6.24	-97.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=CC=C1F	REAL300000305588	0	41	-2.0	-105.58	356.61	5.98	-99.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CC=C1F	REAL300000305590	1	31	-2.0	-111.39	291.86	5.97	-105.42
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305591	1	40	-2.0	-113.62	357.02	7.64	-105.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC=C1F	REAL300000305592	0	31	-2.0	-110.98	295.73	5.43	-105.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=CC=C1F	REAL300000305593	1	30	-2.0	-109.41	301.16	4.43	-104.98
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000305594	0	30	-2.0	-105.63	290.93	1.90	-103.73
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1Cl	REAL300000305595	0	31	-2.0	-103.40	311.92	3.96	-99.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=CC=C1F	REAL300000305596	0	30	-2.0	-102.96	311.24	4.32	-98.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)=CC=C1F	REAL300000305597	0	33	-2.0	-119.32	326.69	6.22	-113.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC=C1F	REAL300000305598	0	25	-2.0	-101.84	269.97	3.66	-98.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=CC=C1F	REAL300000305599	1	33	-2.0	-117.02	323.42	6.01	-111.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000305600	1	37	-2.0	-116.91	329.00	7.89	-109.02
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000305602	1	42	-2.0	-104.76	374.81	6.56	-98.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=CC=C1F	REAL300000305603	0	28	-2.0	-103.44	297.74	5.66	-97.78
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300000305604	0	34	-2.0	-118.63	333.84	1.34	-117.29
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300000305605	0	38	-2.0	-111.60	347.64	6.47	-105.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=CC=C1F	REAL300000305607	0	32	-2.0	-107.78	314.04	6.37	-101.41
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000305608	1	31	-2.0	-99.18	315.67	5.86	-93.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=CC=C1F	REAL300000305610	0	24	-2.0	-97.95	274.15	3.46	-94.49
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000305611	1	38	-2.0	-107.88	356.90	6.94	-100.94
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=NN1	REAL300000305612	0	34	-2.0	-106.06	330.59	2.84	-103.22
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1OC	REAL300000305613	0	33	-2.0	-108.06	323.22	3.06	-105.00
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CC=C1F	REAL300000305614	0	29	-2.0	-95.32	309.45	4.06	-91.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CC=C1F	REAL300000305614	1	28	-3.0	-161.67	306.80	4.08	-157.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=CC=C1F	REAL300000305615	0	27	-2.0	-94.85	287.85	3.68	-91.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)=CC=C1F	REAL300000305616	0	32	-2.0	-106.90	318.52	6.04	-100.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=CC=C1F	REAL300000305617	1	32	-2.0	-106.74	315.72	4.69	-102.05
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305618	0	34	-2.0	-106.42	314.64	4.98	-101.44
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000305619	1	35	-2.0	-114.41	323.94	6.81	-107.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=CC=C1F	REAL300000305620	0	31	-2.0	-110.28	300.90	6.43	-103.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=CC=C1F	REAL300000305621	0	25	-2.0	-97.41	295.29	5.14	-92.27
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1Cl	REAL300000305622	0	28	-2.0	-103.12	290.08	3.09	-100.03
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305623	0	41	-2.0	-108.77	361.25	7.47	-101.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=CC=C1F	REAL300000305624	1	33	-2.0	-105.87	322.90	5.72	-100.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)=CC=C1F	REAL300000305625	1	39	-2.0	-110.41	358.91	7.88	-102.53
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305626	1	34	-2.0	-119.57	308.05	6.88	-112.69
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)OC=C1	REAL300000305627	0	26	-2.0	-108.22	272.07	3.51	-104.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)=CC=C1F	REAL300000305628	1	33	-2.0	-105.20	325.08	3.63	-101.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=CC=C1F	REAL300000305629	0	29	-2.0	-109.40	311.72	3.83	-105.57
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000305630	0	37	-2.0	-111.61	352.14	4.10	-107.51
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000305630	1	36	-3.0	-171.27	350.13	2.89	-168.38
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305631	0	30	-2.0	-98.95	297.96	4.44	-94.51
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305632	1	39	-2.0	-111.01	353.89	6.67	-104.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000305633	0	38	-2.0	-108.98	347.05	5.83	-103.15
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000305634	0	32	-2.0	-115.05	308.24	4.40	-110.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=CC=C1F	REAL300000305635	1	34	-2.0	-106.11	332.85	7.82	-98.29
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000305638	0	31	-2.0	-111.50	326.54	5.97	-105.53
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305639	0	41	-2.0	-104.47	356.99	6.24	-98.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC=C1F	REAL300000305640	0	25	-2.0	-104.44	269.01	3.54	-100.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CC=C1F	REAL300000305641	0	25	-2.0	-101.87	279.03	4.56	-97.31
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305642	0	42	-2.0	-115.11	375.05	5.33	-109.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=CC=C1F	REAL300000305643	0	34	-2.0	-111.81	329.08	7.88	-103.93
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305644	0	36	-2.0	-103.57	322.50	2.78	-100.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=CC=C1F	REAL300000305645	1	35	-2.0	-111.34	313.78	7.22	-104.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C)=N1	REAL300000305649	1	34	-2.0	-101.76	313.07	2.49	-99.27
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305650	0	34	-2.0	-112.05	317.61	2.88	-109.17
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305652	0	31	-2.0	-106.00	312.92	2.73	-103.27
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000305653	1	34	-2.0	-102.90	317.54	2.46	-100.44
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000305654	0	37	-2.0	-105.96	337.64	5.14	-100.82
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305655	0	37	-2.0	-106.82	333.80	4.78	-102.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=CC=C1F	REAL300000305656	0	27	-2.0	-104.70	297.56	3.03	-101.67
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=CO1	REAL300000305657	0	26	-2.0	-108.31	273.18	3.45	-104.86
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)SC=C1	REAL300000305658	0	26	-2.0	-107.34	282.28	4.37	-102.97
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305660	0	34	-2.0	-102.89	313.14	4.23	-98.66
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000305661	0	36	-2.0	-100.79	337.00	4.41	-96.38
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1F	REAL300000305662	0	38	-2.0	-107.16	347.54	7.46	-99.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1F	REAL300000305662	1	37	-3.0	-168.75	344.81	7.49	-161.26
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305663	0	31	-2.0	-114.00	312.06	6.86	-107.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CC=C1F	REAL300000305664	0	35	-2.0	-103.14	323.88	5.11	-98.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=CC=C1F	REAL300000305665	0	35	-2.0	-109.70	326.46	6.05	-103.65
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1C(C)C	REAL300000305667	0	37	-2.0	-106.57	334.70	4.78	-101.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=CC=C1F	REAL300000305668	1	35	-2.0	-115.35	330.08	7.25	-108.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=CC=C1F	REAL300000305669	0	30	-2.0	-102.31	297.59	4.07	-98.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=CC=C1F	REAL300000305670	0	28	-2.0	-105.54	309.63	1.17	-104.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=CC=C1F	REAL300000305672	1	35	-2.0	-108.48	331.75	7.28	-101.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=CC=C1F	REAL300000305673	0	32	-2.0	-110.31	320.68	5.51	-104.80
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1F	REAL300000305674	0	38	-2.0	-116.99	346.60	7.49	-109.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1F	REAL300000305674	1	37	-3.0	-178.24	344.12	7.49	-170.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC=C1F	REAL300000305675	1	29	-2.0	-108.93	281.24	2.19	-106.74
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305676	1	37	-2.0	-112.53	335.16	6.72	-105.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=CC=C1F	REAL300000305677	0	31	-2.0	-116.37	309.89	6.04	-110.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC=C1F	REAL300000305678	0	24	-2.0	-99.14	255.87	2.64	-96.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=CC=C1F	REAL300000305679	0	32	-2.0	-117.13	318.11	4.31	-112.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=CC=C1F	REAL300000305680	1	35	-2.0	-116.00	326.05	7.34	-108.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(Cl)=C1Cl	REAL300000305681	0	31	-2.0	-107.60	317.26	6.65	-100.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)=CC=C1F	REAL300000305682	0	32	-2.0	-103.26	321.70	4.90	-98.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=CC=C1F	REAL300000305683	0	35	-2.0	-107.92	338.17	6.09	-101.83
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C(C(F)F)=C1	REAL300000305684	1	35	-2.0	-113.84	320.68	5.63	-108.21
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(=O)[O-])=C3)C=C2C1	REAL300000305686	1	41	-2.0	-112.47	369.53	7.58	-104.89
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305687	0	33	-2.0	-115.20	311.01	4.63	-110.57
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305688	0	34	-2.0	-104.84	335.04	3.20	-101.64
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000305689	0	34	-2.0	-124.23	319.56	6.59	-117.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000305690	0	36	-2.0	-124.34	327.95	6.21	-118.13
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000305691	0	33	-3.0	-167.03	320.82	5.60	-161.43
CCC1=C(S(=O)(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000305691	1	34	-2.0	-107.37	325.54	5.47	-101.90
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305692	0	41	-2.0	-117.12	359.66	7.04	-110.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000305693	1	28	-2.0	-100.86	295.50	5.44	-95.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC=C1F	REAL300000305694	0	24	-2.0	-103.18	256.80	2.16	-101.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=CC=C1F	REAL300000305695	0	35	-2.0	-107.54	315.94	4.36	-103.18
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000305696	0	31	-2.0	-112.74	297.14	5.77	-106.97
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1	REAL300000305697	0	34	-2.0	-83.50	333.93	2.23	-81.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC=C1F	REAL300000305698	0	27	-2.0	-98.82	282.01	3.67	-95.15
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1	REAL300000305699	0	35	-2.0	-100.65	337.09	4.74	-95.91
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305700	0	27	-2.0	-96.87	293.89	4.36	-92.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1	REAL300000305701	0	27	-2.0	-89.09	277.46	3.65	-85.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305702	0	27	-2.0	-101.03	277.47	3.63	-97.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1	REAL300000305703	0	31	-2.0	-106.68	305.61	3.44	-103.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC=C1Br	REAL300000305704	0	27	-2.0	-96.46	293.72	4.12	-92.34
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1	REAL300000305705	0	31	-2.0	-89.38	308.92	4.93	-84.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000305706	0	30	-2.0	-103.19	297.54	4.28	-98.91
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305707	0	27	-2.0	-97.35	290.54	4.21	-93.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC=C1Cl	REAL300000305708	0	27	-2.0	-97.00	289.98	4.02	-92.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C(Cl)C=C1Cl	REAL300000305709	0	27	-2.0	-93.03	303.04	4.59	-88.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1C	REAL300000305710	0	33	-2.0	-104.80	310.14	4.98	-99.82
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305711	0	27	-2.0	-98.52	282.95	3.70	-94.82
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1	REAL300000305712	0	33	-2.0	-88.54	321.04	5.22	-83.32
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305713	0	24	-2.0	-95.22	270.66	2.66	-92.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1	REAL300000305714	0	30	-2.0	-102.77	292.91	4.42	-98.35
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1	REAL300000305715	1	31	-2.0	-87.89	308.54	3.91	-83.98
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)N=C3)C=C2)C1	REAL300000305716	0	38	-2.0	-84.38	354.31	4.70	-79.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C(Br)S1	REAL300000305717	0	24	-2.0	-92.76	287.65	3.44	-89.32
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000305718	0	28	-2.0	-99.34	284.11	2.99	-96.35
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1	REAL300000305719	1	31	-2.0	-103.23	301.68	2.46	-100.77
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305720	0	27	-2.0	-91.70	286.58	3.32	-88.38
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000305721	1	33	-2.0	-104.18	308.54	4.98	-99.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CS1	REAL300000305722	0	24	-2.0	-96.64	269.12	2.67	-93.97
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000305723	0	35	-2.0	-101.23	335.78	3.46	-97.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000305724	1	31	-2.0	-106.75	304.75	3.72	-103.03
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305725	0	37	-2.0	-106.28	332.71	6.28	-100.00
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1	REAL300000305726	0	36	-2.0	-104.86	331.37	5.65	-99.21
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1	REAL300000305727	0	33	-2.0	-101.67	307.61	5.38	-96.29
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1	REAL300000305728	0	34	-2.0	-106.38	327.90	4.21	-102.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC(C(=O)[O-])=C1	REAL300000305729	0	29	-3.0	-173.80	305.88	4.20	-169.60
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(Cl)N=C2)=CC(C(=O)[O-])=C1	REAL300000305729	1	30	-2.0	-109.03	308.30	4.20	-104.83
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305730	0	34	-2.0	-106.54	321.72	5.54	-101.00
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C(C(=O)[O-])O1	REAL300000305731	0	27	-2.0	-95.80	280.48	2.78	-93.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC2=C1OCCO2	REAL300000305732	0	33	-2.0	-105.53	319.64	3.41	-102.12
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305733	0	31	-2.0	-101.88	306.46	2.74	-99.14
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)N=C3)C=C2C1	REAL300000305734	1	35	-2.0	-89.00	331.11	4.25	-84.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC(Cl)=C1Cl	REAL300000305735	0	27	-2.0	-90.85	305.15	4.49	-86.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C(Cl)C=C1F	REAL300000305736	0	27	-2.0	-94.37	295.07	4.24	-90.13
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1Cl	REAL300000305737	0	31	-2.0	-86.62	324.57	4.45	-82.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC=C1OCC(=O)[O-]	REAL300000305738	1	34	-2.0	-88.29	328.61	4.62	-83.67
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1F	REAL300000305739	0	37	-2.0	-87.71	357.21	4.88	-82.83
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1	REAL300000305740	0	30	-2.0	-93.53	298.18	4.46	-89.07
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000305741	1	40	-2.0	-88.68	371.06	5.55	-83.13
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1F	REAL300000305742	0	31	-2.0	-87.64	314.77	3.98	-83.66
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000305743	1	34	-2.0	-107.37	326.61	4.62	-102.75
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C(C(=O)[O-])S1	REAL300000305744	0	27	-2.0	-99.21	287.17	3.52	-95.69
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305745	0	27	-2.0	-91.14	305.69	4.66	-86.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C(Cl)=C1	REAL300000305746	0	27	-2.0	-86.74	290.53	4.20	-82.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C(Br)=C1	REAL300000305747	0	27	-2.0	-86.42	293.88	4.33	-82.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1F	REAL300000305748	0	27	-2.0	-88.82	281.99	3.69	-85.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)S1	REAL300000305749	0	24	-2.0	-90.46	269.74	2.76	-87.70
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305750	0	27	-2.0	-92.11	283.88	3.71	-88.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1F	REAL300000305751	0	30	-2.0	-99.80	303.24	4.34	-95.46
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000305752	0	31	-2.0	-91.43	317.78	4.27	-87.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C(F)=C1	REAL300000305753	0	27	-2.0	-88.14	282.92	3.71	-84.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1Cl	REAL300000305754	0	27	-2.0	-86.69	289.96	4.05	-82.64
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1	REAL300000305755	0	30	-2.0	-95.16	306.91	4.84	-90.32
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1	REAL300000305756	0	35	-2.0	-86.35	341.22	5.05	-81.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1Br	REAL300000305757	0	27	-2.0	-86.28	293.69	4.15	-82.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC(F)=C1F	REAL300000305758	0	27	-2.0	-90.64	288.29	3.73	-86.91
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305759	0	29	-2.0	-86.52	305.67	4.31	-82.21
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305760	0	28	-2.0	-102.06	287.19	1.35	-100.71
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1	REAL300000305761	0	30	-2.0	-92.93	299.64	4.41	-88.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC(Cl)=C1F	REAL300000305762	0	27	-2.0	-91.96	298.18	4.17	-87.79
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1	REAL300000305763	0	30	-2.0	-96.69	287.51	4.27	-92.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC(C(=O)[O-])=C1F	REAL300000305764	0	30	-2.0	-99.97	302.30	4.29	-95.68
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1	REAL300000305765	1	30	-2.0	-89.67	292.88	4.41	-85.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC(C(=O)[O-])=C1C	REAL300000305766	0	33	-2.0	-104.96	314.27	4.81	-100.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC=C1[N+](=O)[O-]	REAL300000305767	0	29	-2.0	-99.88	304.03	4.72	-95.16
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305768	0	27	-2.0	-90.24	289.23	3.76	-86.48
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)S1	REAL300000305769	0	24	-2.0	-88.34	290.05	3.34	-85.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C(C)=C1C(=O)[O-]	REAL300000305770	1	33	-2.0	-101.17	310.86	5.05	-96.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000305771	0	30	-2.0	-99.51	298.95	4.25	-95.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1Cl	REAL300000305772	0	30	-2.0	-98.88	309.21	4.78	-94.10
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305773	0	30	-2.0	-104.70	302.48	4.33	-100.37
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000305774	0	33	-2.0	-102.56	311.70	4.82	-97.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1CC(=O)[O-]	REAL300000305775	1	34	-2.0	-103.20	327.94	3.76	-99.44
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1	REAL300000305776	0	30	-2.0	-90.33	303.73	4.82	-85.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1C(F)(F)F	REAL300000305777	0	30	-2.0	-85.93	307.58	4.46	-81.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000305778	0	30	-2.0	-98.54	308.69	4.60	-93.94
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305779	0	27	-2.0	-93.85	298.76	4.25	-89.60
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000305780	0	31	-2.0	-100.47	305.49	3.86	-96.61
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C(C)=C1CC(=O)[O-]	REAL300000305781	1	39	-2.0	-100.54	342.62	6.51	-94.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C(F)C(Cl)=C1F	REAL300000305782	0	27	-2.0	-89.29	303.05	4.21	-85.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C(OC(F)(F)F)=C1	REAL300000305783	0	31	-2.0	-88.05	322.16	3.93	-84.12
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000305784	0	30	-2.0	-95.35	311.21	4.71	-90.64
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C(C(=O)[O-])S1	REAL300000305785	0	36	-2.0	-99.26	326.91	5.77	-93.49
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000305786	0	31	-2.0	-102.83	317.80	4.28	-98.55
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC=C1C(=O)[O-]	REAL300000305787	0	30	-2.0	-89.15	293.48	4.18	-84.97
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C([N+](=O)[O-])=C1	REAL300000305788	0	32	-2.0	-93.45	320.74	5.82	-87.63
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1	REAL300000305789	1	30	-2.0	-100.50	297.43	4.45	-96.05
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1[N+](=O)[O-]	REAL300000305790	0	29	-2.0	-107.54	301.21	5.49	-102.05
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1F	REAL300000305791	0	27	-2.0	-104.26	281.13	3.66	-100.60
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000305792	0	30	-2.0	-93.57	302.41	4.32	-89.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC2=CC=CC=C21	REAL300000305793	0	33	-2.0	-108.75	318.52	5.77	-102.98
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305794	0	26	-2.0	-98.50	273.69	1.76	-96.74
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1	REAL300000305795	0	31	-2.0	-93.09	305.68	3.43	-89.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C(Cl)O1	REAL300000305796	0	24	-2.0	-89.30	277.62	2.60	-86.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=CC=C1OC(F)(F)F	REAL300000305797	0	31	-2.0	-96.48	321.25	4.20	-92.28
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)=C1	REAL300000305798	0	30	-2.0	-91.95	320.82	0.68	-91.27
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)N=C3)C=C2)CC1	REAL300000305799	0	34	-2.0	-95.96	323.60	5.52	-90.44
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)N=C3)C=C2C1	REAL300000305800	0	34	-2.0	-97.87	322.91	5.52	-92.35
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2)C=C(C(=O)[O-])O1	REAL300000305801	0	30	-2.0	-95.93	299.60	3.63	-92.30
CCNC1=CC=C(C(=O)OCC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000305802	1	45	-2.0	-103.85	397.38	6.37	-97.48
CCNC1=CC=C(C(=O)OCC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000305803	1	45	-2.0	-117.06	397.39	6.36	-110.70
CCNC1=CC=C(C(=O)OCC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000305804	0	42	-2.0	-111.10	390.58	5.37	-105.73
CCNC1=CC=C(C(=O)OCC)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000305805	0	46	-2.0	-115.11	404.04	5.70	-109.41
CCNC1=CC=C(C(=O)OCC)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000305806	0	42	-2.0	-112.49	389.04	5.40	-107.09
CCNC1=CC=C(C(=O)OCC)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000305807	0	45	-2.0	-111.48	400.40	5.50	-105.98
CCNC1=CC=C(C(=O)OCC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000305808	0	42	-2.0	-105.65	389.66	5.48	-100.17
CCNC1=CC=C(C(=O)OCC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000305809	0	44	-2.0	-116.28	394.36	4.41	-111.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)=CC=C1F	REAL300000305810	1	39	-2.0	-112.44	365.05	2.16	-110.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)C=C1	REAL300000305811	1	39	-2.0	-101.61	360.49	2.14	-99.47
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)=C1	REAL300000305812	0	39	-2.0	-114.00	360.52	2.13	-111.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)C=C1C(=O)[O-]	REAL300000305813	1	42	-2.0	-116.45	376.54	2.66	-113.79
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)=C1	REAL300000305814	0	39	-2.0	-113.10	365.99	2.19	-110.91
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)=C1	REAL300000305815	0	36	-2.0	-108.36	353.71	1.14	-107.22
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC([N+](=O)[O-])=CC=C1NCCO	REAL300000305816	0	42	-2.0	-116.78	375.95	2.91	-113.87
CN1C=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)C=C1C(=O)[O-]	REAL300000305817	0	40	-2.0	-112.22	367.16	1.47	-110.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)=CS1	REAL300000305818	0	36	-2.0	-110.68	352.17	1.16	-109.52
CC1=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)C=C(C(=O)[O-])O1	REAL300000305819	0	39	-2.0	-108.99	363.53	1.27	-107.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)C=C1F	REAL300000305820	0	39	-2.0	-101.11	365.03	2.17	-98.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)S1	REAL300000305821	0	36	-2.0	-103.69	352.78	1.25	-102.44
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)=C1	REAL300000305822	0	39	-2.0	-105.78	366.92	2.19	-103.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)C(F)=C1	REAL300000305823	0	39	-2.0	-100.94	365.98	2.20	-98.74
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)=C1	REAL300000305824	0	40	-2.0	-116.36	370.23	-0.16	-116.52
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)C=C1	REAL300000305825	0	42	-2.0	-106.81	382.71	2.90	-103.91
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC([N+](=O)[O-])=CC=C1NCCO	REAL300000305826	0	42	-2.0	-109.54	370.55	2.76	-106.78
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC([N+](=O)[O-])=CC=C1NCCO	REAL300000305827	1	42	-2.0	-101.92	375.93	2.90	-99.02
CCN1C=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)C=C1C(=O)[O-]	REAL300000305828	0	43	-2.0	-113.47	388.55	2.34	-111.13
CC1=CC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)=CC=C1C(=O)[O-]	REAL300000305829	1	42	-2.0	-101.77	376.52	2.67	-99.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)=C1F	REAL300000305830	0	39	-2.0	-117.31	364.15	2.14	-115.17
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)=C1	REAL300000305831	0	38	-2.0	-114.14	357.49	0.19	-113.95
CCC1=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NCCO)C=C(C(=O)[O-])O1	REAL300000305832	0	42	-2.0	-108.91	382.64	2.11	-106.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Br	REAL300000305835	1	31	-2.0	-103.98	305.15	6.19	-97.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1Br	REAL300000305836	1	35	-2.0	-93.60	336.60	7.50	-86.10
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1Br	REAL300000305838	1	37	-2.0	-109.94	337.83	7.55	-102.39
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Br	REAL300000305839	0	31	-2.0	-101.07	310.63	6.26	-94.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1Br	REAL300000305840	1	37	-2.0	-92.94	348.72	7.79	-85.15
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Br	REAL300000305841	0	28	-2.0	-98.45	298.33	5.21	-93.24
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1Br	REAL300000305842	1	34	-2.0	-104.63	320.58	6.98	-97.65
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Br	REAL300000305843	1	32	-2.0	-102.52	311.79	5.56	-96.96
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(Br)=C2)=C1	REAL300000305844	0	31	-2.0	-96.77	314.27	5.88	-90.89
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Br	REAL300000305846	0	28	-2.0	-99.86	296.80	5.23	-94.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(Br)=C1	REAL300000305847	1	37	-2.0	-103.00	335.30	7.92	-95.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(Br)=C2)C=C(C(=O)[O-])O1	REAL300000305848	0	31	-2.0	-97.97	308.16	5.34	-92.63
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(Br)=C2)C=C(C(=O)[O-])S1	REAL300000305849	1	31	-2.0	-101.20	313.75	6.09	-95.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Br	REAL300000305850	1	31	-2.0	-91.34	309.67	6.24	-85.10
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Br	REAL300000305851	0	28	-2.0	-93.41	297.42	5.33	-88.08
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Br	REAL300000305852	1	31	-2.0	-94.97	311.55	6.27	-88.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Br	REAL300000305853	0	31	-2.0	-91.24	310.61	6.27	-84.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Br	REAL300000305854	0	32	-2.0	-103.49	314.87	3.90	-99.59
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Br	REAL300000305854	1	32	-2.0	-105.37	313.95	4.77	-100.60
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Br	REAL300000305855	1	34	-2.0	-97.81	327.32	6.99	-90.82
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1Br	REAL300000305856	1	34	-2.0	-100.48	315.22	6.84	-93.64
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(Br)=C2)C=C1C(=O)[O-]	REAL300000305861	1	35	-2.0	-103.79	333.18	6.42	-97.37
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Br	REAL300000305863	0	31	-2.0	-108.34	308.76	6.23	-102.11
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Br	REAL300000305864	0	30	-2.0	-104.10	302.13	4.25	-99.85
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Br	REAL300000305865	0	28	-2.0	-91.82	305.29	5.18	-86.64
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(Br)=C2)C=C(C(=O)[O-])O1	REAL300000305866	0	34	-2.0	-97.76	327.28	6.19	-91.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N2CCOCC2)C=C1	REAL300000305867	0	43	-2.0	-106.31	371.62	4.68	-101.63
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N2CCOCC2)=C1	REAL300000305868	0	43	-2.0	-118.10	371.64	4.67	-113.43
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N2CCOCC2)=C1	REAL300000305869	0	40	-2.0	-112.70	364.81	3.68	-109.02
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N2CCOCC2)C=C1C(=O)[O-]	REAL300000305870	0	44	-2.0	-116.70	378.28	4.02	-112.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N2CCOCC2)=CS1	REAL300000305871	0	40	-2.0	-116.11	363.28	3.70	-112.41
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N2CCOCC2)C=C(C(=O)[O-])O1	REAL300000305872	0	43	-2.0	-112.75	374.86	3.80	-108.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N2CCOCC2)S1	REAL300000305873	0	40	-2.0	-108.83	363.89	3.80	-105.03
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N2CCOCC2)=C1	REAL300000305874	0	42	-2.0	-114.52	368.62	2.74	-111.78
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000305875	1	38	-2.0	-110.09	342.58	4.88	-105.21
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000305876	1	38	-2.0	-99.61	338.04	4.85	-94.76
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000305877	1	38	-2.0	-111.50	339.01	4.89	-106.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(C)=O)=C1C	REAL300000305878	0	42	-2.0	-117.67	366.90	4.69	-112.98
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C	REAL300000305879	1	42	-2.0	-99.25	369.51	6.14	-93.11
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000305880	1	41	-2.0	-112.92	353.53	5.38	-107.54
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C	REAL300000305881	0	38	-2.0	-107.82	352.11	5.46	-102.36
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000305882	1	38	-2.0	-108.41	350.28	5.25	-103.16
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C	REAL300000305883	1	44	-2.0	-114.94	372.14	6.22	-108.72
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000305884	0	38	-2.0	-109.42	344.51	4.96	-104.46
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300000305885	1	44	-2.0	-98.48	381.35	6.44	-92.04
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000305886	0	35	-2.0	-106.80	331.25	3.86	-102.94
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000305887	1	41	-2.0	-114.46	353.50	5.63	-108.83
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000305889	0	39	-2.0	-110.88	344.71	4.20	-106.68
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000305891	0	38	-2.0	-102.20	347.18	4.53	-97.67
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000305893	0	35	-2.0	-108.19	329.71	3.90	-104.29
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C	REAL300000305895	1	47	-2.0	-115.33	392.93	6.90	-108.43
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(C)=O)=C1C	REAL300000305896	1	44	-2.0	-112.89	367.69	6.56	-106.33
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(C)=O)=C1C	REAL300000305897	0	45	-2.0	-117.30	389.18	5.46	-111.84
CC(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000305898	0	41	-2.0	-118.21	365.67	5.33	-112.88
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000305898	1	40	-3.0	-186.42	367.41	5.46	-180.96
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C	REAL300000305899	1	45	-2.0	-118.49	382.04	6.75	-111.74
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000305900	0	38	-2.0	-106.85	341.07	3.99	-102.86
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C	REAL300000305901	0	42	-2.0	-112.31	367.07	3.92	-108.39
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C	REAL300000305903	1	41	-2.0	-104.58	358.50	5.68	-98.90
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C	REAL300000305904	1	42	-2.0	-97.40	375.37	5.18	-92.22
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000305906	1	38	-2.0	-110.41	347.49	4.74	-105.67
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000305907	0	38	-2.0	-97.06	352.08	5.45	-91.61
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000305908	1	38	-2.0	-98.88	342.29	4.90	-93.98
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000305909	0	35	-2.0	-100.98	330.05	3.99	-96.99
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000305910	1	38	-2.0	-102.57	344.46	4.92	-97.65
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C	REAL300000305911	0	41	-2.0	-110.74	364.50	5.59	-105.15
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000305912	0	38	-2.0	-98.84	344.50	4.96	-93.88
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000305913	1	38	-2.0	-97.10	350.53	5.26	-91.84
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1C	REAL300000305914	1	41	-2.0	-106.38	367.24	6.06	-100.32
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000305915	1	38	-2.0	-101.35	348.60	4.95	-96.40
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C	REAL300000305916	0	40	-2.0	-96.73	366.23	5.52	-91.21
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000305917	0	39	-2.0	-112.31	348.77	2.60	-109.71
CC(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C	REAL300000305917	1	39	-2.0	-110.17	342.07	3.45	-106.72
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000305918	1	41	-2.0	-103.27	360.22	5.63	-97.64
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000305919	1	41	-2.0	-107.74	348.42	5.52	-102.22
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000305920	1	41	-2.0	-110.39	362.88	5.50	-104.89
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000305922	1	44	-2.0	-115.57	372.33	5.96	-109.61
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300000305923	0	40	-2.0	-110.67	364.30	5.93	-104.74
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C	REAL300000305924	0	38	-2.0	-100.97	350.77	5.02	-95.95
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C	REAL300000305926	0	41	-2.0	-110.31	360.09	5.49	-104.82
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1C	REAL300000305927	0	41	-2.0	-109.49	370.54	6.03	-103.46
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C	REAL300000305928	0	41	-2.0	-116.54	363.79	5.59	-110.95
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(C)=O)=C2C)C=C1C(=O)[O-]	REAL300000305929	1	44	-2.0	-113.48	372.76	6.06	-107.42
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1C	REAL300000305931	1	41	-2.0	-100.58	365.16	6.07	-94.51
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000305932	1	41	-2.0	-109.18	369.29	5.80	-103.38
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(C)=O)=C2C)C=C1C(=O)[O-]	REAL300000305933	0	42	-2.0	-111.34	366.02	5.04	-106.30
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000305934	1	41	-2.0	-105.70	368.75	5.85	-99.85
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000305935	1	41	-2.0	-99.68	354.90	5.45	-94.23
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C	REAL300000305937	0	40	-2.0	-118.75	362.80	6.74	-112.01
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000305938	0	38	-2.0	-114.75	341.72	4.86	-109.89
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000305939	1	41	-2.0	-103.91	359.77	5.46	-98.45
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300000305940	1	44	-2.0	-119.51	380.46	6.98	-112.53
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000305941	0	37	-2.0	-110.22	334.77	2.92	-107.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(NC(C)=O)=C1C	REAL300000305942	0	42	-2.0	-103.69	367.26	4.68	-99.01
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C	REAL300000305943	0	35	-2.0	-99.60	339.15	3.86	-95.74
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C	REAL300000305944	1	45	-2.0	-106.93	383.34	6.70	-100.23
CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C	REAL300000305945	1	45	-2.0	-101.13	383.14	6.72	-94.41
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(C)=O)=C2C)C=C(C(=O)[O-])O1	REAL300000305946	0	41	-2.0	-106.87	360.19	4.83	-102.04
CCN(C1=CC=C(F)C(F)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000305971	0	37	-2.0	-107.76	352.60	8.07	-99.69
CCN(C1=CC=C(F)C(F)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000305992	0	35	-2.0	-108.30	313.93	6.19	-102.11
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000306023	1	34	-2.0	-97.57	337.52	6.09	-91.48
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300000306024	1	34	-2.0	-88.13	332.97	6.06	-82.07
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000306025	1	34	-2.0	-99.66	332.98	6.05	-93.61
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1Cl	REAL300000306026	0	38	-2.0	-104.74	361.12	5.85	-98.89
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000306027	1	38	-2.0	-88.09	364.44	7.35	-80.74
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000306028	1	37	-2.0	-102.00	353.05	6.70	-95.30
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1Cl	REAL300000306029	1	40	-2.0	-102.79	365.66	7.41	-95.38
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1Cl	REAL300000306030	0	34	-2.0	-96.69	338.45	6.12	-90.57
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000306031	1	40	-2.0	-87.14	376.55	7.65	-79.49
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000306032	0	31	-2.0	-94.30	326.16	5.07	-89.23
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1Cl	REAL300000306033	1	37	-2.0	-100.73	348.41	6.85	-93.88
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000306034	1	38	-2.0	-86.72	364.06	6.34	-80.38
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000306035	0	35	-2.0	-98.27	339.62	5.40	-92.87
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000306037	0	34	-2.0	-90.64	342.10	5.74	-84.90
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC=C1Cl	REAL300000306038	1	40	-2.0	-102.11	364.05	7.40	-94.71
COC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000306039	0	31	-2.0	-95.70	324.63	5.09	-90.61
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000306040	1	38	-2.0	-105.53	360.26	6.12	-99.41
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)OC)=C1	REAL300000306041	1	40	-2.0	-99.41	363.12	7.78	-91.63
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000306042	0	34	-2.0	-94.31	335.98	5.20	-89.11
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000306043	0	38	-2.0	-100.84	361.96	5.14	-95.70
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000306044	0	34	-2.0	-97.47	341.58	5.95	-91.52
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000306045	1	34	-2.0	-87.95	337.50	6.10	-81.85
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000306046	0	31	-2.0	-89.54	325.25	5.19	-84.35
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000306047	1	34	-2.0	-90.95	339.38	6.12	-84.83
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1Cl	REAL300000306048	0	34	-2.0	-87.33	338.44	6.13	-81.20
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Cl	REAL300000306049	0	35	-2.0	-99.65	342.69	3.77	-95.88
COC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Cl	REAL300000306049	1	35	-2.0	-99.69	331.73	4.65	-95.04
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000306050	1	37	-2.0	-91.84	355.16	6.84	-85.00
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000306051	1	37	-2.0	-96.07	343.04	6.69	-89.38
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1Cl	REAL300000306052	1	37	-2.0	-88.56	348.39	6.83	-81.73
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000306053	1	40	-2.0	-102.46	365.87	7.13	-95.33
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000306054	1	40	-2.0	-100.24	367.46	7.45	-92.79
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000306055	1	40	-2.0	-101.23	367.22	7.24	-93.99
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000306056	0	38	-2.0	-99.48	361.01	6.27	-93.21
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Cl	REAL300000306057	1	37	-2.0	-88.19	348.98	6.60	-81.59
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000306058	0	34	-2.0	-103.53	336.64	6.09	-97.44
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000306059	0	33	-2.0	-96.78	329.96	4.11	-92.67
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1Cl	REAL300000306060	0	38	-2.0	-91.98	361.18	5.85	-86.13
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000306061	0	31	-2.0	-88.31	333.12	5.03	-83.28
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000306062	0	37	-2.0	-94.24	355.11	6.05	-88.19
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C	REAL300000306065	1	38	-2.0	-119.17	340.57	4.80	-114.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(C)=O)C(C)=C1	REAL300000306066	0	42	-2.0	-125.78	368.71	4.60	-121.18
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C	REAL300000306067	1	42	-2.0	-106.09	372.03	6.10	-99.99
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C	REAL300000306069	0	38	-2.0	-115.44	353.64	5.37	-110.07
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000306070	1	38	-2.0	-115.84	353.10	5.18	-110.66
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000306072	0	38	-2.0	-117.21	346.06	4.86	-112.35
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C	REAL300000306073	1	44	-2.0	-105.35	383.87	6.40	-98.95
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000306074	0	35	-2.0	-113.21	333.77	3.82	-109.39
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000306077	1	39	-2.0	-118.47	346.23	4.10	-114.37
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C	REAL300000306079	0	38	-2.0	-109.55	348.71	4.43	-105.12
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C	REAL300000306081	1	35	-2.0	-114.84	330.95	3.79	-111.05
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1C	REAL300000306083	1	47	-2.0	-123.45	394.47	6.81	-116.64
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(C)=O)C(C)=C1	REAL300000306084	1	44	-2.0	-119.46	370.71	6.52	-112.94
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(C)=O)C(C)=C1	REAL300000306085	0	45	-2.0	-125.56	390.72	5.37	-120.19
CC(=O)NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000306086	0	41	-2.0	-121.18	371.17	5.37	-115.81
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000306086	1	40	-3.0	-195.44	368.98	5.37	-190.07
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C	REAL300000306087	1	45	-2.0	-126.48	383.57	6.65	-119.83
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C	REAL300000306088	0	38	-2.0	-114.12	342.58	3.90	-110.22
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C	REAL300000306089	0	42	-2.0	-121.03	369.57	3.88	-117.15
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C	REAL300000306091	1	41	-2.0	-110.94	361.29	5.61	-105.33
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C	REAL300000306092	1	42	-2.0	-104.31	376.86	5.10	-99.21
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C	REAL300000306094	1	38	-2.0	-116.91	348.89	4.70	-112.21
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000306095	0	38	-2.0	-104.00	353.64	5.35	-98.65
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000306096	1	38	-2.0	-105.57	344.82	4.85	-100.72
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000306097	0	35	-2.0	-108.48	332.84	3.92	-104.56
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000306098	1	38	-2.0	-109.82	346.97	4.88	-104.94
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C	REAL300000306099	0	41	-2.0	-118.65	366.05	5.51	-113.14
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000306100	0	38	-2.0	-106.02	346.05	4.86	-101.16
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C	REAL300000306101	1	38	-2.0	-103.82	352.79	5.21	-98.61
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C	REAL300000306102	1	41	-2.0	-112.76	370.03	5.99	-106.77
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000306103	1	38	-2.0	-108.38	351.42	4.89	-103.49
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C	REAL300000306104	1	40	-2.0	-104.26	368.48	5.48	-98.78
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C	REAL300000306105	0	39	-2.0	-120.15	350.30	2.50	-117.65
CC(=O)NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C	REAL300000306105	1	39	-2.0	-113.09	338.28	3.36	-109.73
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C	REAL300000306106	1	41	-2.0	-110.56	362.47	5.59	-104.97
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300000306111	0	40	-2.0	-117.58	366.82	5.89	-111.69
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000306112	0	38	-2.0	-108.48	352.32	4.93	-103.55
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C	REAL300000306114	0	41	-2.0	-119.10	360.44	5.35	-113.75
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C	REAL300000306115	0	41	-2.0	-117.17	372.05	5.94	-111.23
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C	REAL300000306116	0	41	-2.0	-124.49	365.62	5.48	-119.01
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C	REAL300000306119	1	41	-2.0	-109.29	371.88	6.03	-103.26
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000306120	1	41	-2.0	-116.59	371.83	5.75	-110.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(C)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000306121	1	42	-2.0	-119.90	367.60	4.96	-114.94
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000306122	1	41	-2.0	-114.04	373.42	5.86	-108.18
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C	REAL300000306125	0	40	-2.0	-127.08	364.30	6.65	-120.43
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000306126	0	38	-2.0	-122.66	342.97	4.79	-117.87
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000306127	1	41	-2.0	-112.43	365.00	5.47	-106.96
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C	REAL300000306128	1	44	-2.0	-128.76	381.31	6.92	-121.84
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000306129	0	37	-2.0	-117.98	335.80	2.87	-115.11
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(C)=O)C(C)=C1	REAL300000306130	0	42	-2.0	-111.08	368.79	4.59	-106.49
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000306131	0	35	-2.0	-106.81	340.72	3.80	-103.01
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C	REAL300000306132	1	45	-2.0	-113.43	386.71	6.69	-106.74
CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C	REAL300000306133	1	45	-2.0	-116.10	385.73	6.70	-109.40
CCC1=C(S(=O)(=O)[N-]C2=CC=C(NC(C)=O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000306134	0	41	-2.0	-114.19	361.70	4.75	-109.44
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000306135	1	42	-2.0	-90.50	377.22	3.32	-87.18
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000306136	1	35	-2.0	-107.39	325.29	4.77	-102.62
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000306137	0	43	-2.0	-107.89	380.36	5.83	-102.06
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000306138	1	35	-2.0	-96.92	320.74	4.75	-92.17
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000306139	1	35	-2.0	-109.33	320.74	4.74	-104.59
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000306140	0	39	-2.0	-114.82	348.88	4.53	-110.29
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000306141	1	39	-2.0	-96.62	352.21	6.03	-90.59
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000306142	1	38	-2.0	-111.34	336.76	5.27	-106.07
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000306143	0	35	-2.0	-104.79	333.81	5.31	-99.48
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000306144	1	35	-2.0	-105.82	333.26	5.13	-100.69
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000306145	0	35	-2.0	-100.37	346.31	5.68	-94.69
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000306146	1	41	-2.0	-112.14	353.42	6.08	-106.06
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000306147	0	35	-2.0	-106.70	326.22	4.80	-101.90
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000306148	1	41	-2.0	-95.81	364.33	6.32	-89.49
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000306149	0	32	-2.0	-103.56	313.93	3.75	-99.81
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000306150	1	38	-2.0	-110.03	336.18	5.52	-104.51
COCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000306152	0	36	-2.0	-107.76	327.39	4.08	-103.68
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000306154	0	35	-2.0	-100.02	329.85	4.41	-95.61
COCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000306156	0	32	-2.0	-105.01	312.39	3.77	-101.24
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000306157	1	43	-2.0	-110.26	379.08	4.55	-105.71
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000306159	1	45	-2.0	-114.09	375.99	7.37	-106.72
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000306160	1	44	-2.0	-112.25	374.65	6.74	-105.51
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COC)=C1	REAL300000306161	1	41	-2.0	-108.26	350.91	6.46	-101.80
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000306162	0	42	-2.0	-114.77	371.17	5.29	-109.48
COCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000306163	0	38	-2.0	-108.94	355.87	5.16	-103.78
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000306163	1	37	-3.0	-185.26	349.15	5.30	-179.96
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000306164	1	42	-2.0	-114.32	365.01	6.64	-107.68
COCC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000306165	0	35	-2.0	-102.90	323.75	3.87	-99.03
COCC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000306166	1	41	-2.0	-114.17	362.92	4.51	-109.66
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000306167	0	39	-2.0	-111.15	349.73	3.82	-107.33
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000306169	1	35	-2.0	-98.77	348.43	5.58	-93.19
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000306170	0	35	-2.0	-101.38	338.33	5.33	-96.05
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000306171	1	39	-2.0	-93.75	367.85	5.55	-88.20
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000306173	1	45	-2.0	-94.41	400.49	5.98	-88.43
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000306174	1	38	-2.0	-100.53	341.45	5.55	-94.98
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000306176	1	39	-2.0	-94.67	358.05	5.08	-89.59
COCC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000306178	1	35	-2.0	-106.39	329.34	4.63	-101.76
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000306179	0	35	-2.0	-98.55	348.96	5.76	-92.79
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000306180	0	35	-2.0	-94.49	333.79	5.30	-89.19
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000306181	1	35	-2.0	-96.32	325.27	4.78	-91.54
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000306182	0	32	-2.0	-98.74	313.01	3.87	-94.87
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000306183	1	35	-2.0	-100.07	327.15	4.79	-95.28
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000306184	0	38	-2.0	-108.13	346.50	5.43	-102.70
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000306185	0	39	-2.0	-99.14	361.05	5.37	-93.77
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000306186	0	35	-2.0	-96.54	326.21	4.81	-91.73
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000306187	1	35	-2.0	-94.37	333.24	5.14	-89.23
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000306188	1	38	-2.0	-102.21	350.19	5.93	-96.28
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000306189	1	43	-2.0	-93.28	384.49	6.15	-87.13
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000306190	1	35	-2.0	-98.13	331.57	4.83	-93.30
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000306191	0	37	-2.0	-94.25	348.94	5.40	-88.85
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000306192	0	36	-2.0	-108.88	330.46	2.44	-106.44
COCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000306192	1	36	-2.0	-105.58	329.55	3.32	-102.26
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000306193	1	38	-2.0	-100.62	342.93	5.51	-95.11
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000306194	1	35	-2.0	-99.58	341.46	5.27	-94.31
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000306195	1	38	-2.0	-106.32	330.81	5.37	-100.95
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000306196	1	38	-2.0	-108.00	345.59	5.39	-102.61
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000306198	1	41	-2.0	-113.35	353.63	5.81	-107.54
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000306199	0	37	-2.0	-107.29	347.32	5.82	-101.47
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000306200	0	35	-2.0	-98.28	332.50	4.86	-93.42
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000306202	0	38	-2.0	-109.06	346.06	5.42	-103.64
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000306203	0	38	-2.0	-106.64	352.51	5.86	-100.78
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000306204	0	38	-2.0	-115.32	345.78	5.43	-109.89
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC)=C2)C=C1C(=O)[O-]	REAL300000306205	1	41	-2.0	-112.12	355.03	5.92	-106.20
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000306207	1	38	-2.0	-99.37	347.00	5.91	-93.46
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000306208	1	38	-2.0	-93.52	350.87	5.55	-87.97
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000306209	1	38	-2.0	-107.71	351.96	5.69	-102.02
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(COC)=C2)C=C1C(=O)[O-]	REAL300000306210	0	39	-2.0	-109.05	348.76	4.96	-104.09
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000306212	0	35	-2.0	-96.86	346.35	5.29	-91.57
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000306213	1	38	-2.0	-103.36	350.62	5.70	-97.66
COCC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000306214	0	44	-2.0	-105.98	370.18	6.87	-99.11
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000306215	0	39	-2.0	-110.36	361.07	5.37	-104.99
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000306216	1	38	-2.0	-97.09	336.75	5.28	-91.81
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000306217	0	40	-2.0	-102.63	364.01	6.93	-95.70
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000306219	0	37	-2.0	-117.73	344.47	6.60	-111.13
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000306220	0	35	-2.0	-114.49	324.40	4.77	-109.72
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000306221	1	38	-2.0	-101.61	341.92	5.30	-96.31
COCC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000306222	1	41	-2.0	-118.67	361.79	6.86	-111.81
COCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000306223	0	34	-2.0	-107.19	316.96	2.87	-104.32
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000306224	0	39	-2.0	-101.26	348.94	4.54	-96.72
COCC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000306225	0	32	-2.0	-96.90	320.89	3.73	-93.17
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000306226	1	42	-2.0	-103.43	366.87	6.62	-96.81
COCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000306227	1	42	-2.0	-107.30	366.21	6.62	-100.68
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(COC)=C2)C=C(C(=O)[O-])O1	REAL300000306228	0	38	-2.0	-102.73	342.87	4.72	-98.01
CN(C)C(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000306233	0	42	-2.0	-112.70	378.97	5.90	-106.80
CN(C)C(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000306234	0	39	-2.0	-109.16	366.67	4.85	-104.31
CN(C)C(=O)COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000306236	1	43	-2.0	-109.51	380.14	5.19	-104.32
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCC(=O)N(C)C)C=C2)=C1	REAL300000306237	0	42	-2.0	-105.47	383.03	5.52	-99.95
CN(C)C(=O)COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000306238	1	39	-2.0	-110.51	364.76	4.87	-105.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(=O)N(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000306239	0	42	-2.0	-105.08	376.52	4.98	-100.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(=O)N(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000306240	1	42	-2.0	-108.47	382.52	5.71	-102.76
CN(C)C(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000306242	0	39	-2.0	-100.31	365.34	4.95	-95.36
CN(C)C(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000306243	1	42	-2.0	-105.94	380.30	5.90	-100.04
CN(C)C(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000306244	0	42	-2.0	-101.59	378.95	5.91	-95.68
CN(C)C(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000306245	0	43	-2.0	-110.61	383.85	3.56	-107.05
CN(C)C(=O)COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000306245	1	43	-2.0	-114.41	381.98	4.34	-110.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000306249	1	46	-2.0	-110.91	402.16	6.07	-104.84
CN(C)C(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000306251	0	42	-2.0	-115.25	377.14	5.86	-109.39
CN(C)C(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000306252	0	41	-2.0	-112.48	369.70	3.95	-108.53
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(=O)N(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000306253	0	45	-2.0	-104.93	395.61	5.83	-99.10
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000306259	0	35	-2.0	-94.34	326.19	6.69	-87.65
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000306269	0	35	-2.0	-100.76	325.72	7.57	-93.19
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000306280	0	35	-2.0	-101.96	321.16	7.55	-94.41
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1	REAL300000306286	0	35	-2.0	-117.46	321.19	7.54	-109.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C21	REAL300000306307	0	39	-2.0	-100.33	341.35	7.39	-92.94
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000306308	0	39	-2.0	-102.09	352.63	8.83	-93.26
CC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000306313	0	38	-2.0	-101.42	341.26	8.19	-93.23
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000306325	0	35	-2.0	-107.45	328.05	7.84	-99.61
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000306326	0	35	-2.0	-97.88	333.70	7.93	-89.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=C1C	REAL300000306342	0	41	-2.0	-110.50	355.25	8.91	-101.59
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000306346	0	35	-2.0	-97.23	319.60	7.35	-89.88
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000306351	0	41	-2.0	-101.02	364.75	9.13	-91.89
O=C([O-])C1=CSC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000306359	0	32	-2.0	-98.25	314.36	6.56	-91.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C21	REAL300000306362	0	38	-2.0	-117.40	328.96	7.99	-109.41
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000306378	0	39	-2.0	-101.55	352.25	7.82	-93.73
CN1C=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000306412	0	36	-2.0	-113.66	327.89	6.89	-106.77
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C21	REAL300000306416	0	39	-2.0	-110.08	346.88	6.44	-103.64
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000306436	0	35	-2.0	-105.06	330.28	7.22	-97.84
CC1=CC(C)=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000306439	0	41	-2.0	-108.76	353.64	8.89	-99.87
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=CS1	REAL300000306460	0	32	-2.0	-113.18	312.84	6.57	-106.61
COC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000306464	0	39	-2.0	-105.20	348.46	7.61	-97.59
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C21	REAL300000306470	0	44	-2.0	-116.94	367.15	9.13	-107.81
CC1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000306478	1	36	-2.0	-108.97	312.57	6.26	-102.71
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C21	REAL300000306479	0	41	-2.0	-109.05	355.03	9.29	-99.76
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C21	REAL300000306481	0	42	-2.0	-99.80	363.70	8.17	-91.63
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000306482	0	37	-3.0	-175.12	349.60	8.10	-167.02
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000306484	0	42	-2.0	-119.13	358.55	9.25	-109.88
CC1=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])O1	REAL300000306491	0	35	-2.0	-111.13	318.62	6.52	-104.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000306505	0	39	-2.0	-115.06	344.49	6.60	-108.46
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000306508	0	35	-2.0	-107.37	332.63	7.86	-99.51
CC1=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=CC=C1OCC(=O)[O-]	REAL300000306516	0	42	-2.0	-101.34	372.33	8.53	-92.81
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C21	REAL300000306527	0	38	-2.0	-102.76	343.54	8.41	-94.35
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1F	REAL300000306530	0	39	-2.0	-105.33	358.46	7.89	-97.44
CCOC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000306540	0	42	-2.0	-124.59	370.32	8.51	-116.08
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300000306551	1	38	-2.0	-98.45	349.33	3.94	-94.51
CC1=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])S1	REAL300000306566	0	35	-2.0	-114.62	323.88	7.21	-107.41
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000306613	0	35	-2.0	-97.49	328.07	7.83	-89.66
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000306614	0	35	-2.0	-105.09	325.69	7.58	-97.51
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300000306621	0	32	-2.0	-98.05	313.43	6.67	-91.38
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1	REAL300000306623	0	35	-2.0	-95.45	327.58	7.61	-87.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=C1F	REAL300000306624	0	38	-2.0	-106.60	342.96	8.11	-98.49
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000306627	0	35	-2.0	-96.62	322.65	7.48	-89.14
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000306628	0	35	-2.0	-101.28	333.66	7.94	-93.34
CC(=O)NC1=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=CC=C1[O-]	REAL300000306637	1	40	-2.0	-102.34	354.47	3.91	-98.43
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C21	REAL300000306640	0	38	-2.0	-103.52	352.24	8.80	-94.72
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000306648	0	35	-2.0	-110.79	331.99	7.63	-103.16
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000306649	0	37	-2.0	-93.62	349.37	8.21	-85.41
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000306662	0	35	-3.0	-174.50	319.55	6.19	-168.31
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000306662	1	36	-2.0	-98.34	320.70	5.49	-92.85
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000306665	0	38	-2.0	-101.41	343.35	8.32	-93.09
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000306690	0	35	-2.0	-111.10	341.88	8.07	-103.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C21	REAL300000306697	0	38	-2.0	-104.55	332.15	8.22	-96.33
CC1=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=CC(C(=O)[O-])=C1F	REAL300000306700	0	38	-2.0	-119.14	346.01	8.19	-110.95
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C21	REAL300000306701	0	38	-2.0	-104.51	329.09	7.99	-96.52
CC1=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000306707	0	41	-2.0	-100.02	354.05	8.61	-91.41
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000306710	0	37	-2.0	-105.39	347.75	8.63	-96.76
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000306713	0	35	-2.0	-98.93	328.96	7.53	-91.40
CC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1C(=O)[O-]	REAL300000306720	0	41	-2.0	-104.52	347.95	8.60	-95.92
CC1=CC(F)=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000306721	0	38	-2.0	-96.87	335.65	7.89	-88.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=C1Cl	REAL300000306722	0	38	-2.0	-108.34	346.79	8.41	-99.93
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000306723	0	38	-2.0	-102.36	342.27	8.11	-94.25
CCC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000306729	0	41	-2.0	-99.43	355.42	8.73	-90.70
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C21	REAL300000306734	0	38	-2.0	-98.99	343.20	7.53	-91.46
COC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1CC(=O)[O-]	REAL300000306742	0	42	-2.0	-120.19	371.65	7.67	-112.52
COC1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000306744	1	37	-2.0	-107.34	320.64	4.89	-102.45
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C21	REAL300000306761	0	38	-2.0	-99.46	349.24	8.75	-90.71
CC1=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=CC(C(=O)[O-])=C1Cl	REAL300000306765	0	38	-2.0	-115.99	352.40	8.50	-107.49
CCN1C=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000306769	0	39	-2.0	-114.83	349.21	7.76	-107.07
CC1=C(Cl)C=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000306845	0	38	-2.0	-111.36	354.92	8.61	-102.75
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300000306851	1	35	-2.0	-96.97	334.37	3.34	-93.63
CC1=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=CC=C1C(=O)[O-]	REAL300000306891	0	38	-2.0	-100.57	337.19	8.08	-92.49
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000306926	0	36	-2.0	-100.19	330.23	6.61	-93.58
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C21	REAL300000306939	0	38	-2.0	-110.28	342.66	8.42	-101.86
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000306941	0	37	-2.0	-115.00	345.77	9.39	-105.61
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000306977	0	35	-2.0	-102.45	320.92	7.44	-95.01
CC1=C(F)C=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000307001	0	38	-2.0	-110.29	346.11	8.22	-102.07
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC([O-])=CC(C(F)(F)F)=C1	REAL300000307010	1	36	-2.0	-100.57	338.89	5.90	-94.67
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000307061	0	41	-2.0	-104.40	362.21	9.67	-94.73
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000307072	0	34	-2.0	-109.01	317.39	5.66	-103.35
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000307090	0	33	-2.0	-101.28	297.58	5.67	-95.61
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C21	REAL300000307108	0	39	-2.0	-101.82	344.79	7.40	-94.42
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=C(Cl)O1	REAL300000307113	0	32	-2.0	-100.96	316.17	6.35	-94.61
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000307122	0	33	-2.0	-88.42	327.15	6.65	-81.77
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000307249	1	38	-2.0	-97.72	349.39	4.64	-93.08
CCOC(=O)C1=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)=N[N-]1	REAL300000307249	1	38	-2.0	-97.54	349.49	4.64	-92.90
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000307251	0	33	-2.0	-91.48	323.18	5.74	-85.74
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300000307266	1	41	-2.0	-97.89	370.11	4.87	-93.02
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000307296	0	42	-2.0	-110.03	367.30	9.43	-100.60
O=C([O-])C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000307308	0	42	-2.0	-107.25	366.62	9.43	-97.82
CCC1=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])O1	REAL300000307321	0	38	-2.0	-105.86	346.43	7.45	-98.41
CCCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000307327	1	42	-2.0	-94.76	384.78	2.81	-91.95
CCCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000307328	1	42	-2.0	-107.60	384.81	2.79	-104.81
CCCNS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000307329	0	41	-2.0	-104.10	381.00	0.91	-103.19
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)=C1	REAL300000307334	0	35	-2.0	-100.65	342.11	5.75	-94.90
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)=C1	REAL300000307335	0	32	-2.0	-97.98	329.81	4.70	-93.28
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000307337	1	36	-2.0	-101.95	343.28	5.04	-96.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)=C1	REAL300000307338	0	35	-2.0	-95.99	345.76	5.37	-90.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)=CS1	REAL300000307339	1	32	-2.0	-101.16	328.28	4.72	-96.44
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000307340	0	35	-2.0	-97.83	339.66	4.82	-93.01
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000307341	1	35	-2.0	-101.12	345.23	5.58	-95.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)S1	REAL300000307343	0	32	-2.0	-93.08	328.89	4.81	-88.27
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)=C1	REAL300000307344	1	35	-2.0	-96.35	343.03	5.75	-90.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)C(F)=C1	REAL300000307345	0	35	-2.0	-92.37	342.09	5.76	-86.61
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)=C1	REAL300000307346	0	36	-2.0	-103.52	346.34	3.39	-100.13
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OCC(F)(F)F)C=C2)=C1	REAL300000307346	1	36	-2.0	-103.18	345.53	4.18	-99.00
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000307350	1	39	-2.0	-103.24	364.65	5.91	-97.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)=C1F	REAL300000307352	0	35	-2.0	-107.47	340.28	5.72	-101.75
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)=C1	REAL300000307353	0	34	-2.0	-103.00	332.84	3.80	-99.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)=C(Cl)O1	REAL300000307354	0	32	-2.0	-91.71	336.78	4.66	-87.05
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000307355	0	38	-2.0	-97.77	358.75	5.67	-92.10
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCCO3)=C1	REAL300000307359	1	34	-2.0	-101.18	337.69	4.53	-96.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCCO3)S1	REAL300000307364	1	34	-2.0	-96.94	336.76	4.63	-92.31
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(C=C2Cl)OCCCO3)=C1	REAL300000307365	0	38	-2.0	-109.75	351.75	4.07	-105.68
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCCO3)=C1	REAL300000307370	0	36	-2.0	-104.50	341.47	3.57	-100.93
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]NC2=NC=CC=N2)=C1F	REAL300000307391	1	28	-2.0	-106.48	301.45	4.93	-101.55
O=C([O-])C1=CC(S(=O)(=O)NNC2=NC=CC=N2)=CC(C(=O)[O-])=C1	REAL300000307401	0	31	-2.0	-112.19	308.49	4.56	-107.63
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NNC2=NC=CC=N2)=C1	REAL300000307433	0	29	-2.0	-108.40	279.19	3.01	-105.39
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC2=NC=CC=N2)=C1	REAL300000307443	1	28	-2.0	-99.01	288.30	4.41	-94.60
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]NC2=NC=CC=N2)S1	REAL300000307444	1	25	-2.0	-97.19	289.13	3.95	-93.24
O=C([O-])C1=CC(S(=O)(=O)[N-]NC2=NC=CC=N2)=C(F)C(Cl)=C1F	REAL300000307460	1	28	-2.0	-97.74	302.13	4.84	-92.90
O=C([O-])C1=CC(S(=O)(=O)[N-]NC2=NC=CC=N2)=C(Cl)O1	REAL300000307473	1	25	-2.0	-97.94	276.70	3.26	-94.68
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000307479	1	32	-2.0	-98.09	317.24	2.33	-95.76
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300000307480	1	32	-2.0	-88.70	312.69	2.31	-86.39
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000307481	1	32	-2.0	-100.10	312.70	2.30	-97.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(N)=O)=C1	REAL300000307482	0	36	-2.0	-105.79	340.85	2.10	-103.69
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000307483	1	36	-2.0	-88.89	344.17	3.60	-85.29
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000307484	1	35	-2.0	-102.28	332.78	2.95	-99.33
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1Cl	REAL300000307485	0	32	-2.0	-96.54	325.78	2.87	-93.67
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000307486	1	32	-2.0	-96.26	325.21	2.69	-93.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)=C1C	REAL300000307487	1	38	-2.0	-103.92	345.38	3.66	-100.26
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1Cl	REAL300000307488	0	32	-2.0	-97.58	318.18	2.36	-95.22
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000307489	1	38	-2.0	-87.77	356.28	3.89	-83.88
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000307490	0	29	-2.0	-94.80	305.89	1.32	-93.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(N)=O)=C1	REAL300000307491	1	35	-2.0	-101.96	328.14	3.09	-98.87
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000307492	1	36	-2.0	-87.45	343.79	2.59	-84.86
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000307493	0	33	-2.0	-98.69	319.35	1.65	-97.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)=C1	REAL300000307495	0	32	-2.0	-91.15	321.83	1.99	-89.16
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000307496	1	38	-2.0	-103.25	343.78	3.65	-99.60
NC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000307497	0	29	-2.0	-96.20	304.36	1.33	-94.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000307498	1	36	-2.0	-105.94	339.98	2.37	-103.57
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(N)=O)=C1	REAL300000307499	1	41	-2.0	-103.90	366.61	4.31	-99.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(N)=O)=C1	REAL300000307500	1	38	-2.0	-100.81	342.85	4.03	-96.78
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(N)=O)=C1	REAL300000307501	0	39	-2.0	-105.31	363.14	2.86	-102.45
NC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000307502	0	35	-2.0	-110.72	343.59	2.87	-107.85
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000307502	1	34	-3.0	-172.56	341.12	2.87	-169.69
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1Cl	REAL300000307503	1	39	-2.0	-105.67	356.97	4.21	-101.46
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000307504	0	32	-2.0	-95.38	315.71	1.44	-93.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)=C1	REAL300000307505	0	36	-2.0	-101.01	341.69	1.39	-99.62
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)=CC=C1OCC(=O)[O-]	REAL300000307506	1	39	-2.0	-87.86	363.86	3.29	-84.57
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(N)=O)=C1	REAL300000307507	1	35	-2.0	-92.89	333.41	3.12	-89.77
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000307508	1	39	-2.0	-106.54	361.84	3.28	-103.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)C=C(C(=O)[O-])S1	REAL300000307509	0	32	-2.0	-98.64	321.30	2.19	-96.45
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1Cl	REAL300000307510	0	32	-2.0	-86.52	325.76	2.86	-83.66
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000307511	1	32	-2.0	-88.51	317.23	2.34	-86.17
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000307512	0	29	-2.0	-89.98	304.98	1.43	-88.55
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000307513	1	32	-2.0	-91.44	319.11	2.37	-89.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)=C1F	REAL300000307514	0	35	-2.0	-98.81	338.48	3.01	-95.80
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1Cl	REAL300000307515	0	32	-2.0	-87.69	318.17	2.37	-85.32
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1Cl	REAL300000307516	1	32	-2.0	-86.40	325.20	2.70	-83.70
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000307517	1	32	-2.0	-90.11	323.52	2.39	-87.72
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1Cl	REAL300000307518	0	34	-2.0	-85.95	340.90	2.97	-82.98
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Cl	REAL300000307519	0	33	-2.0	-101.22	322.42	0.01	-101.21
NC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Cl	REAL300000307519	1	33	-2.0	-101.11	311.46	0.89	-100.22
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000307520	1	35	-2.0	-91.82	334.89	3.09	-88.73
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(N)=O)=C1	REAL300000307521	1	35	-2.0	-95.92	322.77	2.94	-92.98
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000307522	1	35	-2.0	-99.31	337.56	2.95	-96.36
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(N)=O)=C1	REAL300000307523	1	35	-2.0	-89.31	328.12	3.07	-86.24
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000307524	1	38	-2.0	-102.76	345.59	3.37	-99.39
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000307525	0	34	-2.0	-99.53	339.27	3.39	-96.14
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1Cl	REAL300000307526	0	32	-2.0	-89.52	324.46	2.43	-87.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)C(C)=C1C(=O)[O-]	REAL300000307527	1	38	-2.0	-100.08	347.19	3.70	-96.38
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000307528	0	35	-2.0	-99.75	338.02	3.00	-96.75
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)=C1	REAL300000307529	0	35	-2.0	-103.78	337.74	2.99	-100.79
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000307530	1	38	-2.0	-101.63	346.95	3.49	-98.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)C=C1CC(=O)[O-]	REAL300000307531	1	39	-2.0	-102.31	363.17	2.43	-99.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000307532	0	36	-2.0	-99.86	340.73	2.51	-97.35
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000307533	1	35	-2.0	-88.71	328.71	2.85	-85.86
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(N)=O)=C1	REAL300000307534	1	35	-2.0	-100.09	332.24	3.14	-96.95
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1Cl	REAL300000307535	0	34	-2.0	-106.23	336.44	4.15	-102.08
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000307536	0	32	-2.0	-103.16	316.37	2.34	-100.82
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000307537	1	35	-2.0	-92.90	337.65	2.98	-89.92
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000307538	0	31	-2.0	-97.98	309.69	0.36	-97.62
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(N)=O)=C1	REAL300000307539	0	36	-2.0	-92.56	340.91	2.10	-90.46
NC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000307540	0	29	-2.0	-89.04	312.86	1.29	-87.75
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1Cl	REAL300000307541	1	39	-2.0	-95.36	358.83	4.19	-91.17
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1Cl	REAL300000307542	1	39	-2.0	-96.98	358.14	4.19	-92.79
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000307543	0	35	-2.0	-95.43	334.84	2.29	-93.14
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000307544	1	38	-2.0	-115.64	351.31	3.99	-111.65
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000307546	1	38	-2.0	-118.57	346.79	3.96	-114.61
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000307547	0	42	-2.0	-124.36	374.92	3.77	-120.59
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000307548	1	42	-2.0	-106.09	378.23	5.26	-100.83
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000307550	0	38	-2.0	-114.20	359.85	4.54	-109.66
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000307551	1	38	-2.0	-114.17	359.28	4.35	-109.82
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000307552	1	44	-2.0	-121.29	379.17	5.28	-116.01
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000307553	0	38	-2.0	-116.18	352.26	4.03	-112.15
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000307554	1	44	-2.0	-105.34	390.34	5.55	-99.79
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000307555	0	35	-2.0	-112.78	339.96	2.98	-109.80
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000307556	1	41	-2.0	-119.42	362.21	4.75	-114.67
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000307558	1	39	-2.0	-116.98	353.43	3.33	-113.65
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000307560	0	38	-2.0	-109.93	355.89	3.64	-106.29
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000307562	0	35	-2.0	-114.18	338.43	3.00	-111.18
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000307564	1	47	-2.0	-121.76	400.67	5.97	-115.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(=O)NC)C=C1	REAL300000307565	1	44	-2.0	-117.60	376.92	5.69	-111.91
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000307566	0	45	-2.0	-125.07	397.21	4.54	-120.53
CNC(=O)CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000307567	0	41	-2.0	-125.71	377.88	4.48	-121.23
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000307567	1	40	-3.0	-195.83	375.18	4.53	-191.30
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000307568	1	45	-2.0	-125.87	391.02	5.87	-120.00
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000307569	0	38	-2.0	-112.12	349.79	3.11	-109.01
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000307570	0	42	-2.0	-121.57	375.74	3.06	-118.51
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000307572	1	41	-2.0	-109.82	367.50	4.78	-105.04
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000307573	1	42	-2.0	-103.70	384.07	4.31	-99.39
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000307575	1	38	-2.0	-115.70	355.38	3.86	-111.84
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000307576	0	38	-2.0	-103.97	359.83	4.53	-99.44
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000307577	1	38	-2.0	-105.94	351.31	4.01	-101.93
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000307578	0	35	-2.0	-108.52	339.05	3.10	-105.42
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000307579	1	38	-2.0	-109.34	353.18	4.04	-105.30
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000307580	0	41	-2.0	-117.76	372.53	4.67	-113.09
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000307581	0	38	-2.0	-106.24	352.24	4.04	-102.20
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000307582	1	38	-2.0	-104.02	359.28	4.37	-99.65
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000307583	1	41	-2.0	-111.49	376.23	5.17	-106.32
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000307584	1	38	-2.0	-108.78	357.61	4.06	-104.72
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000307585	1	40	-2.0	-104.65	374.97	4.64	-100.01
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000307586	0	39	-2.0	-118.45	356.49	1.68	-116.77
CNC(=O)CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000307586	1	39	-2.0	-112.01	355.68	2.47	-109.54
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000307587	1	41	-2.0	-110.20	368.94	4.74	-105.46
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000307588	1	41	-2.0	-117.47	360.60	4.71	-112.76
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000307589	1	41	-2.0	-119.20	371.61	4.62	-114.58
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000307592	0	40	-2.0	-118.16	373.35	5.06	-113.10
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000307593	0	38	-2.0	-107.85	358.53	4.10	-103.75
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000307595	0	41	-2.0	-117.45	368.25	4.57	-112.88
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000307596	0	41	-2.0	-116.02	378.54	5.11	-110.91
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000307597	0	41	-2.0	-125.78	371.79	4.66	-121.12
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000307600	1	41	-2.0	-109.17	373.57	5.12	-104.05
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000307601	1	41	-2.0	-118.16	378.00	4.93	-113.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)NC)C=C2)C=C1C(=O)[O-]	REAL300000307602	1	42	-2.0	-118.28	374.80	4.19	-114.09
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000307603	1	41	-2.0	-114.77	380.56	5.03	-109.74
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000307606	0	40	-2.0	-128.50	370.53	5.83	-122.67
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000307607	0	38	-2.0	-125.01	350.43	4.00	-121.01
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000307608	1	41	-2.0	-112.87	371.74	4.64	-108.23
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000307609	1	44	-2.0	-126.84	387.82	6.10	-120.74
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000307610	0	37	-2.0	-116.60	342.99	2.08	-114.52
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000307611	0	42	-2.0	-110.87	374.98	3.76	-107.11
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000307612	0	35	-2.0	-106.23	346.93	2.95	-103.28
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000307613	1	45	-2.0	-112.05	390.76	5.79	-106.26
CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000307614	1	45	-2.0	-116.34	392.22	5.86	-110.48
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)NC)C=C2)C=C(C(=O)[O-])O1	REAL300000307615	0	41	-2.0	-111.94	368.90	3.95	-107.99
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1	REAL300000307616	1	43	-2.0	-87.85	383.02	6.38	-81.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC=C1F	REAL300000307617	1	36	-2.0	-104.27	331.08	7.82	-96.45
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000307618	0	44	-2.0	-104.85	386.16	8.87	-95.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1	REAL300000307619	1	36	-2.0	-94.39	326.54	7.80	-86.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307620	1	36	-2.0	-106.71	326.54	7.79	-98.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000307621	0	40	-2.0	-111.68	354.68	7.59	-104.09
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1	REAL300000307622	1	40	-2.0	-93.82	358.01	9.08	-84.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000307623	1	39	-2.0	-107.89	342.56	8.32	-99.57
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307624	0	36	-2.0	-101.87	339.61	8.36	-93.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC=C1Cl	REAL300000307625	1	36	-2.0	-102.58	339.06	8.18	-94.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1C	REAL300000307626	1	42	-2.0	-109.21	359.22	9.14	-100.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307627	0	36	-2.0	-103.58	332.02	7.85	-95.73
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1	REAL300000307628	1	42	-2.0	-93.02	370.12	9.37	-83.65
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307629	0	33	-2.0	-101.08	319.72	6.81	-94.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000307630	1	39	-2.0	-107.08	341.97	8.57	-98.51
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000307632	0	37	-2.0	-105.17	333.19	7.14	-98.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307634	0	36	-2.0	-97.19	335.66	7.47	-89.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CS1	REAL300000307636	0	33	-2.0	-102.53	318.19	6.82	-95.71
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307638	1	46	-2.0	-110.87	381.78	10.42	-100.45
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000307639	1	45	-2.0	-109.11	380.44	9.80	-99.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000307640	1	42	-2.0	-105.26	356.68	9.50	-95.76
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000307641	0	43	-2.0	-111.12	376.97	8.35	-102.77
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(N3C=CC=C3)=C2)=CC(C(=O)[O-])=C1	REAL300000307642	0	39	-2.0	-112.72	361.65	8.21	-104.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC(C(=O)[O-])=C1	REAL300000307642	1	38	-3.0	-182.64	354.94	8.35	-174.29
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307643	1	43	-2.0	-111.22	370.78	9.68	-101.54
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000307644	0	36	-2.0	-100.33	329.55	6.92	-93.41
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307645	0	40	-2.0	-107.90	355.53	6.88	-101.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C(Cl)C=C1F	REAL300000307647	0	36	-2.0	-98.65	344.13	8.37	-90.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000307649	1	39	-2.0	-97.82	347.26	8.60	-89.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1F	REAL300000307650	1	40	-2.0	-92.06	363.84	8.13	-83.93
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C(C(=O)[O-])S1	REAL300000307652	1	36	-2.0	-103.62	335.14	7.68	-95.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C(Cl)=C1	REAL300000307653	0	36	-2.0	-91.96	339.59	8.35	-83.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1F	REAL300000307654	1	36	-2.0	-93.92	331.06	7.83	-86.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)S1	REAL300000307655	0	33	-2.0	-96.02	318.81	6.91	-89.11
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307656	1	36	-2.0	-97.62	332.94	7.86	-89.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1F	REAL300000307657	0	39	-2.0	-105.00	352.30	8.49	-96.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C(F)=C1	REAL300000307658	0	36	-2.0	-93.89	332.00	7.86	-86.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1Cl	REAL300000307659	1	36	-2.0	-91.94	339.04	8.19	-83.75
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000307660	1	39	-2.0	-99.48	356.00	8.99	-90.49
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1	REAL300000307661	1	44	-2.0	-90.60	390.29	9.20	-81.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC(F)=C1F	REAL300000307662	1	36	-2.0	-95.86	337.36	7.88	-87.98
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307663	0	38	-2.0	-91.82	354.73	8.46	-83.36
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307664	0	37	-2.0	-105.75	336.25	5.50	-100.25
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307664	1	37	-2.0	-105.42	335.35	6.37	-99.05
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1	REAL300000307665	1	39	-2.0	-97.47	348.73	8.56	-88.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC(Cl)=C1F	REAL300000307666	1	36	-2.0	-97.26	347.24	8.32	-88.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000307667	1	39	-2.0	-103.44	336.61	8.43	-95.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC(C(=O)[O-])=C1F	REAL300000307668	1	39	-2.0	-105.60	351.37	8.44	-97.16
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC(C(=O)[O-])=C1C	REAL300000307670	1	42	-2.0	-111.28	363.34	8.96	-102.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC=C1[N+](=O)[O-]	REAL300000307671	0	38	-2.0	-105.23	353.12	8.88	-96.35
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307672	0	36	-2.0	-95.39	338.29	7.92	-87.47
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000307674	0	39	-2.0	-105.90	351.86	8.49	-97.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1Cl	REAL300000307675	0	39	-2.0	-103.63	358.30	8.93	-94.70
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307676	0	39	-2.0	-112.24	351.55	8.48	-103.76
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000307677	1	42	-2.0	-108.61	360.82	8.98	-99.63
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000307679	1	39	-2.0	-96.44	353.33	8.94	-87.50
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000307680	1	39	-2.0	-104.38	357.76	8.75	-95.63
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000307681	0	40	-2.0	-106.42	354.67	8.00	-98.42
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000307683	1	39	-2.0	-101.28	360.28	8.86	-92.42
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000307684	1	39	-2.0	-94.51	342.55	8.33	-86.18
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1[N+](=O)[O-]	REAL300000307686	0	38	-2.0	-114.58	350.26	9.65	-104.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1F	REAL300000307687	0	36	-2.0	-111.45	330.20	7.82	-103.63
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000307688	1	39	-2.0	-99.52	351.48	8.47	-91.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC2=CC=CC=C21	REAL300000307689	1	42	-2.0	-115.04	367.58	9.91	-105.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000307690	0	35	-2.0	-104.54	322.76	5.91	-98.63
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000307691	0	40	-2.0	-98.47	354.74	7.58	-90.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C(Cl)O1	REAL300000307692	0	33	-2.0	-94.37	326.69	6.76	-87.61
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4C=CC=C4)=C3)C=C2)CC1	REAL300000307693	1	43	-2.0	-100.65	372.66	9.67	-90.98
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4C=CC=C4)=C3)C=C2C1	REAL300000307694	1	43	-2.0	-105.08	371.98	9.67	-95.41
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000307695	0	39	-2.0	-100.02	348.67	7.77	-92.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=NN=N2)C(C)=C1	REAL300000307699	0	40	-2.0	-105.62	357.70	5.70	-99.92
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1N1C=NN=N1	REAL300000307702	0	36	-2.0	-96.51	342.63	6.48	-90.03
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1N1C=NN=N1	REAL300000307705	0	36	-2.0	-97.77	335.04	5.97	-91.80
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1N1C=NN=N1	REAL300000307707	0	33	-2.0	-95.76	322.75	4.92	-90.84
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1N1C=NN=N1	REAL300000307710	1	37	-2.0	-99.44	336.18	5.26	-94.18
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C=NN=N3)C(C)=C2)=C1	REAL300000307712	0	36	-2.0	-92.10	338.69	5.59	-86.51
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1N1C=NN=N1	REAL300000307714	1	33	-2.0	-97.11	321.19	4.95	-92.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=NN=N3)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000307718	0	36	-2.0	-94.92	337.83	5.30	-89.62
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=NN=N3)C(C)=C2)=C1	REAL300000307719	0	40	-2.0	-102.03	358.55	4.99	-97.04
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1N1C=NN=N1	REAL300000307720	1	39	-2.0	-93.00	350.28	6.72	-86.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=NN=N3)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000307721	1	36	-2.0	-98.62	338.17	5.80	-92.82
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1N1C=NN=N1	REAL300000307722	1	36	-2.0	-87.23	342.61	6.47	-80.76
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1N1C=NN=N1	REAL300000307724	0	33	-2.0	-90.73	327.09	5.28	-85.45
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1N1C=NN=N1	REAL300000307725	1	36	-2.0	-92.23	335.95	5.98	-86.25
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1N1C=NN=N1	REAL300000307726	0	39	-2.0	-98.99	355.32	6.61	-92.38
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1N1C=NN=N1	REAL300000307727	0	36	-2.0	-88.80	335.02	5.98	-82.82
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1N1C=NN=N1	REAL300000307730	0	37	-2.0	-100.76	328.29	4.51	-96.25
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1N1C=NN=N1	REAL300000307730	1	37	-2.0	-100.54	339.28	3.62	-96.92
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1N1C=NN=N1	REAL300000307736	0	36	-2.0	-89.96	341.32	6.03	-83.93
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3C=NN=N3)C(C)=C2)C=C1C(=O)[O-]	REAL300000307738	0	39	-2.0	-100.07	355.20	6.61	-93.46
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=NN=N3)C(C)=C2)=C1	REAL300000307739	0	39	-2.0	-105.65	354.60	6.60	-99.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=NN=N3)C(C)=C2)C=C1C(=O)[O-]	REAL300000307741	1	40	-2.0	-100.78	357.54	6.12	-94.66
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1N1C=NN=N1	REAL300000307744	0	36	-2.0	-104.99	333.23	5.94	-99.05
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1N1C=NN=N1	REAL300000307746	0	35	-2.0	-98.51	325.79	4.03	-94.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=NN=N2)C(C)=C1	REAL300000307747	1	40	-2.0	-93.31	357.76	5.70	-87.61
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1N1C=NN=N1	REAL300000307748	0	33	-2.0	-89.06	334.97	5.13	-83.93
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=NN=N3)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000307751	0	39	-2.0	-94.75	356.96	6.15	-88.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=CC=C1F	REAL300000307752	1	34	-2.0	-112.88	320.94	7.95	-104.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1	REAL300000307753	1	34	-2.0	-102.85	316.38	7.93	-94.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307754	0	34	-2.0	-115.63	316.41	7.91	-107.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC=N1	REAL300000307755	0	38	-2.0	-120.10	344.55	7.71	-112.39
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1	REAL300000307756	0	38	-2.0	-101.45	347.85	9.22	-92.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000307757	1	37	-2.0	-116.89	332.42	8.44	-108.45
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307758	0	34	-2.0	-110.15	329.48	8.49	-101.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=CC=C1Cl	REAL300000307759	0	34	-2.0	-111.40	328.91	8.31	-103.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1C	REAL300000307760	0	40	-2.0	-117.30	348.80	9.23	-108.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307761	0	34	-2.0	-112.77	321.87	7.98	-104.79
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1	REAL300000307762	0	40	-2.0	-100.77	359.97	9.50	-91.27
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307763	0	31	-2.0	-110.13	309.59	6.94	-103.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC=N1	REAL300000307764	0	37	-2.0	-115.30	331.84	8.70	-106.60
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1	REAL300000307765	1	38	-2.0	-100.16	347.47	8.20	-91.96
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000307766	0	35	-2.0	-113.79	323.05	7.26	-106.53
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC=N1	REAL300000307767	1	38	-2.0	-115.83	340.19	6.75	-109.08
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307768	0	34	-2.0	-106.09	325.51	7.60	-98.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000307769	1	40	-2.0	-116.60	347.85	9.23	-107.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=CS1	REAL300000307770	0	31	-2.0	-111.28	308.05	6.96	-104.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000307771	1	38	-2.0	-121.52	343.69	7.98	-113.54
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307772	0	44	-2.0	-119.31	371.64	10.55	-108.76
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC=N1	REAL300000307773	0	43	-2.0	-116.51	368.66	9.98	-106.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC=N1	REAL300000307774	0	40	-2.0	-112.45	341.42	9.77	-102.68
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC=N1	REAL300000307775	0	41	-2.0	-119.32	366.83	8.48	-110.84
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307776	0	36	-3.0	-194.51	344.81	8.49	-186.02
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307776	1	37	-2.0	-113.41	342.94	8.57	-104.84
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307777	0	41	-2.0	-119.85	360.65	9.81	-110.04
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C(C(=O)[O-])O1	REAL300000307778	0	34	-2.0	-108.78	319.41	7.05	-101.73
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307779	0	38	-2.0	-116.60	345.32	7.00	-109.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C(Cl)C=C1F	REAL300000307780	0	34	-2.0	-106.79	333.99	8.52	-98.27
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=CC=C1OCC(=O)[O-]	REAL300000307781	1	41	-2.0	-100.62	367.56	8.89	-91.73
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC=N1	REAL300000307782	0	37	-2.0	-106.54	336.70	8.74	-97.80
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1F	REAL300000307783	0	38	-2.0	-99.61	353.70	8.25	-91.36
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000307784	1	41	-2.0	-122.10	365.54	8.90	-113.20
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C(C(=O)[O-])S1	REAL300000307785	0	34	-2.0	-111.75	326.10	7.81	-103.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C(Cl)=C1	REAL300000307786	0	34	-2.0	-99.64	329.46	8.48	-91.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1F	REAL300000307787	0	34	-2.0	-102.32	320.92	7.95	-94.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)S1	REAL300000307788	0	31	-2.0	-104.85	308.66	7.04	-97.81
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307789	0	34	-2.0	-106.63	322.82	7.97	-98.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1F	REAL300000307790	0	37	-2.0	-114.38	342.16	8.62	-105.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C(F)=C1	REAL300000307791	0	34	-2.0	-102.50	321.87	7.99	-94.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1Cl	REAL300000307792	0	34	-2.0	-100.32	328.89	8.31	-92.01
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC=N1	REAL300000307793	0	37	-2.0	-108.11	345.44	9.15	-98.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=CC(F)=C1F	REAL300000307794	0	34	-2.0	-104.61	327.23	8.01	-96.60
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307795	0	36	-2.0	-100.73	344.59	8.58	-92.15
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307796	0	35	-2.0	-113.81	326.12	5.63	-108.18
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1	REAL300000307797	0	37	-2.0	-106.01	338.57	8.70	-97.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=CC(Cl)=C1F	REAL300000307798	0	34	-2.0	-106.00	337.12	8.45	-97.55
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC=N1	REAL300000307799	1	37	-2.0	-111.54	326.44	8.55	-102.99
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=CC(C(=O)[O-])=C1F	REAL300000307800	1	37	-2.0	-114.37	341.25	8.55	-105.82
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC=N1	REAL300000307801	1	37	-2.0	-102.33	331.82	8.69	-93.64
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=CC(C(=O)[O-])=C1C	REAL300000307802	1	40	-2.0	-119.02	349.28	8.97	-110.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=CC=C1[N+](=O)[O-]	REAL300000307803	0	36	-2.0	-113.49	342.96	9.00	-104.49
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307804	0	34	-2.0	-104.66	328.14	8.04	-96.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C(C)=C1C(=O)[O-]	REAL300000307805	1	40	-2.0	-116.02	349.94	9.33	-106.69
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000307806	0	37	-2.0	-115.16	341.72	8.61	-106.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1Cl	REAL300000307807	0	37	-2.0	-112.04	348.17	9.06	-102.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307808	0	37	-2.0	-120.95	341.44	8.60	-112.35
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000307809	1	40	-2.0	-117.60	350.73	9.10	-108.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1CC(=O)[O-]	REAL300000307810	1	41	-2.0	-117.96	366.88	8.03	-109.93
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC=N1	REAL300000307811	0	37	-2.0	-104.98	342.67	9.10	-95.88
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=CC(C(=O)[O-])=C1Cl	REAL300000307812	0	37	-2.0	-113.31	347.64	8.87	-104.44
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000307813	0	38	-2.0	-115.10	344.43	8.13	-106.97
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000307814	0	37	-2.0	-110.24	350.17	8.97	-101.27
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=CC=C1C(=O)[O-]	REAL300000307815	1	37	-2.0	-103.08	332.41	8.46	-94.62
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC=N1	REAL300000307816	1	37	-2.0	-112.76	335.93	8.75	-104.01
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1[N+](=O)[O-]	REAL300000307817	0	36	-2.0	-121.73	340.14	9.76	-111.97
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1F	REAL300000307818	0	34	-2.0	-119.93	320.03	7.94	-111.99
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000307819	0	37	-2.0	-108.55	341.36	8.58	-99.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=CC2=CC=CC=C21	REAL300000307820	0	40	-2.0	-124.12	357.44	10.03	-114.09
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C1	REAL300000307821	0	33	-2.0	-112.16	313.39	5.98	-106.18
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC=N1	REAL300000307822	0	38	-2.0	-106.43	344.61	7.71	-98.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)=C(Cl)O1	REAL300000307823	0	31	-2.0	-103.12	316.51	6.89	-96.23
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3N3C=NC=N3)C=C2)CC1	REAL300000307824	0	41	-2.0	-108.85	362.53	9.80	-99.05
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3N3C=NC=N3)C=C2C1	REAL300000307825	0	41	-2.0	-103.63	361.49	9.79	-93.84
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC=N2)C=C(C(=O)[O-])O1	REAL300000307826	0	37	-2.0	-107.49	334.07	8.05	-99.44
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)C=C1	REAL300000307830	0	46	-2.0	-112.83	387.89	6.99	-105.84
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000307833	0	42	-2.0	-103.05	373.39	7.79	-95.26
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000307836	0	42	-2.0	-104.60	365.80	7.28	-97.32
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000307838	0	39	-2.0	-101.34	352.93	6.21	-95.13
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000307841	1	43	-2.0	-105.79	366.40	6.55	-99.24
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000307843	0	42	-2.0	-97.62	368.86	6.87	-90.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=CS1	REAL300000307845	1	39	-2.0	-102.67	351.97	6.25	-96.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000307848	0	42	-2.0	-101.21	363.33	6.35	-94.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000307849	0	46	-2.0	-108.34	388.73	6.28	-102.06
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)C=C1	REAL300000307850	1	45	-2.0	-99.12	380.46	8.00	-91.12
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C=C(C(=O)[O-])S1	REAL300000307851	1	42	-2.0	-104.67	368.35	7.08	-97.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C(Cl)=C1	REAL300000307852	1	42	-2.0	-92.18	373.37	7.78	-84.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)S1	REAL300000307854	0	39	-2.0	-96.36	352.02	6.32	-90.04
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000307855	1	42	-2.0	-97.92	366.72	7.29	-90.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1F	REAL300000307856	0	45	-2.0	-105.98	386.08	7.92	-98.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C(F)=C1	REAL300000307857	0	42	-2.0	-93.89	365.78	7.29	-86.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=CC(F)=C1F	REAL300000307859	1	42	-2.0	-96.22	370.58	7.29	-88.93
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000307860	0	43	-2.0	-107.25	369.47	4.91	-102.34
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000307860	1	43	-2.0	-104.97	368.75	5.70	-99.27
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000307866	0	42	-2.0	-96.09	372.07	7.34	-88.75
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000307868	0	45	-2.0	-105.71	381.82	7.81	-97.90
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000307869	0	45	-2.0	-111.64	385.33	7.91	-103.73
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000307871	1	46	-2.0	-107.07	387.77	7.40	-99.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1F	REAL300000307874	0	42	-2.0	-111.07	363.41	7.23	-103.84
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000307876	0	41	-2.0	-104.70	356.53	5.33	-99.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)C=C1	REAL300000307877	0	46	-2.0	-99.12	387.96	6.99	-92.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C(Cl)O1	REAL300000307878	0	39	-2.0	-94.91	360.47	6.19	-88.72
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000307879	0	45	-2.0	-101.20	382.45	7.20	-94.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=CC=C1F	REAL300000307880	1	42	-2.0	-105.29	364.29	7.23	-98.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1	REAL300000307881	1	42	-2.0	-95.29	359.75	7.21	-88.08
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C1	REAL300000307882	1	42	-2.0	-109.37	360.38	7.22	-102.15
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCCC2)=C1	REAL300000307883	0	46	-2.0	-113.51	387.90	7.00	-106.51
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1	REAL300000307884	1	46	-2.0	-94.95	391.22	8.50	-86.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000307885	1	45	-2.0	-109.10	375.88	7.76	-101.34
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C1	REAL300000307886	0	42	-2.0	-104.42	373.45	7.79	-96.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=CC=C1Cl	REAL300000307887	1	42	-2.0	-103.65	372.27	7.59	-96.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C1C	REAL300000307888	1	48	-2.0	-110.98	392.43	8.56	-102.42
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C1	REAL300000307889	0	42	-2.0	-106.14	365.86	7.29	-98.85
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1	REAL300000307890	1	48	-2.0	-95.52	403.94	8.81	-86.71
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C1	REAL300000307891	0	39	-2.0	-103.51	353.56	6.24	-97.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCCC2)=C1	REAL300000307892	1	45	-2.0	-108.80	375.18	7.98	-100.82
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1	REAL300000307893	1	46	-2.0	-93.68	390.83	7.48	-86.20
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000307894	0	43	-2.0	-106.47	366.40	6.56	-99.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C1	REAL300000307896	0	42	-2.0	-100.01	368.84	6.89	-93.12
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000307897	1	48	-2.0	-110.53	390.86	8.55	-101.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=CS1	REAL300000307898	0	39	-2.0	-104.99	352.03	6.25	-98.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000307899	1	46	-2.0	-114.01	387.04	7.27	-106.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCCC2)=C1	REAL300000307900	1	48	-2.0	-107.76	390.53	8.94	-98.82
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C(C(=O)[O-])O1	REAL300000307901	0	42	-2.0	-101.63	362.77	6.34	-95.29
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C1	REAL300000307902	0	46	-2.0	-111.04	388.73	6.29	-104.75
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCCC2)=C1	REAL300000307903	1	45	-2.0	-99.25	380.46	8.02	-91.23
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C(C(=O)[O-])S1	REAL300000307904	0	42	-2.0	-106.05	368.98	7.11	-98.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C(Cl)=C1	REAL300000307905	0	42	-2.0	-94.56	372.80	7.76	-86.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1F	REAL300000307906	1	42	-2.0	-94.74	364.28	7.24	-87.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)S1	REAL300000307907	0	39	-2.0	-96.96	352.02	6.32	-90.64
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C1	REAL300000307908	1	42	-2.0	-98.85	366.16	7.27	-91.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C1F	REAL300000307909	0	45	-2.0	-107.85	385.49	7.90	-99.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C(F)=C1	REAL300000307910	0	42	-2.0	-96.57	365.21	7.27	-89.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1Cl	REAL300000307911	1	42	-2.0	-92.78	372.25	7.60	-85.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=CC(F)=C1F	REAL300000307912	1	42	-2.0	-98.52	370.55	7.29	-91.23
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C1	REAL300000307913	0	43	-2.0	-108.20	370.09	4.94	-103.26
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(OC3CCCC3)=C2)=C1	REAL300000307913	1	43	-2.0	-106.35	369.16	5.71	-100.64
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1	REAL300000307914	1	45	-2.0	-99.95	382.55	8.01	-91.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCCC2)=C1	REAL300000307915	1	45	-2.0	-106.24	370.66	7.87	-98.37
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=CC(C(=O)[O-])=C1F	REAL300000307916	1	45	-2.0	-108.30	384.56	7.85	-100.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCCC2)=C1	REAL300000307917	1	45	-2.0	-97.03	375.16	7.97	-89.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=CC(C(=O)[O-])=C1C	REAL300000307918	1	48	-2.0	-114.36	396.47	8.37	-105.99
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C1	REAL300000307919	0	42	-2.0	-98.08	371.48	7.33	-90.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C(C)=C1C(=O)[O-]	REAL300000307920	1	48	-2.0	-108.76	393.22	8.61	-100.15
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000307921	0	45	-2.0	-107.56	385.23	7.91	-99.65
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C1	REAL300000307922	0	45	-2.0	-113.15	384.79	7.89	-105.26
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000307923	1	48	-2.0	-111.12	394.33	8.41	-102.71
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000307924	0	46	-2.0	-107.78	387.76	7.42	-100.36
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=CC=C1C(=O)[O-]	REAL300000307925	1	45	-2.0	-97.00	376.42	7.77	-89.23
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCCC2)=C1	REAL300000307926	1	45	-2.0	-106.33	379.29	8.04	-98.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C1F	REAL300000307927	0	42	-2.0	-112.40	363.41	7.24	-105.16
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000307928	1	45	-2.0	-102.42	384.86	7.88	-94.54
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C1	REAL300000307929	0	41	-2.0	-105.89	355.97	5.34	-100.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCCC2)=C1	REAL300000307930	0	46	-2.0	-101.33	387.95	7.00	-94.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)=C(Cl)O1	REAL300000307931	0	39	-2.0	-95.44	359.90	6.18	-89.26
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCCC3)=C2)C=C(C(=O)[O-])O1	REAL300000307932	0	45	-2.0	-101.43	381.89	7.19	-94.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(N)=O)C=C1	REAL300000307936	0	40	-2.0	-116.09	361.93	2.21	-113.88
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000307939	0	36	-2.0	-111.11	346.86	2.98	-108.13
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000307942	0	36	-2.0	-112.67	339.26	2.47	-110.20
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000307944	0	33	-2.0	-109.12	326.97	1.42	-107.70
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000307947	1	37	-2.0	-109.60	340.44	1.76	-107.84
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCC(N)=O)C=C2)=C1	REAL300000307949	0	36	-2.0	-105.27	342.92	2.10	-103.17
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000307951	1	33	-2.0	-110.53	325.44	1.44	-109.09
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(N)=O)C=C1	REAL300000307955	0	43	-2.0	-116.80	384.22	2.97	-113.83
NC(=O)COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000307956	0	39	-2.0	-118.36	364.89	2.93	-115.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000307958	0	36	-2.0	-105.11	336.82	1.55	-103.56
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCC(N)=O)C=C2)=C1	REAL300000307959	0	40	-2.0	-115.62	362.75	1.50	-114.12
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(N)=O)C=C1	REAL300000307961	1	39	-2.0	-102.62	354.49	3.23	-99.39
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(N)=O)C=C2)C=C(C(=O)[O-])S1	REAL300000307964	1	36	-2.0	-108.39	342.41	2.29	-106.10
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000307965	1	36	-2.0	-99.86	346.84	2.97	-96.89
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000307967	0	33	-2.0	-100.63	326.05	1.53	-99.10
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000307968	1	36	-2.0	-105.66	340.19	2.48	-103.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCC(N)=O)C=C2)=C1F	REAL300000307969	0	39	-2.0	-114.10	359.54	3.11	-110.99
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000307970	0	36	-2.0	-101.63	339.25	2.48	-99.15
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000307973	1	36	-2.0	-103.82	344.61	2.50	-101.32
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000307974	1	38	-2.0	-99.78	361.98	3.08	-96.70
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000307975	0	37	-2.0	-110.59	343.49	0.12	-110.47
NC(=O)COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000307975	1	37	-2.0	-114.44	342.69	0.92	-113.52
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000307981	1	38	-2.0	-109.85	360.36	3.49	-106.36
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000307982	0	36	-2.0	-104.08	345.54	2.54	-101.54
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000307984	0	39	-2.0	-113.71	355.26	3.01	-110.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCC(N)=O)C=C2)=C1Cl	REAL300000307985	0	39	-2.0	-112.84	365.55	3.55	-109.29
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC(N)=O)C=C2)=C1	REAL300000307986	0	39	-2.0	-118.76	358.80	3.10	-115.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000307991	1	40	-2.0	-110.88	361.81	2.63	-108.25
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000307995	0	38	-2.0	-118.47	357.54	4.27	-114.20
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000307996	0	36	-2.0	-115.42	337.44	2.43	-112.99
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(OCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000307997	1	39	-2.0	-107.41	358.72	3.09	-104.32
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000307998	0	35	-2.0	-112.40	330.00	0.52	-111.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC(N)=O)C=C1	REAL300000307999	0	40	-2.0	-103.12	361.99	2.20	-100.92
NC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000308000	0	33	-2.0	-99.10	333.94	1.38	-97.72
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000308003	0	39	-2.0	-104.98	355.91	2.41	-102.57
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000308005	1	41	-2.0	-105.85	374.68	7.26	-98.59
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000308007	0	38	-2.0	-100.09	367.86	6.28	-93.81
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000308009	1	42	-2.0	-104.18	381.32	6.62	-97.56
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000308010	1	38	-2.0	-101.54	366.33	6.30	-95.24
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000308011	0	41	-2.0	-100.37	377.68	6.41	-93.96
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000308012	0	38	-2.0	-95.16	366.95	6.40	-88.76
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000308013	0	42	-2.0	-106.80	384.39	4.97	-101.83
CC(C)COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000308013	1	42	-2.0	-106.12	383.56	5.77	-100.35
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000308014	1	44	-2.0	-97.06	396.85	8.05	-89.01
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000308018	0	40	-2.0	-99.67	371.66	5.32	-94.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCC3=CC=CC=C32)C=C1	REAL300000308019	1	44	-2.0	-99.20	387.53	9.86	-89.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCC3=CC=CC=C32)=C1	REAL300000308020	1	44	-2.0	-113.50	387.55	9.85	-103.65
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000308021	0	45	-2.0	-111.40	394.20	9.20	-102.20
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000308022	0	44	-2.0	-106.55	390.56	8.99	-97.56
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCC3=CC=CC=C32)=C1	REAL300000308023	0	43	-2.0	-110.32	383.76	7.97	-102.35
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000308024	1	38	-2.0	-119.94	346.56	4.06	-115.88
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000308025	1	38	-2.0	-109.58	341.99	4.04	-105.54
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000308026	1	38	-2.0	-123.17	342.02	4.03	-119.14
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000308027	0	42	-2.0	-130.31	370.16	3.84	-126.47
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000308028	1	42	-2.0	-108.84	373.47	5.33	-103.51
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000308029	1	41	-2.0	-124.39	358.03	4.57	-119.82
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000308030	1	44	-2.0	-127.73	374.68	5.39	-122.34
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000308031	0	38	-2.0	-121.68	347.49	4.10	-117.58
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000308032	1	44	-2.0	-108.54	385.58	5.62	-102.92
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000308033	0	35	-2.0	-117.02	335.20	3.05	-113.97
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000308034	1	41	-2.0	-125.50	357.45	4.82	-120.68
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000308036	0	39	-2.0	-121.17	348.66	3.38	-117.79
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000308038	0	38	-2.0	-112.87	351.12	3.72	-109.15
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000308040	0	35	-2.0	-118.39	333.67	3.07	-115.32
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000308042	1	47	-2.0	-127.97	395.91	6.06	-121.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)NC)=CC=C1C	REAL300000308043	1	44	-2.0	-123.92	371.47	5.74	-118.18
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000308044	0	45	-2.0	-129.60	392.45	4.61	-124.99
CNC(=O)C1=CC=C(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000308045	0	41	-2.0	-121.81	368.95	4.54	-117.27
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000308045	1	40	-3.0	-200.05	370.42	4.61	-195.44
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000308046	1	45	-2.0	-130.12	386.26	5.93	-124.19
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000308047	0	38	-2.0	-117.37	345.02	3.18	-114.19
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000308048	0	42	-2.0	-122.51	370.93	3.13	-119.38
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000308050	1	41	-2.0	-115.18	362.72	4.86	-110.32
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000308051	1	42	-2.0	-106.63	379.32	4.38	-102.25
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000308053	0	38	-2.0	-121.13	351.71	3.94	-117.19
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000308054	0	38	-2.0	-106.83	355.06	4.60	-102.23
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000308055	1	38	-2.0	-108.71	346.54	4.07	-104.64
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000308056	0	35	-2.0	-111.57	334.28	3.15	-108.42
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000308057	1	38	-2.0	-113.46	348.43	4.10	-109.36
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000308058	0	41	-2.0	-123.24	367.76	4.74	-118.50
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000308059	0	38	-2.0	-109.03	347.47	4.11	-104.92
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000308060	1	38	-2.0	-107.00	354.51	4.44	-102.56
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000308061	1	41	-2.0	-117.09	371.46	5.25	-111.84
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000308062	0	40	-2.0	-107.33	370.21	4.71	-102.62
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000308063	0	39	-2.0	-124.82	351.73	1.74	-123.08
CNC(=O)C1=CC=C(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000308063	1	39	-2.0	-123.02	349.15	2.56	-120.46
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000308064	1	41	-2.0	-114.44	364.19	4.83	-109.61
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000308065	1	41	-2.0	-117.84	352.05	4.67	-113.17
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000308066	1	41	-2.0	-121.44	366.85	4.70	-116.74
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000308068	1	44	-2.0	-126.58	375.48	5.12	-121.46
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000308069	0	40	-2.0	-120.10	368.59	5.12	-114.98
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000308070	0	38	-2.0	-112.51	353.75	4.17	-108.34
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000308072	0	41	-2.0	-124.22	367.33	4.73	-119.49
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000308073	0	41	-2.0	-121.50	373.80	5.18	-116.32
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000308074	0	41	-2.0	-126.81	367.06	4.73	-122.08
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)NC)=CC=C2C)C=C1C(=O)[O-]	REAL300000308075	1	44	-2.0	-125.22	376.34	5.22	-120.00
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000308077	1	41	-2.0	-111.15	368.28	5.22	-105.93
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000308078	1	41	-2.0	-120.58	373.24	5.00	-115.58
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)NC)=CC=C2C)C=C1C(=O)[O-]	REAL300000308079	0	42	-2.0	-122.52	369.96	4.24	-118.28
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000308080	1	41	-2.0	-116.31	371.88	5.01	-111.30
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000308081	1	41	-2.0	-109.80	358.02	4.59	-105.21
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000308082	1	41	-2.0	-122.55	361.55	4.87	-117.68
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000308083	0	40	-2.0	-128.84	365.74	5.89	-122.95
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000308084	0	38	-2.0	-125.90	345.65	4.07	-121.83
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000308085	1	41	-2.0	-114.51	363.18	4.61	-109.90
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000308086	1	44	-2.0	-131.68	383.06	6.15	-125.53
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000308087	0	37	-2.0	-122.12	338.99	2.10	-120.02
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000308088	0	42	-2.0	-114.31	370.21	3.84	-110.47
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000308089	0	35	-2.0	-110.43	342.11	3.03	-107.40
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000308090	1	45	-2.0	-117.14	388.14	5.92	-111.22
CNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000308091	1	45	-2.0	-118.34	386.10	5.91	-112.43
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)NC)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000308092	0	41	-2.0	-117.36	364.13	4.03	-113.33
COC1=CC=CC2=C1N(S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)CCC2	REAL300000308116	0	42	-2.0	-114.53	356.06	8.79	-105.74
COC1=CC=CC2=C1N(S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])CCC2	REAL300000308136	0	40	-2.0	-112.53	326.83	6.05	-106.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)=CC=C1F	REAL300000308167	1	42	-2.0	-120.74	377.65	6.81	-113.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)C=C1	REAL300000308168	1	42	-2.0	-110.23	373.11	6.79	-103.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)=C1	REAL300000308169	1	42	-2.0	-123.05	373.11	6.77	-116.28
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)=C1	REAL300000308171	0	42	-2.0	-119.69	378.59	6.83	-112.86
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)=C1	REAL300000308172	0	39	-2.0	-117.10	366.29	5.79	-111.31
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CN2CCCC2=O)=C1	REAL300000308173	1	45	-2.0	-122.28	388.54	7.56	-114.72
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)C=C1C(=O)[O-]	REAL300000308174	1	43	-2.0	-121.43	379.76	6.12	-115.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)=C1	REAL300000308175	0	42	-2.0	-113.57	382.22	6.45	-107.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)=CS1	REAL300000308176	0	39	-2.0	-106.39	364.76	5.81	-100.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000308177	0	42	-2.0	-115.35	376.14	5.91	-109.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)C=C(C(=O)[O-])S1	REAL300000308178	1	42	-2.0	-118.53	382.80	6.66	-111.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)C=C1F	REAL300000308179	1	42	-2.0	-109.38	377.63	6.82	-102.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)S1	REAL300000308180	0	39	-2.0	-112.11	365.38	5.90	-106.21
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)=C1	REAL300000308181	1	42	-2.0	-113.62	379.52	6.85	-106.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)C(F)=C1	REAL300000308182	0	42	-2.0	-110.19	378.57	6.85	-103.34
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)=C1	REAL300000308183	0	43	-2.0	-120.43	382.81	4.48	-115.95
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(CN3CCCC3=O)=C2)=C1	REAL300000308183	1	43	-2.0	-117.70	381.91	5.36	-112.34
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)C=C1	REAL300000308184	1	45	-2.0	-113.06	395.30	7.55	-105.51
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CN2CCCC2=O)=C1	REAL300000308185	1	45	-2.0	-121.06	383.18	7.42	-113.64
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)C=C1C(=O)[O-]	REAL300000308187	0	46	-2.0	-123.37	401.24	6.99	-116.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)=C1F	REAL300000308189	0	42	-2.0	-129.77	376.77	6.81	-122.96
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)=C1	REAL300000308190	0	41	-2.0	-118.93	370.09	4.83	-114.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)=C(Cl)O1	REAL300000308191	0	39	-2.0	-109.71	373.26	5.75	-103.96
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000308192	0	45	-2.0	-105.09	395.24	6.76	-98.33
O=C([O-])C1=CC(S(=O)(=O)N2CCCC3=CC(F)=C(F)C=C32)=CC(C(=O)[O-])=C1	REAL300000308216	0	38	-2.0	-116.50	342.85	8.15	-108.35
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=CC(F)=C(F)C=C32)=C1	REAL300000308233	0	36	-2.0	-112.51	324.90	6.37	-106.14
NC(=O)CCN(C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000308281	0	41	-2.0	-116.91	377.57	4.72	-112.19
NC(=O)CCN(C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000308300	0	39	-2.0	-118.35	339.03	2.52	-115.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C(=O)CNC3=O)=C2)C=C1	REAL300000308330	1	40	-2.0	-105.33	368.46	3.63	-101.70
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C(=O)CNC3=O)=C2)=C1	REAL300000308331	1	40	-2.0	-117.91	368.48	3.62	-114.29
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(CN3C(=O)CNC3=O)=C2)=C1	REAL300000308332	0	37	-2.0	-112.10	361.67	2.64	-109.46
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CN3C(=O)CNC3=O)=C2)C=C1C(=O)[O-]	REAL300000308333	1	41	-2.0	-116.36	375.13	2.97	-113.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C(=O)CNC3=O)=C2)=CS1	REAL300000308334	0	37	-2.0	-113.54	360.13	2.66	-110.88
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3C(=O)CNC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000308335	0	40	-2.0	-111.18	371.49	2.76	-108.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C(=O)CNC3=O)=C2)S1	REAL300000308336	0	37	-2.0	-107.02	360.75	2.76	-104.26
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CN3C(=O)CNC3=O)=C2)=C1	REAL300000308337	0	39	-2.0	-112.53	365.46	1.68	-110.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=CC=C1F	REAL300000308338	1	35	-2.0	-114.56	329.13	5.08	-109.48
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC=C2)=C1	REAL300000308339	0	43	-2.0	-114.81	384.14	6.14	-108.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1	REAL300000308340	1	35	-2.0	-104.41	324.56	5.05	-99.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308341	1	35	-2.0	-117.22	324.58	5.04	-112.18
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC=C2)=C1	REAL300000308342	0	39	-2.0	-122.11	352.67	4.84	-117.27
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1	REAL300000308343	1	39	-2.0	-103.56	356.05	6.34	-97.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1C(=O)[O-]	REAL300000308344	1	38	-2.0	-118.61	340.60	5.58	-113.03
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308345	0	35	-2.0	-111.98	337.65	5.62	-106.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=CC=C1Cl	REAL300000308346	1	35	-2.0	-113.00	337.11	5.44	-107.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1C	REAL300000308347	1	41	-2.0	-119.31	357.20	6.40	-112.91
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308348	0	35	-2.0	-113.95	330.05	5.11	-108.84
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1	REAL300000308349	1	41	-2.0	-102.75	368.14	6.64	-96.11
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308350	0	32	-2.0	-111.40	317.71	4.06	-107.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC=C2)=C1	REAL300000308351	1	38	-2.0	-117.18	339.96	5.83	-111.35
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1C(=O)[O-]	REAL300000308353	0	36	-2.0	-115.64	331.23	4.39	-111.25
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308355	0	35	-2.0	-107.47	333.64	4.73	-102.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=CS1	REAL300000308357	0	32	-2.0	-112.82	316.23	4.08	-108.74
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308359	1	45	-2.0	-121.18	379.78	7.66	-113.52
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC=C2)=C1	REAL300000308360	1	44	-2.0	-119.32	378.43	7.05	-112.27
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC=C2)=C1	REAL300000308361	1	41	-2.0	-114.98	354.73	6.76	-108.22
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC=C2)=C1	REAL300000308362	0	42	-2.0	-121.49	374.95	5.60	-115.89
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308363	0	38	-2.0	-115.29	355.46	5.61	-109.68
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308363	1	37	-3.0	-194.53	352.99	5.61	-188.92
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308364	1	42	-2.0	-121.45	368.82	6.94	-114.51
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000308365	0	35	-2.0	-110.12	327.59	4.18	-105.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308366	0	39	-2.0	-118.61	353.56	4.13	-114.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C(Cl)C=C1F	REAL300000308368	0	35	-2.0	-108.43	342.17	5.64	-102.79
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC=C2)=C1	REAL300000308370	1	38	-2.0	-107.62	345.23	5.86	-101.76
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1F	REAL300000308371	1	39	-2.0	-101.64	361.88	5.39	-96.25
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C(C(=O)[O-])S1	REAL300000308373	0	35	-2.0	-113.48	333.18	4.94	-108.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C(Cl)=C1	REAL300000308374	0	35	-2.0	-101.85	337.63	5.61	-96.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1F	REAL300000308375	1	35	-2.0	-103.76	329.11	5.09	-98.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)S1	REAL300000308376	0	32	-2.0	-106.15	316.85	4.18	-101.97
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308377	1	35	-2.0	-107.84	330.98	5.11	-102.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1F	REAL300000308378	0	38	-2.0	-115.41	350.34	5.75	-109.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C(F)=C1	REAL300000308379	0	35	-2.0	-104.06	330.04	5.12	-98.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1Cl	REAL300000308380	1	35	-2.0	-101.85	337.08	5.45	-96.40
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC=C2)=C1	REAL300000308381	1	38	-2.0	-109.32	353.97	6.26	-103.06
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1	REAL300000308382	1	43	-2.0	-100.11	388.33	6.46	-93.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=CC(F)=C1F	REAL300000308383	1	35	-2.0	-105.90	335.40	5.14	-100.76
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308384	0	37	-2.0	-101.87	352.77	5.71	-96.16
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308385	0	36	-2.0	-115.65	334.23	2.76	-112.89
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308385	1	36	-2.0	-111.44	323.31	3.64	-107.80
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1	REAL300000308386	1	38	-2.0	-107.46	346.74	5.83	-101.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=CC(Cl)=C1F	REAL300000308387	1	35	-2.0	-107.36	345.28	5.58	-101.78
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC=C2)=C1	REAL300000308388	1	38	-2.0	-114.12	334.65	5.68	-108.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=CC(C(=O)[O-])=C1F	REAL300000308389	1	38	-2.0	-115.90	349.41	5.70	-110.20
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=CC(C(=O)[O-])=C1C	REAL300000308391	1	41	-2.0	-120.61	357.47	6.11	-114.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=CC=C1[N+](=O)[O-]	REAL300000308392	0	37	-2.0	-115.12	351.13	6.13	-108.99
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308393	0	35	-2.0	-105.60	336.33	5.17	-100.43
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1C(=O)[O-]	REAL300000308395	0	38	-2.0	-116.36	349.84	5.74	-110.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1Cl	REAL300000308396	0	38	-2.0	-113.78	356.34	6.18	-107.60
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308397	0	38	-2.0	-123.26	349.56	5.74	-117.52
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1C(=O)[O-]	REAL300000308398	1	41	-2.0	-119.45	358.82	6.23	-113.22
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC=C2)=C1	REAL300000308400	1	38	-2.0	-106.98	350.78	6.22	-100.76
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000308401	1	38	-2.0	-114.76	355.80	6.00	-108.76
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1C(=O)[O-]	REAL300000308402	0	39	-2.0	-116.92	352.60	5.26	-111.66
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1C(=O)[O-]	REAL300000308404	1	38	-2.0	-111.85	358.32	6.11	-105.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000308405	1	38	-2.0	-104.59	340.58	5.59	-99.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC=C2)=C1	REAL300000308406	1	38	-2.0	-114.64	344.06	5.89	-108.75
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1[N+](=O)[O-]	REAL300000308407	0	37	-2.0	-125.58	348.25	6.90	-118.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1F	REAL300000308408	0	35	-2.0	-122.37	328.19	5.08	-117.29
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C1C(=O)[O-]	REAL300000308409	1	38	-2.0	-109.95	349.51	5.72	-104.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=CC2=CC=CC=C21	REAL300000308410	1	41	-2.0	-125.88	365.62	7.17	-118.71
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300000308411	0	34	-2.0	-113.45	321.51	3.10	-110.35
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC=C2)=C1	REAL300000308412	0	39	-2.0	-108.73	352.73	4.84	-103.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)=C(Cl)O1	REAL300000308413	0	32	-2.0	-104.22	324.73	4.02	-100.20
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NNC=C4)=C3)C=C2)CC1	REAL300000308414	1	42	-2.0	-110.63	370.70	6.93	-103.70
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NNC=C4)=C3)C=C2C1	REAL300000308415	1	42	-2.0	-115.89	370.02	6.93	-108.96
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000308416	0	38	-2.0	-109.74	346.71	5.03	-104.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=CC=C1F	REAL300000308417	1	37	-2.0	-121.26	338.95	5.10	-116.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1	REAL300000308418	1	37	-2.0	-111.32	334.34	5.08	-106.24
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C1	REAL300000308419	1	37	-2.0	-124.06	334.42	5.07	-118.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCOC2=O)=C1	REAL300000308420	0	41	-2.0	-128.14	362.56	4.86	-123.28
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1	REAL300000308421	1	41	-2.0	-110.13	365.81	6.37	-103.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1C(=O)[O-]	REAL300000308422	1	40	-2.0	-125.41	350.44	5.60	-119.81
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C1	REAL300000308423	0	37	-2.0	-118.11	347.49	5.64	-112.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=CC=C1Cl	REAL300000308424	1	37	-2.0	-119.78	346.92	5.46	-114.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C1C	REAL300000308425	1	43	-2.0	-125.31	367.02	6.43	-118.88
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C1	REAL300000308426	0	37	-2.0	-120.25	339.90	5.13	-115.12
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1	REAL300000308427	1	43	-2.0	-109.12	377.98	6.66	-102.46
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C1	REAL300000308428	0	34	-2.0	-118.31	327.53	4.09	-114.22
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCOC2=O)=C1	REAL300000308429	1	40	-2.0	-123.09	349.85	5.85	-117.24
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1	REAL300000308430	1	41	-2.0	-108.89	365.42	5.35	-103.54
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1C(=O)[O-]	REAL300000308431	0	38	-2.0	-122.53	340.99	4.43	-118.10
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C1	REAL300000308433	0	37	-2.0	-114.31	343.53	4.75	-109.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1C(=O)[O-]	REAL300000308434	1	43	-2.0	-124.48	365.80	6.39	-118.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=CS1	REAL300000308435	0	34	-2.0	-119.69	326.07	4.10	-115.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1C(=O)[O-]	REAL300000308436	1	41	-2.0	-129.96	361.70	5.13	-124.83
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCOC2=O)=C1	REAL300000308437	1	43	-2.0	-120.76	364.56	6.78	-113.98
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000308438	0	37	-2.0	-116.57	337.42	4.20	-112.37
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C1	REAL300000308439	0	41	-2.0	-125.67	363.40	4.16	-121.51
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCOC2=O)=C1	REAL300000308440	1	40	-2.0	-113.87	355.05	5.89	-107.98
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C(C(=O)[O-])S1	REAL300000308441	0	37	-2.0	-119.65	343.02	4.96	-114.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C(Cl)=C1	REAL300000308442	0	37	-2.0	-108.63	347.39	5.64	-102.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1F	REAL300000308443	1	37	-2.0	-110.54	338.93	5.11	-105.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)S1	REAL300000308444	0	34	-2.0	-113.06	326.69	4.20	-108.86
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C1	REAL300000308445	1	37	-2.0	-114.77	340.75	5.14	-109.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C1F	REAL300000308446	0	40	-2.0	-121.76	360.17	5.77	-115.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C(F)=C1	REAL300000308447	0	37	-2.0	-111.09	339.81	5.15	-105.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1Cl	REAL300000308448	1	37	-2.0	-108.73	346.90	5.47	-103.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=CC(F)=C1F	REAL300000308449	1	37	-2.0	-112.65	345.24	5.16	-107.49
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C1	REAL300000308450	0	38	-2.0	-121.28	344.13	2.77	-118.51
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(N3CCOC3=O)=C2)=C1	REAL300000308450	1	38	-2.0	-120.42	343.33	3.58	-116.84
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1	REAL300000308451	1	40	-2.0	-113.72	356.58	5.85	-107.87
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2CCOC2=O)=C1	REAL300000308452	1	40	-2.0	-121.61	344.41	5.71	-115.90
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000308453	1	40	-2.0	-122.78	359.25	5.72	-117.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000308455	1	43	-2.0	-129.05	371.22	6.23	-122.82
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C1	REAL300000308456	0	37	-2.0	-112.14	346.17	5.19	-106.95
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1C(=O)[O-]	REAL300000308458	0	40	-2.0	-121.50	355.89	5.67	-115.83
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C1	REAL300000308459	0	40	-2.0	-131.00	359.38	5.77	-125.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1C(=O)[O-]	REAL300000308460	1	43	-2.0	-126.15	368.35	6.25	-119.90
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1C(=O)[O-]	REAL300000308461	0	41	-2.0	-123.89	362.36	5.30	-118.59
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=CC=C1C(=O)[O-]	REAL300000308462	1	40	-2.0	-111.45	350.42	5.61	-105.84
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCOC2=O)=C1	REAL300000308463	1	40	-2.0	-120.15	354.37	5.89	-114.26
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C1F	REAL300000308464	0	37	-2.0	-130.09	338.03	5.09	-125.00
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C1C(=O)[O-]	REAL300000308465	1	40	-2.0	-116.88	359.35	5.74	-111.14
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C1	REAL300000308466	0	36	-2.0	-122.05	330.56	3.21	-118.84
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2CCOC2=O)=C1	REAL300000308467	0	41	-2.0	-115.54	362.54	4.88	-110.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)=C(Cl)O1	REAL300000308468	0	34	-2.0	-110.83	334.57	4.04	-106.79
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000308469	0	40	-2.0	-115.98	356.55	5.05	-110.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CCCO3)C=C2)=C1	REAL300000308471	1	43	-2.0	-115.92	378.15	5.20	-110.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CCCO3)C=C2)=C1	REAL300000308472	0	40	-2.0	-115.08	371.33	4.21	-110.87
CN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CCCO3)C=C2)C=C1C(=O)[O-]	REAL300000308473	1	44	-2.0	-114.33	384.78	4.56	-109.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CCCO3)C=C2)=CS1	REAL300000308474	0	40	-2.0	-117.60	369.78	4.23	-113.37
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CCCO3)C=C2)C=C(C(=O)[O-])O1	REAL300000308475	0	43	-2.0	-115.31	381.16	4.34	-110.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CCCO3)C=C2)S1	REAL300000308476	0	40	-2.0	-110.44	370.42	4.33	-106.11
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(NC(=O)C3CCCO3)C=C2)=C1	REAL300000308477	0	42	-2.0	-112.52	374.35	3.32	-109.20
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000308508	0	36	-2.0	-110.91	321.77	6.09	-104.82
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCOC3=CC=CC=C32)=C1	REAL300000308539	0	34	-2.0	-107.44	304.13	4.38	-103.06
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000308577	1	41	-2.0	-119.04	366.69	5.40	-113.64
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000308578	1	41	-2.0	-107.74	362.14	5.38	-102.36
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000308579	1	41	-2.0	-119.87	362.15	5.37	-114.50
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)C(C)C)=C1	REAL300000308580	0	45	-2.0	-124.33	389.82	5.16	-119.17
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000308581	1	45	-2.0	-106.77	393.14	6.66	-100.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)C=C1C(=O)[O-]	REAL300000308582	1	44	-2.0	-123.43	377.95	5.92	-117.51
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000308583	0	41	-2.0	-114.63	375.21	5.94	-108.69
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000308584	1	41	-2.0	-117.54	374.66	5.76	-111.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)=C1C	REAL300000308585	1	47	-2.0	-121.47	394.82	6.72	-114.75
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000308586	0	41	-2.0	-116.64	367.15	5.43	-111.21
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000308587	1	47	-2.0	-105.78	405.26	6.94	-98.84
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000308588	0	38	-2.0	-113.79	354.85	4.38	-109.41
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)C(C)C)=C1	REAL300000308589	1	44	-2.0	-119.05	377.10	6.15	-112.90
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000308591	0	42	-2.0	-118.04	368.32	4.72	-113.32
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)=C1	REAL300000308593	0	41	-2.0	-111.28	371.25	5.05	-106.23
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000308595	0	38	-2.0	-105.46	353.07	4.41	-101.05
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)C(C)C)=C1	REAL300000308597	1	47	-2.0	-116.68	391.83	7.09	-109.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000308598	0	41	-2.0	-112.31	364.71	4.50	-107.81
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)=C1	REAL300000308599	0	45	-2.0	-124.71	391.07	4.47	-120.24
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)C(C)C)=C1	REAL300000308600	1	44	-2.0	-110.03	382.85	6.18	-103.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000308601	0	41	-2.0	-115.40	371.37	5.25	-110.15
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000308602	0	41	-2.0	-105.28	375.20	5.93	-99.35
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000308603	1	41	-2.0	-106.85	366.67	5.41	-101.44
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000308604	0	38	-2.0	-109.86	354.41	4.49	-105.37
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000308605	1	41	-2.0	-110.67	368.56	5.42	-105.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)=C1F	REAL300000308606	0	44	-2.0	-118.39	387.90	6.07	-112.32
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000308607	0	41	-2.0	-107.85	367.61	5.44	-102.41
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000308608	1	41	-2.0	-105.13	374.64	5.77	-99.36
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000308609	1	41	-2.0	-108.38	372.98	5.46	-102.92
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000308610	0	42	-2.0	-117.45	371.38	3.08	-114.37
CC(C)C(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000308610	1	42	-2.0	-105.70	360.89	3.97	-101.73
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000308611	1	44	-2.0	-110.86	384.33	6.14	-104.72
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)C(C)C)=C1	REAL300000308612	1	44	-2.0	-118.91	371.26	6.01	-112.90
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000308613	1	44	-2.0	-120.37	386.50	6.01	-114.36
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)=CC(C(=O)[O-])=C1C	REAL300000308615	1	47	-2.0	-125.46	394.38	6.44	-119.02
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000308616	0	41	-2.0	-99.75	373.42	5.49	-94.26
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)C=C1C(=O)[O-]	REAL300000308618	0	44	-2.0	-119.63	387.02	6.08	-113.55
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)=C1	REAL300000308619	0	44	-2.0	-128.34	386.71	6.05	-122.29
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)C=C1C(=O)[O-]	REAL300000308620	1	47	-2.0	-124.26	395.87	6.57	-117.69
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)C=C1C(=O)[O-]	REAL300000308621	0	45	-2.0	-121.15	389.80	5.57	-115.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000308622	1	44	-2.0	-108.05	377.55	5.92	-102.13
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)C(C)C)=C1	REAL300000308623	1	44	-2.0	-116.62	381.68	6.21	-110.41
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000308624	0	41	-2.0	-127.51	365.33	5.40	-122.11
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)C=C1C(=O)[O-]	REAL300000308625	1	44	-2.0	-113.23	383.39	5.94	-107.29
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000308626	0	40	-2.0	-116.28	358.65	3.42	-112.86
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)C(C)C)=C1	REAL300000308627	0	45	-2.0	-111.98	390.33	5.19	-106.79
CC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000308628	0	38	-2.0	-107.13	362.29	4.34	-102.79
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000308629	0	44	-2.0	-113.90	383.97	5.36	-108.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)=CC=C1F	REAL300000308630	0	34	-2.0	-99.06	338.41	8.29	-90.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)C=C1	REAL300000308631	0	34	-2.0	-91.13	333.90	8.27	-82.86
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)=C1	REAL300000308632	0	34	-2.0	-101.00	333.88	8.26	-92.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000308633	0	37	-2.0	-101.81	349.41	8.81	-93.00
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)=C1	REAL300000308634	0	34	-2.0	-97.83	339.36	8.32	-89.51
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)=C1	REAL300000308635	0	31	-2.0	-96.26	327.07	7.27	-88.99
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N1C=NC=N1	REAL300000308636	0	37	-2.0	-100.69	349.34	9.03	-91.66
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000308637	0	35	-2.0	-99.90	340.55	7.61	-92.29
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)=C1	REAL300000308638	0	34	-2.0	-94.14	343.03	7.94	-86.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)=CS1	REAL300000308639	0	31	-2.0	-97.42	325.53	7.29	-90.13
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)C=C(C(=O)[O-])O1	REAL300000308640	0	34	-2.0	-95.51	336.89	7.39	-88.12
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)C=C(C(=O)[O-])S1	REAL300000308641	0	34	-2.0	-97.92	343.59	8.14	-89.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)C=C1F	REAL300000308642	0	34	-2.0	-91.18	338.40	8.30	-82.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)S1	REAL300000308643	0	31	-2.0	-92.95	326.14	7.39	-85.56
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)=C1	REAL300000308644	0	34	-2.0	-94.73	340.32	8.31	-86.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)C(F)=C1	REAL300000308645	0	34	-2.0	-90.73	339.35	8.33	-82.40
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)=C1	REAL300000308646	0	35	-2.0	-99.29	343.60	5.96	-93.33
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)C=C1	REAL300000308647	0	37	-2.0	-93.12	356.08	9.03	-84.09
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N1C=NC=N1	REAL300000308648	0	37	-2.0	-100.31	344.14	8.89	-91.42
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N1C=NC=N1	REAL300000308649	1	37	-2.0	-90.77	349.30	9.03	-81.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000308650	0	38	-2.0	-101.09	361.90	8.47	-92.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)=CC=C1C(=O)[O-]	REAL300000308651	0	37	-2.0	-90.78	349.38	8.82	-81.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)=C1F	REAL300000308652	0	34	-2.0	-108.31	337.54	8.28	-100.03
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)=C1	REAL300000308653	0	33	-2.0	-100.55	330.09	6.37	-94.18
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=NC=N2)C=C(C(=O)[O-])O1	REAL300000308654	0	37	-2.0	-94.85	356.02	8.24	-86.61
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000308655	0	39	-2.0	-86.44	357.79	2.99	-83.45
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000308656	0	32	-2.0	-102.55	305.87	4.44	-98.11
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC	REAL300000308657	0	40	-2.0	-103.61	360.96	5.50	-98.11
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000308658	0	32	-2.0	-92.81	301.31	4.42	-88.39
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000308659	0	32	-2.0	-104.96	301.34	4.41	-100.55
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC	REAL300000308660	0	36	-2.0	-110.09	329.48	4.21	-105.88
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000308661	0	36	-2.0	-92.45	332.78	5.71	-86.74
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000308662	0	35	-2.0	-106.11	317.35	4.94	-101.17
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000308663	0	32	-2.0	-100.44	314.41	5.00	-95.44
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000308664	0	32	-2.0	-100.86	313.84	4.81	-96.05
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000308665	0	32	-2.0	-96.16	326.90	5.37	-90.79
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000308666	0	38	-2.0	-107.42	334.44	5.74	-101.68
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000308667	0	32	-2.0	-102.06	306.82	4.48	-97.58
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000308668	0	38	-2.0	-91.63	344.90	5.99	-85.64
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000308669	0	29	-2.0	-99.59	294.52	3.44	-96.15
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000308670	0	35	-2.0	-105.59	316.77	5.19	-100.40
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000308671	0	36	-2.0	-91.11	332.40	4.69	-86.42
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000308672	0	33	-2.0	-103.37	307.98	3.76	-99.61
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000308673	1	36	-2.0	-106.31	325.12	3.25	-103.06
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000308674	0	32	-2.0	-95.65	310.45	4.09	-91.56
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000308675	0	38	-2.0	-106.82	332.79	5.73	-101.09
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000308676	0	29	-2.0	-100.90	292.99	3.45	-97.45
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000308677	0	40	-2.0	-105.46	359.65	4.22	-101.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC)C=C1C(=O)[O-]	REAL300000308678	0	36	-2.0	-110.89	328.63	4.48	-106.41
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000308679	0	42	-2.0	-109.55	356.58	7.04	-102.51
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000308680	0	41	-2.0	-107.74	355.24	6.42	-101.32
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC	REAL300000308681	0	38	-2.0	-103.78	331.46	6.13	-97.65
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC	REAL300000308682	0	39	-2.0	-110.73	351.77	4.98	-105.75
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000308683	0	34	-3.0	-179.76	329.74	4.97	-174.79
COC1=CC(F)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000308683	1	35	-2.0	-107.35	329.78	4.93	-102.42
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000308684	0	39	-2.0	-109.81	345.58	6.31	-103.50
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000308685	0	32	-2.0	-98.91	304.34	3.55	-95.36
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000308686	0	38	-2.0	-109.89	343.50	4.19	-105.70
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000308687	0	36	-2.0	-106.05	330.26	3.50	-102.55
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000308688	0	40	-2.0	-91.63	354.25	5.01	-86.62
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000308689	0	32	-2.0	-94.72	329.01	5.26	-89.46
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000308690	0	32	-2.0	-97.23	318.93	5.01	-92.22
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000308691	0	36	-2.0	-89.71	348.44	5.23	-84.48
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000308692	0	39	-2.0	-91.59	352.49	5.39	-86.20
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000308693	0	35	-2.0	-96.38	322.05	5.22	-91.16
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000308694	0	45	-2.0	-91.67	394.95	6.32	-85.35
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000308695	0	36	-2.0	-90.65	338.64	4.75	-85.90
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC)C=C1C(=O)[O-]	REAL300000308696	0	39	-2.0	-111.53	350.48	5.39	-106.14
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000308697	0	32	-2.0	-102.20	309.96	4.30	-97.90
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000308698	0	32	-2.0	-94.32	329.56	5.43	-88.89
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000308699	0	32	-2.0	-90.34	314.38	4.98	-85.36
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000308700	0	32	-2.0	-92.38	305.87	4.44	-87.94
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000308701	0	29	-2.0	-94.52	293.60	3.53	-90.99
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000308702	0	32	-2.0	-95.97	307.75	4.47	-91.50
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000308703	0	35	-2.0	-103.50	327.09	5.12	-98.38
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000308704	0	36	-2.0	-95.04	341.65	5.05	-89.99
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000308705	0	32	-2.0	-92.18	306.80	4.48	-87.70
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000308706	0	32	-2.0	-90.41	313.84	4.82	-85.59
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000308707	0	35	-2.0	-98.04	330.78	5.60	-92.44
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000308708	0	40	-2.0	-89.24	365.07	5.82	-83.42
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000308709	0	32	-2.0	-94.24	312.15	4.51	-89.73
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000308710	0	34	-2.0	-90.25	329.52	5.08	-85.17
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000308711	0	33	-2.0	-104.38	311.05	2.11	-102.27
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000308712	0	35	-2.0	-96.27	323.50	5.19	-91.08
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000308713	0	32	-2.0	-95.65	322.04	4.94	-90.71
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000308714	0	35	-2.0	-101.26	311.37	5.04	-96.22
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000308715	0	35	-2.0	-103.89	326.17	5.06	-98.83
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000308716	0	35	-2.0	-92.91	316.75	5.18	-87.73
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000308717	0	38	-2.0	-107.99	334.22	5.47	-102.52
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000308718	0	34	-2.0	-103.54	327.91	5.50	-98.04
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000308719	0	32	-2.0	-93.90	313.07	4.54	-89.36
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000308720	0	38	-2.0	-105.42	335.81	5.80	-99.62
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000308721	0	35	-2.0	-103.14	322.81	5.01	-98.13
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000308722	0	35	-2.0	-102.21	333.12	5.55	-96.66
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000308723	0	35	-2.0	-109.83	326.37	5.09	-104.74
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC)C=C1C(=O)[O-]	REAL300000308724	0	38	-2.0	-106.91	335.30	5.59	-101.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC)C=C1CC(=O)[O-]	REAL300000308725	0	39	-2.0	-107.42	351.81	4.53	-102.89
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000308726	0	35	-2.0	-94.58	327.60	5.59	-88.99
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000308727	0	35	-2.0	-89.46	331.47	5.22	-84.24
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000308728	0	35	-2.0	-102.65	332.56	5.37	-97.28
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC)C=C1C(=O)[O-]	REAL300000308729	0	36	-2.0	-104.72	329.36	4.62	-100.10
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000308730	1	44	-2.0	-105.34	366.48	7.28	-98.06
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000308731	0	32	-2.0	-92.67	326.94	4.97	-87.70
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000308732	0	35	-2.0	-98.37	331.20	5.38	-92.99
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000308733	0	41	-2.0	-101.84	350.77	6.55	-95.29
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000308734	0	36	-2.0	-106.01	341.67	5.05	-100.96
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000308735	0	35	-2.0	-94.52	321.40	5.05	-89.47
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000308736	0	37	-2.0	-97.03	344.59	6.60	-90.43
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000308737	0	35	-2.0	-103.14	321.29	5.23	-97.91
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000308738	0	34	-2.0	-112.05	325.07	6.25	-105.80
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000308739	0	32	-2.0	-109.06	304.97	4.44	-104.62
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000308740	0	35	-2.0	-96.74	322.50	4.98	-91.76
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000308741	0	38	-2.0	-113.18	342.38	6.53	-106.65
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000308742	0	31	-2.0	-102.64	297.55	2.53	-100.11
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000308743	0	36	-2.0	-96.89	329.54	4.21	-92.68
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000308744	0	29	-2.0	-93.13	301.44	3.38	-89.75
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000308745	0	39	-2.0	-99.29	347.46	6.30	-92.99
COC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000308746	0	39	-2.0	-102.03	345.42	6.27	-95.76
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC)C=C(C(=O)[O-])O1	REAL300000308747	0	35	-2.0	-98.71	323.45	4.41	-94.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C4CC4)O3)C=C2)C=C1	REAL300000308748	1	41	-2.0	-95.60	373.45	5.89	-89.71
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C4CC4)O3)C=C2)=C1	REAL300000308749	1	41	-2.0	-107.92	373.47	5.88	-102.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C4CC4)O3)C=C2)C=C1C(=O)[O-]	REAL300000308750	1	44	-2.0	-108.98	389.49	6.41	-102.57
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C4CC4)O3)C=C2)=C1	REAL300000308751	0	38	-2.0	-102.23	366.65	4.89	-97.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=C(C3CC3)O2)C=C1	REAL300000308752	1	44	-2.0	-109.29	388.90	6.66	-102.63
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C4CC4)O3)C=C2)C=C1C(=O)[O-]	REAL300000308753	0	42	-2.0	-106.31	380.12	5.24	-101.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C4CC4)O3)C=C2)=CS1	REAL300000308754	0	38	-2.0	-103.73	365.12	4.92	-98.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C4CC4)O3)C=C2)C=C(C(=O)[O-])O1	REAL300000308755	0	41	-2.0	-102.31	376.51	5.03	-97.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C4CC4)O3)C=C2)S1	REAL300000308756	0	38	-2.0	-97.28	365.73	5.01	-92.27
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C4CC4)O3)C=C2)C=C1	REAL300000308757	1	44	-2.0	-99.23	395.64	6.67	-92.56
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=C(C3CC3)O2)C=C1	REAL300000308758	1	44	-2.0	-104.85	387.29	6.62	-98.23
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=C(C3CC3)O2)C=C1	REAL300000308759	1	44	-2.0	-95.91	388.88	6.65	-89.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C4CC4)O3)C=C2)=CC=C1C(=O)[O-]	REAL300000308760	1	44	-2.0	-95.64	389.48	6.42	-89.22
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=CN=C(C4CC4)O3)C=C2)=C1	REAL300000308761	0	40	-2.0	-105.49	369.68	4.00	-101.49
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300000308762	1	38	-2.0	-89.67	349.75	5.35	-84.32
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000308763	1	38	-2.0	-100.18	353.80	5.39	-94.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000308764	1	41	-2.0	-104.22	369.04	5.97	-98.25
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000308765	0	35	-2.0	-95.42	346.60	4.39	-91.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)N(C)C)=C1	REAL300000308766	1	41	-2.0	-101.98	368.84	6.16	-95.82
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000308767	0	39	-2.0	-99.41	361.55	4.72	-94.69
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000308768	0	35	-2.0	-96.57	341.50	4.38	-92.19
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000308769	0	38	-2.0	-95.60	357.13	4.52	-91.08
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000308770	0	35	-2.0	-91.85	346.01	4.50	-87.35
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Cl	REAL300000308771	0	39	-2.0	-101.59	363.88	3.10	-98.49
CN(C)C(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Cl	REAL300000308771	1	39	-2.0	-105.15	352.89	3.97	-101.18
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000308772	1	41	-2.0	-93.59	377.08	6.16	-87.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)N(C)C)=C1	REAL300000308773	1	41	-2.0	-98.85	364.64	6.03	-92.82
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)N(C)C)=C1	REAL300000308774	1	41	-2.0	-90.42	369.15	6.14	-84.28
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000308775	0	42	-2.0	-100.34	382.15	5.59	-94.75
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)N(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000308776	1	41	-2.0	-90.72	370.16	5.95	-84.77
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000308777	0	37	-2.0	-98.91	350.72	3.42	-95.49
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000308778	0	37	-2.0	-117.90	344.74	7.71	-110.19
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000308779	1	37	-2.0	-110.10	340.25	7.69	-102.41
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000308780	0	37	-2.0	-120.76	340.10	7.67	-113.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=CN1C	REAL300000308781	0	41	-2.0	-128.66	368.49	7.49	-121.17
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000308782	0	41	-2.0	-108.43	371.66	8.97	-99.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)C=C1C(=O)[O-]	REAL300000308783	1	40	-2.0	-126.59	356.60	8.22	-118.37
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000308784	0	37	-2.0	-118.19	353.42	8.26	-109.93
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000308785	0	37	-2.0	-116.45	352.71	8.07	-108.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)=C1C	REAL300000308786	0	43	-2.0	-126.03	372.66	8.99	-117.04
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000308787	0	37	-2.0	-120.45	345.83	7.75	-112.70
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000308788	0	43	-2.0	-107.30	383.78	9.27	-98.03
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000308789	0	34	-2.0	-118.85	333.54	6.70	-112.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=CN1C	REAL300000308790	0	40	-2.0	-119.27	355.62	8.46	-110.81
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000308791	1	41	-2.0	-106.99	371.28	7.96	-99.03
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000308792	0	38	-2.0	-123.11	346.86	7.03	-116.08
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=CN1C	REAL300000308793	1	41	-2.0	-119.38	364.40	6.49	-112.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)=C1	REAL300000308794	0	37	-2.0	-114.30	349.39	7.37	-106.93
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)C=C1C(=O)[O-]	REAL300000308795	1	43	-2.0	-125.20	372.00	9.01	-116.19
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000308796	0	34	-2.0	-116.72	331.75	6.71	-110.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)C=C1C(=O)[O-]	REAL300000308797	1	41	-2.0	-131.29	367.50	7.74	-123.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=CN1C	REAL300000308798	0	43	-2.0	-120.73	370.04	9.34	-111.39
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000308799	0	44	-2.0	-123.82	384.49	9.57	-114.25
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)C=C(C(=O)[O-])O1	REAL300000308800	0	37	-2.0	-113.83	343.20	6.81	-107.02
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)=C1	REAL300000308801	0	41	-2.0	-125.74	369.21	6.77	-118.97
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=CN1C	REAL300000308802	0	40	-2.0	-114.71	360.59	8.52	-106.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)C=C(C(=O)[O-])S1	REAL300000308803	0	37	-2.0	-116.19	348.82	7.57	-108.62
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000308804	0	37	-2.0	-106.88	353.30	8.24	-98.64
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000308805	0	37	-2.0	-109.02	344.75	7.72	-101.30
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000308806	0	34	-2.0	-112.77	332.47	6.81	-105.96
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000308807	0	37	-2.0	-115.50	346.61	7.74	-107.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)=C1F	REAL300000308808	0	40	-2.0	-119.62	366.01	8.38	-111.24
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000308809	0	37	-2.0	-110.33	345.71	7.75	-102.58
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000308810	0	37	-2.0	-107.34	352.73	8.08	-99.26
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000308811	0	37	-2.0	-110.02	351.03	7.77	-102.25
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000308812	0	38	-2.0	-117.48	349.90	5.39	-112.09
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000308813	0	40	-2.0	-112.63	362.38	8.46	-104.17
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=CN1C	REAL300000308814	0	40	-2.0	-121.82	349.54	8.31	-113.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)=CC(C(=O)[O-])=C1F	REAL300000308815	0	40	-2.0	-119.47	365.05	8.33	-111.14
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=CN1C	REAL300000308816	1	40	-2.0	-108.84	355.68	8.45	-100.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)=CC(C(=O)[O-])=C1C	REAL300000308817	1	43	-2.0	-130.08	377.70	8.87	-121.21
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000308818	0	37	-2.0	-110.67	351.98	7.81	-102.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)C(C)=C1C(=O)[O-]	REAL300000308819	1	43	-2.0	-126.30	374.02	9.07	-117.23
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)C=C1C(=O)[O-]	REAL300000308820	0	40	-2.0	-118.54	361.99	8.25	-110.29
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)=C1	REAL300000308821	0	40	-2.0	-132.34	365.26	8.37	-123.97
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)C=C1C(=O)[O-]	REAL300000308822	1	43	-2.0	-122.55	373.93	8.84	-113.71
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)C=C1C(=O)[O-]	REAL300000308823	0	41	-2.0	-121.01	368.12	7.89	-113.12
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)=CC=C1C(=O)[O-]	REAL300000308824	1	40	-2.0	-110.94	355.13	8.24	-102.70
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=CN1C	REAL300000308825	1	40	-2.0	-116.28	360.14	8.49	-107.79
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000308826	0	37	-2.0	-131.30	343.85	7.70	-123.60
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)C=C1C(=O)[O-]	REAL300000308827	0	40	-2.0	-117.47	365.26	8.35	-109.12
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000308828	0	36	-2.0	-122.82	336.46	5.81	-117.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=CN1C	REAL300000308829	0	41	-2.0	-113.29	368.46	7.47	-105.82
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000308830	0	34	-2.0	-111.08	340.40	6.66	-104.42
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000308831	0	44	-2.0	-114.48	386.33	9.56	-104.92
CN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000308832	0	44	-2.0	-122.83	384.26	9.55	-113.28
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C)C=C(C(=O)[O-])O1	REAL300000308833	0	40	-2.0	-116.51	360.13	7.60	-108.91
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1)C(C)=O	REAL300000308834	1	44	-2.0	-117.82	380.30	7.58	-110.24
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(C)=O	REAL300000308835	1	44	-2.0	-107.31	375.76	7.56	-99.75
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(C)=O	REAL300000308836	1	44	-2.0	-121.14	377.48	7.59	-113.55
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C(C)=O	REAL300000308837	1	47	-2.0	-122.72	393.00	8.16	-114.56
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(C)=O	REAL300000308838	0	44	-2.0	-117.64	377.40	7.64	-110.00
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(C)=O	REAL300000308839	0	41	-2.0	-115.24	368.95	6.56	-108.68
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C(C)=O	REAL300000308840	1	47	-2.0	-119.94	388.81	8.21	-111.73
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)C(C)=O	REAL300000308841	0	45	-2.0	-119.35	382.84	6.92	-112.43
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1)C(C)=O	REAL300000308842	0	44	-2.0	-110.51	384.90	7.24	-103.27
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(C)=O	REAL300000308843	0	41	-2.0	-116.49	367.83	6.61	-109.88
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C(C)=O	REAL300000308844	0	44	-2.0	-113.77	376.12	6.58	-107.19
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1)C(C)=O	REAL300000308845	0	44	-2.0	-116.66	383.40	7.37	-109.29
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(C)=O	REAL300000308846	1	44	-2.0	-106.43	380.28	7.59	-98.84
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(C)=O	REAL300000308847	0	41	-2.0	-109.27	368.45	6.71	-102.56
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(C)=O	REAL300000308848	1	44	-2.0	-111.04	382.19	7.63	-103.41
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(C)=O	REAL300000308849	0	44	-2.0	-106.15	375.29	7.62	-98.53
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C(C)=O	REAL300000308850	0	45	-2.0	-118.72	383.26	5.58	-113.14
CCN(CC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(C)=O	REAL300000308850	1	45	-2.0	-120.21	377.11	6.08	-114.13
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(C)=O	REAL300000308851	1	47	-2.0	-110.72	397.94	8.34	-102.38
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)C(C)=O	REAL300000308852	1	47	-2.0	-115.82	384.37	8.12	-107.70
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)C(C)=O	REAL300000308853	1	47	-2.0	-106.63	387.71	8.18	-98.45
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1)C(C)=O	REAL300000308854	0	48	-2.0	-120.65	403.79	7.76	-112.89
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)C(C)=O	REAL300000308855	1	47	-2.0	-109.15	396.75	8.25	-100.90
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(C)=O	REAL300000308856	0	44	-2.0	-121.23	373.47	7.58	-113.65
CCN(CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(C)=O	REAL300000308857	0	43	-2.0	-118.88	371.99	5.68	-113.20
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CN(CC)C(C)=O)C=C(C(=O)[O-])O1	REAL300000308858	0	47	-2.0	-113.17	395.91	7.40	-105.77
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(N3CCCC3=O)=CC=C2Cl)=C1	REAL300000308863	0	38	-2.0	-104.87	356.37	4.78	-100.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=CC=C1F	REAL300000308864	1	35	-2.0	-114.50	325.99	6.63	-107.87
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC=N1	REAL300000308865	0	43	-2.0	-113.70	381.08	7.69	-106.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1	REAL300000308866	1	35	-2.0	-104.22	321.45	6.61	-97.61
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1	REAL300000308867	0	35	-2.0	-117.43	321.46	6.60	-110.83
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC=N1	REAL300000308868	0	39	-2.0	-122.00	349.60	6.40	-115.60
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1	REAL300000308869	0	39	-2.0	-102.65	352.91	7.90	-94.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000308870	1	38	-2.0	-120.17	341.53	7.25	-112.92
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1	REAL300000308871	0	35	-2.0	-111.74	334.53	7.17	-104.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=CC=C1Cl	REAL300000308872	0	35	-2.0	-113.07	333.97	6.99	-106.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1C	REAL300000308873	1	41	-2.0	-119.01	353.85	7.90	-111.11
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1	REAL300000308874	0	35	-2.0	-114.60	326.93	6.66	-107.94
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1	REAL300000308875	0	41	-2.0	-102.05	365.02	8.19	-93.86
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1	REAL300000308876	0	32	-2.0	-111.72	314.64	5.62	-106.10
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC=N1	REAL300000308877	1	38	-2.0	-116.94	336.89	7.38	-109.56
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1	REAL300000308878	1	39	-2.0	-101.41	352.53	6.89	-94.52
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000308879	0	36	-2.0	-115.53	328.11	5.95	-109.58
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC=N1	REAL300000308880	1	39	-2.0	-117.01	345.66	5.41	-111.60
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1	REAL300000308881	0	35	-2.0	-107.60	330.59	6.28	-101.32
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000308882	1	41	-2.0	-118.31	352.91	7.93	-110.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=CS1	REAL300000308883	0	32	-2.0	-112.93	313.11	5.63	-107.30
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000308884	1	39	-2.0	-123.30	348.74	6.67	-116.63
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1	REAL300000308885	0	45	-2.0	-121.23	376.70	9.23	-112.00
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC=N1	REAL300000308886	0	44	-2.0	-118.03	373.61	8.66	-109.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC=N1	REAL300000308887	1	41	-2.0	-113.87	346.36	8.44	-105.43
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC=N1	REAL300000308888	0	42	-2.0	-122.76	371.89	7.16	-115.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=CC(C(=O)[O-])=C1	REAL300000308889	0	37	-3.0	-196.99	349.86	7.16	-189.83
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2N2C=CC=N2)=CC(C(=O)[O-])=C1	REAL300000308889	1	38	-2.0	-113.26	347.92	7.25	-106.01
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1	REAL300000308890	0	42	-2.0	-121.68	365.70	8.50	-113.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C(C(=O)[O-])O1	REAL300000308891	0	35	-2.0	-110.20	324.47	5.74	-104.46
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1	REAL300000308892	0	39	-2.0	-118.58	350.38	5.68	-112.90
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CC=N3)C=C2C1	REAL300000308893	1	43	-2.0	-102.38	374.37	7.19	-95.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C(Cl)C=C1F	REAL300000308894	0	35	-2.0	-108.14	339.05	7.19	-100.95
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=CC=C1OCC(=O)[O-]	REAL300000308895	1	42	-2.0	-101.95	372.62	7.58	-94.37
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC=N1	REAL300000308896	0	38	-2.0	-107.62	342.17	7.42	-100.20
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1F	REAL300000308897	0	39	-2.0	-100.70	358.75	6.94	-93.76
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000308898	1	42	-2.0	-124.06	370.59	7.58	-116.48
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C(C(=O)[O-])S1	REAL300000308899	0	35	-2.0	-113.34	330.08	6.49	-106.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C(Cl)=C1	REAL300000308900	0	35	-2.0	-100.83	334.51	7.17	-93.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1F	REAL300000308901	0	35	-2.0	-103.52	325.99	6.64	-96.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)S1	REAL300000308902	0	32	-2.0	-106.23	313.72	5.72	-100.51
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1	REAL300000308903	0	35	-2.0	-108.24	327.86	6.67	-101.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1F	REAL300000308904	0	38	-2.0	-116.28	347.22	7.31	-108.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C(F)=C1	REAL300000308905	0	35	-2.0	-103.95	326.92	6.68	-97.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1Cl	REAL300000308906	0	35	-2.0	-101.63	333.96	7.00	-94.63
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC=N1	REAL300000308907	0	38	-2.0	-109.19	350.90	7.80	-101.39
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1	REAL300000308908	0	43	-2.0	-99.10	385.19	8.01	-91.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=CC(F)=C1F	REAL300000308909	0	35	-2.0	-105.97	332.28	6.69	-99.28
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1	REAL300000308910	0	37	-2.0	-102.23	349.65	7.27	-94.96
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1	REAL300000308911	0	36	-2.0	-115.32	331.18	4.31	-111.01
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1	REAL300000308912	0	38	-2.0	-107.59	343.63	7.39	-100.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=CC(Cl)=C1F	REAL300000308913	0	35	-2.0	-107.51	342.16	7.13	-100.38
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC=N1	REAL300000308914	1	38	-2.0	-113.33	331.50	7.23	-106.10
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=CC(C(=O)[O-])=C1F	REAL300000308915	1	38	-2.0	-116.03	346.29	7.25	-108.78
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC=N1	REAL300000308916	1	38	-2.0	-103.54	336.87	7.38	-96.16
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=CC(C(=O)[O-])=C1C	REAL300000308917	1	41	-2.0	-122.16	358.96	7.79	-114.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=CC=C1[N+](=O)[O-]	REAL300000308918	0	37	-2.0	-114.80	348.01	7.69	-107.11
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1	REAL300000308919	0	35	-2.0	-106.37	333.19	6.74	-99.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C(C)=C1C(=O)[O-]	REAL300000308920	1	41	-2.0	-117.45	355.93	7.99	-109.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000308921	0	38	-2.0	-116.01	342.94	7.20	-108.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1Cl	REAL300000308922	0	38	-2.0	-113.69	353.22	7.75	-105.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1	REAL300000308923	0	38	-2.0	-122.96	346.49	7.30	-115.66
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000308924	1	41	-2.0	-119.62	355.78	7.79	-111.83
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1CC(=O)[O-]	REAL300000308925	1	42	-2.0	-119.86	371.92	6.72	-113.14
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC=N1	REAL300000308926	0	38	-2.0	-106.51	347.72	7.78	-98.73
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=CC(C(=O)[O-])=C1Cl	REAL300000308927	0	38	-2.0	-115.05	352.68	7.56	-107.49
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000308928	0	39	-2.0	-116.90	349.48	6.81	-110.09
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000308929	0	38	-2.0	-111.00	351.32	7.57	-103.43
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=CC=C1C(=O)[O-]	REAL300000308930	1	38	-2.0	-104.47	337.47	7.14	-97.33
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC=N1	REAL300000308931	1	38	-2.0	-114.15	340.99	7.43	-106.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1[N+](=O)[O-]	REAL300000308932	0	37	-2.0	-123.43	345.18	8.45	-114.98
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1F	REAL300000308933	0	35	-2.0	-121.92	325.10	6.63	-115.29
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000308934	0	38	-2.0	-109.33	342.62	7.17	-102.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=CC2=CC=CC=C21	REAL300000308935	0	41	-2.0	-126.15	362.50	8.72	-117.43
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C1	REAL300000308936	0	34	-2.0	-115.83	317.67	4.71	-111.12
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC=N1	REAL300000308937	0	39	-2.0	-107.92	349.66	6.41	-101.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)=C(Cl)O1	REAL300000308938	0	32	-2.0	-104.47	321.56	5.58	-98.89
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CC=N3)C=C2)CC1	REAL300000308939	0	42	-2.0	-110.41	367.59	8.49	-101.92
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CC=N3)C=C2C1	REAL300000308940	0	42	-2.0	-114.16	365.55	8.46	-105.70
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC=N2)C=C(C(=O)[O-])O1	REAL300000308941	0	38	-2.0	-108.74	339.09	6.74	-102.00
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000308942	0	38	-2.0	-118.19	345.66	4.44	-113.75
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000308943	0	38	-2.0	-107.98	341.12	4.42	-103.56
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000308944	0	38	-2.0	-121.21	341.13	4.41	-116.80
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000308945	0	42	-2.0	-125.13	369.27	4.20	-120.93
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000308946	0	42	-2.0	-106.16	372.58	5.70	-100.46
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000308947	0	41	-2.0	-122.63	357.15	4.94	-117.69
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000308948	0	38	-2.0	-114.83	354.20	4.98	-109.85
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000308949	0	38	-2.0	-116.73	353.63	4.80	-111.93
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000308950	0	44	-2.0	-122.01	374.23	5.75	-116.26
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000308951	0	38	-2.0	-117.53	346.61	4.47	-113.06
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000308952	0	44	-2.0	-105.41	384.69	6.00	-99.41
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000308953	0	35	-2.0	-115.40	334.32	3.43	-111.97
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000308954	0	41	-2.0	-119.91	356.56	5.19	-114.72
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000308955	0	42	-2.0	-104.97	372.20	4.69	-100.28
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000308956	0	39	-2.0	-119.56	347.78	3.75	-115.81
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000308957	0	42	-2.0	-120.17	364.91	3.24	-116.93
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000308958	0	38	-2.0	-111.46	350.26	4.09	-107.37
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000308959	0	44	-2.0	-122.68	376.58	5.83	-116.85
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000308960	0	35	-2.0	-116.72	332.78	3.44	-113.28
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000308961	0	42	-2.0	-127.05	368.42	4.48	-122.57
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000308962	0	47	-2.0	-121.43	394.22	6.40	-115.03
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000308963	0	44	-2.0	-115.89	366.78	6.06	-109.83
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000308964	0	45	-2.0	-127.05	391.56	4.97	-122.08
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000308965	0	40	-3.0	-201.19	369.53	4.97	-196.22
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000308966	0	45	-2.0	-124.92	385.37	6.30	-118.62
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000308967	0	38	-2.0	-113.44	344.14	3.55	-109.89
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000308968	0	42	-2.0	-122.29	370.11	3.50	-118.79
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000308969	0	45	-2.0	-105.57	392.28	5.40	-100.17
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000308970	0	41	-2.0	-110.66	361.85	5.23	-105.43
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000308971	0	42	-2.0	-104.17	378.43	4.76	-99.41
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000308972	0	45	-2.0	-127.77	390.27	5.38	-122.39
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000308973	0	38	-2.0	-116.29	349.76	4.31	-111.98
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000308974	0	38	-2.0	-104.82	354.18	4.97	-99.85
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000308975	0	38	-2.0	-107.23	345.66	4.45	-102.78
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000308976	0	35	-2.0	-110.00	333.39	3.54	-106.46
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000308977	0	38	-2.0	-111.83	347.53	4.47	-107.36
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000308978	0	41	-2.0	-119.39	366.87	5.10	-114.29
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000308979	0	38	-2.0	-107.82	346.59	4.48	-103.34
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000308980	0	38	-2.0	-105.41	353.63	4.81	-100.60
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000308981	0	41	-2.0	-112.34	370.59	5.62	-106.72
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000308982	0	38	-2.0	-109.56	351.95	4.50	-105.06
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000308983	0	40	-2.0	-105.82	369.32	5.08	-100.74
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000308984	0	39	-2.0	-117.90	350.84	2.12	-115.78
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000308985	0	41	-2.0	-110.70	363.30	5.19	-105.51
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000308986	0	41	-2.0	-118.25	351.16	5.06	-113.19
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000308987	0	41	-2.0	-119.89	365.96	5.06	-114.83
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000308988	0	41	-2.0	-107.39	356.54	5.18	-102.21
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000308989	0	44	-2.0	-124.98	374.00	5.48	-119.50
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000308990	0	40	-2.0	-118.54	367.70	5.51	-113.03
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000308991	0	38	-2.0	-109.46	352.86	4.53	-104.93
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000308992	0	44	-2.0	-122.98	374.66	5.81	-117.17
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000308993	0	41	-2.0	-120.08	366.44	5.11	-114.97
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000308994	0	41	-2.0	-116.98	372.91	5.55	-111.43
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000308995	0	41	-2.0	-128.14	366.16	5.10	-123.04
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000308996	0	44	-2.0	-123.47	375.10	5.59	-117.88
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000308997	0	45	-2.0	-125.23	391.60	4.54	-120.69
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000308998	0	41	-2.0	-112.08	371.67	5.67	-106.41
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000308999	0	41	-2.0	-118.92	372.35	5.37	-113.55
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000309000	0	42	-2.0	-120.96	369.16	4.63	-116.33
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000309001	0	41	-2.0	-114.74	370.99	5.38	-109.36
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000309002	0	41	-2.0	-109.84	361.20	5.05	-104.79
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000309003	0	41	-2.0	-116.78	361.08	5.22	-111.56
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000309004	0	40	-2.0	-128.87	364.87	6.27	-122.60
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000309005	0	38	-2.0	-126.97	344.76	4.43	-122.54
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000309006	0	41	-2.0	-113.02	362.29	4.98	-108.04
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000309007	0	44	-2.0	-130.31	382.17	6.53	-123.78
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000309008	0	37	-2.0	-119.50	337.34	2.53	-116.97
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000309009	0	42	-2.0	-112.07	369.33	4.20	-107.87
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000309010	0	35	-2.0	-107.85	341.24	3.38	-104.47
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000309011	0	45	-2.0	-113.70	387.26	6.30	-107.40
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000309012	0	45	-2.0	-119.50	385.21	6.28	-113.22
CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000309013	0	41	-2.0	-111.68	359.45	4.38	-107.30
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000309014	0	45	-2.0	-114.11	393.76	6.18	-107.93
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000309015	0	45	-2.0	-103.78	389.23	6.15	-97.63
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000309016	0	45	-2.0	-117.05	389.23	6.15	-110.90
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000309017	0	48	-2.0	-118.45	405.25	6.67	-111.78
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000309018	0	45	-2.0	-114.48	394.71	6.21	-108.27
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000309019	0	42	-2.0	-111.08	382.42	5.16	-105.92
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000309020	0	48	-2.0	-117.62	404.67	6.91	-110.71
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000309021	0	46	-2.0	-115.26	395.88	5.49	-109.77
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000309022	0	45	-2.0	-107.03	398.34	5.82	-101.21
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000309023	0	42	-2.0	-112.48	380.89	5.18	-107.30
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000309024	0	45	-2.0	-110.20	392.24	5.28	-104.92
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000309025	0	45	-2.0	-113.65	398.92	6.02	-107.63
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000309026	0	45	-2.0	-103.05	393.75	6.19	-96.86
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000309027	0	42	-2.0	-105.70	381.50	5.27	-100.43
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000309028	0	45	-2.0	-107.59	395.65	6.20	-101.39
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000309029	0	45	-2.0	-103.45	394.69	6.22	-97.23
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000309030	0	46	-2.0	-116.22	398.95	3.85	-112.37
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000309031	0	48	-2.0	-107.61	411.42	6.91	-100.70
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000309032	0	48	-2.0	-113.23	399.27	6.77	-106.46
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000309033	0	48	-2.0	-103.75	404.65	6.92	-96.83
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000309034	0	49	-2.0	-116.57	417.18	6.34	-110.23
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000309035	0	48	-2.0	-104.05	405.24	6.69	-97.36
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000309036	0	45	-2.0	-121.64	392.86	6.16	-115.48
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000309037	0	44	-2.0	-114.14	386.21	4.21	-109.93
CCCCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000309038	0	48	-2.0	-109.79	411.36	6.13	-103.66
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000309039	1	38	-2.0	-111.46	349.97	4.07	-107.39
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000309040	1	38	-2.0	-103.23	345.42	4.05	-99.18
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000309041	1	38	-2.0	-114.47	345.43	4.04	-110.43
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000309042	0	42	-2.0	-120.83	373.58	3.84	-116.99
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000309043	1	42	-2.0	-103.23	376.89	5.34	-97.89
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000309044	1	41	-2.0	-115.72	361.46	4.58	-111.14
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000309045	0	38	-2.0	-110.76	358.50	4.62	-106.14
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000309046	1	38	-2.0	-110.04	357.94	4.44	-105.60
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000309047	1	44	-2.0	-117.32	378.54	5.38	-111.94
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000309048	0	38	-2.0	-113.63	350.91	4.11	-109.52
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000309049	1	44	-2.0	-102.57	389.01	5.63	-96.94
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000309050	0	35	-2.0	-109.02	338.62	3.06	-105.96
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000309051	1	41	-2.0	-115.48	360.87	4.83	-110.65
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000309052	1	42	-2.0	-101.54	376.51	4.32	-97.22
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000309053	0	39	-2.0	-112.75	352.09	3.39	-109.36
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000309055	0	38	-2.0	-107.27	354.57	3.73	-103.54
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000309056	1	44	-2.0	-116.75	376.89	5.36	-111.39
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000309057	0	35	-2.0	-110.27	337.09	3.08	-107.19
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000309058	1	42	-2.0	-120.06	372.71	4.11	-115.95
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000309059	1	47	-2.0	-117.30	397.04	5.96	-111.34
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(=O)NC	REAL300000309060	1	44	-2.0	-113.08	365.79	5.42	-107.66
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000309061	0	45	-2.0	-120.34	395.86	4.61	-115.73
CNC(=O)CC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000309062	0	41	-2.0	-124.51	372.37	4.54	-119.97
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000309062	1	40	-3.0	-192.30	373.83	4.61	-187.69
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000309063	1	45	-2.0	-120.36	389.67	5.94	-114.42
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000309064	0	38	-2.0	-108.15	348.44	3.18	-104.97
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000309065	0	42	-2.0	-118.07	374.42	3.13	-114.94
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000309066	1	45	-2.0	-102.10	396.59	5.03	-97.07
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000309067	1	41	-2.0	-106.04	366.17	4.86	-101.18
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000309068	1	42	-2.0	-101.35	382.73	4.39	-96.96
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)NC)C=C1C(=O)[O-]	REAL300000309069	1	45	-2.0	-125.88	394.57	5.02	-120.86
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000309070	0	38	-2.0	-111.84	354.06	3.93	-107.91
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000309071	0	38	-2.0	-100.21	358.48	4.60	-95.61
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000309072	1	38	-2.0	-102.93	349.95	4.08	-98.85
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000309073	0	35	-2.0	-105.88	337.69	3.17	-102.71
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000309074	1	38	-2.0	-109.28	351.85	4.11	-105.17
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000309075	0	41	-2.0	-115.20	371.20	4.75	-110.45
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000309076	0	38	-2.0	-103.25	350.89	4.11	-99.14
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000309077	1	38	-2.0	-100.92	357.92	4.45	-96.47
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000309078	1	41	-2.0	-107.69	374.90	5.24	-102.45
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000309079	1	38	-2.0	-103.32	356.25	4.14	-99.18
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000309080	0	40	-2.0	-102.75	373.62	4.71	-98.04
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000309081	0	39	-2.0	-114.84	355.15	1.75	-113.09
CNC(=O)CC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000309081	1	39	-2.0	-110.35	346.38	2.57	-107.78
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000309082	1	41	-2.0	-108.09	367.61	4.82	-103.27
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000309083	1	41	-2.0	-113.11	355.47	4.68	-108.43
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000309084	1	41	-2.0	-117.76	370.26	4.69	-113.07
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000309085	1	41	-2.0	-102.26	360.84	4.82	-97.44
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000309086	1	44	-2.0	-122.68	378.33	5.11	-117.57
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000309087	0	40	-2.0	-111.32	371.99	5.14	-106.18
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000309088	0	38	-2.0	-105.36	357.18	4.16	-101.20
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000309089	1	44	-2.0	-116.87	379.91	5.42	-111.45
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000309090	0	41	-2.0	-114.86	366.91	4.64	-110.22
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000309091	0	41	-2.0	-112.71	377.23	5.18	-107.53
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000309092	0	41	-2.0	-123.08	370.46	4.74	-118.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)NC)C=C1C(=O)[O-]	REAL300000309093	1	44	-2.0	-116.36	379.37	5.23	-111.13
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000309094	1	45	-2.0	-115.64	395.90	4.17	-111.47
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000309095	1	41	-2.0	-106.08	371.70	5.22	-100.86
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000309096	1	41	-2.0	-116.62	376.65	5.00	-111.62
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)NC)C=C1C(=O)[O-]	REAL300000309097	0	42	-2.0	-114.07	373.45	4.25	-109.82
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000309098	1	41	-2.0	-108.15	375.29	5.01	-103.14
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000309099	1	41	-2.0	-104.60	365.49	4.69	-99.91
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000309100	1	41	-2.0	-112.37	365.38	4.86	-107.51
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000309101	0	40	-2.0	-124.68	369.16	5.89	-118.79
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000309102	0	38	-2.0	-122.21	349.07	4.07	-118.14
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000309103	1	41	-2.0	-106.53	366.59	4.62	-101.91
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000309104	1	44	-2.0	-127.96	386.48	6.16	-121.80
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000309105	0	37	-2.0	-116.25	341.65	2.16	-114.09
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000309106	0	42	-2.0	-106.74	373.64	3.84	-102.90
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000309107	0	35	-2.0	-102.78	345.54	3.02	-99.76
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000309108	1	45	-2.0	-109.50	391.57	5.92	-103.58
CNC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000309109	1	45	-2.0	-112.34	389.51	5.91	-106.43
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)NC)C=C(C(=O)[O-])O1	REAL300000309110	0	41	-2.0	-107.30	363.71	3.86	-103.44
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000309113	1	41	-2.0	-109.59	359.69	9.17	-100.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C	REAL300000309114	0	45	-2.0	-115.44	387.83	8.97	-106.47
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000309115	1	45	-2.0	-96.20	391.14	10.47	-85.73
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000309117	1	47	-2.0	-112.71	392.79	10.50	-102.21
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000309118	0	41	-2.0	-107.23	365.16	9.24	-97.99
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000309119	1	47	-2.0	-95.63	403.26	10.76	-84.87
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000309120	0	38	-2.0	-103.71	352.87	8.20	-95.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C	REAL300000309121	1	44	-2.0	-110.85	375.12	9.96	-100.89
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000309123	1	42	-2.0	-107.85	366.34	8.52	-99.33
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C)=C1	REAL300000309125	0	41	-2.0	-99.80	368.80	8.86	-90.94
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000309127	0	38	-2.0	-105.15	351.34	8.21	-96.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C	REAL300000309129	1	47	-2.0	-109.08	389.12	10.88	-98.20
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C)C=C(C(=O)[O-])O1	REAL300000309130	0	41	-2.0	-103.45	362.69	8.31	-95.14
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C)=C1	REAL300000309131	0	45	-2.0	-110.13	388.61	8.27	-101.86
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000309132	1	44	-2.0	-101.20	380.40	10.00	-91.20
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C)C=C(C(=O)[O-])S1	REAL300000309133	1	41	-2.0	-107.14	368.31	9.07	-98.07
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000309134	1	41	-2.0	-96.18	364.22	9.22	-86.96
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000309135	0	38	-2.0	-98.54	351.95	8.30	-90.24
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000309136	1	41	-2.0	-100.26	366.11	9.24	-91.02
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000309137	0	44	-2.0	-108.60	385.43	9.87	-98.73
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000309138	0	41	-2.0	-96.18	365.15	9.25	-86.93
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000309139	0	42	-2.0	-109.99	369.41	6.88	-103.11
CC1=CC(C2=CC=CC=C2)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000309139	1	42	-2.0	-106.93	363.42	7.75	-99.18
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000309140	1	44	-2.0	-100.53	381.87	9.95	-90.58
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000309141	1	44	-2.0	-105.31	369.73	9.82	-95.49
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000309146	0	44	-2.0	-109.50	385.01	9.87	-99.63
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C)=C1	REAL300000309147	0	44	-2.0	-114.11	384.74	9.87	-104.24
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C)C=C1C(=O)[O-]	REAL300000309149	1	45	-2.0	-109.16	387.71	9.39	-99.77
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000309152	0	41	-2.0	-113.30	363.33	9.20	-104.10
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000309153	1	44	-2.0	-101.08	380.85	9.75	-91.33
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000309154	0	40	-2.0	-107.31	355.90	7.31	-100.00
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C	REAL300000309155	0	45	-2.0	-101.03	387.89	8.97	-92.06
CC1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000309156	0	38	-2.0	-97.11	359.79	8.15	-88.96
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C)C=C(C(=O)[O-])O1	REAL300000309157	0	44	-2.0	-103.31	381.82	9.16	-94.15
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2F)=C1	REAL300000309164	1	38	-2.0	-110.70	347.05	8.64	-102.06
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2F)=C1	REAL300000309166	0	35	-2.0	-106.92	334.76	7.62	-99.30
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2F)=C1	REAL300000309169	1	38	-2.0	-99.56	355.13	8.20	-91.36
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2F)C=C(C(=O)[O-])O1	REAL300000309173	1	38	-2.0	-106.99	344.58	7.73	-99.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2F)S1	REAL300000309176	1	35	-2.0	-101.69	333.83	7.72	-93.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2F)C(F)=C1	REAL300000309178	1	38	-2.0	-96.19	351.46	8.58	-87.61
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=CC=CC=C3)C=C2F)=C1	REAL300000309179	0	39	-2.0	-107.83	350.30	7.09	-100.74
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2F)=C1F	REAL300000309188	1	38	-2.0	-116.36	345.21	8.60	-107.76
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2F)=C1	REAL300000309189	0	37	-2.0	-106.87	342.21	6.64	-100.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2F)=C(Cl)O1	REAL300000309190	1	35	-2.0	-100.44	341.68	7.56	-92.88
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2F)C=C(C(=O)[O-])O1	REAL300000309191	1	41	-2.0	-102.08	368.11	8.51	-93.57
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000309192	0	38	-2.0	-119.07	338.72	5.10	-113.97
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000309193	0	38	-2.0	-107.25	338.65	5.02	-102.23
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000309194	0	38	-2.0	-118.52	338.96	5.06	-113.46
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C	REAL300000309195	0	42	-2.0	-122.68	367.09	4.86	-117.82
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000309196	0	42	-2.0	-104.64	371.76	6.36	-98.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000309197	0	41	-2.0	-123.78	353.38	5.57	-118.21
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000309198	0	38	-2.0	-112.68	352.02	5.64	-107.04
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000309199	0	38	-2.0	-117.68	346.70	5.47	-112.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)=C1C	REAL300000309200	0	44	-2.0	-123.11	371.23	6.37	-116.74
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000309201	0	38	-2.0	-115.71	344.43	5.13	-110.58
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000309202	0	44	-2.0	-104.24	381.38	6.63	-97.61
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000309203	0	35	-2.0	-116.54	327.38	4.10	-112.44
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C	REAL300000309204	0	41	-2.0	-120.83	354.70	5.80	-115.03
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000309205	0	42	-2.0	-103.74	370.69	5.34	-98.40
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000309206	0	39	-2.0	-119.84	344.77	4.38	-115.46
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C	REAL300000309207	0	42	-2.0	-121.66	362.45	3.84	-117.82
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)=C1	REAL300000309208	0	38	-2.0	-109.61	347.25	4.71	-104.90
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000309209	0	44	-2.0	-121.44	365.36	6.39	-115.05
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000309210	0	35	-2.0	-117.77	325.84	4.11	-113.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000309211	0	42	-2.0	-128.29	365.96	5.08	-123.21
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C	REAL300000309212	0	47	-2.0	-121.45	385.67	7.07	-114.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C	REAL300000309213	0	44	-2.0	-118.53	368.37	6.73	-111.80
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C	REAL300000309214	0	45	-2.0	-124.22	389.38	5.63	-118.59
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000309215	0	40	-3.0	-199.16	366.52	5.59	-193.57
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000309216	0	45	-2.0	-125.27	383.65	6.92	-118.35
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000309217	0	38	-2.0	-114.47	337.20	4.21	-110.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)=C1	REAL300000309218	0	42	-2.0	-118.67	368.39	4.11	-114.56
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)=CC=C1OCC(=O)[O-]	REAL300000309219	0	45	-2.0	-104.24	388.96	6.03	-98.21
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C	REAL300000309220	0	41	-2.0	-111.32	358.84	5.85	-105.47
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000309221	0	42	-2.0	-106.13	371.49	5.42	-100.71
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000309222	0	45	-2.0	-130.68	383.33	6.05	-124.63
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)C=C(C(=O)[O-])S1	REAL300000309223	0	38	-2.0	-116.94	342.38	4.98	-111.96
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000309224	0	38	-2.0	-104.01	351.64	5.59	-98.42
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000309225	0	38	-2.0	-106.75	343.47	5.10	-101.65
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000309226	0	35	-2.0	-111.87	326.01	4.21	-107.66
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000309227	0	38	-2.0	-109.60	345.06	5.08	-104.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)=C1F	REAL300000309228	0	41	-2.0	-119.38	364.34	5.71	-113.67
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000309229	0	38	-2.0	-105.97	343.25	5.11	-100.86
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000309230	0	38	-2.0	-107.28	346.68	5.48	-101.80
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C	REAL300000309231	0	41	-2.0	-112.69	367.25	6.25	-106.44
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000309232	0	38	-2.0	-109.28	350.21	5.12	-104.16
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000309233	0	40	-2.0	-103.18	365.98	5.71	-97.47
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000309234	0	39	-2.0	-118.47	347.52	2.75	-115.72
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000309235	0	41	-2.0	-109.46	359.98	5.82	-103.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C	REAL300000309236	0	41	-2.0	-114.90	349.24	5.65	-109.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)=CC(C(=O)[O-])=C1F	REAL300000309237	0	41	-2.0	-116.89	362.95	5.68	-111.21
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C	REAL300000309238	0	41	-2.0	-106.31	354.82	5.80	-100.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)=CC(C(=O)[O-])=C1C	REAL300000309239	0	44	-2.0	-126.21	370.20	6.11	-120.10
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000309240	0	40	-2.0	-119.86	364.61	6.12	-113.74
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000309241	0	38	-2.0	-109.28	350.39	5.14	-104.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)C(C)=C1C(=O)[O-]	REAL300000309242	0	44	-2.0	-120.52	372.19	6.41	-114.11
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000309243	0	41	-2.0	-120.00	355.88	5.66	-114.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)=C1Cl	REAL300000309244	0	41	-2.0	-117.53	370.37	6.15	-111.38
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)=C1	REAL300000309245	0	41	-2.0	-124.85	363.67	5.70	-119.15
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000309246	0	44	-2.0	-123.86	373.47	6.25	-117.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)C=C1CC(=O)[O-]	REAL300000309247	0	45	-2.0	-126.14	384.66	5.21	-120.93
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C	REAL300000309248	0	41	-2.0	-108.81	365.51	6.21	-102.60
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)=CC(C(=O)[O-])=C1Cl	REAL300000309249	0	41	-2.0	-115.88	369.34	5.99	-109.89
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000309250	0	42	-2.0	-122.05	362.22	5.29	-116.76
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000309251	0	41	-2.0	-115.28	366.74	6.02	-109.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)=CC=C1C(=O)[O-]	REAL300000309252	0	41	-2.0	-108.59	358.43	5.65	-102.94
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C	REAL300000309253	0	41	-2.0	-117.18	353.70	5.90	-111.28
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000309254	0	40	-2.0	-125.96	362.42	6.87	-119.09
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000309255	0	38	-2.0	-123.74	342.31	5.04	-118.70
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000309256	0	41	-2.0	-113.91	358.52	5.62	-108.29
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000309257	0	44	-2.0	-127.30	379.62	7.12	-120.18
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000309258	0	37	-2.0	-116.09	335.60	3.15	-112.94
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C	REAL300000309259	0	42	-2.0	-110.59	367.59	4.82	-105.77
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000309260	0	35	-2.0	-109.04	334.30	4.06	-104.98
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000309261	0	45	-2.0	-114.79	379.88	6.97	-107.82
CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000309262	0	45	-2.0	-116.18	383.48	6.90	-109.28
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000309263	0	41	-2.0	-113.70	360.01	5.00	-108.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)=CC=C1F	REAL300000309264	1	37	-2.0	-117.57	340.62	3.03	-114.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)C=C1	REAL300000309265	1	37	-2.0	-107.57	336.06	3.01	-104.56
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)=C1	REAL300000309266	1	37	-2.0	-120.57	336.08	3.00	-117.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)C=C1C(=O)[O-]	REAL300000309267	1	40	-2.0	-121.89	352.14	3.54	-118.35
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)=C1	REAL300000309268	0	37	-2.0	-117.16	341.55	3.06	-114.10
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)=C1	REAL300000309269	0	34	-2.0	-114.55	329.26	2.01	-112.54
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C(=O)CNC2=O)=C1	REAL300000309270	1	40	-2.0	-120.45	351.51	3.78	-116.67
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)C=C1C(=O)[O-]	REAL300000309271	0	38	-2.0	-118.89	342.73	2.36	-116.53
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)=C1	REAL300000309272	0	37	-2.0	-110.49	345.20	2.69	-107.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)=CS1	REAL300000309273	0	34	-2.0	-115.88	327.72	2.03	-113.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000309274	0	37	-2.0	-113.39	339.08	2.15	-111.24
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)C=C(C(=O)[O-])S1	REAL300000309275	0	37	-2.0	-116.82	344.68	2.89	-113.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)C=C1F	REAL300000309276	1	37	-2.0	-106.94	340.60	3.04	-103.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)S1	REAL300000309277	0	34	-2.0	-109.18	328.35	2.13	-107.05
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)=C1	REAL300000309278	1	37	-2.0	-111.18	342.49	3.07	-108.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)C(F)=C1	REAL300000309279	0	37	-2.0	-107.20	341.54	3.07	-104.13
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)=C1	REAL300000309280	0	38	-2.0	-118.86	345.79	0.71	-118.15
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(N3C(=O)CNC3=O)=C2)=C1	REAL300000309280	1	38	-2.0	-117.41	344.89	1.59	-115.82
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)C=C1	REAL300000309281	1	40	-2.0	-110.63	358.25	3.79	-106.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C(=O)CNC2=O)=C1	REAL300000309282	1	40	-2.0	-117.46	345.63	3.66	-113.80
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C(=O)CNC2=O)=C1	REAL300000309283	1	40	-2.0	-107.58	351.49	3.77	-103.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)C=C1C(=O)[O-]	REAL300000309284	0	41	-2.0	-120.06	364.21	3.21	-116.85
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)=CC=C1C(=O)[O-]	REAL300000309285	1	40	-2.0	-107.73	352.12	3.55	-104.18
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)=C1F	REAL300000309286	0	37	-2.0	-125.43	339.74	3.04	-122.39
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)=C1	REAL300000309287	0	36	-2.0	-116.59	333.06	1.05	-115.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)=C(Cl)O1	REAL300000309288	0	34	-2.0	-107.45	336.23	1.98	-105.47
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000309289	0	40	-2.0	-113.06	358.21	3.00	-110.06
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=CC=C1C(N)=O	REAL300000309290	1	42	-2.0	-92.56	371.05	1.16	-91.40
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309291	1	35	-2.0	-109.05	319.12	2.60	-106.45
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(N)=O)=C1C	REAL300000309292	0	43	-2.0	-109.14	374.22	3.66	-105.48
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1C(N)=O	REAL300000309293	1	35	-2.0	-99.36	314.57	2.58	-96.78
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309294	1	35	-2.0	-111.85	314.60	2.57	-109.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(N)=O)=C1C	REAL300000309295	0	39	-2.0	-116.57	342.73	2.37	-114.20
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=CC=C1C(N)=O	REAL300000309296	1	39	-2.0	-98.56	346.05	3.87	-94.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)C=C1C(=O)[O-]	REAL300000309297	1	38	-2.0	-112.89	330.55	3.10	-109.79
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=CC=C1C(N)=O	REAL300000309298	0	35	-2.0	-106.79	327.66	3.14	-103.65
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309299	1	35	-2.0	-107.45	327.10	2.97	-104.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)=C1C	REAL300000309300	1	41	-2.0	-113.75	347.70	3.89	-109.86
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CC=C1C(N)=O	REAL300000309301	0	35	-2.0	-108.58	320.07	2.63	-105.95
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=CC=C1C(N)=O	REAL300000309302	1	41	-2.0	-97.56	358.16	4.15	-93.41
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC=C1C(N)=O	REAL300000309303	0	32	-2.0	-106.04	307.80	1.58	-104.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(N)=O)=C1C	REAL300000309304	1	38	-2.0	-111.56	330.04	3.36	-108.20
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309306	0	36	-2.0	-110.05	321.24	1.92	-108.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)=C1	REAL300000309308	0	35	-2.0	-102.26	323.72	2.25	-100.01
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309310	0	32	-2.0	-107.55	306.25	1.61	-105.94
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)=CC(C(=O)[O-])=C1OC	REAL300000309311	1	43	-2.0	-112.50	372.93	2.38	-110.12
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=CC=C1C(N)=O	REAL300000309313	1	45	-2.0	-115.46	369.85	5.20	-110.26
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=CC=C1C(N)=O	REAL300000309314	1	44	-2.0	-113.97	368.49	4.57	-109.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(N)=O)=C1C	REAL300000309315	1	41	-2.0	-109.56	343.53	4.24	-105.32
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(N)=O)=C1C	REAL300000309316	0	42	-2.0	-117.53	365.03	3.14	-114.39
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309317	0	38	-2.0	-110.93	342.68	3.08	-107.85
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309317	1	37	-3.0	-188.45	343.00	3.14	-185.31
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=CC=C1C(N)=O	REAL300000309318	1	42	-2.0	-115.85	358.87	4.46	-111.39
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)C=C(C(=O)[O-])O1	REAL300000309319	0	35	-2.0	-105.18	317.62	1.72	-103.46
CC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309320	1	41	-2.0	-116.54	356.76	2.34	-114.20
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)=C1	REAL300000309321	0	39	-2.0	-113.03	343.60	1.65	-111.38
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=CC=C1C(N)=O	REAL300000309323	0	35	-2.0	-103.45	332.19	3.15	-100.30
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=CC=C1C(N)=O	REAL300000309324	1	39	-2.0	-95.84	361.71	3.39	-92.45
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C(C(N)=O)=CC=C1	REAL300000309326	1	38	-2.0	-102.43	335.33	3.38	-99.05
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=CC=C1C(N)=O	REAL300000309327	1	39	-2.0	-96.80	351.91	2.90	-93.90
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)C=C(C(=O)[O-])S1	REAL300000309329	1	35	-2.0	-108.07	324.31	2.45	-105.62
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=CC=C1C(N)=O	REAL300000309330	0	35	-2.0	-96.82	327.64	3.12	-93.70
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC=C1C(N)=O	REAL300000309331	1	35	-2.0	-98.90	319.10	2.61	-96.29
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC=C1C(N)=O	REAL300000309332	0	32	-2.0	-101.13	306.87	1.70	-99.43
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309333	1	35	-2.0	-102.56	321.00	2.64	-99.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)=C1F	REAL300000309334	0	38	-2.0	-110.10	340.33	3.26	-106.84
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000309335	0	39	-2.0	-101.66	354.91	3.20	-98.46
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC=C1C(N)=O	REAL300000309336	0	35	-2.0	-98.86	320.05	2.63	-96.23
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CC=C1C(N)=O	REAL300000309337	1	35	-2.0	-96.94	327.07	2.98	-93.96
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C(C(N)=O)=CC=C1	REAL300000309338	1	38	-2.0	-104.30	344.05	3.77	-100.53
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=CC=C1C(N)=O	REAL300000309339	1	43	-2.0	-95.17	378.33	3.99	-91.18
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309340	1	35	-2.0	-100.93	325.42	2.67	-98.26
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309341	0	37	-2.0	-96.73	342.79	3.24	-93.49
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CC=C1C(N)=O	REAL300000309342	0	36	-2.0	-110.57	324.31	0.28	-110.29
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC=C1C(N)=O	REAL300000309342	1	36	-2.0	-109.40	321.40	1.11	-108.29
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CC=C1C(N)=O	REAL300000309343	1	38	-2.0	-102.19	336.76	3.35	-98.84
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309344	1	35	-2.0	-102.37	335.30	3.11	-99.26
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=CC=C1C(N)=O	REAL300000309345	1	38	-2.0	-108.20	324.44	3.19	-105.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)=CC(C(=O)[O-])=C1F	REAL300000309346	1	38	-2.0	-110.44	339.43	3.23	-107.21
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)=CC(C(=O)[O-])=C1C	REAL300000309348	1	41	-2.0	-115.05	347.48	3.65	-111.40
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309349	0	37	-2.0	-110.03	341.17	3.65	-106.38
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CC=C1C(N)=O	REAL300000309350	0	35	-2.0	-100.47	326.33	2.69	-97.78
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)C=C1C(=O)[O-]	REAL300000309352	0	38	-2.0	-109.69	336.09	3.18	-106.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)=C1Cl	REAL300000309353	0	38	-2.0	-108.55	346.36	3.70	-104.85
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)=C1	REAL300000309354	0	38	-2.0	-117.29	339.62	3.27	-114.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)C=C1C(=O)[O-]	REAL300000309355	1	41	-2.0	-113.72	348.86	3.75	-109.97
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=CC=C1C(N)=O	REAL300000309357	1	38	-2.0	-101.78	340.94	3.73	-98.05
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000309358	1	38	-2.0	-109.27	345.82	3.53	-105.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)C=C1C(=O)[O-]	REAL300000309359	0	39	-2.0	-111.34	342.55	2.79	-108.55
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)C=C1C(=O)[O-]	REAL300000309361	1	38	-2.0	-105.30	344.47	3.54	-101.76
CC1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309362	0	44	-2.0	-107.19	364.15	4.69	-102.50
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)C=C1C(=O)[O-]	REAL300000309363	0	39	-2.0	-112.25	354.91	3.19	-109.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)=CC=C1C(=O)[O-]	REAL300000309364	1	38	-2.0	-99.60	330.38	3.13	-96.47
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=CC=C1C(N)=O	REAL300000309365	0	40	-2.0	-102.78	357.88	4.75	-98.03
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=CC=C1C(N)=O	REAL300000309367	0	37	-2.0	-119.29	338.35	4.42	-114.87
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CC=C1C(N)=O	REAL300000309368	0	35	-2.0	-116.74	318.26	2.59	-114.15
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)C=C1C(=O)[O-]	REAL300000309369	1	38	-2.0	-103.57	335.77	3.15	-100.42
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309370	1	41	-2.0	-120.23	355.66	4.70	-115.53
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1C(N)=O	REAL300000309371	0	34	-2.0	-109.52	310.80	0.69	-108.83
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(N)=O)=C1C	REAL300000309372	0	39	-2.0	-103.46	342.79	2.36	-101.10
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000309373	0	32	-2.0	-99.40	314.69	1.55	-97.85
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=CC=C1C(N)=O	REAL300000309374	1	42	-2.0	-105.31	360.72	4.46	-100.85
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=CC=C1C(N)=O	REAL300000309375	1	42	-2.0	-109.49	358.68	4.44	-105.05
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2C)C=C(C(=O)[O-])O1	REAL300000309376	0	38	-2.0	-104.68	336.73	2.55	-102.13
CN(C)C(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000309377	0	38	-2.0	-105.80	351.32	5.58	-100.22
CN(C)C(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000309378	0	38	-2.0	-118.85	350.48	5.59	-113.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000309379	0	41	-2.0	-116.91	370.07	6.05	-110.86
CN(C)C(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000309380	0	35	-2.0	-113.30	343.66	4.62	-108.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1C(=O)N(C)C	REAL300000309381	0	41	-2.0	-118.29	371.38	6.33	-111.96
CN(C)C(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000309382	0	39	-2.0	-116.67	362.59	4.88	-111.79
CN(C)C(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000309383	0	35	-2.0	-116.06	342.13	4.63	-111.43
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2C(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000309384	0	38	-2.0	-111.01	358.28	4.68	-106.33
CN(C)C(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000309385	0	35	-2.0	-105.35	348.21	4.67	-100.68
CN(C)C(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000309386	0	39	-2.0	-116.26	365.66	3.24	-113.02
CN(C)C(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000309387	0	41	-2.0	-107.09	378.13	6.30	-100.79
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1C(=O)N(C)C	REAL300000309388	0	41	-2.0	-117.32	360.67	6.22	-111.10
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1C(=O)N(C)C	REAL300000309389	0	41	-2.0	-105.83	365.88	6.37	-99.46
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000309390	0	42	-2.0	-115.02	383.90	5.73	-109.29
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2C(=O)N(C)C)=CC=C1C(=O)[O-]	REAL300000309391	0	41	-2.0	-106.73	366.65	6.13	-100.60
CN(C)C(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000309392	0	37	-2.0	-113.39	352.92	3.60	-109.79
NS(=O)(=O)C1=CC=C(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])N=C1	REAL300000309410	0	35	-2.0	-106.30	338.75	-2.49	-108.79
NS(=O)(=O)C1=CC=C(N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)N=C1	REAL300000309418	1	31	-2.0	-99.06	336.26	-2.24	-101.30
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC3=C(F)C=C(F)C=C32)=C1	REAL300000309441	0	38	-2.0	-110.53	341.97	8.12	-102.41
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=C(F)C=C(F)C=C32)=C1	REAL300000309457	0	36	-2.0	-106.86	323.95	6.34	-100.52
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309482	1	37	-2.0	-118.57	339.80	6.73	-111.84
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309483	1	34	-2.0	-121.29	324.37	5.94	-115.35
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000309486	0	28	-2.0	-125.47	278.08	5.56	-119.91
O=C([O-])C1=CC(F)=CC=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000309487	0	31	-2.0	-91.02	301.16	4.94	-86.08
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000309488	0	27	-2.0	-107.78	281.45	3.92	-103.86
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309489	1	29	-2.0	-113.44	290.41	5.68	-107.76
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309490	1	29	-2.0	-108.78	290.40	5.68	-103.10
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000309491	0	28	-2.0	-114.87	291.79	5.87	-109.00
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309492	0	29	-2.0	-125.42	287.68	5.58	-119.84
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1Br	REAL300000309493	1	31	-2.0	-112.34	309.07	6.47	-105.87
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Br	REAL300000309494	0	28	-2.0	-116.95	286.07	5.99	-110.96
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309497	0	38	-2.0	-93.65	352.60	4.37	-89.28
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309497	1	37	-3.0	-169.15	354.51	4.44	-164.71
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=CC=C1F	REAL300000309498	0	31	-2.0	-96.16	300.66	5.82	-90.34
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300000309500	0	32	-2.0	-114.13	318.88	7.38	-106.75
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000309501	1	37	-2.0	-118.74	332.41	5.23	-113.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000309502	1	33	-2.0	-115.73	313.78	6.48	-109.25
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309503	0	38	-3.0	-185.87	357.66	6.94	-178.93
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000309503	1	39	-2.0	-106.29	354.89	6.89	-99.40
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)S1	REAL300000309504	0	25	-2.0	-109.94	283.19	5.02	-104.92
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000309505	0	34	-2.0	-114.19	329.31	7.80	-106.39
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000309508	1	31	-2.0	-109.13	308.33	6.29	-102.84
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309510	0	31	-2.0	-97.84	296.12	5.79	-92.05
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309511	0	36	-2.0	-125.40	327.32	4.37	-121.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1OC	REAL300000309512	1	36	-2.0	-116.61	328.30	4.50	-112.11
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309514	0	30	-2.0	-108.15	282.66	4.25	-103.90
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000309515	1	28	-2.0	-108.31	301.49	6.27	-102.04
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309516	0	31	-2.0	-113.00	296.22	5.79	-107.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309516	1	30	-3.0	-193.22	298.04	5.85	-187.37
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000309517	1	28	-2.0	-107.18	282.28	5.41	-101.77
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000309518	0	28	-2.0	-112.64	299.44	6.38	-106.26
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000309519	1	31	-2.0	-113.43	308.31	6.29	-107.14
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309520	1	31	-2.0	-119.06	290.98	5.96	-113.10
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000309522	0	31	-2.0	-119.62	294.19	6.64	-112.98
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300000309523	1	31	-2.0	-107.36	321.47	6.71	-100.65
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000309524	1	28	-2.0	-114.28	286.31	5.81	-108.47
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300000309525	0	31	-2.0	-111.15	321.77	6.87	-104.28
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309526	1	33	-2.0	-116.36	310.82	5.71	-110.65
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309527	1	34	-2.0	-118.13	306.48	6.73	-111.40
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000309529	1	28	-2.0	-107.47	292.17	5.86	-101.61
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309530	1	33	-2.0	-128.20	312.35	5.77	-122.43
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309532	1	37	-2.0	-112.14	346.22	6.88	-105.26
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000309533	0	28	-2.0	-115.62	297.90	6.31	-109.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000309534	1	34	-2.0	-114.67	325.10	6.04	-108.63
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309538	0	34	-3.0	-194.51	326.18	5.65	-188.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000309538	1	35	-2.0	-113.78	323.42	5.59	-108.19
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309539	0	35	-2.0	-98.76	327.59	7.07	-91.69
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309539	1	34	-3.0	-175.42	329.50	7.15	-168.27
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000309540	0	25	-2.0	-109.78	278.56	4.91	-104.87
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309542	0	32	-2.0	-124.40	297.84	5.08	-119.32
CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000309543	0	34	-2.0	-95.95	312.11	6.32	-89.63
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309544	0	39	-2.0	-126.41	354.19	3.96	-122.45
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000309545	0	28	-2.0	-113.44	287.64	5.48	-107.96
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000309546	1	28	-2.0	-108.87	303.05	6.32	-102.55
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000309547	0	28	-2.0	-118.26	282.71	5.85	-112.41
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1	REAL300000309548	1	28	-2.0	-114.23	290.87	5.92	-108.31
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000309549	1	30	-2.0	-114.16	297.80	5.96	-108.20
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309550	1	33	-2.0	-110.80	313.29	6.73	-104.07
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300000309551	1	30	-2.0	-107.90	310.25	6.34	-101.56
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000309552	0	25	-2.0	-115.73	261.51	4.29	-111.44
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000309554	0	30	-2.0	-130.23	290.67	6.71	-123.52
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309555	0	30	-3.0	-183.76	311.11	6.42	-177.34
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309555	1	31	-2.0	-92.96	308.29	5.97	-86.99
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=CC=C1Cl	REAL300000309556	0	31	-2.0	-93.52	308.64	6.18	-87.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1Cl	REAL300000309556	1	30	-3.0	-188.47	310.55	6.24	-182.23
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000309559	0	28	-2.0	-114.07	281.47	5.42	-108.65
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000309560	1	28	-2.0	-114.38	275.99	5.36	-109.02
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000309561	1	28	-2.0	-108.00	282.40	5.43	-102.57
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000309563	1	34	-2.0	-118.81	314.06	4.45	-114.36
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309565	1	43	-2.0	-119.59	361.28	8.39	-111.20
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000309566	1	28	-2.0	-111.01	286.32	5.81	-105.20
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1	REAL300000309567	1	28	-2.0	-110.91	290.88	5.92	-104.99
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000309568	0	30	-2.0	-105.02	297.81	5.96	-99.06
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309569	1	35	-2.0	-122.79	325.67	4.18	-118.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000309570	0	28	-2.0	-117.29	283.40	5.09	-112.20
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309571	1	44	-2.0	-121.51	384.73	6.22	-115.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=C1C	REAL300000309572	0	37	-2.0	-93.75	327.17	7.09	-86.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1C	REAL300000309572	1	36	-3.0	-190.83	330.71	7.19	-183.64
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309573	0	32	-2.0	-117.00	314.56	5.60	-111.40
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309574	1	31	-2.0	-112.46	306.36	6.69	-105.77
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300000309575	0	30	-2.0	-120.47	307.38	7.22	-113.25
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309576	0	30	-3.0	-187.01	303.52	5.91	-181.10
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300000309577	0	25	-2.0	-107.57	292.42	5.44	-102.13
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309579	1	33	-2.0	-114.25	307.82	6.57	-107.68
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000309580	0	28	-2.0	-116.67	281.48	5.42	-111.25
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309581	0	37	-2.0	-95.01	339.79	7.37	-87.64
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309581	1	36	-3.0	-174.39	341.62	7.44	-166.95
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309582	1	38	-2.0	-122.54	346.25	5.00	-117.54
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000309583	1	32	-2.0	-112.27	305.32	2.11	-110.16
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309585	1	32	-2.0	-115.90	309.78	6.31	-109.59
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000309586	1	33	-2.0	-113.65	311.60	3.74	-109.91
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000309587	1	36	-2.0	-114.70	329.41	4.48	-110.22
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1OCC	REAL300000309588	1	42	-2.0	-117.15	372.01	6.34	-110.81
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309590	0	27	-3.0	-186.16	291.23	4.87	-181.29
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000309591	1	31	-2.0	-111.79	301.33	2.79	-109.00
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000309593	0	34	-2.0	-93.00	310.69	6.59	-86.41
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309593	1	33	-3.0	-188.29	313.48	6.64	-181.65
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309594	0	34	-2.0	-116.60	306.28	4.32	-112.28
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309595	1	36	-2.0	-123.98	346.19	1.46	-122.52
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1C	REAL300000309596	1	36	-2.0	-111.30	330.57	7.32	-103.98
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C2CC1C	REAL300000309597	1	42	-2.0	-115.82	364.23	6.85	-108.97
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309598	1	34	-2.0	-112.49	324.35	5.95	-106.54
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309599	1	35	-2.0	-116.74	326.02	3.57	-113.17
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309600	1	33	-2.0	-119.01	323.76	0.25	-118.76
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300000309601	1	32	-2.0	-113.79	324.85	5.42	-108.37
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300000309602	1	39	-2.0	-125.76	347.38	6.41	-119.35
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000309603	1	42	-2.0	-131.77	362.68	6.91	-124.86
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309604	1	32	-2.0	-116.48	304.09	2.07	-114.41
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000309605	1	39	-2.0	-127.34	348.83	6.34	-121.00
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000309607	1	34	-2.0	-122.05	315.52	7.57	-114.48
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=CS1	REAL300000309608	0	31	-2.0	-126.83	309.16	5.61	-121.22
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309609	1	38	-2.0	-116.74	346.15	5.80	-110.94
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309610	0	35	-2.0	-96.38	327.26	6.07	-90.31
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300000309612	1	39	-2.0	-120.82	353.81	9.41	-111.41
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000309615	0	28	-2.0	-123.09	275.08	5.35	-117.74
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C2NC(=O)CC2=C1	REAL300000309617	0	33	-2.0	-112.96	324.70	4.30	-108.66
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000309618	1	33	-2.0	-113.33	311.96	5.80	-107.53
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=C2N=C1	REAL300000309619	0	36	-2.0	-135.51	330.92	6.56	-128.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(Cl)=C1	REAL300000309621	0	31	-2.0	-118.12	304.12	6.52	-111.60
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300000309622	0	32	-2.0	-120.14	314.33	5.57	-114.57
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309624	1	33	-2.0	-123.11	323.76	0.25	-122.86
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000309625	1	36	-2.0	-114.20	332.41	5.72	-108.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000309626	0	34	-2.0	-126.15	320.12	6.02	-120.13
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300000309627	1	34	-2.0	-111.55	326.13	2.29	-109.26
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C2C1=O	REAL300000309628	1	35	-2.0	-111.17	335.42	4.55	-106.62
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000309629	1	33	-2.0	-110.47	317.27	6.80	-103.67
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000309630	1	34	-2.0	-113.59	323.72	5.25	-108.34
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300000309631	1	32	-2.0	-111.91	315.57	5.08	-106.83
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309632	1	34	-2.0	-124.45	330.28	2.81	-121.64
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309634	1	36	-2.0	-118.90	346.19	1.46	-117.44
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000309635	0	28	-2.0	-109.87	289.11	5.92	-103.95
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300000309636	0	40	-2.0	-124.52	355.50	4.63	-119.89
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000309637	0	35	-2.0	-132.69	331.43	4.24	-128.45
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309638	1	34	-2.0	-128.12	330.28	2.81	-125.31
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300000309639	1	37	-2.0	-120.13	343.78	7.99	-112.14
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1OC	REAL300000309641	0	36	-2.0	-118.68	333.79	4.56	-114.12
CN1C=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000309643	0	32	-2.0	-110.77	304.54	5.19	-105.58
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000309643	1	31	-3.0	-191.06	304.69	5.21	-185.85
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000309644	0	28	-2.0	-124.77	287.05	4.85	-119.92
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(Br)=C1	REAL300000309645	1	31	-2.0	-116.87	307.48	6.66	-110.21
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C(N)=O	REAL300000309646	0	33	-2.0	-114.90	311.53	1.46	-113.44
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000309647	0	35	-2.0	-94.16	318.46	4.59	-89.57
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309648	0	34	-2.0	-117.86	337.44	6.51	-111.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000309650	1	32	-2.0	-113.83	315.09	5.15	-108.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000309651	1	32	-2.0	-113.67	305.29	4.67	-109.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C(N)=O	REAL300000309654	1	35	-2.0	-111.98	320.17	2.74	-109.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C(N)=O	REAL300000309655	1	36	-2.0	-113.83	331.39	2.67	-111.16
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309656	1	33	-2.0	-104.26	313.29	6.74	-97.52
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CN1C	REAL300000309658	0	36	-2.0	-115.87	333.46	2.95	-112.92
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309659	1	31	-2.0	-112.56	301.80	6.58	-105.98
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=N2)C=C1	REAL300000309661	0	38	-2.0	-116.67	351.55	7.09	-109.58
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300000309663	1	39	-2.0	-116.19	345.05	5.42	-110.77
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C3=C2C1=CC=C3	REAL300000309665	1	36	-2.0	-116.83	333.12	5.14	-111.69
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309666	0	30	-3.0	-181.55	307.15	5.54	-176.01
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000309667	1	29	-2.0	-105.70	305.78	6.10	-99.60
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1Cl	REAL300000309668	1	29	-2.0	-106.45	305.81	6.10	-100.35
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000309669	0	37	-2.0	-94.58	329.30	7.20	-87.38
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000309670	1	32	-2.0	-121.97	307.94	5.66	-116.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C2=CC=CN=C12	REAL300000309671	1	37	-2.0	-120.51	334.88	5.08	-115.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000309672	1	31	-2.0	-115.04	305.04	6.41	-108.63
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000309673	0	28	-2.0	-120.22	291.24	5.85	-114.37
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300000309674	1	28	-2.0	-108.60	292.47	6.06	-102.54
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309676	0	34	-2.0	-110.85	326.04	5.76	-105.09
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000309677	1	38	-2.0	-124.51	338.94	6.95	-117.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000309678	1	31	-2.0	-114.94	296.30	6.00	-108.94
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309679	1	31	-2.0	-110.16	301.80	6.57	-103.59
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300000309680	0	28	-2.0	-109.75	309.92	7.11	-102.64
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309681	0	31	-2.0	-123.33	296.49	6.02	-117.31
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309682	1	31	-2.0	-112.45	291.47	6.13	-106.32
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309684	0	33	-2.0	-129.65	307.97	7.64	-122.01
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300000309685	0	36	-2.0	-119.27	334.88	4.54	-114.73
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309686	1	38	-2.0	-132.31	338.86	4.98	-127.33
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309688	0	36	-2.0	-135.42	330.85	6.57	-128.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CS1	REAL300000309691	0	27	-3.0	-187.90	289.70	4.88	-183.02
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=CS1	REAL300000309691	1	28	-2.0	-95.43	289.20	4.86	-90.57
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000309692	0	31	-2.0	-118.95	311.91	7.18	-111.77
COC1=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000309693	0	39	-2.0	-115.10	354.65	5.59	-109.51
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000309693	1	38	-3.0	-193.01	356.38	5.66	-187.35
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309694	1	37	-2.0	-125.83	345.77	3.59	-122.24
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300000309695	0	30	-2.0	-104.72	310.94	6.53	-98.19
COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000309696	0	35	-2.0	-119.56	323.38	5.86	-113.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300000309697	1	36	-2.0	-119.84	319.68	6.67	-113.17
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300000309699	0	25	-2.0	-112.40	281.89	4.85	-107.55
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309701	1	41	-2.0	-125.09	373.29	5.08	-120.01
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000309702	0	30	-2.0	-122.26	297.06	6.78	-115.48
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309703	0	42	-2.0	-127.04	380.04	4.09	-122.95
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309704	0	41	-2.0	-98.53	349.83	8.04	-90.49
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309704	1	40	-3.0	-194.55	353.28	8.48	-186.07
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000309705	0	40	-2.0	-98.33	349.18	7.43	-90.90
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309705	1	39	-3.0	-191.00	351.10	7.83	-183.17
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300000309706	1	38	-2.0	-119.08	343.77	8.70	-110.38
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000309707	0	30	-2.0	-127.10	302.97	6.66	-120.44
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309708	1	39	-2.0	-127.51	360.33	4.96	-122.55
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300000309711	1	39	-2.0	-128.09	357.64	5.27	-122.82
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309712	0	32	-2.0	-117.15	300.77	3.65	-113.50
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309712	1	32	-2.0	-105.50	294.77	4.51	-100.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000309713	0	37	-2.0	-97.35	324.86	6.95	-90.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309713	1	36	-3.0	-183.08	323.68	7.39	-175.69
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000309714	0	31	-2.0	-122.52	309.10	6.20	-116.32
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-])=C2	REAL300000309715	1	41	-2.0	-126.19	369.39	9.13	-117.06
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309716	0	37	-3.0	-202.05	348.47	6.42	-195.63
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000309716	1	38	-2.0	-121.28	345.79	6.36	-114.92
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000309717	0	33	-3.0	-174.59	324.74	6.34	-168.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000309717	1	32	-4.0	-283.84	326.45	6.41	-277.43
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000309718	0	31	-2.0	-110.48	317.45	5.05	-105.43
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309719	0	38	-2.0	-98.91	339.37	7.32	-91.59
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309719	1	37	-3.0	-194.46	342.29	7.75	-186.71
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1F	REAL300000309720	1	34	-2.0	-116.69	334.66	2.84	-113.85
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C	REAL300000309721	0	36	-2.0	-130.39	329.79	7.92	-122.47
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000309722	1	32	-2.0	-109.16	307.39	5.66	-103.50
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000309723	0	28	-2.0	-114.65	284.49	5.65	-109.00
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000309724	0	38	-2.0	-123.65	365.67	4.22	-119.43
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000309725	0	38	-2.0	-114.89	363.08	4.27	-110.62
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000309726	0	30	-3.0	-181.09	301.05	5.00	-176.09
CC1=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000309726	1	31	-2.0	-93.03	298.74	4.53	-88.50
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000309727	0	31	-2.0	-138.55	297.77	4.49	-134.06
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309728	0	34	-2.0	-121.93	329.84	6.00	-115.93
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309729	0	38	-2.0	-126.80	341.10	6.67	-120.13
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000309730	1	31	-2.0	-106.58	313.89	6.35	-100.23
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309731	1	44	-2.0	-117.80	381.80	7.06	-110.74
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300000309733	0	30	-2.0	-129.40	303.30	7.44	-121.96
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000309734	1	33	-2.0	-127.31	317.91	5.46	-121.85
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000309735	1	41	-2.0	-123.99	360.80	7.88	-116.11
O=C([O-])C1=CC(F)=CC=C1NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000309736	0	37	-2.0	-116.56	338.50	5.55	-111.01
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000309736	1	36	-3.0	-199.50	340.22	5.62	-193.88
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300000309737	1	32	-2.0	-111.00	325.97	6.75	-104.25
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=CC(Br)=C1	REAL300000309738	0	27	-2.0	-108.49	285.90	4.09	-104.40
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309741	0	34	-2.0	-124.42	335.79	2.88	-121.54
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000309742	0	30	-2.0	-133.41	295.60	6.92	-126.49
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309743	0	34	-3.0	-201.75	326.96	4.94	-196.81
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309743	1	35	-2.0	-103.83	324.32	4.46	-99.37
O=C([O-])C1=CC(F)=CC=C1NS(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000309744	0	39	-2.0	-99.79	349.37	6.39	-93.40
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000309745	0	35	-2.0	-117.08	330.15	6.41	-110.67
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300000309746	0	38	-2.0	-115.39	355.57	6.85	-108.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C(Cl)C=C1F	REAL300000309747	0	30	-3.0	-179.28	315.63	6.43	-172.85
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=C(Cl)C=C1F	REAL300000309747	1	31	-2.0	-91.45	312.85	6.01	-85.44
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000309748	0	27	-2.0	-108.17	270.98	3.57	-104.60
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300000309749	0	28	-2.0	-116.79	296.37	5.98	-110.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C(F)(F)F	REAL300000309750	1	34	-2.0	-114.37	324.00	6.81	-107.56
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000309751	1	38	-2.0	-114.40	349.83	6.20	-108.20
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309752	0	31	-2.0	-116.02	317.63	4.95	-111.07
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309753	1	36	-2.0	-106.20	323.54	7.48	-98.72
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300000309754	1	33	-2.0	-119.41	305.74	5.71	-113.70
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300000309755	0	34	-2.0	-123.58	342.82	6.01	-117.57
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000309756	0	27	-2.0	-109.44	294.72	4.43	-105.01
CC1=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300000309757	0	38	-2.0	-96.02	347.24	6.78	-89.24
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C12	REAL300000309759	1	36	-2.0	-112.56	335.91	5.03	-107.53
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C12	REAL300000309760	0	32	-2.0	-107.58	309.33	2.27	-105.31
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000309761	0	28	-2.0	-105.39	285.53	3.81	-101.58
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000309763	0	28	-2.0	-121.54	281.35	5.42	-116.12
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000309764	0	32	-2.0	-120.52	307.57	4.88	-115.64
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300000309765	0	30	-2.0	-122.43	307.39	7.23	-115.20
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000309766	0	34	-2.0	-88.42	314.89	6.58	-81.84
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309766	1	33	-3.0	-179.17	318.75	6.67	-172.50
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000309767	0	34	-2.0	-124.00	312.71	4.94	-119.06
CC1=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CN1C	REAL300000309768	0	31	-2.0	-131.04	293.27	4.18	-126.86
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000309769	0	35	-2.0	-95.75	333.70	6.14	-89.61
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000309769	1	34	-3.0	-173.17	335.33	6.20	-166.97
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000309770	0	32	-2.0	-119.73	307.59	5.34	-114.39
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309771	1	37	-2.0	-120.85	346.23	6.87	-113.98
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000309772	0	31	-2.0	-114.48	295.66	3.85	-110.63
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309773	1	40	-2.0	-111.83	367.72	7.67	-104.16
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CN=C21	REAL300000309774	0	36	-2.0	-108.36	339.26	2.71	-105.65
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309775	1	35	-2.0	-119.68	324.64	5.01	-114.67
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300000309776	0	36	-2.0	-126.05	335.15	5.86	-120.19
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300000309777	0	31	-2.0	-115.31	314.14	6.36	-108.95
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300000309778	0	28	-2.0	-117.97	301.64	5.39	-112.58
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000309779	0	38	-2.0	-120.35	345.48	6.76	-113.59
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000309780	1	33	-2.0	-116.92	305.56	4.58	-112.34
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1F	REAL300000309781	1	37	-2.0	-109.84	350.77	6.89	-102.95
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000309782	0	28	-2.0	-112.33	289.11	5.92	-106.41
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C2)=CO1	REAL300000309783	1	37	-2.0	-121.11	345.97	4.36	-116.75
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000309786	1	32	-2.0	-110.21	313.87	2.14	-108.07
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309787	1	32	-2.0	-120.18	299.07	4.59	-115.59
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309788	1	31	-2.0	-117.15	284.64	6.08	-111.07
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000309789	0	34	-2.0	-121.64	331.21	3.51	-118.13
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000309789	1	33	-3.0	-188.20	326.94	2.42	-185.78
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C(F)C=C1F	REAL300000309795	0	34	-2.0	-110.27	334.38	6.03	-104.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000309796	0	31	-2.0	-122.86	296.49	6.03	-116.83
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000309797	0	32	-2.0	-111.26	328.20	5.71	-105.55
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])O1	REAL300000309799	0	31	-2.0	-111.90	309.12	4.09	-107.81
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000309800	0	33	-2.0	-135.00	309.51	5.92	-129.08
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300000309801	0	34	-2.0	-128.40	336.42	5.94	-122.46
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000309802	0	28	-2.0	-108.10	287.79	5.47	-102.63
CC1=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000309803	0	31	-2.0	-95.32	304.38	5.29	-90.03
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000309803	1	30	-3.0	-184.22	306.67	5.75	-178.47
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1C	REAL300000309804	1	37	-2.0	-120.91	333.91	6.61	-114.30
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309805	0	32	-2.0	-118.31	312.18	5.15	-113.16
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CN=C1Cl	REAL300000309806	0	30	-2.0	-108.91	300.23	4.51	-104.40
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309808	1	37	-2.0	-122.08	346.54	6.74	-115.34
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)N(C)C	REAL300000309810	1	42	-2.0	-113.42	368.21	5.53	-107.89
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C21	REAL300000309811	1	39	-2.0	-141.16	348.75	6.34	-134.82
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309812	0	40	-2.0	-117.30	347.68	5.93	-111.37
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])SC=C1	REAL300000309813	0	28	-2.0	-117.23	277.81	5.11	-112.12
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309814	1	34	-2.0	-114.53	341.10	6.46	-108.07
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1C	REAL300000309815	0	37	-2.0	-116.68	329.01	5.23	-111.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C	REAL300000309816	1	37	-2.0	-113.08	340.37	6.48	-106.60
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000309817	0	33	-2.0	-106.10	313.79	6.47	-99.63
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000309819	1	36	-2.0	-129.70	329.17	3.75	-125.95
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309820	1	37	-2.0	-130.48	354.61	3.50	-126.98
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309821	1	32	-2.0	-111.20	305.84	6.47	-104.73
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1F	REAL300000309822	1	35	-2.0	-127.43	330.75	4.31	-123.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000309823	0	33	-2.0	-113.70	321.96	6.65	-107.05
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CC(Cl)=C2O1	REAL300000309824	1	36	-2.0	-114.69	343.36	6.41	-108.28
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1C	REAL300000309825	1	38	-2.0	-139.22	344.45	5.10	-134.12
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C21	REAL300000309826	1	42	-2.0	-143.70	361.21	6.88	-136.82
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309827	0	32	-2.0	-119.04	307.22	5.76	-113.28
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309828	1	32	-2.0	-108.37	305.82	6.45	-101.92
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300000309830	1	37	-2.0	-124.42	338.27	5.36	-119.06
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1OC	REAL300000309831	1	38	-2.0	-115.95	351.66	5.99	-109.96
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000309832	0	29	-2.0	-112.66	295.87	5.75	-106.91
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C2O1	REAL300000309833	1	33	-2.0	-116.24	313.22	2.95	-113.29
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000309834	0	34	-2.0	-114.93	314.34	4.37	-110.56
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000309835	1	33	-2.0	-119.24	310.54	5.68	-113.56
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000309836	0	34	-2.0	-118.76	328.95	4.06	-114.70
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CN1	REAL300000309837	0	34	-2.0	-128.70	313.55	3.73	-124.97
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000309838	0	31	-2.0	-119.22	311.41	7.10	-112.12
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300000309840	0	37	-2.0	-120.32	341.81	6.66	-113.66
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309842	0	32	-2.0	-114.56	326.71	6.60	-107.96
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000309843	1	28	-2.0	-101.70	288.57	5.47	-96.23
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309844	1	39	-2.0	-115.00	352.20	7.13	-107.87
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CN1C	REAL300000309846	0	35	-2.0	-120.65	330.75	5.40	-115.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(Cl)=C1	REAL300000309848	0	30	-3.0	-175.24	311.09	6.41	-168.83
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C(Cl)=C1	REAL300000309848	1	31	-2.0	-89.48	308.28	5.97	-83.51
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000309849	0	31	-2.0	-97.22	300.54	5.83	-91.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000309849	1	30	-3.0	-176.61	302.55	5.89	-170.72
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309850	1	36	-2.0	-126.74	336.06	4.70	-122.04
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300000309851	0	35	-2.0	-120.30	334.54	6.56	-113.74
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000309852	0	28	-2.0	-114.01	303.77	5.65	-108.36
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300000309853	1	28	-2.0	-107.86	296.58	5.96	-101.90
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309854	1	38	-2.0	-127.15	337.20	5.54	-121.61
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300000309856	1	28	-2.0	-107.66	296.58	5.96	-101.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000309857	0	32	-2.0	-115.35	326.66	5.66	-109.69
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000309858	0	39	-2.0	-122.26	357.32	6.04	-116.22
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300000309859	0	31	-2.0	-108.16	314.39	3.36	-104.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000309860	0	27	-3.0	-179.98	290.30	4.98	-175.00
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309861	0	37	-2.0	-125.08	334.15	6.26	-118.82
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309862	0	31	-2.0	-90.88	302.78	5.85	-85.03
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309862	1	30	-3.0	-183.01	304.46	5.92	-177.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1F	REAL300000309863	0	33	-3.0	-189.17	323.79	6.54	-182.63
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309864	1	42	-2.0	-114.49	362.39	7.35	-107.14
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CN1	REAL300000309865	0	32	-2.0	-117.40	312.98	3.63	-113.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000309866	0	30	-3.0	-178.72	303.49	5.92	-172.80
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000309866	1	31	-2.0	-102.12	301.08	5.47	-96.65
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000309867	0	31	-2.0	-94.67	308.52	6.18	-88.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000309867	1	30	-3.0	-175.16	310.53	6.25	-168.91
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309868	1	31	-2.0	-114.16	289.96	6.11	-108.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1Br	REAL300000309869	1	31	-2.0	-115.20	309.07	6.49	-108.71
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1C	REAL300000309870	1	37	-2.0	-115.13	340.42	6.48	-108.65
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CS1	REAL300000309871	0	31	-2.0	-116.21	316.85	4.97	-111.24
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1F	REAL300000309872	1	34	-2.0	-109.39	328.91	5.97	-103.42
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000309873	0	30	-2.0	-114.10	293.85	3.89	-110.21
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309874	1	32	-2.0	-121.13	311.83	6.47	-114.66
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=CC=C1[O-]	REAL300000309875	1	36	-2.0	-98.49	329.45	2.17	-96.32
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000309878	0	34	-2.0	-88.86	323.61	6.96	-81.90
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309878	1	33	-3.0	-180.86	327.48	7.05	-173.81
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309879	1	34	-2.0	-111.57	323.81	7.06	-104.51
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309880	0	28	-2.0	-111.11	302.79	5.61	-105.50
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309881	1	34	-2.0	-119.40	312.47	6.72	-112.68
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300000309882	0	31	-2.0	-115.03	325.22	7.22	-107.81
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309883	1	31	-2.0	-114.59	297.41	6.02	-108.57
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309885	0	39	-2.0	-94.34	359.87	7.19	-87.15
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309885	1	38	-3.0	-171.47	361.78	7.26	-164.21
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309886	0	34	-2.0	-113.45	327.47	4.76	-108.69
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000309887	1	34	-2.0	-112.99	320.95	4.34	-108.65
O=C([O-])C1=CC(F)=CC=C1NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000309888	0	31	-2.0	-104.38	307.17	5.88	-98.50
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000309888	1	30	-3.0	-179.95	308.86	5.94	-174.01
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309889	0	33	-2.0	-98.38	324.56	6.46	-91.92
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309889	1	32	-3.0	-176.92	326.23	6.52	-170.40
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300000309890	0	31	-2.0	-119.64	322.93	7.16	-112.48
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309891	0	38	-2.0	-125.31	352.52	5.74	-119.57
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309892	1	40	-2.0	-119.62	356.35	7.26	-112.36
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C(F)C=C1F	REAL300000309894	0	31	-2.0	-114.26	301.79	6.05	-108.21
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300000309895	0	34	-2.0	-126.40	321.36	8.35	-118.05
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000309896	1	34	-2.0	-127.18	310.62	7.60	-119.58
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000309897	0	30	-2.0	-116.03	301.57	4.77	-111.26
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000309898	0	33	-2.0	-110.00	329.59	7.15	-102.85
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C(F)(F)F	REAL300000309899	1	32	-2.0	-105.20	326.22	6.47	-98.73
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000309900	0	35	-2.0	-115.16	347.43	4.38	-110.78
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309901	1	31	-2.0	-113.57	302.73	6.60	-106.97
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309902	0	31	-3.0	-184.49	307.75	3.56	-180.93
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309902	1	31	-3.0	-190.68	301.74	4.43	-186.25
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000309903	1	38	-2.0	-121.99	324.89	7.92	-114.07
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309904	0	34	-2.0	-95.74	318.39	6.57	-89.17
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309904	1	33	-3.0	-179.19	320.22	6.64	-172.55
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000309905	1	35	-2.0	-117.46	339.75	4.81	-112.65
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])O1	REAL300000309906	0	34	-2.0	-112.27	330.98	5.02	-107.25
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000309907	0	30	-2.0	-105.89	304.21	6.03	-99.86
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309908	0	33	-2.0	-125.11	325.41	6.34	-118.77
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000309909	1	40	-2.0	-117.16	360.32	6.83	-110.33
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309910	1	33	-2.0	-104.72	325.73	7.10	-97.62
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309911	0	31	-2.0	-127.36	312.32	6.00	-121.36
COC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])SC=C1	REAL300000309912	0	29	-2.0	-123.43	291.75	3.58	-119.85
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309913	1	37	-2.0	-127.54	351.74	3.71	-123.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300000309914	0	34	-2.0	-120.26	326.33	6.39	-113.87
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000309915	0	31	-2.0	-121.54	299.35	5.68	-115.86
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=CC=C2C=C1	REAL300000309916	0	36	-2.0	-137.27	331.09	6.53	-130.74
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300000309917	0	34	-2.0	-118.89	337.18	8.17	-110.72
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C21	REAL300000309918	1	39	-2.0	-112.89	352.88	4.81	-108.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C(Br)S1	REAL300000309919	0	28	-2.0	-108.42	300.76	5.79	-102.63
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300000309920	1	34	-2.0	-118.02	324.99	8.03	-109.99
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC(F)=C1F	REAL300000309921	1	34	-2.0	-104.36	335.19	6.03	-98.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])SC2=CC=CC(F)=C12	REAL300000309922	0	34	-2.0	-120.59	327.22	7.46	-113.13
N#CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309923	1	29	-2.0	-107.17	311.71	6.30	-100.87
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1F	REAL300000309924	0	33	-2.0	-114.31	323.59	6.67	-107.64
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309925	0	30	-2.0	-122.48	302.82	4.03	-118.45
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=NC2=C1Cl	REAL300000309927	0	33	-2.0	-107.27	330.57	5.24	-102.03
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300000309928	0	28	-2.0	-120.98	289.22	6.23	-114.75
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300000309929	1	30	-2.0	-109.77	317.86	5.20	-104.57
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309930	0	28	-2.0	-107.43	284.55	4.24	-103.19
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])N=C1Cl	REAL300000309931	0	28	-2.0	-125.65	289.92	4.12	-121.53
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC(OC)=C1	REAL300000309932	1	36	-2.0	-121.64	328.57	3.90	-117.74
O=C([O-])C1=CC(F)=CC=C1NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000309933	0	31	-2.0	-105.11	317.05	6.31	-98.80
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000309933	1	30	-3.0	-181.85	318.75	6.38	-175.47
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000309934	0	29	-2.0	-123.94	285.42	4.03	-119.91
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])S2)=CS1	REAL300000309935	0	34	-2.0	-117.63	349.04	5.85	-111.78
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309936	0	29	-2.0	-107.22	291.80	3.13	-104.09
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000309937	0	27	-2.0	-113.82	278.11	3.12	-110.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1Cl	REAL300000309938	1	34	-2.0	-109.77	336.89	6.33	-103.44
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309939	1	33	-2.0	-103.44	317.79	6.76	-96.68
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000309940	0	34	-2.0	-113.46	305.09	6.45	-107.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309940	1	33	-3.0	-194.39	308.08	6.50	-187.89
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000309942	1	35	-2.0	-136.36	334.19	3.15	-133.21
CC1=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000309943	0	34	-2.0	-97.04	321.19	6.44	-90.60
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000309944	0	34	-2.0	-96.06	309.71	6.54	-89.52
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000309946	0	29	-2.0	-113.19	298.88	5.97	-107.22
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C(C)N1	REAL300000309947	0	41	-2.0	-117.24	365.59	5.98	-111.26
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000309948	0	31	-2.0	-116.62	301.77	6.06	-110.56
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000309949	0	34	-2.0	-106.01	325.11	6.04	-99.97
CC1=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000309950	0	37	-2.0	-114.52	329.02	6.84	-107.68
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300000309951	1	34	-2.0	-127.82	327.32	8.11	-119.71
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000309952	0	34	-2.0	-119.09	334.69	2.84	-116.25
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000309953	0	32	-3.0	-189.11	324.60	6.94	-182.17
O=C([O-])C1=CC(F)=CC=C1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000309953	1	33	-2.0	-100.46	322.89	6.89	-93.57
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000309954	0	31	-2.0	-115.04	314.91	6.78	-108.26
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309956	0	30	-3.0	-179.02	309.78	5.98	-173.04
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300000309957	1	33	-2.0	-106.92	322.62	6.62	-100.30
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000309958	0	27	-2.0	-114.14	288.58	4.74	-109.40
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309959	0	34	-2.0	-125.33	315.02	5.68	-119.65
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000309960	0	33	-2.0	-108.69	320.32	4.12	-104.57
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000309961	0	27	-2.0	-105.15	295.00	4.48	-100.67
CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000309962	0	37	-2.0	-118.53	328.74	7.19	-111.34
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000309963	0	33	-3.0	-189.85	323.36	6.55	-183.30
CC1=CC(F)=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000309963	1	34	-2.0	-107.32	320.80	6.10	-101.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000309964	0	33	-3.0	-186.23	329.82	6.99	-179.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000309964	1	34	-2.0	-93.51	326.99	6.54	-86.97
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309965	0	33	-3.0	-205.12	323.07	6.54	-198.58
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300000309966	0	28	-2.0	-104.60	296.82	5.77	-98.83
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309967	1	36	-2.0	-128.27	332.66	6.56	-121.71
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000309968	0	35	-2.0	-112.85	329.33	2.90	-109.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000309969	0	33	-2.0	-124.44	319.89	6.14	-118.30
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300000309970	0	28	-2.0	-110.98	292.47	6.06	-104.92
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1Br	REAL300000309971	0	31	-2.0	-118.18	304.27	6.56	-111.62
CCC1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000309972	0	37	-2.0	-96.27	330.50	6.98	-89.29
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000309973	0	39	-2.0	-114.82	346.74	3.82	-111.00
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1C#N	REAL300000309976	0	32	-2.0	-126.91	306.83	6.09	-120.82
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300000309977	0	31	-2.0	-108.76	321.46	6.85	-101.91
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000309978	0	34	-2.0	-86.44	314.57	5.34	-81.10
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000309979	0	37	-2.0	-118.11	342.57	6.94	-111.17
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309980	0	34	-2.0	-124.93	316.90	6.05	-118.88
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000309981	0	36	-2.0	-112.90	327.62	3.03	-109.87
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1F	REAL300000309983	0	31	-2.0	-124.48	295.39	6.00	-118.48
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000309984	1	34	-2.0	-110.91	318.62	2.92	-107.99
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000309985	0	35	-2.0	-132.59	315.52	5.32	-127.27
COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000309986	0	38	-2.0	-120.92	346.62	5.92	-115.00
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000309987	1	35	-2.0	-117.30	324.65	5.02	-112.28
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309988	0	33	-2.0	-117.05	308.85	2.28	-114.77
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000309989	0	31	-2.0	-119.44	301.44	6.44	-113.00
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C(C)O1	REAL300000309991	0	31	-2.0	-114.36	292.53	4.87	-109.49
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300000309992	0	34	-2.0	-123.74	315.83	2.97	-120.77
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C2)CC1	REAL300000309994	1	41	-2.0	-117.30	367.91	7.92	-109.38
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309995	1	37	-2.0	-113.62	352.65	6.94	-106.68
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000309996	1	35	-2.0	-117.05	316.18	5.33	-111.72
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000309997	0	37	-2.0	-107.25	342.81	5.60	-101.65
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000309999	0	31	-2.0	-118.40	303.22	5.70	-112.70
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000310000	1	31	-2.0	-114.65	295.63	3.95	-110.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000310001	0	36	-2.0	-135.15	323.21	7.05	-128.10
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000310002	0	34	-2.0	-121.68	318.85	7.31	-114.37
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300000310003	1	34	-2.0	-107.61	338.19	3.38	-104.23
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000310004	0	30	-2.0	-103.01	302.31	5.99	-97.02
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000310005	0	34	-2.0	-92.78	320.50	6.57	-86.21
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310005	1	33	-3.0	-185.63	324.30	7.04	-178.59
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000310006	1	28	-2.0	-108.48	292.73	5.87	-102.61
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C(C)O1	REAL300000310007	0	34	-2.0	-109.60	327.42	4.85	-104.75
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000310008	0	27	-2.0	-108.46	281.33	3.98	-104.48
CC1=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300000310009	0	34	-2.0	-94.63	327.59	6.75	-87.88
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300000310009	1	33	-3.0	-190.99	329.26	6.81	-184.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])N=C1C	REAL300000310010	0	34	-2.0	-131.01	315.29	5.09	-125.92
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310011	0	31	-2.0	-117.22	307.48	6.66	-110.56
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310012	0	31	-2.0	-118.58	304.12	6.52	-112.06
CCN1C=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000310013	0	35	-2.0	-98.75	325.90	6.06	-92.69
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000310013	1	34	-3.0	-192.87	326.06	6.07	-186.80
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310014	0	31	-2.0	-116.05	309.46	4.04	-112.01
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310015	0	40	-2.0	-117.96	349.06	5.85	-112.11
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CN1C	REAL300000310016	0	38	-2.0	-120.14	352.61	6.33	-113.81
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310017	1	36	-2.0	-113.93	329.27	7.23	-106.70
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000310018	0	28	-2.0	-121.80	285.63	6.09	-115.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(Cl)=N1	REAL300000310019	0	30	-2.0	-116.86	299.47	4.61	-112.25
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310020	0	33	-2.0	-114.97	318.63	5.48	-109.49
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300000310021	0	35	-2.0	-118.17	334.64	6.48	-111.69
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000310022	1	32	-2.0	-114.00	324.78	6.76	-107.24
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000310023	0	30	-2.0	-113.35	299.59	3.87	-109.48
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C12	REAL300000310024	0	35	-2.0	-107.00	330.82	3.01	-103.99
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000310025	0	30	-2.0	-111.39	307.71	5.62	-105.77
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CN=C1Cl	REAL300000310027	0	31	-2.0	-106.99	310.43	3.24	-103.75
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000310028	1	37	-2.0	-113.46	345.51	6.25	-107.21
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300000310029	1	40	-2.0	-116.66	353.77	6.76	-109.90
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000310030	0	30	-2.0	-106.20	305.08	4.62	-101.58
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310031	1	34	-2.0	-114.08	330.78	6.01	-108.07
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(S(=O)(=O)F)C=C1	REAL300000310032	0	31	-2.0	-114.88	314.95	2.51	-112.37
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310033	0	43	-2.0	-117.30	362.51	6.31	-110.99
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(Cl)=C1	REAL300000310035	0	29	-2.0	-108.57	303.47	6.24	-102.33
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000310036	0	31	-2.0	-127.68	297.51	5.60	-122.08
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310037	0	33	-2.0	-113.78	319.53	4.15	-109.63
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000310038	0	25	-2.0	-111.69	273.96	4.02	-107.67
CC1=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300000310039	0	37	-2.0	-127.77	351.23	6.84	-120.93
CC1=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300000310040	0	37	-2.0	-127.91	343.91	4.40	-123.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000310041	1	36	-2.0	-112.05	329.27	7.25	-104.80
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300000310042	0	28	-2.0	-113.94	290.65	5.70	-108.24
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310046	1	40	-2.0	-118.18	361.67	7.65	-110.53
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300000310047	0	28	-2.0	-109.55	304.75	6.40	-103.15
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310048	0	28	-2.0	-110.70	298.57	5.51	-105.19
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(OC)=C1	REAL300000310049	0	38	-2.0	-118.82	352.57	5.74	-113.08
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000310050	1	31	-2.0	-118.34	301.76	6.16	-112.18
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300000310051	0	31	-2.0	-112.86	313.82	6.36	-106.50
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310052	1	31	-2.0	-114.60	312.30	6.56	-108.04
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000310053	0	31	-2.0	-113.41	307.51	4.18	-109.23
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310054	1	32	-2.0	-123.20	305.66	6.36	-116.84
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)F)=C1	REAL300000310055	1	31	-2.0	-118.35	314.94	2.52	-115.83
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300000310057	0	36	-2.0	-113.03	339.02	6.58	-106.45
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(C)=CS1	REAL300000310058	0	34	-2.0	-127.51	324.80	6.47	-121.04
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1F	REAL300000310059	1	32	-2.0	-110.05	305.29	4.67	-105.38
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000310060	0	27	-2.0	-124.17	282.27	5.69	-118.48
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310061	0	27	-2.0	-105.45	263.98	1.71	-103.74
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CN=C21	REAL300000310062	1	33	-2.0	-112.40	313.95	4.42	-107.98
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000310063	0	27	-2.0	-107.23	290.74	5.05	-102.18
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000310065	1	36	-2.0	-117.99	336.78	3.51	-114.48
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300000310066	1	31	-2.0	-107.63	325.06	6.80	-100.83
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000310067	1	34	-2.0	-105.78	333.06	6.12	-99.66
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000310068	0	32	-2.0	-122.71	297.70	4.73	-117.98
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310069	0	29	-2.0	-111.30	303.49	6.25	-105.05
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000310070	0	31	-2.0	-112.84	313.54	4.35	-108.49
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310071	1	34	-2.0	-112.19	295.32	6.81	-105.38
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310073	1	31	-2.0	-110.27	306.36	6.68	-103.59
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300000310074	0	32	-2.0	-132.46	307.96	5.36	-127.10
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310075	0	41	-2.0	-116.98	359.77	6.75	-110.23
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300000310076	0	28	-2.0	-114.71	296.37	5.98	-108.73
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=CC=C12	REAL300000310077	0	36	-2.0	-135.34	327.47	6.47	-128.87
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310079	1	32	-2.0	-120.60	320.84	2.58	-118.02
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000310080	0	29	-2.0	-125.10	294.35	3.60	-121.50
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310081	0	31	-2.0	-114.50	294.15	2.77	-111.73
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300000310082	0	28	-2.0	-119.86	295.66	5.96	-113.90
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1OC	REAL300000310083	0	38	-2.0	-113.69	351.65	6.00	-107.69
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-])OCO2	REAL300000310085	1	34	-2.0	-113.06	311.07	4.73	-108.33
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310087	0	34	-2.0	-112.24	316.08	6.40	-105.84
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000310088	0	34	-2.0	-104.70	326.04	6.72	-97.98
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000310088	1	33	-3.0	-187.68	331.81	6.92	-180.76
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000310089	1	38	-2.0	-117.85	340.24	5.13	-112.72
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C2CCC(=O)C2=C1	REAL300000310090	0	34	-2.0	-123.88	330.78	6.84	-117.04
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000310092	0	31	-2.0	-121.23	314.52	2.78	-118.45
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000310092	1	30	-3.0	-187.40	311.24	1.65	-185.75
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000310093	1	35	-2.0	-116.81	330.76	4.31	-112.50
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1OC	REAL300000310094	0	36	-2.0	-114.55	341.39	5.06	-109.49
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300000310095	1	32	-2.0	-113.15	315.05	4.94	-108.21
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000310096	1	31	-2.0	-106.11	313.90	6.35	-99.76
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000310097	0	33	-2.0	-115.96	326.38	0.90	-115.06
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310098	1	32	-2.0	-121.90	294.20	6.62	-115.28
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310099	1	32	-2.0	-120.60	311.82	6.46	-114.14
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000310100	0	28	-2.0	-110.59	299.44	6.36	-104.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(N)=NO1	REAL300000310102	0	29	-2.0	-107.96	277.11	2.66	-105.30
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-])OCC(=O)N2	REAL300000310103	0	38	-2.0	-119.93	348.54	2.31	-117.62
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310104	0	32	-2.0	-119.39	314.57	5.60	-113.79
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000310105	0	29	-2.0	-112.13	297.08	4.06	-108.07
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310108	1	35	-2.0	-118.53	314.55	5.37	-113.16
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1Br	REAL300000310109	1	29	-2.0	-105.75	310.07	6.19	-99.56
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300000310111	0	30	-2.0	-107.68	319.45	6.53	-101.15
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000310112	0	26	-2.0	-106.91	282.09	4.84	-102.07
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300000310113	0	30	-2.0	-104.15	315.74	6.40	-97.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000310114	0	30	-2.0	-114.94	286.18	4.13	-110.81
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000310115	0	33	-2.0	-118.75	310.77	5.66	-113.09
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000310116	0	34	-2.0	-117.11	329.82	6.02	-111.09
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000310117	0	34	-2.0	-111.12	328.89	5.98	-105.14
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310118	0	36	-2.0	-124.88	345.72	7.13	-117.75
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1C#N	REAL300000310119	1	32	-2.0	-109.21	309.54	6.18	-103.03
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000310120	0	27	-2.0	-102.64	287.31	3.97	-98.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000310121	0	32	-2.0	-120.37	304.55	4.65	-115.72
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300000310122	1	34	-2.0	-116.72	330.60	7.09	-109.63
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000310124	1	31	-2.0	-115.58	303.76	6.22	-109.36
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000310125	1	38	-2.0	-123.73	343.78	8.71	-115.02
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])N(C)N=C1	REAL300000310127	0	31	-2.0	-110.92	286.46	3.76	-107.16
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310128	0	37	-2.0	-121.23	351.70	6.93	-114.30
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CN1C	REAL300000310129	0	40	-2.0	-117.63	371.59	6.50	-111.13
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])O1	REAL300000310131	0	26	-2.0	-108.63	273.51	3.84	-104.79
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C(F)C=C1C	REAL300000310132	0	40	-2.0	-117.22	367.72	7.47	-109.75
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000310133	0	25	-2.0	-113.51	260.68	4.20	-109.31
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310134	1	42	-2.0	-128.68	381.12	3.49	-125.19
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310135	0	39	-2.0	-127.38	352.91	4.80	-122.58
CC1=CC(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000310136	0	34	-2.0	-98.27	313.19	6.40	-91.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000310137	1	31	-2.0	-110.76	296.76	1.98	-108.78
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000310138	0	28	-2.0	-116.94	291.81	5.87	-111.07
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310140	1	39	-2.0	-113.25	347.71	6.41	-106.84
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310141	0	37	-2.0	-119.23	347.10	8.07	-111.16
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310142	0	37	-2.0	-118.58	342.93	7.78	-110.80
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300000310143	0	31	-2.0	-113.43	310.87	7.16	-106.27
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000310144	0	31	-2.0	-120.08	306.09	6.66	-113.42
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310145	1	40	-2.0	-122.88	368.39	7.65	-115.23
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310146	0	41	-2.0	-124.83	374.38	6.66	-118.17
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1C	REAL300000310147	1	40	-2.0	-115.70	362.28	7.40	-108.30
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=C2O1	REAL300000310148	0	39	-2.0	-131.47	347.30	6.51	-124.96
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300000310149	1	32	-2.0	-104.80	326.24	6.47	-98.33
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000310150	0	31	-2.0	-121.96	296.19	3.92	-118.04
N#CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310151	0	29	-2.0	-122.01	307.37	6.08	-115.93
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310152	1	34	-2.0	-108.49	324.13	7.07	-101.42
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310153	1	35	-2.0	-120.64	320.93	5.52	-115.12
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000310154	0	28	-2.0	-117.89	291.92	6.15	-111.74
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C2C=C1	REAL300000310156	1	37	-2.0	-121.79	336.87	8.22	-113.57
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000310157	0	25	-2.0	-113.16	277.56	4.74	-108.42
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310158	0	28	-2.0	-116.25	283.15	4.95	-111.30
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000310159	1	41	-2.0	-121.65	365.59	5.65	-116.00
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000310160	0	25	-2.0	-112.51	267.86	2.10	-110.41
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300000310161	0	33	-2.0	-125.67	324.10	6.35	-119.32
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000310162	0	27	-2.0	-112.94	276.50	3.41	-109.53
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310163	1	35	-2.0	-113.58	337.81	5.59	-107.99
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310164	0	37	-2.0	-112.49	334.11	4.36	-108.13
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000310165	1	37	-2.0	-111.57	338.75	3.85	-107.72
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000310166	0	35	-3.0	-182.97	341.29	8.05	-174.92
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000310169	0	31	-2.0	-114.99	305.76	5.75	-109.24
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300000310170	0	31	-2.0	-119.67	322.09	7.29	-112.38
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310171	0	27	-2.0	-110.00	278.07	3.59	-106.41
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300000310172	0	30	-2.0	-113.12	313.23	7.29	-105.83
O=C([O-])C1=CC(F)=CC=C1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000310174	0	32	-2.0	-97.50	312.10	4.85	-92.65
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300000310174	1	32	-2.0	-109.92	318.08	3.99	-105.93
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300000310175	0	34	-2.0	-111.84	323.05	6.59	-105.25
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300000310176	0	30	-2.0	-107.97	318.37	5.09	-102.88
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000310179	0	25	-2.0	-114.76	267.86	4.33	-110.43
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CC=C2NC1=O	REAL300000310180	1	37	-2.0	-112.92	340.65	5.04	-107.88
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300000310181	0	34	-2.0	-130.50	330.41	3.72	-126.78
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(C(F)(F)F)=N1	REAL300000310182	0	31	-2.0	-117.32	308.22	4.14	-113.18
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000310183	1	37	-2.0	-118.36	334.41	6.89	-111.47
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000310184	1	29	-2.0	-105.64	296.28	5.72	-99.92
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300000310187	0	33	-2.0	-109.67	319.28	6.54	-103.13
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000310188	0	34	-2.0	-97.41	314.04	6.23	-91.18
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300000310189	0	29	-2.0	-116.57	302.47	4.58	-111.99
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000310190	0	32	-3.0	-207.31	321.78	7.70	-199.61
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300000310192	0	32	-2.0	-118.48	320.86	5.15	-113.33
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CC=C2N=C1Cl	REAL300000310193	1	36	-2.0	-113.84	346.07	6.67	-107.17
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C(F)C=C1C	REAL300000310195	0	37	-2.0	-116.95	345.85	6.55	-110.40
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000310196	0	28	-2.0	-107.99	302.16	5.48	-102.51
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000310197	0	33	-2.0	-122.27	306.57	2.20	-120.07
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000310198	0	31	-2.0	-118.56	299.69	5.92	-112.64
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CN=C1C	REAL300000310199	0	36	-2.0	-109.62	335.81	4.63	-104.99
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000310200	0	29	-2.0	-105.98	292.95	4.15	-101.83
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310201	0	30	-2.0	-107.64	297.14	4.67	-102.97
CC1=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C(Br)N1C	REAL300000310202	0	31	-2.0	-128.55	311.34	4.68	-123.87
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300000310203	1	34	-2.0	-110.16	324.00	6.80	-103.36
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310204	1	37	-2.0	-123.02	346.53	6.73	-116.29
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300000310205	1	30	-2.0	-106.66	309.34	5.16	-101.50
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=NN1C	REAL300000310209	0	31	-2.0	-113.41	290.24	3.53	-109.88
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000310210	1	32	-2.0	-118.57	300.67	6.38	-112.19
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310211	1	41	-2.0	-130.73	363.53	6.15	-124.58
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310212	0	31	-2.0	-115.52	292.96	3.65	-111.87
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310213	1	35	-2.0	-116.89	341.39	5.51	-111.38
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310214	0	28	-2.0	-106.91	285.44	3.89	-103.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300000310215	1	43	-2.0	-116.44	382.52	8.12	-108.32
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300000310217	1	33	-2.0	-114.50	316.00	2.49	-112.01
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000310218	0	28	-2.0	-113.87	285.22	2.82	-111.05
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000310219	0	34	-2.0	-114.82	320.22	5.02	-109.80
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310220	1	41	-2.0	-117.07	379.44	5.66	-111.41
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=CC=C12	REAL300000310221	1	42	-2.0	-123.57	364.04	7.45	-116.12
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300000310223	1	30	-2.0	-114.82	317.76	5.22	-109.60
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000310224	0	36	-2.0	-118.95	343.36	4.94	-114.01
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300000310225	0	36	-2.0	-107.94	340.73	3.86	-104.08
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310227	1	41	-2.0	-118.08	365.85	6.57	-111.51
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1Cl	REAL300000310228	1	32	-2.0	-110.93	315.10	5.15	-105.78
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000310229	0	32	-2.0	-125.12	321.16	1.93	-123.19
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000310230	0	30	-3.0	-203.76	301.68	5.88	-197.88
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000310231	0	25	-2.0	-120.65	268.94	3.29	-117.36
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000310232	0	30	-2.0	-128.87	300.78	4.71	-124.16
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000310233	1	33	-2.0	-120.69	305.38	5.13	-115.56
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000310235	0	34	-2.0	-128.19	320.09	7.60	-120.59
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300000310236	0	31	-2.0	-122.42	309.73	4.37	-118.05
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310237	0	31	-2.0	-118.36	296.70	6.80	-111.56
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300000310238	0	32	-2.0	-113.76	314.00	5.41	-108.35
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000310239	0	33	-2.0	-127.88	305.83	5.11	-122.77
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000310240	1	37	-2.0	-118.77	351.99	6.78	-111.99
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300000310241	0	37	-2.0	-120.66	339.48	8.32	-112.34
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300000310242	0	32	-2.0	-114.14	324.32	5.86	-108.28
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000310248	0	31	-2.0	-124.50	299.49	6.25	-118.25
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000310249	0	27	-2.0	-108.96	294.62	4.49	-104.47
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1Br	REAL300000310250	0	28	-2.0	-109.70	293.14	3.45	-106.25
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000310251	1	33	-2.0	-116.72	313.43	3.75	-112.97
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000310253	0	34	-2.0	-103.47	317.36	6.34	-97.13
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000310253	1	33	-3.0	-185.50	323.00	6.53	-178.97
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310255	0	32	-2.0	-119.38	304.24	5.14	-114.24
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300000310256	1	31	-2.0	-106.73	309.17	4.39	-102.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000310257	1	36	-2.0	-115.78	332.03	7.13	-108.65
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310258	0	44	-2.0	-126.50	374.01	7.40	-119.10
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000310260	0	31	-2.0	-107.46	312.83	2.52	-104.94
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310261	0	27	-2.0	-107.36	266.53	3.25	-104.11
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000310262	1	32	-2.0	-112.92	319.65	3.45	-109.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1Cl	REAL300000310263	1	31	-2.0	-112.09	305.04	6.40	-105.69
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000310264	1	34	-2.0	-127.17	317.70	6.28	-120.89
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C2)=N1	REAL300000310265	1	37	-2.0	-116.67	355.82	6.76	-109.91
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310266	0	37	-2.0	-123.13	350.14	6.64	-116.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000310267	0	30	-2.0	-124.44	304.16	6.49	-117.95
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C(F)(F)F	REAL300000310269	0	30	-2.0	-105.62	307.06	5.27	-100.35
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000310270	1	31	-2.0	-110.96	311.59	3.48	-107.48
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000310271	0	27	-2.0	-121.18	270.09	3.47	-117.71
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000310274	0	27	-2.0	-106.82	270.99	3.44	-103.38
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=NC(Cl)=CC=C2S1	REAL300000310276	0	30	-2.0	-116.01	320.17	5.27	-110.74
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=CS1	REAL300000310277	0	26	-2.0	-120.42	279.98	4.68	-115.74
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000310280	1	28	-2.0	-107.92	292.17	5.86	-102.06
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000310281	0	37	-2.0	-127.46	331.27	5.64	-121.82
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300000310282	1	35	-2.0	-121.52	334.69	3.15	-118.37
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000310283	0	36	-2.0	-127.54	321.76	6.50	-121.04
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310284	0	38	-2.0	-118.86	343.11	4.28	-114.58
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000310285	0	37	-2.0	-116.58	351.68	6.94	-109.64
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])S2)C1	REAL300000310290	0	39	-2.0	-117.11	359.37	5.73	-111.38
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000310291	1	43	-2.0	-120.79	379.46	7.64	-113.15
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310293	1	35	-2.0	-128.44	325.52	2.73	-125.71
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300000310296	1	40	-2.0	-117.11	353.82	6.71	-110.40
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=C2)=N1	REAL300000310297	1	40	-2.0	-118.47	362.64	5.19	-113.28
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C	REAL300000310298	1	39	-2.0	-121.44	355.28	4.47	-116.97
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310299	0	33	-2.0	-101.60	325.32	7.13	-94.47
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300000310302	0	35	-2.0	-126.86	336.08	7.09	-119.77
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])N1C	REAL300000310303	0	31	-2.0	-115.55	288.94	4.26	-111.29
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1F	REAL300000310304	0	34	-2.0	-119.89	334.40	6.03	-113.86
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310305	1	41	-2.0	-121.30	359.60	6.95	-114.35
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300000310308	0	41	-2.0	-117.60	372.02	7.63	-109.97
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000310309	0	33	-2.0	-121.59	314.79	7.37	-114.22
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CN1CC1CC1	REAL300000310310	0	41	-2.0	-132.39	368.45	7.24	-125.15
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])O1	REAL300000310311	0	34	-2.0	-113.04	327.02	4.67	-108.37
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C2C1	REAL300000310312	1	39	-2.0	-123.49	353.36	5.79	-117.70
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000310313	0	31	-2.0	-114.71	309.33	4.79	-109.92
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300000310315	1	36	-2.0	-114.53	333.25	7.63	-106.90
O=C([O-])C1=CC(F)=CC=C1NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000310316	0	37	-2.0	-102.34	336.89	7.91	-94.43
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000310316	1	36	-3.0	-204.49	339.08	7.97	-196.52
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310317	0	31	-2.0	-104.02	311.18	3.92	-100.10
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000310318	0	27	-2.0	-113.83	286.95	3.90	-109.93
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300000310319	1	38	-2.0	-130.96	335.68	8.70	-122.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(F)=C1F	REAL300000310321	0	31	-2.0	-121.76	301.66	6.07	-115.69
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300000310322	0	27	-2.0	-113.94	291.55	3.97	-109.97
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=N1	REAL300000310324	0	30	-2.0	-129.31	296.67	4.27	-125.04
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(C)=N1	REAL300000310325	0	40	-2.0	-115.29	357.49	6.05	-109.24
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310327	0	29	-3.0	-191.81	294.25	3.97	-187.84
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310328	0	32	-2.0	-112.30	298.46	5.27	-107.03
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000310330	1	40	-2.0	-115.17	347.79	7.55	-107.62
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310331	1	29	-2.0	-107.15	296.83	5.75	-101.40
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1C(F)(F)F	REAL300000310333	0	31	-2.0	-110.91	302.72	3.92	-106.99
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000310334	0	30	-2.0	-129.11	292.75	4.48	-124.63
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000310334	1	30	-2.0	-116.42	292.85	4.34	-112.08
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000310335	0	32	-2.0	-126.55	303.32	5.26	-121.29
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310336	0	38	-2.0	-115.81	330.57	5.41	-110.40
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(C(C)(C)C)=N1	REAL300000310337	0	40	-2.0	-113.21	334.97	5.82	-107.39
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000310339	0	38	-2.0	-116.09	336.98	5.63	-110.46
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310340	0	31	-2.0	-108.42	303.90	4.19	-104.23
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(Br)=N1	REAL300000310341	0	28	-2.0	-115.07	294.77	3.49	-111.58
O=C([O-])C1=CC(F)=CC=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000310345	0	29	-2.0	-98.83	279.75	3.91	-94.92
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000310345	1	29	-2.0	-111.10	285.76	3.05	-108.05
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310347	0	34	-2.0	-112.74	308.75	4.34	-108.40
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000310348	1	33	-2.0	-116.21	314.59	5.76	-110.45
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000310349	0	28	-2.0	-109.83	274.79	2.64	-107.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(C#N)=C1	REAL300000310350	0	32	-2.0	-124.38	309.08	6.24	-118.14
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310351	0	32	-2.0	-123.07	301.33	6.53	-116.54
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000310352	1	31	-2.0	-111.31	306.26	6.19	-105.12
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000310355	1	35	-2.0	-120.45	333.33	7.25	-113.20
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310357	0	28	-2.0	-107.13	288.82	1.09	-106.04
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310358	0	42	-2.0	-120.84	369.89	4.96	-115.88
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000310360	0	24	-2.0	-109.23	256.32	2.99	-106.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310363	0	34	-3.0	-182.63	326.24	5.65	-176.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(F)C=C1C(=O)[O-]	REAL300000310363	1	35	-2.0	-106.81	323.42	5.60	-101.21
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000310364	0	32	-2.0	-112.80	309.09	0.90	-111.90
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310365	1	37	-2.0	-111.90	316.77	7.60	-104.30
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000310366	0	28	-2.0	-120.64	283.94	5.41	-115.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C(Cl)O1	REAL300000310368	0	27	-3.0	-176.17	298.14	4.83	-171.34
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000310369	1	33	-2.0	-127.93	305.82	5.80	-122.13
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310370	0	35	-2.0	-118.91	330.99	5.48	-113.43
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1F	REAL300000310371	0	29	-2.0	-120.84	295.38	5.71	-115.13
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])N=N1	REAL300000310372	0	27	-2.0	-119.31	268.37	1.61	-117.70
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310373	0	31	-2.0	-108.15	324.14	4.57	-103.58
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C21	REAL300000310374	1	42	-2.0	-115.29	365.14	5.37	-109.92
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C21	REAL300000310375	1	42	-2.0	-141.59	370.41	7.23	-134.36
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000310376	0	35	-2.0	-115.65	319.48	4.96	-110.69
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000310377	0	35	-2.0	-113.05	316.47	5.17	-107.88
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000310378	0	38	-2.0	-114.43	338.78	5.91	-108.52
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310379	0	41	-2.0	-126.91	374.37	6.67	-120.24
O=C([O-])C1=CC(F)=CC=C1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000310380	0	29	-2.0	-95.87	305.91	4.86	-91.01
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000310380	1	28	-3.0	-207.49	308.55	4.90	-202.59
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300000310381	0	33	-2.0	-122.73	321.25	4.31	-118.42
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300000310381	1	32	-3.0	-214.56	318.01	5.25	-209.31
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=NN2C1	REAL300000310382	0	39	-2.0	-122.70	344.62	3.30	-119.40
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300000310383	0	34	-2.0	-117.59	336.42	6.20	-111.39
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000310384	1	34	-2.0	-114.99	320.30	2.52	-112.47
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000310385	0	25	-2.0	-114.75	270.24	4.01	-110.74
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000310386	1	32	-2.0	-107.05	315.45	4.84	-102.21
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000310387	0	35	-2.0	-120.93	313.96	5.31	-115.62
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1F	REAL300000310388	0	32	-2.0	-114.24	310.78	4.73	-109.51
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310390	0	38	-2.0	-122.53	344.03	6.69	-115.84
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310391	0	31	-2.0	-114.22	294.32	5.96	-108.26
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=C2O1	REAL300000310392	0	36	-2.0	-129.65	327.01	5.88	-123.77
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000310393	0	36	-2.0	-115.09	338.25	4.96	-110.13
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C2)CC1	REAL300000310394	1	36	-2.0	-120.95	337.82	7.50	-113.45
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310395	0	32	-2.0	-121.18	306.04	5.96	-115.22
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300000310396	0	34	-2.0	-123.50	323.26	5.91	-117.59
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C21	REAL300000310397	1	42	-2.0	-140.25	369.01	6.90	-133.35
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000310398	0	25	-2.0	-113.77	275.00	4.73	-109.04
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310399	0	28	-2.0	-105.85	290.52	3.46	-102.39
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000310400	0	30	-2.0	-107.12	303.47	4.45	-102.67
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310401	0	33	-2.0	-132.75	310.27	4.90	-127.85
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310402	0	30	-2.0	-106.49	285.77	2.58	-103.91
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000310404	1	29	-2.0	-106.06	284.46	4.08	-101.98
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000310405	0	31	-2.0	-120.71	308.42	6.72	-113.99
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000310406	0	31	-2.0	-131.59	314.49	4.99	-126.60
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310407	0	35	-2.0	-112.22	321.52	5.02	-107.20
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1OC	REAL300000310409	0	36	-2.0	-117.80	321.44	5.04	-112.76
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300000310410	1	37	-2.0	-120.42	337.90	2.51	-117.91
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CC=C1Br	REAL300000310411	1	29	-2.0	-106.25	310.09	6.19	-100.06
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000310412	0	31	-2.0	-121.07	299.35	5.57	-115.50
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1OC	REAL300000310413	0	36	-2.0	-127.11	329.06	5.62	-121.49
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(C2CCCC2)=N1	REAL300000310414	0	41	-2.0	-120.86	358.33	6.20	-114.66
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C2=CC=CC=C2S1	REAL300000310415	0	32	-2.0	-121.45	320.43	7.23	-114.22
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000310416	0	35	-2.0	-117.97	324.88	5.22	-112.75
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000310418	0	31	-2.0	-125.79	299.01	4.49	-121.30
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=CC=C21	REAL300000310419	0	33	-2.0	-137.20	314.12	3.69	-133.51
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=C21	REAL300000310420	0	35	-2.0	-118.01	310.25	7.26	-110.75
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CN=C1N	REAL300000310421	1	32	-2.0	-117.14	297.59	2.99	-114.15
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310422	0	28	-2.0	-114.98	286.87	1.16	-113.82
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000310424	1	31	-2.0	-115.17	303.30	5.67	-109.50
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(C2CCC2)=N1	REAL300000310425	0	38	-2.0	-119.66	341.10	5.70	-113.96
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310426	1	46	-2.0	-120.63	383.09	9.19	-111.44
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000310427	0	25	-2.0	-113.13	275.41	4.83	-108.30
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000310428	0	38	-2.0	-116.48	343.57	5.93	-110.55
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000310429	0	32	-2.0	-121.42	307.70	6.41	-115.01
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300000310430	0	39	-2.0	-123.04	368.10	8.10	-114.94
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000310431	1	41	-2.0	-126.45	359.39	3.70	-122.75
COC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000310432	0	37	-2.0	-143.80	335.00	6.49	-137.31
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310433	1	37	-2.0	-119.67	333.97	7.50	-112.17
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310434	0	34	-2.0	-109.66	325.85	3.63	-106.03
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310435	0	29	-2.0	-118.71	294.09	5.65	-113.06
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310436	0	35	-2.0	-116.61	315.27	4.82	-111.79
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000310437	0	32	-2.0	-102.92	326.02	6.63	-96.29
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310440	0	37	-2.0	-110.06	316.57	5.19	-104.87
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000310441	0	37	-2.0	-116.12	334.07	5.01	-111.11
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000310442	0	35	-2.0	-116.20	318.16	4.39	-111.81
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=CN=C1C(F)(F)F	REAL300000310443	0	33	-2.0	-107.17	320.50	5.11	-102.06
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000310444	0	39	-2.0	-115.56	343.84	6.12	-109.44
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C([N+](=O)[O-])=C1	REAL300000310445	0	30	-2.0	-99.81	308.61	6.04	-93.77
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300000310446	1	31	-2.0	-107.30	314.73	6.36	-100.94
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000310447	1	31	-2.0	-116.41	297.58	6.11	-110.30
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000310448	0	28	-2.0	-114.60	291.15	5.66	-108.94
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000310449	0	28	-2.0	-108.28	301.31	5.39	-102.89
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310450	0	31	-2.0	-111.01	291.75	3.51	-107.50
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300000310452	1	31	-2.0	-106.28	321.47	6.71	-99.57
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1C	REAL300000310453	1	34	-2.0	-118.27	302.07	6.60	-111.67
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000310454	1	31	-2.0	-124.25	289.20	6.56	-117.69
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310455	1	39	-2.0	-127.65	354.16	7.32	-120.33
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000310457	1	38	-2.0	-120.82	349.82	6.98	-113.84
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310459	0	33	-2.0	-112.27	328.36	5.76	-106.51
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000310460	1	37	-2.0	-117.89	348.01	6.95	-110.94
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000310461	0	29	-2.0	-116.28	302.20	6.14	-110.14
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300000310462	0	37	-2.0	-126.04	343.73	5.25	-120.79
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000310463	0	28	-2.0	-115.58	289.15	5.52	-110.06
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000310464	1	35	-2.0	-119.95	318.79	7.40	-112.55
COC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=CS1	REAL300000310465	0	29	-2.0	-120.57	291.84	3.73	-116.84
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300000310466	0	31	-2.0	-113.19	300.53	6.71	-106.48
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310467	0	34	-2.0	-112.48	334.55	5.60	-106.88
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000310468	0	35	-2.0	-122.64	324.29	7.46	-115.18
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000310469	0	38	-2.0	-114.06	334.39	5.90	-108.16
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310470	0	37	-2.0	-113.42	329.54	5.17	-108.25
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000310471	1	37	-2.0	-122.90	340.82	2.81	-120.09
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310473	0	31	-2.0	-125.70	323.52	1.79	-123.91
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C2=N1	REAL300000310474	0	33	-2.0	-128.58	313.18	3.65	-124.93
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])O1	REAL300000310475	0	31	-2.0	-117.62	295.66	4.89	-112.73
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000310476	0	28	-2.0	-110.02	293.43	4.52	-105.50
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310477	0	32	-2.0	-111.49	310.53	5.21	-106.28
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(C2CCOCC2)=N1	REAL300000310478	0	42	-2.0	-117.35	367.92	4.43	-112.92
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310479	1	34	-2.0	-118.36	322.79	6.82	-111.54
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000310480	1	32	-2.0	-117.30	308.83	4.87	-112.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000310482	0	29	-2.0	-114.12	293.36	3.74	-110.38
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C2=NC=CC=C12	REAL300000310483	0	39	-2.0	-136.02	341.00	7.58	-128.44
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000310485	0	31	-2.0	-111.80	302.25	3.98	-107.82
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310486	1	38	-2.0	-119.79	346.50	5.98	-113.81
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000310487	0	31	-2.0	-112.29	321.25	4.75	-107.54
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310488	0	38	-2.0	-114.68	349.25	6.48	-108.20
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000310489	0	41	-2.0	-115.63	355.97	6.23	-109.40
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000310491	1	31	-2.0	-117.31	290.14	6.26	-111.05
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310492	1	40	-2.0	-120.91	358.27	8.22	-112.69
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000310493	0	31	-2.0	-124.03	296.58	5.64	-118.39
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000310494	1	30	-2.0	-119.60	300.53	4.67	-114.93
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=N1	REAL300000310495	0	30	-2.0	-115.12	290.29	2.16	-112.96
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000310496	0	31	-2.0	-110.96	311.25	4.22	-106.74
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300000310497	0	30	-2.0	-112.28	310.59	4.56	-107.72
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300000310498	0	33	-2.0	-129.11	326.04	6.47	-122.64
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000310499	0	25	-2.0	-111.19	269.33	3.90	-107.29
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300000310500	1	33	-2.0	-126.92	322.78	6.26	-120.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000310501	1	37	-2.0	-128.08	328.34	8.13	-119.95
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000310503	1	42	-2.0	-113.80	373.71	6.77	-107.03
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000310504	0	28	-2.0	-112.74	297.09	5.90	-106.84
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])O1	REAL300000310505	0	34	-2.0	-131.00	333.20	1.58	-129.42
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300000310506	0	38	-2.0	-121.56	345.26	6.64	-114.92
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000310508	0	32	-2.0	-117.94	313.40	6.61	-111.33
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000310509	1	31	-2.0	-105.53	315.03	6.10	-99.43
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300000310511	0	24	-2.0	-105.84	273.51	3.72	-102.12
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1	REAL300000310512	1	38	-2.0	-116.87	356.26	7.19	-109.68
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1OC	REAL300000310513	0	33	-2.0	-115.29	322.53	3.30	-111.99
O=C([O-])C1=CC(F)=CC=C1NS(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000310514	0	29	-2.0	-83.99	303.37	3.89	-80.10
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000310514	1	28	-3.0	-177.63	306.16	4.33	-173.30
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000310515	0	27	-2.0	-102.24	287.20	3.92	-98.32
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300000310516	0	32	-2.0	-115.61	320.66	5.97	-109.64
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300000310517	1	32	-2.0	-116.00	315.05	4.94	-111.06
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310518	0	34	-2.0	-116.83	312.98	5.30	-111.53
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000310519	1	35	-2.0	-125.79	323.30	7.05	-118.74
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300000310520	0	31	-2.0	-118.68	300.27	6.69	-111.99
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300000310521	0	25	-2.0	-105.58	294.65	5.39	-100.19
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000310522	0	28	-2.0	-110.63	289.44	3.35	-107.28
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310523	0	41	-2.0	-120.36	361.73	7.68	-112.68
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300000310524	1	33	-2.0	-114.89	322.25	5.97	-108.92
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300000310525	1	39	-2.0	-121.33	358.30	8.15	-113.18
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310526	0	34	-2.0	-127.41	306.05	7.09	-120.32
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])OC=C1	REAL300000310527	0	26	-2.0	-114.37	273.73	3.74	-110.63
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300000310528	1	33	-2.0	-113.18	324.44	3.88	-109.30
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300000310529	0	29	-2.0	-118.48	311.08	4.08	-114.40
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000310530	0	37	-2.0	-121.23	351.50	4.34	-116.89
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])S1	REAL300000310530	1	36	-3.0	-188.89	347.25	3.24	-185.65
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310531	0	30	-2.0	-106.06	297.33	4.68	-101.38
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310532	1	39	-2.0	-121.34	353.25	6.92	-114.42
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000310533	0	38	-2.0	-118.42	346.37	6.09	-112.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C2=NSN=C2C=C1	REAL300000310534	0	32	-2.0	-121.85	307.82	4.65	-117.20
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300000310535	1	34	-2.0	-115.97	332.21	8.07	-107.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(=O)NC(=O)N1	REAL300000310536	1	31	-2.0	-121.34	292.64	1.02	-120.32
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C(Cl)S1	REAL300000310538	0	31	-2.0	-120.21	325.89	6.21	-114.00
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310539	0	41	-2.0	-115.47	356.27	6.50	-108.97
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000310540	0	25	-2.0	-112.72	268.32	3.79	-108.93
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000310541	0	25	-2.0	-110.60	278.39	4.80	-105.80
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310542	0	42	-2.0	-124.82	374.40	5.58	-119.24
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300000310543	0	34	-2.0	-121.58	328.43	8.13	-113.45
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310544	0	36	-2.0	-114.13	321.85	3.04	-111.09
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000310545	1	35	-2.0	-120.08	313.13	7.46	-112.62
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(C)=N1	REAL300000310549	1	34	-2.0	-110.38	312.43	2.73	-107.65
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310550	0	34	-2.0	-122.08	316.99	3.11	-118.97
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310552	0	31	-2.0	-114.94	312.30	2.96	-111.98
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C	REAL300000310553	1	34	-2.0	-112.13	316.89	2.70	-109.43
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=N1	REAL300000310554	0	37	-2.0	-114.90	336.99	5.38	-109.52
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310555	0	37	-2.0	-116.29	333.18	5.03	-111.26
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300000310556	0	27	-2.0	-113.38	296.91	3.28	-110.10
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=CO1	REAL300000310557	0	26	-2.0	-117.04	272.54	3.70	-113.34
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])SC=C1	REAL300000310558	0	26	-2.0	-112.61	281.63	4.63	-107.98
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310560	0	34	-2.0	-112.11	311.30	4.56	-107.55
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C	REAL300000310561	0	36	-2.0	-109.55	336.35	4.66	-104.89
O=C([O-])C1=CC(F)=CC=C1NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000310562	0	38	-2.0	-103.95	342.42	7.67	-96.28
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000310562	1	37	-3.0	-188.44	342.64	7.70	-180.74
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310563	0	31	-2.0	-121.77	311.46	7.09	-114.68
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000310564	0	35	-2.0	-111.55	321.78	5.41	-106.14
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000310565	0	35	-2.0	-119.09	323.30	6.44	-112.65
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=NN1C(C)C	REAL300000310567	0	37	-2.0	-114.75	334.07	5.04	-109.71
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300000310568	1	35	-2.0	-119.28	329.43	7.49	-111.79
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000310569	0	30	-2.0	-113.19	296.92	4.31	-108.88
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(S(=O)(=O)F)=CS1	REAL300000310570	0	28	-2.0	-113.78	308.98	1.42	-112.36
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300000310572	1	35	-2.0	-120.78	331.08	7.53	-113.25
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300000310573	0	32	-2.0	-120.40	320.03	5.76	-114.64
O=C([O-])C1=CC(F)=CC=C1NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000310574	0	38	-2.0	-96.10	341.87	7.68	-88.42
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000310574	1	37	-3.0	-197.25	342.13	7.71	-189.54
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000310575	1	29	-2.0	-118.92	280.59	2.44	-116.48
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000310576	0	31	-2.0	-126.21	309.25	6.29	-119.92
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000310577	0	24	-2.0	-107.10	255.23	2.90	-104.20
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000310578	0	32	-2.0	-130.57	317.47	4.55	-126.02
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300000310579	1	35	-2.0	-126.18	325.41	7.59	-118.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000310580	0	31	-2.0	-116.31	316.63	6.90	-109.41
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300000310581	0	32	-2.0	-112.33	321.05	5.15	-107.18
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300000310582	0	35	-2.0	-118.57	337.48	6.35	-112.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C(C(F)F)=C1	REAL300000310583	1	35	-2.0	-118.33	320.59	5.78	-112.55
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C1C(=O)OC	REAL300000310584	1	41	-2.0	-115.83	373.51	6.91	-108.92
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3C(=O)[O-])C=C2C1	REAL300000310585	1	41	-2.0	-120.84	368.87	7.81	-113.03
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)[O-]	REAL300000310586	0	34	-2.0	-113.36	334.67	3.46	-109.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C2=NC=CC=C12	REAL300000310587	0	36	-2.0	-135.73	327.28	6.45	-129.28
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000310588	0	33	-3.0	-178.63	316.39	5.74	-172.89
CCC1=C(S(=O)(=O)NC2=CC=C(F)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000310588	1	34	-2.0	-92.44	316.55	5.38	-87.06
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310589	0	41	-2.0	-127.87	359.03	7.29	-120.58
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])C=C(Cl)S1	REAL300000310590	0	28	-2.0	-108.31	296.13	5.68	-102.63
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000310591	0	24	-2.0	-111.85	256.16	2.41	-109.44
O=C([O-])C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000310592	0	35	-2.0	-116.64	315.31	4.60	-112.04
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)[O-])=C1	REAL300000310593	0	31	-2.0	-123.33	296.49	6.02	-117.31
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310594	1	40	-2.0	-125.88	342.01	7.50	-118.38
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310595	1	37	-2.0	-130.97	333.35	6.90	-124.07
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000310598	0	31	-2.0	-139.16	287.06	6.53	-132.63
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000310599	0	34	-2.0	-106.93	315.08	5.79	-101.14
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000310600	0	30	-2.0	-122.16	290.41	4.89	-117.27
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000310601	1	32	-2.0	-123.64	299.39	6.63	-117.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000310602	1	32	-2.0	-121.03	299.69	6.64	-114.39
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000310603	0	31	-2.0	-127.68	297.87	6.73	-120.95
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1Br	REAL300000310604	1	34	-2.0	-125.14	318.55	7.42	-117.72
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1Br	REAL300000310606	0	31	-2.0	-124.89	286.45	6.76	-118.13
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1NC(C)=O	REAL300000310607	1	42	-2.0	-142.20	362.24	4.57	-137.63
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300000310608	1	35	-2.0	-123.11	324.86	6.03	-117.08
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000310609	0	41	-2.0	-104.28	367.80	5.58	-98.70
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000310609	1	40	-3.0	-184.80	363.81	5.39	-179.41
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000310610	0	34	-2.0	-110.78	314.61	6.66	-104.12
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000310610	1	33	-3.0	-216.99	311.55	6.83	-210.16
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000310612	1	40	-2.0	-127.72	341.38	6.19	-121.53
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000310613	1	36	-2.0	-123.54	325.41	7.55	-115.99
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310614	0	41	-3.0	-192.15	364.01	8.36	-183.79
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=CC=C1C(=O)[O-]	REAL300000310614	1	42	-2.0	-103.58	363.12	8.20	-95.38
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)S1	REAL300000310615	0	28	-2.0	-122.90	292.51	5.97	-116.93
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1Cl	REAL300000310616	0	37	-2.0	-124.01	335.23	8.59	-115.42
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300000310618	1	47	-2.0	-131.78	380.74	10.04	-121.74
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000310619	1	34	-2.0	-122.54	317.59	7.26	-115.28
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000310620	1	41	-2.0	-134.85	341.27	8.74	-126.11
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000310621	0	34	-2.0	-111.47	310.05	6.64	-104.83
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000310621	1	33	-3.0	-192.88	307.32	6.81	-186.07
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310622	0	39	-2.0	-133.53	333.67	5.77	-127.76
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1OC	REAL300000310623	1	39	-2.0	-128.89	337.28	5.45	-123.44
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000310624	1	38	-2.0	-136.39	324.07	8.15	-128.24
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300000310625	0	33	-2.0	-115.87	293.05	5.16	-110.71
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000310626	1	31	-2.0	-119.34	310.47	7.22	-112.12
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000310627	0	34	-2.0	-112.79	310.96	7.01	-105.78
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000310627	1	33	-3.0	-199.77	307.02	6.80	-192.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000310628	1	31	-2.0	-117.03	291.26	6.36	-110.67
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000310629	0	31	-2.0	-121.11	301.94	7.15	-113.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000310630	1	34	-2.0	-124.32	317.29	7.25	-117.07
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310631	1	34	-2.0	-133.23	299.97	6.91	-126.32
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000310633	0	34	-2.0	-134.80	301.01	7.47	-127.33
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300000310634	1	34	-2.0	-117.59	330.45	7.66	-109.93
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000310635	1	31	-2.0	-125.77	295.28	6.76	-119.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300000310636	0	34	-2.0	-119.50	324.28	7.65	-111.85
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310637	1	36	-2.0	-126.32	321.63	6.73	-119.59
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310638	1	37	-2.0	-128.04	308.73	7.50	-120.54
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C	REAL300000310639	1	37	-2.0	-135.34	316.98	7.45	-127.89
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000310640	1	31	-2.0	-117.99	301.14	6.81	-111.18
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310641	1	36	-2.0	-138.26	321.33	6.72	-131.54
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310643	1	40	-2.0	-123.74	355.51	7.84	-115.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000310644	0	31	-2.0	-125.86	300.46	7.09	-118.77
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000310645	1	37	-2.0	-134.56	334.07	6.99	-127.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300000310646	1	43	-2.0	-132.33	355.08	8.56	-123.77
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300000310647	1	40	-2.0	-132.00	339.11	8.17	-123.83
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310648	1	43	-2.0	-132.00	357.55	8.83	-123.17
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300000310649	1	42	-2.0	-131.57	374.38	4.24	-127.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310650	0	37	-3.0	-200.36	332.53	7.06	-193.30
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=CC=C1C(=O)[O-]	REAL300000310650	1	38	-2.0	-108.56	331.63	6.90	-101.66
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000310651	0	38	-2.0	-109.56	342.80	8.29	-101.27
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000310651	1	37	-3.0	-191.53	338.80	8.10	-183.43
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000310652	0	28	-2.0	-122.61	287.88	5.87	-116.74
CCCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310653	1	40	-2.0	-131.42	343.27	8.46	-122.96
COC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310654	0	35	-2.0	-133.58	304.20	6.49	-127.09
CC1=CC=C(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000310655	0	37	-2.0	-122.16	327.69	7.53	-114.63
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000310655	1	36	-3.0	-203.24	326.39	7.45	-195.79
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310656	0	42	-2.0	-135.39	360.33	5.36	-130.03
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000310657	0	31	-2.0	-127.72	293.75	6.34	-121.38
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000310658	1	31	-2.0	-121.82	312.02	7.28	-114.54
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000310659	0	31	-2.0	-128.08	285.28	6.63	-121.45
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1	REAL300000310660	1	31	-2.0	-125.81	299.85	6.87	-118.94
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000310661	0	33	-2.0	-121.95	306.78	6.91	-115.04
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310662	1	36	-2.0	-116.77	315.61	7.50	-109.27
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300000310663	1	33	-2.0	-126.68	319.23	7.29	-119.39
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000310665	0	33	-2.0	-142.61	300.03	7.71	-134.90
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310666	1	34	-2.0	-133.00	300.27	6.93	-126.07
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000310668	0	31	-2.0	-126.68	287.54	6.28	-120.40
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000310669	1	31	-2.0	-125.35	284.96	6.31	-119.04
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000310670	0	31	-2.0	-121.30	291.38	6.39	-114.91
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000310672	1	37	-2.0	-130.88	323.04	5.40	-125.48
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310674	1	46	-2.0	-128.97	363.60	9.15	-119.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000310675	1	31	-2.0	-123.58	295.61	6.76	-116.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1	REAL300000310676	1	31	-2.0	-123.72	300.17	6.86	-116.86
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000310677	0	33	-2.0	-116.88	307.10	6.91	-109.97
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310678	1	38	-2.0	-133.42	335.33	5.13	-128.29
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000310679	0	31	-2.0	-130.07	292.71	6.05	-124.02
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300000310680	1	47	-2.0	-131.97	394.38	7.16	-124.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])=C1C	REAL300000310681	0	40	-2.0	-124.28	327.62	7.21	-117.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1C	REAL300000310681	1	39	-3.0	-195.86	332.64	7.94	-187.92
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310682	0	35	-2.0	-125.96	320.92	7.00	-118.96
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310683	1	34	-2.0	-121.01	308.61	7.46	-113.55
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000310684	0	33	-3.0	-197.33	309.54	6.77	-190.56
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300000310685	0	28	-2.0	-116.36	296.70	6.27	-110.09
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300000310686	1	46	-2.0	-131.14	382.33	9.74	-121.40
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300000310687	1	36	-2.0	-128.10	310.06	7.32	-120.78
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000310688	0	31	-2.0	-127.84	287.54	6.28	-121.56
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000310689	0	40	-2.0	-103.42	353.64	8.22	-95.20
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000310689	1	39	-3.0	-189.21	350.91	8.39	-180.82
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310690	1	41	-2.0	-133.09	355.91	5.94	-127.15
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000310691	1	35	-2.0	-122.25	314.27	3.06	-119.19
CSC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310693	1	35	-2.0	-128.39	319.07	7.26	-121.13
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000310694	1	36	-2.0	-125.34	321.09	4.69	-120.65
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000310695	1	39	-2.0	-127.65	338.37	5.43	-122.22
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1OCC	REAL300000310696	1	45	-2.0	-129.26	380.99	7.29	-121.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000310698	0	30	-3.0	-194.30	300.54	5.83	-188.47
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000310699	1	34	-2.0	-127.89	310.80	3.74	-124.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=CC=C1C(=O)[O-]	REAL300000310700	0	37	-2.0	-121.86	310.75	6.70	-115.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310700	1	36	-3.0	-193.49	315.75	7.41	-186.08
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300000310701	0	37	-2.0	-124.23	316.14	5.32	-118.91
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310702	1	39	-2.0	-141.19	355.47	2.42	-138.77
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1C	REAL300000310703	1	39	-2.0	-117.35	332.56	8.04	-109.31
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2CC1C	REAL300000310704	1	45	-2.0	-137.26	372.94	7.81	-129.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310705	1	37	-2.0	-123.98	333.65	6.91	-117.07
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310706	1	38	-2.0	-126.65	335.31	4.53	-122.12
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300000310707	1	36	-2.0	-131.46	333.06	1.20	-130.26
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300000310708	1	35	-2.0	-126.55	333.83	6.37	-120.18
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300000310709	1	42	-2.0	-142.75	356.76	7.37	-135.38
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])=CC=C21	REAL300000310710	1	45	-2.0	-143.64	370.61	7.72	-135.92
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000310711	1	35	-2.0	-126.32	313.38	3.03	-123.29
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])=CC=C21	REAL300000310712	1	42	-2.0	-145.42	357.81	7.30	-138.12
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310713	1	37	-2.0	-131.77	321.77	7.68	-124.09
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000310714	1	37	-2.0	-136.39	324.50	8.53	-127.86
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=CS1	REAL300000310715	0	34	-2.0	-136.43	310.66	6.60	-129.83
COCCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310716	1	41	-2.0	-130.27	355.44	6.75	-123.52
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000310717	0	38	-2.0	-106.83	342.42	7.28	-99.55
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300000310719	1	42	-2.0	-135.68	362.77	10.36	-125.32
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300000310720	1	43	-2.0	-131.91	360.03	8.92	-122.99
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000310721	1	31	-2.0	-122.41	285.28	6.30	-116.11
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000310722	0	31	-2.0	-136.21	281.17	6.21	-130.00
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)C2	REAL300000310724	0	36	-2.0	-122.36	327.26	5.07	-117.29
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000310725	1	36	-2.0	-125.98	318.38	6.62	-119.36
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])=C2N=C1	REAL300000310726	0	39	-2.0	-146.73	337.21	7.78	-138.95
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(Cl)=C1	REAL300000310728	0	34	-2.0	-128.33	306.63	7.30	-121.03
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300000310729	0	35	-2.0	-130.47	320.86	6.95	-123.52
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300000310730	1	37	-2.0	-124.36	329.29	3.47	-120.89
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300000310731	1	36	-2.0	-133.30	332.74	1.20	-132.10
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300000310732	1	39	-2.0	-126.59	341.86	6.70	-119.89
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000310733	0	37	-2.0	-139.12	323.29	7.31	-131.81
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300000310734	1	38	-2.0	-127.95	344.40	5.51	-122.44
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000310735	1	36	-2.0	-121.41	326.24	7.75	-113.66
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300000310736	1	37	-2.0	-131.18	332.67	6.20	-124.98
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300000310737	1	35	-2.0	-123.02	324.55	6.04	-116.98
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300000310738	1	37	-2.0	-137.21	339.58	3.76	-133.45
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310740	1	39	-2.0	-131.38	355.49	2.41	-128.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000310741	0	31	-2.0	-119.21	291.60	6.70	-112.51
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300000310742	0	43	-2.0	-144.92	364.49	5.58	-139.34
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(F)=C1	REAL300000310743	0	38	-2.0	-147.18	337.30	5.10	-142.08
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300000310744	1	37	-2.0	-144.55	339.56	3.77	-140.78
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300000310745	1	40	-2.0	-132.19	352.76	8.94	-123.25
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300000310746	1	42	-2.0	-141.45	374.36	4.25	-137.20
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1OC	REAL300000310748	0	39	-2.0	-130.20	342.92	5.51	-124.69
COC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1OC	REAL300000310749	1	42	-2.0	-124.39	346.75	6.05	-118.34
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000310750	0	34	-3.0	-216.13	314.16	6.15	-209.98
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000310750	1	35	-2.0	-109.84	317.98	6.35	-103.49
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000310751	0	31	-2.0	-138.36	296.82	5.74	-132.62
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(Br)=C1	REAL300000310752	0	34	-2.0	-125.22	307.78	7.42	-117.80
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000310753	0	36	-2.0	-127.32	320.47	2.43	-124.89
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=CC=C1C(=O)[O-]	REAL300000310754	0	38	-2.0	-121.25	319.35	4.73	-116.52
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310755	0	37	-2.0	-125.63	339.89	7.29	-118.34
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300000310757	1	35	-2.0	-124.82	324.08	6.10	-118.72
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300000310758	1	35	-2.0	-123.85	314.27	5.62	-118.23
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(N)=O	REAL300000310761	1	38	-2.0	-123.76	329.57	3.70	-120.06
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(N)=O	REAL300000310762	1	39	-2.0	-126.40	340.37	3.63	-122.77
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300000310763	1	47	-2.0	-133.70	381.81	9.37	-124.33
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310764	0	36	-2.0	-113.09	315.62	7.50	-105.59
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN1C	REAL300000310765	0	39	-2.0	-128.26	342.35	3.91	-124.35
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310766	1	34	-2.0	-120.95	304.04	7.35	-113.60
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=N2)C=C1	REAL300000310768	0	41	-2.0	-127.69	360.51	8.04	-119.65
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300000310770	1	42	-2.0	-129.15	354.03	6.38	-122.77
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C3=C2C1=CC=C3	REAL300000310772	1	39	-2.0	-126.18	336.41	5.95	-120.23
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310773	0	33	-3.0	-193.57	316.28	6.50	-187.07
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000310774	1	32	-2.0	-116.05	314.76	7.06	-108.99
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000310775	1	32	-2.0	-115.98	314.78	7.05	-108.93
CC1=CC(C)=C(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000310776	0	40	-2.0	-105.68	332.27	7.73	-97.95
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000310777	1	35	-2.0	-130.30	316.92	6.61	-123.69
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C2=CC=CN=C12	REAL300000310778	1	40	-2.0	-128.77	337.48	5.86	-122.91
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300000310779	1	34	-2.0	-130.83	314.02	7.35	-123.48
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000310780	0	31	-2.0	-133.72	297.37	6.72	-127.00
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310782	0	37	-2.0	-119.39	332.41	7.15	-112.24
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300000310783	1	41	-2.0	-134.17	341.58	7.75	-126.42
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300000310784	1	34	-2.0	-131.75	305.28	6.95	-124.80
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310785	1	34	-2.0	-119.61	304.12	7.34	-112.27
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300000310786	0	31	-2.0	-118.00	318.84	8.06	-109.94
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310787	0	34	-2.0	-136.50	302.56	6.88	-129.62
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310788	1	34	-2.0	-120.53	293.71	6.90	-113.63
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300000310789	0	36	-2.0	-141.37	311.99	8.65	-132.72
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300000310790	0	39	-2.0	-128.41	344.02	5.49	-122.92
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300000310791	1	41	-2.0	-139.44	350.76	6.11	-133.33
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000310795	0	30	-3.0	-212.76	298.67	5.84	-206.92
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000310795	1	31	-2.0	-118.81	302.99	6.04	-112.77
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1Cl	REAL300000310796	0	34	-2.0	-127.52	321.04	8.15	-119.37
COC1=CC(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000310797	0	42	-2.0	-115.66	368.39	6.44	-109.22
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000310797	1	41	-3.0	-222.14	365.32	6.61	-215.53
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310798	1	40	-2.0	-132.45	348.10	4.35	-128.10
COC1=CC=C(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000310799	0	38	-2.0	-116.69	338.65	7.05	-109.64
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300000310801	0	28	-2.0	-124.88	291.20	5.80	-119.08
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1O	REAL300000310802	1	38	-2.0	-125.38	342.16	4.94	-120.44
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310803	1	44	-2.0	-139.18	382.28	6.04	-133.14
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000310804	0	33	-2.0	-132.94	300.21	8.08	-124.86
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310805	0	45	-2.0	-133.74	386.40	5.49	-128.25
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000310806	0	44	-2.0	-114.61	355.52	8.28	-106.33
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000310806	1	43	-3.0	-221.19	363.42	9.28	-211.91
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000310807	0	43	-2.0	-127.42	355.36	8.55	-118.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000310807	1	42	-3.0	-193.30	350.76	8.53	-184.77
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300000310808	1	41	-2.0	-133.02	353.06	9.66	-123.36
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310809	1	42	-2.0	-136.82	369.31	5.91	-130.91
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300000310812	1	42	-2.0	-149.39	366.61	6.22	-143.17
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310813	0	35	-2.0	-129.37	305.54	5.22	-124.15
CC1=CC=C([O-])C(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310813	1	35	-2.0	-113.39	302.23	5.28	-108.11
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=CC=C1C(=O)[O-]	REAL300000310814	0	40	-2.0	-109.39	330.16	7.41	-101.98
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310814	1	39	-3.0	-193.80	339.18	8.44	-185.36
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000310815	0	34	-2.0	-130.34	318.22	7.17	-123.17
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300000310816	1	44	-2.0	-144.33	378.37	10.08	-134.25
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310817	0	40	-3.0	-205.41	354.83	7.82	-197.59
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=CC=C1C(=O)[O-]	REAL300000310817	1	41	-2.0	-105.38	353.97	7.68	-97.70
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000310818	0	36	-3.0	-200.35	338.48	7.19	-193.16
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000310818	1	35	-4.0	-304.90	335.43	7.38	-297.52
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000310819	0	34	-2.0	-121.92	326.77	6.01	-115.91
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000310820	0	41	-2.0	-127.72	343.62	7.98	-119.74
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000310820	1	40	-3.0	-201.13	346.84	8.57	-192.56
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300000310821	1	37	-2.0	-134.45	343.65	3.79	-130.66
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C	REAL300000310822	0	39	-2.0	-143.92	337.72	8.96	-134.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000310823	1	35	-2.0	-119.11	316.87	6.61	-112.50
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000310824	0	31	-2.0	-126.53	293.43	6.59	-119.94
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000310825	0	41	-2.0	-137.13	375.01	5.17	-131.96
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000310826	0	41	-2.0	-125.87	372.10	5.22	-120.65
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C=C(C(=O)[O-])O1	REAL300000310827	0	33	-3.0	-187.60	306.43	5.87	-181.73
CC1=C(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C)C=C(C(=O)[O-])O1	REAL300000310827	1	34	-2.0	-119.47	301.15	5.12	-114.35
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000310828	0	34	-2.0	-157.49	307.00	5.45	-152.04
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310829	0	37	-2.0	-132.41	335.87	6.86	-125.55
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310830	0	41	-2.0	-134.93	344.15	7.85	-127.08
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000310831	1	34	-2.0	-116.46	322.87	7.30	-109.16
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310832	1	47	-2.0	-127.75	390.21	7.96	-119.79
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300000310834	0	33	-2.0	-138.39	306.87	8.40	-129.99
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000310835	1	36	-2.0	-135.38	326.83	6.42	-128.96
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300000310836	1	44	-2.0	-136.70	367.25	8.70	-128.00
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000310837	0	40	-2.0	-130.18	352.24	6.42	-123.76
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000310837	1	39	-3.0	-208.26	349.16	6.57	-201.69
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300000310838	1	35	-2.0	-125.34	335.26	7.70	-117.64
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(Br)=C1	REAL300000310839	0	30	-2.0	-121.29	294.88	5.06	-116.23
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1F	REAL300000310842	0	37	-2.0	-138.09	341.84	3.74	-134.35
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000310843	0	33	-2.0	-146.85	301.52	7.90	-138.95
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310844	0	37	-3.0	-218.57	331.82	6.30	-212.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310844	1	38	-2.0	-115.28	326.87	6.01	-109.27
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000310845	0	42	-2.0	-100.42	363.00	7.24	-93.18
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000310846	0	38	-2.0	-130.78	339.10	7.36	-123.42
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300000310847	0	41	-2.0	-125.54	364.51	7.81	-117.73
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000310849	0	30	-2.0	-120.43	279.96	4.54	-115.89
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000310850	0	38	-2.0	-105.50	357.17	7.46	-98.04
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000310850	1	37	-3.0	-184.86	354.12	7.63	-177.23
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300000310851	0	31	-2.0	-128.24	302.43	6.84	-121.40
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(F)(F)F	REAL300000310852	1	37	-2.0	-130.89	332.98	7.77	-123.12
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300000310853	1	41	-2.0	-124.12	359.30	7.15	-116.97
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310854	0	34	-2.0	-124.26	326.94	5.91	-118.35
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310855	1	39	-2.0	-119.72	338.94	8.56	-111.16
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300000310856	1	36	-2.0	-128.23	308.34	6.50	-121.73
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300000310857	0	37	-2.0	-132.46	352.29	6.95	-125.51
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000310858	0	30	-2.0	-119.42	297.31	5.21	-114.21
CC1=CC(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300000310859	0	41	-2.0	-107.12	362.51	7.97	-99.15
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C)C=C12	REAL300000310861	1	39	-2.0	-123.82	344.87	5.97	-117.85
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C)C=C12	REAL300000310862	0	35	-2.0	-116.05	318.31	3.22	-112.83
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300000310863	1	40	-2.0	-132.64	360.42	9.08	-123.56
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000310864	0	31	-2.0	-136.34	287.48	6.28	-130.06
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(F)=C1	REAL300000310865	0	35	-2.0	-133.87	316.51	5.82	-128.05
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300000310866	0	33	-2.0	-133.39	310.54	8.52	-124.87
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000310867	0	37	-2.0	-104.35	322.78	7.19	-97.16
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000310867	1	36	-3.0	-185.78	321.03	7.44	-178.34
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000310868	0	37	-2.0	-135.75	321.84	5.85	-129.90
CC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)=CN1C	REAL300000310869	0	34	-2.0	-137.14	302.09	5.16	-131.98
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000310870	0	38	-2.0	-107.65	347.37	6.98	-100.67
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000310870	1	37	-3.0	-184.70	344.31	7.15	-177.55
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000310871	0	35	-2.0	-126.27	313.98	6.75	-119.52
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310872	1	40	-2.0	-130.38	355.21	7.82	-122.56
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300000310873	0	34	-2.0	-123.19	305.13	4.79	-118.40
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310874	1	43	-2.0	-123.45	377.01	8.63	-114.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300000310875	0	39	-2.0	-124.06	347.91	3.71	-120.35
COCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310876	1	38	-2.0	-133.19	333.62	5.96	-127.23
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300000310877	0	39	-2.0	-140.42	344.49	6.88	-133.54
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300000310878	0	34	-2.0	-126.41	320.19	7.22	-119.19
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300000310879	0	31	-2.0	-130.17	310.95	6.36	-123.81
CCOC1=CC=C(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000310880	0	41	-2.0	-131.99	359.20	7.61	-124.38
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000310881	1	36	-2.0	-129.89	314.53	5.54	-124.35
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1F	REAL300000310882	1	40	-2.0	-119.18	360.26	7.84	-111.34
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000310883	0	31	-2.0	-120.67	291.61	6.70	-113.97
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2)=CO1	REAL300000310884	1	40	-2.0	-131.89	355.27	5.31	-126.58
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000310886	1	35	-2.0	-120.10	322.85	3.09	-117.01
COC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310887	1	35	-2.0	-132.22	308.06	5.54	-126.68
CC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310888	1	34	-2.0	-127.18	287.32	6.83	-120.35
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000310889	0	37	-2.0	-128.49	341.60	4.29	-124.20
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000310889	1	36	-3.0	-206.13	338.59	3.15	-202.98
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(F)C=C1F	REAL300000310891	0	37	-2.0	-122.32	341.40	6.94	-115.38
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(F)=C1	REAL300000310892	0	34	-2.0	-136.38	302.56	6.89	-129.49
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300000310893	0	35	-2.0	-119.77	330.75	6.49	-113.28
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1F	REAL300000310894	1	34	-2.0	-123.24	305.77	6.93	-116.31
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])O1	REAL300000310895	0	34	-2.0	-127.91	318.10	5.05	-122.86
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000310896	0	36	-2.0	-145.50	315.81	7.14	-138.36
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310897	1	43	-2.0	-126.54	359.07	4.94	-121.60
CC1=C(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C)C=C(C(=O)[O-])S1	REAL300000310898	0	34	-2.0	-107.31	312.73	6.37	-100.94
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C=C(C(=O)[O-])S1	REAL300000310898	1	33	-3.0	-190.22	310.46	6.57	-183.65
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1C	REAL300000310899	1	40	-2.0	-134.89	336.51	7.36	-127.53
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310900	0	35	-2.0	-127.27	314.67	5.93	-121.34
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN=C1Cl	REAL300000310901	0	33	-2.0	-119.86	309.21	5.47	-114.39
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310903	1	40	-2.0	-136.27	355.83	7.68	-128.59
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)N(C)C	REAL300000310905	1	45	-2.0	-127.52	382.70	5.57	-121.95
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C21	REAL300000310906	1	42	-2.0	-151.06	357.73	7.30	-143.76
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300000310907	0	43	-2.0	-126.42	356.12	6.81	-119.61
CC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])SC=C1	REAL300000310908	0	31	-2.0	-129.99	289.63	5.88	-124.11
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310909	1	37	-2.0	-131.39	350.07	7.41	-123.98
CCN1N=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1C	REAL300000310910	0	40	-2.0	-130.86	335.35	6.09	-124.77
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C	REAL300000310911	1	40	-2.0	-126.05	349.79	7.43	-118.62
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000310912	0	36	-2.0	-118.90	323.12	7.43	-111.47
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000310913	1	39	-2.0	-152.74	338.14	4.70	-148.04
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300000310914	1	40	-2.0	-144.95	363.91	4.44	-140.51
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310915	1	35	-2.0	-118.83	308.05	7.23	-111.60
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1F	REAL300000310916	1	38	-2.0	-135.04	339.33	5.26	-129.78
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000310917	0	36	-2.0	-128.39	330.32	7.59	-120.80
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300000310918	1	39	-2.0	-126.22	352.33	7.36	-118.86
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1C	REAL300000310919	1	41	-2.0	-158.93	351.96	5.99	-152.94
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C21	REAL300000310920	1	45	-2.0	-154.56	370.75	7.77	-146.79
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310921	0	35	-2.0	-127.77	316.38	6.71	-121.06
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310922	1	35	-2.0	-120.51	313.00	7.30	-113.21
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300000310923	1	40	-2.0	-133.07	347.55	6.31	-126.76
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1OC	REAL300000310924	1	41	-2.0	-126.58	360.64	6.96	-119.62
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000310925	0	32	-2.0	-125.43	301.88	6.61	-118.82
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2O1	REAL300000310926	1	36	-2.0	-131.26	322.21	3.91	-127.35
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000310927	0	37	-2.0	-124.70	323.31	5.33	-119.37
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000310928	1	36	-2.0	-134.83	319.53	6.63	-128.20
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300000310929	0	37	-2.0	-129.38	337.89	5.01	-124.37
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000310930	0	37	-2.0	-138.10	323.01	4.68	-133.42
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1[N+](=O)[O-]	REAL300000310931	0	34	-2.0	-131.33	314.52	8.39	-122.94
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C=NN1C1=CC=CC=N1	REAL300000310932	0	40	-2.0	-130.69	347.00	7.54	-123.15
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000310934	1	31	-2.0	-113.19	297.72	6.43	-106.76
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300000310935	1	42	-2.0	-125.20	361.33	8.08	-117.12
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN1C	REAL300000310937	0	38	-2.0	-128.91	339.72	6.36	-122.55
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310938	1	46	-2.0	-132.45	369.31	9.03	-123.42
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000310939	0	33	-3.0	-186.46	313.52	7.19	-179.27
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000310939	1	34	-2.0	-103.58	312.79	6.90	-96.68
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000310940	0	34	-2.0	-107.20	315.89	7.02	-100.18
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000310940	1	33	-3.0	-189.23	311.54	6.85	-182.38
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300000310941	1	39	-2.0	-134.72	344.40	5.67	-129.05
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300000310942	0	38	-2.0	-135.82	343.51	7.52	-128.30
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000310943	0	31	-2.0	-126.50	312.90	6.61	-119.89
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300000310944	1	31	-2.0	-118.50	305.56	6.91	-111.59
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000310945	1	41	-2.0	-138.23	357.30	6.91	-131.32
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC(C)=C1F	REAL300000310946	1	37	-2.0	-124.77	325.75	7.58	-117.19
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300000310947	1	31	-2.0	-118.25	305.56	6.91	-111.34
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000310948	0	35	-2.0	-123.96	334.11	6.56	-117.40
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300000310949	0	42	-2.0	-137.14	366.30	7.01	-130.13
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300000310950	0	34	-2.0	-115.49	316.90	4.13	-111.36
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000310951	0	30	-3.0	-197.94	299.63	5.94	-192.00
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000310952	0	40	-2.0	-143.47	343.43	7.50	-135.97
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000310953	0	34	-2.0	-104.38	317.78	7.05	-97.33
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000310953	1	33	-3.0	-208.78	313.93	6.86	-201.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1F	REAL300000310954	0	36	-3.0	-200.27	330.85	7.46	-192.81
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000310955	1	45	-2.0	-124.95	371.62	8.30	-116.65
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300000310956	0	37	-3.0	-191.44	340.82	7.26	-184.18
COC1=CC(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300000310956	1	38	-2.0	-113.68	339.00	6.64	-107.04
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN1	REAL300000310957	0	35	-2.0	-125.42	321.96	4.60	-120.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000310958	0	33	-3.0	-194.70	309.51	6.78	-187.92
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000310958	1	34	-2.0	-105.59	307.48	6.55	-99.04
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000310959	0	34	-2.0	-104.39	323.86	7.39	-97.00
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000310959	1	33	-3.0	-188.83	319.50	7.22	-181.61
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000310960	1	34	-2.0	-124.86	296.41	6.96	-117.90
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Br	REAL300000310961	1	34	-2.0	-130.87	318.06	7.44	-123.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1C	REAL300000310962	1	40	-2.0	-131.09	349.80	7.42	-123.67
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CS1	REAL300000310963	0	34	-2.0	-124.67	325.81	5.92	-118.75
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1F	REAL300000310964	1	37	-2.0	-119.96	337.89	6.92	-113.04
CC1=NC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000310965	0	33	-2.0	-122.83	305.50	4.62	-118.21
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000310966	1	35	-2.0	-134.85	321.13	7.41	-127.44
CC(=O)NC1=CC(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])=CC=C1[O-]	REAL300000310967	1	39	-2.0	-118.60	343.92	2.98	-115.62
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000310968	0	37	-2.0	-104.51	331.55	7.59	-96.92
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000310968	1	36	-3.0	-206.91	334.66	7.90	-199.01
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310969	1	37	-2.0	-119.47	326.39	7.84	-111.63
CC1=C(Br)SC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310970	0	31	-2.0	-125.13	312.07	6.58	-118.55
CCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310971	1	37	-2.0	-133.24	321.45	7.67	-125.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300000310972	0	34	-2.0	-127.79	334.55	8.18	-119.61
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310973	1	34	-2.0	-131.12	306.38	6.98	-124.14
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000310974	0	42	-2.0	-107.23	375.08	8.40	-98.83
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000310974	1	41	-3.0	-186.36	371.08	8.22	-178.14
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310975	0	37	-2.0	-125.59	336.76	5.70	-119.89
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000310976	1	37	-2.0	-126.21	329.94	5.31	-120.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000310977	0	35	-3.0	-199.82	335.21	7.47	-192.35
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000310977	1	36	-2.0	-102.47	338.26	7.30	-95.17
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300000310978	0	34	-2.0	-130.86	327.23	7.99	-122.87
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310979	0	41	-2.0	-132.30	358.86	7.16	-125.14
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310980	1	43	-2.0	-127.06	359.75	8.04	-119.02
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(F)C=C1F	REAL300000310982	0	34	-2.0	-127.21	307.89	6.91	-120.30
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300000310983	0	37	-2.0	-135.33	327.10	9.23	-126.10
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000310984	1	37	-2.0	-139.11	317.07	8.43	-130.68
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000310985	0	33	-2.0	-130.17	310.85	5.72	-124.45
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000310986	0	36	-2.0	-118.06	329.71	7.82	-110.24
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000310987	0	38	-2.0	-129.76	356.73	5.33	-124.43
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300000310988	1	34	-2.0	-125.17	309.19	7.45	-117.72
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000310989	0	34	-3.0	-192.95	312.51	5.15	-187.80
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000310989	1	34	-3.0	-201.52	309.20	5.19	-196.33
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000310990	1	41	-2.0	-133.58	328.84	8.68	-124.90
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000310991	0	37	-2.0	-105.43	332.24	7.42	-98.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000310991	1	36	-3.0	-195.82	329.51	7.58	-188.24
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300000310992	1	38	-2.0	-134.70	348.28	5.77	-128.93
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])O1	REAL300000310993	0	37	-2.0	-128.58	339.96	5.98	-122.60
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000310994	0	33	-2.0	-121.76	313.68	6.97	-114.79
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310995	0	36	-2.0	-132.42	325.58	7.03	-125.39
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300000310996	1	43	-2.0	-129.42	369.25	7.77	-121.65
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000310997	1	36	-2.0	-110.35	327.98	7.87	-102.48
COC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])SC=C1	REAL300000310998	0	32	-2.0	-136.40	301.06	4.52	-131.88
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000310999	1	40	-2.0	-137.65	360.72	4.66	-132.99
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)OC2=CC=C(F)C=C12	REAL300000311000	0	37	-2.0	-130.60	334.05	7.45	-123.15
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000311001	0	34	-2.0	-132.81	308.81	6.63	-126.18
CC1=NC2=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=CC=C2C=C1	REAL300000311002	0	39	-2.0	-147.31	340.23	7.50	-139.81
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C2=CC(Cl)=CC=C2S1	REAL300000311003	0	37	-2.0	-133.98	346.40	9.16	-124.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300000311004	1	42	-2.0	-124.12	361.83	5.76	-118.36
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C=C(Br)S1	REAL300000311005	0	31	-2.0	-116.62	303.43	6.65	-109.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300000311006	1	37	-2.0	-127.33	327.64	8.81	-118.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC(F)=C1F	REAL300000311007	1	37	-2.0	-115.78	344.17	6.98	-108.80
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)SC2=CC=CC(F)=C12	REAL300000311008	0	37	-2.0	-134.08	338.85	8.28	-125.80
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300000311009	1	32	-2.0	-120.75	320.68	7.25	-113.50
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1F	REAL300000311010	0	36	-2.0	-125.20	330.69	7.57	-117.63
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311011	0	33	-2.0	-132.76	304.02	5.05	-127.71
CC1=NN2C=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C)C=NC2=C1Cl	REAL300000311012	0	36	-2.0	-119.00	339.55	6.21	-112.79
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300000311013	0	31	-2.0	-127.51	298.00	7.18	-120.33
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300000311014	1	33	-2.0	-122.20	326.80	6.15	-116.05
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000311015	0	31	-2.0	-115.16	294.28	5.15	-110.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000311016	0	31	-2.0	-127.92	298.73	5.10	-122.82
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311017	1	39	-2.0	-136.51	337.54	4.85	-131.66
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000311018	0	34	-2.0	-106.61	330.78	7.16	-99.45
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000311018	1	33	-3.0	-207.23	327.73	7.33	-199.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000311019	0	32	-2.0	-129.58	294.55	5.00	-124.58
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])S2)=CS1	REAL300000311020	0	37	-2.0	-129.89	358.33	6.80	-123.09
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000311021	0	32	-2.0	-113.99	295.51	4.20	-109.79
CC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000311022	0	30	-2.0	-124.47	287.42	4.06	-120.41
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1Cl	REAL300000311023	1	37	-2.0	-120.68	345.87	7.28	-113.40
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311024	1	36	-2.0	-108.88	320.05	7.53	-101.35
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000311025	0	37	-2.0	-122.63	311.89	6.95	-115.68
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000311025	1	36	-3.0	-214.38	310.44	7.26	-207.12
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000311027	1	38	-2.0	-146.35	343.17	4.11	-142.24
CC1=CC(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000311028	0	37	-2.0	-123.27	336.20	7.63	-115.64
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000311028	1	36	-3.0	-196.92	332.34	7.44	-189.48
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=C(C)C=CC=C1C(=O)[O-]	REAL300000311029	0	37	-2.0	-110.25	316.90	7.17	-103.08
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2F)N=C1	REAL300000311030	1	41	-2.0	-126.75	362.15	8.10	-118.65
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(C)N1	REAL300000311031	0	44	-2.0	-124.54	373.02	6.89	-117.65
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300000311032	0	34	-2.0	-129.37	310.93	7.01	-122.36
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000311033	0	37	-2.0	-117.99	334.08	6.99	-111.00
CC1=CC(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000311034	0	40	-2.0	-113.18	344.05	8.05	-105.13
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000311034	1	39	-3.0	-227.57	344.61	8.00	-219.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300000311035	1	37	-2.0	-137.89	333.76	8.93	-128.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300000311036	0	37	-2.0	-127.17	343.65	3.79	-123.38
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000311037	0	35	-3.0	-192.70	333.91	7.85	-184.85
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000311037	1	36	-2.0	-123.86	337.71	8.01	-115.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000311038	0	34	-2.0	-127.50	324.24	7.74	-119.76
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1CC	REAL300000311039	1	43	-2.0	-134.67	355.61	8.81	-125.86
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000311040	0	33	-3.0	-200.09	318.93	6.93	-193.16
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300000311041	1	36	-2.0	-113.61	332.09	7.56	-106.05
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000311042	0	30	-2.0	-124.67	296.36	5.65	-119.02
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000311043	0	37	-2.0	-143.00	324.32	6.63	-136.37
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300000311044	0	36	-2.0	-121.56	329.79	5.06	-116.50
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000311045	0	30	-2.0	-113.35	297.92	5.28	-108.07
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000311046	0	40	-2.0	-132.42	334.75	7.80	-124.62
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300000311047	1	42	-2.0	-127.74	358.63	8.02	-119.72
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000311048	0	36	-3.0	-213.96	332.23	7.51	-206.45
CC1=CC(F)=C(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000311048	1	37	-2.0	-115.20	329.18	7.33	-107.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1Cl	REAL300000311049	0	36	-3.0	-193.51	332.84	7.78	-185.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])=C1Cl	REAL300000311049	1	37	-2.0	-112.30	331.95	7.50	-104.80
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311050	0	36	-3.0	-230.32	329.18	7.40	-222.92
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300000311051	0	31	-2.0	-116.20	305.77	6.73	-109.47
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311052	1	39	-2.0	-138.13	341.64	7.51	-130.62
COCCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300000311053	0	38	-2.0	-121.95	338.29	3.86	-118.09
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000311054	0	36	-2.0	-137.40	320.14	7.12	-130.28
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300000311055	0	31	-2.0	-117.63	292.74	6.82	-110.81
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1Br	REAL300000311056	0	34	-2.0	-126.24	304.57	7.32	-118.92
CCC1=CC=C(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000311057	0	40	-2.0	-125.37	346.51	8.21	-117.16
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000311057	1	39	-3.0	-225.84	341.24	7.99	-217.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000311058	0	42	-2.0	-125.96	356.20	4.78	-121.18
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300000311061	0	34	-2.0	-118.38	323.95	7.63	-110.75
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=CC=C1C(=O)[O-]	REAL300000311062	0	37	-2.0	-112.52	315.66	5.83	-106.69
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000311063	0	40	-2.0	-131.88	351.89	7.89	-123.99
CCCN1C=NC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311064	0	37	-2.0	-138.31	326.54	6.99	-131.32
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000311065	0	39	-2.0	-127.01	336.59	4.00	-123.01
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1F	REAL300000311067	0	34	-2.0	-137.97	301.46	6.87	-131.10
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300000311068	0	37	-2.0	-125.05	327.59	3.87	-121.18
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000311069	0	38	-2.0	-142.96	325.00	6.28	-136.68
COC1=CC=C(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000311070	0	41	-2.0	-135.79	360.54	6.77	-129.02
COCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000311071	1	38	-2.0	-131.16	333.95	5.97	-125.19
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311072	0	36	-2.0	-128.17	313.60	3.85	-124.32
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1Cl	REAL300000311073	0	34	-2.0	-129.44	303.95	7.21	-122.23
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(C)O1	REAL300000311074	0	34	-2.0	-123.33	298.04	5.76	-117.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300000311075	0	37	-2.0	-138.92	318.77	4.05	-134.87
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2)CC1	REAL300000311077	1	44	-2.0	-129.72	377.23	8.86	-120.86
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311078	1	40	-2.0	-130.05	361.61	7.89	-122.16
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311079	1	38	-2.0	-128.56	325.69	6.24	-122.32
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000311080	0	40	-2.0	-116.20	353.55	6.53	-109.67
CC1=C(C)SC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311082	0	34	-2.0	-131.44	311.67	6.63	-124.81
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000311083	1	34	-2.0	-130.00	305.10	4.89	-125.11
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300000311084	0	39	-2.0	-139.76	325.49	7.89	-131.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000311085	0	37	-2.0	-133.49	322.27	8.10	-125.39
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300000311086	1	44	-2.0	-140.78	365.20	7.38	-133.40
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300000311087	0	37	-2.0	-120.67	347.16	4.33	-116.34
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000311088	0	33	-2.0	-112.23	311.29	6.94	-105.29
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000311089	0	37	-2.0	-118.10	328.01	7.56	-110.54
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000311089	1	36	-3.0	-204.44	330.67	7.89	-196.55
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000311090	1	31	-2.0	-120.80	301.70	6.84	-113.96
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(C)O1	REAL300000311091	0	37	-2.0	-116.11	332.83	5.72	-110.39
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000311092	0	30	-2.0	-121.22	290.31	4.96	-116.26
CC1=CC(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300000311093	0	37	-2.0	-121.26	342.58	7.95	-113.31
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300000311093	1	36	-3.0	-197.17	338.73	7.76	-189.41
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])N=C1C	REAL300000311094	0	37	-2.0	-137.46	324.10	6.07	-131.39
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311095	0	34	-2.0	-125.38	307.78	7.42	-117.96
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311096	0	34	-2.0	-128.57	306.63	7.30	-121.27
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000311097	0	37	-3.0	-200.32	335.05	7.03	-193.29
CCN1C=C(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000311097	1	38	-2.0	-120.99	339.28	7.21	-113.78
COC(=O)C1=COC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311098	0	34	-2.0	-128.31	318.77	5.00	-123.31
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311099	0	43	-2.0	-126.78	352.93	6.78	-120.00
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN1C	REAL300000311100	0	41	-2.0	-128.39	361.59	7.29	-121.10
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311101	1	39	-2.0	-126.56	333.84	8.11	-118.45
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000311102	0	31	-2.0	-129.75	294.92	7.03	-122.72
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(Cl)=N1	REAL300000311103	0	33	-2.0	-125.99	307.05	5.51	-120.48
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311104	0	36	-2.0	-123.65	324.96	6.90	-116.75
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300000311105	0	38	-2.0	-125.05	339.83	7.75	-117.30
CSC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300000311106	1	35	-2.0	-125.07	333.76	7.72	-117.35
CCC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000311107	0	33	-2.0	-125.38	308.90	4.83	-120.55
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C12	REAL300000311108	0	38	-2.0	-116.18	339.80	3.96	-112.22
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)S1	REAL300000311109	0	33	-2.0	-119.08	317.02	6.58	-112.50
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN=C1Cl	REAL300000311110	0	34	-2.0	-117.62	319.41	4.22	-113.40
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])=CC=C21	REAL300000311111	1	40	-2.0	-131.17	354.48	7.20	-123.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300000311112	1	43	-2.0	-128.44	362.91	7.68	-120.76
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000311113	0	33	-2.0	-116.16	313.58	5.49	-110.67
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311114	1	37	-2.0	-130.28	339.75	6.96	-123.32
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300000311115	0	46	-2.0	-126.49	368.47	7.17	-119.32
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(C)=C1F	REAL300000311116	1	38	-2.0	-125.40	321.97	6.18	-119.22
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000311117	0	32	-2.0	-118.29	305.91	7.02	-111.27
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000311118	0	34	-2.0	-138.69	304.83	6.84	-131.85
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311119	0	36	-2.0	-124.68	328.51	5.10	-119.58
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000311120	0	28	-2.0	-127.79	282.94	4.98	-122.81
CC1=NC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300000311121	0	40	-2.0	-140.99	363.29	7.68	-133.31
CC1=NC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300000311122	0	40	-2.0	-143.48	354.46	5.24	-138.24
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000311123	1	39	-2.0	-118.44	331.76	8.01	-110.43
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311125	1	43	-2.0	-125.37	363.87	8.42	-116.95
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300000311126	0	31	-2.0	-120.17	307.32	7.18	-112.99
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311127	0	31	-2.0	-124.57	307.85	6.48	-118.09
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(OC)=C1	REAL300000311128	0	41	-2.0	-128.40	358.91	7.16	-121.24
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000311129	1	34	-2.0	-135.03	312.73	7.18	-127.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300000311130	0	34	-2.0	-125.76	319.87	7.22	-118.54
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311131	1	34	-2.0	-129.92	321.26	7.52	-122.40
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000311132	0	34	-2.0	-119.77	316.46	5.14	-114.63
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311133	0	35	-2.0	-129.77	307.55	7.11	-122.66
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)F)=C1	REAL300000311134	1	34	-2.0	-134.70	324.22	3.48	-131.22
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300000311135	0	39	-2.0	-125.39	347.97	7.52	-117.87
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(C)=CS1	REAL300000311136	0	37	-2.0	-134.13	329.27	7.13	-127.00
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1F	REAL300000311137	1	35	-2.0	-122.19	314.28	5.62	-116.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000311138	1	36	-2.0	-123.25	322.91	5.37	-117.88
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000311139	0	30	-2.0	-124.68	299.72	6.01	-118.67
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000311141	1	39	-2.0	-129.96	345.57	4.46	-125.50
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300000311142	1	34	-2.0	-120.01	334.02	7.76	-112.25
COC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000311143	1	37	-2.0	-120.85	342.53	7.06	-113.79
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000311144	0	35	-2.0	-135.29	305.55	5.64	-129.65
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000311145	0	32	-2.0	-119.06	305.95	7.02	-112.04
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000311146	0	34	-2.0	-120.20	323.01	5.29	-114.91
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311147	1	37	-2.0	-125.07	302.84	7.55	-117.52
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311149	1	34	-2.0	-119.74	308.70	7.45	-112.29
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000311150	0	35	-2.0	-146.13	309.79	6.15	-139.98
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300000311151	0	44	-2.0	-130.42	368.88	7.71	-122.71
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300000311152	0	31	-2.0	-127.83	302.43	6.84	-120.99
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C(C)C=CN=C12	REAL300000311153	0	39	-2.0	-146.42	333.78	7.68	-138.74
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000311154	1	35	-2.0	-138.39	329.81	3.53	-134.86
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000311155	0	32	-2.0	-133.25	303.48	4.56	-128.69
COC1=CN=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311156	0	34	-2.0	-127.68	303.13	3.72	-123.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300000311157	0	31	-2.0	-133.05	301.78	6.82	-126.23
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1OC	REAL300000311158	0	41	-2.0	-125.52	360.63	6.97	-118.55
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311160	0	41	-2.0	-137.01	364.89	4.00	-133.01
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-])OCO2	REAL300000311161	1	37	-2.0	-120.65	313.29	5.50	-115.15
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311162	0	37	-2.0	-132.11	330.82	7.27	-124.84
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000311163	0	37	-2.0	-108.40	344.07	7.71	-100.69
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000311163	1	36	-3.0	-214.62	340.99	7.88	-206.74
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300000311164	1	41	-2.0	-134.26	351.10	6.04	-128.22
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300000311165	0	37	-2.0	-140.67	338.22	7.73	-132.94
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000311166	0	34	-2.0	-136.78	323.37	3.74	-133.04
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000311166	1	33	-3.0	-203.01	320.54	2.60	-200.41
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300000311167	1	38	-2.0	-133.44	339.32	5.26	-128.18
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1OC	REAL300000311168	0	39	-2.0	-126.97	348.83	5.96	-121.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300000311169	1	35	-2.0	-125.22	324.03	5.89	-119.33
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000311170	1	34	-2.0	-121.53	322.88	7.30	-114.23
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300000311171	0	36	-2.0	-131.79	335.63	1.87	-129.92
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000311172	1	35	-2.0	-126.12	303.99	7.03	-119.09
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C	REAL300000311173	1	42	-2.0	-134.85	370.78	3.23	-131.62
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000311174	1	35	-2.0	-135.54	320.80	7.41	-128.13
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000311175	0	31	-2.0	-120.23	301.94	7.14	-113.09
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C(N)=NO1	REAL300000311177	0	32	-2.0	-115.25	286.30	3.61	-111.64
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-])OCC(=O)N2	REAL300000311178	0	41	-2.0	-127.38	354.88	3.74	-123.64
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311179	0	35	-2.0	-127.40	320.92	7.00	-120.40
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000311180	0	32	-2.0	-127.75	306.06	5.02	-122.73
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311181	1	38	-2.0	-127.21	316.79	6.13	-121.08
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300000311182	1	32	-2.0	-116.16	319.05	7.15	-109.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300000311184	0	33	-2.0	-120.46	328.61	7.48	-112.98
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000311185	0	29	-2.0	-117.52	291.22	5.80	-111.72
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300000311186	0	33	-2.0	-115.40	321.84	7.26	-108.14
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300000311187	0	33	-2.0	-126.51	295.46	5.08	-121.43
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000311188	0	36	-2.0	-133.87	320.25	6.60	-127.27
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000311189	0	37	-3.0	-196.21	341.38	7.28	-188.93
COC1=CC(Cl)=C(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000311189	1	38	-2.0	-116.36	340.25	6.99	-109.37
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(F)=C1	REAL300000311190	0	37	-2.0	-131.18	335.85	6.88	-124.30
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300000311191	0	37	-2.0	-120.56	337.87	6.94	-113.62
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311192	0	39	-2.0	-132.61	348.17	7.91	-124.70
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1C#N	REAL300000311193	1	35	-2.0	-121.99	318.52	7.13	-114.86
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000311194	0	30	-2.0	-114.90	296.29	4.94	-109.96
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(F)=C1	REAL300000311195	0	35	-2.0	-134.08	310.61	5.51	-128.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300000311196	1	37	-2.0	-130.35	339.87	8.02	-122.33
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000311198	1	34	-2.0	-128.48	311.06	7.11	-121.37
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000311199	1	41	-2.0	-135.83	352.76	9.66	-126.17
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)N(C)N=C1	REAL300000311201	0	34	-2.0	-122.01	294.15	4.67	-117.34
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311202	0	40	-2.0	-131.69	357.74	7.79	-123.90
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN1C	REAL300000311203	0	43	-2.0	-126.31	380.57	7.47	-118.84
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000311204	0	29	-2.0	-125.32	282.48	4.80	-120.52
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(F)C=C1C	REAL300000311205	0	43	-2.0	-129.96	376.90	8.43	-121.53
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311206	1	45	-2.0	-137.91	390.10	4.44	-133.47
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311207	0	42	-2.0	-135.36	359.26	6.20	-129.16
CC1=CC(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000311208	0	37	-2.0	-105.12	327.52	7.54	-97.58
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000311208	1	36	-3.0	-194.37	323.56	7.34	-187.03
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300000311209	0	34	-2.0	-124.65	305.73	2.93	-121.72
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000311210	0	31	-2.0	-128.29	297.87	6.73	-121.56
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311211	0	40	-2.0	-128.73	349.61	8.84	-119.89
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300000311212	0	40	-2.0	-128.28	345.44	8.55	-119.73
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300000311213	0	34	-2.0	-127.53	317.74	7.99	-119.54
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000311214	0	34	-2.0	-131.48	310.45	7.49	-123.99
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311215	1	43	-2.0	-137.57	377.37	8.60	-128.97
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311216	0	44	-2.0	-131.72	380.73	8.08	-123.64
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1C	REAL300000311217	1	43	-2.0	-132.19	371.67	8.35	-123.84
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300000311218	0	42	-2.0	-144.11	355.27	7.65	-136.46
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300000311219	1	35	-2.0	-120.07	335.22	7.43	-112.64
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000311220	0	34	-2.0	-132.58	305.32	4.89	-127.69
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300000311221	0	32	-2.0	-136.17	308.18	7.06	-129.11
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311222	1	37	-2.0	-117.76	326.46	7.85	-109.91
CCOC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311223	1	38	-2.0	-132.45	329.91	6.47	-125.98
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000311224	0	31	-2.0	-133.40	300.87	7.10	-126.30
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2C=C1	REAL300000311225	1	40	-2.0	-136.47	346.35	9.17	-127.30
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000311226	0	28	-2.0	-125.79	286.87	5.70	-120.09
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311227	1	40	-2.0	-120.80	356.09	7.91	-112.89
CC1=CSC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311228	0	31	-2.0	-128.74	292.46	5.91	-122.83
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1	REAL300000311229	1	44	-2.0	-132.23	375.26	6.60	-125.63
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000311230	0	28	-2.0	-123.07	273.49	2.98	-120.09
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300000311231	0	36	-2.0	-134.85	330.39	7.57	-127.28
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000311232	0	30	-2.0	-126.73	282.62	4.26	-122.47
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311233	1	38	-2.0	-127.38	346.78	6.54	-120.84
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000311234	0	40	-2.0	-126.79	343.36	5.34	-121.45
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000311235	0	40	-2.0	-122.77	348.23	4.79	-117.98
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000311236	0	38	-3.0	-200.86	344.45	9.33	-191.53
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000311239	0	34	-2.0	-126.42	315.23	6.70	-119.72
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300000311240	0	34	-2.0	-130.18	331.60	8.11	-122.07
CC1=NSC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311241	0	30	-2.0	-124.42	287.37	4.55	-119.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300000311242	0	33	-2.0	-123.85	316.27	8.57	-115.28
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000311244	0	35	-2.0	-105.06	319.87	5.62	-99.44
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300000311244	1	35	-2.0	-120.13	323.19	5.56	-114.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300000311245	0	37	-2.0	-109.81	324.31	7.27	-102.54
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000311246	1	38	-2.0	-132.22	328.11	8.34	-123.88
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311247	1	40	-2.0	-131.11	371.93	8.33	-122.78
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000311248	0	28	-2.0	-127.99	277.17	5.29	-122.70
CC1=CC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C)=CC=C2NC1=O	REAL300000311249	1	40	-2.0	-126.00	349.62	5.99	-120.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300000311250	0	37	-2.0	-141.16	334.37	4.53	-136.63
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300000311251	0	34	-2.0	-129.38	309.77	4.90	-124.48
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000311252	1	40	-2.0	-129.00	343.36	7.84	-121.16
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000311253	1	32	-2.0	-115.51	305.26	6.70	-108.81
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300000311254	0	36	-2.0	-122.49	327.61	7.53	-114.96
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=CC=C1C(=O)[O-]	REAL300000311255	0	37	-2.0	-121.53	315.11	6.71	-114.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300000311256	0	32	-2.0	-129.79	310.51	5.58	-124.21
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000311257	0	35	-3.0	-208.35	330.90	8.61	-199.74
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300000311258	0	35	-2.0	-133.15	326.99	6.02	-127.13
CC1=CC2=CC(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])=CC=C2N=C1Cl	REAL300000311259	1	39	-2.0	-124.49	355.53	7.63	-116.86
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(F)C=C1C	REAL300000311261	0	40	-2.0	-129.29	355.15	7.49	-121.80
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000311262	0	31	-2.0	-120.79	311.47	6.44	-114.35
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000311263	0	36	-2.0	-135.55	315.71	3.17	-132.38
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000311264	0	34	-2.0	-131.91	311.51	6.68	-125.23
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN=C1C	REAL300000311265	0	39	-2.0	-122.69	345.22	5.58	-117.11
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000311266	1	43	-2.0	-134.64	382.54	5.45	-129.19
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000311267	0	33	-2.0	-117.54	299.49	5.44	-112.10
CC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)=C(Br)N1C	REAL300000311268	0	34	-2.0	-139.18	321.64	5.66	-133.52
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300000311269	1	37	-2.0	-123.57	332.99	7.76	-115.81
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311270	1	40	-2.0	-137.79	355.51	7.68	-130.11
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300000311271	1	33	-2.0	-120.39	318.31	6.12	-114.27
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C=NN1C	REAL300000311273	0	34	-2.0	-120.58	295.42	4.39	-116.19
C=CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000311274	1	35	-2.0	-132.27	309.96	7.33	-124.94
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311275	1	44	-2.0	-140.36	372.92	7.12	-133.24
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300000311276	0	34	-2.0	-126.45	298.20	4.53	-121.92
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311277	1	38	-2.0	-129.59	350.36	6.48	-123.11
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300000311278	1	46	-2.0	-133.27	391.91	9.06	-124.21
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000311279	0	31	-2.0	-125.47	286.85	3.58	-121.89
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000311280	0	37	-2.0	-119.24	320.38	5.95	-113.29
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311281	1	44	-2.0	-139.58	388.41	6.61	-132.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300000311282	1	45	-2.0	-135.89	370.51	8.28	-127.61
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300000311283	1	33	-2.0	-132.75	326.72	6.18	-126.57
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300000311284	0	39	-2.0	-126.86	349.87	6.35	-120.51
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300000311285	0	39	-2.0	-121.39	349.68	4.81	-116.58
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300000311286	1	38	-2.0	-132.91	335.05	5.98	-126.93
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311287	1	44	-2.0	-126.90	364.65	7.29	-119.61
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1Cl	REAL300000311288	1	35	-2.0	-123.61	324.08	6.10	-117.51
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000311289	0	33	-3.0	-207.13	310.84	6.84	-200.29
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000311290	0	28	-2.0	-127.39	278.20	4.27	-123.12
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000311291	0	33	-2.0	-139.17	309.73	5.66	-133.51
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000311292	1	36	-2.0	-131.71	314.33	6.08	-125.63
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000311293	0	37	-2.0	-138.69	329.23	8.56	-130.13
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300000311294	0	34	-2.0	-135.95	316.76	5.55	-130.40
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000311295	0	34	-2.0	-125.12	301.43	7.62	-117.50
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300000311296	0	35	-2.0	-118.87	320.37	6.81	-112.06
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000311297	0	36	-2.0	-139.35	312.54	6.55	-132.80
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300000311298	1	40	-2.0	-135.60	361.47	7.72	-127.88
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C2=CC=CC(C)=C2S1	REAL300000311299	0	40	-2.0	-128.51	345.12	9.15	-119.36
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300000311300	0	35	-2.0	-119.45	330.70	7.26	-112.19
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(F)=C1	REAL300000311305	0	34	-2.0	-137.67	308.44	7.20	-130.47
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000311307	0	30	-2.0	-119.04	302.21	5.38	-113.66
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300000311308	0	31	-2.0	-116.80	297.46	4.29	-112.51
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000311309	1	36	-2.0	-125.58	322.41	4.70	-120.88
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000311311	0	37	-2.0	-107.80	335.37	7.31	-100.49
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000311311	1	36	-3.0	-211.76	332.30	7.49	-204.27
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311313	0	35	-2.0	-127.20	310.60	6.55	-120.65
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300000311314	1	34	-2.0	-122.67	318.14	5.34	-117.33
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000311315	1	39	-2.0	-136.49	340.95	8.07	-128.42
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311316	0	47	-2.0	-135.18	380.37	8.81	-126.37
COC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300000311318	0	34	-2.0	-120.57	321.80	3.48	-117.09
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000311319	1	35	-2.0	-125.23	328.29	4.39	-120.84
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1Cl	REAL300000311320	1	34	-2.0	-124.78	314.52	7.34	-117.44
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000311321	1	37	-2.0	-147.74	326.65	7.23	-140.51
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2)=N1	REAL300000311322	1	40	-2.0	-128.58	364.95	7.71	-120.87
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311323	0	40	-2.0	-134.22	356.21	7.49	-126.73
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000311324	0	33	-2.0	-135.67	305.33	7.48	-128.19
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C(F)(F)F	REAL300000311326	0	33	-2.0	-119.01	314.29	6.10	-112.91
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000311327	1	34	-2.0	-125.74	321.06	4.43	-121.31
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000311328	0	30	-2.0	-135.27	276.23	4.33	-130.94
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000311330	0	30	-2.0	-120.99	279.96	4.41	-116.58
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=NC(Cl)=CC=C2S1	REAL300000311332	0	33	-2.0	-126.00	329.48	6.23	-119.77
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000311334	1	31	-2.0	-118.30	301.15	6.81	-111.49
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000311335	0	40	-2.0	-133.13	331.36	6.53	-126.60
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300000311336	1	38	-2.0	-133.62	344.15	4.09	-129.53
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000311337	0	39	-2.0	-140.04	330.91	7.40	-132.64
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300000311338	0	41	-2.0	-133.05	348.57	5.14	-127.91
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(F)=C1	REAL300000311339	0	40	-2.0	-130.54	357.71	7.81	-122.73
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])S2)C1	REAL300000311341	0	42	-2.0	-127.64	369.96	6.77	-120.87
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000311342	1	46	-2.0	-133.35	388.74	8.58	-124.77
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311344	1	38	-2.0	-148.42	334.48	3.68	-144.74
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300000311347	1	43	-2.0	-129.49	363.12	7.69	-121.80
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])=C2)=N1	REAL300000311348	1	43	-2.0	-126.39	365.26	5.95	-120.44
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C	REAL300000311349	1	42	-2.0	-138.27	362.80	5.32	-132.95
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311350	0	36	-2.0	-116.04	331.75	7.98	-108.06
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300000311351	1	39	-2.0	-128.49	359.11	5.08	-123.41
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300000311353	0	38	-2.0	-140.79	336.54	8.37	-132.42
COC(=O)C1=CC=CC2=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=CC=C12	REAL300000311354	1	43	-2.0	-132.33	366.66	8.95	-123.38
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1F	REAL300000311355	0	37	-2.0	-134.94	340.45	6.89	-128.05
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311356	1	44	-2.0	-133.11	368.87	7.93	-125.18
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300000311359	0	44	-2.0	-123.64	381.29	8.37	-115.27
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300000311360	0	36	-2.0	-132.54	320.54	8.70	-123.84
CCC1=NC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN1CC1CC1	REAL300000311361	0	44	-2.0	-138.78	372.99	8.05	-130.73
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])O1	REAL300000311362	0	37	-2.0	-123.09	336.31	5.61	-117.48
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2C1	REAL300000311363	1	42	-2.0	-141.57	363.54	6.81	-134.76
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000311364	0	34	-2.0	-126.17	318.64	5.74	-120.43
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300000311366	1	39	-2.0	-126.30	335.95	8.38	-117.92
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000311367	0	40	-2.0	-131.14	352.40	9.11	-122.03
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000311367	1	39	-3.0	-210.47	348.04	8.94	-201.53
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300000311368	0	34	-2.0	-111.82	319.63	4.85	-106.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300000311369	1	42	-2.0	-132.11	378.72	10.34	-121.77
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000311370	0	30	-2.0	-127.65	293.09	4.75	-122.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300000311371	1	41	-2.0	-142.32	338.77	9.48	-132.84
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(F)=C1F	REAL300000311372	0	34	-2.0	-136.99	307.79	6.93	-130.06
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000311374	0	33	-2.0	-142.95	305.65	5.25	-137.70
CCCCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(C)=N1	REAL300000311375	0	43	-2.0	-126.45	362.70	6.94	-119.51
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(OC)C=C1F	REAL300000311376	0	41	-2.0	-121.38	363.39	7.18	-114.20
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000311378	0	32	-3.0	-204.84	304.50	4.86	-199.98
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311379	0	35	-2.0	-131.69	314.52	6.12	-125.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000311381	1	43	-2.0	-132.10	356.78	8.50	-123.60
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000311382	1	32	-2.0	-120.19	305.79	6.70	-113.49
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300000311383	0	34	-2.0	-120.10	304.13	4.68	-115.42
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000311384	0	33	-2.0	-144.64	302.07	5.43	-139.21
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000311384	1	33	-2.0	-129.87	298.42	5.17	-124.70
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000311385	0	35	-2.0	-140.89	309.01	6.11	-134.78
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000311386	0	41	-2.0	-128.40	337.51	6.30	-122.10
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000311387	0	43	-2.0	-124.22	342.15	6.58	-117.64
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000311388	0	41	-2.0	-126.63	345.98	6.61	-120.02
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1Br	REAL300000311389	0	31	-2.0	-124.60	299.24	4.34	-120.26
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000311391	0	32	-2.0	-106.53	287.21	4.67	-101.86
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000311391	1	32	-2.0	-121.38	290.54	4.62	-116.76
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000311392	1	41	-2.0	-130.93	356.08	9.02	-121.91
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311393	0	37	-2.0	-124.20	315.43	5.15	-119.05
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300000311394	1	36	-2.0	-124.33	324.34	6.74	-117.59
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000311395	0	31	-2.0	-120.89	284.27	3.59	-117.30
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000311396	1	34	-2.0	-122.58	317.75	7.20	-115.38
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000311400	1	38	-2.0	-133.49	342.63	8.19	-125.30
COC1=NSC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311402	0	31	-2.0	-118.35	298.14	2.04	-116.31
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311403	0	45	-2.0	-137.72	375.59	6.38	-131.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311406	0	37	-3.0	-192.73	332.58	7.06	-185.67
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=C(C)C=CC=C1C(=O)[O-]	REAL300000311406	1	38	-2.0	-112.87	331.68	6.92	-105.95
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C=C(C(N)=O)O1	REAL300000311407	0	35	-2.0	-119.00	314.51	1.77	-117.23
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311408	1	40	-2.0	-121.37	326.66	8.37	-113.00
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000311409	0	31	-2.0	-122.86	292.13	5.99	-116.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000311410	0	30	-3.0	-184.46	303.74	5.70	-178.76
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300000311411	0	47	-2.0	-125.62	392.22	9.04	-116.58
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000311412	1	36	-2.0	-140.64	308.70	6.57	-134.07
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311413	0	38	-2.0	-133.35	341.69	6.24	-127.11
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000311414	0	32	-2.0	-135.19	301.45	6.57	-128.62
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311415	0	34	-2.0	-117.97	333.43	5.53	-112.44
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300000311416	1	45	-2.0	-129.01	374.12	6.32	-122.69
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C21	REAL300000311417	1	45	-2.0	-151.35	379.38	8.19	-143.16
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000311418	0	38	-2.0	-130.40	328.45	5.92	-124.48
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000311419	0	38	-2.0	-124.47	325.87	6.14	-118.33
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000311420	0	41	-2.0	-125.06	348.05	6.86	-118.20
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300000311421	0	43	-2.0	-128.69	363.00	8.94	-119.75
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311422	0	44	-2.0	-133.39	377.30	7.85	-125.54
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300000311423	0	36	-2.0	-127.17	330.54	5.16	-122.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300000311423	1	35	-3.0	-241.25	327.16	6.13	-235.12
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300000311424	0	42	-2.0	-133.10	353.12	4.29	-128.81
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300000311425	0	37	-2.0	-130.06	345.73	7.14	-122.92
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000311426	1	37	-2.0	-128.99	329.28	3.48	-125.51
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000311427	0	28	-2.0	-126.79	280.81	4.92	-121.87
COC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300000311428	1	35	-2.0	-119.18	324.59	5.79	-113.39
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000311429	0	38	-2.0	-133.19	323.43	6.26	-126.93
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300000311430	0	35	-2.0	-125.23	316.87	5.59	-119.64
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300000311432	0	41	-2.0	-127.72	347.53	8.02	-119.70
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300000311433	0	34	-2.0	-123.11	301.95	6.95	-116.16
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000311434	0	39	-2.0	-138.51	331.70	7.21	-131.30
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000311435	0	39	-2.0	-126.69	347.56	5.90	-120.79
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300000311436	1	39	-2.0	-130.57	346.94	8.45	-122.12
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311437	0	35	-2.0	-130.75	316.02	6.70	-124.05
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300000311438	0	37	-2.0	-134.18	332.42	6.88	-127.30
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C21	REAL300000311439	1	45	-2.0	-162.09	377.93	7.86	-154.23
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000311440	0	28	-2.0	-123.99	278.93	5.55	-118.44
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Br)=NN1C	REAL300000311441	0	31	-2.0	-114.40	299.62	4.42	-109.98
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000311442	0	33	-2.0	-119.24	312.45	5.41	-113.83
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300000311443	0	36	-2.0	-144.42	319.40	5.86	-138.56
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000311444	1	32	-2.0	-116.13	293.44	5.03	-111.10
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000311445	0	34	-2.0	-135.62	317.73	7.68	-127.94
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000311446	0	34	-2.0	-147.53	323.81	5.95	-141.58
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000311447	0	38	-2.0	-126.26	329.23	5.92	-120.34
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(C)=C1F	REAL300000311448	1	40	-2.0	-126.81	330.63	8.52	-118.29
COC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1OC	REAL300000311449	0	39	-2.0	-137.22	337.48	5.95	-131.27
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300000311450	1	40	-2.0	-130.37	346.85	3.47	-126.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300000311451	1	32	-2.0	-116.01	319.07	7.14	-108.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000311452	0	34	-2.0	-134.79	305.54	6.45	-128.34
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1OC	REAL300000311453	0	39	-2.0	-139.36	338.14	6.49	-132.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300000311454	0	44	-2.0	-130.39	361.17	6.98	-123.41
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000311455	0	38	-2.0	-128.90	331.95	6.12	-122.78
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000311457	0	34	-2.0	-137.99	308.32	5.40	-132.59
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000311458	0	36	-2.0	-151.22	321.11	4.73	-146.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Br	REAL300000311459	1	37	-2.0	-122.74	327.54	8.03	-114.71
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000311460	0	38	-2.0	-123.30	309.58	7.87	-115.43
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN=C1N	REAL300000311461	1	35	-2.0	-129.58	306.57	3.96	-125.62
COC1=NSC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311462	0	31	-2.0	-124.38	293.41	2.64	-121.74
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000311465	1	34	-2.0	-124.88	307.40	6.49	-118.39
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000311466	0	41	-2.0	-129.26	344.57	6.52	-122.74
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300000311467	1	49	-2.0	-126.82	382.72	9.89	-116.93
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000311468	0	28	-2.0	-122.73	279.63	5.66	-117.07
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000311469	0	41	-2.0	-125.50	352.51	6.89	-118.61
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000311470	0	35	-2.0	-134.70	313.05	7.36	-127.34
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300000311471	0	42	-2.0	-135.49	377.23	9.02	-126.47
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300000311472	1	44	-2.0	-139.28	368.67	4.64	-134.64
COC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000311473	0	40	-2.0	-154.89	344.21	7.36	-147.53
CCCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311474	1	40	-2.0	-133.28	342.95	8.45	-124.83
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311475	0	37	-2.0	-115.94	333.97	4.65	-111.29
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000311476	0	38	-2.0	-126.66	323.71	5.82	-120.84
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000311477	0	35	-2.0	-116.44	335.00	7.59	-108.85
COC(=O)C1=CC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2C=C1	REAL300000311478	1	43	-2.0	-129.78	379.73	9.15	-120.63
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000311480	0	40	-2.0	-117.02	318.38	5.98	-111.04
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000311481	0	40	-2.0	-126.26	343.03	5.96	-120.30
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000311482	0	38	-2.0	-125.47	321.60	5.21	-120.26
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN=C1C(F)(F)F	REAL300000311483	0	36	-2.0	-117.64	329.48	6.07	-111.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000311484	0	42	-2.0	-127.03	353.13	7.07	-119.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C([N+](=O)[O-])=C1	REAL300000311485	0	33	-2.0	-114.66	317.58	6.99	-107.67
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300000311486	1	34	-2.0	-120.39	323.70	7.31	-113.08
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000311487	1	34	-2.0	-130.03	306.87	7.06	-122.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000311488	0	31	-2.0	-121.42	299.79	6.42	-115.00
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000311489	0	31	-2.0	-123.29	310.28	6.36	-116.93
CC1=NN(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311490	0	34	-2.0	-121.10	300.20	4.45	-116.65
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300000311492	1	34	-2.0	-120.90	330.46	7.66	-113.24
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1C	REAL300000311493	1	37	-2.0	-128.63	305.11	7.39	-121.24
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000311494	0	34	-2.0	-137.14	295.62	7.39	-129.75
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311495	1	42	-2.0	-137.34	363.14	8.28	-129.06
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300000311497	1	41	-2.0	-128.45	358.79	7.93	-120.52
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300000311499	0	36	-2.0	-116.79	334.73	7.18	-109.61
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000311500	1	40	-2.0	-131.12	357.29	7.89	-123.23
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000311501	0	32	-2.0	-127.11	304.68	6.92	-120.19
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300000311502	0	40	-2.0	-138.41	352.68	6.22	-132.19
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000311503	0	31	-2.0	-128.71	292.12	6.30	-122.41
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000311504	1	38	-2.0	-133.25	327.78	8.35	-124.90
COC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=CS1	REAL300000311505	0	32	-2.0	-128.98	298.70	5.11	-123.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300000311506	0	34	-2.0	-127.12	307.39	7.54	-119.58
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311507	0	37	-2.0	-126.68	344.88	6.60	-120.08
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000311508	0	38	-2.0	-135.88	330.36	8.32	-127.56
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000311509	0	41	-2.0	-125.66	343.61	6.87	-118.79
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311510	0	40	-2.0	-122.38	340.24	5.93	-116.45
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000311511	1	40	-2.0	-134.90	349.60	3.78	-131.12
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300000311512	0	34	-2.0	-135.53	332.83	2.74	-132.79
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000311513	0	36	-2.0	-138.52	320.88	4.67	-133.85
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])O1	REAL300000311514	0	34	-2.0	-133.75	304.63	5.85	-127.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000311515	0	31	-2.0	-126.46	302.41	5.47	-120.99
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311516	0	35	-2.0	-118.75	316.89	6.62	-112.13
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300000311517	0	45	-2.0	-125.65	369.89	5.19	-120.46
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000311518	1	37	-2.0	-129.62	331.77	7.77	-121.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000311519	1	35	-2.0	-129.83	317.81	5.82	-124.01
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000311521	0	32	-2.0	-126.05	302.68	4.69	-121.36
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300000311522	0	42	-2.0	-148.71	348.02	8.43	-140.28
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000311524	0	34	-2.0	-120.08	311.21	4.95	-115.13
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311525	1	41	-2.0	-133.34	355.48	6.93	-126.41
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1CCl	REAL300000311526	0	34	-2.0	-118.86	323.15	5.53	-113.33
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300000311527	0	41	-2.0	-127.09	359.97	7.24	-119.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000311528	0	44	-2.0	-126.50	365.44	7.18	-119.32
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000311530	1	34	-2.0	-133.08	298.23	7.06	-126.02
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311531	1	43	-2.0	-138.58	365.31	8.75	-129.83
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC(C)=C1Br	REAL300000311532	1	37	-2.0	-126.94	336.41	7.99	-118.95
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000311533	0	34	-2.0	-137.13	304.38	6.65	-130.48
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000311534	1	33	-2.0	-130.74	309.50	5.64	-125.10
CCN1N=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=N1	REAL300000311535	0	33	-2.0	-130.19	299.59	3.11	-127.08
CCN1N=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1Cl	REAL300000311536	0	34	-2.0	-119.37	316.81	5.09	-114.28
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300000311538	0	33	-2.0	-118.71	319.72	5.52	-113.19
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300000311539	0	36	-2.0	-138.21	331.58	7.33	-130.88
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000311540	0	28	-2.0	-127.32	278.30	4.87	-122.45
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300000311541	1	36	-2.0	-135.32	329.27	7.10	-128.22
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C2=CC=CC=C12	REAL300000311542	1	40	-2.0	-138.39	331.04	8.92	-129.47
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300000311544	1	45	-2.0	-124.76	383.64	7.76	-117.00
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000311545	0	31	-2.0	-125.88	303.21	6.76	-119.12
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)O1	REAL300000311546	0	37	-2.0	-143.19	342.17	2.54	-140.65
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300000311547	0	41	-2.0	-119.81	347.39	7.39	-112.42
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000311551	0	35	-2.0	-130.57	322.53	7.56	-123.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300000311552	0	34	-2.0	-123.23	324.01	7.05	-116.18
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300000311554	0	27	-2.0	-114.13	284.24	4.47	-109.66
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300000311555	1	41	-2.0	-129.37	365.55	8.14	-121.23
COC1=CSC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1OC	REAL300000311556	0	36	-2.0	-127.73	331.89	4.25	-123.48
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000311557	0	32	-2.0	-105.53	306.81	4.50	-101.03
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000311557	1	31	-3.0	-188.86	308.71	5.11	-183.75
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000311558	0	30	-2.0	-113.61	296.19	4.89	-108.72
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300000311559	0	35	-2.0	-127.83	329.87	6.93	-120.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300000311560	1	35	-2.0	-125.59	324.53	5.88	-119.71
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000311561	0	37	-2.0	-127.21	324.72	5.99	-121.22
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000311562	1	38	-2.0	-138.43	332.76	8.01	-130.42
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300000311563	0	34	-2.0	-133.24	303.93	7.38	-125.86
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300000311564	1	40	-2.0	-125.66	357.44	6.73	-118.93
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300000311565	0	28	-2.0	-117.56	303.95	6.35	-111.21
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000311566	0	31	-2.0	-118.70	295.01	4.22	-114.48
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300000311567	0	44	-2.0	-133.27	371.54	8.66	-124.61
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300000311568	1	36	-2.0	-125.99	330.33	6.88	-119.11
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300000311569	1	42	-2.0	-131.79	368.19	9.12	-122.67
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000311570	0	37	-2.0	-139.80	309.61	7.79	-132.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000311571	0	29	-2.0	-127.64	281.74	4.70	-122.94
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300000311572	1	36	-2.0	-120.84	333.39	4.83	-116.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300000311573	0	32	-2.0	-127.77	317.97	5.15	-122.62
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000311574	0	40	-2.0	-128.04	362.19	5.10	-122.94
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300000311574	1	39	-3.0	-207.00	358.90	3.97	-203.03
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311575	0	33	-2.0	-113.68	299.98	5.47	-108.21
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311576	1	42	-2.0	-132.67	362.23	7.87	-124.80
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(C2CC2)=N1	REAL300000311577	0	41	-2.0	-129.42	353.44	6.98	-122.44
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300000311578	0	35	-2.0	-139.70	314.06	5.47	-134.23
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300000311579	1	37	-2.0	-129.34	341.69	9.01	-120.33
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C(Cl)S1	REAL300000311581	0	34	-2.0	-129.19	327.42	7.22	-121.97
CCC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1Br	REAL300000311582	1	37	-2.0	-127.16	337.60	8.12	-119.04
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311583	0	44	-2.0	-125.83	367.05	7.25	-118.58
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000311584	0	28	-2.0	-124.60	277.48	4.75	-119.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000311585	0	28	-2.0	-121.18	287.70	5.76	-115.42
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311586	0	45	-2.0	-133.48	380.76	6.98	-126.50
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300000311587	0	37	-2.0	-133.84	335.67	9.02	-124.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000311588	0	39	-2.0	-126.94	328.97	3.97	-122.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000311589	1	38	-2.0	-133.54	320.04	8.28	-125.26
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(C)=N1	REAL300000311593	1	37	-2.0	-119.94	314.75	3.50	-116.44
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311594	0	37	-2.0	-133.47	326.13	4.03	-129.44
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311596	0	34	-2.0	-126.61	321.44	3.88	-122.73
COC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C	REAL300000311597	0	37	-2.0	-124.30	325.87	3.66	-120.64
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000311598	0	40	-2.0	-128.90	341.48	6.40	-122.50
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300000311599	0	40	-2.0	-127.16	338.43	5.91	-121.25
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300000311600	0	30	-2.0	-126.39	306.51	4.20	-122.19
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000311601	0	29	-2.0	-130.93	278.00	4.66	-126.27
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000311602	0	29	-2.0	-125.56	290.93	5.57	-119.99
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000311604	0	37	-2.0	-120.68	319.35	5.45	-115.23
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C	REAL300000311605	0	39	-2.0	-121.28	345.78	5.62	-115.66
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000311606	0	41	-2.0	-113.07	356.20	8.52	-104.55
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000311606	1	40	-3.0	-204.52	353.12	8.68	-195.84
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300000311607	0	34	-2.0	-131.62	314.58	8.40	-123.22
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000311608	0	38	-2.0	-120.28	328.77	6.06	-114.22
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000311609	0	38	-2.0	-126.52	325.93	7.23	-119.29
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C=NN1C(C)C	REAL300000311611	0	40	-2.0	-121.86	337.84	5.96	-115.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300000311612	1	38	-2.0	-138.34	338.38	8.44	-129.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000311613	0	33	-2.0	-131.65	308.29	5.35	-126.30
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(S(=O)(=O)F)=CS1	REAL300000311614	0	31	-2.0	-124.75	318.30	2.37	-122.38
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300000311617	1	38	-2.0	-131.47	340.38	8.47	-123.00
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300000311618	0	35	-2.0	-133.64	325.41	6.58	-127.06
CC1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000311619	0	41	-2.0	-123.97	354.17	8.50	-115.47
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000311619	1	40	-3.0	-205.78	352.45	8.70	-197.08
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000311620	1	32	-2.0	-130.77	289.57	3.39	-127.38
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000311621	0	34	-2.0	-132.57	313.30	7.08	-125.49
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000311622	0	35	-2.0	-147.76	326.45	5.53	-142.23
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300000311623	1	38	-2.0	-129.60	321.33	8.15	-121.45
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000311624	0	34	-2.0	-126.93	319.20	7.69	-119.24
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300000311625	0	35	-2.0	-124.69	327.09	6.01	-118.68
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300000311626	0	38	-2.0	-131.75	346.13	7.27	-124.48
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(C(F)F)=C1	REAL300000311627	1	38	-2.0	-126.38	328.67	6.39	-119.99
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)OC	REAL300000311628	1	44	-2.0	-126.49	382.49	7.87	-118.62
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2C1	REAL300000311629	1	44	-2.0	-137.79	377.93	8.77	-129.02
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300000311630	0	37	-2.0	-125.80	343.56	4.34	-121.46
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C2=NC=CC=C12	REAL300000311631	0	39	-2.0	-146.02	333.63	7.67	-138.35
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000311632	0	36	-3.0	-186.22	327.04	6.65	-179.57
CCC1=C(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000311632	1	37	-2.0	-103.32	322.85	5.60	-97.72
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311633	0	44	-2.0	-136.47	361.38	8.39	-128.08
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C=C(Cl)S1	REAL300000311634	0	31	-2.0	-116.29	298.82	6.53	-109.76
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300000311635	0	38	-2.0	-132.88	347.68	7.08	-125.80
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000311636	0	38	-2.0	-132.88	323.90	5.55	-127.33
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300000311637	0	34	-2.0	-136.50	302.56	6.88	-129.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)=CC=C1F	REAL300000311638	1	37	-2.0	-107.26	351.44	3.55	-103.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C=C1	REAL300000311639	1	37	-2.0	-97.44	346.90	3.51	-93.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)=C1	REAL300000311640	1	37	-2.0	-110.52	347.08	3.51	-107.01
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C=C1	REAL300000311641	1	41	-2.0	-97.20	378.37	4.81	-92.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000311642	1	40	-2.0	-111.14	363.19	4.05	-107.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)=C1C	REAL300000311643	1	43	-2.0	-112.91	379.58	4.87	-108.04
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)=C1	REAL300000311644	0	37	-2.0	-107.23	352.56	3.57	-103.66
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C=C1	REAL300000311645	1	43	-2.0	-96.10	390.49	5.10	-91.00
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)=C1	REAL300000311646	0	34	-2.0	-104.67	340.27	2.52	-102.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2=CN=CC=N2)=C1	REAL300000311647	1	40	-2.0	-110.76	362.33	4.30	-106.46
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000311648	0	38	-2.0	-108.80	353.54	2.87	-105.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)=C1	REAL300000311649	0	37	-2.0	-100.40	356.00	3.19	-97.21
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000311650	1	43	-2.0	-112.32	378.31	4.85	-107.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)=CS1	REAL300000311651	0	34	-2.0	-106.16	338.73	2.54	-103.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2=CN=CC=N2)=C1	REAL300000311652	1	43	-2.0	-108.91	377.22	5.23	-103.68
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000311653	0	37	-2.0	-103.92	350.09	2.64	-101.28
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C=C(C(=O)[O-])S1	REAL300000311654	0	37	-2.0	-107.23	355.68	3.40	-103.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C=C1F	REAL300000311655	1	37	-2.0	-97.25	351.42	3.55	-93.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)S1	REAL300000311656	0	34	-2.0	-99.24	339.17	2.63	-96.61
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)=C1	REAL300000311657	1	37	-2.0	-101.28	353.49	3.57	-97.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C(F)=C1	REAL300000311658	0	37	-2.0	-97.30	352.54	3.58	-93.72
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)=C1	REAL300000311659	0	38	-2.0	-109.25	356.60	1.23	-108.02
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(OC3=CN=CC=N3)=C2)=C1	REAL300000311659	1	38	-2.0	-109.05	355.70	2.09	-106.96
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C=C1	REAL300000311660	1	40	-2.0	-100.52	369.09	4.29	-96.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2=CN=CC=N2)=C1	REAL300000311661	1	40	-2.0	-106.62	357.16	4.15	-102.47
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2=CN=CC=N2)=C1	REAL300000311662	1	40	-2.0	-97.81	362.31	4.29	-93.52
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)=CC(C(=O)[O-])=C1C	REAL300000311663	1	43	-2.0	-113.06	379.99	4.58	-108.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C(C)=C1C(=O)[O-]	REAL300000311664	1	43	-2.0	-111.07	380.47	4.91	-106.16
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000311665	1	43	-2.0	-112.43	381.44	4.72	-107.71
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000311666	0	41	-2.0	-110.03	374.91	3.73	-106.30
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)=CC=C1C(=O)[O-]	REAL300000311667	1	40	-2.0	-97.92	363.26	4.03	-93.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)=C1F	REAL300000311668	0	37	-2.0	-114.43	350.56	3.55	-110.88
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)=C1	REAL300000311669	0	36	-2.0	-106.77	343.88	1.57	-105.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)=C(Cl)O1	REAL300000311670	0	34	-2.0	-97.83	347.23	2.48	-95.35
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CN=CC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000311671	0	40	-2.0	-103.70	369.21	3.49	-100.21
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000311672	1	39	-2.0	-116.47	360.22	3.88	-112.59
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000311673	1	39	-2.0	-106.55	355.66	3.86	-102.69
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000311674	1	39	-2.0	-119.02	355.68	3.85	-115.17
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000311675	0	43	-2.0	-123.42	383.82	3.65	-119.77
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000311676	1	43	-2.0	-105.80	387.15	5.15	-100.65
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000311677	1	42	-2.0	-120.15	371.69	4.39	-115.76
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000311678	0	39	-2.0	-113.57	368.75	4.43	-109.14
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000311679	1	39	-2.0	-114.83	368.19	4.25	-110.58
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000311680	1	45	-2.0	-120.83	388.35	5.21	-115.62
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000311681	0	39	-2.0	-115.49	361.15	3.92	-111.57
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000311682	1	45	-2.0	-104.86	399.26	5.44	-99.42
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000311683	0	36	-2.0	-113.28	348.86	2.87	-110.41
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000311684	1	42	-2.0	-118.62	371.11	4.64	-113.98
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000311685	1	43	-2.0	-104.51	386.76	4.14	-100.37
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000311686	0	40	-2.0	-117.50	362.33	3.21	-114.29
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000311688	0	39	-2.0	-109.54	364.79	3.54	-106.00
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000311689	1	45	-2.0	-120.18	386.75	5.20	-114.98
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000311690	0	36	-2.0	-114.80	347.33	2.89	-111.91
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000311691	1	43	-2.0	-124.96	382.97	3.92	-121.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(=O)NC)=C1	REAL300000311692	1	45	-2.0	-116.58	385.85	5.58	-111.00
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000311693	0	39	-2.0	-112.22	358.69	2.99	-109.23
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000311694	0	43	-2.0	-121.66	384.60	2.94	-118.72
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000311695	1	42	-2.0	-109.45	376.39	4.67	-104.78
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000311696	0	39	-2.0	-115.11	365.37	3.74	-111.37
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000311697	0	39	-2.0	-104.10	368.73	4.42	-99.68
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000311698	1	39	-2.0	-106.09	360.20	3.89	-102.20
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000311699	0	36	-2.0	-108.29	347.94	2.98	-105.31
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000311700	1	39	-2.0	-109.89	362.09	3.91	-105.98
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000311701	0	42	-2.0	-116.95	381.44	4.56	-112.39
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000311702	0	39	-2.0	-106.09	361.14	3.93	-102.16
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000311703	1	39	-2.0	-104.15	368.17	4.26	-99.89
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000311704	0	40	-2.0	-117.09	365.38	1.57	-115.52
CNC(=O)COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000311704	1	40	-2.0	-116.49	364.49	2.44	-114.05
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000311705	1	42	-2.0	-109.20	377.86	4.63	-104.57
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000311706	1	42	-2.0	-116.13	365.74	4.49	-111.64
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000311707	1	42	-2.0	-117.86	380.51	4.51	-113.35
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000311708	1	42	-2.0	-106.45	371.09	4.63	-101.82
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000311709	1	45	-2.0	-123.66	392.47	5.02	-118.64
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000311710	1	45	-2.0	-120.55	389.07	5.26	-115.29
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000311711	0	42	-2.0	-117.76	380.99	4.55	-113.21
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000311712	0	42	-2.0	-125.30	380.71	4.55	-120.75
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(=O)NC)=C2)C=C1C(=O)[O-]	REAL300000311713	1	45	-2.0	-120.88	389.61	5.04	-115.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCC(=O)NC)=C2)C=C1C(=O)[O-]	REAL300000311714	0	43	-2.0	-118.81	383.81	4.07	-114.74
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000311715	1	42	-2.0	-106.72	371.68	4.40	-102.32
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000311716	1	42	-2.0	-116.27	375.21	4.69	-111.58
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000311717	0	39	-2.0	-124.36	359.34	3.89	-120.47
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000311718	1	42	-2.0	-111.85	380.62	4.53	-107.32
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000311719	0	38	-2.0	-114.81	352.66	1.91	-112.90
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000311720	0	43	-2.0	-110.64	383.87	3.66	-106.98
CNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000311721	0	36	-2.0	-106.38	355.82	2.83	-103.55
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC(=O)NC)=C2)C=C(C(=O)[O-])O1	REAL300000311722	0	42	-2.0	-111.81	377.81	3.84	-107.97
CS(=O)(=O)C1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000311723	0	38	-2.0	-109.65	366.97	1.39	-108.26
CS(=O)(=O)C1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000311724	0	38	-2.0	-122.19	366.99	1.39	-120.80
CS(=O)(=O)C1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000311725	0	37	-2.0	-119.52	363.21	-0.48	-120.00
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1	REAL300000311728	1	37	-2.0	-112.96	344.21	8.09	-104.87
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CN2C=NC=N2)C=C1	REAL300000311729	0	41	-2.0	-118.40	372.34	7.89	-110.51
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)C=C1	REAL300000311730	1	41	-2.0	-100.69	375.65	9.39	-91.30
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1	REAL300000311732	0	37	-2.0	-108.46	357.27	8.67	-99.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=CC=C1Cl	REAL300000311733	1	37	-2.0	-108.76	356.71	8.49	-100.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1C	REAL300000311734	1	43	-2.0	-115.42	376.60	9.40	-106.02
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1	REAL300000311735	0	37	-2.0	-110.42	349.68	8.16	-102.26
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)C=C1	REAL300000311736	1	43	-2.0	-99.76	387.77	9.69	-90.07
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1	REAL300000311737	0	34	-2.0	-107.40	337.39	7.11	-100.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CN2C=NC=N2)C=C1	REAL300000311738	1	40	-2.0	-113.56	359.64	8.88	-104.68
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)C=C1C(=O)[O-]	REAL300000311740	1	38	-2.0	-111.50	350.86	7.44	-104.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1	REAL300000311742	0	37	-2.0	-104.33	353.33	7.78	-96.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=CS1	REAL300000311744	0	34	-2.0	-110.02	335.85	7.13	-102.89
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CN2C=NC=N2)C=C1	REAL300000311746	1	43	-2.0	-111.84	374.35	9.81	-102.03
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1	REAL300000311747	1	44	-2.0	-117.84	388.45	9.99	-107.85
CC1=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000311748	0	37	-2.0	-106.87	347.21	7.23	-99.64
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1	REAL300000311749	0	41	-2.0	-115.51	373.17	7.18	-108.33
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CN2C=NC=N2)C=C1	REAL300000311750	1	40	-2.0	-104.28	364.92	8.92	-95.36
CC1=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000311751	1	37	-2.0	-110.16	352.80	7.99	-102.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)C(Cl)=C1	REAL300000311752	0	37	-2.0	-98.69	357.25	8.66	-90.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)C=C1F	REAL300000311753	1	37	-2.0	-100.48	348.72	8.13	-92.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)S1	REAL300000311754	0	34	-2.0	-102.99	336.48	7.22	-95.77
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1	REAL300000311755	1	37	-2.0	-103.93	350.61	8.16	-95.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1F	REAL300000311756	0	40	-2.0	-111.81	369.96	8.80	-103.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)C(F)=C1	REAL300000311757	0	37	-2.0	-100.83	349.67	8.17	-92.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)C=C1Cl	REAL300000311758	1	37	-2.0	-98.57	356.69	8.50	-90.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=CC(F)=C1F	REAL300000311759	1	37	-2.0	-103.16	355.02	8.19	-94.97
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1	REAL300000311760	0	38	-2.0	-112.55	353.92	5.80	-106.75
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(CN3C=NC=N3)C=C2)=C1	REAL300000311760	1	38	-2.0	-108.32	353.11	6.59	-101.73
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)C=C1	REAL300000311761	1	40	-2.0	-104.44	366.37	8.88	-95.56
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CN2C=NC=N2)C=C1	REAL300000311762	1	40	-2.0	-111.67	358.03	8.83	-102.84
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1	REAL300000311766	0	37	-2.0	-102.19	355.96	8.22	-93.97
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)C=C1C(=O)[O-]	REAL300000311768	0	40	-2.0	-111.52	365.68	8.69	-102.83
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1	REAL300000311769	0	40	-2.0	-119.76	369.24	8.79	-110.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)C=C1C(=O)[O-]	REAL300000311771	1	41	-2.0	-112.69	372.23	8.32	-104.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1F	REAL300000311774	0	37	-2.0	-118.92	347.83	8.12	-110.80
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)C=C1C(=O)[O-]	REAL300000311775	1	40	-2.0	-106.95	369.17	8.76	-98.19
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C1	REAL300000311776	0	36	-2.0	-111.99	340.41	6.21	-105.78
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CN2C=NC=N2)C=C1	REAL300000311777	0	41	-2.0	-105.39	372.40	7.89	-97.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)=C(Cl)O1	REAL300000311778	0	34	-2.0	-100.91	344.35	7.08	-93.83
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(CN4C=NC=N4)C=C3)C=C2)CC1	REAL300000311779	1	44	-2.0	-107.13	390.33	9.98	-97.15
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(CN4C=NC=N4)C=C3)C=C2C1	REAL300000311780	1	44	-2.0	-110.26	389.65	9.99	-100.27
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CN3C=NC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000311781	0	40	-2.0	-106.60	366.33	8.09	-98.51
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(C)C)=C1	REAL300000311784	1	46	-2.0	-110.75	384.31	8.97	-101.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)C)C=C1C(C)C	REAL300000311785	0	50	-2.0	-116.76	412.45	8.77	-107.99
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(C)C)=C1	REAL300000311788	0	46	-2.0	-106.35	397.38	9.54	-96.81
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(C)C)=C1	REAL300000311789	1	46	-2.0	-106.35	396.81	9.37	-96.98
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(C)C)=C1	REAL300000311791	0	46	-2.0	-108.45	389.77	9.04	-99.41
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(C)C)=C1	REAL300000311792	1	52	-2.0	-96.03	427.88	10.56	-85.47
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(C)C)=C1	REAL300000311793	0	43	-2.0	-104.78	377.50	7.99	-96.79
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(C)C)=C1	REAL300000311796	1	47	-2.0	-108.90	390.96	8.32	-100.58
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2C(C)C)=C1	REAL300000311798	0	46	-2.0	-100.69	393.44	8.66	-92.03
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(C)C)=C1	REAL300000311800	1	43	-2.0	-106.25	375.96	8.01	-98.24
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000311803	0	46	-2.0	-104.32	387.31	8.12	-96.20
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2C(C)C)=C1	REAL300000311804	0	50	-2.0	-111.16	413.27	8.06	-103.10
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)C)C=C1C(C)C	REAL300000311805	1	49	-2.0	-101.93	405.02	9.79	-92.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2C(C)C)C=C(C(=O)[O-])S1	REAL300000311806	1	46	-2.0	-107.95	392.93	8.87	-99.08
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(C)C)=C1	REAL300000311807	1	46	-2.0	-94.86	397.36	9.54	-85.32
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(C)C)=C1	REAL300000311808	1	46	-2.0	-96.75	388.84	9.02	-87.73
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(C)C)=C1	REAL300000311809	0	43	-2.0	-99.39	376.57	8.09	-91.30
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(C)C)=C1	REAL300000311810	1	46	-2.0	-101.31	390.72	9.03	-92.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2C(C)C)=C1F	REAL300000311811	0	49	-2.0	-110.00	410.06	9.68	-100.32
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(C)C)=C1	REAL300000311812	0	46	-2.0	-97.12	389.77	9.05	-88.07
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(C)C)=C1	REAL300000311814	1	46	-2.0	-99.09	395.13	9.07	-90.02
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(C)C)=C1	REAL300000311815	0	47	-2.0	-110.74	394.02	6.68	-104.06
CC(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(C)C)=C1	REAL300000311815	1	47	-2.0	-106.57	384.42	7.43	-99.14
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(C)C)=C1	REAL300000311816	1	49	-2.0	-101.50	406.47	9.75	-91.75
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(C)C)=C1	REAL300000311821	0	46	-2.0	-99.75	396.04	9.10	-90.65
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2C(C)C)C=C1C(=O)[O-]	REAL300000311823	0	49	-2.0	-110.87	409.62	9.66	-101.21
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2C(C)C)=C1	REAL300000311824	0	49	-2.0	-115.51	409.34	9.67	-105.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2C(C)C)C=C1C(=O)[O-]	REAL300000311826	1	50	-2.0	-110.28	412.33	9.20	-101.08
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(C)C)=C1	REAL300000311829	0	46	-2.0	-114.58	387.94	9.00	-105.58
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2C(C)C)C=C1C(=O)[O-]	REAL300000311830	1	49	-2.0	-102.23	405.47	9.55	-92.68
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(C)C)=C1	REAL300000311831	0	45	-2.0	-108.70	380.52	7.09	-101.61
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)C)C=C1C(C)C	REAL300000311832	0	50	-2.0	-102.00	412.51	8.77	-93.23
CC(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(C)C)=C1	REAL300000311833	0	43	-2.0	-98.00	384.41	7.95	-90.05
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000311834	0	49	-2.0	-104.01	405.37	8.92	-95.09
CNC(=O)C1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000311835	0	43	-2.0	-107.26	378.17	2.83	-104.43
CNC(=O)C1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000311836	0	43	-2.0	-120.18	378.19	2.82	-117.36
CNC(=O)C1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000311837	0	44	-2.0	-118.59	384.84	2.17	-116.42
CNC(=O)C1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000311838	0	43	-2.0	-112.82	381.20	1.97	-110.85
CNC(=O)C1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000311839	0	42	-2.0	-115.80	375.16	0.88	-114.92
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000311840	1	45	-2.0	-89.60	394.97	4.62	-84.98
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000311841	1	38	-2.0	-106.01	343.06	6.06	-99.95
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000311842	0	46	-2.0	-106.71	398.13	7.12	-99.59
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000311843	1	38	-2.0	-96.04	338.49	6.04	-90.00
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000311844	1	38	-2.0	-108.63	338.51	6.03	-102.60
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000311845	0	42	-2.0	-113.64	366.66	5.83	-107.81
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000311846	1	42	-2.0	-95.52	369.96	7.33	-88.19
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000311847	1	41	-2.0	-109.72	354.53	6.56	-103.16
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000311848	0	38	-2.0	-103.68	351.58	6.60	-97.08
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000311849	1	38	-2.0	-104.37	351.03	6.42	-97.95
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000311850	1	44	-2.0	-110.98	371.19	7.38	-103.60
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000311851	0	38	-2.0	-105.42	343.99	6.09	-99.33
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000311852	1	44	-2.0	-94.69	382.08	7.62	-87.07
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000311853	0	35	-2.0	-102.74	331.69	5.04	-97.70
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000311854	1	41	-2.0	-108.92	353.94	6.81	-102.11
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000311855	1	42	-2.0	-94.19	369.59	6.32	-87.87
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000311856	0	39	-2.0	-106.97	345.15	5.38	-101.59
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000311858	0	38	-2.0	-98.91	347.63	5.72	-93.19
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000311859	1	44	-2.0	-110.45	369.58	7.38	-103.07
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000311860	0	35	-2.0	-104.25	330.16	5.06	-99.19
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000311861	1	46	-2.0	-109.03	396.83	5.84	-103.19
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000311862	1	42	-2.0	-114.44	365.80	6.10	-108.34
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000311863	1	48	-2.0	-112.84	393.77	8.64	-104.20
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000311864	1	47	-2.0	-111.13	392.41	8.03	-103.10
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000311865	1	44	-2.0	-107.11	368.66	7.75	-99.36
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000311866	0	45	-2.0	-114.70	388.94	6.60	-108.10
CCCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000311867	0	41	-2.0	-108.47	373.45	6.47	-102.00
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000311867	1	40	-3.0	-184.13	366.92	6.59	-177.54
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000311868	1	45	-2.0	-113.06	382.76	7.93	-105.13
CCCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000311869	0	38	-2.0	-101.90	341.52	5.18	-96.72
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000311870	1	44	-2.0	-113.36	380.69	5.80	-107.56
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000311871	0	42	-2.0	-109.86	367.50	5.12	-104.74
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000311872	1	46	-2.0	-95.58	392.15	6.64	-88.94
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000311873	0	38	-2.0	-100.39	356.11	6.62	-93.77
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000311874	1	42	-2.0	-92.70	385.61	6.85	-85.85
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000311875	1	45	-2.0	-94.74	389.67	7.01	-87.73
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000311876	1	41	-2.0	-99.41	359.22	6.85	-92.56
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000311877	1	42	-2.0	-93.72	375.81	6.38	-87.34
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)=C1	REAL300000311878	1	45	-2.0	-115.07	387.65	7.01	-108.06
CCCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000311879	0	38	-2.0	-105.31	347.11	5.92	-99.39
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000311880	0	38	-2.0	-93.52	351.56	6.59	-86.93
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000311881	1	38	-2.0	-95.50	343.04	6.07	-89.43
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000311882	0	35	-2.0	-97.64	330.78	5.16	-92.48
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000311883	1	38	-2.0	-99.37	344.92	6.09	-93.28
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000311884	0	41	-2.0	-106.83	364.27	6.73	-100.10
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000311885	0	42	-2.0	-98.21	378.83	6.66	-91.55
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000311886	0	38	-2.0	-95.53	343.98	6.10	-89.43
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000311887	1	38	-2.0	-93.51	351.01	6.43	-87.08
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000311888	1	41	-2.0	-101.10	367.96	7.23	-93.87
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000311889	1	46	-2.0	-92.37	402.26	7.44	-84.93
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000311890	1	38	-2.0	-97.47	349.33	6.12	-91.35
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000311891	0	40	-2.0	-93.44	366.71	6.69	-86.75
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000311892	0	39	-2.0	-107.52	348.23	3.73	-103.79
CCCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000311892	1	39	-2.0	-106.23	347.42	4.55	-101.68
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000311893	1	41	-2.0	-99.14	360.68	6.82	-92.32
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000311894	1	38	-2.0	-98.92	359.22	6.56	-92.36
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000311895	1	41	-2.0	-105.24	348.59	6.67	-98.57
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000311896	1	41	-2.0	-107.38	363.35	6.68	-100.70
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000311897	1	41	-2.0	-96.11	353.92	6.80	-89.31
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000311898	1	44	-2.0	-113.11	375.31	7.20	-105.91
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000311899	0	40	-2.0	-106.69	365.07	7.13	-99.56
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000311900	0	38	-2.0	-97.11	350.27	6.16	-90.95
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000311901	1	44	-2.0	-109.42	372.99	7.42	-102.00
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000311902	0	41	-2.0	-106.53	359.99	6.63	-99.90
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000311903	0	41	-2.0	-105.43	370.28	7.17	-98.26
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000311904	0	41	-2.0	-114.10	363.55	6.72	-107.38
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000311905	1	44	-2.0	-110.42	372.45	7.22	-103.20
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000311906	1	45	-2.0	-109.66	388.98	6.16	-103.50
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000311907	1	41	-2.0	-98.19	365.30	7.18	-91.01
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000311908	1	41	-2.0	-106.20	369.73	6.99	-99.21
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000311909	0	42	-2.0	-108.27	366.65	6.24	-102.03
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000311911	1	41	-2.0	-103.04	372.25	7.10	-95.94
CCCOC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000311912	0	47	-2.0	-105.10	387.98	8.16	-96.94
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000311913	0	42	-2.0	-109.23	378.84	6.66	-102.57
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000311914	1	41	-2.0	-96.18	354.52	6.57	-89.61
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000311915	0	43	-2.0	-101.83	381.78	8.22	-93.61
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000311916	1	41	-2.0	-106.17	358.47	6.85	-99.32
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000311917	0	40	-2.0	-116.58	362.26	7.89	-108.69
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000311918	0	38	-2.0	-113.36	342.13	6.06	-107.30
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000311919	1	41	-2.0	-101.19	363.45	6.71	-94.48
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000311920	1	44	-2.0	-116.89	379.55	8.15	-108.74
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000311921	0	37	-2.0	-106.25	334.73	4.15	-102.10
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000311922	0	42	-2.0	-100.28	366.71	5.84	-94.44
CCCOC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000311923	0	35	-2.0	-95.93	338.66	5.01	-90.92
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000311924	1	45	-2.0	-102.28	384.64	7.92	-94.36
CCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000311925	1	45	-2.0	-106.93	383.95	7.92	-99.01
CCCOC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000311926	0	41	-2.0	-101.63	360.64	6.03	-95.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)=CC=C1F	REAL300000311927	1	42	-2.0	-109.29	371.93	8.80	-100.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)C=C1	REAL300000311928	1	42	-2.0	-99.17	367.35	8.78	-90.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)=C1	REAL300000311929	1	42	-2.0	-112.09	367.39	8.76	-103.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)C=C1C(=O)[O-]	REAL300000311930	1	45	-2.0	-113.36	383.41	9.29	-104.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)=C1	REAL300000311931	0	42	-2.0	-109.14	372.87	8.83	-100.31
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)=C1	REAL300000311932	0	39	-2.0	-106.30	360.58	7.78	-98.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SC1CCCC1	REAL300000311933	1	45	-2.0	-112.67	381.67	9.50	-103.17
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)C=C1C(=O)[O-]	REAL300000311934	0	43	-2.0	-110.94	372.88	8.07	-102.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)=C1	REAL300000311935	0	42	-2.0	-102.92	375.38	8.41	-94.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)=CS1	REAL300000311936	0	39	-2.0	-107.65	359.04	7.80	-99.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)C=C(C(=O)[O-])O1	REAL300000311937	0	42	-2.0	-105.11	370.40	7.90	-97.21
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)C=C(C(=O)[O-])S1	REAL300000311938	0	42	-2.0	-108.51	376.02	8.66	-99.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)C=C1F	REAL300000311939	0	42	-2.0	-98.54	371.91	8.81	-89.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)S1	REAL300000311940	0	39	-2.0	-101.08	359.65	7.90	-93.18
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)=C1	REAL300000311941	0	42	-2.0	-103.57	372.64	8.79	-94.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)C(F)=C1	REAL300000311942	0	42	-2.0	-98.85	372.86	8.84	-90.01
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)=C1	REAL300000311943	0	43	-2.0	-111.16	375.97	6.44	-104.72
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)C=C1	REAL300000311944	1	45	-2.0	-102.94	388.41	9.49	-93.45
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SC1CCCC1	REAL300000311945	1	45	-2.0	-108.57	377.43	9.39	-99.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SC1CCCC1	REAL300000311946	1	45	-2.0	-98.91	382.81	9.54	-89.37
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)C=C1C(=O)[O-]	REAL300000311947	0	46	-2.0	-111.62	395.41	8.98	-102.64
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)=CC=C1C(=O)[O-]	REAL300000311948	1	45	-2.0	-101.46	386.29	9.37	-92.09
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)=C1F	REAL300000311949	0	42	-2.0	-117.68	369.87	8.75	-108.93
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)=C1	REAL300000311950	0	41	-2.0	-110.27	363.60	6.88	-103.39
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2CCCC2)C=C(C(=O)[O-])O1	REAL300000311951	0	45	-2.0	-105.02	388.36	8.71	-96.31
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000311952	1	37	-2.0	-106.28	341.17	7.56	-98.72
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000311953	1	37	-2.0	-95.86	336.61	7.54	-88.32
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000311954	1	37	-2.0	-107.23	336.61	7.53	-99.70
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=CN2C)=C1	REAL300000311955	0	41	-2.0	-123.53	364.69	7.33	-116.20
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000311956	1	41	-2.0	-95.97	368.08	8.82	-87.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)C=C1C(=O)[O-]	REAL300000311957	1	40	-2.0	-109.46	352.40	8.07	-101.39
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000311958	0	37	-2.0	-113.63	349.63	8.11	-105.52
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000311959	1	37	-2.0	-104.43	349.14	7.92	-96.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)=C1C	REAL300000311960	1	43	-2.0	-120.97	369.24	8.89	-112.08
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000311961	0	37	-2.0	-115.47	342.04	7.60	-107.87
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000311962	1	43	-2.0	-95.17	380.19	9.12	-86.05
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000311963	0	34	-2.0	-113.56	329.74	6.55	-107.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=CN2C)=C1	REAL300000311964	1	40	-2.0	-118.84	351.99	8.33	-110.51
CN1C=NN=C1C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1	REAL300000311966	0	38	-2.0	-105.85	343.26	6.86	-98.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)=C1	REAL300000311968	0	37	-2.0	-109.22	345.67	7.22	-102.00
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000311970	0	34	-2.0	-115.13	327.87	6.57	-108.56
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=CN2C)=C1	REAL300000311972	1	43	-2.0	-116.70	366.70	9.26	-107.44
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000311973	1	44	-2.0	-122.02	380.84	9.43	-112.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)C=C(C(=O)[O-])O1	REAL300000311974	0	37	-2.0	-111.61	339.59	6.67	-104.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)=C1	REAL300000311975	0	41	-2.0	-120.84	365.56	6.62	-114.22
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=CN2C)=C1	REAL300000311976	1	40	-2.0	-109.54	357.27	8.36	-101.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)C=C(C(=O)[O-])S1	REAL300000311977	0	37	-2.0	-115.22	346.25	7.43	-107.79
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000311978	0	37	-2.0	-103.99	349.65	8.10	-95.89
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000311979	1	37	-2.0	-95.40	341.13	7.57	-87.83
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000311980	0	34	-2.0	-108.29	328.86	6.67	-101.62
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000311981	1	37	-2.0	-98.43	343.02	7.59	-90.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)=C1F	REAL300000311982	0	40	-2.0	-116.92	362.33	8.24	-108.68
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000311983	0	37	-2.0	-106.21	342.06	7.61	-98.60
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000311984	1	37	-2.0	-93.37	349.11	7.93	-85.44
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000311985	1	37	-2.0	-97.80	347.44	7.62	-90.18
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000311986	0	38	-2.0	-117.10	346.26	5.26	-111.84
CN1C=NN=C1C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000311986	1	38	-2.0	-115.65	335.33	6.14	-109.51
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000311987	1	40	-2.0	-99.76	358.80	8.31	-91.45
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=CN2C)=C1	REAL300000311988	1	40	-2.0	-116.02	346.21	8.18	-107.84
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)=CC(C(=O)[O-])=C1F	REAL300000311989	1	40	-2.0	-106.13	361.46	8.18	-97.95
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)=CC(C(=O)[O-])=C1C	REAL300000311991	1	43	-2.0	-111.36	369.24	8.62	-102.74
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000311992	0	37	-2.0	-106.98	348.35	7.66	-99.32
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)C=C1C(=O)[O-]	REAL300000311994	0	40	-2.0	-118.13	361.44	8.24	-109.89
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)=C1	REAL300000311995	0	40	-2.0	-124.71	361.59	8.23	-116.48
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)C=C1C(=O)[O-]	REAL300000311996	1	43	-2.0	-121.42	370.23	8.73	-112.69
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)C=C1C(=O)[O-]	REAL300000311997	0	41	-2.0	-106.99	364.62	7.74	-99.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)=CC=C1C(=O)[O-]	REAL300000311998	1	40	-2.0	-106.79	352.19	8.09	-98.70
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=CN2C)=C1	REAL300000311999	1	40	-2.0	-116.49	356.09	8.37	-108.12
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000312000	0	37	-2.0	-123.91	340.22	7.57	-116.34
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)C=C1C(=O)[O-]	REAL300000312001	1	40	-2.0	-112.03	361.53	8.21	-103.82
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000312002	0	36	-2.0	-114.70	333.53	5.59	-109.11
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=CN2C)=C1	REAL300000312003	0	41	-2.0	-110.66	364.76	7.33	-103.33
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000312004	0	34	-2.0	-106.01	336.75	6.52	-99.49
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000312005	1	44	-2.0	-112.49	382.68	9.42	-103.07
CN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000312006	1	44	-2.0	-118.18	381.66	9.43	-108.75
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3C)=C2)C=C(C(=O)[O-])O1	REAL300000312007	0	40	-2.0	-111.15	358.72	7.52	-103.63
CN(C)C(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000312011	1	35	-2.0	-113.71	346.39	4.44	-109.27
CN(C)C(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000312016	1	35	-2.0	-108.59	345.00	4.55	-104.04
CN(C)C(=O)C1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000312017	0	39	-2.0	-114.67	361.58	4.02	-110.65
CN(C)C(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000312023	0	37	-2.0	-118.26	350.55	3.46	-114.80
CC1=CC(F)=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000312045	0	41	-2.0	-120.20	353.93	8.67	-111.53
CC1=CC(F)=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000312063	0	39	-2.0	-120.33	331.06	6.40	-113.93
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3N=C4CCCN4C(=O)C3=C2)=C1	REAL300000312096	0	37	-2.0	-111.12	350.79	5.32	-105.80
CN1C=C(S(=O)(=O)[N-]C2=CC=C3N=C4CCCN4C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000312098	0	41	-2.0	-115.32	364.26	5.65	-109.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C4CCCN4C(=O)C3=C2)=CS1	REAL300000312099	0	37	-2.0	-112.64	349.26	5.34	-107.30
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C4CCCN4C(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000312100	0	40	-2.0	-109.91	360.62	5.44	-104.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C4CCCN4C(=O)C3=C2)S1	REAL300000312101	0	37	-2.0	-106.13	349.88	5.43	-100.70
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3N=C4CCCN4C(=O)C3=C2)=C1	REAL300000312106	0	39	-2.0	-112.62	354.59	4.35	-108.27
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000312107	1	42	-2.0	-116.13	381.71	4.73	-111.40
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000312108	1	42	-2.0	-106.09	377.15	4.71	-101.38
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000312109	1	42	-2.0	-118.65	377.16	4.70	-113.95
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000312110	1	45	-2.0	-119.90	393.18	5.23	-114.67
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000312111	0	42	-2.0	-115.19	382.64	4.76	-110.43
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000312112	0	39	-2.0	-112.86	370.35	3.71	-109.15
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000312113	1	45	-2.0	-118.30	392.60	5.48	-112.82
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000312114	0	43	-2.0	-117.11	383.81	4.05	-113.06
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000312115	0	42	-2.0	-109.08	386.27	4.38	-104.70
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000312116	0	39	-2.0	-114.36	368.81	3.73	-110.63
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000312117	0	42	-2.0	-111.70	380.17	3.83	-107.87
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000312118	0	42	-2.0	-114.71	386.86	4.58	-110.13
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000312119	1	42	-2.0	-105.59	381.69	4.74	-100.85
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000312120	0	39	-2.0	-107.82	369.44	3.82	-104.00
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000312121	1	42	-2.0	-109.48	383.58	4.75	-104.73
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000312122	0	42	-2.0	-105.76	382.63	4.77	-100.99
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000312123	0	43	-2.0	-116.83	386.86	2.41	-114.42
CCNC(=O)COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000312123	1	43	-2.0	-115.97	385.97	3.28	-112.69
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000312124	1	45	-2.0	-108.88	399.35	5.47	-103.41
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000312125	1	45	-2.0	-115.82	387.23	5.34	-110.48
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000312126	1	45	-2.0	-105.99	392.58	5.47	-100.52
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000312127	0	46	-2.0	-118.40	405.30	4.91	-113.49
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000312128	1	45	-2.0	-106.31	393.17	5.24	-101.07
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000312129	0	42	-2.0	-124.09	380.82	4.73	-119.36
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000312130	0	41	-2.0	-114.52	374.15	2.75	-111.77
CCNC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000312131	0	45	-2.0	-111.36	399.30	4.68	-106.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=CC=C1	REAL300000312134	1	36	-2.0	-105.52	325.54	4.18	-101.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCC2=C1	REAL300000312135	0	40	-2.0	-111.29	353.69	3.99	-107.30
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C=C1	REAL300000312136	1	40	-2.0	-93.12	356.99	5.49	-87.63
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000312138	0	36	-2.0	-101.54	338.61	4.76	-96.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=CC=C1Cl	REAL300000312139	1	36	-2.0	-101.28	338.05	4.58	-96.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1C	REAL300000312140	1	42	-2.0	-109.20	358.22	5.55	-103.65
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000312141	0	36	-2.0	-102.98	331.02	4.25	-98.73
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C=C1	REAL300000312142	1	42	-2.0	-92.32	369.13	5.78	-86.54
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000312143	0	33	-2.0	-100.02	318.73	3.19	-96.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCC2=C1	REAL300000312144	1	39	-2.0	-107.08	340.97	4.96	-102.12
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000312146	1	37	-2.0	-103.97	332.19	3.54	-100.43
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000312148	0	36	-2.0	-96.08	334.65	3.88	-92.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=CS1	REAL300000312150	0	33	-2.0	-101.24	317.19	3.21	-98.03
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCC2=C1	REAL300000312152	1	45	-2.0	-109.08	379.44	6.20	-102.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCC2=C1	REAL300000312153	1	42	-2.0	-105.64	355.67	5.91	-99.73
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCC2=C1	REAL300000312154	0	43	-2.0	-111.10	375.97	4.76	-106.34
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3NC(=O)CCC3=C2)=CC(C(=O)[O-])=C1	REAL300000312155	0	39	-2.0	-110.18	356.41	4.75	-105.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=CC(C(=O)[O-])=C1	REAL300000312155	1	38	-3.0	-179.57	353.90	4.75	-174.82
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000312156	1	43	-2.0	-111.14	369.79	6.09	-105.05
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C=C(C(=O)[O-])O1	REAL300000312157	0	36	-2.0	-100.19	328.55	3.33	-96.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000312158	0	40	-2.0	-106.23	354.53	3.27	-102.96
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000312159	0	36	-2.0	-98.45	343.14	4.77	-93.68
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCC2=C1	REAL300000312161	1	39	-2.0	-97.65	346.25	5.00	-92.65
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C=C1F	REAL300000312162	1	40	-2.0	-91.35	362.83	4.54	-86.81
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C=C(C(=O)[O-])S1	REAL300000312164	1	36	-2.0	-103.57	334.15	4.08	-99.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C(Cl)=C1	REAL300000312165	0	36	-2.0	-90.95	338.60	4.74	-86.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C=C1F	REAL300000312166	1	36	-2.0	-93.02	330.06	4.23	-88.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)S1	REAL300000312167	0	33	-2.0	-94.95	317.81	3.31	-91.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=CC(F)=C1	REAL300000312168	1	36	-2.0	-96.58	331.90	4.25	-92.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1F	REAL300000312169	0	39	-2.0	-104.35	351.30	4.87	-99.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C(F)=C1	REAL300000312170	0	36	-2.0	-92.57	331.01	4.25	-88.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C=C1Cl	REAL300000312171	1	36	-2.0	-91.05	338.03	4.59	-86.46
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCC2=C1	REAL300000312172	1	39	-2.0	-99.36	354.99	5.39	-93.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=CC(F)=C1F	REAL300000312173	1	36	-2.0	-94.67	336.38	4.29	-90.38
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000312174	1	38	-2.0	-90.65	353.75	4.87	-85.78
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000312175	0	37	-2.0	-106.14	335.26	1.90	-104.24
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000312175	1	37	-2.0	-103.26	324.28	2.78	-100.48
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C=C1	REAL300000312176	1	39	-2.0	-97.05	347.73	4.98	-92.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=CC(Cl)=C1F	REAL300000312177	1	36	-2.0	-96.12	346.26	4.71	-91.41
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCC2=C1	REAL300000312178	1	39	-2.0	-101.18	335.58	4.83	-96.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000312182	0	38	-2.0	-103.95	352.10	5.27	-98.68
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000312183	0	36	-2.0	-94.64	337.30	4.31	-90.33
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000312185	0	39	-2.0	-104.03	347.02	4.78	-99.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1Cl	REAL300000312186	0	39	-2.0	-103.29	357.33	5.32	-97.97
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000312187	0	39	-2.0	-109.49	350.58	4.87	-104.62
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCC2=C1	REAL300000312190	1	39	-2.0	-94.72	351.81	5.39	-89.33
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000312191	1	39	-2.0	-103.25	356.72	5.14	-98.11
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000312192	1	40	-2.0	-105.27	353.57	4.39	-100.88
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000312193	1	39	-2.0	-99.84	359.24	5.25	-94.59
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=CC=C1	REAL300000312196	0	38	-2.0	-111.71	349.28	6.03	-105.68
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=CC=C1	REAL300000312197	0	36	-2.0	-108.78	329.16	4.21	-104.57
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000312198	1	39	-2.0	-98.07	350.44	4.86	-93.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=CC2=CC=CC=C21	REAL300000312199	1	42	-2.0	-113.45	366.59	6.32	-107.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000312200	0	35	-2.0	-103.25	322.54	2.25	-101.00
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCC2=C1	REAL300000312201	0	40	-2.0	-97.51	353.75	3.99	-93.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)=C(Cl)O1	REAL300000312202	0	33	-2.0	-93.83	325.69	3.17	-90.66
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4NC(=O)CCC4=C3)C=C2)CC1	REAL300000312203	1	43	-2.0	-100.06	371.67	6.08	-93.98
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4NC(=O)CCC4=C3)C=C2C1	REAL300000312204	1	43	-2.0	-102.50	370.99	6.08	-96.42
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCC3=C2)C=C(C(=O)[O-])O1	REAL300000312205	0	39	-2.0	-100.21	347.68	4.18	-96.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=CC=C1F	REAL300000312206	1	38	-2.0	-109.47	353.99	6.70	-102.77
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1	REAL300000312208	1	38	-2.0	-112.24	349.46	6.67	-105.57
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=CC=N2)=C1	REAL300000312209	0	42	-2.0	-121.73	377.61	6.45	-115.28
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C=C1	REAL300000312210	1	42	-2.0	-98.69	380.92	7.96	-90.73
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1	REAL300000312212	0	38	-2.0	-107.91	362.52	7.24	-100.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=CC=C1Cl	REAL300000312213	1	38	-2.0	-107.91	361.97	7.06	-100.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1C	REAL300000312214	1	44	-2.0	-118.76	382.14	8.00	-110.76
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1	REAL300000312215	0	38	-2.0	-109.58	354.92	6.73	-102.85
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C=C1	REAL300000312216	1	44	-2.0	-97.95	393.05	8.25	-89.70
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1	REAL300000312217	0	35	-2.0	-106.19	342.63	5.68	-100.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=CC=N2)=C1	REAL300000312218	1	41	-2.0	-116.64	364.89	7.45	-109.19
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000312220	1	39	-2.0	-110.38	356.11	6.00	-104.38
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1	REAL300000312222	0	38	-2.0	-107.75	358.57	6.33	-101.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=CS1	REAL300000312224	0	35	-2.0	-107.77	341.11	5.70	-102.07
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=CC=N2)=C1	REAL300000312226	1	47	-2.0	-118.81	403.36	8.66	-110.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=CC=N2)=C1	REAL300000312227	1	44	-2.0	-112.05	379.59	8.39	-103.66
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1	REAL300000312228	1	45	-2.0	-117.86	393.71	8.56	-109.30
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000312229	0	38	-2.0	-105.99	352.47	5.80	-100.19
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1	REAL300000312230	0	42	-2.0	-112.08	378.45	5.75	-106.33
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=CC=N2)=C1	REAL300000312231	1	41	-2.0	-107.19	370.17	7.48	-99.71
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C=C(C(=O)[O-])S1	REAL300000312232	1	38	-2.0	-112.90	359.16	6.54	-106.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C(Cl)=C1	REAL300000312233	0	38	-2.0	-96.29	362.51	7.23	-89.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C=C1F	REAL300000312234	1	38	-2.0	-98.36	353.97	6.71	-91.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)S1	REAL300000312235	0	35	-2.0	-106.43	341.73	5.79	-100.64
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1	REAL300000312236	1	38	-2.0	-102.76	355.87	6.73	-96.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1F	REAL300000312237	0	41	-2.0	-111.01	375.22	7.37	-103.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C(F)=C1	REAL300000312238	0	38	-2.0	-98.04	354.92	6.74	-91.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C=C1Cl	REAL300000312239	1	38	-2.0	-96.47	361.96	7.07	-89.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=CC(F)=C1F	REAL300000312240	1	38	-2.0	-99.88	360.28	6.76	-93.12
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1	REAL300000312241	0	39	-2.0	-115.34	359.17	4.37	-110.97
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(CN3C=CC=N3)=C2)=C1	REAL300000312241	1	39	-2.0	-110.72	358.26	5.25	-105.47
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C=C1	REAL300000312242	1	41	-2.0	-102.92	371.65	7.44	-95.48
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=CC=N2)=C1	REAL300000312243	1	41	-2.0	-114.77	359.53	7.31	-107.46
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=CC(C(=O)[O-])=C1F	REAL300000312244	1	41	-2.0	-110.94	374.29	7.32	-103.62
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1	REAL300000312247	0	38	-2.0	-100.78	361.22	6.79	-93.99
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000312249	0	41	-2.0	-116.30	374.78	7.35	-108.95
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1	REAL300000312250	0	41	-2.0	-124.32	374.50	7.36	-116.96
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000312251	1	44	-2.0	-114.22	383.40	7.85	-106.37
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000312252	1	42	-2.0	-111.70	377.48	6.87	-104.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1F	REAL300000312255	0	38	-2.0	-123.44	353.08	6.68	-116.76
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000312256	1	41	-2.0	-103.71	374.40	7.34	-96.37
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C1	REAL300000312257	0	37	-2.0	-114.22	346.45	4.71	-109.51
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=CC=N2)=C1	REAL300000312258	0	42	-2.0	-108.63	377.67	6.46	-102.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)=C(Cl)O1	REAL300000312259	0	35	-2.0	-104.01	349.61	5.64	-98.37
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CN4C=CC=N4)=C3)C=C2)CC1	REAL300000312260	1	45	-2.0	-106.17	395.59	8.55	-97.62
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CN4C=CC=N4)=C3)C=C2C1	REAL300000312261	1	45	-2.0	-109.02	394.90	8.55	-100.47
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000312262	0	41	-2.0	-105.92	371.59	6.65	-99.27
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C	REAL300000312263	1	45	-2.0	-88.50	391.87	4.49	-84.01
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC)=C1C	REAL300000312265	0	46	-2.0	-106.03	397.37	7.08	-98.95
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000312267	1	38	-2.0	-107.79	337.75	5.99	-101.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC)=C1C	REAL300000312268	0	42	-2.0	-113.15	365.89	5.79	-107.36
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C	REAL300000312269	1	42	-2.0	-94.57	366.85	7.20	-87.37
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C	REAL300000312271	0	38	-2.0	-103.18	350.82	6.56	-96.62
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000312272	1	38	-2.0	-102.99	347.95	6.30	-96.69
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C	REAL300000312273	1	44	-2.0	-109.71	370.86	7.33	-102.38
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000312274	0	38	-2.0	-104.90	343.22	6.05	-98.85
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300000312275	1	44	-2.0	-93.76	378.98	7.50	-86.26
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000312276	0	35	-2.0	-101.49	328.58	4.92	-96.57
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000312277	1	41	-2.0	-107.98	350.82	6.69	-101.29
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000312279	1	39	-2.0	-105.68	342.04	5.25	-100.43
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000312281	0	38	-2.0	-98.05	344.50	5.59	-92.46
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000312283	0	35	-2.0	-103.40	329.39	5.02	-98.38
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(OC)=C2C)=CC(C(=O)[O-])=C1OC	REAL300000312284	1	46	-2.0	-108.21	396.07	5.80	-102.41
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C	REAL300000312286	1	48	-2.0	-111.92	390.62	8.54	-103.38
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C	REAL300000312287	1	47	-2.0	-110.22	389.29	7.93	-102.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC)=C1C	REAL300000312288	1	44	-2.0	-106.14	365.03	7.62	-98.52
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC)=C1C	REAL300000312289	0	45	-2.0	-113.84	388.18	6.56	-107.28
COC1=C(C)C=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000312290	0	41	-2.0	-109.89	362.31	6.41	-103.48
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000312290	1	40	-3.0	-182.96	366.15	6.56	-176.40
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C	REAL300000312291	1	45	-2.0	-112.16	382.00	7.89	-104.27
COC1=C(C)C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000312292	0	38	-2.0	-101.10	338.40	5.04	-96.06
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C	REAL300000312293	1	44	-2.0	-112.52	379.91	5.76	-106.76
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C	REAL300000312294	0	42	-2.0	-108.56	366.72	5.08	-103.48
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1C	REAL300000312296	0	38	-2.0	-99.44	352.98	6.50	-92.94
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C	REAL300000312299	1	41	-2.0	-98.47	358.48	6.82	-91.65
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C	REAL300000312300	1	42	-2.0	-92.69	372.74	6.26	-86.43
COC1=C(C)C=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000312302	1	38	-2.0	-104.28	345.08	5.79	-98.49
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000312303	0	38	-2.0	-92.46	350.81	6.55	-85.91
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000312304	1	38	-2.0	-94.49	339.96	5.95	-88.54
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000312305	0	35	-2.0	-96.74	327.65	5.04	-91.70
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000312306	1	38	-2.0	-97.98	344.15	6.06	-91.92
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C	REAL300000312307	0	41	-2.0	-105.97	363.50	6.69	-99.28
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(OC)=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000312308	0	42	-2.0	-97.17	375.70	6.53	-90.64
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000312309	0	38	-2.0	-94.48	343.22	6.06	-88.42
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000312310	1	38	-2.0	-92.50	347.93	6.31	-86.19
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1C	REAL300000312311	1	41	-2.0	-100.13	367.21	7.20	-92.93
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C	REAL300000312312	1	46	-2.0	-91.26	399.14	7.32	-83.94
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000312313	1	38	-2.0	-96.64	348.56	6.08	-90.56
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C	REAL300000312314	1	40	-2.0	-92.17	365.94	6.66	-85.51
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000312315	0	39	-2.0	-106.94	345.09	3.62	-103.32
COC1=C(C)C=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C	REAL300000312315	1	39	-2.0	-104.55	342.52	4.46	-100.09
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000312316	1	41	-2.0	-98.53	357.58	6.69	-91.84
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000312317	1	38	-2.0	-98.09	358.45	6.52	-91.57
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000312318	1	41	-2.0	-103.86	345.43	6.53	-97.33
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300000312322	0	40	-2.0	-105.28	362.00	7.01	-98.27
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C	REAL300000312323	0	38	-2.0	-96.19	349.49	6.12	-90.07
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C	REAL300000312325	0	41	-2.0	-106.90	360.71	6.60	-100.30
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1C	REAL300000312326	0	41	-2.0	-104.52	369.54	7.13	-97.39
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C	REAL300000312327	0	41	-2.0	-112.74	362.79	6.68	-106.06
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1C	REAL300000312330	1	41	-2.0	-96.95	364.54	7.14	-89.81
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000312331	1	41	-2.0	-104.61	368.97	6.95	-97.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC)=C2C)C=C1C(=O)[O-]	REAL300000312332	1	42	-2.0	-106.87	363.34	6.11	-100.76
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000312334	1	41	-2.0	-101.03	367.61	6.96	-94.07
COC1=C(C)C=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1C	REAL300000312335	1	47	-2.0	-103.91	384.83	8.04	-95.87
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC)=C2C)C=C1C(=O)[O-]	REAL300000312336	1	42	-2.0	-108.80	378.07	6.62	-102.18
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1C	REAL300000312338	0	43	-2.0	-99.27	381.01	8.19	-91.08
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C	REAL300000312340	0	40	-2.0	-115.09	359.12	7.76	-107.33
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000312341	0	38	-2.0	-111.96	339.03	5.93	-106.03
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000312342	1	41	-2.0	-99.37	358.91	6.57	-92.80
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300000312343	1	44	-2.0	-116.14	376.43	8.03	-108.11
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000312344	0	37	-2.0	-105.36	333.96	4.12	-101.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC)=C1C	REAL300000312345	0	42	-2.0	-99.14	365.96	5.79	-93.35
COC1=C(C)C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C	REAL300000312346	0	35	-2.0	-95.05	335.49	4.88	-90.17
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C	REAL300000312347	1	45	-2.0	-101.30	381.58	7.80	-93.50
COC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C	REAL300000312348	1	45	-2.0	-104.13	381.83	7.86	-96.27
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC)=C2C)C=C(C(=O)[O-])O1	REAL300000312349	0	41	-2.0	-100.87	357.52	5.89	-94.98
CC1=CC(N2CCOCC2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000312354	0	44	-2.0	-106.65	375.12	4.65	-102.00
CC1=CC(N2CCOCC2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000312355	0	41	-2.0	-103.20	362.83	3.60	-99.60
CC1=CC(N2CCOCC2)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000312357	1	45	-2.0	-107.31	376.28	3.93	-103.38
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C=C2C)=C1	REAL300000312358	0	44	-2.0	-99.26	378.75	4.27	-94.99
CC1=CC(N2CCOCC2)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000312359	1	41	-2.0	-104.57	361.28	3.62	-100.95
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C=C2C)C=C(C(=O)[O-])O1	REAL300000312360	0	44	-2.0	-103.06	372.65	3.72	-99.34
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C=C2C)C=C(C(=O)[O-])S1	REAL300000312361	1	44	-2.0	-106.70	378.27	4.48	-102.22
CC1=CC(N2CCOCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000312363	0	41	-2.0	-98.07	361.90	3.72	-94.35
CC1=CC(N2CCOCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000312365	0	44	-2.0	-95.67	375.10	4.66	-91.01
CC1=CC(N2CCOCC2)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000312366	0	45	-2.0	-106.31	373.49	3.17	-103.14
CC1=CC(N2CCOCC2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000312366	1	45	-2.0	-109.53	379.36	2.29	-107.24
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C=C2C)C=C1C(=O)[O-]	REAL300000312370	1	48	-2.0	-108.61	397.66	4.81	-103.80
CC1=CC(N2CCOCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000312372	0	44	-2.0	-112.61	373.27	4.61	-108.00
CC1=CC(N2CCOCC2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000312373	0	43	-2.0	-106.75	365.85	2.70	-104.05
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C=C2C)C=C(C(=O)[O-])O1	REAL300000312374	0	47	-2.0	-103.06	391.76	4.57	-98.49
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)=N1	REAL300000312375	1	39	-2.0	-111.61	358.84	6.69	-104.92
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=N1	REAL300000312376	1	39	-2.0	-101.50	354.27	6.66	-94.84
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000312377	1	39	-2.0	-114.15	354.28	6.66	-107.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=NC(C)=N2)=C1	REAL300000312378	0	43	-2.0	-119.03	382.36	6.45	-112.58
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)=N1	REAL300000312379	1	43	-2.0	-100.64	385.75	7.95	-92.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NC(C)=NC=C3)=CC=C2)C=C1C(=O)[O-]	REAL300000312380	1	42	-2.0	-115.51	370.30	7.19	-108.32
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=C2)=N1	REAL300000312381	1	45	-2.0	-116.27	386.90	8.01	-108.26
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)=N1	REAL300000312382	0	39	-2.0	-110.93	359.75	6.72	-104.21
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2)=N1	REAL300000312383	1	45	-2.0	-99.75	397.87	8.25	-91.50
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=N1	REAL300000312384	0	36	-2.0	-108.39	347.46	5.67	-102.72
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=NC(C)=NC=C2)=CC=C1	REAL300000312385	1	42	-2.0	-114.13	369.65	7.45	-106.68
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000312387	0	40	-2.0	-112.57	360.93	6.00	-106.57
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C3=NC(C)=NC=C3)=CC=C2)=C1	REAL300000312389	0	39	-2.0	-104.51	363.34	6.34	-98.17
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=N1	REAL300000312391	0	36	-2.0	-109.88	345.93	5.69	-104.19
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=NC(C)=N2)=C1	REAL300000312393	1	45	-2.0	-112.05	384.39	8.37	-103.68
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NC(C)=NC=C3)=CC=C2)C=C(C(=O)[O-])O1	REAL300000312394	0	39	-2.0	-107.27	357.29	5.79	-101.48
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=NC(C)=N3)=C2)=C1	REAL300000312395	0	43	-2.0	-115.55	383.26	5.74	-109.81
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NC(C)=NC=C3)=CC=C2)C=C(C(=O)[O-])S1	REAL300000312396	0	39	-2.0	-110.40	363.91	6.54	-103.86
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)=N1	REAL300000312397	1	39	-2.0	-100.93	358.81	6.70	-94.23
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=N1	REAL300000312398	0	36	-2.0	-103.30	346.55	5.79	-97.51
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000312399	1	39	-2.0	-104.95	360.69	6.72	-98.23
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)=N1	REAL300000312400	0	39	-2.0	-101.20	359.74	6.73	-94.47
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)=N1	REAL300000312401	0	40	-2.0	-112.61	363.92	4.38	-108.23
CC1=NC=CC(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)=N1	REAL300000312401	1	40	-2.0	-108.98	353.01	5.25	-103.73
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)=N1	REAL300000312402	1	42	-2.0	-104.49	376.47	7.44	-97.05
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)=N1	REAL300000312403	1	42	-2.0	-111.05	364.26	7.30	-103.75
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000312405	1	45	-2.0	-119.00	391.08	7.83	-111.17
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=NC(C)=N3)=C2)C=C1C(=O)[O-]	REAL300000312407	1	45	-2.0	-116.26	388.50	7.84	-108.42
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=NC(C)=N3)=C2)C=C1C(=O)[O-]	REAL300000312408	0	43	-2.0	-113.88	382.30	6.87	-107.01
CC1=CC(S(=O)(=O)[N-]C2=CC(C3=NC(C)=NC=C3)=CC=C2)=CC=C1C(=O)[O-]	REAL300000312409	1	42	-2.0	-101.74	370.28	7.20	-94.54
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)=N1	REAL300000312410	0	39	-2.0	-119.40	357.84	6.68	-112.72
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=N1	REAL300000312411	0	38	-2.0	-110.47	351.21	4.71	-105.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=NC(C)=N2)=C1	REAL300000312412	0	43	-2.0	-105.76	382.42	6.45	-99.31
CC1=NC=CC(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)=N1	REAL300000312413	0	36	-2.0	-101.35	354.42	5.64	-95.71
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=NC(C)=N3)=C2)C=C(C(=O)[O-])O1	REAL300000312414	0	42	-2.0	-106.82	376.41	6.64	-100.18
COC1=CC=NC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000312443	0	35	-2.0	-110.37	340.82	3.00	-107.37
COC1=CC=NC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000312471	0	33	-2.0	-105.96	311.51	1.45	-104.51
COC1=CC=NC(N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000312479	1	32	-2.0	-96.29	320.62	2.86	-93.43
COC1=CC=NC(N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=N1	REAL300000312491	1	32	-2.0	-95.16	334.46	3.29	-91.87
COC1=CC=NC(N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000312496	0	37	-2.0	-98.81	349.59	4.79	-94.02
COC1=CC=NC(N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000312498	1	34	-2.0	-114.47	332.60	4.58	-109.89
COC1=CC=NC(N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000312504	0	29	-2.0	-95.21	309.02	1.71	-93.50
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000312508	1	42	-2.0	-106.02	375.62	4.61	-101.41
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C2O1	REAL300000312509	1	42	-2.0	-96.25	371.07	4.59	-91.66
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000312510	1	42	-2.0	-108.38	371.09	4.58	-103.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(C(C)(C)C)=NC3=C2)C=C1C(=O)[O-]	REAL300000312511	1	45	-2.0	-110.83	391.16	5.23	-105.60
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2O1	REAL300000312512	0	42	-2.0	-104.93	376.56	4.64	-100.29
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2O1	REAL300000312513	0	39	-2.0	-102.65	364.27	3.60	-99.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C(C)(C)C)=NC2=C1	REAL300000312514	1	45	-2.0	-108.51	386.52	5.37	-103.14
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(C(C)(C)C)=NC3=C2)C=C1C(=O)[O-]	REAL300000312515	0	43	-2.0	-106.81	377.73	3.94	-102.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OC(C(C)(C)C)=NC3=C2)=C1	REAL300000312516	0	42	-2.0	-98.89	380.21	4.27	-94.62
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2O1	REAL300000312517	0	39	-2.0	-104.16	362.74	3.61	-100.55
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C(C)(C)C)=NC3=C2)C=C(C(=O)[O-])O1	REAL300000312518	0	42	-2.0	-101.86	374.10	3.73	-98.13
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C(C)(C)C)=NC3=C2)C=C(C(=O)[O-])S1	REAL300000312519	0	42	-2.0	-105.17	379.69	4.48	-100.69
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2O1	REAL300000312520	1	42	-2.0	-95.84	375.60	4.62	-91.22
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2O1	REAL300000312521	0	39	-2.0	-97.75	363.36	3.71	-94.04
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000312522	1	42	-2.0	-99.32	377.49	4.65	-94.67
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2O1	REAL300000312523	0	42	-2.0	-95.66	376.55	4.65	-91.01
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2O1	REAL300000312524	0	43	-2.0	-107.07	380.80	2.30	-104.77
CC(C)(C)C1=NC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2O1	REAL300000312524	1	43	-2.0	-107.70	380.02	3.10	-104.60
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2O1	REAL300000312525	1	45	-2.0	-98.96	393.25	5.37	-93.59
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2OC(C(C)(C)C)=NC2=C1	REAL300000312526	1	45	-2.0	-105.41	381.16	5.22	-100.19
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OC(C(C)(C)C)=NC2=C1	REAL300000312527	1	45	-2.0	-96.34	386.50	5.35	-90.99
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(C(C)(C)C)=NC3=C2)C=C1C(=O)[O-]	REAL300000312528	0	46	-2.0	-108.12	399.11	4.80	-103.32
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC(C(C)(C)C)=NC3=C2)=CC=C1C(=O)[O-]	REAL300000312529	1	45	-2.0	-96.26	387.09	5.13	-91.13
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2O1	REAL300000312530	0	42	-2.0	-113.32	374.75	4.62	-108.70
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2O1	REAL300000312531	0	41	-2.0	-105.89	367.31	2.72	-103.17
CC(C)(C)C1=NC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2O1	REAL300000312532	0	39	-2.0	-96.01	371.24	3.57	-92.44
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C(C)(C)C)=NC3=C2)C=C(C(=O)[O-])O1	REAL300000312533	0	45	-2.0	-101.58	393.22	4.58	-97.00
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C)=C1	REAL300000312534	1	41	-2.0	-114.32	370.67	7.51	-106.81
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000312535	1	41	-2.0	-105.04	366.25	7.48	-97.56
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000312536	0	41	-2.0	-117.49	366.14	7.47	-110.02
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C)=C1	REAL300000312537	0	45	-2.0	-103.38	397.71	8.77	-94.61
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000312538	1	44	-2.0	-118.65	382.58	8.02	-110.63
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000312539	1	47	-2.0	-121.04	398.66	8.77	-112.27
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1	REAL300000312540	0	41	-2.0	-116.05	371.74	7.55	-108.50
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000312541	0	47	-2.0	-103.04	409.70	9.07	-93.97
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000312542	0	38	-2.0	-113.34	359.45	6.49	-106.85
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000312543	1	44	-2.0	-118.87	381.70	8.25	-110.62
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000312544	0	42	-2.0	-117.50	372.86	6.82	-110.68
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000312545	0	41	-2.0	-108.11	375.37	7.16	-100.95
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000312546	1	47	-2.0	-120.40	397.78	8.79	-111.61
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000312547	0	38	-2.0	-113.12	357.79	6.50	-106.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=C(C)C=C1C	REAL300000312548	1	47	-2.0	-115.62	396.42	9.18	-106.44
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000312549	0	41	-2.0	-109.95	369.14	6.62	-103.33
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000312550	0	41	-2.0	-115.16	375.96	7.36	-107.80
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=C1	REAL300000312551	0	41	-2.0	-104.13	370.74	7.51	-96.62
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000312552	0	38	-2.0	-106.81	358.52	6.59	-100.22
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000312553	0	41	-2.0	-110.29	372.58	7.54	-102.75
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300000312554	0	41	-2.0	-105.21	371.64	7.55	-97.66
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1	REAL300000312555	0	42	-2.0	-117.00	375.98	5.19	-111.81
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000312556	0	44	-2.0	-108.60	388.30	8.27	-100.33
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000312557	1	44	-2.0	-115.92	374.23	8.09	-107.83
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000312558	1	44	-2.0	-104.69	381.68	8.25	-96.44
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000312559	1	47	-2.0	-123.48	399.08	8.54	-114.94
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000312560	1	47	-2.0	-118.26	399.56	8.86	-109.40
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=C(C)C=C2C)C=C1C(=O)[O-]	REAL300000312561	1	47	-2.0	-119.49	400.36	8.66	-110.83
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=C(C)C=C2C)C=C1C(=O)[O-]	REAL300000312562	0	45	-2.0	-118.85	394.23	7.68	-111.17
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000312563	1	44	-2.0	-105.34	381.88	8.00	-97.34
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000312564	0	41	-2.0	-122.05	369.90	7.50	-114.55
CC1=CC(C)=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000312565	0	40	-2.0	-115.13	363.20	5.53	-109.60
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000312566	0	38	-2.0	-104.76	366.24	6.45	-98.31
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=C(C)C=C2C)C=C(C(=O)[O-])O1	REAL300000312567	0	44	-2.0	-110.78	387.18	7.39	-103.39
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000312568	1	41	-2.0	-111.37	377.93	6.88	-104.49
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000312569	1	41	-2.0	-101.44	373.37	6.86	-94.58
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000312570	1	41	-2.0	-113.86	373.38	6.84	-107.02
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000312571	1	44	-2.0	-115.04	389.40	7.38	-107.66
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000312572	0	41	-2.0	-110.52	378.86	6.91	-103.61
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000312573	0	38	-2.0	-108.11	366.57	5.86	-102.25
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000312574	1	44	-2.0	-113.74	388.82	7.63	-106.11
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000312575	0	42	-2.0	-112.32	380.03	6.20	-106.12
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000312576	0	41	-2.0	-104.32	382.49	6.53	-97.79
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000312577	0	38	-2.0	-109.58	365.03	5.88	-103.70
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000312578	0	41	-2.0	-107.10	376.39	5.98	-101.12
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000312579	0	41	-2.0	-110.10	383.08	6.73	-103.37
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000312580	1	41	-2.0	-100.93	377.91	6.89	-94.04
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000312581	0	38	-2.0	-103.14	365.65	5.98	-97.16
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000312582	1	41	-2.0	-104.70	379.80	6.90	-97.80
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000312583	0	41	-2.0	-101.03	378.85	6.92	-94.11
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000312584	0	42	-2.0	-112.27	383.09	4.56	-107.71
CCOC(=O)COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000312584	1	42	-2.0	-111.81	382.19	5.43	-106.38
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000312585	1	44	-2.0	-104.24	395.57	7.63	-96.61
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000312586	1	44	-2.0	-110.92	383.45	7.48	-103.44
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000312587	1	44	-2.0	-101.37	388.80	7.62	-93.75
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000312588	0	45	-2.0	-113.56	401.52	7.06	-106.50
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000312589	1	44	-2.0	-101.60	389.39	7.39	-94.21
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000312590	0	41	-2.0	-119.05	377.04	6.88	-112.17
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000312591	0	40	-2.0	-109.84	370.37	4.90	-104.94
CCOC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000312592	0	44	-2.0	-106.82	395.52	6.83	-99.99
O=C([O-])C1=CC(S(=O)(=O)N(CCO)C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300000312621	0	38	-2.0	-110.19	349.91	4.60	-105.59
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CCO)C2=CC=CC=C2)=C1	REAL300000312650	0	36	-2.0	-108.74	322.96	2.75	-105.99
CNC(=O)C1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C2O1	REAL300000312702	0	41	-2.0	-109.72	360.42	3.67	-106.05
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000312711	1	40	-2.0	-106.40	359.08	8.37	-98.03
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000312712	1	40	-2.0	-95.98	354.50	8.34	-87.64
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000312713	1	40	-2.0	-107.46	354.59	8.34	-99.12
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000312714	1	44	-2.0	-96.06	385.98	9.63	-86.43
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000312715	1	43	-2.0	-109.66	370.42	8.87	-100.79
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000312716	0	40	-2.0	-105.42	360.06	8.41	-97.01
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000312717	0	37	-2.0	-102.06	347.77	7.36	-94.70
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000312718	1	43	-2.0	-109.21	370.01	9.13	-100.08
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000312719	0	41	-2.0	-106.04	361.17	7.68	-98.36
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000312720	0	40	-2.0	-98.93	363.71	8.03	-90.90
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000312721	0	37	-2.0	-104.50	346.24	7.38	-97.12
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000312722	0	40	-2.0	-102.25	357.60	7.48	-94.77
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000312723	0	40	-2.0	-105.76	363.19	8.23	-97.53
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000312724	1	40	-2.0	-95.45	359.04	8.38	-87.07
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000312725	0	37	-2.0	-97.70	346.85	7.47	-90.23
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000312726	1	40	-2.0	-98.59	361.00	8.41	-90.18
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000312727	0	40	-2.0	-95.34	360.05	8.41	-86.93
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000312728	0	41	-2.0	-108.42	364.30	6.06	-102.36
CCN1C=NN=C1C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000312728	1	41	-2.0	-108.79	353.32	6.94	-101.85
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000312729	1	43	-2.0	-99.93	376.69	9.12	-90.81
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000312730	1	43	-2.0	-104.28	364.86	8.98	-95.30
CCN1C=NN=C1C1=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=CC=C1	REAL300000312732	0	44	-2.0	-107.24	382.54	8.55	-98.69
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000312733	1	43	-2.0	-95.95	370.39	8.88	-87.07
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000312734	0	40	-2.0	-112.02	358.20	8.37	-103.65
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000312735	0	39	-2.0	-114.50	351.52	6.38	-108.12
CCN1C=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000312736	0	37	-2.0	-96.16	354.74	7.32	-88.84
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=CN3CC)=C2)C=C(C(=O)[O-])O1	REAL300000312737	0	43	-2.0	-102.12	376.72	8.33	-93.79
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)=CC=C2N1	REAL300000312738	1	42	-2.0	-94.34	375.50	4.21	-90.13
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312739	1	35	-2.0	-111.30	323.58	5.65	-105.65
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(C)=CC2=C1	REAL300000312740	0	43	-2.0	-112.01	378.66	6.70	-105.31
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C2N1	REAL300000312741	1	35	-2.0	-101.17	319.03	5.63	-95.54
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000312742	1	35	-2.0	-114.05	319.04	5.62	-108.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(C)=CC2=C1	REAL300000312743	0	39	-2.0	-119.35	347.18	5.42	-113.93
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C2N1	REAL300000312744	1	39	-2.0	-100.47	350.49	6.91	-93.56
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312745	1	38	-2.0	-115.34	335.06	6.15	-109.19
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C2N1	REAL300000312746	0	35	-2.0	-109.12	332.11	6.19	-102.93
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312747	1	35	-2.0	-109.74	331.56	6.01	-103.73
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C=C3Cl)=CC=C2N1	REAL300000312748	0	35	-2.0	-104.64	344.61	6.56	-98.08
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=CC=C2N1	REAL300000312749	1	41	-2.0	-116.63	351.72	6.96	-109.67
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2N1	REAL300000312750	0	35	-2.0	-111.02	324.52	5.68	-105.34
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C2N1	REAL300000312751	1	41	-2.0	-100.07	362.62	7.21	-92.86
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2N1	REAL300000312752	0	32	-2.0	-108.13	312.22	4.64	-103.49
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C2N1	REAL300000312753	1	38	-2.0	-114.38	334.47	6.40	-107.98
CC1=CC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312755	0	36	-2.0	-112.39	325.69	4.97	-107.42
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC=C2N1	REAL300000312757	0	35	-2.0	-104.15	328.15	5.30	-98.85
CC1=CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2N1	REAL300000312759	0	32	-2.0	-109.57	310.69	4.66	-104.91
COC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(C)=CC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000312760	1	43	-2.0	-114.16	377.35	5.43	-108.73
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)=CC=C2N1	REAL300000312762	1	45	-2.0	-118.41	374.30	8.23	-110.18
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)=CC=C2N1	REAL300000312763	1	44	-2.0	-116.63	372.95	7.63	-109.00
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(C)=CC2=C1	REAL300000312764	1	41	-2.0	-112.47	349.18	7.34	-105.13
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(C)=CC2=C1	REAL300000312765	0	42	-2.0	-118.88	369.47	6.18	-112.70
CC1=CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000312766	0	38	-2.0	-111.99	349.92	6.19	-105.80
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000312766	1	37	-3.0	-190.56	347.46	6.18	-184.38
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C2N1	REAL300000312767	1	42	-2.0	-118.77	363.29	7.52	-111.25
CC1=CC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000312768	0	35	-2.0	-107.20	322.08	4.75	-102.45
CC1=CC2=CC([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312769	1	41	-2.0	-118.87	361.21	5.39	-113.48
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC=C2N1	REAL300000312770	0	39	-2.0	-115.17	348.03	4.72	-110.45
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)=CC=C2N1	REAL300000312771	1	43	-2.0	-100.71	372.67	6.23	-94.48
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(Cl)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312772	1	35	-2.0	-103.31	346.72	6.47	-96.84
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=CC=C2N1	REAL300000312773	0	35	-2.0	-105.60	336.64	6.20	-99.40
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)=CC=C2N1	REAL300000312774	1	39	-2.0	-97.58	366.15	6.44	-91.14
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=CC=C2N1	REAL300000312776	1	38	-2.0	-104.78	339.75	6.43	-98.35
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=CC=C2N1	REAL300000312777	1	39	-2.0	-98.52	356.34	5.97	-92.55
CC1=CC2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C2N1	REAL300000312779	0	35	-2.0	-110.58	328.73	5.50	-105.08
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3Cl)=CC=C2N1	REAL300000312780	0	35	-2.0	-102.82	347.26	6.64	-96.18
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C2N1	REAL300000312781	0	35	-2.0	-98.64	332.09	6.18	-92.46
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2N1	REAL300000312782	1	35	-2.0	-100.48	323.56	5.66	-94.82
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2N1	REAL300000312783	0	32	-2.0	-102.89	311.30	4.75	-98.14
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000312784	1	35	-2.0	-104.67	325.45	5.68	-98.99
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=CC=C2N1	REAL300000312785	0	38	-2.0	-112.47	344.80	6.32	-106.15
COC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(C)=CC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000312786	0	39	-2.0	-103.27	359.35	6.24	-97.03
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2N1	REAL300000312787	0	35	-2.0	-100.71	324.50	5.69	-95.02
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C2N1	REAL300000312788	1	35	-2.0	-98.63	331.54	6.02	-92.61
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)=CC=C2N1	REAL300000312789	1	38	-2.0	-106.52	348.48	6.82	-99.70
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)=CC=C2N1	REAL300000312790	1	43	-2.0	-97.11	382.78	7.03	-90.08
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312791	1	35	-2.0	-102.62	329.87	5.71	-96.91
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC=C2N1	REAL300000312792	0	37	-2.0	-98.59	347.24	6.29	-92.30
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2N1	REAL300000312793	0	36	-2.0	-113.03	328.76	3.33	-109.70
CC1=CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2N1	REAL300000312793	1	36	-2.0	-108.18	317.76	4.22	-103.96
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2N1	REAL300000312794	1	38	-2.0	-106.03	341.22	6.40	-99.63
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312795	1	35	-2.0	-104.13	339.75	6.15	-97.98
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C2N1	REAL300000312796	1	38	-2.0	-110.45	329.08	6.26	-104.19
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312797	1	38	-2.0	-112.73	343.89	6.27	-106.46
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312799	1	41	-2.0	-118.67	356.54	6.82	-111.85
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312800	0	37	-2.0	-111.80	345.60	6.72	-105.08
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C2N1	REAL300000312801	0	35	-2.0	-102.57	330.80	5.74	-96.83
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=CC=C2N1	REAL300000312803	0	38	-2.0	-112.26	340.52	6.22	-106.04
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3Cl)=CC=C2N1	REAL300000312804	0	38	-2.0	-110.96	350.80	6.76	-104.20
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC=C2N1	REAL300000312805	0	38	-2.0	-119.53	344.08	6.31	-113.22
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C)=CC3=C2)C=C1C(=O)[O-]	REAL300000312806	1	41	-2.0	-116.09	353.01	6.80	-109.29
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)=CC=C2N1	REAL300000312808	1	38	-2.0	-103.43	345.30	6.79	-96.64
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)=CC=C2N1	REAL300000312809	1	38	-2.0	-97.58	349.16	6.42	-91.16
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C)=C(Cl)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312810	1	38	-2.0	-111.54	350.28	6.58	-104.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(C)=CC3=C2)C=C1C(=O)[O-]	REAL300000312811	0	39	-2.0	-113.72	347.06	5.84	-107.88
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312813	1	38	-2.0	-108.50	352.78	6.69	-101.81
CC1=CC2=CC([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)=CC=C2N1	REAL300000312814	0	44	-2.0	-110.30	368.50	7.75	-102.55
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3NC(C)=CC3=C2)C=C1C(=O)[O-]	REAL300000312815	0	39	-2.0	-114.69	359.36	6.25	-108.44
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C2N1	REAL300000312816	1	38	-2.0	-101.36	335.05	6.16	-95.20
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])=CC=C2N1	REAL300000312817	0	40	-2.0	-106.84	359.76	7.79	-99.05
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=CC=C2N1	REAL300000312818	1	38	-2.0	-111.81	338.58	6.45	-105.36
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=CC=C2N1	REAL300000312819	0	37	-2.0	-121.77	342.77	7.47	-114.30
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2N1	REAL300000312820	0	35	-2.0	-118.69	322.70	5.65	-113.04
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312821	1	38	-2.0	-106.60	343.98	6.30	-100.30
CC1=CC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C2N1	REAL300000312822	1	41	-2.0	-122.57	360.08	7.74	-114.83
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2N1	REAL300000312823	0	34	-2.0	-110.67	316.03	3.67	-107.00
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(C)=CC2=C1	REAL300000312824	0	39	-2.0	-105.58	347.24	5.41	-100.17
CC1=CC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000312825	0	32	-2.0	-101.16	319.18	4.59	-96.57
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C2N1	REAL300000312826	1	42	-2.0	-107.66	365.17	7.51	-100.15
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C2N1	REAL300000312827	1	42	-2.0	-112.16	364.49	7.51	-104.65
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C)=CC3=C2)C=C(C(=O)[O-])O1	REAL300000312828	0	38	-2.0	-107.00	341.16	5.61	-101.39
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCO3)=C1	REAL300000312836	1	34	-2.0	-106.02	331.66	4.77	-101.25
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCO3)=C1	REAL300000312838	1	31	-2.0	-103.16	319.37	3.74	-99.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCO3)=C1	REAL300000312843	1	34	-2.0	-99.36	335.31	4.39	-94.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCO3)S1	REAL300000312852	1	31	-2.0	-98.13	318.44	3.84	-94.29
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(C=C2Cl)OCCO3)=C1	REAL300000312855	0	35	-2.0	-110.75	330.82	2.75	-108.00
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCO3)=C1F	REAL300000312864	1	34	-2.0	-112.59	329.81	4.74	-107.85
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCO3)=C1	REAL300000312865	0	33	-2.0	-106.47	322.39	2.83	-103.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCO3)=C(Cl)O1	REAL300000312867	1	31	-2.0	-96.78	326.28	3.68	-93.10
NC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000312869	1	39	-2.0	-111.60	363.70	0.34	-111.26
NC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000312870	1	39	-2.0	-101.66	359.16	0.31	-101.35
NC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000312871	1	39	-2.0	-114.11	359.16	0.31	-113.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000312872	1	42	-2.0	-115.24	375.18	0.84	-114.40
NC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000312873	0	39	-2.0	-110.74	364.64	0.38	-110.36
NC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000312874	0	36	-2.0	-108.39	352.34	-0.67	-109.06
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NCC(N)=O)=C1	REAL300000312875	1	42	-2.0	-114.10	374.59	1.10	-113.00
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000312876	0	40	-2.0	-112.57	365.81	-0.34	-112.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(N)=O)=C2)=C1	REAL300000312877	0	39	-2.0	-104.60	368.27	-0.01	-104.61
NC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000312878	0	36	-2.0	-109.85	350.81	-0.66	-110.51
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000312879	0	39	-2.0	-107.60	362.17	-0.55	-108.15
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(N)=O)=C2)C=C(C(=O)[O-])S1	REAL300000312880	0	39	-2.0	-110.65	368.85	0.20	-110.45
NC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000312881	1	39	-2.0	-101.23	363.69	0.35	-100.88
NC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000312882	0	36	-2.0	-103.39	351.43	-0.58	-103.97
NC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000312883	1	39	-2.0	-104.98	365.57	0.38	-104.60
NC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000312884	0	39	-2.0	-101.23	364.62	0.38	-100.85
NC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000312885	0	40	-2.0	-112.73	368.86	-1.97	-114.70
NC(=O)CNC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000312885	1	40	-2.0	-112.71	367.98	-1.10	-113.81
NC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000312886	1	42	-2.0	-104.66	381.35	1.09	-103.57
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NCC(N)=O)=C1	REAL300000312887	1	42	-2.0	-110.96	369.23	0.94	-110.02
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NCC(N)=O)=C1	REAL300000312888	1	42	-2.0	-101.67	374.57	1.07	-100.60
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000312889	0	43	-2.0	-113.88	387.29	0.51	-113.37
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000312890	1	42	-2.0	-101.82	375.17	0.85	-100.97
NC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000312891	0	39	-2.0	-118.98	362.82	0.34	-118.64
NC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000312892	0	38	-2.0	-110.39	356.15	-1.63	-112.02
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000312893	0	42	-2.0	-107.30	381.29	0.30	-107.00
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000312897	0	43	-2.0	-113.60	378.82	4.28	-109.32
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000312900	0	39	-2.0	-105.58	363.75	5.07	-100.51
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000312903	0	39	-2.0	-107.01	356.16	4.56	-102.45
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000312905	0	36	-2.0	-103.80	343.87	3.51	-100.29
COCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000312908	1	40	-2.0	-106.50	357.33	3.85	-102.65
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000312910	0	39	-2.0	-99.73	359.81	4.18	-95.55
COCCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000312912	1	36	-2.0	-104.96	342.33	3.53	-101.43
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000312916	0	46	-2.0	-114.04	401.11	5.05	-108.99
COCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000312917	0	42	-2.0	-113.64	381.78	5.01	-108.63
COCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000312919	0	39	-2.0	-102.16	353.72	3.63	-98.53
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000312920	0	43	-2.0	-110.29	379.65	3.58	-106.71
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000312922	1	42	-2.0	-99.69	371.39	5.31	-94.38
COCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000312925	1	39	-2.0	-105.63	359.31	4.38	-101.25
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000312926	1	39	-2.0	-94.48	363.73	5.06	-89.42
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000312928	0	36	-2.0	-97.56	342.94	3.61	-93.95
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000312929	1	39	-2.0	-100.45	357.09	4.56	-95.89
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000312930	0	42	-2.0	-108.49	376.44	5.20	-103.29
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000312931	0	39	-2.0	-96.18	356.14	4.57	-91.61
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000312934	1	39	-2.0	-98.26	361.50	4.59	-93.67
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000312935	1	41	-2.0	-94.54	378.87	5.16	-89.38
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000312936	0	40	-2.0	-108.10	360.39	2.21	-105.89
COCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000312936	1	40	-2.0	-109.44	359.58	3.00	-106.44
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000312942	1	41	-2.0	-106.76	377.26	5.57	-101.19
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000312943	0	39	-2.0	-98.45	362.44	4.62	-93.83
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000312945	0	42	-2.0	-108.19	372.16	5.09	-103.10
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000312946	0	42	-2.0	-107.30	382.44	5.63	-101.67
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000312947	0	42	-2.0	-113.69	375.69	5.19	-108.50
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCOC)C=C2)C=C1C(=O)[O-]	REAL300000312952	1	43	-2.0	-107.82	378.70	4.72	-103.10
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000312956	0	41	-2.0	-115.67	374.43	6.35	-109.32
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000312957	0	39	-2.0	-112.55	354.34	4.52	-108.03
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000312959	0	38	-2.0	-106.86	346.90	2.61	-104.25
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000312960	0	43	-2.0	-100.09	378.88	4.29	-95.80
COCCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000312961	0	36	-2.0	-96.05	350.83	3.47	-92.58
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCCOC)C=C2)C=C(C(=O)[O-])O1	REAL300000312964	0	42	-2.0	-102.02	372.80	4.49	-97.53
NC(=O)C1=CC=CC2=C1CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000312998	0	40	-2.0	-110.58	341.04	3.02	-107.56
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CC2=CC=CO2)C2=CC=CC=C2)=C1	REAL300000313053	0	39	-2.0	-113.20	351.17	7.06	-106.14
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000313075	1	38	-2.0	-109.65	341.06	4.10	-105.55
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000313076	1	38	-2.0	-99.94	336.50	4.08	-95.86
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000313077	1	38	-2.0	-112.39	336.54	4.07	-108.32
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1C	REAL300000313078	0	42	-2.0	-117.00	364.66	3.87	-113.13
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C	REAL300000313079	1	42	-2.0	-99.08	367.98	5.37	-93.71
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000313080	1	41	-2.0	-113.42	352.49	4.61	-108.81
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C	REAL300000313081	0	38	-2.0	-107.21	349.59	4.65	-102.56
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000313082	1	38	-2.0	-108.02	349.03	4.47	-103.55
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C	REAL300000313083	1	44	-2.0	-114.26	369.62	5.40	-108.86
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000313084	0	38	-2.0	-109.04	342.00	4.14	-104.90
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300000313085	1	44	-2.0	-98.64	380.11	5.65	-92.99
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000313086	0	35	-2.0	-106.58	329.73	3.09	-103.49
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000313087	1	41	-2.0	-112.15	351.97	4.86	-107.29
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000313089	0	39	-2.0	-110.58	343.17	3.43	-107.15
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000313091	0	38	-2.0	-102.91	345.66	3.76	-99.15
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000313093	0	35	-2.0	-107.95	328.18	3.12	-104.83
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C	REAL300000313095	1	47	-2.0	-114.32	390.43	6.07	-108.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NC)=C1C	REAL300000313096	1	44	-2.0	-110.11	365.48	5.75	-104.36
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1C	REAL300000313097	0	45	-2.0	-118.23	386.95	4.64	-113.59
CNC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000313098	0	41	-2.0	-111.40	364.61	4.59	-106.81
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000313098	1	40	-3.0	-189.14	364.93	4.64	-184.50
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C	REAL300000313099	1	45	-2.0	-116.26	380.79	5.97	-110.29
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000313100	0	38	-2.0	-105.58	339.56	3.22	-102.36
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C	REAL300000313101	0	42	-2.0	-113.55	365.53	3.16	-110.39
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C	REAL300000313103	1	41	-2.0	-102.95	357.26	4.89	-98.06
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C	REAL300000313104	1	42	-2.0	-97.30	373.84	4.42	-92.88
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000313106	0	38	-2.0	-108.54	346.24	3.96	-104.58
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000313107	0	38	-2.0	-97.39	349.57	4.63	-92.76
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000313108	1	38	-2.0	-99.48	341.04	4.11	-95.37
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000313109	0	35	-2.0	-101.62	328.81	3.20	-98.42
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000313110	1	38	-2.0	-103.34	342.94	4.14	-99.20
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C	REAL300000313111	0	41	-2.0	-110.42	362.26	4.77	-105.65
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000313112	0	38	-2.0	-99.40	341.98	4.14	-95.26
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000313113	1	38	-2.0	-97.49	349.01	4.47	-93.02
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1C	REAL300000313114	1	41	-2.0	-104.59	366.00	5.28	-99.31
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000313115	1	38	-2.0	-101.29	347.35	4.17	-97.12
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C	REAL300000313116	0	40	-2.0	-97.45	364.72	4.74	-92.71
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000313117	0	39	-2.0	-110.90	346.23	1.79	-109.11
CNC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C	REAL300000313117	1	39	-2.0	-109.85	343.33	2.61	-107.24
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000313118	1	41	-2.0	-104.84	358.71	4.85	-99.99
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000313119	1	41	-2.0	-108.89	346.37	4.69	-104.20
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000313120	1	41	-2.0	-111.27	361.36	4.72	-106.55
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000313122	1	44	-2.0	-115.46	369.74	5.15	-110.31
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300000313123	0	40	-2.0	-110.59	363.10	5.16	-105.43
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C	REAL300000313124	0	38	-2.0	-100.88	348.25	4.20	-96.68
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C	REAL300000313126	0	41	-2.0	-110.12	358.01	4.67	-105.45
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1C	REAL300000313127	0	41	-2.0	-109.01	368.30	5.21	-103.80
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C	REAL300000313128	0	41	-2.0	-117.93	361.55	4.76	-113.17
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC)=C2C)C=C1C(=O)[O-]	REAL300000313129	1	44	-2.0	-114.28	370.79	5.26	-109.02
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1C	REAL300000313131	1	41	-2.0	-102.35	362.87	5.24	-97.11
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000313132	1	41	-2.0	-110.06	367.75	5.03	-105.03
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC)=C2C)C=C1C(=O)[O-]	REAL300000313133	0	42	-2.0	-112.14	364.48	4.27	-107.87
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000313134	1	41	-2.0	-105.77	366.16	5.04	-100.73
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000313135	1	41	-2.0	-100.15	352.31	4.62	-95.53
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1C	REAL300000313136	1	41	-2.0	-109.81	356.47	4.89	-104.92
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C	REAL300000313137	0	40	-2.0	-119.92	360.28	5.93	-113.99
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000313138	0	38	-2.0	-117.35	340.19	4.10	-113.25
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000313139	1	41	-2.0	-104.10	357.47	4.64	-99.46
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300000313140	1	44	-2.0	-120.85	377.56	6.19	-114.66
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000313141	0	37	-2.0	-108.50	333.54	2.13	-106.37
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1C	REAL300000313142	0	42	-2.0	-103.99	364.72	3.87	-100.12
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C	REAL300000313143	0	35	-2.0	-99.91	336.62	3.05	-96.86
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C	REAL300000313144	1	45	-2.0	-105.78	382.65	5.96	-99.82
CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C	REAL300000313145	1	45	-2.0	-101.02	381.61	5.95	-95.07
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC)=C2C)C=C(C(=O)[O-])O1	REAL300000313146	0	41	-2.0	-105.17	358.67	4.07	-101.10
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C2=CC=CC=C21	REAL300000313152	0	38	-2.0	-96.97	346.11	7.32	-89.65
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000313159	0	38	-2.0	-114.02	345.64	8.20	-105.82
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300000313167	0	38	-2.0	-100.69	340.69	8.15	-92.54
O=C([O-])CC1CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000313173	0	38	-2.0	-117.77	341.12	8.17	-109.60
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(CC(=O)[O-])C2=CC=CC=C21	REAL300000313194	0	42	-2.0	-115.63	361.40	8.04	-107.59
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C1	REAL300000313195	0	42	-2.0	-100.56	372.17	9.44	-91.12
CC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000313200	0	41	-2.0	-101.63	360.88	8.80	-92.83
O=C([O-])CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C2=CC=CC=C21	REAL300000313211	0	38	-2.0	-96.37	348.03	8.47	-87.90
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000313212	0	38	-2.0	-111.21	353.62	8.56	-102.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)=C1C	REAL300000313228	0	44	-2.0	-114.55	374.69	9.52	-105.03
O=C([O-])CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=CC=CC=C21	REAL300000313231	0	38	-2.0	-97.56	342.19	8.08	-89.48
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C1	REAL300000313236	0	44	-2.0	-98.34	384.28	9.73	-88.61
O=C([O-])CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=CC=C21	REAL300000313243	0	35	-2.0	-109.88	334.30	7.19	-102.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(CC(=O)[O-])C2=CC=CC=C21	REAL300000313246	0	41	-2.0	-119.51	358.11	8.98	-110.53
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C1	REAL300000313259	0	42	-2.0	-97.96	371.79	8.43	-89.53
CN1C=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000313283	0	39	-2.0	-100.23	347.76	7.52	-92.71
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(CC(=O)[O-])C2=CC=CC=C21	REAL300000313286	0	42	-2.0	-114.62	366.38	7.06	-107.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)=C1	REAL300000313303	0	38	-2.0	-97.47	350.24	7.85	-89.62
CC1=CC(C)=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000313306	0	44	-2.0	-121.54	371.92	9.47	-112.07
O=C([O-])CC1CN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000313322	0	35	-2.0	-98.38	332.77	7.21	-91.17
COC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000313324	0	42	-2.0	-120.63	368.39	8.23	-112.40
CC1=CC=C([O-])C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)=C1	REAL300000313333	1	39	-2.0	-122.53	335.33	6.87	-115.66
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(CC(=O)[O-])C2=CC=CC=C21	REAL300000313335	0	44	-2.0	-112.24	373.57	9.70	-102.54
CC1=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000313341	0	38	-2.0	-97.11	340.34	7.15	-89.96
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)=C1	REAL300000313349	0	42	-2.0	-101.62	359.63	7.38	-94.24
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(CC(=O)[O-])C2=CC=CC=C21	REAL300000313367	0	41	-2.0	-93.62	354.48	8.66	-84.96
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)S1	REAL300000313385	1	41	-2.0	-96.57	368.42	4.55	-92.02
CC1=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300000313398	0	38	-2.0	-117.03	349.61	8.00	-109.03
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C2=CC=CC=C21	REAL300000313440	0	38	-2.0	-96.90	347.99	8.46	-88.44
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC=CC=C21	REAL300000313441	0	38	-2.0	-97.97	345.62	8.21	-89.76
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=CC=C21	REAL300000313445	0	35	-2.0	-97.48	333.39	7.30	-90.18
O=C([O-])CC1CN(S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000313447	0	38	-2.0	-93.97	347.52	8.23	-85.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)=C1F	REAL300000313448	0	41	-2.0	-107.31	359.90	8.63	-98.68
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=CC=CC=C21	REAL300000313450	0	38	-2.0	-96.44	339.59	8.00	-88.44
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=CC=CC=C21	REAL300000313451	0	38	-2.0	-95.58	353.60	8.57	-87.01
CC(=O)NC1=CC(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)=CC=C1[O-]	REAL300000313459	1	43	-2.0	-101.57	375.71	4.49	-97.08
O=C([O-])CC1CN(S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000313468	0	38	-2.0	-105.44	351.93	8.26	-97.18
O=C([O-])CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000313473	0	38	-3.0	-189.54	342.29	6.80	-182.74
O=C([O-])CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=CC=CC=C21	REAL300000313473	1	39	-2.0	-110.26	340.70	6.14	-104.12
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C1	REAL300000313475	0	41	-2.0	-99.79	362.88	8.93	-90.86
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC(CC(=O)[O-])C2=CC=CC=C21	REAL300000313496	0	41	-2.0	-98.10	350.87	8.82	-89.28
CC1=CC(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)=CC(C(=O)[O-])=C1F	REAL300000313498	0	41	-2.0	-114.94	365.94	8.82	-106.12
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC(CC(=O)[O-])C2=CC=CC=C21	REAL300000313499	0	41	-2.0	-96.66	349.19	8.62	-88.04
CC1=CC(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000313504	0	44	-2.0	-100.97	373.76	9.22	-91.75
O=C([O-])CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C2=CC=CC=C21	REAL300000313508	0	38	-2.0	-97.83	345.47	8.03	-89.80
CC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C(C)=C1C(=O)[O-]	REAL300000313514	0	44	-2.0	-103.93	376.49	9.61	-94.32
CC1=CC(F)=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000313515	0	41	-2.0	-106.14	355.28	8.51	-97.63
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)=C1	REAL300000313516	0	41	-2.0	-103.09	358.80	8.60	-94.49
CCC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000313520	0	44	-2.0	-115.29	375.38	9.35	-105.94
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC(CC(=O)[O-])C2=CC=CC=C21	REAL300000313525	0	41	-2.0	-97.41	362.68	8.13	-89.28
COC1=CC=C([O-])C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)=C1	REAL300000313534	1	40	-2.0	-119.65	343.39	5.49	-114.16
CCN1C=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000313555	0	42	-2.0	-100.90	369.15	8.39	-92.51
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)S1	REAL300000313622	1	38	-2.0	-97.40	353.90	3.96	-93.44
CC1=CC(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000313658	0	41	-2.0	-98.39	357.09	8.70	-89.69
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(CC(=O)[O-])C2=CC=CC=C21	REAL300000313697	0	41	-2.0	-112.71	362.16	9.03	-103.68
O=C([O-])CC1CN(S(=O)(=O)C2=NC=C[N-]2)C2=CC=CC=C21	REAL300000313702	0	32	-2.0	-102.70	290.72	3.71	-98.99
O=C([O-])CC1CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=CC=CC=C21	REAL300000313730	0	38	-2.0	-104.14	337.84	7.96	-96.18
CC1=C(F)C=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000313748	0	41	-2.0	-106.57	366.40	8.84	-97.73
O=C([O-])CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=CC=C21	REAL300000313802	0	37	-2.0	-98.69	337.33	6.30	-92.39
O=C([O-])CC1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C2=CC=CC=C21	REAL300000313815	0	36	-2.0	-112.43	320.32	6.27	-106.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC(CC(=O)[O-])C2=CC=CC=C21	REAL300000313832	0	42	-2.0	-102.16	361.39	8.05	-94.11
O=C([O-])CC1CN(S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000313837	0	35	-2.0	-95.23	335.70	6.96	-88.27
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)=C1	REAL300000313948	1	41	-2.0	-100.46	369.32	5.28	-95.18
CCOC(=O)C1=CC(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)=N[N-]1	REAL300000313948	1	41	-2.0	-100.32	369.42	5.28	-95.04
CCC1=C(S(=O)(=O)N2CC(CC(=O)[O-])C3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000314003	0	41	-2.0	-96.70	359.87	7.79	-88.91
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000314009	1	36	-2.0	-106.22	337.57	5.06	-101.16
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000314010	1	36	-2.0	-97.36	333.02	5.04	-92.32
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000314011	1	36	-2.0	-107.69	334.48	5.07	-102.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=NN=C2C)=C1	REAL300000314012	0	40	-2.0	-111.80	362.63	4.87	-106.93
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000314013	1	40	-2.0	-96.53	364.49	6.32	-90.21
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1	REAL300000314014	1	39	-2.0	-109.53	349.05	5.56	-103.97
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000314015	0	36	-2.0	-102.59	347.55	5.65	-96.94
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000314016	1	36	-2.0	-104.51	345.52	5.42	-99.09
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)=CC=C1	REAL300000314017	1	42	-2.0	-109.18	366.87	6.38	-102.80
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000314018	0	36	-2.0	-104.26	339.96	5.14	-99.12
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000314019	1	42	-2.0	-95.43	376.60	6.62	-88.81
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000314020	0	33	-2.0	-104.07	326.23	4.04	-100.03
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1	REAL300000314021	1	39	-2.0	-109.15	348.49	5.81	-103.34
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000314023	0	37	-2.0	-108.10	339.68	4.38	-103.72
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3N=NN=C3C)=C2)=C1	REAL300000314025	0	36	-2.0	-99.68	343.59	4.76	-94.92
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000314027	0	33	-2.0	-104.58	324.69	4.06	-100.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=NN=C2C)=C1	REAL300000314029	1	42	-2.0	-105.53	364.64	6.79	-98.74
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000314030	1	43	-2.0	-111.35	378.72	6.97	-104.38
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1	REAL300000314031	0	36	-2.0	-103.10	336.03	4.16	-98.94
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1	REAL300000314032	0	40	-2.0	-110.01	362.02	4.13	-105.88
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1	REAL300000314033	1	39	-2.0	-100.29	353.74	5.85	-94.44
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1	REAL300000314034	0	36	-2.0	-104.35	343.08	4.96	-99.39
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000314035	0	36	-2.0	-94.42	347.53	5.63	-88.79
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000314036	1	36	-2.0	-97.15	337.54	5.07	-92.08
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000314037	0	33	-2.0	-98.71	325.31	4.16	-94.55
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000314038	1	36	-2.0	-100.65	339.43	5.10	-95.55
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)=CC=C1	REAL300000314039	0	39	-2.0	-106.93	358.79	5.73	-101.20
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000314040	0	36	-2.0	-96.38	339.94	5.14	-91.24
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000314041	1	36	-2.0	-94.33	346.96	5.48	-88.85
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000314042	1	36	-2.0	-98.26	343.85	5.12	-93.14
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000314043	0	37	-2.0	-105.95	344.19	2.78	-103.17
CC1=NN=NN1C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000314043	1	37	-2.0	-111.71	341.95	3.54	-108.17
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000314044	1	39	-2.0	-99.51	355.21	5.81	-93.70
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1	REAL300000314045	1	39	-2.0	-105.90	343.11	5.67	-100.23
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)=CC=C1	REAL300000314046	1	39	-2.0	-108.75	357.86	5.68	-103.07
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=CC=C1	REAL300000314048	1	42	-2.0	-112.86	369.83	6.20	-106.66
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000314049	0	36	-2.0	-96.66	346.23	5.20	-91.46
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=CC=C1	REAL300000314051	0	39	-2.0	-105.33	355.71	5.67	-99.66
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1	REAL300000314052	0	39	-2.0	-114.47	358.06	5.72	-108.75
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=NN=C3C)=C2)C=C1C(=O)[O-]	REAL300000314053	1	42	-2.0	-110.17	367.27	6.22	-103.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=NN=C3C)=C2)C=C1C(=O)[O-]	REAL300000314054	0	40	-2.0	-109.32	361.06	5.25	-104.07
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1	REAL300000314055	1	39	-2.0	-97.39	349.03	5.57	-91.82
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC=C1	REAL300000314056	1	39	-2.0	-107.20	352.57	5.87	-101.33
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000314057	0	36	-2.0	-113.71	336.66	5.05	-108.66
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1	REAL300000314058	1	39	-2.0	-101.63	357.97	5.71	-95.92
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000314059	0	35	-2.0	-104.91	330.02	3.08	-101.83
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=NN=C2C)=C1	REAL300000314060	0	40	-2.0	-100.44	362.68	4.87	-95.57
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000314061	0	33	-2.0	-97.24	333.19	4.01	-93.23
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000314062	1	43	-2.0	-103.23	379.16	6.92	-96.31
CC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000314063	1	43	-2.0	-107.28	379.92	6.96	-100.32
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=NN=C3C)=C2)C=C(C(=O)[O-])O1	REAL300000314064	0	39	-2.0	-102.70	355.15	5.01	-97.69
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)C(C)=C1	REAL300000314065	1	41	-2.0	-111.57	369.38	7.23	-104.34
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000314066	1	41	-2.0	-101.51	366.24	7.23	-94.28
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000314067	1	41	-2.0	-113.55	366.26	7.22	-106.33
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)C(C)=C1	REAL300000314068	1	45	-2.0	-100.85	397.71	8.52	-92.33
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000314069	1	44	-2.0	-115.93	381.97	7.75	-108.18
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000314070	1	47	-2.0	-115.01	398.65	8.53	-106.48
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)C(C)=C1	REAL300000314071	0	41	-2.0	-110.24	371.74	7.29	-102.95
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000314072	1	47	-2.0	-99.80	409.82	8.82	-90.98
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000314073	0	38	-2.0	-107.87	359.44	6.24	-101.63
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000314074	1	44	-2.0	-113.13	381.69	8.01	-105.12
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000314075	0	42	-2.0	-113.45	371.47	6.55	-106.90
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000314076	0	41	-2.0	-104.61	375.38	6.91	-97.70
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000314078	0	38	-2.0	-110.18	357.91	6.26	-103.92
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=C(C)C=C2C)=C1	REAL300000314079	1	47	-2.0	-111.02	396.40	8.94	-102.08
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000314080	0	41	-2.0	-107.85	367.84	6.34	-101.51
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000314081	0	41	-2.0	-109.75	374.86	7.12	-102.63
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)C(C)=C1	REAL300000314082	1	41	-2.0	-100.82	370.77	7.26	-93.56
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000314083	0	38	-2.0	-103.35	358.52	6.35	-97.00
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)C(C)=C1	REAL300000314084	1	41	-2.0	-105.82	371.23	7.27	-98.55
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)C(C)=C1	REAL300000314085	0	41	-2.0	-101.63	370.29	7.27	-94.36
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)C(C)=C1	REAL300000314086	0	42	-2.0	-111.63	375.97	4.94	-106.69
CC1=NN(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)C(C)=C1	REAL300000314086	1	42	-2.0	-108.19	363.57	5.80	-102.39
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000314087	1	44	-2.0	-104.22	388.43	8.01	-96.21
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000314088	1	44	-2.0	-111.80	376.07	7.86	-103.94
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000314090	1	47	-2.0	-118.80	401.63	8.37	-110.43
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=C(C)C=C3C)=C2)C=C1C(=O)[O-]	REAL300000314092	1	47	-2.0	-116.57	400.09	8.41	-108.16
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=C(C)C=C3C)=C2)C=C1C(=O)[O-]	REAL300000314093	0	45	-2.0	-114.76	392.87	7.41	-107.35
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000314094	1	44	-2.0	-101.81	381.95	7.76	-94.05
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)C(C)=C1	REAL300000314095	0	41	-2.0	-120.22	369.88	7.25	-112.97
CC1=CC(C)=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000314096	0	40	-2.0	-110.55	361.82	5.25	-105.30
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)C(C)=C1	REAL300000314097	0	38	-2.0	-101.03	366.41	6.21	-94.82
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=C(C)C=C3C)=C2)C=C(C(=O)[O-])O1	REAL300000314098	0	44	-2.0	-106.19	388.39	7.21	-98.98
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000314099	0	35	-2.0	-89.71	328.13	1.30	-88.41
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000314100	0	36	-2.0	-107.10	331.28	3.81	-103.29
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=N1	REAL300000314101	0	28	-2.0	-103.54	288.08	3.43	-100.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000314102	0	32	-2.0	-113.67	299.81	2.53	-111.14
CN1C=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000314103	0	28	-2.0	-103.44	287.91	3.20	-100.24
CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000314104	0	32	-2.0	-95.58	303.12	4.02	-91.56
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000314105	0	28	-2.0	-104.13	284.73	3.30	-100.83
CN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000314106	0	28	-2.0	-103.91	284.17	3.11	-100.80
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=N1	REAL300000314107	0	28	-2.0	-99.78	297.23	3.67	-96.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=C1C	REAL300000314108	0	34	-2.0	-111.27	304.06	4.03	-107.24
CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000314109	0	34	-2.0	-94.89	315.23	4.31	-90.58
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000314110	0	32	-2.0	-94.29	302.73	3.00	-91.29
CN1C=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C=N1	REAL300000314111	0	39	-2.0	-90.92	348.50	3.78	-87.14
CN1C=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=N1	REAL300000314112	0	25	-2.0	-99.64	281.87	2.49	-97.15
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000314113	0	32	-2.0	-110.09	295.45	1.55	-108.54
CN1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)C=N1	REAL300000314114	0	28	-2.0	-103.39	296.56	3.37	-100.02
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C)N=C2)=C1	REAL300000314115	0	28	-2.0	-98.53	280.77	2.40	-96.13
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000314116	0	34	-2.0	-110.56	303.12	4.03	-106.53
COC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000314117	0	36	-2.0	-108.23	329.97	2.54	-105.69
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000314118	0	32	-2.0	-113.74	298.95	2.79	-110.95
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000314119	0	38	-2.0	-113.19	326.90	5.35	-107.84
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000314120	0	37	-2.0	-111.46	325.57	4.72	-106.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000314121	0	34	-2.0	-107.87	301.83	4.44	-103.43
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000314122	0	35	-2.0	-113.62	322.09	3.29	-110.33
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000314123	0	30	-3.0	-181.46	300.08	3.29	-178.17
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000314124	0	35	-2.0	-113.50	315.91	4.62	-108.88
CN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000314125	0	34	-2.0	-112.65	313.84	2.50	-110.15
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C)N=C2)=C1	REAL300000314126	0	32	-2.0	-108.14	300.58	1.82	-106.32
CN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000314127	0	36	-2.0	-95.53	325.30	3.34	-92.19
CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000314128	0	28	-2.0	-97.71	299.34	3.57	-94.14
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000314129	0	28	-2.0	-101.00	289.25	3.32	-97.68
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000314130	0	32	-2.0	-92.82	318.76	3.54	-89.28
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000314131	0	35	-2.0	-94.71	322.82	3.71	-91.00
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=N1	REAL300000314132	0	38	-2.0	-93.78	351.41	3.97	-89.81
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000314133	0	31	-2.0	-99.91	292.37	3.54	-96.37
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000314134	0	41	-2.0	-94.99	365.26	4.64	-90.35
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000314135	0	32	-2.0	-93.80	308.95	3.06	-90.74
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000314136	0	38	-2.0	-93.49	361.22	4.45	-89.04
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000314137	0	35	-2.0	-114.45	320.80	3.70	-110.75
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C(C(=O)[O-])S1	REAL300000314138	0	28	-2.0	-105.77	281.36	2.61	-103.16
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000314139	0	28	-2.0	-97.91	299.88	3.74	-94.17
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000314140	0	28	-2.0	-93.32	284.71	3.29	-90.03
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=N1	REAL300000314141	0	28	-2.0	-92.88	288.06	3.42	-89.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=C1F	REAL300000314142	0	31	-2.0	-106.70	297.42	3.43	-103.27
COC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000314143	0	32	-2.0	-97.88	311.97	3.34	-94.54
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000314144	0	28	-2.0	-93.35	284.16	3.12	-90.23
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000314145	0	31	-2.0	-101.67	301.10	3.93	-97.74
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000314146	0	31	-2.0	-97.56	302.49	4.00	-93.56
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000314147	0	36	-2.0	-92.53	335.41	4.13	-88.40
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000314148	0	28	-2.0	-92.91	287.89	3.21	-89.70
CN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000314149	0	28	-2.0	-97.20	282.48	2.81	-94.39
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000314150	0	30	-2.0	-93.02	299.85	3.38	-89.64
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000314151	0	31	-2.0	-102.87	309.51	3.88	-98.99
CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000314152	0	28	-2.0	-98.72	292.37	3.25	-95.47
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000314153	0	31	-2.0	-102.18	305.13	4.02	-98.16
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000314154	0	31	-2.0	-106.78	296.50	3.37	-103.41
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000314155	0	34	-2.0	-112.15	308.46	3.88	-108.27
CN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000314156	0	30	-2.0	-106.30	298.22	3.81	-102.49
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000314157	0	28	-2.0	-97.12	283.42	2.85	-94.27
CN1C=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=N1	REAL300000314158	0	25	-2.0	-94.82	281.65	2.54	-92.28
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000314159	0	34	-2.0	-108.04	305.05	4.13	-103.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000314160	0	31	-2.0	-107.55	296.97	3.42	-104.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=C1Cl	REAL300000314161	0	31	-2.0	-105.71	303.42	3.86	-101.85
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C)N=C2)=C1	REAL300000314162	0	31	-2.0	-111.93	296.70	3.41	-108.52
COC1=CC(Br)=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000314163	0	32	-2.0	-109.10	315.33	3.50	-105.60
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000314164	0	34	-2.0	-109.72	305.63	3.90	-105.82
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)C=N1	REAL300000314165	0	28	-2.0	-100.53	292.60	3.45	-97.08
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1CC(=O)[O-]	REAL300000314166	0	35	-2.0	-109.99	322.13	2.85	-107.14
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000314167	0	31	-2.0	-97.13	297.92	3.90	-93.23
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000314168	0	31	-2.0	-92.26	301.79	3.52	-88.74
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000314169	0	31	-2.0	-105.53	302.89	3.67	-101.86
CN1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000314170	0	28	-2.0	-100.85	292.95	3.33	-97.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=C1Br	REAL300000314171	0	31	-2.0	-105.41	306.24	3.99	-101.42
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000314172	0	40	-2.0	-107.41	336.57	5.57	-101.84
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)C=N1	REAL300000314173	0	28	-2.0	-95.90	293.76	3.47	-92.43
CN1C=C([N-]S(=O)(=O)C2=CC(Br)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000314174	0	28	-2.0	-98.15	303.55	3.67	-94.48
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000314175	0	28	-2.0	-96.01	297.26	3.28	-92.73
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=N1	REAL300000314176	0	32	-2.0	-94.60	316.36	3.02	-91.58
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000314177	0	31	-2.0	-102.31	305.40	3.78	-98.53
CN1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300000314178	0	37	-2.0	-105.51	321.11	4.85	-100.66
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Br)C=N1	REAL300000314179	0	28	-2.0	-99.35	300.58	3.82	-95.53
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000314180	0	32	-2.0	-109.50	311.99	3.35	-106.15
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000314181	0	34	-2.0	-101.38	323.28	4.66	-96.72
CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000314182	0	33	-2.0	-100.08	314.92	4.91	-95.17
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000314183	0	31	-2.0	-107.12	291.20	3.56	-103.56
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000314184	0	30	-2.0	-114.15	295.40	4.58	-109.57
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000314185	0	31	-2.0	-100.52	296.60	3.39	-97.13
CN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000314186	0	34	-2.0	-115.93	312.70	4.85	-111.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000314187	0	32	-2.0	-99.88	299.86	2.52	-97.36
CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000314188	0	25	-2.0	-96.19	271.81	1.70	-94.49
CN1C=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000314189	0	32	-2.0	-103.29	315.45	3.27	-100.02
CN1C=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=N1	REAL300000314190	0	31	-2.0	-98.88	315.01	-0.24	-99.12
CN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000314191	0	35	-2.0	-102.44	317.79	4.60	-97.84
CN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000314192	0	35	-2.0	-104.93	317.10	4.60	-100.33
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)=CC=C1F	REAL300000314193	0	32	-2.0	-106.59	329.76	4.47	-102.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)C=C1	REAL300000314194	0	32	-2.0	-97.21	325.22	4.45	-92.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300000314195	0	32	-2.0	-108.69	325.23	4.44	-104.25
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)C=C1	REAL300000314196	0	36	-2.0	-96.24	356.68	5.73	-90.51
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)C=C1C(=O)[O-]	REAL300000314197	0	35	-2.0	-109.74	341.25	4.97	-104.77
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300000314198	0	32	-2.0	-104.46	330.71	4.50	-99.96
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300000314199	0	29	-2.0	-103.14	318.41	3.46	-99.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(F)C=C1Cl	REAL300000314200	0	35	-2.0	-107.75	340.67	5.21	-102.54
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)C=C1C(=O)[O-]	REAL300000314201	0	33	-2.0	-107.59	331.87	3.79	-103.80
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300000314202	0	32	-2.0	-99.72	334.35	4.12	-95.60
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)=CS1	REAL300000314203	0	29	-2.0	-104.55	316.88	3.48	-101.07
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)C=C(C(=O)[O-])O1	REAL300000314204	0	32	-2.0	-102.09	328.25	3.58	-98.51
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)C=C(C(=O)[O-])S1	REAL300000314205	0	32	-2.0	-104.70	333.83	4.34	-100.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)C=C1F	REAL300000314206	0	32	-2.0	-96.97	329.77	4.48	-92.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)S1	REAL300000314207	0	29	-2.0	-98.40	317.50	3.57	-94.83
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300000314208	0	32	-2.0	-100.00	331.63	4.50	-95.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)C(F)=C1	REAL300000314209	0	32	-2.0	-96.63	330.72	4.51	-92.12
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300000314210	0	33	-2.0	-105.83	334.94	2.17	-103.66
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300000314210	1	32	-3.0	-204.14	331.38	3.04	-201.10
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)C=C1	REAL300000314211	0	35	-2.0	-99.01	347.40	5.22	-93.79
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(F)C=C1Cl	REAL300000314212	0	35	-2.0	-106.63	335.30	5.06	-101.57
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(F)C=C1Cl	REAL300000314213	0	35	-2.0	-97.18	340.65	5.20	-91.98
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)C=C1C(=O)[O-]	REAL300000314214	0	36	-2.0	-108.94	353.26	4.66	-104.28
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000314215	0	35	-2.0	-97.32	341.23	4.98	-92.34
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)=CC=C1	REAL300000314216	0	32	-2.0	-114.32	328.85	4.46	-109.86
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300000314217	0	31	-2.0	-106.33	321.46	2.56	-103.77
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)=C(Cl)O1	REAL300000314218	0	29	-2.0	-96.58	325.38	3.41	-93.17
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(F)C=C2Cl)C=C(C(=O)[O-])O1	REAL300000314219	0	35	-2.0	-101.62	347.35	4.37	-97.25
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000314220	0	38	-2.0	-119.73	355.02	7.85	-111.88
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000314221	0	38	-2.0	-109.21	350.45	7.83	-101.38
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000314222	0	38	-2.0	-122.94	350.48	7.82	-115.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1C	REAL300000314223	0	42	-2.0	-129.44	378.62	7.63	-121.81
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000314224	0	42	-2.0	-108.59	381.93	9.12	-99.47
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000314225	0	41	-2.0	-124.23	366.49	8.36	-115.87
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000314226	0	38	-2.0	-118.80	363.55	8.38	-110.42
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000314227	0	38	-2.0	-118.35	362.99	8.22	-110.13
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000314228	0	44	-2.0	-126.36	383.58	9.16	-117.20
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000314229	0	38	-2.0	-120.94	355.95	7.89	-113.05
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000314230	0	44	-2.0	-108.10	394.04	9.41	-98.69
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000314231	0	35	-2.0	-116.61	343.66	6.85	-109.76
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000314232	0	41	-2.0	-124.46	365.91	8.61	-115.85
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000314233	0	42	-2.0	-107.22	381.55	8.11	-99.11
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000314234	0	39	-2.0	-120.91	357.12	7.18	-113.73
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000314235	0	42	-2.0	-124.56	374.68	6.64	-117.92
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000314236	0	38	-2.0	-112.48	359.59	7.51	-104.97
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000314237	0	44	-2.0	-125.91	381.93	9.14	-116.77
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000314238	0	35	-2.0	-118.15	342.12	6.85	-111.30
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2C)C=C1C(=O)[O-]	REAL300000314239	0	42	-2.0	-128.69	377.75	7.89	-120.80
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000314240	0	47	-2.0	-126.83	404.37	9.83	-117.00
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1C	REAL300000314241	0	44	-2.0	-122.60	379.95	9.52	-113.08
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000314242	0	45	-2.0	-129.00	394.72	9.71	-119.29
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000314243	0	38	-2.0	-116.27	353.48	6.97	-109.30
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000314244	0	42	-2.0	-123.50	379.46	6.91	-116.59
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000314245	0	41	-2.0	-114.17	371.18	8.64	-105.53
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000314246	0	38	-2.0	-120.11	360.17	7.71	-112.40
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000314247	0	38	-2.0	-106.52	363.53	8.37	-98.15
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000314248	0	38	-2.0	-108.29	355.01	7.86	-100.43
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000314249	0	35	-2.0	-111.12	342.73	6.95	-104.17
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000314250	0	38	-2.0	-113.22	356.88	7.89	-105.33
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000314251	0	41	-2.0	-122.41	376.23	8.53	-113.88
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000314252	0	38	-2.0	-108.74	355.94	7.89	-100.85
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000314253	0	38	-2.0	-106.61	362.98	8.23	-98.38
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000314254	0	38	-2.0	-110.74	361.29	7.92	-102.82
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000314255	0	39	-2.0	-123.53	360.19	5.54	-117.99
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000314256	0	41	-2.0	-113.62	372.64	8.61	-105.01
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000314257	0	41	-2.0	-118.16	360.55	8.46	-109.70
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000314258	0	41	-2.0	-121.18	375.31	8.47	-112.71
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000314259	0	41	-2.0	-109.26	365.89	8.60	-100.66
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000314260	0	44	-2.0	-127.56	387.30	8.99	-118.57
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000314261	0	38	-2.0	-111.80	362.23	7.95	-103.85
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000314262	0	44	-2.0	-122.25	384.95	9.20	-113.05
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000314263	0	41	-2.0	-122.20	371.95	8.42	-113.78
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000314264	0	41	-2.0	-127.29	375.49	8.51	-118.78
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2C)C=C1C(=O)[O-]	REAL300000314265	0	44	-2.0	-125.00	384.71	9.01	-115.99
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2C)C=C1C(=O)[O-]	REAL300000314266	0	42	-2.0	-122.21	378.50	8.04	-114.17
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000314267	0	41	-2.0	-109.47	366.48	8.37	-101.10
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000314268	0	41	-2.0	-121.49	370.01	8.66	-112.83
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000314269	0	38	-2.0	-126.46	354.11	7.85	-118.61
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000314270	0	41	-2.0	-114.16	371.64	8.39	-105.77
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000314271	0	37	-2.0	-120.70	346.69	5.95	-114.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1C	REAL300000314272	0	42	-2.0	-113.87	378.68	7.63	-106.24
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000314273	0	35	-2.0	-109.67	350.58	6.79	-102.88
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000314274	0	45	-2.0	-116.38	396.60	9.71	-106.67
CC1=CN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000314275	0	45	-2.0	-119.48	395.91	9.71	-109.77
CCC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2C)C=C(C(=O)[O-])O1	REAL300000314276	0	41	-2.0	-116.06	372.60	7.82	-108.24
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300000314277	0	36	-2.0	-115.55	340.65	2.17	-113.38
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)O1	REAL300000314278	0	36	-2.0	-105.61	336.10	2.15	-103.46
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)O1	REAL300000314279	0	36	-2.0	-118.27	336.12	2.14	-116.13
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=C(C)O1	REAL300000314280	0	40	-2.0	-121.53	364.26	1.93	-119.60
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)O1	REAL300000314281	0	40	-2.0	-103.49	367.56	3.43	-100.06
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)O1	REAL300000314282	0	39	-2.0	-119.60	352.13	2.67	-116.93
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)O1	REAL300000314283	0	36	-2.0	-111.82	349.19	2.70	-109.12
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000314284	0	36	-2.0	-114.01	348.62	2.53	-111.48
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)O1	REAL300000314285	0	42	-2.0	-118.65	369.22	3.45	-115.20
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)O1	REAL300000314286	0	36	-2.0	-114.38	341.58	2.20	-112.18
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)O1	REAL300000314287	0	42	-2.0	-102.61	379.69	3.72	-98.89
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)O1	REAL300000314288	0	33	-2.0	-112.77	329.30	1.15	-111.62
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)O1	REAL300000314289	0	39	-2.0	-116.59	351.54	2.92	-113.67
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300000314290	0	40	-2.0	-102.32	367.18	2.42	-99.90
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)O1	REAL300000314291	0	37	-2.0	-116.75	342.76	1.49	-115.26
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)O1	REAL300000314292	1	40	-2.0	-116.59	360.32	0.95	-115.64
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)O1	REAL300000314293	0	36	-2.0	-109.01	345.25	1.81	-107.20
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)O1	REAL300000314294	0	42	-2.0	-117.93	367.56	3.45	-114.48
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)O1	REAL300000314295	0	33	-2.0	-113.97	327.76	1.17	-112.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=C(C)O2)C=C1C(=O)[O-]	REAL300000314296	0	40	-2.0	-124.13	363.41	2.20	-121.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=C(C)O1	REAL300000314297	0	42	-2.0	-113.43	361.34	4.26	-109.17
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)O1	REAL300000314298	0	43	-2.0	-121.23	380.36	4.03	-117.20
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)O1	REAL300000314299	0	36	-2.0	-110.81	339.12	1.28	-109.53
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)O1	REAL300000314300	0	40	-2.0	-121.28	365.04	1.22	-120.06
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)O1	REAL300000314301	0	39	-2.0	-107.91	356.82	2.95	-104.96
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)O1	REAL300000314302	0	36	-2.0	-113.35	344.74	2.03	-111.32
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)O1	REAL300000314303	0	36	-2.0	-102.69	349.16	2.70	-99.99
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300000314304	0	36	-2.0	-105.07	340.65	2.18	-102.89
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)O1	REAL300000314305	0	33	-2.0	-107.68	328.38	1.26	-106.42
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)O1	REAL300000314306	0	36	-2.0	-109.28	342.52	2.20	-107.08
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)O1	REAL300000314307	0	39	-2.0	-116.05	361.87	2.84	-113.21
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)O1	REAL300000314308	0	36	-2.0	-105.47	341.58	2.21	-103.26
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300000314309	0	36	-2.0	-103.09	348.62	2.54	-100.55
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)O1	REAL300000314310	0	36	-2.0	-107.28	346.93	2.23	-105.05
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)O1	REAL300000314311	0	37	-2.0	-114.60	345.83	-0.16	-114.76
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)O1	REAL300000314312	0	39	-2.0	-107.70	358.29	2.91	-104.79
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)O1	REAL300000314313	0	39	-2.0	-115.79	346.15	2.77	-113.02
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)O1	REAL300000314314	0	39	-2.0	-117.21	360.96	2.79	-114.42
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)O1	REAL300000314315	0	39	-2.0	-104.99	351.53	2.91	-102.08
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)O1	REAL300000314316	0	42	-2.0	-121.81	369.01	3.21	-118.60
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)O1	REAL300000314317	0	36	-2.0	-106.71	347.85	2.26	-104.45
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)O1	REAL300000314318	0	42	-2.0	-120.18	370.59	3.52	-116.66
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)O1	REAL300000314319	0	39	-2.0	-115.63	357.59	2.74	-112.89
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)O1	REAL300000314320	0	39	-2.0	-125.33	361.13	2.83	-122.50
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=C(C)O2)C=C1C(=O)[O-]	REAL300000314321	0	42	-2.0	-120.29	370.44	3.33	-116.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=C(C)O2)C=C1C(=O)[O-]	REAL300000314322	0	40	-2.0	-118.12	364.14	2.36	-115.76
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)O1	REAL300000314323	0	39	-2.0	-105.88	352.12	2.68	-103.20
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)O1	REAL300000314324	0	39	-2.0	-113.74	356.07	2.95	-110.79
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)O1	REAL300000314325	0	36	-2.0	-124.21	339.75	2.16	-122.05
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)O1	REAL300000314326	0	39	-2.0	-110.31	357.28	2.71	-107.60
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)O1	REAL300000314327	0	35	-2.0	-116.56	332.32	0.26	-116.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=C(C)O1	REAL300000314328	0	40	-2.0	-109.27	364.31	1.93	-107.34
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)O1	REAL300000314329	0	33	-2.0	-105.50	336.22	1.11	-104.39
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)O1	REAL300000314330	0	43	-2.0	-110.77	382.24	4.01	-106.76
CC1=NN=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)O1	REAL300000314331	0	43	-2.0	-116.84	380.20	4.01	-112.83
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=C(C)O2)C=C(C(=O)[O-])O1	REAL300000314332	0	39	-2.0	-109.16	354.21	2.49	-106.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)=CC=C1F	REAL300000314333	0	32	-2.0	-99.96	325.75	6.56	-93.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)C=C1	REAL300000314334	0	32	-2.0	-90.34	321.21	6.54	-83.80
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)=C1	REAL300000314335	0	32	-2.0	-102.28	321.22	6.52	-95.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)C=C1C(=O)[O-]	REAL300000314336	0	35	-2.0	-103.37	337.24	7.05	-96.32
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)=C1	REAL300000314337	0	32	-2.0	-99.27	326.70	6.59	-92.68
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)=C1	REAL300000314338	0	29	-2.0	-96.97	314.41	5.54	-91.43
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(F)(F)F	REAL300000314339	0	35	-2.0	-102.72	336.65	7.31	-95.41
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)C=C1C(=O)[O-]	REAL300000314340	0	33	-2.0	-100.76	327.87	5.87	-94.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)=C1	REAL300000314341	0	32	-2.0	-93.19	330.33	6.21	-86.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)=CS1	REAL300000314342	0	29	-2.0	-98.23	312.87	5.56	-92.67
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)C=C(C(=O)[O-])O1	REAL300000314343	0	32	-2.0	-96.39	324.23	5.66	-90.73
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)C=C(C(=O)[O-])S1	REAL300000314344	0	32	-2.0	-99.41	329.84	6.42	-92.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)C=C1F	REAL300000314345	0	32	-2.0	-90.03	325.73	6.57	-83.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)S1	REAL300000314346	0	29	-2.0	-91.97	313.48	5.66	-86.31
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)=C1	REAL300000314347	0	32	-2.0	-93.41	327.62	6.58	-86.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)C(F)=C1	REAL300000314348	0	32	-2.0	-89.72	326.68	6.60	-83.12
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)=C1	REAL300000314349	0	33	-2.0	-101.45	330.93	4.24	-97.21
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)C=C1	REAL300000314350	0	35	-2.0	-93.35	343.40	7.29	-86.06
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(F)(F)F	REAL300000314351	0	35	-2.0	-98.76	331.26	7.18	-91.58
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(F)(F)F	REAL300000314352	1	35	-2.0	-90.37	336.63	7.30	-83.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)C=C1C(=O)[O-]	REAL300000314353	0	36	-2.0	-101.97	349.24	6.74	-95.23
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)=CC=C1C(=O)[O-]	REAL300000314354	0	35	-2.0	-91.99	341.27	7.17	-84.82
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)=C1F	REAL300000314355	0	32	-2.0	-106.60	324.86	6.55	-100.05
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)=C1	REAL300000314356	0	31	-2.0	-100.12	317.43	4.64	-95.48
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(F)(F)F)C=C(C(=O)[O-])O1	REAL300000314357	0	35	-2.0	-96.13	343.34	6.51	-89.62
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000314358	1	41	-2.0	-110.84	369.65	4.93	-105.91
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000314359	1	41	-2.0	-100.90	365.11	4.90	-96.00
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000314360	1	41	-2.0	-113.34	365.11	4.90	-108.44
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000314361	0	45	-2.0	-117.62	393.25	4.69	-112.93
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000314362	1	45	-2.0	-100.18	396.58	6.20	-93.98
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000314363	1	44	-2.0	-114.56	381.13	5.43	-109.13
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000314364	0	41	-2.0	-107.90	378.18	5.48	-102.42
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000314365	1	41	-2.0	-109.23	377.63	5.29	-103.94
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000314366	1	47	-2.0	-115.01	397.79	6.25	-108.76
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000314367	0	41	-2.0	-109.73	370.59	4.97	-104.76
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000314368	1	47	-2.0	-99.20	408.70	6.48	-92.72
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000314369	0	38	-2.0	-107.68	358.29	3.92	-103.76
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000314370	1	44	-2.0	-112.82	380.54	5.69	-107.13
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000314371	1	45	-2.0	-98.89	396.19	5.18	-93.71
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000314372	0	42	-2.0	-111.81	371.76	4.25	-107.56
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000314374	0	41	-2.0	-103.93	374.22	4.58	-99.35
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000314375	1	47	-2.0	-114.45	396.18	6.24	-108.21
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000314376	0	38	-2.0	-109.10	356.76	3.94	-105.16
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000314377	1	45	-2.0	-119.26	392.40	4.96	-114.30
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000314378	1	47	-2.0	-110.81	395.25	6.63	-104.18
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000314379	0	41	-2.0	-106.52	368.12	4.04	-102.48
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000314380	0	45	-2.0	-114.92	394.10	4.00	-110.92
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000314381	1	44	-2.0	-103.73	385.82	5.71	-98.02
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000314382	0	41	-2.0	-109.55	373.71	4.79	-104.76
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000314383	0	41	-2.0	-98.52	378.16	5.46	-93.06
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000314384	1	41	-2.0	-100.49	369.63	4.94	-95.55
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000314385	0	38	-2.0	-102.66	357.38	4.03	-98.63
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000314386	1	41	-2.0	-104.27	371.52	4.96	-99.31
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000314387	0	44	-2.0	-111.25	390.87	5.60	-105.65
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000314388	0	41	-2.0	-100.61	370.57	4.97	-95.64
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000314389	1	41	-2.0	-98.56	377.61	5.30	-93.26
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000314390	1	41	-2.0	-102.47	375.93	5.00	-97.47
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000314391	0	42	-2.0	-111.35	374.82	2.62	-108.73
CCCNC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000314391	1	42	-2.0	-111.53	373.93	3.49	-108.04
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000314392	1	44	-2.0	-103.53	387.30	5.68	-97.85
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000314393	1	44	-2.0	-110.58	375.18	5.54	-105.04
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000314394	1	44	-2.0	-112.26	389.94	5.55	-106.71
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000314395	1	44	-2.0	-100.86	380.52	5.66	-95.20
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000314396	1	47	-2.0	-116.44	398.00	5.96	-110.48
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000314397	0	41	-2.0	-101.74	376.87	5.03	-96.71
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000314398	1	47	-2.0	-115.05	398.50	6.30	-108.75
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000314399	0	44	-2.0	-112.04	390.43	5.59	-106.45
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000314400	0	44	-2.0	-119.62	390.15	5.58	-114.04
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000314401	1	47	-2.0	-115.25	399.05	6.08	-109.17
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000314402	0	45	-2.0	-113.16	393.24	5.10	-108.06
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000314403	1	44	-2.0	-101.07	381.12	5.44	-95.63
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000314404	1	44	-2.0	-110.59	384.65	5.73	-104.86
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000314405	0	41	-2.0	-118.83	368.77	4.93	-113.90
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000314406	1	44	-2.0	-106.25	390.05	5.57	-100.68
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000314407	0	40	-2.0	-109.07	362.10	2.95	-106.12
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000314408	0	45	-2.0	-105.05	393.31	4.70	-100.35
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000314409	0	38	-2.0	-100.80	365.26	3.87	-96.93
CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000314410	0	44	-2.0	-106.16	387.24	4.89	-101.27
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000314414	0	42	-2.0	-112.76	379.71	5.72	-107.04
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000314417	0	38	-2.0	-106.72	364.63	6.49	-100.23
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000314420	0	38	-2.0	-108.15	357.04	5.99	-102.16
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000314422	0	35	-2.0	-104.87	344.75	4.94	-99.93
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000314425	1	39	-2.0	-106.16	358.21	5.28	-100.88
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000314427	0	38	-2.0	-101.09	360.70	5.61	-95.48
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000314429	1	35	-2.0	-106.30	343.21	4.95	-101.35
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000314432	0	38	-2.0	-101.88	354.60	5.06	-96.82
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000314433	0	42	-2.0	-111.42	380.53	5.01	-106.41
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000314434	1	41	-2.0	-99.23	372.27	6.74	-92.49
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000314435	1	38	-2.0	-105.06	360.19	5.80	-99.26
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000314436	1	38	-2.0	-95.76	364.61	6.48	-89.28
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000314438	0	35	-2.0	-97.17	343.82	5.04	-92.13
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000314439	1	38	-2.0	-101.47	357.97	5.99	-95.48
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000314440	0	41	-2.0	-109.61	377.32	6.63	-102.98
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000314441	0	38	-2.0	-97.43	357.02	5.99	-91.44
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000314443	0	39	-2.0	-107.36	361.27	3.64	-103.72
COC(=O)COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000314443	1	39	-2.0	-110.36	360.47	4.43	-105.93
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000314450	0	41	-2.0	-109.35	373.04	6.52	-102.83
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000314451	0	41	-2.0	-114.58	376.57	6.61	-107.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000314453	1	42	-2.0	-107.38	379.58	6.14	-101.24
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000314456	0	38	-2.0	-111.77	355.22	5.95	-105.82
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000314457	1	41	-2.0	-103.22	376.50	6.60	-96.62
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000314458	0	37	-2.0	-108.15	347.78	4.04	-104.11
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000314459	0	42	-2.0	-99.61	379.77	5.72	-93.89
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000314460	0	35	-2.0	-95.77	351.71	4.90	-90.87
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000314461	0	41	-2.0	-101.72	373.69	5.92	-95.80
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=C1OC(F)F	REAL300000314462	1	37	-2.0	-125.80	352.31	5.11	-120.69
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C=C1OC(F)F	REAL300000314463	1	37	-2.0	-121.09	352.27	5.11	-115.98
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=C1OC(F)F	REAL300000314464	0	37	-2.0	-138.35	349.59	5.02	-133.33
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)ON=C2C)C=C1OC(F)F	REAL300000314465	0	38	-2.0	-119.94	344.55	3.67	-116.27
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C)=C2)C=C1OC(F)F	REAL300000314466	1	39	-2.0	-132.46	352.87	5.39	-127.07
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CS2)C=C1OC(F)F	REAL300000314468	0	33	-2.0	-128.49	323.39	3.72	-124.77
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C=C2)C=C1OC(F)F	REAL300000314469	1	39	-2.0	-131.70	352.88	5.40	-126.30
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1OC(F)F	REAL300000314470	1	36	-2.0	-127.07	337.87	4.79	-122.28
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1OC(F)F	REAL300000314471	1	36	-2.0	-131.23	331.45	4.72	-126.51
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)S2)C=C1OC(F)F	REAL300000314473	0	36	-2.0	-130.15	345.29	4.52	-125.63
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1OC(F)F	REAL300000314475	1	36	-2.0	-122.47	337.86	4.79	-117.68
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1OC(F)F	REAL300000314476	0	36	-2.0	-136.24	336.96	4.78	-131.46
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)N=C2)C=C1OC(F)F	REAL300000314477	0	36	-2.0	-126.34	336.01	2.43	-123.91
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNN=C2)C=C1OC(F)F	REAL300000314478	0	33	-2.0	-123.02	313.04	1.12	-121.90
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1OC(F)F	REAL300000314479	0	35	-2.0	-120.12	332.87	3.00	-117.12
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)C=N2)C=C1OC(F)F	REAL300000314480	0	36	-2.0	-138.59	335.48	3.83	-134.76
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=C1OC(F)F	REAL300000314481	0	36	-2.0	-117.04	347.40	3.24	-113.80
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)C(C)=N2)C=C1OC(F)F	REAL300000314482	0	39	-2.0	-140.83	354.99	3.61	-137.22
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=C(OC)C=C2C(=O)[O-])C=N1	REAL300000314483	0	39	-2.0	-126.76	357.54	3.29	-123.47
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNN=C2C)C=C1OC(F)F	REAL300000314484	0	36	-2.0	-124.16	331.85	1.77	-122.39
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2C)C=C1OC(F)F	REAL300000314485	1	39	-2.0	-130.25	346.95	5.49	-124.76
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=NN(C)C=C2)C=C1OC(F)F	REAL300000314487	0	36	-2.0	-136.89	336.31	2.25	-134.64
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=NN2C)C=C1OC(F)F	REAL300000314488	0	36	-2.0	-121.78	331.70	2.35	-119.43
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNC=N2)C=C1OC(F)F	REAL300000314493	0	33	-2.0	-136.08	312.77	2.12	-133.96
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C=CS2)C=C1OC(F)F	REAL300000314495	0	36	-2.0	-130.10	339.69	4.54	-125.56
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(C)S2)C=C1OC(F)F	REAL300000314505	0	35	-2.0	-126.16	339.99	2.55	-123.61
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)OC(C)=C2)C=C1OC(F)F	REAL300000314510	0	39	-2.0	-127.28	354.41	4.30	-122.98
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)O2)C=C1OC(F)F	REAL300000314511	0	36	-2.0	-130.43	336.06	3.53	-126.90
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CO2)C=C1OC(F)F	REAL300000314513	0	33	-2.0	-128.74	314.14	2.71	-126.03
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=NN2C)C=C1OC(F)F	REAL300000314514	0	35	-2.0	-115.45	324.88	1.18	-114.27
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)ON=C2N)C=C1OC(F)F	REAL300000314518	0	37	-2.0	-119.55	339.00	2.09	-117.46
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)N=C2)C=C1OC(F)F	REAL300000314520	0	38	-2.0	-127.67	348.06	3.55	-124.12
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C=NN2C)C=C1OC(F)F	REAL300000314523	0	39	-2.0	-123.01	348.33	3.18	-119.83
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C=C1OC(F)F	REAL300000314524	0	34	-2.0	-120.25	335.40	3.26	-116.99
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CSC=C2)C=C1OC(F)F	REAL300000314525	0	33	-2.0	-126.10	322.57	3.63	-122.47
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=COC=C2)C=C1OC(F)F	REAL300000314526	0	33	-2.0	-126.39	313.99	2.60	-123.79
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CS2)C=C1OC(F)F	REAL300000314527	0	36	-2.0	-128.98	345.03	4.38	-124.60
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1OC(F)F	REAL300000314528	0	33	-2.0	-124.13	329.75	1.52	-122.61
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=NS2)C=C1OC(F)F	REAL300000314529	0	35	-2.0	-122.01	339.96	3.01	-119.00
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1OC(F)F	REAL300000314531	0	33	-2.0	-127.94	329.74	3.76	-124.18
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)N=S(C)(C)=O)C=C1OC(F)F	REAL300000314533	1	36	-2.0	-155.88	336.81	0.65	-155.23
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=NC=CN2)C=C1OC(F)F	REAL300000314534	0	33	-2.0	-130.49	313.09	1.29	-129.20
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2)C=C1OC(F)F	REAL300000314537	0	39	-2.0	-125.96	352.13	2.96	-123.00
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000314538	1	40	-2.0	-131.71	362.54	5.81	-125.90
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)N=C2C)C=C1OC(F)F	REAL300000314539	0	39	-2.0	-127.89	354.85	3.08	-124.81
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=C1OC(F)F	REAL300000314540	0	36	-2.0	-118.48	347.31	3.32	-115.16
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CON=C2C)C=C1OC(F)F	REAL300000314545	0	35	-2.0	-118.91	328.41	2.68	-116.23
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1OC(F)F	REAL300000314546	0	35	-2.0	-133.68	331.96	2.90	-130.78
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1OC(F)F	REAL300000314548	0	35	-2.0	-118.44	332.88	2.88	-115.56
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(C)N2C)C=C1OC(F)F	REAL300000314551	0	39	-2.0	-127.95	350.83	3.69	-124.26
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C=C1OC(F)F	REAL300000314553	0	36	-2.0	-121.44	336.66	2.08	-119.36
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=NS2)C=C1OC(F)F	REAL300000314554	0	32	-2.0	-121.26	318.20	2.42	-118.84
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)N=N2)C=C1OC(F)F	REAL300000314555	0	35	-2.0	-131.26	330.25	1.04	-130.22
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=C(OC)C=C1C(=O)[O-]	REAL300000314556	0	38	-2.0	-116.54	346.69	2.05	-114.49
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)NC=N2)C=C1OC(F)F	REAL300000314557	0	36	-2.0	-137.91	330.58	2.83	-135.08
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=NN2C)C=C1OC(F)F	REAL300000314559	0	39	-2.0	-123.15	353.64	2.94	-120.21
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=C(OC)C=C2C(=O)[O-])O1	REAL300000314561	0	39	-2.0	-130.50	357.55	4.32	-126.18
CCN1N=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=C(OC)C=C2C(=O)[O-])=N1	REAL300000314562	0	38	-2.0	-127.50	352.17	1.59	-125.91
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1OC(F)F	REAL300000314563	0	33	-2.0	-123.19	331.21	3.33	-119.86
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CO2)C=C1OC(F)F	REAL300000314564	0	36	-2.0	-129.44	336.05	3.38	-126.06
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C=C1OC(F)F	REAL300000314565	0	34	-2.0	-126.95	335.62	3.16	-123.79
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1OC(F)F	REAL300000314566	0	33	-2.0	-124.99	330.24	3.22	-121.77
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C=C1OC(F)F	REAL300000314567	0	34	-2.0	-129.38	334.44	3.13	-126.25
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1OC(F)F	REAL300000314568	1	37	-2.0	-131.71	342.48	1.87	-129.84
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CSN=C2)C=C1OC(F)F	REAL300000314569	0	32	-2.0	-118.97	317.11	2.33	-116.64
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=CS2)C=C1OC(F)F	REAL300000314570	0	32	-2.0	-124.22	318.05	1.84	-122.38
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000314571	0	33	-2.0	-107.67	326.89	0.64	-107.03
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000314572	0	33	-2.0	-98.96	322.35	0.62	-98.34
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000314573	0	33	-2.0	-110.02	322.38	0.61	-109.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)N=C1	REAL300000314574	0	37	-2.0	-117.58	350.50	0.41	-117.17
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000314575	0	37	-2.0	-99.07	353.82	1.90	-97.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300000314576	0	36	-2.0	-111.00	338.38	1.14	-109.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)=C1C	REAL300000314577	0	39	-2.0	-115.40	354.76	1.93	-113.47
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000314578	0	33	-2.0	-107.87	327.85	0.67	-107.20
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000314579	0	39	-2.0	-97.99	365.94	2.19	-95.80
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000314580	0	30	-2.0	-106.09	315.55	-0.37	-106.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)N=C1	REAL300000314581	0	36	-2.0	-113.66	337.80	1.39	-112.27
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000314582	0	37	-2.0	-97.54	353.44	0.89	-96.65
CN1C=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300000314583	0	34	-2.0	-110.14	329.01	-0.04	-110.18
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)N=C1	REAL300000314584	0	37	-2.0	-114.08	346.57	-0.58	-114.66
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)=C1	REAL300000314585	0	33	-2.0	-101.19	331.47	0.29	-100.90
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300000314586	0	39	-2.0	-115.13	353.43	1.95	-113.18
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000314587	0	30	-2.0	-106.03	314.01	-0.36	-106.39
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300000314588	0	37	-2.0	-117.89	349.65	0.68	-117.21
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)N=C1	REAL300000314589	0	42	-2.0	-115.75	376.26	2.62	-113.13
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)N=C1	REAL300000314590	0	39	-2.0	-112.41	352.53	2.34	-110.07
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000314591	0	40	-2.0	-117.50	366.61	2.51	-114.99
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)C=C(C(=O)[O-])O1	REAL300000314592	0	33	-2.0	-106.16	325.37	-0.25	-106.41
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)=C1	REAL300000314593	0	37	-2.0	-111.05	351.35	-0.30	-111.35
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)N=C1	REAL300000314594	0	36	-2.0	-104.03	343.07	1.43	-102.60
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)C=C(C(=O)[O-])S1	REAL300000314595	0	33	-2.0	-109.77	332.06	0.49	-109.28
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000314596	0	33	-2.0	-96.46	335.42	1.17	-95.29
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000314597	0	33	-2.0	-98.76	326.87	0.65	-98.11
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000314598	0	30	-2.0	-100.15	314.63	-0.26	-100.41
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000314599	0	33	-2.0	-102.77	328.76	0.68	-102.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)=C1F	REAL300000314600	0	36	-2.0	-110.38	348.13	1.31	-109.07
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000314601	0	33	-2.0	-97.86	327.81	0.68	-97.18
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000314602	0	33	-2.0	-96.47	334.86	1.01	-95.46
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000314603	0	34	-2.0	-112.57	332.08	-1.68	-114.25
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000314604	0	36	-2.0	-102.52	344.54	1.38	-101.14
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)N=C1	REAL300000314605	0	36	-2.0	-106.07	332.40	1.24	-104.83
CC1=CC(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)=CC(C(=O)[O-])=C1F	REAL300000314606	0	36	-2.0	-111.01	347.19	1.26	-109.75
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)N=C1	REAL300000314607	0	36	-2.0	-99.54	337.77	1.38	-98.16
CC1=CC(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)=CC(C(=O)[O-])=C1C	REAL300000314608	0	39	-2.0	-114.07	359.16	1.78	-112.29
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000314609	0	33	-2.0	-100.54	334.12	0.74	-99.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)C(C)=C1C(=O)[O-]	REAL300000314610	0	39	-2.0	-110.52	355.74	2.02	-108.50
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300000314611	0	36	-2.0	-111.31	347.67	1.31	-110.00
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)=C1	REAL300000314612	0	36	-2.0	-113.90	347.37	1.30	-112.60
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300000314613	0	39	-2.0	-111.60	356.33	1.80	-109.80
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300000314614	0	37	-2.0	-111.36	350.38	0.82	-110.54
CC1=CC(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)=CC=C1C(=O)[O-]	REAL300000314615	0	36	-2.0	-98.93	338.36	1.15	-97.78
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)N=C1	REAL300000314616	0	36	-2.0	-111.21	342.32	1.42	-109.79
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000314617	0	33	-2.0	-113.32	326.02	0.63	-112.69
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300000314618	0	36	-2.0	-102.79	347.30	1.29	-101.50
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000314619	0	32	-2.0	-109.13	318.57	-1.27	-110.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)N=C1	REAL300000314620	0	37	-2.0	-103.04	350.56	0.40	-102.64
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000314621	0	30	-2.0	-99.55	322.51	-0.42	-99.97
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000314622	0	40	-2.0	-106.24	368.48	2.49	-103.75
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000314623	0	40	-2.0	-108.35	367.80	2.49	-105.86
CCC1=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)N=C2)C=C(C(=O)[O-])O1	REAL300000314624	0	36	-2.0	-104.87	344.50	0.61	-104.26
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000314625	1	44	-2.0	-106.35	386.28	6.18	-100.17
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000314626	1	44	-2.0	-97.07	381.74	6.15	-90.92
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000314627	1	44	-2.0	-110.11	381.74	6.14	-103.97
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000314628	1	47	-2.0	-109.94	397.84	6.69	-103.25
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000314629	0	44	-2.0	-106.63	387.05	6.19	-100.44
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000314630	0	41	-2.0	-103.47	375.24	5.15	-98.32
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000314631	1	47	-2.0	-109.90	397.48	6.92	-102.98
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000314632	0	45	-2.0	-108.00	387.97	5.49	-102.51
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(NC(=O)C(C)C)=CC=C2C)=C1	REAL300000314633	0	44	-2.0	-100.51	390.68	5.80	-94.71
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000314634	0	41	-2.0	-104.45	372.98	5.17	-99.28
CC1=C(S(=O)(=O)[N-]C2=CC(NC(=O)C(C)C)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000314635	0	44	-2.0	-103.51	384.34	5.28	-98.23
CC1=C(S(=O)(=O)[N-]C2=CC(NC(=O)C(C)C)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000314636	1	44	-2.0	-106.52	391.27	6.01	-100.51
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000314637	1	44	-2.0	-96.19	385.85	6.18	-90.01
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000314638	0	41	-2.0	-99.02	374.31	5.26	-93.76
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000314639	1	44	-2.0	-99.89	388.15	6.21	-93.68
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000314640	0	44	-2.0	-96.72	387.51	6.21	-90.51
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000314641	0	45	-2.0	-108.99	391.75	3.85	-105.14
CC1=CC=C(NC(=O)C(C)C)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000314641	1	45	-2.0	-111.22	388.94	4.67	-106.55
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000314642	1	47	-2.0	-100.31	403.91	6.93	-93.38
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000314643	1	47	-2.0	-105.52	391.75	6.77	-98.75
CCN1C=C(S(=O)(=O)[N-]C2=CC(NC(=O)C(C)C)=CC=C2C)C=C1C(=O)[O-]	REAL300000314645	0	48	-2.0	-109.60	409.69	6.35	-103.25
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000314646	1	47	-2.0	-97.26	397.88	6.69	-90.57
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000314647	0	44	-2.0	-114.33	385.70	6.17	-108.16
CC1=CC=C(NC(=O)C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000314648	0	43	-2.0	-106.76	378.55	4.19	-102.57
CCC1=C(S(=O)(=O)[N-]C2=CC(NC(=O)C(C)C)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000314649	0	47	-2.0	-103.00	404.16	6.12	-96.88
N#CC1=CC=CN=C1OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000314650	0	39	-2.0	-103.35	372.79	5.76	-97.59
N#CC1=CC=CN=C1OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000314651	0	39	-2.0	-119.19	372.84	5.76	-113.43
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=NC=CC=C2C#N)C=C1C(=O)[O-]	REAL300000314652	0	40	-2.0	-117.04	379.44	5.11	-111.93
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=NC=CC=C2C#N)C=C(C(=O)[O-])O1	REAL300000314653	0	39	-2.0	-111.62	375.89	4.89	-106.73
N#CC1=CC=CN=C1OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000314654	0	38	-2.0	-111.34	369.04	3.87	-107.47
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2O1	REAL300000314655	1	37	-2.0	-103.41	338.44	5.31	-98.10
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2O1	REAL300000314657	1	37	-2.0	-105.35	333.89	5.28	-100.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)OC2=C1	REAL300000314658	0	41	-2.0	-110.82	362.08	5.07	-105.75
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2O1	REAL300000314659	1	41	-2.0	-93.20	365.34	6.57	-86.63
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2O1	REAL300000314661	0	37	-2.0	-100.90	346.97	5.85	-95.05
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2O1	REAL300000314662	1	37	-2.0	-101.69	346.42	5.67	-96.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)=C1C	REAL300000314663	1	43	-2.0	-108.25	366.33	6.58	-101.67
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2O1	REAL300000314664	0	37	-2.0	-102.27	339.38	5.34	-96.93
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2O1	REAL300000314665	1	43	-2.0	-92.31	377.46	6.87	-85.44
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2O1	REAL300000314666	0	34	-2.0	-100.09	327.12	4.28	-95.81
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)OC2=C1	REAL300000314667	1	40	-2.0	-106.42	349.37	6.05	-100.37
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)C=C1C(=O)[O-]	REAL300000314669	1	38	-2.0	-103.89	340.54	4.62	-99.27
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)=C1	REAL300000314671	0	37	-2.0	-96.05	343.06	4.96	-91.09
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2O1	REAL300000314673	0	34	-2.0	-101.52	325.54	4.31	-97.21
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)OC2=C1	REAL300000314675	1	46	-2.0	-108.09	387.80	7.28	-100.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)OC2=C1	REAL300000314676	1	43	-2.0	-104.48	364.03	6.99	-97.49
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)OC2=C1	REAL300000314677	0	44	-2.0	-111.63	384.37	5.84	-105.79
CC1(C)OC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C2O1	REAL300000314678	0	40	-2.0	-111.50	364.78	5.84	-105.66
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C2O1	REAL300000314678	1	39	-3.0	-180.04	362.29	5.84	-174.20
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2O1	REAL300000314679	1	44	-2.0	-109.94	378.13	7.17	-102.77
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)C=C(C(=O)[O-])O1	REAL300000314680	0	37	-2.0	-99.64	336.95	4.40	-95.24
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)=C1	REAL300000314681	0	41	-2.0	-106.68	362.93	4.36	-102.32
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)OC2=C1	REAL300000314683	1	40	-2.0	-96.86	354.61	6.10	-90.76
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=C2O1	REAL300000314684	1	41	-2.0	-91.48	371.19	5.63	-85.85
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)C=C(C(=O)[O-])S1	REAL300000314686	1	37	-2.0	-102.99	342.54	5.16	-97.83
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2O1	REAL300000314687	0	37	-2.0	-91.26	346.99	5.83	-85.43
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2O1	REAL300000314688	1	37	-2.0	-93.05	338.43	5.32	-87.73
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2O1	REAL300000314689	0	34	-2.0	-94.96	326.21	4.40	-90.56
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2O1	REAL300000314690	1	37	-2.0	-96.69	340.30	5.35	-91.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)=C1F	REAL300000314691	0	40	-2.0	-103.92	359.70	5.97	-97.95
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2O1	REAL300000314692	0	37	-2.0	-92.86	339.40	5.34	-87.52
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2O1	REAL300000314693	1	37	-2.0	-91.06	346.40	5.68	-85.38
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)OC2=C1	REAL300000314694	1	40	-2.0	-98.44	363.35	6.49	-91.95
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2O1	REAL300000314695	1	37	-2.0	-94.75	344.71	5.37	-89.38
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C2O1	REAL300000314696	1	39	-2.0	-90.66	362.08	5.95	-84.71
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2O1	REAL300000314697	0	38	-2.0	-105.21	343.65	2.98	-102.23
CC1(C)OC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2O1	REAL300000314697	1	38	-2.0	-104.66	332.61	3.89	-100.77
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2O1	REAL300000314698	1	40	-2.0	-96.56	356.06	6.06	-90.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)OC2=C1	REAL300000314699	1	40	-2.0	-102.07	344.01	5.91	-96.16
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)=CC(C(=O)[O-])=C1F	REAL300000314700	1	40	-2.0	-104.74	358.72	5.93	-98.81
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=C2O1	REAL300000314703	0	39	-2.0	-104.49	360.45	6.38	-98.11
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2O1	REAL300000314704	0	37	-2.0	-94.37	345.69	5.40	-88.97
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)C=C1C(=O)[O-]	REAL300000314706	0	40	-2.0	-104.54	359.20	5.98	-98.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)=C1Cl	REAL300000314707	0	40	-2.0	-102.92	365.70	6.41	-96.51
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)=C1	REAL300000314708	0	40	-2.0	-110.44	358.95	5.96	-104.48
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)OC2=C1	REAL300000314711	1	40	-2.0	-95.51	360.15	6.45	-89.06
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000314712	1	40	-2.0	-103.45	365.11	6.24	-97.21
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)C=C1C(=O)[O-]	REAL300000314713	1	41	-2.0	-105.12	361.91	5.49	-99.63
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)C=C1C(=O)[O-]	REAL300000314714	1	40	-2.0	-99.90	367.63	6.35	-93.55
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=C2O1	REAL300000314717	0	39	-2.0	-112.96	357.66	7.12	-105.84
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2O1	REAL300000314718	0	37	-2.0	-110.12	337.54	5.31	-104.81
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)C=C1C(=O)[O-]	REAL300000314719	1	40	-2.0	-98.14	358.83	5.96	-92.18
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C2O1	REAL300000314720	1	43	-2.0	-113.96	374.94	7.40	-106.56
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2O1	REAL300000314721	0	36	-2.0	-102.10	330.88	3.33	-98.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)OC2=C1	REAL300000314722	0	41	-2.0	-97.60	362.09	5.07	-92.53
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2O1	REAL300000314723	0	34	-2.0	-93.57	334.08	4.25	-89.32
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2O1	REAL300000314724	1	44	-2.0	-99.67	380.02	7.17	-92.50
CC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2O1	REAL300000314725	1	44	-2.0	-103.73	379.33	7.17	-96.56
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)OC3=C2)C=C(C(=O)[O-])O1	REAL300000314726	0	40	-2.0	-99.46	356.07	5.26	-94.20
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)NC(=O)NC1=O	REAL300000314728	1	40	-2.0	-111.23	361.79	2.05	-109.18
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)NC(=O)NC1=O	REAL300000314729	0	37	-2.0	-105.29	354.98	1.07	-104.22
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)NC(=O)NC3=O)=C2)C=C1C(=O)[O-]	REAL300000314730	0	41	-2.0	-109.40	368.44	1.41	-107.99
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)NC(=O)NC1=O	REAL300000314731	0	37	-2.0	-105.28	353.46	1.08	-104.20
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)NC(=O)NC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000314732	0	40	-2.0	-104.85	364.80	1.19	-103.66
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)NC(=O)NC1=O	REAL300000314733	0	37	-2.0	-99.29	354.07	1.19	-98.10
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)NC(=O)NC1=O	REAL300000314734	0	39	-2.0	-104.40	357.12	-0.20	-104.60
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCC(N)=O)C=C1	REAL300000314738	0	43	-2.0	-120.74	382.88	1.90	-118.84
NC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000314741	0	39	-2.0	-107.56	367.81	2.68	-104.88
NC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000314744	0	39	-2.0	-109.09	360.21	2.17	-106.92
NC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000314746	0	36	-2.0	-106.33	347.92	1.12	-105.21
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000314749	1	40	-2.0	-112.92	361.39	1.46	-111.46
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCCC(N)=O)C=C2)=C1	REAL300000314751	0	39	-2.0	-102.53	363.87	1.79	-100.74
NC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000314753	1	36	-2.0	-107.80	346.39	1.14	-106.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCCC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000314756	0	39	-2.0	-108.73	357.77	1.24	-107.49
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCCC(N)=O)C=C2)=C1	REAL300000314757	0	43	-2.0	-113.32	383.70	1.19	-112.13
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCC(N)=O)C=C1	REAL300000314758	1	42	-2.0	-106.44	375.44	2.92	-103.52
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCCC(N)=O)C=C2)C=C(C(=O)[O-])S1	REAL300000314759	1	39	-2.0	-112.43	363.36	1.99	-110.44
NC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000314760	1	39	-2.0	-97.32	367.79	2.67	-94.65
NC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000314762	0	36	-2.0	-103.58	347.00	1.23	-102.35
NC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000314763	1	39	-2.0	-102.94	361.14	2.17	-100.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCC(N)=O)C=C2)=C1F	REAL300000314764	0	42	-2.0	-110.52	380.49	2.81	-107.71
NC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000314765	0	39	-2.0	-99.00	360.20	2.18	-96.82
NC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000314767	0	40	-2.0	-115.28	364.45	-0.18	-115.46
NC(=O)CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000314767	1	40	-2.0	-110.60	363.64	0.61	-109.99
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000314774	0	42	-2.0	-110.21	376.21	2.71	-107.50
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCCC(N)=O)C=C2)=C1	REAL300000314775	0	42	-2.0	-117.07	379.75	2.80	-114.27
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000314777	1	43	-2.0	-114.13	382.76	2.33	-111.80
NC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000314780	0	39	-2.0	-118.07	358.39	2.13	-115.94
NC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000314782	0	38	-2.0	-109.68	350.95	0.22	-109.46
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCCC(N)=O)C=C1	REAL300000314783	0	43	-2.0	-106.22	382.94	1.90	-104.32
NC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000314784	0	36	-2.0	-102.32	354.89	1.08	-101.24
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCCC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000314785	0	42	-2.0	-108.81	376.86	2.10	-106.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2SC2=NNC=N2)C=C1	REAL300000314786	0	35	-2.0	-100.05	349.38	6.49	-93.56
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2SC2=NNC=N2)=C1	REAL300000314787	0	35	-2.0	-110.79	349.38	6.48	-104.31
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2SC2=NNC=N2)C=C1C(=O)[O-]	REAL300000314788	0	36	-2.0	-110.03	356.03	5.83	-104.20
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2SC2=NNC=N2)C=C(C(=O)[O-])O1	REAL300000314789	0	35	-2.0	-106.18	352.39	5.62	-100.56
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC=C2SC2=NNC=N2)=C1	REAL300000314790	0	34	-2.0	-110.42	345.59	4.60	-105.82
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000314791	1	35	-2.0	-103.14	341.16	-0.95	-104.09
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000314792	1	35	-2.0	-93.72	336.62	-0.97	-94.69
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000314793	1	35	-2.0	-104.76	336.62	-0.98	-105.74
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000314794	1	39	-2.0	-93.64	368.09	0.32	-93.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NS(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000314795	1	38	-2.0	-116.46	352.48	-0.44	-116.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(NS(N)(=O)=O)=C2)=C1C	REAL300000314796	1	41	-2.0	-116.41	369.30	0.37	-116.04
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000314797	0	35	-2.0	-102.31	342.09	-0.92	-103.23
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000314798	1	41	-2.0	-93.05	376.43	0.72	-92.33
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000314799	0	32	-2.0	-99.89	329.80	-1.97	-101.86
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NS(N)(=O)=O)=C1	REAL300000314800	1	38	-2.0	-114.22	352.05	-0.20	-114.42
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(NS(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000314801	0	36	-2.0	-113.11	343.27	-1.62	-114.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(NS(N)(=O)=O)=C2)=C1	REAL300000314802	0	35	-2.0	-96.11	345.72	-1.31	-97.42
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000314804	0	32	-2.0	-101.71	324.55	-1.83	-103.54
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NS(N)(=O)=O)=C1	REAL300000314805	1	41	-2.0	-104.99	366.79	0.74	-104.25
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NS(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000314806	0	35	-2.0	-99.77	339.65	-1.84	-101.61
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NS(N)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300000314807	0	35	-2.0	-102.80	346.31	-1.10	-103.90
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000314808	1	35	-2.0	-93.34	341.14	-0.94	-94.28
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000314809	0	32	-2.0	-94.95	328.89	-1.86	-96.81
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000314810	1	35	-2.0	-96.41	343.03	-0.91	-97.32
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000314811	0	35	-2.0	-92.81	342.08	-0.91	-93.72
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000314812	0	36	-2.0	-105.43	346.32	-3.26	-108.69
NS(=O)(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000314812	1	36	-2.0	-102.61	331.58	-2.27	-104.88
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000314813	1	38	-2.0	-97.08	355.02	-0.08	-97.16
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(NS(N)(=O)=O)=C1	REAL300000314814	1	38	-2.0	-101.33	346.51	-0.33	-101.66
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NS(N)(=O)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000314816	1	41	-2.0	-118.83	369.33	0.09	-118.74
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NS(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000314818	1	41	-2.0	-106.67	370.94	0.20	-106.47
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(NS(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000314819	0	39	-2.0	-115.27	364.75	-0.77	-116.04
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NS(N)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000314820	1	38	-2.0	-93.20	352.47	-0.43	-93.63
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000314821	0	35	-2.0	-108.69	340.27	-0.94	-109.63
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000314822	0	34	-2.0	-102.61	333.60	-2.93	-105.54
NS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000314823	0	32	-2.0	-94.02	336.77	-1.99	-96.01
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(NS(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000314824	0	38	-2.0	-99.99	354.64	-0.87	-100.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCCC3=O)C=C2)C=C1	REAL300000314825	1	41	-2.0	-108.89	369.21	6.14	-102.75
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCCC3=O)C=C2)=C1	REAL300000314826	1	41	-2.0	-122.28	369.23	6.13	-116.15
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCCC3=O)C=C2)=C1	REAL300000314827	0	38	-2.0	-116.18	362.41	5.15	-111.03
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCCC3=O)C=C2)C=C1C(=O)[O-]	REAL300000314828	0	42	-2.0	-120.46	375.88	5.49	-114.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCCC3=O)C=C2)=CS1	REAL300000314829	0	38	-2.0	-117.79	360.88	5.16	-112.63
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCCC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000314830	0	41	-2.0	-115.60	372.27	5.27	-110.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCCC3=O)C=C2)S1	REAL300000314831	0	38	-2.0	-110.91	361.49	5.25	-105.66
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCCC3=O)C=C2)=C1	REAL300000314832	0	40	-2.0	-119.91	365.45	4.26	-115.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=CC=C1F	REAL300000314833	1	35	-2.0	-111.53	328.56	6.24	-105.29
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=N2)=C1	REAL300000314834	0	43	-2.0	-111.45	383.69	7.30	-104.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1	REAL300000314835	1	35	-2.0	-101.63	324.00	6.22	-95.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314836	1	35	-2.0	-114.11	324.07	6.21	-107.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=N2)=C1	REAL300000314837	0	39	-2.0	-118.51	352.21	6.01	-112.50
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1	REAL300000314838	1	39	-2.0	-100.75	355.48	7.50	-93.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000314839	1	38	-2.0	-115.39	340.03	6.74	-108.65
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314840	0	35	-2.0	-108.64	337.14	6.78	-101.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=CC=C1Cl	REAL300000314841	1	35	-2.0	-109.94	336.54	6.60	-103.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1C	REAL300000314842	1	41	-2.0	-115.88	356.75	7.56	-108.32
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314843	0	35	-2.0	-110.63	329.55	6.27	-104.36
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1	REAL300000314844	1	41	-2.0	-99.83	367.59	7.79	-92.04
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314845	0	32	-2.0	-108.39	317.25	5.22	-103.17
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=N2)=C1	REAL300000314846	1	38	-2.0	-113.81	339.44	6.99	-106.82
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000314848	0	36	-2.0	-112.50	330.72	5.56	-106.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314850	0	35	-2.0	-104.57	333.19	5.90	-98.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=CS1	REAL300000314852	0	32	-2.0	-109.86	315.72	5.24	-104.62
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314854	1	45	-2.0	-117.75	379.26	8.82	-108.93
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=N2)=C1	REAL300000314855	1	44	-2.0	-115.75	377.97	8.21	-107.54
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=N2)=C1	REAL300000314856	1	41	-2.0	-111.70	354.16	7.93	-103.77
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=N2)=C1	REAL300000314857	0	42	-2.0	-117.85	374.50	6.78	-111.07
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314858	0	38	-2.0	-114.21	354.94	6.78	-107.43
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314858	1	37	-3.0	-191.09	352.48	6.78	-184.31
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314859	1	42	-2.0	-117.97	368.31	8.11	-109.86
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000314860	0	35	-2.0	-107.06	327.08	5.35	-101.71
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314861	0	39	-2.0	-116.74	352.99	5.30	-111.44
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4C=CC=N4)=C3)C=C2C1	REAL300000314862	1	43	-2.0	-100.14	376.94	6.80	-93.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C(Cl)C=C1F	REAL300000314863	0	35	-2.0	-105.33	341.60	6.80	-98.53
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=N2)=C1	REAL300000314865	1	38	-2.0	-104.59	344.72	7.03	-97.56
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1F	REAL300000314866	1	39	-2.0	-98.92	361.30	6.55	-92.37
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C(C(=O)[O-])S1	REAL300000314868	0	35	-2.0	-110.26	332.66	6.10	-104.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C(Cl)=C1	REAL300000314869	0	35	-2.0	-99.04	337.12	6.77	-92.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1F	REAL300000314870	1	35	-2.0	-101.10	328.52	6.25	-94.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)S1	REAL300000314871	0	32	-2.0	-103.29	316.34	5.34	-97.95
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314872	1	35	-2.0	-104.93	330.47	6.28	-98.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1F	REAL300000314873	0	38	-2.0	-112.19	349.78	6.91	-105.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C(F)=C1	REAL300000314874	0	35	-2.0	-101.25	329.53	6.28	-94.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1Cl	REAL300000314875	1	35	-2.0	-99.16	336.49	6.61	-92.55
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=N2)=C1	REAL300000314876	1	38	-2.0	-106.17	353.45	7.42	-98.75
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1	REAL300000314877	1	43	-2.0	-97.37	387.75	7.62	-89.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=CC(F)=C1F	REAL300000314878	1	35	-2.0	-103.09	334.89	6.30	-96.79
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314879	0	37	-2.0	-99.03	352.26	6.88	-92.15
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314880	0	36	-2.0	-112.12	333.77	3.93	-108.19
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314880	1	36	-2.0	-109.12	322.80	4.81	-104.31
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1	REAL300000314881	1	38	-2.0	-104.41	346.20	6.99	-97.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=CC(Cl)=C1F	REAL300000314882	1	35	-2.0	-104.55	344.77	6.74	-97.81
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=N2)=C1	REAL300000314883	1	38	-2.0	-111.26	334.11	6.85	-104.41
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=CC(C(=O)[O-])=C1F	REAL300000314884	1	38	-2.0	-112.98	348.86	6.86	-106.12
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=CC(C(=O)[O-])=C1C	REAL300000314886	1	41	-2.0	-117.30	356.89	7.28	-110.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300000314887	0	37	-2.0	-112.46	350.59	7.30	-105.16
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314888	0	35	-2.0	-102.48	335.82	6.34	-96.14
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000314890	0	38	-2.0	-113.03	349.33	6.91	-106.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1Cl	REAL300000314891	0	38	-2.0	-110.55	355.75	7.35	-103.20
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314892	0	38	-2.0	-120.39	349.10	6.90	-113.49
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000314893	1	41	-2.0	-116.14	358.24	7.40	-108.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1CC(=O)[O-]	REAL300000314894	1	42	-2.0	-114.88	374.48	6.34	-108.54
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=N2)=C1	REAL300000314895	1	38	-2.0	-104.14	350.27	7.38	-96.76
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000314896	1	38	-2.0	-111.78	355.25	7.17	-104.61
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000314897	0	39	-2.0	-113.89	352.03	6.43	-107.46
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000314899	1	38	-2.0	-108.87	357.81	7.28	-101.59
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=CC=C1C(=O)[O-]	REAL300000314900	1	38	-2.0	-101.71	340.07	6.76	-94.95
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=N2)=C1	REAL300000314901	1	38	-2.0	-111.39	343.54	7.05	-104.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1[N+](=O)[O-]	REAL300000314902	0	37	-2.0	-122.82	347.79	8.06	-114.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1F	REAL300000314903	0	35	-2.0	-119.56	327.67	6.24	-113.32
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000314904	1	38	-2.0	-106.96	349.01	6.89	-100.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=CC2=CC=CC=C21	REAL300000314905	1	41	-2.0	-122.70	365.11	8.33	-114.37
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300000314906	0	34	-2.0	-110.12	320.99	4.26	-105.86
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=N2)=C1	REAL300000314907	0	39	-2.0	-105.75	352.21	6.00	-99.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)=C(Cl)O1	REAL300000314908	0	32	-2.0	-101.31	324.21	5.20	-96.11
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4C=CC=N4)=C3)C=C2)CC1	REAL300000314909	1	42	-2.0	-107.66	370.14	8.10	-99.56
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4C=CC=N4)=C3)C=C2C1	REAL300000314910	1	42	-2.0	-113.08	369.51	8.10	-104.98
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000314911	0	38	-2.0	-106.62	346.20	6.20	-100.42
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NO1	REAL300000314912	0	36	-2.0	-113.85	340.02	4.71	-109.14
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NO1	REAL300000314913	0	36	-2.0	-103.55	335.46	4.69	-98.86
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NO1	REAL300000314914	0	36	-2.0	-116.78	335.48	4.68	-112.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NOC(C)=N1	REAL300000314915	0	40	-2.0	-121.31	363.63	4.48	-116.83
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NO1	REAL300000314916	0	40	-2.0	-102.24	366.93	5.98	-96.26
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NO1	REAL300000314917	0	39	-2.0	-118.10	351.50	5.22	-112.88
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=NO1	REAL300000314918	0	42	-2.0	-118.19	367.87	5.98	-112.21
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NO1	REAL300000314919	0	36	-2.0	-113.70	340.96	4.75	-108.95
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NO1	REAL300000314920	0	42	-2.0	-101.73	379.05	6.27	-95.46
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NO1	REAL300000314921	0	33	-2.0	-110.85	328.67	3.70	-107.15
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NO1	REAL300000314922	0	39	-2.0	-116.18	350.91	5.46	-110.72
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NO1	REAL300000314923	1	40	-2.0	-100.96	366.55	4.97	-95.99
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NO1	REAL300000314924	0	37	-2.0	-114.88	342.13	4.04	-110.84
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NO1	REAL300000314925	1	40	-2.0	-116.30	359.68	3.49	-112.81
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NO1	REAL300000314926	0	36	-2.0	-106.86	344.62	4.37	-102.49
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=NO1	REAL300000314927	1	42	-2.0	-117.55	366.93	5.99	-111.56
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NO1	REAL300000314928	0	33	-2.0	-112.20	327.13	3.72	-108.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C)=N2)C=C1C(=O)[O-]	REAL300000314929	1	40	-2.0	-122.50	362.77	4.76	-117.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NOC(C)=N1	REAL300000314930	0	42	-2.0	-113.41	360.71	6.53	-106.88
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=NO1	REAL300000314931	0	43	-2.0	-120.99	379.73	6.57	-114.42
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NO1	REAL300000314932	0	36	-2.0	-109.35	338.49	3.83	-105.52
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=NO1	REAL300000314933	0	40	-2.0	-118.35	364.40	3.78	-114.57
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NO1	REAL300000314934	0	39	-2.0	-106.95	356.19	5.49	-101.46
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NO1	REAL300000314935	0	36	-2.0	-112.53	344.11	4.58	-107.95
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NO1	REAL300000314936	0	36	-2.0	-100.70	348.53	5.25	-95.45
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NO1	REAL300000314937	0	36	-2.0	-102.94	340.02	4.73	-98.21
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NO1	REAL300000314938	0	33	-2.0	-105.54	327.74	3.81	-101.73
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NO1	REAL300000314939	0	36	-2.0	-107.51	341.89	4.75	-102.76
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=NO1	REAL300000314940	0	39	-2.0	-115.34	361.24	5.39	-109.95
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NO1	REAL300000314941	0	36	-2.0	-103.36	340.94	4.76	-98.60
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NO1	REAL300000314942	0	36	-2.0	-101.08	347.99	5.10	-95.98
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NO1	REAL300000314943	0	37	-2.0	-114.54	345.20	2.41	-112.13
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NO1	REAL300000314944	0	39	-2.0	-106.92	357.65	5.46	-101.46
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NO1	REAL300000314945	0	39	-2.0	-112.98	345.52	5.30	-107.68
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=NO1	REAL300000314946	0	39	-2.0	-115.44	360.32	5.34	-110.10
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NO1	REAL300000314947	1	39	-2.0	-103.15	350.89	5.46	-97.69
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=NO1	REAL300000314948	0	42	-2.0	-121.40	372.98	5.87	-115.53
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NO1	REAL300000314949	0	36	-2.0	-105.49	347.22	4.81	-100.68
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NO1	REAL300000314950	1	42	-2.0	-117.18	369.96	6.06	-111.12
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=NO1	REAL300000314951	0	39	-2.0	-116.07	360.79	5.39	-110.68
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=NO1	REAL300000314952	0	39	-2.0	-122.51	360.49	5.38	-117.13
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C)=N2)C=C1C(=O)[O-]	REAL300000314953	0	42	-2.0	-118.78	369.80	5.87	-112.91
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C)=N2)C=C1C(=O)[O-]	REAL300000314954	0	40	-2.0	-116.23	363.50	4.90	-111.33
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NO1	REAL300000314955	0	39	-2.0	-103.80	351.49	5.23	-98.57
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NO1	REAL300000314956	0	39	-2.0	-113.53	355.01	5.52	-108.01
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NO1	REAL300000314957	0	36	-2.0	-121.48	339.12	4.71	-116.77
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NO1	REAL300000314958	0	39	-2.0	-109.42	360.44	5.36	-104.06
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NO1	REAL300000314959	0	35	-2.0	-114.95	331.69	2.81	-112.14
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NOC(C)=N1	REAL300000314960	0	40	-2.0	-107.56	363.69	4.48	-103.08
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NO1	REAL300000314961	0	33	-2.0	-103.75	335.58	3.67	-100.08
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=NO1	REAL300000314962	0	43	-2.0	-109.74	381.61	6.57	-103.17
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=NO1	REAL300000314963	0	43	-2.0	-113.58	379.57	6.56	-107.02
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C)=N2)C=C(C(=O)[O-])O1	REAL300000314964	0	39	-2.0	-108.14	353.60	4.80	-103.34
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000314966	0	38	-2.0	-138.92	345.72	8.91	-130.01
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000314967	0	37	-2.0	-120.01	349.08	7.26	-112.75
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000314968	1	39	-2.0	-125.90	358.05	9.01	-116.89
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1	REAL300000314969	1	39	-2.0	-121.32	358.03	9.01	-112.31
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1	REAL300000314970	0	41	-2.0	-104.94	363.77	9.13	-95.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1	REAL300000314970	1	40	-3.0	-193.24	365.66	9.19	-184.05
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000314971	1	45	-2.0	-134.57	382.74	10.53	-124.04
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000314972	0	40	-2.0	-120.34	350.29	7.58	-112.76
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000314973	0	41	-2.0	-121.32	363.92	9.11	-112.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000314973	1	40	-3.0	-209.76	365.68	9.18	-200.58
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000314974	1	38	-2.0	-119.40	349.91	8.74	-110.66
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000314975	1	41	-2.0	-132.66	358.64	9.29	-123.37
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000314977	1	38	-2.0	-127.09	353.94	9.14	-117.95
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1	REAL300000314978	1	43	-2.0	-129.31	379.97	9.11	-120.20
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000314979	1	44	-2.0	-131.62	374.11	10.07	-121.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1C	REAL300000314980	1	44	-2.0	-134.00	375.63	9.83	-124.17
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000314981	1	43	-2.0	-141.58	378.48	9.02	-132.56
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1	REAL300000314983	1	47	-2.0	-131.38	397.46	10.55	-120.83
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000314984	0	35	-2.0	-122.24	346.18	8.24	-114.00
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1	REAL300000314985	1	47	-2.0	-130.94	401.61	10.84	-120.10
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000314986	0	42	-2.0	-137.97	365.47	8.41	-129.56
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000314987	0	38	-2.0	-131.08	350.35	9.18	-121.90
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000314988	0	40	-2.0	-126.90	365.43	9.29	-117.61
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000314989	0	35	-2.0	-128.65	329.14	7.63	-121.02
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000314991	0	40	-2.0	-143.69	358.31	10.05	-133.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1	REAL300000314992	1	41	-2.0	-131.95	358.63	9.30	-122.65
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000314994	0	38	-2.0	-126.81	349.12	8.75	-118.06
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000314995	1	38	-2.0	-127.27	343.62	8.69	-118.58
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000314996	0	38	-2.0	-120.41	350.03	8.76	-111.65
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000314998	1	38	-2.0	-123.67	353.95	9.14	-114.53
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000314999	0	40	-2.0	-117.17	365.44	9.29	-107.88
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000315000	1	38	-2.0	-131.47	337.20	8.62	-122.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])S1	REAL300000315001	0	38	-2.0	-130.32	351.04	8.42	-121.90
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000315002	0	38	-2.0	-129.62	349.11	8.75	-120.87
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1	REAL300000315003	1	42	-2.0	-128.94	377.41	9.65	-119.29
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315004	0	44	-2.0	-129.51	373.91	7.66	-121.85
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1	REAL300000315005	1	42	-2.0	-129.24	371.72	5.40	-123.84
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1	REAL300000315006	1	44	-2.0	-131.30	380.11	10.06	-121.24
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000315007	1	38	-2.0	-122.77	343.63	8.69	-114.08
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000315008	0	38	-2.0	-136.56	342.69	8.69	-127.87
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315009	1	41	-2.0	-121.85	359.10	9.47	-112.38
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1Cl	REAL300000315010	0	38	-2.0	-137.73	354.68	8.19	-129.54
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1C(N)=O	REAL300000315011	0	43	-2.0	-127.62	379.16	4.79	-122.83
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=N1	REAL300000315013	0	38	-2.0	-126.91	341.76	6.34	-120.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1F	REAL300000315014	1	41	-2.0	-128.09	363.94	9.33	-118.76
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315015	0	41	-2.0	-137.17	364.11	9.35	-127.82
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315016	1	41	-2.0	-125.31	359.10	9.47	-115.84
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315018	0	42	-2.0	-130.40	368.40	6.99	-123.41
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000315019	0	35	-2.0	-123.49	318.79	5.02	-118.47
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000315020	0	41	-2.0	-152.50	365.40	7.83	-144.67
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000315021	0	37	-2.0	-120.50	338.63	6.91	-113.59
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315022	0	38	-2.0	-138.90	341.23	7.72	-131.18
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000315023	0	38	-2.0	-134.70	348.98	8.75	-125.95
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=CN1C	REAL300000315024	0	41	-2.0	-144.88	360.91	7.50	-137.38
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=N1	REAL300000315025	0	41	-2.0	-127.26	363.29	7.19	-120.07
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315026	1	45	-2.0	-133.00	392.28	8.34	-124.66
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000315027	1	43	-2.0	-130.16	373.19	7.92	-122.24
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315028	0	38	-2.0	-124.56	337.60	5.67	-118.89
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315029	1	42	-2.0	-133.59	366.71	7.92	-125.67
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315030	1	41	-2.0	-130.47	352.69	9.40	-121.07
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=N1	REAL300000315031	0	38	-2.0	-139.36	342.23	6.15	-133.21
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315032	0	38	-2.0	-122.20	337.45	6.26	-115.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C(F)=C1	REAL300000315036	0	41	-2.0	-136.53	364.12	9.36	-127.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=CC=C1F	REAL300000315037	1	41	-2.0	-123.87	363.93	9.32	-114.55
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000315038	0	35	-2.0	-136.28	318.52	6.02	-130.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])SC=C1	REAL300000315040	0	38	-2.0	-130.18	345.44	8.44	-121.74
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1C	REAL300000315041	0	47	-2.0	-129.78	395.72	8.53	-121.25
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315042	1	42	-2.0	-123.68	373.48	9.80	-113.88
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315043	1	42	-2.0	-120.45	373.46	9.79	-110.66
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C(F)=C1	REAL300000315044	0	39	-2.0	-125.35	363.51	9.08	-116.27
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=N1	REAL300000315045	0	44	-2.0	-128.06	381.97	7.71	-120.35
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=CN1	REAL300000315046	0	44	-2.0	-142.37	381.18	7.06	-135.31
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=CC(C)=C1F	REAL300000315049	1	44	-2.0	-125.10	384.25	9.96	-115.14
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315050	0	47	-2.0	-138.90	401.76	9.88	-129.02
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315051	1	41	-2.0	-127.11	357.59	9.45	-117.66
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])S1	REAL300000315052	0	40	-2.0	-127.06	361.48	7.23	-119.83
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1	REAL300000315053	1	42	-2.0	-133.98	379.47	9.80	-124.18
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315054	1	44	-2.0	-133.00	380.10	10.05	-122.95
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315055	1	41	-2.0	-127.83	365.04	9.36	-118.47
COC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])SC=C1	REAL300000315056	0	39	-2.0	-136.60	359.38	6.92	-129.68
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000315057	0	41	-2.0	-134.76	366.98	9.02	-125.74
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315058	0	38	-2.0	-119.44	352.19	7.57	-111.87
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])N=C1Cl	REAL300000315059	0	38	-2.0	-138.67	357.56	7.44	-131.23
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000315060	0	39	-2.0	-137.01	353.05	7.37	-129.64
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])S1	REAL300000315061	0	37	-2.0	-126.44	345.74	6.45	-119.99
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315063	0	44	-2.0	-138.85	382.65	9.01	-129.84
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315065	0	44	-2.0	-138.12	384.53	9.38	-128.74
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1F	REAL300000315066	0	41	-2.0	-138.20	363.02	9.34	-128.86
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=N1	REAL300000315067	0	44	-2.0	-123.51	386.24	6.25	-117.26
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000315068	0	45	-2.0	-146.40	383.16	8.65	-137.75
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1	REAL300000315069	1	45	-2.0	-130.49	392.28	8.36	-122.13
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315070	0	43	-2.0	-130.08	376.48	5.61	-124.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C(C)O1	REAL300000315072	0	41	-2.0	-127.49	360.16	8.20	-119.29
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315073	1	45	-2.0	-130.21	383.83	8.66	-121.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])O1	REAL300000315074	0	38	-2.0	-130.81	341.81	7.45	-123.36
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315075	0	41	-2.0	-131.84	370.85	9.04	-122.80
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000315076	1	41	-2.0	-126.36	363.25	7.28	-119.08
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000315077	0	37	-2.0	-120.79	348.98	7.33	-113.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])N=C1C	REAL300000315078	0	44	-2.0	-141.75	382.82	8.41	-133.34
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])S1	REAL300000315079	0	40	-2.0	-126.14	367.22	7.21	-118.93
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000315080	0	41	-2.0	-141.52	365.14	8.94	-132.58
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315082	0	42	-2.0	-136.63	373.29	9.69	-126.94
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315083	1	47	-2.0	-132.47	390.44	10.60	-121.87
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000315084	0	35	-2.0	-129.02	319.89	6.62	-122.40
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315085	0	37	-2.0	-117.20	331.62	5.05	-112.15
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000315086	0	42	-2.0	-136.02	365.34	8.05	-127.97
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315087	1	44	-2.0	-124.84	362.86	10.16	-114.68
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315089	0	41	-2.0	-135.39	356.81	9.60	-125.79
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315090	0	41	-2.0	-127.37	361.80	6.10	-121.27
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315091	1	42	-2.0	-135.12	361.90	9.95	-125.17
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315092	1	42	-2.0	-133.60	379.47	9.79	-123.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C(N)=NO1	REAL300000315094	0	39	-2.0	-120.06	344.75	6.00	-114.06
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315095	1	45	-2.0	-131.82	382.17	8.71	-123.11
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])S1	REAL300000315097	0	36	-2.0	-119.05	349.72	8.18	-110.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=N1	REAL300000315098	0	40	-2.0	-127.96	353.82	7.46	-120.50
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=CC=C1C#N	REAL300000315099	1	42	-2.0	-121.39	377.19	9.51	-111.88
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])N(C)N=C1	REAL300000315102	0	41	-2.0	-123.43	354.07	7.09	-116.34
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])O1	REAL300000315103	0	36	-2.0	-120.55	341.14	7.17	-113.38
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000315104	0	35	-2.0	-126.42	328.31	7.53	-118.89
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000315105	0	35	-2.0	-126.73	319.74	6.51	-120.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=N1	REAL300000315106	0	41	-2.0	-123.37	364.39	5.31	-118.06
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000315107	0	41	-2.0	-135.36	363.81	7.26	-128.10
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315108	1	45	-2.0	-133.91	388.56	8.85	-125.06
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000315109	0	35	-2.0	-125.72	345.19	8.07	-117.65
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315110	0	38	-2.0	-129.26	350.78	8.28	-120.98
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000315111	0	35	-2.0	-124.67	335.50	5.43	-119.24
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000315112	0	37	-2.0	-125.34	344.13	6.74	-118.60
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315113	0	37	-2.0	-122.37	345.70	6.92	-115.45
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000315115	1	45	-2.0	-131.36	386.43	10.73	-120.63
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000315116	0	35	-2.0	-127.52	335.49	7.66	-119.86
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1F	REAL300000315117	1	39	-2.0	-117.70	363.92	9.06	-108.64
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315119	1	38	-2.0	-156.48	342.56	4.56	-151.92
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000315120	0	35	-2.0	-134.80	318.83	5.20	-129.60
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000315121	0	43	-2.0	-135.64	374.20	5.54	-130.10
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])S1	REAL300000315122	0	41	-2.0	-132.91	368.66	9.16	-123.75
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=NN1C	REAL300000315123	0	41	-2.0	-126.06	357.88	6.86	-119.20
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1	REAL300000315124	1	42	-2.0	-131.92	368.30	9.71	-122.21
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315125	0	41	-2.0	-128.41	360.59	6.98	-121.43
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000315126	1	43	-2.0	-134.10	373.01	8.46	-125.64
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000315127	0	43	-2.0	-142.76	373.52	8.46	-134.30
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315132	0	37	-2.0	-119.45	334.16	6.58	-112.87
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315133	1	43	-2.0	-148.38	378.74	4.57	-143.81
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000315134	0	37	-2.0	-134.21	337.72	6.81	-127.40
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000315136	0	37	-2.0	-118.91	338.62	6.78	-112.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315142	0	39	-3.0	-208.08	361.89	7.32	-200.76
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315143	0	39	-2.0	-119.10	364.47	9.08	-110.02
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000315144	0	40	-2.0	-142.53	360.38	7.82	-134.71
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000315144	1	40	-2.0	-129.12	360.48	7.67	-121.45
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300000315145	0	42	-2.0	-140.22	370.95	8.60	-131.62
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000315146	0	39	-2.0	-123.50	353.39	6.38	-117.12
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000315146	1	39	-2.0	-109.80	347.14	7.23	-102.57
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315147	0	44	-2.0	-125.22	376.28	7.68	-117.54
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=N1	REAL300000315148	0	38	-2.0	-121.98	342.42	5.98	-116.00
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315149	0	38	-2.0	-119.33	356.46	4.42	-114.91
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000315150	0	34	-2.0	-121.60	323.95	6.33	-115.27
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315151	1	47	-2.0	-124.54	384.46	10.93	-113.61
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1F	REAL300000315152	0	39	-2.0	-133.46	363.04	9.04	-124.42
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000315153	0	45	-2.0	-128.57	387.11	8.30	-120.27
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000315154	0	45	-2.0	-126.13	384.50	8.53	-117.60
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000315155	0	45	-2.0	-131.71	380.12	8.69	-123.02
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315156	0	41	-2.0	-126.61	360.11	9.33	-117.28
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000315157	0	35	-2.0	-126.28	342.64	8.06	-118.22
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000315158	1	39	-2.0	-118.09	352.09	7.40	-110.69
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315159	0	45	-2.0	-124.88	389.15	8.35	-116.53
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C21	REAL300000315160	0	41	-2.0	-134.52	366.98	8.91	-125.61
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000315161	0	45	-2.0	-130.98	392.51	8.55	-122.43
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=CN=C1N	REAL300000315162	1	42	-2.0	-130.31	365.22	6.34	-123.97
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315163	0	38	-2.0	-127.48	354.51	4.49	-122.99
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])N=CN1	REAL300000315164	0	38	-2.0	-138.10	336.32	6.73	-131.37
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000315166	0	35	-2.0	-125.72	343.01	8.16	-117.56
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000315167	0	42	-2.0	-134.97	375.33	9.73	-125.24
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315168	1	47	-2.0	-133.13	401.60	10.83	-122.30
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315169	0	45	-2.0	-129.61	382.90	8.16	-121.45
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315170	1	44	-2.0	-130.34	366.87	10.26	-120.08
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315171	0	47	-2.0	-122.28	384.25	8.52	-113.76
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=N1	REAL300000315172	0	47	-2.0	-129.15	401.70	8.34	-120.81
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000315173	0	45	-2.0	-129.03	385.79	7.72	-121.31
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000315174	1	41	-2.0	-129.56	365.21	9.44	-120.12
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315175	0	41	-2.0	-123.46	358.38	6.90	-116.56
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1C	REAL300000315177	1	44	-2.0	-131.70	369.70	9.94	-121.76
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000315178	1	45	-2.0	-133.32	386.44	10.73	-122.59
COC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=CS1	REAL300000315179	0	39	-2.0	-133.78	359.48	7.08	-126.70
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315180	0	47	-2.0	-126.21	397.17	8.51	-117.70
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])O1	REAL300000315181	0	41	-2.0	-130.81	363.29	8.23	-122.58
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])S1	REAL300000315182	0	39	-2.0	-126.88	361.00	7.07	-119.81
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000315183	0	41	-2.0	-124.12	369.88	7.32	-116.80
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000315184	1	41	-2.0	-130.46	357.78	9.59	-120.87
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000315185	0	41	-2.0	-137.35	364.22	9.00	-128.35
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=N1	REAL300000315186	0	40	-2.0	-127.91	357.92	5.49	-122.42
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000315187	0	35	-2.0	-123.56	336.96	7.25	-116.31
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000315189	0	42	-2.0	-131.38	381.03	9.94	-121.44
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315190	0	38	-2.0	-129.85	341.80	7.30	-122.55
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1Cl	REAL300000315191	0	38	-2.0	-122.90	357.07	6.69	-116.21
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])OC=C1	REAL300000315192	0	36	-2.0	-126.73	341.37	7.07	-119.66
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000315193	0	35	-2.0	-125.20	335.98	7.13	-118.07
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000315194	0	35	-2.0	-123.13	346.02	8.14	-114.99
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000315195	1	45	-2.0	-133.52	380.76	10.79	-122.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C(C)=N1	REAL300000315197	1	44	-2.0	-122.89	380.05	6.06	-116.83
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315198	0	44	-2.0	-135.62	384.62	6.45	-129.17
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=C1C	REAL300000315199	0	44	-2.0	-124.88	384.52	6.04	-118.84
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=N1	REAL300000315200	0	47	-2.0	-126.93	400.17	8.77	-118.16
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315201	0	47	-2.0	-129.26	400.82	8.36	-120.90
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=CO1	REAL300000315202	0	36	-2.0	-129.82	340.17	7.03	-122.79
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])SC=C1	REAL300000315203	0	36	-2.0	-125.06	349.26	7.97	-117.09
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315204	0	44	-2.0	-124.79	378.91	7.89	-116.90
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000315205	0	45	-2.0	-123.97	389.41	8.76	-115.21
COC1=NOC(CS(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315206	1	41	-2.0	-120.73	368.27	4.96	-115.77
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])C=NN1C(C)C	REAL300000315207	0	47	-2.0	-127.23	400.30	8.43	-118.80
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000315209	1	39	-2.0	-132.11	348.23	5.77	-126.34
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000315210	0	34	-2.0	-119.39	322.86	6.23	-113.16
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000315211	0	34	-2.0	-124.47	323.79	5.75	-118.72
O=C([O-])C1=CC(C2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000315212	0	45	-2.0	-129.67	382.94	7.94	-121.73
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000315213	0	41	-2.0	-137.17	364.11	9.35	-127.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2OC(F)F)C=C1	REAL300000315214	0	34	-2.0	-95.39	332.85	5.30	-90.09
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2OC(F)F)=C1	REAL300000315215	0	34	-2.0	-107.86	332.86	5.30	-102.56
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2OC(F)F)=C1	REAL300000315216	0	31	-2.0	-102.10	326.05	4.31	-97.79
CN1C=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000315217	0	35	-2.0	-106.00	339.51	4.64	-101.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2OC(F)F)=CS1	REAL300000315218	0	31	-2.0	-103.56	324.52	4.33	-99.23
CC1=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000315219	0	34	-2.0	-102.62	335.87	4.43	-98.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2OC(F)F)S1	REAL300000315220	0	31	-2.0	-97.06	325.12	4.42	-92.64
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2OC(F)F)=C1	REAL300000315221	0	33	-2.0	-106.53	329.84	3.36	-103.17
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000315222	1	38	-2.0	-108.38	346.49	4.68	-103.70
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000315223	1	38	-2.0	-97.82	341.65	4.67	-93.15
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000315224	1	38	-2.0	-109.57	341.95	4.65	-104.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(NC(C)=O)=CC=C1C	REAL300000315225	0	42	-2.0	-115.44	369.52	4.48	-110.96
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000315226	1	42	-2.0	-97.48	373.38	5.95	-91.53
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000315227	1	41	-2.0	-111.82	357.78	5.20	-106.62
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000315228	0	38	-2.0	-105.30	355.01	5.22	-100.08
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000315229	1	38	-2.0	-106.66	354.46	5.05	-101.61
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000315230	1	44	-2.0	-112.53	374.61	6.00	-106.53
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000315231	0	38	-2.0	-106.96	347.42	4.71	-102.25
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000315232	1	44	-2.0	-96.62	385.23	6.27	-90.35
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000315233	0	35	-2.0	-104.12	334.84	3.68	-100.44
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000315234	1	41	-2.0	-110.39	357.36	5.45	-104.94
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000315236	0	39	-2.0	-108.14	348.59	4.00	-104.14
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000315238	0	38	-2.0	-100.88	351.03	4.34	-96.54
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000315240	0	35	-2.0	-106.41	333.60	3.68	-102.73
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000315242	1	47	-2.0	-112.49	395.55	6.68	-105.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(NC(C)=O)=CC=C1C	REAL300000315243	1	44	-2.0	-108.76	371.15	6.37	-102.39
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(NC(C)=O)=CC=C1C	REAL300000315244	0	45	-2.0	-115.94	392.08	5.25	-110.69
CC(=O)NC1=CC=C(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000315245	0	41	-2.0	-115.08	368.32	5.19	-109.89
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000315245	1	40	-3.0	-184.50	369.78	5.25	-179.25
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000315246	1	45	-2.0	-115.24	385.90	6.58	-108.66
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000315247	0	38	-2.0	-104.03	344.39	3.82	-100.21
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000315248	0	42	-2.0	-111.77	370.57	3.76	-108.01
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000315250	1	41	-2.0	-101.21	362.36	5.49	-95.72
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000315251	1	42	-2.0	-95.73	378.96	5.01	-90.72
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000315253	1	38	-2.0	-106.78	351.62	4.54	-102.24
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000315254	0	38	-2.0	-95.49	354.98	5.22	-90.27
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000315255	1	38	-2.0	-97.48	346.46	4.70	-92.78
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000315256	0	35	-2.0	-99.66	334.20	3.78	-95.88
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000315257	1	38	-2.0	-101.62	348.35	4.73	-96.89
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000315258	0	41	-2.0	-108.55	367.40	5.37	-103.18
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000315259	0	38	-2.0	-97.43	347.11	4.74	-92.69
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000315260	1	38	-2.0	-95.49	354.44	5.05	-90.44
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000315261	1	41	-2.0	-102.91	371.10	5.87	-97.04
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000315262	1	38	-2.0	-99.27	352.20	4.78	-94.49
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000315263	0	40	-2.0	-94.94	369.85	5.33	-89.61
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000315264	0	39	-2.0	-109.82	351.39	2.39	-107.43
CC(=O)NC1=CC=C(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000315264	1	39	-2.0	-109.86	348.83	3.19	-106.67
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000315265	1	41	-2.0	-101.23	364.13	5.45	-95.78
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000315266	1	41	-2.0	-105.84	352.10	5.30	-100.54
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000315267	1	41	-2.0	-108.04	366.51	5.32	-102.72
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000315269	1	44	-2.0	-112.21	375.21	5.75	-106.46
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000315270	0	40	-2.0	-109.22	368.47	5.75	-103.47
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000315271	0	38	-2.0	-98.83	353.11	4.81	-94.02
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000315273	0	41	-2.0	-109.04	366.56	5.39	-103.65
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000315274	0	41	-2.0	-107.44	373.16	5.82	-101.62
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000315275	0	41	-2.0	-115.60	366.69	5.37	-110.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(NC(C)=O)=CC=C2C)C=C1C(=O)[O-]	REAL300000315276	1	44	-2.0	-112.66	375.90	5.85	-106.81
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000315278	1	41	-2.0	-99.59	367.72	5.86	-93.73
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000315279	1	41	-2.0	-106.79	372.88	5.64	-101.15
CCN1C=C(S(=O)(=O)[N-]C2=CC(NC(C)=O)=CC=C2C)C=C1C(=O)[O-]	REAL300000315280	0	42	-2.0	-109.34	369.89	4.87	-104.47
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000315281	1	41	-2.0	-103.90	371.60	5.63	-98.27
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000315282	1	41	-2.0	-97.90	357.47	5.22	-92.68
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000315284	0	40	-2.0	-118.03	365.67	6.51	-111.52
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000315285	0	38	-2.0	-114.91	345.58	4.69	-110.22
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000315286	1	41	-2.0	-102.17	362.91	5.24	-96.93
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000315287	1	44	-2.0	-119.09	382.67	6.79	-112.30
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000315288	0	37	-2.0	-106.82	338.35	2.75	-104.07
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(NC(C)=O)=CC=C1C	REAL300000315289	0	42	-2.0	-101.95	370.13	4.45	-97.50
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000315290	0	35	-2.0	-97.78	341.76	3.65	-94.13
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000315291	1	45	-2.0	-104.01	388.07	6.54	-97.47
CC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000315292	1	45	-2.0	-106.44	385.47	6.55	-99.89
CCC1=C(S(=O)(=O)[N-]C2=CC(NC(C)=O)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000315293	0	41	-2.0	-103.87	363.78	4.66	-99.21
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000315294	0	35	-2.0	-110.82	340.90	4.12	-106.70
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000315295	0	35	-2.0	-101.00	336.35	4.09	-96.91
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000315296	0	35	-2.0	-113.54	336.36	4.08	-109.46
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000315297	0	39	-2.0	-117.45	364.51	3.88	-113.57
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000315298	0	39	-2.0	-99.39	367.81	5.38	-94.01
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000315299	0	38	-2.0	-114.76	352.38	4.62	-110.14
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000315300	0	41	-2.0	-114.61	369.47	5.42	-109.19
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000315301	0	35	-2.0	-109.86	341.84	4.15	-105.71
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000315302	0	41	-2.0	-98.52	379.93	5.68	-92.84
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000315303	0	32	-2.0	-107.89	329.55	3.10	-104.79
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000315304	0	38	-2.0	-112.54	351.80	4.88	-107.66
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000315305	0	39	-2.0	-98.21	367.43	4.37	-93.84
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000315306	0	36	-2.0	-112.02	343.01	3.44	-108.58
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000315307	0	39	-2.0	-113.02	360.15	2.92	-110.10
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000315308	0	35	-2.0	-104.13	345.50	3.77	-100.36
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000315309	0	41	-2.0	-115.28	371.81	5.52	-109.76
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000315310	0	32	-2.0	-109.20	328.02	3.12	-106.08
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000315311	0	39	-2.0	-119.37	363.65	4.15	-115.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)NC	REAL300000315312	0	41	-2.0	-109.15	361.97	5.74	-103.41
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000315313	0	35	-2.0	-106.47	339.37	3.22	-103.25
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000315314	0	39	-2.0	-114.54	365.33	3.17	-111.37
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000315315	0	35	-2.0	-109.14	346.05	3.98	-105.16
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000315316	0	35	-2.0	-100.41	340.90	4.13	-96.28
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000315317	0	32	-2.0	-102.85	328.63	3.21	-99.64
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000315318	0	35	-2.0	-104.48	342.77	4.15	-100.33
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000315319	0	35	-2.0	-100.67	341.83	4.16	-96.51
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000315320	0	36	-2.0	-110.71	346.08	1.79	-108.92
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000315321	0	38	-2.0	-103.50	358.54	4.87	-98.63
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000315322	0	38	-2.0	-110.58	346.40	4.73	-105.85
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000315323	0	38	-2.0	-100.62	351.77	4.87	-95.75
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000315324	0	41	-2.0	-116.88	369.24	5.15	-111.73
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000315325	0	41	-2.0	-115.35	369.89	5.49	-109.86
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)NC)C=C1C(=O)[O-]	REAL300000315326	0	41	-2.0	-115.53	370.33	5.27	-110.26
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)NC)C=C1C(=O)[O-]	REAL300000315327	0	39	-2.0	-113.29	364.39	4.31	-108.98
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000315328	0	38	-2.0	-102.75	356.43	4.73	-98.02
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000315329	0	35	-2.0	-118.91	340.00	4.11	-114.80
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000315330	0	34	-2.0	-111.60	332.57	2.21	-109.39
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000315331	0	39	-2.0	-104.90	364.56	3.88	-101.02
CNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000315332	0	32	-2.0	-100.89	336.46	3.07	-97.82
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)NC)C=C(C(=O)[O-])O1	REAL300000315333	0	38	-2.0	-105.02	354.76	4.06	-100.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCCS3(=O)=O)=C2)C=C1	REAL300000315334	1	40	-2.0	-118.44	363.13	3.61	-114.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCCS3(=O)=O)=C2)=C1	REAL300000315335	1	40	-2.0	-132.55	363.12	3.60	-128.95
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCCS3(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000315336	0	41	-2.0	-130.65	369.79	2.96	-127.69
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3CCCS3(=O)=O)=C2)=C1	REAL300000315337	0	39	-2.0	-130.33	359.37	1.74	-128.59
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C)=C1	REAL300000315338	1	38	-2.0	-102.90	346.37	4.08	-98.82
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300000315339	1	38	-2.0	-93.26	341.82	4.06	-89.20
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000315340	1	38	-2.0	-105.11	341.83	4.05	-101.06
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000315341	0	42	-2.0	-110.01	369.97	3.86	-106.15
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C)=C1	REAL300000315342	1	42	-2.0	-92.95	373.28	5.35	-87.60
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000315343	1	41	-2.0	-106.07	357.85	4.59	-101.48
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C)=C1	REAL300000315344	0	38	-2.0	-100.64	354.90	4.64	-96.00
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=C1	REAL300000315345	1	38	-2.0	-101.08	354.35	4.45	-96.63
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C)=C1	REAL300000315346	1	44	-2.0	-107.93	374.50	5.42	-102.51
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1	REAL300000315347	0	38	-2.0	-102.05	347.30	4.12	-97.93
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1	REAL300000315348	1	44	-2.0	-92.01	385.41	5.64	-86.37
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1	REAL300000315349	0	35	-2.0	-99.69	335.02	3.07	-96.62
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C)=C1	REAL300000315350	1	41	-2.0	-105.93	357.26	4.85	-101.08
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C)=C1	REAL300000315351	1	42	-2.0	-91.58	372.90	4.34	-87.24
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000315352	0	39	-2.0	-103.61	348.48	3.41	-100.20
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C)=C1	REAL300000315353	1	42	-2.0	-106.66	365.61	2.90	-103.76
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=C1	REAL300000315354	0	38	-2.0	-95.90	350.94	3.74	-92.16
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C)=C1	REAL300000315355	1	44	-2.0	-108.42	377.28	5.48	-102.94
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1	REAL300000315356	0	35	-2.0	-101.09	333.48	3.10	-97.99
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(C)=C1	REAL300000315357	1	42	-2.0	-111.00	369.12	4.12	-106.88
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C)=C1	REAL300000315358	1	47	-2.0	-107.80	395.73	6.07	-101.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC)C=C1C	REAL300000315359	1	44	-2.0	-104.30	371.21	5.76	-98.54
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000315360	0	45	-2.0	-109.39	392.26	4.62	-104.77
CNC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000315361	0	41	-2.0	-110.31	368.70	4.54	-105.77
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000315361	1	40	-3.0	-179.53	370.23	4.62	-174.91
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C)=C1	REAL300000315362	1	45	-2.0	-109.76	386.08	5.95	-103.81
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000315363	0	38	-2.0	-99.38	344.84	3.19	-96.19
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000315364	0	42	-2.0	-106.33	370.75	3.15	-103.18
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(C)=C1	REAL300000315365	1	45	-2.0	-92.04	392.99	5.04	-87.00
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=C1	REAL300000315366	1	41	-2.0	-96.84	362.54	4.88	-91.96
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C)=C1	REAL300000315367	1	42	-2.0	-91.39	379.13	4.40	-86.99
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC)C=C2C)C=C1C(=O)[O-]	REAL300000315368	1	45	-2.0	-111.59	390.98	5.03	-106.56
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300000315369	0	38	-2.0	-102.43	351.52	3.95	-98.48
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=C1	REAL300000315370	0	38	-2.0	-90.98	354.89	4.63	-86.35
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=C1	REAL300000315371	1	38	-2.0	-93.05	346.36	4.09	-88.96
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1	REAL300000315372	0	35	-2.0	-94.75	334.10	3.18	-91.57
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000315373	1	38	-2.0	-96.29	348.25	4.12	-92.17
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C)=C1	REAL300000315374	0	41	-2.0	-103.38	367.59	4.76	-98.62
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300000315375	0	38	-2.0	-92.62	347.28	4.12	-88.50
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=C1	REAL300000315376	1	38	-2.0	-90.98	354.33	4.46	-86.52
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C)=C1	REAL300000315377	1	41	-2.0	-98.44	371.27	5.27	-93.17
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C)=C1	REAL300000315378	1	38	-2.0	-94.78	352.66	4.15	-90.63
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C)=C1	REAL300000315379	0	40	-2.0	-90.64	370.02	4.72	-85.92
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1	REAL300000315380	0	39	-2.0	-104.76	351.55	1.76	-103.00
CNC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1	REAL300000315380	1	39	-2.0	-107.10	345.76	2.64	-104.46
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)=C1	REAL300000315381	1	41	-2.0	-96.17	364.01	4.84	-91.33
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C)=C1	REAL300000315382	1	41	-2.0	-101.54	351.87	4.70	-96.84
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C)=C1	REAL300000315383	1	41	-2.0	-104.24	366.67	4.71	-99.53
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C)=C1	REAL300000315384	1	41	-2.0	-93.64	357.24	4.84	-88.80
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000315385	1	44	-2.0	-107.91	374.71	5.12	-102.79
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300000315386	0	40	-2.0	-104.12	368.41	5.15	-98.97
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=C1	REAL300000315387	0	38	-2.0	-94.01	353.58	4.18	-89.83
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C)=C1	REAL300000315388	1	44	-2.0	-105.91	375.36	5.47	-100.44
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C)=C1	REAL300000315389	0	41	-2.0	-104.24	367.14	4.75	-99.49
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C)=C1	REAL300000315390	0	41	-2.0	-102.26	373.59	5.20	-97.06
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000315391	0	41	-2.0	-109.98	366.88	4.75	-105.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC)C=C2C)C=C1C(=O)[O-]	REAL300000315392	1	44	-2.0	-106.74	375.80	5.24	-101.50
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C(C)=C1	REAL300000315393	1	45	-2.0	-107.71	392.31	4.19	-103.52
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C)=C1	REAL300000315394	1	41	-2.0	-95.01	368.09	5.24	-89.77
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(C)=C1	REAL300000315395	1	41	-2.0	-102.86	373.06	5.01	-97.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC)C=C2C)C=C1C(=O)[O-]	REAL300000315396	0	42	-2.0	-104.85	369.85	4.27	-100.58
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000315397	1	41	-2.0	-99.73	375.60	5.12	-94.61
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C)=C1	REAL300000315398	1	41	-2.0	-94.89	361.90	4.70	-90.19
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C)=C1	REAL300000315399	1	41	-2.0	-103.93	361.37	4.90	-99.03
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C)=C1	REAL300000315400	0	40	-2.0	-112.31	365.57	5.91	-106.40
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000315401	0	38	-2.0	-109.24	345.47	4.08	-105.16
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000315402	1	41	-2.0	-98.03	366.79	4.73	-93.30
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=C1	REAL300000315403	1	44	-2.0	-113.01	382.87	6.18	-106.83
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1	REAL300000315404	0	37	-2.0	-102.73	338.05	2.19	-100.54
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300000315405	0	42	-2.0	-97.18	370.03	3.86	-93.32
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000315406	0	35	-2.0	-93.48	341.94	3.03	-90.45
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C)=C1	REAL300000315407	1	45	-2.0	-99.45	387.96	5.94	-93.51
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C)=C1	REAL300000315408	1	45	-2.0	-102.29	385.92	5.92	-96.37
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC)C=C2C)C=C(C(=O)[O-])O1	REAL300000315409	0	41	-2.0	-99.19	363.95	4.05	-95.14
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000315410	1	36	-2.0	-102.95	332.67	4.88	-98.07
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000315411	1	36	-2.0	-89.12	331.42	5.68	-83.44
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000315412	1	36	-2.0	-101.07	331.45	5.67	-95.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N(C)C	REAL300000315413	0	40	-2.0	-106.37	359.52	5.48	-100.89
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000315414	1	40	-2.0	-88.73	362.90	6.97	-81.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)C=C1C(=O)[O-]	REAL300000315415	1	39	-2.0	-102.04	347.38	6.20	-95.84
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000315416	0	36	-2.0	-100.75	341.21	5.41	-95.34
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000315417	1	36	-2.0	-97.08	343.95	6.06	-91.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)=C1C	REAL300000315418	1	42	-2.0	-107.90	361.25	6.17	-101.73
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000315419	0	36	-2.0	-98.57	336.92	5.72	-92.85
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000315420	1	42	-2.0	-87.77	374.89	7.26	-80.51
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000315421	0	33	-2.0	-95.77	324.63	4.70	-91.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N(C)C	REAL300000315422	1	39	-2.0	-102.20	344.13	6.37	-95.83
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000315423	1	40	-2.0	-87.32	362.52	5.95	-81.37
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000315424	0	37	-2.0	-99.44	337.96	5.03	-94.41
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N(C)C	REAL300000315425	1	40	-2.0	-103.03	352.73	4.41	-98.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)=C1	REAL300000315426	0	36	-2.0	-91.83	340.42	5.36	-86.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)C=C1C(=O)[O-]	REAL300000315427	1	42	-2.0	-103.40	359.87	6.88	-96.52
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000315428	0	33	-2.0	-96.96	323.10	4.70	-92.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)C=C1C(=O)[O-]	REAL300000315429	1	40	-2.0	-106.89	358.60	5.75	-101.14
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N(C)C	REAL300000315430	1	45	-2.0	-103.90	379.63	7.49	-96.41
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N(C)C	REAL300000315431	1	42	-2.0	-103.66	358.29	6.56	-97.10
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N(C)C	REAL300000315432	0	43	-2.0	-106.10	381.81	6.24	-99.86
CN(C)C1=C(Cl)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000315433	0	39	-2.0	-106.50	356.48	5.44	-101.06
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000315433	1	38	-3.0	-181.52	356.55	5.41	-176.11
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000315434	1	43	-2.0	-106.33	373.07	7.47	-98.86
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)C=C(C(=O)[O-])O1	REAL300000315435	0	36	-2.0	-95.71	334.32	4.82	-90.89
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)=C1	REAL300000315436	0	40	-2.0	-100.96	360.23	4.76	-96.20
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)=CC=C1OCC(=O)[O-]	REAL300000315437	1	43	-2.0	-87.74	382.47	6.68	-81.06
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N(C)C	REAL300000315438	1	39	-2.0	-96.69	348.88	5.66	-91.03
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)C=C1C(=O)[O-]	REAL300000315439	1	43	-2.0	-107.55	380.47	6.66	-100.89
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)C=C(C(=O)[O-])S1	REAL300000315440	0	36	-2.0	-98.78	337.88	5.43	-93.35
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000315441	0	36	-2.0	-86.49	343.89	6.22	-80.27
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000315442	1	36	-2.0	-88.78	335.83	5.72	-83.06
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000315443	0	33	-2.0	-90.78	323.57	4.80	-85.98
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000315444	0	36	-2.0	-96.49	334.54	4.91	-91.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)=C1F	REAL300000315445	0	39	-2.0	-104.13	353.89	5.54	-98.59
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000315446	0	36	-2.0	-88.37	336.78	5.75	-82.62
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000315447	1	36	-2.0	-86.73	343.80	6.09	-80.64
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000315448	1	36	-2.0	-90.71	342.27	5.76	-84.95
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000315449	0	38	-2.0	-90.72	356.33	5.51	-85.21
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000315450	0	37	-2.0	-101.25	339.43	3.47	-97.78
CN(C)C1=C(Cl)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000315450	1	37	-2.0	-103.88	328.26	3.27	-100.61
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000315451	1	39	-2.0	-92.66	353.49	6.46	-86.20
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N(C)C	REAL300000315452	1	39	-2.0	-96.53	339.40	6.24	-90.29
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)=CC(C(=O)[O-])=C1F	REAL300000315453	1	39	-2.0	-104.38	352.97	5.50	-98.88
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N(C)C	REAL300000315454	1	39	-2.0	-93.13	343.58	5.62	-87.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)=CC(C(=O)[O-])=C1C	REAL300000315455	1	42	-2.0	-103.81	364.54	6.75	-97.06
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000315456	0	38	-2.0	-103.70	354.72	5.95	-97.75
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000315457	0	36	-2.0	-94.45	339.87	4.97	-89.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)C(C)=C1C(=O)[O-]	REAL300000315458	1	42	-2.0	-100.78	362.93	6.95	-93.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)C=C1C(=O)[O-]	REAL300000315459	0	39	-2.0	-99.58	352.83	6.27	-93.31
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)=C1	REAL300000315460	0	39	-2.0	-110.51	353.18	5.53	-104.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)C=C1C(=O)[O-]	REAL300000315461	1	42	-2.0	-102.73	365.51	6.87	-95.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)C=C1CC(=O)[O-]	REAL300000315462	1	43	-2.0	-107.87	378.60	4.97	-102.90
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)C=C1C(=O)[O-]	REAL300000315463	0	40	-2.0	-100.64	359.26	5.88	-94.76
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)=CC=C1C(=O)[O-]	REAL300000315464	1	39	-2.0	-93.19	344.18	5.39	-87.80
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N(C)C	REAL300000315465	1	39	-2.0	-99.95	348.81	6.39	-93.56
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000315466	0	38	-2.0	-106.46	349.64	7.31	-99.15
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000315467	0	36	-2.0	-104.26	334.95	5.70	-98.56
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)C=C1C(=O)[O-]	REAL300000315468	1	39	-2.0	-97.27	349.30	5.42	-91.85
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000315469	0	35	-2.0	-98.84	327.52	3.80	-95.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N(C)C	REAL300000315470	0	40	-2.0	-92.84	359.51	5.48	-87.36
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000315471	0	33	-2.0	-89.64	331.42	4.65	-84.99
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000315472	1	43	-2.0	-95.48	377.57	7.55	-87.93
CN(C)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000315473	1	43	-2.0	-97.44	375.53	7.53	-89.91
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N(C)C)C=C(C(=O)[O-])O1	REAL300000315474	0	39	-2.0	-98.87	350.29	4.84	-94.03
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000315475	0	45	-2.0	-93.31	391.17	4.49	-88.82
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000315476	0	38	-2.0	-110.44	339.24	5.93	-104.51
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C	REAL300000315477	0	46	-2.0	-111.07	394.31	6.99	-104.08
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000315478	0	38	-2.0	-100.37	334.68	5.90	-94.47
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000315479	0	38	-2.0	-113.37	334.71	5.90	-107.47
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C	REAL300000315480	0	42	-2.0	-118.72	362.83	5.70	-113.02
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000315481	0	42	-2.0	-99.45	366.16	7.20	-92.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000315482	0	41	-2.0	-114.99	351.54	6.49	-108.50
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000315483	0	38	-2.0	-108.44	347.76	6.49	-101.95
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000315484	0	38	-2.0	-109.01	347.21	6.30	-102.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)=C1C	REAL300000315485	0	44	-2.0	-115.47	367.82	7.23	-108.24
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000315486	0	38	-2.0	-110.67	340.17	5.97	-104.70
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000315487	0	44	-2.0	-98.77	378.29	7.49	-91.28
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000315488	0	35	-2.0	-107.42	327.89	4.92	-102.50
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C	REAL300000315489	0	41	-2.0	-113.49	350.15	6.69	-106.80
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000315490	0	42	-2.0	-98.13	365.76	6.19	-91.94
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000315491	0	39	-2.0	-111.77	341.34	5.26	-106.51
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C	REAL300000315492	0	42	-2.0	-114.30	358.47	4.74	-109.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)=C1	REAL300000315493	0	38	-2.0	-103.57	343.82	5.58	-97.99
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000315494	0	44	-2.0	-115.13	365.96	7.21	-107.92
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000315495	0	35	-2.0	-108.81	326.36	4.94	-103.87
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)=CC(C(=O)[O-])=C1OC	REAL300000315496	0	46	-2.0	-113.99	392.99	5.71	-108.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000315497	0	42	-2.0	-119.16	362.00	5.97	-113.19
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000315498	0	48	-2.0	-117.79	389.95	8.53	-109.26
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000315499	0	47	-2.0	-116.07	388.59	7.92	-108.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C	REAL300000315500	0	44	-2.0	-111.38	364.81	7.63	-103.75
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C	REAL300000315501	0	45	-2.0	-119.47	385.14	6.46	-113.01
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000315502	0	40	-3.0	-190.56	363.12	6.47	-184.09
CC(C)OC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000315502	1	41	-2.0	-109.50	363.19	6.43	-103.07
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000315503	0	45	-2.0	-118.37	378.94	7.80	-110.57
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000315504	0	38	-2.0	-106.69	337.70	5.04	-101.65
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000315505	0	44	-2.0	-118.52	376.85	5.68	-112.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)=C1	REAL300000315506	0	42	-2.0	-114.34	363.69	4.99	-109.35
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000315507	0	46	-2.0	-99.06	387.61	6.51	-92.55
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000315508	0	38	-2.0	-104.86	352.29	6.50	-98.36
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000315509	0	42	-2.0	-96.51	381.81	6.73	-89.78
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)=CC=C1OCC(=O)[O-]	REAL300000315510	0	45	-2.0	-98.66	385.86	6.90	-91.76
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C	REAL300000315511	0	41	-2.0	-103.94	355.43	6.72	-97.22
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000315512	0	42	-2.0	-97.40	372.00	6.25	-91.15
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000315513	0	45	-2.0	-120.04	383.84	6.88	-113.16
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C=C(C(=O)[O-])S1	REAL300000315514	0	38	-2.0	-109.87	343.34	5.80	-104.07
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000315515	0	38	-2.0	-97.61	347.77	6.48	-91.13
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000315516	0	38	-2.0	-99.59	339.22	5.94	-93.65
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000315517	0	35	-2.0	-102.23	326.96	5.03	-97.20
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000315518	0	38	-2.0	-103.98	341.09	5.97	-98.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)=C1F	REAL300000315519	0	41	-2.0	-112.12	360.46	6.60	-105.52
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)=C(Cl)C=C1C(=O)[O-]	REAL300000315520	0	42	-2.0	-102.32	375.01	6.53	-95.79
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000315521	0	38	-2.0	-100.09	340.18	5.98	-94.11
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000315522	0	38	-2.0	-97.84	347.21	6.31	-91.53
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C	REAL300000315523	0	41	-2.0	-105.67	364.17	7.11	-98.56
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000315524	0	46	-2.0	-95.93	398.43	7.32	-88.61
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000315525	0	38	-2.0	-101.79	345.53	6.00	-95.79
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000315526	0	40	-2.0	-98.11	362.88	6.57	-91.54
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000315527	0	39	-2.0	-112.16	344.42	3.62	-108.54
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000315528	0	41	-2.0	-103.90	356.87	6.68	-97.22
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000315529	0	38	-2.0	-103.49	355.39	6.43	-97.06
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C	REAL300000315530	0	41	-2.0	-109.74	344.85	6.56	-103.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)=CC(C(=O)[O-])=C1F	REAL300000315531	0	41	-2.0	-112.14	359.55	6.56	-105.58
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C	REAL300000315532	0	41	-2.0	-100.17	350.10	6.68	-93.49
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)=CC(C(=O)[O-])=C1C	REAL300000315533	0	44	-2.0	-116.76	367.66	6.98	-109.78
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000315534	0	40	-2.0	-111.08	361.36	7.01	-104.07
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000315535	0	38	-2.0	-102.09	346.45	6.03	-96.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C(C)=C1C(=O)[O-]	REAL300000315536	0	44	-2.0	-114.00	368.30	7.32	-106.68
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000315537	0	41	-2.0	-111.98	355.97	6.49	-105.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)=C1Cl	REAL300000315538	0	41	-2.0	-110.28	366.49	7.04	-103.24
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)=C1	REAL300000315539	0	41	-2.0	-119.08	359.73	6.60	-112.48
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000315540	0	44	-2.0	-115.35	368.96	7.09	-108.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C=C1CC(=O)[O-]	REAL300000315541	0	45	-2.0	-116.32	385.15	6.04	-110.28
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C	REAL300000315542	0	41	-2.0	-102.74	361.56	7.12	-95.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)=CC(C(=O)[O-])=C1Cl	REAL300000315543	0	41	-2.0	-111.09	365.94	6.86	-104.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000315544	0	42	-2.0	-113.00	362.73	6.12	-106.88
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C(C)=C1CC(=O)[O-]	REAL300000315545	0	50	-2.0	-112.29	399.78	8.74	-103.55
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000315546	0	41	-2.0	-106.72	364.62	6.87	-99.85
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000315547	0	47	-2.0	-108.96	384.57	8.05	-100.91
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000315548	0	42	-2.0	-113.80	375.03	6.54	-107.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000315549	0	41	-2.0	-102.14	354.87	6.56	-95.58
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000315550	0	43	-2.0	-104.48	378.38	8.13	-96.35
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C	REAL300000315551	0	41	-2.0	-110.78	354.64	6.72	-104.06
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000315552	0	40	-2.0	-121.05	358.45	7.75	-113.30
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000315553	0	38	-2.0	-117.94	338.33	5.93	-112.01
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000315554	0	41	-2.0	-105.00	355.93	6.48	-98.52
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000315555	0	44	-2.0	-121.94	375.75	8.02	-113.92
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000315556	0	37	-2.0	-111.50	330.93	4.02	-107.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C	REAL300000315557	0	42	-2.0	-104.72	362.89	5.70	-99.02
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000315558	0	35	-2.0	-100.57	334.80	4.87	-95.70
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000315559	0	45	-2.0	-106.74	380.83	7.79	-98.95
CC(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000315560	0	45	-2.0	-110.46	378.77	7.76	-102.70
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000315561	0	41	-2.0	-106.01	356.83	5.89	-100.12
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000315562	0	34	-2.0	-104.00	328.92	5.97	-98.03
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000315563	0	34	-2.0	-94.38	324.38	5.95	-88.43
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000315564	0	34	-2.0	-106.34	324.39	5.94	-100.40
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000315565	0	38	-2.0	-110.32	352.54	5.73	-104.59
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000315566	0	38	-2.0	-93.32	355.84	7.23	-86.09
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000315567	0	37	-2.0	-107.59	340.42	6.47	-101.12
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000315568	0	34	-2.0	-100.82	337.46	6.51	-94.31
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000315569	0	34	-2.0	-102.30	336.90	6.33	-95.97
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000315570	0	40	-2.0	-107.67	357.50	7.28	-100.39
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000315571	0	34	-2.0	-102.70	329.87	6.00	-96.70
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000315572	0	40	-2.0	-92.35	367.97	7.52	-84.83
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000315573	0	31	-2.0	-100.87	317.58	4.96	-95.91
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000315574	0	37	-2.0	-105.72	339.83	6.72	-99.00
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000315575	0	38	-2.0	-92.09	355.46	6.22	-85.87
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000315576	0	35	-2.0	-104.99	331.04	5.29	-99.70
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000315577	0	38	-2.0	-106.32	348.17	4.78	-101.54
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000315578	0	34	-2.0	-97.28	333.52	5.62	-91.66
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000315579	0	40	-2.0	-106.94	355.84	7.26	-99.68
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000315580	0	31	-2.0	-102.20	316.04	4.98	-97.22
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000315581	0	38	-2.0	-112.23	351.67	6.00	-106.23
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000315582	0	43	-2.0	-107.41	377.59	7.93	-99.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)OC	REAL300000315583	0	40	-2.0	-102.82	350.00	7.48	-95.34
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000315584	0	41	-2.0	-111.79	374.82	6.50	-105.29
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000315585	0	36	-3.0	-182.95	352.80	6.50	-176.45
COC(=O)C1=CC(F)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000315585	1	37	-2.0	-107.01	351.00	6.43	-100.58
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000315586	0	41	-2.0	-110.06	368.64	7.83	-102.23
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000315587	0	34	-2.0	-99.80	327.40	5.07	-94.73
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000315588	0	38	-2.0	-107.55	353.36	5.03	-102.52
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000315589	0	41	-2.0	-92.56	375.54	6.93	-85.63
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000315590	0	37	-2.0	-96.96	345.10	6.75	-90.21
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000315591	0	41	-2.0	-113.04	373.53	6.91	-106.13
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000315592	0	34	-2.0	-102.50	333.02	5.83	-96.67
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000315593	0	34	-2.0	-91.79	337.44	6.50	-85.29
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000315594	0	34	-2.0	-93.98	328.91	5.98	-88.00
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000315595	0	31	-2.0	-96.02	316.66	5.07	-90.95
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000315596	0	34	-2.0	-97.57	330.80	6.00	-91.57
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000315597	0	37	-2.0	-104.22	350.14	6.63	-97.59
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000315598	0	34	-2.0	-93.95	329.86	6.01	-87.94
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000315599	0	34	-2.0	-92.03	336.88	6.34	-85.69
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000315600	0	34	-2.0	-95.87	335.21	6.03	-89.84
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000315601	0	36	-2.0	-91.85	352.58	6.61	-85.24
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000315602	0	35	-2.0	-103.85	334.11	3.64	-100.21
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000315603	0	37	-2.0	-96.91	346.57	6.71	-90.20
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000315604	0	37	-2.0	-103.64	334.43	6.58	-97.06
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000315605	0	37	-2.0	-105.43	349.22	6.59	-98.84
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000315606	0	37	-2.0	-94.18	339.80	6.72	-87.46
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000315607	0	40	-2.0	-109.55	357.27	7.01	-102.54
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000315608	0	36	-2.0	-105.12	350.95	7.03	-98.09
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000315609	0	34	-2.0	-94.95	336.13	6.06	-88.89
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000315610	0	40	-2.0	-107.91	358.87	7.33	-100.58
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000315611	0	37	-2.0	-103.82	345.87	6.54	-97.28
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000315612	0	37	-2.0	-112.57	349.41	6.63	-105.94
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000315613	0	40	-2.0	-108.28	358.36	7.12	-101.16
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000315614	0	41	-2.0	-109.94	374.86	6.07	-103.87
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000315615	0	38	-2.0	-106.24	352.42	6.15	-100.09
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000315616	0	37	-2.0	-96.14	344.44	6.58	-89.56
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000315617	0	37	-2.0	-103.23	344.34	6.75	-96.48
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000315618	0	36	-2.0	-114.15	348.13	7.79	-106.36
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000315619	0	34	-2.0	-111.69	328.03	5.96	-105.73
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000315620	0	37	-2.0	-98.29	345.56	6.51	-91.78
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000315621	0	33	-2.0	-104.28	320.60	4.06	-100.22
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000315622	0	38	-2.0	-98.18	352.60	5.73	-92.45
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000315623	0	31	-2.0	-94.26	324.49	4.91	-89.35
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000315624	0	41	-2.0	-100.03	370.52	7.82	-92.21
COC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000315625	0	41	-2.0	-104.58	368.48	7.81	-96.77
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000315626	0	37	-2.0	-98.69	342.81	5.82	-92.87
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000315627	0	43	-2.0	-103.62	381.71	4.40	-99.22
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000315628	1	43	-2.0	-94.71	377.14	4.38	-90.33
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000315629	0	43	-2.0	-108.23	377.98	4.36	-103.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)NC(C)C)C=C1C(=O)[O-]	REAL300000315630	1	46	-2.0	-106.88	393.57	4.88	-102.00
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000315631	0	43	-2.0	-105.51	383.46	4.43	-101.08
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000315632	0	40	-2.0	-102.34	371.16	3.38	-98.96
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(=O)NC(C)C	REAL300000315633	0	46	-2.0	-107.58	392.61	5.14	-102.44
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000315634	0	44	-2.0	-106.12	383.80	3.71	-102.41
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)NC(C)C)=C1	REAL300000315635	0	43	-2.0	-98.01	387.12	4.05	-93.96
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000315636	0	40	-2.0	-102.03	368.82	3.40	-98.63
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)NC(C)C)C=C(C(=O)[O-])O1	REAL300000315637	0	43	-2.0	-100.61	380.18	3.50	-97.11
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)NC(C)C)C=C(C(=O)[O-])S1	REAL300000315638	0	43	-2.0	-104.17	385.80	4.26	-99.91
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000315639	0	43	-2.0	-94.54	381.69	4.41	-90.13
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000315640	0	40	-2.0	-96.73	369.43	3.49	-93.24
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000315641	0	43	-2.0	-97.34	383.57	4.43	-92.91
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000315642	0	43	-2.0	-94.31	383.45	4.43	-89.88
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000315643	0	44	-2.0	-106.82	387.71	2.06	-104.76
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000315644	0	46	-2.0	-98.76	399.33	5.13	-93.63
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(=O)NC(C)C	REAL300000315645	0	46	-2.0	-103.24	386.93	4.98	-98.26
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(=O)NC(C)C	REAL300000315646	1	46	-2.0	-94.83	393.41	5.13	-89.70
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)NC(C)C)C=C1C(=O)[O-]	REAL300000315647	0	47	-2.0	-105.72	405.19	4.58	-101.14
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)NC(C)C)=CC=C1C(=O)[O-]	REAL300000315648	1	46	-2.0	-95.73	396.54	5.00	-90.73
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000315649	0	43	-2.0	-108.85	380.80	4.39	-104.46
CC(C)NC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000315650	0	42	-2.0	-105.54	374.20	2.48	-103.06
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)NC(C)C)C=C(C(=O)[O-])O1	REAL300000315651	0	46	-2.0	-100.14	399.30	4.35	-95.79
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000315654	1	38	-2.0	-123.63	340.24	4.80	-118.83
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(NC(C)=O)=C1	REAL300000315655	0	42	-2.0	-127.10	367.68	4.55	-122.55
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1C	REAL300000315656	1	42	-2.0	-108.58	371.97	6.10	-102.48
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1C	REAL300000315658	0	38	-2.0	-117.92	353.62	5.37	-112.55
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000315659	1	38	-2.0	-117.45	352.76	5.20	-112.25
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1C	REAL300000315660	1	44	-2.0	-124.03	372.20	6.11	-117.92
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C	REAL300000315661	0	38	-2.0	-120.04	346.03	4.86	-115.18
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C	REAL300000315662	1	44	-2.0	-107.79	383.81	6.40	-101.39
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C	REAL300000315663	0	35	-2.0	-116.16	332.43	3.77	-112.39
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1C	REAL300000315664	1	41	-2.0	-121.54	354.68	5.54	-116.00
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000315666	1	39	-2.0	-121.92	347.17	4.16	-117.76
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1C	REAL300000315668	0	38	-2.0	-113.11	348.36	4.44	-108.67
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C	REAL300000315670	0	35	-2.0	-117.65	332.19	3.84	-113.81
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1C	REAL300000315672	1	47	-2.0	-123.88	393.16	6.77	-117.11
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(NC(C)=O)=C1	REAL300000315673	1	44	-2.0	-121.04	370.70	6.51	-114.53
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(NC(C)=O)=C1	REAL300000315674	0	45	-2.0	-128.73	389.68	5.32	-123.41
CC(=O)NC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000315675	0	41	-2.0	-120.33	371.33	5.32	-115.01
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000315675	1	40	-3.0	-200.73	368.95	5.36	-195.37
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1C	REAL300000315676	1	45	-2.0	-126.52	383.78	6.66	-119.86
CC(=O)NC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1C	REAL300000315677	0	38	-2.0	-115.93	343.56	3.93	-112.00
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1C	REAL300000315678	0	42	-2.0	-125.06	368.51	3.85	-121.21
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C	REAL300000315680	1	41	-2.0	-112.24	360.24	5.57	-106.67
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1C	REAL300000315681	1	42	-2.0	-106.80	377.83	5.15	-101.65
CC(=O)NC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1C	REAL300000315683	1	38	-2.0	-117.99	347.85	4.65	-113.34
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C	REAL300000315684	0	38	-2.0	-106.93	353.58	5.36	-101.57
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C	REAL300000315685	1	38	-2.0	-108.87	344.77	4.85	-104.02
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C	REAL300000315686	0	35	-2.0	-111.10	332.82	3.92	-107.18
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000315687	1	38	-2.0	-114.04	346.94	4.86	-109.18
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1C	REAL300000315688	0	41	-2.0	-120.93	365.30	5.47	-115.46
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C	REAL300000315689	0	38	-2.0	-109.13	346.01	4.86	-104.27
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C	REAL300000315690	1	38	-2.0	-106.96	352.74	5.21	-101.75
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1C	REAL300000315691	1	41	-2.0	-113.91	368.98	5.96	-107.95
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000315692	1	38	-2.0	-110.52	351.34	4.89	-105.63
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C	REAL300000315693	1	40	-2.0	-106.69	368.73	5.46	-101.23
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C	REAL300000315694	0	39	-2.0	-121.52	349.97	2.52	-119.00
CC(=O)NC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C	REAL300000315694	1	39	-2.0	-112.83	339.24	3.40	-109.43
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C	REAL300000315695	1	41	-2.0	-112.83	362.68	5.59	-107.24
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C	REAL300000315696	1	41	-2.0	-119.19	350.36	5.44	-113.75
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1C	REAL300000315700	0	40	-2.0	-119.40	367.05	5.89	-113.51
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1C	REAL300000315701	0	38	-2.0	-111.25	352.01	4.93	-106.32
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1C	REAL300000315703	0	41	-2.0	-121.59	365.41	5.51	-116.08
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1C	REAL300000315704	0	41	-2.0	-118.88	371.27	5.90	-112.98
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1C	REAL300000315705	0	41	-2.0	-130.42	364.56	5.45	-124.97
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1C	REAL300000315708	1	41	-2.0	-113.13	366.61	5.96	-107.17
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000315709	1	41	-2.0	-121.33	371.76	5.76	-115.57
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(NC(C)=O)=C2)C=C1C(=O)[O-]	REAL300000315710	1	42	-2.0	-123.13	368.29	5.02	-118.11
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000315711	1	41	-2.0	-116.33	373.68	5.85	-110.48
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1C	REAL300000315714	0	40	-2.0	-129.90	363.98	6.66	-123.24
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C	REAL300000315715	0	38	-2.0	-129.36	343.20	4.79	-124.57
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000315716	1	41	-2.0	-114.62	364.96	5.46	-109.16
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C	REAL300000315717	1	44	-2.0	-130.63	381.56	6.91	-123.72
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C	REAL300000315718	0	37	-2.0	-118.88	336.51	2.82	-116.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(NC(C)=O)=C1	REAL300000315719	0	42	-2.0	-114.07	367.74	4.55	-109.52
CC(=O)NC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1C	REAL300000315720	0	35	-2.0	-109.83	340.68	3.78	-106.05
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C	REAL300000315721	1	45	-2.0	-116.33	386.37	6.69	-109.64
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C	REAL300000315722	1	45	-2.0	-122.05	386.00	6.67	-115.38
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(NC(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000315723	0	41	-2.0	-115.52	362.39	4.80	-110.72
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000315724	1	42	-2.0	-119.81	378.15	5.78	-114.03
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000315725	1	42	-2.0	-109.31	373.61	5.75	-103.56
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000315726	1	42	-2.0	-123.04	373.61	5.74	-117.30
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000315727	1	45	-2.0	-124.20	389.63	6.27	-117.93
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000315728	0	42	-2.0	-121.46	379.08	5.80	-115.66
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000315729	0	39	-2.0	-116.84	366.80	4.76	-112.08
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000315730	1	45	-2.0	-125.47	389.05	6.53	-118.94
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000315731	0	43	-2.0	-120.96	380.26	5.09	-115.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(=O)NC3CC3)=CC=C2C)=C1	REAL300000315732	0	42	-2.0	-112.71	382.72	5.44	-107.27
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000315733	0	39	-2.0	-118.25	365.27	4.77	-113.48
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)NC3CC3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000315734	0	42	-2.0	-117.18	376.62	4.88	-112.30
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)NC3CC3)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000315735	0	42	-2.0	-121.05	383.30	5.62	-115.43
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000315736	1	42	-2.0	-108.49	378.14	5.78	-102.71
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000315737	0	39	-2.0	-111.32	365.88	4.87	-106.45
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000315738	1	42	-2.0	-113.25	380.03	5.81	-107.44
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000315739	0	42	-2.0	-108.64	379.07	5.81	-102.83
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000315740	0	43	-2.0	-124.74	383.31	3.46	-121.28
CC1=CC=C(C(=O)NC2CC2)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000315740	1	43	-2.0	-123.33	380.75	4.30	-119.03
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000315741	1	45	-2.0	-114.16	395.79	6.53	-107.63
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000315742	1	45	-2.0	-117.62	383.65	6.39	-111.23
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)NC3CC3)=CC=C2C)C=C1C(=O)[O-]	REAL300000315744	0	46	-2.0	-122.26	401.56	5.95	-116.31
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000315745	1	45	-2.0	-109.58	389.62	6.29	-103.29
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000315746	0	42	-2.0	-125.65	377.24	5.77	-119.88
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000315747	0	41	-2.0	-122.12	370.58	3.80	-118.32
CC1=CC=C(C(=O)NC2CC2)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000315748	0	39	-2.0	-110.28	373.72	4.71	-105.57
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)NC3CC3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000315749	0	45	-2.0	-117.21	395.74	5.73	-111.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=CC=C1F	REAL300000315750	0	33	-2.0	-115.03	315.93	5.51	-109.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1	REAL300000315751	1	33	-2.0	-105.41	311.39	5.48	-99.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1	REAL300000315752	0	33	-2.0	-117.50	311.40	5.48	-112.02
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NN=N1	REAL300000315753	0	37	-2.0	-120.63	339.54	5.27	-115.36
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1	REAL300000315754	0	37	-2.0	-103.34	342.85	6.76	-96.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1C(=O)[O-]	REAL300000315755	1	36	-2.0	-118.77	327.42	5.99	-112.78
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1	REAL300000315756	0	33	-2.0	-111.16	324.47	6.03	-105.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=CC=C1Cl	REAL300000315757	0	33	-2.0	-113.41	323.91	5.87	-107.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1C	REAL300000315758	0	39	-2.0	-118.14	343.79	6.77	-111.37
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1	REAL300000315759	0	33	-2.0	-113.59	316.87	5.54	-108.05
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1	REAL300000315760	0	39	-2.0	-102.25	354.96	7.06	-95.19
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1	REAL300000315761	0	30	-2.0	-112.34	304.59	4.48	-107.86
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NN=N1	REAL300000315762	0	36	-2.0	-116.08	326.83	6.25	-109.83
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1	REAL300000315763	1	37	-2.0	-102.13	342.47	5.75	-96.38
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1C(=O)[O-]	REAL300000315764	0	34	-2.0	-116.01	318.05	4.81	-111.20
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NN=N1	REAL300000315765	1	37	-2.0	-116.23	335.60	4.29	-111.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1	REAL300000315766	0	33	-2.0	-108.64	320.51	5.14	-103.50
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1C(=O)[O-]	REAL300000315767	1	39	-2.0	-118.73	346.85	6.89	-111.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=CS1	REAL300000315768	0	30	-2.0	-113.41	303.05	4.50	-108.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1C(=O)[O-]	REAL300000315769	1	37	-2.0	-123.42	338.69	5.54	-117.88
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1	REAL300000315770	0	43	-2.0	-120.06	366.63	8.10	-111.96
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NN=N1	REAL300000315771	0	42	-2.0	-117.20	363.56	7.49	-109.71
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NN=N1	REAL300000315772	0	39	-2.0	-113.63	336.35	7.14	-106.49
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NN=N1	REAL300000315773	0	40	-2.0	-122.35	361.83	6.04	-116.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=CC(C(=O)[O-])=C1	REAL300000315774	0	35	-3.0	-198.10	339.80	6.04	-192.06
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2N2C=NN=N2)=CC(C(=O)[O-])=C1	REAL300000315774	1	36	-2.0	-116.08	337.83	6.05	-110.03
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1	REAL300000315775	0	40	-2.0	-120.54	355.64	7.36	-113.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C(C(=O)[O-])O1	REAL300000315776	0	33	-2.0	-110.71	314.40	4.60	-106.11
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1	REAL300000315777	0	37	-2.0	-120.15	340.32	4.57	-115.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C(Cl)C=C1F	REAL300000315778	0	33	-2.0	-108.09	328.99	6.07	-102.02
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=CC=C1OCC(=O)[O-]	REAL300000315779	1	40	-2.0	-102.68	362.55	6.46	-96.22
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NN=N1	REAL300000315780	0	36	-2.0	-107.93	331.70	6.30	-101.63
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1F	REAL300000315781	0	37	-2.0	-101.79	348.69	5.80	-95.99
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1C(=O)[O-]	REAL300000315782	1	40	-2.0	-124.14	360.53	6.45	-117.69
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C(C(=O)[O-])S1	REAL300000315783	0	33	-2.0	-113.01	321.09	5.36	-107.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C(Cl)=C1	REAL300000315784	0	33	-2.0	-102.44	324.45	6.03	-96.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1F	REAL300000315785	0	33	-2.0	-104.98	315.93	5.51	-99.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)S1	REAL300000315786	0	30	-2.0	-107.34	303.65	4.61	-102.73
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1	REAL300000315787	0	33	-2.0	-108.77	317.80	5.53	-103.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1F	REAL300000315788	0	36	-2.0	-115.16	337.16	6.17	-108.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C(F)=C1	REAL300000315789	0	33	-2.0	-105.12	316.86	5.54	-99.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1Cl	REAL300000315790	0	33	-2.0	-102.97	323.90	5.87	-97.10
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NN=N1	REAL300000315791	0	36	-2.0	-109.42	340.43	6.68	-102.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=CC(F)=C1F	REAL300000315792	0	33	-2.0	-106.97	322.22	5.56	-101.41
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1	REAL300000315793	0	35	-2.0	-103.06	339.59	6.14	-96.92
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1	REAL300000315794	0	34	-2.0	-114.32	321.11	3.18	-111.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1	REAL300000315795	0	36	-2.0	-107.15	333.56	6.25	-100.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=CC(Cl)=C1F	REAL300000315796	0	33	-2.0	-108.36	332.10	6.00	-102.36
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NN=N1	REAL300000315797	0	36	-2.0	-115.00	321.44	6.11	-108.89
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=CC(C(=O)[O-])=C1F	REAL300000315798	0	36	-2.0	-116.60	336.24	6.11	-110.49
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NN=N1	REAL300000315799	1	36	-2.0	-104.96	326.81	6.24	-98.72
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=CC(C(=O)[O-])=C1C	REAL300000315800	1	39	-2.0	-122.18	348.89	6.67	-115.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=CC=C1[N+](=O)[O-]	REAL300000315801	0	35	-2.0	-116.18	337.95	6.56	-109.62
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1	REAL300000315802	0	33	-2.0	-106.13	323.13	5.59	-100.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C(C)=C1C(=O)[O-]	REAL300000315803	1	39	-2.0	-119.53	345.87	6.86	-112.67
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1C(=O)[O-]	REAL300000315804	0	36	-2.0	-116.02	336.71	6.15	-109.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1Cl	REAL300000315805	0	36	-2.0	-113.06	343.16	6.61	-106.45
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1	REAL300000315806	0	36	-2.0	-124.26	336.43	6.15	-118.11
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1C(=O)[O-]	REAL300000315807	1	39	-2.0	-119.47	345.72	6.65	-112.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1CC(=O)[O-]	REAL300000315808	1	40	-2.0	-121.70	361.86	5.61	-116.09
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NN=N1	REAL300000315809	0	36	-2.0	-108.30	337.66	6.66	-101.64
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=CC(C(=O)[O-])=C1Cl	REAL300000315810	0	36	-2.0	-115.38	342.63	6.43	-108.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1C(=O)[O-]	REAL300000315811	0	37	-2.0	-117.35	339.43	5.69	-111.66
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1C(=O)[O-]	REAL300000315812	0	36	-2.0	-112.38	345.17	6.54	-105.84
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=CC=C1C(=O)[O-]	REAL300000315813	1	36	-2.0	-105.57	327.41	6.01	-99.56
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NN=N1	REAL300000315814	1	36	-2.0	-113.82	330.93	6.30	-107.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1[N+](=O)[O-]	REAL300000315815	0	35	-2.0	-125.19	335.13	7.31	-117.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1F	REAL300000315816	0	33	-2.0	-123.23	315.02	5.49	-117.74
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C1C(=O)[O-]	REAL300000315817	0	36	-2.0	-110.71	336.36	6.14	-104.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=CC2=CC=CC=C21	REAL300000315818	0	39	-2.0	-126.25	352.44	7.59	-118.66
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C1	REAL300000315819	0	32	-2.0	-112.36	308.39	3.54	-108.82
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NN=N1	REAL300000315820	0	37	-2.0	-108.72	339.60	5.26	-103.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)=C(Cl)O1	REAL300000315821	0	30	-2.0	-105.41	311.50	4.44	-100.97
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3N3C=NN=N3)C=C2)CC1	REAL300000315822	0	40	-2.0	-110.30	357.52	7.36	-102.94
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3N3C=NN=N3)C=C2C1	REAL300000315823	0	40	-2.0	-116.57	355.49	7.34	-109.23
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NN=N2)C=C(C(=O)[O-])O1	REAL300000315824	0	36	-2.0	-109.59	329.13	5.47	-104.12
CN(C1=CC=CC=C1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000315825	1	43	-2.0	-97.43	378.64	9.09	-88.34
CN(C1=CC=CC=C1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000315826	1	43	-2.0	-109.96	378.65	9.09	-100.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315827	1	46	-2.0	-112.53	394.67	9.61	-102.92
CN(C1=CC=CC=C1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000315828	0	40	-2.0	-104.32	371.84	8.11	-96.21
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N(C)C1=CC=CC=C1	REAL300000315829	1	46	-2.0	-112.14	394.08	9.87	-102.27
CN(C1=CC=CC=C1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000315830	0	44	-2.0	-108.25	385.30	8.44	-99.81
CN(C1=CC=CC=C1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000315831	0	40	-2.0	-106.54	370.30	8.12	-98.42
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N(C)C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000315832	0	43	-2.0	-104.85	381.66	8.23	-96.62
CN(C1=CC=CC=C1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000315833	0	40	-2.0	-99.26	370.91	8.22	-91.04
CN(C1=CC=CC=C1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000315834	0	44	-2.0	-108.85	388.37	6.80	-102.05
CN(C1=CC=CC=C1)C1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000315834	1	44	-2.0	-105.38	378.59	7.49	-97.89
CN(C1=CC=CC=C1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000315835	1	46	-2.0	-101.42	400.82	9.87	-91.55
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N(C)C1=CC=CC=C1	REAL300000315836	1	46	-2.0	-106.13	388.69	9.74	-96.39
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N(C)C1=CC=CC=C1	REAL300000315837	1	46	-2.0	-96.92	394.06	9.86	-87.06
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000315838	0	47	-2.0	-110.54	406.67	9.30	-101.24
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N(C)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000315839	1	46	-2.0	-99.10	398.72	9.74	-89.36
CN(C1=CC=CC=C1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000315840	0	42	-2.0	-108.19	374.86	7.20	-100.99
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000315841	1	41	-2.0	-121.29	361.16	5.63	-115.66
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000315842	1	41	-2.0	-110.47	357.15	5.60	-104.87
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000315843	1	41	-2.0	-126.44	354.86	5.44	-121.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)N(C)C)=CC=C1C	REAL300000315844	0	45	-2.0	-133.01	384.41	5.37	-127.64
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000315845	1	45	-2.0	-109.54	387.84	6.89	-102.65
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000315846	1	44	-2.0	-123.93	372.98	6.15	-117.78
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000315847	0	41	-2.0	-118.63	370.79	6.18	-112.45
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000315848	1	41	-2.0	-119.88	369.14	5.99	-113.89
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000315849	1	47	-2.0	-126.11	390.04	6.96	-119.15
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000315850	0	41	-2.0	-120.82	363.20	5.67	-115.15
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000315851	1	47	-2.0	-108.89	399.83	7.19	-101.70
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000315852	0	38	-2.0	-116.14	350.90	4.62	-111.52
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000315853	1	44	-2.0	-124.24	373.15	6.39	-117.85
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000315855	0	42	-2.0	-120.90	362.92	4.96	-115.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(=O)N(C)C)=CC=C2C)=C1	REAL300000315857	0	41	-2.0	-116.44	363.96	5.12	-111.32
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000315859	0	38	-2.0	-119.22	347.92	4.64	-114.58
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)N(C)C)=CC=C1C	REAL300000315861	1	47	-2.0	-127.10	384.30	7.15	-119.95
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)N(C)C)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000315862	0	41	-2.0	-119.55	358.90	4.71	-114.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)N(C)C)=CC=C2C)=C1	REAL300000315863	0	45	-2.0	-122.41	386.29	4.71	-117.70
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000315864	1	44	-2.0	-95.11	378.44	6.46	-88.65
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)N(C)C)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000315865	0	41	-2.0	-120.09	367.41	5.49	-114.60
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000315866	0	41	-2.0	-106.89	371.17	6.14	-100.75
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000315867	1	41	-2.0	-109.68	361.70	5.64	-104.04
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000315868	0	38	-2.0	-111.74	350.38	4.71	-107.03
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000315869	1	41	-2.0	-117.26	361.27	5.51	-111.75
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000315870	0	44	-2.0	-125.50	381.64	6.27	-119.23
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000315871	0	41	-2.0	-109.16	363.58	5.65	-103.51
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000315872	1	41	-2.0	-107.64	369.12	6.00	-101.64
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000315873	1	41	-2.0	-113.48	367.08	5.67	-107.81
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000315874	0	42	-2.0	-127.23	365.61	3.29	-123.94
CC1=CC=C(C(=O)N(C)C)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000315874	1	42	-2.0	-125.43	361.59	4.09	-121.34
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000315875	1	44	-2.0	-118.06	377.02	6.23	-111.83
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000315876	1	44	-2.0	-119.30	366.43	6.20	-113.10
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000315877	1	44	-2.0	-122.80	380.72	6.23	-116.57
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000315879	1	47	-2.0	-126.89	389.26	6.69	-120.20
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000315880	0	41	-2.0	-114.92	368.00	5.70	-109.22
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000315882	0	44	-2.0	-124.73	382.68	6.29	-118.44
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)N(C)C)=CC=C2C)=C1	REAL300000315883	0	44	-2.0	-126.91	382.42	6.30	-120.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)N(C)C)=CC=C2C)C=C1C(=O)[O-]	REAL300000315884	1	47	-2.0	-127.13	390.96	6.77	-120.36
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)N(C)C)=CC=C2C)C=C1C(=O)[O-]	REAL300000315885	0	45	-2.0	-125.76	382.80	5.64	-120.12
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000315886	1	44	-2.0	-111.73	372.40	6.12	-105.61
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000315887	1	44	-2.0	-121.59	377.66	6.42	-115.17
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000315888	0	41	-2.0	-126.72	361.75	5.61	-121.11
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000315889	1	44	-2.0	-116.58	377.10	6.16	-110.42
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000315890	0	40	-2.0	-121.51	354.69	3.67	-117.84
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)N(C)C)=CC=C1C	REAL300000315891	0	45	-2.0	-113.61	385.57	5.41	-108.20
CC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000315892	0	38	-2.0	-110.47	357.78	4.58	-105.89
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)N(C)C)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000315893	0	44	-2.0	-116.47	379.83	5.59	-110.88
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000315894	0	39	-2.0	-101.16	365.16	-1.60	-102.76
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000315895	0	32	-2.0	-116.68	313.23	-0.14	-116.82
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(N)=O)N=C1	REAL300000315896	0	40	-2.0	-118.80	368.31	0.93	-117.87
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000315897	0	32	-2.0	-107.54	308.68	-0.18	-107.72
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000315898	0	32	-2.0	-119.24	308.71	-0.19	-119.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(N)=O)N=C1	REAL300000315899	0	36	-2.0	-125.66	336.84	-0.37	-126.03
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000315900	0	36	-2.0	-107.14	340.15	1.11	-106.03
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000315901	0	35	-2.0	-122.19	324.71	0.35	-121.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)=C1C	REAL300000315902	0	38	-2.0	-122.99	341.09	1.14	-121.85
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000315903	0	32	-2.0	-117.36	314.19	-0.12	-117.48
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000315904	0	38	-2.0	-106.75	352.27	1.41	-105.34
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000315905	0	29	-2.0	-113.48	301.89	-1.15	-114.63
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(N)=O)N=C1	REAL300000315906	0	35	-2.0	-121.13	324.12	0.61	-120.52
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000315907	0	36	-2.0	-105.93	339.77	0.10	-105.83
CN1C=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000315908	0	33	-2.0	-117.79	315.33	-0.82	-118.61
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(N)=O)N=C1	REAL300000315909	0	36	-2.0	-121.34	332.92	-1.36	-122.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)=C1	REAL300000315910	0	32	-2.0	-110.67	317.80	-0.50	-111.17
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000315911	0	38	-2.0	-122.31	340.15	1.13	-121.18
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000315912	0	29	-2.0	-114.82	300.34	-1.14	-115.96
COC1=CC(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000315913	0	40	-2.0	-121.21	367.00	-0.36	-121.57
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000315914	0	36	-2.0	-125.07	335.98	-0.11	-125.18
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000315915	0	42	-2.0	-125.02	363.96	2.45	-122.57
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(N)=O)N=C1	REAL300000315916	0	41	-2.0	-123.24	362.61	1.83	-121.41
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(N)=O)N=C1	REAL300000315917	0	38	-2.0	-119.63	338.86	1.53	-118.10
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(N)=O)N=C1	REAL300000315918	0	39	-2.0	-125.19	359.12	0.40	-124.79
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000315919	0	34	-3.0	-194.24	337.10	0.39	-193.85
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000315920	0	39	-2.0	-125.30	352.96	1.72	-123.58
CC1=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C(C(=O)[O-])O1	REAL300000315921	0	32	-2.0	-113.93	311.72	-1.03	-114.96
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000315922	0	38	-2.0	-124.08	350.85	-0.39	-124.47
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)=C1	REAL300000315923	0	36	-2.0	-121.59	337.69	-1.08	-122.67
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000315924	0	40	-2.0	-107.82	362.33	0.44	-107.38
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000315925	0	32	-2.0	-108.97	336.37	0.67	-108.30
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000315926	0	36	-2.0	-104.50	355.80	0.64	-103.86
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)=CC=C1OCC(=O)[O-]	REAL300000315927	0	39	-2.0	-106.48	359.85	0.81	-105.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(N)=O)N=C1	REAL300000315928	0	35	-2.0	-111.57	329.39	0.64	-110.93
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000315929	0	45	-2.0	-106.59	402.29	1.74	-104.85
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000315930	0	36	-2.0	-105.47	345.99	0.16	-105.31
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000315931	0	39	-2.0	-127.44	357.83	0.80	-126.64
CC1=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C(C(=O)[O-])S1	REAL300000315932	0	32	-2.0	-117.31	318.38	-0.29	-117.60
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000315933	0	32	-2.0	-109.53	336.93	0.84	-108.69
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000315934	0	32	-2.0	-105.07	321.73	0.39	-104.68
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000315935	0	32	-2.0	-106.83	313.22	-0.13	-106.96
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000315936	0	29	-2.0	-109.19	300.98	-1.05	-110.24
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000315937	0	32	-2.0	-110.30	315.09	-0.11	-110.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)=C1F	REAL300000315938	0	35	-2.0	-118.81	334.45	0.53	-118.28
COC1=CC(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000315939	0	36	-2.0	-109.75	349.00	0.45	-109.30
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000315940	0	32	-2.0	-106.94	314.15	-0.10	-107.04
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000315941	0	32	-2.0	-105.01	321.19	0.22	-104.79
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(N)=O)N=C1	REAL300000315942	0	35	-2.0	-113.34	338.13	1.03	-112.31
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000315943	0	40	-2.0	-104.23	372.44	1.23	-103.00
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000315944	0	34	-2.0	-104.47	336.87	0.49	-103.98
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000315945	0	33	-2.0	-120.63	318.40	-2.46	-123.09
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000315946	0	35	-2.0	-111.72	330.87	0.60	-111.12
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000315947	0	32	-2.0	-109.81	329.40	0.35	-109.46
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC(N)=O)N=C1	REAL300000315948	0	35	-2.0	-116.13	318.78	0.44	-115.69
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)=CC(C(=O)[O-])=C1F	REAL300000315949	0	35	-2.0	-118.01	333.52	0.48	-117.53
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(N)=O)N=C1	REAL300000315950	0	35	-2.0	-107.78	324.10	0.60	-107.18
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)=CC(C(=O)[O-])=C1C	REAL300000315951	0	38	-2.0	-125.31	345.48	0.99	-124.32
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000315952	0	34	-2.0	-117.22	335.27	0.91	-116.31
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000315953	0	32	-2.0	-108.96	320.44	-0.05	-109.01
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C(C)=C1C(=O)[O-]	REAL300000315954	0	38	-2.0	-120.26	343.19	1.19	-119.07
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000315955	0	35	-2.0	-118.46	330.19	0.42	-118.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)=C1Cl	REAL300000315956	0	35	-2.0	-117.62	340.45	0.96	-116.66
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)=C1	REAL300000315957	0	35	-2.0	-124.75	333.72	0.52	-124.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000315958	0	38	-2.0	-122.90	342.66	1.00	-121.90
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C1CC(=O)[O-]	REAL300000315959	0	39	-2.0	-120.72	359.17	-0.05	-120.77
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(CC(N)=O)N=C1	REAL300000315960	0	35	-2.0	-109.44	334.95	1.00	-108.44
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000315961	0	35	-2.0	-104.21	338.81	0.62	-103.59
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000315962	0	35	-2.0	-116.82	339.91	0.79	-116.03
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000315963	0	36	-2.0	-119.07	336.71	0.05	-119.02
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C(C)=C1CC(=O)[O-]	REAL300000315964	0	44	-2.0	-119.98	373.83	2.70	-117.28
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000315965	0	32	-2.0	-107.64	334.29	0.38	-107.26
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000315966	0	35	-2.0	-115.16	342.46	0.88	-114.28
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000315967	0	36	-2.0	-121.35	349.03	0.46	-120.89
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)=CC=C1C(=O)[O-]	REAL300000315968	0	35	-2.0	-107.64	324.70	0.36	-107.28
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000315969	0	37	-2.0	-111.96	351.97	2.02	-109.94
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(N)=O)N=C1	REAL300000315970	0	35	-2.0	-118.40	328.67	0.63	-117.77
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000315971	0	34	-2.0	-127.23	332.43	1.68	-125.55
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000315972	0	32	-2.0	-123.91	312.35	-0.15	-124.06
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000315973	0	35	-2.0	-113.29	333.65	0.49	-112.80
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000315974	0	38	-2.0	-129.23	349.73	1.95	-127.28
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000315975	0	31	-2.0	-117.12	304.92	-2.05	-119.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(N)=O)N=C1	REAL300000315976	0	36	-2.0	-111.80	336.89	-0.37	-112.17
NC(=O)CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000315977	0	29	-2.0	-107.52	308.86	-1.21	-108.73
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000315978	0	39	-2.0	-114.15	354.83	1.70	-112.45
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000315979	0	39	-2.0	-116.21	354.12	1.71	-114.50
CCC1=C(S(=O)(=O)[N-]C2=CN(CC(N)=O)N=C2)C=C(C(=O)[O-])O1	REAL300000315980	0	35	-2.0	-113.94	330.84	-0.18	-114.12
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000315983	1	39	-2.0	-107.22	354.79	4.14	-103.08
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000315984	0	43	-2.0	-112.25	382.92	3.95	-108.30
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000315985	1	43	-2.0	-95.17	386.23	5.45	-89.72
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000315987	0	39	-2.0	-108.71	367.85	4.72	-103.99
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000315988	1	39	-2.0	-108.33	367.28	4.54	-103.79
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000315989	1	45	-2.0	-116.26	387.17	5.46	-110.80
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000315990	0	39	-2.0	-110.22	360.25	4.21	-106.01
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000315991	1	45	-2.0	-94.34	398.34	5.73	-88.61
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000315992	0	36	-2.0	-106.55	347.96	3.17	-103.38
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000315993	1	42	-2.0	-107.67	370.21	4.93	-102.74
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000315995	1	40	-2.0	-105.90	361.42	3.51	-102.39
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000315997	0	39	-2.0	-102.14	363.91	3.84	-98.30
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000315999	0	36	-2.0	-107.32	346.43	3.18	-104.14
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1	REAL300000316001	1	45	-2.0	-106.09	384.96	5.87	-100.22
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000316002	0	39	-2.0	-101.29	357.81	3.29	-98.00
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000316003	0	43	-2.0	-112.49	383.74	3.24	-109.25
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000316004	1	42	-2.0	-98.61	375.48	4.97	-93.64
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000316005	1	39	-2.0	-104.37	363.40	4.04	-100.33
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000316006	0	39	-2.0	-96.86	367.83	4.71	-92.15
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000316007	1	39	-2.0	-95.19	359.31	4.19	-91.00
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000316008	0	36	-2.0	-97.29	347.04	3.28	-94.01
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000316009	1	39	-2.0	-103.20	361.18	4.22	-98.98
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000316010	0	42	-2.0	-111.60	380.53	4.86	-106.74
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000316011	0	39	-2.0	-98.46	360.24	4.22	-94.24
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000316012	1	39	-2.0	-93.20	367.28	4.55	-88.65
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000316013	0	40	-2.0	-106.56	364.50	1.86	-104.70
CCOC(=O)NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000316013	1	40	-2.0	-113.57	363.73	2.70	-110.87
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000316014	1	42	-2.0	-98.54	376.95	4.93	-93.61
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000316015	1	42	-2.0	-105.57	367.22	4.89	-100.68
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000316020	0	42	-2.0	-111.26	376.33	4.75	-106.51
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000316021	0	42	-2.0	-115.52	379.79	4.84	-110.68
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000316023	1	43	-2.0	-107.19	382.80	4.37	-102.82
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000316026	0	39	-2.0	-112.69	358.44	4.19	-108.50
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000316027	1	42	-2.0	-104.34	379.63	4.82	-99.52
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000316028	0	38	-2.0	-109.33	350.99	2.26	-107.07
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000316029	0	43	-2.0	-103.75	382.98	3.95	-99.80
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000316030	0	36	-2.0	-95.49	354.92	3.13	-92.36
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000316031	0	42	-2.0	-101.08	376.91	4.15	-96.93
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC=C2C)C(C(=O)[O-])=C1	REAL300000316032	1	46	-2.0	-129.63	397.76	8.86	-120.77
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000316033	1	43	-2.0	-132.32	382.33	8.09	-124.23
CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C(C(=O)[O-])=C1	REAL300000316036	0	37	-2.0	-136.82	336.04	7.71	-129.11
CCCC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316037	0	40	-2.0	-96.68	359.35	7.08	-89.60
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C(C(=O)[O-])=C1	REAL300000316038	0	36	-2.0	-118.00	339.40	6.06	-111.94
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000316039	1	38	-2.0	-123.91	348.38	7.82	-116.09
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C(C(=O)[O-])=C1	REAL300000316040	1	38	-2.0	-119.38	348.36	7.82	-111.56
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C(C(=O)[O-])=C1	REAL300000316041	0	37	-2.0	-125.74	349.77	8.02	-117.72
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000316042	0	38	-2.0	-136.45	345.61	7.72	-128.73
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C(C(=O)[O-])=C1	REAL300000316043	0	37	-2.0	-127.51	344.03	8.13	-119.38
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316044	0	40	-2.0	-101.39	358.85	7.96	-93.43
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C(C(=O)[O-])=C1	REAL300000316046	1	46	-2.0	-129.86	390.37	7.37	-122.49
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316047	1	42	-2.0	-126.75	371.74	8.63	-118.12
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000316048	1	40	-2.0	-119.79	366.30	8.44	-111.35
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000316050	0	40	-2.0	-102.98	354.06	7.93	-95.05
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000316051	0	45	-2.0	-137.05	385.28	6.51	-130.54
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000316052	1	45	-2.0	-127.70	386.27	6.64	-121.06
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)ON=C2C)C(C(=O)[O-])=C1	REAL300000316054	0	39	-2.0	-118.37	340.63	6.39	-111.98
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316055	1	37	-2.0	-118.73	359.46	8.41	-110.32
CCCC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316056	0	40	-2.0	-119.40	354.17	7.93	-111.47
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316056	1	39	-3.0	-206.63	356.01	7.99	-198.64
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000316057	1	37	-2.0	-117.42	340.24	7.55	-109.87
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000316058	0	37	-2.0	-122.98	357.40	8.52	-114.46
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000316059	1	40	-2.0	-124.36	366.62	8.44	-115.92
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2)C(C(=O)[O-])=C1	REAL300000316060	1	40	-2.0	-130.61	348.97	8.09	-122.52
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000316062	0	40	-2.0	-130.43	352.06	8.79	-121.64
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316063	1	37	-2.0	-125.13	344.27	7.95	-117.18
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000316064	1	42	-2.0	-127.23	368.78	7.85	-119.38
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2C)C(C(=O)[O-])=C1	REAL300000316065	1	43	-2.0	-129.60	364.44	8.87	-120.73
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316067	1	37	-2.0	-117.80	350.13	8.00	-109.80
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)C(C(=O)[O-])=C1	REAL300000316068	1	42	-2.0	-139.36	368.03	7.82	-131.54
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OCC)C=C2)C(C(=O)[O-])=C1	REAL300000316070	1	46	-2.0	-122.74	404.18	9.02	-113.72
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C(C(=O)[O-])=C1	REAL300000316071	0	37	-2.0	-126.09	355.86	8.45	-117.64
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316072	1	43	-2.0	-125.04	383.06	8.18	-116.86
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C(=O)[O-])=C1	REAL300000316076	0	43	-3.0	-208.19	384.15	7.79	-200.40
CCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C(=O)[O-])=C1	REAL300000316076	1	44	-2.0	-120.16	380.18	7.68	-112.48
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000316077	0	44	-2.0	-103.60	385.54	9.22	-94.38
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000316077	1	43	-3.0	-187.43	387.46	9.29	-178.14
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000316078	0	34	-2.0	-120.24	336.51	7.05	-113.19
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC)C(C(=O)[O-])=C1	REAL300000316080	0	41	-2.0	-136.02	355.80	7.22	-128.80
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316081	0	43	-2.0	-100.87	370.05	8.46	-92.41
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000316082	0	37	-2.0	-123.91	345.60	7.62	-116.29
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316083	1	37	-2.0	-119.37	361.00	8.46	-110.91
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000316084	0	37	-2.0	-129.03	340.67	8.00	-121.03
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C(C(=O)[O-])=C1	REAL300000316085	1	37	-2.0	-125.04	348.84	8.06	-116.98
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316086	1	39	-2.0	-124.90	355.76	8.10	-116.80
CCCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000316087	1	42	-2.0	-121.46	371.25	8.88	-112.58
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316088	1	39	-2.0	-118.11	368.21	8.48	-109.63
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C(C(=O)[O-])=C1	REAL300000316089	0	34	-2.0	-126.68	319.47	6.44	-120.24
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316091	0	39	-2.0	-141.54	348.63	8.85	-132.69
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000316092	0	39	-3.0	-196.91	369.08	8.55	-188.36
CCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000316092	1	40	-2.0	-99.00	366.26	8.11	-90.89
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316093	0	40	-2.0	-98.92	366.84	8.32	-90.60
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316093	1	39	-3.0	-201.73	368.51	8.38	-193.35
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000316096	0	37	-2.0	-124.80	339.45	7.56	-117.24
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000316097	1	37	-2.0	-125.29	333.95	7.50	-117.79
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000316098	1	37	-2.0	-118.48	340.36	7.57	-110.91
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C(C(=O)[O-])=C1	REAL300000316100	1	43	-2.0	-129.93	372.03	6.59	-123.34
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)C(C(=O)[O-])=C1	REAL300000316102	1	52	-2.0	-131.15	419.23	10.53	-120.62
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C(C(=O)[O-])=C1	REAL300000316103	1	37	-2.0	-121.66	344.28	7.95	-113.71
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C(C(=O)[O-])=C1	REAL300000316104	1	37	-2.0	-121.73	348.84	8.06	-113.67
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000316105	0	39	-2.0	-115.18	355.77	8.10	-107.08
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000316106	1	37	-2.0	-129.52	327.53	7.43	-122.09
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000316107	1	44	-2.0	-133.93	383.63	6.32	-127.61
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)S2)C(C(=O)[O-])=C1	REAL300000316108	0	37	-2.0	-128.29	341.37	7.23	-121.06
CCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000316109	0	46	-2.0	-99.76	385.81	9.27	-90.49
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000316109	1	45	-3.0	-203.96	389.11	9.33	-194.63
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2OC)C(C(=O)[O-])=C1	REAL300000316110	0	41	-2.0	-128.10	372.53	7.74	-120.36
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316111	0	39	-2.0	-131.27	365.34	9.37	-121.90
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(=O)[O-])=C1	REAL300000316112	0	39	-3.0	-200.60	361.47	8.05	-192.55
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316113	0	34	-2.0	-117.69	350.39	7.59	-110.10
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000316115	1	42	-2.0	-124.92	365.79	8.71	-116.21
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000316116	0	37	-2.0	-127.56	339.43	7.56	-120.00
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000316117	0	46	-2.0	-99.82	397.73	9.51	-90.31
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000316117	1	45	-3.0	-186.47	399.58	9.58	-176.89
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(=O)CC)C=C2)C(C(=O)[O-])=C1	REAL300000316118	1	47	-2.0	-133.74	404.22	7.14	-126.60
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C(C(=O)[O-])=C1	REAL300000316119	1	41	-2.0	-122.64	363.28	4.25	-118.39
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(SC)C=C2)C(C(=O)[O-])=C1	REAL300000316120	1	41	-2.0	-127.03	367.74	8.46	-118.57
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C(C(=O)[O-])=C1	REAL300000316121	1	42	-2.0	-124.21	369.56	5.88	-118.33
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C(C(=O)[O-])=C1	REAL300000316122	1	45	-2.0	-125.37	387.37	6.62	-118.75
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(=O)[O-])=C1	REAL300000316124	0	36	-3.0	-199.01	349.19	7.02	-191.99
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C(C(=O)[O-])=C1	REAL300000316125	1	40	-2.0	-122.03	359.29	4.94	-117.09
CCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000316127	0	43	-2.0	-98.21	367.71	8.68	-89.53
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000316127	1	42	-3.0	-201.73	371.44	8.78	-192.95
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)C(C(=O)[O-])=C1	REAL300000316128	0	43	-2.0	-127.40	364.24	6.46	-120.94
CCCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000316129	1	45	-2.0	-121.76	388.97	9.43	-112.33
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C=C2)C(C(=O)[O-])=C1	REAL300000316130	1	43	-2.0	-123.10	382.32	8.10	-115.00
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC)C=C2)C(C(=O)[O-])=C1	REAL300000316131	1	44	-2.0	-127.45	383.98	5.71	-121.74
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000316132	1	42	-2.0	-129.96	381.78	2.39	-127.57
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C(C(=O)[O-])=C1	REAL300000316133	1	41	-2.0	-127.25	362.05	4.21	-123.04
CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000316135	1	43	-2.0	-133.73	373.49	9.72	-124.01
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)OC)SC=C2)C(C(=O)[O-])=C1	REAL300000316136	0	40	-2.0	-138.35	367.12	7.74	-130.61
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000316138	0	44	-2.0	-101.17	385.21	8.21	-92.96
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C(C(=O)[O-])=C1	REAL300000316141	0	37	-2.0	-134.50	333.04	7.50	-127.00
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C(C(=O)[O-])=C1	REAL300000316142	1	42	-2.0	-124.04	369.92	7.94	-116.10
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)C(C(=O)[O-])=C1	REAL300000316143	0	45	-2.0	-147.63	388.89	8.70	-138.93
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)C(C(=O)[O-])=C1	REAL300000316145	0	40	-2.0	-129.21	362.09	8.66	-120.55
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C(C(=O)[O-])=C1	REAL300000316147	1	42	-2.0	-134.18	381.72	2.39	-131.79
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)C(C(=O)[O-])=C1	REAL300000316148	1	45	-2.0	-124.79	390.37	7.86	-116.93
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316149	0	43	-2.0	-137.19	378.09	8.15	-129.04
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C(C(=O)[O-])=C1	REAL300000316150	1	42	-2.0	-120.55	375.23	8.94	-111.61
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)C(C(=O)[O-])=C1	REAL300000316151	1	43	-2.0	-123.88	381.68	7.39	-116.49
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000316152	1	43	-2.0	-135.30	388.24	4.96	-130.34
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C(C(=O)[O-])=C1	REAL300000316154	0	37	-2.0	-119.99	347.07	8.06	-111.93
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2F)C(C(=O)[O-])=C1	REAL300000316155	0	44	-2.0	-144.03	389.10	6.39	-137.64
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C(C(=O)[O-])=C1	REAL300000316156	1	43	-2.0	-139.54	388.24	4.96	-134.58
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C=C2F)C(C(=O)[O-])=C1	REAL300000316158	0	45	-2.0	-129.81	391.75	6.70	-123.11
CCCC1=CC=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316160	0	41	-2.0	-116.81	362.50	7.33	-109.48
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316160	1	40	-3.0	-204.32	362.65	7.35	-196.97
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C(C(=O)[O-])=C1	REAL300000316161	0	37	-2.0	-135.70	345.01	6.99	-128.71
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000316162	0	42	-2.0	-125.59	369.49	3.60	-121.99
CCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C(=O)[O-])=C1	REAL300000316163	0	44	-2.0	-99.66	376.48	6.73	-92.93
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2)C(C(=O)[O-])=C1	REAL300000316166	1	41	-2.0	-124.43	363.26	6.81	-117.62
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000316169	1	44	-2.0	-122.64	378.13	4.88	-117.76
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2)C(C(=O)[O-])=C1	REAL300000316171	0	37	-2.0	-124.73	332.09	5.14	-119.59
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000316172	1	42	-2.0	-114.35	371.25	8.88	-105.47
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)NC)=C2)C(C(=O)[O-])=C1	REAL300000316174	0	45	-2.0	-126.53	391.42	5.09	-121.44
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)C(C(=O)[O-])=C1	REAL300000316175	1	40	-2.0	-123.59	359.75	8.73	-114.86
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=C(C)C=C3)N=C2)C(C(=O)[O-])=C1	REAL300000316177	0	47	-2.0	-127.41	409.51	9.23	-118.18
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C(=O)[O-])=C1	REAL300000316180	0	39	-3.0	-194.43	365.11	7.68	-186.75
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316181	1	38	-2.0	-115.82	363.76	8.24	-107.58
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C(C(=O)[O-])=C1	REAL300000316182	1	38	-2.0	-116.48	363.76	8.24	-108.24
CCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300000316183	0	46	-2.0	-97.86	383.56	9.23	-88.63
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000316184	1	41	-2.0	-133.00	365.90	7.80	-125.20
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316185	1	40	-2.0	-126.27	363.00	8.55	-117.72
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000316186	0	37	-2.0	-131.23	349.20	8.00	-123.23
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2OC)C(C(=O)[O-])=C1	REAL300000316188	0	43	-2.0	-121.31	384.01	7.89	-113.42
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000316189	1	47	-2.0	-136.03	396.90	9.09	-126.94
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)C(C(=O)[O-])=C1	REAL300000316190	1	40	-2.0	-126.06	354.27	8.14	-117.92
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)C(C(=O)[O-])=C1	REAL300000316191	1	40	-2.0	-120.89	359.76	8.71	-112.18
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C(C(=O)[O-])=C1	REAL300000316192	0	40	-2.0	-135.08	354.43	8.16	-126.92
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)C(C(=O)[O-])=C1	REAL300000316193	1	40	-2.0	-123.46	349.43	8.27	-115.19
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316195	0	42	-2.0	-143.28	361.17	9.69	-133.59
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C(C(=O)[O-])=C1	REAL300000316196	1	47	-2.0	-141.12	399.34	7.29	-133.83
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000316197	0	45	-2.0	-147.69	388.81	8.71	-138.98
CCCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316198	0	36	-3.0	-200.85	347.66	7.03	-193.82
CCCC1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316198	1	37	-2.0	-100.18	347.15	7.00	-93.18
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000316199	0	39	-2.0	-114.53	368.89	8.67	-105.86
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316200	0	44	-2.0	-126.04	381.32	8.00	-118.04
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)C(C(=O)[O-])=C1	REAL300000316201	1	45	-2.0	-131.22	377.64	8.82	-122.40
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316203	0	39	-2.0	-133.11	352.45	8.87	-124.24
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C(C(=O)[O-])=C1	REAL300000316204	1	47	-2.0	-130.36	401.73	10.85	-119.51
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316205	0	39	-2.0	-138.07	360.93	8.81	-129.26
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2O)C(C(=O)[O-])=C1	REAL300000316208	0	41	-2.0	-128.44	358.73	5.80	-122.64
CCCC1=CC=C(NS(=O)(=O)C2=CC(C)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000316208	1	41	-2.0	-114.23	352.56	6.65	-107.58
CCCC1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C(C(=O)[O-])=C1	REAL300000316209	0	34	-2.0	-121.35	309.12	3.83	-117.52
CCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C(C(=O)[O-])=C1	REAL300000316210	0	46	-2.0	-103.39	382.82	9.10	-94.29
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C(C(=O)[O-])=C1	REAL300000316210	1	45	-3.0	-195.73	381.65	9.53	-186.20
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C(C(=O)[O-])=C1	REAL300000316211	0	40	-2.0	-133.63	367.07	8.34	-125.29
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)S2)C(C(=O)[O-])=C1	REAL300000316212	0	40	-2.0	-120.84	375.41	7.19	-113.65
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316213	0	45	-2.0	-142.01	387.74	10.06	-131.95
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C(C(=O)[O-])=C1	REAL300000316214	1	41	-2.0	-119.32	365.34	7.80	-111.52
CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000316215	0	37	-2.0	-125.36	342.46	7.79	-117.57
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316216	0	39	-3.0	-193.84	359.01	7.14	-186.70
CCCC1=CC=C(NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316216	1	40	-2.0	-98.53	356.68	6.67	-91.86
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C(C(=O)[O-])=C1	REAL300000316217	0	40	-2.0	-150.68	355.73	6.63	-144.05
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC=C2F)C(C(=O)[O-])=C1	REAL300000316218	0	43	-2.0	-132.94	387.79	8.14	-124.80
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2OCC)C(C(=O)[O-])=C1	REAL300000316219	0	47	-2.0	-138.74	399.07	8.81	-129.93
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316220	0	39	-2.0	-140.66	361.26	9.59	-131.07
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C(C(=O)[O-])=C1	REAL300000316221	1	42	-2.0	-138.36	375.87	7.60	-130.76
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C(C(=O)[O-])=C1	REAL300000316222	0	36	-2.0	-118.76	343.86	6.24	-112.52
CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316223	0	39	-2.0	-145.13	353.56	9.06	-136.07
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(=O)[O-])=C1	REAL300000316224	0	43	-3.0	-215.55	384.92	7.08	-208.47
CCCC1=CC=C(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(=O)[O-])=C1	REAL300000316224	1	44	-2.0	-110.66	382.28	6.60	-104.06
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000316225	0	44	-2.0	-127.80	388.11	8.55	-119.25
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000316226	0	47	-2.0	-125.94	413.51	9.00	-116.94
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000316227	0	36	-2.0	-118.48	328.95	5.72	-112.76
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CS2)C(C(=O)[O-])=C1	REAL300000316228	0	40	-2.0	-126.67	375.59	7.10	-119.57
CCCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2CC)C(C(=O)[O-])=C1	REAL300000316229	1	45	-2.0	-116.25	381.52	9.62	-106.63
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C(C(=O)[O-])=C1	REAL300000316230	1	42	-2.0	-130.64	363.70	7.86	-122.78
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C(C(=O)[O-])=C1	REAL300000316231	0	36	-2.0	-119.34	352.69	6.57	-112.77
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C=N2)C(C(=O)[O-])=C1	REAL300000316232	0	37	-2.0	-136.99	331.56	6.53	-130.46
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)C(C(=O)[O-])=C1	REAL300000316234	1	45	-2.0	-122.95	393.87	7.16	-115.79
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)C(C(=O)[O-])=C1	REAL300000316235	0	41	-2.0	-117.51	367.29	4.41	-113.10
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C(C(=O)[O-])=C1	REAL300000316236	0	37	-2.0	-115.41	343.49	5.96	-109.45
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000316238	0	37	-2.0	-132.66	339.31	7.56	-125.10
CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(OC)C=C2F)C(C(=O)[O-])=C1	REAL300000316239	0	41	-2.0	-131.78	365.53	7.02	-124.76
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316240	0	39	-2.0	-133.53	362.78	9.31	-124.22
CCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000316241	0	43	-2.0	-93.67	372.67	8.72	-84.95
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000316241	1	42	-3.0	-192.03	376.71	8.81	-183.22
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C(C(=O)[O-])=C1	REAL300000316242	0	43	-2.0	-135.58	370.67	7.08	-128.50
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C)=N2)C(C(=O)[O-])=C1	REAL300000316243	0	40	-2.0	-142.77	351.23	6.32	-136.45
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000316244	0	41	-2.0	-130.98	365.56	7.48	-123.50
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)OCC)=C2)C(C(=O)[O-])=C1	REAL300000316245	1	46	-2.0	-131.96	404.20	9.01	-122.95
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)N=C2)C(C(=O)[O-])=C1	REAL300000316246	0	40	-2.0	-125.15	353.62	6.00	-119.15
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(COC)=C2)C(C(=O)[O-])=C1	REAL300000316247	1	44	-2.0	-130.98	382.61	7.15	-123.83
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C(C(=O)[O-])=C1	REAL300000316248	0	37	-2.0	-128.35	359.60	7.53	-120.82
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C(C(=O)[O-])=C1	REAL300000316249	1	42	-2.0	-128.21	363.51	6.73	-121.48
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000316250	0	37	-2.0	-122.63	347.08	8.06	-114.57
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000316253	1	41	-2.0	-120.57	371.83	4.28	-116.29
CCCC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C)C(C(=O)[O-])=C1	REAL300000316254	0	37	-2.0	-122.54	327.93	4.48	-118.06
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC)=C2)C(C(=O)[O-])=C1	REAL300000316255	1	41	-2.0	-131.68	357.04	6.73	-124.95
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C)C(C(=O)[O-])=C1	REAL300000316256	1	40	-2.0	-128.49	343.02	8.21	-120.28
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)N=C(NC(C)=O)S2)C(C(=O)[O-])=C1	REAL300000316257	0	43	-2.0	-132.21	388.87	5.67	-126.54
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)N=C([N-]C(C)=O)S2)C(C(=O)[O-])=C1	REAL300000316257	1	42	-3.0	-201.64	384.89	4.56	-197.08
CCCC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2)C(C(=O)[O-])=C1	REAL300000316258	0	37	-2.0	-137.33	332.55	4.96	-132.37
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C)C(C(=O)[O-])=C1	REAL300000316259	0	37	-2.0	-120.19	327.78	5.06	-115.13
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000316265	0	40	-2.0	-134.54	354.45	8.17	-126.37
CCCC1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C(C(=O)[O-])=C1	REAL300000316267	0	34	-2.0	-134.33	308.84	4.83	-129.50
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)O2)C(C(=O)[O-])=C1	REAL300000316268	0	40	-2.0	-122.34	367.08	6.23	-116.11
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000316269	0	42	-2.0	-147.15	367.47	8.06	-139.09
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000316270	0	37	-2.0	-118.36	345.75	7.62	-110.74
CCCC1=CC=C(NS(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316271	0	40	-2.0	-101.00	362.33	7.43	-93.57
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316271	1	39	-3.0	-197.29	365.70	7.88	-189.41
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)OC)=C2C)C(C(=O)[O-])=C1	REAL300000316272	1	46	-2.0	-131.88	391.87	8.76	-123.12
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000316273	0	41	-2.0	-129.23	370.15	7.30	-121.93
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)C(C(=O)[O-])=C1	REAL300000316274	0	39	-2.0	-119.44	358.19	6.65	-112.79
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)OC)C=C2)C(C(=O)[O-])=C1	REAL300000316276	1	46	-2.0	-133.45	404.50	8.88	-124.57
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)C(C(=O)[O-])=C1	REAL300000316278	0	49	-2.0	-128.77	406.66	8.04	-120.73
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CS2)C(C(=O)[O-])=C1	REAL300000316279	0	37	-2.0	-128.26	335.76	7.25	-121.01
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(CC)N=C2C)C(C(=O)[O-])=C1	REAL300000316280	0	46	-2.0	-127.71	386.05	7.33	-120.38
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C(C)=C2)C(C(=O)[O-])=C1	REAL300000316281	1	46	-2.0	-123.87	398.34	8.63	-115.24
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000316282	0	42	-2.0	-116.35	371.77	8.61	-107.74
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000316285	1	45	-2.0	-141.27	387.13	5.89	-135.38
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)C(C(=O)[O-])=C1	REAL300000316286	1	41	-2.0	-121.85	363.82	8.60	-113.25
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(NC(C)=O)=C2)C(C(=O)[O-])=C1	REAL300000316287	1	44	-2.0	-138.83	388.43	6.44	-132.39
CCCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000316288	0	42	-2.0	-124.65	379.92	8.80	-115.85
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(NC(C)=O)=C2)C(C(=O)[O-])=C1	REAL300000316289	1	47	-2.0	-151.31	402.13	7.24	-144.07
CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2OC)C(C(=O)[O-])=C1	REAL300000316290	0	41	-2.0	-130.31	365.19	7.90	-122.41
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)C(C(=O)[O-])=C1	REAL300000316291	1	41	-2.0	-118.58	363.78	8.59	-109.99
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000316293	0	38	-2.0	-123.44	353.84	7.89	-115.55
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)C(C(=O)[O-])=C1	REAL300000316294	1	42	-2.0	-127.02	371.19	5.09	-121.93
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000316295	0	43	-2.0	-125.97	372.30	6.52	-119.45
CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C(C(=O)[O-])=C1	REAL300000316296	1	42	-2.0	-130.45	368.50	7.82	-122.63
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC(=O)OC)N=C2)C(C(=O)[O-])=C1	REAL300000316297	0	43	-2.0	-129.13	386.92	6.20	-122.93
CCCC1=CC=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C(C(=O)[O-])=C1	REAL300000316298	0	43	-2.0	-140.25	371.51	5.87	-134.38
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316299	0	40	-2.0	-129.48	369.37	9.24	-120.24
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000316303	1	37	-2.0	-111.49	346.53	7.62	-103.87
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000316304	1	48	-2.0	-125.86	410.16	9.27	-116.59
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000316306	0	44	-2.0	-131.40	388.71	7.54	-123.86
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000316308	0	39	-3.0	-187.45	369.05	8.55	-178.90
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000316308	1	40	-2.0	-94.92	366.24	8.11	-86.81
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000316309	0	40	-2.0	-101.47	358.49	7.97	-93.50
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000316309	1	39	-3.0	-188.89	360.53	8.03	-180.86
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(N(C)C(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000316310	1	47	-2.0	-138.56	394.91	7.65	-130.91
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(=O)[O-])=C1	REAL300000316312	0	36	-3.0	-192.50	348.27	7.12	-185.38
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000316313	0	46	-2.0	-136.91	392.09	8.69	-128.22
CCCC1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316314	0	40	-2.0	-96.16	360.73	8.00	-88.16
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316314	1	39	-3.0	-196.20	362.42	8.06	-188.14
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000316315	0	42	-3.0	-202.96	381.75	8.70	-194.26
CCCC1=CC=C([N-]S(=O)(=O)C2=CNC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000316316	0	41	-2.0	-128.02	370.94	5.77	-122.25
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000316317	0	39	-3.0	-191.53	361.47	8.06	-183.47
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000316317	1	40	-2.0	-107.62	359.04	7.61	-100.01
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316318	0	40	-2.0	-99.29	366.47	8.32	-90.97
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316318	1	39	-3.0	-187.60	368.50	8.39	-179.21
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000316319	1	40	-2.0	-125.05	347.92	8.25	-116.80
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000316320	1	46	-2.0	-126.07	398.38	8.62	-117.45
CCCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000316321	0	40	-2.0	-126.93	374.81	7.11	-119.82
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000316322	1	43	-2.0	-119.72	386.87	8.11	-111.61
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)N=C(C)S2)C(C(=O)[O-])=C1	REAL300000316323	0	39	-2.0	-125.03	351.81	6.03	-119.00
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C(C(=O)[O-])=C1	REAL300000316324	1	41	-2.0	-132.20	369.82	8.60	-123.60
CCCC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C(NC(C)=O)=C2)C(C(=O)[O-])=C1	REAL300000316325	1	45	-2.0	-106.19	387.53	4.30	-101.89
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC)=C2)C(C(=O)[O-])=C1	REAL300000316328	1	43	-2.0	-130.99	370.43	8.86	-122.13
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000316329	1	40	-2.0	-125.79	355.37	8.16	-117.63
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(C)O2)C(C(=O)[O-])=C1	REAL300000316331	0	43	-2.0	-124.08	385.44	6.89	-117.19
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C(C(=O)[O-])=C1	REAL300000316332	1	43	-2.0	-123.40	378.91	6.50	-116.90
CCCC1=CC=C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316333	0	40	-2.0	-109.87	365.12	8.02	-101.85
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316333	1	39	-3.0	-192.52	366.82	8.08	-184.44
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000316335	0	40	-2.0	-125.37	359.75	8.19	-117.18
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000316336	1	43	-2.0	-139.09	368.59	9.74	-129.35
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C(C(=O)[O-])=C1	REAL300000316337	0	39	-2.0	-127.01	359.53	6.91	-120.10
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(=O)[O-])=C1	REAL300000316338	0	40	-3.0	-197.64	365.72	5.69	-191.95
CCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000316338	1	40	-3.0	-201.51	359.53	6.53	-194.98
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C(C(=O)[O-])=C1	REAL300000316339	1	47	-2.0	-133.78	382.86	10.06	-123.72
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000316340	0	43	-2.0	-101.14	376.33	8.71	-92.43
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000316340	1	42	-3.0	-191.84	378.18	8.78	-183.06
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OCC)O2)C(C(=O)[O-])=C1	REAL300000316341	0	43	-2.0	-122.72	388.94	7.16	-115.56
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316342	0	39	-2.0	-116.22	362.17	8.16	-108.06
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)=O)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000316343	0	42	-2.0	-135.69	381.09	8.39	-127.30
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C(C(=O)[O-])=C1	REAL300000316344	0	40	-2.0	-138.09	370.25	8.14	-129.95
CCCC1=CC=C([N-]S(=O)(=O)C2=C(OC)C=CS2)C(C(=O)[O-])=C1	REAL300000316346	0	38	-2.0	-134.69	349.71	5.71	-128.98
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)C(C(=O)[O-])=C1	REAL300000316347	0	43	-2.0	-131.34	384.32	8.54	-122.80
CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(C(=O)[O-])=C1	REAL300000316348	0	40	-2.0	-132.89	357.31	7.82	-125.07
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)C(C(=O)[O-])=C1	REAL300000316349	0	45	-2.0	-149.21	389.05	8.67	-140.54
CCCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000316350	0	42	-2.0	-125.33	381.56	8.81	-116.52
CCCC1=CC=C([N-]S(=O)(=O)C2=CSN=C2C(=O)OC)C(C(=O)[O-])=C1	REAL300000316351	0	39	-2.0	-133.35	360.78	6.17	-127.18
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C(C(=O)[O-])=C1	REAL300000316353	0	37	-2.0	-117.46	342.51	6.38	-111.08
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C(C(=O)[O-])=C1	REAL300000316354	0	37	-2.0	-136.63	347.88	6.26	-130.37
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC(OC)=C2)C(C(=O)[O-])=C1	REAL300000316355	1	45	-2.0	-133.11	386.53	6.04	-127.07
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C(C(=O)[O-])=C1	REAL300000316356	0	38	-2.0	-134.87	343.38	6.17	-128.70
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C(C(=O)[O-])=C1	REAL300000316357	0	38	-2.0	-117.22	349.76	5.27	-111.95
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C)S2)C(C(=O)[O-])=C1	REAL300000316358	0	36	-2.0	-124.40	336.07	5.26	-119.14
CCCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)C(C(=O)[O-])=C1	REAL300000316359	1	42	-2.0	-113.76	375.33	8.92	-104.84
CCCC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000316360	0	43	-2.0	-119.74	363.06	8.59	-111.15
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000316360	1	42	-3.0	-207.89	366.04	8.64	-199.25
CCCC1=CC=C(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316362	0	43	-2.0	-101.50	378.92	8.58	-92.92
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000316363	0	43	-2.0	-101.39	368.64	8.72	-92.67
CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000316364	0	38	-2.0	-123.93	356.83	8.11	-115.82
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000316365	0	40	-2.0	-127.83	359.75	8.20	-119.63
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(OC)=C2)C(C(=O)[O-])=C1	REAL300000316366	0	43	-2.0	-116.09	383.07	8.18	-107.91
CCCC1=CC=C(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316367	0	46	-2.0	-102.20	386.90	8.98	-93.22
CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C(C(=O)[O-])=C1	REAL300000316368	0	40	-2.0	-125.96	372.88	8.92	-117.04
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000316371	0	39	-3.0	-192.28	367.74	8.12	-184.16
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316372	1	42	-2.0	-117.03	380.58	8.76	-108.27
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C(C(=O)[O-])=C1	REAL300000316373	0	36	-2.0	-124.21	346.50	6.88	-117.33
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000316374	0	43	-2.0	-136.80	372.98	7.82	-128.98
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)N=C2)C(C(=O)[O-])=C1	REAL300000316375	0	42	-2.0	-118.82	378.28	6.26	-112.56
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C(C(=O)[O-])=C1	REAL300000316376	0	36	-2.0	-114.98	352.99	6.60	-108.38
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000316377	0	46	-2.0	-125.32	386.74	9.32	-116.00
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000316378	0	42	-3.0	-203.59	381.32	8.69	-194.90
CCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000316378	1	43	-2.0	-113.60	378.78	8.24	-105.36
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000316379	0	42	-3.0	-218.98	381.03	8.68	-210.30
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)CC)=C2)C(C(=O)[O-])=C1	REAL300000316380	1	45	-2.0	-139.71	390.63	8.70	-131.01
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CCOC)N=C2)C(C(=O)[O-])=C1	REAL300000316381	0	44	-2.0	-123.21	387.29	5.05	-118.16
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)N=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316382	0	42	-2.0	-135.15	377.86	8.27	-126.88
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316383	0	46	-2.0	-101.24	388.44	9.12	-92.12
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C(C(=O)[O-])=C1	REAL300000316384	0	48	-2.0	-125.51	404.70	5.97	-119.54
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)C(C(=O)[O-])=C1	REAL300000316387	0	41	-2.0	-138.31	364.83	8.22	-130.09
CCCC1=CC=C(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)C(C(=O)[O-])=C1	REAL300000316388	0	43	-2.0	-94.17	372.76	7.84	-86.33
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000316389	0	46	-2.0	-129.43	400.54	9.08	-120.35
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CCC)C=N2)C(C(=O)[O-])=C1	REAL300000316390	0	43	-2.0	-136.16	374.86	8.19	-127.97
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C(C(=O)[O-])=C1	REAL300000316391	0	45	-2.0	-123.58	385.58	5.18	-118.40
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000316393	0	40	-2.0	-136.14	353.35	8.15	-127.99
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC)N=C2)C(C(=O)[O-])=C1	REAL300000316394	1	43	-2.0	-121.41	376.57	5.06	-116.35
CCCC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C(C(=O)[O-])=C1	REAL300000316395	0	44	-2.0	-144.40	373.49	7.47	-136.93
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(COC)C=C2)C(C(=O)[O-])=C1	REAL300000316396	1	44	-2.0	-128.53	382.61	7.16	-121.37
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2O)C(C(=O)[O-])=C1	REAL300000316397	0	42	-2.0	-128.26	366.81	4.42	-123.84
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000316398	0	40	-2.0	-130.47	359.40	8.57	-121.90
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C)=C2)C(C(=O)[O-])=C1	REAL300000316400	0	40	-2.0	-125.56	350.52	7.01	-118.55
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C(C(=O)[O-])=C1	REAL300000316401	0	43	-2.0	-134.82	373.79	5.10	-129.72
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2COC)C(C(=O)[O-])=C1	REAL300000316403	1	44	-2.0	-128.29	374.16	7.47	-120.82
CCCC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000316404	0	46	-2.0	-117.23	400.74	7.74	-109.49
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)O2)C(C(=O)[O-])=C1	REAL300000316406	0	37	-2.0	-128.83	332.14	6.25	-122.58
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)S2)C(C(=O)[O-])=C1	REAL300000316407	0	40	-2.0	-129.87	361.18	7.85	-122.02
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C(C(=O)[O-])=C1	REAL300000316408	1	40	-2.0	-125.58	353.59	6.09	-119.49
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000316409	0	45	-2.0	-147.25	381.17	9.19	-138.06
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C(C(=O)[O-])=C1	REAL300000316410	0	43	-2.0	-132.72	376.81	9.45	-123.27
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000316411	0	39	-2.0	-112.87	360.29	8.13	-104.74
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316412	1	37	-2.0	-118.92	350.69	8.02	-110.90
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000316413	0	43	-2.0	-119.77	385.40	6.99	-112.78
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316414	0	36	-2.0	-118.79	339.29	6.14	-112.65
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C)=N2)C(C(=O)[O-])=C1	REAL300000316415	0	43	-2.0	-139.60	373.14	7.23	-132.37
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000316416	0	40	-2.0	-129.72	362.09	8.66	-121.06
CCCC1=CC=C(NS(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316417	0	44	-2.0	-118.34	383.89	8.20	-110.14
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316417	1	43	-3.0	-206.16	384.03	8.21	-197.95
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CO2)C(C(=O)[O-])=C1	REAL300000316418	0	40	-2.0	-126.64	367.42	6.18	-120.46
CCCC1=CC=C([N-]S(=O)(=O)C2=C(CC)N(C)N=C2CC)C(C(=O)[O-])=C1	REAL300000316419	0	49	-2.0	-128.91	407.02	7.99	-120.92
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)OCC)=C2)C(C(=O)[O-])=C1	REAL300000316420	0	47	-2.0	-131.08	410.58	8.46	-122.62
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000316421	1	45	-2.0	-124.80	387.23	9.38	-115.42
CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000316422	0	37	-2.0	-132.80	343.60	8.23	-124.57
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)C(C(=O)[O-])=C1	REAL300000316423	0	39	-2.0	-127.50	357.44	6.75	-120.75
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2OC)C(C(=O)[O-])=C1	REAL300000316424	0	42	-2.0	-125.50	376.59	7.62	-117.88
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(SC)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316425	1	41	-2.0	-124.83	382.76	8.91	-115.92
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(CC)S2)C(C(=O)[O-])=C1	REAL300000316426	0	39	-2.0	-124.15	357.55	6.01	-118.14
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(CC)C3=C2)C(C(=O)[O-])=C1	REAL300000316427	0	44	-2.0	-116.90	388.78	5.15	-111.75
CCCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)S2)C(C(=O)[O-])=C1	REAL300000316428	0	39	-2.0	-122.11	365.67	7.76	-114.35
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000316430	0	40	-2.0	-117.22	368.39	5.39	-111.83
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000316431	0	39	-2.0	-116.34	363.04	6.76	-109.58
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000316432	1	43	-2.0	-124.83	388.74	8.16	-116.67
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)C(C(=O)[O-])=C1	REAL300000316433	0	52	-2.0	-127.68	426.80	8.91	-118.77
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C(C(=O)[O-])=C1	REAL300000316435	0	38	-2.0	-118.69	361.43	8.39	-110.30
CCCC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C(C(=O)[O-])=C1	REAL300000316436	0	40	-2.0	-139.54	355.48	7.74	-131.80
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000316437	0	42	-2.0	-124.32	377.50	6.29	-118.03
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C(C(=O)[O-])=C1	REAL300000316438	0	34	-2.0	-122.11	331.92	6.17	-115.94
CCCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300000316439	1	45	-2.0	-123.28	389.94	9.51	-113.77
CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000316440	0	37	-2.0	-124.58	348.61	7.83	-116.75
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000316444	0	37	-2.0	-121.27	356.53	7.65	-113.62
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000316445	1	40	-2.0	-129.61	359.73	8.30	-121.31
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000316446	0	40	-2.0	-123.57	365.47	6.33	-117.24
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2SC)C(C(=O)[O-])=C1	REAL300000316447	1	41	-2.0	-134.57	363.62	8.50	-126.07
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000316448	0	45	-2.0	-123.48	396.98	8.72	-114.76
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)OC)SC=C2C)C(C(=O)[O-])=C1	REAL300000316449	0	43	-2.0	-139.07	382.76	8.61	-130.46
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000316450	1	41	-2.0	-120.72	363.26	6.81	-113.91
CCCC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C(C(=O)[O-])=C1	REAL300000316451	0	36	-2.0	-134.95	340.23	7.83	-127.12
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C(C(=O)[O-])=C1	REAL300000316452	0	34	-2.0	-127.05	310.22	5.43	-121.62
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C)C(C(=O)[O-])=C1	REAL300000316453	0	36	-2.0	-115.13	321.95	3.85	-111.28
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C(C(=O)[O-])=C1	REAL300000316454	1	42	-2.0	-122.72	371.89	6.56	-116.16
CCCC1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316455	0	36	-2.0	-117.23	348.71	7.20	-110.03
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(=O)OC)C=C2)C(C(=O)[O-])=C1	REAL300000316457	1	45	-2.0	-128.96	394.74	5.65	-123.31
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C(C(=O)[O-])=C1	REAL300000316458	0	41	-2.0	-131.52	355.52	6.87	-124.65
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000316459	0	38	-2.0	-121.36	361.45	8.39	-112.97
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000316460	0	40	-2.0	-122.96	371.49	6.50	-116.46
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC)C(C(=O)[O-])=C1	REAL300000316461	1	43	-2.0	-122.85	353.23	8.96	-113.89
CCCC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C(C(=O)[O-])=C1	REAL300000316463	0	41	-2.0	-144.35	365.93	7.50	-136.85
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(CC3CC3)N=C2C)C(C(=O)[O-])=C1	REAL300000316464	0	50	-2.0	-127.72	417.73	8.89	-118.83
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)C(C(=O)[O-])=C1	REAL300000316465	0	45	-2.0	-147.54	385.43	8.61	-138.93
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000316467	1	41	-2.0	-131.69	378.80	4.72	-126.97
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000316468	0	38	-2.0	-136.12	352.31	5.74	-130.38
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(OC)=C2)C(C(=O)[O-])=C1	REAL300000316469	0	40	-2.0	-125.44	352.11	4.91	-120.53
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2OC)C(C(=O)[O-])=C1	REAL300000316473	0	43	-2.0	-122.32	374.05	8.54	-113.78
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000316474	1	47	-2.0	-127.04	397.41	7.25	-119.79
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(NC(C)=O)S2)C(C(=O)[O-])=C1	REAL300000316476	0	40	-2.0	-131.81	372.51	4.92	-126.89
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)C(C(=O)[O-])=C1	REAL300000316476	1	39	-3.0	-200.86	369.20	3.79	-197.07
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C(F)=C2)C(C(=O)[O-])=C1	REAL300000316477	1	44	-2.0	-127.73	388.70	6.46	-121.27
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C(C(=O)[O-])=C1	REAL300000316478	0	42	-2.0	-126.15	384.34	3.04	-123.11
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C(C(=O)[O-])=C1	REAL300000316479	1	41	-2.0	-132.49	352.13	8.76	-123.73
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C(C(=O)[O-])=C1	REAL300000316480	1	41	-2.0	-131.77	369.80	8.59	-123.18
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C(C(=O)[O-])=C1	REAL300000316481	0	37	-2.0	-120.93	357.40	8.51	-112.42
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)ON=C2N)C(C(=O)[O-])=C1	REAL300000316483	0	38	-2.0	-118.03	335.08	4.80	-113.23
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000316484	0	41	-2.0	-130.76	372.53	7.75	-123.01
CCCC1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000316485	0	38	-2.0	-122.46	355.04	6.20	-116.26
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2C)C(C(=O)[O-])=C1	REAL300000316488	1	44	-2.0	-129.95	372.50	7.51	-122.44
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C(C(=O)[O-])=C1	REAL300000316491	0	35	-2.0	-117.02	340.05	6.98	-110.04
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2)C(C(=O)[O-])=C1	REAL300000316492	0	39	-2.0	-126.00	344.14	6.26	-119.74
CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C(C(=O)[O-])=C1	REAL300000316493	0	42	-2.0	-129.92	368.73	7.80	-122.12
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C=C2F)C(C(=O)[O-])=C1	REAL300000316494	0	43	-2.0	-127.99	387.79	8.16	-119.83
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C(F)=C2)C(C(=O)[O-])=C1	REAL300000316495	0	43	-2.0	-121.47	386.85	8.12	-113.35
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)C(C(=O)[O-])=C1	REAL300000316496	1	41	-2.0	-119.45	367.52	8.32	-111.13
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000316497	0	36	-2.0	-112.51	345.28	6.11	-106.40
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C=C2F)C(C(=O)[O-])=C1	REAL300000316499	0	41	-2.0	-131.63	362.52	6.79	-124.84
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000316501	1	40	-2.0	-126.66	361.72	8.37	-118.29
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C(C(=O)[O-])=C1	REAL300000316502	1	47	-2.0	-135.53	401.75	10.85	-124.68
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=NN2C)C(C(=O)[O-])=C1	REAL300000316504	0	40	-2.0	-121.40	344.40	5.89	-115.51
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C(C(=O)[O-])=C1	REAL300000316506	0	35	-2.0	-118.70	331.47	5.97	-112.73
CCCC1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C(C(=O)[O-])=C1	REAL300000316507	0	34	-2.0	-124.42	318.64	6.34	-118.08
CCCC1=CC=C([N-]S(=O)(=O)C2=COC=C2)C(C(=O)[O-])=C1	REAL300000316508	0	34	-2.0	-124.75	310.07	5.32	-119.43
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(COC)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000316509	0	48	-2.0	-138.99	410.87	6.95	-132.04
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000316510	0	43	-2.0	-103.24	371.15	8.54	-94.70
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)N=C2)C(C(=O)[O-])=C1	REAL300000316511	1	40	-2.0	-121.29	354.71	4.12	-117.17
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C(C(=O)[O-])=C1	REAL300000316512	0	37	-2.0	-127.87	349.76	8.02	-119.85
CCCC1=CC=C([N-]S(=O)(=O)C(CCC)C(=O)OCC)C(C(=O)[O-])=C1	REAL300000316514	1	48	-2.0	-124.28	405.66	8.56	-115.72
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(CCC)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000316515	0	46	-2.0	-129.57	405.07	10.21	-119.36
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000316516	0	46	-2.0	-129.75	400.90	9.92	-119.83
CCCC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000316517	0	40	-2.0	-131.70	364.04	8.80	-122.90
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C(C(=O)[O-])=C1	REAL300000316518	0	48	-2.0	-143.65	405.27	8.65	-135.00
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000316519	0	40	-2.0	-133.47	354.14	6.06	-127.41
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OCC)=C2)C(C(=O)[O-])=C1	REAL300000316520	1	44	-2.0	-131.90	378.90	7.66	-124.24
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000316521	0	37	-2.0	-128.56	349.87	8.29	-120.27
CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)C(C(=O)[O-])=C1	REAL300000316523	1	46	-2.0	-133.39	394.84	10.38	-123.01
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C(C(=O)[O-])=C1	REAL300000316524	0	34	-2.0	-123.74	335.52	6.88	-116.86
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CS2)C(C(=O)[O-])=C1	REAL300000316525	0	37	-2.0	-127.22	341.11	7.09	-120.13
CCCC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C(C(=O)[O-])=C1	REAL300000316526	0	34	-2.0	-122.50	325.83	4.24	-118.26
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C(C(=O)[O-])=C1	REAL300000316527	0	36	-2.0	-123.23	334.46	5.55	-117.68
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)C(C(=O)[O-])=C1	REAL300000316528	0	46	-2.0	-123.41	392.08	6.50	-116.91
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000316529	1	46	-2.0	-122.16	396.71	5.99	-116.17
CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(C(=O)[O-])=C1	REAL300000316531	0	40	-2.0	-125.73	363.72	7.89	-117.84
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NS2)C(C(=O)[O-])=C1	REAL300000316532	0	36	-2.0	-120.38	336.04	5.73	-114.65
CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C(C(=O)[O-])=C1	REAL300000316536	0	34	-2.0	-125.54	325.82	6.47	-119.07
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000316537	0	40	-2.0	-127.84	366.18	6.28	-121.56
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C(C(=O)[O-])=C1	REAL300000316538	1	46	-2.0	-129.46	392.37	9.03	-120.43
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C(C(=O)[O-])=C1	REAL300000316539	1	38	-2.0	-115.74	354.26	7.87	-107.87
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C([N+](=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000316542	0	42	-2.0	-120.14	377.25	8.68	-111.46
CCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C(=O)[O-])=C1	REAL300000316543	0	43	-2.0	-97.56	372.23	8.71	-88.85
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C(C(=O)[O-])=C1	REAL300000316544	0	38	-2.0	-127.02	360.43	6.72	-120.30
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C(C(=O)[O-])=C1	REAL300000316547	0	37	-2.0	-118.29	360.12	7.62	-110.67
CCCC1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C(C(=O)[O-])=C1	REAL300000316548	0	34	-2.0	-132.93	309.16	4.02	-128.91
CCCC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000316549	0	42	-2.0	-133.58	364.53	4.34	-129.24
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)S2)C(C(=O)[O-])=C1	REAL300000316550	0	40	-2.0	-129.93	357.65	8.06	-121.87
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000316551	0	45	-2.0	-120.18	393.77	6.77	-113.41
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316552	0	38	-2.0	-115.80	350.92	6.30	-109.50
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)C(C(=O)[O-])=C1	REAL300000316553	0	39	-2.0	-117.91	355.10	6.82	-111.09
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000316554	1	46	-2.0	-134.36	404.49	8.87	-125.49
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C(C(=O)[O-])=C1	REAL300000316555	1	39	-2.0	-116.94	367.29	7.30	-109.64
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000316559	0	40	-2.0	-124.05	348.20	5.67	-118.38
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCC)C=C2C(=O)[O-])C=C1	REAL300000316560	1	41	-2.0	-129.91	358.63	8.52	-121.39
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C)C(C(=O)[O-])=C1	REAL300000316561	0	40	-2.0	-126.32	350.92	5.80	-120.52
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(COC)=C2)C(C(=O)[O-])=C1	REAL300000316562	1	44	-2.0	-128.02	399.36	7.67	-120.35
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000316563	0	37	-2.0	-116.76	343.38	6.04	-110.72
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C(C(=O)[O-])=C1	REAL300000316565	1	42	-2.0	-125.06	373.97	4.63	-120.43
CCCC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000316567	0	37	-2.0	-123.90	343.19	4.96	-118.94
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000316568	0	43	-2.0	-124.26	373.83	7.35	-116.91
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000316571	1	41	-2.0	-121.70	373.06	7.29	-114.41
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C(C(=O)[O-])=C1	REAL300000316572	0	41	-2.0	-136.32	379.12	4.07	-132.25
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000316573	0	39	-3.0	-217.59	359.64	8.02	-209.57
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C(C(=O)[O-])=C1	REAL300000316574	0	34	-2.0	-131.43	326.90	5.43	-126.00
CCCC1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C(C(=O)[O-])=C1	REAL300000316575	0	39	-2.0	-140.70	358.73	6.86	-133.84
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C(C(=O)[O-])=C1	REAL300000316576	1	42	-2.0	-132.14	363.34	7.28	-124.86
CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000316578	0	43	-2.0	-140.00	378.04	9.74	-130.26
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C(C(=O)[O-])=C1	REAL300000316579	0	40	-2.0	-133.62	367.68	6.50	-127.12
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000316580	0	40	-2.0	-129.39	354.68	8.93	-120.46
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C(C(=O)[O-])=C1	REAL300000316581	0	42	-2.0	-140.73	363.85	7.25	-133.48
CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000316587	0	40	-2.0	-136.15	357.45	8.39	-127.76
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C(C(=O)[O-])=C1	REAL300000316588	0	36	-2.0	-118.93	352.58	6.63	-112.30
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C(C(=O)[O-])=C1	REAL300000316589	1	42	-2.0	-127.40	371.39	5.89	-121.51
CCCC1=CC=C(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316591	0	43	-2.0	-110.93	379.37	8.60	-102.33
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316591	1	42	-3.0	-198.07	377.17	8.56	-189.51
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000316593	0	41	-2.0	-130.72	362.21	7.28	-123.44
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C(C(=O)[O-])=C1	REAL300000316594	1	40	-2.0	-116.98	367.12	6.53	-110.45
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316595	1	45	-2.0	-126.61	390.00	9.27	-117.34
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(OC)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316597	0	40	-2.0	-117.77	370.79	4.67	-113.10
CCCC1=CC=C([N-]S(=O)(=O)C2=CON=C2C)C(C(=O)[O-])=C1	REAL300000316598	0	36	-2.0	-117.41	324.50	5.39	-112.02
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C(C(=O)[O-])=C1	REAL300000316599	1	40	-2.0	-123.13	363.00	8.54	-114.59
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000316600	1	43	-2.0	-138.92	375.63	8.42	-130.50
CCCC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC(C)=C2)C(C(=O)[O-])=C1	REAL300000316601	0	39	-2.0	-135.61	362.12	8.63	-126.98
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C(C(=O)[O-])=C1	REAL300000316603	1	40	-2.0	-121.33	369.54	5.63	-115.70
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C(C(=O)[O-])=C1	REAL300000316604	0	36	-2.0	-132.19	328.04	5.62	-126.57
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C(C(=O)[O-])=C1	REAL300000316607	0	36	-2.0	-116.87	328.94	5.59	-111.28
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C(C(=O)[O-])=C1	REAL300000316609	0	35	-2.0	-131.12	337.91	6.83	-124.29
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000316612	1	37	-2.0	-118.35	350.13	8.00	-110.35
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C(C(=O)[O-])=C1	REAL300000316613	0	46	-2.0	-139.15	389.23	7.78	-131.37
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C(C(=O)[O-])=C1	REAL300000316614	0	45	-2.0	-139.47	379.73	8.64	-130.83
CCCC1=CC=C([N-]S(=O)(=O)C2=COC(C(=O)N(C)C)=C2C)C(C(=O)[O-])=C1	REAL300000316615	0	47	-2.0	-128.61	400.32	6.42	-122.19
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000316621	1	44	-2.0	-140.13	383.47	4.87	-135.26
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C)N2C)C(C(=O)[O-])=C1	REAL300000316626	0	40	-2.0	-126.02	346.69	6.48	-119.54
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(C)CC)=C2)C(C(=O)[O-])=C1	REAL300000316627	1	50	-2.0	-130.15	417.58	9.10	-121.05
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316630	0	42	-2.0	-132.90	372.79	9.53	-123.37
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CC3)C(CC)=N2)C(C(=O)[O-])=C1	REAL300000316631	0	50	-2.0	-144.05	426.41	9.39	-134.66
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)OC)O2)C(C(=O)[O-])=C1	REAL300000316632	0	43	-2.0	-123.65	384.98	6.81	-116.84
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000316633	0	40	-2.0	-125.56	367.29	6.94	-118.62
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000316634	1	45	-2.0	-125.14	391.21	9.77	-115.37
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C(C(=O)[O-])=C1	REAL300000316635	0	40	-2.0	-113.69	368.14	6.10	-107.59
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C(C(=O)[O-])=C1	REAL300000316636	0	36	-2.0	-124.21	344.92	6.04	-118.17
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C(C(=O)[O-])=C1	REAL300000316637	1	47	-2.0	-143.23	393.64	10.84	-132.39
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000316639	0	40	-2.0	-133.22	359.62	8.21	-125.01
CCCC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316641	0	39	-2.0	-140.69	354.64	6.41	-134.28
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(CCC)C=C2C(=O)[O-])C(C)=N1	REAL300000316642	0	49	-2.0	-125.94	415.46	8.20	-117.74
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(=O)[O-])=C1	REAL300000316643	0	38	-3.0	-205.19	352.22	6.12	-199.07
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)C(C(=O)[O-])=C1	REAL300000316644	0	41	-2.0	-122.70	356.40	7.40	-115.30
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C(C(=O)[O-])=C1	REAL300000316645	1	49	-2.0	-126.19	405.76	9.69	-116.50
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000316646	1	38	-2.0	-117.23	354.81	7.89	-109.34
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000316647	0	40	-2.0	-121.26	360.69	6.07	-115.19
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C(C(=O)[O-])=C1	REAL300000316648	0	39	-2.0	-140.67	350.71	6.62	-134.05
CCCC1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C(C(=O)[O-])=C1	REAL300000316648	1	39	-2.0	-127.08	350.81	6.48	-120.60
CCCC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000316649	0	41	-2.0	-138.24	361.28	7.40	-130.84
CCCC1=CC=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000316650	0	47	-2.0	-127.01	388.54	7.55	-119.46
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000316651	0	49	-2.0	-123.46	392.90	7.96	-115.50
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000316653	0	47	-2.0	-126.96	394.95	7.79	-119.17
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C(C(=O)[O-])=C1	REAL300000316654	0	40	-2.0	-118.57	361.83	6.32	-112.25
CCCC1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000316656	0	38	-2.0	-107.10	337.54	6.01	-101.09
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C(C(=O)[O-])=C1	REAL300000316656	1	38	-2.0	-121.59	343.72	5.19	-116.40
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2CC)C(C(=O)[O-])=C1	REAL300000316658	0	43	-2.0	-123.18	366.65	6.48	-116.70
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)C(C(=O)[O-])=C1	REAL300000316659	1	42	-2.0	-127.08	373.33	7.92	-119.16
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C(C(=O)[O-])=C1	REAL300000316660	0	37	-2.0	-119.89	332.75	4.78	-115.11
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2C#N)C(C(=O)[O-])=C1	REAL300000316661	0	41	-2.0	-135.78	367.06	8.39	-127.39
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000316662	0	41	-2.0	-134.38	359.30	8.67	-125.71
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000316663	1	40	-2.0	-121.97	364.22	8.33	-113.64
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C(C(=O)[O-])=C1	REAL300000316665	1	44	-2.0	-131.47	391.29	9.39	-122.08
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=NS2)C(C(=O)[O-])=C1	REAL300000316667	0	37	-2.0	-117.34	346.79	3.23	-114.11
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C(C(=O)[O-])=C1	REAL300000316669	0	33	-2.0	-119.58	314.28	5.14	-114.44
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C(=O)[O-])=C1	REAL300000316672	0	43	-3.0	-195.49	384.20	7.79	-187.70
CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C(=O)[O-])=C1	REAL300000316672	1	44	-2.0	-98.76	381.53	7.28	-91.48
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000316673	0	41	-2.0	-123.29	367.08	3.04	-120.25
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CCC)C(C(=O)[O-])=C1	REAL300000316674	1	46	-2.0	-122.44	374.82	9.72	-112.72
CCCC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000316675	0	37	-2.0	-131.47	341.92	7.55	-123.92
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316677	0	36	-3.0	-188.36	356.11	6.97	-181.39
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C(C(=O)[O-])=C1	REAL300000316678	1	42	-2.0	-139.54	363.79	7.94	-131.60
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CN2C)C(C(=O)[O-])=C1	REAL300000316679	0	44	-2.0	-129.44	388.96	7.62	-121.82
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C(C(=O)[O-])=C1	REAL300000316680	0	38	-2.0	-131.41	353.40	7.85	-123.56
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=N2)C(C(=O)[O-])=C1	REAL300000316681	0	36	-2.0	-129.70	326.33	3.75	-125.95
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000316682	0	44	-2.0	-126.63	377.44	7.11	-119.52
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C(C(=O)[O-])=C1	REAL300000316683	0	44	-2.0	-124.16	374.83	7.34	-116.82
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C(C(=O)[O-])=C1	REAL300000316684	0	47	-2.0	-124.45	396.95	8.03	-116.42
CCCC1=CC=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C(C(=O)[O-])=C1	REAL300000316685	0	48	-2.0	-134.12	402.59	5.43	-128.69
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C(C(=O)[O-])=C1	REAL300000316686	1	43	-2.0	-125.47	378.27	4.67	-120.80
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C(C(=O)[O-])=C1	REAL300000316687	0	34	-2.0	-125.34	328.21	6.16	-119.18
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(OC)C(F)=C2)C(C(=O)[O-])=C1	REAL300000316688	1	41	-2.0	-117.34	373.41	6.98	-110.36
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C(C(=O)[O-])=C1	REAL300000316689	0	44	-2.0	-129.81	370.45	7.50	-122.31
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(OC)C=C2F)C(C(=O)[O-])=C1	REAL300000316690	0	41	-2.0	-125.22	368.74	6.87	-118.35
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C(C(=O)[O-])=C1	REAL300000316691	0	47	-2.0	-133.30	401.99	8.83	-124.47
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC=C2C)C(C(=O)[O-])=C1	REAL300000316692	0	40	-2.0	-124.69	350.44	8.14	-116.55
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C(C(=O)[O-])=C1	REAL300000316693	0	45	-2.0	-141.73	384.97	8.02	-133.71
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000316694	0	45	-2.0	-126.06	396.21	7.10	-118.96
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C(C(=O)[O-])=C1	REAL300000316695	1	45	-2.0	-131.87	395.77	9.65	-122.22
CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC(F)=C2OC)C(C(=O)[O-])=C1	REAL300000316696	0	41	-2.0	-132.44	364.01	8.10	-124.34
CCCC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C(C(=O)[O-])=C1	REAL300000316697	0	34	-2.0	-124.25	332.97	6.87	-117.38
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000316698	0	39	-2.0	-117.46	361.44	6.60	-110.86
CCCC1=CC=C([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)C(C(=O)[O-])=C1	REAL300000316699	0	42	-2.0	-144.46	368.22	7.04	-137.42
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=NN2CC)C(C(=O)[O-])=C1	REAL300000316700	0	39	-2.0	-115.10	342.77	4.77	-110.33
CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C(C(=O)[O-])=C1	REAL300000316702	1	38	-2.0	-116.11	342.42	6.21	-109.90
CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C(C(=O)[O-])=C1	REAL300000316703	0	40	-2.0	-132.04	366.38	8.86	-123.18
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C(C(=O)[O-])=C1	REAL300000316704	0	40	-2.0	-143.37	372.45	7.13	-136.24
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C(C(=O)[O-])=C1	REAL300000316705	0	44	-2.0	-122.89	379.48	7.15	-115.74
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)C(C(=O)[O-])=C1	REAL300000316707	0	45	-2.0	-128.68	379.39	7.19	-121.49
CCCC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000316708	0	40	-2.0	-132.59	357.31	7.71	-124.88
CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC(OC)=C2OC)C(C(=O)[O-])=C1	REAL300000316709	0	45	-2.0	-138.67	387.03	7.76	-130.91
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C(C(=O)[O-])=C1	REAL300000316710	0	50	-2.0	-132.21	416.30	8.34	-123.87
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C(C(=O)[O-])=C1	REAL300000316711	0	44	-2.0	-128.88	382.84	7.36	-121.52
CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000316713	0	40	-2.0	-137.43	356.97	6.64	-130.79
CCCC1=CC=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C(C(=O)[O-])=C1	REAL300000316714	0	42	-2.0	-149.01	372.08	5.83	-143.18
CCCC1=CC=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000316715	0	44	-2.0	-128.94	368.21	9.40	-119.54
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)C(C(=O)[O-])=C1	REAL300000316716	1	41	-2.0	-128.29	355.55	5.14	-123.15
CCCC1=CC=C([N-]S(=O)(=O)C2=CSN=C2OC)C(C(=O)[O-])=C1	REAL300000316717	0	37	-2.0	-125.56	344.84	3.30	-122.26
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)NC=N2)C(C(=O)[O-])=C1	REAL300000316718	0	37	-2.0	-136.14	326.66	5.54	-130.60
CCCC1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C(C(=O)[O-])=C1	REAL300000316720	1	40	-2.0	-126.17	361.26	7.82	-118.35
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000316721	0	47	-2.0	-130.88	399.07	7.84	-123.04
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C(C(=O)[O-])=C1	REAL300000316722	0	34	-2.0	-123.69	333.35	6.97	-116.72
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000316723	0	47	-2.0	-127.19	401.53	8.08	-119.11
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C(C(=O)[O-])=C1	REAL300000316724	0	41	-2.0	-133.01	365.66	8.55	-124.46
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCC)C=C2C(=O)[O-])=C1	REAL300000316725	1	46	-2.0	-131.09	391.93	9.64	-121.45
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=NN2C)C(C(=O)[O-])=C1	REAL300000316726	0	43	-2.0	-119.30	382.82	5.83	-113.47
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000316727	0	38	-2.0	-129.36	352.02	7.79	-121.57
CCCC1=CC=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000316728	0	44	-2.0	-127.21	373.25	6.96	-120.25
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000316731	0	46	-2.0	-120.32	374.58	7.34	-112.98
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000316732	0	46	-2.0	-127.13	392.03	7.15	-119.98
CCCC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000316733	0	44	-2.0	-127.07	376.12	6.52	-120.55
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000316734	0	48	-2.0	-126.44	401.81	8.25	-118.19
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C(C(=O)[O-])=C1	REAL300000316735	1	40	-2.0	-127.62	355.54	8.25	-119.37
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C(C(=O)[O-])=C1	REAL300000316736	0	37	-2.0	-125.14	349.11	7.81	-117.33
CCCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000316737	0	37	-2.0	-118.50	359.28	7.54	-110.96
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NN2C)C(C(=O)[O-])=C1	REAL300000316738	0	40	-2.0	-121.40	348.70	5.70	-115.70
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000316740	1	43	-2.0	-129.74	360.04	8.74	-121.00
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000316741	1	40	-2.0	-135.49	347.22	8.70	-126.79
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCC)C=C2C(=O)[O-])=C1	REAL300000316742	1	48	-2.0	-139.16	412.12	9.47	-129.69
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(COC(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000316744	1	46	-2.0	-128.96	405.98	9.09	-119.87
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C(C(=O)[O-])=C1	REAL300000316745	0	38	-2.0	-126.24	360.18	8.28	-117.96
CCCC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000316746	0	37	-2.0	-126.07	347.12	7.67	-118.40
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C(C(=O)[O-])=C1	REAL300000316747	1	44	-2.0	-131.36	376.77	9.54	-121.82
CCCC1=CC=C([N-]S(=O)(=O)C2=C(OC)SC=C2)C(C(=O)[O-])=C1	REAL300000316748	0	38	-2.0	-131.80	349.80	5.88	-125.92
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(C)S2)C(C(=O)[O-])=C1	REAL300000316749	0	43	-2.0	-123.16	392.51	7.74	-115.42
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C(C(=O)[O-])=C1	REAL300000316750	0	44	-2.0	-133.88	382.25	9.60	-124.28
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C(C(=O)[O-])=C1	REAL300000316751	0	47	-2.0	-124.99	392.35	8.03	-116.96
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)CC)C(C(=O)[O-])=C1	REAL300000316752	0	46	-2.0	-123.48	387.47	7.32	-116.16
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(=O)NC)C=C2)C(C(=O)[O-])=C1	REAL300000316753	1	46	-2.0	-134.09	398.78	4.95	-129.14
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C(C(=O)[O-])=C1	REAL300000316755	0	42	-2.0	-140.03	371.14	5.79	-134.24
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)O2)C(C(=O)[O-])=C1	REAL300000316756	0	40	-2.0	-128.90	353.63	7.03	-121.87
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C(C(=O)[O-])=C1	REAL300000316757	0	37	-2.0	-120.31	351.40	6.65	-113.66
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2OC)C(C(=O)[O-])=C1	REAL300000316758	0	41	-2.0	-122.17	368.49	7.34	-114.83
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000316759	1	43	-2.0	-129.61	380.75	8.97	-120.64
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C(C(=O)[O-])=C1	REAL300000316760	1	41	-2.0	-128.50	366.80	7.01	-121.49
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)S2)C(C(=O)[O-])=C1	REAL300000316761	0	38	-2.0	-124.77	351.33	5.88	-118.89
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000316762	0	48	-2.0	-148.37	398.99	9.72	-138.65
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C(C(=O)[O-])=C1	REAL300000316764	0	40	-2.0	-122.10	360.21	6.13	-115.97
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(COCC)=C2)C(C(=O)[O-])=C1	REAL300000316765	1	47	-2.0	-131.10	404.46	8.12	-122.98
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C(C(=O)[O-])=C1	REAL300000316766	0	47	-2.0	-125.40	407.22	8.62	-116.78
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000316767	0	50	-2.0	-126.47	413.93	8.37	-118.10
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C(C(=O)[O-])=C1	REAL300000316768	1	40	-2.0	-128.46	348.10	8.40	-120.06
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C(C(=O)[O-])=C1	REAL300000316769	0	40	-2.0	-135.49	354.55	7.79	-127.70
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C(C(=O)[O-])=C1	REAL300000316770	1	39	-2.0	-130.85	358.48	6.83	-124.02
CCCC1=CC=C([N-]S(=O)(=O)C2=NN(CC)N=C2)C(C(=O)[O-])=C1	REAL300000316771	0	39	-2.0	-125.87	348.25	4.30	-121.57
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(CC)N=C2)C(C(=O)[O-])=C1	REAL300000316772	0	40	-2.0	-121.36	369.21	6.36	-115.00
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C(C(=O)[O-])=C1	REAL300000316773	0	34	-2.0	-121.62	327.29	6.05	-115.57
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000316774	1	46	-2.0	-140.24	386.31	10.28	-129.96
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000316776	0	37	-2.0	-123.24	355.06	8.05	-115.19
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000316777	0	47	-2.0	-132.44	403.14	8.78	-123.66
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000316779	0	41	-2.0	-129.34	371.36	8.75	-120.59
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316780	1	40	-2.0	-115.11	373.00	8.24	-106.87
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CO2)C(C(=O)[O-])=C1	REAL300000316782	0	37	-2.0	-127.81	332.13	6.10	-121.71
CCCC1=CC=C([N-]S(=O)(=O)C2=C(OC)C(OC)=CS2)C(C(=O)[O-])=C1	REAL300000316783	0	42	-2.0	-126.24	380.50	5.44	-120.80
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316784	0	36	-2.0	-111.98	345.17	6.06	-105.92
CCCC1=CC=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C(C(=O)[O-])=C1	REAL300000316785	0	43	-2.0	-127.86	370.94	7.44	-120.42
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000316786	1	44	-2.0	-137.52	381.26	9.19	-128.33
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000316787	0	34	-2.0	-115.77	352.61	7.53	-108.24
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000316788	0	37	-2.0	-120.78	347.40	5.49	-115.29
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000316789	1	42	-2.0	-125.52	380.22	8.11	-117.41
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C(C(=O)[O-])=C1	REAL300000316790	0	43	-2.0	-138.84	364.03	9.23	-129.61
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C(C(=O)[O-])=C1	REAL300000316791	0	35	-2.0	-124.83	331.73	5.88	-118.95
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)C(C(=O)[O-])=C1	REAL300000316792	0	39	-2.0	-116.29	355.29	6.82	-109.47
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCC)C=C2C(=O)[O-])=C1	REAL300000316793	1	48	-2.0	-132.73	411.21	9.06	-123.67
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)N=C2C2CC2)C(C(=O)[O-])=C1	REAL300000316794	0	47	-2.0	-129.34	404.35	8.23	-121.11
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000316795	0	41	-2.0	-133.11	365.78	6.79	-126.32
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NN2C2CCCC2)C(C(=O)[O-])=C1	REAL300000316798	0	50	-2.0	-125.97	415.44	8.57	-117.40
CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(C(=O)[O-])=C1	REAL300000316799	0	34	-2.0	-123.11	326.31	5.94	-117.17
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C(C(=O)[O-])=C1	REAL300000316800	0	34	-2.0	-121.09	336.35	6.95	-114.14
CCCC1=CC=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000316801	0	45	-2.0	-124.88	379.83	5.18	-119.70
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C(C(=O)[O-])=C1	REAL300000316802	1	44	-2.0	-131.54	371.09	9.60	-121.94
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)N=C2C)C(C(=O)[O-])=C1	REAL300000316806	1	43	-2.0	-120.88	370.38	4.87	-116.01
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)C(C(=O)[O-])=C1	REAL300000316807	0	43	-2.0	-133.61	374.95	5.26	-128.35
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2OC)C(C(=O)[O-])=C1	REAL300000316808	0	40	-2.0	-125.84	370.26	5.10	-120.74
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)C(C(=O)[O-])=C1	REAL300000316809	1	43	-2.0	-122.84	374.85	4.84	-118.00
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000316810	0	46	-2.0	-125.45	394.93	7.53	-117.92
CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)C(C(=O)[O-])=C1	REAL300000316811	0	46	-2.0	-127.24	391.14	7.17	-120.07
CCCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C(C(=O)[O-])=C1	REAL300000316812	0	36	-2.0	-123.82	354.88	5.42	-118.40
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C(C(=O)[O-])=C1	REAL300000316813	0	35	-2.0	-127.71	330.47	5.85	-121.86
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C(C(=O)[O-])=C1	REAL300000316814	0	35	-2.0	-122.99	339.56	6.77	-116.22
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C(C(=O)[O-])=C1	REAL300000316815	0	43	-2.0	-122.82	369.24	6.69	-116.13
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(=O)OC)C(C)=C2)C(C(=O)[O-])=C1	REAL300000316816	0	45	-2.0	-119.88	394.32	6.80	-113.08
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000316817	0	40	-2.0	-132.43	369.40	9.24	-123.19
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C(C(=O)[O-])=C1	REAL300000316818	0	44	-2.0	-121.95	379.75	7.56	-114.39
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000316819	0	44	-2.0	-130.05	381.26	8.58	-121.47
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000316821	0	46	-2.0	-125.19	390.62	7.24	-117.95
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C(C(=O)[O-])=C1	REAL300000316822	1	44	-2.0	-134.24	387.41	9.64	-124.60
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000316823	0	39	-2.0	-123.83	354.88	6.46	-117.37
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000316825	1	44	-2.0	-128.66	389.04	9.67	-118.99
CCCC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C(C(=O)[O-])=C1	REAL300000316826	0	41	-2.0	-131.40	377.99	7.90	-123.50
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C(C(=O)[O-])=C1	REAL300000316827	1	38	-2.0	-130.07	338.56	4.58	-125.49
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000316828	0	40	-2.0	-137.95	367.19	8.43	-129.52
CCCC1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C(C(=O)[O-])=C1	REAL300000316829	0	33	-2.0	-117.33	313.19	5.04	-112.29
CCCC1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000316830	0	41	-2.0	-142.59	375.60	6.69	-135.90
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C(C(=O)[O-])=C1	REAL300000316831	1	44	-2.0	-137.55	383.37	9.73	-127.82
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C=C2C(F)F)C(C(=O)[O-])=C1	REAL300000316832	1	44	-2.0	-129.00	378.55	7.92	-121.08
CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000316833	0	45	-2.0	-147.84	385.26	8.59	-139.25
CCCC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316834	0	42	-3.0	-190.93	374.30	7.87	-183.06
CCCC1=CC=C(NS(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000316834	1	43	-2.0	-98.06	374.49	7.52	-90.54
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)C(C(=O)[O-])=C1	REAL300000316835	0	50	-2.0	-140.55	417.00	9.43	-131.12
CCCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000316836	0	37	-2.0	-118.75	354.09	7.82	-110.93
CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C(C(=O)[O-])=C1	REAL300000316837	0	33	-2.0	-122.43	314.13	4.55	-117.88
CCCC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000316838	0	44	-2.0	-127.64	373.26	6.75	-120.89
CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C(C(=O)[O-])=C1	REAL300000316839	0	40	-2.0	-135.08	354.43	8.16	-126.92
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000316840	1	37	-2.0	-101.10	354.45	6.20	-94.90
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C2O1	REAL300000316841	1	37	-2.0	-91.48	349.90	6.18	-85.30
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000316842	1	37	-2.0	-103.31	349.92	6.17	-97.14
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000316843	1	40	-2.0	-104.33	365.94	6.71	-97.62
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2O1	REAL300000316844	0	37	-2.0	-100.21	355.40	6.24	-93.97
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2O1	REAL300000316845	0	34	-2.0	-97.84	343.11	5.19	-92.65
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C2O1	REAL300000316846	1	40	-2.0	-104.08	365.35	6.96	-97.12
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000316847	0	38	-2.0	-101.85	356.56	5.52	-96.33
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC=C2O1	REAL300000316848	0	37	-2.0	-94.19	359.04	5.85	-88.34
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2O1	REAL300000316849	0	34	-2.0	-99.28	341.57	5.21	-94.07
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C2O1	REAL300000316850	0	37	-2.0	-97.63	352.93	5.32	-92.31
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C2O1	REAL300000316851	0	37	-2.0	-100.75	358.52	6.06	-94.69
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2O1	REAL300000316852	1	37	-2.0	-91.20	354.45	6.21	-84.99
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2O1	REAL300000316853	0	34	-2.0	-93.03	342.19	5.30	-87.73
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000316854	1	37	-2.0	-94.41	356.33	6.23	-88.18
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2O1	REAL300000316855	0	37	-2.0	-90.72	355.39	6.24	-84.48
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2O1	REAL300000316856	0	38	-2.0	-103.00	359.64	3.89	-99.11
COC(=O)C1=CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2O1	REAL300000316856	1	38	-2.0	-104.12	358.84	4.69	-99.43
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2O1	REAL300000316857	1	40	-2.0	-94.47	372.09	6.96	-87.51
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C2O1	REAL300000316858	1	40	-2.0	-99.76	359.99	6.81	-92.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(C(=O)OC)=CC3=C2)C=C1C(=O)[O-]	REAL300000316860	0	41	-2.0	-103.13	377.94	6.38	-96.75
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C2O1	REAL300000316861	1	40	-2.0	-91.49	365.93	6.72	-84.77
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2O1	REAL300000316862	0	37	-2.0	-107.50	353.58	6.21	-101.29
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2O1	REAL300000316863	0	36	-2.0	-100.79	346.14	4.31	-96.48
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2O1	REAL300000316864	0	34	-2.0	-91.69	350.07	5.15	-86.54
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C(=O)OC)=CC3=C2)C=C(C(=O)[O-])O1	REAL300000316865	0	40	-2.0	-97.51	372.05	6.17	-91.34
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000316866	1	41	-2.0	-119.59	368.03	4.91	-114.68
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000316867	1	41	-2.0	-109.17	363.48	4.90	-104.27
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000316868	1	41	-2.0	-122.83	363.50	4.89	-117.94
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000316869	0	45	-2.0	-129.94	391.64	4.68	-125.26
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000316870	1	45	-2.0	-108.50	394.95	6.18	-102.32
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000316871	1	44	-2.0	-124.02	379.52	5.41	-118.61
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000316872	1	47	-2.0	-127.44	396.17	6.23	-121.21
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000316873	0	41	-2.0	-121.30	368.98	4.95	-116.35
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000316874	1	47	-2.0	-108.28	407.07	6.48	-101.80
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000316875	0	38	-2.0	-116.67	356.69	3.90	-112.77
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000316876	1	44	-2.0	-125.20	378.93	5.66	-119.54
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000316878	0	42	-2.0	-120.79	370.15	4.22	-116.57
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000316880	0	41	-2.0	-112.48	372.61	4.56	-107.92
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000316882	0	38	-2.0	-118.02	355.15	3.92	-114.10
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000316884	1	47	-2.0	-123.53	392.97	6.58	-116.95
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000316885	0	41	-2.0	-116.95	366.51	4.02	-112.93
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000316886	0	45	-2.0	-122.04	392.42	3.98	-118.06
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000316887	1	44	-2.0	-114.91	384.21	5.69	-109.22
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000316888	0	41	-2.0	-120.83	373.19	4.77	-116.06
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000316889	0	41	-2.0	-106.28	376.55	5.44	-100.84
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000316890	1	41	-2.0	-108.33	368.01	4.92	-103.41
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000316891	0	38	-2.0	-111.16	355.76	4.00	-107.16
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000316892	1	41	-2.0	-113.10	369.92	4.94	-108.16
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000316893	0	44	-2.0	-122.81	389.25	5.58	-117.23
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000316894	0	41	-2.0	-108.49	368.96	4.95	-103.54
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000316895	1	41	-2.0	-106.55	375.99	5.28	-101.27
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000316896	0	42	-2.0	-124.52	373.22	2.60	-121.92
CCNC(=O)C1=CC=C(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000316896	1	42	-2.0	-122.98	370.64	3.42	-119.56
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000316897	1	44	-2.0	-114.04	385.67	5.67	-108.37
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000316898	1	44	-2.0	-117.48	373.54	5.52	-111.96
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000316899	1	44	-2.0	-121.06	388.33	5.54	-115.52
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000316901	1	47	-2.0	-126.07	396.97	5.96	-120.11
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000316902	0	41	-2.0	-112.11	375.24	5.01	-107.10
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000316904	0	44	-2.0	-123.78	388.82	5.57	-118.21
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000316905	0	44	-2.0	-126.33	388.55	5.57	-120.76
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000316906	1	47	-2.0	-124.75	397.82	6.07	-118.68
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000316907	0	45	-2.0	-122.03	391.44	5.09	-116.94
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000316908	1	44	-2.0	-109.41	379.51	5.42	-103.99
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000316909	1	44	-2.0	-122.03	383.45	5.70	-116.33
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000316910	0	41	-2.0	-125.45	367.14	4.91	-120.54
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000316911	1	44	-2.0	-114.07	384.66	5.45	-108.62
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000316912	0	40	-2.0	-121.76	360.47	2.95	-118.81
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000316913	0	45	-2.0	-113.79	391.70	4.68	-109.11
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000316914	0	38	-2.0	-110.14	363.61	3.86	-106.28
CCNC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000316915	0	44	-2.0	-116.96	385.62	4.86	-112.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=CC=C1F	REAL300000316916	1	38	-2.0	-122.70	342.67	3.77	-118.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1	REAL300000316917	1	38	-2.0	-112.76	338.11	3.74	-109.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C1	REAL300000316918	1	38	-2.0	-126.07	338.13	3.73	-122.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCNC2=O)=C1	REAL300000316919	0	42	-2.0	-130.34	366.27	3.53	-126.81
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1	REAL300000316920	1	42	-2.0	-111.53	369.60	5.03	-106.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1C(=O)[O-]	REAL300000316921	1	41	-2.0	-127.49	354.22	4.27	-123.22
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C1	REAL300000316922	0	38	-2.0	-120.05	351.20	4.31	-115.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=CC=C1Cl	REAL300000316923	1	38	-2.0	-121.25	350.64	4.13	-117.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C1C	REAL300000316924	1	44	-2.0	-127.34	370.81	5.09	-122.25
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C1	REAL300000316925	0	38	-2.0	-122.25	343.60	3.80	-118.45
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1	REAL300000316926	1	44	-2.0	-110.71	381.69	5.32	-105.39
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C1	REAL300000316927	0	35	-2.0	-120.00	331.31	2.75	-117.25
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCNC2=O)=C1	REAL300000316928	1	41	-2.0	-125.06	353.56	4.52	-120.54
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1	REAL300000316929	1	42	-2.0	-110.35	369.21	4.01	-106.34
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1C(=O)[O-]	REAL300000316930	0	39	-2.0	-124.34	344.78	3.09	-121.25
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C1	REAL300000316932	0	38	-2.0	-115.84	347.24	3.42	-112.42
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1C(=O)[O-]	REAL300000316933	1	44	-2.0	-126.14	368.98	5.07	-121.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=CS1	REAL300000316934	0	35	-2.0	-121.45	329.78	2.77	-118.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1C(=O)[O-]	REAL300000316935	1	42	-2.0	-131.96	365.42	3.80	-128.16
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCNC2=O)=C1	REAL300000316936	1	44	-2.0	-122.74	368.28	5.45	-117.29
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000316937	0	38	-2.0	-118.26	341.13	2.87	-115.39
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C1	REAL300000316938	0	42	-2.0	-127.21	367.11	2.83	-124.38
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCNC2=O)=C1	REAL300000316939	1	41	-2.0	-115.68	358.84	4.55	-111.13
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C(C(=O)[O-])S1	REAL300000316940	0	38	-2.0	-121.48	346.73	3.62	-117.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C(Cl)=C1	REAL300000316941	0	38	-2.0	-110.07	351.18	4.30	-105.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1F	REAL300000316942	1	38	-2.0	-112.04	342.65	3.77	-108.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)S1	REAL300000316943	0	35	-2.0	-114.50	330.40	2.86	-111.64
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C1	REAL300000316944	1	38	-2.0	-116.54	344.54	3.79	-112.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C1F	REAL300000316945	0	41	-2.0	-123.79	363.88	4.44	-119.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C(F)=C1	REAL300000316946	0	38	-2.0	-112.56	343.59	3.81	-108.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1Cl	REAL300000316947	1	38	-2.0	-110.22	350.62	4.14	-106.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=CC(F)=C1F	REAL300000316948	1	38	-2.0	-114.04	348.95	3.83	-110.21
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C1	REAL300000316949	0	39	-2.0	-123.25	347.84	1.44	-121.81
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(N3CCNC3=O)=C2)=C1	REAL300000316949	1	39	-2.0	-121.92	346.92	2.32	-119.60
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1	REAL300000316950	1	41	-2.0	-115.45	360.30	4.51	-110.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2CCNC2=O)=C1	REAL300000316951	1	41	-2.0	-123.09	348.18	4.37	-118.72
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000316952	1	41	-2.0	-124.62	362.98	4.39	-120.23
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000316954	1	44	-2.0	-129.52	371.05	4.81	-124.71
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C1	REAL300000316955	0	38	-2.0	-113.94	349.88	3.86	-110.08
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1C(=O)[O-]	REAL300000316957	0	41	-2.0	-124.72	363.32	4.44	-120.28
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C1	REAL300000316958	0	41	-2.0	-132.50	363.17	4.43	-128.07
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1C(=O)[O-]	REAL300000316959	1	44	-2.0	-128.12	372.28	4.92	-123.20
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1C(=O)[O-]	REAL300000316960	0	42	-2.0	-125.46	366.26	3.95	-121.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=CC=C1C(=O)[O-]	REAL300000316961	1	41	-2.0	-112.99	354.14	4.28	-108.71
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCNC2=O)=C1	REAL300000316962	1	41	-2.0	-122.04	358.08	4.56	-117.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C1F	REAL300000316963	0	38	-2.0	-131.56	341.74	3.76	-127.80
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C1C(=O)[O-]	REAL300000316964	1	41	-2.0	-118.55	363.46	4.41	-114.14
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C1	REAL300000316965	0	37	-2.0	-121.37	335.11	1.79	-119.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2CCNC2=O)=C1	REAL300000316966	0	42	-2.0	-117.07	366.33	3.53	-113.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)=C(Cl)O1	REAL300000316967	0	35	-2.0	-112.43	338.27	2.72	-109.71
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000316968	0	41	-2.0	-117.68	360.26	3.72	-113.96
O=C([O-])C1=CC(S(=O)(=O)N2CCCC3=CC=C(F)C=C32)=CC(C(=O)[O-])=C1	REAL300000316996	0	38	-2.0	-117.74	336.57	8.10	-109.64
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=CC=C(F)C=C32)=C1	REAL300000317021	0	36	-2.0	-115.58	318.42	6.32	-109.26
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1OCC(N)=O	REAL300000317058	1	40	-2.0	-110.80	363.00	2.17	-108.63
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1OCC(N)=O	REAL300000317060	0	40	-2.0	-108.33	368.48	2.23	-106.10
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1OCC(N)=O	REAL300000317061	0	37	-2.0	-105.26	356.19	1.18	-104.08
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1OCC(N)=O	REAL300000317062	1	43	-2.0	-112.60	378.44	2.95	-109.65
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1OCC(N)=O	REAL300000317063	1	41	-2.0	-109.23	369.65	1.51	-107.72
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1OCC(N)=O	REAL300000317064	0	37	-2.0	-106.70	354.65	1.20	-105.50
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1OCC(N)=O	REAL300000317065	0	40	-2.0	-105.52	366.01	1.30	-104.22
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OCC(N)=O	REAL300000317066	1	40	-2.0	-98.52	367.53	2.21	-96.31
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1OCC(N)=O	REAL300000317067	0	37	-2.0	-100.34	355.27	1.30	-99.04
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OCC(N)=O	REAL300000317068	1	40	-2.0	-101.88	369.41	2.23	-99.65
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1OCC(N)=O	REAL300000317069	0	40	-2.0	-97.98	368.47	2.24	-95.74
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1OCC(N)=O	REAL300000317070	0	41	-2.0	-111.68	372.72	-0.12	-111.80
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1OCC(N)=O	REAL300000317070	1	41	-2.0	-110.27	361.73	0.77	-109.50
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1OCC(N)=O	REAL300000317071	1	43	-2.0	-102.75	385.17	2.95	-99.80
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1OCC(N)=O	REAL300000317072	1	43	-2.0	-106.50	373.08	2.81	-103.69
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C(OCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000317074	1	44	-2.0	-110.44	391.03	2.38	-108.06
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1OCC(N)=O	REAL300000317076	0	40	-2.0	-114.01	366.62	2.19	-111.82
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1OCC(N)=O	REAL300000317077	0	39	-2.0	-108.70	359.99	0.22	-108.48
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C(OCC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000317078	0	43	-2.0	-105.56	385.14	2.15	-103.41
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000317079	0	40	-2.0	-118.98	364.39	8.55	-110.43
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000317080	1	40	-2.0	-110.88	359.74	8.54	-102.34
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000317081	0	40	-2.0	-121.91	359.86	8.52	-113.39
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000317082	0	44	-2.0	-109.02	391.21	9.82	-99.20
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000317083	1	43	-2.0	-127.60	375.53	9.07	-118.53
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000317084	0	40	-2.0	-119.06	365.32	8.58	-110.48
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000317085	0	37	-2.0	-116.79	353.02	7.53	-109.26
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000317086	0	43	-2.0	-120.40	375.27	9.30	-111.10
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000317087	0	41	-2.0	-120.74	366.44	7.88	-112.86
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000317088	0	40	-2.0	-115.09	368.82	8.21	-106.88
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000317089	0	37	-2.0	-117.83	351.51	7.55	-110.28
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000317090	0	40	-2.0	-114.81	362.84	7.65	-107.16
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000317091	0	40	-2.0	-117.25	368.47	8.41	-108.84
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000317092	0	40	-2.0	-110.53	364.33	8.57	-101.96
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000317093	0	37	-2.0	-113.58	352.10	7.65	-105.93
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000317094	0	40	-2.0	-116.23	366.26	8.58	-107.65
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000317095	0	40	-2.0	-111.04	365.30	8.59	-102.45
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000317096	0	41	-2.0	-118.56	369.55	6.23	-112.33
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000317097	0	43	-2.0	-113.39	381.93	9.31	-104.08
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000317098	0	43	-2.0	-123.10	368.62	9.19	-113.91
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000317099	1	43	-2.0	-109.63	375.25	9.29	-100.34
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000317100	0	44	-2.0	-122.08	387.88	8.73	-113.35
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000317101	1	43	-2.0	-110.98	375.83	9.07	-101.91
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000317102	0	40	-2.0	-132.07	363.35	8.55	-123.52
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000317103	0	39	-2.0	-123.60	356.05	6.64	-116.96
CCN1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000317104	0	37	-2.0	-110.00	359.94	7.50	-102.50
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2CC)C=C(C(=O)[O-])O1	REAL300000317105	0	43	-2.0	-112.72	377.91	8.63	-104.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=CC=C1F	REAL300000317106	1	32	-2.0	-105.22	309.45	4.62	-100.60
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)F)=C1	REAL300000317107	0	40	-2.0	-106.42	364.54	5.67	-100.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1	REAL300000317108	1	32	-2.0	-95.33	304.90	4.59	-90.74
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317109	1	32	-2.0	-107.70	304.91	4.58	-103.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)F)=C1	REAL300000317110	0	36	-2.0	-113.06	333.06	4.38	-108.68
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1	REAL300000317111	1	36	-2.0	-95.16	336.38	5.88	-89.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000317112	1	35	-2.0	-108.89	320.93	5.12	-103.77
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317113	0	32	-2.0	-103.26	317.98	5.16	-98.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=CC=C1Cl	REAL300000317114	1	32	-2.0	-103.55	317.43	4.98	-98.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1C	REAL300000317115	1	38	-2.0	-110.57	337.59	5.94	-104.63
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317116	0	32	-2.0	-104.78	310.39	4.65	-100.13
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1	REAL300000317117	1	38	-2.0	-94.37	348.48	6.18	-88.19
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317118	0	29	-2.0	-101.89	298.10	3.60	-98.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)F)=C1	REAL300000317119	1	35	-2.0	-108.41	320.35	5.37	-103.04
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1	REAL300000317120	1	36	-2.0	-93.84	335.99	4.86	-88.98
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000317121	0	33	-2.0	-106.15	311.55	3.93	-102.22
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317123	0	32	-2.0	-98.15	314.02	4.27	-93.88
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000317124	1	38	-2.0	-110.02	335.98	5.93	-104.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=CS1	REAL300000317125	0	29	-2.0	-103.40	296.56	3.62	-99.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000317126	1	36	-2.0	-113.56	332.20	4.65	-108.91
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317127	1	42	-2.0	-112.31	360.16	7.21	-105.10
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)F)=C1	REAL300000317128	1	41	-2.0	-110.76	358.82	6.60	-104.16
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)F)=C1	REAL300000317129	1	38	-2.0	-106.93	335.07	6.30	-100.63
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)F)=C1	REAL300000317130	0	39	-2.0	-112.81	355.34	5.14	-107.67
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(OC(F)F)=C2)=C1	REAL300000317131	0	35	-2.0	-111.41	340.03	5.02	-106.39
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317131	1	34	-3.0	-182.27	333.32	5.15	-177.12
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317132	1	39	-2.0	-112.64	349.16	6.48	-106.16
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000317133	0	32	-2.0	-101.54	307.92	3.72	-97.82
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317134	0	36	-2.0	-108.90	333.90	3.67	-105.23
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(OC(F)F)=C3)C=C2C1	REAL300000317135	1	40	-2.0	-95.18	358.55	5.20	-89.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C(Cl)C=C1F	REAL300000317136	0	32	-2.0	-100.01	322.51	5.17	-94.84
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=CC=C1OCC(=O)[O-]	REAL300000317137	1	39	-2.0	-94.29	356.07	5.57	-88.72
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)F)=C1	REAL300000317138	1	35	-2.0	-99.10	325.62	5.40	-93.70
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1F	REAL300000317139	1	36	-2.0	-93.37	342.21	4.93	-88.44
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000317140	1	39	-2.0	-114.21	354.05	5.56	-108.65
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000317141	0	32	-2.0	-104.87	313.51	4.48	-100.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C(Cl)=C1	REAL300000317142	0	32	-2.0	-93.01	317.97	5.15	-87.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1F	REAL300000317143	1	32	-2.0	-94.89	309.44	4.63	-90.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)S1	REAL300000317144	0	29	-2.0	-96.85	297.18	3.72	-93.13
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317145	1	32	-2.0	-98.59	311.32	4.65	-93.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1F	REAL300000317146	0	35	-2.0	-106.23	330.67	5.29	-100.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C(F)=C1	REAL300000317147	0	32	-2.0	-94.75	310.38	4.66	-90.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1Cl	REAL300000317148	1	32	-2.0	-92.92	317.41	4.99	-87.93
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)F)=C1	REAL300000317149	1	35	-2.0	-100.76	334.35	5.79	-94.97
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1	REAL300000317150	1	40	-2.0	-91.98	368.66	6.00	-85.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=CC(F)=C1F	REAL300000317151	1	32	-2.0	-96.80	315.73	4.68	-92.12
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317152	0	34	-2.0	-92.78	333.11	5.25	-87.53
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317153	0	33	-2.0	-107.32	314.63	2.30	-105.02
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(OC(F)F)=C2)=C1	REAL300000317153	1	33	-2.0	-106.36	313.72	3.17	-103.19
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1	REAL300000317154	1	35	-2.0	-98.84	327.08	5.37	-93.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=CC(Cl)=C1F	REAL300000317155	1	32	-2.0	-98.23	325.62	5.12	-93.11
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)F)=C1	REAL300000317156	1	35	-2.0	-104.11	314.98	5.22	-98.89
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000317157	1	35	-2.0	-106.55	329.75	5.24	-101.31
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)F)=C1	REAL300000317158	1	35	-2.0	-95.55	320.33	5.36	-90.19
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000317159	1	38	-2.0	-112.11	341.71	5.75	-106.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=CC=C1[N+](=O)[O-]	REAL300000317160	0	34	-2.0	-106.15	331.47	5.68	-100.47
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317161	0	32	-2.0	-96.48	316.67	4.71	-91.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000317162	1	38	-2.0	-108.57	338.30	5.99	-102.58
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000317163	0	35	-2.0	-107.06	330.23	5.28	-101.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1Cl	REAL300000317164	0	35	-2.0	-104.96	336.67	5.72	-99.24
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317165	0	35	-2.0	-112.73	329.95	5.28	-107.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000317166	1	38	-2.0	-109.53	338.85	5.77	-103.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1CC(=O)[O-]	REAL300000317167	1	39	-2.0	-109.25	355.38	4.72	-104.53
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)F)=C1	REAL300000317168	1	35	-2.0	-97.35	331.17	5.76	-91.59
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000317169	1	35	-2.0	-105.32	336.14	5.54	-99.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000317170	0	36	-2.0	-107.37	333.05	4.80	-102.57
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000317172	1	35	-2.0	-102.21	338.65	5.65	-96.56
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000317173	1	35	-2.0	-95.47	320.92	5.13	-90.34
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)F)=C1	REAL300000317174	1	35	-2.0	-106.19	324.45	5.43	-100.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1[N+](=O)[O-]	REAL300000317175	0	34	-2.0	-115.18	328.66	6.44	-108.74
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1F	REAL300000317176	0	32	-2.0	-111.94	308.58	4.62	-107.32
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000317177	1	35	-2.0	-100.37	329.86	5.26	-95.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=CC2=CC=CC=C21	REAL300000317178	1	38	-2.0	-115.95	345.96	6.71	-109.24
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C1	REAL300000317179	0	31	-2.0	-104.64	301.90	2.64	-102.00
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(F)F)=C1	REAL300000317180	0	36	-2.0	-99.60	333.11	4.39	-95.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)=C(Cl)O1	REAL300000317181	0	29	-2.0	-95.38	305.06	3.57	-91.81
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(OC(F)F)=C3)C=C2)CC1	REAL300000317182	1	39	-2.0	-101.93	351.04	6.47	-95.46
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(OC(F)F)=C3)C=C2C1	REAL300000317183	1	39	-2.0	-105.63	350.35	6.47	-99.16
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000317184	0	35	-2.0	-101.38	327.04	4.57	-96.81
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000317185	0	36	-2.0	-109.99	338.68	3.94	-106.05
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000317186	0	36	-2.0	-99.91	334.14	3.92	-95.99
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000317187	0	36	-2.0	-112.69	334.14	3.91	-108.78
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000317188	0	40	-2.0	-99.61	365.61	5.21	-94.40
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000317189	0	39	-2.0	-113.95	350.16	4.43	-109.52
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000317190	0	36	-2.0	-110.33	339.61	3.96	-106.37
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000317191	0	33	-2.0	-106.84	327.33	2.93	-103.91
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000317192	0	39	-2.0	-113.83	349.57	4.68	-109.15
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000317193	0	37	-2.0	-110.94	340.79	3.26	-107.68
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000317194	0	36	-2.0	-102.87	343.28	3.60	-99.27
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000317195	0	33	-2.0	-108.32	325.79	2.94	-105.38
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000317196	0	36	-2.0	-106.50	337.15	3.05	-103.45
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000317197	0	36	-2.0	-109.98	343.83	3.79	-106.19
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000317198	0	36	-2.0	-99.25	338.67	3.95	-95.30
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000317199	0	33	-2.0	-101.63	326.41	3.03	-98.60
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000317200	0	36	-2.0	-103.44	340.56	3.97	-99.47
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000317201	0	36	-2.0	-99.36	339.61	3.98	-95.38
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000317202	0	37	-2.0	-112.78	343.86	1.61	-111.17
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000317203	0	39	-2.0	-104.03	356.33	4.69	-99.34
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000317204	0	39	-2.0	-108.39	344.18	4.54	-103.85
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000317205	0	39	-2.0	-100.03	349.56	4.68	-95.35
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000317206	0	40	-2.0	-112.18	362.09	4.11	-108.07
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000317207	0	39	-2.0	-100.03	350.15	4.44	-95.59
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000317208	0	36	-2.0	-116.37	337.77	3.94	-112.43
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000317209	0	35	-2.0	-110.26	331.11	1.97	-108.29
COC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000317210	0	33	-2.0	-100.24	334.25	2.88	-97.36
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000317211	0	39	-2.0	-106.27	356.26	3.90	-102.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)=C1	REAL300000317214	1	37	-2.0	-107.79	347.05	3.48	-104.31
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)=C1	REAL300000317218	0	37	-2.0	-104.93	352.60	3.56	-101.37
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)C=C1	REAL300000317219	1	43	-2.0	-94.46	390.61	5.08	-89.38
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)=C1	REAL300000317220	0	34	-2.0	-101.99	340.30	2.51	-99.48
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000317222	1	38	-2.0	-106.18	353.69	2.84	-103.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)=C1	REAL300000317223	0	37	-2.0	-98.11	356.15	3.16	-94.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)=CS1	REAL300000317225	1	34	-2.0	-103.46	338.77	2.53	-100.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000317227	0	37	-2.0	-101.87	350.07	2.62	-99.25
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000317228	1	37	-2.0	-105.28	355.72	3.39	-101.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)C=C1F	REAL300000317229	1	37	-2.0	-94.94	351.58	3.53	-91.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)S1	REAL300000317230	0	34	-2.0	-96.96	339.30	2.61	-94.35
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)=C1	REAL300000317231	1	37	-2.0	-98.57	353.52	3.57	-95.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)C(F)=C1	REAL300000317232	0	37	-2.0	-94.66	352.50	3.56	-91.10
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)=C1	REAL300000317233	0	38	-2.0	-107.78	356.83	1.20	-106.58
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3=CN=CC=N3)C=C2)=C1	REAL300000317233	1	38	-2.0	-107.61	355.74	2.07	-105.54
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)C=C1	REAL300000317234	1	40	-2.0	-98.92	369.21	4.27	-94.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000317240	1	41	-2.0	-107.46	375.06	3.71	-103.75
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)=C1F	REAL300000317242	0	37	-2.0	-111.38	350.73	3.52	-107.86
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)=C1	REAL300000317243	0	36	-2.0	-105.07	343.33	1.61	-103.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)=C(Cl)O1	REAL300000317244	0	34	-2.0	-95.67	347.19	2.46	-93.21
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CN=CC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000317245	0	40	-2.0	-101.74	369.24	3.48	-98.26
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C(=O)N1CCCC1	REAL300000317246	0	45	-2.0	-105.42	390.47	6.97	-98.45
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C(=O)N1CCCC1	REAL300000317247	0	45	-2.0	-116.02	390.49	6.96	-109.06
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C(=O)N1CCCC1	REAL300000317248	0	42	-2.0	-110.78	383.68	5.97	-104.81
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C(=O)N1CCCC1	REAL300000317249	0	46	-2.0	-115.19	397.13	6.30	-108.89
CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C(=O)N1CCCC1	REAL300000317250	0	42	-2.0	-111.80	382.14	6.00	-105.80
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)N3CCCC3)C(C)=CC=C2)C=C(C(=O)[O-])O1	REAL300000317251	0	45	-2.0	-112.89	393.49	6.11	-106.78
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C(=O)N1CCCC1	REAL300000317252	0	42	-2.0	-106.42	382.73	6.09	-100.33
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C(=O)N1CCCC1	REAL300000317253	0	44	-2.0	-114.10	387.47	5.00	-109.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(COCC(F)(F)F)C=C2)=C1	REAL300000317255	1	38	-2.0	-110.21	362.18	6.16	-104.05
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(COCC(F)(F)F)C=C2)=C1	REAL300000317256	0	35	-2.0	-104.60	355.35	5.18	-99.42
CN1C=C(S(=O)(=O)[N-]C2=CC=C(COCC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000317257	1	39	-2.0	-108.66	368.82	5.51	-103.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(COCC(F)(F)F)C=C2)=CS1	REAL300000317258	0	35	-2.0	-105.95	353.82	5.20	-100.75
CC1=C(S(=O)(=O)[N-]C2=CC=C(COCC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000317259	0	38	-2.0	-104.28	365.20	5.30	-98.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(COCC(F)(F)F)C=C2)S1	REAL300000317260	0	35	-2.0	-100.18	354.43	5.29	-94.89
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(COCC(F)(F)F)C=C2)=C1	REAL300000317261	0	37	-2.0	-108.08	358.38	4.28	-103.80
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000317262	1	36	-2.0	-109.34	344.31	0.76	-108.58
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000317263	1	36	-2.0	-100.70	339.76	0.74	-99.96
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000317264	1	36	-2.0	-114.80	339.82	0.73	-114.07
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000317265	1	40	-2.0	-100.50	371.21	2.03	-98.47
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000317266	1	39	-2.0	-113.63	355.84	1.25	-112.38
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000317267	1	42	-2.0	-116.17	372.42	2.08	-114.09
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000317268	0	36	-2.0	-110.52	345.24	0.80	-109.72
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000317269	1	42	-2.0	-99.69	383.33	2.32	-97.37
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000317270	0	33	-2.0	-106.35	333.00	-0.26	-106.61
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000317271	1	39	-2.0	-114.03	355.19	1.52	-112.51
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000317272	0	37	-2.0	-112.42	346.42	0.08	-112.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(S(N)(=O)=O)=CC=C2C)=C1	REAL300000317273	0	36	-2.0	-103.64	348.92	0.41	-103.23
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000317274	1	42	-2.0	-114.72	371.27	2.05	-112.67
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000317275	0	33	-2.0	-107.99	331.42	-0.23	-108.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(S(N)(=O)=O)=CC=C1C	REAL300000317276	1	42	-2.0	-112.46	369.37	2.44	-110.02
CC1=C(S(=O)(=O)[N-]C2=CC(S(N)(=O)=O)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000317277	0	36	-2.0	-108.96	342.82	-0.14	-109.10
CC1=C(S(=O)(=O)[N-]C2=CC(S(N)(=O)=O)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000317278	0	36	-2.0	-109.82	349.51	0.61	-109.21
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000317279	1	36	-2.0	-99.92	344.29	0.77	-99.15
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000317280	0	33	-2.0	-102.40	332.07	-0.14	-102.54
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000317281	1	36	-2.0	-103.65	346.24	0.78	-102.87
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000317282	0	36	-2.0	-100.02	345.28	0.80	-99.22
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000317283	0	37	-2.0	-113.47	349.47	-1.55	-115.02
CC1=CC=C(S(N)(=O)=O)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000317283	1	37	-2.0	-104.85	343.64	-0.67	-105.52
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000317284	1	39	-2.0	-104.91	361.93	1.52	-103.39
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000317285	1	39	-2.0	-107.73	349.80	1.37	-106.36
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000317286	1	39	-2.0	-100.88	355.17	1.51	-99.37
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000317287	1	42	-2.0	-117.53	373.23	1.81	-115.72
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000317288	1	42	-2.0	-113.57	374.23	2.12	-111.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(S(N)(=O)=O)=CC=C2C)C=C1C(=O)[O-]	REAL300000317289	1	42	-2.0	-114.35	374.14	1.92	-112.43
CCN1C=C(S(=O)(=O)[N-]C2=CC(S(N)(=O)=O)=CC=C2C)C=C1C(=O)[O-]	REAL300000317290	0	40	-2.0	-112.29	367.78	0.93	-111.36
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000317291	1	39	-2.0	-100.93	355.77	1.28	-99.65
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000317292	0	36	-2.0	-117.17	343.47	0.76	-116.41
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000317293	0	35	-2.0	-112.35	336.81	-1.21	-113.56
CC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000317294	0	33	-2.0	-101.85	339.86	-0.28	-102.13
CCC1=C(S(=O)(=O)[N-]C2=CC(S(N)(=O)=O)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000317295	0	39	-2.0	-107.13	361.88	0.72	-106.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)=CC=C1F	REAL300000317296	1	34	-2.0	-98.09	338.78	3.11	-94.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)C=C1	REAL300000317297	1	34	-2.0	-88.56	334.24	3.09	-85.47
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)=C1	REAL300000317298	0	34	-2.0	-100.17	334.26	3.07	-97.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000317299	1	37	-2.0	-102.45	354.32	3.72	-98.73
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)=C1	REAL300000317300	0	34	-2.0	-97.61	339.73	3.15	-94.46
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)=C1	REAL300000317301	0	31	-2.0	-94.78	327.44	2.10	-92.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(F)(F)F)N=C1	REAL300000317302	1	37	-2.0	-101.96	349.69	3.86	-98.10
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000317303	0	35	-2.0	-98.65	340.90	2.44	-96.21
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)=C1	REAL300000317304	0	34	-2.0	-91.10	343.36	2.77	-88.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)=CS1	REAL300000317305	0	31	-2.0	-96.16	325.90	2.11	-94.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000317306	0	34	-2.0	-95.14	337.26	2.23	-92.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)C=C(C(=O)[O-])S1	REAL300000317307	0	34	-2.0	-98.45	342.85	2.98	-95.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)C=C1F	REAL300000317308	0	34	-2.0	-88.30	338.77	3.12	-85.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)S1	REAL300000317309	0	31	-2.0	-90.01	326.52	2.21	-87.80
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)=C1	REAL300000317310	0	34	-2.0	-91.39	340.66	3.15	-88.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)C(F)=C1	REAL300000317311	0	34	-2.0	-87.58	339.70	3.15	-84.43
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)=C1	REAL300000317312	0	35	-2.0	-101.08	343.97	0.79	-100.29
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)C=C1	REAL300000317313	0	37	-2.0	-91.81	356.43	3.86	-87.95
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC(F)(F)F)N=C1	REAL300000317314	1	37	-2.0	-96.17	344.29	3.71	-92.46
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC(F)(F)F)N=C1	REAL300000317315	1	37	-2.0	-89.07	349.66	3.85	-85.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000317316	0	38	-2.0	-99.94	362.27	3.29	-96.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000317317	1	37	-2.0	-88.58	350.26	3.63	-84.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)=C1F	REAL300000317318	0	34	-2.0	-103.52	337.91	3.11	-100.41
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)=C1	REAL300000317319	0	33	-2.0	-97.72	330.47	1.21	-96.51
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000317320	0	37	-2.0	-95.18	356.38	3.08	-92.10
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000317321	1	41	-2.0	-106.73	366.79	5.51	-101.22
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000317322	1	41	-2.0	-97.56	362.24	5.49	-92.07
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000317323	1	41	-2.0	-110.57	362.26	5.48	-105.09
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000317324	0	45	-2.0	-115.73	390.40	5.28	-110.45
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000317325	1	45	-2.0	-97.18	393.69	6.77	-90.41
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000317326	1	44	-2.0	-111.71	378.35	6.02	-105.69
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000317327	0	41	-2.0	-105.92	375.32	6.05	-99.87
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000317328	1	41	-2.0	-105.12	374.76	5.87	-99.25
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000317329	1	47	-2.0	-113.39	395.36	6.82	-106.57
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000317330	0	41	-2.0	-107.49	367.73	5.54	-101.95
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000317331	1	47	-2.0	-96.25	405.80	7.07	-89.18
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000317332	0	38	-2.0	-104.73	355.44	4.49	-100.24
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000317333	1	44	-2.0	-111.50	377.69	6.27	-105.23
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000317335	0	42	-2.0	-108.24	368.61	4.84	-103.40
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000317337	0	41	-2.0	-100.09	371.39	5.17	-94.92
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000317339	0	38	-2.0	-105.12	353.91	4.51	-100.61
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000317341	1	47	-2.0	-109.71	391.74	7.19	-102.52
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000317342	0	41	-2.0	-104.37	365.26	4.61	-99.76
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000317343	0	45	-2.0	-110.31	391.22	4.57	-105.74
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000317344	1	44	-2.0	-101.98	382.96	6.30	-95.68
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000317345	1	41	-2.0	-107.81	370.88	5.37	-102.44
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000317346	0	41	-2.0	-94.94	375.30	6.04	-88.90
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000317347	1	41	-2.0	-96.93	366.77	5.52	-91.41
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000317348	0	38	-2.0	-98.93	354.51	4.61	-94.32
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000317349	1	41	-2.0	-100.01	368.38	5.56	-94.45
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000317350	0	44	-2.0	-108.88	388.01	6.17	-102.71
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000317351	0	41	-2.0	-96.69	367.71	5.55	-91.14
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000317352	1	41	-2.0	-95.01	374.74	5.88	-89.13
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000317353	1	41	-2.0	-99.59	373.07	5.57	-94.02
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000317354	0	42	-2.0	-110.26	371.97	3.19	-107.07
CCC(=O)NC1=CC=C(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000317354	1	42	-2.0	-110.10	369.13	4.00	-106.10
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000317355	1	44	-2.0	-100.81	384.42	6.26	-94.55
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000317356	1	44	-2.0	-105.63	372.36	6.12	-99.51
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000317357	1	44	-2.0	-108.12	387.09	6.13	-101.99
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000317359	1	47	-2.0	-113.50	395.65	6.56	-106.94
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000317360	0	41	-2.0	-98.99	373.99	5.61	-93.38
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000317362	0	44	-2.0	-108.58	383.80	6.08	-102.50
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000317363	0	44	-2.0	-114.01	387.29	6.17	-107.84
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000317364	1	47	-2.0	-110.98	396.20	6.67	-104.31
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000317365	0	45	-2.0	-109.52	389.91	5.69	-103.83
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000317366	1	44	-2.0	-97.69	378.33	6.03	-91.66
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000317368	0	41	-2.0	-113.20	365.89	5.50	-107.70
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000317369	1	44	-2.0	-102.09	383.49	6.05	-96.04
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000317370	0	40	-2.0	-107.53	358.17	3.62	-103.91
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000317371	0	45	-2.0	-101.62	390.46	5.28	-96.34
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000317372	0	38	-2.0	-98.05	362.36	4.45	-93.60
CCC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000317373	0	44	-2.0	-104.14	384.38	5.46	-98.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)=CC=C1F	REAL300000317374	1	40	-2.0	-108.99	367.89	5.88	-103.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)C=C1	REAL300000317375	1	40	-2.0	-99.30	363.33	5.86	-93.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)=C1	REAL300000317376	1	40	-2.0	-111.86	363.35	5.85	-106.01
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)=C1	REAL300000317378	0	40	-2.0	-109.72	368.83	5.91	-103.81
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)=C1	REAL300000317379	0	37	-2.0	-106.11	356.54	4.87	-101.24
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CN2CCOC2=O)=C1	REAL300000317380	1	43	-2.0	-114.03	378.78	6.63	-107.40
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)C=C1C(=O)[O-]	REAL300000317381	1	41	-2.0	-110.19	370.00	5.19	-105.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)=C1	REAL300000317382	0	40	-2.0	-101.99	372.46	5.53	-96.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)=CS1	REAL300000317383	0	37	-2.0	-107.54	355.00	4.88	-102.66
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000317384	0	40	-2.0	-106.52	366.36	4.99	-101.53
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)C=C(C(=O)[O-])S1	REAL300000317385	1	40	-2.0	-110.28	371.95	5.73	-104.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)C=C1F	REAL300000317386	1	40	-2.0	-98.84	367.88	5.89	-92.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)S1	REAL300000317387	0	37	-2.0	-100.82	355.62	4.98	-95.84
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)=C1	REAL300000317388	1	40	-2.0	-102.65	369.76	5.92	-96.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)C(F)=C1	REAL300000317389	0	40	-2.0	-98.41	368.81	5.92	-92.49
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)=C1	REAL300000317390	0	41	-2.0	-113.25	373.06	3.56	-109.69
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(CN3CCOC3=O)=C2)=C1	REAL300000317390	1	41	-2.0	-110.28	372.25	4.35	-105.93
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)C=C1	REAL300000317391	1	43	-2.0	-103.66	385.52	6.63	-97.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CN2CCOC2=O)=C1	REAL300000317392	1	43	-2.0	-106.75	373.42	6.49	-100.26
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)C=C1C(=O)[O-]	REAL300000317394	0	44	-2.0	-111.36	391.37	6.07	-105.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)=C1F	REAL300000317396	0	40	-2.0	-114.31	367.01	5.89	-108.42
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)=C1	REAL300000317397	0	39	-2.0	-109.44	359.57	3.98	-105.46
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCOC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000317398	0	43	-2.0	-106.77	385.48	5.84	-100.93
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000317399	0	41	-2.0	-92.89	365.81	1.37	-91.52
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000317400	0	34	-2.0	-109.19	313.91	2.81	-106.38
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317401	0	42	-2.0	-108.66	368.98	3.88	-104.78
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000317402	0	34	-2.0	-105.15	325.78	3.47	-101.68
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000317403	0	34	-2.0	-99.54	309.34	2.79	-96.75
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000317404	0	34	-2.0	-111.50	309.36	2.78	-108.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317405	0	38	-2.0	-115.20	337.50	2.59	-112.61
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000317406	0	34	-2.0	-107.02	325.62	3.27	-103.75
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000317407	0	38	-2.0	-98.75	340.81	4.08	-94.67
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C1C(=O)[O-]	REAL300000317408	0	37	-2.0	-112.70	325.40	3.32	-109.38
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000317409	0	34	-2.0	-105.78	322.43	3.34	-102.44
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000317410	0	34	-2.0	-107.51	321.89	3.17	-104.34
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000317411	0	34	-2.0	-101.59	334.93	3.71	-97.88
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000317411	1	33	-3.0	-200.85	333.74	2.96	-197.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=C1C	REAL300000317412	0	40	-2.0	-112.40	341.75	4.07	-108.33
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000317413	0	34	-2.0	-107.30	314.84	2.84	-104.46
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000317414	0	40	-2.0	-97.69	352.92	4.37	-93.32
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000317415	0	31	-2.0	-105.99	302.54	1.80	-104.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317416	0	37	-2.0	-110.50	324.79	3.55	-106.95
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000317417	0	38	-2.0	-97.51	340.43	3.07	-94.44
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000317418	0	45	-2.0	-94.55	386.20	3.84	-90.71
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000317419	0	31	-2.0	-101.74	319.57	2.56	-99.18
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000317419	1	30	-3.0	-199.50	318.39	1.80	-197.70
CN1C=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C1C(=O)[O-]	REAL300000317420	0	35	-2.0	-110.36	316.01	2.14	-108.22
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317421	0	38	-2.0	-111.19	333.56	1.58	-109.61
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000317422	0	34	-2.0	-108.97	334.26	3.42	-105.55
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000317422	1	33	-3.0	-213.05	333.07	2.68	-210.37
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=C1	REAL300000317423	0	34	-2.0	-102.19	318.48	2.47	-99.72
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C1C(=O)[O-]	REAL300000317424	0	40	-2.0	-111.97	340.43	4.05	-107.92
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000317425	0	31	-2.0	-107.41	301.01	1.82	-105.59
COC1=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=CC(C(=O)[O-])=C1OC	REAL300000317426	0	42	-2.0	-112.37	367.69	2.59	-109.78
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C1C(=O)[O-]	REAL300000317427	0	38	-2.0	-117.51	336.65	2.85	-114.66
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000317428	0	44	-2.0	-114.39	364.60	5.31	-109.08
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317429	0	43	-2.0	-112.53	363.25	4.75	-107.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317430	0	40	-2.0	-108.22	339.50	4.30	-103.92
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317431	0	41	-2.0	-117.44	359.79	3.35	-114.09
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000317432	0	36	-3.0	-187.27	337.77	3.34	-183.93
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000317433	0	41	-2.0	-114.76	353.61	4.66	-110.10
CC1=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C(C(=O)[O-])O1	REAL300000317434	0	34	-2.0	-104.58	312.36	1.93	-102.65
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000317435	0	40	-2.0	-116.56	351.52	2.55	-114.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=C1	REAL300000317436	0	38	-2.0	-114.76	338.26	1.88	-112.88
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000317437	0	42	-2.0	-98.71	362.99	3.39	-95.32
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000317438	0	34	-2.0	-101.42	337.04	3.63	-97.79
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000317438	1	33	-3.0	-201.87	335.85	2.89	-198.98
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000317439	0	34	-2.0	-102.74	326.95	3.36	-99.38
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000317439	1	33	-3.0	-200.49	325.76	2.61	-197.88
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000317440	0	38	-2.0	-96.14	356.47	3.60	-92.54
CC1=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=CC=C1OCC(=O)[O-]	REAL300000317441	0	41	-2.0	-98.04	360.51	3.77	-94.27
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000317442	0	44	-2.0	-96.67	389.11	4.03	-92.64
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317443	0	37	-2.0	-101.70	330.06	3.58	-98.12
CC1=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=CC=C1OCCCC(=O)[O-]	REAL300000317444	0	47	-2.0	-97.87	402.96	4.70	-93.17
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000317445	0	38	-2.0	-97.12	346.67	3.13	-93.99
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000317446	0	44	-2.0	-96.32	398.91	4.52	-91.80
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C1C(=O)[O-]	REAL300000317447	0	41	-2.0	-118.07	358.50	3.76	-114.31
CC1=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C(C(=O)[O-])S1	REAL300000317448	0	34	-2.0	-107.35	317.96	2.68	-104.67
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000317449	0	34	-2.0	-99.98	337.58	3.79	-96.19
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000317449	1	33	-3.0	-199.34	336.39	3.03	-196.31
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000317450	0	34	-2.0	-97.12	322.41	3.33	-93.79
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000317451	0	34	-2.0	-96.66	325.75	3.45	-93.21
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000317452	0	34	-2.0	-99.18	313.88	2.82	-96.36
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000317453	0	31	-2.0	-100.99	301.63	1.91	-99.08
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000317454	0	34	-2.0	-102.57	315.76	2.85	-99.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=C1F	REAL300000317455	0	37	-2.0	-108.82	335.13	3.48	-105.34
COC1=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=C(Cl)C=C1C(=O)[O-]	REAL300000317456	0	38	-2.0	-101.95	349.67	3.39	-98.56
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000317457	0	34	-2.0	-98.99	314.82	2.85	-96.14
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000317458	0	34	-2.0	-97.16	321.85	3.18	-93.98
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317459	0	37	-2.0	-103.29	338.80	3.97	-99.32
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317460	0	37	-2.0	-102.65	340.19	4.00	-98.65
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000317461	0	42	-2.0	-95.54	373.10	4.19	-91.35
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000317462	0	34	-2.0	-96.71	325.59	3.28	-93.43
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000317463	0	34	-2.0	-101.03	320.19	2.87	-98.16
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000317463	1	33	-3.0	-198.75	319.00	2.13	-196.62
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000317464	0	36	-2.0	-96.90	337.56	3.45	-93.45
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000317465	0	35	-2.0	-108.50	319.07	0.51	-107.99
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000317465	1	34	-3.0	-207.24	315.51	1.38	-205.86
CC1=C(Br)C=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C1C(=O)[O-]	REAL300000317466	0	37	-2.0	-105.49	343.26	3.84	-101.65
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000317467	0	37	-2.0	-101.76	331.52	3.56	-98.20
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000317468	0	34	-2.0	-102.43	330.07	3.31	-99.12
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000317468	1	33	-3.0	-201.22	328.88	2.57	-198.65
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317469	0	37	-2.0	-109.19	319.42	3.40	-105.79
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317470	0	37	-2.0	-103.81	342.83	4.06	-99.75
CC1=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=CC(C(=O)[O-])=C1F	REAL300000317471	0	37	-2.0	-110.61	334.19	3.43	-107.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317472	0	37	-2.0	-99.49	324.36	3.50	-95.99
CC1=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=CC(C(=O)[O-])=C1C	REAL300000317473	0	40	-2.0	-116.17	346.16	3.95	-112.22
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000317474	0	36	-2.0	-110.35	335.93	3.88	-106.47
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000317475	0	34	-2.0	-99.62	321.11	2.91	-96.71
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000317475	1	33	-3.0	-200.77	319.93	2.16	-198.61
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000317476	0	31	-2.0	-98.73	321.93	2.44	-96.29
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000317476	1	30	-3.0	-196.47	320.75	1.70	-194.77
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C(C)=C1C(=O)[O-]	REAL300000317477	0	40	-2.0	-113.59	343.83	4.15	-109.44
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C1C(=O)[O-]	REAL300000317478	0	37	-2.0	-108.41	330.83	3.38	-105.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=C1Cl	REAL300000317479	0	37	-2.0	-107.55	341.12	3.90	-103.65
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=C1	REAL300000317480	0	37	-2.0	-117.98	334.39	3.47	-114.51
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C1C(=O)[O-]	REAL300000317481	0	40	-2.0	-113.30	343.64	3.97	-109.33
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000317482	0	34	-2.0	-102.29	330.30	3.49	-98.80
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000317482	1	33	-3.0	-199.20	329.11	2.75	-196.45
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C1CC(=O)[O-]	REAL300000317483	0	41	-2.0	-115.80	359.83	2.91	-112.89
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317484	0	37	-2.0	-102.22	335.62	3.88	-98.34
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000317485	0	37	-2.0	-96.14	339.47	3.59	-92.55
CC1=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=CC(C(=O)[O-])=C1Cl	REAL300000317486	0	37	-2.0	-109.29	340.58	3.74	-105.55
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000317487	0	34	-2.0	-104.41	330.65	3.39	-101.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=C1Br	REAL300000317488	0	37	-2.0	-107.20	343.93	4.03	-103.17
CCN1C=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C1C(=O)[O-]	REAL300000317489	0	38	-2.0	-111.67	337.37	2.99	-108.68
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C(C)=C1CC(=O)[O-]	REAL300000317490	0	46	-2.0	-114.00	374.50	5.66	-108.34
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000317491	0	34	-2.0	-98.19	331.46	3.50	-94.69
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000317491	1	33	-3.0	-196.15	330.27	2.76	-193.39
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000317492	0	34	-2.0	-98.43	334.96	3.34	-95.09
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000317492	1	33	-3.0	-197.26	333.76	2.59	-194.67
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000317493	0	38	-2.0	-98.72	354.06	3.08	-95.64
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000317493	1	37	-3.0	-196.12	352.87	2.34	-193.78
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C1C(=O)[O-]	REAL300000317494	0	37	-2.0	-104.99	339.23	3.75	-101.24
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000317495	0	43	-2.0	-107.41	359.10	4.69	-102.72
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C1C(=O)[O-]	REAL300000317496	0	38	-2.0	-111.40	349.68	3.39	-108.01
CC1=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000317497	0	37	-2.0	-99.60	325.36	3.32	-96.28
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000317498	0	39	-2.0	-105.83	350.07	4.84	-100.99
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317499	0	37	-2.0	-108.05	329.31	3.59	-104.46
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000317500	0	36	-2.0	-120.16	333.09	4.64	-115.52
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000317501	0	34	-2.0	-117.16	313.02	2.82	-114.34
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C1C(=O)[O-]	REAL300000317502	0	37	-2.0	-103.34	330.54	3.35	-99.99
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000317503	0	40	-2.0	-119.82	350.40	4.90	-114.92
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000317504	0	33	-2.0	-106.75	306.34	0.84	-105.91
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C	REAL300000317505	0	38	-2.0	-103.51	337.56	2.59	-100.92
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000317506	0	31	-2.0	-99.08	309.50	1.76	-97.32
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000317506	1	30	-3.0	-195.05	308.31	1.01	-194.04
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000317507	0	38	-2.0	-106.93	353.15	3.33	-103.60
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000317507	1	37	-3.0	-207.69	351.96	2.59	-205.10
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000317508	0	37	-2.0	-103.36	352.69	-0.18	-103.54
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000317508	1	36	-3.0	-204.52	351.50	-0.92	-205.44
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000317509	0	41	-2.0	-105.73	353.34	4.61	-101.12
CC(C)(C)C(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000317510	0	41	-2.0	-111.25	354.80	4.67	-106.58
CCC1=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C)C=C(C(=O)[O-])O1	REAL300000317511	0	37	-2.0	-104.12	331.48	2.71	-101.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)C=C1	REAL300000317515	0	46	-2.0	-112.83	387.89	6.99	-105.84
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000317518	0	42	-2.0	-103.05	373.39	7.79	-95.26
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000317521	0	42	-2.0	-104.60	365.80	7.28	-97.32
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000317523	0	39	-2.0	-101.34	352.93	6.21	-95.13
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000317526	1	43	-2.0	-105.79	366.40	6.55	-99.24
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000317528	0	42	-2.0	-97.62	368.86	6.87	-90.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=CS1	REAL300000317530	1	39	-2.0	-102.67	351.97	6.25	-96.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000317533	0	42	-2.0	-101.21	363.33	6.35	-94.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000317534	0	46	-2.0	-108.34	388.73	6.28	-102.06
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)C=C1	REAL300000317535	1	45	-2.0	-99.12	380.46	8.00	-91.12
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C=C(C(=O)[O-])S1	REAL300000317536	1	42	-2.0	-104.67	368.35	7.08	-97.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C(Cl)=C1	REAL300000317537	1	42	-2.0	-92.18	373.37	7.78	-84.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)S1	REAL300000317539	0	39	-2.0	-96.36	352.02	6.32	-90.04
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000317540	1	42	-2.0	-97.92	366.72	7.29	-90.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1F	REAL300000317541	0	45	-2.0	-105.98	386.08	7.92	-98.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C(F)=C1	REAL300000317542	0	42	-2.0	-93.89	365.78	7.29	-86.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=CC(F)=C1F	REAL300000317544	1	42	-2.0	-96.22	370.58	7.29	-88.93
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000317545	0	43	-2.0	-107.25	369.47	4.91	-102.34
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000317545	1	43	-2.0	-104.97	368.75	5.70	-99.27
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000317551	0	42	-2.0	-96.09	372.07	7.34	-88.75
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000317553	0	45	-2.0	-105.71	381.82	7.81	-97.90
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000317554	0	45	-2.0	-111.64	385.33	7.91	-103.73
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000317556	1	46	-2.0	-107.07	387.77	7.40	-99.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1F	REAL300000317559	0	42	-2.0	-111.07	363.41	7.23	-103.84
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000317561	0	41	-2.0	-104.70	356.53	5.33	-99.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)C=C1	REAL300000317562	0	46	-2.0	-99.12	387.96	6.99	-92.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)=C(Cl)O1	REAL300000317563	0	39	-2.0	-94.91	360.47	6.19	-88.72
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000317564	0	45	-2.0	-101.20	382.45	7.20	-94.00
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000317565	0	42	-2.0	-87.28	374.28	3.55	-83.73
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000317566	1	35	-2.0	-103.64	322.35	4.99	-98.65
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000317567	0	43	-2.0	-104.75	377.44	6.05	-98.70
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000317568	1	35	-2.0	-93.58	317.81	4.97	-88.61
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000317569	1	35	-2.0	-106.14	317.82	4.96	-101.18
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000317570	0	39	-2.0	-111.69	345.96	4.76	-106.93
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000317571	1	39	-2.0	-93.23	349.27	6.26	-86.97
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000317572	1	38	-2.0	-107.38	333.85	5.50	-101.88
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000317573	0	35	-2.0	-101.78	330.89	5.54	-96.24
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000317574	1	35	-2.0	-102.00	330.33	5.36	-96.64
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000317575	0	35	-2.0	-97.37	343.39	5.91	-91.46
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000317576	1	41	-2.0	-109.00	350.92	6.30	-102.70
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000317577	0	35	-2.0	-103.49	323.30	5.03	-98.46
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000317578	1	41	-2.0	-92.53	361.39	6.56	-85.97
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000317579	0	32	-2.0	-100.36	311.00	3.98	-96.38
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000317580	1	38	-2.0	-107.13	333.26	5.76	-101.37
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000317581	1	39	-2.0	-91.93	348.89	5.25	-86.68
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000317582	0	36	-2.0	-104.54	324.47	4.31	-100.23
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000317583	1	39	-2.0	-107.81	341.60	3.79	-104.02
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000317584	0	35	-2.0	-96.50	326.95	4.65	-91.85
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000317585	1	41	-2.0	-108.38	349.27	6.28	-102.10
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000317586	0	32	-2.0	-101.80	309.47	4.00	-97.80
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000317587	1	43	-2.0	-106.54	376.14	4.77	-101.77
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000317588	1	39	-2.0	-111.98	345.10	5.03	-106.95
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000317589	1	45	-2.0	-111.04	373.06	7.59	-103.45
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000317590	1	44	-2.0	-109.38	371.72	6.98	-102.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1COC	REAL300000317591	1	41	-2.0	-105.45	345.73	6.62	-98.83
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000317592	0	42	-2.0	-112.06	368.25	5.53	-106.53
COCC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000317593	0	38	-2.0	-108.06	345.43	5.47	-102.59
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000317593	1	37	-3.0	-181.18	346.23	5.53	-175.65
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000317594	1	42	-2.0	-111.40	362.06	6.86	-104.54
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000317595	0	35	-2.0	-100.13	320.83	4.10	-96.03
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000317596	1	41	-2.0	-110.94	360.00	4.74	-106.20
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000317597	0	39	-2.0	-106.93	346.81	4.05	-102.88
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000317598	1	43	-2.0	-92.54	370.74	5.57	-86.97
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000317599	1	35	-2.0	-95.71	345.49	5.81	-89.90
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000317600	0	35	-2.0	-98.47	335.42	5.55	-92.92
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000317601	1	39	-2.0	-90.45	364.92	5.79	-84.66
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000317602	1	42	-2.0	-92.41	368.98	5.96	-86.45
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000317603	1	45	-2.0	-91.31	397.56	6.22	-85.09
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000317604	1	38	-2.0	-97.67	338.53	5.78	-91.89
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000317605	1	48	-2.0	-92.61	411.41	6.89	-85.72
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000317606	1	39	-2.0	-91.41	355.11	5.31	-86.10
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2COC)C=C1C(=O)[O-]	REAL300000317607	1	42	-2.0	-112.66	366.95	5.94	-106.72
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000317608	0	35	-2.0	-103.55	326.44	4.86	-98.69
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000317609	0	35	-2.0	-95.52	346.05	5.98	-89.54
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000317610	0	35	-2.0	-91.12	330.87	5.53	-85.59
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000317611	1	35	-2.0	-93.06	322.33	5.00	-88.06
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000317612	0	32	-2.0	-95.31	310.08	4.09	-91.22
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000317613	0	35	-2.0	-97.01	324.24	5.03	-91.98
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000317614	0	38	-2.0	-104.93	343.56	5.66	-99.27
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000317615	0	39	-2.0	-95.74	358.13	5.58	-90.16
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000317616	0	35	-2.0	-93.01	323.28	5.04	-87.97
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000317617	1	35	-2.0	-91.14	330.31	5.37	-85.77
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000317618	1	38	-2.0	-99.38	347.26	6.16	-93.22
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000317619	1	43	-2.0	-90.10	381.56	6.38	-83.72
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000317620	1	35	-2.0	-95.10	328.64	5.06	-90.04
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000317621	0	37	-2.0	-91.19	346.01	5.63	-85.56
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000317622	0	36	-2.0	-106.10	327.54	2.67	-103.43
COCC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000317622	1	36	-2.0	-107.32	322.31	2.99	-104.33
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000317623	1	38	-2.0	-97.27	340.00	5.75	-91.52
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000317624	1	35	-2.0	-96.62	338.53	5.50	-91.12
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000317625	1	38	-2.0	-102.06	327.86	5.60	-96.46
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000317626	1	38	-2.0	-104.91	342.65	5.62	-99.29
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000317627	1	38	-2.0	-93.71	333.23	5.74	-87.97
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000317628	1	41	-2.0	-109.31	350.72	6.03	-103.28
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000317629	0	37	-2.0	-104.30	344.37	6.06	-98.24
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000317630	0	35	-2.0	-95.11	329.55	5.09	-90.02
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000317631	1	41	-2.0	-106.22	352.30	6.35	-99.87
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000317632	0	38	-2.0	-104.72	339.29	5.56	-99.16
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000317633	0	38	-2.0	-103.53	349.60	6.10	-97.43
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000317634	0	38	-2.0	-110.92	342.85	5.66	-105.26
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2COC)C=C1C(=O)[O-]	REAL300000317635	1	41	-2.0	-108.03	351.76	6.15	-101.88
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000317636	1	42	-2.0	-108.38	368.28	5.10	-103.28
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000317637	1	38	-2.0	-95.44	344.08	6.15	-89.29
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000317638	1	38	-2.0	-90.15	347.93	5.78	-84.37
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000317639	1	38	-2.0	-103.70	349.04	5.92	-97.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2COC)C=C1C(=O)[O-]	REAL300000317640	0	39	-2.0	-105.81	345.84	5.18	-100.63
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000317641	1	47	-2.0	-105.34	382.73	7.81	-97.53
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000317642	0	35	-2.0	-93.83	343.44	5.52	-88.31
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000317643	1	38	-2.0	-99.52	347.68	5.93	-93.59
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000317644	0	44	-2.0	-103.07	367.25	7.10	-95.97
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000317645	0	39	-2.0	-107.35	358.15	5.59	-101.76
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000317646	1	38	-2.0	-95.26	337.87	5.61	-89.65
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000317647	0	40	-2.0	-98.04	361.07	7.16	-90.88
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000317648	1	38	-2.0	-104.51	337.77	5.78	-98.73
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000317649	0	37	-2.0	-113.06	341.54	6.81	-106.25
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000317650	0	35	-2.0	-110.10	321.46	4.99	-105.11
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000317651	1	38	-2.0	-97.78	338.98	5.54	-92.24
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000317652	1	41	-2.0	-114.38	358.86	7.08	-107.30
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000317653	0	34	-2.0	-103.86	314.04	3.08	-100.78
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000317654	0	39	-2.0	-97.80	346.02	4.76	-93.04
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000317655	0	32	-2.0	-93.89	317.92	3.94	-89.95
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000317656	1	42	-2.0	-100.18	363.95	6.85	-93.33
COCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000317657	1	42	-2.0	-102.78	361.91	6.84	-95.94
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2COC)C=C(C(=O)[O-])O1	REAL300000317658	0	38	-2.0	-99.97	339.87	4.95	-95.02
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000317659	1	42	-2.0	-108.38	377.29	6.28	-102.10
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000317660	1	42	-2.0	-97.81	372.75	6.26	-91.55
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000317661	1	42	-2.0	-109.60	372.75	6.25	-103.35
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000317662	1	45	-2.0	-112.01	388.60	6.80	-105.21
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000317663	0	42	-2.0	-107.05	378.22	6.31	-100.74
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000317664	0	39	-2.0	-104.14	365.94	5.26	-98.88
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000317665	1	45	-2.0	-110.57	388.19	7.04	-103.53
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000317666	0	43	-2.0	-108.09	379.40	5.60	-102.49
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(NC(=O)C3CC3)=CC=C2C)=C1	REAL300000317667	0	42	-2.0	-100.84	381.86	5.93	-94.91
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000317668	0	39	-2.0	-106.48	364.40	5.28	-101.20
CC1=C(S(=O)(=O)[N-]C2=CC(NC(=O)C3CC3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000317669	0	42	-2.0	-103.81	375.76	5.39	-98.42
CC1=C(S(=O)(=O)[N-]C2=CC(NC(=O)C3CC3)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000317670	1	42	-2.0	-106.98	382.45	6.13	-100.85
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000317671	1	42	-2.0	-97.41	377.28	6.29	-91.12
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000317672	0	39	-2.0	-99.66	365.01	5.38	-94.28
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000317673	1	42	-2.0	-101.72	379.17	6.32	-95.40
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000317674	0	42	-2.0	-97.35	378.22	6.32	-91.03
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000317675	0	43	-2.0	-109.65	382.46	3.97	-105.68
CC1=CC=C(NC(=O)C2CC2)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000317675	1	43	-2.0	-110.62	379.66	4.78	-105.84
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000317676	1	45	-2.0	-101.14	394.93	7.03	-94.11
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000317677	1	45	-2.0	-106.51	382.58	6.89	-99.62
CCN1C=C(S(=O)(=O)[N-]C2=CC(NC(=O)C3CC3)=CC=C2C)C=C1C(=O)[O-]	REAL300000317679	0	46	-2.0	-109.43	400.70	6.45	-102.98
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000317680	1	45	-2.0	-97.88	388.82	6.80	-91.08
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000317681	0	42	-2.0	-115.01	376.38	6.27	-108.74
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000317682	0	41	-2.0	-107.20	369.72	4.31	-102.89
CC1=CC=C(NC(=O)C2CC2)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000317683	0	39	-2.0	-97.85	372.85	5.22	-92.63
CCC1=C(S(=O)(=O)[N-]C2=CC(NC(=O)C3CC3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000317684	0	45	-2.0	-103.63	394.88	6.24	-97.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)=CC=C1F	REAL300000317685	1	42	-2.0	-115.98	377.66	6.80	-109.18
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)=C1	REAL300000317687	1	42	-2.0	-118.89	373.14	6.77	-112.12
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)=C1	REAL300000317689	0	42	-2.0	-109.88	378.60	6.83	-103.05
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)=C1	REAL300000317690	0	39	-2.0	-107.50	366.31	5.78	-101.72
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CN2CCCC2=O)C=C1	REAL300000317691	1	45	-2.0	-113.44	388.56	7.55	-105.89
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)C=C1C(=O)[O-]	REAL300000317692	1	43	-2.0	-117.10	379.77	6.11	-110.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)=C1	REAL300000317693	0	42	-2.0	-108.79	382.23	6.44	-102.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)=CS1	REAL300000317694	0	39	-2.0	-114.41	364.78	5.81	-108.60
CC1=C(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000317695	0	42	-2.0	-112.97	376.13	5.90	-107.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)C=C(C(=O)[O-])S1	REAL300000317696	1	42	-2.0	-110.01	381.73	6.66	-103.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)C=C1F	REAL300000317697	1	42	-2.0	-105.06	377.66	6.81	-98.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)S1	REAL300000317698	0	39	-2.0	-102.49	365.40	5.90	-96.59
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)=C1	REAL300000317699	1	42	-2.0	-109.41	379.53	6.83	-102.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)C(F)=C1	REAL300000317700	0	42	-2.0	-105.17	378.59	6.85	-98.32
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)=C1	REAL300000317701	0	43	-2.0	-112.07	382.84	4.47	-107.60
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(CN3CCCC3=O)C=C2)=C1	REAL300000317701	1	43	-2.0	-109.92	382.03	5.28	-104.64
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)C=C1	REAL300000317702	1	45	-2.0	-110.38	395.29	7.55	-102.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CN2CCCC2=O)C=C1	REAL300000317703	1	45	-2.0	-115.27	386.95	7.51	-107.76
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)C=C1C(=O)[O-]	REAL300000317705	1	46	-2.0	-118.42	401.15	6.99	-111.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)=C1F	REAL300000317707	0	42	-2.0	-122.19	376.78	6.80	-115.39
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)=C1	REAL300000317708	0	41	-2.0	-116.58	369.33	4.88	-111.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)=C(Cl)O1	REAL300000317709	0	39	-2.0	-106.37	373.27	5.74	-100.63
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CN3CCCC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000317710	0	45	-2.0	-113.09	395.26	6.75	-106.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=CC=C1F	REAL300000317711	1	39	-2.0	-108.18	359.30	0.84	-107.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1	REAL300000317712	1	39	-2.0	-95.25	354.75	0.82	-94.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=C1	REAL300000317713	1	39	-2.0	-107.26	354.79	0.81	-106.45
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCO)C=C1	REAL300000317714	0	43	-2.0	-112.05	382.92	0.61	-111.44
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1	REAL300000317715	1	43	-2.0	-95.00	386.22	2.11	-92.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1C(=O)[O-]	REAL300000317716	1	42	-2.0	-109.33	374.86	1.46	-107.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=C1C	REAL300000317717	1	45	-2.0	-114.26	387.17	2.13	-112.13
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=C1	REAL300000317718	0	39	-2.0	-108.35	360.25	0.87	-107.48
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1	REAL300000317719	1	45	-2.0	-94.13	398.34	2.40	-91.73
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=C1	REAL300000317720	0	36	-2.0	-104.89	347.96	-0.16	-105.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCO)C=C1	REAL300000317721	1	42	-2.0	-107.88	370.21	1.60	-106.28
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1	REAL300000317722	1	43	-2.0	-93.73	385.84	1.10	-92.63
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1C(=O)[O-]	REAL300000317723	0	40	-2.0	-105.73	361.42	0.17	-105.56
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCO)C=C1	REAL300000317724	1	43	-2.0	-108.67	378.56	-0.35	-109.02
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=C1	REAL300000317725	0	39	-2.0	-97.79	363.88	0.50	-97.29
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1C(=O)[O-]	REAL300000317726	1	45	-2.0	-109.37	385.82	2.16	-107.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=CS1	REAL300000317727	0	36	-2.0	-106.64	346.42	-0.15	-106.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1C(=O)[O-]	REAL300000317728	1	43	-2.0	-112.76	382.06	0.88	-111.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCO)C=C1	REAL300000317729	1	45	-2.0	-106.48	384.94	2.54	-103.94
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C(C(=O)[O-])O1	REAL300000317730	0	39	-2.0	-101.26	357.81	-0.04	-101.30
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=C1	REAL300000317731	0	43	-2.0	-111.74	383.74	-0.10	-111.84
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCO)C=C1	REAL300000317732	1	42	-2.0	-98.81	375.48	1.64	-97.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C(C(=O)[O-])S1	REAL300000317733	0	39	-2.0	-104.55	363.40	0.72	-103.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C(Cl)=C1	REAL300000317734	0	39	-2.0	-96.14	367.82	1.37	-94.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1F	REAL300000317735	1	39	-2.0	-94.95	359.31	0.85	-94.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)S1	REAL300000317736	0	36	-2.0	-96.70	347.03	-0.06	-96.76
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=C1	REAL300000317737	1	39	-2.0	-98.34	361.18	0.88	-97.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=C1F	REAL300000317738	0	42	-2.0	-109.68	380.53	1.52	-108.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C(F)=C1	REAL300000317739	0	39	-2.0	-97.68	360.24	0.88	-96.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1Cl	REAL300000317740	1	39	-2.0	-92.92	367.28	1.21	-91.71
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=C1	REAL300000317741	0	40	-2.0	-106.64	364.49	-1.47	-108.11
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)NCCO)C=C2)=C1	REAL300000317741	1	40	-2.0	-110.58	363.71	-0.67	-111.25
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1	REAL300000317742	1	42	-2.0	-98.19	376.94	1.60	-96.59
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCO)C=C1	REAL300000317743	1	42	-2.0	-104.92	368.06	1.57	-103.35
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=CC(C(=O)[O-])=C1F	REAL300000317744	1	42	-2.0	-109.81	379.60	1.46	-108.35
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCO)C=C1	REAL300000317745	1	42	-2.0	-98.84	370.18	1.59	-97.25
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=CC(C(=O)[O-])=C1C	REAL300000317746	1	45	-2.0	-113.44	387.65	1.88	-111.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C(C)=C1C(=O)[O-]	REAL300000317747	1	45	-2.0	-107.98	388.16	2.22	-105.76
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1C(=O)[O-]	REAL300000317748	0	42	-2.0	-109.38	376.25	1.41	-107.97
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=C1	REAL300000317749	0	42	-2.0	-114.87	379.79	1.50	-113.37
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1C(=O)[O-]	REAL300000317750	1	45	-2.0	-112.24	388.71	2.00	-110.24
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1C(=O)[O-]	REAL300000317751	0	43	-2.0	-106.98	382.79	1.03	-105.95
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=CC=C1C(=O)[O-]	REAL300000317752	1	42	-2.0	-98.55	370.78	1.36	-97.19
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCO)C=C1	REAL300000317753	1	42	-2.0	-109.89	374.72	1.64	-108.25
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=CC=C1	REAL300000317754	0	39	-2.0	-111.40	358.43	0.85	-110.55
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C1C(=O)[O-]	REAL300000317755	1	42	-2.0	-99.78	379.71	1.49	-98.29
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=C1	REAL300000317756	0	38	-2.0	-108.39	350.98	-1.06	-109.45
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCO)C=C1	REAL300000317757	0	43	-2.0	-102.60	382.98	0.61	-101.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)=C(Cl)O1	REAL300000317758	0	36	-2.0	-95.27	354.92	-0.21	-95.48
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C=C2)C=C(C(=O)[O-])O1	REAL300000317759	0	42	-2.0	-101.12	376.90	0.81	-100.31
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000317760	1	40	-2.0	-92.37	372.85	3.60	-88.77
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000317761	1	33	-2.0	-108.78	320.92	5.04	-103.74
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC#N)=C1	REAL300000317762	0	41	-2.0	-109.15	376.06	6.10	-103.05
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000317763	1	33	-2.0	-99.14	316.36	5.02	-94.12
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000317764	1	33	-2.0	-111.26	316.37	5.01	-106.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC#N)=C1	REAL300000317765	0	37	-2.0	-116.14	344.56	4.81	-111.33
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000317766	1	37	-2.0	-98.40	347.84	6.31	-92.09
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000317768	0	33	-2.0	-106.26	329.44	5.59	-100.67
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000317769	1	33	-2.0	-107.12	328.89	5.41	-101.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)=C1C	REAL300000317770	1	39	-2.0	-113.64	349.05	6.37	-107.27
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000317771	0	33	-2.0	-108.06	321.85	5.08	-102.98
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000317772	1	39	-2.0	-97.45	359.96	6.59	-90.86
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000317773	0	30	-2.0	-105.74	309.56	4.03	-101.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC#N)=C1	REAL300000317774	1	36	-2.0	-111.53	331.82	5.79	-105.74
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000317775	1	37	-2.0	-97.06	347.45	5.30	-91.76
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C=C1C(=O)[O-]	REAL300000317776	0	34	-2.0	-109.68	323.02	4.37	-105.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)=C1	REAL300000317778	0	33	-2.0	-102.01	325.48	4.70	-97.31
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000317780	0	30	-2.0	-107.07	308.02	4.05	-103.02
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)=CC(C(=O)[O-])=C1OC	REAL300000317781	1	41	-2.0	-111.86	374.68	4.82	-107.04
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C=C1C(=O)[O-]	REAL300000317782	1	37	-2.0	-117.12	343.66	5.08	-112.04
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000317783	1	43	-2.0	-115.21	371.62	7.64	-107.57
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC#N)=C1	REAL300000317784	1	42	-2.0	-113.56	370.29	7.02	-106.54
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC#N)=C1	REAL300000317785	1	39	-2.0	-109.64	346.53	6.73	-102.91
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC#N)=C1	REAL300000317786	0	40	-2.0	-115.46	367.00	5.56	-109.90
N#CCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000317787	0	36	-2.0	-116.87	351.49	5.44	-111.43
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000317787	1	35	-3.0	-186.98	344.78	5.58	-181.40
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000317788	1	40	-2.0	-115.69	360.62	6.91	-108.78
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C=C(C(=O)[O-])O1	REAL300000317789	0	33	-2.0	-105.04	319.38	4.15	-100.89
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000317790	1	39	-2.0	-116.06	358.55	4.79	-111.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)=C1	REAL300000317791	0	37	-2.0	-112.50	345.37	4.10	-108.40
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000317792	1	41	-2.0	-98.29	370.01	5.62	-92.67
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000317793	0	33	-2.0	-103.06	333.96	5.61	-97.45
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000317794	1	37	-2.0	-95.59	363.48	5.84	-89.75
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)=CC=C1OCC(=O)[O-]	REAL300000317795	1	40	-2.0	-97.55	367.53	5.99	-91.56
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC#N)=C1	REAL300000317796	1	36	-2.0	-102.27	337.07	5.83	-96.44
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000317797	1	37	-2.0	-96.63	353.68	5.36	-91.27
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C=C1C(=O)[O-]	REAL300000317798	1	40	-2.0	-117.73	365.54	6.00	-111.73
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C=C(C(=O)[O-])S1	REAL300000317799	0	33	-2.0	-108.09	324.97	4.90	-103.19
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000317800	0	33	-2.0	-96.51	329.43	5.57	-90.94
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000317801	1	33	-2.0	-98.71	320.90	5.05	-93.66
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000317802	0	30	-2.0	-100.84	308.64	4.14	-96.70
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000317803	1	33	-2.0	-102.18	322.79	5.07	-97.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)=C1F	REAL300000317804	0	36	-2.0	-109.49	342.13	5.72	-103.77
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000317805	0	37	-2.0	-101.28	356.68	5.63	-95.65
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000317806	0	33	-2.0	-98.60	321.84	5.08	-93.52
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000317807	1	33	-2.0	-96.68	328.87	5.42	-91.26
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC#N)=C1	REAL300000317808	1	36	-2.0	-103.88	345.80	6.22	-97.66
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000317809	1	41	-2.0	-95.09	380.12	6.42	-88.67
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000317810	1	33	-2.0	-100.43	327.19	5.11	-95.32
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000317811	0	35	-2.0	-96.40	344.57	5.67	-90.73
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000317812	0	34	-2.0	-110.17	326.09	2.73	-107.44
N#CCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000317812	1	34	-2.0	-109.44	325.18	3.60	-105.84
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000317813	1	36	-2.0	-101.96	338.56	5.79	-96.17
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000317814	1	33	-2.0	-101.87	337.08	5.54	-96.33
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC#N)=C1	REAL300000317815	1	36	-2.0	-107.96	326.45	5.65	-102.31
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)=CC(C(=O)[O-])=C1F	REAL300000317816	1	36	-2.0	-110.19	341.21	5.66	-104.53
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC#N)=C1	REAL300000317817	1	36	-2.0	-99.17	331.79	5.78	-93.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)=CC(C(=O)[O-])=C1C	REAL300000317818	1	39	-2.0	-115.72	353.18	6.18	-109.54
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000317819	0	35	-2.0	-109.81	342.95	6.10	-103.71
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000317820	0	33	-2.0	-99.93	328.13	5.14	-94.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C(C)=C1C(=O)[O-]	REAL300000317821	1	39	-2.0	-112.78	350.88	6.22	-106.56
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C=C1C(=O)[O-]	REAL300000317822	0	36	-2.0	-111.64	345.01	5.23	-106.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)=C1Cl	REAL300000317823	0	36	-2.0	-107.97	348.14	6.15	-101.82
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)=C1	REAL300000317824	0	36	-2.0	-116.79	341.41	5.70	-111.09
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C=C1C(=O)[O-]	REAL300000317825	1	39	-2.0	-113.07	350.31	6.20	-106.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C=C1CC(=O)[O-]	REAL300000317826	1	40	-2.0	-112.25	366.85	5.13	-107.12
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(OCC#N)=C1	REAL300000317827	1	36	-2.0	-101.08	342.63	6.19	-94.89
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000317828	1	36	-2.0	-108.89	347.60	5.97	-102.92
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C=C1C(=O)[O-]	REAL300000317829	0	37	-2.0	-111.01	344.51	5.22	-105.79
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C=C1C(=O)[O-]	REAL300000317831	1	36	-2.0	-102.29	357.80	4.93	-97.36
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C=C(C(=O)[O-])S1	REAL300000317832	0	42	-2.0	-107.55	365.81	7.15	-100.40
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C=C1C(=O)[O-]	REAL300000317833	0	37	-2.0	-111.77	356.70	5.64	-106.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)=CC=C1C(=O)[O-]	REAL300000317834	1	36	-2.0	-99.27	332.38	5.56	-93.71
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000317835	0	38	-2.0	-104.31	359.64	7.21	-97.10
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC#N)=C1	REAL300000317836	1	36	-2.0	-109.32	335.92	5.86	-103.46
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000317837	0	35	-2.0	-119.05	340.10	6.87	-112.18
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000317838	0	33	-2.0	-115.99	320.03	5.05	-110.94
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C=C1C(=O)[O-]	REAL300000317839	1	36	-2.0	-104.79	343.92	5.29	-99.50
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000317840	1	39	-2.0	-119.48	357.42	7.13	-112.35
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000317841	0	32	-2.0	-107.73	313.36	3.07	-104.66
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC#N)=C1	REAL300000317842	0	37	-2.0	-103.19	344.59	4.83	-98.36
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000317843	0	30	-2.0	-99.08	316.53	3.99	-95.09
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000317844	1	40	-2.0	-105.15	362.50	6.90	-98.25
N#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000317845	1	40	-2.0	-109.64	361.81	6.90	-102.74
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC#N)=C2)C=C(C(=O)[O-])O1	REAL300000317846	0	36	-2.0	-104.78	338.51	5.00	-99.78
CC1=CC(Br)=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000317848	1	34	-2.0	-100.91	322.71	7.40	-93.51
CC1=CC(Br)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000317850	0	31	-2.0	-95.10	315.73	6.43	-88.67
CC1=CC(Br)=CC(C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000317852	1	35	-2.0	-99.47	329.36	6.74	-92.73
CC1=CC(Br)=CC(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000317853	1	31	-2.0	-96.97	315.41	6.23	-90.74
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(Br)C=C2C)C=C(C(=O)[O-])O1	REAL300000317854	0	34	-2.0	-95.50	325.40	6.52	-88.98
CC1=CC(Br)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000317855	0	31	-2.0	-90.58	314.81	6.54	-84.04
CC1=CC(Br)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000317856	1	37	-2.0	-91.36	344.23	8.20	-83.16
CC1=CC(Br)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000317860	0	33	-2.0	-98.20	318.91	5.52	-92.68
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1	REAL300000317861	1	35	-2.0	-83.00	344.74	4.16	-78.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CC=C1F	REAL300000317862	1	28	-2.0	-98.48	292.81	5.60	-92.88
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(F)=C1	REAL300000317863	0	36	-2.0	-96.01	347.89	6.67	-89.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1	REAL300000317864	1	28	-2.0	-88.70	288.26	5.58	-83.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317865	1	28	-2.0	-100.75	288.27	5.57	-95.18
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(F)=C1	REAL300000317866	0	32	-2.0	-101.84	316.41	5.37	-96.47
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1	REAL300000317867	1	32	-2.0	-88.80	319.73	6.87	-81.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000317868	1	31	-2.0	-102.97	308.34	6.21	-96.76
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317869	0	28	-2.0	-97.10	301.34	6.15	-90.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CC=C1Cl	REAL300000317870	1	28	-2.0	-96.65	300.77	5.97	-90.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C(Cl)C=C1Cl	REAL300000317871	0	28	-2.0	-92.72	313.84	6.52	-86.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1C	REAL300000317872	1	34	-2.0	-99.86	320.94	6.93	-92.93
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317873	0	28	-2.0	-98.34	293.75	5.64	-92.70
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1	REAL300000317874	1	34	-2.0	-87.91	331.85	7.16	-80.75
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317875	0	25	-2.0	-95.15	281.45	4.59	-90.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(F)=C1	REAL300000317876	1	31	-2.0	-97.86	303.70	6.36	-91.50
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1	REAL300000317877	1	32	-2.0	-87.41	319.35	5.85	-81.56
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000317878	0	29	-2.0	-99.07	294.92	4.92	-94.15
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317880	0	28	-2.0	-88.04	297.39	5.25	-82.79
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000317881	1	34	-2.0	-99.26	319.33	6.92	-92.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CS1	REAL300000317882	0	25	-2.0	-96.61	279.92	4.62	-91.99
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000317883	1	36	-2.0	-100.98	346.58	5.38	-95.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000317884	1	32	-2.0	-106.48	315.55	5.64	-100.84
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317885	1	38	-2.0	-106.20	343.52	8.19	-98.01
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(F)=C1	REAL300000317886	1	37	-2.0	-99.74	342.17	7.58	-92.16
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(F)=C1	REAL300000317887	1	34	-2.0	-101.45	318.42	7.29	-94.16
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(F)=C1	REAL300000317888	0	35	-2.0	-102.50	338.70	6.13	-96.37
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(Cl)C(F)=C2)=C1	REAL300000317889	0	31	-2.0	-105.00	323.39	6.00	-99.00
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317889	1	30	-3.0	-173.85	316.68	6.14	-167.71
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317890	1	35	-2.0	-101.64	332.53	7.48	-94.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000317891	0	28	-2.0	-95.52	291.28	4.71	-90.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CC2=C1OCCO2	REAL300000317892	1	34	-2.0	-105.29	330.43	5.35	-99.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317893	0	32	-2.0	-98.40	317.25	4.66	-93.74
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(F)=C3)C=C2C1	REAL300000317894	1	36	-2.0	-87.89	341.21	6.17	-81.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CC(Cl)=C1Cl	REAL300000317895	1	28	-2.0	-90.47	315.94	6.42	-84.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C(Cl)C=C1F	REAL300000317896	0	28	-2.0	-94.04	305.86	6.16	-87.88
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1Cl	REAL300000317897	1	32	-2.0	-86.11	335.37	6.40	-79.71
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CC=C1OCC(=O)[O-]	REAL300000317898	1	35	-2.0	-87.84	339.41	6.55	-81.29
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(F)=C1	REAL300000317899	1	31	-2.0	-88.92	308.97	6.39	-82.53
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1F	REAL300000317900	1	32	-2.0	-87.11	325.56	5.92	-81.19
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000317901	1	35	-2.0	-107.13	337.40	6.55	-100.58
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000317902	0	28	-2.0	-99.13	296.87	5.46	-93.67
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317903	0	28	-2.0	-90.85	316.49	6.59	-84.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C(Cl)=C1	REAL300000317904	0	28	-2.0	-86.31	301.32	6.14	-80.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1F	REAL300000317905	1	28	-2.0	-88.31	292.79	5.61	-82.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)S1	REAL300000317906	0	25	-2.0	-90.21	280.54	4.70	-85.51
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317907	1	28	-2.0	-91.80	294.67	5.64	-86.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1F	REAL300000317908	0	31	-2.0	-95.14	314.04	6.27	-88.87
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000317909	0	32	-2.0	-90.99	328.58	6.20	-84.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C(F)=C1	REAL300000317910	0	28	-2.0	-87.75	293.73	5.65	-82.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1Cl	REAL300000317911	1	28	-2.0	-86.27	300.77	5.98	-80.29
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(F)=C1	REAL300000317912	1	31	-2.0	-90.53	317.71	6.78	-83.75
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1	REAL300000317913	1	36	-2.0	-85.79	352.01	6.99	-78.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CC(F)=C1F	REAL300000317914	1	28	-2.0	-90.21	299.09	5.67	-84.54
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317915	0	30	-2.0	-86.10	316.46	6.24	-79.86
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317916	0	29	-2.0	-101.85	297.98	3.28	-98.57
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(Cl)C(F)=C2)=C1	REAL300000317916	1	29	-2.0	-102.15	297.15	4.08	-98.07
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1	REAL300000317917	1	31	-2.0	-92.26	310.45	6.35	-85.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CC(Cl)=C1F	REAL300000317918	1	28	-2.0	-91.57	308.98	6.11	-85.46
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(F)=C1	REAL300000317919	1	31	-2.0	-96.39	298.34	6.21	-90.18
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CC(C(=O)[O-])=C1F	REAL300000317920	1	31	-2.0	-99.64	313.12	6.23	-93.41
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(F)=C1	REAL300000317921	1	31	-2.0	-89.30	303.68	6.35	-82.95
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CC(C(=O)[O-])=C1C	REAL300000317922	1	34	-2.0	-103.49	321.16	6.64	-96.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CC=C1[N+](=O)[O-]	REAL300000317923	0	30	-2.0	-99.61	314.83	6.65	-92.96
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317924	0	28	-2.0	-90.01	300.02	5.70	-84.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000317925	1	34	-2.0	-97.95	322.75	6.97	-90.98
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000317926	0	31	-2.0	-96.06	313.58	6.27	-89.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1Cl	REAL300000317927	0	31	-2.0	-94.25	320.01	6.71	-87.54
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317928	0	31	-2.0	-101.94	313.30	6.27	-95.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000317929	1	34	-2.0	-102.29	322.51	6.75	-95.54
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1CC(=O)[O-]	REAL300000317930	1	35	-2.0	-103.02	338.73	5.71	-97.31
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(F)=C1	REAL300000317931	1	31	-2.0	-87.26	314.53	6.75	-80.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1C(F)(F)F	REAL300000317932	1	31	-2.0	-85.48	318.38	6.39	-79.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000317933	1	31	-2.0	-98.31	319.51	6.53	-91.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000317934	0	32	-2.0	-100.29	316.30	5.79	-94.50
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C(C)=C1CC(=O)[O-]	REAL300000317935	1	40	-2.0	-100.17	353.42	8.44	-91.73
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000317936	1	31	-2.0	-95.07	322.01	6.64	-88.43
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000317937	0	37	-2.0	-98.99	337.73	7.71	-91.28
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000317938	0	32	-2.0	-102.62	328.59	6.20	-96.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000317939	1	31	-2.0	-88.77	304.27	6.12	-82.65
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C([N+](=O)[O-])=C1	REAL300000317940	0	33	-2.0	-90.61	331.53	7.76	-82.85
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(F)=C1	REAL300000317941	1	31	-2.0	-95.99	307.80	6.41	-89.58
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1[N+](=O)[O-]	REAL300000317942	0	30	-2.0	-107.03	311.99	7.42	-99.61
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1F	REAL300000317943	0	28	-2.0	-101.40	291.93	5.61	-95.79
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000317944	1	31	-2.0	-93.36	313.21	6.25	-87.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=CC2=CC=CC=C21	REAL300000317945	1	34	-2.0	-108.60	329.31	7.69	-100.91
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C1	REAL300000317946	0	27	-2.0	-93.76	285.25	3.63	-90.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(F)=C1	REAL300000317947	0	32	-2.0	-89.44	316.47	5.37	-84.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)=C(Cl)O1	REAL300000317948	0	25	-2.0	-89.15	288.42	4.56	-84.59
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(F)=C3)C=C2)CC1	REAL300000317949	1	35	-2.0	-94.17	332.25	7.39	-86.78
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(F)=C3)C=C2C1	REAL300000317950	1	35	-2.0	-97.60	333.71	7.47	-90.13
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000317951	0	31	-2.0	-95.68	310.40	5.56	-90.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C3=CC=CC=C3)=C2)C=C1	REAL300000317952	1	42	-2.0	-109.81	377.43	7.03	-102.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C3=CC=CC=C3)=C2)=C1	REAL300000317953	1	42	-2.0	-122.08	377.45	7.02	-115.06
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000317954	0	43	-2.0	-120.32	384.38	6.36	-113.96
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C3=CC=CC=C3)=C2)=C1	REAL300000317955	0	41	-2.0	-108.64	373.68	5.16	-103.48
CCC1=CC(=O)NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000317957	1	43	-2.0	-106.83	385.40	6.28	-100.55
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=CC=C1F	REAL300000317958	0	31	-2.0	-105.21	322.69	2.54	-102.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1	REAL300000317959	0	31	-2.0	-95.72	318.15	2.52	-93.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000317960	0	31	-2.0	-107.32	318.16	2.51	-104.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)N=C1	REAL300000317961	0	35	-2.0	-111.22	346.30	2.32	-108.90
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1	REAL300000317962	0	35	-2.0	-94.99	349.61	3.80	-91.19
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000317963	0	34	-2.0	-108.26	334.18	3.04	-105.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1C	REAL300000317964	0	37	-2.0	-108.65	350.56	3.80	-104.85
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000317965	0	31	-2.0	-103.36	323.64	2.57	-100.79
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1	REAL300000317966	0	37	-2.0	-93.93	361.73	4.10	-89.83
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000317967	0	28	-2.0	-101.76	311.34	1.53	-100.23
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)N=C1	REAL300000317968	0	34	-2.0	-106.80	333.59	3.28	-103.52
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1	REAL300000317969	0	35	-2.0	-93.76	349.23	2.79	-90.97
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000317970	0	32	-2.0	-106.16	324.80	1.86	-104.30
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)N=C1	REAL300000317971	0	35	-2.0	-107.57	342.36	1.31	-106.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000317972	0	31	-2.0	-98.20	327.28	2.19	-96.01
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000317973	0	37	-2.0	-108.21	349.22	3.77	-104.44
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=CS1	REAL300000317974	0	28	-2.0	-103.21	309.81	1.54	-101.67
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000317975	0	35	-2.0	-113.27	345.44	2.58	-110.69
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)N=C1	REAL300000317976	0	40	-2.0	-108.70	372.06	4.48	-104.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)N=C1	REAL300000317977	0	37	-2.0	-104.82	348.31	4.03	-100.79
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)N=C1	REAL300000317978	0	38	-2.0	-112.68	368.59	3.08	-109.60
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000317979	0	33	-3.0	-182.51	346.57	3.07	-179.44
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000317980	0	38	-2.0	-110.75	362.41	4.39	-106.36
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C(C(=O)[O-])O1	REAL300000317981	0	31	-2.0	-100.85	321.18	1.65	-99.20
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000317982	0	35	-2.0	-108.70	347.15	1.60	-107.10
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=CC=C1OCC(=O)[O-]	REAL300000317983	0	38	-2.0	-94.16	369.30	3.50	-90.66
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)N=C1	REAL300000317984	0	34	-2.0	-98.13	338.87	3.31	-94.82
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000317985	0	38	-2.0	-113.91	367.29	3.48	-110.43
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C(C(=O)[O-])S1	REAL300000317986	0	31	-2.0	-103.72	326.76	2.41	-101.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C(Cl)=C1	REAL300000317987	0	31	-2.0	-93.39	331.21	3.06	-90.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1F	REAL300000317988	0	31	-2.0	-95.51	322.69	2.55	-92.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)S1	REAL300000317989	0	28	-2.0	-96.98	310.43	1.64	-95.34
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000317990	0	31	-2.0	-98.52	324.56	2.58	-95.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1F	REAL300000317991	0	34	-2.0	-104.76	343.92	3.21	-101.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C(F)=C1	REAL300000317992	0	31	-2.0	-95.04	323.62	2.58	-92.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1Cl	REAL300000317993	0	31	-2.0	-93.35	330.66	2.91	-90.44
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000317994	0	32	-2.0	-105.06	327.88	0.23	-104.83
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000317994	1	31	-3.0	-202.00	324.31	1.11	-200.89
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1	REAL300000317995	0	34	-2.0	-97.95	340.33	3.29	-94.66
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)N=C1	REAL300000317996	0	34	-2.0	-104.76	328.23	3.13	-101.63
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=CC(C(=O)[O-])=C1F	REAL300000317997	0	34	-2.0	-106.50	342.99	3.16	-103.34
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)N=C1	REAL300000317998	0	34	-2.0	-95.67	333.57	3.26	-92.41
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=CC(C(=O)[O-])=C1C	REAL300000317999	0	37	-2.0	-111.70	354.96	3.68	-108.02
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000318000	0	31	-2.0	-95.67	329.92	2.63	-93.04
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C(C)=C1C(=O)[O-]	REAL300000318001	0	37	-2.0	-108.90	352.64	3.88	-105.02
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000318002	0	34	-2.0	-104.37	339.64	3.11	-101.26
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000318003	0	34	-2.0	-113.10	343.19	3.20	-109.90
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000318004	0	37	-2.0	-108.93	352.10	3.69	-105.24
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1CC(=O)[O-]	REAL300000318005	0	38	-2.0	-107.91	368.63	2.64	-105.27
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000318006	0	35	-2.0	-107.39	346.19	2.73	-104.66
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=CC=C1C(=O)[O-]	REAL300000318007	0	34	-2.0	-95.70	334.17	3.05	-92.65
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)N=C1	REAL300000318008	0	34	-2.0	-104.61	338.11	3.32	-101.29
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=CC=C1	REAL300000318009	0	31	-2.0	-112.45	321.78	2.53	-109.92
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000318010	0	34	-2.0	-100.38	343.10	3.19	-97.19
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000318011	0	30	-2.0	-104.80	314.38	0.64	-104.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)N=C1	REAL300000318012	0	35	-2.0	-99.48	346.36	2.32	-97.16
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)=C(Cl)O1	REAL300000318013	0	28	-2.0	-95.31	318.31	1.48	-93.83
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3=CC=C(Cl)N=C3)C=C2)CC1	REAL300000318014	0	38	-2.0	-101.26	364.29	4.40	-96.86
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)C3=CC=C(Cl)N=C3)C=C2C1	REAL300000318015	0	38	-2.0	-106.39	363.60	4.40	-101.99
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)N=C2)C=C(C(=O)[O-])O1	REAL300000318016	0	34	-2.0	-100.49	340.28	2.44	-98.05
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000318017	0	36	-2.0	-107.66	340.16	4.52	-103.14
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000318018	0	36	-2.0	-98.04	335.59	4.50	-93.54
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000318019	0	36	-2.0	-110.11	335.61	4.49	-105.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC(C)=NO1	REAL300000318020	0	40	-2.0	-113.60	363.76	4.29	-109.31
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000318021	0	40	-2.0	-96.40	367.06	5.79	-90.61
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000318022	0	39	-2.0	-111.33	351.63	5.02	-106.31
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000318023	0	36	-2.0	-104.24	348.69	5.05	-99.19
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000318024	0	36	-2.0	-105.97	348.13	4.89	-101.08
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000318025	0	42	-2.0	-110.89	368.72	5.83	-105.06
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000318026	0	36	-2.0	-106.29	341.08	4.55	-101.74
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000318027	0	42	-2.0	-95.37	379.18	6.08	-89.29
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000318028	0	33	-2.0	-104.65	328.80	3.51	-101.14
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000318029	0	39	-2.0	-108.93	351.05	5.28	-103.65
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000318030	0	40	-2.0	-95.18	366.68	4.78	-90.40
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000318031	0	37	-2.0	-108.63	342.26	3.85	-104.78
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000318032	1	40	-2.0	-109.46	359.40	3.33	-106.13
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300000318033	0	36	-2.0	-101.04	344.72	4.18	-96.86
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000318034	0	42	-2.0	-111.54	371.06	5.92	-105.62
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000318035	0	33	-2.0	-105.92	327.26	3.52	-102.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC(C)=NO2)C=C1C(=O)[O-]	REAL300000318036	0	40	-2.0	-115.91	362.90	4.56	-111.35
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC(C)=NO1	REAL300000318037	0	42	-2.0	-106.53	360.97	6.00	-100.53
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000318038	0	43	-2.0	-113.27	379.86	6.39	-106.88
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300000318039	0	36	-2.0	-103.26	338.62	3.64	-99.62
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=N1	REAL300000318040	0	40	-2.0	-111.63	364.58	3.58	-108.05
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000318041	0	39	-2.0	-100.34	356.32	5.32	-95.02
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300000318042	0	36	-2.0	-105.82	345.31	4.38	-101.44
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000318043	0	36	-2.0	-95.49	348.66	5.05	-90.44
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000318044	0	36	-2.0	-97.63	340.15	4.53	-93.10
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000318045	0	33	-2.0	-99.88	327.88	3.61	-96.27
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000318046	0	36	-2.0	-101.27	342.03	4.56	-96.71
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000318047	0	39	-2.0	-107.84	361.37	5.20	-102.64
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000318048	0	36	-2.0	-97.73	341.08	4.56	-93.17
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000318049	0	36	-2.0	-95.61	348.12	4.89	-90.72
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000318050	0	36	-2.0	-99.60	346.44	4.59	-95.01
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000318051	0	37	-2.0	-107.17	345.33	2.19	-104.98
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000318052	0	39	-2.0	-100.06	357.78	5.28	-94.78
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000318053	0	39	-2.0	-107.77	345.65	5.13	-102.64
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000318054	0	39	-2.0	-109.20	360.46	5.14	-104.06
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000318055	0	39	-2.0	-97.74	351.02	5.26	-92.48
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000318056	0	42	-2.0	-113.34	368.51	5.56	-107.78
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000318057	0	36	-2.0	-98.68	347.35	4.62	-94.06
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000318058	0	42	-2.0	-112.29	369.14	5.89	-106.40
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000318059	0	39	-2.0	-108.59	360.93	5.19	-103.40
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=N1	REAL300000318060	0	39	-2.0	-116.76	360.63	5.18	-111.58
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC(C)=NO2)C=C1C(=O)[O-]	REAL300000318061	0	42	-2.0	-111.92	369.94	5.68	-106.24
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC(C)=NO2)C=C1C(=O)[O-]	REAL300000318062	0	40	-2.0	-110.01	363.64	4.71	-105.30
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000318063	0	39	-2.0	-98.20	351.62	5.04	-93.16
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000318064	0	39	-2.0	-106.73	355.14	5.33	-101.40
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000318065	0	36	-2.0	-115.88	339.25	4.52	-111.36
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000318066	0	39	-2.0	-103.10	360.57	5.17	-97.93
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000318067	0	35	-2.0	-108.09	331.83	2.61	-105.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC(C)=NO1	REAL300000318068	0	40	-2.0	-101.70	363.82	4.29	-97.41
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000318069	0	33	-2.0	-98.00	335.72	3.47	-94.53
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000318070	0	43	-2.0	-103.14	381.74	6.38	-96.76
CC1=NOC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000318071	0	43	-2.0	-108.63	379.70	6.35	-102.28
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC(C)=NO2)C=C(C(=O)[O-])O1	REAL300000318072	0	39	-2.0	-102.29	353.87	4.35	-97.94
NC(=O)C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000318103	0	40	-2.0	-107.54	346.24	3.01	-104.53
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318123	0	38	-2.0	-111.78	346.42	3.63	-108.15
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318124	0	35	-2.0	-111.65	330.98	2.86	-108.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)C(O)=C1	REAL300000318125	0	34	-2.0	-107.40	312.11	2.06	-105.34
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C(O)=C1	REAL300000318127	0	29	-2.0	-115.87	284.70	2.49	-113.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C(O)=C1	REAL300000318128	0	31	-3.0	-159.73	309.65	1.92	-157.81
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C(O)=C1	REAL300000318128	1	32	-2.0	-101.16	309.56	1.85	-99.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C(O)=C1	REAL300000318129	0	28	-2.0	-99.65	288.06	0.84	-98.81
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318130	0	30	-2.0	-106.26	297.03	2.60	-103.66
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318131	0	30	-2.0	-101.93	297.01	2.60	-99.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C(O)=C1	REAL300000318132	0	29	-2.0	-104.88	298.42	2.79	-102.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)C(O)=C1	REAL300000318133	0	32	-2.0	-104.06	318.81	4.10	-99.96
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1Br	REAL300000318134	0	32	-2.0	-103.37	315.69	3.39	-99.98
CC1=CC=CC(OC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C2)=C1	REAL300000318135	0	43	-2.0	-106.85	386.32	5.72	-101.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C(O)=C1	REAL300000318136	0	29	-2.0	-109.25	292.68	2.91	-106.34
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1NC(C)=O	REAL300000318137	0	40	-2.0	-121.14	359.98	0.53	-120.61
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C(O)=C1	REAL300000318138	0	33	-2.0	-101.43	322.17	2.00	-99.43
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318139	0	38	-3.0	-155.36	361.13	1.35	-154.01
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318139	1	39	-2.0	-97.33	360.98	1.29	-96.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000318140	0	31	-3.0	-172.62	309.19	2.79	-169.83
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000318140	1	32	-2.0	-120.27	309.07	2.73	-117.54
CC1=C(C)C(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=C1C	REAL300000318141	1	44	-2.0	-112.04	353.30	5.38	-106.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C(O)=C1	REAL300000318142	0	38	-2.0	-107.59	339.02	2.15	-105.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1[N+](=O)[O-]	REAL300000318143	0	34	-2.0	-106.47	320.40	3.40	-103.07
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318144	0	39	-3.0	-173.54	364.27	3.85	-169.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C(O)=C1	REAL300000318145	0	26	-2.0	-101.55	289.81	1.93	-99.62
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1Cl	REAL300000318146	0	35	-2.0	-105.57	335.92	4.71	-100.86
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318147	1	47	-2.0	-108.33	382.53	6.20	-102.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C(O)=C1	REAL300000318148	0	45	-2.0	-107.64	378.05	6.02	-101.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C(O)=C1	REAL300000318149	0	32	-2.0	-101.12	314.92	3.21	-97.91
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)C(O)=C1	REAL300000318150	0	39	-2.0	-110.42	338.92	4.70	-105.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318151	0	31	-3.0	-160.43	304.64	2.77	-157.66
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318151	1	32	-2.0	-102.87	304.50	2.71	-100.16
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318152	0	37	-2.0	-116.84	333.93	1.28	-115.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300000318153	0	37	-2.0	-107.17	334.92	1.41	-105.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)C(O)=C1	REAL300000318154	0	36	-2.0	-110.41	321.72	4.12	-106.29
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318155	0	31	-2.0	-98.76	291.12	1.13	-97.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C(O)=C1	REAL300000318156	0	29	-2.0	-99.98	308.10	3.18	-96.80
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318157	0	31	-3.0	-173.95	304.66	2.76	-171.19
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318157	1	32	-2.0	-98.64	304.62	2.70	-95.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C(O)=C1	REAL300000318158	0	29	-2.0	-99.15	288.89	2.33	-96.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C(O)=C1	REAL300000318159	0	29	-2.0	-105.46	306.05	3.29	-102.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C(O)=C1	REAL300000318160	0	32	-2.0	-105.40	314.92	3.21	-102.19
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318161	0	32	-2.0	-109.61	297.60	2.87	-106.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(O)=C1	REAL300000318163	0	32	-2.0	-111.48	302.07	3.59	-107.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C(O)=C1	REAL300000318164	0	32	-2.0	-99.43	328.09	3.63	-95.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C(O)=C1	REAL300000318165	0	29	-2.0	-105.31	292.92	2.73	-102.58
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)C(O)=C1	REAL300000318166	0	32	-2.0	-104.73	328.39	3.79	-100.94
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318167	0	34	-2.0	-107.77	316.66	2.60	-105.17
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318168	0	35	-2.0	-109.57	313.09	3.64	-105.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300000318169	0	35	-2.0	-110.42	314.61	3.41	-107.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C(O)=C1	REAL300000318170	0	29	-2.0	-99.35	298.78	2.77	-96.58
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318171	0	34	-2.0	-117.76	316.68	2.59	-115.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=C1	REAL300000318172	0	35	-2.0	-109.30	313.09	3.64	-105.66
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318173	0	35	-2.0	-121.04	321.43	3.59	-117.45
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318174	0	38	-2.0	-103.54	352.83	3.80	-99.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C(O)=C1	REAL300000318175	0	29	-2.0	-107.43	304.52	3.23	-104.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1[N+](=O)[O-]	REAL300000318176	0	35	-2.0	-107.03	331.71	2.95	-104.08
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318177	0	41	-2.0	-108.27	352.42	4.53	-103.74
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318178	0	38	-2.0	-108.23	336.44	4.14	-104.09
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318179	0	41	-2.0	-108.02	354.88	4.80	-103.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318180	0	35	-3.0	-179.89	332.80	2.56	-177.33
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318181	0	35	-3.0	-160.98	336.11	4.06	-156.92
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318181	1	36	-2.0	-101.71	335.96	3.99	-97.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C(O)=C1	REAL300000318182	0	29	-2.0	-110.07	299.80	3.52	-106.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C(O)=C1	REAL300000318183	0	26	-2.0	-101.42	285.17	1.82	-99.60
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318184	0	38	-2.0	-108.16	340.59	4.43	-103.73
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318185	0	33	-2.0	-115.52	304.45	2.00	-113.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318186	0	34	-3.0	-175.40	320.67	3.30	-172.10
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318186	1	35	-2.0	-118.84	320.45	3.23	-115.61
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318187	0	40	-2.0	-115.70	360.82	0.87	-114.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C(O)=C1	REAL300000318188	0	29	-2.0	-103.59	294.25	2.39	-101.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C(O)=C1	REAL300000318189	0	29	-2.0	-100.43	309.66	3.24	-97.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C(O)=C1	REAL300000318190	0	29	-2.0	-109.86	289.33	2.77	-107.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C(O)=C1	REAL300000318191	0	29	-2.0	-105.22	297.49	2.83	-102.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C(O)=C1	REAL300000318192	0	31	-2.0	-105.63	304.41	2.88	-102.75
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318193	0	34	-2.0	-105.54	319.91	3.65	-101.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C(O)=C1	REAL300000318194	0	31	-2.0	-100.84	316.86	3.26	-97.58
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318195	0	33	-2.0	-106.90	305.68	1.50	-105.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(O)=C1	REAL300000318196	0	31	-2.0	-119.34	297.28	3.62	-115.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318197	0	32	-2.0	-108.99	297.60	2.88	-106.11
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318198	0	36	-2.0	-106.41	327.55	2.43	-103.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C(O)=C1	REAL300000318199	0	29	-2.0	-104.32	288.10	2.34	-101.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C(O)=C1	REAL300000318200	0	29	-2.0	-105.43	282.60	2.27	-103.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C(O)=C1	REAL300000318201	0	29	-2.0	-99.76	289.01	2.34	-97.42
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1C	REAL300000318202	0	41	-2.0	-109.65	340.28	4.96	-104.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C(O)=C1	REAL300000318203	0	35	-2.0	-108.85	320.68	1.36	-107.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=C1	REAL300000318204	1	38	-2.0	-108.98	327.74	4.55	-104.43
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318205	0	44	-2.0	-110.62	367.89	5.30	-105.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C(O)=C1	REAL300000318206	0	29	-2.0	-102.48	292.93	2.73	-99.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C(O)=C1	REAL300000318207	0	29	-2.0	-102.33	297.50	2.83	-99.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(O)=C1	REAL300000318208	0	31	-2.0	-97.75	304.42	2.88	-94.87
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318209	0	36	-2.0	-114.50	332.58	1.08	-113.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318210	0	29	-2.0	-107.87	290.02	2.00	-105.87
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318211	0	45	-2.0	-113.24	391.35	3.14	-110.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1C	REAL300000318212	0	37	-3.0	-178.40	337.76	4.09	-174.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)=C1C	REAL300000318212	1	38	-2.0	-117.08	338.57	4.12	-112.96
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318213	0	33	-2.0	-108.77	321.18	2.52	-106.25
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318214	0	32	-2.0	-105.38	312.98	3.60	-101.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(O)=C1	REAL300000318215	0	31	-3.0	-171.33	310.13	2.83	-168.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C(O)=C1	REAL300000318216	0	26	-2.0	-100.62	299.04	2.36	-98.26
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318217	0	44	-2.0	-108.06	379.65	5.71	-102.35
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318218	0	34	-2.0	-104.72	314.43	3.47	-101.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C(O)=C1	REAL300000318219	0	29	-2.0	-107.94	288.10	2.34	-105.60
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318220	0	37	-3.0	-160.32	348.23	4.35	-155.97
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318220	1	38	-2.0	-100.21	348.15	4.29	-95.92
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318221	0	39	-2.0	-114.29	352.87	1.91	-112.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C(O)=C1	REAL300000318222	0	33	-2.0	-105.09	311.95	-0.98	-106.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C(O)=C1	REAL300000318223	0	36	-2.0	-106.41	347.12	2.89	-103.52
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318224	0	33	-2.0	-106.69	316.39	3.23	-103.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C(O)=C1	REAL300000318225	0	34	-2.0	-105.81	318.24	0.66	-105.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C(O)=C1	REAL300000318226	0	37	-2.0	-106.92	336.02	1.39	-105.53
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1OCC	REAL300000318227	0	43	-2.0	-107.18	378.63	3.25	-103.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C(O)=C1	REAL300000318228	1	34	-2.0	-106.96	324.47	2.39	-104.57
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318229	0	28	-3.0	-167.14	297.84	1.79	-165.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C(O)=C1	REAL300000318230	0	32	-2.0	-104.88	307.94	-0.29	-105.17
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318231	0	34	-3.0	-174.71	320.09	3.55	-171.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1O	REAL300000318231	1	35	-2.0	-115.90	321.13	3.59	-112.31
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318232	0	35	-2.0	-107.06	312.89	1.25	-105.81
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318233	0	37	-2.0	-112.78	352.80	-1.62	-114.40
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1C	REAL300000318234	0	37	-2.0	-106.09	337.62	4.21	-101.88
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C2CC1C	REAL300000318235	0	43	-2.0	-116.66	371.33	3.81	-112.85
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318236	0	35	-2.0	-103.85	330.97	2.87	-100.98
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318237	0	36	-2.0	-108.40	332.62	0.48	-107.92
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318238	0	34	-2.0	-108.96	330.37	-2.83	-111.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C(O)=C1	REAL300000318239	0	33	-2.0	-104.83	331.46	2.34	-102.49
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)C(O)=C1	REAL300000318240	0	40	-2.0	-114.96	353.99	3.32	-111.64
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300000318241	0	43	-2.0	-119.19	368.86	3.80	-115.39
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318242	0	38	-2.0	-118.31	348.31	3.88	-114.43
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318243	0	33	-2.0	-107.89	310.71	-1.01	-108.90
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300000318244	0	40	-2.0	-116.41	355.44	3.26	-113.15
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318245	0	35	-2.0	-108.52	319.09	3.65	-104.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(O)=C1	REAL300000318246	0	35	-2.0	-111.43	322.14	4.49	-106.94
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=CS1	REAL300000318247	0	32	-2.0	-117.47	315.77	2.52	-114.95
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318248	0	39	-2.0	-107.59	352.76	2.72	-104.87
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=C1	REAL300000318249	1	39	-2.0	-106.90	335.77	3.17	-103.73
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318250	0	35	-3.0	-159.59	335.74	3.05	-156.54
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318250	1	36	-2.0	-101.61	335.63	2.99	-98.62
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300000318251	0	43	-2.0	-109.23	381.25	2.44	-106.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C(O)=C1	REAL300000318252	0	40	-2.0	-110.08	360.43	6.33	-103.75
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318253	0	41	-2.0	-108.49	357.40	4.89	-103.60
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C(O)=C1	REAL300000318254	0	29	-2.0	-101.94	282.61	2.27	-99.67
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C(O)=C1	REAL300000318255	0	29	-2.0	-112.63	281.69	2.27	-110.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C3NC(=O)CC3=C2)C(O)=C1	REAL300000318257	0	34	-2.0	-105.86	331.32	1.21	-104.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C(O)=C1	REAL300000318258	0	34	-2.0	-105.08	318.57	2.71	-102.37
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318259	0	35	-2.0	-121.44	329.07	0.80	-120.64
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=C2N=C1	REAL300000318260	0	37	-2.0	-124.64	337.53	3.48	-121.16
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318261	0	39	-2.0	-105.90	349.04	3.23	-102.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(Cl)=C1	REAL300000318262	0	32	-2.0	-109.61	310.74	3.44	-106.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C(O)=C1	REAL300000318263	0	33	-2.0	-110.74	320.95	2.48	-108.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C(O)=C1	REAL300000318264	0	35	-2.0	-105.67	326.93	-0.56	-106.23
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318265	0	34	-2.0	-112.24	330.43	-2.84	-115.08
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300000318266	0	37	-2.0	-106.01	339.02	2.64	-103.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C([N+](=O)[O-])=C1	REAL300000318267	0	35	-2.0	-114.92	326.74	2.92	-112.00
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C2C1=O	REAL300000318268	0	36	-2.0	-102.74	342.03	1.47	-101.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C(O)=C1	REAL300000318269	0	34	-2.0	-103.12	323.89	3.71	-99.41
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300000318270	0	35	-2.0	-105.48	330.33	2.16	-103.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C(O)=C1	REAL300000318271	0	33	-2.0	-103.11	322.18	2.00	-101.11
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318272	0	35	-2.0	-113.03	336.89	-0.27	-113.30
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318273	0	32	-2.0	-102.12	298.08	3.04	-99.08
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318274	0	37	-2.0	-108.57	352.81	-1.62	-110.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C(O)=C1	REAL300000318275	0	39	-2.0	-111.95	346.03	6.07	-105.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C(O)=C1	REAL300000318276	0	29	-2.0	-102.10	295.72	2.84	-99.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C(O)=C1	REAL300000318277	0	41	-2.0	-114.76	362.12	1.55	-113.21
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(F)=C1	REAL300000318278	0	36	-2.0	-118.56	338.05	1.15	-117.41
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318279	0	35	-2.0	-115.86	336.89	-0.27	-116.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)C(O)=C1	REAL300000318280	0	38	-2.0	-109.19	350.39	4.90	-104.29
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300000318282	0	37	-2.0	-108.75	340.40	1.48	-107.27
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300000318283	0	40	-2.0	-107.44	350.36	2.16	-105.28
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318284	0	32	-3.0	-173.16	311.30	2.12	-171.04
CN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318284	1	33	-2.0	-99.46	312.96	2.12	-97.34
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1Cl	REAL300000318285	0	29	-2.0	-115.10	293.66	1.77	-113.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(Br)=C1	REAL300000318286	0	32	-2.0	-109.02	314.09	3.58	-105.44
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(N)=O	REAL300000318287	0	34	-2.0	-106.96	318.14	-1.63	-108.59
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1O	REAL300000318288	0	36	-2.0	-115.08	326.83	1.17	-113.91
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318288	1	35	-3.0	-174.89	328.86	1.58	-173.31
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318289	0	35	-2.0	-111.11	344.05	3.42	-107.69
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318290	0	40	-2.0	-108.59	361.17	1.70	-106.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300000318291	0	33	-2.0	-104.99	321.71	2.06	-102.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318292	0	33	-2.0	-104.79	311.90	1.58	-103.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300000318293	0	36	-2.0	-107.80	325.77	2.25	-105.55
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300000318294	0	39	-2.0	-107.37	347.63	3.17	-104.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(N)=O	REAL300000318295	0	36	-2.0	-103.88	326.78	-0.34	-104.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(N)=O	REAL300000318296	0	37	-2.0	-105.71	338.01	-0.42	-106.13
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318297	0	34	-2.0	-97.88	319.90	3.65	-94.23
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CN1C	REAL300000318298	0	37	-2.0	-107.42	340.07	-0.14	-107.56
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318299	0	32	-2.0	-105.42	308.41	3.50	-101.92
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318300	0	42	-2.0	-106.02	369.15	3.93	-102.09
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=N2)C=C1	REAL300000318301	0	39	-2.0	-106.70	358.16	4.00	-102.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)C(O)=C1	REAL300000318302	0	36	-2.0	-102.15	335.71	2.61	-99.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C(O)=C1	REAL300000318303	0	40	-2.0	-107.90	351.68	2.34	-105.56
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300000318304	0	39	-2.0	-107.36	349.77	3.09	-104.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)C(O)=C1	REAL300000318305	0	37	-2.0	-108.10	339.73	2.07	-106.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318306	0	31	-3.0	-162.98	313.76	2.45	-160.53
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300000318307	0	30	-2.0	-99.20	312.41	3.01	-96.19
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1Cl	REAL300000318308	0	30	-2.0	-99.36	312.42	3.01	-96.35
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318309	0	37	-3.0	-178.07	336.10	4.07	-174.00
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318309	1	38	-2.0	-115.89	337.12	4.12	-111.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C(O)=C1	REAL300000318310	0	33	-2.0	-113.03	314.55	2.58	-110.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C2=CC=CN=C12	REAL300000318311	0	38	-2.0	-110.98	341.50	2.00	-108.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300000318312	0	32	-2.0	-106.30	311.66	3.32	-102.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C(O)=C1	REAL300000318313	0	29	-2.0	-110.05	297.86	2.77	-107.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1OC(C)C	REAL300000318314	0	42	-2.0	-107.42	365.53	3.80	-103.62
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318315	0	35	-2.0	-103.27	332.66	2.67	-100.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C2=CC=CC=C12	REAL300000318316	0	39	-2.0	-114.13	345.56	3.87	-110.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318317	0	32	-2.0	-106.15	302.91	2.91	-103.24
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318318	0	32	-2.0	-102.86	308.41	3.49	-99.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C(O)=C1	REAL300000318319	0	29	-2.0	-102.07	316.52	4.02	-98.05
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318320	0	32	-2.0	-113.14	303.10	2.93	-110.21
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318321	0	32	-2.0	-105.54	298.08	3.04	-102.50
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318322	0	34	-2.0	-122.43	309.82	4.46	-117.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)C(O)=C1	REAL300000318323	0	37	-2.0	-109.39	341.50	1.45	-107.94
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C(F)(F)F)=C1	REAL300000318324	0	33	-2.0	-103.57	322.78	4.00	-99.57
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318325	0	39	-2.0	-117.89	347.99	2.06	-115.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C(O)=C1	REAL300000318326	0	43	-2.0	-106.08	370.84	4.43	-101.65
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318327	0	45	-2.0	-105.57	388.11	4.53	-101.04
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318328	0	39	-2.0	-110.00	362.05	3.13	-106.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CS1	REAL300000318329	0	28	-3.0	-169.06	296.31	1.81	-167.25
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1Cl	REAL300000318330	0	32	-2.0	-110.70	318.53	4.10	-106.60
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC(C(=O)[O-])=C1OC	REAL300000318331	0	39	-3.0	-175.58	362.96	2.57	-173.01
COC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)=CC(C(=O)[O-])=C1OC	REAL300000318331	1	40	-2.0	-104.27	362.87	2.52	-101.75
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318332	0	38	-2.0	-115.96	352.38	0.50	-115.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318333	0	35	-3.0	-181.86	331.94	2.83	-179.03
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318333	1	36	-2.0	-103.66	331.79	2.77	-100.89
COC(=O)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318334	0	42	-2.0	-109.60	383.01	3.28	-106.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CS2)C(O)=C1	REAL300000318335	0	26	-2.0	-106.59	288.50	1.77	-104.82
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1O	REAL300000318336	0	36	-2.0	-105.30	339.79	0.90	-104.40
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318337	0	42	-2.0	-116.77	379.60	2.01	-114.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C(O)=C1	REAL300000318338	0	31	-2.0	-113.98	303.68	3.69	-110.29
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318339	0	43	-2.0	-118.76	386.65	1.00	-117.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(O)=C1	REAL300000318340	0	41	-3.0	-179.28	359.90	5.39	-173.89
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(O)=C1	REAL300000318340	1	42	-2.0	-115.22	358.23	4.95	-110.27
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318341	0	40	-3.0	-177.79	358.56	4.78	-173.01
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1O	REAL300000318341	1	41	-2.0	-113.61	357.33	4.35	-109.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C(O)=C1	REAL300000318342	0	39	-2.0	-109.12	350.37	5.62	-103.50
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318343	0	38	-2.0	-116.80	356.22	0.72	-116.08
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318344	0	40	-2.0	-117.42	366.94	1.87	-115.55
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=C1	REAL300000318345	1	36	-2.0	-107.02	321.15	2.28	-104.74
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300000318346	1	39	-2.0	-107.74	341.22	3.00	-104.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)C(O)=C1	REAL300000318347	0	40	-2.0	-118.05	364.24	2.18	-115.87
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318348	0	33	-2.0	-111.69	307.38	0.57	-111.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318349	0	37	-3.0	-175.48	334.78	4.49	-170.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1O	REAL300000318349	1	38	-2.0	-113.93	333.24	3.84	-110.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C(O)=C1	REAL300000318350	0	32	-2.0	-111.38	315.72	3.12	-108.26
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O)=C2	REAL300000318351	0	42	-2.0	-114.52	376.01	6.04	-108.48
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318352	0	38	-3.0	-181.90	355.09	3.33	-178.57
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000318353	0	33	-4.0	-255.47	333.06	3.33	-252.14
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000318353	1	34	-3.0	-183.02	332.96	3.25	-179.77
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318354	0	32	-2.0	-101.96	324.07	1.97	-99.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(O)=C1	REAL300000318355	0	38	-3.0	-180.91	348.90	4.67	-176.24
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(O)=C1	REAL300000318355	1	39	-2.0	-118.49	347.73	4.23	-114.26
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1F	REAL300000318356	0	35	-2.0	-110.63	341.30	-0.25	-110.88
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300000318357	0	37	-2.0	-118.68	336.41	4.84	-113.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C(O)=C1	REAL300000318358	0	33	-2.0	-101.45	314.00	2.59	-98.86
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C(O)=C1	REAL300000318359	0	29	-2.0	-105.90	291.10	2.56	-103.34
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318360	0	39	-2.0	-115.56	372.00	1.14	-114.42
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318361	0	39	-2.0	-106.71	369.69	1.19	-105.52
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C(C(=O)[O-])O1	REAL300000318362	0	31	-3.0	-167.31	307.66	1.91	-165.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C(O)=C1	REAL300000318363	0	32	-2.0	-128.91	304.39	1.40	-127.51
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318364	0	35	-2.0	-113.39	336.45	2.91	-110.48
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318365	0	39	-2.0	-117.11	347.72	3.59	-113.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C(O)=C1	REAL300000318366	0	32	-2.0	-98.92	320.51	3.27	-95.65
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318367	0	45	-2.0	-107.77	388.42	3.97	-103.80
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318368	0	45	-2.0	-105.63	392.04	4.79	-100.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C(O)=C1	REAL300000318369	0	31	-2.0	-120.69	309.91	4.36	-116.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C(O)=C1	REAL300000318370	0	34	-2.0	-119.44	324.53	2.38	-117.06
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C2=CC=CC=C12	REAL300000318371	0	42	-2.0	-113.60	367.41	4.80	-108.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(O)=C1	REAL300000318372	0	37	-3.0	-179.24	346.83	2.54	-176.70
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(O)=C1	REAL300000318372	1	38	-2.0	-107.32	346.71	2.47	-104.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C(O)=C1	REAL300000318373	0	33	-2.0	-102.43	332.57	3.67	-98.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C(O)=C1	REAL300000318374	0	28	-2.0	-99.88	292.51	1.01	-98.87
CS(=O)(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318375	1	37	-2.0	-110.98	349.75	-1.09	-112.07
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318376	0	43	-2.0	-108.65	383.03	2.67	-105.98
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318377	0	35	-2.0	-117.46	342.40	-0.21	-117.67
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C(O)=C1	REAL300000318378	0	31	-2.0	-124.20	302.21	3.83	-120.37
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318379	0	35	-3.0	-175.84	333.57	1.86	-173.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C(O)=C1	REAL300000318380	0	39	-3.0	-160.83	357.57	3.37	-157.46
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C(O)=C1	REAL300000318380	1	40	-2.0	-96.57	357.57	3.31	-93.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C(O)=C1	REAL300000318381	0	36	-2.0	-107.09	336.76	3.32	-103.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C(O)=C1	REAL300000318382	0	39	-2.0	-106.40	362.18	3.77	-102.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C(O)=C1	REAL300000318383	0	43	-2.0	-107.36	387.46	5.49	-101.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C(O)=C1	REAL300000318384	0	28	-2.0	-99.83	277.60	0.49	-99.34
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)C(O)=C1	REAL300000318385	0	29	-2.0	-107.70	302.99	2.89	-104.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(F)(F)F	REAL300000318386	0	35	-2.0	-105.85	330.62	3.73	-102.12
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300000318387	0	39	-2.0	-106.12	356.44	3.12	-103.00
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318388	0	32	-2.0	-106.93	324.24	1.87	-105.06
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318389	0	37	-2.0	-105.49	334.63	4.60	-100.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C(O)=C1	REAL300000318390	0	34	-2.0	-110.03	312.35	2.62	-107.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C(O)=C1	REAL300000318391	0	35	-2.0	-109.69	349.44	2.92	-106.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C(O)=C1	REAL300000318392	0	28	-2.0	-100.53	301.34	1.34	-99.19
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1OCC(=O)[O-]	REAL300000318393	0	38	-3.0	-160.02	355.81	3.76	-156.26
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OCC(=O)[O-]	REAL300000318393	1	39	-2.0	-102.14	355.70	3.69	-98.45
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=C1	REAL300000318394	1	39	-2.0	-106.71	343.00	3.20	-103.51
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C12	REAL300000318395	0	37	-2.0	-103.39	342.52	1.94	-101.45
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C12	REAL300000318396	0	33	-2.0	-99.21	315.95	-0.82	-100.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)C(O)=C1	REAL300000318397	0	38	-2.0	-110.22	357.74	5.05	-105.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C(O)=C1	REAL300000318398	0	29	-2.0	-110.97	287.96	2.33	-108.64
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(F)=C1	REAL300000318399	0	33	-2.0	-111.30	314.17	1.79	-109.51
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318400	0	35	-2.0	-116.57	338.15	4.12	-112.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C(O)=C1	REAL300000318401	0	31	-2.0	-114.01	314.01	4.14	-109.87
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318402	0	34	-3.0	-166.25	325.36	3.58	-162.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1O	REAL300000318402	1	35	-2.0	-108.36	326.42	3.60	-104.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C(O)=C1	REAL300000318403	0	35	-2.0	-114.18	319.33	1.86	-112.32
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CN1C	REAL300000318404	0	32	-2.0	-117.73	299.89	1.09	-116.64
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318405	0	35	-3.0	-158.55	341.95	3.11	-155.44
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318405	1	36	-2.0	-105.92	341.90	3.05	-102.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C(O)=C1	REAL300000318406	0	33	-2.0	-111.21	314.21	2.26	-108.95
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318407	0	38	-2.0	-112.09	352.85	3.79	-108.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000318408	0	32	-2.0	-105.68	302.27	0.77	-104.91
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318409	0	41	-2.0	-103.06	374.33	4.59	-98.47
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CN=C21	REAL300000318410	0	37	-2.0	-100.86	345.87	-0.38	-101.24
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318411	0	36	-2.0	-110.54	331.26	1.93	-108.61
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318412	0	35	-2.0	-116.50	327.82	3.67	-112.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C(O)=C1	REAL300000318413	0	37	-2.0	-114.87	341.76	2.77	-112.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C(O)=C1	REAL300000318414	0	32	-2.0	-107.00	320.75	3.28	-103.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C(O)=C1	REAL300000318415	0	32	-2.0	-103.49	308.47	3.65	-99.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C(O)=C1	REAL300000318416	0	29	-2.0	-107.10	308.26	2.31	-104.79
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318417	0	38	-3.0	-180.67	353.79	3.74	-176.93
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318417	1	39	-2.0	-104.10	353.69	3.68	-100.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C(O)=C1	REAL300000318418	0	34	-2.0	-107.28	312.17	1.50	-105.78
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1F	REAL300000318419	0	38	-2.0	-101.54	357.40	3.81	-97.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C(O)=C1	REAL300000318420	0	29	-2.0	-105.46	295.72	2.84	-102.62
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C2)=CO1	REAL300000318421	0	38	-2.0	-111.57	352.59	1.28	-110.29
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C2O1	REAL300000318422	0	37	-2.0	-107.51	333.10	2.82	-104.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C(O)=C1	REAL300000318423	0	33	-2.0	-102.35	320.49	-0.94	-103.29
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318424	0	33	-2.0	-110.41	305.69	1.50	-108.91
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318425	0	32	-2.0	-109.48	291.26	3.00	-106.48
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318426	0	35	-2.0	-111.53	337.52	0.44	-111.09
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318426	1	34	-3.0	-167.76	334.51	-0.69	-168.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)CC2CCCO2)C(O)=C1	REAL300000318427	0	33	-2.0	-111.31	295.55	0.39	-110.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)CC2CCCCO2)C(O)=C1	REAL300000318428	0	36	-2.0	-109.90	313.04	1.47	-108.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C(F)C=C1F	REAL300000318429	0	35	-2.0	-101.97	340.97	2.95	-99.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(F)=C1	REAL300000318430	0	32	-2.0	-112.23	303.10	2.94	-109.29
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300000318431	0	33	-2.0	-104.40	334.82	2.63	-101.77
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1F	REAL300000318432	0	32	-2.0	-102.43	302.92	2.90	-99.53
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)O1	REAL300000318433	0	32	-2.0	-101.92	315.74	1.00	-100.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C(O)=C1	REAL300000318434	0	34	-2.0	-124.62	316.12	2.83	-121.79
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318435	0	41	-2.0	-112.41	363.53	1.14	-111.27
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C(C(=O)[O-])S1	REAL300000318436	0	31	-3.0	-170.43	313.28	2.67	-167.76
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C(C(=O)[O-])S1	REAL300000318436	1	32	-2.0	-112.30	313.14	2.22	-110.08
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1C	REAL300000318437	0	38	-2.0	-110.89	341.02	3.49	-107.40
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318438	0	33	-2.0	-110.65	318.80	2.07	-108.58
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CN=C1Cl	REAL300000318439	0	31	-2.0	-100.06	306.84	1.43	-98.63
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318440	0	35	-2.0	-115.89	334.36	-0.20	-116.09
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=C1C	REAL300000318441	1	39	-2.0	-107.80	337.53	2.91	-104.89
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318442	0	38	-2.0	-113.97	353.15	3.65	-110.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)N(C)C	REAL300000318444	0	43	-2.0	-107.59	378.48	1.72	-105.87
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C21	REAL300000318445	0	40	-2.0	-130.19	356.70	3.33	-126.86
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318446	0	41	-2.0	-108.10	355.31	2.82	-105.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)SC=C1	REAL300000318447	0	29	-2.0	-107.97	284.42	2.03	-105.94
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318448	0	35	-2.0	-105.43	347.72	3.37	-102.06
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1C	REAL300000318449	0	38	-2.0	-107.65	334.70	2.12	-105.53
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300000318450	0	38	-2.0	-104.07	346.99	3.40	-100.67
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1[N+](=O)[O-]	REAL300000318451	0	34	-2.0	-98.19	320.43	3.39	-94.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C(O)=C1	REAL300000318452	0	37	-2.0	-120.03	335.78	0.66	-119.37
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318453	0	38	-2.0	-122.02	361.23	0.40	-121.62
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318454	0	33	-2.0	-105.65	312.46	3.37	-102.28
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1F	REAL300000318455	0	36	-2.0	-115.24	337.36	1.22	-114.02
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1[N+](=O)[O-]	REAL300000318456	0	34	-2.0	-107.18	325.87	3.46	-103.72
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318457	0	41	-2.0	-108.19	328.80	4.76	-103.43
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC(Cl)=C2O1	REAL300000318458	0	37	-2.0	-104.81	349.96	3.33	-101.48
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1C	REAL300000318459	0	39	-2.0	-126.40	351.06	2.01	-124.39
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C21	REAL300000318460	0	43	-2.0	-129.43	367.83	3.79	-125.64
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318461	0	33	-2.0	-110.45	313.84	2.67	-107.78
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318462	0	33	-2.0	-102.09	312.44	3.36	-98.73
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318463	0	41	-2.0	-107.48	337.76	5.70	-101.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C(O)=C1	REAL300000318464	0	38	-2.0	-115.61	344.88	2.28	-113.33
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1OC	REAL300000318465	0	39	-2.0	-106.97	358.27	2.91	-104.06
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(F)=C1	REAL300000318466	0	30	-2.0	-104.35	302.49	2.66	-101.69
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C2O1	REAL300000318467	0	34	-2.0	-106.33	319.86	-0.13	-106.46
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000318468	0	35	-2.0	-105.68	320.95	1.30	-104.38
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318469	0	34	-2.0	-125.59	318.71	-1.34	-126.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C(O)=C1	REAL300000318470	0	34	-2.0	-109.29	317.15	2.59	-106.70
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000318471	0	35	-2.0	-111.12	335.57	0.98	-110.14
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CN1	REAL300000318472	0	35	-2.0	-114.95	320.16	0.65	-114.30
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C([N+](=O)[O-])=C1	REAL300000318473	0	32	-2.0	-109.84	318.02	4.02	-105.82
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=NN1C1=CC=CC=N1	REAL300000318475	0	38	-2.0	-110.83	350.76	3.44	-107.39
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318476	0	40	-2.0	-104.01	358.79	1.82	-102.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C(O)=C1	REAL300000318477	0	29	-2.0	-94.42	295.18	2.39	-92.03
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318478	0	40	-2.0	-106.40	358.66	4.04	-102.36
CC(C)OCCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318479	1	35	-2.0	-102.95	315.21	0.71	-102.24
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CN1C	REAL300000318480	0	36	-2.0	-111.88	337.36	2.31	-109.57
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318481	0	44	-2.0	-108.16	366.64	5.00	-103.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(O)=C1	REAL300000318482	0	31	-3.0	-158.70	317.71	3.33	-155.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(O)=C1	REAL300000318483	0	31	-3.0	-159.54	309.19	2.80	-156.74
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(O)=C1	REAL300000318483	1	32	-2.0	-106.38	308.95	2.74	-103.64
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318484	0	37	-2.0	-117.16	342.68	1.62	-115.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C(O)=C1	REAL300000318485	0	36	-2.0	-109.75	341.16	3.49	-106.26
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318486	0	29	-2.0	-107.39	310.38	2.58	-104.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)C(O)=C1	REAL300000318487	0	29	-2.0	-99.44	303.20	2.87	-96.57
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318488	0	39	-2.0	-116.24	343.56	2.42	-113.82
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC(C)=C1F	REAL300000318489	0	35	-2.0	-103.09	323.22	3.55	-99.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2)C(O)=C1	REAL300000318490	0	29	-2.0	-99.50	303.19	2.87	-96.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(Cl)=C1Cl	REAL300000318491	0	33	-2.0	-106.87	333.27	2.57	-104.30
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000318492	0	40	-2.0	-111.26	363.93	2.96	-108.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C(O)=C1	REAL300000318493	0	32	-2.0	-103.09	321.01	0.27	-102.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318494	0	28	-3.0	-162.17	296.91	1.89	-160.28
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318495	0	38	-2.0	-116.11	340.74	3.46	-112.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2)C(O)=C1	REAL300000318496	0	31	-3.0	-164.42	311.07	2.83	-161.59
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2)C(O)=C1	REAL300000318496	1	32	-2.0	-112.50	311.00	2.77	-109.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1F	REAL300000318497	0	34	-3.0	-173.78	330.40	3.46	-170.32
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318498	0	43	-2.0	-105.42	369.01	4.26	-101.16
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CN1	REAL300000318499	0	33	-2.0	-109.47	319.59	0.55	-108.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(O)=C1	REAL300000318500	0	31	-3.0	-159.93	310.12	2.84	-157.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(O)=C1	REAL300000318501	0	31	-3.0	-158.01	317.16	3.17	-154.84
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(O)=C1	REAL300000318501	1	32	-2.0	-102.15	316.94	3.09	-99.06
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318502	0	32	-2.0	-105.18	296.99	3.00	-102.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1Br	REAL300000318503	0	32	-2.0	-106.41	315.69	3.40	-103.01
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1C	REAL300000318504	0	38	-2.0	-106.30	347.03	3.39	-102.91
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CS1	REAL300000318505	0	32	-2.0	-107.39	323.46	1.89	-105.50
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1F	REAL300000318506	0	35	-2.0	-101.44	335.52	2.88	-98.56
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318507	0	31	-2.0	-104.74	300.46	0.80	-103.94
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318508	0	33	-2.0	-114.25	318.45	3.38	-110.87
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318509	0	37	-2.0	-97.48	334.55	4.54	-92.94
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1O	REAL300000318510	0	37	-2.0	-121.08	341.80	-1.64	-122.72
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318511	0	34	-3.0	-168.27	334.10	3.97	-164.30
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1O	REAL300000318511	1	35	-2.0	-108.38	331.91	3.53	-104.85
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318512	0	35	-2.0	-104.96	330.42	3.98	-100.98
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318513	0	29	-2.0	-101.96	309.40	2.53	-99.43
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318514	0	35	-2.0	-109.74	319.08	3.64	-106.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C(O)=C1	REAL300000318515	0	32	-2.0	-105.25	331.84	4.14	-101.11
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318516	0	32	-2.0	-105.76	304.02	2.94	-102.82
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318517	0	39	-3.0	-157.83	368.40	4.18	-153.65
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318517	1	40	-2.0	-103.35	368.24	4.11	-99.24
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318518	0	35	-2.0	-103.34	334.08	1.66	-101.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C(O)=C1	REAL300000318519	0	35	-2.0	-105.34	327.57	1.27	-104.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(O)=C1	REAL300000318520	0	33	-3.0	-158.62	332.84	3.43	-155.19
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(O)=C1	REAL300000318520	1	34	-2.0	-108.53	332.79	3.37	-105.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C(O)=C1	REAL300000318521	0	32	-2.0	-109.45	329.54	4.09	-105.36
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318522	0	39	-2.0	-117.82	359.13	2.66	-115.16
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318523	0	41	-2.0	-112.79	364.09	4.18	-108.61
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C2O1	REAL300000318524	0	40	-2.0	-107.47	353.63	3.46	-104.01
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C(F)C=C1F	REAL300000318525	0	32	-2.0	-104.49	308.38	2.97	-101.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C(O)=C1	REAL300000318526	0	35	-2.0	-116.64	327.96	5.27	-111.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(O)=C1	REAL300000318527	0	35	-2.0	-116.62	317.24	4.52	-112.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C(O)=C1	REAL300000318528	0	31	-2.0	-105.97	308.18	1.68	-104.29
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1[N+](=O)[O-]	REAL300000318529	0	34	-2.0	-105.17	333.54	3.95	-101.22
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318530	0	36	-2.0	-109.49	354.04	1.28	-108.21
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318531	0	32	-2.0	-105.04	309.76	3.49	-101.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(O)=C1	REAL300000318532	0	32	-3.0	-175.20	314.37	0.47	-174.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C(O)=C1	REAL300000318533	0	39	-2.0	-112.55	331.51	4.82	-107.73
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318534	0	34	-3.0	-164.97	326.83	3.55	-161.42
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318534	1	35	-2.0	-100.12	326.75	3.49	-96.63
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300000318535	0	36	-2.0	-108.97	346.36	1.72	-107.25
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)O1	REAL300000318536	0	35	-2.0	-102.12	337.60	1.93	-100.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C(O)=C1	REAL300000318537	0	31	-2.0	-98.01	310.83	2.95	-95.06
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318538	0	34	-2.0	-117.99	330.52	3.18	-114.81
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300000318539	0	41	-2.0	-107.70	366.93	3.75	-103.95
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318540	0	34	-2.0	-99.80	332.35	4.01	-95.79
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)SC=C1	REAL300000318541	0	30	-2.0	-116.36	298.36	0.49	-115.87
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318542	0	38	-2.0	-114.93	358.36	0.62	-114.31
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)OC2=CC=C(F)C=C12	REAL300000318543	0	35	-2.0	-107.23	332.94	3.31	-103.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(O)=C1	REAL300000318544	0	32	-2.0	-109.68	305.96	2.60	-107.08
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=CC=C2C=C1	REAL300000318545	0	37	-2.0	-126.52	337.70	3.44	-123.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C2=CC(Cl)=CC=C2S1	REAL300000318546	0	35	-2.0	-108.68	342.59	5.12	-103.56
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C21	REAL300000318547	0	40	-2.0	-104.85	359.50	1.71	-103.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C(Br)S1	REAL300000318548	0	29	-2.0	-101.63	306.08	2.71	-98.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C(O)=C1	REAL300000318549	0	35	-2.0	-108.59	331.60	4.94	-103.65
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC(F)=C1F	REAL300000318550	0	35	-2.0	-96.97	341.81	2.94	-94.03
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)SC2=CC=CC(F)=C12	REAL300000318551	0	35	-2.0	-110.95	333.83	4.38	-106.57
N#CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318552	0	30	-2.0	-99.91	318.33	3.21	-96.70
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1F	REAL300000318553	0	34	-2.0	-106.56	330.21	3.58	-102.98
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318554	0	31	-2.0	-112.42	309.43	0.96	-111.46
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=NC2=C1Cl	REAL300000318555	0	34	-2.0	-98.65	337.18	2.16	-96.49
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C(O)=C1	REAL300000318556	0	29	-2.0	-112.36	295.83	3.14	-109.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C(O)=C1	REAL300000318557	0	31	-2.0	-101.19	324.47	2.12	-99.07
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318558	0	29	-2.0	-98.43	292.22	1.12	-97.31
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)N=C1Cl	REAL300000318559	0	29	-2.0	-111.92	296.54	1.03	-110.89
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318560	0	37	-2.0	-111.36	335.18	0.81	-110.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000318561	0	31	-3.0	-165.17	325.36	3.30	-161.87
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000318561	1	32	-2.0	-99.52	325.28	3.22	-96.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C(O)=C1	REAL300000318562	0	30	-2.0	-112.22	292.03	0.95	-111.27
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1C	REAL300000318563	0	37	-2.0	-120.76	327.27	5.01	-115.75
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)S2)=CS1	REAL300000318564	0	35	-2.0	-107.56	355.65	2.76	-104.80
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318565	0	30	-2.0	-100.20	298.41	0.03	-100.17
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318566	0	28	-2.0	-104.55	284.72	0.03	-104.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1Cl	REAL300000318567	0	35	-2.0	-101.40	343.50	3.25	-98.15
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318568	0	34	-2.0	-98.97	324.40	3.66	-95.31
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318569	0	34	-3.0	-172.44	314.69	3.39	-169.05
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1O	REAL300000318569	1	35	-2.0	-98.93	315.58	3.44	-95.49
COCCOCCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318570	1	36	-2.0	-105.36	328.56	-0.77	-106.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C(O)=C1	REAL300000318571	0	36	-2.0	-126.82	340.80	0.08	-126.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC(C(=O)[O-])=C1F	REAL300000318572	0	34	-3.0	-172.16	329.49	3.42	-168.74
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)=CC(C(=O)[O-])=C1F	REAL300000318572	1	35	-2.0	-122.20	329.41	3.35	-118.85
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318573	0	34	-3.0	-161.17	320.07	3.54	-157.63
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1O	REAL300000318573	1	35	-2.0	-104.32	321.01	3.56	-100.76
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318574	0	35	-2.0	-115.10	335.14	3.32	-111.78
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C2F)N=C1	REAL300000318575	0	39	-2.0	-103.65	359.80	4.07	-99.58
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C(C)N1	REAL300000318576	0	42	-2.0	-107.72	372.21	2.89	-104.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318577	0	32	-2.0	-107.74	308.38	2.98	-104.76
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1[N+](=O)[O-]	REAL300000318578	0	35	-2.0	-98.23	331.72	2.95	-95.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC(C(=O)[O-])=C1C	REAL300000318579	0	37	-3.0	-177.44	337.53	3.83	-173.61
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)=CC(C(=O)[O-])=C1C	REAL300000318579	1	38	-2.0	-101.90	336.07	3.69	-98.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C(O)=C1	REAL300000318580	0	35	-2.0	-117.36	333.94	5.03	-112.33
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318581	0	35	-2.0	-108.14	341.31	-0.25	-108.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(O)=C1	REAL300000318582	0	33	-3.0	-170.90	331.23	3.86	-167.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C(O)=C1	REAL300000318583	0	32	-2.0	-105.28	321.53	3.70	-101.58
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1CC	REAL300000318584	0	41	-2.0	-110.12	353.26	4.77	-105.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(O)=C1	REAL300000318585	0	31	-3.0	-163.23	316.39	2.89	-160.34
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC([N+](=O)[O-])=C1F	REAL300000318586	0	34	-2.0	-98.70	329.24	3.53	-95.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C(O)=C1	REAL300000318587	0	28	-2.0	-106.25	295.16	1.65	-104.60
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318588	0	35	-2.0	-115.34	321.63	2.59	-112.75
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000318589	0	34	-2.0	-100.46	326.93	1.03	-99.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C(O)=C1	REAL300000318590	0	28	-2.0	-98.34	301.62	1.38	-96.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=C1C(=O)[O-]	REAL300000318591	0	37	-3.0	-176.84	339.13	4.15	-172.69
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C(C)=C1C(=O)[O-]	REAL300000318591	1	38	-2.0	-102.54	339.51	4.18	-98.36
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)[N-]C4=CC=C(C(=O)[O-])C=C4O)C=CC1=C23	REAL300000318592	0	40	-2.0	-108.97	361.97	4.14	-104.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318593	0	34	-3.0	-172.70	326.13	3.36	-169.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1Cl	REAL300000318594	0	34	-3.0	-172.98	336.44	3.90	-169.08
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318595	0	34	-3.0	-179.28	329.70	3.46	-175.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C(O)=C1	REAL300000318596	0	29	-2.0	-96.71	303.43	2.69	-94.02
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318597	0	37	-2.0	-119.04	339.28	3.47	-115.57
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000318598	0	36	-2.0	-104.50	335.95	-0.18	-104.68
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C([N+](=O)[O-])=N1	REAL300000318599	0	34	-2.0	-112.46	326.51	3.04	-109.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)C(O)=C1	REAL300000318600	0	29	-2.0	-104.77	299.08	2.97	-101.80
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1Br	REAL300000318601	0	32	-2.0	-110.44	310.88	3.47	-106.97
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318602	0	37	-3.0	-176.32	338.62	3.95	-172.37
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318602	1	38	-2.0	-119.07	338.80	3.89	-115.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C(O)=C1	REAL300000318603	0	40	-2.0	-105.78	353.35	0.75	-105.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)C(O)=C1	REAL300000318606	0	32	-2.0	-101.25	328.07	3.76	-97.49
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1O	REAL300000318607	0	35	-2.0	-101.14	323.13	2.26	-98.88
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318607	1	34	-3.0	-159.74	325.13	2.68	-157.06
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318608	0	38	-2.0	-108.23	349.19	3.85	-104.38
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318609	0	35	-2.0	-115.43	323.52	2.96	-112.47
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C(O)=C1	REAL300000318610	0	37	-2.0	-104.16	334.23	-0.04	-104.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C(O)=C1	REAL300000318611	0	36	-2.0	-109.95	340.56	2.75	-107.20
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318612	0	37	-2.0	-107.01	349.62	4.26	-102.75
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1F	REAL300000318613	0	32	-2.0	-113.99	302.01	2.92	-111.07
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000318614	0	35	-2.0	-101.91	325.23	-0.17	-102.08
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C(O)=C1	REAL300000318615	0	36	-2.0	-118.23	322.14	2.24	-115.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1CC(=O)[O-]	REAL300000318616	0	38	-3.0	-179.34	355.13	2.90	-176.44
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1CC(=O)[O-]	REAL300000318616	1	39	-2.0	-102.88	355.02	2.83	-100.05
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318617	0	36	-2.0	-108.53	331.27	1.94	-106.59
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318618	0	34	-2.0	-112.49	315.46	-0.81	-113.30
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1Cl	REAL300000318619	0	32	-2.0	-111.00	308.06	3.35	-107.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C(C)O1	REAL300000318621	0	32	-2.0	-106.30	299.14	1.78	-104.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)C(O)=C1	REAL300000318622	0	35	-2.0	-113.87	322.44	-0.12	-113.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)C(O)=C1	REAL300000318623	0	37	-2.0	-108.36	329.89	2.83	-105.53
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C2)CC1	REAL300000318624	0	42	-2.0	-108.95	374.53	4.84	-104.11
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318625	0	38	-2.0	-104.63	359.26	3.86	-100.77
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318626	0	36	-2.0	-107.57	322.79	2.25	-105.32
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C(C(=O)OC)O1	REAL300000318627	0	38	-2.0	-103.68	353.18	2.62	-101.06
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318628	0	39	-2.0	-106.62	345.47	3.05	-103.57
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318629	0	32	-2.0	-108.63	309.84	2.62	-106.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C(O)=C1	REAL300000318630	0	32	-2.0	-105.62	302.25	0.87	-104.75
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C2=NC=CC=C2C=C1	REAL300000318631	0	37	-2.0	-124.99	329.82	3.97	-121.02
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C(O)=C1	REAL300000318632	0	35	-2.0	-118.30	325.46	4.22	-114.08
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C(O)=C1	REAL300000318633	0	35	-2.0	-99.93	344.80	0.29	-99.64
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318634	0	35	-2.0	-112.24	327.83	3.65	-108.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C(O)=C1	REAL300000318635	0	31	-2.0	-95.78	308.95	2.90	-92.88
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318636	0	34	-3.0	-163.89	330.92	3.94	-159.95
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1O	REAL300000318636	1	35	-2.0	-96.32	328.68	3.50	-92.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C(O)=C1	REAL300000318637	0	29	-2.0	-100.10	299.35	2.79	-97.31
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C(C)O1	REAL300000318638	0	35	-2.0	-103.76	334.03	1.77	-101.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C(O)=C1	REAL300000318639	0	28	-2.0	-100.01	287.94	0.91	-99.10
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000318640	0	34	-3.0	-171.41	335.89	3.72	-167.69
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000318640	1	35	-2.0	-118.86	335.82	3.66	-115.20
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)N=C1C	REAL300000318641	0	35	-2.0	-117.53	321.92	2.00	-115.53
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318642	0	32	-2.0	-109.78	314.09	3.57	-106.21
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318643	0	32	-2.0	-110.40	310.74	3.44	-106.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318644	0	35	-3.0	-174.58	332.68	2.99	-171.59
CCN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318644	1	36	-2.0	-103.42	334.34	2.98	-100.44
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318645	0	32	-2.0	-106.60	316.08	0.95	-105.65
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318646	0	41	-2.0	-108.62	355.67	2.77	-105.85
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CN1C	REAL300000318647	0	39	-2.0	-111.42	359.22	3.24	-108.18
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318648	0	37	-2.0	-103.31	335.88	4.14	-99.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C(O)=C1	REAL300000318649	0	29	-2.0	-112.95	292.25	3.00	-109.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(Cl)=N1	REAL300000318650	0	31	-2.0	-107.36	306.09	1.53	-105.83
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318651	0	34	-2.0	-107.61	325.24	2.39	-105.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C(O)=C1	REAL300000318652	0	36	-2.0	-109.16	341.26	3.39	-105.77
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300000318653	0	33	-2.0	-104.85	331.40	3.68	-101.17
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318654	0	31	-2.0	-104.16	306.20	0.79	-103.37
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C12	REAL300000318655	0	36	-2.0	-98.96	337.43	-0.08	-99.04
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318656	0	31	-2.0	-103.32	314.32	2.54	-100.78
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CN=C1Cl	REAL300000318657	0	32	-2.0	-98.54	317.04	0.16	-98.38
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300000318658	0	38	-2.0	-105.37	352.13	3.17	-102.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C(O)=C1	REAL300000318659	0	41	-2.0	-107.62	360.39	3.68	-103.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C(O)=C1	REAL300000318660	0	31	-2.0	-98.12	311.69	1.53	-96.59
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318661	0	35	-2.0	-105.13	337.40	2.93	-102.20
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C(C)=C1CC(=O)[O-]	REAL300000318662	0	44	-2.0	-124.04	374.17	5.21	-118.83
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=C1CC(=O)[O-]	REAL300000318662	1	43	-3.0	-177.06	369.80	5.64	-171.42
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318663	0	44	-2.0	-107.30	367.74	3.19	-104.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=C1F	REAL300000318664	0	36	-2.0	-104.64	326.28	2.32	-102.32
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(Cl)=C1	REAL300000318665	0	30	-2.0	-102.17	310.08	3.16	-99.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C(O)=C1	REAL300000318666	0	32	-2.0	-116.73	304.13	2.53	-114.20
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318667	0	34	-2.0	-105.02	326.14	1.07	-103.95
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318668	0	40	-2.0	-117.64	366.34	2.30	-115.34
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C(O)=C1	REAL300000318669	0	26	-2.0	-101.70	280.57	0.94	-100.76
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C(C2=CC=CC=C2)S1	REAL300000318670	0	38	-2.0	-115.47	357.51	3.75	-111.72
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C(C2=CC=CC=C2)O1	REAL300000318671	0	38	-2.0	-114.61	350.52	1.31	-113.30
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1[N+](=O)[O-]	REAL300000318672	0	37	-2.0	-107.47	335.89	4.15	-103.32
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318673	0	39	-2.0	-115.75	339.73	3.96	-111.79
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318674	1	37	-2.0	-110.72	327.28	2.59	-108.13
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318675	0	41	-2.0	-111.42	368.28	4.56	-106.86
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C(O)=C1	REAL300000318676	0	29	-2.0	-101.43	311.37	3.32	-98.11
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318677	0	29	-2.0	-101.68	305.18	2.43	-99.25
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(OC)=C1	REAL300000318678	0	39	-2.0	-109.69	359.18	2.66	-107.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C(O)=C1	REAL300000318679	0	32	-2.0	-108.25	308.37	3.08	-105.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C(O)=C1	REAL300000318680	0	32	-2.0	-103.38	320.43	3.27	-100.11
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318681	0	32	-2.0	-105.73	318.91	3.49	-102.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C(O)=C1	REAL300000318682	0	32	-2.0	-105.03	314.12	1.10	-103.93
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318683	0	33	-2.0	-115.19	312.27	3.27	-111.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C(O)=C1	REAL300000318684	0	32	-2.0	-107.74	322.79	-0.69	-108.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C(O)=C1	REAL300000318685	0	37	-2.0	-102.89	345.64	3.48	-99.41
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318686	0	38	-2.0	-111.70	330.19	4.20	-107.50
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=CS1	REAL300000318687	0	35	-2.0	-117.53	331.41	3.39	-114.14
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1F	REAL300000318688	0	33	-2.0	-101.61	311.91	1.58	-100.03
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318689	0	37	-2.0	-115.46	349.60	4.26	-111.20
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CN=C21	REAL300000318690	0	34	-2.0	-103.65	320.55	1.34	-102.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C(O)=C1	REAL300000318691	0	28	-2.0	-99.44	297.36	1.98	-97.46
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318693	0	37	-2.0	-110.11	343.40	0.42	-109.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C(O)=C1	REAL300000318694	0	32	-2.0	-99.61	331.67	3.72	-95.89
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1[N+](=O)[O-]	REAL300000318695	0	35	-2.0	-97.52	339.67	3.04	-94.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C(O)=C1	REAL300000318696	0	33	-2.0	-111.17	304.32	1.65	-109.52
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318697	0	30	-2.0	-105.75	310.11	3.16	-102.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C(O)=C1	REAL300000318698	0	32	-2.0	-105.60	320.15	1.27	-104.33
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318699	0	35	-2.0	-108.00	306.40	3.93	-104.07
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318700	0	37	-2.0	-121.95	330.17	2.71	-119.24
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318702	0	32	-2.0	-112.99	295.79	3.17	-109.82
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318703	0	32	-2.0	-102.83	312.97	3.59	-99.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C(O)=C1	REAL300000318704	0	33	-2.0	-120.73	314.58	2.29	-118.44
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318705	0	42	-2.0	-107.29	366.38	3.67	-103.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)C(O)=C1	REAL300000318706	0	29	-2.0	-104.71	302.99	2.89	-101.82
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=CC=C12	REAL300000318707	0	37	-2.0	-123.89	334.08	3.38	-120.51
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318708	0	33	-2.0	-111.48	327.45	-0.50	-111.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C(O)=C1	REAL300000318709	0	30	-2.0	-114.67	300.96	0.51	-114.16
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318710	0	32	-2.0	-105.27	300.76	-0.32	-105.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)C(O)=C1	REAL300000318711	0	29	-2.0	-109.67	302.27	2.88	-106.79
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300000318712	0	39	-2.0	-104.65	358.26	2.92	-101.73
COCCOCCOCCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318713	1	43	-2.0	-107.50	384.05	-0.45	-107.95
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O)OCO2	REAL300000318714	0	35	-2.0	-105.92	317.69	1.64	-104.28
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318715	0	35	-2.0	-107.74	326.63	3.48	-104.26
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318716	0	34	-3.0	-168.87	334.52	3.73	-165.14
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318716	1	35	-2.0	-97.34	333.07	3.59	-93.75
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318717	0	39	-2.0	-108.25	346.37	2.05	-106.20
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318718	0	38	-2.0	-121.53	343.30	4.51	-117.02
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318719	0	37	-2.0	-110.43	327.46	0.89	-109.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)C(O)=C1	REAL300000318720	0	35	-2.0	-116.85	337.41	3.75	-113.10
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318721	0	32	-2.0	-111.92	320.85	-0.29	-112.21
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318721	1	31	-3.0	-166.92	317.85	-1.43	-168.35
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318722	0	36	-2.0	-108.39	337.38	1.22	-107.17
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300000318723	0	37	-2.0	-106.75	348.00	1.98	-104.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C(O)=C1	REAL300000318724	0	33	-2.0	-104.23	321.66	1.85	-102.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C(O)=C1	REAL300000318725	0	32	-2.0	-98.60	320.52	3.27	-95.33
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000318726	0	34	-2.0	-110.34	332.98	-2.18	-112.52
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318727	0	33	-2.0	-111.15	307.20	3.63	-107.52
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318728	0	33	-2.0	-114.16	318.45	3.37	-110.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C(O)=C1	REAL300000318729	0	29	-2.0	-102.69	306.05	3.28	-99.41
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318730	1	35	-2.0	-101.79	312.71	3.95	-97.84
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(N)=NO1	REAL300000318731	0	30	-2.0	-99.08	283.73	-0.43	-99.51
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O)OCC(=O)N2	REAL300000318732	0	39	-2.0	-112.32	355.16	-0.77	-113.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C(O)=C1	REAL300000318733	0	29	-2.0	-101.41	306.19	3.59	-97.82
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318734	0	33	-2.0	-111.66	321.18	2.51	-109.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C(O)=C1	REAL300000318735	0	30	-2.0	-103.87	303.69	0.98	-102.89
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318736	0	36	-2.0	-110.55	321.16	2.28	-108.27
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1Br	REAL300000318737	0	30	-2.0	-99.19	316.70	3.10	-96.09
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300000318738	0	36	-2.0	-106.10	336.76	2.85	-103.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C(O)=C1	REAL300000318739	0	31	-2.0	-100.01	326.07	3.44	-96.57
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318740	0	27	-2.0	-99.83	288.71	1.76	-98.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C(O)=C1	REAL300000318741	0	31	-2.0	-96.37	322.33	3.32	-93.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000318742	0	31	-2.0	-105.58	292.80	1.04	-104.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C(O)=C1	REAL300000318743	0	34	-2.0	-108.38	317.38	2.57	-105.81
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(F)=C1	REAL300000318744	0	35	-2.0	-106.60	336.44	2.93	-103.67
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318745	0	35	-2.0	-102.70	335.50	2.89	-99.81
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318746	0	37	-2.0	-118.04	352.33	4.05	-113.99
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1C#N	REAL300000318747	0	33	-2.0	-101.52	316.18	3.10	-98.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C(O)=C1	REAL300000318748	0	28	-2.0	-94.77	293.93	0.88	-93.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(F)=C1	REAL300000318749	0	33	-2.0	-109.67	311.18	1.57	-108.10
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1[N+](=O)[O-]	REAL300000318750	0	37	-2.0	-120.96	337.14	5.53	-115.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C(O)=C1	REAL300000318751	0	35	-2.0	-108.82	337.22	4.00	-104.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)C(O)=C1	REAL300000318752	0	35	-2.0	-107.77	321.89	2.72	-105.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C(O)=C1	REAL300000318753	0	33	-2.0	-113.79	323.93	3.09	-110.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C(O)=C1	REAL300000318754	0	32	-2.0	-107.09	310.37	3.14	-103.95
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C(O)=C1	REAL300000318755	0	39	-2.0	-112.68	350.39	5.62	-107.06
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)N(C)N=C1	REAL300000318757	0	32	-2.0	-101.38	293.07	0.68	-100.70
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318758	0	38	-2.0	-112.78	358.32	3.84	-108.94
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CN1C	REAL300000318759	0	41	-2.0	-109.08	378.20	3.42	-105.66
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)O1	REAL300000318760	0	27	-2.0	-99.94	280.12	0.75	-99.19
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C(F)C=C1C	REAL300000318761	0	41	-2.0	-107.68	374.34	4.39	-103.29
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318762	0	43	-2.0	-118.05	387.73	0.40	-117.65
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318763	0	40	-2.0	-117.29	359.52	1.72	-115.57
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1C(=O)[O-]	REAL300000318764	0	34	-3.0	-162.31	324.72	3.41	-158.90
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)=CC=C1C(=O)[O-]	REAL300000318764	1	35	-2.0	-101.21	320.86	3.27	-97.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000318765	0	32	-2.0	-102.01	303.36	-1.10	-103.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C(O)=C1	REAL300000318766	0	29	-2.0	-107.92	298.43	2.79	-105.13
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318767	0	38	-2.0	-110.56	353.72	4.98	-105.58
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318768	0	38	-2.0	-110.25	349.55	4.69	-105.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C(O)=C1	REAL300000318769	0	32	-2.0	-107.01	318.81	4.10	-102.91
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C(O)=C1	REAL300000318770	0	32	-2.0	-109.99	312.70	3.58	-106.41
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318771	0	41	-2.0	-114.85	375.02	4.57	-110.28
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)N(C)N=C1	REAL300000318772	0	38	-2.0	-108.04	347.27	2.21	-105.83
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318773	0	42	-2.0	-117.33	380.99	3.58	-113.75
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1C	REAL300000318774	0	41	-2.0	-106.62	368.90	4.32	-102.30
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=C2O1	REAL300000318775	0	40	-2.0	-119.87	353.92	3.43	-116.44
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1C(F)(F)F	REAL300000318776	0	33	-2.0	-98.55	332.85	3.39	-95.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C(O)=C1	REAL300000318777	0	32	-2.0	-112.80	302.79	0.84	-111.96
N#CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318778	0	30	-2.0	-113.02	313.98	2.99	-110.03
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318779	0	35	-2.0	-101.35	330.75	4.00	-97.35
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318780	0	36	-2.0	-110.49	327.54	2.43	-108.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C(O)=C1	REAL300000318781	0	29	-2.0	-109.66	298.53	3.07	-106.59
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C2C=C1	REAL300000318782	0	38	-2.0	-111.02	343.49	5.15	-105.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C(O)=C1	REAL300000318783	0	26	-2.0	-107.52	284.17	1.66	-105.86
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318784	0	38	-2.0	-105.80	360.41	4.05	-101.75
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318785	0	29	-2.0	-106.90	289.76	1.87	-105.03
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318786	0	42	-2.0	-113.54	372.68	2.57	-110.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C(O)=C1	REAL300000318787	0	26	-2.0	-103.92	274.47	-0.98	-104.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C(O)=C1	REAL300000318788	0	34	-2.0	-115.79	330.71	3.27	-112.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C(O)=C1	REAL300000318789	0	28	-2.0	-102.25	283.11	0.32	-101.93
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318790	0	36	-2.0	-104.50	344.75	2.51	-101.99
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318791	0	38	-2.0	-102.88	340.72	1.27	-101.61
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000318792	0	38	-2.0	-102.46	345.37	0.76	-101.70
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C([N+](=O)[O-])=C1	REAL300000318793	0	36	-3.0	-167.19	347.91	4.96	-162.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)C(O)=C1	REAL300000318795	0	37	-2.0	-106.59	336.72	3.18	-103.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(O)=C1	REAL300000318796	0	32	-2.0	-104.18	312.37	2.67	-101.51
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C(O)=C1	REAL300000318797	0	32	-2.0	-110.70	328.70	4.21	-106.49
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318798	0	34	-2.0	-116.94	317.35	1.79	-115.15
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318799	0	28	-2.0	-100.87	284.69	0.50	-100.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C(O)=C1	REAL300000318800	0	31	-2.0	-105.33	319.85	4.19	-101.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC(=O)S2)C(O)=C1	REAL300000318801	1	26	-2.0	-101.64	273.02	-1.91	-103.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C(O)=C1	REAL300000318802	0	33	-2.0	-106.90	324.69	0.90	-106.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C(O)=C1	REAL300000318802	1	32	-3.0	-186.32	321.46	1.77	-184.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C(O)=C1	REAL300000318803	0	35	-2.0	-102.92	332.12	3.60	-99.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C(O)=C1	REAL300000318804	0	36	-2.0	-108.29	325.42	4.31	-103.98
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318805	0	38	-2.0	-104.98	369.58	4.30	-100.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C(O)=C1	REAL300000318806	0	26	-2.0	-109.89	274.47	1.25	-108.64
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C2NC1=O	REAL300000318807	0	38	-2.0	-105.10	347.69	1.96	-103.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C(O)=C1	REAL300000318808	0	35	-2.0	-119.99	337.02	0.64	-119.35
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C(F)(F)F)=N1	REAL300000318809	0	32	-2.0	-107.15	314.83	1.06	-106.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C(O)=C1	REAL300000318810	0	38	-2.0	-107.87	341.02	3.80	-104.07
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318811	0	30	-2.0	-99.35	302.91	2.64	-96.71
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C(F)C=C1[N+](=O)[O-]	REAL300000318812	0	34	-2.0	-100.54	328.55	3.57	-96.97
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318813	0	34	-3.0	-171.42	324.60	3.58	-167.84
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1O	REAL300000318813	1	35	-2.0	-115.66	322.59	3.15	-112.51
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C(O)=C1	REAL300000318814	0	30	-2.0	-105.63	309.08	1.51	-104.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(O)=C1	REAL300000318815	0	33	-3.0	-184.97	328.38	4.63	-180.34
COCC1(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)CC1	REAL300000318816	1	33	-2.0	-112.02	297.73	1.22	-110.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C(O)=C1	REAL300000318817	0	33	-2.0	-108.21	327.47	2.07	-106.14
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C2N=C1Cl	REAL300000318818	0	37	-2.0	-104.39	352.67	3.60	-100.79
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318819	0	29	-2.0	-131.57	281.55	-1.87	-133.44
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C(F)C=C1C	REAL300000318820	0	38	-2.0	-107.60	352.46	3.46	-104.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C(O)=C1	REAL300000318821	0	29	-2.0	-99.84	308.77	2.40	-97.44
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C(O)=C1	REAL300000318822	0	34	-2.0	-113.45	313.18	-0.88	-114.33
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318823	0	32	-2.0	-109.04	306.31	2.83	-106.21
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CN=C1C	REAL300000318824	0	37	-2.0	-100.71	342.43	1.54	-99.17
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318825	0	41	-2.0	-110.74	379.85	1.42	-109.32
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318826	0	31	-2.0	-99.52	303.75	1.59	-97.93
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C(Br)N1C	REAL300000318827	0	32	-2.0	-116.39	317.96	1.59	-114.80
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1C(F)(F)F	REAL300000318828	0	35	-2.0	-101.52	330.62	3.72	-97.80
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318829	0	38	-2.0	-115.00	353.14	3.64	-111.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C(O)=C1	REAL300000318830	0	31	-2.0	-99.04	315.94	2.08	-96.96
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)CC1	REAL300000318831	1	38	-2.0	-115.68	343.00	3.65	-112.03
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=NN1C	REAL300000318832	0	32	-2.0	-107.32	296.86	0.44	-106.88
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318833	0	33	-2.0	-108.93	307.29	3.29	-105.64
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318834	0	42	-2.0	-118.94	370.15	3.07	-115.87
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318835	0	32	-2.0	-106.57	299.58	0.57	-106.00
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318836	0	36	-2.0	-106.37	348.00	2.44	-103.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)OC(C)C	REAL300000318837	0	44	-2.0	-107.12	389.14	5.03	-102.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C(O)=C1	REAL300000318838	0	29	-2.0	-104.50	291.87	-0.27	-104.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C(O)=C1	REAL300000318839	0	35	-2.0	-101.79	322.49	2.14	-99.65
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318840	0	42	-2.0	-106.47	386.05	2.57	-103.90
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=CC=C12	REAL300000318841	0	43	-2.0	-112.79	370.66	4.37	-108.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C(O)=C1	REAL300000318842	0	31	-2.0	-105.41	324.37	2.13	-103.28
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300000318843	0	37	-2.0	-111.58	349.92	1.88	-109.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C(O)=C1	REAL300000318844	0	37	-2.0	-98.95	347.34	0.77	-98.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C(O)=C1	REAL300000318845	0	36	-2.0	-114.16	332.20	1.96	-112.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C(O)=C1	REAL300000318846	0	32	-2.0	-104.96	313.43	-0.23	-105.19
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318847	0	42	-2.0	-111.67	372.41	3.49	-108.18
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1Cl	REAL300000318848	0	33	-2.0	-102.24	321.72	2.06	-100.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(O)=C1	REAL300000318849	0	31	-3.0	-178.52	308.31	2.80	-175.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C(O)=C1	REAL300000318850	0	26	-2.0	-111.91	275.55	0.21	-111.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C(O)=C1	REAL300000318851	0	31	-2.0	-118.64	307.39	1.63	-117.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C(O)=C1	REAL300000318852	0	34	-2.0	-111.25	311.99	2.04	-109.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C(O)=C1	REAL300000318853	0	35	-2.0	-116.20	326.71	4.52	-111.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C(O)=C1	REAL300000318854	0	32	-2.0	-111.21	316.34	1.28	-109.93
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318855	0	35	-2.0	-114.17	344.63	3.74	-110.43
CCC1=CC(CC)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(CC)=C1	REAL300000318856	1	47	-2.0	-107.77	380.96	7.08	-100.69
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318857	0	32	-2.0	-109.90	303.32	3.70	-106.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C(O)=C1	REAL300000318858	0	33	-2.0	-106.18	320.61	2.33	-103.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C(O)=C1	REAL300000318859	0	34	-2.0	-117.86	312.50	2.04	-115.82
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318860	0	38	-2.0	-111.14	358.61	3.70	-107.44
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C2=CC=CC(C)=C2S1	REAL300000318861	0	38	-2.0	-110.11	346.08	5.23	-104.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C(O)=C1	REAL300000318862	0	33	-2.0	-106.35	330.93	2.78	-103.57
CCC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O)OC	REAL300000318863	0	35	-2.0	-106.84	311.32	0.73	-106.11
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318864	0	42	-2.0	-109.25	364.88	3.62	-105.63
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318865	0	41	-2.0	-107.52	346.53	1.76	-105.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)CCOCC2CC2)C(O)=C1	REAL300000318866	1	36	-2.0	-102.88	326.61	1.55	-101.33
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(F)=C1	REAL300000318867	0	32	-2.0	-114.93	306.11	3.17	-111.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C1=CC=CC=C1	REAL300000318868	0	43	-2.0	-110.36	384.37	5.27	-105.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C(O)=C1	REAL300000318869	0	28	-2.0	-100.70	301.24	1.40	-99.30
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1Br	REAL300000318870	0	29	-2.0	-103.27	299.78	0.36	-102.91
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300000318871	0	34	-2.0	-107.51	320.04	0.66	-106.85
CS(=O)(=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O)C1=CC=CC=C1	REAL300000318872	0	36	-2.0	-128.70	338.37	0.91	-127.79
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318873	0	34	-3.0	-166.85	325.82	3.34	-163.51
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)[O-]	REAL300000318873	1	35	-2.0	-97.36	324.34	3.20	-94.16
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O)C1CC1	REAL300000318874	0	36	-2.0	-109.72	317.44	1.98	-107.74
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318875	0	33	-2.0	-111.81	310.86	2.06	-109.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C(O)=C1	REAL300000318876	0	32	-2.0	-98.81	315.79	1.31	-97.50
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1[N+](=O)[O-]	REAL300000318877	0	37	-2.0	-106.26	338.61	4.05	-102.21
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318878	0	45	-2.0	-117.06	380.62	4.32	-112.74
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O)C1CCOCC1	REAL300000318879	0	43	-2.0	-104.08	357.39	0.67	-103.41
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300000318880	0	32	-2.0	-99.17	319.45	-0.56	-99.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)C(O)=C1	REAL300000318881	0	33	-2.0	-103.66	326.27	0.36	-103.30
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1Cl	REAL300000318882	0	32	-2.0	-103.32	311.66	3.31	-100.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C(O)=C1	REAL300000318883	0	35	-2.0	-116.83	324.31	3.19	-113.64
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C2)=N1	REAL300000318884	0	38	-2.0	-106.96	362.43	3.68	-103.28
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318885	0	38	-2.0	-113.81	356.75	3.55	-110.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C([N+](=O)[O-])S1	REAL300000318886	0	31	-2.0	-115.03	310.77	3.40	-111.63
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318887	0	34	-2.0	-121.14	316.78	-1.90	-123.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)C(O)=C1	REAL300000318888	0	31	-2.0	-99.06	314.68	2.21	-96.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C(O)=C1	REAL300000318889	0	32	-2.0	-103.68	318.20	0.40	-103.28
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C(O)=C1	REAL300000318890	0	28	-2.0	-109.88	276.70	0.39	-109.49
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C(O)=C1	REAL300000318892	0	28	-2.0	-99.08	277.61	0.35	-98.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)CCOCC2CCC2)C(O)=C1	REAL300000318893	1	39	-2.0	-102.84	343.18	2.08	-100.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)C(O)=C1	REAL300000318894	0	31	-2.0	-106.57	326.78	2.19	-104.38
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318895	0	36	-2.0	-111.67	343.96	3.96	-107.71
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O)C(C)C	REAL300000318896	0	38	-2.0	-107.25	329.79	1.21	-106.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C(O)=C1	REAL300000318897	0	29	-2.0	-99.60	298.78	2.77	-96.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C(O)=C1	REAL300000318898	0	38	-2.0	-114.29	337.93	2.57	-111.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C(O)=C1	REAL300000318899	0	36	-2.0	-113.33	341.31	0.06	-113.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C(O)=C1	REAL300000318900	0	37	-2.0	-117.84	328.38	3.42	-114.42
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318901	0	39	-2.0	-107.34	349.13	1.11	-106.23
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(F)=C1	REAL300000318902	0	38	-2.0	-106.04	358.30	3.86	-102.18
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)S2)C1	REAL300000318904	0	40	-2.0	-108.68	366.52	2.68	-106.00
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318905	0	44	-2.0	-112.38	386.07	4.55	-107.83
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318907	0	36	-2.0	-119.19	332.13	-0.36	-119.55
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(=O)NC1=O	REAL300000318908	0	32	-2.0	-110.67	304.60	-1.09	-111.76
CC(C)OC1(CS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)CCOC1	REAL300000318909	0	43	-2.0	-109.98	352.47	1.09	-108.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C(O)=C1	REAL300000318910	0	41	-2.0	-107.80	360.42	3.64	-104.16
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=C2)=N1	REAL300000318911	0	41	-2.0	-111.37	369.26	2.11	-109.26
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)N(C)N=C1	REAL300000318912	0	35	-2.0	-107.74	325.41	1.29	-106.45
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300000318913	0	40	-2.0	-111.29	360.93	1.30	-109.99
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318914	0	34	-2.0	-95.53	332.35	4.02	-91.51
CCOC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O)C1CC1	REAL300000318915	0	39	-2.0	-108.26	339.62	2.54	-105.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C(O)=C1	REAL300000318916	0	36	-2.0	-115.79	342.70	4.01	-111.78
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1F	REAL300000318917	0	35	-2.0	-108.45	341.02	2.95	-105.50
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318918	0	42	-2.0	-110.85	366.22	3.87	-106.98
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O)C1CCCC1	REAL300000318919	0	42	-2.0	-107.14	350.03	2.90	-104.24
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O)C1CCCCC1	REAL300000318920	0	45	-2.0	-105.78	366.46	3.05	-102.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C(O)=C1	REAL300000318921	0	42	-2.0	-105.03	377.17	4.54	-100.49
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318922	0	34	-2.0	-113.79	321.44	4.30	-109.49
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CN1CC1CC1	REAL300000318923	0	42	-2.0	-117.87	375.06	4.16	-113.71
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)O1	REAL300000318924	0	35	-2.0	-102.48	333.63	1.58	-100.90
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C2C1	REAL300000318925	0	40	-2.0	-114.02	359.62	2.68	-111.34
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C(O)=C1	REAL300000318926	0	32	-2.0	-104.86	315.94	1.71	-103.15
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(C)C	REAL300000318927	0	48	-2.0	-107.48	407.65	5.26	-102.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=C1[N+](=O)[O-]	REAL300000318928	0	37	-2.0	-104.32	340.26	4.52	-99.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(O)=C1	REAL300000318929	0	37	-3.0	-183.15	345.70	4.88	-178.27
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(O)=C1	REAL300000318929	1	38	-2.0	-126.74	345.22	4.82	-121.92
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318930	0	32	-2.0	-95.04	317.82	0.83	-94.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C(O)=C1	REAL300000318931	0	28	-2.0	-102.82	293.57	0.81	-102.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C(O)=C1	REAL300000318932	0	39	-2.0	-119.13	342.29	5.61	-113.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(F)=C1F	REAL300000318933	0	32	-2.0	-110.92	308.27	2.98	-107.94
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)OC=C1	REAL300000318934	0	32	-2.0	-114.59	308.32	1.68	-112.91
CCC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C(C)C=C1OC	REAL300000318935	1	42	-2.0	-108.01	362.85	3.75	-104.26
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=N1	REAL300000318936	0	31	-2.0	-119.40	303.26	1.19	-118.21
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=N1	REAL300000318937	0	41	-2.0	-106.25	364.10	2.97	-103.28
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C(OC)C=C1F	REAL300000318938	0	39	-2.0	-106.99	363.66	2.69	-104.30
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318939	0	42	-2.0	-108.38	371.29	3.69	-104.69
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318940	0	30	-3.0	-171.76	300.87	0.90	-170.86
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318941	0	33	-2.0	-108.32	308.99	2.34	-105.98
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(C)C	REAL300000318942	0	45	-2.0	-107.99	386.15	4.46	-103.53
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318943	0	41	-2.0	-105.72	354.41	4.46	-101.26
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318944	0	30	-2.0	-100.02	303.45	2.67	-97.35
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1C(F)(F)F	REAL300000318945	0	32	-2.0	-103.22	309.34	0.83	-102.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C(O)=C1	REAL300000318946	0	31	-2.0	-106.41	299.47	1.25	-105.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C(O)=C1	REAL300000318946	1	31	-2.0	-119.76	299.36	1.40	-118.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C(O)=C1	REAL300000318947	0	33	-2.0	-115.75	309.93	2.17	-113.58
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318948	0	39	-2.0	-104.72	337.19	2.32	-102.40
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C(C)(C)C)=N1	REAL300000318949	0	41	-2.0	-105.99	344.55	2.82	-103.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C(O)=C1	REAL300000318950	0	39	-2.0	-105.73	343.60	2.56	-103.17
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(Br)=N1	REAL300000318951	0	29	-2.0	-106.10	301.39	0.41	-105.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2(COCC3=CC=CC=C3)CC2)C(O)=C1	REAL300000318952	1	43	-2.0	-117.44	383.14	4.68	-112.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C(O)=C1	REAL300000318953	0	30	-2.0	-107.44	292.37	-0.03	-107.47
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])C(O)=C1	REAL300000318953	1	29	-3.0	-187.38	288.82	0.82	-186.56
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318954	0	39	-2.0	-108.11	353.40	4.99	-103.12
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318955	0	32	-2.0	-121.10	307.20	-0.14	-121.24
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318956	0	35	-2.0	-106.61	319.05	1.37	-105.24
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318957	0	34	-2.0	-107.54	321.98	2.69	-104.85
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000318958	0	29	-2.0	-101.21	281.40	-0.44	-101.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C(O)=C1	REAL300000318959	0	32	-2.0	-102.20	312.87	3.11	-99.09
CN(C)S(=O)(=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O)C1=CC=CC=C1	REAL300000318960	0	41	-2.0	-129.98	372.79	1.27	-128.71
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1CC	REAL300000318962	0	45	-2.0	-107.15	390.73	4.72	-102.43
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000318963	0	36	-2.0	-112.23	339.94	4.16	-108.07
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318964	0	35	-2.0	-102.57	323.04	4.38	-98.19
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318965	0	29	-2.0	-98.26	295.44	-2.00	-100.26
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318966	0	43	-2.0	-124.48	376.51	1.86	-122.62
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)O1	REAL300000318967	0	42	-2.0	-111.66	348.24	2.41	-109.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C(O)=C1	REAL300000318968	0	25	-2.0	-100.79	262.93	-0.09	-100.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318970	0	35	-3.0	-165.46	332.86	2.56	-162.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C(C(N)=O)O1	REAL300000318971	0	33	-2.0	-107.62	315.70	-2.18	-109.80
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318972	0	38	-2.0	-108.50	327.85	4.71	-103.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C(O)=C1	REAL300000318973	0	29	-2.0	-102.97	296.43	2.12	-100.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C(Cl)O1	REAL300000318974	0	28	-3.0	-160.01	304.76	1.74	-158.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C(O)=C1	REAL300000318975	0	34	-2.0	-116.41	312.44	2.71	-113.70
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318976	0	36	-2.0	-109.82	337.61	2.41	-107.41
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1F	REAL300000318977	0	30	-2.0	-111.20	302.01	2.62	-108.58
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000318978	0	32	-2.0	-98.94	330.76	1.49	-97.45
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C21	REAL300000318979	0	43	-2.0	-107.02	371.75	2.28	-104.74
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C21	REAL300000318980	0	43	-2.0	-129.21	377.02	4.14	-125.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C(O)=C1	REAL300000318981	0	36	-2.0	-105.73	326.09	1.89	-103.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C(O)=C1	REAL300000318982	0	36	-2.0	-102.69	323.48	2.11	-100.58
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C(O)=C1	REAL300000318983	0	39	-2.0	-103.01	345.40	2.83	-100.18
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318984	0	42	-2.0	-118.98	380.98	3.58	-115.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)C(O)=C1	REAL300000318985	0	34	-2.0	-112.37	327.86	1.22	-111.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C(O)=C1	REAL300000318985	1	33	-3.0	-192.46	324.63	2.16	-190.30
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=NN2C1	REAL300000318986	0	40	-2.0	-113.47	351.24	0.22	-113.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C(O)=C1	REAL300000318987	0	35	-2.0	-107.03	343.03	3.11	-103.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C(O)=C1	REAL300000318988	0	35	-2.0	-106.53	326.92	-0.56	-107.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C(O)=C1	REAL300000318989	0	26	-2.0	-105.62	276.86	0.94	-104.68
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318990	0	33	-2.0	-98.30	322.07	1.75	-96.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C(O)=C1	REAL300000318991	0	36	-2.0	-109.15	320.56	2.23	-106.92
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300000318992	0	33	-2.0	-105.91	317.37	1.64	-104.27
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300000318993	1	45	-2.0	-110.42	379.74	4.25	-106.17
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318994	0	39	-2.0	-113.62	350.65	3.60	-110.02
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318995	0	32	-2.0	-104.75	299.09	2.91	-101.84
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=C2O1	REAL300000318996	0	37	-2.0	-118.67	333.62	2.81	-115.86
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000318997	0	37	-2.0	-105.14	344.87	1.87	-103.27
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C2)CC1	REAL300000318998	0	37	-2.0	-110.87	344.43	4.42	-106.45
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000318999	0	33	-2.0	-110.65	312.67	2.87	-107.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C(O)=C1	REAL300000319000	0	35	-2.0	-114.04	329.88	2.83	-111.21
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C21	REAL300000319001	0	43	-2.0	-128.86	375.75	3.84	-125.02
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C(O)=C1	REAL300000319002	0	26	-2.0	-105.72	281.62	1.64	-104.08
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319003	0	29	-2.0	-96.27	297.13	0.39	-95.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C(O)=C1	REAL300000319004	0	31	-2.0	-99.08	310.08	1.37	-97.71
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319005	0	34	-2.0	-121.99	316.88	1.81	-120.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C(O)=C1	REAL300000319006	0	30	-2.0	-97.70	291.08	1.00	-96.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C(O)=C1	REAL300000319007	0	32	-2.0	-109.82	315.03	3.65	-106.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C(O)=C1	REAL300000319008	0	32	-2.0	-121.87	321.10	1.91	-119.96
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319009	0	36	-2.0	-101.79	328.13	1.93	-99.86
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=C1F	REAL300000319010	0	38	-2.0	-106.21	332.10	4.58	-101.63
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1OC	REAL300000319011	0	37	-2.0	-113.02	331.97	2.14	-110.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C(O)=C1	REAL300000319012	0	38	-2.0	-114.06	344.51	-0.57	-114.63
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CC=C1Br	REAL300000319013	0	30	-2.0	-99.21	316.71	3.10	-96.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C(O)=C1	REAL300000319014	0	32	-2.0	-110.51	305.96	2.49	-108.02
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1OC	REAL300000319015	0	37	-2.0	-115.99	335.68	2.53	-113.46
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C2CCCC2)=N1	REAL300000319016	0	42	-2.0	-109.75	364.94	3.11	-106.64
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C2CC2)=N1	REAL300000319017	0	36	-2.0	-109.00	331.49	2.15	-106.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C(O)=C1	REAL300000319018	0	33	-2.0	-107.80	315.45	1.79	-106.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C(O)=C1	REAL300000319019	0	32	-2.0	-115.57	305.63	1.40	-114.17
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=CC=C21	REAL300000319020	0	34	-2.0	-124.51	320.74	0.61	-123.90
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=C21	REAL300000319021	0	36	-2.0	-109.52	316.86	4.17	-105.35
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CN=C1N	REAL300000319022	0	33	-2.0	-107.77	304.20	-0.08	-107.85
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319023	0	29	-2.0	-105.41	293.48	-1.92	-107.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C(O)=C1	REAL300000319025	0	35	-2.0	-101.48	344.43	3.34	-98.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C(O)=C1	REAL300000319026	0	32	-2.0	-106.60	309.92	2.59	-104.01
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C2CCC2)=N1	REAL300000319027	0	39	-2.0	-109.12	347.72	2.61	-106.51
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319028	0	47	-2.0	-112.77	390.43	6.12	-106.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C(O)=C1	REAL300000319029	0	26	-2.0	-105.42	282.03	1.74	-103.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C(O)=C1	REAL300000319030	0	39	-2.0	-106.58	350.19	2.85	-103.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C(O)=C1	REAL300000319031	0	33	-2.0	-112.70	314.31	3.33	-109.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C(O)=C1	REAL300000319032	0	40	-2.0	-114.82	374.69	5.02	-109.80
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000319033	0	42	-2.0	-117.53	366.00	0.61	-116.92
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C2=NC=CC=C2C=C1	REAL300000319034	0	38	-2.0	-132.68	341.61	3.41	-129.27
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319035	0	38	-2.0	-109.82	340.58	4.42	-105.40
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319036	0	35	-2.0	-99.52	331.47	0.62	-98.90
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319037	0	36	-2.0	-105.60	321.88	1.74	-103.86
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C(O)=C1	REAL300000319038	0	33	-2.0	-95.43	332.64	3.55	-91.88
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319039	0	35	-2.0	-108.74	306.32	3.88	-104.86
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319040	0	38	-2.0	-100.56	323.18	2.12	-98.44
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000319041	0	38	-2.0	-106.84	340.69	1.92	-104.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C(O)=C1	REAL300000319042	0	36	-2.0	-106.37	324.78	1.30	-105.07
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=CN=C1C(F)(F)F	REAL300000319043	0	34	-2.0	-98.48	327.11	2.03	-96.45
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000319044	0	40	-2.0	-105.42	350.46	3.03	-102.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C(O)=C1	REAL300000319045	0	31	-2.0	-93.31	315.21	2.95	-90.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C(O)=C1	REAL300000319046	0	32	-2.0	-99.33	321.34	3.28	-96.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C(O)=C1	REAL300000319047	0	32	-2.0	-108.13	304.19	3.03	-105.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C(O)=C1	REAL300000319048	0	29	-2.0	-107.44	297.75	2.57	-104.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C(O)=C1	REAL300000319049	0	29	-2.0	-100.17	307.92	2.32	-97.85
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319050	0	32	-2.0	-101.24	298.39	0.43	-100.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C(O)=C1	REAL300000319052	0	32	-2.0	-98.69	328.09	3.63	-95.06
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1C	REAL300000319053	0	35	-2.0	-109.79	308.69	3.51	-106.28
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C(O)=C1	REAL300000319054	0	32	-2.0	-106.70	303.98	3.24	-103.46
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319055	0	40	-2.0	-117.66	360.77	4.24	-113.42
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300000319057	0	39	-2.0	-111.27	356.44	3.89	-107.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C(O)=C1	REAL300000319058	0	35	-2.0	-103.86	338.62	3.24	-100.62
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319059	0	34	-2.0	-105.96	334.98	2.68	-103.28
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000319060	0	38	-2.0	-108.87	354.61	3.86	-105.01
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1Cl	REAL300000319061	0	30	-2.0	-108.51	308.81	3.05	-105.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)C(O)=C1	REAL300000319062	0	38	-2.0	-115.47	350.35	2.17	-113.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C(O)=C1	REAL300000319063	0	29	-2.0	-107.75	296.19	2.45	-105.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C(O)=C1	REAL300000319064	0	36	-2.0	-110.05	325.41	4.31	-105.74
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=CS1	REAL300000319065	0	30	-2.0	-112.11	298.46	0.66	-111.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C(O)=C1	REAL300000319066	0	32	-2.0	-106.93	308.48	3.65	-103.28
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319067	0	35	-2.0	-103.64	341.17	2.52	-101.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C(O)=C1	REAL300000319068	0	36	-2.0	-111.22	330.90	4.38	-106.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C(O)=C1	REAL300000319069	0	39	-2.0	-103.27	341.01	2.82	-100.45
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319070	0	38	-2.0	-102.61	336.15	2.10	-100.51
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000319071	0	38	-2.0	-114.80	347.43	-0.28	-115.08
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319072	0	32	-2.0	-113.87	330.13	-1.30	-115.17
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C2=N1	REAL300000319073	0	34	-2.0	-117.34	319.79	0.56	-116.78
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)O1	REAL300000319074	0	32	-2.0	-107.24	302.27	1.81	-105.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C(O)=C1	REAL300000319075	0	29	-2.0	-100.36	300.05	1.43	-98.93
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319076	0	33	-2.0	-104.99	317.14	2.12	-102.87
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C2CCOCC2)=N1	REAL300000319077	0	43	-2.0	-108.15	374.53	1.34	-106.81
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319078	0	35	-2.0	-107.90	329.40	3.74	-104.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C(O)=C1	REAL300000319079	0	33	-2.0	-108.00	315.45	1.79	-106.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000319081	0	30	-2.0	-105.12	299.97	0.65	-104.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C2=NC=CC=C12	REAL300000319082	0	40	-2.0	-125.43	347.61	4.51	-120.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C(O)=C1	REAL300000319084	0	32	-2.0	-103.80	308.87	0.91	-102.89
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319085	0	39	-2.0	-110.81	353.11	2.89	-107.92
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1Cl	REAL300000319086	0	32	-2.0	-103.30	327.87	1.67	-101.63
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319087	0	39	-2.0	-103.38	355.87	3.40	-99.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C(O)=C1	REAL300000319088	0	42	-2.0	-105.32	362.58	3.15	-102.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C(O)=C1	REAL300000319089	0	40	-2.0	-105.41	364.89	5.06	-100.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C(O)=C1	REAL300000319090	0	32	-2.0	-111.35	296.76	3.17	-108.18
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319091	0	41	-2.0	-114.67	364.84	5.13	-109.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C(O)=C1	REAL300000319092	0	32	-2.0	-110.50	301.69	2.60	-107.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C(O)=C1	REAL300000319093	0	31	-2.0	-109.92	307.14	1.61	-108.31
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=N1	REAL300000319094	0	31	-2.0	-105.25	296.90	-0.92	-106.17
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1Cl	REAL300000319095	0	32	-2.0	-103.82	317.85	1.13	-102.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C(O)=C1	REAL300000319097	0	31	-2.0	-101.64	317.21	1.49	-100.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C(O)=C1	REAL300000319098	0	34	-2.0	-120.23	332.66	3.38	-116.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C(O)=C1	REAL300000319099	0	26	-2.0	-101.40	275.94	0.83	-100.57
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C(O)=C1	REAL300000319100	0	34	-2.0	-116.45	329.40	3.17	-113.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C2=CC=CC=C12	REAL300000319101	0	38	-2.0	-117.38	334.96	5.05	-112.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)C(O)=C1	REAL300000319102	0	36	-2.0	-108.68	334.13	2.58	-106.10
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300000319103	0	43	-2.0	-105.46	380.33	3.69	-101.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C(O)=C1	REAL300000319104	0	29	-2.0	-103.26	303.71	2.82	-100.44
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)O1	REAL300000319105	0	35	-2.0	-117.37	339.82	-1.49	-118.86
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C2=CC=CC=C2)=N1	REAL300000319106	0	39	-2.0	-111.02	353.61	3.62	-107.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C(O)=C1	REAL300000319110	0	33	-2.0	-108.04	320.01	3.52	-104.52
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1[N+](=O)[O-]	REAL300000319111	0	32	-2.0	-98.91	321.65	3.02	-95.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C(O)=C1	REAL300000319113	0	25	-2.0	-97.97	280.12	0.63	-97.34
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000319114	0	39	-2.0	-108.23	362.87	4.10	-104.13
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=NN1	REAL300000319115	0	35	-2.0	-106.03	336.56	0.01	-106.02
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1OC	REAL300000319116	0	34	-2.0	-109.65	329.14	0.23	-109.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C(O)=C1	REAL300000319117	0	29	-3.0	-159.73	312.78	1.24	-158.49
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C(O)=C1	REAL300000319117	1	30	-2.0	-91.10	311.70	0.81	-90.29
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C(O)=C1	REAL300000319118	0	28	-2.0	-94.60	293.82	0.84	-93.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C(O)=C1	REAL300000319119	0	33	-2.0	-107.34	324.42	3.19	-104.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C(O)=C1	REAL300000319120	0	33	-2.0	-106.81	321.68	1.85	-104.96
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319121	0	35	-2.0	-105.54	319.59	2.22	-103.32
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300000319122	0	36	-2.0	-114.97	329.91	3.97	-111.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C(O)=C1	REAL300000319123	0	32	-2.0	-110.64	306.88	3.60	-107.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C(O)=C1	REAL300000319124	0	38	-2.0	-103.81	355.06	2.69	-101.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C(O)=C1	REAL300000319125	0	26	-2.0	-97.47	301.27	2.30	-95.17
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1Cl	REAL300000319126	0	29	-2.0	-103.52	296.07	0.27	-103.25
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319127	0	42	-2.0	-109.07	368.35	4.59	-104.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C(O)=C1	REAL300000319128	0	34	-2.0	-105.91	328.87	2.88	-103.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C(O)=C1	REAL300000319129	0	40	-2.0	-110.65	364.94	5.05	-105.60
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319130	0	35	-2.0	-120.14	314.02	4.03	-116.11
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)OC=C1	REAL300000319131	0	27	-2.0	-108.19	280.35	0.66	-107.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C(O)=C1	REAL300000319132	0	34	-2.0	-106.09	331.05	0.80	-105.29
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C(O)=C1	REAL300000319133	0	30	-2.0	-108.93	317.69	1.00	-107.93
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000319134	0	38	-2.0	-111.21	358.11	1.26	-109.95
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)S1	REAL300000319134	1	37	-3.0	-168.24	354.82	0.13	-168.11
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319135	0	31	-2.0	-100.12	303.94	1.60	-98.52
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319136	0	40	-2.0	-111.16	359.52	3.82	-107.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C2CC2)=N1	REAL300000319137	0	39	-2.0	-109.23	353.00	3.00	-106.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C2=NSN=C2C=C1	REAL300000319138	0	33	-2.0	-114.67	314.43	1.55	-113.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C(O)=C1	REAL300000319139	0	35	-2.0	-106.44	338.83	4.99	-101.45
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(=O)NC(=O)N1	REAL300000319140	0	32	-2.0	-109.65	298.89	-1.81	-111.46
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C(Cl)S1	REAL300000319141	0	32	-2.0	-112.35	332.51	3.13	-109.22
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319142	0	42	-2.0	-105.52	364.09	3.35	-102.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(O)=C1	REAL300000319143	0	26	-2.0	-104.67	274.96	0.71	-103.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C(O)=C1	REAL300000319144	0	26	-2.0	-102.04	285.00	1.72	-100.32
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319145	0	43	-2.0	-116.26	381.02	2.50	-113.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C(O)=C1	REAL300000319146	0	35	-2.0	-111.95	335.04	5.05	-106.90
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319147	0	37	-2.0	-102.66	328.50	-0.06	-102.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C(O)=C1	REAL300000319148	0	36	-2.0	-112.51	319.75	4.37	-108.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C)=N1	REAL300000319152	0	35	-2.0	-102.17	319.04	-0.36	-102.53
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319153	0	35	-2.0	-112.10	323.60	0.04	-112.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C(O)=C1	REAL300000319154	0	44	-2.0	-106.50	378.09	2.59	-103.91
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319155	0	32	-2.0	-106.33	318.91	-0.12	-106.45
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300000319156	0	35	-2.0	-102.81	323.50	-0.38	-103.19
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300000319157	0	38	-2.0	-105.36	339.15	2.35	-103.01
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319158	0	38	-2.0	-106.88	341.61	1.87	-105.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C(O)=C1	REAL300000319159	0	28	-2.0	-105.19	303.53	0.19	-105.00
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=CO1	REAL300000319160	0	27	-2.0	-107.33	279.15	0.62	-106.71
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)SC=C1	REAL300000319161	0	27	-2.0	-110.62	288.25	1.54	-109.08
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319163	0	35	-2.0	-101.93	317.92	1.47	-100.46
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300000319164	0	37	-2.0	-100.57	342.97	1.58	-98.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(O)=C1	REAL300000319165	0	38	-3.0	-168.52	350.78	4.65	-163.87
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(O)=C1	REAL300000319165	1	39	-2.0	-99.33	350.78	4.59	-94.74
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319166	0	32	-2.0	-113.51	318.07	4.01	-109.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C(O)=C1	REAL300000319167	0	36	-2.0	-101.58	328.41	2.34	-99.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C(O)=C1	REAL300000319168	0	36	-2.0	-106.84	329.91	3.35	-103.49
COC1=NOC(CS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319169	0	32	-2.0	-104.68	307.25	-1.48	-106.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=NN1C(C)C	REAL300000319170	0	38	-2.0	-107.88	340.68	1.94	-105.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C(O)=C1	REAL300000319171	0	36	-2.0	-114.79	336.07	4.41	-110.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C(O)=C1	REAL300000319172	0	31	-2.0	-103.49	303.54	1.24	-102.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)C(O)=C1	REAL300000319173	0	29	-2.0	-107.02	314.84	-1.60	-108.62
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300000319175	0	43	-2.0	-106.86	385.78	5.77	-101.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C(O)=C1	REAL300000319176	0	36	-2.0	-109.94	337.70	4.44	-105.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C(O)=C1	REAL300000319177	0	33	-2.0	-109.76	326.65	2.67	-107.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(O)=C1	REAL300000319178	0	38	-3.0	-172.34	348.74	4.64	-167.70
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(O)=C1	REAL300000319178	1	39	-2.0	-106.01	350.08	4.59	-101.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C(O)=C1	REAL300000319179	0	30	-2.0	-109.12	287.21	-0.65	-109.77
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319180	0	38	-2.0	-113.88	342.97	4.21	-109.67
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C(O)=C1	REAL300000319181	0	32	-2.0	-117.25	315.86	3.20	-114.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C(O)=C1	REAL300000319182	0	25	-2.0	-99.46	261.84	-0.18	-99.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C(O)=C1	REAL300000319183	0	33	-2.0	-118.54	324.08	1.47	-117.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C(O)=C1	REAL300000319184	0	36	-2.0	-114.34	332.02	4.50	-109.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(Cl)=C1Cl	REAL300000319185	0	32	-2.0	-107.81	323.25	3.81	-104.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C(O)=C1	REAL300000319186	0	33	-2.0	-103.15	327.67	2.06	-101.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C(O)=C1	REAL300000319187	0	36	-2.0	-107.42	344.10	3.26	-104.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C(C(F)F)=C1	REAL300000319188	0	36	-2.0	-114.38	326.63	2.78	-111.60
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C1C(=O)OC	REAL300000319189	0	42	-2.0	-106.80	380.13	3.83	-102.97
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3O)C=C2C1	REAL300000319190	0	42	-2.0	-111.82	375.56	4.73	-107.09
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319191	0	34	-2.0	-115.54	316.98	1.79	-113.75
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319192	0	35	-2.0	-105.17	341.29	0.39	-104.78
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1O	REAL300000319193	0	35	-2.0	-125.55	325.53	3.75	-121.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C2=NC=CC=C12	REAL300000319194	0	37	-2.0	-125.00	333.90	3.37	-121.63
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C(C(=O)[O-])O1	REAL300000319195	0	34	-3.0	-167.62	326.77	2.76	-164.86
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319196	0	42	-2.0	-118.15	365.64	4.21	-113.94
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)C=C(Cl)S1	REAL300000319197	0	29	-2.0	-101.62	301.44	2.61	-99.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C(O)=C1	REAL300000319198	0	25	-2.0	-103.54	262.78	-0.68	-104.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C(O)=C1	REAL300000319199	0	36	-2.0	-108.16	321.92	1.53	-106.63
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300000319200	0	32	-2.0	-113.14	303.10	2.93	-110.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)N2CCCC2)C=C1	REAL300000319201	1	44	-2.0	-96.18	379.87	6.07	-90.11
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)N2CCCC2)=C1	REAL300000319202	0	44	-2.0	-110.20	380.10	6.06	-104.14
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)N2CCCC2)=C1	REAL300000319203	0	41	-2.0	-103.93	373.08	5.07	-98.86
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)N2CCCC2)C=C1C(=O)[O-]	REAL300000319204	0	45	-2.0	-107.87	386.53	5.40	-102.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)N2CCCC2)=CS1	REAL300000319205	0	41	-2.0	-103.69	371.54	5.10	-98.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)N2CCCC2)C=C(C(=O)[O-])O1	REAL300000319206	0	44	-2.0	-101.98	383.73	5.18	-96.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)N2CCCC2)S1	REAL300000319207	0	41	-2.0	-97.53	372.15	5.19	-92.34
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2NC(=O)N2CCCC2)=C1	REAL300000319208	0	43	-2.0	-107.06	376.86	4.11	-102.95
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300000319209	1	45	-2.0	-88.58	391.43	4.43	-84.15
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1	REAL300000319211	0	46	-2.0	-106.22	394.59	6.93	-99.29
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1	REAL300000319214	0	42	-2.0	-113.12	363.11	5.65	-107.47
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000319217	0	38	-2.0	-102.75	348.05	6.42	-96.33
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000319220	0	38	-2.0	-104.28	340.46	5.91	-98.37
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000319222	0	35	-2.0	-101.24	328.16	4.86	-96.38
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000319225	1	39	-2.0	-105.74	341.62	5.20	-100.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2)=C1	REAL300000319227	0	38	-2.0	-97.39	344.11	5.53	-91.86
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000319229	1	35	-2.0	-102.66	326.62	4.88	-97.78
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1	REAL300000319235	0	45	-2.0	-113.45	385.40	6.40	-107.05
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000319236	0	41	-2.0	-108.85	366.66	6.41	-102.44
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000319238	0	38	-2.0	-101.43	338.00	4.98	-96.45
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2)=C1	REAL300000319240	0	42	-2.0	-108.11	363.93	4.94	-103.17
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000319242	1	38	-2.0	-99.91	352.56	6.43	-93.48
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1	REAL300000319245	1	41	-2.0	-99.14	355.69	6.65	-92.49
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000319248	1	38	-2.0	-104.96	343.60	5.74	-99.22
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000319249	1	38	-2.0	-92.10	348.02	6.41	-85.69
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000319251	0	35	-2.0	-96.45	327.24	4.97	-91.48
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000319252	1	38	-2.0	-97.83	341.37	5.91	-91.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2)=C1F	REAL300000319253	0	41	-2.0	-105.68	360.74	6.55	-99.13
COC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000319254	0	42	-2.0	-97.04	375.27	6.47	-90.57
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000319255	0	38	-2.0	-93.86	340.43	5.92	-87.94
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1	REAL300000319258	1	46	-2.0	-91.34	398.72	7.26	-84.08
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000319259	1	38	-2.0	-95.98	345.80	5.94	-90.04
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000319260	1	40	-2.0	-91.86	363.17	6.52	-85.34
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000319261	0	39	-2.0	-107.68	344.70	3.55	-104.13
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000319261	1	39	-2.0	-104.80	343.94	4.34	-100.46
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000319268	1	40	-2.0	-105.59	361.62	6.94	-98.65
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000319269	0	38	-2.0	-95.91	346.73	5.97	-89.94
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000319271	0	41	-2.0	-105.56	356.42	6.45	-99.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2)=C1Cl	REAL300000319272	0	41	-2.0	-104.57	366.74	6.98	-97.59
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2)=C1	REAL300000319273	0	41	-2.0	-111.69	359.98	6.54	-105.15
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000319278	1	42	-2.0	-106.97	362.99	6.06	-100.91
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1	REAL300000319281	1	47	-2.0	-104.56	384.84	7.98	-96.58
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000319282	1	42	-2.0	-108.88	375.29	6.48	-102.40
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300000319284	0	43	-2.0	-98.76	375.46	7.99	-90.77
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000319286	0	40	-2.0	-114.12	358.73	7.71	-106.41
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000319287	0	38	-2.0	-111.18	338.63	5.88	-105.30
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000319289	1	44	-2.0	-115.56	376.01	7.97	-107.59
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000319290	0	37	-2.0	-104.68	331.19	3.96	-100.72
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1	REAL300000319291	0	42	-2.0	-98.84	363.17	5.64	-93.20
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000319292	0	35	-2.0	-95.15	335.12	4.83	-90.32
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000319295	0	41	-2.0	-101.50	357.10	5.84	-95.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCOCC3)=C2)C=C1	REAL300000319296	1	43	-2.0	-99.89	371.81	4.52	-95.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCOCC3)=C2)=C1	REAL300000319297	1	43	-2.0	-111.46	371.82	4.51	-106.95
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCOCC3)=C2)=C1	REAL300000319298	0	40	-2.0	-98.34	365.84	3.56	-94.78
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCOCC3)=C2)C=C1C(=O)[O-]	REAL300000319299	0	44	-2.0	-110.12	378.46	3.87	-106.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCOCC3)=C2)=CS1	REAL300000319300	0	40	-2.0	-108.00	362.01	3.48	-104.52
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCOCC3)=C2)C=C(C(=O)[O-])O1	REAL300000319301	0	43	-2.0	-99.50	374.82	3.65	-95.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCOCC3)=C2)S1	REAL300000319302	0	40	-2.0	-100.80	364.92	3.67	-97.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCOCC3)=C2)=C1	REAL300000319303	0	42	-2.0	-107.87	368.80	2.57	-105.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCOCC3)C=C2)C=C1	REAL300000319304	1	43	-2.0	-95.23	372.48	4.55	-90.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCOCC3)C=C2)=C1	REAL300000319305	1	43	-2.0	-103.54	371.70	4.51	-99.03
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCOCC3)C=C2)=C1	REAL300000319306	0	40	-2.0	-98.47	365.69	3.55	-94.92
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000319307	0	44	-2.0	-102.26	378.33	3.87	-98.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCOCC3)C=C2)=CS1	REAL300000319308	0	40	-2.0	-99.76	364.16	3.56	-96.20
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCOCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000319309	0	43	-2.0	-98.04	374.72	3.66	-94.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCOCC3)C=C2)S1	REAL300000319310	0	40	-2.0	-94.15	363.94	3.64	-90.51
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCOCC3)C=C2)=C1	REAL300000319311	0	42	-2.0	-102.47	368.72	2.66	-99.81
CNC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000319319	1	35	-2.0	-117.65	343.54	3.91	-113.74
CNC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000319321	1	32	-2.0	-113.78	331.26	2.87	-110.91
CNC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000319326	1	35	-2.0	-109.67	347.18	3.53	-106.14
CNC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000319335	1	32	-2.0	-108.40	330.33	2.97	-105.43
CNC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000319337	1	35	-2.0	-105.93	343.54	3.92	-102.01
CNC(=O)C1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000319338	0	36	-2.0	-119.15	345.32	2.41	-116.74
CNC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000319347	1	35	-2.0	-122.55	341.70	3.87	-118.68
CNC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000319348	0	34	-2.0	-117.80	335.05	1.90	-115.90
CNC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000319350	1	32	-2.0	-107.18	338.18	2.82	-104.36
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000319352	1	41	-2.0	-115.54	369.08	5.95	-109.59
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000319354	1	41	-2.0	-118.23	364.15	5.92	-112.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(=O)N(C)C)C=C1	REAL300000319355	0	45	-2.0	-124.20	392.69	5.72	-118.48
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000319356	1	45	-2.0	-106.06	395.62	7.22	-98.84
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000319358	0	41	-2.0	-113.88	377.21	6.50	-107.38
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000319359	1	41	-2.0	-114.20	377.46	6.29	-107.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CC(=O)N(C)C)C=C2)=C1C	REAL300000319360	1	47	-2.0	-121.31	397.59	7.25	-114.06
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000319361	0	41	-2.0	-116.34	370.43	5.97	-110.37
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000319362	1	47	-2.0	-105.32	408.11	7.51	-97.81
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000319363	0	38	-2.0	-112.88	358.14	4.92	-107.96
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(=O)N(C)C)C=C1	REAL300000319364	1	44	-2.0	-118.96	379.57	6.72	-112.24
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000319366	1	42	-2.0	-116.63	370.79	5.29	-111.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(CC(=O)N(C)C)C=C2)=C1	REAL300000319368	0	41	-2.0	-109.88	373.28	5.60	-104.28
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000319370	0	38	-2.0	-114.09	355.82	4.95	-109.14
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(=O)N(C)C)C=C1	REAL300000319372	1	47	-2.0	-117.45	394.69	7.64	-109.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)N(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000319373	0	41	-2.0	-112.11	368.20	5.08	-107.03
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(CC(=O)N(C)C)C=C2)=C1	REAL300000319374	0	45	-2.0	-121.61	393.51	5.01	-116.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(=O)N(C)C)C=C1	REAL300000319375	1	44	-2.0	-109.86	385.66	6.73	-103.13
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)N(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000319376	1	41	-2.0	-115.57	373.15	5.82	-109.75
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000319377	0	41	-2.0	-103.71	377.19	6.49	-97.22
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000319378	1	41	-2.0	-106.07	369.49	5.95	-100.12
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000319379	0	38	-2.0	-108.45	356.44	5.05	-103.40
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000319380	1	41	-2.0	-109.49	371.36	5.98	-103.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CC(=O)N(C)C)C=C2)=C1F	REAL300000319381	0	44	-2.0	-117.47	389.90	6.64	-110.83
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000319382	0	41	-2.0	-105.97	369.60	6.00	-99.97
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000319383	1	41	-2.0	-104.04	377.70	6.35	-97.69
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000319384	1	41	-2.0	-108.91	376.03	6.04	-102.87
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000319385	0	42	-2.0	-118.30	374.26	3.64	-114.66
CN(C)C(=O)CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000319385	1	42	-2.0	-111.55	373.07	4.42	-107.13
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000319386	1	44	-2.0	-110.19	386.72	6.70	-103.49
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(=O)N(C)C)C=C1	REAL300000319387	1	44	-2.0	-117.15	377.96	6.67	-110.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(=O)N(C)C)C=C2)=CC(C(=O)[O-])=C1F	REAL300000319388	1	44	-2.0	-119.49	389.79	6.56	-112.93
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000319391	0	41	-2.0	-107.79	376.30	6.05	-101.74
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000319393	0	44	-2.0	-117.35	386.03	6.53	-110.82
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(CC(=O)N(C)C)C=C2)=C1	REAL300000319394	0	44	-2.0	-125.97	390.21	6.63	-119.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000319396	1	45	-2.0	-118.32	393.22	6.16	-112.16
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000319399	0	41	-2.0	-124.80	367.80	5.96	-118.84
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000319400	1	44	-2.0	-112.63	389.10	6.60	-106.03
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000319401	0	40	-2.0	-116.79	361.17	4.02	-112.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(=O)N(C)C)C=C1	REAL300000319402	0	45	-2.0	-110.73	392.37	5.72	-105.01
CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000319403	0	38	-2.0	-106.12	364.70	4.90	-101.22
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)N(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000319404	0	44	-2.0	-112.05	387.08	5.90	-106.15
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000319405	0	38	-2.0	-88.81	349.11	0.37	-88.44
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000319406	0	31	-2.0	-104.95	297.18	1.81	-103.14
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC	REAL300000319407	0	39	-2.0	-105.61	352.27	2.88	-102.73
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000319408	0	31	-2.0	-101.72	309.07	2.50	-99.22
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000319409	0	31	-2.0	-95.12	292.63	1.79	-93.33
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000319410	0	31	-2.0	-107.45	292.65	1.78	-105.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC	REAL300000319411	0	35	-2.0	-112.20	320.79	1.58	-110.62
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000319412	0	31	-2.0	-102.97	308.89	2.27	-100.70
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000319413	0	35	-2.0	-94.67	324.10	3.08	-91.59
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000319414	0	34	-2.0	-108.56	308.67	2.32	-106.24
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000319415	0	31	-2.0	-102.48	305.72	2.36	-100.12
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000319416	0	31	-2.0	-103.33	305.15	2.18	-101.15
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000319417	0	31	-2.0	-98.19	318.22	2.74	-95.45
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000319418	0	37	-2.0	-109.39	325.75	3.11	-106.28
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000319419	0	31	-2.0	-104.25	298.12	1.85	-102.40
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000319420	0	37	-2.0	-93.88	336.21	3.38	-90.50
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000319421	0	28	-2.0	-101.90	285.84	0.82	-101.08
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000319422	0	34	-2.0	-107.56	308.08	2.57	-104.99
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000319423	0	35	-2.0	-93.39	323.71	2.07	-91.32
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000319424	0	42	-2.0	-90.17	369.49	2.84	-87.33
COC1=NC=CC=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000319425	0	28	-2.0	-98.30	302.83	1.58	-96.72
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000319426	0	32	-2.0	-105.77	299.29	1.14	-104.63
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000319427	0	35	-2.0	-107.91	316.85	0.61	-107.30
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000319428	0	31	-2.0	-97.98	301.78	1.47	-96.51
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000319429	0	37	-2.0	-110.18	328.10	3.22	-106.96
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000319430	0	28	-2.0	-103.32	284.30	0.83	-102.49
COC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC)=CC(C(=O)[O-])=C1OC	REAL300000319431	0	39	-2.0	-108.04	350.98	1.59	-106.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC)C=C1C(=O)[O-]	REAL300000319432	0	35	-2.0	-113.31	319.94	1.85	-111.46
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000319433	0	41	-2.0	-111.50	347.89	4.42	-107.08
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000319434	0	40	-2.0	-109.74	346.55	3.80	-105.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC	REAL300000319435	0	37	-2.0	-105.55	322.77	3.51	-102.04
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC	REAL300000319436	0	38	-2.0	-113.30	343.08	2.35	-110.95
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000319437	0	33	-3.0	-182.54	321.05	2.35	-180.19
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000319438	0	38	-2.0	-111.80	336.90	3.68	-108.12
COC1=NC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000319439	0	31	-2.0	-100.94	295.66	0.93	-100.01
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000319440	0	37	-2.0	-112.34	334.82	1.57	-110.77
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000319441	0	35	-2.0	-109.06	321.57	0.88	-108.18
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000319442	0	39	-2.0	-93.94	345.56	2.39	-91.55
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000319443	0	31	-2.0	-97.23	320.32	2.64	-94.59
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000319444	0	31	-2.0	-99.27	310.24	2.37	-96.90
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000319445	0	35	-2.0	-91.98	339.75	2.61	-89.37
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000319446	0	38	-2.0	-93.87	343.81	2.78	-91.09
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000319447	0	41	-2.0	-92.73	372.40	3.04	-89.69
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000319448	0	34	-2.0	-98.68	312.94	2.63	-96.05
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000319449	0	44	-2.0	-93.96	386.26	3.71	-90.25
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000319450	0	35	-2.0	-92.96	329.94	2.13	-90.83
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC)C=C1C(=O)[O-]	REAL300000319451	0	38	-2.0	-114.02	341.78	2.76	-111.26
COC1=NC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000319452	0	31	-2.0	-104.14	301.27	1.68	-102.46
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000319453	0	31	-2.0	-96.40	320.88	2.81	-93.59
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000319454	0	31	-2.0	-92.62	305.70	2.36	-90.26
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000319455	0	31	-2.0	-92.05	309.05	2.49	-89.56
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000319456	0	31	-2.0	-94.65	297.18	1.83	-92.82
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000319457	0	28	-2.0	-96.89	284.91	0.91	-95.98
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000319458	0	31	-2.0	-98.39	299.05	1.85	-96.54
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000319459	0	34	-2.0	-105.68	318.41	2.49	-103.19
COC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC)=C(Cl)C=C1C(=O)[O-]	REAL300000319460	0	35	-2.0	-97.37	332.96	2.42	-94.95
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000319461	0	31	-2.0	-94.65	298.11	1.87	-92.78
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000319462	0	31	-2.0	-92.74	305.15	2.19	-90.55
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000319463	0	34	-2.0	-100.33	321.67	3.01	-97.32
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000319464	0	39	-2.0	-91.54	356.38	3.20	-88.34
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000319465	0	31	-2.0	-92.29	308.89	2.28	-90.01
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000319466	0	31	-2.0	-96.62	303.47	1.88	-94.74
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000319467	0	33	-2.0	-92.63	320.84	2.45	-90.18
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000319468	0	31	-3.0	-202.83	298.79	0.39	-202.44
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000319469	0	34	-2.0	-98.36	314.82	2.57	-95.79
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000319470	0	31	-2.0	-98.08	313.35	2.32	-95.76
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000319471	0	34	-2.0	-103.98	302.69	2.42	-101.56
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000319472	0	34	-2.0	-106.41	317.48	2.44	-103.97
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000319473	0	34	-2.0	-95.17	308.06	2.57	-92.60
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000319474	0	37	-2.0	-110.61	325.55	2.85	-107.76
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000319475	0	33	-2.0	-105.98	319.21	2.88	-103.10
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000319476	0	31	-2.0	-96.14	304.39	1.91	-94.23
COC1=NC=CC=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000319477	0	28	-2.0	-94.80	305.23	1.48	-93.32
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000319478	0	37	-2.0	-108.17	327.13	3.17	-105.00
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000319479	0	34	-2.0	-106.53	317.96	2.48	-104.05
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000319480	0	34	-2.0	-104.20	324.41	2.92	-101.28
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000319481	0	34	-2.0	-112.84	317.66	2.48	-110.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC)C=C1C(=O)[O-]	REAL300000319482	0	37	-2.0	-109.29	326.97	2.97	-106.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC)C=C1CC(=O)[O-]	REAL300000319483	0	38	-2.0	-110.38	343.11	1.92	-108.46
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000319484	0	34	-2.0	-97.22	318.91	2.96	-94.26
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000319485	0	34	-2.0	-91.75	322.77	2.59	-89.16
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000319486	0	34	-2.0	-105.19	323.87	2.74	-102.45
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000319487	0	31	-2.0	-100.28	313.94	2.40	-97.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2OC)C=C1C(=O)[O-]	REAL300000319488	0	35	-2.0	-107.08	320.67	2.01	-105.07
COC1=NC=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000319489	0	43	-2.0	-108.46	357.80	4.66	-103.80
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000319490	0	31	-2.0	-94.87	318.24	2.35	-92.52
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000319491	0	35	-2.0	-94.24	337.35	2.08	-92.16
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000319492	0	34	-2.0	-100.82	322.51	2.75	-98.07
COC1=NC=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000319493	0	40	-2.0	-103.46	342.53	3.88	-99.58
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CN=C2OC)C=C1C(=O)[O-]	REAL300000319494	0	35	-2.0	-108.00	332.97	2.41	-105.59
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000319495	0	34	-2.0	-95.24	308.66	2.34	-92.90
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000319496	0	36	-2.0	-99.29	335.90	3.97	-95.32
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000319497	0	34	-2.0	-105.34	312.18	2.63	-102.71
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000319498	0	33	-2.0	-115.13	316.38	3.64	-111.49
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000319499	0	31	-2.0	-112.04	296.29	1.81	-110.23
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000319500	0	34	-2.0	-99.15	313.81	2.36	-96.79
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000319501	0	37	-2.0	-115.78	333.68	3.91	-111.87
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000319502	0	30	-2.0	-105.20	288.86	-0.09	-105.29
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1OC	REAL300000319503	0	35	-2.0	-99.17	320.85	1.59	-97.58
COC1=NC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000319504	0	28	-2.0	-95.22	292.75	0.76	-94.46
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000319505	0	35	-2.0	-102.88	336.43	2.33	-100.55
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000319506	0	34	-2.0	-98.87	335.99	-1.17	-100.04
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000319507	0	38	-2.0	-101.42	338.77	3.67	-97.75
COC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000319508	0	38	-2.0	-104.98	336.74	3.66	-101.32
CCC1=C(S(=O)(=O)[N-]C2=CC=CN=C2OC)C=C(C(=O)[O-])O1	REAL300000319509	0	34	-2.0	-100.61	314.78	1.78	-98.83
CCC(=O)NC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000319513	1	35	-2.0	-101.21	351.18	4.31	-96.90
CCC(=O)NC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000319518	1	35	-2.0	-96.92	350.26	4.41	-92.51
CCC(=O)NC1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000319519	0	39	-2.0	-109.34	361.88	3.86	-105.48
CCC(=O)NC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000319525	0	37	-2.0	-105.01	354.25	3.42	-101.59
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1F	REAL300000319526	1	39	-2.0	-88.73	357.89	2.95	-85.78
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000319527	1	32	-2.0	-104.56	305.96	4.39	-100.17
COC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1F	REAL300000319528	0	40	-2.0	-100.94	361.04	5.46	-95.48
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000319530	1	32	-2.0	-107.01	301.42	4.35	-102.66
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300000319531	0	36	-2.0	-107.04	329.56	4.15	-102.89
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000319532	1	36	-2.0	-94.65	332.88	5.67	-88.98
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1F	REAL300000319534	0	32	-2.0	-103.53	314.49	4.94	-98.59
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000319535	1	32	-2.0	-102.89	313.93	4.76	-98.13
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=C1F	REAL300000319536	0	32	-2.0	-99.08	327.00	5.31	-93.77
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000319537	1	38	-2.0	-104.91	334.10	5.71	-99.20
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000319538	0	32	-2.0	-104.96	306.90	4.43	-100.53
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000319539	1	38	-2.0	-93.77	345.00	5.94	-87.83
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000319540	0	29	-2.0	-101.25	294.60	3.39	-97.86
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000319541	1	35	-2.0	-109.10	316.85	5.15	-103.95
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000319543	1	33	-2.0	-105.41	308.07	3.72	-101.69
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000319545	0	32	-2.0	-93.15	310.54	4.04	-89.11
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000319547	0	29	-2.0	-102.69	293.07	3.41	-99.28
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1F	REAL300000319548	1	40	-2.0	-107.35	359.76	4.17	-103.18
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1F	REAL300000319550	1	42	-2.0	-112.87	356.68	6.98	-105.89
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1F	REAL300000319551	1	41	-2.0	-104.89	355.32	6.37	-98.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC)C(F)=C1	REAL300000319552	1	38	-2.0	-107.80	331.57	6.08	-101.72
COC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1F	REAL300000319553	0	39	-2.0	-107.95	351.85	4.92	-103.03
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000319554	0	35	-2.0	-107.72	336.54	4.79	-102.93
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000319554	1	34	-3.0	-180.73	329.83	4.93	-175.80
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1F	REAL300000319555	1	39	-2.0	-106.79	345.69	6.26	-100.53
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000319556	0	32	-2.0	-101.73	304.43	3.50	-98.23
COC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1F	REAL300000319557	1	38	-2.0	-111.71	343.59	4.14	-107.57
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000319558	0	36	-2.0	-103.57	330.40	3.45	-100.12
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000319560	1	32	-2.0	-96.65	329.10	5.22	-91.43
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1F	REAL300000319561	0	32	-2.0	-100.28	319.02	4.95	-95.33
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1F	REAL300000319562	1	36	-2.0	-91.88	348.52	5.18	-86.70
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1F	REAL300000319564	1	35	-2.0	-93.87	322.13	5.18	-88.69
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1F	REAL300000319566	1	36	-2.0	-92.80	338.71	4.70	-88.10
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000319568	1	32	-2.0	-105.40	310.02	4.25	-101.15
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C1F	REAL300000319569	0	32	-2.0	-91.79	329.64	5.38	-86.41
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1F	REAL300000319570	0	32	-2.0	-88.31	314.47	4.92	-83.39
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000319571	1	32	-2.0	-94.19	305.95	4.40	-89.79
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000319572	0	29	-2.0	-96.20	293.69	3.48	-92.72
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000319573	1	32	-2.0	-93.42	307.82	4.43	-88.99
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1F	REAL300000319574	0	35	-2.0	-100.43	327.19	5.07	-95.36
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1F	REAL300000319575	0	36	-2.0	-96.92	341.73	4.98	-91.94
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000319576	0	32	-2.0	-89.85	306.88	4.43	-85.42
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000319577	1	32	-2.0	-92.33	313.92	4.77	-87.56
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1F	REAL300000319578	1	35	-2.0	-95.48	330.86	5.55	-89.93
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1F	REAL300000319579	1	40	-2.0	-91.56	365.16	5.77	-85.79
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000319580	1	32	-2.0	-96.15	312.24	4.47	-91.68
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1F	REAL300000319581	1	34	-2.0	-92.11	329.61	5.02	-87.09
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000319582	0	33	-2.0	-108.38	311.14	2.08	-106.30
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000319582	1	33	-2.0	-102.83	310.22	2.95	-99.88
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000319583	1	35	-2.0	-98.22	323.60	5.14	-93.08
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000319584	1	32	-2.0	-97.57	322.13	4.89	-92.68
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000319585	1	35	-2.0	-102.53	311.49	5.00	-97.53
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000319586	1	35	-2.0	-105.84	326.27	5.01	-100.83
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300000319589	0	34	-2.0	-105.50	327.98	5.44	-100.06
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1F	REAL300000319590	0	32	-2.0	-91.09	313.17	4.49	-86.60
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1F	REAL300000319592	0	35	-2.0	-105.96	322.90	4.96	-101.00
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1F	REAL300000319593	0	35	-2.0	-99.42	333.16	5.49	-93.93
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1F	REAL300000319594	0	35	-2.0	-107.34	326.45	5.05	-102.29
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000319595	1	38	-2.0	-108.84	335.66	5.54	-103.30
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1F	REAL300000319597	1	35	-2.0	-92.35	327.68	5.55	-86.80
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1F	REAL300000319598	1	35	-2.0	-91.32	331.53	5.18	-86.14
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000319599	1	35	-2.0	-104.65	332.66	5.32	-99.33
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000319600	1	36	-2.0	-106.56	329.45	4.58	-101.98
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=C1F	REAL300000319602	0	32	-2.0	-90.03	327.00	4.92	-85.11
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000319603	1	35	-2.0	-101.41	335.16	5.43	-95.98
COC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1F	REAL300000319604	0	41	-2.0	-105.22	350.88	6.50	-98.72
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1F	REAL300000319605	0	36	-2.0	-109.05	341.75	4.99	-104.06
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1F	REAL300000319607	0	37	-2.0	-95.81	344.68	6.56	-89.25
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1F	REAL300000319609	0	34	-2.0	-113.31	325.15	6.21	-107.10
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000319610	0	32	-2.0	-110.09	305.04	4.39	-105.70
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000319611	1	35	-2.0	-99.58	326.36	5.05	-94.53
COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1F	REAL300000319612	1	38	-2.0	-115.13	342.46	6.48	-108.65
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000319613	0	31	-2.0	-98.85	298.40	2.42	-96.43
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000319614	0	36	-2.0	-94.47	329.62	4.16	-90.31
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000319615	0	29	-2.0	-95.11	301.57	3.34	-91.77
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1F	REAL300000319616	1	39	-2.0	-96.74	347.54	6.25	-90.49
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1F	REAL300000319617	1	39	-2.0	-100.61	346.85	6.25	-94.36
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000319618	0	35	-2.0	-101.81	323.55	4.35	-97.46
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2Br)=C1	REAL300000319624	1	25	-2.0	-93.01	285.59	4.79	-88.22
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2Br)=C1	REAL300000319627	1	28	-2.0	-89.28	301.54	5.46	-83.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2Br)S1	REAL300000319632	1	25	-2.0	-88.25	284.66	4.89	-83.36
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(F)C=C2Br)=C1	REAL300000319635	0	29	-2.0	-99.19	296.68	4.33	-94.86
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2Br)=C1	REAL300000319642	1	27	-2.0	-95.94	288.64	3.88	-92.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2Br)=C(Cl)O1	REAL300000319643	1	25	-2.0	-87.00	292.52	4.74	-82.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2COCC2=CC=CC=C2)C=C1	REAL300000319645	1	45	-2.0	-95.32	399.56	8.99	-86.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2COCC2=CC=CC=C2)=C1	REAL300000319646	1	45	-2.0	-107.92	399.59	8.98	-98.94
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2COCC2=CC=CC=C2)=C1	REAL300000319647	0	44	-2.0	-105.61	395.80	7.10	-98.51
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000319648	0	39	-2.0	-124.10	355.79	2.66	-121.44
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000319649	0	39	-2.0	-113.66	351.25	2.64	-111.02
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000319650	0	39	-2.0	-127.39	351.25	2.64	-124.75
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000319651	0	43	-2.0	-134.09	379.40	2.44	-131.65
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000319652	0	43	-2.0	-112.70	382.70	3.93	-108.77
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000319653	0	42	-2.0	-128.82	367.27	3.15	-125.67
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000319654	0	39	-2.0	-123.34	364.32	3.21	-120.13
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000319655	0	39	-2.0	-122.83	363.77	3.02	-119.81
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000319656	0	45	-2.0	-130.95	384.36	3.97	-126.98
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000319657	0	39	-2.0	-125.59	356.73	2.70	-122.89
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000319658	0	45	-2.0	-112.36	394.84	4.21	-108.15
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000319659	0	36	-2.0	-121.16	344.44	1.66	-119.50
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000319660	0	42	-2.0	-128.92	366.69	3.43	-125.49
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000319661	0	43	-2.0	-111.39	382.32	2.91	-108.48
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000319662	0	40	-2.0	-125.36	357.90	1.99	-123.37
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000319663	0	43	-2.0	-129.10	375.45	1.46	-127.64
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000319664	0	39	-2.0	-117.04	360.36	2.30	-114.74
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000319665	0	45	-2.0	-130.44	382.71	3.95	-126.49
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000319666	0	36	-2.0	-122.58	342.90	1.67	-120.91
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000319667	0	43	-2.0	-133.16	378.54	2.70	-130.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)NC)=CC=C1OC	REAL300000319668	0	45	-2.0	-126.94	381.38	4.37	-122.57
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000319669	0	39	-2.0	-120.99	354.26	1.77	-119.22
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000319670	0	43	-2.0	-127.75	380.22	1.74	-126.01
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000319671	0	42	-2.0	-118.68	371.96	3.46	-115.22
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000319672	0	39	-2.0	-124.56	360.95	2.52	-122.04
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000319673	0	39	-2.0	-110.81	364.30	3.21	-107.60
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000319674	0	39	-2.0	-112.76	355.77	2.69	-110.07
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000319675	0	36	-2.0	-115.70	343.51	1.76	-113.94
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000319676	0	39	-2.0	-117.63	357.67	2.69	-114.94
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000319677	0	42	-2.0	-127.15	377.00	3.35	-123.80
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000319678	0	39	-2.0	-113.23	356.71	2.71	-110.52
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000319679	0	39	-2.0	-110.98	363.75	3.05	-107.93
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000319680	0	40	-2.0	-127.97	360.97	0.35	-127.62
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000319681	0	42	-2.0	-118.37	373.44	3.40	-114.97
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000319682	0	42	-2.0	-122.47	361.29	3.28	-119.19
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000319683	0	42	-2.0	-125.66	376.08	3.30	-122.36
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000319684	0	42	-2.0	-113.71	366.67	3.42	-110.29
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000319685	0	45	-2.0	-130.86	384.72	3.71	-127.15
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000319686	0	45	-2.0	-126.70	385.73	4.03	-122.67
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000319687	0	42	-2.0	-127.03	372.73	3.23	-123.80
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000319688	0	42	-2.0	-131.62	376.30	3.33	-128.29
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)NC)=CC=C2OC)C=C1C(=O)[O-]	REAL300000319689	0	45	-2.0	-129.63	385.57	3.83	-125.80
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)NC)=CC=C2OC)C=C1C(=O)[O-]	REAL300000319690	0	43	-2.0	-126.74	379.21	2.83	-123.91
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000319691	0	42	-2.0	-113.94	367.26	3.18	-110.76
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000319692	0	42	-2.0	-125.56	371.20	3.45	-122.11
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000319693	0	39	-2.0	-130.70	354.88	2.66	-128.04
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000319694	0	42	-2.0	-118.68	372.41	3.21	-115.47
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000319695	0	38	-2.0	-125.77	348.22	0.71	-125.06
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000319696	0	43	-2.0	-118.36	379.46	2.43	-115.93
CNC(=O)C1=CC=C(OC)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000319697	0	36	-2.0	-114.30	351.35	1.60	-112.70
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)NC)=CC=C2OC)C=C(C(=O)[O-])O1	REAL300000319698	0	42	-2.0	-120.77	373.38	2.62	-118.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C)=C1O	REAL300000319699	1	42	-2.0	-88.99	371.81	2.33	-86.66
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(O)=C1C	REAL300000319701	0	43	-2.0	-106.46	374.94	4.83	-101.63
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)=C1O	REAL300000319703	1	35	-2.0	-108.13	315.32	3.74	-104.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(O)=C1C	REAL300000319704	0	39	-2.0	-113.54	343.46	3.54	-110.00
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C)=C1O	REAL300000319705	1	39	-2.0	-94.96	346.79	5.04	-89.92
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C)=C1O	REAL300000319707	0	35	-2.0	-103.56	328.39	4.31	-99.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=C1O	REAL300000319708	1	35	-2.0	-103.22	327.82	4.13	-99.09
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C(C)=C1O	REAL300000319709	0	35	-2.0	-99.13	340.89	4.69	-94.44
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)C(C)=C1O	REAL300000319710	1	41	-2.0	-109.97	348.43	5.08	-104.89
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1O	REAL300000319711	0	35	-2.0	-105.22	320.80	3.80	-101.42
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1O	REAL300000319712	1	41	-2.0	-94.16	358.91	5.33	-88.83
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1O	REAL300000319713	0	32	-2.0	-101.80	308.52	2.76	-99.04
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C)=C1O	REAL300000319714	1	38	-2.0	-108.23	330.76	4.52	-103.71
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1O	REAL300000319716	1	36	-2.0	-105.88	321.98	3.09	-102.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2C)=C1	REAL300000319718	0	35	-2.0	-98.41	324.44	3.43	-94.98
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1O	REAL300000319720	0	32	-2.0	-103.78	306.97	2.77	-101.01
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2C)=CC(C(=O)[O-])=C1OC	REAL300000319721	1	43	-2.0	-108.55	373.65	3.55	-105.00
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(C)=C1O	REAL300000319723	1	45	-2.0	-112.20	370.56	6.37	-105.83
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C)=C1O	REAL300000319724	1	44	-2.0	-110.43	369.23	5.76	-104.67
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(O)=C1C	REAL300000319725	1	41	-2.0	-106.42	344.94	5.45	-100.97
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(O)=C1C	REAL300000319726	0	42	-2.0	-114.11	365.75	4.31	-109.80
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=C1O	REAL300000319727	0	38	-2.0	-110.70	342.20	4.24	-106.46
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=C1O	REAL300000319727	1	37	-3.0	-183.06	343.72	4.31	-178.75
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C)=C1O	REAL300000319728	1	42	-2.0	-112.30	359.57	5.64	-106.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2C)C=C(C(=O)[O-])O1	REAL300000319729	0	35	-2.0	-101.40	318.33	2.88	-98.52
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C)=C1O	REAL300000319730	1	41	-2.0	-112.90	357.48	3.51	-109.39
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2C)=C1	REAL300000319731	0	39	-2.0	-108.88	344.29	2.83	-106.05
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C(C)=C1O	REAL300000319733	1	35	-2.0	-97.58	342.99	4.59	-92.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(C)=C1O	REAL300000319734	0	35	-2.0	-99.67	332.92	4.34	-95.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C(C)=C1O	REAL300000319737	1	45	-2.0	-92.92	395.05	4.99	-87.93
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=C1O	REAL300000319738	1	38	-2.0	-98.73	336.05	4.57	-94.16
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C)=C1O	REAL300000319740	1	39	-2.0	-93.13	352.60	4.09	-89.04
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2C)C=C(C(=O)[O-])S1	REAL300000319742	1	35	-2.0	-104.64	325.02	3.63	-101.01
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C(C)=C1O	REAL300000319743	0	35	-2.0	-96.71	343.56	4.76	-91.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=C1O	REAL300000319744	0	35	-2.0	-92.58	328.38	4.30	-88.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=C1O	REAL300000319745	1	35	-2.0	-94.84	319.83	3.78	-91.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1O	REAL300000319746	0	32	-2.0	-97.14	307.59	2.87	-94.27
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1O	REAL300000319747	1	35	-2.0	-98.14	321.72	3.81	-94.33
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C)=C1O	REAL300000319748	0	38	-2.0	-106.12	341.07	4.44	-101.68
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000319749	0	39	-2.0	-97.44	355.63	4.36	-93.08
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1O	REAL300000319750	0	35	-2.0	-94.64	320.79	3.81	-90.83
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=C1O	REAL300000319751	1	35	-2.0	-92.89	327.80	4.14	-88.75
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C)=C1O	REAL300000319752	1	38	-2.0	-100.40	344.79	4.95	-95.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(C)=C1O	REAL300000319753	1	43	-2.0	-91.69	379.08	5.15	-86.54
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C)=C1O	REAL300000319754	1	35	-2.0	-96.97	326.14	3.83	-93.14
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C)=C1O	REAL300000319755	1	37	-2.0	-92.43	343.51	4.41	-88.02
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1O	REAL300000319756	0	36	-2.0	-107.26	325.04	1.44	-105.82
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1O	REAL300000319756	1	36	-2.0	-104.72	322.45	2.29	-102.43
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)=C1O	REAL300000319757	1	38	-2.0	-99.00	337.51	4.53	-94.47
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(C)=C1O	REAL300000319758	1	35	-2.0	-98.41	336.02	4.27	-94.14
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C)=C1O	REAL300000319763	0	37	-2.0	-105.51	341.86	4.84	-100.67
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=C1O	REAL300000319764	0	35	-2.0	-96.43	327.06	3.87	-92.56
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C(C)=C1O	REAL300000319766	0	38	-2.0	-107.21	340.64	4.44	-102.77
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C)=C1O	REAL300000319767	0	38	-2.0	-104.65	347.11	4.88	-99.77
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2C)=C1	REAL300000319768	0	38	-2.0	-112.96	340.36	4.43	-108.53
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C)=C1O	REAL300000319771	1	38	-2.0	-97.19	342.12	4.89	-92.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(C)=C1O	REAL300000319772	1	38	-2.0	-91.88	345.42	4.55	-87.33
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(C)=C1O	REAL300000319773	1	38	-2.0	-104.77	346.54	4.70	-100.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2C)C=C1C(=O)[O-]	REAL300000319774	1	39	-2.0	-107.10	343.27	3.94	-103.16
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C(C)=C1O	REAL300000319776	0	35	-2.0	-95.45	340.92	4.30	-91.15
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C)=C1O	REAL300000319777	1	38	-2.0	-101.41	345.18	4.71	-96.70
CC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C(C)=C1O	REAL300000319778	1	44	-2.0	-104.10	364.77	5.88	-98.22
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2C)C=C1C(=O)[O-]	REAL300000319779	1	39	-2.0	-109.10	355.64	4.37	-104.73
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(C)=C1O	REAL300000319781	0	40	-2.0	-99.67	358.58	5.93	-93.74
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C)=C1O	REAL300000319783	0	37	-2.0	-115.40	339.06	5.59	-109.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1O	REAL300000319784	0	35	-2.0	-112.30	318.96	3.77	-108.53
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C)=C1O	REAL300000319785	1	38	-2.0	-99.73	336.48	4.31	-95.42
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=C1O	REAL300000319786	1	41	-2.0	-116.66	356.37	5.86	-110.80
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1O	REAL300000319787	0	34	-2.0	-105.66	311.54	1.86	-103.80
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(O)=C1C	REAL300000319788	0	39	-2.0	-99.33	343.53	3.54	-95.79
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=C1O	REAL300000319789	0	32	-2.0	-95.43	315.43	2.72	-92.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C)=C1O	REAL300000319790	1	42	-2.0	-101.60	361.45	5.63	-95.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C)=C1O	REAL300000319791	1	42	-2.0	-104.28	359.40	5.61	-98.67
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2C)C=C(C(=O)[O-])O1	REAL300000319792	0	38	-2.0	-101.23	337.45	3.73	-97.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)=CC=C1F	REAL300000319793	1	32	-2.0	-99.90	326.61	6.50	-93.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)C=C1	REAL300000319794	1	32	-2.0	-90.14	322.07	6.48	-83.66
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)=C1	REAL300000319795	1	32	-2.0	-102.31	322.09	6.46	-95.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000319796	1	35	-2.0	-104.75	342.17	7.12	-97.63
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)=C1	REAL300000319797	0	32	-2.0	-97.15	327.56	6.53	-90.62
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)=C1	REAL300000319798	0	29	-2.0	-94.34	315.26	5.48	-88.86
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC(F)(F)F)C=C1	REAL300000319799	1	35	-2.0	-103.91	337.51	7.25	-96.66
CN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000319800	0	33	-2.0	-100.74	328.73	5.82	-94.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)=C1	REAL300000319801	0	32	-2.0	-92.92	331.19	6.14	-86.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)=CS1	REAL300000319802	0	29	-2.0	-95.83	313.73	5.50	-90.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000319803	0	32	-2.0	-96.88	325.11	5.60	-91.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000319804	0	32	-2.0	-97.68	330.68	6.36	-91.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)C=C1F	REAL300000319805	1	32	-2.0	-89.75	326.61	6.51	-83.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)S1	REAL300000319806	0	29	-2.0	-91.47	314.34	5.59	-85.88
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)=C1	REAL300000319807	1	32	-2.0	-93.33	328.48	6.54	-86.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)C(F)=C1	REAL300000319808	0	32	-2.0	-89.41	327.54	6.54	-82.87
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)=C1	REAL300000319809	0	33	-2.0	-99.93	331.79	4.17	-95.76
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(SC(F)(F)F)C=C2)=C1	REAL300000319809	1	33	-2.0	-100.53	330.99	4.98	-95.55
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)C=C1	REAL300000319810	1	35	-2.0	-93.95	344.25	7.24	-86.71
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(F)(F)F)C=C1	REAL300000319811	1	35	-2.0	-97.70	335.90	7.21	-90.49
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(F)(F)F)C=C1	REAL300000319812	1	35	-2.0	-88.59	337.49	7.24	-81.35
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000319813	0	36	-2.0	-101.96	350.10	6.69	-95.27
CC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000319814	1	35	-2.0	-88.33	338.08	7.01	-81.32
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)=C1F	REAL300000319815	0	32	-2.0	-105.81	325.73	6.50	-99.31
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)=C1	REAL300000319816	0	31	-2.0	-97.77	318.29	4.58	-93.19
CCC1=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000319817	0	35	-2.0	-96.89	344.20	6.46	-90.43
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000319818	0	41	-2.0	-91.82	370.38	1.75	-90.07
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000319819	0	34	-2.0	-107.94	318.47	3.20	-104.74
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000319820	0	42	-2.0	-107.37	373.54	4.27	-103.10
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000319821	0	34	-2.0	-98.42	313.90	3.17	-95.25
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000319822	0	34	-2.0	-110.10	313.92	3.17	-106.93
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000319823	0	38	-2.0	-113.78	342.06	2.98	-110.80
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000319824	0	34	-2.0	-105.76	330.18	3.66	-102.10
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000319825	0	38	-2.0	-97.64	345.37	4.46	-93.18
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000319826	0	37	-2.0	-111.23	329.96	3.70	-107.53
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000319827	0	40	-2.0	-111.12	346.31	4.46	-106.66
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000319828	0	34	-2.0	-105.94	319.39	3.23	-102.71
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000319829	0	40	-2.0	-96.48	357.48	4.76	-91.72
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000319830	0	31	-2.0	-104.72	307.10	2.19	-102.53
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000319831	0	37	-2.0	-109.27	329.35	3.93	-105.34
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000319832	0	38	-2.0	-96.37	344.99	3.45	-92.92
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000319833	0	45	-2.0	-93.26	390.76	4.22	-89.04
CCCCC(=O)N[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000319834	0	31	-2.0	-100.59	324.13	2.95	-97.64
CCCCC(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000319835	0	35	-2.0	-109.02	320.57	2.52	-106.50
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000319836	0	38	-2.0	-110.01	338.12	1.97	-108.04
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000319837	0	34	-2.0	-100.95	323.04	2.85	-98.10
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000319838	0	40	-2.0	-110.39	345.38	4.48	-105.91
CCCCC(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000319839	0	31	-2.0	-106.11	305.57	2.21	-103.90
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000319840	0	42	-2.0	-111.06	372.25	2.98	-108.08
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000319841	0	38	-2.0	-116.19	341.21	3.23	-112.96
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000319842	0	44	-2.0	-113.11	369.17	5.68	-107.43
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000319843	0	43	-2.0	-111.21	367.82	5.16	-106.05
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000319844	0	40	-2.0	-107.08	344.06	4.69	-102.39
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000319845	0	41	-2.0	-115.81	364.35	3.74	-112.07
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000319846	0	36	-3.0	-185.39	342.33	3.73	-181.66
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000319847	0	41	-2.0	-113.42	358.17	5.05	-108.37
CCCCC(=O)N[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000319848	0	34	-2.0	-103.41	316.92	2.31	-101.10
CCCCC(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000319849	0	40	-2.0	-115.24	356.10	2.94	-112.30
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000319850	0	38	-2.0	-113.32	342.82	2.27	-111.05
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000319851	0	42	-2.0	-97.58	367.55	3.79	-93.79
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000319852	0	34	-2.0	-100.23	341.60	4.02	-96.21
CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000319852	1	33	-3.0	-200.36	338.42	3.24	-197.12
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000319853	0	38	-2.0	-95.02	361.03	3.99	-91.03
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000319854	0	41	-2.0	-96.87	365.07	4.16	-92.71
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000319855	0	44	-2.0	-95.57	393.67	4.42	-91.15
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000319856	0	37	-2.0	-100.62	334.63	3.97	-96.65
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000319857	0	47	-2.0	-96.68	407.52	5.09	-91.59
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000319858	0	38	-2.0	-96.10	351.23	3.52	-92.58
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000319859	0	44	-2.0	-95.22	403.47	4.90	-90.32
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000319860	0	41	-2.0	-116.84	363.06	4.14	-112.70
CCCCC(=O)N[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000319861	0	34	-2.0	-106.17	322.52	3.08	-103.09
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000319862	0	34	-2.0	-98.84	342.14	4.17	-94.67
CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000319862	1	33	-3.0	-198.03	338.96	3.38	-194.65
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000319863	0	34	-2.0	-95.99	326.97	3.71	-92.28
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000319864	0	34	-2.0	-95.63	330.32	3.84	-91.79
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000319865	0	34	-2.0	-98.15	318.44	3.21	-94.94
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000319866	0	31	-2.0	-99.78	306.19	2.30	-97.48
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000319867	0	34	-2.0	-101.35	320.34	3.23	-98.12
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000319868	0	37	-2.0	-107.32	339.67	3.87	-103.45
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000319869	0	38	-2.0	-100.88	354.23	3.77	-97.11
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000319870	0	34	-2.0	-97.77	319.38	3.24	-94.53
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000319871	0	34	-2.0	-96.10	326.41	3.57	-92.53
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000319872	0	37	-2.0	-102.11	343.36	4.35	-97.76
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000319873	0	37	-2.0	-101.37	344.75	4.38	-96.99
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000319874	0	42	-2.0	-94.42	377.66	4.58	-89.84
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000319875	0	34	-2.0	-95.66	330.15	3.66	-92.00
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000319876	0	36	-2.0	-95.69	342.12	3.84	-91.85
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000319877	0	35	-2.0	-107.20	323.63	0.89	-106.31
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000319877	1	34	-3.0	-204.45	320.07	1.77	-202.68
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000319878	0	37	-2.0	-104.12	347.82	4.23	-99.89
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000319879	0	37	-2.0	-100.47	336.09	3.95	-96.52
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000319880	0	34	-2.0	-101.27	334.63	3.70	-97.57
CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000319880	1	33	-3.0	-199.75	331.45	2.92	-196.83
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000319881	0	37	-2.0	-107.82	323.46	3.77	-104.05
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000319882	0	37	-2.0	-102.59	347.39	4.44	-98.15
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000319883	0	37	-2.0	-109.38	338.75	3.82	-105.56
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000319884	0	37	-2.0	-98.49	328.92	3.88	-94.61
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000319885	0	40	-2.0	-114.72	350.72	4.34	-110.38
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000319886	0	36	-2.0	-109.32	340.49	4.26	-105.06
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000319887	0	34	-2.0	-98.32	325.68	3.29	-95.03
CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000319887	1	33	-3.0	-199.07	322.49	2.51	-196.56
CCCCC(=O)N[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000319888	0	31	-2.0	-97.50	326.50	2.83	-94.67
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000319889	0	40	-2.0	-112.35	347.31	4.49	-107.86
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000319890	0	37	-2.0	-106.92	335.39	3.77	-103.15
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000319891	0	37	-2.0	-106.25	345.68	4.29	-101.96
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000319892	0	37	-2.0	-116.51	338.95	3.86	-112.65
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000319893	0	40	-2.0	-111.85	348.20	4.36	-107.49
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000319894	0	34	-2.0	-101.19	334.86	3.88	-97.31
CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000319894	1	33	-3.0	-198.05	331.68	3.10	-194.95
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000319895	0	41	-2.0	-114.46	364.39	3.30	-111.16
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000319896	0	37	-2.0	-100.95	340.18	4.28	-96.67
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000319897	0	37	-2.0	-95.15	344.04	3.97	-91.18
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000319898	0	37	-2.0	-108.01	345.14	4.13	-103.88
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000319899	0	34	-2.0	-103.16	335.22	3.78	-99.38
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300000319900	0	37	-2.0	-105.91	348.50	4.41	-101.50
CCCCC(=O)N[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000319901	0	38	-2.0	-110.26	341.93	3.39	-106.87
CCCCC(=O)N[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000319902	0	46	-2.0	-112.58	379.07	6.04	-106.54
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000319903	0	34	-2.0	-97.29	339.52	3.72	-93.57
CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000319903	1	33	-3.0	-195.70	336.34	2.94	-192.76
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000319904	0	38	-2.0	-97.55	358.62	3.47	-94.08
CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000319904	1	37	-3.0	-194.90	355.44	2.69	-192.21
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000319905	0	37	-2.0	-103.64	343.80	4.13	-99.51
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000319906	0	38	-2.0	-110.18	354.24	3.78	-106.40
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000319907	0	37	-2.0	-98.52	329.93	3.71	-94.81
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000319908	0	39	-2.0	-104.51	354.64	5.23	-99.28
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000319909	0	37	-2.0	-107.02	333.87	3.97	-103.05
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000319910	0	36	-2.0	-118.70	337.65	5.02	-113.68
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000319911	0	34	-2.0	-115.71	317.58	3.20	-112.51
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000319912	0	37	-2.0	-102.01	335.10	3.74	-98.27
CCCCC(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000319913	0	40	-2.0	-118.45	354.96	5.29	-113.16
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000319914	0	33	-2.0	-105.47	310.90	1.22	-104.25
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000319915	0	38	-2.0	-102.25	342.12	2.98	-99.27
CCCCC(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000319916	0	31	-2.0	-97.99	314.06	2.14	-95.85
CCCCC(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000319916	1	30	-3.0	-193.52	310.88	1.36	-192.16
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000319917	0	38	-2.0	-105.71	357.71	3.72	-101.99
CCCCC(=O)N[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000319918	0	37	-2.0	-102.22	357.25	0.21	-102.01
CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000319918	1	36	-3.0	-202.88	354.07	-0.57	-203.45
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000319919	0	41	-2.0	-104.63	357.90	4.99	-99.64
CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000319920	0	41	-2.0	-109.88	359.36	5.05	-104.83
CCCCC(=O)N[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000319921	0	37	-2.0	-102.98	336.08	3.08	-99.90
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000319922	0	41	-2.0	-92.26	365.05	1.49	-90.77
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000319923	0	34	-2.0	-108.53	313.15	2.94	-105.59
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000319924	0	42	-2.0	-107.96	368.21	4.01	-103.95
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000319925	0	34	-2.0	-104.51	325.01	3.59	-100.92
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000319926	0	34	-2.0	-98.87	308.58	2.92	-95.95
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000319927	0	34	-2.0	-110.81	308.60	2.91	-107.90
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000319928	0	38	-2.0	-114.53	336.73	2.72	-111.81
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000319929	0	34	-2.0	-106.37	324.86	3.40	-102.97
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000319930	0	38	-2.0	-98.13	340.04	4.20	-93.93
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000319931	0	37	-2.0	-111.93	324.63	3.44	-108.49
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000319932	0	34	-2.0	-105.16	321.66	3.47	-101.69
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000319933	0	34	-2.0	-106.88	321.12	3.30	-103.58
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000319934	0	34	-2.0	-101.01	334.16	3.84	-97.17
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000319934	1	33	-3.0	-201.18	331.98	3.06	-198.12
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000319935	0	40	-2.0	-111.78	340.99	4.20	-107.58
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000319936	0	34	-2.0	-106.69	314.07	2.97	-103.72
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000319937	0	40	-2.0	-96.96	352.16	4.50	-92.46
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000319938	0	31	-2.0	-105.29	301.80	1.92	-103.37
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000319939	0	37	-2.0	-109.84	324.03	3.68	-106.16
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000319940	0	38	-2.0	-96.92	339.66	3.19	-93.73
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000319941	0	45	-2.0	-93.81	385.43	3.97	-89.84
CCC(C)C(=O)N[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000319942	0	31	-2.0	-101.13	318.76	2.68	-98.45
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000319942	1	30	-3.0	-199.73	316.63	1.91	-197.82
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000319943	0	35	-2.0	-109.63	315.25	2.26	-107.37
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000319944	0	38	-2.0	-110.57	332.80	1.71	-108.86
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000319945	0	34	-2.0	-108.23	333.49	3.55	-104.68
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000319945	1	33	-3.0	-213.22	331.31	2.78	-210.44
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000319946	0	34	-2.0	-101.51	317.71	2.59	-98.92
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000319947	0	40	-2.0	-110.99	340.05	4.22	-106.77
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000319948	0	31	-2.0	-106.70	300.24	1.95	-104.75
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000319949	0	42	-2.0	-111.66	366.93	2.72	-108.94
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000319950	0	38	-2.0	-116.70	335.89	2.98	-113.72
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000319951	0	44	-2.0	-113.80	363.86	5.42	-108.38
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000319952	0	43	-2.0	-111.89	362.50	4.90	-106.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)CC	REAL300000319953	0	40	-2.0	-107.67	338.74	4.42	-103.25
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000319954	0	41	-2.0	-113.36	359.03	3.48	-109.88
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000319955	0	36	-3.0	-186.28	337.01	3.47	-182.81
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000319956	0	41	-2.0	-114.09	352.84	4.79	-109.30
CCC(C)C(=O)N[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000319957	0	34	-2.0	-103.96	311.60	2.05	-101.91
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000319958	0	40	-2.0	-115.93	350.76	2.68	-113.25
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000319959	0	38	-2.0	-114.05	337.50	2.01	-112.04
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000319960	0	42	-2.0	-98.09	362.23	3.52	-94.57
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000319961	0	34	-2.0	-100.73	336.28	3.76	-96.97
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000319961	1	33	-3.0	-202.10	334.09	2.99	-199.11
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000319962	0	34	-2.0	-102.14	326.19	3.48	-98.66
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000319962	1	33	-3.0	-200.82	324.01	2.71	-198.11
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000319963	0	38	-2.0	-95.60	355.71	3.73	-91.87
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000319964	0	41	-2.0	-97.38	359.75	3.90	-93.48
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000319965	0	44	-2.0	-96.03	388.34	4.16	-91.87
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000319966	0	37	-2.0	-101.11	329.31	3.71	-97.40
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000319967	0	47	-2.0	-97.15	402.20	4.83	-92.32
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000319968	0	38	-2.0	-96.55	345.92	3.25	-93.30
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000319969	0	44	-2.0	-95.64	398.15	4.64	-91.00
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)CC)C=C1C(=O)[O-]	REAL300000319970	0	41	-2.0	-117.36	357.74	3.88	-113.48
CCC(C)C(=O)N[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000319971	0	34	-2.0	-106.67	317.20	2.81	-103.86
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000319972	0	34	-2.0	-99.40	336.82	3.91	-95.49
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000319972	1	33	-3.0	-199.55	334.63	3.14	-196.41
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000319973	0	34	-2.0	-96.53	321.64	3.45	-93.08
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000319974	0	34	-2.0	-96.04	324.99	3.59	-92.45
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000319975	0	34	-2.0	-98.60	313.12	2.95	-95.65
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000319976	0	31	-2.0	-100.33	300.87	2.04	-98.29
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000319977	0	34	-2.0	-101.94	315.01	2.97	-98.97
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000319978	0	37	-2.0	-108.08	334.35	3.61	-104.47
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000319979	0	38	-2.0	-101.32	348.91	3.51	-97.81
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000319980	0	34	-2.0	-98.35	314.05	2.98	-95.37
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000319981	0	34	-2.0	-96.55	321.09	3.31	-93.24
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000319982	0	37	-2.0	-102.67	338.03	4.09	-98.58
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000319983	0	37	-2.0	-101.97	339.42	4.12	-97.85
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000319984	0	42	-2.0	-94.84	372.34	4.32	-90.52
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000319985	0	34	-2.0	-96.14	324.83	3.41	-92.73
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000319986	0	34	-2.0	-100.38	319.43	2.99	-97.39
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000319986	1	33	-3.0	-198.87	317.24	2.23	-196.64
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000319987	0	36	-2.0	-96.21	336.79	3.58	-92.63
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000319988	0	35	-2.0	-107.90	318.31	0.63	-107.27
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000319988	1	34	-3.0	-205.97	314.74	1.51	-204.46
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000319989	0	37	-2.0	-104.77	342.49	3.97	-100.80
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000319990	0	37	-2.0	-101.03	330.76	3.69	-97.34
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000319991	0	34	-2.0	-101.78	329.31	3.44	-98.34
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000319991	1	33	-3.0	-201.55	327.12	2.67	-198.88
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000319992	0	37	-2.0	-108.59	318.66	3.53	-105.06
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000319993	0	37	-2.0	-103.15	342.06	4.18	-98.97
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000319994	0	37	-2.0	-110.00	333.43	3.56	-106.44
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000319995	0	37	-2.0	-98.88	323.59	3.62	-95.26
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000319996	0	40	-2.0	-115.40	345.40	4.08	-111.32
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000319997	0	36	-2.0	-109.81	335.17	4.01	-105.80
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000319998	0	34	-2.0	-98.97	320.35	3.03	-95.94
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000319998	1	33	-3.0	-200.89	318.17	2.27	-198.62
CCC(C)C(=O)N[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000319999	0	31	-2.0	-98.04	321.17	2.57	-95.47
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000319999	1	30	-3.0	-196.59	318.99	1.81	-194.78
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000320000	0	40	-2.0	-112.99	341.99	4.23	-108.76
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000320001	0	37	-2.0	-107.66	330.06	3.50	-104.16
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000320002	0	37	-2.0	-106.92	340.36	4.03	-102.89
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000320003	0	37	-2.0	-117.19	333.62	3.60	-113.59
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)CC)C=C1C(=O)[O-]	REAL300000320004	0	40	-2.0	-112.56	342.88	4.10	-108.46
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000320005	0	34	-2.0	-101.67	329.53	3.62	-98.05
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000320005	1	33	-3.0	-199.46	327.35	2.85	-196.61
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000320006	0	41	-2.0	-115.18	359.07	3.04	-112.14
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000320007	0	37	-2.0	-101.62	334.86	4.02	-97.60
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000320008	0	37	-2.0	-95.58	338.71	3.71	-91.87
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000320009	0	37	-2.0	-108.63	339.82	3.87	-104.76
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000320010	0	34	-2.0	-103.77	329.90	3.52	-100.25
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300000320011	0	37	-2.0	-106.52	343.17	4.16	-102.36
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000320012	0	38	-2.0	-110.90	336.61	3.13	-107.77
CCC(C)C(=O)N[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000320013	0	46	-2.0	-114.12	372.98	5.73	-108.39
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000320014	0	34	-2.0	-97.57	330.70	3.63	-93.94
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000320014	1	33	-3.0	-196.40	328.51	2.86	-193.54
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000320015	0	34	-2.0	-97.83	334.20	3.46	-94.37
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000320015	1	33	-3.0	-197.37	332.01	2.70	-194.67
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000320016	0	38	-2.0	-98.09	353.29	3.21	-94.88
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000320016	1	37	-3.0	-196.47	351.11	2.44	-194.03
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000320017	0	37	-2.0	-104.26	338.47	3.87	-100.39
CCC(C)C(=O)N[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000320018	0	43	-2.0	-106.90	358.31	4.81	-102.09
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000320019	0	38	-2.0	-110.72	348.92	3.52	-107.20
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000320020	0	37	-2.0	-98.97	324.60	3.45	-95.52
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000320021	0	39	-2.0	-105.12	349.31	4.97	-100.15
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000320022	0	37	-2.0	-107.53	328.55	3.71	-103.82
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000320023	0	36	-2.0	-119.49	332.33	4.76	-114.73
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000320024	0	34	-2.0	-116.47	312.25	2.94	-113.53
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000320025	0	37	-2.0	-102.56	329.78	3.48	-99.08
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000320026	0	40	-2.0	-119.14	349.63	5.03	-114.11
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000320027	0	33	-2.0	-106.06	305.58	0.96	-105.10
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000320028	0	38	-2.0	-102.87	336.79	2.72	-100.15
CCC(C)C(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000320029	0	31	-2.0	-98.49	308.73	1.88	-96.61
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000320029	1	30	-3.0	-195.12	306.56	1.12	-194.00
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000320030	0	38	-2.0	-106.23	352.38	3.46	-102.77
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000320030	1	37	-3.0	-207.87	350.20	2.69	-205.18
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000320031	0	37	-2.0	-102.70	351.93	-0.05	-102.75
CCC(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000320031	1	36	-3.0	-204.65	349.74	-0.82	-205.47
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000320032	0	41	-2.0	-105.16	352.58	4.74	-100.42
CCC(C)C(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000320033	0	41	-2.0	-110.60	354.03	4.79	-105.81
CCC1=C(S(=O)(=O)[N-]NC(=O)C(C)CC)C=C(C(=O)[O-])O1	REAL300000320034	0	37	-2.0	-103.41	330.76	2.83	-100.58
CN1CC(=O)N(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)C1=O	REAL300000320035	1	40	-2.0	-106.19	358.48	5.42	-100.77
CN1CC(=O)N(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)C1=O	REAL300000320036	1	40	-2.0	-119.07	358.49	5.41	-113.66
CN1CC(=O)N(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)C1=O	REAL300000320037	0	37	-2.0	-113.10	351.67	4.43	-108.67
CN1C=C(S(=O)(=O)[N-]C2=CC(N3C(=O)CN(C)C3=O)=CC=C2)C=C1C(=O)[O-]	REAL300000320038	0	41	-2.0	-117.43	365.14	4.77	-112.66
CN1CC(=O)N(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)C1=O	REAL300000320039	0	37	-2.0	-114.54	350.13	4.45	-110.09
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CN(C)C3=O)=C2)C=C(C(=O)[O-])O1	REAL300000320040	0	40	-2.0	-114.25	361.49	4.55	-109.70
CN1CC(=O)N(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)C1=O	REAL300000320041	0	37	-2.0	-107.82	350.76	4.54	-103.28
CN1CC(=O)N(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)C1=O	REAL300000320042	0	39	-2.0	-115.43	355.48	3.47	-111.96
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1NC(C)=O	REAL300000320043	1	39	-2.0	-112.14	354.03	3.36	-108.78
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1NC(C)=O	REAL300000320044	1	39	-2.0	-102.53	349.49	3.34	-99.19
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1NC(C)=O	REAL300000320045	1	39	-2.0	-116.02	349.78	3.33	-112.69
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(C)=O)C(OC)=C1	REAL300000320046	0	43	-2.0	-122.21	377.92	3.13	-119.08
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1NC(C)=O	REAL300000320047	1	43	-2.0	-102.45	381.24	4.63	-97.82
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1NC(C)=O	REAL300000320048	1	42	-2.0	-118.44	369.27	3.96	-114.48
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1NC(C)=O	REAL300000320049	0	39	-2.0	-112.10	362.84	3.90	-108.20
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1NC(C)=O	REAL300000320050	1	39	-2.0	-110.66	362.30	3.72	-106.94
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1NC(C)=O	REAL300000320051	1	45	-2.0	-119.89	382.45	4.68	-115.21
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1NC(C)=O	REAL300000320052	0	39	-2.0	-113.57	355.25	3.40	-110.17
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1NC(C)=O	REAL300000320053	1	45	-2.0	-101.89	393.34	4.92	-96.97
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1NC(C)=O	REAL300000320054	0	36	-2.0	-109.91	342.96	2.35	-107.56
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1NC(C)=O	REAL300000320055	1	42	-2.0	-117.77	365.20	4.12	-113.65
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1NC(C)=O	REAL300000320057	0	40	-2.0	-114.14	356.41	2.68	-111.46
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1NC(C)=O	REAL300000320059	0	39	-2.0	-105.27	358.89	3.01	-102.26
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1NC(C)=O	REAL300000320061	0	36	-2.0	-110.58	341.44	2.36	-108.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(C)=O)C(OC)=C1	REAL300000320063	1	45	-2.0	-116.36	379.93	5.05	-111.31
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1NC(C)=O	REAL300000320064	0	39	-2.0	-109.75	352.51	2.46	-107.29
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1NC(C)=O	REAL300000320065	0	43	-2.0	-115.87	378.49	2.41	-113.46
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1NC(C)=O	REAL300000320066	1	42	-2.0	-107.73	370.50	4.14	-103.59
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1NC(C)=O	REAL300000320067	0	39	-2.0	-113.76	358.39	3.21	-110.55
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1NC(C)=O	REAL300000320068	0	39	-2.0	-100.20	362.82	3.89	-96.31
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1NC(C)=O	REAL300000320069	1	39	-2.0	-101.99	354.02	3.37	-98.62
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1NC(C)=O	REAL300000320070	0	36	-2.0	-104.11	342.06	2.45	-101.66
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1NC(C)=O	REAL300000320071	1	39	-2.0	-106.48	356.18	3.40	-103.08
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1NC(C)=O	REAL300000320072	0	42	-2.0	-114.89	375.55	4.04	-110.85
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1NC(C)=O	REAL300000320073	0	39	-2.0	-101.82	355.24	3.40	-98.42
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1NC(C)=O	REAL300000320074	1	39	-2.0	-100.09	362.00	3.73	-96.36
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1NC(C)=O	REAL300000320075	0	40	-2.0	-116.72	359.50	1.04	-115.68
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1NC(C)=O	REAL300000320075	1	40	-2.0	-110.30	348.54	1.94	-108.36
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1NC(C)=O	REAL300000320076	1	42	-2.0	-106.92	371.94	4.12	-102.80
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1NC(C)=O	REAL300000320077	1	42	-2.0	-110.92	359.62	3.96	-106.96
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1NC(C)=O	REAL300000320078	1	42	-2.0	-114.59	374.64	3.98	-110.61
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1NC(C)=O	REAL300000320080	1	45	-2.0	-117.98	383.27	4.39	-113.59
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1NC(C)=O	REAL300000320082	0	42	-2.0	-115.81	375.50	4.01	-111.80
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1NC(C)=O	REAL300000320083	0	42	-2.0	-119.13	374.81	4.02	-115.11
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(C)=O)C(OC)=C2)C=C1C(=O)[O-]	REAL300000320084	1	45	-2.0	-116.96	383.62	4.51	-112.45
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(C)=O)C(OC)=C2)C=C1C(=O)[O-]	REAL300000320085	0	43	-2.0	-115.34	377.52	3.54	-111.80
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1NC(C)=O	REAL300000320086	1	42	-2.0	-102.53	365.22	3.86	-98.67
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC=C1NC(C)=O	REAL300000320087	1	42	-2.0	-115.26	369.32	4.17	-111.09
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1NC(C)=O	REAL300000320088	0	39	-2.0	-118.34	353.45	3.36	-114.98
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1NC(C)=O	REAL300000320089	1	42	-2.0	-107.33	374.18	4.00	-103.33
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1NC(C)=O	REAL300000320090	0	38	-2.0	-113.44	346.77	1.38	-112.06
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1NC(C)=O	REAL300000320091	0	43	-2.0	-107.09	377.99	3.12	-103.97
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1NC(C)=O	REAL300000320092	0	36	-2.0	-103.17	349.65	2.30	-100.87
CCC1=C(S(=O)(=O)[N-]C2=CC=C(NC(C)=O)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000320093	0	42	-2.0	-109.81	371.63	3.31	-106.50
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000320096	1	36	-2.0	-107.49	332.93	3.21	-104.28
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000320097	0	40	-2.0	-112.52	361.06	3.02	-109.50
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000320098	1	40	-2.0	-95.43	364.36	4.52	-90.91
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000320100	0	36	-2.0	-108.89	345.98	3.80	-105.09
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000320101	1	36	-2.0	-108.60	345.42	3.62	-104.98
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000320102	1	42	-2.0	-116.54	365.31	4.53	-112.01
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000320103	0	36	-2.0	-110.38	338.39	3.29	-107.09
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000320104	1	42	-2.0	-94.53	376.48	4.80	-89.73
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000320105	0	33	-2.0	-106.78	326.09	2.24	-104.54
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000320106	1	39	-2.0	-108.03	348.35	4.01	-104.02
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000320108	1	37	-2.0	-106.06	339.56	2.58	-103.48
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000320110	0	36	-2.0	-102.33	342.04	2.91	-99.42
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000320112	0	33	-2.0	-107.50	324.56	2.26	-105.24
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000320114	1	45	-2.0	-110.10	386.81	5.22	-104.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)OC)C=C1	REAL300000320115	1	42	-2.0	-106.42	363.08	4.95	-101.47
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000320116	0	43	-2.0	-113.34	383.35	3.78	-109.56
COC(=O)NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000320117	0	39	-2.0	-117.79	364.01	3.74	-114.05
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000320117	1	38	-3.0	-187.04	361.31	3.79	-183.25
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000320118	1	43	-2.0	-118.83	377.16	5.12	-113.71
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000320119	0	36	-2.0	-101.52	335.95	2.36	-99.16
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000320120	0	40	-2.0	-112.72	361.88	2.31	-110.41
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000320122	1	39	-2.0	-98.94	353.62	4.04	-94.90
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000320123	1	40	-2.0	-93.50	370.20	3.56	-89.94
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000320125	1	36	-2.0	-104.70	341.54	3.12	-101.58
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000320126	0	36	-2.0	-97.15	345.96	3.78	-93.37
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000320127	1	36	-2.0	-95.50	337.45	3.26	-92.24
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000320128	0	33	-2.0	-97.53	325.17	2.34	-95.19
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000320129	1	36	-2.0	-103.41	339.31	3.29	-100.12
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000320130	0	39	-2.0	-111.77	358.67	3.93	-107.84
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000320131	0	36	-2.0	-98.74	338.38	3.29	-95.45
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000320132	1	36	-2.0	-93.42	345.42	3.63	-89.79
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000320133	1	39	-2.0	-100.52	362.36	4.43	-96.09
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000320134	1	36	-2.0	-100.75	343.73	3.32	-97.43
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000320135	1	38	-2.0	-92.92	361.10	3.89	-89.03
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000320136	0	37	-2.0	-106.90	342.62	0.94	-105.96
COC(=O)NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000320136	1	37	-2.0	-113.59	341.86	1.77	-111.82
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000320137	1	39	-2.0	-98.81	355.08	4.00	-94.81
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000320138	1	39	-2.0	-105.86	345.36	3.97	-101.89
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000320142	0	38	-2.0	-107.01	359.44	4.32	-102.69
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000320143	0	36	-2.0	-101.63	344.67	3.35	-98.28
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000320145	0	39	-2.0	-111.46	354.46	3.83	-107.63
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000320146	0	39	-2.0	-110.64	364.68	4.36	-106.28
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000320147	0	39	-2.0	-115.78	357.93	3.92	-111.86
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000320150	1	39	-2.0	-100.80	359.74	4.37	-96.43
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000320151	1	39	-2.0	-109.28	364.13	4.18	-105.10
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000320152	1	40	-2.0	-107.37	360.93	3.45	-103.92
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000320153	1	39	-2.0	-106.28	366.53	4.31	-101.97
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000320156	0	38	-2.0	-116.25	356.66	5.08	-111.17
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000320157	0	36	-2.0	-112.98	336.57	3.26	-109.72
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000320158	1	39	-2.0	-101.14	357.80	3.90	-97.24
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000320159	0	35	-2.0	-109.61	329.12	1.34	-108.27
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000320160	0	40	-2.0	-103.98	361.12	3.02	-100.96
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000320161	0	33	-2.0	-95.68	333.06	2.21	-93.47
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000320162	1	43	-2.0	-101.36	376.89	5.04	-96.32
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000320163	1	43	-2.0	-109.42	378.35	5.11	-104.31
CCC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000320164	0	39	-2.0	-101.26	355.04	3.22	-98.04
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000320165	0	39	-2.0	-110.44	358.98	2.18	-108.26
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000320166	0	39	-2.0	-100.26	354.43	2.17	-98.09
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000320167	0	39	-2.0	-113.19	354.45	2.15	-111.04
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(N)=O	REAL300000320168	0	43	-2.0	-119.05	382.59	1.95	-117.10
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000320169	0	43	-2.0	-99.91	385.90	3.45	-96.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)C=C1C(=O)[O-]	REAL300000320170	0	42	-2.0	-114.37	370.47	2.69	-111.68
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000320171	0	39	-2.0	-108.85	367.52	2.74	-106.11
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000320172	0	39	-2.0	-108.91	366.95	2.55	-106.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)=C1C	REAL300000320173	0	45	-2.0	-116.13	387.55	3.48	-112.65
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000320174	0	39	-2.0	-110.79	359.93	2.22	-108.57
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000320175	0	45	-2.0	-99.43	398.02	3.73	-95.70
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000320176	0	36	-2.0	-107.25	347.63	1.17	-106.08
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(N)=O	REAL300000320177	0	42	-2.0	-114.20	369.88	2.93	-111.27
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000320178	0	43	-2.0	-98.60	385.52	2.45	-96.15
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)C=C1C(=O)[O-]	REAL300000320179	0	40	-2.0	-111.35	361.10	1.50	-109.85
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(N)=O	REAL300000320180	0	43	-2.0	-114.87	378.23	0.99	-113.88
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)=C1	REAL300000320181	0	39	-2.0	-103.31	363.58	1.84	-101.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)C=C1C(=O)[O-]	REAL300000320182	0	45	-2.0	-115.52	385.89	3.47	-112.05
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000320183	0	36	-2.0	-108.69	346.10	1.19	-107.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)C=C1C(=O)[O-]	REAL300000320184	0	43	-2.0	-118.96	381.74	2.22	-116.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(N)=O	REAL300000320185	0	45	-2.0	-112.14	384.57	3.88	-108.26
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)C=C(C(=O)[O-])O1	REAL300000320186	0	39	-2.0	-106.80	357.45	1.29	-105.51
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)=C1	REAL300000320187	0	43	-2.0	-113.55	383.43	1.25	-112.30
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(N)=O	REAL300000320188	0	42	-2.0	-104.54	375.16	2.97	-101.57
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)C=C(C(=O)[O-])S1	REAL300000320189	0	39	-2.0	-110.48	363.07	2.04	-108.44
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000320190	0	39	-2.0	-97.65	367.50	2.72	-94.93
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000320191	0	39	-2.0	-99.61	358.96	2.19	-97.42
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000320192	0	36	-2.0	-102.03	346.70	1.28	-100.75
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000320193	0	39	-2.0	-103.92	360.85	2.22	-101.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)=C1F	REAL300000320194	0	42	-2.0	-112.25	380.20	2.85	-109.40
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000320195	0	39	-2.0	-99.78	359.91	2.22	-97.56
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000320196	0	39	-2.0	-97.72	366.93	2.55	-95.17
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000320197	0	40	-2.0	-113.07	364.16	-0.14	-113.21
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000320198	0	42	-2.0	-104.32	376.62	2.93	-101.39
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(N)=O	REAL300000320199	0	42	-2.0	-108.74	364.49	2.78	-105.96
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)=CC(C(=O)[O-])=C1F	REAL300000320200	0	42	-2.0	-111.82	379.28	2.80	-109.02
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(N)=O	REAL300000320201	0	42	-2.0	-100.29	369.86	2.92	-97.37
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)=CC(C(=O)[O-])=C1C	REAL300000320202	0	45	-2.0	-116.35	387.32	3.22	-113.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)C(C)=C1C(=O)[O-]	REAL300000320203	0	45	-2.0	-113.06	387.98	3.57	-109.49
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)C=C1C(=O)[O-]	REAL300000320204	0	42	-2.0	-111.99	375.92	2.75	-109.24
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)=C1	REAL300000320205	0	42	-2.0	-117.72	379.46	2.84	-114.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)C=C1C(=O)[O-]	REAL300000320206	0	45	-2.0	-115.13	388.41	3.34	-111.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)C=C1C(=O)[O-]	REAL300000320207	0	43	-2.0	-112.63	382.47	2.36	-110.27
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)=CC=C1C(=O)[O-]	REAL300000320208	0	42	-2.0	-101.84	374.50	2.80	-99.04
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(N)=O	REAL300000320209	0	42	-2.0	-111.36	374.40	2.97	-108.39
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000320210	0	39	-2.0	-116.88	358.09	2.19	-114.69
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)C=C1C(=O)[O-]	REAL300000320211	0	42	-2.0	-104.82	375.61	2.73	-102.09
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000320212	0	38	-2.0	-111.03	350.66	0.27	-110.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(N)=O	REAL300000320213	0	43	-2.0	-104.62	382.65	1.95	-102.67
NC(=O)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000320214	0	36	-2.0	-100.67	354.55	1.12	-99.55
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(N)=O)C=C(C(=O)[O-])O1	REAL300000320215	0	42	-2.0	-106.49	376.56	2.14	-104.35
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)=C1	REAL300000320220	0	43	-2.0	-106.28	379.50	5.66	-100.62
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)=C1	REAL300000320221	0	40	-2.0	-103.28	367.20	4.62	-98.66
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)C=C1C(=O)[O-]	REAL300000320223	1	44	-2.0	-107.53	380.67	4.96	-102.57
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)=C1	REAL300000320224	0	43	-2.0	-99.24	383.13	5.28	-93.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)=CS1	REAL300000320225	1	40	-2.0	-104.52	365.67	4.64	-99.88
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)C=C(C(=O)[O-])O1	REAL300000320226	0	43	-2.0	-103.13	377.05	4.74	-98.39
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)C=C(C(=O)[O-])S1	REAL300000320227	1	43	-2.0	-106.55	382.63	5.50	-101.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)S1	REAL300000320229	0	40	-2.0	-98.04	366.28	4.73	-93.31
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)=C1	REAL300000320230	1	43	-2.0	-99.97	380.43	5.66	-94.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)C(F)=C1	REAL300000320231	0	43	-2.0	-95.78	379.49	5.68	-90.10
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)=C1	REAL300000320232	0	44	-2.0	-109.11	383.74	3.31	-105.80
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OCC3CCCO3)C=C2)=C1	REAL300000320232	1	44	-2.0	-109.04	382.86	4.18	-104.86
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)C=C1C(=O)[O-]	REAL300000320236	1	47	-2.0	-108.87	402.04	5.83	-103.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)=C1F	REAL300000320238	0	43	-2.0	-112.77	377.68	5.64	-107.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)=C1	REAL300000320239	0	42	-2.0	-106.35	370.24	3.72	-102.63
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3CCCO3)C=C2)C=C(C(=O)[O-])O1	REAL300000320240	0	46	-2.0	-103.03	396.14	5.60	-97.43
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C(N)=O	REAL300000320241	0	42	-2.0	-93.60	379.44	0.82	-92.78
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320242	0	35	-2.0	-106.88	327.52	2.28	-104.60
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(N)=O	REAL300000320243	0	43	-2.0	-111.51	382.60	3.33	-108.18
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C(N)=O	REAL300000320244	0	35	-2.0	-99.86	322.96	2.24	-97.62
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320245	0	35	-2.0	-109.43	322.98	2.24	-107.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(N)=O	REAL300000320246	0	39	-2.0	-119.16	351.12	2.04	-117.12
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C(N)=O	REAL300000320247	0	39	-2.0	-99.56	354.43	3.53	-96.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000320248	0	38	-2.0	-116.04	339.00	2.77	-113.27
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C(N)=O	REAL300000320249	0	35	-2.0	-108.89	336.05	2.82	-106.07
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320250	0	35	-2.0	-105.39	335.49	2.64	-102.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)=C1C	REAL300000320251	0	41	-2.0	-111.25	356.09	3.57	-107.68
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C(N)=O	REAL300000320252	0	35	-2.0	-110.39	328.46	2.31	-108.08
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C(N)=O	REAL300000320253	0	41	-2.0	-98.40	366.55	3.83	-94.57
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C(N)=O	REAL300000320254	0	32	-2.0	-108.38	316.16	1.27	-107.11
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(N)=O	REAL300000320255	0	38	-2.0	-114.98	338.41	3.02	-111.96
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C(N)=O	REAL300000320256	0	39	-2.0	-97.65	354.05	2.53	-95.12
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320257	0	36	-2.0	-108.42	329.63	1.60	-106.82
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(N)=O	REAL300000320258	0	39	-2.0	-110.22	346.76	1.06	-109.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)=C1	REAL300000320259	0	35	-2.0	-103.47	332.12	1.93	-101.54
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000320260	0	41	-2.0	-116.34	354.42	3.55	-112.79
CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320261	0	32	-2.0	-109.70	314.63	1.28	-108.42
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)=CC(C(=O)[O-])=C1OC	REAL300000320262	0	43	-2.0	-115.08	381.30	2.05	-113.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000320263	0	39	-2.0	-115.42	350.27	2.30	-113.12
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C(N)=O	REAL300000320264	0	45	-2.0	-118.86	378.22	4.86	-114.00
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C(N)=O	REAL300000320265	0	44	-2.0	-117.38	376.88	4.25	-113.13
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(N)=O	REAL300000320266	0	41	-2.0	-106.81	352.44	3.95	-102.86
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(N)=O	REAL300000320267	0	42	-2.0	-120.40	373.41	2.81	-117.59
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320268	0	37	-3.0	-188.04	351.38	2.81	-185.23
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C(N)=O	REAL300000320269	0	42	-2.0	-113.77	367.23	4.13	-109.64
CC1=C(S(=O)(=O)[N-]C2=C(C(N)=O)C(C)=CC=C2)C=C(C(=O)[O-])O1	REAL300000320270	0	35	-2.0	-107.75	325.99	1.38	-106.37
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320271	0	41	-2.0	-115.04	365.15	2.01	-113.03
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)=C1	REAL300000320272	0	39	-2.0	-116.30	351.90	1.32	-114.98
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1C(N)=O	REAL300000320273	0	43	-2.0	-100.00	375.91	2.84	-97.16
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1C(N)=O	REAL300000320274	0	35	-2.0	-105.68	340.57	2.84	-102.84
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1C(N)=O	REAL300000320275	0	39	-2.0	-96.80	370.08	3.06	-93.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)=CC=C1OCC(=O)[O-]	REAL300000320276	0	42	-2.0	-98.29	374.15	3.24	-95.05
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C(N)=O	REAL300000320277	0	38	-2.0	-100.83	343.70	3.06	-97.77
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C(N)=O	REAL300000320278	0	39	-2.0	-97.96	360.27	2.58	-95.38
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000320279	0	42	-2.0	-121.60	372.12	3.21	-118.39
CC1=C(S(=O)(=O)[N-]C2=C(C(N)=O)C(C)=CC=C2)C=C(C(=O)[O-])S1	REAL300000320280	0	35	-2.0	-106.24	332.68	2.13	-104.11
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C(N)=O	REAL300000320281	0	35	-2.0	-97.10	336.03	2.81	-94.29
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C(N)=O	REAL300000320282	0	35	-2.0	-99.80	327.49	2.28	-97.52
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C(N)=O	REAL300000320283	0	32	-2.0	-100.76	315.23	1.37	-99.39
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320284	0	35	-2.0	-101.06	329.38	2.31	-98.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)=C1F	REAL300000320285	0	38	-2.0	-108.91	348.73	2.94	-105.97
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)=C(Cl)C=C1C(=O)[O-]	REAL300000320286	0	39	-2.0	-101.91	363.28	2.87	-99.04
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(N)=O	REAL300000320287	0	35	-2.0	-99.67	328.45	2.32	-97.35
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C(N)=O	REAL300000320288	0	35	-2.0	-97.65	335.47	2.64	-95.01
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1C(N)=O	REAL300000320289	0	38	-2.0	-102.34	352.42	3.45	-98.89
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C(N)=O	REAL300000320290	0	43	-2.0	-96.11	386.72	3.65	-92.46
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320291	0	35	-2.0	-99.20	333.81	2.34	-96.86
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(N)=O	REAL300000320292	0	37	-2.0	-95.71	351.17	2.91	-92.80
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C(N)=O	REAL300000320293	0	36	-2.0	-113.29	332.69	-0.05	-113.34
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C(N)=O	REAL300000320294	0	38	-2.0	-103.09	345.15	3.02	-100.07
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320295	0	35	-2.0	-100.53	343.69	2.78	-97.75
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C(N)=O	REAL300000320296	0	38	-2.0	-106.39	333.02	2.86	-103.53
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)=CC(C(=O)[O-])=C1F	REAL300000320297	0	38	-2.0	-108.33	347.81	2.90	-105.43
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(N)=O	REAL300000320298	0	38	-2.0	-98.86	338.40	3.01	-95.85
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)=CC(C(=O)[O-])=C1C	REAL300000320299	0	41	-2.0	-112.64	356.44	3.32	-109.32
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320300	0	37	-2.0	-107.58	349.54	3.34	-104.24
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C(N)=O	REAL300000320301	0	35	-2.0	-99.81	334.72	2.37	-97.44
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C(N)=O	REAL300000320302	0	41	-2.0	-115.18	356.52	3.65	-111.53
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000320303	0	38	-2.0	-111.63	344.45	2.84	-108.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)=C1Cl	REAL300000320304	0	38	-2.0	-106.95	354.76	3.38	-103.57
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)=C1	REAL300000320305	0	38	-2.0	-120.37	348.02	2.94	-117.43
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000320306	0	41	-2.0	-116.80	357.30	3.42	-113.38
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)C=C1CC(=O)[O-]	REAL300000320307	0	42	-2.0	-114.97	373.45	2.37	-112.60
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1C(N)=O	REAL300000320308	0	38	-2.0	-103.80	349.24	3.41	-100.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)=CC(C(=O)[O-])=C1Cl	REAL300000320309	0	38	-2.0	-107.18	354.20	3.20	-103.98
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000320310	0	39	-2.0	-109.89	350.92	2.44	-107.45
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)C(C)=C1CC(=O)[O-]	REAL300000320311	0	47	-2.0	-112.14	387.89	5.09	-107.05
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320312	0	38	-2.0	-107.53	352.84	3.21	-104.32
CC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320313	0	44	-2.0	-105.16	372.43	4.36	-100.80
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000320314	0	39	-2.0	-114.66	363.30	2.87	-111.79
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)=CC=C1C(=O)[O-]	REAL300000320315	0	38	-2.0	-99.57	338.99	2.79	-96.78
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1C(N)=O	REAL300000320316	0	40	-2.0	-105.12	366.23	4.43	-100.69
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(N)=O	REAL300000320317	0	38	-2.0	-112.42	342.93	3.05	-109.37
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C(N)=O	REAL300000320318	0	37	-2.0	-115.38	346.73	4.09	-111.29
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C(N)=O	REAL300000320319	0	35	-2.0	-113.42	326.62	2.27	-111.15
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320320	0	38	-2.0	-105.70	344.15	2.82	-102.88
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320321	0	41	-2.0	-123.38	364.02	4.36	-119.02
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C(N)=O	REAL300000320322	0	34	-2.0	-111.34	319.20	0.37	-110.97
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(N)=O	REAL300000320323	0	39	-2.0	-103.20	351.18	2.04	-101.16
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C(N)=O	REAL300000320324	0	32	-2.0	-100.99	323.08	1.22	-99.77
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C(N)=O	REAL300000320325	0	42	-2.0	-107.15	369.10	4.13	-103.02
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C(N)=O	REAL300000320326	0	42	-2.0	-107.93	367.07	4.12	-103.81
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000320327	0	38	-2.0	-102.85	345.10	2.22	-100.63
CCOC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1OC	REAL300000320330	1	39	-2.0	-107.19	346.27	5.12	-102.07
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1OC	REAL300000320331	0	43	-2.0	-112.69	374.42	4.92	-107.77
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1OC	REAL300000320332	1	43	-2.0	-94.70	377.72	6.42	-88.28
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1OC	REAL300000320334	0	39	-2.0	-102.89	359.34	5.70	-97.19
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1OC	REAL300000320335	1	39	-2.0	-103.16	358.78	5.52	-97.64
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1OC	REAL300000320336	1	45	-2.0	-110.29	378.95	6.47	-103.82
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1OC	REAL300000320337	0	39	-2.0	-104.40	351.75	5.19	-99.21
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1OC	REAL300000320338	1	45	-2.0	-93.95	389.84	6.72	-87.23
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1OC	REAL300000320339	0	36	-2.0	-101.50	339.46	4.14	-97.36
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1OC	REAL300000320340	1	42	-2.0	-108.19	361.71	5.91	-102.28
CCOC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1OC	REAL300000320342	1	40	-2.0	-105.66	352.92	4.47	-101.19
CCOC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1OC	REAL300000320344	0	39	-2.0	-97.69	355.40	4.80	-92.89
CCOC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1OC	REAL300000320346	0	36	-2.0	-102.96	337.92	4.16	-98.80
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1OC	REAL300000320348	1	48	-2.0	-110.38	400.18	7.14	-103.24
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=CC=C1OC	REAL300000320349	1	45	-2.0	-106.65	376.42	6.84	-99.81
CCOC1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=CC=C1OC	REAL300000320350	0	46	-2.0	-113.26	396.70	5.68	-107.58
CCOC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1OC	REAL300000320351	0	42	-2.0	-110.63	377.15	5.69	-104.94
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1OC	REAL300000320351	1	41	-3.0	-181.59	374.68	5.69	-175.90
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1OC	REAL300000320352	1	46	-2.0	-112.32	390.54	7.03	-105.29
CCOC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1OC	REAL300000320353	0	39	-2.0	-101.19	349.28	4.26	-96.93
CCOC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1OC	REAL300000320354	0	43	-2.0	-108.36	375.26	4.21	-104.15
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1OC	REAL300000320356	1	42	-2.0	-98.81	366.99	5.94	-92.87
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1OC	REAL300000320357	1	43	-2.0	-92.93	383.57	5.47	-87.46
CCOC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1OC	REAL300000320359	1	39	-2.0	-104.65	354.87	5.02	-99.63
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1OC	REAL300000320360	0	39	-2.0	-92.55	359.32	5.69	-86.86
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1OC	REAL300000320361	1	39	-2.0	-94.44	350.79	5.17	-89.27
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1OC	REAL300000320362	0	36	-2.0	-96.42	338.54	4.26	-92.16
CCOC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1OC	REAL300000320363	1	39	-2.0	-98.13	352.68	5.19	-92.94
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1OC	REAL300000320364	0	42	-2.0	-105.77	372.05	5.83	-99.94
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1OC	REAL300000320365	0	39	-2.0	-94.26	351.73	5.20	-89.06
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1OC	REAL300000320366	1	39	-2.0	-92.45	358.76	5.53	-86.92
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1OC	REAL300000320367	1	42	-2.0	-100.45	375.72	6.33	-94.12
CCOC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1OC	REAL300000320368	1	39	-2.0	-96.37	357.09	5.22	-91.15
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1OC	REAL300000320369	1	41	-2.0	-92.34	374.46	5.80	-86.54
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1OC	REAL300000320370	0	40	-2.0	-107.08	355.99	2.84	-104.24
CCOC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1OC	REAL300000320370	1	40	-2.0	-104.82	345.01	3.72	-101.10
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1OC	REAL300000320371	1	42	-2.0	-98.40	368.44	5.91	-92.49
CCOC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1OC	REAL300000320372	1	42	-2.0	-103.51	356.35	5.77	-97.74
CCOC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1OC	REAL300000320376	0	41	-2.0	-105.66	372.83	6.21	-99.45
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1OC	REAL300000320377	0	39	-2.0	-96.06	358.03	5.25	-90.81
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1OC	REAL300000320379	0	42	-2.0	-105.47	367.75	5.73	-99.74
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1OC	REAL300000320380	0	42	-2.0	-104.67	378.02	6.26	-98.41
CCOC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1OC	REAL300000320381	0	42	-2.0	-112.01	371.31	5.82	-106.19
CCOC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1OC	REAL300000320384	1	42	-2.0	-96.77	372.54	6.30	-90.47
CCOC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1OC	REAL300000320385	1	42	-2.0	-104.91	377.51	6.08	-98.83
CCOC1=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=CC=C1OC	REAL300000320386	1	43	-2.0	-106.92	374.29	5.34	-101.58
CCOC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1OC	REAL300000320387	1	42	-2.0	-101.70	380.01	6.19	-95.51
CCOC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1OC	REAL300000320390	0	41	-2.0	-114.37	370.00	6.97	-107.40
CCOC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1OC	REAL300000320391	0	39	-2.0	-111.28	349.89	5.15	-106.13
CCOC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1OC	REAL300000320392	1	42	-2.0	-99.90	371.21	5.80	-94.10
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1OC	REAL300000320393	0	38	-2.0	-104.29	343.26	3.18	-101.11
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1OC	REAL300000320394	0	43	-2.0	-99.12	374.48	4.92	-94.20
CCOC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1OC	REAL300000320395	0	36	-2.0	-95.04	346.42	4.10	-90.94
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1OC	REAL300000320396	1	46	-2.0	-101.49	392.40	7.01	-94.48
CCOC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1OC	REAL300000320397	1	46	-2.0	-104.88	391.71	7.01	-97.87
CCOC1=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=CC=C1OC	REAL300000320398	0	42	-2.0	-101.08	368.40	5.11	-95.97
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000320399	0	42	-2.0	-86.77	379.66	3.92	-82.85
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000320400	0	35	-2.0	-103.07	327.72	5.37	-97.70
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000320401	0	43	-2.0	-103.95	382.81	6.44	-97.51
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000320402	0	35	-2.0	-93.30	323.18	5.36	-87.94
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000320403	0	35	-2.0	-105.59	323.19	5.34	-100.25
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000320404	0	39	-2.0	-110.70	351.33	5.14	-105.56
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000320405	0	39	-2.0	-92.87	354.65	6.63	-86.24
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000320406	0	38	-2.0	-106.78	339.21	5.87	-100.91
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000320407	0	35	-2.0	-100.94	336.27	5.90	-95.04
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000320408	0	35	-2.0	-101.47	335.70	5.73	-95.74
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000320409	0	41	-2.0	-107.99	356.29	6.67	-101.32
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000320410	0	35	-2.0	-102.68	328.66	5.39	-97.29
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000320411	0	41	-2.0	-92.02	366.76	6.93	-85.09
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000320412	0	32	-2.0	-99.94	316.38	4.36	-95.58
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000320413	0	38	-2.0	-106.10	338.62	6.12	-99.98
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000320414	0	39	-2.0	-91.50	354.27	5.61	-85.89
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000320415	0	36	-2.0	-104.01	329.84	4.68	-99.33
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000320416	1	39	-2.0	-106.79	346.97	4.19	-102.60
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000320417	0	35	-2.0	-96.15	332.30	5.01	-91.14
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000320418	0	41	-2.0	-108.66	358.64	6.75	-101.91
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000320419	0	32	-2.0	-101.37	314.84	4.37	-97.00
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000320420	0	43	-2.0	-106.14	381.50	5.15	-100.99
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000320421	0	39	-2.0	-111.51	350.48	5.42	-106.09
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000320422	0	45	-2.0	-110.13	378.42	7.97	-102.16
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000320423	0	44	-2.0	-108.21	377.09	7.35	-100.86
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000320424	0	41	-2.0	-104.15	353.31	7.07	-97.08
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000320425	0	42	-2.0	-110.38	373.62	5.90	-104.48
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000320426	0	37	-3.0	-180.76	351.59	5.90	-174.86
CCOC1=CC(F)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000320426	1	38	-2.0	-107.45	351.64	5.85	-101.60
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000320427	0	42	-2.0	-110.36	367.43	7.23	-103.13
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000320428	0	35	-2.0	-99.45	326.19	4.47	-94.98
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000320429	0	41	-2.0	-110.48	365.35	5.11	-105.37
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000320430	0	39	-2.0	-106.86	352.11	4.43	-102.43
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000320431	0	43	-2.0	-92.10	376.10	5.94	-86.16
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000320432	0	35	-2.0	-97.71	340.78	5.94	-91.77
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000320433	0	42	-2.0	-91.98	374.35	6.32	-85.66
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000320434	0	38	-2.0	-96.88	343.90	6.14	-90.74
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000320435	0	39	-2.0	-91.04	360.48	5.69	-85.35
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC)C=C1C(=O)[O-]	REAL300000320436	0	42	-2.0	-112.13	372.32	6.31	-105.82
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000320437	0	35	-2.0	-102.52	332.89	5.22	-97.30
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000320438	0	35	-2.0	-90.86	336.24	5.91	-84.95
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000320439	0	35	-2.0	-92.81	327.73	5.38	-87.43
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000320440	0	32	-2.0	-94.95	315.45	4.46	-90.49
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000320441	0	35	-2.0	-96.51	329.61	5.40	-91.11
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000320442	0	38	-2.0	-104.10	348.94	6.03	-98.07
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000320443	0	35	-2.0	-92.81	328.65	5.41	-87.40
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000320444	0	35	-2.0	-90.87	335.69	5.75	-85.12
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000320445	0	38	-2.0	-98.55	352.63	6.54	-92.01
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000320446	0	43	-2.0	-89.60	386.93	6.76	-82.84
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000320447	0	35	-2.0	-94.75	334.01	5.43	-89.32
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000320448	0	37	-2.0	-90.79	351.38	6.01	-84.78
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000320449	0	36	-2.0	-104.82	332.91	3.03	-101.79
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000320450	0	38	-2.0	-96.66	345.37	6.12	-90.54
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000320451	0	35	-2.0	-96.18	343.89	5.87	-90.31
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000320452	0	38	-2.0	-101.92	333.23	5.99	-95.93
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000320453	0	38	-2.0	-104.54	348.02	5.99	-98.55
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000320454	0	38	-2.0	-93.35	338.60	6.11	-87.24
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000320455	0	41	-2.0	-108.68	356.07	6.40	-102.28
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000320456	0	37	-2.0	-104.02	349.77	6.43	-97.59
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000320457	0	35	-2.0	-94.48	334.92	5.46	-89.02
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000320458	0	41	-2.0	-106.36	356.72	6.74	-99.62
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000320459	0	38	-2.0	-104.95	348.50	6.03	-98.92
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000320460	0	38	-2.0	-102.72	354.97	6.48	-96.24
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000320461	0	38	-2.0	-110.63	348.24	6.02	-104.61
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000320462	0	41	-2.0	-107.49	357.16	6.52	-100.97
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000320463	0	42	-2.0	-108.16	373.65	5.47	-102.69
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000320464	0	38	-2.0	-95.23	349.45	6.51	-88.72
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000320465	0	38	-2.0	-103.23	354.41	6.30	-96.93
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000320466	0	39	-2.0	-105.28	351.21	5.56	-99.72
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000320467	1	47	-2.0	-106.12	388.34	8.21	-97.91
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000320468	0	38	-2.0	-99.06	353.05	6.32	-92.74
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000320469	0	38	-2.0	-94.98	343.26	5.98	-89.00
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000320470	0	40	-2.0	-97.50	366.44	7.52	-89.98
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000320471	0	38	-2.0	-103.53	343.14	6.16	-97.37
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000320472	0	37	-2.0	-112.87	346.93	7.18	-105.69
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000320473	0	35	-2.0	-109.88	326.85	5.37	-104.51
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000320474	0	38	-2.0	-97.30	344.35	5.91	-91.39
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000320475	0	41	-2.0	-113.85	364.23	7.46	-106.39
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000320476	0	34	-2.0	-103.29	319.40	3.45	-99.84
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000320477	0	39	-2.0	-97.36	351.39	5.13	-92.23
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000320478	0	32	-2.0	-93.47	323.29	4.30	-89.17
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000320479	0	42	-2.0	-99.66	369.32	7.22	-92.44
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000320480	0	42	-2.0	-102.62	367.28	7.21	-95.41
CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000320481	0	38	-2.0	-99.14	345.30	5.33	-93.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CN=C3)=C2)C=C1	REAL300000320482	1	41	-2.0	-98.70	371.74	6.51	-92.19
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CN=C3)=C2)=C1	REAL300000320483	1	41	-2.0	-110.93	371.76	6.51	-104.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CN=C3)=C2)C=C1C(=O)[O-]	REAL300000320484	1	44	-2.0	-112.65	387.78	7.04	-105.61
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CN=C3)=C2)=C1	REAL300000320485	0	38	-2.0	-105.25	364.95	5.51	-99.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC2=CC=CN=C2)=C1	REAL300000320486	1	44	-2.0	-111.05	387.20	7.28	-103.77
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CN=C3)=C2)C=C1C(=O)[O-]	REAL300000320487	0	42	-2.0	-109.44	378.40	5.84	-103.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CN=C3)=C2)=CS1	REAL300000320488	0	38	-2.0	-106.67	363.41	5.53	-101.14
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CN=C3)=C2)C=C(C(=O)[O-])O1	REAL300000320489	0	41	-2.0	-104.51	374.77	5.63	-98.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CN=C3)=C2)S1	REAL300000320490	0	38	-2.0	-100.48	364.03	5.63	-94.85
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CN=C3)=C2)C=C1	REAL300000320491	1	44	-2.0	-101.76	393.93	7.28	-94.48
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC2=CC=CN=C2)=C1	REAL300000320492	1	44	-2.0	-108.06	381.83	7.14	-100.92
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC2=CC=CN=C2)=C1	REAL300000320493	1	44	-2.0	-98.68	387.18	7.27	-91.41
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CN=C3)=C2)=CC=C1C(=O)[O-]	REAL300000320494	1	44	-2.0	-98.85	387.77	7.05	-91.80
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CN=C3)=C2)=C1	REAL300000320495	0	40	-2.0	-108.64	367.98	4.62	-104.02
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000320496	1	38	-2.0	-106.23	347.96	4.16	-102.07
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000320497	1	38	-2.0	-92.74	343.40	4.14	-88.60
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000320498	1	38	-2.0	-104.56	343.44	4.13	-100.43
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000320499	0	42	-2.0	-109.23	371.57	3.93	-105.30
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000320500	1	42	-2.0	-92.58	374.87	5.42	-87.16
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000320501	1	41	-2.0	-106.92	363.51	4.78	-102.14
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000320502	0	38	-2.0	-104.97	356.50	4.70	-100.27
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000320503	1	38	-2.0	-104.51	355.93	4.52	-99.99
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000320504	1	44	-2.0	-112.38	375.82	5.45	-106.93
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000320505	0	38	-2.0	-106.38	348.90	4.19	-102.19
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000320506	1	44	-2.0	-91.67	386.99	5.72	-85.95
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000320507	0	35	-2.0	-102.95	336.61	3.15	-99.80
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000320508	1	41	-2.0	-105.10	358.86	4.92	-100.18
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000320509	1	42	-2.0	-91.25	374.49	4.41	-86.84
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000320510	0	39	-2.0	-103.05	350.08	3.48	-99.57
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1	REAL300000320511	1	42	-2.0	-105.85	367.22	2.97	-102.88
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000320512	0	38	-2.0	-95.37	352.53	3.81	-91.56
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1	REAL300000320513	1	44	-2.0	-106.59	374.47	5.47	-101.12
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000320514	0	35	-2.0	-104.39	335.07	3.17	-101.22
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300000320515	1	42	-2.0	-110.42	370.72	4.20	-106.22
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000320516	1	47	-2.0	-107.08	397.32	6.15	-100.93
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1	REAL300000320517	1	44	-2.0	-103.66	373.60	5.86	-97.80
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000320518	0	45	-2.0	-110.08	393.86	4.69	-105.39
CCNC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000320519	0	41	-2.0	-114.28	374.55	4.68	-109.60
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000320519	1	40	-3.0	-182.52	371.83	4.69	-177.83
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000320520	1	45	-2.0	-114.48	387.67	6.03	-108.45
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000320521	0	38	-2.0	-98.64	346.46	3.28	-95.36
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000320522	0	42	-2.0	-109.48	372.39	3.22	-106.26
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1	REAL300000320523	1	45	-2.0	-91.61	394.58	5.12	-86.49
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000320524	1	41	-2.0	-100.96	364.15	4.95	-96.01
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000320525	1	42	-2.0	-90.98	380.72	4.48	-86.50
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)C=C1	REAL300000320526	1	45	-2.0	-115.07	392.56	5.11	-109.96
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000320527	0	38	-2.0	-101.84	352.05	4.04	-97.80
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000320528	0	38	-2.0	-93.93	356.48	4.69	-89.24
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000320529	1	38	-2.0	-92.53	347.96	4.17	-88.36
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000320530	0	35	-2.0	-94.27	335.68	3.26	-91.01
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000320531	1	38	-2.0	-95.71	349.83	4.20	-91.51
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000320532	0	41	-2.0	-107.75	369.18	4.83	-102.92
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000320533	0	38	-2.0	-95.54	348.89	4.20	-91.34
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000320534	1	38	-2.0	-90.42	355.93	4.53	-85.89
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000320535	1	41	-2.0	-102.71	372.88	5.34	-97.37
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000320536	1	38	-2.0	-94.21	354.25	4.22	-89.99
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000320537	0	40	-2.0	-90.09	371.62	4.80	-85.29
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000320538	0	39	-2.0	-103.83	353.13	1.85	-101.98
CCNC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000320538	1	39	-2.0	-109.22	352.36	2.66	-106.56
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000320539	1	41	-2.0	-95.63	365.59	4.91	-90.72
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000320540	1	41	-2.0	-102.55	356.71	4.88	-97.67
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000320541	1	41	-2.0	-107.47	368.26	4.78	-102.69
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000320542	1	41	-2.0	-96.87	358.84	4.91	-91.96
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000320543	1	44	-2.0	-111.48	376.30	5.20	-106.28
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000320544	0	40	-2.0	-103.63	370.00	5.22	-98.41
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000320545	0	38	-2.0	-97.85	355.18	4.26	-93.59
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1	REAL300000320546	1	44	-2.0	-105.60	376.81	5.54	-100.06
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000320547	0	41	-2.0	-107.38	364.90	4.73	-102.65
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000320548	0	41	-2.0	-106.69	375.19	5.27	-101.42
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000320549	0	41	-2.0	-112.49	368.44	4.82	-107.67
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=C1	REAL300000320550	1	44	-2.0	-110.29	377.36	5.32	-104.97
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=C1	REAL300000320551	1	45	-2.0	-107.33	393.90	4.26	-103.07
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000320552	1	41	-2.0	-97.46	370.21	5.28	-92.18
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000320553	1	41	-2.0	-106.20	374.65	5.09	-101.11
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000320554	0	42	-2.0	-104.28	371.45	4.35	-99.93
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000320555	1	41	-2.0	-99.15	377.16	5.20	-93.95
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000320556	1	41	-2.0	-96.45	359.43	4.67	-91.78
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1	REAL300000320557	1	41	-2.0	-108.09	363.38	4.95	-103.14
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000320558	0	40	-2.0	-112.23	367.18	5.99	-106.24
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000320559	0	38	-2.0	-109.02	347.08	4.16	-104.86
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000320560	1	41	-2.0	-97.48	368.37	4.81	-92.67
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000320561	1	44	-2.0	-112.54	384.46	6.26	-106.28
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000320562	0	37	-2.0	-106.14	339.64	2.26	-103.88
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000320563	0	42	-2.0	-100.54	371.63	3.94	-96.60
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000320564	0	35	-2.0	-92.73	343.58	3.11	-89.62
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000320565	1	45	-2.0	-98.54	387.40	5.96	-92.58
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000320566	1	45	-2.0	-106.17	388.87	6.02	-100.15
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000320567	0	41	-2.0	-98.49	365.55	4.13	-94.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=CC=C1F	REAL300000320568	0	39	-2.0	-111.53	354.56	3.86	-107.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1	REAL300000320569	0	39	-2.0	-100.96	349.99	3.83	-97.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1	REAL300000320570	0	39	-2.0	-113.05	350.03	3.82	-109.23
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCCO2)N=C1	REAL300000320571	0	43	-2.0	-119.04	378.15	3.64	-115.40
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1	REAL300000320572	0	43	-2.0	-100.68	381.46	5.13	-95.55
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1C(=O)[O-]	REAL300000320573	0	42	-2.0	-115.27	366.02	4.36	-110.91
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1	REAL300000320574	0	39	-2.0	-109.12	363.08	4.41	-104.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=CC=C1Cl	REAL300000320575	0	39	-2.0	-109.92	362.53	4.22	-105.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1C	REAL300000320576	0	45	-2.0	-116.27	382.40	5.14	-111.13
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1	REAL300000320577	0	39	-2.0	-110.74	355.48	3.89	-106.85
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1	REAL300000320578	0	45	-2.0	-99.97	393.57	5.41	-94.56
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1	REAL300000320579	0	36	-2.0	-107.37	343.19	2.86	-104.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCCO2)N=C1	REAL300000320580	0	42	-2.0	-114.40	365.44	4.62	-109.78
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1	REAL300000320581	0	43	-2.0	-99.27	381.08	4.11	-95.16
CN1C=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1C(=O)[O-]	REAL300000320582	0	40	-2.0	-111.58	356.65	3.19	-108.39
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCCO2)N=C1	REAL300000320583	0	43	-2.0	-114.76	374.21	2.64	-112.12
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1	REAL300000320584	0	39	-2.0	-103.98	359.13	3.51	-100.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1C(=O)[O-]	REAL300000320585	0	45	-2.0	-115.64	381.46	5.14	-110.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=CS1	REAL300000320586	0	36	-2.0	-109.57	341.66	2.87	-106.70
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1C(=O)[O-]	REAL300000320587	0	43	-2.0	-118.89	377.30	3.90	-114.99
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCCO2)N=C1	REAL300000320588	0	48	-2.0	-116.55	403.90	5.84	-110.71
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCCO2)N=C1	REAL300000320589	0	45	-2.0	-112.77	380.15	5.54	-107.23
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCCO2)N=C1	REAL300000320590	0	46	-2.0	-119.00	400.44	4.40	-114.60
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1	REAL300000320591	0	41	-3.0	-188.27	378.43	4.40	-183.87
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1	REAL300000320592	0	46	-2.0	-118.55	394.27	5.73	-112.82
CC1=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C(C(=O)[O-])O1	REAL300000320593	0	39	-2.0	-107.23	353.01	2.98	-104.25
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1	REAL300000320594	0	43	-2.0	-115.04	378.99	2.93	-112.11
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=CC=C1OCC(=O)[O-]	REAL300000320595	0	46	-2.0	-99.73	401.16	4.82	-94.91
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCCO2)N=C1	REAL300000320596	0	42	-2.0	-104.84	370.71	4.65	-100.19
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1F	REAL300000320597	0	43	-2.0	-98.72	387.31	4.17	-94.55
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1C(=O)[O-]	REAL300000320598	0	46	-2.0	-120.61	399.15	4.81	-115.80
CC1=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C(C(=O)[O-])S1	REAL300000320599	0	39	-2.0	-110.57	359.70	3.72	-106.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C(Cl)=C1	REAL300000320600	0	39	-2.0	-98.61	363.05	4.40	-94.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1F	REAL300000320601	0	39	-2.0	-100.27	354.53	3.87	-96.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)S1	REAL300000320602	0	36	-2.0	-102.73	342.28	2.95	-99.78
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1	REAL300000320603	0	39	-2.0	-103.97	356.41	3.90	-100.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1F	REAL300000320604	0	42	-2.0	-112.13	375.76	4.53	-107.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C(F)=C1	REAL300000320605	0	39	-2.0	-100.40	355.47	3.91	-96.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1Cl	REAL300000320606	0	39	-2.0	-98.40	362.51	4.24	-94.16
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCCO2)N=C1	REAL300000320607	0	42	-2.0	-106.60	379.45	5.04	-101.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=CC(F)=C1F	REAL300000320608	0	39	-2.0	-102.91	360.83	3.93	-98.98
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1	REAL300000320609	0	41	-2.0	-98.66	378.20	4.50	-94.16
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1	REAL300000320610	0	40	-2.0	-113.55	359.72	1.55	-112.00
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1	REAL300000320611	0	42	-2.0	-104.79	372.17	4.61	-100.18
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC2CCCO2)N=C1	REAL300000320612	0	42	-2.0	-109.85	360.06	4.46	-105.39
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000320613	0	42	-2.0	-111.82	374.86	4.48	-107.34
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2CCCO2)N=C1	REAL300000320614	0	42	-2.0	-101.14	365.42	4.61	-96.53
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000320615	0	45	-2.0	-117.44	387.50	5.02	-112.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=CC=C1[N+](=O)[O-]	REAL300000320616	0	41	-2.0	-110.97	376.58	4.92	-106.05
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1	REAL300000320617	0	39	-2.0	-102.32	361.76	3.95	-98.37
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C(C)=C1C(=O)[O-]	REAL300000320618	0	45	-2.0	-113.98	384.48	5.20	-108.78
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1C(=O)[O-]	REAL300000320619	0	42	-2.0	-113.05	375.32	4.53	-108.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1Cl	REAL300000320620	0	42	-2.0	-110.91	381.75	4.96	-105.95
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1	REAL300000320621	0	42	-2.0	-118.52	375.02	4.53	-113.99
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1C(=O)[O-]	REAL300000320622	0	45	-2.0	-115.99	384.29	5.01	-110.98
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1CC(=O)[O-]	REAL300000320623	0	46	-2.0	-115.09	400.48	3.96	-111.13
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(CC2CCCO2)N=C1	REAL300000320624	0	42	-2.0	-103.03	376.27	5.01	-98.02
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000320625	0	42	-2.0	-110.62	381.25	4.78	-105.84
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1C(=O)[O-]	REAL300000320626	0	43	-2.0	-112.85	378.03	4.06	-108.79
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1C(=O)[O-]	REAL300000320627	0	42	-2.0	-108.41	383.75	4.89	-103.52
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=CC=C1C(=O)[O-]	REAL300000320628	0	42	-2.0	-101.06	366.03	4.37	-96.69
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCCO2)N=C1	REAL300000320629	0	42	-2.0	-111.68	369.96	4.64	-107.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1[N+](=O)[O-]	REAL300000320630	0	41	-2.0	-121.02	373.74	5.69	-115.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1F	REAL300000320631	0	39	-2.0	-117.80	353.67	3.86	-113.94
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C1C(=O)[O-]	REAL300000320632	0	42	-2.0	-106.54	374.94	4.51	-102.03
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C1	REAL300000320633	0	38	-2.0	-110.80	346.23	1.95	-108.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2CCCO2)N=C1	REAL300000320634	0	43	-2.0	-105.24	378.21	3.63	-101.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)=C(Cl)O1	REAL300000320635	0	36	-2.0	-101.13	350.15	2.80	-98.33
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(CC4CCCO4)N=C3)C=C2)CC1	REAL300000320636	0	46	-2.0	-107.45	396.15	5.71	-101.74
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(CC4CCCO4)N=C3)C=C2C1	REAL300000320637	0	46	-2.0	-110.33	395.44	5.71	-104.62
CCC1=C(S(=O)(=O)[N-]C2=CN(CC3CCCO3)N=C2)C=C(C(=O)[O-])O1	REAL300000320638	0	42	-2.0	-107.16	372.14	3.83	-103.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=CC=C1F	REAL300000320639	1	34	-2.0	-102.89	334.62	5.92	-96.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1	REAL300000320640	1	34	-2.0	-93.16	330.06	5.90	-87.26
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C1	REAL300000320641	1	34	-2.0	-107.16	330.09	5.89	-101.27
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CS2)C=C1	REAL300000320642	0	38	-2.0	-110.57	358.22	5.69	-104.88
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1	REAL300000320643	1	38	-2.0	-92.69	361.53	7.19	-85.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1C(=O)[O-]	REAL300000320644	1	37	-2.0	-106.41	346.10	6.43	-99.98
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C1	REAL300000320645	0	34	-2.0	-100.93	343.15	6.47	-94.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=CC=C1Cl	REAL300000320646	1	34	-2.0	-101.24	342.59	6.29	-94.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C1C	REAL300000320647	1	40	-2.0	-108.00	362.48	7.20	-100.80
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C1	REAL300000320648	0	34	-2.0	-102.45	335.56	5.96	-96.49
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1	REAL300000320649	1	40	-2.0	-91.85	373.65	7.48	-84.37
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C1	REAL300000320650	0	31	-2.0	-99.73	323.27	4.92	-94.81
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CS2)C=C1	REAL300000320651	1	37	-2.0	-106.27	345.51	6.68	-99.59
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1	REAL300000320652	1	38	-2.0	-91.37	361.15	6.18	-85.19
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1C(=O)[O-]	REAL300000320653	0	35	-2.0	-105.46	336.74	5.24	-100.22
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C1	REAL300000320655	0	34	-2.0	-97.60	339.21	5.57	-92.03
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1C(=O)[O-]	REAL300000320656	1	40	-2.0	-107.44	361.54	7.21	-100.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=CS1	REAL300000320657	0	31	-2.0	-101.12	321.73	4.92	-96.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1C(=O)[O-]	REAL300000320658	1	38	-2.0	-111.21	357.36	5.96	-105.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CS2)C=C1	REAL300000320659	1	40	-2.0	-104.70	360.23	7.63	-97.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C(C(=O)[O-])O1	REAL300000320660	0	34	-2.0	-101.36	333.12	5.03	-96.33
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C1	REAL300000320661	0	38	-2.0	-106.45	359.05	4.98	-101.47
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CS2)C=C1	REAL300000320662	1	37	-2.0	-99.05	350.79	6.72	-92.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C(C(=O)[O-])S1	REAL300000320663	0	34	-2.0	-105.00	338.69	5.77	-99.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C(Cl)=C1	REAL300000320664	0	34	-2.0	-90.74	343.13	6.45	-84.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1F	REAL300000320665	1	34	-2.0	-92.73	334.60	5.93	-86.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)S1	REAL300000320666	0	31	-2.0	-96.41	322.34	5.01	-91.40
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C1	REAL300000320667	1	34	-2.0	-96.27	336.49	5.96	-90.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C1F	REAL300000320668	0	37	-2.0	-103.77	355.84	6.60	-97.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C(F)=C1	REAL300000320669	0	34	-2.0	-92.50	335.55	5.96	-86.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1Cl	REAL300000320670	1	34	-2.0	-90.75	342.57	6.30	-84.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=CC(F)=C1F	REAL300000320671	1	34	-2.0	-96.16	340.91	5.98	-90.18
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C1	REAL300000320672	0	35	-2.0	-105.09	339.80	3.61	-101.48
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=NC=CS3)C=C2)=C1	REAL300000320672	1	35	-2.0	-105.41	339.01	4.40	-101.01
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1	REAL300000320673	1	37	-2.0	-96.36	352.25	6.68	-89.68
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CS2)C=C1	REAL300000320674	1	37	-2.0	-102.76	343.90	6.63	-96.13
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000320675	1	37	-2.0	-104.21	354.92	6.54	-97.67
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CS2)C=C1	REAL300000320676	1	37	-2.0	-93.43	345.49	6.67	-86.76
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000320677	1	40	-2.0	-108.26	362.96	6.95	-101.31
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C1	REAL300000320678	0	34	-2.0	-94.19	341.84	6.02	-88.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C(C)=C1C(=O)[O-]	REAL300000320679	1	40	-2.0	-107.40	363.47	7.30	-100.10
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1C(=O)[O-]	REAL300000320680	0	37	-2.0	-103.50	351.56	6.49	-97.01
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C1	REAL300000320681	0	37	-2.0	-110.19	355.12	6.59	-103.60
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1C(=O)[O-]	REAL300000320682	1	40	-2.0	-107.03	364.32	7.07	-99.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1C(=O)[O-]	REAL300000320683	0	38	-2.0	-106.73	358.10	6.11	-100.62
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=CC=C1C(=O)[O-]	REAL300000320684	1	37	-2.0	-94.87	346.09	6.44	-88.43
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CS2)C=C1	REAL300000320685	1	37	-2.0	-103.75	350.03	6.71	-97.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C1F	REAL300000320686	0	34	-2.0	-109.49	333.70	5.92	-103.57
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C1C(=O)[O-]	REAL300000320687	1	37	-2.0	-98.01	355.02	6.56	-91.45
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C1	REAL300000320688	0	33	-2.0	-102.91	326.29	4.02	-98.89
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CS2)C=C1	REAL300000320689	0	38	-2.0	-98.91	358.29	5.70	-93.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)=C(Cl)O1	REAL300000320690	0	31	-2.0	-93.31	330.23	4.87	-88.44
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CS3)C=C2)C=C(C(=O)[O-])O1	REAL300000320691	0	37	-2.0	-99.26	352.21	5.89	-93.37
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000320692	0	42	-2.0	-88.15	383.34	1.21	-86.94
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000320693	0	35	-2.0	-103.98	331.40	2.67	-101.31
COCCN1C=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=N1	REAL300000320694	0	43	-2.0	-105.30	386.49	3.73	-101.57
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000320695	0	35	-2.0	-94.18	326.86	2.63	-91.55
COCCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000320696	0	35	-2.0	-106.29	326.87	2.64	-103.65
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000320697	0	39	-2.0	-112.02	355.01	2.44	-109.58
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000320698	0	39	-2.0	-93.87	358.33	3.93	-89.94
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000320699	0	38	-2.0	-107.19	342.89	3.15	-104.04
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000320700	0	35	-2.0	-102.42	339.95	3.20	-99.22
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000320701	0	35	-2.0	-102.30	339.38	3.03	-99.27
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=N1	REAL300000320702	0	35	-2.0	-98.14	352.45	3.56	-94.58
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=N1	REAL300000320703	0	41	-2.0	-109.72	359.27	3.94	-105.78
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000320704	0	35	-2.0	-103.68	332.35	2.69	-100.99
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000320705	0	41	-2.0	-93.14	370.45	4.21	-88.93
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000320706	0	32	-2.0	-100.68	320.05	1.65	-99.03
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300000320707	0	38	-2.0	-107.87	342.30	3.41	-104.46
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000320708	0	39	-2.0	-92.60	357.95	2.91	-89.69
COCCN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000320709	0	36	-2.0	-104.83	333.52	1.98	-102.85
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=N1	REAL300000320710	0	39	-2.0	-108.59	350.65	1.47	-107.12
COCCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=N1	REAL300000320711	0	35	-2.0	-96.79	335.98	2.30	-94.49
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=N1	REAL300000320712	0	41	-2.0	-109.06	358.33	3.94	-105.12
COCCN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000320713	0	32	-2.0	-102.05	318.52	1.66	-100.39
COCCN1C=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000320714	0	43	-2.0	-106.63	385.21	2.44	-104.19
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000320715	0	39	-2.0	-112.17	354.16	2.70	-109.47
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000320716	0	45	-2.0	-111.54	382.13	5.26	-106.28
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=N1	REAL300000320717	0	44	-2.0	-109.95	380.78	4.63	-105.32
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCOC)N=C1	REAL300000320718	0	41	-2.0	-106.44	357.04	4.35	-102.09
COCCN1C=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=N1	REAL300000320719	0	42	-2.0	-111.86	377.30	3.21	-108.65
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000320720	0	37	-3.0	-179.95	355.29	3.19	-176.76
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000320721	0	42	-2.0	-111.85	371.12	4.53	-107.32
COCCN1C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=N1	REAL300000320722	0	35	-2.0	-100.84	329.88	1.77	-99.07
COCCN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000320723	0	41	-2.0	-111.11	369.05	2.40	-108.71
COCCN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=N1	REAL300000320724	0	39	-2.0	-106.62	355.79	1.72	-104.90
COCCN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000320725	0	43	-2.0	-93.71	380.51	3.24	-90.47
COCCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000320726	0	35	-2.0	-96.06	354.56	3.47	-92.59
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000320727	0	35	-2.0	-99.39	344.46	3.23	-96.16
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000320728	0	39	-2.0	-91.20	373.97	3.45	-87.75
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=N1	REAL300000320729	0	42	-2.0	-93.03	378.03	3.62	-89.41
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=N1	REAL300000320730	0	38	-2.0	-98.51	347.58	3.45	-95.06
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)C=N1	REAL300000320731	0	48	-2.0	-93.33	420.47	4.55	-88.78
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000320732	0	39	-2.0	-92.21	364.16	2.98	-89.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CCOC)N=C2)C=C1C(=O)[O-]	REAL300000320733	0	42	-2.0	-112.65	376.01	3.60	-109.05
COCCN1C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=N1	REAL300000320734	0	35	-2.0	-104.15	336.57	2.51	-101.64
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000320735	0	35	-2.0	-96.22	355.09	3.65	-92.57
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000320736	0	35	-2.0	-91.76	339.92	3.19	-88.57
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000320737	0	35	-2.0	-93.74	331.40	2.67	-91.07
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000320738	0	32	-2.0	-95.72	319.13	1.75	-93.97
COCCN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000320739	0	35	-2.0	-97.32	333.28	2.69	-94.63
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=N1	REAL300000320740	0	38	-2.0	-105.08	352.63	3.34	-101.74
COCCN1C=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000320741	0	39	-2.0	-96.44	367.18	3.27	-93.17
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000320742	0	35	-2.0	-93.31	332.33	2.70	-90.61
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000320743	0	35	-2.0	-91.75	339.37	3.02	-88.73
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=N1	REAL300000320744	0	38	-2.0	-100.20	356.31	3.83	-96.37
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000320745	0	43	-2.0	-90.84	390.62	4.04	-86.80
COCCN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000320746	0	35	-2.0	-95.71	337.70	2.71	-93.00
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000320747	0	37	-2.0	-91.52	355.06	3.29	-88.23
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000320748	0	36	-2.0	-106.95	336.59	0.36	-106.59
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000320749	0	38	-2.0	-97.77	349.05	3.40	-94.37
COCCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000320750	0	35	-2.0	-97.05	347.59	3.15	-93.90
COCCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000320751	0	38	-2.0	-102.11	336.92	3.27	-98.84
COCCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000320752	0	38	-2.0	-105.33	351.71	3.28	-102.05
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000320753	0	38	-2.0	-94.66	342.28	3.41	-91.25
COCCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000320754	0	41	-2.0	-110.46	363.67	3.80	-106.66
COCCN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000320755	0	37	-2.0	-104.90	353.45	3.72	-101.18
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000320756	0	35	-2.0	-95.42	338.63	2.76	-92.66
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000320757	0	41	-2.0	-106.42	360.26	4.05	-102.37
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=N1	REAL300000320758	0	38	-2.0	-105.96	352.18	3.34	-102.62
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=N1	REAL300000320759	0	38	-2.0	-104.11	358.63	3.76	-100.35
COCCN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=N1	REAL300000320760	0	38	-2.0	-110.32	351.91	3.31	-107.01
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CCOC)N=C2)C=C1C(=O)[O-]	REAL300000320761	0	41	-2.0	-107.96	360.84	3.81	-104.15
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=N1	REAL300000320762	0	42	-2.0	-108.11	377.35	2.76	-105.35
COCCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=N1	REAL300000320763	0	38	-2.0	-95.59	353.13	3.80	-91.79
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000320764	0	38	-2.0	-90.87	356.99	3.43	-87.44
COCCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000320765	0	38	-2.0	-104.05	358.10	3.59	-100.46
CCN1C=C(S(=O)(=O)[N-]C2=CN(CCOC)N=C2)C=C1C(=O)[O-]	REAL300000320766	0	39	-2.0	-106.09	354.89	2.85	-103.24
COCCN1C=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=N1	REAL300000320767	0	47	-2.0	-105.78	392.02	5.50	-100.28
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000320768	0	35	-2.0	-94.34	352.48	3.19	-91.15
COCCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000320769	0	38	-2.0	-100.69	360.62	3.69	-97.00
COCCN1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300000320770	0	44	-2.0	-104.02	376.32	4.75	-99.27
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=N1	REAL300000320771	0	39	-2.0	-108.03	367.20	3.26	-104.77
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000320772	0	38	-2.0	-94.25	342.88	3.16	-91.09
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000320773	0	40	-2.0	-98.01	367.59	4.80	-93.21
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=N1	REAL300000320774	0	38	-2.0	-105.69	346.41	3.46	-102.23
COCCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000320775	0	37	-2.0	-112.48	350.61	4.48	-108.00
COCCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000320776	0	35	-2.0	-109.51	330.53	2.65	-106.86
COCCN1C=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000320777	0	38	-2.0	-98.89	351.81	3.31	-95.58
COCCN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000320778	0	41	-2.0	-114.11	367.91	4.75	-109.36
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000320779	0	34	-2.0	-103.88	323.85	0.70	-103.18
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=N1	REAL300000320780	0	39	-2.0	-98.34	355.07	2.43	-95.91
COCCN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000320781	0	32	-2.0	-94.54	327.02	1.60	-92.94
COCCN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000320782	0	42	-2.0	-99.70	370.86	4.45	-95.25
COCCN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000320783	0	42	-2.0	-103.20	372.31	4.51	-98.69
CCC1=C(S(=O)(=O)[N-]C2=CN(CCOC)N=C2)C=C(C(=O)[O-])O1	REAL300000320784	0	38	-2.0	-100.83	349.00	2.62	-98.21
NS(=O)(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000320789	1	33	-2.0	-109.93	327.15	0.18	-109.75
NS(=O)(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000320790	0	30	-2.0	-106.23	314.82	-0.84	-107.07
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(S(N)(=O)=O)=CC=C2F)=C1	REAL300000320793	0	33	-2.0	-103.49	330.74	-0.18	-103.67
NS(=O)(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000320794	1	30	-2.0	-107.54	313.33	-0.83	-108.37
CC1=C(S(=O)(=O)[N-]C2=CC(S(N)(=O)=O)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000320795	1	33	-2.0	-106.10	324.64	-0.72	-106.82
NS(=O)(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000320798	0	30	-2.0	-102.20	313.89	-0.74	-102.94
NS(=O)(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000320800	1	33	-2.0	-99.31	327.09	0.19	-99.12
NS(=O)(=O)C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000320801	0	34	-2.0	-117.20	334.06	-1.39	-118.59
NS(=O)(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000320807	1	33	-2.0	-118.04	325.31	0.14	-117.90
NS(=O)(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000320808	0	32	-2.0	-109.72	318.60	-1.79	-111.51
NS(=O)(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000320809	0	30	-2.0	-100.62	321.79	-0.90	-101.52
CCC1=C(S(=O)(=O)[N-]C2=CC(S(N)(=O)=O)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000320810	1	36	-2.0	-105.96	343.75	0.12	-105.84
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000320811	1	31	-2.0	-102.88	311.43	6.43	-96.45
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000320812	1	31	-2.0	-92.94	306.86	6.41	-86.53
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000320813	1	31	-2.0	-105.49	306.89	6.40	-99.09
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000320814	1	35	-2.0	-92.64	338.33	7.69	-84.95
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000320815	1	34	-2.0	-106.55	322.90	6.93	-99.62
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000320816	1	37	-2.0	-109.21	339.55	7.75	-101.46
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000320817	0	31	-2.0	-103.20	312.36	6.45	-96.75
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000320818	1	37	-2.0	-91.98	350.45	7.99	-83.99
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000320819	0	28	-2.0	-100.02	300.07	5.41	-94.61
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000320820	1	34	-2.0	-107.07	322.32	7.18	-99.89
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000320821	0	32	-2.0	-103.74	313.53	5.74	-98.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2C)=C1	REAL300000320822	0	31	-2.0	-95.92	315.99	6.07	-89.85
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000320824	0	28	-2.0	-101.34	298.54	5.43	-95.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Br)=CC=C1C	REAL300000320825	1	37	-2.0	-105.46	336.41	8.10	-97.36
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000320826	0	31	-2.0	-99.94	309.89	5.53	-94.41
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000320827	1	31	-2.0	-103.26	316.58	6.28	-96.98
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000320828	1	31	-2.0	-92.46	311.41	6.44	-86.02
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000320829	0	28	-2.0	-94.83	299.15	5.52	-89.31
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000320830	1	31	-2.0	-96.31	313.30	6.46	-89.85
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000320831	0	31	-2.0	-92.32	312.35	6.47	-85.85
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000320832	0	32	-2.0	-106.18	316.60	4.10	-102.08
CC1=CC=C(Br)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000320832	1	32	-2.0	-106.17	314.02	4.93	-101.24
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000320833	1	34	-2.0	-97.05	329.05	7.18	-89.87
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000320834	1	34	-2.0	-100.90	316.92	7.04	-93.86
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000320836	1	37	-2.0	-108.49	340.35	7.48	-101.01
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2C)C=C1C(=O)[O-]	REAL300000320838	1	37	-2.0	-107.35	341.21	7.59	-99.76
CCN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2C)C=C1C(=O)[O-]	REAL300000320839	0	35	-2.0	-105.05	334.83	6.60	-98.45
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000320840	1	34	-2.0	-93.15	322.89	6.94	-86.21
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000320841	0	31	-2.0	-108.70	310.52	6.42	-102.28
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000320842	0	30	-2.0	-103.42	303.86	4.46	-98.96
CC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000320843	0	28	-2.0	-93.76	306.99	5.38	-88.38
CCC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000320844	0	34	-2.0	-99.82	329.00	6.38	-93.44
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000320845	1	42	-2.0	-116.53	377.99	5.88	-110.65
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000320846	1	42	-2.0	-106.69	374.08	5.86	-100.83
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000320847	1	42	-2.0	-119.17	374.10	5.85	-113.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000320848	1	45	-2.0	-120.29	389.46	6.38	-113.91
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000320849	0	42	-2.0	-115.75	379.33	5.91	-109.84
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000320850	0	39	-2.0	-113.33	366.63	4.86	-108.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(=O)N(C)C)=C1	REAL300000320851	1	45	-2.0	-118.53	388.50	6.63	-111.90
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000320852	0	43	-2.0	-117.67	380.74	5.21	-112.46
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OCC(=O)N(C)C)=C2)=C1	REAL300000320853	0	42	-2.0	-109.72	383.21	5.54	-104.18
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000320854	0	39	-2.0	-114.77	364.72	4.88	-109.89
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC(=O)N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000320855	0	42	-2.0	-112.15	376.08	4.98	-107.17
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC(=O)N(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000320856	0	42	-2.0	-115.09	382.76	5.73	-109.36
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000320857	1	42	-2.0	-106.12	377.97	5.89	-100.23
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000320858	0	39	-2.0	-108.07	365.30	4.97	-103.10
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000320859	1	42	-2.0	-110.04	379.86	5.90	-104.14
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000320860	0	42	-2.0	-106.20	378.90	5.92	-100.28
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000320861	0	43	-2.0	-117.08	383.15	3.56	-113.52
CN(C)C(=O)COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000320861	1	43	-2.0	-116.54	381.88	4.43	-112.11
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000320862	1	45	-2.0	-109.22	395.64	6.62	-102.60
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC(=O)N(C)C)=C1	REAL300000320863	1	45	-2.0	-116.24	383.52	6.48	-109.76
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC(=O)N(C)C)=C1	REAL300000320864	1	45	-2.0	-106.46	388.48	6.62	-99.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCC(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000320865	0	46	-2.0	-118.92	401.58	6.06	-112.86
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(=O)N(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000320866	1	45	-2.0	-106.86	390.10	6.40	-100.46
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000320867	0	42	-2.0	-124.48	376.73	5.88	-118.60
CN(C)C(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000320868	0	41	-2.0	-114.96	370.84	3.89	-111.07
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC(=O)N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000320869	0	45	-2.0	-112.04	395.98	5.83	-106.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COCC3=CC=CO3)=C2)C=C1	REAL300000320884	1	42	-2.0	-101.17	383.24	6.86	-94.31
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3=CC=CO3)=C2)=C1	REAL300000320885	1	42	-2.0	-113.37	383.26	6.85	-106.52
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(COCC3=CC=CO3)=C2)=C1	REAL300000320886	0	39	-2.0	-107.62	376.44	5.86	-101.76
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(COCC3=CC=CO3)=C2)C=C1C(=O)[O-]	REAL300000320887	0	43	-2.0	-111.79	389.91	6.21	-105.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3=CC=CO3)=C2)=CS1	REAL300000320888	0	39	-2.0	-109.06	374.91	5.88	-103.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC(COCC3=CC=CO3)=C2)C=C(C(=O)[O-])O1	REAL300000320889	0	42	-2.0	-106.90	386.27	5.99	-100.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COCC3=CC=CO3)=C2)S1	REAL300000320890	0	39	-2.0	-103.15	375.53	5.98	-97.17
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(COCC3=CC=CO3)=C2)=C1	REAL300000320891	0	41	-2.0	-111.35	379.48	4.97	-106.38
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000320892	1	45	-2.0	-109.80	402.62	5.96	-103.84
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000320893	1	45	-2.0	-99.09	398.08	5.94	-93.15
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000320894	1	45	-2.0	-111.42	398.08	5.93	-105.49
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000320895	1	48	-2.0	-113.65	414.09	6.46	-107.19
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000320896	0	45	-2.0	-108.84	403.56	5.99	-102.85
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000320897	0	42	-2.0	-105.65	391.26	4.95	-100.70
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000320898	1	48	-2.0	-112.12	413.51	6.71	-105.41
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000320899	0	46	-2.0	-109.87	404.73	5.28	-104.59
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000320900	0	45	-2.0	-102.31	407.19	5.61	-96.70
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000320901	0	42	-2.0	-107.06	389.73	4.96	-102.10
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000320902	0	45	-2.0	-105.07	401.09	5.07	-100.00
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000320903	1	45	-2.0	-108.60	406.68	5.82	-102.78
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000320904	1	45	-2.0	-98.41	402.60	5.97	-92.44
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000320905	0	42	-2.0	-100.96	390.35	5.06	-95.90
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000320906	1	45	-2.0	-102.24	404.49	5.99	-96.25
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000320907	0	45	-2.0	-98.72	403.54	6.00	-92.72
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000320908	0	46	-2.0	-111.14	407.79	3.63	-107.51
CCOCCOCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000320908	1	46	-2.0	-107.58	406.88	4.52	-103.06
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000320909	1	48	-2.0	-102.75	420.27	6.71	-96.04
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000320910	1	48	-2.0	-108.46	408.14	6.56	-101.90
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000320912	0	49	-2.0	-111.11	426.10	6.15	-104.96
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000320913	1	48	-2.0	-99.24	414.09	6.48	-92.76
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000320914	0	45	-2.0	-116.71	401.74	5.97	-110.74
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000320915	0	44	-2.0	-109.27	394.30	4.07	-105.20
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000320916	0	48	-2.0	-104.92	420.21	5.92	-99.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=CC=C1F	REAL300000320917	0	42	-2.0	-111.13	365.01	7.28	-103.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1	REAL300000320918	0	42	-2.0	-101.02	360.46	7.26	-93.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C1	REAL300000320919	0	42	-2.0	-114.03	360.48	7.25	-106.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCCC1	REAL300000320920	0	46	-2.0	-119.61	387.65	7.05	-112.56
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1	REAL300000320921	0	46	-2.0	-99.91	391.93	8.55	-91.36
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1C(=O)[O-]	REAL300000320922	0	45	-2.0	-115.50	376.57	7.79	-107.71
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C1	REAL300000320923	0	42	-2.0	-108.88	373.54	7.83	-101.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=CC=C1Cl	REAL300000320924	0	42	-2.0	-109.68	372.98	7.64	-102.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C1C	REAL300000320925	0	48	-2.0	-115.99	393.57	8.58	-107.41
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C1	REAL300000320926	0	42	-2.0	-111.16	365.95	7.31	-103.85
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1	REAL300000320927	0	48	-2.0	-99.56	403.08	8.82	-90.74
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C1	REAL300000320928	0	39	-2.0	-108.19	353.65	6.26	-101.93
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCCC1	REAL300000320929	0	45	-2.0	-114.40	374.94	8.02	-106.38
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1	REAL300000320930	0	46	-2.0	-98.59	391.54	7.53	-91.06
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1C(=O)[O-]	REAL300000320931	0	43	-2.0	-112.84	366.15	6.60	-106.24
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCCC1	REAL300000320932	0	46	-2.0	-114.01	384.67	6.06	-107.95
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C1	REAL300000320933	0	42	-2.0	-104.86	368.64	6.93	-97.93
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1C(=O)[O-]	REAL300000320934	0	48	-2.0	-115.78	391.03	8.57	-107.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=CS1	REAL300000320935	0	39	-2.0	-109.57	352.13	6.28	-103.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1C(=O)[O-]	REAL300000320936	0	46	-2.0	-119.95	387.76	7.32	-112.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCCC1	REAL300000320937	0	48	-2.0	-111.87	389.64	8.98	-102.89
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C(C(=O)[O-])O1	REAL300000320938	0	42	-2.0	-106.96	363.48	6.39	-100.57
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C1	REAL300000320939	0	46	-2.0	-115.26	389.44	6.34	-108.92
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCCC1	REAL300000320940	0	45	-2.0	-104.49	381.19	8.06	-96.43
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C(C(=O)[O-])S1	REAL300000320941	0	42	-2.0	-110.32	369.10	7.14	-103.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C(Cl)=C1	REAL300000320942	0	42	-2.0	-98.34	373.52	7.82	-90.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1F	REAL300000320943	0	42	-2.0	-100.35	364.99	7.29	-93.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)S1	REAL300000320944	0	39	-2.0	-102.97	352.73	6.38	-96.59
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C1	REAL300000320945	0	42	-2.0	-105.40	365.91	7.32	-98.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C1F	REAL300000320946	0	45	-2.0	-112.81	386.22	7.95	-104.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C(F)=C1	REAL300000320947	0	42	-2.0	-100.80	365.93	7.32	-93.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1Cl	REAL300000320948	0	42	-2.0	-98.49	372.96	7.65	-90.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=CC(F)=C1F	REAL300000320949	0	42	-2.0	-102.43	371.30	7.34	-95.09
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C1	REAL300000320950	0	43	-2.0	-112.52	370.19	4.95	-107.57
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1	REAL300000320951	0	45	-2.0	-104.71	381.68	8.02	-96.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCCC1	REAL300000320952	0	45	-2.0	-110.89	370.64	7.89	-103.00
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=CC(C(=O)[O-])=C1F	REAL300000320953	0	45	-2.0	-113.47	384.34	7.90	-105.57
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCCC1	REAL300000320954	0	45	-2.0	-100.69	375.89	8.02	-92.67
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=CC(C(=O)[O-])=C1C	REAL300000320955	0	48	-2.0	-117.69	393.49	8.32	-109.37
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C1	REAL300000320956	0	42	-2.0	-102.82	372.21	7.38	-95.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C(C)=C1C(=O)[O-]	REAL300000320957	0	48	-2.0	-115.53	393.91	8.63	-106.90
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1C(=O)[O-]	REAL300000320958	0	45	-2.0	-112.52	382.01	7.86	-104.66
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C1	REAL300000320959	0	45	-2.0	-120.41	385.51	7.94	-112.47
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1C(=O)[O-]	REAL300000320960	0	48	-2.0	-116.05	394.40	8.44	-107.61
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1C(=O)[O-]	REAL300000320961	0	46	-2.0	-113.68	388.50	7.46	-106.22
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=CC=C1C(=O)[O-]	REAL300000320962	0	45	-2.0	-103.06	379.42	7.92	-95.14
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCCC1	REAL300000320963	0	45	-2.0	-110.95	380.42	8.07	-102.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C1F	REAL300000320964	0	42	-2.0	-119.89	363.14	7.27	-112.62
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C1C(=O)[O-]	REAL300000320965	0	45	-2.0	-105.76	381.71	7.83	-97.93
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C1	REAL300000320966	0	41	-2.0	-112.38	356.68	5.36	-107.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCCC1	REAL300000320967	0	46	-2.0	-105.33	388.67	7.05	-98.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)=C(Cl)O1	REAL300000320968	0	39	-2.0	-101.60	359.61	6.22	-95.38
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCCC2)C=C(C(=O)[O-])O1	REAL300000320969	0	45	-2.0	-106.77	381.63	7.23	-99.54
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000320972	1	35	-2.0	-106.11	333.07	5.77	-100.34
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1Cl	REAL300000320973	0	39	-2.0	-112.14	361.22	5.58	-106.56
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1Cl	REAL300000320974	1	39	-2.0	-93.52	364.53	7.08	-86.44
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1Cl	REAL300000320976	0	35	-2.0	-102.39	346.14	6.35	-96.04
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000320977	1	35	-2.0	-101.95	345.58	6.18	-95.77
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000320979	0	35	-2.0	-103.76	338.55	5.85	-97.91
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300000320980	1	41	-2.0	-92.72	376.65	7.36	-85.36
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000320981	0	32	-2.0	-100.44	326.26	4.80	-95.64
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000320984	1	36	-2.0	-104.37	339.72	5.14	-99.23
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1Cl	REAL300000320986	0	35	-2.0	-93.62	342.19	5.46	-88.16
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000320988	1	32	-2.0	-101.78	324.72	4.81	-96.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1Cl	REAL300000320990	1	44	-2.0	-110.10	386.97	7.78	-102.32
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1Cl	REAL300000320992	0	42	-2.0	-108.65	383.50	6.34	-102.31
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000320993	0	38	-2.0	-107.29	368.20	6.20	-101.09
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000320993	1	37	-3.0	-180.26	361.48	6.35	-173.91
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1Cl	REAL300000320994	1	42	-2.0	-107.65	377.34	7.69	-99.96
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000320995	0	35	-2.0	-100.68	336.08	4.92	-95.76
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000320996	0	39	-2.0	-104.27	362.06	4.87	-99.40
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1Cl	REAL300000320998	1	38	-2.0	-94.56	353.78	6.60	-87.96
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300000321000	1	35	-2.0	-104.28	341.67	5.67	-98.61
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1Cl	REAL300000321001	0	35	-2.0	-91.37	346.12	6.34	-85.03
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000321002	1	35	-2.0	-93.32	337.60	5.82	-87.50
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000321003	0	32	-2.0	-95.37	325.34	4.91	-90.46
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000321004	1	35	-2.0	-97.03	339.48	5.85	-91.18
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1Cl	REAL300000321005	0	38	-2.0	-101.26	358.84	6.49	-94.77
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000321006	0	35	-2.0	-92.99	338.53	5.85	-87.14
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000321007	1	35	-2.0	-91.36	345.57	6.18	-85.18
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000321008	1	35	-2.0	-95.20	343.89	5.88	-89.32
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000321009	0	36	-2.0	-106.99	342.79	3.49	-103.50
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000321009	1	36	-2.0	-106.26	341.96	4.28	-101.98
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000321010	1	38	-2.0	-97.41	355.25	6.56	-90.85
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1Cl	REAL300000321015	0	35	-2.0	-95.26	344.83	5.91	-89.35
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1Cl	REAL300000321017	0	38	-2.0	-104.79	354.55	6.38	-98.41
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000321018	0	38	-2.0	-107.90	358.11	6.47	-101.43
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1Cl	REAL300000321021	1	39	-2.0	-105.73	361.10	6.00	-99.73
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000321024	0	35	-2.0	-109.39	336.69	5.81	-103.58
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000321025	1	38	-2.0	-98.66	358.01	6.46	-92.20
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000321026	0	34	-2.0	-99.80	330.06	3.84	-95.96
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1Cl	REAL300000321027	0	39	-2.0	-95.07	361.27	5.58	-89.49
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000321028	0	32	-2.0	-94.28	333.23	4.76	-89.52
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1Cl	REAL300000321029	1	42	-2.0	-99.26	377.05	7.60	-91.66
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1Cl	REAL300000321030	1	42	-2.0	-102.85	378.51	7.67	-95.18
CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000321031	0	38	-2.0	-100.73	355.21	5.77	-94.96
CC(C)C1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1	REAL300000321032	0	43	-2.0	-103.06	380.87	7.24	-95.82
CC(C)C1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1	REAL300000321033	0	43	-2.0	-116.40	380.88	7.23	-109.17
CC(C)C1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1	REAL300000321034	0	40	-2.0	-110.55	374.07	6.24	-104.31
CC(C)C1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1	REAL300000321035	0	44	-2.0	-114.39	387.53	6.58	-107.81
CC(C)C1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1	REAL300000321036	0	40	-2.0	-111.87	372.53	6.26	-105.61
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(C(C)C)=N2)C=C(C(=O)[O-])O1	REAL300000321037	0	43	-2.0	-109.01	383.89	6.36	-102.65
CC(C)C1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1	REAL300000321038	0	40	-2.0	-105.02	373.14	6.36	-98.66
CC(C)C1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1	REAL300000321039	0	42	-2.0	-114.56	377.09	5.36	-109.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1	REAL300000321042	1	38	-2.0	-112.14	349.45	6.67	-105.47
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CN2C=CC=N2)C=C1	REAL300000321043	0	42	-2.0	-117.53	377.59	6.47	-111.06
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)C=C1	REAL300000321044	1	42	-2.0	-99.60	380.90	7.96	-91.64
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1	REAL300000321046	0	38	-2.0	-107.49	362.52	7.24	-100.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=CC=C1Cl	REAL300000321047	1	38	-2.0	-107.84	361.96	7.06	-100.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1C	REAL300000321048	1	44	-2.0	-114.48	381.84	7.98	-106.50
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1	REAL300000321049	0	38	-2.0	-109.43	354.93	6.73	-102.70
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)C=C1	REAL300000321050	1	44	-2.0	-98.71	393.01	8.26	-90.45
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1	REAL300000321051	0	35	-2.0	-106.44	342.63	5.68	-100.76
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CN2C=CC=N2)C=C1	REAL300000321052	1	41	-2.0	-112.67	364.88	7.45	-105.22
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000321054	1	39	-2.0	-110.56	356.10	6.00	-104.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1	REAL300000321056	0	38	-2.0	-103.16	358.58	6.35	-96.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=CS1	REAL300000321058	0	35	-2.0	-108.83	341.10	5.70	-103.13
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CN2C=CC=N2)C=C1	REAL300000321060	1	47	-2.0	-114.94	403.35	8.67	-106.27
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CN2C=CC=N2)C=C1	REAL300000321061	1	44	-2.0	-110.92	379.59	8.38	-102.54
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1	REAL300000321062	1	45	-2.0	-116.91	393.69	8.56	-108.35
CC1=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000321063	0	38	-2.0	-105.74	352.46	5.80	-99.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1	REAL300000321064	0	42	-2.0	-114.39	378.41	5.76	-108.63
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CN2C=CC=N2)C=C1	REAL300000321065	1	41	-2.0	-103.26	370.17	7.48	-95.78
CC1=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000321066	1	38	-2.0	-109.09	358.05	6.56	-102.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)C(Cl)=C1	REAL300000321067	0	38	-2.0	-97.61	362.50	7.23	-90.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)C=C1F	REAL300000321068	1	38	-2.0	-99.29	353.96	6.71	-92.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)S1	REAL300000321069	0	35	-2.0	-101.87	341.72	5.80	-96.07
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1	REAL300000321070	1	38	-2.0	-102.95	355.85	6.73	-96.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1F	REAL300000321071	0	41	-2.0	-110.85	375.21	7.37	-103.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)C(F)=C1	REAL300000321072	0	38	-2.0	-99.66	354.91	6.74	-92.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)C=C1Cl	REAL300000321073	1	38	-2.0	-97.49	361.94	7.07	-90.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=CC(F)=C1F	REAL300000321074	1	38	-2.0	-101.94	360.27	6.76	-95.18
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1	REAL300000321075	0	39	-2.0	-111.64	359.16	4.38	-107.26
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(CN3C=CC=N3)C=C2)=C1	REAL300000321075	1	39	-2.0	-107.60	358.36	5.17	-102.43
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)C=C1	REAL300000321076	1	41	-2.0	-103.34	371.62	7.45	-95.89
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CN2C=CC=N2)C=C1	REAL300000321077	1	41	-2.0	-110.60	363.27	7.41	-103.19
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1	REAL300000321081	0	38	-2.0	-101.12	361.21	6.79	-94.33
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000321083	0	41	-2.0	-110.55	370.93	7.26	-103.29
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1	REAL300000321084	0	41	-2.0	-118.65	374.49	7.36	-111.29
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000321086	1	42	-2.0	-111.84	377.47	6.88	-104.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1F	REAL300000321089	0	38	-2.0	-117.91	353.07	6.69	-111.22
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000321090	1	41	-2.0	-105.72	374.41	7.32	-98.40
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C1	REAL300000321091	0	37	-2.0	-110.76	345.66	4.78	-105.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CN2C=CC=N2)C=C1	REAL300000321092	0	42	-2.0	-104.28	377.65	6.46	-97.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)=C(Cl)O1	REAL300000321093	0	35	-2.0	-99.85	349.60	5.64	-94.21
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(CN4C=CC=N4)C=C3)C=C2)CC1	REAL300000321094	1	45	-2.0	-109.55	395.58	8.55	-101.00
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(CN4C=CC=N4)C=C3)C=C2C1	REAL300000321095	1	45	-2.0	-109.07	394.89	8.56	-100.51
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CN3C=CC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000321096	0	41	-2.0	-105.51	371.57	6.65	-98.86
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1	REAL300000321097	1	39	-2.0	-90.04	358.13	2.03	-88.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CC=C1F	REAL300000321098	1	32	-2.0	-106.31	306.20	3.48	-102.83
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NC=CN=C2C=C1	REAL300000321099	0	40	-2.0	-106.77	361.28	4.55	-102.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1	REAL300000321100	1	32	-2.0	-96.52	301.65	3.45	-93.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321101	1	32	-2.0	-108.79	301.66	3.45	-105.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NC=CN=C2C=C1	REAL300000321102	0	36	-2.0	-113.50	329.80	3.25	-110.25
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1	REAL300000321103	1	36	-2.0	-96.01	333.12	4.75	-91.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000321104	1	35	-2.0	-111.23	321.73	4.09	-107.14
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321105	0	32	-2.0	-103.93	314.73	4.02	-99.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CC=C1Cl	REAL300000321106	1	32	-2.0	-104.61	314.18	3.84	-100.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C(Cl)C=C1Cl	REAL300000321107	0	32	-2.0	-99.60	327.23	4.40	-95.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1C	REAL300000321108	1	38	-2.0	-111.16	334.34	4.80	-106.36
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321109	0	32	-2.0	-105.59	307.14	3.52	-102.07
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1	REAL300000321110	1	38	-2.0	-95.39	345.24	5.04	-90.35
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321111	0	29	-2.0	-102.95	294.85	2.48	-100.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NC=CN=C2C=C1	REAL300000321112	1	35	-2.0	-109.05	317.09	4.24	-104.81
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1	REAL300000321113	1	36	-2.0	-94.67	332.74	3.73	-90.94
CN1C=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000321114	0	33	-2.0	-107.11	308.31	2.80	-104.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321116	0	32	-2.0	-99.35	310.78	3.13	-96.22
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000321117	1	38	-2.0	-110.48	332.73	4.79	-105.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CS1	REAL300000321118	0	29	-2.0	-104.45	293.31	2.50	-101.95
COC1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CC(C(=O)[O-])=C1OC	REAL300000321119	1	40	-2.0	-108.93	359.97	3.26	-105.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000321120	1	36	-2.0	-114.55	328.94	3.51	-111.04
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321121	1	42	-2.0	-112.73	356.91	6.08	-106.65
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NC=CN=C2C=C1	REAL300000321122	1	41	-2.0	-111.07	355.57	5.46	-105.61
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NC=CN=C2C=C1	REAL300000321123	1	38	-2.0	-107.25	331.81	5.17	-102.08
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NC=CN=C2C=C1	REAL300000321124	0	39	-2.0	-114.56	352.09	4.01	-110.55
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC3=NC=CN=C3C=C2)=C1	REAL300000321125	0	35	-2.0	-115.11	336.78	3.89	-111.22
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321125	1	34	-3.0	-184.47	330.06	4.01	-180.46
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321126	1	39	-2.0	-113.07	345.91	5.35	-107.72
CC1=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C(C(=O)[O-])O1	REAL300000321127	0	32	-2.0	-102.38	304.67	2.59	-99.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CC2=C1OCCO2	REAL300000321128	1	38	-2.0	-113.40	343.84	3.22	-110.18
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321129	0	36	-2.0	-110.03	330.65	2.54	-107.49
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC4=NC=CN=C4C=C3)C=C2C1	REAL300000321130	1	40	-2.0	-95.11	354.60	4.05	-91.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CC(Cl)=C1Cl	REAL300000321131	1	32	-2.0	-98.38	329.34	4.30	-94.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C(Cl)C=C1F	REAL300000321132	0	32	-2.0	-100.71	319.25	4.05	-96.66
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1Cl	REAL300000321133	1	36	-2.0	-93.24	348.76	4.27	-88.97
CC1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CC=C1OCC(=O)[O-]	REAL300000321134	1	39	-2.0	-95.17	352.82	4.44	-90.73
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NC=CN=C2C=C1	REAL300000321135	1	35	-2.0	-99.79	322.37	4.27	-95.52
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1F	REAL300000321136	1	36	-2.0	-94.28	338.95	3.79	-90.49
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000321137	1	39	-2.0	-115.12	350.79	4.42	-110.70
CC1=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C(C(=O)[O-])S1	REAL300000321138	0	32	-2.0	-105.58	310.26	3.36	-102.22
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321139	0	32	-2.0	-97.75	329.88	4.47	-93.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C(Cl)=C1	REAL300000321140	0	32	-2.0	-94.15	314.71	4.01	-90.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1F	REAL300000321141	1	32	-2.0	-96.11	306.18	3.49	-92.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)S1	REAL300000321142	0	29	-2.0	-98.02	293.93	2.58	-95.44
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321143	1	32	-2.0	-99.69	308.06	3.51	-96.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1F	REAL300000321144	0	35	-2.0	-106.96	327.42	4.15	-102.81
COC1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000321145	0	36	-2.0	-98.89	341.97	4.08	-94.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C(F)=C1	REAL300000321146	0	32	-2.0	-96.00	307.12	3.52	-92.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1Cl	REAL300000321147	1	32	-2.0	-94.14	314.16	3.85	-90.29
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NC=CN=C2C=C1	REAL300000321148	1	35	-2.0	-101.38	331.10	4.66	-96.72
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1	REAL300000321149	1	40	-2.0	-92.71	365.40	4.86	-87.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CC(F)=C1F	REAL300000321150	1	32	-2.0	-97.97	312.48	3.54	-94.43
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321151	0	34	-2.0	-93.94	329.85	4.12	-89.82
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321152	0	33	-2.0	-107.78	311.37	1.17	-106.61
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=NC=CN=C3C=C2)=C1	REAL300000321152	1	33	-2.0	-106.73	300.40	2.04	-104.69
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1	REAL300000321153	1	35	-2.0	-99.50	323.85	4.23	-95.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CC(Cl)=C1F	REAL300000321154	1	32	-2.0	-99.34	322.37	3.98	-95.36
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=NC=CN=C2C=C1	REAL300000321155	1	35	-2.0	-105.46	311.73	4.08	-101.38
CC1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CC(C(=O)[O-])=C1F	REAL300000321156	1	35	-2.0	-107.60	326.51	4.10	-103.50
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=NC=CN=C2C=C1	REAL300000321157	1	35	-2.0	-96.58	317.07	4.23	-92.35
CC1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CC(C(=O)[O-])=C1C	REAL300000321158	1	38	-2.0	-111.69	334.55	4.52	-107.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CC=C1[N+](=O)[O-]	REAL300000321159	0	34	-2.0	-107.37	328.22	4.53	-102.84
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321160	0	32	-2.0	-97.48	313.41	3.57	-93.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C(C)=C1C(=O)[O-]	REAL300000321161	1	38	-2.0	-109.65	336.14	4.85	-104.80
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000321162	0	35	-2.0	-107.85	326.98	4.15	-103.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1Cl	REAL300000321163	0	35	-2.0	-105.65	333.42	4.58	-101.07
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321164	0	35	-2.0	-114.20	326.70	4.14	-110.06
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000321165	1	38	-2.0	-110.51	335.90	4.63	-105.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1CC(=O)[O-]	REAL300000321166	1	39	-2.0	-109.84	352.12	3.58	-106.26
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=NC=CN=C2C=C1	REAL300000321167	1	35	-2.0	-98.64	327.92	4.64	-94.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1C(F)(F)F	REAL300000321168	1	35	-2.0	-93.16	331.77	4.26	-88.90
CC1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000321169	1	35	-2.0	-106.33	332.90	4.41	-101.92
CCN1C=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000321170	0	36	-2.0	-108.35	329.68	3.67	-104.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C(F)C(Cl)=C1F	REAL300000321172	0	32	-2.0	-96.14	327.26	4.01	-92.13
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000321173	1	35	-2.0	-103.26	335.40	4.52	-98.74
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C(C(=O)[O-])S1	REAL300000321174	0	41	-2.0	-105.23	351.10	5.59	-99.64
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000321175	0	36	-2.0	-109.40	341.98	4.09	-105.31
CC1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CC=C1C(=O)[O-]	REAL300000321176	1	35	-2.0	-96.61	317.66	3.99	-92.62
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C([N+](=O)[O-])=C1	REAL300000321177	0	37	-2.0	-102.11	344.92	5.64	-96.47
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NC=CN=C2C=C1	REAL300000321178	1	35	-2.0	-106.77	321.20	4.29	-102.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1[N+](=O)[O-]	REAL300000321179	0	34	-2.0	-116.94	325.38	5.31	-111.63
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1F	REAL300000321180	0	32	-2.0	-113.47	305.32	3.48	-109.99
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000321181	1	35	-2.0	-101.49	326.60	4.12	-97.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=CC2=CC=CC=C21	REAL300000321182	1	38	-2.0	-116.83	342.70	5.58	-111.25
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C1	REAL300000321183	0	31	-2.0	-106.39	297.89	1.58	-104.81
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=NC=CN=C2C=C1	REAL300000321184	0	36	-2.0	-100.55	329.86	3.25	-97.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)=C(Cl)O1	REAL300000321185	0	29	-2.0	-96.33	301.81	2.43	-93.90
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC4=NC=CN=C4C=C3)C=C2)CC1	REAL300000321186	1	39	-2.0	-102.71	347.78	5.33	-97.38
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC4=NC=CN=C4C=C3)C=C2C1	REAL300000321187	1	39	-2.0	-106.99	347.10	5.34	-101.65
CCC1=C(S(=O)(=O)[N-]C2=CC3=NC=CN=C3C=C2)C=C(C(=O)[O-])O1	REAL300000321188	0	35	-2.0	-102.06	323.79	3.44	-98.62
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000321189	1	42	-2.0	-109.62	380.77	5.00	-104.62
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000321190	1	42	-2.0	-98.98	376.22	4.97	-94.01
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000321191	1	42	-2.0	-111.37	376.22	4.96	-106.41
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000321192	0	46	-2.0	-117.00	404.37	4.76	-112.24
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000321193	1	46	-2.0	-98.67	407.69	6.26	-92.41
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000321194	1	45	-2.0	-113.51	392.24	5.50	-108.01
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000321195	0	42	-2.0	-106.93	389.29	5.54	-101.39
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000321196	1	42	-2.0	-108.06	388.74	5.36	-102.70
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000321197	1	48	-2.0	-114.28	408.90	6.31	-107.97
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000321198	0	42	-2.0	-108.78	381.70	5.03	-103.75
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000321199	1	48	-2.0	-97.98	419.81	6.55	-91.43
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000321200	0	39	-2.0	-105.61	369.41	3.98	-101.63
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000321201	1	45	-2.0	-112.08	391.65	5.75	-106.33
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000321203	0	43	-2.0	-109.77	382.87	4.31	-105.46
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000321205	0	42	-2.0	-102.17	385.33	4.64	-97.53
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000321207	0	39	-2.0	-107.03	367.87	4.00	-103.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COCCOC)=C1	REAL300000321209	1	48	-2.0	-110.38	406.39	6.69	-103.69
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000321210	0	42	-2.0	-105.00	379.23	4.10	-100.90
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000321211	0	46	-2.0	-113.31	405.21	4.05	-109.26
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000321212	1	45	-2.0	-102.56	396.93	5.78	-96.78
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000321213	1	42	-2.0	-108.54	384.82	4.86	-103.68
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000321214	0	42	-2.0	-96.51	389.27	5.53	-90.98
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000321215	1	42	-2.0	-98.38	380.75	5.01	-93.37
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000321216	0	39	-2.0	-100.92	368.49	4.10	-96.82
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000321217	1	42	-2.0	-102.15	382.63	5.02	-97.13
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000321218	0	45	-2.0	-110.27	401.98	5.66	-104.61
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000321219	0	42	-2.0	-98.62	381.69	5.04	-93.58
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000321220	1	42	-2.0	-96.51	388.72	5.37	-91.14
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000321221	0	43	-2.0	-111.06	385.94	2.67	-108.39
COCCOCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000321221	1	43	-2.0	-107.43	385.03	3.55	-103.88
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000321222	1	45	-2.0	-102.70	398.41	5.74	-96.96
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000321223	1	45	-2.0	-108.32	386.29	5.59	-102.73
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000321224	1	45	-2.0	-109.99	401.07	5.62	-104.37
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000321226	1	48	-2.0	-115.50	409.11	6.04	-109.46
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000321228	0	45	-2.0	-111.04	401.54	5.65	-105.39
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000321229	0	45	-2.0	-117.39	401.26	5.66	-111.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COCCOC)=C2)C=C1C(=O)[O-]	REAL300000321230	1	48	-2.0	-114.35	410.51	6.14	-108.21
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(COCCOC)=C2)C=C1C(=O)[O-]	REAL300000321231	0	46	-2.0	-111.05	404.25	5.19	-105.86
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000321232	1	45	-2.0	-99.18	392.23	5.51	-93.67
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000321234	0	42	-2.0	-116.63	379.88	5.00	-111.63
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000321235	1	45	-2.0	-104.63	401.16	5.64	-98.99
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000321236	0	41	-2.0	-109.21	372.44	3.10	-106.11
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000321237	0	46	-2.0	-103.38	404.42	4.77	-98.61
COCCOCC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000321238	0	39	-2.0	-98.96	376.37	3.96	-95.00
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(COCCOC)=C2)C=C(C(=O)[O-])O1	REAL300000321239	0	45	-2.0	-104.70	398.35	4.95	-99.75
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000321240	0	39	-2.0	-91.75	360.59	0.73	-91.02
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000321241	0	32	-2.0	-108.71	308.65	2.18	-106.53
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(N)=O	REAL300000321242	0	40	-2.0	-108.08	363.74	3.23	-104.85
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000321243	0	32	-2.0	-99.07	304.11	2.15	-96.92
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000321244	0	32	-2.0	-111.27	304.12	2.14	-109.13
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(N)=O	REAL300000321245	0	36	-2.0	-115.39	332.26	1.94	-113.45
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000321246	0	36	-2.0	-97.83	335.58	3.44	-94.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000321247	0	35	-2.0	-112.59	320.14	2.68	-109.91
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000321248	0	32	-2.0	-105.64	317.19	2.72	-102.92
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000321249	0	32	-2.0	-107.21	316.63	2.54	-104.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)=C1C	REAL300000321250	0	38	-2.0	-112.63	337.23	3.48	-109.15
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000321251	0	32	-2.0	-107.71	309.60	2.21	-105.50
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000321252	0	38	-2.0	-96.97	347.70	3.73	-93.24
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000321253	0	29	-2.0	-106.07	297.31	1.16	-104.91
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(N)=O	REAL300000321254	0	35	-2.0	-110.65	319.55	2.94	-107.71
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000321255	0	36	-2.0	-96.62	335.20	2.43	-94.19
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000321256	0	33	-2.0	-109.85	310.76	1.50	-108.35
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(N)=O	REAL300000321257	0	36	-2.0	-111.20	327.90	0.98	-110.22
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)=C1	REAL300000321258	0	32	-2.0	-102.10	313.25	1.83	-100.27
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000321259	0	38	-2.0	-113.33	339.57	3.58	-109.75
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000321260	0	29	-2.0	-107.28	295.77	1.19	-106.09
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)=CC(C(=O)[O-])=C1OC	REAL300000321261	0	40	-2.0	-112.26	362.44	1.95	-110.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000321262	0	36	-2.0	-117.27	331.41	2.21	-115.06
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000321263	0	42	-2.0	-114.83	359.35	4.77	-110.06
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(N)=O	REAL300000321264	0	41	-2.0	-112.24	357.22	4.15	-108.09
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(N)=O	REAL300000321265	0	38	-2.0	-107.50	329.73	3.80	-103.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(N)=O	REAL300000321266	0	39	-2.0	-116.80	354.55	2.71	-114.09
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000321267	0	34	-3.0	-188.67	332.52	2.71	-185.96
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000321268	0	39	-2.0	-115.15	348.36	4.04	-111.11
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000321269	0	32	-2.0	-104.59	307.13	1.29	-103.30
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000321270	0	38	-2.0	-116.49	346.29	1.92	-114.57
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)=C1	REAL300000321271	0	36	-2.0	-112.42	333.09	1.23	-111.19
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000321272	0	40	-2.0	-97.18	357.04	2.75	-94.43
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000321273	0	32	-2.0	-102.41	321.72	2.73	-99.68
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)=CC=C1OCC(=O)[O-]	REAL300000321274	0	39	-2.0	-97.17	355.28	3.14	-94.03
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(N)=O	REAL300000321275	0	35	-2.0	-101.78	324.83	2.96	-98.82
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000321276	0	36	-2.0	-96.14	341.42	2.49	-93.65
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000321277	0	39	-2.0	-117.96	353.27	3.12	-114.84
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C=C(C(=O)[O-])S1	REAL300000321278	0	32	-2.0	-107.33	312.75	2.04	-105.29
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000321279	0	32	-2.0	-96.31	317.17	2.71	-93.60
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000321280	0	32	-2.0	-98.63	308.66	2.19	-96.44
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000321281	0	29	-2.0	-101.00	296.38	1.28	-99.72
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000321282	0	32	-2.0	-102.31	310.54	2.21	-100.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)=C1F	REAL300000321283	0	35	-2.0	-109.37	329.86	2.84	-106.53
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000321284	0	32	-2.0	-98.62	309.58	2.22	-96.40
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000321285	0	32	-2.0	-96.60	316.63	2.55	-94.05
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(N)=O	REAL300000321286	0	35	-2.0	-103.38	333.56	3.36	-100.02
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000321287	0	40	-2.0	-94.43	367.87	3.56	-90.87
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000321288	0	32	-2.0	-100.49	314.94	2.24	-98.25
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000321289	0	34	-2.0	-96.56	332.31	2.82	-93.74
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000321290	0	33	-2.0	-108.85	313.84	-0.15	-109.00
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000321291	0	35	-2.0	-101.73	326.30	2.92	-98.81
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000321292	0	32	-2.0	-101.88	324.83	2.68	-99.20
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(N)=O	REAL300000321293	0	35	-2.0	-108.30	314.16	2.79	-105.51
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)=CC(C(=O)[O-])=C1F	REAL300000321294	0	35	-2.0	-110.32	328.95	2.80	-107.52
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(N)=O	REAL300000321295	0	35	-2.0	-98.77	319.53	2.93	-95.84
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)=CC(C(=O)[O-])=C1C	REAL300000321296	0	38	-2.0	-114.61	337.00	3.21	-111.40
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000321297	0	34	-2.0	-109.71	330.70	3.24	-106.47
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000321298	0	32	-2.0	-99.88	315.86	2.27	-97.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C(C)=C1C(=O)[O-]	REAL300000321299	0	38	-2.0	-112.95	337.65	3.55	-109.40
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000321300	0	35	-2.0	-110.14	329.43	2.84	-107.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)=C1Cl	REAL300000321301	0	35	-2.0	-107.61	335.90	3.28	-104.33
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)=C1	REAL300000321302	0	35	-2.0	-117.42	329.17	2.84	-114.58
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000321303	0	38	-2.0	-113.30	338.09	3.33	-109.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C=C1CC(=O)[O-]	REAL300000321304	0	39	-2.0	-114.83	354.59	2.28	-112.55
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(N)=O	REAL300000321305	0	35	-2.0	-101.51	330.38	3.32	-98.19
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)=CC(C(=O)[O-])=C1Cl	REAL300000321306	0	35	-2.0	-109.11	335.34	3.10	-106.01
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000321307	0	36	-2.0	-111.17	332.15	2.37	-108.80
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C(C)=C1CC(=O)[O-]	REAL300000321308	0	44	-2.0	-112.74	369.27	5.01	-107.73
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000321309	0	35	-2.0	-104.85	333.98	3.11	-101.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)=CC=C1C(=O)[O-]	REAL300000321310	0	35	-2.0	-100.83	324.19	2.79	-98.04
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000321311	0	37	-2.0	-102.31	347.37	4.35	-97.96
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(N)=O	REAL300000321312	0	35	-2.0	-108.00	324.07	2.96	-105.04
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000321313	0	34	-2.0	-118.62	327.86	4.00	-114.62
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000321314	0	32	-2.0	-116.48	307.76	2.17	-114.31
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000321315	0	35	-2.0	-103.23	325.28	2.72	-100.51
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000321316	0	38	-2.0	-120.04	345.15	4.27	-115.77
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000321317	0	31	-2.0	-109.34	300.33	0.27	-109.07
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(N)=O	REAL300000321318	0	36	-2.0	-102.89	332.33	1.94	-100.95
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000321319	0	29	-2.0	-99.18	304.22	1.13	-98.05
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000321320	0	39	-2.0	-104.88	350.25	4.03	-100.85
NC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000321321	0	39	-2.0	-109.42	348.21	4.01	-105.41
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000321322	0	35	-2.0	-103.30	322.39	2.12	-101.18
CC(C)(C)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000321323	1	44	-2.0	-111.65	381.97	5.48	-106.17
CC(C)(C)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000321324	1	44	-2.0	-101.71	377.42	5.46	-96.25
CC(C)(C)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000321325	1	44	-2.0	-114.23	377.43	5.44	-108.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000321326	1	47	-2.0	-115.42	393.44	5.97	-109.45
CC(C)(C)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000321327	0	44	-2.0	-110.67	382.90	5.51	-105.16
CC(C)(C)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000321328	0	41	-2.0	-108.52	370.61	4.46	-104.06
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NC(C)(C)C)=C1	REAL300000321329	1	47	-2.0	-113.80	392.85	6.23	-107.57
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000321330	0	45	-2.0	-112.72	384.07	4.79	-107.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)(C)C)=C2)=C1	REAL300000321331	0	44	-2.0	-104.70	386.53	5.12	-99.58
CC(C)(C)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000321332	0	41	-2.0	-109.92	369.07	4.47	-105.45
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000321333	0	44	-2.0	-107.22	380.46	4.58	-102.64
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000321334	0	44	-2.0	-110.26	387.12	5.33	-104.93
CC(C)(C)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000321335	1	44	-2.0	-101.16	381.95	5.49	-95.67
CC(C)(C)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000321336	0	41	-2.0	-103.45	369.70	4.56	-98.89
CC(C)(C)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000321337	1	44	-2.0	-105.06	383.84	5.51	-99.55
CC(C)(C)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000321338	0	44	-2.0	-101.33	382.89	5.51	-95.82
CC(C)(C)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000321339	0	45	-2.0	-112.25	387.12	3.17	-109.08
CC(C)(C)NC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000321339	1	45	-2.0	-112.08	386.24	4.03	-108.05
CC(C)(C)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000321340	1	47	-2.0	-104.29	399.61	6.22	-98.07
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NC(C)(C)C)=C1	REAL300000321341	1	47	-2.0	-111.45	387.49	6.08	-105.37
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NC(C)(C)C)=C1	REAL300000321342	1	47	-2.0	-101.60	392.83	6.21	-95.39
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000321343	0	48	-2.0	-114.04	405.56	5.65	-108.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000321344	1	47	-2.0	-101.90	393.43	5.98	-95.92
CC(C)(C)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000321345	0	44	-2.0	-119.79	381.08	5.47	-114.32
CC(C)(C)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000321346	0	43	-2.0	-109.96	374.41	3.50	-106.46
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000321347	0	47	-2.0	-106.78	399.56	5.42	-101.36
O=C([O-])C1=CC(S(=O)(=O)N2CCCC3=CC=CC(O)=C32)=CC(C(=O)[O-])=C1	REAL300000321373	0	39	-2.0	-116.71	335.19	6.96	-109.75
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=CC=CC(O)=C32)=C1	REAL300000321396	0	37	-2.0	-110.78	310.05	4.60	-106.18
CC(C)NC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000321429	0	41	-2.0	-106.10	378.45	5.76	-100.34
CC(C)NC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000321430	0	41	-2.0	-119.18	378.46	5.75	-113.43
CC(C)NC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000321431	0	42	-2.0	-117.79	385.11	5.11	-112.68
CC(C)NC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000321432	0	40	-2.0	-114.89	375.43	3.81	-111.08
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000321433	0	38	-2.0	-105.31	357.82	4.94	-100.37
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000321434	0	38	-2.0	-118.31	357.84	4.93	-113.38
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000321435	0	41	-2.0	-119.73	373.85	5.46	-114.27
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000321436	0	35	-2.0	-112.56	351.03	3.94	-108.62
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000321437	0	41	-2.0	-117.47	373.27	5.72	-111.75
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000321438	0	39	-2.0	-116.69	364.49	4.28	-112.41
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000321439	0	35	-2.0	-113.84	349.49	3.96	-109.88
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000321440	0	38	-2.0	-110.96	360.85	4.07	-106.89
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000321441	0	35	-2.0	-107.28	350.10	4.06	-103.22
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000321442	0	39	-2.0	-115.61	367.55	2.63	-112.98
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000321443	0	41	-2.0	-108.16	380.02	5.70	-102.46
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000321444	0	41	-2.0	-115.23	367.87	5.57	-109.66
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000321445	0	41	-2.0	-104.88	373.25	5.71	-99.17
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000321446	0	42	-2.0	-118.03	385.79	5.13	-112.90
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000321447	0	41	-2.0	-105.58	373.84	5.47	-100.11
CCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000321448	0	37	-2.0	-114.06	354.81	2.99	-111.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)=CC=C1F	REAL300000321449	0	35	-2.0	-112.03	342.72	7.15	-104.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)C=C1	REAL300000321450	0	35	-2.0	-101.90	338.17	7.13	-94.77
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)=C1	REAL300000321451	0	35	-2.0	-115.01	338.18	7.12	-107.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000321452	0	38	-2.0	-116.26	354.20	7.65	-108.61
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)=C1	REAL300000321453	0	35	-2.0	-112.35	343.65	7.18	-105.17
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)=C1	REAL300000321454	0	32	-2.0	-109.37	331.37	6.14	-103.23
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1N1C=CC=N1	REAL300000321455	0	38	-2.0	-114.96	353.62	7.90	-107.06
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000321456	0	36	-2.0	-113.06	344.83	6.47	-106.59
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)=C1	REAL300000321457	0	35	-2.0	-105.21	347.29	6.81	-98.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)=CS1	REAL300000321458	0	32	-2.0	-110.51	329.83	6.15	-104.36
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)C=C(C(=O)[O-])O1	REAL300000321459	0	35	-2.0	-108.10	341.19	6.26	-101.84
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)C=C(C(=O)[O-])S1	REAL300000321460	0	35	-2.0	-111.31	347.88	7.01	-104.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)C=C1F	REAL300000321461	0	35	-2.0	-101.32	342.70	7.16	-94.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)S1	REAL300000321462	0	32	-2.0	-103.94	330.45	6.25	-97.69
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)=C1	REAL300000321463	0	35	-2.0	-105.83	344.59	7.19	-98.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)C(F)=C1	REAL300000321464	0	35	-2.0	-101.58	343.65	7.19	-94.39
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)=C1	REAL300000321465	0	36	-2.0	-113.42	347.90	4.84	-108.58
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)C=C1	REAL300000321466	0	38	-2.0	-105.40	360.36	7.91	-97.49
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1N1C=CC=N1	REAL300000321467	0	38	-2.0	-110.61	348.22	7.76	-102.85
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1N1C=CC=N1	REAL300000321468	1	38	-2.0	-101.36	353.59	7.89	-93.47
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000321469	0	39	-2.0	-114.28	366.21	7.33	-106.95
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)=CC=C1C(=O)[O-]	REAL300000321470	0	38	-2.0	-102.09	354.19	7.67	-94.42
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)=C1F	REAL300000321471	0	35	-2.0	-118.99	341.82	7.15	-111.84
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)=C1	REAL300000321472	0	34	-2.0	-113.31	334.41	5.24	-108.07
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2N2C=CC=N2)C=C(C(=O)[O-])O1	REAL300000321473	0	38	-2.0	-106.88	355.82	7.25	-99.63
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000321474	0	41	-2.0	-89.38	370.96	1.30	-88.08
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000321475	0	34	-2.0	-105.81	319.04	2.75	-103.06
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000321476	0	42	-2.0	-106.26	374.12	3.80	-102.46
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000321477	0	34	-2.0	-95.86	314.48	2.73	-93.13
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000321478	0	34	-2.0	-108.34	314.50	2.72	-105.62
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000321479	0	38	-2.0	-113.08	342.64	2.52	-110.56
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000321480	0	38	-2.0	-95.30	345.95	4.01	-91.29
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000321481	0	37	-2.0	-109.46	330.52	3.25	-106.21
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000321482	0	34	-2.0	-103.31	327.58	3.29	-100.02
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000321483	0	34	-2.0	-104.18	327.01	3.11	-101.07
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000321484	0	34	-2.0	-98.92	340.07	3.66	-95.26
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000321485	0	40	-2.0	-110.22	347.61	4.05	-106.17
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000321486	0	34	-2.0	-105.08	319.97	2.78	-102.30
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000321487	0	40	-2.0	-94.47	358.07	4.31	-90.16
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000321488	0	31	-2.0	-102.55	307.69	1.74	-100.81
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000321489	0	37	-2.0	-108.37	329.94	3.49	-104.88
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000321490	0	38	-2.0	-94.00	345.57	3.00	-91.00
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000321491	0	35	-2.0	-106.66	321.15	2.07	-104.59
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000321492	0	38	-2.0	-108.63	338.70	1.54	-107.09
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000321493	0	34	-2.0	-98.80	323.64	2.40	-96.40
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000321494	0	40	-2.0	-109.60	345.95	4.03	-105.57
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000321495	0	31	-2.0	-103.99	306.15	1.76	-102.23
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000321496	0	42	-2.0	-108.83	372.83	2.53	-106.30
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000321497	0	38	-2.0	-114.14	341.78	2.78	-111.36
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000321498	0	44	-2.0	-112.32	369.74	5.36	-106.96
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000321499	0	43	-2.0	-110.52	368.40	4.72	-105.80
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000321500	0	40	-2.0	-106.34	344.63	4.45	-101.89
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000321501	0	41	-2.0	-114.14	364.94	3.28	-110.86
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000321502	0	36	-3.0	-183.71	342.91	3.28	-180.43
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000321503	0	41	-2.0	-112.67	358.75	4.61	-108.06
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000321504	0	34	-2.0	-101.69	317.51	1.87	-99.82
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000321505	0	40	-2.0	-113.20	356.67	2.49	-110.71
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000321506	0	38	-2.0	-110.02	343.42	1.82	-108.20
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000321507	0	42	-2.0	-94.67	367.42	3.32	-91.35
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000321508	0	34	-2.0	-97.94	342.18	3.57	-94.37
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000321509	0	34	-2.0	-100.04	332.10	3.30	-96.74
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000321510	0	38	-2.0	-92.60	361.60	3.54	-89.06
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000321511	0	41	-2.0	-94.54	365.65	3.71	-90.83
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000321512	0	44	-2.0	-93.29	394.24	3.97	-89.32
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000321513	0	37	-2.0	-99.44	334.79	3.56	-95.88
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000321514	0	47	-2.0	-94.51	408.09	4.64	-89.87
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000321515	0	38	-2.0	-93.56	351.80	3.07	-90.49
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC)C=C1C(=O)[O-]	REAL300000321516	0	41	-2.0	-114.87	363.64	3.69	-111.18
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000321517	0	34	-2.0	-104.97	323.13	2.61	-102.36
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000321518	0	34	-2.0	-97.24	342.73	3.75	-93.49
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000321519	0	34	-2.0	-93.34	327.55	3.28	-90.06
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000321520	0	34	-2.0	-95.35	319.02	2.76	-92.59
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000321521	0	31	-2.0	-97.57	306.76	1.85	-95.72
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000321522	0	34	-2.0	-99.19	320.91	2.78	-96.41
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000321523	0	37	-2.0	-106.54	340.26	3.42	-103.12
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000321524	0	38	-2.0	-98.05	354.82	3.36	-94.69
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000321525	0	34	-2.0	-95.43	319.97	2.79	-92.64
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000321526	0	34	-2.0	-93.46	326.99	3.12	-90.34
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000321527	0	37	-2.0	-101.12	343.53	3.94	-97.18
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000321528	0	42	-2.0	-92.12	378.23	4.13	-87.99
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000321529	0	34	-2.0	-97.44	325.32	2.81	-94.63
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000321530	0	36	-2.0	-93.40	342.69	3.39	-90.01
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000321531	0	34	-3.0	-204.50	320.65	1.32	-203.18
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000321532	0	37	-2.0	-99.04	336.67	3.50	-95.54
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000321533	0	34	-2.0	-98.84	335.21	3.25	-95.59
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000321534	0	37	-2.0	-104.90	324.54	3.35	-101.55
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000321535	0	37	-2.0	-107.19	339.33	3.37	-103.82
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000321536	0	37	-2.0	-95.84	329.92	3.49	-92.35
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000321537	0	40	-2.0	-111.46	347.40	3.79	-107.67
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000321538	0	36	-2.0	-106.64	341.06	3.81	-102.83
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000321539	0	34	-2.0	-96.99	326.24	2.84	-94.15
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000321540	0	40	-2.0	-109.04	348.98	4.11	-104.93
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000321541	0	37	-2.0	-107.42	339.82	3.41	-104.01
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000321542	0	37	-2.0	-105.08	346.27	3.86	-101.22
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000321543	0	37	-2.0	-113.82	339.52	3.41	-110.41
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000321544	0	40	-2.0	-110.15	348.74	3.91	-106.24
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000321545	0	41	-2.0	-111.29	364.97	2.85	-108.44
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000321546	0	37	-2.0	-98.06	340.77	3.89	-94.17
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000321547	0	37	-2.0	-92.39	344.62	3.53	-88.86
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000321548	0	37	-2.0	-105.96	345.73	3.68	-102.28
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000321549	0	38	-2.0	-107.93	342.52	2.95	-104.98
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000321550	0	34	-2.0	-95.68	340.11	3.28	-92.40
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000321551	0	37	-2.0	-101.70	344.37	3.69	-98.01
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000321552	0	43	-2.0	-104.40	363.94	4.83	-99.57
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000321553	0	38	-2.0	-108.82	354.83	3.35	-105.47
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000321554	0	37	-2.0	-96.01	330.51	3.26	-92.75
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000321555	0	39	-2.0	-99.97	357.76	4.90	-95.07
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000321556	0	37	-2.0	-105.77	334.45	3.53	-102.24
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000321557	0	36	-2.0	-116.09	338.25	4.57	-111.52
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000321558	0	34	-2.0	-113.04	318.14	2.74	-110.30
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000321559	0	37	-2.0	-100.05	335.67	3.29	-96.76
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000321560	0	40	-2.0	-116.65	355.54	4.85	-111.80
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000321561	0	33	-2.0	-106.10	310.72	0.84	-105.26
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000321562	0	38	-2.0	-99.93	342.70	2.51	-97.42
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000321563	0	31	-2.0	-95.84	314.60	1.69	-94.15
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000321564	0	41	-2.0	-102.10	360.63	4.61	-97.49
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000321565	0	41	-2.0	-105.80	358.59	4.59	-101.21
CCOC1=NC=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000321566	0	37	-2.0	-101.33	336.63	2.72	-98.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=CC=C1F	REAL300000321567	0	38	-2.0	-110.64	356.66	5.44	-105.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C=C1	REAL300000321568	0	38	-2.0	-100.70	352.27	5.42	-95.28
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=C1	REAL300000321569	0	38	-2.0	-113.36	352.13	5.41	-107.95
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C=C1	REAL300000321570	0	42	-2.0	-99.70	383.74	6.71	-92.99
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000321571	0	41	-2.0	-114.62	368.76	5.88	-108.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=C1C	REAL300000321572	0	44	-2.0	-114.72	385.34	6.73	-107.99
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=C1	REAL300000321573	0	38	-2.0	-109.82	357.61	5.47	-104.35
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C=C1	REAL300000321574	0	44	-2.0	-98.78	395.85	7.00	-91.78
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=C1	REAL300000321575	0	35	-2.0	-107.57	345.32	4.44	-103.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC1=CC=CC=C1	REAL300000321576	0	41	-2.0	-112.84	367.57	6.19	-106.65
CN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000321577	0	39	-2.0	-111.74	358.77	4.78	-106.96
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=C1	REAL300000321578	0	38	-2.0	-103.63	361.37	5.09	-98.54
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000321579	0	44	-2.0	-114.07	384.18	6.64	-107.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=CS1	REAL300000321580	0	35	-2.0	-108.99	343.88	4.44	-104.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC1=CC=CC=C1	REAL300000321581	0	44	-2.0	-110.42	382.26	7.13	-103.29
CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000321582	0	38	-2.0	-106.22	355.14	4.55	-101.67
CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300000321583	0	38	-2.0	-109.39	360.76	5.30	-104.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C=C1F	REAL300000321584	0	38	-2.0	-100.03	356.65	5.45	-94.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)S1	REAL300000321585	0	35	-2.0	-102.38	344.55	4.54	-97.84
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=C1	REAL300000321586	0	38	-2.0	-104.11	358.64	5.47	-98.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C(F)=C1	REAL300000321587	0	38	-2.0	-100.30	357.69	5.47	-94.83
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=C1	REAL300000321588	0	38	-3.0	-212.84	358.28	4.00	-208.84
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=C1	REAL300000321588	1	39	-2.0	-111.12	361.85	3.13	-107.99
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C=C1	REAL300000321589	0	41	-2.0	-103.42	374.45	6.20	-97.22
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1OC1=CC=CC=C1	REAL300000321590	0	41	-2.0	-110.43	362.78	5.98	-104.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1OC1=CC=CC=C1	REAL300000321591	0	41	-2.0	-100.46	367.65	6.17	-94.29
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=CC(C(=O)[O-])=C1C	REAL300000321592	0	44	-2.0	-116.72	385.61	6.39	-110.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C(C)=C1C(=O)[O-]	REAL300000321593	0	44	-2.0	-114.71	386.82	6.79	-107.92
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000321594	0	44	-2.0	-115.28	386.31	6.57	-108.71
CCN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000321595	0	42	-2.0	-113.01	380.15	5.64	-107.37
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000321596	0	41	-2.0	-100.85	368.76	5.89	-94.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=C1F	REAL300000321597	0	38	-2.0	-118.81	355.93	5.44	-113.37
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=C1	REAL300000321598	0	37	-2.0	-111.17	348.44	3.53	-107.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)=C(Cl)O1	REAL300000321599	0	35	-2.0	-100.52	352.24	4.38	-96.14
CCC1=C(S(=O)(=O)[N-]C2=CC=CN=C2OC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000321600	0	41	-2.0	-105.58	374.27	5.41	-100.17
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000321601	0	44	-2.0	-90.01	391.10	2.23	-87.78
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000321602	0	37	-2.0	-106.60	339.17	3.67	-102.93
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(C)C	REAL300000321603	0	45	-2.0	-107.10	394.26	4.74	-102.36
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000321604	0	37	-2.0	-96.63	334.62	3.65	-92.98
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000321605	0	37	-2.0	-109.17	334.64	3.64	-105.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(C)C	REAL300000321606	0	41	-2.0	-114.11	362.78	3.44	-110.67
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000321607	0	41	-2.0	-95.99	366.09	4.93	-91.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000321608	0	40	-2.0	-110.36	350.66	4.17	-106.19
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000321609	0	37	-2.0	-104.09	347.71	4.21	-99.88
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000321610	0	37	-2.0	-104.92	347.15	4.03	-100.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)=C1C	REAL300000321611	0	43	-2.0	-111.03	367.74	4.97	-106.06
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000321612	0	37	-2.0	-106.03	340.12	3.70	-102.33
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000321613	0	43	-2.0	-95.19	378.20	5.23	-89.96
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000321614	0	34	-2.0	-103.51	327.82	2.66	-100.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(C)C	REAL300000321615	0	40	-2.0	-109.15	350.07	4.41	-104.74
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000321616	0	41	-2.0	-94.67	365.70	3.92	-90.75
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000321617	0	38	-2.0	-107.54	341.29	2.99	-104.55
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(C)C	REAL300000321618	0	41	-2.0	-109.49	358.84	2.46	-107.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)=C1	REAL300000321619	0	37	-2.0	-99.68	343.75	3.32	-96.36
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000321620	0	43	-2.0	-110.52	366.09	4.95	-105.57
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000321621	0	34	-2.0	-104.89	326.29	2.68	-102.21
COC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)=CC(C(=O)[O-])=C1OC	REAL300000321622	0	45	-2.0	-109.89	392.96	3.45	-106.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000321623	0	41	-2.0	-115.08	361.93	3.71	-111.37
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000321624	0	47	-2.0	-113.35	389.88	6.28	-107.07
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000321625	0	46	-2.0	-111.45	388.54	5.64	-105.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(C)C	REAL300000321626	0	43	-2.0	-106.99	364.76	5.37	-101.62
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(C)C	REAL300000321627	0	44	-2.0	-115.04	385.07	4.21	-110.83
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000321628	0	39	-3.0	-185.11	363.05	4.20	-180.91
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000321629	0	44	-2.0	-113.65	378.88	5.53	-108.12
CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000321630	0	37	-2.0	-102.45	337.65	2.79	-99.66
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000321631	0	43	-2.0	-114.15	376.81	3.41	-110.74
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)=C1	REAL300000321632	0	41	-2.0	-111.09	363.56	2.74	-108.35
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000321633	0	45	-2.0	-95.41	387.56	4.24	-91.17
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000321634	0	37	-2.0	-100.78	352.24	4.23	-96.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)=CC=C1OCC(=O)[O-]	REAL300000321635	0	44	-2.0	-95.16	385.80	4.63	-90.53
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(C)C	REAL300000321636	0	40	-2.0	-100.35	354.93	4.48	-95.87
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000321637	0	41	-2.0	-94.17	371.94	3.99	-90.18
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000321638	0	44	-2.0	-115.65	383.77	4.61	-111.04
CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)C=C(C(=O)[O-])S1	REAL300000321639	0	37	-2.0	-105.86	343.27	3.53	-102.33
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000321640	0	37	-2.0	-94.09	347.69	4.20	-89.89
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000321641	0	37	-2.0	-96.16	339.18	3.68	-92.48
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000321642	0	34	-2.0	-98.38	326.90	2.77	-95.61
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000321643	0	37	-2.0	-100.14	341.04	3.70	-96.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)=C1F	REAL300000321644	0	40	-2.0	-107.49	360.39	4.34	-103.15
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000321645	0	37	-2.0	-96.19	340.11	3.71	-92.48
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000321646	0	37	-2.0	-94.23	347.15	4.04	-90.19
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(C)C	REAL300000321647	0	40	-2.0	-101.88	363.66	4.87	-97.01
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000321648	0	45	-2.0	-92.74	398.37	5.05	-87.69
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000321649	0	37	-2.0	-98.24	345.46	3.73	-94.51
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000321650	0	39	-2.0	-94.19	362.83	4.31	-89.88
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000321651	0	37	-3.0	-206.30	340.78	2.24	-204.06
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000321652	0	40	-2.0	-99.83	356.81	4.42	-95.41
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000321653	0	37	-2.0	-99.65	355.34	4.17	-95.48
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(C)C	REAL300000321654	0	40	-2.0	-105.76	344.68	4.27	-101.49
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)=CC(C(=O)[O-])=C1F	REAL300000321655	0	40	-2.0	-108.12	359.47	4.29	-103.83
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(C)C	REAL300000321656	0	40	-2.0	-96.51	350.05	4.41	-92.10
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)=CC(C(=O)[O-])=C1C	REAL300000321657	0	43	-2.0	-112.48	367.54	4.71	-107.77
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000321658	0	39	-2.0	-107.46	361.19	4.74	-102.72
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000321659	0	37	-2.0	-97.91	346.38	3.76	-94.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)C(C)=C1C(=O)[O-]	REAL300000321660	0	43	-2.0	-109.93	369.12	5.02	-104.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000321661	0	40	-2.0	-108.47	359.95	4.34	-104.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)=C1Cl	REAL300000321662	0	40	-2.0	-105.94	366.40	4.78	-101.16
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)=C1	REAL300000321663	0	40	-2.0	-114.86	359.67	4.33	-110.53
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000321664	0	43	-2.0	-110.99	368.96	4.83	-106.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)C=C1CC(=O)[O-]	REAL300000321665	0	44	-2.0	-112.12	385.10	3.77	-108.35
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(C)C	REAL300000321666	0	40	-2.0	-98.93	360.90	4.81	-94.12
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)=CC(C(=O)[O-])=C1Cl	REAL300000321667	0	40	-2.0	-106.89	365.86	4.60	-102.29
CCN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000321668	0	41	-2.0	-108.96	362.67	3.87	-105.09
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000321669	0	40	-2.0	-102.71	364.51	4.60	-98.11
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000321670	0	46	-2.0	-105.08	384.07	5.75	-99.33
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000321671	0	40	-2.0	-96.78	350.64	4.19	-92.59
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000321672	0	42	-2.0	-100.70	377.89	5.82	-94.88
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(C)C	REAL300000321673	0	40	-2.0	-106.66	354.59	4.44	-102.22
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000321674	0	39	-2.0	-116.99	358.39	5.49	-111.50
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000321675	0	37	-2.0	-113.93	338.27	3.66	-110.27
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000321676	0	40	-2.0	-100.91	355.80	4.21	-96.70
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000321677	0	43	-2.0	-117.48	375.67	5.77	-111.71
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000321678	0	36	-2.0	-107.07	330.85	1.76	-105.31
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(C)C	REAL300000321679	0	41	-2.0	-100.72	362.85	3.44	-97.28
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000321680	0	34	-2.0	-96.66	334.75	2.61	-94.05
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000321681	0	44	-2.0	-102.90	380.76	5.53	-97.37
CC(C)OC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000321682	0	44	-2.0	-106.68	378.73	5.51	-101.17
CCC1=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000321683	0	40	-2.0	-102.20	356.77	3.64	-98.56
CCCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000321684	0	41	-2.0	-105.25	379.32	5.70	-99.55
CCCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000321685	0	41	-2.0	-118.19	379.33	5.68	-112.51
CCCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000321686	0	42	-2.0	-116.53	385.99	5.05	-111.48
CCCNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000321687	0	40	-2.0	-113.90	376.31	3.76	-110.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3CCCC3)C=C2)C=C1	REAL300000321688	1	45	-2.0	-92.87	387.44	6.31	-86.56
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3CCCC3)C=C2)=C1	REAL300000321689	1	45	-2.0	-104.71	387.45	6.30	-98.41
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3CCCC3)C=C2)=C1	REAL300000321690	0	42	-2.0	-103.08	380.63	5.32	-97.76
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000321691	0	46	-2.0	-103.27	394.10	5.65	-97.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3CCCC3)C=C2)=CS1	REAL300000321692	0	42	-2.0	-100.62	379.10	5.34	-95.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3CCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000321693	0	45	-2.0	-98.84	390.46	5.45	-93.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3CCCC3)C=C2)S1	REAL300000321694	0	42	-2.0	-98.12	379.72	5.43	-92.69
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3CCCC3)C=C2)=C1	REAL300000321695	0	44	-2.0	-102.15	383.66	4.43	-97.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000321698	1	35	-2.0	-104.40	328.41	6.35	-98.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300000321699	0	39	-2.0	-109.18	355.54	5.99	-103.19
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000321702	0	35	-2.0	-99.73	340.46	6.76	-92.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=CC=C1Cl	REAL300000321703	1	35	-2.0	-100.44	340.91	6.75	-93.69
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000321705	0	35	-2.0	-101.05	332.87	6.25	-94.80
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C1	REAL300000321706	1	41	-2.0	-91.91	371.98	7.94	-83.97
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000321707	0	32	-2.0	-98.12	320.58	5.20	-92.92
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C1C(=O)[O-]	REAL300000321710	1	36	-2.0	-103.01	335.05	5.72	-97.29
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000321712	0	35	-2.0	-94.29	336.51	5.87	-88.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=CS1	REAL300000321714	1	32	-2.0	-100.45	320.06	5.40	-95.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000321717	0	35	-2.0	-98.23	330.40	5.32	-92.91
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000321718	0	39	-2.0	-104.75	356.38	5.28	-99.47
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300000321719	1	38	-2.0	-95.90	348.10	7.01	-88.89
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000321720	1	35	-2.0	-101.70	335.99	6.09	-95.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C(Cl)=C1	REAL300000321721	1	35	-2.0	-89.42	340.44	6.75	-82.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C1F	REAL300000321722	1	35	-2.0	-92.72	332.93	6.40	-86.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)S1	REAL300000321723	0	32	-2.0	-93.23	319.67	5.32	-87.91
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000321724	1	35	-2.0	-93.83	333.80	6.26	-87.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1F	REAL300000321725	0	38	-2.0	-102.28	353.17	6.89	-95.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C(F)=C1	REAL300000321726	0	35	-2.0	-90.85	332.86	6.26	-84.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=CC(F)=C1F	REAL300000321728	1	35	-2.0	-92.38	338.21	6.28	-86.10
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000321729	0	36	-2.0	-104.25	337.11	3.89	-100.36
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000321729	1	36	-2.0	-105.63	336.21	4.77	-100.86
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C1	REAL300000321730	1	38	-2.0	-97.19	350.59	7.14	-90.05
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000321735	0	35	-2.0	-92.70	339.15	6.31	-86.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C1C(=O)[O-]	REAL300000321737	0	38	-2.0	-103.25	352.71	6.89	-96.36
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000321738	0	38	-2.0	-107.85	352.43	6.88	-100.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C1C(=O)[O-]	REAL300000321740	1	39	-2.0	-104.22	356.43	6.58	-97.64
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1F	REAL300000321743	0	35	-2.0	-107.21	331.06	6.22	-100.99
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C1C(=O)[O-]	REAL300000321744	1	38	-2.0	-97.40	353.35	7.04	-90.36
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000321745	0	34	-2.0	-101.14	324.38	4.24	-96.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300000321746	0	39	-2.0	-95.71	355.60	5.98	-89.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C(Cl)O1	REAL300000321747	0	32	-2.0	-91.98	327.54	5.16	-86.82
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000321748	0	38	-2.0	-98.24	349.53	6.17	-92.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=CC=C1F	REAL300000321749	1	32	-2.0	-103.17	315.72	4.68	-98.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C1	REAL300000321750	1	32	-2.0	-93.46	311.16	4.65	-88.81
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000321751	1	32	-2.0	-105.54	311.18	4.63	-100.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)C(F)=C1	REAL300000321752	0	36	-2.0	-111.34	339.32	4.44	-106.90
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C1	REAL300000321753	1	36	-2.0	-93.45	342.64	5.94	-87.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000321754	1	35	-2.0	-107.88	331.25	5.29	-102.59
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000321755	0	32	-2.0	-101.76	324.25	5.22	-96.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=CC=C1Cl	REAL300000321756	1	32	-2.0	-101.51	323.68	5.04	-96.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C1C	REAL300000321757	1	38	-2.0	-106.80	343.85	5.99	-100.81
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000321758	0	32	-2.0	-103.07	316.65	4.71	-98.36
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C1	REAL300000321759	1	38	-2.0	-92.55	354.76	6.23	-86.32
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000321760	0	29	-2.0	-99.73	304.36	3.66	-96.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)C(F)=C1	REAL300000321761	1	35	-2.0	-107.19	326.61	5.43	-101.76
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000321763	0	33	-2.0	-103.95	317.82	4.00	-99.95
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000321765	0	32	-2.0	-94.40	320.29	4.32	-90.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=CS1	REAL300000321767	0	29	-2.0	-101.27	302.83	3.68	-97.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)C(F)=C1	REAL300000321769	1	38	-2.0	-105.96	341.33	6.36	-99.60
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000321770	0	32	-2.0	-100.04	314.18	3.78	-96.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000321771	0	36	-2.0	-104.90	340.16	3.73	-101.17
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)C(F)=C1	REAL300000321772	1	35	-2.0	-95.53	331.88	5.46	-90.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000321773	0	32	-2.0	-103.58	319.78	4.54	-99.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C(Cl)=C1	REAL300000321774	0	32	-2.0	-91.15	324.23	5.21	-85.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C1F	REAL300000321775	1	32	-2.0	-93.06	315.70	4.68	-88.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)S1	REAL300000321776	0	29	-2.0	-94.81	303.45	3.77	-91.04
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000321777	1	32	-2.0	-96.52	317.58	4.71	-91.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C1F	REAL300000321778	0	35	-2.0	-102.08	336.94	5.34	-96.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C(F)=C1	REAL300000321779	0	32	-2.0	-92.67	316.64	4.72	-87.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C1Cl	REAL300000321780	1	32	-2.0	-91.04	323.67	5.05	-85.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=CC(F)=C1F	REAL300000321781	1	32	-2.0	-94.87	321.99	4.74	-90.13
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000321782	0	33	-2.0	-106.32	320.89	2.35	-103.97
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000321782	1	33	-2.0	-106.19	320.06	3.15	-103.04
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C1	REAL300000321783	1	35	-2.0	-97.23	333.36	5.42	-91.81
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)C(F)=C1	REAL300000321784	1	35	-2.0	-101.54	321.25	5.28	-96.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=CC(C(=O)[O-])=C1F	REAL300000321785	1	35	-2.0	-104.43	336.03	5.30	-99.13
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=CC(C(=O)[O-])=C1C	REAL300000321787	1	38	-2.0	-108.46	344.06	5.70	-102.76
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000321788	0	32	-2.0	-94.64	322.93	4.77	-89.87
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000321790	0	35	-2.0	-104.10	332.65	5.24	-98.86
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000321791	0	35	-2.0	-108.31	336.21	5.34	-102.97
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000321792	1	38	-2.0	-107.28	345.42	5.82	-101.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000321793	0	36	-2.0	-105.17	339.20	4.87	-100.30
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000321794	1	35	-2.0	-93.54	327.18	5.19	-88.35
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)C(F)=C1	REAL300000321795	1	35	-2.0	-102.65	330.71	5.48	-97.17
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C1F	REAL300000321796	0	32	-2.0	-107.66	314.83	4.68	-102.98
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000321797	1	35	-2.0	-98.20	336.12	5.32	-92.88
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000321798	0	31	-2.0	-100.69	308.16	2.70	-97.99
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)C(F)=C1	REAL300000321799	0	36	-2.0	-95.84	339.38	4.44	-91.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)=C(Cl)O1	REAL300000321800	0	29	-2.0	-93.62	311.32	3.62	-90.00
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000321801	0	35	-2.0	-100.11	333.31	4.63	-95.48
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000321802	0	38	-2.0	-107.57	359.53	6.61	-100.96
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000321803	0	38	-2.0	-97.38	354.97	6.59	-90.79
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000321804	0	38	-2.0	-110.29	354.99	6.59	-103.70
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000321805	0	42	-2.0	-115.70	383.13	6.39	-109.31
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000321806	0	42	-2.0	-96.64	386.44	7.88	-88.76
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000321807	0	41	-2.0	-111.57	371.01	7.12	-104.45
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000321808	0	44	-2.0	-113.16	387.66	7.93	-105.23
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000321809	0	38	-2.0	-107.54	360.46	6.65	-100.89
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000321810	0	44	-2.0	-95.96	398.58	8.17	-87.79
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000321811	0	35	-2.0	-104.48	348.18	5.61	-98.87
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000321812	0	41	-2.0	-110.89	370.42	7.36	-103.53
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000321813	0	42	-2.0	-95.29	386.06	6.87	-88.42
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000321814	0	39	-2.0	-108.53	361.64	5.94	-102.59
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000321815	0	42	-2.0	-111.45	378.77	5.43	-106.02
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000321816	0	38	-2.0	-100.55	364.12	6.28	-94.27
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000321817	0	44	-2.0	-112.20	386.45	7.90	-104.30
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000321818	0	35	-2.0	-105.88	346.64	5.62	-100.26
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000321819	0	42	-2.0	-116.08	382.28	6.66	-109.42
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000321820	0	44	-2.0	-108.77	385.11	8.31	-100.46
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000321821	0	38	-2.0	-103.84	358.00	5.73	-98.11
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000321822	0	42	-2.0	-111.49	383.91	5.68	-105.81
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000321823	0	38	-2.0	-107.13	364.68	6.47	-100.66
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000321824	0	38	-2.0	-96.80	359.51	6.63	-90.17
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000321825	0	35	-2.0	-99.26	347.25	5.71	-93.55
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000321826	0	38	-2.0	-101.00	361.41	6.65	-94.35
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000321827	0	38	-2.0	-96.98	360.45	6.66	-90.32
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000321828	0	39	-2.0	-109.59	364.71	4.28	-105.31
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000321829	0	41	-2.0	-101.04	377.18	7.37	-93.67
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000321830	0	41	-2.0	-106.35	365.03	7.23	-99.12
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000321831	0	41	-2.0	-97.39	370.41	7.36	-90.03
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000321832	0	44	-2.0	-113.55	388.45	7.67	-105.88
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000321833	0	44	-2.0	-110.91	388.52	7.99	-102.92
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000321834	0	44	-2.0	-112.23	389.31	7.77	-104.46
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000321835	0	42	-2.0	-109.85	382.93	6.79	-103.06
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000321836	0	41	-2.0	-97.66	371.00	7.14	-90.52
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000321837	0	38	-2.0	-114.50	358.62	6.61	-107.89
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000321838	0	37	-2.0	-107.45	351.96	4.65	-102.80
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000321839	0	42	-2.0	-101.66	383.19	6.39	-95.27
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000321840	0	35	-2.0	-97.79	355.10	5.56	-92.23
CCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000321841	0	41	-2.0	-103.51	377.12	6.58	-96.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)=CC=C1F	REAL300000321842	1	38	-2.0	-104.64	356.90	5.35	-99.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C=C1	REAL300000321843	1	38	-2.0	-94.91	352.35	5.33	-89.58
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)=C1	REAL300000321844	0	38	-2.0	-107.15	352.37	5.31	-101.84
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C=C1	REAL300000321845	0	42	-2.0	-94.83	383.82	6.62	-88.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000321846	1	41	-2.0	-109.59	372.40	5.98	-103.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)=C1C	REAL300000321847	1	44	-2.0	-110.64	384.76	6.63	-104.01
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)=C1	REAL300000321848	0	38	-2.0	-104.57	357.85	5.37	-99.20
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C=C1	REAL300000321849	0	44	-2.0	-94.11	395.94	6.90	-87.21
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)=C1	REAL300000321850	0	35	-2.0	-101.40	345.55	4.34	-97.06
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2=CC=CC=C2)N=C1	REAL300000321851	1	41	-2.0	-108.91	367.90	6.11	-102.80
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000321852	0	39	-2.0	-105.50	359.11	4.69	-100.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)=C1	REAL300000321853	0	38	-2.0	-97.49	361.57	5.01	-92.48
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000321854	1	44	-2.0	-110.13	383.99	6.59	-103.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)=CS1	REAL300000321855	0	35	-2.0	-102.75	344.02	4.35	-98.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2=CC=CC=C2)N=C1	REAL300000321856	0	44	-2.0	-107.57	382.51	7.05	-100.52
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000321857	0	38	-2.0	-101.63	355.38	4.46	-97.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000321858	0	38	-2.0	-105.04	362.16	5.21	-99.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C=C1F	REAL300000321859	0	38	-2.0	-94.53	356.98	5.38	-89.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)S1	REAL300000321860	0	35	-2.0	-96.40	344.64	4.44	-91.96
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)=C1	REAL300000321861	0	38	-2.0	-98.06	358.77	5.39	-92.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C(F)=C1	REAL300000321862	0	38	-2.0	-94.06	357.92	5.40	-88.66
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)=C1	REAL300000321863	0	39	-2.0	-107.99	362.08	3.03	-104.96
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C=C1	REAL300000321864	0	41	-2.0	-98.56	374.54	6.09	-92.47
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2=CC=CC=C2)N=C1	REAL300000321865	1	41	-2.0	-102.91	362.54	5.97	-96.94
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2=CC=CC=C2)N=C1	REAL300000321866	1	41	-2.0	-95.38	367.88	6.10	-89.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000321867	1	44	-2.0	-111.11	389.47	6.45	-104.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000321868	1	44	-2.0	-107.06	387.05	6.70	-100.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000321869	1	44	-2.0	-108.71	386.24	6.50	-102.21
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000321870	0	42	-2.0	-106.75	380.48	5.54	-101.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000321871	1	41	-2.0	-94.97	368.74	5.85	-89.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)=C1F	REAL300000321872	0	38	-2.0	-110.32	356.09	5.36	-104.96
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)=C1	REAL300000321873	0	37	-2.0	-104.56	348.59	3.44	-101.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)=C(Cl)O1	REAL300000321874	0	35	-2.0	-95.28	352.62	4.31	-90.97
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000321875	0	41	-2.0	-101.64	374.50	5.31	-96.33
CCS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000321879	0	36	-2.0	-101.09	353.96	1.62	-99.47
CCS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000321881	1	40	-2.0	-109.51	367.44	1.96	-107.55
CCS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000321882	1	36	-2.0	-103.16	352.42	1.64	-101.52
CCS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000321883	0	39	-2.0	-105.72	363.83	1.74	-103.98
CCS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000321884	0	36	-2.0	-99.94	353.05	1.73	-98.21
CCS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000321889	0	38	-2.0	-104.79	356.99	0.72	-104.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=CC=C1F	REAL300000321890	1	34	-2.0	-105.02	324.72	3.44	-101.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1	REAL300000321891	1	34	-2.0	-94.15	320.18	3.42	-90.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321892	1	34	-2.0	-106.29	320.19	3.41	-102.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=CO2)C=C1	REAL300000321893	0	38	-2.0	-111.62	348.33	3.21	-108.41
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1	REAL300000321894	1	38	-2.0	-93.73	351.65	4.70	-89.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1C(=O)[O-]	REAL300000321895	1	37	-2.0	-108.79	340.28	4.06	-104.73
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321896	0	34	-2.0	-101.99	333.26	3.98	-98.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=CC=C1Cl	REAL300000321897	1	34	-2.0	-103.37	332.70	3.80	-99.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1C	REAL300000321898	1	40	-2.0	-109.44	352.85	4.76	-104.68
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321899	0	34	-2.0	-103.47	325.67	3.47	-100.00
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1	REAL300000321900	1	40	-2.0	-92.96	363.76	5.00	-87.96
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321901	0	31	-2.0	-100.67	313.37	2.42	-98.25
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=CO2)C=C1	REAL300000321902	1	37	-2.0	-107.39	335.63	4.20	-103.19
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1	REAL300000321903	1	38	-2.0	-92.44	351.27	3.70	-88.74
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1C(=O)[O-]	REAL300000321904	0	35	-2.0	-104.71	326.85	2.76	-101.95
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321906	0	34	-2.0	-96.91	329.32	3.10	-93.81
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1C(=O)[O-]	REAL300000321907	1	40	-2.0	-109.91	355.64	4.84	-105.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=CS1	REAL300000321908	0	31	-2.0	-103.30	311.84	2.44	-100.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1C(=O)[O-]	REAL300000321909	1	38	-2.0	-112.22	347.48	3.48	-108.74
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321910	1	44	-2.0	-110.98	375.42	6.04	-104.94
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=CO2)C=C1	REAL300000321911	1	43	-2.0	-109.43	374.09	5.43	-104.00
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=CO2)C=C1	REAL300000321912	1	40	-2.0	-105.88	350.33	5.15	-100.73
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=CO2)C=C1	REAL300000321913	0	41	-2.0	-111.91	370.62	3.97	-107.94
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=CN=CO3)C=C2)=CC(C(=O)[O-])=C1	REAL300000321914	0	37	-2.0	-111.17	355.13	3.86	-107.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=CC(C(=O)[O-])=C1	REAL300000321914	1	36	-3.0	-182.37	348.60	3.97	-178.40
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321915	1	41	-2.0	-111.34	364.44	5.32	-106.02
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C(C(=O)[O-])O1	REAL300000321916	0	34	-2.0	-100.55	323.23	2.56	-97.99
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321917	0	38	-2.0	-107.36	349.18	2.50	-104.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C(Cl)C=C1F	REAL300000321918	0	34	-2.0	-98.84	337.78	4.00	-94.84
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=CC=C1OCC(=O)[O-]	REAL300000321919	1	41	-2.0	-92.85	371.35	4.40	-88.45
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=CO2)C=C1	REAL300000321920	1	37	-2.0	-98.03	340.90	4.24	-93.79
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1F	REAL300000321921	1	38	-2.0	-93.06	357.48	3.76	-89.30
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1C(=O)[O-]	REAL300000321922	1	41	-2.0	-113.99	369.32	4.39	-109.60
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C(C(=O)[O-])S1	REAL300000321923	0	34	-2.0	-103.91	328.80	3.30	-100.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C(Cl)=C1	REAL300000321924	0	34	-2.0	-91.71	333.24	3.97	-87.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1F	REAL300000321925	1	34	-2.0	-93.78	324.73	3.45	-90.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)S1	REAL300000321926	0	31	-2.0	-95.73	312.45	2.54	-93.19
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321927	1	34	-2.0	-98.43	326.60	3.48	-94.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1F	REAL300000321928	0	37	-2.0	-104.83	345.96	4.11	-100.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C(F)=C1	REAL300000321929	0	34	-2.0	-93.46	325.66	3.48	-89.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1Cl	REAL300000321930	1	34	-2.0	-91.76	332.70	3.81	-87.95
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=CO2)C=C1	REAL300000321931	1	37	-2.0	-99.71	349.64	4.62	-95.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=CC(F)=C1F	REAL300000321932	1	34	-2.0	-95.60	331.02	3.50	-92.10
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321933	0	36	-2.0	-92.55	348.38	4.08	-88.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321934	0	35	-2.0	-106.27	329.91	1.12	-105.15
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321934	1	35	-2.0	-106.54	329.13	1.92	-104.62
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1	REAL300000321935	1	37	-2.0	-97.53	342.36	4.19	-93.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=CC(Cl)=C1F	REAL300000321936	1	34	-2.0	-96.96	340.91	3.94	-93.02
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=CO2)C=C1	REAL300000321937	1	37	-2.0	-103.81	333.48	4.16	-99.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000321938	1	37	-2.0	-105.22	345.03	4.06	-101.16
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=CO2)C=C1	REAL300000321939	1	37	-2.0	-94.51	335.60	4.19	-90.32
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000321940	1	40	-2.0	-110.42	353.07	4.48	-105.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000321941	0	36	-2.0	-104.91	346.77	4.50	-100.41
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321942	0	34	-2.0	-95.25	331.94	3.54	-91.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C(C)=C1C(=O)[O-]	REAL300000321943	1	40	-2.0	-106.94	353.58	4.82	-102.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1C(=O)[O-]	REAL300000321944	0	37	-2.0	-104.49	341.67	4.01	-100.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1Cl	REAL300000321945	0	37	-2.0	-103.68	351.94	4.55	-99.13
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321946	0	37	-2.0	-111.00	345.23	4.10	-106.90
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1C(=O)[O-]	REAL300000321947	1	40	-2.0	-109.24	354.43	4.60	-104.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1CC(=O)[O-]	REAL300000321948	1	41	-2.0	-108.56	370.67	3.54	-105.02
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=CO2)C=C1	REAL300000321949	1	37	-2.0	-95.82	346.45	4.59	-91.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000321950	1	37	-2.0	-103.91	351.41	4.38	-99.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1C(=O)[O-]	REAL300000321951	0	38	-2.0	-106.01	348.21	3.63	-102.38
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1C(=O)[O-]	REAL300000321952	1	37	-2.0	-100.81	353.97	4.48	-96.33
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=CC=C1C(=O)[O-]	REAL300000321953	1	37	-2.0	-94.27	336.20	3.95	-90.32
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=CO2)C=C1	REAL300000321954	1	37	-2.0	-104.86	340.14	4.23	-100.63
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1[N+](=O)[O-]	REAL300000321955	0	36	-2.0	-113.44	343.92	5.27	-108.17
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1F	REAL300000321956	0	34	-2.0	-110.27	323.85	3.44	-106.83
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C1C(=O)[O-]	REAL300000321957	1	37	-2.0	-99.04	345.15	4.09	-94.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=CC2=CC=CC=C21	REAL300000321958	1	40	-2.0	-114.34	361.23	5.53	-108.81
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C1	REAL300000321959	0	33	-2.0	-103.92	316.41	1.54	-102.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CN=CO2)C=C1	REAL300000321960	0	38	-2.0	-98.27	348.39	3.21	-95.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)=C(Cl)O1	REAL300000321961	0	31	-2.0	-94.41	320.34	2.39	-92.02
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=CN=CO4)C=C3)C=C2)CC1	REAL300000321962	1	41	-2.0	-99.77	364.17	5.24	-94.53
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=CN=CO4)C=C3)C=C2C1	REAL300000321963	1	41	-2.0	-104.36	365.63	5.31	-99.05
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CN=CO3)C=C2)C=C(C(=O)[O-])O1	REAL300000321964	0	37	-2.0	-100.39	342.31	3.41	-96.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)NC3CC3)=C2)C=C1	REAL300000321965	1	39	-2.0	-88.89	366.22	5.51	-83.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)NC3CC3)=C2)=C1	REAL300000321966	1	39	-2.0	-100.42	366.24	5.50	-94.92
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)NC3CC3)=C2)C=C1C(=O)[O-]	REAL300000321967	0	40	-2.0	-98.94	372.89	4.86	-94.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)NC3CC3)=C2)C=C(C(=O)[O-])O1	REAL300000321968	0	39	-2.0	-95.41	369.25	4.64	-90.77
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)NC3CC3)=C2)=C1	REAL300000321969	0	38	-2.0	-97.88	362.46	3.64	-94.24
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000321970	1	44	-2.0	-105.62	388.33	5.67	-99.95
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000321971	1	44	-2.0	-92.24	383.78	5.65	-86.59
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000321972	1	44	-2.0	-104.02	383.82	5.64	-98.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000321973	1	47	-2.0	-106.32	403.89	6.29	-100.03
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000321974	0	44	-2.0	-105.73	389.28	5.70	-100.03
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000321975	0	41	-2.0	-102.29	376.98	4.66	-97.63
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCC(C)C)C=C1	REAL300000321976	1	47	-2.0	-104.54	399.24	6.43	-98.11
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000321977	0	45	-2.0	-102.61	390.45	4.99	-97.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(C)C)C=C2)=C1	REAL300000321978	0	44	-2.0	-94.87	392.91	5.32	-89.55
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000321979	0	41	-2.0	-103.76	375.45	4.68	-99.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000321980	0	44	-2.0	-98.20	386.83	4.79	-93.41
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000321981	0	44	-2.0	-101.28	392.43	5.55	-95.73
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000321982	1	44	-2.0	-91.99	388.34	5.68	-86.31
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000321983	0	41	-2.0	-93.72	376.06	4.77	-88.95
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000321984	1	44	-2.0	-95.18	390.21	5.71	-89.47
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000321985	0	44	-2.0	-94.91	389.27	5.71	-89.20
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000321986	0	45	-2.0	-103.40	393.51	3.36	-100.04
CC(C)CNC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000321986	1	45	-2.0	-108.62	392.74	4.17	-104.45
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000321987	1	47	-2.0	-95.12	405.97	6.42	-88.70
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCC(C)C)C=C1	REAL300000321988	1	47	-2.0	-101.90	397.09	6.39	-95.51
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCC(C)C)C=C1	REAL300000321989	1	47	-2.0	-96.18	399.21	6.42	-89.76
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000321990	0	48	-2.0	-103.74	411.82	5.86	-97.88
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000321991	1	47	-2.0	-95.82	399.81	6.18	-89.64
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000321992	0	44	-2.0	-108.43	387.46	5.66	-102.77
CC(C)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000321993	0	43	-2.0	-105.51	380.01	3.77	-101.74
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000321994	0	47	-2.0	-98.04	405.92	5.63	-92.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=NC3=O)=C2)C=C1	REAL300000321995	1	40	-2.0	-102.91	366.13	5.62	-97.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=NC3=O)=C2)=C1	REAL300000321996	1	40	-2.0	-136.25	366.21	5.61	-130.64
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=NC3=O)=C2)=C1	REAL300000321998	0	37	-2.0	-109.03	359.39	4.62	-104.41
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=CC=NC2=O)=C1	REAL300000321999	1	43	-2.0	-117.30	381.63	6.39	-110.91
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=NC3=O)=C2)C=C1C(=O)[O-]	REAL300000322000	1	41	-2.0	-132.94	372.85	4.96	-127.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=NC3=O)=C2)=CS1	REAL300000322001	0	37	-2.0	-110.53	357.79	4.64	-105.89
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=NC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000322002	0	40	-2.0	-109.91	369.21	4.74	-105.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=NC3=O)=C2)S1	REAL300000322003	0	37	-2.0	-104.60	358.47	4.74	-99.86
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=NC3=O)=C2)C=C1	REAL300000322004	1	43	-2.0	-107.47	388.32	6.39	-101.08
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=CC=NC2=O)=C1	REAL300000322005	1	43	-2.0	-110.58	376.27	6.25	-104.33
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CN3C=CC=NC3=O)=C2)=C1	REAL300000322008	0	39	-2.0	-112.17	362.42	3.73	-108.44
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000322009	1	41	-2.0	-106.30	363.15	6.76	-99.54
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000322010	1	41	-2.0	-96.29	358.59	6.73	-89.56
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000322011	1	41	-2.0	-108.90	358.62	6.73	-102.17
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(C)C)=C1	REAL300000322012	0	45	-2.0	-113.94	386.76	6.52	-107.42
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000322013	1	45	-2.0	-95.79	390.07	8.02	-87.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000322014	1	44	-2.0	-110.04	374.63	7.26	-102.78
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000322015	0	41	-2.0	-103.99	371.69	7.30	-96.69
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000322016	1	41	-2.0	-104.71	371.12	7.12	-97.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)=C1C	REAL300000322017	1	47	-2.0	-111.36	391.30	8.08	-103.28
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000322018	0	41	-2.0	-105.73	364.09	6.79	-98.94
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000322019	1	47	-2.0	-94.96	402.18	8.32	-86.64
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000322020	0	38	-2.0	-103.07	351.80	5.74	-97.33
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(C)C)=C1	REAL300000322021	1	44	-2.0	-109.17	374.05	7.51	-101.66
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000322022	1	45	-2.0	-94.47	389.70	7.01	-87.46
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000322023	0	42	-2.0	-107.27	365.26	6.07	-101.20
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)=C1	REAL300000322025	0	41	-2.0	-99.22	367.74	6.41	-92.81
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000322026	1	47	-2.0	-110.73	389.69	8.07	-102.66
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000322027	0	38	-2.0	-104.56	350.27	5.76	-98.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000322028	1	45	-2.0	-114.66	385.90	6.79	-107.87
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000322029	1	50	-2.0	-111.51	412.51	8.73	-102.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(C)C)=C1	REAL300000322030	1	47	-2.0	-107.36	388.77	8.44	-98.92
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(C)C)=C1	REAL300000322031	0	48	-2.0	-115.06	409.05	7.29	-107.77
CC(C)COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000322032	0	44	-2.0	-108.49	393.55	7.16	-101.33
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000322032	1	43	-3.0	-184.64	387.02	7.29	-177.35
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000322033	1	48	-2.0	-113.38	402.86	8.62	-104.76
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000322034	0	41	-2.0	-102.23	361.63	5.86	-96.37
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)=C1	REAL300000322035	0	45	-2.0	-110.19	387.60	5.81	-104.38
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)=CC=C1OCC(=O)[O-]	REAL300000322036	1	48	-2.0	-94.99	409.76	7.72	-87.27
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(C)C)=C1	REAL300000322037	1	44	-2.0	-99.77	379.32	7.54	-92.23
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000322038	1	45	-2.0	-93.95	395.91	7.07	-86.88
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000322039	1	48	-2.0	-115.48	407.75	7.70	-107.78
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000322040	0	41	-2.0	-105.63	367.22	6.62	-99.01
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000322041	0	41	-2.0	-93.83	371.67	7.29	-86.54
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000322042	1	41	-2.0	-95.76	363.13	6.77	-88.99
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000322043	0	38	-2.0	-97.94	350.89	5.86	-92.08
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000322044	1	41	-2.0	-99.62	365.03	6.78	-92.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)=C1F	REAL300000322045	0	44	-2.0	-107.18	384.37	7.43	-99.75
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000322046	0	41	-2.0	-95.85	364.08	6.80	-89.05
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000322047	1	41	-2.0	-93.88	371.10	7.13	-86.75
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(C)C)=C1	REAL300000322048	1	44	-2.0	-101.44	388.06	7.93	-93.51
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000322049	1	41	-2.0	-97.78	369.44	6.82	-90.96
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000322050	0	43	-2.0	-93.76	386.81	7.40	-86.36
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000322051	0	42	-2.0	-107.80	368.33	4.44	-103.36
CC(C)COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000322051	1	42	-2.0	-106.42	367.53	5.22	-101.20
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000322052	1	44	-2.0	-99.46	380.78	7.51	-91.95
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC(C)C)=C1	REAL300000322053	1	44	-2.0	-105.61	368.69	7.36	-98.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000322054	1	44	-2.0	-107.64	383.45	7.38	-100.26
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC(C)C)=C1	REAL300000322055	1	44	-2.0	-96.33	374.03	7.50	-88.83
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)=CC(C(=O)[O-])=C1C	REAL300000322056	1	47	-2.0	-113.46	395.42	7.90	-105.56
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000322057	0	43	-2.0	-106.94	385.17	7.82	-99.12
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000322058	0	41	-2.0	-97.40	370.38	6.85	-90.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)C(C)=C1C(=O)[O-]	REAL300000322059	1	47	-2.0	-109.76	393.10	8.11	-101.65
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000322060	0	44	-2.0	-108.06	383.93	7.42	-100.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)=C1Cl	REAL300000322061	0	44	-2.0	-105.74	390.38	7.86	-97.88
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)=C1	REAL300000322062	0	44	-2.0	-114.46	383.65	7.42	-107.04
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000322063	1	47	-2.0	-110.80	392.55	7.91	-102.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)C=C1CC(=O)[O-]	REAL300000322064	1	48	-2.0	-109.92	409.08	6.86	-103.06
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(C)C)=C1	REAL300000322065	1	44	-2.0	-98.53	385.40	7.88	-90.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000322066	1	44	-2.0	-106.53	389.84	7.69	-98.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000322067	0	45	-2.0	-108.62	386.75	6.94	-101.68
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000322068	1	44	-2.0	-103.33	392.36	7.80	-95.53
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000322069	1	44	-2.0	-96.48	374.62	7.27	-89.21
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(C)C)=C1	REAL300000322070	1	44	-2.0	-106.46	378.57	7.55	-98.91
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000322071	0	43	-2.0	-117.01	382.37	8.59	-108.42
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000322072	0	41	-2.0	-113.78	362.23	6.75	-107.03
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000322073	1	44	-2.0	-101.51	383.56	7.40	-94.11
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000322074	1	47	-2.0	-117.28	399.66	8.85	-108.43
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000322075	0	40	-2.0	-106.66	354.83	4.85	-101.81
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC(C)C)=C1	REAL300000322076	0	45	-2.0	-100.59	386.82	6.53	-94.06
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000322077	0	38	-2.0	-96.22	358.77	5.70	-90.52
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000322078	1	48	-2.0	-102.57	404.74	8.62	-93.95
CC(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000322079	1	48	-2.0	-107.25	404.06	8.62	-98.63
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000322080	0	44	-2.0	-101.97	380.75	6.71	-95.26
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000322081	1	39	-2.0	-112.10	363.91	6.58	-105.52
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000322082	1	39	-2.0	-102.19	359.34	6.56	-95.63
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000322083	1	39	-2.0	-114.60	359.37	6.55	-108.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCCC#N)=C1	REAL300000322084	0	43	-2.0	-119.46	387.52	6.34	-113.12
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000322085	1	43	-2.0	-101.65	390.84	7.84	-93.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)C=C1C(=O)[O-]	REAL300000322086	1	42	-2.0	-115.80	375.38	7.08	-108.72
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000322087	0	39	-2.0	-109.61	372.44	7.12	-102.49
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000322088	1	39	-2.0	-110.42	371.88	6.94	-103.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)=C1C	REAL300000322089	1	45	-2.0	-116.98	392.04	7.90	-109.08
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000322090	0	39	-2.0	-111.43	364.85	6.61	-104.82
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000322091	1	45	-2.0	-100.79	402.93	8.14	-92.65
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000322092	0	36	-2.0	-108.95	352.55	5.56	-103.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCCC#N)=C1	REAL300000322093	1	42	-2.0	-114.85	374.81	7.33	-107.52
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000322094	1	43	-2.0	-100.40	390.45	6.83	-93.57
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)C=C1C(=O)[O-]	REAL300000322095	0	40	-2.0	-113.09	366.02	5.90	-107.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)=C1	REAL300000322097	0	39	-2.0	-105.17	368.48	6.23	-98.94
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)C=C1C(=O)[O-]	REAL300000322098	1	45	-2.0	-116.40	390.44	7.89	-108.51
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000322099	0	36	-2.0	-110.36	351.02	5.58	-104.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)C=C1C(=O)[O-]	REAL300000322100	1	43	-2.0	-120.50	386.66	6.62	-113.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCCC#N)=C1	REAL300000322101	1	45	-2.0	-112.90	389.51	8.26	-104.64
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)C=C(C(=O)[O-])O1	REAL300000322102	0	39	-2.0	-108.18	362.38	5.69	-102.49
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)=C1	REAL300000322103	0	43	-2.0	-115.92	388.35	5.64	-110.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCCC#N)=C1	REAL300000322104	1	42	-2.0	-105.53	380.07	7.37	-98.16
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)C=C(C(=O)[O-])S1	REAL300000322105	0	39	-2.0	-111.33	367.96	6.44	-104.89
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000322106	0	39	-2.0	-99.68	372.42	7.11	-92.57
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000322107	1	39	-2.0	-101.71	363.89	6.59	-95.12
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000322108	0	36	-2.0	-103.92	351.64	5.68	-98.24
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000322109	1	39	-2.0	-105.50	365.78	6.61	-98.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)=C1F	REAL300000322110	0	42	-2.0	-112.97	385.12	7.25	-105.72
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000322111	0	39	-2.0	-101.69	364.83	6.62	-95.07
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000322112	1	39	-2.0	-99.80	371.86	6.95	-92.85
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000322113	1	39	-2.0	-103.68	370.19	6.64	-97.04
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000322114	0	40	-2.0	-113.59	369.08	4.25	-109.34
N#CCCCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000322114	1	40	-2.0	-111.92	368.18	5.13	-106.79
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000322115	1	42	-2.0	-105.17	381.53	7.33	-97.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCCCC#N)=C1	REAL300000322116	1	42	-2.0	-111.24	369.44	7.19	-104.05
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)=CC(C(=O)[O-])=C1F	REAL300000322117	1	42	-2.0	-113.50	384.20	7.20	-106.30
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCCCC#N)=C1	REAL300000322118	1	42	-2.0	-102.19	374.78	7.32	-94.87
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)=CC(C(=O)[O-])=C1C	REAL300000322119	1	45	-2.0	-119.11	396.16	7.72	-111.39
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000322120	0	39	-2.0	-103.26	371.12	6.67	-96.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)C(C)=C1C(=O)[O-]	REAL300000322121	1	45	-2.0	-115.62	392.76	7.95	-107.67
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)C=C1C(=O)[O-]	REAL300000322122	0	42	-2.0	-113.77	384.69	7.25	-106.52
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)=C1	REAL300000322123	0	42	-2.0	-120.22	384.40	7.24	-112.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)C=C1C(=O)[O-]	REAL300000322124	1	45	-2.0	-116.42	393.30	7.73	-108.69
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)C=C1C(=O)[O-]	REAL300000322125	0	43	-2.0	-114.35	387.50	6.76	-107.59
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)=CC=C1C(=O)[O-]	REAL300000322126	1	42	-2.0	-102.35	375.37	7.09	-95.26
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCCC#N)=C1	REAL300000322127	1	42	-2.0	-112.53	378.91	7.39	-105.14
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000322128	0	39	-2.0	-119.40	363.03	6.58	-112.82
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)C=C1C(=O)[O-]	REAL300000322129	1	42	-2.0	-107.35	384.31	7.22	-100.13
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000322130	0	38	-2.0	-111.04	356.35	4.60	-106.44
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCCCC#N)=C1	REAL300000322131	0	43	-2.0	-106.40	387.55	6.36	-100.04
N#CCCCOC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000322132	0	36	-2.0	-102.24	359.51	5.52	-96.72
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OCCCC#N)=C2)C=C(C(=O)[O-])O1	REAL300000322133	0	42	-2.0	-107.93	381.50	6.54	-101.39
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000322134	1	39	-2.0	-109.61	355.18	4.53	-105.08
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000322135	1	39	-2.0	-99.44	350.62	4.51	-94.93
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000322136	1	39	-2.0	-111.76	350.64	4.50	-107.26
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000322137	0	43	-2.0	-116.77	378.78	4.30	-112.47
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000322138	1	43	-2.0	-98.92	382.09	5.80	-93.12
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000322139	1	42	-2.0	-113.40	366.66	5.04	-108.36
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000322140	0	39	-2.0	-106.84	363.71	5.07	-101.77
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000322141	1	39	-2.0	-108.05	363.16	4.89	-103.16
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000322142	1	45	-2.0	-113.85	383.04	5.81	-108.04
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000322143	0	39	-2.0	-108.68	356.12	4.57	-104.11
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000322144	1	45	-2.0	-98.03	394.21	6.09	-91.94
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000322145	0	36	-2.0	-106.00	343.82	3.52	-102.48
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000322146	1	42	-2.0	-111.97	366.07	5.29	-106.68
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000322147	1	43	-2.0	-97.54	381.72	4.79	-92.75
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000322148	0	40	-2.0	-110.25	357.29	3.86	-106.39
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000322150	0	39	-2.0	-102.48	359.76	4.19	-98.29
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000322151	1	45	-2.0	-113.20	382.10	5.82	-107.38
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000322152	0	36	-2.0	-107.48	342.29	3.53	-103.95
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000322153	1	43	-2.0	-117.64	377.92	4.57	-113.07
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000322154	1	48	-2.0	-114.24	404.54	6.50	-107.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCOC)=C1	REAL300000322155	1	45	-2.0	-110.08	380.79	6.22	-103.86
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000322156	0	46	-2.0	-117.94	401.07	5.07	-112.87
COCCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000322157	0	42	-2.0	-114.29	385.76	4.93	-109.36
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000322157	1	41	-3.0	-187.94	379.04	5.07	-182.87
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000322158	1	46	-2.0	-116.25	394.88	6.40	-109.85
COCCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000322159	0	39	-2.0	-105.10	353.65	3.64	-101.46
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000322160	0	43	-2.0	-113.53	379.63	3.59	-109.94
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000322161	1	46	-2.0	-98.01	401.80	5.48	-92.53
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000322162	1	42	-2.0	-102.57	371.36	5.32	-97.25
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000322163	1	43	-2.0	-96.93	387.93	4.85	-92.08
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCOC)=C2)C=C1C(=O)[O-]	REAL300000322164	1	46	-2.0	-118.88	399.78	5.48	-113.40
COCCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000322165	0	39	-2.0	-108.42	359.24	4.39	-104.03
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000322166	0	39	-2.0	-96.97	363.69	5.06	-91.91
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000322167	1	39	-2.0	-98.80	355.15	4.54	-94.26
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000322168	0	36	-2.0	-101.19	342.91	3.63	-97.56
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000322169	1	39	-2.0	-102.51	357.05	4.56	-97.95
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000322170	0	42	-2.0	-110.10	376.40	5.21	-104.89
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000322171	0	39	-2.0	-99.00	356.10	4.57	-94.43
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000322172	1	39	-2.0	-96.89	363.13	4.90	-91.99
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000322173	1	42	-2.0	-104.24	380.08	5.70	-98.54
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000322174	1	39	-2.0	-101.07	361.46	4.59	-96.48
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000322175	0	41	-2.0	-96.72	378.83	5.17	-91.55
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000322176	0	40	-2.0	-110.59	360.35	2.22	-108.37
COCCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000322176	1	40	-2.0	-108.56	359.54	3.02	-105.54
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000322177	1	42	-2.0	-102.54	372.81	5.29	-97.25
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000322178	1	42	-2.0	-108.94	360.71	5.14	-103.80
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000322179	1	42	-2.0	-110.57	375.47	5.15	-105.42
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000322180	1	42	-2.0	-99.38	366.05	5.27	-94.11
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000322181	1	45	-2.0	-116.86	387.44	5.67	-111.19
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000322182	0	41	-2.0	-109.88	377.19	5.60	-104.28
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000322183	0	39	-2.0	-100.40	362.40	4.63	-95.77
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000322184	1	45	-2.0	-113.15	385.12	5.89	-107.26
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000322185	0	42	-2.0	-109.78	372.12	5.10	-104.68
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000322186	0	42	-2.0	-108.62	382.40	5.64	-102.98
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000322187	0	42	-2.0	-117.95	375.68	5.19	-112.76
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCOC)=C2)C=C1C(=O)[O-]	REAL300000322188	1	45	-2.0	-113.62	384.58	5.69	-107.93
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000322189	1	46	-2.0	-113.12	401.10	4.63	-108.49
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000322190	1	42	-2.0	-101.84	377.43	5.65	-96.19
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000322191	1	42	-2.0	-109.39	381.86	5.46	-103.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCCOC)=C2)C=C1C(=O)[O-]	REAL300000322192	0	43	-2.0	-111.91	378.77	4.71	-107.20
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000322193	1	42	-2.0	-106.70	384.38	5.57	-101.13
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000322194	1	42	-2.0	-99.56	366.65	5.05	-94.51
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000322195	1	42	-2.0	-109.21	370.60	5.32	-103.89
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000322196	0	41	-2.0	-120.48	374.39	6.36	-114.12
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000322197	0	39	-2.0	-117.18	354.26	4.53	-112.65
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000322198	1	42	-2.0	-104.83	375.58	5.18	-99.65
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000322199	0	38	-2.0	-109.60	346.86	2.63	-106.97
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000322200	0	43	-2.0	-103.62	378.84	4.30	-99.32
COCCOC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000322201	0	36	-2.0	-99.19	350.78	3.48	-95.71
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000322202	1	46	-2.0	-105.53	396.77	6.39	-99.14
COCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000322203	1	46	-2.0	-110.35	396.08	6.39	-103.96
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OCCOC)=C2)C=C(C(=O)[O-])O1	REAL300000322204	0	42	-2.0	-104.83	372.77	4.50	-100.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=CC=C1F	REAL300000322205	0	39	-2.0	-116.50	366.78	3.05	-113.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1	REAL300000322206	0	39	-2.0	-107.39	362.21	3.02	-104.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=CC=C1	REAL300000322207	0	39	-2.0	-119.04	362.25	3.01	-116.03
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC2CC2)N=C1	REAL300000322208	0	43	-2.0	-125.37	390.37	2.83	-122.54
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1	REAL300000322209	0	43	-2.0	-107.22	393.70	4.32	-102.90
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000322210	0	42	-2.0	-121.44	382.32	3.66	-117.78
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=C1	REAL300000322211	0	39	-2.0	-115.61	375.32	3.59	-112.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=CC=C1Cl	REAL300000322212	0	39	-2.0	-114.87	374.76	3.41	-111.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=C1C	REAL300000322213	0	45	-2.0	-122.70	394.64	4.34	-118.36
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=C1	REAL300000322214	0	39	-2.0	-117.28	367.73	3.08	-114.20
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1	REAL300000322215	0	45	-2.0	-106.62	405.82	4.61	-102.01
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=C1	REAL300000322216	0	36	-2.0	-113.57	355.41	2.05	-111.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC2CC2)N=C1	REAL300000322217	0	42	-2.0	-120.82	377.65	3.81	-117.01
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1	REAL300000322218	0	43	-2.0	-105.77	393.32	3.30	-102.47
CN1C=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000322219	0	40	-2.0	-117.66	368.89	2.38	-115.28
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC2CC2)N=C1	REAL300000322220	0	43	-2.0	-121.10	386.46	1.83	-119.27
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=C1	REAL300000322221	0	39	-2.0	-110.61	371.33	2.70	-107.91
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000322222	0	45	-2.0	-122.24	393.29	4.36	-117.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=CS1	REAL300000322223	0	36	-2.0	-114.87	353.90	2.06	-112.81
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000322224	0	43	-2.0	-124.89	389.53	3.10	-121.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC2CC2)N=C1	REAL300000322225	0	45	-2.0	-119.24	392.39	4.73	-114.51
CC1=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C(C(=O)[O-])O1	REAL300000322226	0	39	-2.0	-113.81	365.26	2.17	-111.64
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=C1	REAL300000322227	0	43	-2.0	-121.68	391.23	2.12	-119.56
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC2CC2)N=C1	REAL300000322228	0	42	-2.0	-111.41	382.93	3.84	-107.57
CC1=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C(C(=O)[O-])S1	REAL300000322229	0	39	-2.0	-117.06	371.92	2.91	-114.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C(Cl)=C1	REAL300000322230	0	39	-2.0	-105.06	375.27	3.59	-101.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1F	REAL300000322231	0	39	-2.0	-106.66	366.74	3.07	-103.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)S1	REAL300000322232	0	36	-2.0	-109.34	354.52	2.15	-107.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=CC(F)=C1	REAL300000322233	0	39	-2.0	-110.08	368.65	3.08	-107.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=C1F	REAL300000322234	0	42	-2.0	-118.67	388.00	3.72	-114.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C(F)=C1	REAL300000322235	0	39	-2.0	-106.83	367.68	3.10	-103.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1Cl	REAL300000322236	0	39	-2.0	-104.85	374.73	3.43	-101.42
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=C1	REAL300000322237	0	40	-2.0	-120.40	371.96	0.74	-119.66
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1	REAL300000322238	0	42	-2.0	-111.54	384.42	3.80	-107.74
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC2CC2)N=C1	REAL300000322239	0	42	-2.0	-116.18	372.32	3.64	-112.54
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000322240	0	42	-2.0	-117.82	387.08	3.67	-114.15
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC2CC2)N=C1	REAL300000322241	0	42	-2.0	-107.61	377.63	3.80	-103.81
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000322242	0	45	-2.0	-125.35	399.05	4.18	-121.17
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000322243	0	45	-2.0	-120.17	396.73	4.39	-115.78
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000322244	0	42	-2.0	-118.31	383.72	3.63	-114.68
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=C1	REAL300000322245	0	42	-2.0	-124.84	387.26	3.72	-121.12
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000322246	0	45	-2.0	-120.82	396.19	4.20	-116.62
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000322247	0	43	-2.0	-118.95	390.25	3.25	-115.70
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=CC=C1C(=O)[O-]	REAL300000322248	0	42	-2.0	-107.59	378.23	3.57	-104.02
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC2CC2)N=C1	REAL300000322249	0	42	-2.0	-118.16	382.21	3.83	-114.33
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=CC=C1	REAL300000322250	0	39	-2.0	-124.11	365.88	3.05	-121.06
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000322251	0	42	-2.0	-113.29	387.19	3.69	-109.60
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=C1	REAL300000322252	0	38	-2.0	-116.95	358.46	1.15	-115.80
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC2CC2)N=C1	REAL300000322253	0	43	-2.0	-111.60	390.42	2.83	-108.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)=C(Cl)O1	REAL300000322254	0	36	-2.0	-107.63	362.38	2.00	-105.63
CCC1=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC3CC3)N=C2)C=C(C(=O)[O-])O1	REAL300000322255	0	42	-2.0	-113.79	384.36	3.02	-110.77
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000322256	0	42	-2.0	-101.91	387.10	-0.11	-102.02
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000322257	0	35	-2.0	-117.09	335.18	1.33	-115.76
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=N1	REAL300000322258	0	43	-2.0	-119.13	390.26	2.40	-116.73
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000322259	0	35	-2.0	-108.04	330.62	1.32	-106.72
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000322260	0	35	-2.0	-119.69	330.65	1.31	-118.38
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000322261	0	39	-2.0	-126.11	358.78	1.11	-125.00
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000322262	0	39	-2.0	-107.89	362.09	2.61	-105.28
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000322263	0	38	-2.0	-122.12	350.71	1.95	-120.17
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000322264	0	35	-2.0	-116.20	343.71	1.86	-114.34
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000322265	0	35	-2.0	-115.46	343.15	1.69	-113.77
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=N1	REAL300000322266	0	41	-2.0	-123.46	363.04	2.62	-120.84
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000322267	0	35	-2.0	-117.85	336.12	1.36	-116.49
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000322268	0	41	-2.0	-107.15	374.21	2.89	-104.26
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000322269	0	32	-2.0	-114.11	323.82	0.33	-113.78
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300000322270	0	38	-2.0	-121.55	346.07	2.09	-119.46
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000322271	0	39	-2.0	-106.36	361.71	1.59	-104.77
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000322272	0	36	-2.0	-118.18	337.28	0.68	-117.50
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=N1	REAL300000322273	0	39	-2.0	-121.89	354.85	0.12	-121.77
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=N1	REAL300000322274	0	35	-2.0	-111.09	339.76	0.99	-110.10
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=N1	REAL300000322275	0	41	-2.0	-122.77	362.08	2.62	-120.15
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000322276	0	32	-2.0	-115.44	322.29	0.34	-115.10
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000322277	0	43	-2.0	-121.70	388.96	1.13	-120.57
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000322278	0	39	-2.0	-125.47	357.92	1.39	-124.08
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000322279	0	45	-2.0	-125.36	385.90	3.93	-121.43
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=N1	REAL300000322280	0	44	-2.0	-123.78	384.54	3.31	-120.47
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC)N=C1	REAL300000322281	0	41	-2.0	-120.09	360.80	3.02	-117.07
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=N1	REAL300000322282	0	42	-2.0	-125.56	381.05	1.88	-123.68
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000322283	0	37	-3.0	-194.84	359.05	1.88	-192.96
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000322284	0	42	-2.0	-125.69	374.87	3.21	-122.48
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=N1	REAL300000322285	0	35	-2.0	-114.29	333.65	0.46	-113.83
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000322286	0	41	-2.0	-124.56	372.78	1.09	-123.47
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=N1	REAL300000322287	0	39	-2.0	-122.11	359.63	0.40	-121.71
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000322288	0	43	-2.0	-108.33	384.28	1.91	-106.42
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000322289	0	35	-2.0	-112.90	348.24	1.89	-111.01
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=N1	REAL300000322290	0	42	-2.0	-106.87	381.79	2.29	-104.58
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=N1	REAL300000322291	0	38	-2.0	-112.03	351.33	2.13	-109.90
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000322292	0	39	-2.0	-105.55	367.94	1.65	-103.90
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC)N=C2)C=C1C(=O)[O-]	REAL300000322293	0	42	-2.0	-128.02	379.78	2.29	-125.73
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=N1	REAL300000322294	0	35	-2.0	-117.71	340.32	1.20	-116.51
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000322295	0	35	-2.0	-105.62	343.67	1.87	-103.75
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000322296	0	35	-2.0	-107.26	335.15	1.35	-105.91
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000322297	0	32	-2.0	-109.89	322.91	0.43	-109.46
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000322298	0	35	-2.0	-110.69	337.05	1.37	-109.32
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=N1	REAL300000322299	0	38	-2.0	-119.26	356.40	2.00	-117.26
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000322300	0	35	-2.0	-107.40	336.08	1.38	-106.02
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000322301	0	35	-2.0	-105.38	343.13	1.71	-103.67
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=N1	REAL300000322302	0	38	-2.0	-113.75	360.06	2.51	-111.24
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000322303	0	43	-2.0	-104.66	394.37	2.71	-101.95
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000322304	0	35	-2.0	-110.22	341.46	1.39	-108.83
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000322305	0	37	-2.0	-104.92	358.83	1.97	-102.95
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000322306	0	36	-2.0	-121.02	340.33	-0.97	-121.99
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000322307	0	38	-2.0	-112.13	352.81	2.09	-110.04
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000322308	0	35	-2.0	-111.63	351.35	1.83	-109.80
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000322309	0	38	-2.0	-116.68	340.71	1.93	-114.75
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000322310	0	38	-2.0	-118.45	355.48	1.95	-116.50
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000322311	0	38	-2.0	-108.29	346.05	2.08	-106.21
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000322312	0	41	-2.0	-125.82	367.45	2.47	-123.35
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000322313	0	37	-2.0	-117.63	357.20	2.40	-115.23
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000322314	0	35	-2.0	-109.37	342.40	1.43	-107.94
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000322315	0	41	-2.0	-120.78	365.12	2.68	-118.10
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=N1	REAL300000322316	0	38	-2.0	-118.98	352.12	1.91	-117.07
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=N1	REAL300000322317	0	38	-2.0	-118.01	362.40	2.44	-115.57
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=N1	REAL300000322318	0	38	-2.0	-125.34	355.65	2.00	-123.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC)N=C2)C=C1C(=O)[O-]	REAL300000322319	0	41	-2.0	-121.50	364.58	2.49	-119.01
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=N1	REAL300000322320	0	42	-2.0	-123.51	381.11	1.43	-122.08
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=N1	REAL300000322321	0	38	-2.0	-109.80	357.43	2.45	-107.35
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000322322	0	38	-2.0	-117.29	361.87	2.26	-115.03
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC)N=C2)C=C1C(=O)[O-]	REAL300000322323	0	39	-2.0	-119.47	358.64	1.53	-117.94
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=N1	REAL300000322324	0	47	-2.0	-120.46	395.77	4.18	-116.28
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000322325	0	38	-2.0	-115.63	364.38	2.37	-113.26
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000322326	0	38	-2.0	-108.13	346.66	1.84	-106.29
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000322327	0	40	-2.0	-112.50	373.91	3.50	-109.00
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=N1	REAL300000322328	0	38	-2.0	-118.88	350.60	2.10	-116.78
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000322329	0	37	-2.0	-127.89	354.36	3.16	-124.73
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000322330	0	35	-2.0	-124.61	334.28	1.34	-123.27
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000322331	0	38	-2.0	-113.81	355.59	1.98	-111.83
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000322332	0	41	-2.0	-129.69	371.68	3.44	-126.25
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000322333	0	34	-2.0	-117.57	326.86	-0.57	-118.14
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=N1	REAL300000322334	0	39	-2.0	-112.18	358.82	1.11	-111.07
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000322335	0	32	-2.0	-108.16	330.79	0.29	-107.87
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000322336	0	42	-2.0	-114.51	376.77	3.19	-111.32
CNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000322337	0	42	-2.0	-116.62	376.06	3.19	-113.43
CCC1=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC)N=C2)C=C(C(=O)[O-])O1	REAL300000322338	0	38	-2.0	-114.36	352.78	1.30	-113.06
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000322339	1	36	-2.0	-113.80	337.40	3.25	-110.55
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000322340	1	36	-2.0	-102.94	332.86	3.23	-99.71
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000322341	1	36	-2.0	-114.95	332.87	3.21	-111.74
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000322342	0	40	-2.0	-119.71	361.01	3.02	-116.69
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000322343	1	40	-2.0	-102.33	364.33	4.52	-97.81
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000322344	1	39	-2.0	-117.79	348.72	3.77	-114.02
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000322345	0	36	-2.0	-109.80	345.93	3.80	-106.00
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000322346	1	36	-2.0	-112.18	345.38	3.62	-108.56
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000322347	1	42	-2.0	-116.83	365.54	4.58	-112.25
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000322348	0	36	-2.0	-111.93	338.34	3.29	-108.64
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000322349	1	42	-2.0	-101.33	376.44	4.81	-96.52
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000322350	0	33	-2.0	-109.30	326.04	2.24	-107.06
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000322351	1	39	-2.0	-114.67	348.29	4.01	-110.66
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000322352	1	40	-2.0	-100.95	363.94	3.50	-97.45
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000322353	0	37	-2.0	-113.51	339.51	2.58	-110.93
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000322355	0	36	-2.0	-106.26	341.98	2.91	-103.35
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000322356	1	42	-2.0	-116.15	363.44	4.58	-111.57
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000322357	0	33	-2.0	-111.94	324.25	2.28	-109.66
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000322359	1	45	-2.0	-116.80	386.77	5.23	-111.57
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)OC)=C1	REAL300000322360	1	42	-2.0	-112.46	363.03	4.94	-107.52
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000322361	0	43	-2.0	-119.45	383.30	3.78	-115.67
COC(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000322362	0	39	-2.0	-110.85	363.92	3.75	-107.10
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000322362	1	38	-3.0	-192.57	361.27	3.78	-188.79
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000322363	1	43	-2.0	-112.79	377.11	5.12	-107.67
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000322364	0	36	-2.0	-108.03	335.90	2.36	-105.67
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000322365	0	40	-2.0	-118.92	361.78	2.32	-116.60
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000322367	1	39	-2.0	-105.48	353.57	4.04	-101.44
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000322368	1	40	-2.0	-100.47	370.16	3.57	-96.90
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000322369	1	43	-2.0	-123.19	382.02	4.20	-118.99
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000322370	0	36	-2.0	-111.09	342.56	3.11	-107.98
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000322371	0	36	-2.0	-100.46	345.91	3.79	-96.67
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000322372	1	36	-2.0	-102.19	337.39	3.26	-98.93
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000322373	0	33	-2.0	-104.98	325.13	2.34	-102.64
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000322374	1	36	-2.0	-105.85	339.28	3.28	-102.57
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000322375	0	39	-2.0	-113.36	358.62	3.93	-109.43
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000322376	0	36	-2.0	-102.87	338.33	3.30	-99.57
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000322377	1	36	-2.0	-100.40	345.36	3.63	-96.77
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000322378	1	39	-2.0	-107.09	362.31	4.43	-102.66
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000322379	1	36	-2.0	-103.86	343.69	3.32	-100.54
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000322380	0	38	-2.0	-100.03	361.05	3.89	-96.14
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000322381	0	37	-2.0	-113.20	342.56	0.95	-112.25
COC(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000322381	1	37	-2.0	-107.99	331.34	1.84	-106.15
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000322382	1	39	-2.0	-106.08	355.05	4.00	-102.08
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000322383	1	39	-2.0	-113.28	342.44	3.88	-109.40
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000322384	1	39	-2.0	-115.24	357.70	3.88	-111.36
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000322386	1	42	-2.0	-119.78	365.55	4.30	-115.48
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000322387	0	38	-2.0	-113.08	359.15	4.32	-108.76
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000322388	0	36	-2.0	-96.20	344.62	3.35	-92.85
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000322390	0	39	-2.0	-114.59	357.77	3.95	-110.64
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000322391	0	39	-2.0	-111.67	364.63	4.36	-107.31
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000322392	0	39	-2.0	-122.74	357.90	3.92	-118.82
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000322393	1	42	-2.0	-118.59	367.03	4.44	-114.15
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000322394	1	43	-2.0	-117.12	383.34	3.36	-113.76
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000322395	1	39	-2.0	-106.12	358.93	4.41	-101.71
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000322396	1	39	-2.0	-114.12	364.08	4.19	-109.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000322397	0	40	-2.0	-116.05	360.99	3.44	-112.61
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000322398	1	39	-2.0	-109.69	362.80	4.18	-105.51
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000322399	1	39	-2.0	-103.14	348.71	3.78	-99.36
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000322400	1	39	-2.0	-112.15	352.40	4.07	-108.08
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000322401	0	38	-2.0	-125.30	356.58	5.08	-120.22
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000322402	0	36	-2.0	-121.94	336.52	3.26	-118.68
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000322403	1	39	-2.0	-107.90	354.11	3.80	-104.10
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000322404	0	35	-2.0	-111.70	329.85	1.28	-110.42
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000322405	0	40	-2.0	-107.14	361.05	3.03	-104.11
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000322406	0	33	-2.0	-102.52	333.02	2.20	-100.32
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000322407	1	43	-2.0	-108.75	378.99	5.11	-103.64
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000322408	1	43	-2.0	-114.07	378.30	5.10	-108.97
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000322409	0	39	-2.0	-108.94	354.72	3.23	-105.71
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000322413	0	46	-2.0	-114.27	398.72	5.06	-109.21
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C)=C1	REAL300000322416	0	42	-2.0	-104.38	383.65	5.82	-98.56
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1	REAL300000322419	0	42	-2.0	-106.06	376.05	5.33	-100.73
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1	REAL300000322421	0	39	-2.0	-102.93	363.77	4.28	-98.65
COCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000322424	1	43	-2.0	-106.98	377.23	4.62	-102.36
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=C1	REAL300000322426	0	42	-2.0	-99.23	379.69	4.95	-94.28
COCCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1	REAL300000322428	1	39	-2.0	-104.66	362.23	4.29	-100.37
COCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000322431	0	42	-2.0	-102.79	373.59	4.40	-98.39
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000322432	0	46	-2.0	-109.64	399.50	4.35	-105.29
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=C1	REAL300000322433	1	45	-2.0	-100.29	391.29	6.08	-94.21
COCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300000322434	1	42	-2.0	-106.06	380.27	5.15	-100.91
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=C1	REAL300000322435	1	42	-2.0	-93.82	383.64	5.82	-88.00
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1	REAL300000322437	0	39	-2.0	-97.99	362.84	4.39	-93.60
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000322438	1	42	-2.0	-99.83	377.00	5.32	-94.51
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C)=C1	REAL300000322439	0	45	-2.0	-107.50	396.34	5.97	-101.53
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300000322440	0	42	-2.0	-95.60	376.03	5.33	-90.27
COCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1	REAL300000322442	0	43	-2.0	-108.37	374.42	3.84	-104.53
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1	REAL300000322442	1	43	-2.0	-108.84	380.30	2.97	-105.87
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C)=C1	REAL300000322449	0	45	-2.0	-108.29	395.89	5.96	-102.33
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000322450	0	45	-2.0	-113.49	395.62	5.95	-107.54
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCOC)C=C2C)C=C1C(=O)[O-]	REAL300000322452	1	46	-2.0	-108.20	398.60	5.48	-102.72
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000322455	0	42	-2.0	-112.71	374.22	5.29	-107.42
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1	REAL300000322457	0	41	-2.0	-106.55	366.79	3.38	-103.17
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300000322458	1	46	-2.0	-100.45	398.77	5.07	-95.38
COCCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000322459	0	39	-2.0	-96.58	370.69	4.24	-92.34
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCCOC)C=C2C)C=C(C(=O)[O-])O1	REAL300000322460	0	45	-2.0	-102.64	392.71	5.25	-97.39
CC(C)NC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000322464	0	40	-2.0	-118.32	377.16	3.56	-114.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)C=C1	REAL300000322465	1	34	-2.0	-98.94	349.36	5.41	-93.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)=C1	REAL300000322466	1	34	-2.0	-110.78	349.40	5.39	-105.39
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)=C1	REAL300000322467	0	31	-2.0	-105.39	342.57	4.42	-100.97
CN1C=C(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)C=C1C(=O)[O-]	REAL300000322468	0	35	-2.0	-109.24	356.04	4.76	-104.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)=CS1	REAL300000322469	0	31	-2.0	-108.07	341.04	4.44	-103.63
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)C=C(C(=O)[O-])O1	REAL300000322470	0	34	-2.0	-104.76	352.42	4.54	-100.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)S1	REAL300000322471	0	31	-2.0	-100.92	341.65	4.53	-96.39
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)=C1	REAL300000322472	0	33	-2.0	-109.82	345.60	3.52	-106.30
NS(=O)(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000322474	1	39	-2.0	-116.40	357.29	1.10	-115.30
NS(=O)(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000322475	0	38	-2.0	-113.77	354.28	-0.85	-114.62
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000322476	0	45	-2.0	-93.66	394.64	4.52	-89.14
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000322477	0	38	-2.0	-110.88	342.70	5.97	-104.91
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000322478	0	46	-2.0	-111.55	397.79	7.01	-104.54
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000322479	0	38	-2.0	-100.71	338.16	5.95	-94.76
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000322480	0	38	-2.0	-113.75	338.17	5.94	-107.81
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000322481	0	42	-2.0	-119.10	366.31	5.72	-113.38
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000322482	0	42	-2.0	-99.84	369.63	7.22	-92.62
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000322483	0	41	-2.0	-115.12	354.19	6.46	-108.66
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000322484	0	38	-2.0	-108.78	351.24	6.51	-102.27
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000322485	0	38	-2.0	-109.46	350.68	6.33	-103.13
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000322486	0	44	-2.0	-116.38	370.84	7.27	-109.11
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000322487	0	38	-2.0	-110.93	343.64	5.99	-104.94
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000322488	0	44	-2.0	-99.20	381.74	7.52	-91.68
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000322489	0	35	-2.0	-107.87	331.36	4.95	-102.92
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000322490	0	41	-2.0	-114.01	353.60	6.71	-107.30
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000322491	0	42	-2.0	-98.59	369.25	6.21	-92.38
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000322492	0	39	-2.0	-112.11	344.82	5.28	-106.83
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000322493	1	42	-2.0	-114.58	361.95	4.78	-109.80
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000322494	0	38	-2.0	-103.94	347.28	5.61	-98.33
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000322495	0	44	-2.0	-116.73	373.62	7.35	-109.38
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000322496	0	35	-2.0	-109.24	329.82	4.97	-104.27
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000322497	0	46	-2.0	-114.24	396.49	5.75	-108.49
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000322498	0	42	-2.0	-119.64	365.46	6.00	-113.64
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000322499	0	48	-2.0	-118.47	393.40	8.57	-109.90
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000322500	0	47	-2.0	-116.41	392.07	7.95	-108.46
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000322501	0	44	-2.0	-111.73	368.29	7.66	-104.07
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000322502	0	45	-2.0	-118.88	388.60	6.49	-112.39
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000322503	0	40	-3.0	-190.76	366.57	6.50	-184.26
CCOC1=CC(C)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000322503	1	41	-2.0	-109.87	366.61	6.45	-103.42
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000322504	0	45	-2.0	-118.78	382.41	7.83	-110.95
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000322505	0	38	-2.0	-106.92	341.18	5.08	-101.84
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000322506	0	44	-2.0	-118.74	380.34	5.71	-113.03
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000322507	0	42	-2.0	-115.24	367.08	5.02	-110.22
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000322508	0	46	-2.0	-99.43	391.08	6.54	-92.89
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000322509	0	38	-2.0	-105.16	355.76	6.54	-98.62
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000322510	0	42	-2.0	-96.93	385.27	6.76	-90.17
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000322511	0	45	-2.0	-99.12	389.32	6.92	-92.20
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000322512	0	41	-2.0	-104.48	358.88	6.74	-97.74
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000322513	0	42	-2.0	-97.77	375.46	6.29	-91.48
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OCC)C=C1C(=O)[O-]	REAL300000322514	0	45	-2.0	-120.30	387.30	6.91	-113.39
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000322515	0	38	-2.0	-110.24	347.86	5.82	-104.42
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000322516	0	38	-2.0	-97.97	351.23	6.51	-91.46
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000322517	0	38	-2.0	-99.99	342.70	5.98	-94.01
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000322518	0	35	-2.0	-102.60	330.43	5.06	-97.54
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000322519	0	38	-2.0	-104.39	344.59	6.00	-98.39
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000322520	0	41	-2.0	-112.62	363.93	6.63	-105.99
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000322521	0	42	-2.0	-102.64	378.47	6.57	-96.07
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000322522	0	38	-2.0	-100.38	343.62	6.01	-94.37
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000322523	0	38	-2.0	-98.14	350.67	6.33	-91.81
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000322524	0	41	-2.0	-106.14	367.61	7.13	-99.01
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000322525	0	46	-2.0	-96.36	401.91	7.35	-89.01
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000322526	0	38	-2.0	-102.20	348.99	6.03	-96.17
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000322527	0	40	-2.0	-98.34	366.36	6.61	-91.73
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000322528	0	39	-2.0	-112.67	347.88	3.63	-109.04
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000322529	0	41	-2.0	-104.37	360.34	6.71	-97.66
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000322530	0	38	-2.0	-103.74	358.87	6.47	-97.27
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000322531	0	41	-2.0	-109.97	348.21	6.57	-103.40
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000322532	0	41	-2.0	-112.36	363.00	6.59	-105.77
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000322533	0	41	-2.0	-100.59	353.58	6.71	-93.88
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000322534	0	44	-2.0	-117.27	371.05	7.00	-110.27
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000322535	0	40	-2.0	-111.36	364.73	7.03	-104.33
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000322536	0	38	-2.0	-102.53	349.90	6.06	-96.47
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000322537	0	44	-2.0	-114.50	371.70	7.34	-107.16
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000322538	0	41	-2.0	-113.37	363.48	6.62	-106.75
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000322539	0	41	-2.0	-110.72	369.93	7.07	-103.65
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000322540	0	41	-2.0	-119.22	363.21	6.62	-112.60
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000322541	0	44	-2.0	-115.94	372.14	7.11	-108.83
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000322542	0	45	-2.0	-116.54	388.63	6.07	-110.47
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000322543	0	41	-2.0	-103.06	364.43	7.12	-95.94
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000322544	0	41	-2.0	-111.39	369.39	6.90	-104.49
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000322545	0	42	-2.0	-113.42	366.19	6.16	-107.26
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000322546	1	50	-2.0	-114.45	403.32	8.81	-105.64
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000322547	0	41	-2.0	-107.19	368.03	6.90	-100.29
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000322548	0	47	-2.0	-109.45	387.61	8.06	-101.39
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000322549	0	42	-2.0	-114.31	378.49	6.58	-107.73
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000322550	0	41	-2.0	-102.48	358.24	6.57	-95.91
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000322551	0	43	-2.0	-105.03	381.42	8.13	-96.90
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000322552	0	41	-2.0	-111.40	357.71	6.77	-104.63
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000322553	0	40	-2.0	-121.18	361.91	7.78	-113.40
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000322554	0	38	-2.0	-118.32	341.83	5.96	-112.36
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000322555	0	41	-2.0	-105.39	359.33	6.51	-98.88
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000322556	0	44	-2.0	-122.48	379.21	8.06	-114.42
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000322557	0	37	-2.0	-111.69	334.38	4.05	-107.64
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000322558	0	42	-2.0	-105.11	366.37	5.72	-99.39
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000322559	0	35	-2.0	-100.87	338.28	4.90	-95.97
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000322560	0	45	-2.0	-107.34	384.30	7.82	-99.52
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000322561	0	45	-2.0	-110.86	382.25	7.81	-103.05
CCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000322562	0	41	-2.0	-106.51	360.28	5.92	-100.59
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000322563	0	41	-2.0	-111.03	364.20	6.77	-104.26
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000322564	0	41	-2.0	-100.81	359.65	6.75	-94.06
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000322565	0	41	-2.0	-113.98	359.67	6.74	-107.24
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000322566	0	45	-2.0	-119.25	387.81	6.54	-112.71
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000322567	0	45	-2.0	-99.86	391.12	8.03	-91.83
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000322568	0	44	-2.0	-115.37	375.70	7.27	-108.10
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000322569	0	41	-2.0	-108.90	372.74	7.32	-101.58
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000322570	0	41	-2.0	-109.58	372.17	7.13	-102.45
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000322571	0	47	-2.0	-116.09	392.77	8.07	-108.02
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000322572	0	41	-2.0	-111.13	365.15	6.79	-104.34
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000322573	0	47	-2.0	-99.24	403.24	8.32	-90.92
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000322574	0	38	-2.0	-108.06	352.85	5.76	-102.30
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000322575	0	44	-2.0	-114.11	375.11	7.52	-106.59
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000322576	0	45	-2.0	-98.62	390.74	7.02	-91.60
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000322577	0	42	-2.0	-112.27	366.31	6.08	-106.19
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000322578	1	45	-2.0	-114.27	383.87	5.55	-108.72
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000322579	0	41	-2.0	-104.04	368.80	6.42	-97.62
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000322580	0	47	-2.0	-115.55	391.12	8.07	-107.48
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000322581	0	38	-2.0	-109.47	351.32	5.77	-103.70
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000322582	0	45	-2.0	-119.82	386.95	6.81	-113.01
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000322583	0	50	-2.0	-116.47	413.57	8.75	-107.72
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000322584	0	47	-2.0	-111.81	389.79	8.47	-103.34
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000322585	0	48	-2.0	-120.32	410.10	7.29	-113.03
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000322586	0	43	-3.0	-191.34	388.07	7.30	-184.04
CCCOC1=CC(C)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000322586	1	44	-2.0	-109.74	388.08	7.25	-102.49
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000322587	0	48	-2.0	-118.89	403.92	8.63	-110.26
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000322588	0	41	-2.0	-107.00	362.68	5.87	-101.13
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000322589	0	45	-2.0	-115.64	388.58	5.82	-109.82
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000322590	0	48	-2.0	-99.14	410.82	7.72	-91.42
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000322591	0	44	-2.0	-104.60	380.38	7.54	-97.06
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000322592	0	45	-2.0	-97.83	396.96	7.09	-90.74
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000322593	0	48	-2.0	-120.45	408.80	7.71	-112.74
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000322594	0	41	-2.0	-110.44	368.29	6.63	-103.81
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000322595	0	41	-2.0	-98.08	372.72	7.31	-90.77
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000322596	0	41	-2.0	-100.10	364.18	6.78	-93.32
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000322597	0	38	-2.0	-102.70	351.92	5.86	-96.84
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000322598	0	41	-2.0	-104.52	366.08	6.80	-97.72
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000322599	0	44	-2.0	-112.75	385.41	7.43	-105.32
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000322600	0	41	-2.0	-100.46	365.13	6.81	-93.65
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000322601	0	41	-2.0	-98.33	372.15	7.14	-91.19
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000322602	0	44	-2.0	-106.26	389.11	7.93	-98.33
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000322603	0	41	-2.0	-102.38	370.49	6.83	-95.55
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000322604	0	43	-2.0	-98.51	387.86	7.41	-91.10
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000322605	0	42	-2.0	-112.78	369.38	4.43	-108.35
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000322606	0	44	-2.0	-104.30	381.84	7.51	-96.79
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000322607	0	44	-2.0	-110.24	369.71	7.37	-102.87
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000322608	0	44	-2.0	-112.63	384.50	7.39	-105.24
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000322609	0	44	-2.0	-100.69	375.08	7.51	-93.18
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000322610	0	47	-2.0	-117.47	392.54	7.81	-109.66
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000322611	0	43	-2.0	-111.48	386.23	7.84	-103.64
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000322612	0	41	-2.0	-102.65	371.40	6.86	-95.79
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000322613	0	47	-2.0	-114.54	394.15	8.13	-106.41
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000322614	0	44	-2.0	-112.43	381.15	7.34	-105.09
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000322615	0	44	-2.0	-110.93	391.45	7.88	-103.05
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000322616	0	44	-2.0	-119.58	384.71	7.42	-112.16
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000322617	0	47	-2.0	-116.11	393.63	7.91	-108.20
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000322618	0	48	-2.0	-116.85	410.13	6.87	-109.98
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000322619	0	44	-2.0	-103.31	385.93	7.92	-95.39
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000322620	0	44	-2.0	-111.58	390.89	7.70	-103.88
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000322621	0	45	-2.0	-113.64	387.69	6.95	-106.69
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000322622	0	44	-2.0	-107.36	389.53	7.70	-99.66
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000322623	0	44	-2.0	-102.67	379.72	7.38	-95.29
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000322624	0	44	-2.0	-111.10	379.62	7.55	-103.55
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000322625	0	43	-2.0	-121.49	383.40	8.59	-112.90
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000322626	0	41	-2.0	-118.68	363.33	6.76	-111.92
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000322627	0	44	-2.0	-105.54	380.83	7.31	-98.23
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000322628	0	47	-2.0	-122.68	400.71	8.86	-113.82
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000322629	0	40	-2.0	-111.91	355.88	4.85	-107.06
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000322630	0	45	-2.0	-105.18	387.87	6.53	-98.65
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000322631	0	38	-2.0	-101.00	359.78	5.70	-95.30
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000322632	0	48	-2.0	-107.32	405.79	8.62	-98.70
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000322633	0	48	-2.0	-111.10	403.75	8.61	-102.49
CCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000322634	0	44	-2.0	-106.59	381.80	6.72	-99.87
CCN1C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CC1=O	REAL300000322660	0	37	-2.0	-110.43	336.78	4.88	-105.55
CCN1C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC1=O	REAL300000322687	0	35	-2.0	-103.04	316.43	2.89	-100.15
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CC1=O	REAL300000322695	1	34	-2.0	-91.09	324.31	4.83	-86.26
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=CC1=O	REAL300000322707	0	34	-2.0	-90.21	338.14	5.28	-84.93
CCN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC1=O	REAL300000322719	1	31	-2.0	-90.70	312.72	3.68	-87.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC3=C2CCC3)C=C1	REAL300000322723	1	42	-2.0	-107.63	365.09	7.14	-100.49
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC3=C2CCC3)=C1	REAL300000322724	0	42	-2.0	-121.41	365.10	7.13	-114.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC3=C2CCC3)C=C1C(=O)[O-]	REAL300000322725	1	45	-2.0	-122.79	381.12	7.65	-115.14
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC3=C2CCC3)=C1	REAL300000322726	0	39	-2.0	-115.45	358.27	6.14	-109.31
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC2=C1CCC2	REAL300000322727	1	45	-2.0	-120.68	380.51	7.91	-112.77
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC3=C2CCC3)C=C1C(=O)[O-]	REAL300000322728	0	43	-2.0	-119.42	371.75	6.48	-112.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC3=C2CCC3)=CS1	REAL300000322729	0	39	-2.0	-116.77	356.75	6.16	-110.61
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC3=C2CCC3)C=C(C(=O)[O-])O1	REAL300000322730	0	42	-2.0	-113.60	368.10	6.27	-107.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC3=C2CCC3)S1	REAL300000322731	0	39	-2.0	-109.75	357.34	6.26	-103.49
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC3=C2CCC3)=C1	REAL300000322732	0	43	-2.0	-119.00	374.80	4.84	-114.16
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC3=C2CCC3)C=C1	REAL300000322733	0	45	-2.0	-111.08	387.28	7.91	-103.17
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC2=C1CCC2	REAL300000322734	1	45	-2.0	-117.12	375.11	7.77	-109.35
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC2=C1CCC2	REAL300000322735	1	45	-2.0	-106.86	380.49	7.90	-98.96
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC3=C2CCC3)=CC=C1C(=O)[O-]	REAL300000322736	1	45	-2.0	-107.99	381.11	7.68	-100.31
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC3=C2CCC3)=C1	REAL300000322737	0	41	-2.0	-119.79	361.29	5.24	-114.55
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=CC=C1F	REAL300000322738	0	38	-2.0	-113.52	356.91	6.15	-107.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C=C1	REAL300000322739	0	38	-2.0	-103.71	352.37	6.13	-97.58
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300000322740	0	38	-2.0	-115.96	352.38	6.12	-109.84
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C=C1	REAL300000322741	0	42	-2.0	-102.74	383.84	7.42	-95.32
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000322742	0	41	-2.0	-117.08	368.40	6.67	-110.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=C1C	REAL300000322743	0	44	-2.0	-116.54	384.78	7.42	-109.12
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300000322744	0	38	-2.0	-111.70	357.86	6.18	-105.52
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C=C1	REAL300000322745	0	44	-2.0	-101.68	395.94	7.71	-93.97
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300000322746	0	35	-2.0	-110.25	345.56	5.15	-105.10
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC2=CC=CC=C2C=C1	REAL300000322747	0	41	-2.0	-114.66	367.81	6.89	-107.77
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000322748	0	39	-2.0	-114.78	359.02	5.48	-109.30
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300000322749	0	38	-2.0	-106.47	361.50	5.81	-100.66
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000322750	0	44	-2.0	-115.84	383.84	7.43	-108.41
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=CS1	REAL300000322751	0	35	-2.0	-111.78	344.03	5.15	-106.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC2=CC=CC=C2C=C1	REAL300000322752	0	44	-2.0	-112.36	382.53	7.64	-104.72
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C=C(C(=O)[O-])O1	REAL300000322753	0	38	-2.0	-108.55	355.39	5.27	-103.28
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C=C(C(=O)[O-])S1	REAL300000322754	0	38	-2.0	-111.44	360.98	6.02	-105.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C=C1F	REAL300000322755	0	38	-2.0	-103.30	356.89	6.16	-97.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)S1	REAL300000322756	0	35	-2.0	-105.22	344.65	5.25	-99.97
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300000322757	0	38	-2.0	-106.91	358.78	6.19	-100.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C(F)=C1	REAL300000322758	0	38	-2.0	-103.29	357.86	6.19	-97.10
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300000322759	0	39	-2.0	-112.69	362.09	3.85	-108.84
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300000322759	1	38	-3.0	-214.91	358.53	4.72	-210.19
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C=C1	REAL300000322760	0	41	-2.0	-105.75	374.55	6.91	-98.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC2=CC=CC=C2C=C1	REAL300000322761	0	41	-2.0	-113.91	362.45	6.75	-107.16
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC2=CC=CC=C2C=C1	REAL300000322762	0	41	-2.0	-103.45	367.79	6.88	-96.57
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=CC(C(=O)[O-])=C1C	REAL300000322763	0	44	-2.0	-120.60	389.18	7.29	-113.31
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C(C)=C1C(=O)[O-]	REAL300000322764	0	44	-2.0	-118.15	386.86	7.50	-110.65
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000322765	0	44	-2.0	-117.83	386.32	7.31	-110.52
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000322766	0	42	-2.0	-116.09	380.41	6.34	-109.75
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=CC=C1C(=O)[O-]	REAL300000322767	0	41	-2.0	-103.86	368.38	6.67	-97.19
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=CC=C1	REAL300000322768	0	38	-2.0	-121.99	356.00	6.15	-115.84
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300000322769	0	37	-2.0	-113.55	348.60	4.25	-109.30
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)=C(Cl)O1	REAL300000322770	0	35	-2.0	-103.09	352.53	5.10	-97.99
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3C=C2)C=C(C(=O)[O-])O1	REAL300000322771	0	41	-2.0	-107.96	374.51	6.05	-101.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)=CC=C1F	REAL300000322772	0	35	-2.0	-100.66	343.52	7.07	-93.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)C=C1	REAL300000322773	0	35	-2.0	-92.17	338.98	7.05	-85.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)=C1	REAL300000322774	0	35	-2.0	-105.33	338.98	7.04	-98.29
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000322775	0	38	-2.0	-104.08	354.97	7.58	-96.50
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)=C1	REAL300000322776	0	35	-2.0	-100.49	344.51	7.09	-93.40
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)=C1	REAL300000322777	0	32	-2.0	-97.91	332.23	6.05	-91.86
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N1C=CC=N1	REAL300000322778	0	38	-2.0	-103.13	354.47	7.81	-95.32
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000322779	0	36	-2.0	-103.33	345.63	6.39	-96.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)=C1	REAL300000322780	0	35	-2.0	-95.43	348.14	6.71	-88.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)=CS1	REAL300000322781	0	32	-2.0	-101.06	330.63	6.07	-94.99
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)C=C(C(=O)[O-])O1	REAL300000322782	0	35	-2.0	-97.14	342.02	6.18	-90.96
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)C=C(C(=O)[O-])S1	REAL300000322783	0	35	-2.0	-100.05	348.72	6.91	-93.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)C=C1F	REAL300000322784	0	35	-2.0	-92.13	343.51	7.08	-85.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)S1	REAL300000322785	0	32	-2.0	-93.41	331.24	6.17	-87.24
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)=C1	REAL300000322786	0	35	-2.0	-94.48	345.38	7.11	-87.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)C(F)=C1	REAL300000322787	0	35	-2.0	-91.31	344.44	7.11	-84.20
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)=C1	REAL300000322788	0	36	-2.0	-101.94	348.73	4.74	-97.20
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)C=C1	REAL300000322789	0	38	-2.0	-95.23	361.17	7.83	-87.40
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N1C=CC=N1	REAL300000322790	0	38	-2.0	-101.39	349.26	7.66	-93.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1N1C=CC=N1	REAL300000322791	1	38	-2.0	-91.76	354.42	7.81	-83.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000322792	0	39	-2.0	-102.71	367.00	7.25	-95.46
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)=CC=C1C(=O)[O-]	REAL300000322793	0	38	-2.0	-92.30	354.97	7.59	-84.71
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)=C1F	REAL300000322794	0	35	-2.0	-109.44	342.67	7.05	-102.39
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)=C1	REAL300000322795	0	34	-2.0	-101.17	335.96	5.09	-96.08
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2N2C=CC=N2)C=C(C(=O)[O-])O1	REAL300000322796	0	38	-2.0	-96.42	361.15	7.02	-89.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCCCC3)=C2)C=C1	REAL300000322805	1	45	-2.0	-101.06	381.79	6.98	-94.08
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCCCC3)=C2)=C1	REAL300000322806	1	45	-2.0	-114.17	381.80	6.97	-107.20
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCCCC3)=C2)=C1	REAL300000322807	0	42	-2.0	-108.23	374.98	5.99	-102.24
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCCCC3)=C2)C=C1C(=O)[O-]	REAL300000322808	0	46	-2.0	-112.50	388.44	6.33	-106.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCCCC3)=C2)=CS1	REAL300000322809	0	42	-2.0	-100.36	372.87	5.98	-94.38
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCCCC3)=C2)C=C(C(=O)[O-])O1	REAL300000322810	0	45	-2.0	-107.66	383.01	6.05	-101.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCCCC3)=C2)S1	REAL300000322811	0	42	-2.0	-103.35	372.27	6.04	-97.31
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCCCC3)=C2)=C1	REAL300000322812	0	44	-2.0	-109.50	378.78	5.02	-104.48
CN(C1=CC=C(F)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000322845	0	34	-2.0	-109.78	324.37	6.95	-102.83
CN(C1=CC=C(F)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000322876	0	32	-2.0	-106.75	289.60	5.08	-101.67
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000322918	0	47	-2.0	-91.22	405.49	4.05	-87.17
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000322919	0	40	-2.0	-107.36	353.09	5.65	-101.71
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C(C)C)N=C1C	REAL300000322920	0	48	-2.0	-107.36	408.37	6.71	-100.65
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000322921	0	40	-2.0	-97.75	348.80	5.65	-92.10
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000322922	0	40	-2.0	-109.53	348.82	5.64	-103.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C(C)C)N=C1C	REAL300000322923	0	44	-2.0	-115.00	376.89	5.42	-109.58
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000322924	0	44	-2.0	-97.21	380.48	6.76	-90.45
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000322925	0	43	-2.0	-110.99	363.52	6.21	-104.78
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000322926	0	40	-2.0	-105.30	361.25	6.22	-99.08
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000322927	0	40	-2.0	-105.69	361.07	6.01	-99.68
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000322928	0	46	-2.0	-113.65	380.81	6.97	-106.68
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000322929	0	40	-2.0	-107.91	354.31	5.53	-102.38
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000322930	0	46	-2.0	-96.48	392.59	7.05	-89.43
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000322931	0	37	-2.0	-104.54	341.62	4.68	-99.86
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000322932	0	43	-2.0	-110.54	364.06	6.43	-104.11
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000322933	0	44	-2.0	-95.88	380.09	5.75	-90.13
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000322934	0	41	-2.0	-108.37	355.46	5.00	-103.37
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000322935	0	44	-2.0	-111.30	372.75	4.44	-106.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)N(C(C)C)N=C2C)=C1	REAL300000322936	0	40	-2.0	-100.75	357.87	5.33	-95.42
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000322937	0	46	-2.0	-112.11	379.34	7.01	-105.10
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000322938	0	37	-2.0	-105.41	340.46	4.68	-100.73
COC1=CC(S(=O)(=O)[N-]C2=C(C)N(C(C)C)N=C2C)=CC(C(=O)[O-])=C1OC	REAL300000322939	0	48	-2.0	-111.26	407.28	5.28	-105.98
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000322940	0	44	-2.0	-115.45	376.11	5.71	-109.74
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000322941	0	50	-2.0	-114.36	403.88	8.28	-106.08
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000322942	0	49	-2.0	-112.46	401.75	7.69	-104.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C(C)C)N=C1C	REAL300000322943	0	46	-2.0	-108.40	378.54	7.38	-101.02
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C(C)C)N=C1C	REAL300000322944	0	47	-2.0	-114.45	399.18	6.18	-108.27
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000322945	0	42	-3.0	-185.59	376.97	6.18	-179.41
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000322946	0	47	-2.0	-116.03	391.43	7.51	-108.52
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000322947	0	40	-2.0	-104.13	353.59	4.75	-99.38
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000322948	0	46	-2.0	-115.09	391.13	5.24	-109.85
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000322949	0	44	-2.0	-110.12	377.38	4.75	-105.37
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000322950	0	48	-2.0	-97.16	402.19	6.23	-90.93
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000322951	0	40	-2.0	-102.48	366.24	6.25	-96.23
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000322952	0	47	-2.0	-96.08	399.98	6.63	-89.45
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000322953	0	43	-2.0	-101.51	369.34	6.47	-95.04
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000322954	0	44	-2.0	-95.32	385.36	5.96	-89.36
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000322955	0	47	-2.0	-116.72	397.69	6.59	-110.13
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000322956	0	40	-2.0	-107.11	358.33	5.55	-101.56
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000322957	0	40	-2.0	-95.19	361.69	6.22	-88.97
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000322958	0	40	-2.0	-97.41	352.58	5.66	-91.75
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000322959	0	37	-2.0	-99.51	341.01	4.78	-94.73
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000322960	0	40	-2.0	-101.07	355.36	5.54	-95.53
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000322961	0	43	-2.0	-108.59	374.52	6.35	-102.24
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000322962	0	40	-2.0	-96.94	354.20	5.73	-91.21
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000322963	0	40	-2.0	-95.47	360.55	6.03	-89.44
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000322964	0	43	-2.0	-103.16	378.07	6.86	-96.30
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000322965	0	48	-2.0	-93.47	412.56	7.05	-86.42
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000322966	0	40	-2.0	-99.74	359.77	5.56	-94.18
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000322967	0	42	-2.0	-95.57	377.14	6.14	-89.43
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000322968	0	41	-2.0	-109.41	358.47	3.33	-106.08
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000322969	0	43	-2.0	-101.84	371.19	6.25	-95.59
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000322970	0	40	-2.0	-101.30	369.66	6.00	-95.30
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000322971	0	43	-2.0	-105.44	358.15	6.29	-99.15
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000322972	0	43	-2.0	-109.68	373.79	6.12	-103.56
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000322973	0	43	-2.0	-97.73	364.04	6.43	-91.30
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000322974	0	46	-2.0	-112.60	380.80	6.71	-105.89
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000322975	0	42	-2.0	-108.50	375.42	6.73	-101.77
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000322976	0	40	-2.0	-99.05	360.17	5.78	-93.27
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000322977	0	46	-2.0	-109.93	381.55	7.06	-102.87
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000322978	0	43	-2.0	-109.41	373.50	6.36	-103.05
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(Cl)C(C)=CC(C(=O)[O-])=C1	REAL300000322979	0	43	-2.0	-107.45	380.38	6.78	-100.67
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000322980	0	43	-2.0	-113.74	373.45	6.35	-107.39
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000322981	0	46	-2.0	-111.88	382.71	6.85	-105.03
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C(C)C)N=C2C)C=C1CC(=O)[O-]	REAL300000322982	0	47	-2.0	-111.28	399.30	5.77	-105.51
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000322983	0	43	-2.0	-99.26	374.54	6.84	-92.42
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C(C)=C1	REAL300000322984	0	43	-2.0	-108.39	380.18	6.43	-101.96
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(C(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000322985	0	44	-2.0	-109.96	376.76	5.85	-104.11
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000322986	0	52	-2.0	-109.42	412.88	8.54	-100.88
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000322987	0	43	-2.0	-103.31	378.16	6.63	-96.68
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000322988	0	49	-2.0	-106.02	395.30	7.72	-98.30
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000322989	0	43	-2.0	-99.41	367.85	6.32	-93.09
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000322990	0	45	-2.0	-100.68	385.64	7.68	-93.00
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000322991	0	43	-2.0	-108.44	368.50	6.44	-102.00
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000322992	0	42	-2.0	-116.35	372.39	7.46	-108.89
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000322993	0	40	-2.0	-113.59	352.39	5.66	-107.93
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000322994	0	43	-2.0	-101.59	369.48	6.23	-95.36
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000322995	0	46	-2.0	-117.94	389.24	7.74	-110.20
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000322996	0	39	-2.0	-107.20	344.62	3.78	-103.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)N(C(C)C)N=C1C	REAL300000322997	0	44	-2.0	-101.55	376.95	5.43	-96.12
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000322998	0	37	-2.0	-98.39	348.70	4.61	-93.78
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000322999	0	47	-2.0	-104.63	395.09	7.35	-97.28
CC1=NN(C(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000323000	0	47	-2.0	-106.43	392.65	7.49	-98.94
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(C(C)C)N=C2C)C=C(C(=O)[O-])O1	REAL300000323001	0	43	-2.0	-104.14	370.68	5.61	-98.53
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000323002	0	36	-2.0	-113.62	341.08	3.11	-110.51
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(O)=C1	REAL300000323003	0	36	-2.0	-104.21	336.52	3.09	-101.12
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000323004	0	36	-2.0	-116.82	336.55	3.08	-113.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C)C=C1O	REAL300000323005	0	40	-2.0	-120.41	364.69	2.89	-117.52
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(O)=C1	REAL300000323006	0	40	-2.0	-103.24	368.00	4.38	-98.86
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000323007	0	39	-2.0	-117.23	352.57	3.61	-113.62
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(O)=C1	REAL300000323008	0	36	-2.0	-110.83	349.62	3.64	-107.19
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(O)=C1	REAL300000323009	0	36	-2.0	-111.95	349.05	3.47	-108.48
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(O)=C1	REAL300000323010	0	42	-2.0	-117.70	369.22	4.35	-113.35
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(O)=C1	REAL300000323011	0	36	-2.0	-112.44	342.02	3.14	-109.30
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(O)=C1	REAL300000323012	0	42	-2.0	-102.24	380.11	4.67	-97.57
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(O)=C1	REAL300000323013	0	33	-2.0	-110.99	329.73	2.10	-108.89
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(O)=C1	REAL300000323014	0	39	-2.0	-115.63	351.98	3.86	-111.77
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(O)=C1	REAL300000323015	0	40	-2.0	-102.11	367.61	3.37	-98.74
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000323016	0	37	-2.0	-115.47	343.18	2.44	-113.03
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(O)=C1	REAL300000323017	0	40	-2.0	-116.38	360.75	1.88	-114.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C=C2O)=C1	REAL300000323018	0	36	-2.0	-106.71	345.66	2.77	-103.94
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(O)=C1	REAL300000323019	0	42	-2.0	-117.11	367.61	4.35	-112.76
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(O)=C1	REAL300000323020	0	33	-2.0	-112.56	328.19	2.12	-110.44
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C=C2O)C=C1C(=O)[O-]	REAL300000323021	0	40	-2.0	-122.03	363.82	3.15	-118.88
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(O)=C1	REAL300000323022	0	45	-2.0	-117.64	390.44	5.06	-112.58
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C)C=C1O	REAL300000323023	0	42	-2.0	-113.16	366.67	4.59	-108.57
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C)C=C1O	REAL300000323024	0	43	-2.0	-119.00	386.98	3.65	-115.35
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000323025	0	38	-3.0	-193.12	364.95	3.64	-189.48
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(O)=C1	REAL300000323026	0	43	-2.0	-119.94	380.79	4.96	-114.98
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C=C2O)C=C(C(=O)[O-])O1	REAL300000323027	0	36	-2.0	-109.38	339.56	2.22	-107.16
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(O)=C1	REAL300000323028	0	40	-2.0	-119.56	365.45	2.18	-117.38
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(O)=C1	REAL300000323029	0	43	-2.0	-102.58	387.70	4.07	-98.51
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(O)=C1	REAL300000323030	0	39	-2.0	-106.62	357.26	3.88	-102.74
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(O)=C1	REAL300000323031	0	40	-2.0	-101.74	373.84	3.43	-98.31
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C=C2O)C=C1C(=O)[O-]	REAL300000323032	0	43	-2.0	-123.56	385.68	4.06	-119.50
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C=C2O)C=C(C(=O)[O-])S1	REAL300000323033	0	36	-2.0	-112.29	345.15	2.98	-109.31
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(O)=C1	REAL300000323034	0	36	-2.0	-101.78	349.59	3.63	-98.15
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(O)=C1	REAL300000323035	0	36	-2.0	-103.87	341.06	3.12	-100.75
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(O)=C1	REAL300000323036	0	33	-2.0	-105.61	328.81	2.21	-103.40
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000323037	0	36	-2.0	-107.67	342.95	3.15	-104.52
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(O)=C1	REAL300000323038	0	39	-2.0	-113.91	362.31	3.78	-110.13
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(O)=C1	REAL300000323039	0	36	-2.0	-103.74	342.03	3.15	-100.59
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(O)=C1	REAL300000323040	0	36	-2.0	-101.89	349.03	3.48	-98.41
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(O)=C1	REAL300000323041	0	39	-2.0	-108.23	365.99	4.27	-103.96
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000323042	0	36	-2.0	-105.39	347.36	3.17	-102.22
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(O)=C1	REAL300000323043	0	38	-2.0	-101.25	364.73	3.75	-97.50
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(O)=C1	REAL300000323044	0	37	-2.0	-113.58	346.26	0.80	-112.78
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(O)=C1	REAL300000323044	1	36	-3.0	-214.44	342.70	1.67	-212.77
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(O)=C1	REAL300000323045	0	39	-2.0	-106.33	358.71	3.86	-102.47
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(O)=C1	REAL300000323046	0	39	-2.0	-113.84	346.09	3.68	-110.16
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000323047	0	39	-2.0	-115.85	361.38	3.73	-112.12
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(O)=C1	REAL300000323048	0	39	-2.0	-104.03	351.96	3.84	-100.19
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000323049	0	42	-2.0	-120.72	373.34	4.25	-116.47
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(O)=C1	REAL300000323050	0	38	-2.0	-114.41	363.10	4.17	-110.24
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(O)=C1	REAL300000323051	0	36	-2.0	-104.52	348.30	3.21	-101.31
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(O)=C1	REAL300000323052	0	42	-2.0	-118.38	369.93	4.41	-113.97
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(O)=C1	REAL300000323053	0	39	-2.0	-113.56	358.02	3.68	-109.88
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(O)=C1	REAL300000323054	0	39	-2.0	-112.57	368.31	4.20	-108.37
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(O)=C1	REAL300000323055	0	39	-2.0	-122.71	361.58	3.77	-118.94
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C=C2O)C=C1C(=O)[O-]	REAL300000323056	0	42	-2.0	-117.87	370.79	4.27	-113.60
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C=C2O)C=C1CC(=O)[O-]	REAL300000323057	0	43	-2.0	-116.35	387.01	3.21	-113.14
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(O)=C1	REAL300000323058	0	39	-2.0	-106.77	362.81	4.19	-102.58
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(O)=C1	REAL300000323059	0	39	-2.0	-114.58	367.77	4.04	-110.54
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C=C2O)C=C1C(=O)[O-]	REAL300000323060	0	40	-2.0	-116.88	364.57	3.30	-113.58
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000323061	0	39	-2.0	-110.84	370.29	4.15	-106.69
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(O)=C1	REAL300000323062	0	39	-2.0	-104.33	352.55	3.62	-100.71
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(O)=C1	REAL300000323063	0	39	-2.0	-113.08	356.50	3.89	-109.19
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(O)=C1	REAL300000323064	0	38	-2.0	-124.82	360.27	4.94	-119.88
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(O)=C1	REAL300000323065	0	36	-2.0	-121.90	340.20	3.12	-118.78
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000323066	0	39	-2.0	-109.09	361.48	3.76	-105.33
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(O)=C1	REAL300000323067	0	35	-2.0	-114.34	332.77	1.21	-113.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C)C=C1O	REAL300000323068	0	40	-2.0	-108.28	364.75	2.89	-105.39
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(O)=C1	REAL300000323069	0	33	-2.0	-103.81	336.69	2.06	-101.75
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(O)=C1	REAL300000323070	0	43	-2.0	-109.99	382.67	4.97	-105.02
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(O)=C1	REAL300000323071	0	43	-2.0	-116.51	382.00	4.97	-111.54
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C=C2O)C=C(C(=O)[O-])O1	REAL300000323072	0	39	-2.0	-108.85	358.67	3.01	-105.84
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(OCC2=CC=CC=C2)=C1	REAL300000323073	0	45	-2.0	-102.05	398.06	9.00	-93.05
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(OCC2=CC=CC=C2)=C1	REAL300000323074	0	45	-2.0	-115.38	398.08	8.99	-106.39
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(OCC2=CC=CC=C2)=C1	REAL300000323075	0	44	-2.0	-113.37	394.29	7.12	-106.25
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000323076	0	41	-2.0	-110.55	362.90	6.80	-103.75
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000323077	0	41	-2.0	-100.32	358.35	6.78	-93.54
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000323078	0	41	-2.0	-113.66	358.37	6.77	-106.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(C)C	REAL300000323079	0	45	-2.0	-118.53	386.51	6.56	-111.97
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000323080	0	45	-2.0	-99.28	389.82	8.06	-91.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000323081	0	44	-2.0	-114.84	374.39	7.30	-107.54
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000323082	0	41	-2.0	-108.27	371.44	7.35	-100.92
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000323083	0	41	-2.0	-109.12	370.88	7.16	-101.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)=C1C	REAL300000323084	0	47	-2.0	-115.70	391.48	8.10	-107.60
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000323085	0	41	-2.0	-110.60	363.85	6.83	-103.77
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000323086	0	47	-2.0	-98.58	401.94	8.35	-90.23
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000323087	0	38	-2.0	-107.71	351.55	5.78	-101.93
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(C)C	REAL300000323088	0	44	-2.0	-113.66	373.80	7.55	-106.11
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000323089	0	45	-2.0	-98.03	389.44	7.05	-90.98
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000323090	0	42	-2.0	-111.89	365.02	6.11	-105.78
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(C)C	REAL300000323091	0	45	-2.0	-113.95	382.15	5.61	-108.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)=C1	REAL300000323092	0	41	-2.0	-103.67	367.50	6.45	-97.22
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000323093	0	47	-2.0	-115.03	389.81	8.09	-106.94
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000323094	0	38	-2.0	-109.08	350.02	5.80	-103.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000323095	0	45	-2.0	-119.46	385.65	6.83	-112.63
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000323096	0	50	-2.0	-115.65	412.27	8.78	-106.87
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(C)C	REAL300000323097	0	47	-2.0	-110.95	388.49	8.49	-102.46
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(C)C	REAL300000323098	0	48	-2.0	-119.64	408.80	7.33	-112.31
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000323099	0	43	-3.0	-191.23	386.77	7.33	-183.90
CC(C)COC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000323099	1	44	-2.0	-109.38	386.78	7.26	-102.12
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000323100	0	48	-2.0	-118.41	402.61	8.66	-109.75
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)C=C(C(=O)[O-])O1	REAL300000323101	0	41	-2.0	-106.35	361.38	5.90	-100.45
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)=C1	REAL300000323102	0	45	-2.0	-114.39	387.35	5.85	-108.54
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)=CC=C1OCC(=O)[O-]	REAL300000323103	0	48	-2.0	-98.61	409.53	7.76	-90.85
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(C)C	REAL300000323104	0	44	-2.0	-104.12	379.08	7.58	-96.54
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000323105	0	45	-2.0	-97.32	395.67	7.12	-90.20
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000323106	0	48	-2.0	-119.98	407.50	7.74	-112.24
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)C=C(C(=O)[O-])S1	REAL300000323107	0	41	-2.0	-109.98	366.99	6.66	-103.32
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000323108	0	41	-2.0	-97.61	371.42	7.34	-90.27
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000323109	0	41	-2.0	-99.61	362.88	6.81	-92.80
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000323110	0	38	-2.0	-102.30	350.62	5.90	-96.40
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000323111	0	41	-2.0	-104.09	364.77	6.83	-97.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)=C1F	REAL300000323112	0	44	-2.0	-112.31	384.12	7.46	-104.85
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000323113	0	41	-2.0	-100.04	363.83	6.84	-93.20
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000323114	0	41	-2.0	-97.86	370.85	7.17	-90.69
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(C)C	REAL300000323115	0	44	-2.0	-105.68	387.81	7.97	-97.71
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000323116	0	41	-2.0	-102.02	369.19	6.86	-95.16
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000323117	0	43	-2.0	-98.17	386.56	7.44	-90.73
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000323118	0	42	-2.0	-112.22	368.09	4.47	-107.75
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000323119	0	44	-2.0	-103.70	380.55	7.54	-96.16
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(C)C	REAL300000323120	0	44	-2.0	-109.95	368.41	7.40	-102.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)=CC(C(=O)[O-])=C1F	REAL300000323121	0	44	-2.0	-112.12	383.20	7.42	-104.70
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(C)C	REAL300000323122	0	44	-2.0	-100.07	373.78	7.54	-92.53
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)=CC(C(=O)[O-])=C1C	REAL300000323123	0	47	-2.0	-117.20	391.25	7.84	-109.36
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000323124	0	43	-2.0	-110.88	384.92	7.86	-103.02
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000323125	0	41	-2.0	-102.13	370.10	6.89	-95.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)C(C)=C1C(=O)[O-]	REAL300000323126	0	47	-2.0	-114.29	391.90	8.18	-106.11
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000323127	0	44	-2.0	-111.88	379.85	7.37	-104.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)=C1Cl	REAL300000323128	0	44	-2.0	-110.45	390.15	7.90	-102.55
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)=C1	REAL300000323129	0	44	-2.0	-119.54	383.40	7.46	-112.08
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000323130	0	47	-2.0	-115.54	392.34	7.95	-107.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)C=C1CC(=O)[O-]	REAL300000323131	0	48	-2.0	-116.60	408.83	6.90	-109.70
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(C)C	REAL300000323132	0	44	-2.0	-103.01	384.63	7.95	-95.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)=CC(C(=O)[O-])=C1Cl	REAL300000323133	0	44	-2.0	-111.08	389.59	7.73	-103.35
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000323134	0	45	-2.0	-113.27	386.39	6.98	-106.29
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000323135	0	44	-2.0	-107.00	388.23	7.73	-99.27
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)=CC=C1C(=O)[O-]	REAL300000323136	0	44	-2.0	-102.15	378.42	7.41	-94.74
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(C)C	REAL300000323137	0	44	-2.0	-110.61	378.32	7.58	-103.03
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000323138	0	43	-2.0	-121.19	382.12	8.63	-112.56
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000323139	0	41	-2.0	-118.21	362.01	6.79	-111.42
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000323140	0	44	-2.0	-105.11	379.53	7.34	-97.77
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000323141	0	47	-2.0	-122.14	399.41	8.89	-113.25
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000323142	0	40	-2.0	-111.65	354.58	4.88	-106.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(C)C	REAL300000323143	0	45	-2.0	-104.67	386.57	6.56	-98.11
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000323144	0	38	-2.0	-100.55	358.48	5.73	-94.82
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000323145	0	48	-2.0	-106.63	404.50	8.65	-97.98
CC(C)COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000323146	0	48	-2.0	-110.74	402.46	8.63	-102.11
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(C)C)C=C(C(=O)[O-])O1	REAL300000323147	0	44	-2.0	-106.09	380.48	6.75	-99.34
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000323148	1	42	-2.0	-89.96	373.49	3.82	-86.14
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000323149	1	35	-2.0	-106.40	321.56	5.26	-101.14
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000323150	0	43	-2.0	-107.16	376.63	6.32	-100.84
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000323151	1	35	-2.0	-96.47	317.00	5.24	-91.23
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000323152	1	35	-2.0	-108.97	317.02	5.23	-103.74
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000323153	0	39	-2.0	-113.97	345.16	5.03	-108.94
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000323154	1	39	-2.0	-95.99	348.48	6.53	-89.46
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000323155	1	38	-2.0	-110.14	333.03	5.76	-104.38
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000323156	0	35	-2.0	-104.09	330.09	5.80	-98.29
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000323157	1	35	-2.0	-104.74	329.53	5.62	-99.12
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000323158	0	35	-2.0	-99.66	342.58	6.18	-93.48
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000323159	1	41	-2.0	-111.44	349.69	6.58	-104.86
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000323160	0	35	-2.0	-105.84	322.49	5.29	-100.55
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000323161	1	41	-2.0	-95.13	360.60	6.81	-88.32
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000323162	0	32	-2.0	-103.19	310.20	4.24	-98.95
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000323163	1	38	-2.0	-109.29	332.45	6.01	-103.28
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000323164	1	39	-2.0	-94.69	348.09	5.51	-89.18
CCOC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000323165	0	36	-2.0	-107.39	323.66	4.59	-102.80
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000323167	0	35	-2.0	-99.31	326.12	4.91	-94.40
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000323168	1	41	-2.0	-110.89	348.09	6.58	-104.31
CCOC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000323169	0	32	-2.0	-104.68	308.67	4.26	-100.42
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000323170	1	43	-2.0	-109.47	375.33	5.04	-104.43
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000323171	1	39	-2.0	-114.84	344.31	5.30	-109.54
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000323172	1	45	-2.0	-113.16	372.26	7.86	-105.30
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000323173	1	44	-2.0	-111.49	370.92	7.24	-104.25
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000323174	1	41	-2.0	-107.58	347.19	6.96	-100.62
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000323175	0	42	-2.0	-113.60	367.45	5.79	-107.81
CCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000323176	0	38	-2.0	-112.33	352.13	5.66	-106.67
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000323176	1	37	-3.0	-184.42	345.42	5.79	-178.63
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000323177	1	42	-2.0	-113.55	361.26	7.13	-106.42
CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000323178	0	35	-2.0	-102.37	320.03	4.37	-98.00
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000323179	1	41	-2.0	-113.81	359.19	5.00	-108.81
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000323180	0	39	-2.0	-110.86	345.94	4.32	-106.54
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000323181	1	43	-2.0	-96.07	370.65	5.84	-90.23
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000323182	1	35	-2.0	-98.46	344.69	6.08	-92.38
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000323183	0	35	-2.0	-100.72	334.61	5.82	-94.90
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000323184	1	39	-2.0	-93.15	364.12	6.05	-87.10
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000323185	1	42	-2.0	-95.13	368.17	6.21	-88.92
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000323186	1	45	-2.0	-93.78	396.77	6.47	-87.31
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000323187	1	38	-2.0	-99.90	337.73	6.05	-93.85
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1	REAL300000323188	1	48	-2.0	-95.18	410.63	7.15	-88.03
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000323189	1	39	-2.0	-94.05	354.32	5.58	-88.47
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)=C1	REAL300000323190	1	42	-2.0	-115.53	366.17	6.21	-109.32
CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000323191	0	35	-2.0	-105.63	326.71	5.11	-100.52
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000323192	0	35	-2.0	-97.88	345.24	6.25	-91.63
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000323193	0	35	-2.0	-94.00	330.07	5.79	-88.21
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000323194	1	35	-2.0	-95.90	321.54	5.27	-90.63
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000323195	0	32	-2.0	-98.07	309.29	4.35	-93.72
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000323196	1	35	-2.0	-99.77	323.43	5.29	-94.48
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000323197	0	38	-2.0	-107.20	342.77	5.93	-101.27
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000323198	0	39	-2.0	-98.64	357.32	5.85	-92.79
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000323199	0	35	-2.0	-95.94	322.48	5.30	-90.64
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000323200	1	35	-2.0	-94.07	329.51	5.63	-88.44
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000323201	1	38	-2.0	-101.59	346.46	6.43	-95.16
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000323202	1	43	-2.0	-92.69	380.76	6.64	-86.05
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000323203	1	35	-2.0	-97.88	327.83	5.32	-92.56
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000323204	0	37	-2.0	-93.84	345.21	5.89	-87.95
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000323205	0	36	-2.0	-107.90	326.72	2.95	-104.95
CCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000323205	1	36	-2.0	-106.50	325.82	3.81	-102.69
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000323206	1	38	-2.0	-99.64	339.20	6.01	-93.63
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000323207	1	35	-2.0	-99.31	337.72	5.76	-93.55
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000323208	1	38	-2.0	-105.62	327.08	5.87	-99.75
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000323209	1	38	-2.0	-107.71	341.85	5.88	-101.83
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000323210	1	38	-2.0	-96.56	332.43	6.00	-90.56
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000323211	1	41	-2.0	-113.52	353.81	6.40	-107.12
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000323212	0	37	-2.0	-107.20	343.59	6.32	-100.88
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000323213	0	35	-2.0	-97.51	328.77	5.36	-92.15
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000323214	1	41	-2.0	-110.15	350.41	6.64	-103.51
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000323215	0	38	-2.0	-108.11	342.33	5.93	-102.18
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000323216	0	38	-2.0	-105.83	348.78	6.37	-99.46
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000323217	0	38	-2.0	-114.49	342.05	5.92	-108.57
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000323218	1	41	-2.0	-110.91	350.95	6.42	-104.49
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000323219	1	42	-2.0	-110.19	367.49	5.35	-104.84
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000323220	1	38	-2.0	-98.62	343.28	6.40	-92.22
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000323221	1	38	-2.0	-93.00	347.14	6.04	-86.96
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000323222	1	38	-2.0	-106.59	348.23	6.20	-100.39
CCOC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000323223	0	39	-2.0	-108.69	345.15	5.44	-103.25
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000323225	0	35	-2.0	-96.15	342.62	5.79	-90.36
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000323226	1	38	-2.0	-103.50	350.76	6.30	-97.20
CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000323227	0	44	-2.0	-105.51	366.45	7.36	-98.15
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000323228	0	39	-2.0	-109.65	357.34	5.86	-103.79
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000323229	1	38	-2.0	-96.61	333.02	5.77	-90.84
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000323230	0	40	-2.0	-102.37	360.28	7.42	-94.95
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000323231	1	38	-2.0	-106.96	336.55	6.07	-100.89
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000323232	0	37	-2.0	-116.86	340.74	7.09	-109.77
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000323233	0	35	-2.0	-113.72	320.67	5.26	-108.46
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000323234	1	38	-2.0	-101.70	341.96	5.91	-95.79
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000323235	1	41	-2.0	-117.41	358.06	7.35	-110.06
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000323236	0	34	-2.0	-105.53	314.00	3.28	-102.25
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000323237	0	39	-2.0	-100.71	345.21	5.04	-95.67
CCOC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000323238	0	32	-2.0	-96.36	317.16	4.21	-92.15
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000323239	1	42	-2.0	-102.80	363.14	7.11	-95.69
CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000323240	1	42	-2.0	-107.35	362.45	7.12	-100.23
CCOC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000323241	0	38	-2.0	-102.17	339.15	5.21	-96.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C	REAL300000323245	0	45	-2.0	-113.45	383.02	6.41	-107.04
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000323248	0	41	-2.0	-103.40	367.95	7.19	-96.21
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000323251	0	41	-2.0	-105.06	360.36	6.68	-98.38
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000323253	0	38	-2.0	-101.78	348.06	5.63	-96.15
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000323256	1	42	-2.0	-105.89	361.52	5.96	-99.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C)=C1	REAL300000323258	0	41	-2.0	-97.77	364.01	6.30	-91.47
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000323260	1	38	-2.0	-103.09	346.53	5.65	-97.44
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C	REAL300000323264	0	48	-2.0	-113.44	405.30	7.18	-106.26
CC1=CC(OC(C)C)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000323265	0	44	-2.0	-109.92	381.85	7.12	-102.80
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C)C=C(C(=O)[O-])O1	REAL300000323267	0	41	-2.0	-101.59	357.87	5.75	-95.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C)=C1	REAL300000323268	0	45	-2.0	-108.30	383.84	5.70	-102.60
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000323270	1	44	-2.0	-99.26	375.58	7.43	-91.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C)C=C(C(=O)[O-])S1	REAL300000323273	1	41	-2.0	-105.28	363.51	6.51	-98.77
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000323274	1	41	-2.0	-92.44	367.92	7.19	-85.25
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000323276	0	38	-2.0	-96.57	347.14	5.74	-90.83
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000323277	1	41	-2.0	-98.37	361.29	6.68	-91.69
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000323278	0	44	-2.0	-106.45	380.61	7.31	-99.14
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000323279	0	41	-2.0	-94.30	360.33	6.69	-87.61
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000323283	1	43	-2.0	-92.29	383.07	7.28	-85.01
CC1=CC(OC(C)C)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000323284	0	42	-2.0	-105.78	359.37	5.24	-100.54
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000323284	1	42	-2.0	-108.01	364.59	4.33	-103.68
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000323290	1	43	-2.0	-105.52	382.02	7.74	-97.78
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000323291	0	41	-2.0	-96.53	366.61	6.74	-89.79
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000323293	0	44	-2.0	-106.19	375.98	7.21	-98.98
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000323294	0	44	-2.0	-105.20	386.65	7.75	-97.45
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C)=C1	REAL300000323295	0	44	-2.0	-111.89	379.91	7.31	-104.58
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C)C=C1C(=O)[O-]	REAL300000323300	1	45	-2.0	-107.18	382.91	6.83	-100.35
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000323304	0	43	-2.0	-114.16	378.61	8.46	-105.70
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000323305	0	41	-2.0	-111.22	358.51	6.64	-104.58
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000323308	0	40	-2.0	-105.16	351.09	4.73	-100.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C	REAL300000323309	1	45	-2.0	-99.22	383.08	6.41	-92.81
CC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000323310	0	38	-2.0	-95.39	354.98	5.59	-89.80
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C)C=C(C(=O)[O-])O1	REAL300000323313	0	44	-2.0	-101.56	377.01	6.60	-94.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=CC=C1F	REAL300000323314	1	34	-2.0	-108.89	334.71	5.92	-102.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C1	REAL300000323315	1	34	-2.0	-98.99	330.14	5.90	-93.09
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C1	REAL300000323316	1	34	-2.0	-111.61	330.16	5.89	-105.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CS2)=C1	REAL300000323317	0	38	-2.0	-116.35	358.30	5.69	-110.66
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C1	REAL300000323318	1	38	-2.0	-98.20	361.63	7.18	-91.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C1C(=O)[O-]	REAL300000323319	1	37	-2.0	-112.83	346.18	6.43	-106.40
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C1	REAL300000323320	0	34	-2.0	-106.41	343.23	6.47	-99.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=CC=C1Cl	REAL300000323321	1	34	-2.0	-107.34	342.69	6.29	-101.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C1C	REAL300000323322	1	40	-2.0	-113.42	362.56	7.20	-106.22
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C1	REAL300000323323	0	34	-2.0	-108.29	335.64	5.96	-102.33
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C1	REAL300000323324	1	40	-2.0	-97.29	373.72	7.48	-89.81
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C1	REAL300000323325	0	31	-2.0	-105.78	323.34	4.91	-100.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CS2)=C1	REAL300000323326	1	37	-2.0	-111.52	345.59	6.68	-104.84
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C1C(=O)[O-]	REAL300000323328	0	35	-2.0	-110.03	336.81	5.25	-104.78
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C1	REAL300000323330	0	34	-2.0	-101.90	339.28	5.58	-96.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=CS1	REAL300000323332	0	31	-2.0	-107.25	321.81	4.93	-102.32
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CS2)=C1	REAL300000323334	1	40	-2.0	-109.47	360.31	7.61	-101.86
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C(C(=O)[O-])O1	REAL300000323335	0	34	-2.0	-104.78	333.17	5.03	-99.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C1	REAL300000323336	0	38	-2.0	-112.83	359.15	4.98	-107.85
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CS2)=C1	REAL300000323337	1	37	-2.0	-102.17	350.87	6.71	-95.46
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C(C(=O)[O-])S1	REAL300000323338	0	34	-2.0	-108.01	338.76	5.78	-102.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C(Cl)=C1	REAL300000323339	0	34	-2.0	-96.51	343.21	6.45	-90.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C1F	REAL300000323340	1	34	-2.0	-98.40	334.67	5.93	-92.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)S1	REAL300000323341	0	31	-2.0	-100.67	322.43	5.02	-95.65
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C1	REAL300000323342	1	34	-2.0	-102.37	336.57	5.96	-96.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C1F	REAL300000323343	0	37	-2.0	-109.76	355.92	6.60	-103.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C(F)=C1	REAL300000323344	0	34	-2.0	-98.62	335.62	5.96	-92.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C1Cl	REAL300000323345	1	34	-2.0	-96.48	342.65	6.30	-90.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=CC(F)=C1F	REAL300000323346	1	34	-2.0	-100.38	340.98	5.99	-94.39
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C1	REAL300000323347	0	35	-2.0	-110.09	339.87	3.61	-106.48
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3=NC=CS3)=C2)=C1	REAL300000323347	1	35	-2.0	-109.14	339.07	4.41	-104.73
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C1	REAL300000323348	1	37	-2.0	-101.91	352.33	6.68	-95.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CS2)=C1	REAL300000323349	1	37	-2.0	-108.44	340.23	6.52	-101.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=CC(C(=O)[O-])=C1F	REAL300000323350	1	37	-2.0	-110.32	354.99	6.54	-103.78
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=CC(C(=O)[O-])=C1C	REAL300000323352	1	40	-2.0	-116.23	366.96	7.06	-109.17
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C1	REAL300000323353	0	34	-2.0	-99.98	341.92	6.02	-93.96
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C1C(=O)[O-]	REAL300000323355	0	37	-2.0	-109.45	351.63	6.49	-102.96
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C1	REAL300000323356	0	37	-2.0	-117.42	355.20	6.59	-110.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C1C(=O)[O-]	REAL300000323357	1	40	-2.0	-113.54	364.39	7.08	-106.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C1C(=O)[O-]	REAL300000323358	0	38	-2.0	-111.33	358.19	6.11	-105.22
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=CC=C1C(=O)[O-]	REAL300000323359	1	37	-2.0	-99.14	346.17	6.43	-92.71
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CS2)=C1	REAL300000323360	1	37	-2.0	-109.13	349.70	6.72	-102.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C1F	REAL300000323361	0	34	-2.0	-116.64	333.77	5.92	-110.72
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C1C(=O)[O-]	REAL300000323362	1	37	-2.0	-104.24	355.10	6.56	-97.68
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C1	REAL300000323363	0	33	-2.0	-107.84	327.15	3.95	-103.89
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CS2)=C1	REAL300000323364	0	38	-2.0	-103.20	358.36	5.69	-97.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)=C(Cl)O1	REAL300000323365	0	31	-2.0	-98.88	330.31	4.88	-94.00
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CS3)=C2)C=C(C(=O)[O-])O1	REAL300000323366	0	37	-2.0	-104.36	352.29	5.88	-98.48
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000323369	1	38	-2.0	-105.52	354.57	6.57	-98.95
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1Cl	REAL300000323370	0	42	-2.0	-111.63	382.71	6.38	-105.25
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1Cl	REAL300000323371	1	42	-2.0	-93.02	386.03	7.88	-85.14
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000323374	0	38	-2.0	-103.29	360.05	6.65	-96.64
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300000323375	1	44	-2.0	-92.23	398.15	8.16	-84.07
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000323376	0	35	-2.0	-99.93	347.75	5.60	-94.33
CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000323379	1	39	-2.0	-103.92	361.22	5.94	-97.98
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1Cl	REAL300000323381	0	38	-2.0	-93.28	363.69	6.26	-87.02
CCCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000323383	1	35	-2.0	-101.27	346.22	5.62	-95.65
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000323386	0	38	-2.0	-100.15	357.58	5.72	-94.43
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000323387	0	42	-2.0	-103.90	383.56	5.67	-98.23
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300000323388	1	38	-2.0	-103.70	363.17	6.47	-97.23
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000323389	1	38	-2.0	-92.77	359.10	6.62	-86.15
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000323390	0	35	-2.0	-94.88	346.84	5.71	-89.17
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000323391	1	38	-2.0	-96.48	360.97	6.65	-89.83
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000323392	0	38	-2.0	-92.44	360.03	6.65	-85.79
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000323393	0	39	-2.0	-106.54	364.29	4.29	-102.25
CCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000323393	1	39	-2.0	-102.66	363.38	5.17	-97.49
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000323394	1	41	-2.0	-96.84	376.75	7.36	-89.48
CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1Cl	REAL300000323400	1	42	-2.0	-105.16	382.60	6.80	-98.36
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000323402	0	38	-2.0	-106.84	358.23	6.62	-100.22
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000323403	0	37	-2.0	-99.42	351.55	4.64	-94.78
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1Cl	REAL300000323404	0	42	-2.0	-94.64	382.77	6.38	-88.26
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000323405	0	35	-2.0	-93.77	354.72	5.58	-88.19
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000323406	0	41	-2.0	-100.16	376.71	6.57	-93.59
CCC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000323407	1	47	-2.0	-92.89	391.44	5.96	-86.93
CCC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000323408	1	47	-2.0	-104.77	391.48	5.95	-98.82
CCC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000323409	0	44	-2.0	-103.01	384.65	4.98	-98.03
CCC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000323410	0	48	-2.0	-103.38	398.11	5.31	-98.07
CCC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000323411	0	44	-2.0	-104.54	383.11	5.01	-99.53
CCC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000323412	0	47	-2.0	-98.83	394.49	5.10	-93.73
CCC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000323413	0	44	-2.0	-94.38	383.72	5.08	-89.30
CCC(C)(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000323414	0	46	-2.0	-106.26	387.67	4.09	-102.17
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2F)C(C)=C1	REAL300000323416	1	41	-2.0	-105.06	373.12	7.38	-97.68
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2F)C(C)=C1	REAL300000323417	0	38	-2.0	-104.15	366.30	6.41	-97.74
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2F)C(C)=C1	REAL300000323418	1	42	-2.0	-103.56	379.76	6.75	-96.81
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2F)C(C)=C1	REAL300000323419	1	38	-2.0	-100.24	364.77	6.43	-93.81
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2F)C(C)=C1	REAL300000323420	0	41	-2.0	-104.69	376.15	6.53	-98.16
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2F)C(C)=C1	REAL300000323421	0	38	-2.0	-99.70	365.38	6.51	-93.19
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2F)C(C)=C1	REAL300000323422	0	40	-2.0	-108.37	370.10	5.45	-102.92
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000323423	1	41	-2.0	-106.73	368.58	4.99	-101.74
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000323424	1	41	-2.0	-93.16	364.03	4.97	-88.19
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000323425	1	41	-2.0	-104.96	364.07	4.96	-100.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)C)C=C1	REAL300000323426	0	45	-2.0	-109.71	392.19	4.77	-104.94
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000323427	1	45	-2.0	-92.92	395.50	6.26	-86.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000323428	1	44	-2.0	-107.29	384.14	5.61	-101.68
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000323429	0	41	-2.0	-105.51	377.12	5.53	-99.98
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000323430	1	41	-2.0	-105.06	376.56	5.35	-99.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)=C1C	REAL300000323431	1	47	-2.0	-112.92	396.45	6.28	-106.64
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000323432	0	41	-2.0	-106.92	369.53	5.03	-101.89
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000323433	1	47	-2.0	-91.98	407.62	6.55	-85.43
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000323434	0	38	-2.0	-103.46	357.24	3.99	-99.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)C)C=C1	REAL300000323435	1	44	-2.0	-105.51	379.49	5.75	-99.76
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000323436	1	45	-2.0	-91.59	395.12	5.25	-86.34
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000323437	0	42	-2.0	-103.51	370.70	4.32	-99.19
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)C)C=C1	REAL300000323438	1	45	-2.0	-106.21	387.84	3.80	-102.41
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)=C1	REAL300000323439	0	41	-2.0	-99.57	373.18	4.65	-94.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000323440	1	47	-2.0	-107.01	395.09	6.31	-100.70
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000323441	0	38	-2.0	-104.96	355.70	4.01	-100.95
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000323442	1	45	-2.0	-110.89	391.34	5.03	-105.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)C)C=C1	REAL300000323443	1	47	-2.0	-104.09	394.22	6.69	-97.40
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000323444	0	41	-2.0	-99.04	367.09	4.11	-94.93
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)=C1	REAL300000323445	0	45	-2.0	-110.00	393.02	4.05	-105.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)C)C=C1	REAL300000323446	1	44	-2.0	-96.52	384.76	5.79	-90.73
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000323447	0	41	-2.0	-102.28	372.68	4.87	-97.41
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000323448	0	41	-2.0	-94.46	377.10	5.52	-88.94
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000323449	1	41	-2.0	-92.91	368.58	5.00	-87.91
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000323450	0	38	-2.0	-94.62	356.31	4.09	-90.53
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000323451	1	41	-2.0	-100.03	370.46	5.03	-95.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)=C1F	REAL300000323452	0	44	-2.0	-108.23	389.81	5.67	-102.56
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000323453	0	41	-2.0	-95.97	369.52	5.03	-90.94
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000323454	1	41	-2.0	-90.77	376.55	5.36	-85.41
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000323455	1	41	-2.0	-98.35	374.87	5.05	-93.30
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000323456	0	42	-2.0	-104.32	373.76	2.69	-101.63
CC(C)NC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000323456	1	42	-2.0	-109.84	372.99	3.48	-106.36
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000323457	1	44	-2.0	-96.01	386.22	5.75	-90.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)C)C=C1	REAL300000323458	1	44	-2.0	-102.98	377.34	5.72	-97.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)=CC(C(=O)[O-])=C1F	REAL300000323459	1	44	-2.0	-107.96	388.89	5.60	-102.36
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)C)C=C1	REAL300000323460	1	44	-2.0	-97.35	379.46	5.74	-91.61
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)=CC(C(=O)[O-])=C1C	REAL300000323461	1	47	-2.0	-112.01	396.93	6.03	-105.98
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000323462	0	41	-2.0	-98.35	375.81	5.09	-93.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)C(C)=C1C(=O)[O-]	REAL300000323463	1	47	-2.0	-106.07	397.44	6.37	-99.70
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000323464	0	44	-2.0	-107.96	385.53	5.56	-102.40
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)=C1	REAL300000323465	0	44	-2.0	-113.03	389.06	5.65	-107.38
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000323466	1	47	-2.0	-110.80	397.99	6.15	-104.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000323467	0	45	-2.0	-104.76	392.07	5.18	-99.58
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000323468	1	44	-2.0	-96.93	380.06	5.51	-91.42
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)C)C=C1	REAL300000323469	1	44	-2.0	-108.61	384.00	5.79	-102.82
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000323470	0	41	-2.0	-109.50	367.71	4.99	-104.51
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000323471	1	44	-2.0	-97.87	389.01	5.64	-92.23
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000323472	0	40	-2.0	-106.63	360.26	3.10	-103.53
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)C)C=C1	REAL300000323473	0	45	-2.0	-101.00	392.26	4.76	-96.24
CC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000323474	0	38	-2.0	-93.12	364.20	3.94	-89.18
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000323475	0	44	-2.0	-98.85	386.17	4.96	-93.89
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000323476	0	35	-2.0	-115.41	340.88	4.12	-111.29
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000323477	0	35	-2.0	-105.39	336.34	4.09	-101.30
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000323478	0	35	-2.0	-118.26	336.35	4.08	-114.18
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000323479	0	39	-2.0	-122.73	364.49	3.88	-118.85
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000323480	0	39	-2.0	-103.76	367.82	5.38	-98.38
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000323481	0	38	-2.0	-119.69	352.37	4.62	-115.07
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000323482	0	41	-2.0	-119.94	369.02	5.44	-114.50
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000323483	0	35	-2.0	-114.98	341.82	4.15	-110.83
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000323484	0	41	-2.0	-103.02	379.93	5.67	-97.35
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000323485	0	32	-2.0	-112.56	329.54	3.10	-109.46
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000323486	0	38	-2.0	-117.63	351.78	4.88	-112.75
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000323487	0	39	-2.0	-102.54	367.44	4.37	-98.17
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000323488	0	36	-2.0	-116.66	343.00	3.44	-113.22
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000323489	0	39	-2.0	-118.03	360.13	2.92	-115.11
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000323490	0	35	-2.0	-108.71	345.46	3.77	-104.94
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000323491	0	41	-2.0	-119.00	367.81	5.42	-113.58
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000323492	0	32	-2.0	-113.81	328.00	3.12	-110.69
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000323493	0	39	-2.0	-124.15	363.64	4.15	-120.00
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1C(=O)NC	REAL300000323494	0	41	-2.0	-114.03	361.94	5.73	-108.30
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000323495	0	35	-2.0	-111.15	339.35	3.23	-107.92
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000323496	0	39	-2.0	-120.49	365.27	3.18	-117.31
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000323497	0	35	-2.0	-114.05	346.04	3.98	-110.07
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000323498	0	35	-2.0	-104.70	340.86	4.13	-100.57
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000323499	0	32	-2.0	-107.40	328.61	3.22	-104.18
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000323500	0	35	-2.0	-109.07	342.77	4.15	-104.92
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000323501	0	35	-2.0	-105.11	341.81	4.16	-100.95
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000323502	0	36	-2.0	-115.69	346.07	1.79	-113.90
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000323503	0	38	-2.0	-108.37	358.54	4.86	-103.51
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000323504	0	38	-2.0	-115.03	346.39	4.72	-110.31
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000323505	0	38	-2.0	-104.98	351.76	4.87	-100.11
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000323506	0	41	-2.0	-121.78	369.82	5.17	-116.61
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000323507	0	41	-2.0	-119.78	369.88	5.49	-114.29
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2C(=O)NC)C=C1C(=O)[O-]	REAL300000323508	0	41	-2.0	-120.41	370.67	5.27	-115.14
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2C(=O)NC)C=C1C(=O)[O-]	REAL300000323509	0	39	-2.0	-118.01	364.30	4.29	-113.72
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000323510	0	38	-2.0	-105.68	352.36	4.63	-101.05
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000323511	0	35	-2.0	-123.50	339.98	4.11	-119.39
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000323512	0	34	-2.0	-114.17	333.32	2.15	-112.02
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000323513	0	39	-2.0	-109.40	364.55	3.89	-105.51
CNC(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000323514	0	32	-2.0	-105.50	336.46	3.07	-102.43
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2C(=O)NC)C=C(C(=O)[O-])O1	REAL300000323515	0	38	-2.0	-109.62	354.63	4.07	-105.55
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C)=C1	REAL300000323516	1	41	-2.0	-102.45	367.85	4.92	-97.53
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300000323517	1	41	-2.0	-92.84	363.30	4.90	-87.94
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000323518	1	41	-2.0	-104.64	363.32	4.89	-99.75
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000323519	0	45	-2.0	-109.50	391.46	4.69	-104.81
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C)=C1	REAL300000323520	1	45	-2.0	-92.51	394.77	6.18	-86.33
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000323521	1	44	-2.0	-105.57	379.34	5.42	-100.15
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C)=C1	REAL300000323522	1	47	-2.0	-107.15	396.43	6.22	-100.93
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1	REAL300000323523	0	41	-2.0	-101.56	368.80	4.95	-96.61
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1	REAL300000323524	1	47	-2.0	-91.59	406.89	6.48	-85.11
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1	REAL300000323525	0	38	-2.0	-99.19	356.51	3.91	-95.28
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C)=C1	REAL300000323526	1	44	-2.0	-105.46	378.76	5.68	-99.78
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C)=C1	REAL300000323527	1	45	-2.0	-91.21	394.39	5.17	-86.04
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000323528	0	42	-2.0	-103.15	369.97	4.24	-98.91
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C)=C1	REAL300000323529	1	45	-2.0	-105.82	387.52	3.71	-102.11
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=C1	REAL300000323530	0	41	-2.0	-95.47	372.43	4.57	-90.90
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C)=C1	REAL300000323531	1	47	-2.0	-106.51	394.77	6.22	-100.29
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1	REAL300000323532	0	38	-2.0	-100.55	354.97	3.93	-96.62
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(C)=C1	REAL300000323533	1	45	-2.0	-110.52	390.61	4.95	-105.57
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C(C)=C1	REAL300000323534	1	47	-2.0	-103.78	392.70	6.59	-97.19
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000323535	0	41	-2.0	-98.87	366.33	4.03	-94.84
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000323536	0	45	-2.0	-105.83	392.23	3.99	-101.84
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=C1	REAL300000323537	1	44	-2.0	-96.42	384.03	5.71	-90.71
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300000323538	0	41	-2.0	-102.13	371.95	4.79	-97.34
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=C1	REAL300000323539	0	41	-2.0	-90.47	376.37	5.46	-85.01
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=C1	REAL300000323540	1	41	-2.0	-92.55	367.84	4.93	-87.62
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1	REAL300000323541	0	38	-2.0	-94.28	355.58	4.02	-90.26
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000323542	1	41	-2.0	-95.75	369.74	4.95	-90.80
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C)=C1	REAL300000323543	0	44	-2.0	-102.89	389.07	5.58	-97.31
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300000323544	0	41	-2.0	-92.12	368.78	4.96	-87.16
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=C1	REAL300000323545	1	41	-2.0	-90.50	375.82	5.29	-85.21
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1	REAL300000323546	0	42	-2.0	-104.27	373.03	2.59	-101.68
CCNC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1	REAL300000323546	1	42	-2.0	-106.71	367.25	3.47	-103.24
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)=C1	REAL300000323547	1	44	-2.0	-95.78	385.49	5.67	-90.11
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C)=C1	REAL300000323548	1	44	-2.0	-101.08	373.36	5.53	-95.55
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C)=C1	REAL300000323549	1	44	-2.0	-103.69	388.15	5.54	-98.15
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C)=C1	REAL300000323550	1	44	-2.0	-93.15	378.73	5.67	-87.48
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000323551	1	47	-2.0	-107.43	396.19	5.96	-101.47
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=C1	REAL300000323552	0	41	-2.0	-93.55	375.05	5.01	-88.54
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C)=C1	REAL300000323553	1	47	-2.0	-105.15	397.80	6.29	-98.86
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C)=C1	REAL300000323554	0	44	-2.0	-103.80	388.63	5.58	-98.22
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000323555	0	44	-2.0	-109.42	388.36	5.58	-103.84
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C(C)=C1	REAL300000323556	1	47	-2.0	-106.27	397.29	6.07	-100.20
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C)=C1	REAL300000323557	0	45	-2.0	-104.35	391.34	5.11	-99.24
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C)=C1	REAL300000323558	1	44	-2.0	-94.40	383.37	5.53	-88.87
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C)=C1	REAL300000323559	1	44	-2.0	-103.21	383.27	5.71	-97.50
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000323560	0	41	-2.0	-108.77	366.95	4.91	-103.86
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000323561	1	44	-2.0	-96.43	384.49	5.46	-90.97
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1	REAL300000323562	0	40	-2.0	-102.20	359.53	3.02	-99.18
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300000323563	0	45	-2.0	-96.62	391.52	4.69	-91.93
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000323564	0	38	-2.0	-92.95	363.43	3.87	-89.08
CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000323565	0	44	-2.0	-98.70	385.45	4.88	-93.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C(F)=C1	REAL300000323569	0	44	-2.0	-115.28	374.36	5.20	-110.08
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)=C1	REAL300000323572	0	40	-2.0	-99.84	359.29	5.98	-93.86
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)=C1	REAL300000323575	0	40	-2.0	-101.18	351.69	5.47	-95.71
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)=C1	REAL300000323577	0	37	-2.0	-103.15	339.40	4.42	-98.73
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000323580	1	41	-2.0	-102.95	352.86	4.75	-98.20
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)=C1	REAL300000323582	0	40	-2.0	-99.01	355.34	5.08	-93.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)=CS1	REAL300000323584	1	37	-2.0	-104.32	337.84	4.44	-99.88
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000323587	0	40	-2.0	-98.27	349.22	4.54	-93.73
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)=C1	REAL300000323588	0	44	-2.0	-106.10	375.24	4.49	-101.61
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C(F)=C1	REAL300000323589	1	43	-2.0	-101.15	366.93	6.22	-94.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000323590	1	40	-2.0	-101.56	354.82	5.29	-96.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)C(Cl)=C1	REAL300000323591	1	40	-2.0	-90.19	359.30	5.96	-84.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)S1	REAL300000323593	0	37	-2.0	-94.03	338.52	4.53	-89.50
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)=C1	REAL300000323594	1	40	-2.0	-99.71	352.60	5.47	-94.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)=C1F	REAL300000323595	0	43	-2.0	-108.10	371.99	6.10	-102.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)C(F)=C1	REAL300000323596	0	40	-2.0	-91.85	351.71	5.47	-86.38
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3CCCC3)C(F)=C2)=C1	REAL300000323598	0	41	-2.0	-103.21	354.99	3.94	-99.27
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)=C1	REAL300000323598	1	41	-2.0	-103.73	355.93	3.12	-100.61
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000323605	0	43	-2.0	-109.34	371.39	6.11	-103.23
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)=C1	REAL300000323606	0	43	-2.0	-112.66	371.26	6.09	-106.57
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000323608	1	44	-2.0	-108.50	374.21	5.61	-102.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)=C1F	REAL300000323611	0	40	-2.0	-111.90	349.88	5.43	-106.47
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)=C1	REAL300000323613	0	39	-2.0	-106.96	343.20	3.46	-103.50
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C(F)=C1	REAL300000323614	0	44	-2.0	-100.61	374.42	5.20	-95.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)=C(Cl)O1	REAL300000323615	0	37	-2.0	-92.35	346.36	4.39	-87.96
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000323616	0	43	-2.0	-98.14	368.35	5.39	-92.75
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000323617	1	35	-2.0	-98.67	339.18	3.83	-94.84
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300000323618	1	35	-2.0	-89.25	334.61	3.81	-85.44
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000323619	1	35	-2.0	-100.74	334.64	3.80	-96.94
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1Cl	REAL300000323620	0	39	-2.0	-106.37	362.78	3.60	-102.77
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000323621	1	39	-2.0	-89.42	366.09	5.10	-84.32
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000323622	1	38	-2.0	-102.93	354.71	4.45	-98.48
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1Cl	REAL300000323623	1	41	-2.0	-104.54	367.32	5.16	-99.38
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1Cl	REAL300000323624	0	35	-2.0	-98.22	340.11	3.86	-94.36
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000323625	1	41	-2.0	-88.54	378.20	5.39	-83.15
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000323626	0	32	-2.0	-95.41	327.82	2.81	-92.60
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1Cl	REAL300000323627	1	38	-2.0	-102.52	350.07	4.59	-97.93
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000323628	1	39	-2.0	-88.08	365.72	4.09	-83.99
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000323629	0	36	-2.0	-99.25	341.28	3.15	-96.10
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000323631	0	35	-2.0	-91.67	343.75	3.49	-88.18
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC=C1Cl	REAL300000323632	1	41	-2.0	-103.87	365.71	5.15	-98.72
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000323633	0	32	-2.0	-96.83	326.29	2.83	-94.00
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000323634	1	39	-2.0	-106.60	361.92	3.87	-102.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)NC)=C1	REAL300000323635	1	41	-2.0	-101.34	364.78	5.52	-95.82
CNC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000323636	0	35	-2.0	-95.87	337.65	2.94	-92.93
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000323637	0	39	-2.0	-101.66	363.62	2.89	-98.77
CNC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000323638	0	35	-2.0	-99.24	343.24	3.69	-95.55
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000323639	1	35	-2.0	-89.06	339.16	3.84	-85.22
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000323640	0	32	-2.0	-90.59	326.91	2.93	-87.66
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000323641	1	35	-2.0	-91.99	341.04	3.87	-88.12
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1Cl	REAL300000323642	0	35	-2.0	-88.27	340.10	3.87	-84.40
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Cl	REAL300000323643	0	36	-2.0	-101.71	344.35	1.51	-100.20
CNC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Cl	REAL300000323643	1	36	-2.0	-101.58	333.39	2.39	-99.19
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000323644	1	38	-2.0	-92.79	356.80	4.59	-88.20
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000323645	1	38	-2.0	-96.63	344.70	4.44	-92.19
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1Cl	REAL300000323646	1	38	-2.0	-89.77	350.05	4.57	-85.20
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000323647	1	41	-2.0	-103.46	367.53	4.87	-98.59
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000323648	1	41	-2.0	-100.70	369.12	5.20	-95.50
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)NC)=C2)C=C1C(=O)[O-]	REAL300000323649	1	41	-2.0	-102.27	368.88	4.99	-97.28
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)NC)=C2)C=C1C(=O)[O-]	REAL300000323650	0	39	-2.0	-100.45	362.66	4.01	-96.44
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Cl	REAL300000323651	1	38	-2.0	-89.21	350.64	4.34	-84.87
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000323652	0	35	-2.0	-103.81	338.30	3.84	-99.97
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000323653	0	34	-2.0	-98.58	331.62	1.85	-96.73
CNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1Cl	REAL300000323654	0	39	-2.0	-93.13	362.84	3.59	-89.54
CNC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000323655	0	32	-2.0	-89.63	334.79	2.79	-86.84
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)NC)=C2)C=C(C(=O)[O-])O1	REAL300000323656	0	38	-2.0	-95.96	356.77	3.79	-92.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=CC=C1F	REAL300000323657	1	34	-2.0	-108.05	324.79	3.45	-104.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C1	REAL300000323658	1	34	-2.0	-98.17	320.23	3.43	-94.74
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323659	1	34	-2.0	-110.70	320.24	3.42	-107.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CO2)=C1	REAL300000323660	0	38	-2.0	-115.75	348.38	3.22	-112.53
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C1	REAL300000323661	1	38	-2.0	-97.58	351.71	4.72	-92.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C1C(=O)[O-]	REAL300000323662	1	37	-2.0	-111.86	336.26	3.95	-107.91
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323663	0	34	-2.0	-105.80	333.31	3.99	-101.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=CC=C1Cl	REAL300000323664	1	34	-2.0	-106.44	332.77	3.81	-102.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1C	REAL300000323665	1	40	-2.0	-112.92	352.63	4.73	-108.19
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323666	0	34	-2.0	-107.62	325.72	3.48	-104.14
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C1	REAL300000323667	1	40	-2.0	-96.75	363.83	5.01	-91.74
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323668	0	31	-2.0	-104.94	313.42	2.43	-102.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CO2)=C1	REAL300000323669	1	37	-2.0	-111.02	335.67	4.20	-106.82
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C1C(=O)[O-]	REAL300000323671	0	35	-2.0	-109.08	326.89	2.76	-106.32
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323673	0	34	-2.0	-101.10	329.36	3.11	-97.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=CS1	REAL300000323675	0	31	-2.0	-106.34	311.89	2.45	-103.89
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323677	1	44	-2.0	-114.97	375.50	6.03	-108.94
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CO2)=C1	REAL300000323678	1	43	-2.0	-113.11	374.15	5.43	-107.68
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CO2)=C1	REAL300000323679	1	40	-2.0	-109.12	350.38	5.13	-103.99
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CO2)=C1	REAL300000323680	0	41	-2.0	-116.67	370.67	3.99	-112.68
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323681	0	37	-2.0	-111.45	351.11	3.99	-107.46
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323681	1	36	-3.0	-186.61	348.64	3.98	-182.63
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323682	1	41	-2.0	-115.25	364.49	5.31	-109.94
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C(C(=O)[O-])O1	REAL300000323683	0	34	-2.0	-104.14	323.25	2.55	-101.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323684	0	38	-2.0	-111.77	349.23	2.51	-109.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C(Cl)C=C1F	REAL300000323685	0	34	-2.0	-102.45	337.83	4.01	-98.44
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CO2)=C1	REAL300000323687	1	37	-2.0	-101.63	340.95	4.24	-97.39
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C1F	REAL300000323688	1	38	-2.0	-95.74	357.53	3.77	-91.97
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C(C(=O)[O-])S1	REAL300000323690	0	34	-2.0	-107.52	328.84	3.31	-104.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C(Cl)=C1	REAL300000323691	0	34	-2.0	-95.63	333.29	3.98	-91.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C1F	REAL300000323692	1	34	-2.0	-97.65	324.77	3.46	-94.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)S1	REAL300000323693	0	31	-2.0	-99.83	312.51	2.55	-97.28
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323694	1	34	-2.0	-101.49	326.64	3.49	-98.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1F	REAL300000323695	0	37	-2.0	-109.06	346.00	4.12	-104.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C(F)=C1	REAL300000323696	0	34	-2.0	-97.67	325.70	3.49	-94.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C1Cl	REAL300000323697	1	34	-2.0	-95.72	332.74	3.82	-91.90
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CO2)=C1	REAL300000323698	1	37	-2.0	-103.29	349.68	4.63	-98.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=CC(F)=C1F	REAL300000323699	1	34	-2.0	-99.56	331.06	3.51	-96.05
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323700	0	36	-2.0	-95.61	348.43	4.09	-91.52
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323701	0	35	-2.0	-109.71	329.96	1.12	-108.59
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323701	1	35	-2.0	-108.61	329.14	1.94	-106.67
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C1	REAL300000323702	1	37	-2.0	-101.39	342.43	4.20	-97.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=CC(Cl)=C1F	REAL300000323703	1	34	-2.0	-101.05	340.94	3.95	-97.10
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CO2)=C1	REAL300000323704	1	37	-2.0	-107.25	330.31	4.06	-103.19
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=CC(C(=O)[O-])=C1F	REAL300000323705	1	37	-2.0	-109.46	345.07	4.07	-105.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=CC(C(=O)[O-])=C1C	REAL300000323707	1	40	-2.0	-115.28	357.04	4.59	-110.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=CC=C1[N+](=O)[O-]	REAL300000323708	0	36	-2.0	-108.88	346.80	4.51	-104.37
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323709	0	34	-2.0	-99.33	332.00	3.55	-95.78
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C1C(=O)[O-]	REAL300000323711	0	37	-2.0	-108.76	341.72	4.02	-104.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1Cl	REAL300000323712	0	37	-2.0	-107.56	352.00	4.56	-103.00
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323713	0	37	-2.0	-116.05	345.28	4.11	-111.94
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C1C(=O)[O-]	REAL300000323714	1	40	-2.0	-112.55	354.47	4.61	-107.94
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CO2)=C1	REAL300000323716	1	37	-2.0	-101.18	350.78	4.68	-96.50
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000323717	1	37	-2.0	-108.26	351.46	4.38	-103.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C1C(=O)[O-]	REAL300000323718	0	38	-2.0	-110.37	348.26	3.63	-106.74
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C1C(=O)[O-]	REAL300000323719	1	37	-2.0	-105.15	353.99	4.49	-100.66
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=CC=C1C(=O)[O-]	REAL300000323720	1	37	-2.0	-98.34	336.24	3.96	-94.38
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CO2)=C1	REAL300000323721	1	37	-2.0	-108.65	339.78	4.26	-104.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1[N+](=O)[O-]	REAL300000323722	0	36	-2.0	-118.33	343.96	5.28	-113.05
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1F	REAL300000323723	0	34	-2.0	-115.30	323.90	3.45	-111.85
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C1C(=O)[O-]	REAL300000323724	1	37	-2.0	-103.35	345.18	4.10	-99.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=CC2=CC=CC=C21	REAL300000323725	1	40	-2.0	-119.03	361.28	5.54	-113.49
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C1	REAL300000323726	0	33	-2.0	-107.34	317.23	1.47	-105.87
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CO2)=C1	REAL300000323727	0	38	-2.0	-102.38	348.44	3.21	-99.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)=C(Cl)O1	REAL300000323728	0	31	-2.0	-98.19	320.39	2.39	-95.80
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=CN=CO4)=C3)C=C2)CC1	REAL300000323729	1	41	-2.0	-104.23	364.22	5.25	-98.98
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=CN=CO4)=C3)C=C2C1	REAL300000323730	1	41	-2.0	-108.80	365.68	5.31	-103.49
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CO3)=C2)C=C(C(=O)[O-])O1	REAL300000323731	0	37	-2.0	-103.88	342.37	3.40	-100.48
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CC=C1S(N)(=O)=O	REAL300000323732	1	36	-2.0	-103.78	337.63	0.79	-102.99
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1S(N)(=O)=O	REAL300000323733	1	36	-2.0	-95.73	333.45	0.76	-94.97
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1S(N)(=O)=O	REAL300000323734	1	36	-2.0	-106.14	333.10	0.77	-105.37
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=CC=C1S(N)(=O)=O	REAL300000323735	1	40	-2.0	-95.55	364.91	2.04	-93.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2C)C=C1C(=O)[O-]	REAL300000323736	1	39	-2.0	-109.97	349.47	1.27	-108.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2C)=C1C	REAL300000323737	1	42	-2.0	-109.27	366.93	2.13	-107.14
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CC=C1S(N)(=O)=O	REAL300000323738	0	36	-2.0	-103.98	338.57	0.83	-103.15
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=CC=C1S(N)(=O)=O	REAL300000323739	1	42	-2.0	-94.01	376.66	2.36	-91.65
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC=C1S(N)(=O)=O	REAL300000323740	0	33	-2.0	-101.51	326.65	-0.24	-101.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(N)(=O)=O)=C1C	REAL300000323741	1	39	-2.0	-107.88	348.88	1.54	-106.34
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC=C1S(N)(=O)=O	REAL300000323742	0	37	-2.0	-105.46	340.11	0.09	-105.37
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2C)=C1	REAL300000323743	0	36	-2.0	-98.87	342.57	0.43	-98.44
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2C)C=C1C(=O)[O-]	REAL300000323744	1	42	-2.0	-108.36	364.54	2.09	-106.27
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1S(N)(=O)=O	REAL300000323745	0	33	-2.0	-102.17	324.74	-0.20	-102.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(N)(=O)=O)=C1C	REAL300000323746	1	42	-2.0	-105.65	362.62	2.48	-103.17
CC1=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2C)C=C(C(=O)[O-])O1	REAL300000323747	0	36	-2.0	-101.47	336.47	-0.11	-101.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2C)C=C(C(=O)[O-])S1	REAL300000323748	0	36	-2.0	-103.87	342.77	0.65	-103.22
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC=C1S(N)(=O)=O	REAL300000323749	1	36	-2.0	-94.99	337.59	0.81	-94.18
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC=C1S(N)(=O)=O	REAL300000323750	0	33	-2.0	-97.12	325.34	-0.10	-97.22
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC=C1S(N)(=O)=O	REAL300000323751	1	36	-2.0	-99.67	339.87	0.82	-98.85
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC=C1S(N)(=O)=O	REAL300000323752	0	36	-2.0	-94.70	338.55	0.84	-93.86
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CC=C1S(N)(=O)=O	REAL300000323753	0	37	-2.0	-107.13	343.16	-1.54	-108.67
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC=C1S(N)(=O)=O	REAL300000323753	1	37	-2.0	-111.35	336.63	-0.68	-112.03
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CC=C1S(N)(=O)=O	REAL300000323754	1	39	-2.0	-99.01	355.26	1.56	-97.45
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=CC=C1S(N)(=O)=O	REAL300000323755	1	39	-2.0	-104.62	343.50	1.38	-103.24
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(S(N)(=O)=O)=C1C	REAL300000323756	1	39	-2.0	-95.78	348.87	1.52	-94.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2C)=CC(C(=O)[O-])=C1C	REAL300000323757	1	42	-2.0	-108.92	366.54	1.85	-107.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2C)C(C)=C1C(=O)[O-]	REAL300000323758	1	42	-2.0	-109.06	367.00	2.16	-106.90
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2C)C=C1C(=O)[O-]	REAL300000323759	1	42	-2.0	-110.65	367.78	1.93	-108.72
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2C)C=C1C(=O)[O-]	REAL300000323760	0	40	-2.0	-108.30	361.41	0.95	-107.35
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2C)=CC=C1C(=O)[O-]	REAL300000323761	1	39	-2.0	-95.73	349.47	1.29	-94.44
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CC=C1S(N)(=O)=O	REAL300000323762	0	36	-2.0	-112.57	337.46	0.83	-111.74
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1S(N)(=O)=O	REAL300000323763	0	35	-2.0	-104.97	330.45	-1.19	-106.16
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC=C1S(N)(=O)=O	REAL300000323764	0	33	-2.0	-95.57	333.56	-0.26	-95.83
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2C)C=C(C(=O)[O-])O1	REAL300000323765	0	39	-2.0	-100.63	355.21	0.75	-99.88
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000323766	0	42	-2.0	-115.31	376.33	5.24	-110.07
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000323767	0	42	-2.0	-104.40	371.78	5.21	-99.19
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000323768	0	42	-2.0	-117.27	371.79	5.21	-112.06
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000323769	0	46	-2.0	-122.47	399.94	5.01	-117.46
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000323770	0	46	-2.0	-103.32	403.24	6.50	-96.82
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000323771	0	45	-2.0	-118.67	387.82	5.74	-112.93
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000323772	0	42	-2.0	-112.22	384.87	5.79	-106.43
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000323773	0	42	-2.0	-113.85	384.30	5.60	-108.25
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000323774	0	48	-2.0	-119.12	404.90	6.54	-112.58
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000323775	0	42	-2.0	-114.63	377.27	5.26	-109.37
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000323776	0	48	-2.0	-102.69	415.37	6.79	-95.90
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000323777	0	39	-2.0	-111.34	364.98	4.23	-107.11
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000323778	0	45	-2.0	-117.16	387.23	5.99	-111.17
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000323779	0	46	-2.0	-102.04	402.86	5.49	-96.55
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000323780	0	43	-2.0	-115.55	378.44	4.55	-111.00
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000323781	1	46	-2.0	-117.23	396.00	4.02	-113.21
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000323782	0	42	-2.0	-107.91	380.93	4.89	-103.02
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000323783	0	48	-2.0	-118.58	403.25	6.53	-112.05
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000323784	0	39	-2.0	-113.55	363.44	4.24	-109.31
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000323785	0	46	-2.0	-124.21	399.07	5.28	-118.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1OCCOC	REAL300000323786	0	48	-2.0	-114.44	401.92	6.94	-107.50
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000323787	0	42	-2.0	-110.09	374.81	4.34	-105.75
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000323788	0	46	-2.0	-118.97	400.76	4.30	-114.67
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000323789	0	45	-2.0	-107.64	392.50	6.01	-101.63
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000323790	0	42	-2.0	-113.46	380.42	5.10	-108.36
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000323791	0	42	-2.0	-101.70	384.85	5.78	-95.92
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000323792	0	42	-2.0	-103.76	376.31	5.25	-98.51
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000323793	0	39	-2.0	-106.54	364.05	4.33	-102.21
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000323794	0	42	-2.0	-108.76	378.21	5.26	-103.50
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000323795	0	45	-2.0	-116.29	397.54	5.90	-110.39
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000323796	0	42	-2.0	-104.30	377.26	5.28	-99.02
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000323797	0	42	-2.0	-101.88	384.28	5.61	-96.27
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000323798	0	43	-2.0	-115.75	381.51	2.90	-112.85
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000323799	0	45	-2.0	-107.93	393.97	5.98	-101.95
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000323800	0	45	-2.0	-114.52	381.84	5.84	-108.68
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000323801	0	45	-2.0	-116.87	396.63	5.86	-111.01
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000323802	0	45	-2.0	-103.97	387.21	5.98	-97.99
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000323803	0	48	-2.0	-120.81	404.67	6.28	-114.53
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000323804	0	48	-2.0	-118.80	406.27	6.60	-112.20
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000323805	0	45	-2.0	-115.99	393.27	5.81	-110.18
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000323806	0	45	-2.0	-124.16	396.83	5.90	-118.26
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OCCOC)C=C1C(=O)[O-]	REAL300000323807	0	48	-2.0	-120.55	406.03	6.40	-114.15
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OCCOC)C=C1C(=O)[O-]	REAL300000323808	0	46	-2.0	-116.91	399.82	5.42	-111.49
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000323809	0	45	-2.0	-106.21	391.85	5.85	-100.36
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000323810	0	45	-2.0	-113.96	391.75	6.02	-107.94
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000323811	0	42	-2.0	-123.17	375.44	5.23	-117.94
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000323812	0	45	-2.0	-108.94	392.96	5.78	-103.16
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000323813	0	41	-2.0	-116.13	368.01	3.32	-112.81
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000323814	0	46	-2.0	-108.69	400.00	5.00	-103.69
COCCOC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000323815	0	39	-2.0	-104.39	371.90	4.17	-100.22
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OCCOC)C=C(C(=O)[O-])O1	REAL300000323816	0	45	-2.0	-109.35	393.93	5.19	-104.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCN3C=NC=N3)=C2)C=C1	REAL300000323817	1	41	-2.0	-98.82	374.18	7.71	-91.11
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OCCN3C=NC=N3)=C2)=C1	REAL300000323818	1	41	-2.0	-110.99	374.18	7.70	-103.29
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OCCN3C=NC=N3)=C2)=C1	REAL300000323819	0	38	-2.0	-105.32	367.35	6.71	-98.61
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCCN3C=NC=N3)=C2)C=C1C(=O)[O-]	REAL300000323820	0	42	-2.0	-109.43	380.83	7.05	-102.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCN3C=NC=N3)=C2)=CS1	REAL300000323821	0	38	-2.0	-106.80	365.83	6.73	-100.07
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCCN3C=NC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000323822	0	41	-2.0	-104.95	377.18	6.83	-98.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCN3C=NC=N3)=C2)S1	REAL300000323823	0	38	-2.0	-100.67	366.44	6.83	-93.84
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OCCN3C=NC=N3)=C2)=C1	REAL300000323824	0	40	-2.0	-108.14	371.16	5.75	-102.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN4C=CC=NC4=N3)=C2)C=C1	REAL300000323825	1	40	-2.0	-118.83	366.37	9.72	-109.11
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN4C=CC=NC4=N3)=C2)=C1	REAL300000323826	1	40	-2.0	-131.91	366.39	9.71	-122.20
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN4C=CC=NC4=N3)=C2)C=C1C(=O)[O-]	REAL300000323827	0	41	-2.0	-130.33	373.03	9.06	-121.27
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN4C=CC=NC4=N3)=C2)C=C(C(=O)[O-])O1	REAL300000323828	0	40	-2.0	-124.27	369.35	8.86	-115.41
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=CN4C=CC=NC4=N3)=C2)=C1	REAL300000323829	0	39	-2.0	-127.29	363.31	7.77	-119.52
NC(=O)C1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000323830	0	32	-2.0	-99.82	318.98	2.71	-97.11
NC(=O)C1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000323831	0	32	-2.0	-112.18	318.99	2.70	-109.48
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)=N1	REAL300000323832	1	40	-2.0	-110.48	369.40	4.95	-105.53
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=N1	REAL300000323833	1	40	-2.0	-100.50	364.85	4.93	-95.57
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000323834	1	40	-2.0	-110.61	363.40	4.86	-105.75
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)=N1	REAL300000323835	1	44	-2.0	-99.72	396.32	6.22	-93.50
CC1=C(C)OC(C2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C2)=N1	REAL300000323836	1	43	-2.0	-114.21	380.87	5.45	-108.76
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)=N1	REAL300000323837	0	40	-2.0	-109.67	370.33	4.98	-104.69
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=N1	REAL300000323838	0	37	-2.0	-107.28	358.04	3.93	-103.35
CC1=C(C)OC(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C2)=N1	REAL300000323839	1	43	-2.0	-112.89	380.29	5.70	-107.19
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000323840	0	41	-2.0	-111.48	371.51	4.28	-107.20
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=NC(C)=C(C)O3)=C2)=C1	REAL300000323841	0	40	-2.0	-103.43	373.98	4.61	-98.82
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=N1	REAL300000323842	0	37	-2.0	-106.30	355.05	3.89	-102.41
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)=N1	REAL300000323843	0	40	-2.0	-106.21	367.87	4.05	-102.16
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=C2)=N1	REAL300000323844	0	40	-2.0	-109.47	373.46	4.81	-104.66
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)=N1	REAL300000323845	1	40	-2.0	-99.97	369.38	4.96	-95.01
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=N1	REAL300000323846	0	37	-2.0	-102.18	357.13	4.05	-98.13
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000323847	1	40	-2.0	-101.46	369.80	4.93	-96.53
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)=N1	REAL300000323848	0	40	-2.0	-100.02	370.32	4.99	-95.03
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)=N1	REAL300000323849	0	41	-2.0	-111.46	374.56	2.65	-108.81
CC1=C(C)OC(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)=N1	REAL300000323849	1	41	-2.0	-111.46	373.77	3.43	-108.03
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)=N1	REAL300000323850	1	43	-2.0	-101.31	385.57	5.65	-95.66
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)=N1	REAL300000323851	1	43	-2.0	-110.04	374.93	5.56	-104.48
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC(C)=C(C)O3)=C2)C=C1C(=O)[O-]	REAL300000323853	0	44	-2.0	-112.77	392.88	5.14	-107.63
CC1=C(C)OC(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C2)=N1	REAL300000323854	1	43	-2.0	-98.30	379.40	5.41	-92.89
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)=N1	REAL300000323855	0	40	-2.0	-118.17	368.52	4.96	-113.21
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=N1	REAL300000323856	0	39	-2.0	-109.11	361.84	2.97	-106.14
CC1=C(C)OC(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)=N1	REAL300000323857	0	37	-2.0	-100.38	365.01	3.90	-96.48
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC(C)=C(C)O3)=C2)C=C(C(=O)[O-])O1	REAL300000323858	0	43	-2.0	-105.80	386.99	4.91	-100.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C(Cl)=C2)C=C1	REAL300000323859	1	39	-2.0	-97.69	367.27	1.33	-96.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C(Cl)=C2)=C1	REAL300000323860	1	39	-2.0	-109.68	367.28	1.32	-108.36
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCO)C(Cl)=C2)=C1	REAL300000323861	0	38	-2.0	-101.10	364.27	-0.61	-101.71
CCS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000323864	0	41	-2.0	-109.08	374.51	1.49	-107.59
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=CC=C1F	REAL300000323865	0	33	-2.0	-108.42	336.40	2.96	-105.46
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])=CC=C1F	REAL300000323865	1	32	-3.0	-187.86	332.83	3.97	-183.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C=C1	REAL300000323866	0	33	-2.0	-99.18	331.84	2.94	-96.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C=C1	REAL300000323866	1	32	-3.0	-176.33	328.29	3.95	-172.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=C1	REAL300000323867	0	33	-2.0	-111.33	331.87	2.93	-108.40
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])=C1	REAL300000323867	1	32	-3.0	-191.23	328.30	3.94	-187.29
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C=C1	REAL300000323868	0	37	-2.0	-98.24	363.32	4.23	-94.01
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C=C1	REAL300000323868	1	36	-3.0	-174.96	359.75	5.24	-169.72
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000323869	0	36	-2.0	-111.61	347.89	3.47	-108.14
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C=C1C(=O)[O-]	REAL300000323869	1	35	-3.0	-193.02	344.33	4.48	-188.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=C1C	REAL300000323870	0	39	-2.0	-112.43	364.54	4.20	-108.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])=C1C	REAL300000323870	1	38	-3.0	-189.94	360.98	5.21	-184.73
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=C1	REAL300000323871	0	33	-2.0	-107.03	337.34	3.00	-104.03
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])=C1	REAL300000323871	1	32	-3.0	-185.80	333.78	4.01	-181.79
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C=C1	REAL300000323872	0	39	-2.0	-97.18	375.43	4.52	-92.66
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C=C1	REAL300000323872	1	38	-3.0	-173.97	371.87	5.53	-168.44
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=C1	REAL300000323873	0	30	-2.0	-105.75	325.06	1.96	-103.79
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])=C1	REAL300000323873	1	29	-3.0	-184.00	321.49	2.97	-181.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)C=C1O	REAL300000323874	0	36	-2.0	-110.37	347.30	3.70	-106.67
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300000323874	1	35	-3.0	-187.81	343.74	4.72	-183.09
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000323875	0	34	-2.0	-110.09	338.52	2.29	-107.80
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C=C1C(=O)[O-]	REAL300000323875	1	33	-3.0	-189.29	334.94	3.30	-185.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=C1	REAL300000323876	0	33	-2.0	-101.61	340.98	2.62	-98.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])=C1	REAL300000323876	1	32	-3.0	-179.60	337.42	3.63	-175.97
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000323877	0	39	-2.0	-111.76	362.93	4.20	-107.56
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C=C1C(=O)[O-]	REAL300000323877	1	38	-3.0	-189.73	359.37	5.21	-184.52
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=CS1	REAL300000323878	0	30	-2.0	-107.18	323.52	1.98	-105.20
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])=CS1	REAL300000323878	1	29	-3.0	-185.96	319.95	2.98	-182.98
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)C=C1O	REAL300000323879	0	39	-2.0	-108.15	362.00	4.45	-103.70
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300000323879	1	38	-3.0	-185.04	358.43	5.46	-179.58
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C=C(C(=O)[O-])O1	REAL300000323880	0	33	-2.0	-104.38	334.88	2.08	-102.30
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C=C(C(=O)[O-])O1	REAL300000323880	1	32	-3.0	-180.04	331.32	3.09	-176.95
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C=C(C(=O)[O-])S1	REAL300000323881	0	33	-2.0	-107.17	340.49	2.83	-104.34
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C=C(C(=O)[O-])S1	REAL300000323881	1	32	-3.0	-183.78	336.90	3.84	-179.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C=C1F	REAL300000323882	0	33	-2.0	-98.97	336.38	2.97	-96.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C=C1F	REAL300000323882	1	32	-3.0	-175.30	332.84	3.98	-171.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)S1	REAL300000323883	0	30	-2.0	-100.52	324.14	2.06	-98.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])S1	REAL300000323883	1	29	-3.0	-178.05	320.57	3.07	-174.98
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=C1	REAL300000323884	0	33	-2.0	-102.42	338.27	3.00	-99.42
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])=C1	REAL300000323884	1	32	-3.0	-181.24	334.71	4.01	-177.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C(F)=C1	REAL300000323885	0	33	-2.0	-98.53	337.35	3.00	-95.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C(F)=C1	REAL300000323885	1	32	-3.0	-176.80	333.79	4.01	-172.79
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=C1	REAL300000323886	0	34	-2.0	-108.41	341.58	0.66	-107.75
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=C1	REAL300000323886	1	33	-3.0	-207.00	338.02	1.54	-205.46
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C=C1	REAL300000323887	0	36	-2.0	-101.16	354.03	3.72	-97.44
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C=C1	REAL300000323887	1	35	-3.0	-178.21	350.47	4.73	-173.48
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)C=C1O	REAL300000323888	0	36	-2.0	-108.25	341.41	3.54	-104.71
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300000323888	1	35	-3.0	-190.98	337.85	4.55	-186.43
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)C=C1O	REAL300000323889	0	36	-2.0	-99.14	347.28	3.70	-95.44
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300000323889	1	35	-3.0	-175.85	343.72	4.71	-171.14
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=CC(C(=O)[O-])=C1C	REAL300000323890	0	39	-2.0	-115.06	368.67	4.10	-110.96
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])=CC(C(=O)[O-])=C1C	REAL300000323890	1	38	-3.0	-196.93	365.10	5.11	-191.82
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C(C)=C1C(=O)[O-]	REAL300000323891	0	39	-2.0	-112.71	365.26	4.26	-108.45
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C(C)=C1C(=O)[O-]	REAL300000323891	1	38	-3.0	-195.90	362.78	5.32	-190.58
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000323892	0	39	-2.0	-112.16	366.11	4.12	-108.04
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C=C1C(=O)[O-]	REAL300000323892	1	38	-3.0	-193.96	362.55	5.13	-188.83
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000323893	0	37	-2.0	-111.35	359.90	3.15	-108.20
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C=C1C(=O)[O-]	REAL300000323893	1	36	-3.0	-190.87	356.33	4.16	-186.71
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=CC=C1C(=O)[O-]	REAL300000323894	0	36	-2.0	-99.23	347.87	3.48	-95.75
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])=CC=C1C(=O)[O-]	REAL300000323894	1	35	-3.0	-176.73	344.31	4.49	-172.24
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=CC=C1	REAL300000323895	0	33	-2.0	-116.11	335.53	2.97	-113.14
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])=CC=C1	REAL300000323895	1	32	-3.0	-200.25	331.92	3.97	-196.28
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=C1	REAL300000323896	0	32	-2.0	-108.80	328.09	1.06	-107.74
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])=C1	REAL300000323896	1	31	-3.0	-189.04	324.52	2.08	-186.96
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)=C(Cl)O1	REAL300000323897	0	30	-2.0	-98.83	332.01	1.91	-96.92
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])=C(Cl)O1	REAL300000323897	1	29	-3.0	-174.94	328.45	2.92	-172.02
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2O)C=C(C(=O)[O-])O1	REAL300000323898	0	36	-2.0	-103.88	353.99	2.86	-101.02
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2[O-])C=C(C(=O)[O-])O1	REAL300000323898	1	35	-3.0	-179.46	350.43	3.87	-175.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CC=C1F	REAL300000323899	1	34	-2.0	-100.46	320.98	2.26	-98.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1	REAL300000323900	1	34	-2.0	-91.26	316.42	2.24	-89.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CC=C1	REAL300000323901	1	34	-2.0	-103.14	316.45	2.23	-100.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)COC2=C1	REAL300000323902	0	38	-2.0	-108.10	344.59	2.03	-106.07
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1	REAL300000323903	1	38	-2.0	-90.86	347.89	3.53	-87.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1C(=O)[O-]	REAL300000323904	1	37	-2.0	-105.49	336.52	2.88	-102.61
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000323905	0	34	-2.0	-98.72	329.51	2.80	-95.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CC=C1Cl	REAL300000323906	1	34	-2.0	-98.66	328.95	2.62	-96.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C1C	REAL300000323907	1	40	-2.0	-105.90	348.84	3.54	-102.36
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000323908	0	34	-2.0	-99.99	321.92	2.29	-97.70
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1	REAL300000323909	1	40	-2.0	-89.96	360.01	3.82	-86.14
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000323910	0	31	-2.0	-97.67	309.63	1.25	-96.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)COC2=C1	REAL300000323911	1	37	-2.0	-104.00	331.88	3.01	-100.99
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1C(=O)[O-]	REAL300000323913	0	35	-2.0	-101.62	323.09	1.59	-100.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000323915	0	34	-2.0	-93.75	325.57	1.92	-91.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CS1	REAL300000323917	0	31	-2.0	-98.68	308.10	1.26	-97.42
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)COC2=C1	REAL300000323919	1	43	-2.0	-105.94	370.35	4.24	-101.70
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)COC2=C1	REAL300000323920	1	40	-2.0	-102.54	346.59	3.96	-98.58
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)COC2=C1	REAL300000323921	0	41	-2.0	-108.53	366.88	2.80	-105.73
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3NC(=O)COC3=C2)=CC(C(=O)[O-])=C1	REAL300000323922	0	37	-2.0	-113.45	351.56	2.65	-110.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CC(C(=O)[O-])=C1	REAL300000323922	1	36	-3.0	-176.96	344.85	2.80	-174.16
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000323923	1	41	-2.0	-107.94	360.71	4.13	-103.81
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C(C(=O)[O-])O1	REAL300000323924	0	34	-2.0	-97.50	319.45	1.37	-96.13
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000323925	0	38	-2.0	-103.78	345.43	1.32	-102.46
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)COC2=C1	REAL300000323927	1	37	-2.0	-94.95	337.17	3.06	-91.89
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1F	REAL300000323928	1	38	-2.0	-89.34	353.74	2.58	-86.76
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C(C(=O)[O-])S1	REAL300000323930	0	34	-2.0	-100.74	325.05	2.12	-98.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C(Cl)=C1	REAL300000323931	0	34	-2.0	-88.87	329.50	2.79	-86.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1F	REAL300000323932	1	34	-2.0	-90.99	320.97	2.27	-88.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)S1	REAL300000323933	0	31	-2.0	-92.69	308.72	1.36	-91.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CC(F)=C1	REAL300000323934	1	34	-2.0	-94.27	322.85	2.30	-91.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C1F	REAL300000323935	0	37	-2.0	-101.34	342.20	2.94	-98.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C(F)=C1	REAL300000323936	0	34	-2.0	-90.38	321.91	2.30	-88.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1Cl	REAL300000323937	1	34	-2.0	-88.91	328.94	2.63	-86.28
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)COC2=C1	REAL300000323938	1	37	-2.0	-96.50	345.90	3.43	-93.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CC(F)=C1F	REAL300000323939	1	34	-2.0	-92.42	327.26	2.32	-90.10
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000323940	0	36	-2.0	-88.28	344.64	2.90	-85.38
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000323941	0	35	-2.0	-102.87	326.16	-0.06	-102.93
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3NC(=O)COC3=C2)=C1	REAL300000323941	1	35	-2.0	-100.93	315.20	0.83	-100.10
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1	REAL300000323942	1	37	-2.0	-94.21	338.61	3.02	-91.19
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)COC2=C1	REAL300000323943	1	37	-2.0	-99.16	326.52	2.87	-96.29
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CC(C(=O)[O-])=C1F	REAL300000323944	1	37	-2.0	-102.27	341.30	2.88	-99.39
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CC(C(=O)[O-])=C1C	REAL300000323946	1	40	-2.0	-105.44	349.33	3.30	-102.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CC=C1[N+](=O)[O-]	REAL300000323947	0	36	-2.0	-101.74	343.00	3.32	-98.42
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000323948	0	34	-2.0	-91.92	328.20	2.36	-89.56
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1C(=O)[O-]	REAL300000323950	0	37	-2.0	-101.00	337.92	2.83	-98.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C1Cl	REAL300000323951	0	37	-2.0	-100.40	348.21	3.37	-97.03
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000323952	0	37	-2.0	-107.40	341.46	2.92	-104.48
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1C(=O)[O-]	REAL300000323953	1	40	-2.0	-104.29	350.69	3.42	-100.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1CC(=O)[O-]	REAL300000323954	1	41	-2.0	-104.23	366.91	2.36	-101.87
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)COC2=C1	REAL300000323955	1	37	-2.0	-93.60	346.99	3.49	-90.11
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000323956	1	37	-2.0	-100.81	347.69	3.19	-97.62
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1C(=O)[O-]	REAL300000323957	0	38	-2.0	-102.87	344.47	2.44	-100.43
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1C(=O)[O-]	REAL300000323958	1	37	-2.0	-97.30	350.19	3.30	-94.00
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CC=C1C(=O)[O-]	REAL300000323959	1	37	-2.0	-91.26	332.45	2.78	-88.48
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)COC2=C1	REAL300000323960	1	37	-2.0	-101.78	336.40	3.05	-98.73
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CC=C1	REAL300000323961	0	36	-2.0	-109.70	340.17	4.08	-105.62
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CC=C1	REAL300000323962	0	34	-2.0	-106.65	320.06	2.26	-104.39
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C1C(=O)[O-]	REAL300000323963	1	37	-2.0	-95.57	341.39	2.91	-92.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=CC2=CC=CC=C21	REAL300000323964	1	40	-2.0	-110.55	357.49	4.35	-106.20
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000323965	0	33	-2.0	-99.94	313.43	0.28	-99.66
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)COC2=C1	REAL300000323966	0	38	-2.0	-95.13	344.65	2.03	-93.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)=C(Cl)O1	REAL300000323967	0	31	-2.0	-91.44	316.59	1.21	-90.23
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4NC(=O)COC4=C3)C=C2)CC1	REAL300000323968	1	41	-2.0	-97.53	362.57	4.12	-93.41
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4NC(=O)COC4=C3)C=C2C1	REAL300000323969	1	41	-2.0	-100.77	361.88	4.12	-96.65
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)COC3=C2)C=C(C(=O)[O-])O1	REAL300000323970	0	37	-2.0	-97.40	338.58	2.22	-95.18
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000323971	1	41	-2.0	-105.87	369.46	4.92	-100.95
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000323972	1	41	-2.0	-92.46	364.90	4.90	-87.56
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000323973	1	41	-2.0	-104.15	364.94	4.89	-99.26
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000323974	0	45	-2.0	-108.90	393.07	4.69	-104.21
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000323975	1	45	-2.0	-92.22	396.37	6.19	-86.03
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000323976	1	44	-2.0	-106.46	385.01	5.54	-100.92
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000323977	0	41	-2.0	-104.61	378.00	5.47	-99.14
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000323978	1	41	-2.0	-104.17	377.43	5.29	-98.88
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000323979	1	47	-2.0	-112.04	397.32	6.21	-105.83
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000323980	0	41	-2.0	-106.05	370.40	4.96	-101.09
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000323981	1	47	-2.0	-91.19	408.49	6.48	-84.71
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000323982	0	38	-2.0	-102.63	358.11	3.92	-98.71
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000323983	1	44	-2.0	-104.63	380.36	5.69	-98.94
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000323984	1	45	-2.0	-90.87	395.99	5.18	-85.69
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000323985	0	42	-2.0	-102.68	371.57	4.25	-98.43
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1	REAL300000323986	1	45	-2.0	-105.42	388.71	3.73	-101.69
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000323987	0	41	-2.0	-95.06	374.03	4.58	-90.48
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1	REAL300000323988	1	47	-2.0	-106.03	395.97	6.24	-99.79
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000323989	0	38	-2.0	-104.07	356.57	3.94	-100.13
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300000323990	1	45	-2.0	-110.04	392.22	4.96	-105.08
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1	REAL300000323991	1	47	-2.0	-103.17	395.10	6.62	-96.55
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000323992	0	41	-2.0	-98.32	367.96	4.04	-94.28
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000323993	0	45	-2.0	-109.09	393.89	3.98	-105.11
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000323994	1	44	-2.0	-95.65	385.63	5.72	-89.93
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000323995	0	41	-2.0	-101.44	373.55	4.81	-96.63
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000323996	0	41	-2.0	-93.68	377.98	5.46	-88.22
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000323997	1	41	-2.0	-92.13	369.46	4.93	-87.20
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000323998	0	38	-2.0	-93.89	357.18	4.02	-89.87
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000323999	1	41	-2.0	-95.36	371.33	4.96	-90.40
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000324000	0	44	-2.0	-107.39	390.68	5.60	-101.79
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000324001	0	41	-2.0	-95.19	370.39	4.97	-90.22
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000324002	1	41	-2.0	-90.09	377.43	5.30	-84.79
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000324003	1	41	-2.0	-93.91	375.75	4.99	-88.92
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000324004	0	42	-2.0	-103.47	374.63	2.62	-100.85
CCCNC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000324004	1	42	-2.0	-109.04	373.86	3.42	-105.62
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000324005	1	44	-2.0	-95.22	387.09	5.68	-89.54
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000324006	1	44	-2.0	-102.04	378.21	5.65	-96.39
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000324007	1	44	-2.0	-107.18	389.76	5.55	-101.63
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000324008	1	44	-2.0	-96.48	380.34	5.68	-90.80
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000324009	1	47	-2.0	-111.12	397.80	5.96	-105.16
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000324010	0	41	-2.0	-97.57	376.68	5.02	-92.55
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1	REAL300000324011	1	47	-2.0	-105.21	398.31	6.30	-98.91
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000324012	0	44	-2.0	-107.12	386.40	5.49	-101.63
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000324013	0	44	-2.0	-112.17	389.94	5.59	-106.58
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=C1	REAL300000324014	1	47	-2.0	-109.99	398.86	6.08	-103.91
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000324015	0	45	-2.0	-103.97	392.95	5.12	-98.85
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000324016	1	44	-2.0	-96.10	380.93	5.44	-90.66
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1	REAL300000324017	1	44	-2.0	-107.72	384.88	5.72	-102.00
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000324018	0	41	-2.0	-108.63	368.58	4.92	-103.71
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000324019	1	44	-2.0	-97.00	389.87	5.57	-91.43
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000324020	0	40	-2.0	-105.78	361.13	3.03	-102.75
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000324021	0	45	-2.0	-100.21	393.13	4.70	-95.51
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000324022	0	38	-2.0	-92.39	365.08	3.87	-88.52
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000324023	0	44	-2.0	-98.17	387.05	4.89	-93.28
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000324024	0	42	-2.0	-107.00	371.53	4.27	-102.73
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000324025	0	42	-2.0	-96.08	366.98	4.23	-91.85
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000324026	0	42	-2.0	-129.65	365.15	4.17	-125.48
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000324027	0	45	-2.0	-128.58	384.25	4.74	-123.84
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000324028	0	42	-2.0	-124.03	372.13	4.27	-119.76
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000324029	0	39	-2.0	-120.05	360.18	3.21	-116.84
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000324030	0	45	-2.0	-127.08	382.09	4.99	-122.09
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000324031	0	43	-2.0	-128.50	370.74	3.39	-125.11
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000324032	0	42	-2.0	-120.49	373.20	3.71	-116.78
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000324033	0	39	-2.0	-122.64	358.65	3.23	-119.41
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000324034	0	42	-2.0	-124.01	367.11	3.17	-120.84
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000324035	0	42	-2.0	-123.63	377.09	4.06	-119.57
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000324036	0	42	-2.0	-115.96	368.62	4.08	-111.88
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000324037	0	39	-2.0	-115.40	359.26	3.31	-112.09
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000324038	0	42	-2.0	-117.64	373.40	4.26	-113.38
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000324039	0	42	-2.0	-112.91	372.45	4.26	-108.65
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000324040	0	43	-2.0	-127.91	376.67	1.92	-125.99
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000324041	0	45	-2.0	-118.04	389.57	4.95	-113.09
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000324042	0	45	-2.0	-118.53	379.44	4.90	-113.63
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000324043	0	45	-2.0	-113.32	382.81	4.95	-108.37
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)N(C)C)=CC=C2OC)C=C1C(=O)[O-]	REAL300000324044	0	46	-2.0	-126.40	394.60	4.41	-121.99
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000324045	0	45	-2.0	-117.33	380.60	4.60	-112.73
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000324046	0	42	-2.0	-131.35	371.02	4.20	-127.15
COC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000324047	0	41	-2.0	-104.47	363.95	2.29	-102.18
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)N(C)C)=CC=C2OC)C=C(C(=O)[O-])O1	REAL300000324048	0	45	-2.0	-119.64	389.12	4.18	-115.46
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1	REAL300000324049	0	38	-2.0	-88.02	348.86	2.36	-85.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC=C1F	REAL300000324050	1	31	-2.0	-103.24	296.93	3.79	-99.45
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NNC=C21	REAL300000324051	0	39	-2.0	-105.41	352.01	4.86	-100.55
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324052	0	31	-2.0	-101.21	308.81	4.48	-96.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1	REAL300000324053	1	31	-2.0	-93.55	292.38	3.77	-89.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324054	0	31	-2.0	-105.54	292.40	3.76	-101.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NNC=C21	REAL300000324055	0	35	-2.0	-111.52	320.54	3.57	-107.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC=C1Br	REAL300000324056	0	31	-2.0	-101.08	308.64	4.25	-96.83
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1	REAL300000324057	0	35	-2.0	-93.83	323.85	5.07	-88.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1C(=O)[O-]	REAL300000324058	1	34	-2.0	-106.58	308.41	4.30	-102.28
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324059	0	31	-2.0	-101.82	305.46	4.35	-97.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC=C1Cl	REAL300000324060	0	31	-2.0	-101.50	304.90	4.16	-97.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C(Cl)C=C1Cl	REAL300000324061	0	31	-2.0	-97.51	317.96	4.72	-92.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1C	REAL300000324062	1	37	-2.0	-109.19	324.78	5.07	-104.12
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324063	0	31	-2.0	-103.29	297.87	3.84	-99.45
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1	REAL300000324064	0	37	-2.0	-93.17	335.97	5.35	-87.82
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324065	0	28	-2.0	-100.14	285.58	2.79	-97.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NNC=C21	REAL300000324066	1	34	-2.0	-107.45	307.82	4.56	-102.89
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1	REAL300000324067	1	35	-2.0	-92.46	323.47	4.05	-88.41
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1C(=O)[O-]	REAL300000324068	0	32	-2.0	-103.86	299.04	3.12	-100.74
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NNC=C21	REAL300000324069	1	35	-2.0	-107.90	316.60	2.58	-105.32
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324070	0	31	-2.0	-96.11	301.50	3.45	-92.66
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1C(=O)[O-]	REAL300000324071	1	37	-2.0	-108.58	323.84	5.09	-103.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CS1	REAL300000324072	0	28	-2.0	-101.61	284.04	2.80	-98.81
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC(C(=O)[O-])=C1OC	REAL300000324073	1	39	-2.0	-105.79	350.72	3.58	-102.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1C(=O)[O-]	REAL300000324074	1	35	-2.0	-111.41	319.68	3.84	-107.57
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324075	0	41	-2.0	-110.85	347.62	6.40	-104.45
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NNC=C21	REAL300000324076	0	40	-2.0	-109.40	346.29	5.78	-103.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NNC=C21	REAL300000324077	0	37	-2.0	-106.02	322.52	5.48	-100.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NNC=C21	REAL300000324078	0	38	-2.0	-111.00	342.82	4.34	-106.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC(C(=O)[O-])=C1	REAL300000324079	0	33	-3.0	-178.53	320.80	4.34	-174.19
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=NNC=C32)=CC(C(=O)[O-])=C1	REAL300000324079	1	34	-2.0	-112.14	321.20	4.23	-107.91
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324080	0	38	-2.0	-111.21	336.64	5.67	-105.54
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C(C(=O)[O-])O1	REAL300000324081	0	31	-2.0	-100.32	295.40	2.91	-97.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC2=C1OCCO2	REAL300000324082	1	37	-2.0	-110.14	334.57	3.55	-106.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324083	0	35	-2.0	-105.26	321.31	2.85	-102.41
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=NNC=C43)C=C2C1	REAL300000324084	1	39	-2.0	-92.91	345.31	4.38	-88.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC(Cl)=C1Cl	REAL300000324085	0	31	-2.0	-95.32	320.06	4.62	-90.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C(Cl)C=C1F	REAL300000324086	0	31	-2.0	-98.73	309.99	4.35	-94.38
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1Cl	REAL300000324087	1	35	-2.0	-91.07	339.49	4.59	-86.48
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC=C1OCC(=O)[O-]	REAL300000324088	1	38	-2.0	-92.82	343.55	4.75	-88.07
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1F	REAL300000324089	0	41	-2.0	-92.26	372.13	5.01	-87.25
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NNC=C21	REAL300000324090	0	34	-2.0	-98.15	312.69	4.60	-93.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC=C1OCCCC(=O)[O-]	REAL300000324091	1	44	-2.0	-93.26	386.00	5.68	-87.58
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1F	REAL300000324092	0	35	-2.0	-92.07	329.68	4.11	-87.96
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1C(=O)[O-]	REAL300000324093	1	38	-2.0	-112.06	341.53	4.74	-107.32
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C(C(=O)[O-])S1	REAL300000324094	0	31	-2.0	-103.91	301.02	3.66	-100.25
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324095	0	31	-2.0	-95.57	320.62	4.78	-90.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C(Cl)=C1	REAL300000324096	0	31	-2.0	-91.05	305.44	4.33	-86.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C(Br)=C1	REAL300000324097	0	31	-2.0	-90.56	308.79	4.47	-86.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1F	REAL300000324098	0	31	-2.0	-93.16	296.93	3.81	-89.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)S1	REAL300000324099	0	28	-2.0	-95.14	284.65	2.90	-92.24
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324100	0	31	-2.0	-96.57	298.80	3.84	-92.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1F	REAL300000324101	0	34	-2.0	-104.54	318.15	4.47	-100.07
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C(Cl)C=C1C(=O)[O-]	REAL300000324102	0	35	-2.0	-95.53	332.70	4.39	-91.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C(F)=C1	REAL300000324103	0	31	-2.0	-92.66	297.86	3.84	-88.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1Cl	REAL300000324104	0	31	-2.0	-91.14	304.90	4.17	-86.97
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NNC=C21	REAL300000324105	0	34	-2.0	-99.82	321.42	4.98	-94.84
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1	REAL300000324106	0	39	-2.0	-90.88	356.14	5.17	-85.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1Br	REAL300000324107	1	31	-2.0	-90.66	308.63	4.27	-86.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC(F)=C1F	REAL300000324108	0	31	-2.0	-94.99	303.21	3.87	-91.12
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324109	0	33	-2.0	-90.91	320.58	4.44	-86.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324110	0	32	-2.0	-106.81	302.11	1.49	-105.32
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1	REAL300000324111	0	34	-2.0	-97.71	314.57	4.55	-93.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC(Cl)=C1F	REAL300000324112	0	31	-2.0	-96.33	313.10	4.30	-92.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=NNC=C21	REAL300000324113	1	34	-2.0	-100.94	302.43	4.40	-96.54
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC(C(=O)[O-])=C1F	REAL300000324114	1	34	-2.0	-104.46	317.24	4.41	-100.05
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=NNC=C21	REAL300000324115	1	34	-2.0	-93.98	307.80	4.54	-89.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC(C(=O)[O-])=C1C	REAL300000324116	1	37	-2.0	-108.28	325.27	4.83	-103.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC=C1[N+](=O)[O-]	REAL300000324117	0	33	-2.0	-104.23	318.95	4.86	-99.37
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324118	0	31	-2.0	-94.91	304.13	3.90	-91.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C(C)=C1C(=O)[O-]	REAL300000324119	1	37	-2.0	-104.95	326.87	5.16	-99.79
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1C(=O)[O-]	REAL300000324120	0	34	-2.0	-105.43	317.71	4.46	-100.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1Cl	REAL300000324121	0	34	-2.0	-103.51	324.15	4.90	-98.61
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324122	0	34	-2.0	-109.12	317.43	4.46	-104.66
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1C(=O)[O-]	REAL300000324123	1	37	-2.0	-107.18	326.72	4.95	-102.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1CC(=O)[O-]	REAL300000324124	1	38	-2.0	-106.76	342.87	3.89	-102.87
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=NNC=C21	REAL300000324125	0	34	-2.0	-94.55	318.65	4.95	-89.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1C(F)(F)F	REAL300000324126	1	34	-2.0	-90.21	322.52	4.57	-85.64
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC(C(=O)[O-])=C1Cl	REAL300000324127	0	34	-2.0	-103.13	323.63	4.72	-98.41
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324128	0	31	-2.0	-98.33	313.68	4.39	-93.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1C(=O)[O-]	REAL300000324129	0	35	-2.0	-105.11	320.42	3.98	-101.13
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C(C)=C1CC(=O)[O-]	REAL300000324130	1	43	-2.0	-104.50	357.54	6.64	-97.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C(F)C(Cl)=C1F	REAL300000324131	0	31	-2.0	-93.78	318.00	4.33	-89.45
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1C(=O)[O-]	REAL300000324132	0	34	-2.0	-99.97	326.16	4.83	-95.14
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C(C(=O)[O-])S1	REAL300000324133	0	40	-2.0	-103.07	342.27	5.86	-97.21
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1C(=O)[O-]	REAL300000324134	0	35	-2.0	-107.41	332.72	4.40	-103.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC=C1C(=O)[O-]	REAL300000324135	1	34	-2.0	-93.57	308.40	4.32	-89.25
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C([N+](=O)[O-])=C1	REAL300000324136	0	36	-2.0	-98.22	335.64	5.96	-92.26
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NNC=C21	REAL300000324137	1	34	-2.0	-105.31	311.92	4.59	-100.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1[N+](=O)[O-]	REAL300000324138	0	33	-2.0	-111.53	316.13	5.61	-105.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1F	REAL300000324139	0	31	-2.0	-108.47	296.03	3.79	-104.68
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C1C(=O)[O-]	REAL300000324140	0	34	-2.0	-98.28	317.35	4.44	-93.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=CC2=CC=CC=C21	REAL300000324141	0	37	-2.0	-113.33	333.43	5.89	-107.44
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C1	REAL300000324142	0	30	-2.0	-103.54	289.38	1.83	-101.71
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=NNC=C21	REAL300000324143	0	35	-2.0	-97.49	320.59	3.57	-93.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)=C(Cl)O1	REAL300000324144	0	28	-2.0	-94.02	292.50	2.75	-91.27
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=NNC=C43)C=C2)CC1	REAL300000324145	0	38	-2.0	-100.55	338.52	5.65	-94.90
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=NNC=C43)C=C2C1	REAL300000324146	0	38	-2.0	-101.43	336.48	5.63	-95.80
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=NNC=C32)C=C(C(=O)[O-])O1	REAL300000324147	0	34	-2.0	-100.30	314.52	3.76	-96.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)=CC=C1F	REAL300000324148	1	40	-2.0	-112.27	367.87	5.88	-106.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)=C1	REAL300000324150	1	40	-2.0	-114.74	363.34	5.85	-108.89
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)=C1	REAL300000324152	0	40	-2.0	-111.42	368.82	5.92	-105.50
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)=C1	REAL300000324153	0	37	-2.0	-109.13	356.53	4.87	-104.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CN2CCOC2=O)C=C1	REAL300000324154	1	43	-2.0	-114.77	378.77	6.64	-108.13
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)C=C1C(=O)[O-]	REAL300000324155	1	41	-2.0	-113.30	369.99	5.20	-108.10
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)=C1	REAL300000324156	0	40	-2.0	-111.23	372.48	5.54	-105.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)=CS1	REAL300000324157	0	37	-2.0	-110.89	354.99	4.88	-106.01
CC1=C(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000324158	0	40	-2.0	-108.22	366.35	4.99	-103.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)C=C(C(=O)[O-])S1	REAL300000324159	1	40	-2.0	-111.37	371.95	5.74	-105.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)C=C1F	REAL300000324160	1	40	-2.0	-102.22	367.88	5.89	-96.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)S1	REAL300000324161	0	37	-2.0	-104.28	355.61	4.98	-99.30
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)=C1	REAL300000324162	1	40	-2.0	-112.05	369.75	5.92	-106.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)C(F)=C1	REAL300000324163	0	40	-2.0	-107.47	368.81	5.92	-101.55
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)=C1	REAL300000324164	0	41	-2.0	-113.38	373.06	3.57	-109.81
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(CN3CCOC3=O)C=C2)=C1	REAL300000324164	1	41	-2.0	-111.92	372.24	4.35	-107.57
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)C=C1	REAL300000324165	1	43	-2.0	-105.36	385.51	6.63	-98.73
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CN2CCOC2=O)C=C1	REAL300000324166	1	43	-2.0	-113.20	377.17	6.59	-106.61
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)C=C1C(=O)[O-]	REAL300000324168	1	44	-2.0	-114.62	391.36	6.07	-108.55
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)=C1F	REAL300000324170	0	40	-2.0	-120.21	366.96	5.88	-114.33
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)=C1	REAL300000324171	0	39	-2.0	-118.93	359.56	3.97	-114.96
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CN3CCOC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000324172	0	43	-2.0	-107.91	385.46	5.84	-102.07
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C)=C1	REAL300000324173	1	45	-2.0	-87.90	393.41	4.58	-83.32
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000324175	0	46	-2.0	-105.52	396.58	7.08	-98.44
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000324178	0	42	-2.0	-112.61	365.10	5.79	-106.82
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C)=C1	REAL300000324181	0	38	-2.0	-102.71	350.03	6.56	-96.15
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1	REAL300000324184	0	38	-2.0	-104.31	342.43	6.05	-98.26
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1	REAL300000324186	0	35	-2.0	-101.16	330.14	5.00	-96.16
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000324189	1	39	-2.0	-105.23	343.59	5.34	-99.89
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=C1	REAL300000324191	0	38	-2.0	-97.17	346.09	5.68	-91.49
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1	REAL300000324193	1	35	-2.0	-102.54	328.60	5.02	-97.52
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000324199	0	45	-2.0	-112.75	387.39	6.56	-106.19
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000324200	0	41	-2.0	-109.03	363.89	6.49	-102.54
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000324202	0	38	-2.0	-100.99	339.96	5.13	-95.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000324204	0	42	-2.0	-107.71	365.92	5.08	-102.63
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(C)=C1	REAL300000324206	1	38	-2.0	-99.45	354.55	6.57	-92.88
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=C1	REAL300000324209	1	41	-2.0	-98.64	357.66	6.81	-91.83
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300000324212	1	38	-2.0	-104.63	345.58	5.89	-98.74
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=C1	REAL300000324213	1	38	-2.0	-91.82	350.01	6.56	-85.26
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1	REAL300000324215	0	35	-2.0	-95.96	329.21	5.12	-90.84
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000324216	1	38	-2.0	-97.66	343.36	6.06	-91.60
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C)=C1	REAL300000324217	0	41	-2.0	-105.80	362.71	6.69	-99.11
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C(C)=C1	REAL300000324218	0	42	-2.0	-96.49	377.27	6.61	-89.88
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300000324219	0	38	-2.0	-93.63	342.42	6.06	-87.57
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(C)=C1	REAL300000324222	1	46	-2.0	-90.69	400.69	7.40	-83.29
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C)=C1	REAL300000324224	1	40	-2.0	-91.76	365.14	6.66	-85.10
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1	REAL300000324225	0	39	-2.0	-104.86	340.60	4.54	-100.32
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1	REAL300000324225	1	39	-2.0	-107.27	346.67	3.69	-103.58
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300000324232	1	40	-2.0	-105.02	363.51	7.08	-97.94
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=C1	REAL300000324233	0	38	-2.0	-95.82	348.69	6.12	-89.70
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C)=C1	REAL300000324235	0	41	-2.0	-105.52	358.43	6.59	-98.93
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C)=C1	REAL300000324236	0	41	-2.0	-104.50	368.74	7.13	-97.37
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000324237	0	41	-2.0	-111.22	361.99	6.68	-104.54
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C)=C1	REAL300000324242	1	42	-2.0	-106.48	364.98	6.20	-100.28
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300000324245	1	47	-2.0	-104.15	386.39	8.13	-96.02
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C(C)=C1	REAL300000324246	1	42	-2.0	-108.35	377.28	6.62	-101.73
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(C)=C1	REAL300000324248	0	43	-2.0	-98.52	380.21	8.18	-90.34
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C)=C1	REAL300000324250	0	40	-2.0	-113.34	360.68	7.84	-105.50
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000324251	0	38	-2.0	-110.45	340.59	6.02	-104.43
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1	REAL300000324254	0	37	-2.0	-104.49	333.17	4.10	-100.39
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300000324255	1	42	-2.0	-98.54	365.16	5.78	-92.76
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000324256	0	35	-2.0	-94.75	337.06	4.96	-89.79
CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000324259	0	41	-2.0	-100.88	359.08	5.98	-94.90
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)=NN1	REAL300000324260	1	37	-2.0	-112.24	347.34	5.76	-106.48
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=NN1	REAL300000324261	1	37	-2.0	-102.22	342.78	5.74	-96.48
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=NN1	REAL300000324262	1	37	-2.0	-114.80	342.79	5.73	-109.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC(C)=N2)=C1	REAL300000324263	0	41	-2.0	-119.78	370.93	5.53	-114.25
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)=NN1	REAL300000324264	1	41	-2.0	-101.56	374.26	7.03	-94.53
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2)=NN1	REAL300000324265	1	40	-2.0	-116.01	358.81	6.27	-109.74
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C2)=NN1	REAL300000324266	0	37	-2.0	-109.91	355.86	6.30	-103.61
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2)=NN1	REAL300000324267	1	37	-2.0	-110.69	355.32	6.12	-104.57
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=C2)=NN1	REAL300000324268	1	43	-2.0	-116.83	375.19	7.04	-109.79
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)=NN1	REAL300000324269	0	37	-2.0	-111.63	348.27	5.79	-105.84
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2)=NN1	REAL300000324270	1	43	-2.0	-100.80	386.37	7.32	-93.48
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=NN1	REAL300000324271	0	34	-2.0	-108.94	335.97	4.74	-104.20
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2)=NN1	REAL300000324272	1	40	-2.0	-115.00	358.22	6.51	-108.49
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2)=NN1	REAL300000324273	1	41	-2.0	-100.31	373.88	6.02	-94.29
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=NN1	REAL300000324274	0	38	-2.0	-113.21	349.44	5.08	-108.13
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=C2)=NN1	REAL300000324276	0	37	-2.0	-105.09	351.91	5.42	-99.67
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=C2)=NN1	REAL300000324277	1	43	-2.0	-116.58	373.86	7.08	-109.50
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=NN1	REAL300000324278	0	34	-2.0	-110.47	334.44	4.76	-105.71
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(C)=N3)=C2)C=C1C(=O)[O-]	REAL300000324279	1	41	-2.0	-120.68	370.07	5.80	-114.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC(C)=N2)=C1	REAL300000324280	1	43	-2.0	-113.11	372.94	7.45	-105.66
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C2)=NN1	REAL300000324281	1	44	-2.0	-119.17	387.03	7.63	-111.54
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)=NN1	REAL300000324282	0	37	-2.0	-108.05	345.79	4.88	-103.17
CC1=NC(C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC=C2)=NN1	REAL300000324283	0	41	-2.0	-116.19	371.77	4.83	-111.36
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=C2)=NN1	REAL300000324284	1	40	-2.0	-105.57	363.50	6.55	-99.02
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=C2)=NN1	REAL300000324285	0	37	-2.0	-111.27	352.48	5.62	-105.65
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2)=NN1	REAL300000324286	0	37	-2.0	-99.84	355.84	6.29	-93.55
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)=NN1	REAL300000324287	1	37	-2.0	-101.64	347.30	5.77	-95.87
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=NN1	REAL300000324288	0	34	-2.0	-103.90	335.06	4.86	-99.04
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)=NN1	REAL300000324289	1	37	-2.0	-105.59	349.19	5.80	-99.79
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=C2)=NN1	REAL300000324290	0	40	-2.0	-113.08	368.55	6.44	-106.64
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)=NN1	REAL300000324291	0	37	-2.0	-101.79	348.25	5.80	-95.99
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2)=NN1	REAL300000324292	1	37	-2.0	-99.73	355.27	6.13	-93.60
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C2)=NN1	REAL300000324293	1	37	-2.0	-103.73	353.61	5.82	-97.91
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)=NN1	REAL300000324294	0	38	-2.0	-113.62	352.49	3.46	-110.16
CC1=NC(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)=NN1	REAL300000324294	1	38	-2.0	-112.73	351.72	4.24	-108.49
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)=NN1	REAL300000324295	1	40	-2.0	-105.33	364.98	6.52	-98.81
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)=NN1	REAL300000324296	1	40	-2.0	-111.63	352.86	6.37	-105.26
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=C2)=NN1	REAL300000324297	1	40	-2.0	-113.58	367.62	6.38	-107.20
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=C2)=NN1	REAL300000324299	1	43	-2.0	-119.39	379.59	6.90	-112.49
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2)=NN1	REAL300000324300	0	37	-2.0	-103.30	354.54	5.86	-97.44
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=C2)=NN1	REAL300000324302	0	40	-2.0	-113.89	368.11	6.43	-107.46
CC1=NC(C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC=C2)=NN1	REAL300000324303	0	40	-2.0	-120.49	367.82	6.42	-114.07
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(C)=N3)=C2)C=C1C(=O)[O-]	REAL300000324304	1	43	-2.0	-116.79	377.03	6.92	-109.87
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(C)=N3)=C2)C=C1C(=O)[O-]	REAL300000324305	0	41	-2.0	-114.55	370.81	5.94	-108.61
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2)=NN1	REAL300000324306	1	40	-2.0	-102.41	358.79	6.28	-96.13
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=C2)=NN1	REAL300000324307	1	40	-2.0	-112.61	362.33	6.57	-106.04
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)=NN1	REAL300000324308	0	37	-2.0	-119.71	346.45	5.77	-113.94
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=C2)=NN1	REAL300000324309	1	40	-2.0	-107.50	367.73	6.41	-101.09
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=NN1	REAL300000324310	0	36	-2.0	-111.15	339.78	3.78	-107.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC(C)=N2)=C1	REAL300000324311	0	41	-2.0	-106.46	370.99	5.53	-100.93
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)=NN1	REAL300000324312	0	34	-2.0	-102.10	342.93	4.72	-97.38
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C2)=NN1	REAL300000324313	1	44	-2.0	-108.43	388.91	7.62	-100.81
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C2)=NN1	REAL300000324314	1	44	-2.0	-113.11	388.23	7.62	-105.49
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(C)=N3)=C2)C=C(C(=O)[O-])O1	REAL300000324315	0	40	-2.0	-107.75	364.92	5.73	-102.02
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)=N1	REAL300000324316	1	36	-2.0	-102.13	342.66	4.39	-97.74
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=N1	REAL300000324317	1	36	-2.0	-92.48	338.08	4.37	-88.11
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000324318	1	36	-2.0	-104.36	338.10	4.36	-100.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC(C)=NO2)=C1	REAL300000324319	0	40	-2.0	-109.12	366.24	4.16	-104.96
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)=N1	REAL300000324320	1	40	-2.0	-91.98	369.57	5.66	-86.32
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000324321	1	39	-2.0	-105.39	354.12	4.89	-100.50
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=C2)=N1	REAL300000324322	1	42	-2.0	-106.86	370.78	5.72	-101.14
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)=N1	REAL300000324323	0	36	-2.0	-101.14	343.58	4.42	-96.72
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2)=N1	REAL300000324324	1	42	-2.0	-90.88	381.67	5.95	-84.93
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=N1	REAL300000324325	0	33	-2.0	-98.85	331.29	3.38	-95.47
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2)=N1	REAL300000324326	1	39	-2.0	-104.76	353.53	5.14	-99.62
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2)=N1	REAL300000324327	1	40	-2.0	-90.64	369.17	4.65	-85.99
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000324328	0	37	-2.0	-102.93	344.75	3.72	-99.21
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=C2)=N1	REAL300000324330	0	36	-2.0	-95.24	347.22	4.05	-91.19
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=C2)=N1	REAL300000324331	1	42	-2.0	-106.14	369.17	5.71	-100.43
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=N1	REAL300000324332	0	33	-2.0	-100.22	329.75	3.39	-96.83
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC(C)=NO3)=C2)C=C1C(=O)[O-]	REAL300000324333	1	40	-2.0	-110.20	365.39	4.43	-105.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC(C)=NO2)=C1	REAL300000324334	1	42	-2.0	-103.12	368.24	6.09	-97.03
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C2)=N1	REAL300000324335	1	43	-2.0	-108.66	382.35	6.26	-102.40
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)=N1	REAL300000324336	0	36	-2.0	-98.38	341.11	3.51	-94.87
CC1=NOC(C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC=C2)=N1	REAL300000324337	0	40	-2.0	-106.16	367.02	3.46	-102.70
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=C2)=N1	REAL300000324338	1	39	-2.0	-95.69	358.81	5.18	-90.51
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=C2)=N1	REAL300000324339	0	36	-2.0	-101.50	346.70	4.25	-97.25
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2)=N1	REAL300000324340	0	36	-2.0	-90.18	351.15	4.92	-85.26
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)=N1	REAL300000324341	1	36	-2.0	-92.18	342.63	4.40	-87.78
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=N1	REAL300000324342	0	33	-2.0	-94.03	330.37	3.49	-90.54
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000324343	1	36	-2.0	-95.41	344.51	4.43	-90.98
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=C2)=N1	REAL300000324344	0	39	-2.0	-102.47	363.87	5.07	-97.40
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)=N1	REAL300000324345	0	36	-2.0	-91.84	343.57	4.43	-87.41
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2)=N1	REAL300000324346	1	36	-2.0	-90.13	350.60	4.76	-85.37
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)=N1	REAL300000324347	0	37	-2.0	-103.47	347.80	2.09	-101.38
CC1=NOC(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)=N1	REAL300000324347	1	37	-2.0	-104.71	346.92	2.95	-101.76
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)=N1	REAL300000324348	1	39	-2.0	-95.20	360.27	5.15	-90.05
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)=N1	REAL300000324349	1	39	-2.0	-101.11	348.14	5.01	-96.10
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=C2)=N1	REAL300000324350	1	39	-2.0	-103.41	362.95	5.01	-98.40
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=C2)=N1	REAL300000324351	1	39	-2.0	-92.65	353.51	5.13	-87.52
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000324352	1	42	-2.0	-107.25	370.99	5.43	-101.82
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2)=N1	REAL300000324353	0	36	-2.0	-93.05	349.86	4.49	-88.56
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=C2)=N1	REAL300000324354	1	42	-2.0	-105.49	371.49	5.77	-99.72
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=C2)=N1	REAL300000324355	0	39	-2.0	-103.29	363.42	5.06	-98.23
CC1=NOC(C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC=C2)=N1	REAL300000324356	0	39	-2.0	-109.68	363.14	5.05	-104.63
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC(C)=NO3)=C2)C=C1C(=O)[O-]	REAL300000324357	1	42	-2.0	-105.98	372.38	5.55	-100.43
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC(C)=NO3)=C2)C=C1C(=O)[O-]	REAL300000324358	0	40	-2.0	-104.16	366.12	4.58	-99.58
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2)=N1	REAL300000324359	1	39	-2.0	-92.56	354.11	4.91	-87.65
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=C2)=N1	REAL300000324360	1	39	-2.0	-102.69	357.64	5.20	-97.49
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)=N1	REAL300000324361	0	36	-2.0	-108.97	341.76	4.40	-104.57
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000324362	1	39	-2.0	-97.20	363.04	5.04	-92.16
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=N1	REAL300000324363	0	35	-2.0	-100.80	335.09	2.42	-98.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC(C)=NO2)=C1	REAL300000324364	0	40	-2.0	-96.45	366.31	4.16	-92.29
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)=N1	REAL300000324365	0	33	-2.0	-92.46	338.25	3.34	-89.12
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C2)=N1	REAL300000324366	1	43	-2.0	-98.42	384.23	6.25	-92.17
CC1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C2)=N1	REAL300000324367	1	43	-2.0	-102.62	383.54	6.25	-96.37
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC(C)=NO3)=C2)C=C(C(=O)[O-])O1	REAL300000324368	0	39	-2.0	-98.08	360.23	4.36	-93.72
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000324369	1	39	-2.0	-105.74	360.76	4.71	-101.03
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000324370	1	39	-2.0	-92.45	356.21	4.69	-87.76
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000324371	1	39	-2.0	-104.23	356.25	4.68	-99.55
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000324372	0	43	-2.0	-108.93	384.37	4.48	-104.45
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000324373	1	43	-2.0	-92.13	387.68	5.98	-86.15
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000324374	1	42	-2.0	-106.53	376.32	5.33	-101.20
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000324375	0	39	-2.0	-104.44	369.31	5.26	-99.18
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000324376	1	39	-2.0	-103.97	368.74	5.08	-98.89
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000324377	1	45	-2.0	-111.83	388.63	6.00	-105.83
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000324378	0	39	-2.0	-105.76	361.71	4.75	-101.01
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000324379	1	45	-2.0	-91.22	399.80	6.27	-84.95
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000324380	0	36	-2.0	-102.42	349.42	3.71	-98.71
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000324381	1	42	-2.0	-104.77	371.67	5.48	-99.29
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000324382	1	43	-2.0	-90.90	387.30	4.97	-85.93
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000324383	0	40	-2.0	-102.74	362.88	4.04	-98.70
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1	REAL300000324384	1	43	-2.0	-105.45	380.02	3.52	-101.93
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000324385	0	39	-2.0	-95.07	365.34	4.37	-90.70
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1	REAL300000324386	1	45	-2.0	-106.17	387.28	6.03	-100.14
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000324387	0	36	-2.0	-103.92	347.88	3.73	-100.19
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300000324388	1	43	-2.0	-110.07	383.53	4.75	-105.32
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1	REAL300000324389	1	45	-2.0	-103.31	386.41	6.41	-96.90
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000324390	0	39	-2.0	-98.33	359.27	3.83	-94.50
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C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000324403	1	42	-2.0	-95.27	378.40	5.47	-89.80
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000324404	1	42	-2.0	-102.12	369.52	5.44	-96.68
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C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000324406	1	42	-2.0	-96.37	371.64	5.46	-90.91
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C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000324408	0	39	-2.0	-97.33	367.99	4.81	-92.52
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1	REAL300000324409	1	45	-2.0	-105.21	389.62	6.09	-99.12
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000324410	0	42	-2.0	-106.85	377.71	5.28	-101.57
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000324411	0	42	-2.0	-111.94	381.25	5.37	-106.57
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=C1	REAL300000324412	1	45	-2.0	-109.85	390.17	5.87	-103.98
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000324413	0	43	-2.0	-103.95	384.25	4.90	-99.05
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000324414	1	42	-2.0	-95.93	372.24	5.23	-90.70
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1	REAL300000324415	1	42	-2.0	-107.49	376.18	5.51	-101.98
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000324416	0	39	-2.0	-108.66	359.89	4.71	-103.95
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000324417	1	42	-2.0	-97.06	381.18	5.36	-91.70
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000324418	0	38	-2.0	-105.67	352.44	2.82	-102.85
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000324419	0	43	-2.0	-100.00	384.44	4.49	-95.51
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000324420	0	36	-2.0	-92.37	356.38	3.66	-88.71
C=CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000324421	0	42	-2.0	-98.19	378.36	4.68	-93.51
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(N3CCCC3=O)=CC=C2F)=C1	REAL300000324426	1	39	-2.0	-124.75	350.22	6.34	-118.41
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(N3CCCC3=O)=CC=C2F)=C1	REAL300000324427	0	36	-2.0	-121.86	337.94	5.32	-116.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(N3CCCC3=O)=CC=C2F)=C1	REAL300000324430	1	39	-2.0	-117.69	353.86	5.98	-111.71
CC1=C(S(=O)(=O)[N-]C2=CC(N3CCCC3=O)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000324432	1	39	-2.0	-120.42	347.76	5.44	-114.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(N3CCCC3=O)=CC=C2F)S1	REAL300000324435	1	36	-2.0	-116.25	337.02	5.42	-110.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(N3CCCC3=O)=CC=C2F)C(F)=C1	REAL300000324437	1	39	-2.0	-101.34	350.72	6.36	-94.98
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(N3CCCC3=O)=CC=C2F)=C1	REAL300000324438	0	40	-2.0	-107.49	357.15	4.75	-102.74
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(N3CCCC3=O)=CC=C2F)=C1F	REAL300000324444	1	39	-2.0	-133.19	348.38	6.31	-126.88
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(N3CCCC3=O)=CC=C2F)=C1	REAL300000324445	0	38	-2.0	-124.04	341.72	4.36	-119.68
CCC1=C(S(=O)(=O)[N-]C2=CC(N3CCCC3=O)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000324446	1	42	-2.0	-120.03	366.87	6.29	-113.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=CC=C1F	REAL300000324447	0	38	-2.0	-107.01	357.63	6.61	-100.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1	REAL300000324448	0	38	-2.0	-97.12	353.08	6.58	-90.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000324449	0	38	-2.0	-109.41	353.10	6.57	-102.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=C1	REAL300000324450	0	42	-2.0	-115.36	381.24	6.38	-108.98
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1	REAL300000324451	0	42	-2.0	-96.73	384.55	7.87	-88.86
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000324452	0	41	-2.0	-111.88	373.16	7.23	-104.65
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000324453	0	38	-2.0	-105.52	366.17	7.15	-98.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=CC=C1Cl	REAL300000324454	0	38	-2.0	-105.31	365.60	6.97	-98.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1C	REAL300000324455	0	44	-2.0	-112.93	385.49	7.89	-105.04
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000324456	0	38	-2.0	-106.93	358.58	6.63	-100.30
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1	REAL300000324457	0	44	-2.0	-96.11	396.67	8.16	-87.95
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000324458	0	35	-2.0	-103.75	346.29	5.60	-98.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=C1	REAL300000324459	0	41	-2.0	-111.03	368.52	7.36	-103.67
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1	REAL300000324460	0	42	-2.0	-95.40	384.17	6.85	-88.55
CN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000324461	0	39	-2.0	-107.85	359.74	5.93	-101.92
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=C1	REAL300000324462	0	42	-2.0	-111.45	377.31	5.39	-106.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000324463	0	38	-2.0	-99.76	362.21	6.25	-93.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000324464	0	44	-2.0	-112.22	384.55	7.89	-104.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=CS1	REAL300000324465	0	35	-2.0	-105.08	344.75	5.61	-99.47
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000324466	0	42	-2.0	-115.32	380.37	6.65	-108.67
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=C1	REAL300000324467	0	47	-2.0	-113.17	407.00	8.58	-104.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=C1	REAL300000324468	0	44	-2.0	-109.51	383.24	8.28	-101.23
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000324469	0	45	-2.0	-115.20	397.35	8.48	-106.72
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000324470	0	38	-2.0	-103.85	356.10	5.72	-98.13
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000324471	0	42	-2.0	-110.31	382.09	5.67	-104.64
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=C1	REAL300000324472	0	41	-2.0	-101.48	373.80	7.40	-94.08
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000324473	0	38	-2.0	-107.18	362.79	6.46	-100.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C(Cl)=C1	REAL300000324474	0	38	-2.0	-94.70	366.15	7.14	-87.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1F	REAL300000324475	0	38	-2.0	-96.64	357.62	6.62	-90.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)S1	REAL300000324476	0	35	-2.0	-98.64	345.37	5.70	-92.94
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000324477	0	38	-2.0	-100.30	359.50	6.65	-93.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1F	REAL300000324478	0	41	-2.0	-108.36	378.86	7.27	-101.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C(F)=C1	REAL300000324479	0	38	-2.0	-96.32	358.56	6.65	-89.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1Cl	REAL300000324480	0	38	-2.0	-94.64	365.59	6.98	-87.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=CC(F)=C1F	REAL300000324481	0	38	-2.0	-98.52	363.91	6.67	-91.85
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000324482	0	39	-2.0	-110.15	362.81	4.30	-105.85
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1	REAL300000324483	0	41	-2.0	-100.89	375.27	7.35	-93.54
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=C1	REAL300000324484	0	41	-2.0	-105.17	363.16	7.20	-97.97
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000324485	0	41	-2.0	-108.33	377.93	7.23	-101.10
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=C1	REAL300000324486	0	41	-2.0	-97.58	368.51	7.35	-90.23
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000324487	0	44	-2.0	-113.76	389.90	7.74	-106.02
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000324488	0	38	-2.0	-98.52	364.85	6.70	-91.82
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000324489	0	44	-2.0	-109.57	386.48	7.99	-101.58
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000324490	0	41	-2.0	-109.24	378.41	7.27	-101.97
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000324491	0	41	-2.0	-113.49	378.11	7.27	-106.22
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000324492	0	44	-2.0	-111.21	387.03	7.77	-103.44
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000324493	0	42	-2.0	-109.20	381.11	6.80	-102.40
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000324494	0	41	-2.0	-97.16	369.10	7.12	-90.04
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=C1	REAL300000324495	0	41	-2.0	-108.47	373.06	7.38	-101.09
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1F	REAL300000324496	0	38	-2.0	-112.75	356.76	6.60	-106.15
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000324497	0	41	-2.0	-102.05	378.03	7.26	-94.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000324498	0	37	-2.0	-107.02	349.31	4.70	-102.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=C1	REAL300000324499	0	42	-2.0	-101.38	381.30	6.38	-95.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)=C(Cl)O1	REAL300000324500	0	35	-2.0	-97.57	353.24	5.55	-92.02
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(CC4=CC=CC=C4)N=C3)C=C2)CC1	REAL300000324501	0	45	-2.0	-103.77	399.23	8.46	-95.31
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(CC4=CC=CC=C4)N=C3)C=C2C1	REAL300000324502	0	45	-2.0	-106.39	398.53	8.46	-97.93
CCC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000324503	0	41	-2.0	-103.88	375.23	6.57	-97.31
CCN(C1=CC=CC(F)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000324532	0	37	-2.0	-109.38	346.30	8.02	-101.36
CCN(C1=CC=CC(F)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000324561	0	35	-2.0	-106.20	319.30	6.14	-100.06
CC1=CC(C)=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=C1	REAL300000324599	0	44	-2.0	-104.06	393.42	7.30	-96.76
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1F	REAL300000324600	1	42	-2.0	-88.78	379.75	3.89	-84.89
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000324601	1	35	-2.0	-104.64	327.82	5.33	-99.31
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1F	REAL300000324602	0	43	-2.0	-101.05	382.89	6.39	-94.66
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000324604	1	35	-2.0	-107.12	323.28	5.29	-101.83
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300000324605	0	39	-2.0	-113.36	351.42	5.10	-108.26
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000324606	1	39	-2.0	-94.66	354.73	6.59	-88.07
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1F	REAL300000324608	0	35	-2.0	-103.51	336.35	5.87	-97.64
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000324609	1	35	-2.0	-102.97	335.78	5.69	-97.28
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000324610	1	41	-2.0	-105.09	355.95	6.64	-98.45
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000324611	0	35	-2.0	-104.91	328.75	5.36	-99.55
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000324612	1	41	-2.0	-93.86	366.85	6.88	-86.98
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000324613	0	32	-2.0	-101.40	316.46	4.31	-97.09
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000324614	1	38	-2.0	-109.22	338.71	6.08	-103.14
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000324616	1	36	-2.0	-105.37	329.92	4.65	-100.72
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000324618	0	35	-2.0	-93.25	332.39	4.97	-88.28
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000324620	0	32	-2.0	-102.80	314.92	4.33	-98.47
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1F	REAL300000324621	1	43	-2.0	-107.35	381.62	5.11	-102.24
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1F	REAL300000324623	1	45	-2.0	-112.89	378.53	7.91	-104.98
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1F	REAL300000324624	1	44	-2.0	-111.45	377.17	7.30	-104.15
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1F	REAL300000324625	1	41	-2.0	-108.02	353.43	7.01	-101.01
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1F	REAL300000324626	0	42	-2.0	-108.16	373.70	5.85	-102.31
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000324627	0	38	-2.0	-107.81	358.40	5.73	-102.08
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000324627	1	37	-3.0	-180.88	351.69	5.86	-175.02
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1F	REAL300000324628	1	42	-2.0	-107.03	367.54	7.19	-99.84
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000324629	0	35	-2.0	-101.76	326.29	4.43	-97.33
CCOC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1F	REAL300000324630	1	41	-2.0	-111.72	365.44	5.07	-106.65
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000324631	0	39	-2.0	-103.89	352.26	4.39	-99.50
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1F	REAL300000324633	0	35	-2.0	-100.26	340.87	5.89	-94.37
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1F	REAL300000324635	1	38	-2.0	-94.11	343.98	6.11	-88.00
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1F	REAL300000324636	1	39	-2.0	-92.83	360.57	5.65	-87.18
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000324638	1	35	-2.0	-105.47	331.87	5.19	-100.28
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1F	REAL300000324639	0	35	-2.0	-92.35	336.33	5.86	-86.49
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000324640	1	35	-2.0	-94.28	327.80	5.34	-88.94
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000324641	0	32	-2.0	-96.34	315.55	4.43	-91.91
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000324642	1	35	-2.0	-97.95	329.68	5.36	-92.59
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1F	REAL300000324643	0	38	-2.0	-100.61	349.04	6.00	-94.61
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000324644	0	35	-2.0	-93.87	328.74	5.37	-88.50
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000324645	1	35	-2.0	-92.31	335.77	5.70	-86.61
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1F	REAL300000324646	1	38	-2.0	-95.68	352.71	6.49	-89.19
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1F	REAL300000324647	1	43	-2.0	-91.57	387.02	6.71	-84.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000324648	1	35	-2.0	-96.23	334.09	5.39	-90.84
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1F	REAL300000324649	1	37	-2.0	-92.10	351.46	5.96	-86.14
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000324650	0	36	-2.0	-108.40	332.99	3.00	-105.40
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000324650	1	36	-2.0	-107.40	332.16	3.81	-103.59
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000324651	1	38	-2.0	-98.24	345.46	6.07	-92.17
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000324652	1	35	-2.0	-97.65	343.99	5.83	-91.82
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000324653	1	38	-2.0	-102.68	333.35	5.94	-96.74
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000324654	1	38	-2.0	-105.94	348.12	5.95	-99.99
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300000324657	0	37	-2.0	-105.52	349.83	6.38	-99.14
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1F	REAL300000324658	0	35	-2.0	-96.31	335.03	5.43	-90.88
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1F	REAL300000324660	0	38	-2.0	-105.94	344.75	5.90	-100.04
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1F	REAL300000324661	0	38	-2.0	-99.61	355.02	6.43	-93.18
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1F	REAL300000324662	0	38	-2.0	-107.64	348.31	5.99	-101.65
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=C1F	REAL300000324663	1	41	-2.0	-108.87	357.51	6.48	-102.39
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1F	REAL300000324665	1	38	-2.0	-92.58	349.53	6.48	-86.10
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000324666	1	38	-2.0	-104.65	354.51	6.26	-98.39
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1F	REAL300000324667	1	39	-2.0	-106.61	351.30	5.52	-101.09
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000324669	1	38	-2.0	-101.43	357.01	6.36	-95.07
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1F	REAL300000324671	0	40	-2.0	-99.02	366.54	7.49	-91.53
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1F	REAL300000324673	0	37	-2.0	-113.42	347.00	7.15	-106.27
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000324674	0	35	-2.0	-110.18	326.89	5.32	-104.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000324675	1	38	-2.0	-99.61	348.21	5.98	-93.63
CCOC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1F	REAL300000324676	1	41	-2.0	-115.20	364.32	7.42	-107.78
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000324677	0	34	-2.0	-99.11	320.26	3.35	-95.76
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000324678	0	39	-2.0	-94.64	351.48	5.09	-89.55
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000324679	0	32	-2.0	-95.26	323.43	4.28	-90.98
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1F	REAL300000324680	1	42	-2.0	-100.27	367.25	7.12	-93.15
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1F	REAL300000324681	1	42	-2.0	-103.67	368.71	7.19	-96.48
CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1F	REAL300000324682	0	38	-2.0	-101.86	345.41	5.28	-96.58
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000324683	1	32	-2.0	-95.95	316.13	4.58	-91.37
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C(F)=C1	REAL300000324684	0	40	-2.0	-97.92	371.20	5.63	-92.29
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000324685	1	32	-2.0	-86.71	311.58	4.55	-82.16
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000324686	1	32	-2.0	-98.47	311.60	4.54	-93.93
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C(F)=C1	REAL300000324687	0	36	-2.0	-103.83	339.73	4.34	-99.49
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000324688	1	36	-2.0	-86.82	343.04	5.84	-80.98
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000324689	1	35	-2.0	-98.92	327.61	5.08	-93.84
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1F	REAL300000324690	0	32	-2.0	-94.57	324.66	5.12	-89.45
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000324691	1	32	-2.0	-94.12	324.11	4.94	-89.18
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000324692	1	38	-2.0	-102.00	344.26	5.89	-96.11
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000324693	0	32	-2.0	-95.57	317.06	4.61	-90.96
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000324694	1	38	-2.0	-85.97	355.15	6.13	-79.84
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000324695	0	29	-2.0	-92.60	304.77	3.56	-89.04
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000324696	1	35	-2.0	-99.96	327.02	5.33	-94.63
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1F	REAL300000324697	1	36	-2.0	-85.48	342.67	4.82	-80.66
COC1=C(F)C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000324698	0	33	-2.0	-96.94	318.24	3.90	-93.04
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1F	REAL300000324699	1	36	-2.0	-100.49	335.79	3.36	-97.13
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000324700	0	32	-2.0	-89.04	320.70	4.22	-84.82
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1F	REAL300000324701	1	38	-2.0	-101.34	342.66	5.88	-95.46
COC1=C(F)C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000324702	0	29	-2.0	-94.08	303.24	3.58	-90.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000324703	1	36	-2.0	-104.37	338.88	4.61	-99.76
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1F	REAL300000324704	1	42	-2.0	-103.32	366.83	7.17	-96.15
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1F	REAL300000324705	1	41	-2.0	-101.94	365.49	6.55	-95.39
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C(F)=C1	REAL300000324706	1	38	-2.0	-98.83	341.72	6.27	-92.56
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C(F)=C1	REAL300000324707	0	39	-2.0	-103.60	362.02	5.10	-98.50
COC1=C(F)C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000324708	0	35	-2.0	-109.31	346.70	4.98	-104.33
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000324708	1	34	-3.0	-170.98	340.01	5.11	-165.87
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1F	REAL300000324709	1	39	-2.0	-103.68	355.84	6.44	-97.24
COC1=C(F)C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000324710	0	32	-2.0	-93.20	314.60	3.68	-89.52
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000324711	0	36	-2.0	-98.71	340.51	3.63	-95.08
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1F	REAL300000324712	1	40	-2.0	-86.42	365.22	5.16	-81.26
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1F	REAL300000324713	0	32	-2.0	-91.74	329.18	5.14	-86.60
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1F	REAL300000324714	1	39	-2.0	-85.88	362.74	5.53	-80.35
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1F	REAL300000324715	1	35	-2.0	-90.85	332.30	5.36	-85.49
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1F	REAL300000324716	1	36	-2.0	-85.33	348.89	4.88	-80.45
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000324717	1	39	-2.0	-104.43	360.73	5.52	-98.91
COC1=C(F)C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000324718	0	32	-2.0	-96.57	320.21	4.44	-92.13
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1F	REAL300000324719	0	32	-2.0	-84.54	324.65	5.11	-79.43
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000324720	1	32	-2.0	-86.52	316.12	4.59	-81.93
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000324721	0	29	-2.0	-87.93	303.86	3.68	-84.25
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000324722	1	32	-2.0	-89.66	318.01	4.60	-85.06
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1F	REAL300000324723	0	35	-2.0	-96.83	337.36	5.25	-91.58
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000324724	0	32	-2.0	-85.77	317.04	4.62	-81.15
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000324725	1	32	-2.0	-84.42	324.09	4.95	-79.47
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1F	REAL300000324726	1	35	-2.0	-92.46	341.03	5.74	-86.72
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1F	REAL300000324727	1	40	-2.0	-83.90	375.33	5.96	-77.94
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000324728	1	32	-2.0	-88.35	322.42	4.64	-83.71
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1F	REAL300000324729	0	34	-2.0	-83.85	339.79	5.21	-78.64
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000324730	0	33	-2.0	-98.94	321.31	2.25	-96.69
COC1=C(F)C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000324730	1	33	-2.0	-102.02	320.40	3.12	-98.90
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000324731	1	35	-2.0	-90.13	333.76	5.32	-84.81
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000324732	1	32	-2.0	-89.61	332.30	5.08	-84.53
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000324733	1	35	-2.0	-95.50	325.43	5.28	-90.22
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000324734	1	35	-2.0	-97.10	336.43	5.20	-91.90
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000324735	1	35	-2.0	-87.28	327.00	5.32	-81.96
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000324736	1	38	-2.0	-101.12	344.47	5.60	-95.52
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300000324737	0	34	-2.0	-97.38	338.17	5.63	-91.75
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1F	REAL300000324738	0	32	-2.0	-87.44	323.34	4.67	-82.77
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000324739	1	38	-2.0	-98.75	344.98	5.95	-92.80
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1F	REAL300000324740	0	35	-2.0	-97.73	336.90	5.24	-92.49
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1F	REAL300000324741	0	35	-2.0	-96.15	343.34	5.68	-90.47
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1F	REAL300000324742	0	35	-2.0	-102.13	336.62	5.24	-96.89
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000324743	1	38	-2.0	-99.61	345.55	5.72	-93.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C(F)=C2)C=C1CC(=O)[O-]	REAL300000324744	1	39	-2.0	-100.58	362.06	4.67	-95.91
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1F	REAL300000324745	1	35	-2.0	-87.91	337.85	5.72	-82.19
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000324746	1	35	-2.0	-95.69	342.82	5.50	-90.19
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000324747	0	36	-2.0	-98.12	339.53	4.76	-93.36
COC1=C(F)C=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=C1F	REAL300000324748	1	44	-2.0	-98.83	376.75	7.40	-91.43
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000324749	1	35	-2.0	-91.36	341.47	5.50	-85.86
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000324750	1	35	-2.0	-88.28	331.66	5.19	-83.09
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1F	REAL300000324751	1	35	-2.0	-98.10	331.13	5.39	-92.71
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1F	REAL300000324752	0	34	-2.0	-104.89	335.33	6.39	-98.50
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000324753	0	32	-2.0	-101.54	315.25	4.58	-96.96
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000324754	1	35	-2.0	-89.83	332.77	5.11	-84.72
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1F	REAL300000324755	1	38	-2.0	-105.76	352.63	6.67	-99.09
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000324756	0	31	-2.0	-95.69	308.58	2.60	-93.09
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C(F)=C1	REAL300000324757	0	36	-2.0	-90.63	339.79	4.34	-86.29
COC1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000324758	0	29	-2.0	-86.95	311.74	3.52	-83.43
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1F	REAL300000324759	1	39	-2.0	-92.31	355.57	6.36	-85.95
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1F	REAL300000324760	1	39	-2.0	-95.12	355.68	6.41	-88.71
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000324761	0	35	-2.0	-93.27	333.71	4.53	-88.74
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC(F)=C3)C=C2)=C1	REAL300000324764	0	36	-2.0	-103.46	353.99	6.94	-96.52
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC(F)=C3)C=C2)C=C1C(=O)[O-]	REAL300000324765	1	40	-2.0	-105.76	367.46	7.27	-98.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC(F)=C3)C=C2)=CS1	REAL300000324766	1	36	-2.0	-103.11	352.47	6.94	-96.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC(F)=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000324767	0	39	-2.0	-101.37	363.85	7.05	-94.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC(F)=C3)C=C2)S1	REAL300000324768	0	36	-2.0	-97.15	353.08	7.03	-90.12
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC(F)=C3)C=C2)=C1	REAL300000324769	0	38	-2.0	-105.64	357.02	6.02	-99.62
CC1=CC=CC(OC2=NC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000324772	0	44	-2.0	-101.53	389.60	6.58	-94.95
CC1=CC=CC(OC2=NC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000324773	0	44	-2.0	-114.46	390.36	6.59	-107.87
CC1=CC=CC(OC2=NC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000324774	0	43	-2.0	-112.05	386.58	4.71	-107.34
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000324775	0	41	-2.0	-96.33	382.95	2.36	-93.97
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000324776	0	34	-2.0	-111.53	331.03	3.81	-107.72
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=N1	REAL300000324777	0	42	-2.0	-113.46	386.09	4.87	-108.59
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000324778	0	34	-2.0	-102.39	326.46	3.78	-98.61
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000324779	0	34	-2.0	-114.02	326.49	3.77	-110.25
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000324780	0	38	-2.0	-120.25	354.61	3.58	-116.67
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000324781	0	38	-2.0	-102.16	357.94	5.08	-97.08
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000324782	0	37	-2.0	-116.51	342.49	4.31	-112.20
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000324783	0	34	-2.0	-110.47	339.56	4.34	-106.13
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000324784	0	34	-2.0	-109.88	339.00	4.17	-105.71
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=N1	REAL300000324785	0	40	-2.0	-117.72	358.87	5.09	-112.63
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000324786	0	34	-2.0	-112.05	331.97	3.83	-108.22
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000324787	0	40	-2.0	-101.54	370.06	5.36	-96.18
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000324788	0	31	-2.0	-108.56	319.67	2.81	-105.75
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300000324789	0	37	-2.0	-115.92	341.90	4.57	-111.35
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000324790	0	38	-2.0	-100.80	357.56	4.06	-96.74
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000324791	0	35	-2.0	-112.53	333.11	3.14	-109.39
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=N1	REAL300000324792	0	38	-2.0	-116.25	350.70	2.59	-113.66
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=N1	REAL300000324793	0	34	-2.0	-105.43	335.58	3.46	-101.97
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=N1	REAL300000324794	0	40	-2.0	-117.01	357.93	5.09	-111.92
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000324795	0	31	-2.0	-109.77	318.14	2.81	-106.96
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000324796	0	42	-2.0	-115.80	384.80	3.59	-112.21
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000324797	0	38	-2.0	-119.79	353.77	3.85	-115.94
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000324798	0	44	-2.0	-119.60	381.72	6.41	-113.19
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=N1	REAL300000324799	0	43	-2.0	-118.01	380.37	5.78	-112.23
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)OC)N=C1	REAL300000324800	0	40	-2.0	-114.39	356.65	5.49	-108.90
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=N1	REAL300000324801	0	41	-2.0	-119.73	376.90	4.35	-115.38
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000324802	0	36	-3.0	-188.66	354.89	4.35	-184.31
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000324803	0	41	-2.0	-119.90	370.72	5.68	-114.22
COC(=O)CN1C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=N1	REAL300000324804	0	34	-2.0	-108.82	329.49	2.93	-105.89
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000324805	0	40	-2.0	-118.81	368.63	3.56	-115.25
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=N1	REAL300000324806	0	38	-2.0	-115.28	355.39	2.87	-112.41
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000324807	0	42	-2.0	-102.49	380.12	4.39	-98.10
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000324808	0	34	-2.0	-107.32	344.06	4.38	-102.94
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=N1	REAL300000324809	0	41	-2.0	-101.23	377.63	4.76	-96.47
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=N1	REAL300000324810	0	37	-2.0	-106.44	347.18	4.60	-101.84
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000324811	0	38	-2.0	-100.07	363.79	4.12	-95.95
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)OC)N=C2)C=C1C(=O)[O-]	REAL300000324812	0	41	-2.0	-121.96	375.63	4.76	-117.20
COC(=O)CN1C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=N1	REAL300000324813	0	34	-2.0	-112.09	336.17	3.67	-108.42
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000324814	0	34	-2.0	-99.99	339.52	4.34	-95.65
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000324815	0	34	-2.0	-101.86	331.00	3.82	-98.04
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000324816	0	31	-2.0	-104.16	318.76	2.90	-101.26
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000324817	0	34	-2.0	-105.05	332.90	3.85	-101.20
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=N1	REAL300000324818	0	37	-2.0	-113.38	352.23	4.49	-108.89
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000324819	0	34	-2.0	-101.72	331.93	3.85	-97.87
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000324820	0	34	-2.0	-99.88	338.97	4.17	-95.71
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=N1	REAL300000324821	0	37	-2.0	-108.11	355.91	4.98	-103.13
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000324822	0	42	-2.0	-99.06	390.22	5.18	-93.88
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000324823	0	34	-2.0	-104.45	337.31	3.87	-100.58
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000324824	0	36	-2.0	-99.30	354.68	4.45	-94.85
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000324825	0	35	-2.0	-115.29	336.18	1.50	-113.79
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000324826	0	37	-2.0	-106.36	348.66	4.56	-101.80
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000324827	0	34	-2.0	-105.86	347.20	4.31	-101.55
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000324828	0	37	-2.0	-110.72	336.53	4.40	-106.32
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000324829	0	37	-2.0	-112.86	351.30	4.43	-108.43
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000324830	0	37	-2.0	-102.66	341.88	4.55	-98.11
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000324831	0	40	-2.0	-119.74	363.27	4.94	-114.80
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000324832	0	36	-2.0	-112.22	353.05	4.87	-107.35
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000324833	0	34	-2.0	-103.66	338.23	3.91	-99.75
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000324834	0	40	-2.0	-115.13	359.86	5.19	-109.94
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=N1	REAL300000324835	0	37	-2.0	-114.30	351.78	4.48	-109.82
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=N1	REAL300000324836	0	37	-2.0	-112.22	358.23	4.91	-107.31
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=N1	REAL300000324837	0	37	-2.0	-119.24	351.51	4.46	-114.78
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)OC)N=C2)C=C1C(=O)[O-]	REAL300000324838	0	40	-2.0	-117.31	360.44	4.96	-112.35
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=N1	REAL300000324839	0	41	-2.0	-117.49	376.96	3.90	-113.59
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=N1	REAL300000324840	0	37	-2.0	-104.10	352.73	4.96	-99.14
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000324841	0	37	-2.0	-111.59	357.69	4.74	-106.85
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC(=O)OC)N=C2)C=C1C(=O)[O-]	REAL300000324842	0	38	-2.0	-113.83	354.49	4.00	-109.83
COC(=O)CN1C=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=N1	REAL300000324843	0	46	-2.0	-113.80	391.41	6.63	-107.17
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000324844	0	37	-2.0	-109.66	360.24	4.84	-104.82
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000324845	0	37	-2.0	-102.47	342.50	4.33	-98.14
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000324846	0	39	-2.0	-106.66	369.75	5.97	-100.69
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=N1	REAL300000324847	0	37	-2.0	-113.32	346.45	4.57	-108.75
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000324848	0	36	-2.0	-121.74	350.21	5.63	-116.11
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000324849	0	34	-2.0	-118.46	330.13	3.81	-114.65
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000324850	0	37	-2.0	-107.83	351.43	4.45	-103.38
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000324851	0	40	-2.0	-123.59	367.52	5.90	-117.69
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000324852	0	33	-2.0	-112.57	323.45	1.85	-110.72
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=N1	REAL300000324853	0	38	-2.0	-106.56	354.67	3.58	-102.98
COC(=O)CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000324854	0	31	-2.0	-102.60	326.63	2.76	-99.84
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000324855	0	41	-2.0	-108.79	372.62	5.66	-103.13
COC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000324856	0	41	-2.0	-110.86	371.91	5.66	-105.20
CCC1=C(S(=O)(=O)[N-]C2=CN(CC(=O)OC)N=C2)C=C(C(=O)[O-])O1	REAL300000324857	0	37	-2.0	-108.82	348.61	3.78	-105.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324860	1	33	-2.0	-102.49	313.53	6.49	-96.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)C=CC2=C1	REAL300000324861	0	37	-2.0	-108.25	341.67	6.29	-101.96
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C=C1	REAL300000324862	1	37	-2.0	-90.88	344.99	7.79	-83.09
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324864	0	33	-2.0	-98.92	326.60	7.07	-91.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=CC=C1Cl	REAL300000324865	1	33	-2.0	-98.57	326.04	6.89	-91.68
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324867	0	33	-2.0	-100.05	319.01	6.56	-93.49
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C=C1	REAL300000324868	1	39	-2.0	-89.81	357.11	8.09	-81.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324869	0	30	-2.0	-97.21	306.72	5.52	-91.69
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C=C1C(=O)[O-]	REAL300000324872	1	34	-2.0	-100.99	320.18	5.85	-95.14
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324874	0	33	-2.0	-93.47	322.65	6.18	-87.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=CS1	REAL300000324876	1	30	-2.0	-98.54	305.18	5.53	-93.01
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324878	1	43	-2.0	-107.90	368.77	9.12	-98.78
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)C=CC2=C1	REAL300000324879	1	42	-2.0	-106.37	367.43	8.50	-97.87
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)C=CC2=C1	REAL300000324880	1	39	-2.0	-103.29	343.67	8.22	-95.07
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)C=CC2=C1	REAL300000324881	0	40	-2.0	-108.27	363.96	7.06	-101.21
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3OC(=O)C=CC3=C2)=CC(C(=O)[O-])=C1	REAL300000324882	0	36	-2.0	-112.49	344.41	7.06	-105.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=CC(C(=O)[O-])=C1	REAL300000324882	1	35	-3.0	-175.45	341.93	7.06	-168.39
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324883	1	40	-2.0	-108.21	357.78	8.39	-99.82
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C=C(C(=O)[O-])O1	REAL300000324884	0	33	-2.0	-97.78	316.54	5.64	-92.14
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324885	0	37	-2.0	-103.38	342.52	5.58	-97.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C(Cl)C=C1F	REAL300000324886	0	33	-2.0	-96.06	331.12	7.09	-88.97
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)C=CC2=C1	REAL300000324888	1	36	-2.0	-95.31	334.24	7.31	-88.00
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C=C1F	REAL300000324889	1	37	-2.0	-89.28	350.82	6.84	-82.44
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C=C(C(=O)[O-])S1	REAL300000324891	1	33	-2.0	-100.95	323.23	6.38	-94.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C(Cl)=C1	REAL300000324892	0	33	-2.0	-88.63	326.58	7.06	-81.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C=C1F	REAL300000324893	1	33	-2.0	-90.74	318.04	6.53	-84.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)S1	REAL300000324894	0	30	-2.0	-92.40	305.80	5.62	-86.78
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324895	1	33	-2.0	-93.75	319.94	6.56	-87.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1F	REAL300000324896	0	36	-2.0	-101.37	339.28	7.19	-94.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C(F)=C1	REAL300000324897	0	33	-2.0	-89.97	319.00	6.57	-83.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C=C1Cl	REAL300000324898	1	33	-2.0	-88.66	326.02	6.90	-81.76
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)C=CC2=C1	REAL300000324899	1	36	-2.0	-96.91	342.97	7.70	-89.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=CC(F)=C1F	REAL300000324900	1	33	-2.0	-92.34	324.35	6.59	-85.75
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324901	1	35	-2.0	-88.11	341.73	7.16	-80.95
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324902	0	34	-2.0	-103.76	323.24	4.21	-99.55
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324902	1	34	-2.0	-103.02	312.28	5.09	-97.93
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C=C1	REAL300000324903	1	36	-2.0	-93.88	335.71	7.28	-86.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=CC(Cl)=C1F	REAL300000324904	1	33	-2.0	-93.62	334.24	7.03	-86.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=CC=C1[N+](=O)[O-]	REAL300000324909	0	35	-2.0	-101.71	340.09	7.58	-94.13
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324910	0	33	-2.0	-91.88	325.29	6.62	-85.26
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C=C1C(=O)[O-]	REAL300000324912	0	36	-2.0	-102.28	338.85	7.19	-95.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1Cl	REAL300000324913	0	36	-2.0	-100.59	345.31	7.63	-92.96
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324914	0	36	-2.0	-106.17	338.57	7.19	-98.98
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)C=CC2=C1	REAL300000324917	1	36	-2.0	-91.95	339.79	7.67	-84.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000324918	1	36	-2.0	-100.19	344.75	7.45	-92.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C=C1C(=O)[O-]	REAL300000324919	1	37	-2.0	-102.20	341.54	6.71	-95.49
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C=C1C(=O)[O-]	REAL300000324920	1	36	-2.0	-97.01	347.27	7.56	-89.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1[N+](=O)[O-]	REAL300000324923	0	35	-2.0	-108.54	337.26	8.34	-100.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1F	REAL300000324924	0	33	-2.0	-105.48	317.19	6.53	-98.95
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C=C1C(=O)[O-]	REAL300000324925	1	36	-2.0	-95.26	338.47	7.17	-88.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=CC2=CC=CC=C21	REAL300000324926	1	39	-2.0	-110.24	354.57	8.61	-101.63
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000324927	0	32	-2.0	-100.60	310.52	4.55	-96.05
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)C=CC2=C1	REAL300000324928	0	37	-2.0	-94.87	341.73	6.29	-88.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)=C(Cl)O1	REAL300000324929	0	30	-2.0	-91.43	313.68	5.47	-85.96
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4OC(=O)C=CC4=C3)C=C2)CC1	REAL300000324930	1	40	-2.0	-97.60	359.66	8.37	-89.23
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4OC(=O)C=CC4=C3)C=C2C1	REAL300000324931	1	40	-2.0	-99.09	358.97	8.39	-90.70
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)C=CC3=C2)C=C(C(=O)[O-])O1	REAL300000324932	0	36	-2.0	-97.82	335.66	6.48	-91.34
CC(=O)NC1=CC=CC2=C1CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000324949	0	43	-2.0	-120.01	365.57	5.36	-114.65
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000324959	0	44	-2.0	-87.19	391.27	2.14	-85.05
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000324960	1	37	-2.0	-103.02	339.35	3.58	-99.44
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)N=C1	REAL300000324961	0	45	-2.0	-104.67	394.44	4.63	-100.04
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000324962	1	37	-2.0	-93.18	334.79	3.56	-89.62
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000324963	0	37	-2.0	-105.37	334.81	3.54	-101.83
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)N=C1	REAL300000324964	0	41	-2.0	-111.30	362.96	3.35	-107.95
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000324965	1	41	-2.0	-93.06	366.27	4.84	-88.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000324966	1	40	-2.0	-107.77	354.89	4.19	-103.58
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000324967	0	37	-2.0	-101.69	347.89	4.12	-97.57
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000324968	0	37	-2.0	-101.31	347.32	3.93	-97.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)=C1C	REAL300000324969	1	43	-2.0	-108.92	367.21	4.86	-104.06
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000324970	0	37	-2.0	-102.88	340.29	3.61	-99.27
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000324971	0	43	-2.0	-92.38	378.38	5.13	-87.25
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000324972	0	34	-2.0	-99.72	328.00	2.56	-97.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)N=C1	REAL300000324973	1	40	-2.0	-107.13	350.25	4.34	-102.79
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000324974	1	41	-2.0	-91.71	365.88	3.82	-87.89
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000324975	0	38	-2.0	-103.69	341.45	2.90	-100.79
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)N=C1	REAL300000324976	1	41	-2.0	-107.43	359.02	2.37	-105.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)=C1	REAL300000324977	0	37	-2.0	-95.82	343.93	3.22	-92.60
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000324978	1	43	-2.0	-108.22	366.27	4.87	-103.35
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000324979	0	34	-2.0	-101.11	326.47	2.58	-98.53
COC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000324980	1	45	-2.0	-105.65	393.15	3.37	-102.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000324981	1	41	-2.0	-111.25	362.09	3.62	-107.63
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000324982	1	47	-2.0	-110.85	390.06	6.19	-104.66
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=N1	REAL300000324983	1	46	-2.0	-109.30	388.72	5.56	-103.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)N=C1	REAL300000324984	1	43	-2.0	-105.85	364.95	5.28	-100.57
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)N=C1	REAL300000324985	0	44	-2.0	-111.21	385.25	4.10	-107.11
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000324986	0	39	-3.0	-179.16	363.22	4.11	-175.05
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000324986	1	40	-2.0	-110.62	369.77	4.01	-106.61
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000324987	1	44	-2.0	-110.98	379.05	5.45	-105.53
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000324988	0	37	-2.0	-99.83	337.82	2.69	-97.14
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000324989	1	43	-2.0	-110.09	376.98	3.33	-106.76
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)=C1	REAL300000324990	0	41	-2.0	-106.46	363.80	2.64	-103.82
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000324991	1	45	-2.0	-92.97	388.44	4.16	-88.81
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000324992	0	37	-2.0	-98.41	352.41	4.14	-94.27
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000324993	1	44	-2.0	-92.16	385.97	4.53	-87.63
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)N=C1	REAL300000324994	0	40	-2.0	-97.56	355.53	4.36	-93.20
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000324995	0	41	-2.0	-91.32	372.10	3.90	-87.42
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000324996	1	44	-2.0	-111.81	383.95	4.53	-107.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000324997	0	37	-2.0	-103.48	343.42	3.44	-100.04
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000324998	0	37	-2.0	-90.86	347.87	4.11	-86.75
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000324999	0	37	-2.0	-92.77	339.33	3.59	-89.18
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000325000	0	34	-2.0	-94.71	327.08	2.67	-92.04
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000325001	0	37	-2.0	-96.33	341.22	3.61	-92.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)=C1F	REAL300000325002	0	40	-2.0	-104.23	360.56	4.24	-99.99
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000325003	0	37	-2.0	-92.37	340.27	3.62	-88.75
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000325004	1	37	-2.0	-90.80	347.30	3.95	-86.85
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)N=C1	REAL300000325005	0	40	-2.0	-99.26	364.25	4.75	-94.51
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000325006	0	45	-2.0	-90.01	398.55	4.96	-85.05
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000325007	0	37	-2.0	-94.65	345.63	3.64	-91.01
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000325008	0	39	-2.0	-90.56	363.02	4.22	-86.34
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000325009	0	38	-2.0	-106.29	344.53	1.26	-105.03
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000325010	0	40	-2.0	-97.02	356.98	4.32	-92.70
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000325011	0	37	-2.0	-96.07	355.52	4.08	-91.99
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)N=C1	REAL300000325012	1	40	-2.0	-101.24	344.89	4.19	-97.05
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000325013	1	40	-2.0	-104.26	359.65	4.20	-100.06
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)N=C1	REAL300000325014	1	40	-2.0	-93.66	350.23	4.33	-89.33
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000325015	1	43	-2.0	-109.65	371.61	4.71	-104.94
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000325016	0	39	-2.0	-104.01	361.37	4.63	-99.38
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000325017	0	37	-2.0	-94.47	346.57	3.67	-90.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000325018	1	43	-2.0	-105.39	369.29	4.94	-100.45
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000325019	0	40	-2.0	-103.99	356.29	4.15	-99.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)=C1Cl	REAL300000325020	0	40	-2.0	-103.35	366.59	4.69	-98.66
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)=C1	REAL300000325021	0	40	-2.0	-109.57	359.83	4.24	-105.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000325022	1	43	-2.0	-107.18	369.05	4.73	-102.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C=C1CC(=O)[O-]	REAL300000325023	1	44	-2.0	-107.59	385.28	3.67	-103.92
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)N=C1	REAL300000325024	0	40	-2.0	-95.57	365.35	4.81	-90.76
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000325025	0	40	-2.0	-103.06	366.04	4.51	-98.55
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000325026	0	41	-2.0	-104.97	362.84	3.77	-101.20
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000325027	1	49	-2.0	-105.18	399.72	6.40	-98.78
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000325028	1	40	-2.0	-99.80	368.56	4.62	-95.18
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300000325029	0	46	-2.0	-103.36	384.27	5.67	-97.69
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000325030	1	40	-2.0	-93.24	350.82	4.09	-89.15
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000325031	0	42	-2.0	-97.80	378.08	5.73	-92.07
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)N=C1	REAL300000325032	1	40	-2.0	-104.52	354.77	4.37	-100.15
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000325033	0	39	-2.0	-112.13	358.56	5.40	-106.73
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000325034	0	37	-2.0	-108.81	338.44	3.57	-105.24
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000325035	0	40	-2.0	-98.02	359.75	4.23	-93.79
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000325036	0	43	-2.0	-113.48	375.85	5.68	-107.80
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000325037	0	36	-2.0	-102.89	331.03	1.67	-101.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)N=C1	REAL300000325038	0	41	-2.0	-97.31	363.02	3.35	-93.96
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000325039	0	34	-2.0	-93.56	334.96	2.53	-91.03
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000325040	0	44	-2.0	-99.97	380.94	5.43	-94.54
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000325041	0	44	-2.0	-102.35	380.25	5.43	-96.92
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000325042	0	40	-2.0	-99.98	356.95	3.54	-96.44
CC1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000325073	0	40	-2.0	-110.97	356.05	8.50	-102.47
CC1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C	REAL300000325104	0	38	-2.0	-109.69	330.59	6.73	-102.96
CCOC(=O)CN(C1=CC=C(F)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000325156	0	41	-2.0	-110.12	364.48	7.56	-102.56
CC1=CC=C(C)C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000325195	0	40	-2.0	-111.48	360.47	8.64	-102.84
CC1=CC=C(C)C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000325226	0	38	-2.0	-110.07	333.35	6.83	-103.24
CC1=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC(C)=C1	REAL300000325294	0	40	-2.0	-109.58	361.49	8.43	-101.15
CC1=CC(C)=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000325325	0	38	-2.0	-108.64	335.82	6.42	-102.22
CC(=O)NC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000325370	1	35	-2.0	-103.58	342.87	4.55	-99.03
CC(=O)NC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000325372	1	32	-2.0	-101.48	330.60	3.51	-97.97
CC(=O)NC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000325377	1	35	-2.0	-98.32	346.79	4.16	-94.16
CC(=O)NC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000325386	1	32	-2.0	-97.12	329.95	3.61	-93.51
CC(=O)NC1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000325389	0	36	-2.0	-106.80	345.00	3.02	-103.78
CC(=O)NC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000325398	1	35	-2.0	-112.38	341.33	4.50	-107.88
CC(=O)NC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000325399	0	34	-2.0	-103.43	334.68	2.52	-100.91
CC(=O)NC1=CC=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000325401	1	32	-2.0	-110.01	337.96	3.46	-106.55
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000325403	1	35	-2.0	-106.17	338.99	3.84	-102.33
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300000325404	1	35	-2.0	-96.36	334.44	3.82	-92.54
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000325405	1	35	-2.0	-108.44	334.45	3.81	-104.63
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1Cl	REAL300000325406	0	39	-2.0	-107.16	362.59	3.62	-103.54
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1Cl	REAL300000325407	1	39	-2.0	-96.31	365.91	5.11	-91.20
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000325408	1	38	-2.0	-110.78	354.52	4.46	-106.32
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1Cl	REAL300000325409	1	41	-2.0	-105.11	367.13	5.17	-99.94
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000325410	0	35	-2.0	-106.37	339.93	3.87	-102.50
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300000325411	1	41	-2.0	-95.37	378.03	5.40	-89.97
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000325412	0	32	-2.0	-102.89	327.63	2.84	-100.05
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1Cl	REAL300000325413	1	38	-2.0	-103.15	349.88	4.60	-98.55
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1Cl	REAL300000325414	1	39	-2.0	-94.92	365.53	4.10	-90.82
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000325415	0	36	-2.0	-106.77	341.10	3.17	-103.60
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1Cl	REAL300000325416	1	39	-2.0	-111.21	358.66	2.63	-108.58
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1Cl	REAL300000325417	0	35	-2.0	-93.83	343.57	3.50	-90.33
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1Cl	REAL300000325418	1	41	-2.0	-104.50	365.52	5.16	-99.34
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000325419	0	32	-2.0	-104.29	326.10	2.85	-101.44
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1Cl	REAL300000325420	1	39	-2.0	-114.34	361.73	3.88	-110.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC)C(Cl)=C1	REAL300000325421	1	41	-2.0	-109.62	364.59	5.55	-104.07
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000325422	0	35	-2.0	-103.47	337.46	2.96	-100.51
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000325423	0	39	-2.0	-104.28	363.43	2.90	-101.38
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300000325424	0	35	-2.0	-100.02	343.05	3.71	-96.31
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000325425	1	35	-2.0	-96.00	338.97	3.85	-92.15
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000325426	0	32	-2.0	-97.95	326.72	2.94	-95.01
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000325427	0	35	-2.0	-99.49	340.85	3.88	-95.61
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000325428	0	35	-2.0	-95.46	339.92	3.88	-91.58
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000325429	0	36	-2.0	-110.03	344.16	1.51	-108.52
CNC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000325429	1	36	-2.0	-110.60	343.36	2.33	-108.27
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000325430	1	38	-2.0	-99.49	356.63	4.60	-94.89
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000325431	1	38	-2.0	-103.93	344.52	4.45	-99.48
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000325432	1	38	-2.0	-91.67	349.86	4.59	-87.08
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000325433	1	41	-2.0	-111.34	367.34	4.88	-106.46
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1Cl	REAL300000325434	1	41	-2.0	-103.97	368.93	5.21	-98.76
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000325435	1	41	-2.0	-110.12	368.69	5.00	-105.12
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000325436	0	39	-2.0	-107.99	362.48	4.03	-103.96
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1Cl	REAL300000325437	1	38	-2.0	-96.45	350.45	4.36	-92.09
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000325438	0	35	-2.0	-107.54	338.11	3.85	-103.69
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000325439	0	34	-2.0	-99.06	331.43	1.88	-97.18
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1Cl	REAL300000325440	0	39	-2.0	-95.10	362.65	3.62	-91.48
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000325441	0	32	-2.0	-96.93	334.60	2.81	-94.12
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000325442	0	38	-2.0	-103.54	356.58	3.82	-99.72
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000325443	1	33	-2.0	-103.17	330.78	0.06	-103.11
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000325444	1	33	-2.0	-94.55	326.23	0.04	-94.51
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000325445	1	33	-2.0	-105.53	326.26	0.03	-105.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000325446	1	36	-2.0	-108.90	342.33	0.56	-108.34
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000325447	0	33	-2.0	-104.31	331.72	0.10	-104.21
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000325448	0	30	-2.0	-101.46	319.43	-0.95	-102.41
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(S(N)(=O)=O)=C1	REAL300000325449	1	36	-2.0	-108.73	341.68	0.82	-107.91
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000325450	0	34	-2.0	-104.69	332.96	-0.63	-105.32
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC(S(N)(=O)=O)=C2)=C1	REAL300000325451	0	33	-2.0	-96.78	335.36	-0.29	-97.07
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000325452	0	30	-2.0	-102.07	317.95	-0.94	-103.01
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(S(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000325453	0	33	-2.0	-101.79	329.31	-0.83	-102.62
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(S(N)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300000325454	0	33	-2.0	-105.35	334.91	-0.07	-105.42
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000325455	1	33	-2.0	-93.98	330.79	0.07	-93.91
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000325456	0	30	-2.0	-95.87	318.57	-0.85	-96.72
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000325457	0	33	-2.0	-97.25	332.72	0.09	-97.16
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000325458	0	33	-2.0	-93.52	331.71	0.11	-93.41
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000325459	0	34	-2.0	-107.63	335.97	-2.26	-109.89
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000325460	1	36	-2.0	-98.39	348.47	0.81	-97.58
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(S(N)(=O)=O)=C1	REAL300000325461	1	36	-2.0	-101.83	336.34	0.68	-101.15
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(S(N)(=O)=O)=C1	REAL300000325462	1	36	-2.0	-95.27	341.71	0.80	-94.47
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000325463	0	37	-2.0	-105.34	354.28	0.25	-105.09
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(S(N)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000325464	1	36	-2.0	-95.00	342.32	0.57	-94.43
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000325465	0	33	-2.0	-109.11	329.91	0.07	-109.04
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000325466	0	32	-2.0	-104.72	322.52	-1.85	-106.57
NS(=O)(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000325467	0	30	-2.0	-95.23	326.45	-1.00	-96.23
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(S(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000325468	0	36	-2.0	-101.88	348.44	0.02	-101.86
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000325472	0	45	-2.0	-112.37	386.59	6.59	-105.78
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C)=C1	REAL300000325475	0	41	-2.0	-102.36	371.53	7.35	-95.01
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1	REAL300000325478	0	41	-2.0	-104.01	363.92	6.85	-97.16
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1	REAL300000325480	0	38	-2.0	-100.80	351.64	5.81	-94.99
CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000325483	1	42	-2.0	-104.86	365.10	6.15	-98.71
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=C1	REAL300000325485	0	41	-2.0	-96.93	367.56	6.48	-90.45
CCCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1	REAL300000325487	1	38	-2.0	-102.16	350.10	5.82	-96.34
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000325491	0	48	-2.0	-112.03	408.88	7.35	-104.68
CCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000325492	0	44	-2.0	-109.21	385.42	7.30	-101.91
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000325494	0	41	-2.0	-100.70	361.46	5.93	-94.77
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000325495	0	45	-2.0	-107.05	387.37	5.88	-101.17
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=C1	REAL300000325497	1	44	-2.0	-98.41	379.16	7.61	-90.80
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300000325500	1	41	-2.0	-104.14	368.14	6.68	-97.46
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=C1	REAL300000325501	1	41	-2.0	-91.52	371.51	7.35	-84.17
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1	REAL300000325503	0	38	-2.0	-95.65	350.72	5.92	-89.73
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000325504	1	41	-2.0	-97.39	364.87	6.85	-90.54
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C)=C1	REAL300000325505	0	44	-2.0	-105.46	384.21	7.49	-97.97
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300000325506	0	41	-2.0	-93.28	363.90	6.86	-86.42
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C)=C1	REAL300000325510	1	43	-2.0	-91.42	386.64	7.46	-83.96
CCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1	REAL300000325511	0	42	-2.0	-104.78	362.30	5.37	-99.41
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1	REAL300000325511	1	42	-2.0	-106.93	368.17	4.49	-102.44
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300000325517	1	43	-2.0	-104.66	385.03	7.89	-96.77
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=C1	REAL300000325518	0	41	-2.0	-95.56	370.21	6.91	-88.65
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C)=C1	REAL300000325520	0	44	-2.0	-106.32	383.77	7.49	-98.83
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C)=C1	REAL300000325521	0	44	-2.0	-104.17	390.21	7.92	-96.25
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000325522	0	44	-2.0	-110.88	383.50	7.48	-103.40
CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C)=C1	REAL300000325527	1	45	-2.0	-106.20	386.47	7.01	-99.19
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C)=C1	REAL300000325531	0	43	-2.0	-113.11	382.19	8.64	-104.47
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000325532	0	41	-2.0	-110.14	362.09	6.82	-103.32
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1	REAL300000325535	0	40	-2.0	-104.19	354.66	4.90	-99.29
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300000325536	1	45	-2.0	-98.27	386.65	6.60	-91.67
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000325537	0	38	-2.0	-94.43	358.56	5.77	-88.66
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000325540	0	44	-2.0	-100.61	380.58	6.78	-93.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2COC2=CC=CC=C2)C=C1	REAL300000325541	1	42	-2.0	-96.24	374.02	8.45	-87.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2COC2=CC=CC=C2)=C1	REAL300000325542	1	42	-2.0	-109.00	374.03	8.45	-100.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2COC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000325543	1	45	-2.0	-110.30	390.06	8.98	-101.32
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2COC2=CC=CC=C2)=C1	REAL300000325544	0	39	-2.0	-103.20	367.21	7.46	-95.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1COC1=CC=CC=C1	REAL300000325545	1	45	-2.0	-109.30	389.47	9.23	-100.07
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2COC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000325546	0	43	-2.0	-107.33	380.68	7.79	-99.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2COC2=CC=CC=C2)=CS1	REAL300000325547	0	39	-2.0	-104.69	365.68	7.48	-97.21
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2COC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000325548	0	42	-2.0	-102.34	377.03	7.58	-94.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2COC2=CC=CC=C2)S1	REAL300000325549	0	39	-2.0	-98.11	366.29	7.58	-90.53
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2COC2=CC=CC=C2)=C1	REAL300000325550	0	43	-2.0	-107.89	383.74	6.16	-101.73
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2COC2=CC=CC=C2)=C1	REAL300000325550	1	43	-2.0	-108.15	378.35	7.02	-101.13
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2COC2=CC=CC=C2)C=C1	REAL300000325551	1	45	-2.0	-99.48	396.21	9.22	-90.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1COC1=CC=CC=C1	REAL300000325552	1	45	-2.0	-105.68	384.07	9.09	-96.59
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1COC1=CC=CC=C1	REAL300000325553	1	45	-2.0	-96.16	389.44	9.22	-86.94
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2COC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000325554	1	45	-2.0	-96.40	390.04	8.99	-87.41
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2COC2=CC=CC=C2)=C1	REAL300000325555	0	41	-2.0	-106.93	370.24	6.56	-100.37
COC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000325556	0	32	-2.0	-96.88	316.20	4.98	-91.90
COC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000325557	0	32	-2.0	-109.51	316.20	4.97	-104.54
COC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000325558	0	29	-2.0	-103.99	309.39	3.98	-100.01
COC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000325559	0	33	-2.0	-107.81	322.85	4.32	-103.49
COC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000325560	0	29	-2.0	-105.32	307.86	4.00	-101.32
COC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000325561	0	32	-2.0	-103.34	319.21	4.10	-99.24
COC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000325562	0	29	-2.0	-98.80	308.47	4.09	-94.71
COC1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000325563	0	31	-2.0	-106.85	313.17	3.03	-103.82
CN(C1=CC=C(C(N)=O)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000325591	0	38	-2.0	-109.44	352.22	3.67	-105.77
CN(C1=CC=C(C(N)=O)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000325616	0	36	-2.0	-105.92	317.41	1.81	-104.11
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300000325651	1	37	-2.0	-88.26	354.83	6.99	-81.27
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000325652	1	37	-2.0	-99.80	354.84	6.98	-92.82
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000325653	1	40	-2.0	-102.07	374.91	7.63	-94.44
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000325654	0	34	-2.0	-94.37	348.02	6.00	-88.37
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1Cl	REAL300000325655	1	40	-2.0	-100.85	370.27	7.78	-93.07
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000325656	0	38	-2.0	-98.38	361.49	6.33	-92.05
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000325657	0	34	-2.0	-95.79	346.49	6.02	-89.77
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000325658	0	37	-2.0	-94.35	357.84	6.13	-88.22
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000325659	0	34	-2.0	-89.66	347.11	6.11	-83.55
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Cl	REAL300000325660	0	38	-2.0	-99.68	364.55	4.69	-94.99
CCOC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Cl	REAL300000325660	1	38	-2.0	-99.87	353.57	5.58	-94.29
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000325661	1	40	-2.0	-91.35	377.01	7.77	-83.58
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000325662	1	40	-2.0	-96.28	364.91	7.62	-88.66
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1Cl	REAL300000325663	1	40	-2.0	-88.66	370.25	7.76	-80.90
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Cl	REAL300000325664	1	40	-2.0	-88.25	370.84	7.53	-80.72
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000325665	0	36	-2.0	-96.84	351.83	5.04	-91.80
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C	REAL300000325666	1	42	-2.0	-88.76	371.71	3.64	-85.12
COC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1C	REAL300000325668	0	43	-2.0	-106.36	374.88	6.14	-100.22
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1C	REAL300000325671	0	39	-2.0	-113.26	343.40	4.85	-108.41
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C	REAL300000325674	0	35	-2.0	-103.32	328.33	5.62	-97.70
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=C1C	REAL300000325676	0	35	-2.0	-98.94	340.83	6.00	-92.94
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000325678	0	35	-2.0	-104.93	320.73	5.11	-99.82
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000325680	0	32	-2.0	-101.81	308.44	4.07	-97.74
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000325683	1	36	-2.0	-106.01	321.90	4.40	-101.61
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C	REAL300000325685	0	35	-2.0	-97.99	324.38	4.73	-93.26
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C	REAL300000325687	1	32	-2.0	-103.27	306.91	4.08	-99.19
COC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1C	REAL300000325693	0	42	-2.0	-113.80	365.69	5.61	-108.19
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000325694	0	38	-2.0	-109.99	350.23	5.49	-104.50
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C	REAL300000325696	0	35	-2.0	-101.56	318.26	4.19	-97.37
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C	REAL300000325698	0	39	-2.0	-108.64	344.24	4.15	-104.49
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000325700	1	35	-2.0	-97.12	342.94	5.90	-91.22
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C	REAL300000325701	1	35	-2.0	-99.92	332.85	5.63	-94.29
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C	REAL300000325705	1	38	-2.0	-99.10	335.97	5.87	-93.23
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C	REAL300000325709	1	35	-2.0	-105.06	323.86	4.94	-100.12
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C1C	REAL300000325710	0	35	-2.0	-97.02	343.48	6.07	-90.95
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000325711	1	35	-2.0	-92.65	328.31	5.61	-87.04
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000325713	0	32	-2.0	-96.80	307.53	4.18	-92.62
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000325714	1	35	-2.0	-98.39	321.66	5.12	-93.27
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C	REAL300000325715	0	38	-2.0	-106.43	341.03	5.75	-100.68
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000325716	0	39	-2.0	-97.30	355.57	5.67	-91.63
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000325717	0	35	-2.0	-94.45	320.72	5.12	-89.33
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C	REAL300000325720	1	43	-2.0	-91.56	379.00	6.46	-85.10
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000325721	1	35	-2.0	-96.52	326.08	5.14	-91.38
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C	REAL300000325722	1	37	-2.0	-92.44	343.45	5.72	-86.72
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C	REAL300000325723	0	36	-2.0	-107.65	324.97	2.76	-104.89
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C	REAL300000325723	1	36	-2.0	-105.49	324.16	3.58	-101.91
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300000325730	1	37	-2.0	-105.82	341.82	6.14	-99.68
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000325731	0	35	-2.0	-96.47	327.01	5.18	-91.29
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C	REAL300000325733	0	38	-2.0	-106.13	336.73	5.65	-100.48
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C	REAL300000325734	0	38	-2.0	-105.13	347.00	6.18	-98.95
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C	REAL300000325735	0	38	-2.0	-112.28	340.29	5.74	-106.54
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C(C)=C2)C=C1C(=O)[O-]	REAL300000325741	1	39	-2.0	-107.31	343.27	5.26	-102.05
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=C1C	REAL300000325743	0	35	-2.0	-95.14	340.86	5.61	-89.53
COC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C	REAL300000325745	1	44	-2.0	-104.75	364.72	7.18	-97.57
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1C	REAL300000325746	1	39	-2.0	-108.94	355.58	5.68	-103.26
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C	REAL300000325748	0	40	-2.0	-100.26	358.52	7.24	-93.02
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C	REAL300000325750	0	37	-2.0	-114.62	338.98	6.90	-107.72
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000325751	0	35	-2.0	-111.50	318.87	5.08	-106.42
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000325754	0	34	-2.0	-105.26	311.48	3.18	-102.08
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1C	REAL300000325755	0	39	-2.0	-99.42	343.46	4.85	-94.57
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000325756	0	32	-2.0	-95.30	315.40	4.03	-91.27
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000325759	0	38	-2.0	-101.50	337.39	5.04	-96.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)C=C1	REAL300000325760	1	42	-2.0	-97.89	376.95	8.29	-89.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)=C1	REAL300000325761	1	42	-2.0	-110.10	376.95	8.29	-101.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000325762	1	45	-2.0	-112.48	392.97	8.82	-103.66
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)=C1	REAL300000325763	0	39	-2.0	-104.45	370.13	7.31	-97.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COC2=CC=CC=C2)=C1	REAL300000325764	1	45	-2.0	-110.54	392.38	9.08	-101.46
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000325765	0	43	-2.0	-108.61	383.60	7.64	-100.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)=CS1	REAL300000325766	0	39	-2.0	-105.91	368.60	7.32	-98.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000325767	0	42	-2.0	-103.75	379.96	7.43	-96.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)S1	REAL300000325768	0	39	-2.0	-99.89	369.22	7.42	-92.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)=C1	REAL300000325769	0	43	-2.0	-109.52	386.67	6.01	-103.51
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(COC3=CC=CC=C3)=C2)=C1	REAL300000325769	1	43	-2.0	-106.59	385.76	6.88	-99.71
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)C=C1	REAL300000325770	1	45	-2.0	-101.29	399.14	9.06	-92.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(COC2=CC=CC=C2)=C1	REAL300000325771	1	45	-2.0	-107.47	387.02	8.92	-98.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000325773	1	45	-2.0	-98.09	392.96	8.83	-89.26
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)=C1	REAL300000325774	0	41	-2.0	-108.05	373.17	6.42	-101.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=CC=C1F	REAL300000325775	1	37	-2.0	-115.61	347.40	8.20	-107.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1	REAL300000325776	1	37	-2.0	-103.52	342.85	8.17	-95.35
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300000325777	1	37	-2.0	-114.39	342.86	8.16	-106.23
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CN1C=NC=N1	REAL300000325778	0	41	-2.0	-118.89	371.01	7.96	-110.93
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1	REAL300000325779	1	41	-2.0	-102.50	374.31	9.46	-93.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1C(=O)[O-]	REAL300000325780	1	40	-2.0	-119.73	358.88	8.69	-111.04
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300000325781	0	37	-2.0	-109.86	354.56	8.78	-101.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=CC=C1Cl	REAL300000325782	1	37	-2.0	-114.06	355.37	8.56	-105.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1C	REAL300000325783	1	43	-2.0	-116.35	373.30	9.59	-106.76
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300000325784	0	37	-2.0	-112.40	348.34	8.23	-104.17
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1	REAL300000325785	1	43	-2.0	-101.57	386.44	9.75	-91.82
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300000325786	0	34	-2.0	-109.36	336.06	7.18	-102.18
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CN1C=NC=N1	REAL300000325787	1	40	-2.0	-114.39	355.43	9.05	-105.34
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1	REAL300000325788	1	41	-2.0	-100.89	373.93	8.45	-92.44
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1C(=O)[O-]	REAL300000325789	0	38	-2.0	-113.00	349.51	7.51	-105.49
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300000325791	0	37	-2.0	-107.50	351.98	7.85	-99.65
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1C(=O)[O-]	REAL300000325792	1	43	-2.0	-116.89	375.41	9.69	-107.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=CS1	REAL300000325793	0	34	-2.0	-113.61	334.51	7.20	-106.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1C(=O)[O-]	REAL300000325794	1	41	-2.0	-120.08	370.15	8.23	-111.85
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CN1C=NC=N1	REAL300000325795	1	43	-2.0	-116.49	366.07	9.49	-107.00
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300000325796	1	44	-2.0	-118.80	383.75	10.18	-108.62
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C(C(=O)[O-])O1	REAL300000325797	0	37	-2.0	-108.00	345.87	7.30	-100.70
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300000325798	0	41	-2.0	-116.33	371.78	7.25	-109.08
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CN1C=NC=N1	REAL300000325799	1	40	-2.0	-105.65	360.66	9.08	-96.57
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C(C(=O)[O-])S1	REAL300000325800	0	37	-2.0	-111.12	350.01	8.11	-103.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C(Cl)=C1	REAL300000325801	0	37	-2.0	-100.18	354.68	8.77	-91.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1F	REAL300000325802	1	37	-2.0	-103.25	347.39	8.21	-95.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)S1	REAL300000325803	0	34	-2.0	-106.06	335.12	7.30	-98.76
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300000325804	1	37	-2.0	-108.79	349.28	8.22	-100.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1F	REAL300000325805	0	40	-2.0	-113.98	368.62	8.86	-105.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C(F)=C1	REAL300000325806	0	37	-2.0	-103.02	348.32	8.24	-94.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1Cl	REAL300000325807	1	37	-2.0	-101.18	355.36	8.57	-92.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=CC(F)=C1F	REAL300000325808	1	37	-2.0	-103.66	353.68	8.26	-95.40
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300000325809	0	38	-2.0	-113.25	351.08	6.06	-107.19
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2CN2C=NC=N2)=C1	REAL300000325809	1	38	-2.0	-111.06	342.51	6.81	-104.25
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1	REAL300000325810	1	40	-2.0	-107.13	365.04	8.94	-98.19
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CN1C=NC=N1	REAL300000325811	1	40	-2.0	-112.46	350.51	8.88	-103.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=CC(C(=O)[O-])=C1F	REAL300000325812	1	40	-2.0	-117.24	367.70	8.81	-108.43
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CN1C=NC=N1	REAL300000325813	1	40	-2.0	-102.35	355.35	9.04	-93.31
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=CC(C(=O)[O-])=C1C	REAL300000325814	1	43	-2.0	-117.68	375.74	9.22	-108.46
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300000325815	0	37	-2.0	-104.62	354.61	8.29	-96.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C(C)=C1C(=O)[O-]	REAL300000325816	1	43	-2.0	-118.09	373.74	9.67	-108.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1C(=O)[O-]	REAL300000325817	0	40	-2.0	-114.77	368.18	8.86	-105.91
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300000325818	0	40	-2.0	-122.05	367.91	8.86	-113.19
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1C(=O)[O-]	REAL300000325819	1	43	-2.0	-120.47	377.19	9.35	-111.12
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1C(=O)[O-]	REAL300000325820	0	41	-2.0	-114.20	370.88	8.39	-105.81
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=CC=C1C(=O)[O-]	REAL300000325821	1	40	-2.0	-105.00	362.93	8.81	-96.19
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CN1C=NC=N1	REAL300000325822	1	40	-2.0	-111.55	359.85	9.08	-102.47
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1F	REAL300000325823	0	37	-2.0	-121.07	346.50	8.19	-112.88
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C1C(=O)[O-]	REAL300000325824	1	40	-2.0	-106.62	364.03	8.74	-97.88
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300000325825	0	36	-2.0	-115.82	339.07	6.28	-109.54
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CN1C=NC=N1	REAL300000325826	0	41	-2.0	-106.09	371.06	7.96	-98.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)=C(Cl)O1	REAL300000325827	0	34	-2.0	-103.13	342.97	7.14	-95.99
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3CN3C=NC=N3)C=C2)CC1	REAL300000325828	1	44	-2.0	-108.81	388.99	10.05	-98.76
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3CN3C=NC=N3)C=C2C1	REAL300000325829	1	44	-2.0	-113.56	386.95	10.03	-103.53
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C=NC=N2)C=C(C(=O)[O-])O1	REAL300000325830	0	40	-2.0	-107.27	351.51	7.86	-99.41
CCN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000325858	0	43	-2.0	-109.65	382.71	9.30	-100.35
CCN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000325883	0	41	-2.0	-109.10	356.55	7.15	-101.95
CCN(C1=CC(C)=CC=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000325944	0	43	-2.0	-111.30	377.94	9.25	-102.05
CCN(C1=CC(C)=CC=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000325969	0	41	-2.0	-110.70	349.28	7.51	-103.19
CCN(C1=CC=C(C)C=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000326028	0	43	-2.0	-110.87	377.22	9.20	-101.67
CCN(C1=CC=C(C)C=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000326051	0	41	-2.0	-109.59	346.80	7.30	-102.29
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(N3CCOC3=O)=CC=C2F)=C1	REAL300000326088	1	37	-2.0	-124.14	341.60	5.29	-118.85
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(N3CCOC3=O)=CC=C2F)=C1	REAL300000326089	0	34	-2.0	-121.69	329.31	4.26	-117.43
CC1=C(S(=O)(=O)[N-]C2=CC(N3CCOC3=O)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000326093	1	37	-2.0	-120.28	339.14	4.38	-115.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(N3CCOC3=O)=CC=C2F)S1	REAL300000326095	1	34	-2.0	-116.40	328.39	4.37	-112.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(N3CCOC3=O)=CC=C2F)C(F)=C1	REAL300000326097	1	37	-2.0	-114.28	341.59	5.31	-108.97
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(N3CCOC3=O)=CC=C2F)=C1	REAL300000326098	0	38	-2.0	-128.02	348.51	3.69	-124.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(N3CCOC3=O)=CC=C2F)=C1F	REAL300000326104	1	37	-2.0	-133.22	339.76	5.26	-127.96
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(N3CCOC3=O)=CC=C2F)=C1	REAL300000326105	0	36	-2.0	-123.60	333.10	3.32	-120.28
CCC1=C(S(=O)(=O)[N-]C2=CC(N3CCOC3=O)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000326106	1	40	-2.0	-119.82	358.25	5.23	-114.59
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000326107	1	42	-2.0	-107.95	383.18	6.47	-101.48
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000326109	1	42	-2.0	-110.51	378.67	6.44	-104.07
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000326111	0	42	-2.0	-108.45	384.12	6.50	-101.95
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000326112	0	39	-2.0	-104.95	371.83	5.45	-99.50
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000326113	1	45	-2.0	-111.99	394.09	7.22	-104.77
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000326114	1	43	-2.0	-109.09	385.31	5.79	-103.30
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000326115	0	42	-2.0	-99.14	387.76	6.11	-93.03
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000326116	0	39	-2.0	-107.75	370.30	5.47	-102.28
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000326117	0	42	-2.0	-105.01	381.69	5.58	-99.43
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000326118	1	42	-2.0	-108.51	387.29	6.32	-102.19
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000326119	1	42	-2.0	-98.45	383.19	6.48	-91.97
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000326120	0	39	-2.0	-100.78	370.92	5.56	-95.22
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000326121	1	42	-2.0	-101.51	385.06	6.51	-95.00
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000326122	0	42	-2.0	-98.34	384.12	6.51	-91.83
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000326123	0	43	-2.0	-111.42	388.38	4.14	-107.28
CCOC(=O)N(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000326123	1	43	-2.0	-106.94	387.61	4.95	-101.99
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000326124	1	45	-2.0	-99.90	400.83	7.21	-92.69
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000326125	1	45	-2.0	-108.59	394.79	7.25	-101.34
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000326127	1	46	-2.0	-110.35	406.67	6.65	-103.70
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000326129	0	42	-2.0	-115.86	382.32	6.47	-109.39
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000326130	0	41	-2.0	-109.50	374.86	4.55	-104.95
CCOC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000326131	0	45	-2.0	-105.09	400.77	6.43	-98.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)=CC=C1F	REAL300000326132	1	36	-2.0	-105.71	344.84	5.26	-100.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)C=C1	REAL300000326133	1	36	-2.0	-95.79	340.28	5.24	-90.55
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)=C1	REAL300000326134	1	36	-2.0	-108.26	340.31	5.22	-103.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)C=C1C(=O)[O-]	REAL300000326135	1	39	-2.0	-109.38	356.32	5.75	-103.63
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)=C1	REAL300000326136	0	36	-2.0	-105.66	345.78	5.28	-100.38
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)=C1	REAL300000326137	0	33	-2.0	-102.75	333.49	4.24	-98.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NCC(F)(F)F	REAL300000326138	1	39	-2.0	-109.09	355.74	6.00	-103.09
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)C=C1C(=O)[O-]	REAL300000326139	0	37	-2.0	-106.64	346.94	4.57	-102.07
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)=C1	REAL300000326140	0	36	-2.0	-98.93	349.44	4.91	-94.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)=CS1	REAL300000326141	0	33	-2.0	-103.94	331.95	4.25	-99.69
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)C=C(C(=O)[O-])O1	REAL300000326142	0	36	-2.0	-102.46	343.31	4.37	-98.09
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)C=C(C(=O)[O-])S1	REAL300000326143	0	36	-2.0	-105.68	348.93	5.12	-100.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)C=C1F	REAL300000326144	1	36	-2.0	-95.32	344.84	5.27	-90.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)S1	REAL300000326145	0	33	-2.0	-97.70	332.57	4.35	-93.35
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)=C1	REAL300000326146	1	36	-2.0	-99.16	346.71	5.29	-93.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)C(F)=C1	REAL300000326147	0	36	-2.0	-95.27	345.76	5.29	-89.98
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)=C1	REAL300000326148	0	37	-2.0	-108.25	350.02	2.94	-105.31
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2NCC(F)(F)F)=C1	REAL300000326148	1	37	-2.0	-106.71	344.62	3.76	-102.95
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)C=C1	REAL300000326149	1	39	-2.0	-99.25	362.48	6.00	-93.25
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NCC(F)(F)F	REAL300000326150	1	39	-2.0	-104.09	350.34	5.87	-98.22
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NCC(F)(F)F	REAL300000326151	1	39	-2.0	-95.98	355.72	5.99	-89.99
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)C=C1C(=O)[O-]	REAL300000326152	0	40	-2.0	-107.90	368.33	5.43	-102.47
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)=CC=C1C(=O)[O-]	REAL300000326153	1	39	-2.0	-97.52	360.37	5.87	-91.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)=C1F	REAL300000326154	0	36	-2.0	-111.97	343.94	5.25	-106.72
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)=C1	REAL300000326155	0	35	-2.0	-106.09	336.51	3.33	-102.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)=C(Cl)O1	REAL300000326156	0	33	-2.0	-96.37	340.41	4.20	-92.17
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NCC(F)(F)F)C=C(C(=O)[O-])O1	REAL300000326157	0	39	-2.0	-102.21	362.42	5.22	-96.99
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1C(=O)[O-]	REAL300000326162	0	31	-2.0	-141.48	296.47	6.23	-135.25
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326163	0	34	-2.0	-108.81	326.58	5.61	-103.20
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1C(=O)[O-]	REAL300000326164	1	30	-2.0	-121.59	299.82	4.58	-117.01
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1C(=O)[O-]	REAL300000326167	1	31	-2.0	-129.79	310.20	6.52	-123.27
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326171	0	34	-2.0	-122.81	326.12	6.49	-116.32
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Br)S2)=C1C(=O)[O-]	REAL300000326175	0	28	-2.0	-119.88	294.55	5.67	-114.21
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000326180	0	34	-2.0	-108.65	321.73	6.45	-102.20
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326181	1	39	-2.0	-141.53	345.70	5.02	-136.51
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1F	REAL300000326184	0	33	-2.0	-121.78	301.04	4.91	-116.87
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326186	0	34	-2.0	-124.13	321.85	6.44	-117.69
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1C(=O)[O-]	REAL300000326188	1	31	-2.0	-127.18	317.82	7.02	-120.16
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000326192	1	34	-2.0	-128.96	305.05	7.27	-121.69
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1C(=O)[O-]	REAL300000326201	1	31	-2.0	-124.61	309.29	6.95	-117.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326206	0	38	-2.0	-106.24	347.12	6.44	-99.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326206	1	37	-3.0	-213.45	344.56	6.31	-207.14
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000326207	0	38	-2.0	-103.18	353.19	7.73	-95.45
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1C(=O)[O-]	REAL300000326208	0	28	-2.0	-119.58	289.92	5.56	-114.02
COC1=CC=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326210	1	35	-2.0	-140.43	316.21	5.74	-134.69
CC1=CC=C(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000326211	0	37	-2.0	-108.75	337.99	6.98	-101.77
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326212	1	42	-2.0	-141.23	371.81	4.61	-136.62
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1C(=O)[O-]	REAL300000326213	1	31	-2.0	-122.42	299.01	6.12	-116.30
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1C(=O)[O-]	REAL300000326215	1	31	-2.0	-133.20	301.11	6.51	-126.69
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CS2)=C1C(=O)[O-]	REAL300000326220	0	28	-2.0	-131.04	279.89	4.96	-126.08
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000326222	0	33	-2.0	-146.78	305.99	7.29	-139.49
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1C(=O)[O-]	REAL300000326225	1	31	-2.0	-128.67	299.87	6.07	-122.60
CC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])S1	REAL300000326237	1	31	-2.0	-127.54	294.76	5.74	-121.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])=C1C	REAL300000326238	0	40	-2.0	-104.63	348.73	7.62	-97.01
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326239	1	35	-2.0	-132.16	332.95	6.25	-125.91
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C(=O)[O-]	REAL300000326240	0	34	-2.0	-112.34	321.16	6.19	-106.15
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C(=O)[O-]	REAL300000326240	1	33	-3.0	-205.69	321.90	6.57	-199.12
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1C(=O)[O-]	REAL300000326241	1	28	-2.0	-122.01	310.84	6.10	-115.91
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1C(=O)[O-]	REAL300000326244	1	31	-2.0	-131.96	299.87	6.07	-125.89
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000326245	0	40	-2.0	-102.61	365.31	8.03	-94.58
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C(=O)[O-]	REAL300000326253	0	30	-3.0	-198.72	302.59	5.52	-193.20
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C(=O)[O-]	REAL300000326253	1	31	-2.0	-117.51	315.19	5.50	-112.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326255	0	37	-2.0	-103.46	331.50	7.07	-96.39
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1F	REAL300000326256	1	37	-2.0	-130.75	324.66	4.99	-125.76
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=CS1	REAL300000326266	1	34	-2.0	-137.22	320.53	6.24	-130.98
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000326268	0	38	-2.0	-103.83	352.82	6.72	-97.11
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC=C2F)=C1C(=O)[O-]	REAL300000326273	1	31	-2.0	-138.82	293.44	6.01	-132.81
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)=C1C(=O)[O-]	REAL300000326274	1	36	-2.0	-127.17	343.09	4.96	-122.21
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=C(F)C=CC(C)=C3C(=O)[O-])=C2N=C1	REAL300000326276	1	39	-2.0	-146.94	342.31	7.23	-139.71
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1C(=O)[O-]	REAL300000326279	1	35	-2.0	-135.71	332.70	6.22	-129.49
COC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000326283	0	37	-2.0	-142.03	338.51	6.63	-135.40
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000326292	1	38	-2.0	-148.34	349.02	4.88	-143.46
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=C1OC	REAL300000326296	1	39	-2.0	-129.02	345.14	5.21	-123.81
CC1=CC=C(F)C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326298	0	35	-2.0	-124.42	328.35	5.79	-118.63
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=C1C(=O)[O-]	REAL300000326299	0	31	-2.0	-134.82	298.43	5.52	-129.30
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326301	0	38	-2.0	-103.36	340.40	5.15	-98.21
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C)N=C2)=C1C(=O)[O-]	REAL300000326309	1	31	-2.0	-128.13	292.51	3.67	-124.46
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=C(F)C=CC(C)=C3C(=O)[O-])C=N2)C=C1	REAL300000326314	1	41	-2.0	-131.04	369.93	7.75	-123.29
CC1=CC=C(F)C([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C1C(=O)[O-]	REAL300000326315	1	38	-2.0	-117.68	340.50	6.37	-111.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326318	0	34	-2.0	-105.87	330.85	6.13	-99.74
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326318	1	33	-3.0	-194.26	318.54	6.18	-188.08
CC1=CC(C)=C(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000326321	0	40	-2.0	-103.53	346.51	7.57	-95.96
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1C(=O)[O-]	REAL300000326325	1	31	-2.0	-130.26	302.64	6.49	-123.77
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326327	1	37	-2.0	-125.14	344.43	6.40	-118.74
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326331	1	34	-2.0	-139.48	314.87	6.67	-132.81
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000326333	0	36	-2.0	-145.74	326.26	8.28	-137.46
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)=C1C(=O)[O-]	REAL300000326334	1	39	-2.0	-129.28	346.24	5.18	-124.10
CC1=CC=C(F)C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326339	0	31	-2.0	-120.39	313.28	5.48	-114.91
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1Cl	REAL300000326340	1	34	-2.0	-128.46	323.30	7.84	-120.62
COC1=CC=C(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000326341	0	38	-2.0	-112.03	349.03	6.51	-105.52
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Br)C=CS2)=C1C(=O)[O-]	REAL300000326342	0	28	-2.0	-122.41	293.26	5.49	-116.92
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000326345	0	33	-2.0	-131.81	308.43	7.41	-124.40
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C(=O)[O-]	REAL300000326346	0	43	-2.0	-114.54	371.38	7.83	-106.71
CC1=CC=C([O-])C(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326352	1	35	-2.0	-132.06	317.55	5.56	-126.50
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326353	0	40	-2.0	-109.26	345.54	7.63	-101.63
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1C(=O)[O-]	REAL300000326354	1	34	-2.0	-132.90	320.45	6.85	-126.05
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326355	0	41	-2.0	-105.75	369.40	7.22	-98.53
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326355	1	40	-3.0	-211.95	366.85	7.07	-204.88
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326356	0	36	-3.0	-195.11	350.43	7.03	-188.08
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])S1	REAL300000326357	0	34	-2.0	-120.13	328.83	5.70	-114.43
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C(=O)[O-]	REAL300000326358	0	41	-2.0	-106.41	363.06	8.29	-98.12
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=C1C	REAL300000326359	0	39	-2.0	-141.15	337.81	8.50	-132.65
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1C(=O)[O-]	REAL300000326361	0	31	-2.0	-124.52	295.86	6.28	-118.24
CC1=C(S(=O)(=O)NC2=C(C(=O)[O-])C(C)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000326362	0	34	-2.0	-105.20	320.11	5.51	-99.69
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000326362	1	33	-3.0	-193.59	312.42	5.64	-187.95
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1C(=O)[O-]	REAL300000326363	0	34	-2.0	-150.37	309.14	5.13	-145.24
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326364	1	37	-2.0	-137.98	348.22	6.65	-131.33
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326365	1	41	-2.0	-143.27	359.48	7.32	-135.95
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000326368	0	33	-2.0	-145.12	321.85	8.08	-137.04
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1C(=O)[O-]	REAL300000326370	1	30	-2.0	-122.52	304.30	4.74	-117.78
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000326372	0	33	-2.0	-150.08	313.94	7.55	-142.53
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326373	0	38	-2.0	-127.42	347.28	5.76	-121.66
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326373	1	37	-3.0	-214.75	345.39	5.59	-209.16
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000326374	1	38	-2.0	-127.07	341.54	7.07	-120.00
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000326375	1	41	-2.0	-125.33	366.94	7.51	-117.82
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1C(=O)[O-]	REAL300000326376	1	30	-2.0	-122.23	289.38	4.22	-118.01
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326379	0	34	-2.0	-125.99	329.00	5.60	-120.39
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1C(=O)[O-]	REAL300000326382	1	30	-2.0	-117.62	306.10	5.06	-112.56
CC1=CC(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300000326383	0	41	-2.0	-105.03	372.89	7.43	-97.60
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C)C=N2)=C1C(=O)[O-]	REAL300000326384	0	31	-2.0	-144.67	292.14	5.03	-139.64
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C(C)=CC=C3F)C=C12	REAL300000326387	1	35	-2.0	-120.65	327.71	2.92	-117.73
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1C(=O)[O-]	REAL300000326389	1	31	-2.0	-131.67	292.75	6.05	-125.62
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000326390	0	35	-2.0	-131.32	318.96	5.51	-125.81
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000326391	0	33	-2.0	-132.02	318.76	7.86	-124.16
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C(=O)[O-]	REAL300000326392	0	37	-2.0	-99.89	336.31	7.06	-92.83
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1C(=O)[O-]	REAL300000326393	1	37	-2.0	-134.85	324.07	5.59	-129.26
CC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2F)=CN1C	REAL300000326394	0	34	-2.0	-143.16	311.50	4.84	-138.32
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1C(=O)[O-]	REAL300000326395	1	35	-2.0	-135.01	325.96	6.01	-129.00
CCN1C=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=N1	REAL300000326397	1	34	-2.0	-128.58	314.04	4.52	-124.06
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=C1C(=O)[O-]	REAL300000326400	1	34	-2.0	-130.69	332.52	7.01	-123.68
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1C(=O)[O-]	REAL300000326401	0	31	-2.0	-127.56	313.02	6.05	-121.51
CCOC1=CC=C(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000326402	0	41	-2.0	-114.97	370.71	7.43	-107.54
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1C(=O)[O-]	REAL300000326405	1	31	-2.0	-126.93	307.49	6.57	-120.36
CC1=NNC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1F	REAL300000326409	1	31	-2.0	-120.93	281.33	2.98	-117.95
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])S1	REAL300000326412	0	37	-2.0	-131.45	342.58	4.16	-127.29
CC1=CC=C(F)C([N-]S(=O)(=O)C2=NN(C)C=C2)=C1C(=O)[O-]	REAL300000326413	0	31	-2.0	-134.61	285.79	3.47	-131.14
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NN2C)=C1C(=O)[O-]	REAL300000326414	1	31	-2.0	-119.17	281.19	3.58	-115.59
CC1=CC=C(F)C([N-]S(=O)(=O)CC2CCCO2)=C1C(=O)[O-]	REAL300000326415	1	35	-2.0	-127.32	300.32	4.16	-123.16
CC1=CC=C(F)C([N-]S(=O)(=O)CC2CCCCO2)=C1C(=O)[O-]	REAL300000326416	1	38	-2.0	-131.05	324.83	5.23	-125.82
CC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000326417	1	34	-2.0	-133.80	307.88	6.67	-127.13
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])O1	REAL300000326419	0	34	-2.0	-126.20	327.51	4.73	-121.47
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1C(=O)[O-]	REAL300000326420	1	36	-2.0	-146.46	320.86	6.57	-139.89
CC1=C(S(=O)(=O)NC2=C(C(=O)[O-])C(C)=CC=C2F)C=C(C(=O)[O-])S1	REAL300000326421	0	34	-2.0	-103.25	327.03	6.25	-97.00
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326423	1	35	-2.0	-133.63	330.56	5.81	-127.82
CC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=CN=C1Cl	REAL300000326424	1	33	-2.0	-118.39	311.62	5.16	-113.23
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1F	REAL300000326429	1	43	-2.0	-132.13	367.14	6.56	-125.57
CC1=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])SC=C1	REAL300000326430	1	31	-2.0	-127.93	291.69	5.56	-122.37
CCN1N=C(C)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1C	REAL300000326431	1	40	-2.0	-131.19	346.47	5.86	-125.33
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000326437	1	36	-2.0	-125.29	330.64	7.19	-118.10
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326440	0	35	-2.0	-134.39	325.64	6.38	-128.01
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=C1C(=O)[O-]	REAL300000326446	1	37	-2.0	-129.21	332.73	5.05	-124.16
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=N1	REAL300000326448	1	37	-2.0	-136.84	347.32	4.72	-132.12
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=C1C(=O)[O-]	REAL300000326449	0	37	-2.0	-135.17	324.77	4.38	-130.79
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2F)C=NN1C1=CC=CC=N1	REAL300000326452	1	40	-2.0	-130.50	353.15	7.31	-123.19
COC1=CC=C(OCCS(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=C1	REAL300000326453	1	42	-2.0	-120.55	363.58	5.58	-114.97
CC1=CC=C(F)C([N-]S(=O)(=O)CCOC(C)C)=C1C(=O)[O-]	REAL300000326456	1	37	-2.0	-119.96	319.98	4.48	-115.48
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C(=O)[O-]	REAL300000326459	0	34	-2.0	-105.63	332.39	6.92	-98.71
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C(=O)[O-]	REAL300000326460	0	34	-2.0	-110.70	326.06	6.50	-104.20
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=C1C(=O)[O-]	REAL300000326462	1	38	-2.0	-134.81	352.92	7.24	-127.57
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C(=O)[O-]	REAL300000326465	0	31	-2.0	-106.69	313.83	5.58	-101.11
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C(=O)[O-]	REAL300000326465	1	30	-3.0	-192.21	301.68	5.63	-186.58
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=C1C(=O)[O-]	REAL300000326466	0	40	-2.0	-145.50	352.67	7.20	-138.30
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326467	0	34	-2.0	-117.36	328.12	6.50	-110.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])=C1F	REAL300000326468	0	37	-2.0	-103.80	344.64	7.08	-96.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1F	REAL300000326468	1	36	-3.0	-208.08	342.18	7.20	-200.88
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(=O)[O-]	REAL300000326471	0	34	-2.0	-109.30	325.97	6.49	-102.81
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(=O)[O-]	REAL300000326471	1	33	-3.0	-190.98	314.89	6.57	-184.41
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C(=O)[O-]	REAL300000326472	0	34	-2.0	-107.31	334.05	6.86	-100.45
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=CS1	REAL300000326475	1	34	-2.0	-126.05	328.22	5.62	-120.43
CC1=NC(C)=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])S1	REAL300000326477	0	33	-2.0	-124.64	306.18	4.51	-120.13
CC(=O)NC1=CC(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])=CC=C1[O-]	REAL300000326479	1	39	-2.0	-117.35	355.43	2.81	-114.54
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=C1C(=O)[O-]	REAL300000326482	0	34	-2.0	-125.64	336.60	7.88	-117.76
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326484	0	37	-2.0	-123.40	338.84	5.40	-118.00
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326486	0	36	-2.0	-110.83	349.91	7.11	-103.72
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=C1C(=O)[O-]	REAL300000326487	1	34	-2.0	-130.05	334.30	7.82	-122.23
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326488	1	41	-2.0	-141.57	370.89	6.38	-135.19
CC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C(F)C=C1F	REAL300000326491	1	34	-2.0	-124.29	313.14	6.69	-117.60
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000326492	1	37	-2.0	-137.40	332.81	9.01	-128.39
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1C(=O)[O-]	REAL300000326494	1	33	-2.0	-130.99	319.95	5.42	-125.57
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C(=O)[O-]	REAL300000326495	0	34	-3.0	-199.73	321.28	5.08	-194.65
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C(=O)[O-]	REAL300000326495	1	35	-2.0	-99.66	326.60	4.48	-95.18
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000326497	0	37	-2.0	-105.10	343.91	7.22	-97.88
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])O1	REAL300000326498	0	37	-2.0	-126.64	349.37	5.66	-120.98
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326499	1	33	-2.0	-120.07	322.58	6.68	-113.39
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326500	1	36	-2.0	-140.43	341.51	6.90	-133.53
COC1=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])SC=C1	REAL300000326502	0	32	-2.0	-140.87	308.28	4.97	-135.90
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2F)OC2=CC=C(F)C=C12	REAL300000326503	0	37	-2.0	-130.02	335.97	7.14	-122.88
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1C(=O)[O-]	REAL300000326504	0	34	-2.0	-137.18	317.72	6.34	-130.84
CC1=NC2=C(S(=O)(=O)[N-]C3=C(F)C=CC(C)=C3C(=O)[O-])C=CC=C2C=C1	REAL300000326505	1	39	-2.0	-148.82	342.46	7.18	-141.64
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2F)SC2=CC=CC(F)=C12	REAL300000326508	1	37	-2.0	-131.80	340.92	7.97	-123.83
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1F	REAL300000326509	1	36	-2.0	-129.85	341.98	7.33	-122.52
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326510	0	33	-2.0	-131.94	314.22	4.68	-127.26
CC1=NN2C=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C(C)=CC=C3F)C=NC2=C1Cl	REAL300000326511	1	36	-2.0	-120.72	348.95	5.91	-114.81
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=C1C(=O)[O-]	REAL300000326512	1	31	-2.0	-116.08	295.93	4.89	-111.19
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=C1C(=O)[O-]	REAL300000326513	0	31	-2.0	-135.46	308.14	4.78	-130.68
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1C(=O)[O-]	REAL300000326515	1	32	-2.0	-139.05	303.80	4.70	-134.35
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=C1C(=O)[O-]	REAL300000326516	1	32	-2.0	-115.96	303.17	3.77	-112.19
CC1=NC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])S1	REAL300000326517	0	30	-2.0	-123.46	289.48	3.76	-119.70
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C(=O)[O-]	REAL300000326519	0	37	-2.0	-125.13	325.99	6.91	-118.22
COCCOCCS(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326520	1	38	-2.0	-122.71	333.34	2.99	-119.72
CC1=CC(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000326522	0	37	-2.0	-107.17	346.55	7.09	-100.08
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326523	0	37	-2.0	-107.31	332.03	7.09	-100.22
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=C1F	REAL300000326525	1	34	-2.0	-127.17	313.14	6.71	-120.46
COC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000326526	1	37	-2.0	-119.62	343.50	6.68	-112.94
CC1=CC(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000326527	0	40	-2.0	-110.51	354.55	7.51	-103.00
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326529	0	36	-2.0	-108.40	348.07	7.46	-100.94
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1C(=O)[O-]	REAL300000326530	0	34	-2.0	-125.49	326.29	7.44	-118.05
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C(=O)[O-]	REAL300000326532	0	34	-2.0	-99.53	332.07	6.54	-92.99
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C(=O)[O-]	REAL300000326532	1	33	-3.0	-197.13	328.18	6.63	-190.50
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1C(=O)[O-]	REAL300000326534	0	30	-2.0	-127.87	306.93	5.38	-122.49
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=C1C(=O)[O-]	REAL300000326535	0	37	-2.0	-144.11	333.57	6.33	-137.78
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=N1	REAL300000326536	1	36	-2.0	-122.57	338.70	4.78	-117.79
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1C(=O)[O-]	REAL300000326537	1	30	-2.0	-113.34	306.39	5.13	-108.21
CC1=CC=C(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000326538	0	40	-2.0	-117.78	344.53	7.44	-110.34
CC1=CC(F)=C(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000326539	0	37	-2.0	-102.49	340.95	7.01	-95.48
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000326539	1	36	-3.0	-204.25	335.05	7.19	-197.06
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326540	0	37	-2.0	-136.94	345.70	7.14	-129.80
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326540	1	36	-3.0	-223.47	341.46	7.19	-216.28
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1C(=O)[O-]	REAL300000326541	0	31	-2.0	-113.54	308.20	6.41	-107.13
COCCN1C=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=N1	REAL300000326543	1	38	-2.0	-126.74	347.72	3.57	-123.17
CCN1C=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000326544	0	36	-2.0	-133.53	331.29	6.75	-126.78
CCC1=CC=C(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000326545	0	40	-2.0	-125.15	355.85	7.64	-117.51
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1C(=O)[O-]	REAL300000326546	1	42	-2.0	-124.69	358.12	4.49	-120.20
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326549	0	37	-2.0	-100.65	336.71	6.24	-94.41
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=C1C(=O)[O-]	REAL300000326550	1	40	-2.0	-128.96	353.94	7.59	-121.37
CCCN1C=NC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326551	0	37	-2.0	-143.98	335.45	6.70	-137.28
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1C(=O)[O-]	REAL300000326552	1	39	-2.0	-127.09	346.00	3.71	-123.38
CC1=CC=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1F	REAL300000326554	1	34	-2.0	-135.38	306.76	6.64	-128.74
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1C(=O)[O-]	REAL300000326556	0	38	-2.0	-143.31	326.91	5.98	-137.33
COC1=CC=C(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000326557	0	41	-2.0	-108.03	372.20	6.57	-101.46
COC1=CC=C([O-])C(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326559	1	36	-2.0	-128.91	325.65	4.18	-124.73
CC1=CC=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1Cl	REAL300000326560	1	34	-2.0	-129.23	312.81	7.08	-122.15
CC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C(C)O1	REAL300000326562	1	34	-2.0	-129.57	310.91	5.52	-124.05
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=C1C(=O)[O-]	REAL300000326563	1	37	-2.0	-133.67	327.21	3.60	-130.07
CCC1=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000326567	1	40	-2.0	-115.96	353.75	6.23	-109.73
CC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])O1	REAL300000326569	0	31	-2.0	-132.82	292.56	4.76	-128.06
CC1=C(C)SC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326570	1	34	-2.0	-129.17	313.93	6.33	-122.84
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=C1C(=O)[O-]	REAL300000326572	1	39	-2.0	-151.70	341.59	7.72	-143.98
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1C(=O)[O-]	REAL300000326574	1	33	-2.0	-116.36	320.69	6.63	-109.73
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C(C)O1	REAL300000326576	1	37	-2.0	-118.98	338.79	5.50	-113.48
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000326577	1	30	-2.0	-122.58	299.73	4.64	-117.94
CCN1C=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])N=C1C	REAL300000326578	0	37	-2.0	-143.26	333.51	5.75	-137.51
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326579	1	34	-2.0	-133.98	322.50	7.17	-126.81
CCN1C=C(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000326580	0	38	-2.0	-124.49	349.64	6.66	-117.83
COC(=O)C1=COC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326581	0	34	-2.0	-130.72	327.85	4.69	-126.03
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326582	1	43	-2.0	-133.10	364.11	6.52	-126.58
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1C(=O)[O-]	REAL300000326585	0	31	-2.0	-131.91	297.00	6.74	-125.17
CC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C(Cl)=N1	REAL300000326586	1	33	-2.0	-126.00	310.85	5.25	-120.75
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326587	1	36	-2.0	-129.56	337.01	6.13	-123.43
CCC1=NC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])S1	REAL300000326589	0	33	-2.0	-123.32	310.96	4.51	-118.81
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(F)C=CC(C)=C3C(=O)[O-])C=C12	REAL300000326590	1	38	-2.0	-120.18	349.20	3.66	-116.52
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2F)S1	REAL300000326591	0	33	-2.0	-121.14	319.08	6.28	-114.86
COC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=CN=C1Cl	REAL300000326592	1	34	-2.0	-120.84	328.81	3.90	-116.94
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1C(=O)[O-]	REAL300000326594	1	33	-2.0	-119.76	322.68	5.18	-114.58
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1F	REAL300000326596	1	46	-2.0	-131.44	387.24	7.44	-124.00
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1C(=O)[O-]	REAL300000326599	1	34	-2.0	-144.09	315.89	6.27	-137.82
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326600	1	36	-2.0	-128.36	337.93	4.80	-123.56
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1C(=O)[O-]	REAL300000326601	0	28	-2.0	-126.33	292.34	4.67	-121.66
CC1=NC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300000326602	0	40	-2.0	-148.91	363.89	4.92	-143.99
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1C(=O)[O-]	REAL300000326606	1	31	-2.0	-117.84	316.13	7.05	-110.79
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326607	0	31	-2.0	-120.48	309.92	6.17	-114.31
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C(OC)=C1	REAL300000326608	1	41	-2.0	-133.98	370.95	6.39	-127.59
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1C(=O)[O-]	REAL300000326610	1	34	-2.0	-127.67	332.20	7.00	-120.67
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1C(=O)[O-]	REAL300000326611	1	34	-2.0	-126.22	325.89	4.85	-121.37
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000326614	1	39	-2.0	-122.61	350.38	7.22	-115.39
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C(C)=CS1	REAL300000326615	1	37	-2.0	-142.73	342.71	7.10	-135.63
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=NN2C)=C1C(=O)[O-]	REAL300000326617	0	30	-2.0	-113.03	275.41	2.34	-110.69
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326619	1	30	-2.0	-115.78	302.12	5.71	-110.07
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1C(=O)[O-]	REAL300000326622	1	35	-2.0	-131.06	308.93	5.37	-125.69
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=C1C(=O)[O-]	REAL300000326623	1	32	-2.0	-124.56	319.86	7.06	-117.50
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1C(=O)[O-]	REAL300000326624	1	34	-2.0	-126.52	331.91	5.02	-121.50
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1C(=O)[O-]	REAL300000326627	1	35	-2.0	-143.19	319.33	6.00	-137.19
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1F	REAL300000326628	1	44	-2.0	-131.34	379.07	7.45	-123.89
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)=C1C(=O)[O-]	REAL300000326629	1	39	-2.0	-146.76	338.84	7.12	-139.64
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1C(=O)[O-]	REAL300000326631	1	32	-2.0	-135.04	305.74	4.26	-130.78
COC1=CN=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326632	1	34	-2.0	-129.34	312.56	3.41	-125.93
COCCOCCOCCS(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326634	1	45	-2.0	-124.66	388.82	3.32	-121.34
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326636	1	37	-2.0	-120.93	327.04	7.03	-113.90
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=C1C(=O)[O-]	REAL300000326638	1	37	-2.0	-139.67	349.16	7.50	-132.17
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])S1	REAL300000326639	0	34	-2.0	-131.00	325.61	3.43	-127.57
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)=C1C(=O)[O-]	REAL300000326643	1	36	-2.0	-136.06	344.73	1.56	-134.50
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1C(=O)[O-]	REAL300000326646	1	31	-2.0	-124.82	317.82	7.01	-117.81
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2F)C(N)=NO1	REAL300000326648	0	32	-2.0	-121.25	295.49	3.32	-117.93
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326649	1	35	-2.0	-135.18	332.95	6.25	-128.93
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1C(=O)[O-]	REAL300000326656	1	36	-2.0	-129.28	322.15	6.30	-122.98
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000326657	1	37	-2.0	-132.18	348.22	6.67	-125.51
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326659	1	39	-2.0	-140.97	364.10	7.79	-133.18
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1C(=O)[O-]	REAL300000326661	1	30	-2.0	-111.13	298.70	4.61	-106.52
COC(C)CS(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326662	1	34	-2.0	-123.82	296.97	3.73	-120.09
COC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000326663	1	35	-2.0	-135.74	322.95	5.30	-130.44
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1C(=O)[O-]	REAL300000326665	1	37	-2.0	-127.66	326.68	6.45	-121.21
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2F)N(C)N=C1	REAL300000326669	1	34	-2.0	-125.01	304.86	4.41	-120.60
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326670	1	40	-2.0	-137.20	370.08	7.58	-129.62
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C#N)O2)=C1C(=O)[O-]	REAL300000326671	0	29	-2.0	-129.40	298.99	2.88	-126.52
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326673	1	42	-2.0	-143.65	371.28	5.46	-138.19
CC1=CC(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000326674	0	37	-2.0	-108.72	337.96	6.99	-101.73
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1C(=O)[O-]	REAL300000326676	1	31	-2.0	-132.14	310.19	6.52	-125.62
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326677	1	40	-2.0	-134.87	365.48	8.71	-126.16
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)=C1C(=O)[O-]	REAL300000326678	1	40	-2.0	-134.03	361.31	8.42	-125.61
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CSC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000326679	1	34	-2.0	-130.94	317.47	7.30	-123.64
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=C1C(=O)[O-]	REAL300000326682	1	42	-2.0	-143.37	358.82	7.15	-136.22
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1C(=O)[O-]	REAL300000326683	1	34	-2.0	-132.64	307.55	4.58	-128.06
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1C(=O)[O-]	REAL300000326686	0	31	-2.0	-132.60	310.30	6.82	-125.78
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1C(=O)[O-]	REAL300000326688	0	28	-2.0	-123.37	288.93	5.38	-117.99
CC1=CSC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326689	0	31	-2.0	-126.48	294.51	5.61	-120.87
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CNN=C2Cl)=C1C(=O)[O-]	REAL300000326691	0	28	-2.0	-120.77	279.23	2.75	-118.02
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=C1C(=O)[O-]	REAL300000326692	1	36	-2.0	-136.21	335.46	7.01	-129.20
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1C(=O)[O-]	REAL300000326693	0	30	-2.0	-121.79	287.85	4.05	-117.74
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=C1C(=O)[O-]	REAL300000326694	1	40	-2.0	-127.37	352.51	5.00	-122.37
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1C(=O)[O-]	REAL300000326698	0	34	-2.0	-129.98	324.14	6.41	-123.57
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1C(=O)[O-]	REAL300000326699	0	34	-2.0	-131.37	332.24	8.00	-123.37
CC1=NSC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326700	0	30	-2.0	-119.48	289.46	4.22	-115.26
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1C(=O)[O-]	REAL300000326702	0	35	-2.0	-119.63	335.20	5.89	-113.74
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000326703	1	37	-2.0	-120.34	334.38	7.21	-113.13
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=CS2)=C1C(=O)[O-]	REAL300000326705	0	28	-2.0	-125.45	279.23	4.98	-120.47
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1C(=O)[O-]	REAL300000326707	1	37	-2.0	-140.92	341.77	4.36	-136.56
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000326708	0	34	-2.0	-125.89	319.61	4.78	-121.11
CC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300000326711	1	36	-2.0	-124.33	340.32	7.31	-117.02
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326712	0	37	-2.0	-102.44	336.15	7.14	-95.30
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1C(=O)[O-]	REAL300000326713	1	32	-2.0	-131.00	320.85	5.25	-125.75
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000326714	0	35	-3.0	-226.52	340.16	8.36	-218.16
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000326714	1	36	-2.0	-120.28	341.89	7.66	-112.62
COCC1(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])CC1	REAL300000326715	1	35	-2.0	-120.68	293.05	5.36	-115.32
CC1=CC=C(F)C([N-]S(=O)(=O)N=S(C)(C)=O)=C1C(=O)[O-]	REAL300000326716	1	31	-2.0	-153.79	286.30	1.87	-151.92
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C(F)C=C1C	REAL300000326717	1	40	-2.0	-127.38	357.21	7.19	-120.19
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1C(=O)[O-]	REAL300000326718	0	31	-2.0	-117.24	313.52	6.14	-111.10
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1C(=O)[O-]	REAL300000326719	0	36	-2.0	-132.62	317.96	2.86	-129.76
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])S1	REAL300000326720	1	34	-2.0	-129.98	313.57	6.37	-123.61
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=CN=C1C	REAL300000326721	1	39	-2.0	-123.87	354.23	5.29	-118.58
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2F)C=NN1C	REAL300000326727	1	34	-2.0	-122.92	301.61	4.16	-118.76
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1F	REAL300000326730	1	34	-2.0	-124.82	304.33	4.30	-120.52
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000326732	0	31	-2.0	-121.82	296.59	3.46	-118.36
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000326733	0	37	-2.0	-127.96	334.26	5.89	-122.07
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1C(=O)[O-]	REAL300000326734	1	39	-2.0	-121.27	359.11	4.50	-116.77
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C(=O)[O-]	REAL300000326737	0	34	-2.0	-136.02	324.13	6.45	-129.57
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C(=O)[O-]	REAL300000326737	1	33	-3.0	-217.19	313.03	6.52	-210.67
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1C(=O)[O-]	REAL300000326738	0	28	-2.0	-135.57	287.30	3.96	-131.61
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1C(=O)[O-]	REAL300000326739	1	33	-2.0	-145.17	319.16	5.36	-139.81
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1C(=O)[O-]	REAL300000326741	1	37	-2.0	-139.75	331.46	8.25	-131.50
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1C(=O)[O-]	REAL300000326742	1	34	-2.0	-137.84	328.13	5.02	-132.82
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1C(=O)[O-]	REAL300000326744	1	35	-2.0	-128.64	332.38	6.06	-122.58
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1C(=O)[O-]	REAL300000326745	1	36	-2.0	-145.25	324.27	5.77	-139.48
CCC(CS(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-])OC	REAL300000326748	1	37	-2.0	-123.22	317.82	4.75	-118.47
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326749	1	44	-2.0	-125.65	369.67	7.38	-118.27
COC(CC(C)C)CS(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326750	1	43	-2.0	-125.39	354.16	5.91	-119.48
CC1=CC=C(F)C([N-]S(=O)(=O)CCOCC2CC2)=C1C(=O)[O-]	REAL300000326751	1	38	-2.0	-124.78	338.39	5.32	-119.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000326752	0	34	-2.0	-135.79	310.86	6.89	-128.90
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1C(=O)[O-]	REAL300000326753	1	30	-2.0	-117.33	306.00	5.12	-112.21
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)=C1C(=O)[O-]	REAL300000326754	0	31	-2.0	-118.24	304.53	4.08	-114.16
CC1=CC=C(F)C([N-]S(=O)(=O)N=S(C)(=O)C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000326756	1	38	-2.0	-154.06	343.12	4.65	-149.41
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326757	0	37	-2.0	-103.86	346.91	7.13	-96.73
COC(CS(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-])C1CC1	REAL300000326758	1	38	-2.0	-124.50	322.21	5.34	-119.16
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326759	1	35	-2.0	-135.12	322.62	5.79	-129.33
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326762	1	47	-2.0	-143.07	392.38	8.06	-135.01
COC(CS(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-])C1CCOCC1	REAL300000326763	1	45	-2.0	-127.76	363.50	4.64	-123.12
CC1=NOC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1F	REAL300000326765	0	30	-2.0	-120.87	284.91	3.90	-116.97
CC1=CC=C(F)C(NS(=O)(=O)C2=CC([O-])=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000326766	1	35	-2.0	-103.76	339.43	4.79	-98.97
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326769	1	40	-2.0	-139.35	368.50	7.29	-132.06
CC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000326770	0	33	-2.0	-134.60	315.53	7.12	-127.48
CC1=CC=C(F)C([N-]S(=O)(=O)N=S(C)(=O)N(C)C)=C1C(=O)[O-]	REAL300000326771	1	36	-2.0	-145.53	322.47	1.88	-143.65
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CN=C2F)=C1C(=O)[O-]	REAL300000326773	0	30	-2.0	-131.15	281.45	4.11	-127.04
CC1=CC=C(F)C([N-]S(=O)(=O)CCOCC2CCC2)=C1C(=O)[O-]	REAL300000326776	1	41	-2.0	-120.07	347.97	5.84	-114.23
COC(CS(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-])C(C)C	REAL300000326777	1	40	-2.0	-125.02	329.94	4.94	-120.08
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1C(=O)[O-]	REAL300000326779	1	40	-2.0	-130.72	341.95	6.27	-124.45
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1C(=O)[O-]	REAL300000326781	1	39	-2.0	-138.92	333.17	7.13	-131.79
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1F	REAL300000326782	1	41	-2.0	-132.88	361.39	4.94	-127.94
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000326783	1	40	-2.0	-131.41	370.08	7.60	-123.81
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)=C1C(=O)[O-]	REAL300000326787	0	34	-2.0	-130.72	309.35	2.63	-128.09
CC1=CC=C(F)C([N-]S(=O)(=O)CC2(OC(C)C)CCOC2)=C1C(=O)[O-]	REAL300000326788	0	45	-2.0	-130.61	364.61	4.90	-125.71
CCOC(CS(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-])C1CC1	REAL300000326790	1	41	-2.0	-125.71	344.08	6.31	-119.40
COC(CS(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-])C1CCCC1	REAL300000326792	1	44	-2.0	-123.13	354.41	6.27	-116.86
COC(CS(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-])C1CCCCC1	REAL300000326793	1	47	-2.0	-124.01	371.01	6.81	-117.20
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=C1F	REAL300000326794	0	36	-2.0	-131.57	326.24	8.00	-123.57
CCC1=NC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=CN1CC1CC1	REAL300000326795	0	44	-2.0	-139.57	379.67	7.90	-131.67
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])O1	REAL300000326796	0	37	-2.0	-127.65	345.40	5.31	-122.34
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1C(=O)[O-]	REAL300000326798	0	34	-2.0	-124.89	320.69	5.43	-119.46
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=C1C(=O)[O-]	REAL300000326800	1	34	-2.0	-112.67	322.56	4.57	-108.10
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1C(=O)[O-]	REAL300000326801	0	30	-2.0	-122.94	298.30	4.53	-118.41
CC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C(F)=C1F	REAL300000326803	1	34	-2.0	-132.20	313.03	6.71	-125.49
CC1=CC=C(F)C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000326805	0	33	-2.0	-140.19	308.04	4.90	-135.29
CCCCN1C=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C(C)=N1	REAL300000326806	1	43	-2.0	-124.70	368.86	6.70	-118.00
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326807	1	44	-2.0	-124.91	378.81	8.08	-116.83
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C(=O)[O-]	REAL300000326808	0	32	-3.0	-209.84	312.63	4.64	-205.20
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C(=O)[O-]	REAL300000326808	1	33	-2.0	-105.86	315.50	4.75	-101.11
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326809	1	35	-2.0	-121.47	309.45	5.90	-115.57
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=C1C(=O)[O-]	REAL300000326813	0	34	-2.0	-119.62	314.09	4.57	-115.05
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1C(=O)[O-]	REAL300000326814	1	33	-2.0	-125.53	304.22	4.97	-120.56
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CNC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000326815	1	35	-2.0	-142.58	321.70	5.91	-136.67
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=C1C(=O)[O-]	REAL300000326816	1	41	-2.0	-130.78	348.94	6.06	-124.72
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=C1C(=O)[O-]	REAL300000326817	1	43	-2.0	-121.33	346.20	6.43	-114.90
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1C(=O)[O-]	REAL300000326818	1	41	-2.0	-129.65	355.39	6.31	-123.34
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C)N=C2Br)=C1C(=O)[O-]	REAL300000326819	0	31	-2.0	-123.21	306.14	4.15	-119.06
CC1=CC=C(F)C([N-]S(=O)(=O)C2(COCC3=CC=CC=C3)CC2)=C1C(=O)[O-]	REAL300000326820	1	45	-2.0	-137.95	394.84	8.41	-129.54
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1C(=O)[O-]	REAL300000326821	0	32	-2.0	-120.98	302.56	4.95	-116.03
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326823	1	37	-2.0	-121.23	319.63	4.97	-116.26
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C1C(=O)[O-]	REAL300000326825	1	31	-2.0	-118.47	286.15	3.29	-115.18
COC1=NSC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326831	0	31	-2.0	-116.27	300.20	1.73	-114.54
CC1=CC=C(F)C([N-]S(=O)(=O)CC2CCCC(C)(C)O2)=C1C(=O)[O-]	REAL300000326832	1	44	-2.0	-128.93	353.01	6.18	-122.75
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NS2)=C1C(=O)[O-]	REAL300000326833	0	27	-2.0	-118.67	267.71	3.63	-115.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326835	0	38	-2.0	-108.50	348.65	6.29	-102.21
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326835	1	37	-3.0	-199.55	344.63	6.30	-193.25
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2F)C=C(C(N)=O)O1	REAL300000326836	1	35	-2.0	-122.43	320.45	1.55	-120.88
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1C(=O)[O-]	REAL300000326838	1	31	-2.0	-126.46	308.19	5.86	-120.60
CC1=CC=C(F)C(NS(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326839	0	31	-2.0	-101.87	319.50	5.35	-96.52
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326839	1	30	-3.0	-187.98	309.56	5.48	-182.50
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326841	1	38	-2.0	-133.52	349.37	6.16	-127.36
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C1C(=O)[O-]	REAL300000326842	1	32	-2.0	-130.08	306.72	6.36	-123.72
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326843	0	34	-2.0	-117.45	335.51	5.23	-112.22
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1C(=O)[O-]	REAL300000326844	1	38	-2.0	-130.14	337.86	5.64	-124.50
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1C(=O)[O-]	REAL300000326845	1	38	-2.0	-128.09	335.25	5.83	-122.26
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1C(=O)[O-]	REAL300000326846	1	41	-2.0	-123.40	350.36	6.55	-116.85
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=C1C(=O)[O-]	REAL300000326847	0	42	-2.0	-138.30	363.01	3.97	-134.33
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1C(=O)[O-]	REAL300000326848	0	37	-2.0	-128.25	347.79	6.84	-121.41
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1C(=O)[O-]	REAL300000326850	0	28	-2.0	-130.94	292.06	4.55	-126.39
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1C(=O)[O-]	REAL300000326852	1	38	-2.0	-136.41	332.34	5.97	-130.44
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=C1F	REAL300000326853	1	35	-2.0	-124.31	322.13	5.37	-118.94
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)=C1C(=O)[O-]	REAL300000326855	1	41	-2.0	-138.75	362.43	7.34	-131.41
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=C1C(=O)[O-]	REAL300000326857	1	39	-2.0	-146.43	345.36	6.54	-139.89
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=C1C(=O)[O-]	REAL300000326858	0	39	-2.0	-125.34	349.62	5.60	-119.74
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326860	0	35	-2.0	-131.39	317.39	6.58	-124.81
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CSC=C2Cl)=C1C(=O)[O-]	REAL300000326861	1	28	-2.0	-128.55	293.38	5.39	-123.16
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Br)=NN2C)=C1C(=O)[O-]	REAL300000326862	1	31	-2.0	-114.83	302.90	4.07	-110.76
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000326863	1	33	-2.0	-121.13	322.12	5.13	-116.00
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1F	REAL300000326864	0	36	-2.0	-148.96	329.71	5.54	-143.42
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1C(=O)[O-]	REAL300000326866	0	34	-2.0	-131.64	319.80	7.38	-124.26
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1C(=O)[O-]	REAL300000326867	0	34	-2.0	-142.86	325.86	5.64	-137.22
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=C1C(=O)[O-]	REAL300000326868	1	38	-2.0	-122.01	332.89	5.67	-116.34
COC1=CC=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1OC	REAL300000326870	1	39	-2.0	-127.50	332.45	5.68	-121.82
CC1=CC=C(F)C([N-]S(=O)(=O)C2=COC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000326872	1	34	-2.0	-131.76	310.72	6.21	-125.55
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1OC	REAL300000326873	0	39	-2.0	-137.76	340.39	6.24	-131.52
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)=C1C(=O)[O-]	REAL300000326874	1	44	-2.0	-130.77	369.78	6.84	-123.93
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=C1C(=O)[O-]	REAL300000326875	1	38	-2.0	-127.53	336.22	5.88	-121.65
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1C(=O)[O-]	REAL300000326877	0	34	-2.0	-136.91	310.38	5.13	-131.78
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=C1C(=O)[O-]	REAL300000326878	1	36	-2.0	-147.98	325.51	4.35	-143.63
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=C1C(=O)[O-]	REAL300000326879	1	38	-2.0	-127.92	321.89	7.87	-120.05
COC1=NSC=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326881	0	31	-2.0	-124.18	298.24	1.81	-122.37
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2F)N=CN1	REAL300000326882	0	31	-2.0	-144.51	288.35	3.98	-140.53
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=C1C(=O)[O-]	REAL300000326885	1	41	-2.0	-129.40	352.47	6.35	-123.05
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1C(=O)[O-]	REAL300000326887	1	28	-2.0	-128.06	293.80	5.49	-122.57
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1C(=O)[O-]	REAL300000326888	1	41	-2.0	-130.82	361.94	6.60	-124.22
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1C(=O)[O-]	REAL300000326889	0	35	-2.0	-137.55	324.71	7.15	-130.40
COC1=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000326891	0	40	-2.0	-161.01	353.38	7.14	-153.87
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326893	1	37	-2.0	-127.28	345.58	4.22	-123.06
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=C1C(=O)[O-]	REAL300000326894	1	38	-2.0	-126.42	326.67	5.48	-120.94
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000326895	1	35	-2.0	-116.87	344.40	7.28	-109.59
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=C1C(=O)[O-]	REAL300000326897	1	40	-2.0	-118.38	327.81	5.85	-112.53
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=C1C(=O)[O-]	REAL300000326898	1	40	-2.0	-130.52	352.46	5.67	-124.85
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1C(=O)[O-]	REAL300000326899	1	38	-2.0	-130.93	336.55	5.04	-125.89
CC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=CN=C1C(F)(F)F	REAL300000326900	1	36	-2.0	-116.35	331.89	5.75	-110.60
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1C(=O)[O-]	REAL300000326905	1	31	-2.0	-123.64	302.55	6.29	-117.35
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000326906	1	31	-2.0	-117.37	312.68	6.05	-111.32
CC1=NN(C)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326907	1	34	-2.0	-120.63	303.13	4.17	-116.46
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)=C1C(=O)[O-]	REAL300000326914	1	37	-2.0	-122.47	343.36	6.97	-115.50
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=C1C(=O)[O-]	REAL300000326916	1	32	-2.0	-124.50	313.55	6.79	-117.71
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000326917	1	31	-2.0	-124.28	299.93	6.15	-118.13
COC1=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=CS1	REAL300000326919	1	32	-2.0	-136.08	310.23	4.39	-131.69
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000326920	1	34	-2.0	-122.13	311.34	7.35	-114.78
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326921	0	37	-2.0	-122.26	347.13	6.29	-115.97
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1C(=O)[O-]	REAL300000326922	1	38	-2.0	-138.12	342.68	8.11	-130.01
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1C(=O)[O-]	REAL300000326923	1	41	-2.0	-124.16	345.77	6.56	-117.60
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326924	1	40	-2.0	-122.65	340.90	5.84	-116.81
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)=C1C(=O)[O-]	REAL300000326926	0	34	-2.0	-140.80	341.90	2.45	-138.35
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=C1C(=O)[O-]	REAL300000326927	1	36	-2.0	-139.11	324.58	4.31	-134.80
CCC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])O1	REAL300000326928	0	34	-2.0	-132.95	314.04	5.54	-127.41
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1C(=O)[O-]	REAL300000326929	0	31	-2.0	-124.13	311.82	5.16	-118.97
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326930	1	35	-2.0	-120.98	321.88	5.86	-115.12
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)=C1C(=O)[O-]	REAL300000326931	1	45	-2.0	-132.51	386.29	5.09	-127.42
COC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])S1	REAL300000326935	0	32	-2.0	-123.93	304.73	4.39	-119.54
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)=C1C(=O)[O-]	REAL300000326936	1	42	-2.0	-152.82	359.37	8.26	-144.56
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1C(=O)[O-]	REAL300000326938	1	34	-2.0	-125.52	320.63	4.66	-120.86
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)=C1C(=O)[O-]	REAL300000326940	0	34	-2.0	-125.94	339.63	5.42	-120.52
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)=C1C(=O)[O-]	REAL300000326941	1	41	-2.0	-124.94	360.62	7.14	-117.80
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1C(=O)[O-]	REAL300000326942	1	44	-2.0	-129.59	374.36	6.91	-122.68
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C3C=CC=CN32)=C1C(=O)[O-]	REAL300000326945	1	34	-2.0	-132.32	306.44	6.34	-125.98
CCN1N=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=N1	REAL300000326947	0	33	-2.0	-125.06	301.66	2.80	-122.26
CCN1N=CC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1Cl	REAL300000326948	0	34	-2.0	-119.97	322.61	4.86	-115.11
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=C1C(=O)[O-]	REAL300000326949	0	33	-2.0	-121.34	321.96	5.21	-116.13
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1C(=O)[O-]	REAL300000326950	0	28	-2.0	-125.73	287.71	4.56	-121.17
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1C(=O)[O-]	REAL300000326954	1	31	-2.0	-121.76	308.47	6.55	-115.21
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2F)O1	REAL300000326955	0	37	-2.0	-141.70	344.57	2.23	-139.47
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000326956	1	41	-2.0	-130.55	356.37	7.25	-123.30
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1C(=O)[O-]	REAL300000326958	1	35	-2.0	-133.63	331.78	7.26	-126.37
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Br)C=NS2)=C1C(=O)[O-]	REAL300000326961	0	27	-2.0	-114.70	284.88	4.36	-110.34
CC1=COC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326962	0	31	-2.0	-131.88	292.55	4.61	-127.27
COC1=CSC(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1OC	REAL300000326964	0	36	-2.0	-125.78	333.95	3.95	-121.83
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1C(=O)[O-]	REAL300000326965	0	32	-2.0	-101.66	326.59	4.84	-96.82
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1C(=O)[O-]	REAL300000326966	1	30	-2.0	-110.50	298.59	4.57	-105.93
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=C1C(=O)[O-]	REAL300000326968	1	37	-2.0	-127.38	325.37	5.89	-121.49
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000326970	1	34	-2.0	-127.79	311.63	7.34	-120.45
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1C(=O)[O-]	REAL300000326971	0	28	-2.0	-114.99	306.02	6.04	-108.95
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=C1C(=O)[O-]	REAL300000326972	0	31	-2.0	-119.32	300.82	4.00	-115.32
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C1C(=O)[O-]	REAL300000326975	0	29	-2.0	-126.46	282.83	4.41	-122.05
CCN1C=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C(C2CC2)=N1	REAL300000326978	1	41	-2.0	-128.02	357.75	6.74	-121.28
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)=C1C(=O)[O-]	REAL300000326979	1	35	-2.0	-131.34	318.72	5.23	-126.11
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(C)NC(=O)NC2=O)=C1C(=O)[O-]	REAL300000326981	0	34	-2.0	-131.17	310.61	1.99	-129.18
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326982	1	44	-2.0	-125.98	367.72	7.14	-118.84
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1C(=O)[O-]	REAL300000326983	1	28	-2.0	-127.29	286.75	4.45	-122.84
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1C(=O)[O-]	REAL300000326984	0	28	-2.0	-120.43	289.75	5.46	-114.97
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000326985	1	45	-2.0	-141.32	392.79	6.23	-135.09
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1C(=O)[O-]	REAL300000326986	1	37	-2.0	-131.74	339.80	8.77	-122.97
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=C1C(=O)[O-]	REAL300000326987	1	39	-2.0	-128.50	340.27	3.69	-124.81
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326993	1	37	-2.0	-132.71	328.34	3.77	-128.94
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(F)C=CC(C)=C1C(=O)[O-]	REAL300000326994	1	34	-2.0	-124.85	323.65	3.62	-121.23
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=C1C(=O)[O-]	REAL300000326996	1	40	-2.0	-130.46	355.36	6.06	-124.40
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1F	REAL300000326997	1	40	-2.0	-125.84	344.55	5.68	-120.16
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1C(=O)[O-]	REAL300000326998	0	30	-2.0	-127.79	315.30	3.94	-123.85
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C1C(=O)[O-]	REAL300000326999	0	29	-2.0	-126.41	283.89	4.35	-122.06
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C1C(=O)[O-]	REAL300000327000	0	29	-2.0	-123.03	293.00	5.27	-117.76
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NN2C(C)C)=C1C(=O)[O-]	REAL300000327001	1	37	-2.0	-121.85	322.65	5.20	-116.65
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=C1C	REAL300000327002	1	39	-2.0	-119.02	347.74	5.30	-113.72
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C(=O)[O-]	REAL300000327003	0	41	-2.0	-113.41	367.78	8.34	-105.07
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1C(=O)[O-]	REAL300000327005	1	38	-2.0	-120.42	333.16	6.06	-114.36
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000327006	1	38	-2.0	-134.43	339.92	7.16	-127.27
COC1=NOC(CS(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000327007	0	34	-2.0	-117.14	312.03	2.29	-114.85
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2F)C=NN1C(C)C	REAL300000327008	1	40	-2.0	-124.37	345.46	5.70	-118.67
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1C(=O)[O-]	REAL300000327010	1	33	-2.0	-124.86	315.33	4.96	-119.90
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=C1C(=O)[O-]	REAL300000327011	0	31	-2.0	-128.29	327.37	2.08	-126.21
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1C(=O)[O-]	REAL300000327014	1	35	-2.0	-130.34	331.41	6.40	-123.94
CC1=CC=C(F)C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C(=O)[O-]	REAL300000327015	0	41	-2.0	-116.17	365.73	8.33	-107.84
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1C(=O)[O-]	REAL300000327017	1	34	-2.0	-137.41	320.61	6.93	-130.48
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CSN=C2)=C1C(=O)[O-]	REAL300000327018	1	27	-2.0	-121.04	273.61	3.55	-117.49
CC1=CC=C(F)C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1C(=O)[O-]	REAL300000327019	0	35	-2.0	-141.39	328.86	5.21	-136.18
CC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000327021	1	34	-2.0	-125.64	328.00	7.54	-118.10
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000327022	0	38	-2.0	-128.72	348.89	6.99	-121.73
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2F)C2=NC=CC=C12	REAL300000327024	1	39	-2.0	-147.19	338.71	7.12	-140.07
CCC1=C(S(=O)(=O)NC2=C(F)C=CC(C)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000327025	0	37	-2.0	-102.03	335.80	5.97	-96.06
CCC1=C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000327025	1	36	-3.0	-190.29	327.33	6.36	-183.93
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000327026	1	44	-2.0	-144.47	377.33	7.93	-136.54
CC1=CC=C(F)C([N-]S(=O)(=O)C2=CN=CS2)=C1C(=O)[O-]	REAL300000327028	0	27	-2.0	-121.59	267.53	3.04	-118.55
CC1=CC=C(F)C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1C(=O)[O-]	REAL300000327029	1	38	-2.0	-131.71	333.68	5.28	-126.43
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC(C)=C2C(=O)[O-])=C1	REAL300000327030	1	34	-2.0	-139.48	314.87	6.67	-132.81
CC1=CC=CC(C)=C1OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000327031	0	45	-2.0	-103.11	394.71	9.33	-93.78
CC1=CC=CC(C)=C1OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000327032	0	45	-2.0	-116.42	394.73	9.32	-107.10
CC1=CC=CC(C)=C1OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000327033	0	44	-2.0	-114.43	390.94	7.44	-106.99
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000327034	0	42	-2.0	-112.23	376.47	5.17	-107.06
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000327035	0	42	-2.0	-102.19	371.92	5.16	-97.03
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000327036	0	42	-2.0	-115.06	371.94	5.14	-109.92
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000327037	0	46	-2.0	-119.98	400.08	4.94	-115.04
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000327038	0	46	-2.0	-101.10	403.39	6.44	-94.66
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000327039	0	45	-2.0	-116.39	387.96	5.68	-110.71
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000327040	0	42	-2.0	-109.77	385.01	5.72	-104.05
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000327041	0	42	-2.0	-110.80	384.44	5.53	-105.27
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000327042	0	48	-2.0	-116.94	405.04	6.47	-110.47
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000327043	0	42	-2.0	-111.96	377.42	5.20	-106.76
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000327044	0	48	-2.0	-100.27	415.51	6.72	-93.55
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000327045	0	39	-2.0	-109.30	365.12	4.16	-105.14
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000327046	0	45	-2.0	-114.98	387.37	5.92	-109.06
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000327047	0	46	-2.0	-99.75	403.01	5.44	-94.31
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000327048	0	43	-2.0	-113.43	378.59	4.49	-108.94
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000327049	0	46	-2.0	-115.49	395.72	3.98	-111.51
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000327050	0	42	-2.0	-105.40	381.07	4.83	-100.57
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000327051	0	48	-2.0	-116.25	403.39	6.46	-109.79
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000327052	0	39	-2.0	-110.62	363.59	4.17	-106.45
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000327053	0	46	-2.0	-120.90	399.22	5.21	-115.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCCOC	REAL300000327054	0	48	-2.0	-112.67	402.06	6.87	-105.80
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000327055	0	42	-2.0	-108.20	374.95	4.28	-103.92
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000327056	0	46	-2.0	-116.10	400.92	4.24	-111.86
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000327057	0	45	-2.0	-105.51	392.65	5.96	-99.55
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000327058	0	42	-2.0	-111.34	380.56	5.03	-106.31
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000327059	0	42	-2.0	-99.45	384.99	5.71	-93.74
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000327060	0	42	-2.0	-101.49	376.45	5.18	-96.31
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000327061	0	39	-2.0	-104.10	364.19	4.27	-99.83
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000327062	0	42	-2.0	-105.75	378.34	5.21	-100.54
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000327063	0	45	-2.0	-113.50	397.68	5.84	-107.66
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000327064	0	42	-2.0	-101.86	377.40	5.21	-96.65
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000327065	0	42	-2.0	-99.69	384.42	5.54	-94.15
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000327066	0	43	-2.0	-113.50	381.66	2.84	-110.66
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000327067	0	45	-2.0	-105.20	394.11	5.92	-99.28
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000327068	0	45	-2.0	-111.73	381.98	5.77	-105.96
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000327069	0	45	-2.0	-113.77	396.77	5.79	-107.98
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000327070	0	45	-2.0	-101.96	387.35	5.91	-96.05
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000327071	0	48	-2.0	-118.49	404.81	6.21	-112.28
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000327072	0	48	-2.0	-116.30	405.47	6.55	-109.75
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000327073	0	45	-2.0	-113.21	393.41	5.74	-107.47
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000327074	0	45	-2.0	-120.94	396.95	5.83	-115.11
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCCOC)C=C1C(=O)[O-]	REAL300000327075	0	48	-2.0	-117.14	405.90	6.33	-110.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCCOC)C=C1C(=O)[O-]	REAL300000327076	0	46	-2.0	-114.72	399.96	5.35	-109.37
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000327077	0	45	-2.0	-103.94	391.99	5.79	-98.15
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000327078	0	45	-2.0	-112.06	391.89	5.96	-106.10
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000327079	0	42	-2.0	-120.01	375.58	5.18	-114.83
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000327080	0	45	-2.0	-106.71	393.10	5.71	-101.00
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000327081	0	41	-2.0	-113.00	368.15	3.25	-109.75
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000327082	0	46	-2.0	-106.37	400.14	4.94	-101.43
COCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000327083	0	39	-2.0	-102.26	372.04	4.11	-98.15
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCCOC)C=C(C(=O)[O-])O1	REAL300000327084	0	45	-2.0	-107.65	394.05	5.13	-102.52
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000327085	0	37	-2.0	-115.24	348.88	2.20	-113.04
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300000327086	0	37	-2.0	-105.98	344.33	2.18	-103.80
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1O	REAL300000327087	0	37	-2.0	-118.35	344.35	2.17	-116.18
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(OC)=C1O	REAL300000327088	0	41	-2.0	-121.77	372.49	1.98	-119.79
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1O	REAL300000327089	0	41	-2.0	-104.93	375.80	3.47	-101.46
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000327090	0	40	-2.0	-121.03	364.42	2.82	-118.21
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1O	REAL300000327091	0	43	-2.0	-119.03	377.02	3.45	-115.58
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1O	REAL300000327092	0	37	-2.0	-113.41	349.83	2.23	-111.18
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1O	REAL300000327093	0	43	-2.0	-103.80	387.91	3.76	-100.04
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1O	REAL300000327094	0	34	-2.0	-112.61	337.54	1.20	-111.41
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1O	REAL300000327095	0	40	-2.0	-116.94	359.79	2.95	-113.99
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1O	REAL300000327096	0	41	-2.0	-103.80	375.42	2.46	-101.34
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1O	REAL300000327097	0	38	-2.0	-117.10	350.99	1.53	-115.57
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1O	REAL300000327098	0	41	-2.0	-117.33	368.14	0.94	-116.39
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1O	REAL300000327099	0	37	-2.0	-108.49	353.47	1.86	-106.63
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1O	REAL300000327100	0	43	-2.0	-118.42	375.42	3.44	-114.98
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1O	REAL300000327101	0	34	-2.0	-114.15	336.00	1.21	-112.94
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC)=C2O)C=C1C(=O)[O-]	REAL300000327102	0	41	-2.0	-123.55	371.63	2.24	-121.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(OC)=C1O	REAL300000327103	0	43	-2.0	-114.56	374.52	3.69	-110.87
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1O	REAL300000327104	0	37	-2.0	-110.92	347.36	1.32	-109.60
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1O	REAL300000327105	0	41	-2.0	-121.34	373.25	1.27	-120.07
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1O	REAL300000327106	0	40	-2.0	-108.12	365.06	2.97	-105.15
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1O	REAL300000327107	0	37	-2.0	-113.74	352.97	2.07	-111.67
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1O	REAL300000327108	0	37	-2.0	-105.70	348.86	2.21	-103.49
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1O	REAL300000327109	0	34	-2.0	-107.34	336.62	1.30	-106.04
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1O	REAL300000327110	0	37	-2.0	-108.74	350.75	2.24	-106.50
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1O	REAL300000327111	0	40	-2.0	-115.24	370.11	2.88	-112.36
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1O	REAL300000327112	0	37	-2.0	-105.42	349.83	2.24	-103.18
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1O	REAL300000327113	0	38	-2.0	-114.23	354.06	-0.11	-114.34
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1O	REAL300000327113	1	37	-3.0	-215.77	350.50	0.77	-215.00
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1O	REAL300000327114	0	40	-2.0	-107.82	366.51	2.96	-104.86
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1O	REAL300000327115	0	40	-2.0	-115.54	353.90	2.78	-112.76
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000327116	0	40	-2.0	-117.43	369.20	2.82	-114.61
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1O	REAL300000327117	0	40	-2.0	-105.80	359.77	2.94	-102.86
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000327118	0	43	-2.0	-123.06	381.15	3.34	-119.72
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1O	REAL300000327119	0	43	-2.0	-120.04	377.74	3.50	-116.54
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1O	REAL300000327120	0	40	-2.0	-114.89	365.83	2.77	-112.12
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1O	REAL300000327121	0	40	-2.0	-124.43	369.36	2.86	-121.57
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC)=C2O)C=C1C(=O)[O-]	REAL300000327122	0	43	-2.0	-119.33	378.59	3.36	-115.97
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC)=C2O)C=C1C(=O)[O-]	REAL300000327123	0	41	-2.0	-118.43	372.38	2.39	-116.04
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1O	REAL300000327124	0	40	-2.0	-106.02	360.35	2.72	-103.30
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1O	REAL300000327125	0	40	-2.0	-114.48	364.30	2.98	-111.50
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1O	REAL300000327126	0	37	-2.0	-123.68	348.01	2.21	-121.47
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000327127	0	40	-2.0	-111.31	369.29	2.85	-108.46
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1O	REAL300000327128	0	36	-2.0	-115.83	340.58	0.31	-115.52
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(OC)=C1O	REAL300000327129	0	41	-2.0	-109.89	372.55	1.98	-107.91
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1O	REAL300000327130	0	34	-2.0	-105.45	344.48	1.15	-104.30
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC)=C2O)C=C(C(=O)[O-])O1	REAL300000327131	0	40	-2.0	-110.37	366.48	2.10	-108.27
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000327132	1	41	-2.0	-105.83	364.55	6.84	-98.99
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000327133	1	41	-2.0	-95.78	360.00	6.82	-88.96
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000327134	1	41	-2.0	-108.35	360.01	6.81	-101.54
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000327135	0	45	-2.0	-113.31	388.15	6.61	-106.70
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000327136	1	45	-2.0	-95.30	391.48	8.11	-87.19
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000327137	1	44	-2.0	-109.52	376.03	7.34	-102.18
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000327138	0	41	-2.0	-103.40	373.08	7.38	-96.02
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000327139	1	41	-2.0	-104.14	372.53	7.20	-96.94
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000327140	1	47	-2.0	-110.70	392.69	8.17	-102.53
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000327141	0	41	-2.0	-105.16	365.49	6.87	-98.29
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000327142	1	47	-2.0	-94.53	403.58	8.40	-86.13
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000327143	0	38	-2.0	-102.58	353.19	5.83	-96.75
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000327144	1	44	-2.0	-108.58	375.44	7.59	-100.99
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000327145	1	45	-2.0	-94.08	391.09	7.10	-86.98
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000327146	0	42	-2.0	-106.72	366.65	6.16	-100.56
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000327148	0	41	-2.0	-98.73	369.12	6.50	-92.23
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000327149	1	47	-2.0	-110.15	391.08	8.16	-101.99
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000327150	0	38	-2.0	-104.05	351.66	5.84	-98.21
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000327151	1	45	-2.0	-114.26	387.30	6.88	-107.38
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000327152	1	50	-2.0	-110.71	413.92	8.82	-101.89
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000327153	1	47	-2.0	-106.79	390.15	8.53	-98.26
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000327154	0	48	-2.0	-112.74	410.44	7.37	-105.37
CCCCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000327155	0	44	-2.0	-112.70	395.13	7.24	-105.46
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000327155	1	43	-3.0	-183.94	388.42	7.38	-176.56
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000327156	1	48	-2.0	-112.87	404.26	8.71	-104.16
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000327157	0	41	-2.0	-101.81	363.02	5.96	-95.85
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000327158	0	45	-2.0	-109.65	389.00	5.90	-103.75
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000327159	1	48	-2.0	-94.57	411.17	7.79	-86.78
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000327160	1	44	-2.0	-99.23	380.72	7.63	-91.60
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000327161	1	45	-2.0	-93.55	397.31	7.16	-86.39
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)=C1	REAL300000327162	1	48	-2.0	-114.95	409.14	7.79	-107.16
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000327163	0	41	-2.0	-105.06	368.61	6.70	-98.36
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000327164	0	41	-2.0	-93.37	373.06	7.37	-86.00
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000327165	1	41	-2.0	-95.31	364.54	6.85	-88.46
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000327166	0	38	-2.0	-97.50	352.28	5.94	-91.56
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000327167	1	41	-2.0	-99.17	366.42	6.87	-92.30
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000327168	0	44	-2.0	-106.58	385.77	7.52	-99.06
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000327169	0	41	-2.0	-95.30	365.48	6.88	-88.42
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000327170	1	41	-2.0	-93.36	372.51	7.21	-86.15
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000327171	1	44	-2.0	-100.91	389.45	8.01	-92.90
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000327172	1	41	-2.0	-97.32	370.83	6.90	-90.42
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000327173	0	43	-2.0	-93.31	388.21	7.47	-85.84
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000327174	0	42	-2.0	-107.23	369.73	4.51	-102.72
CCCCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000327174	1	42	-2.0	-106.16	368.82	5.39	-100.77
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000327175	1	44	-2.0	-98.95	382.18	7.60	-91.35
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000327176	1	44	-2.0	-105.03	370.08	7.45	-97.58
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000327177	1	44	-2.0	-107.20	384.84	7.46	-99.74
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000327178	1	44	-2.0	-95.83	375.42	7.58	-88.25
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000327179	1	47	-2.0	-112.96	396.81	7.98	-104.98
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000327180	0	43	-2.0	-106.52	386.56	7.91	-98.61
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000327181	0	41	-2.0	-96.94	371.77	6.94	-90.00
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000327182	1	47	-2.0	-109.43	393.40	8.22	-101.21
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000327183	0	44	-2.0	-107.43	385.33	7.51	-99.92
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000327184	0	44	-2.0	-105.22	391.77	7.95	-97.27
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000327185	0	44	-2.0	-113.90	385.05	7.50	-106.40
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000327186	1	47	-2.0	-110.23	393.95	8.00	-102.23
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000327187	1	48	-2.0	-109.40	410.48	6.94	-102.46
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000327188	1	44	-2.0	-98.06	386.27	7.99	-90.07
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000327189	1	44	-2.0	-105.97	391.23	7.77	-98.20
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000327190	0	45	-2.0	-108.08	388.15	7.02	-101.06
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000327191	1	44	-2.0	-102.91	393.75	7.88	-95.03
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000327192	1	44	-2.0	-95.94	376.02	7.36	-88.58
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000327193	1	44	-2.0	-106.21	379.55	7.65	-98.56
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000327194	0	43	-2.0	-116.31	383.74	8.67	-107.64
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000327195	0	41	-2.0	-113.15	363.67	6.85	-106.30
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000327196	1	44	-2.0	-101.10	384.95	7.49	-93.61
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000327197	1	47	-2.0	-116.72	401.05	8.93	-107.79
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000327198	0	40	-2.0	-104.73	357.00	4.86	-99.87
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000327199	0	45	-2.0	-100.00	388.21	6.62	-93.38
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000327200	0	38	-2.0	-95.82	360.16	5.79	-90.03
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000327201	1	48	-2.0	-102.05	406.14	8.70	-93.35
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000327202	1	48	-2.0	-106.68	405.45	8.70	-97.98
CCCCOC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000327203	0	44	-2.0	-101.49	382.14	6.81	-94.68
CCOC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000327204	0	45	-2.0	-98.31	388.73	5.14	-93.17
CCOC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000327205	0	45	-2.0	-111.96	385.83	4.97	-106.99
CCOC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000327206	0	42	-2.0	-106.30	379.03	3.99	-102.31
CCOC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000327207	0	46	-2.0	-110.28	392.49	4.33	-105.95
CCOC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000327208	0	42	-2.0	-105.97	380.80	4.16	-101.81
CCOC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000327209	0	45	-2.0	-104.36	391.75	4.28	-100.08
CCOC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000327210	0	42	-2.0	-101.03	378.10	4.10	-96.93
CCOC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000327211	0	44	-2.0	-112.45	384.94	3.28	-109.17
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=C1	REAL300000327214	1	34	-2.0	-101.83	323.35	7.68	-94.15
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=NC=N2)C(F)=C1	REAL300000327215	0	38	-2.0	-105.37	350.48	7.25	-98.12
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)C=C1	REAL300000327216	1	38	-2.0	-90.34	354.81	8.98	-81.36
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=C1	REAL300000327218	0	34	-2.0	-96.14	335.41	8.03	-88.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=CC=C1Cl	REAL300000327219	1	34	-2.0	-97.97	335.85	8.08	-89.89
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=C1	REAL300000327221	0	34	-2.0	-97.23	327.82	7.52	-89.71
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)C=C1	REAL300000327222	1	40	-2.0	-86.82	365.90	9.05	-77.77
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=C1	REAL300000327223	0	31	-2.0	-94.60	315.53	6.47	-88.13
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)C=C1C(=O)[O-]	REAL300000327226	1	35	-2.0	-100.43	330.00	7.04	-93.39
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=C1	REAL300000327228	0	34	-2.0	-90.28	331.46	7.14	-83.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=CS1	REAL300000327230	1	31	-2.0	-95.97	313.99	6.49	-89.48
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000327233	0	34	-2.0	-94.91	325.35	6.59	-88.32
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=C1	REAL300000327234	0	38	-2.0	-100.41	351.32	6.54	-93.87
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=NC=N2)C(F)=C1	REAL300000327235	1	37	-2.0	-92.48	343.05	8.28	-84.20
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000327236	1	34	-2.0	-98.19	330.94	7.36	-90.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)C(Cl)=C1	REAL300000327237	0	34	-2.0	-85.65	335.39	8.02	-77.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)C=C1F	REAL300000327238	1	34	-2.0	-90.66	327.87	7.72	-82.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)S1	REAL300000327239	0	31	-2.0	-89.86	314.61	6.58	-83.28
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=C1	REAL300000327240	1	34	-2.0	-90.62	328.74	7.52	-83.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=C1F	REAL300000327241	0	37	-2.0	-97.59	348.10	8.16	-89.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)C(F)=C1	REAL300000327242	0	34	-2.0	-86.98	327.80	7.53	-79.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)C=C1Cl	REAL300000327243	1	34	-2.0	-88.45	335.85	8.09	-80.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=CC(F)=C1F	REAL300000327244	1	34	-2.0	-92.10	334.17	7.78	-84.32
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=C1	REAL300000327245	0	35	-2.0	-100.65	332.06	5.17	-95.48
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3C=NC=N3)C(F)=C2)=C1	REAL300000327245	1	35	-2.0	-102.94	331.25	5.97	-96.97
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)C=C1	REAL300000327246	1	37	-2.0	-91.02	344.51	8.25	-82.77
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=C1	REAL300000327251	0	34	-2.0	-88.39	334.09	7.58	-80.81
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)C=C1C(=O)[O-]	REAL300000327253	0	37	-2.0	-99.42	347.66	8.16	-91.26
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=C1	REAL300000327254	0	37	-2.0	-103.54	347.35	8.15	-95.39
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)C=C1C(=O)[O-]	REAL300000327256	1	38	-2.0	-101.64	351.38	7.91	-93.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=C1F	REAL300000327259	0	34	-2.0	-103.38	326.00	7.49	-95.89
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)C=C1C(=O)[O-]	REAL300000327260	1	37	-2.0	-94.92	348.29	8.36	-86.56
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=C1	REAL300000327261	0	33	-2.0	-97.50	319.33	5.51	-91.99
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=NC=N2)C(F)=C1	REAL300000327262	0	38	-2.0	-91.62	350.54	7.25	-84.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)=C(Cl)O1	REAL300000327263	0	31	-2.0	-88.73	322.49	6.43	-82.30
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000327264	0	37	-2.0	-94.92	344.47	7.44	-87.48
CCCN1C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CC1=O	REAL300000327292	0	40	-2.0	-110.77	358.28	5.63	-105.14
CCCN1C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC1=O	REAL300000327315	0	38	-2.0	-103.72	337.93	3.65	-100.07
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CC1=O	REAL300000327323	1	37	-2.0	-91.00	345.82	5.59	-85.41
CCCN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC1=O	REAL300000327345	1	34	-2.0	-90.63	334.21	4.44	-86.19
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000327357	0	39	-2.0	-113.15	366.09	-0.57	-113.72
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000327358	0	32	-2.0	-128.93	314.14	0.87	-128.06
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C=C1	REAL300000327359	0	40	-2.0	-131.14	369.23	1.94	-129.20
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000327360	0	32	-2.0	-119.69	309.60	0.85	-118.84
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000327361	0	32	-2.0	-132.13	309.60	0.84	-131.29
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C=C1	REAL300000327362	0	36	-2.0	-138.56	337.76	0.65	-137.91
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000327363	0	36	-2.0	-119.39	341.08	2.14	-117.25
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000327364	0	35	-2.0	-136.09	325.63	1.38	-134.71
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000327365	0	32	-2.0	-127.92	322.69	1.40	-126.52
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000327366	0	32	-2.0	-127.59	322.11	1.24	-126.35
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=N1	REAL300000327367	0	32	-2.0	-123.18	335.18	1.79	-121.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)=C1C	REAL300000327368	0	38	-2.0	-135.46	342.28	2.19	-133.27
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000327369	0	32	-2.0	-130.30	315.09	0.91	-129.39
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000327370	0	38	-2.0	-118.72	353.20	2.43	-116.29
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000327371	0	29	-2.0	-126.29	302.80	-0.13	-126.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C=C1	REAL300000327372	0	35	-2.0	-133.22	325.04	1.62	-131.60
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000327373	0	36	-2.0	-117.90	340.70	1.13	-116.77
CN1C=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000327374	0	33	-2.0	-130.44	316.26	0.19	-130.25
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C=C1	REAL300000327375	0	36	-2.0	-133.39	333.82	-0.35	-133.74
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)=C1	REAL300000327376	0	32	-2.0	-123.33	318.72	0.53	-122.80
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000327377	0	38	-2.0	-134.65	341.07	2.15	-132.50
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000327378	0	29	-2.0	-127.69	301.25	-0.12	-127.81
COC1=CC(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000327379	0	40	-2.0	-132.13	367.94	0.65	-131.48
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000327380	0	36	-2.0	-140.62	336.91	0.91	-139.71
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000327381	0	42	-2.0	-137.59	364.85	3.47	-134.12
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C=C1	REAL300000327382	0	41	-2.0	-135.70	363.51	2.84	-132.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C=C1	REAL300000327383	0	38	-2.0	-131.34	339.74	2.56	-128.78
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C=C1	REAL300000327384	0	39	-2.0	-139.07	360.04	1.41	-137.66
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000327385	0	34	-3.0	-209.68	338.01	1.41	-208.27
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000327386	0	39	-2.0	-137.95	353.86	2.73	-135.22
CC1=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000327387	0	32	-2.0	-125.65	312.61	-0.01	-125.66
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000327388	0	38	-2.0	-137.10	351.78	0.61	-136.49
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)=C1	REAL300000327389	0	36	-2.0	-134.82	338.53	-0.06	-134.88
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000327390	0	40	-2.0	-120.40	363.25	1.46	-118.94
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000327391	0	32	-2.0	-121.21	337.29	1.69	-119.52
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000327392	0	32	-2.0	-124.04	327.21	1.42	-122.62
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300000327393	0	36	-2.0	-116.21	356.72	1.67	-114.54
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)=CC=C1OCC(=O)[O-]	REAL300000327394	0	39	-2.0	-118.34	360.77	1.83	-116.51
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C=C1	REAL300000327395	0	35	-2.0	-123.34	330.32	1.66	-121.68
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)=CC=C1OCCCC(=O)[O-]	REAL300000327396	0	45	-2.0	-118.35	403.22	2.76	-115.59
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000327397	0	36	-2.0	-117.19	346.92	1.19	-116.00
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000327398	0	39	-2.0	-141.25	358.77	1.82	-139.43
CC1=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C(C(=O)[O-])S1	REAL300000327399	0	32	-2.0	-129.08	319.31	0.73	-128.35
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300000327400	0	32	-2.0	-121.40	337.84	1.85	-119.55
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000327401	0	32	-2.0	-116.97	322.65	1.39	-115.58
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000327402	0	32	-2.0	-118.51	314.15	0.88	-117.63
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000327403	0	29	-2.0	-121.91	301.87	-0.03	-121.94
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000327404	0	32	-2.0	-124.66	316.02	0.91	-123.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)=C1F	REAL300000327405	0	35	-2.0	-131.92	335.37	1.55	-130.37
COC1=CC(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000327406	0	36	-2.0	-121.56	349.92	1.45	-120.11
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000327407	0	32	-2.0	-119.59	315.06	0.91	-118.68
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000327408	0	32	-2.0	-116.91	322.12	1.25	-115.66
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C=C1	REAL300000327409	0	35	-2.0	-125.07	339.05	2.04	-123.03
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000327410	0	40	-2.0	-115.81	373.36	2.25	-113.56
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000327411	0	32	-2.0	-120.23	320.43	0.94	-119.29
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000327412	0	34	-2.0	-118.18	337.80	1.51	-116.67
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000327413	0	33	-2.0	-132.42	319.33	-1.43	-133.85
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000327414	0	35	-2.0	-124.07	331.80	1.63	-122.44
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000327415	0	32	-2.0	-121.79	330.32	1.37	-120.42
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C=C1	REAL300000327416	0	35	-2.0	-129.71	319.68	1.47	-128.24
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)=CC(C(=O)[O-])=C1F	REAL300000327417	0	35	-2.0	-130.40	334.44	1.49	-128.91
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C=C1	REAL300000327418	0	35	-2.0	-119.50	325.01	1.60	-117.90
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)=CC(C(=O)[O-])=C1C	REAL300000327419	0	38	-2.0	-135.51	343.08	1.93	-133.58
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000327420	0	34	-2.0	-128.87	336.15	1.94	-126.93
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000327421	0	32	-2.0	-121.64	321.35	0.97	-120.67
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C(C)=C1C(=O)[O-]	REAL300000327422	0	38	-2.0	-134.28	343.00	2.25	-132.03
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000327423	0	35	-2.0	-131.69	331.09	1.44	-130.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)=C1Cl	REAL300000327424	0	35	-2.0	-129.86	341.38	1.97	-127.89
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)=C1	REAL300000327425	0	35	-2.0	-139.31	334.65	1.53	-137.78
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000327426	0	38	-2.0	-136.91	343.94	2.03	-134.88
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C1CC(=O)[O-]	REAL300000327427	0	39	-2.0	-136.12	360.09	0.97	-135.15
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C=C1	REAL300000327428	0	35	-2.0	-122.55	335.88	2.03	-120.52
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300000327429	0	35	-2.0	-116.08	339.71	1.66	-114.42
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000327430	0	35	-2.0	-129.47	340.82	1.80	-127.67
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000327431	0	36	-2.0	-133.86	337.64	1.06	-132.80
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C(C)=C1CC(=O)[O-]	REAL300000327432	0	44	-2.0	-131.64	374.51	3.69	-127.95
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=N1	REAL300000327433	0	32	-2.0	-119.84	335.22	1.40	-118.44
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000327434	0	35	-2.0	-125.48	339.47	1.81	-123.67
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C(C(=O)[O-])S1	REAL300000327435	0	41	-2.0	-128.15	359.05	2.93	-125.22
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000327436	0	36	-2.0	-133.42	349.94	1.46	-131.96
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000327437	0	35	-2.0	-119.77	325.61	1.39	-118.38
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000327438	0	37	-2.0	-125.74	352.86	3.03	-122.71
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C=C1	REAL300000327439	0	35	-2.0	-130.24	329.15	1.68	-128.56
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000327440	0	34	-2.0	-141.68	333.36	2.70	-138.98
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000327441	0	32	-2.0	-138.43	313.27	0.88	-137.55
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000327442	0	35	-2.0	-123.71	330.78	1.41	-122.30
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000327443	0	38	-2.0	-143.57	350.66	2.96	-140.61
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000327444	0	31	-2.0	-130.63	306.60	-1.10	-131.73
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C=C1	REAL300000327445	0	36	-2.0	-124.38	337.82	0.65	-123.73
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000327446	0	29	-2.0	-119.49	309.75	-0.18	-119.67
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000327447	0	39	-2.0	-126.28	355.73	2.73	-123.55
NC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000327448	0	39	-2.0	-130.12	355.04	2.73	-127.39
CCC1=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000327449	0	35	-2.0	-125.44	331.74	0.84	-124.60
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000327450	1	44	-2.0	-102.90	388.49	5.75	-97.15
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000327451	1	44	-2.0	-93.24	383.93	5.73	-87.51
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000327452	1	44	-2.0	-105.16	383.94	5.72	-99.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2C)C=C1C(=O)[O-]	REAL300000327453	1	47	-2.0	-106.07	399.96	6.25	-99.82
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000327454	0	44	-2.0	-102.04	389.41	5.78	-96.26
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000327455	0	41	-2.0	-99.61	377.13	4.73	-94.88
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)C)C=C1C	REAL300000327456	1	47	-2.0	-105.85	399.38	6.51	-99.34
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000327457	0	45	-2.0	-103.57	390.59	5.07	-98.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2C)=C1	REAL300000327458	0	44	-2.0	-95.84	393.05	5.40	-90.44
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000327459	0	41	-2.0	-101.01	375.59	4.76	-96.25
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2C)C=C(C(=O)[O-])O1	REAL300000327460	0	44	-2.0	-99.23	386.96	4.86	-94.37
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2C)C=C(C(=O)[O-])S1	REAL300000327461	0	44	-2.0	-102.40	393.64	5.61	-96.79
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000327462	1	44	-2.0	-92.94	388.47	5.76	-87.18
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000327463	0	41	-2.0	-94.74	376.21	4.85	-89.89
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000327464	1	44	-2.0	-96.24	390.36	5.79	-90.45
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000327465	0	44	-2.0	-92.48	389.40	5.79	-86.69
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000327466	0	45	-2.0	-104.69	393.66	3.42	-101.27
CC1=CC(C(=O)NC(C)C)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000327466	1	45	-2.0	-107.31	387.88	4.30	-103.01
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000327467	1	47	-2.0	-96.14	406.12	6.50	-89.64
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000327468	1	47	-2.0	-101.54	393.98	6.37	-95.17
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000327469	1	47	-2.0	-93.46	399.35	6.50	-86.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2C)C=C1C(=O)[O-]	REAL300000327470	0	48	-2.0	-104.80	411.96	5.94	-98.86
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000327471	1	47	-2.0	-94.85	404.01	6.37	-88.48
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000327472	0	44	-2.0	-109.29	387.58	5.74	-103.55
CC1=CC(C(=O)NC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000327473	0	43	-2.0	-102.65	380.16	3.85	-98.80
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C=C2C)C=C(C(=O)[O-])O1	REAL300000327474	0	47	-2.0	-99.09	406.07	5.71	-93.38
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000327478	0	48	-2.0	-112.21	408.09	7.37	-104.84
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1	REAL300000327482	0	44	-2.0	-103.83	385.42	7.63	-96.20
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1	REAL300000327484	0	41	-2.0	-100.60	373.14	6.59	-94.01
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000327487	1	45	-2.0	-104.75	386.60	6.93	-97.82
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=C1	REAL300000327489	0	44	-2.0	-96.69	389.06	7.26	-89.43
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1	REAL300000327491	1	41	-2.0	-102.08	371.60	6.60	-95.48
CCCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000327494	0	44	-2.0	-100.59	382.95	6.71	-93.88
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000327495	0	48	-2.0	-106.90	408.87	6.66	-100.24
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=C1	REAL300000327496	1	47	-2.0	-98.16	400.66	8.39	-89.77
CCCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300000327497	1	44	-2.0	-103.92	389.64	7.46	-96.46
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=C1	REAL300000327498	1	44	-2.0	-91.38	393.01	8.13	-83.25
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1	REAL300000327500	0	41	-2.0	-95.51	372.21	6.70	-88.81
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000327501	1	44	-2.0	-97.14	386.37	7.63	-89.51
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C)=C1	REAL300000327502	0	47	-2.0	-105.33	405.71	8.28	-97.05
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300000327503	0	44	-2.0	-93.10	385.40	7.64	-85.46
CCCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1	REAL300000327505	0	45	-2.0	-104.74	383.80	6.15	-98.59
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1	REAL300000327505	1	45	-2.0	-106.75	389.67	5.27	-101.48
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=C1	REAL300000327511	0	44	-2.0	-95.38	391.70	7.69	-87.69
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C)=C1	REAL300000327513	0	47	-2.0	-106.13	405.26	8.27	-97.86
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000327514	0	47	-2.0	-110.70	405.00	8.26	-102.44
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C)=C1	REAL300000327516	1	48	-2.0	-106.01	407.97	7.79	-98.22
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000327519	0	44	-2.0	-109.91	383.59	7.60	-102.31
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1	REAL300000327521	0	43	-2.0	-103.97	376.16	5.69	-98.28
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300000327522	1	48	-2.0	-98.04	408.14	7.38	-90.66
CCCCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000327523	0	41	-2.0	-94.27	380.06	6.55	-87.72
CCCCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000327524	0	47	-2.0	-100.48	402.08	7.56	-92.92
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000327526	1	39	-2.0	-108.96	366.70	5.04	-103.92
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000327528	0	36	-2.0	-103.16	359.88	4.07	-99.09
COCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000327530	1	40	-2.0	-107.24	373.35	4.41	-102.83
COCCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000327531	1	36	-2.0	-104.29	358.35	4.08	-100.21
COCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000327532	0	39	-2.0	-103.44	369.71	4.19	-99.25
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000327533	0	36	-2.0	-97.95	358.97	4.18	-93.77
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000327534	1	42	-2.0	-99.87	388.88	5.83	-94.04
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000327538	0	38	-2.0	-101.69	363.68	3.11	-98.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC(F)=C2)C=C1	REAL300000327539	0	39	-2.0	-100.91	362.21	8.03	-92.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC(F)=C2)=C1	REAL300000327540	0	39	-2.0	-114.65	362.23	8.02	-106.63
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC(F)=C2)=C1	REAL300000327541	0	36	-2.0	-108.57	355.42	7.04	-101.53
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300000327542	0	40	-2.0	-107.49	368.38	7.34	-100.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC(F)=C2)=CS1	REAL300000327543	0	36	-2.0	-108.82	353.88	7.05	-101.77
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC(F)=C2)C=C(C(=O)[O-])O1	REAL300000327544	0	39	-2.0	-107.41	365.24	7.16	-100.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC(F)=C2)S1	REAL300000327545	0	36	-2.0	-97.32	354.04	7.12	-90.20
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC(F)=C2)=C1	REAL300000327546	0	38	-2.0	-111.17	357.70	6.10	-105.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=CC=C1F	REAL300000327547	1	33	-2.0	-104.62	327.17	5.08	-99.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1	REAL300000327548	1	33	-2.0	-94.90	322.62	5.06	-89.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C1	REAL300000327549	1	33	-2.0	-107.01	322.64	5.05	-101.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CSN=N2)C=C1	REAL300000327550	0	37	-2.0	-111.79	350.78	4.85	-106.94
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1	REAL300000327551	1	37	-2.0	-94.46	354.09	6.35	-88.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1C(=O)[O-]	REAL300000327552	1	36	-2.0	-108.01	338.66	5.59	-102.42
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C1	REAL300000327553	0	33	-2.0	-102.21	335.71	5.63	-96.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=CC=C1Cl	REAL300000327554	1	33	-2.0	-102.93	335.15	5.45	-97.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C1C	REAL300000327555	1	39	-2.0	-109.23	355.04	6.36	-102.87
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C1	REAL300000327556	0	33	-2.0	-103.78	328.12	5.12	-98.66
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1	REAL300000327557	1	39	-2.0	-93.46	366.21	6.64	-86.82
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C1	REAL300000327558	0	30	-2.0	-101.45	315.82	4.08	-97.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CSN=N2)C=C1	REAL300000327559	1	36	-2.0	-107.44	338.07	5.84	-101.60
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1	REAL300000327560	1	37	-2.0	-93.08	353.71	5.34	-87.74
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1C(=O)[O-]	REAL300000327561	0	34	-2.0	-105.46	329.30	4.40	-101.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C1	REAL300000327563	0	33	-2.0	-97.65	331.77	4.74	-92.91
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1C(=O)[O-]	REAL300000327564	1	39	-2.0	-108.56	354.10	6.38	-102.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=CS1	REAL300000327565	0	30	-2.0	-107.10	314.29	4.09	-103.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1C(=O)[O-]	REAL300000327566	1	37	-2.0	-112.85	349.92	5.12	-107.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CSN=N2)C=C1	REAL300000327567	1	39	-2.0	-105.73	352.79	6.78	-98.95
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000327568	0	33	-2.0	-100.86	325.68	4.20	-96.66
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C1	REAL300000327569	0	37	-2.0	-108.30	351.61	4.14	-104.16
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CSN=N2)C=C1	REAL300000327570	1	36	-2.0	-98.27	343.35	5.87	-92.40
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000327571	0	33	-2.0	-104.04	331.25	4.94	-99.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C(Cl)=C1	REAL300000327572	0	33	-2.0	-92.52	335.69	5.61	-86.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1F	REAL300000327573	1	33	-2.0	-94.55	327.18	5.09	-89.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)S1	REAL300000327574	0	30	-2.0	-96.51	314.90	4.18	-92.33
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C1	REAL300000327575	1	33	-2.0	-97.99	329.04	5.12	-92.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C1F	REAL300000327576	0	36	-2.0	-105.07	348.40	5.76	-99.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C(F)=C1	REAL300000327577	0	33	-2.0	-94.30	328.10	5.12	-89.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1Cl	REAL300000327578	1	33	-2.0	-92.50	335.13	5.45	-87.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=CC(F)=C1F	REAL300000327579	1	33	-2.0	-96.38	333.47	5.15	-91.23
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C1	REAL300000327580	0	34	-2.0	-106.21	332.36	2.76	-103.45
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=CSN=N3)C=C2)=C1	REAL300000327580	1	34	-2.0	-106.36	331.56	3.57	-102.79
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1	REAL300000327581	1	36	-2.0	-97.78	344.81	5.84	-91.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CSN=N2)C=C1	REAL300000327582	1	36	-2.0	-104.73	336.46	5.79	-98.94
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000327583	1	36	-2.0	-110.14	347.47	5.70	-104.44
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CSN=N2)C=C1	REAL300000327584	1	36	-2.0	-95.10	338.05	5.82	-89.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000327585	1	39	-2.0	-114.49	355.52	6.12	-108.37
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C1	REAL300000327586	0	33	-2.0	-95.61	334.40	5.18	-90.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C(C)=C1C(=O)[O-]	REAL300000327587	1	39	-2.0	-108.01	356.03	6.46	-101.55
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1C(=O)[O-]	REAL300000327588	0	36	-2.0	-104.83	344.12	5.65	-99.18
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C1	REAL300000327589	0	36	-2.0	-112.22	347.68	5.74	-106.48
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1C(=O)[O-]	REAL300000327590	1	39	-2.0	-108.69	356.88	6.24	-102.45
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1C(=O)[O-]	REAL300000327591	0	37	-2.0	-106.72	350.67	5.27	-101.45
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=CC=C1C(=O)[O-]	REAL300000327592	1	36	-2.0	-94.99	338.64	5.60	-89.39
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CSN=N2)C=C1	REAL300000327593	1	36	-2.0	-104.98	342.59	5.87	-99.11
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C1F	REAL300000327594	0	33	-2.0	-111.51	326.26	5.08	-106.43
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C1C(=O)[O-]	REAL300000327595	1	36	-2.0	-99.78	347.58	5.73	-94.05
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C1	REAL300000327596	0	32	-2.0	-104.65	318.85	3.18	-101.47
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CSN=N2)C=C1	REAL300000327597	0	37	-2.0	-98.88	350.84	4.85	-94.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)=C(Cl)O1	REAL300000327598	0	30	-2.0	-94.93	322.79	4.04	-90.89
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CSN=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000327599	0	36	-2.0	-100.62	344.76	5.05	-95.57
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000327600	1	40	-2.0	-106.43	368.75	4.93	-101.50
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2)=N1	REAL300000327601	1	40	-2.0	-96.50	364.20	4.91	-91.59
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300000327602	1	40	-2.0	-108.84	363.33	4.86	-103.98
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2)=N1	REAL300000327603	1	44	-2.0	-96.25	395.67	6.19	-90.06
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000327604	1	43	-2.0	-111.21	384.29	5.55	-105.66
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)=N1	REAL300000327605	0	40	-2.0	-106.27	369.70	4.96	-101.31
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)=N1	REAL300000327606	0	37	-2.0	-103.07	357.40	3.92	-99.15
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2)=N1	REAL300000327607	1	43	-2.0	-110.18	378.75	5.65	-104.53
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000327608	0	41	-2.0	-107.21	369.97	4.22	-102.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NC(C)=C(C)O3)C=C2)=C1	REAL300000327609	0	40	-2.0	-99.34	372.45	4.55	-94.79
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)=N1	REAL300000327610	0	37	-2.0	-104.63	355.87	3.94	-100.69
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)=N1	REAL300000327611	0	40	-2.0	-103.09	367.23	4.05	-99.04
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2)=N1	REAL300000327612	0	40	-2.0	-106.66	372.82	4.79	-101.87
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)=N1	REAL300000327613	1	40	-2.0	-96.09	368.73	4.94	-91.15
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)=N1	REAL300000327614	0	37	-2.0	-98.09	356.49	4.03	-94.06
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300000327615	1	40	-2.0	-99.66	370.62	4.97	-94.69
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)=N1	REAL300000327616	0	40	-2.0	-95.75	369.68	4.97	-90.78
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)=N1	REAL300000327617	0	41	-2.0	-109.32	373.93	2.61	-106.71
CC1=C(C)OC(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)=N1	REAL300000327617	1	41	-2.0	-109.60	372.25	3.37	-106.23
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)=N1	REAL300000327618	1	43	-2.0	-100.15	386.39	5.68	-94.47
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2)=N1	REAL300000327619	1	43	-2.0	-105.94	378.04	5.64	-100.30
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C2)=N1	REAL300000327620	1	43	-2.0	-96.88	379.63	5.67	-91.21
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NC(C)=C(C)O3)C=C2)C=C1C(=O)[O-]	REAL300000327621	0	44	-2.0	-108.45	392.24	5.12	-103.33
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2)=N1	REAL300000327622	1	43	-2.0	-96.62	380.22	5.44	-91.18
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)=N1	REAL300000327623	0	40	-2.0	-112.62	366.93	4.89	-107.73
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=N1	REAL300000327624	0	39	-2.0	-106.33	359.53	2.99	-103.34
CC1=C(C)OC(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)=N1	REAL300000327625	0	37	-2.0	-96.85	364.37	3.88	-92.97
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NC(C)=C(C)O3)C=C2)C=C(C(=O)[O-])O1	REAL300000327626	0	43	-2.0	-103.07	386.34	4.90	-98.17
CN(C1=C(F)C=CC=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000327655	0	34	-2.0	-113.94	333.09	7.26	-106.68
CN(C1=C(F)C=CC=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000327683	0	32	-2.0	-111.07	298.74	5.36	-105.71
CN(C1=CC=C(C(C)(C)C)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000327742	0	46	-2.0	-109.13	394.82	9.41	-99.72
CN(C1=CC=C(C(C)(C)C)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000327762	0	44	-2.0	-107.80	369.19	7.42	-100.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=CC=C1F	REAL300000327793	1	37	-2.0	-109.51	338.93	5.10	-104.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000327795	1	37	-2.0	-118.75	334.40	5.07	-113.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2CCOC2=O)C=C1	REAL300000327796	0	41	-2.0	-125.44	362.55	4.86	-120.58
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)C=C1	REAL300000327797	1	41	-2.0	-105.60	365.85	6.36	-99.24
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000327799	0	37	-2.0	-115.25	347.47	5.64	-109.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=CC=C1Cl	REAL300000327800	1	37	-2.0	-107.75	346.91	5.45	-102.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C1C	REAL300000327801	1	43	-2.0	-122.95	366.80	6.38	-116.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000327802	0	37	-2.0	-116.81	339.88	5.13	-111.68
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)C=C1	REAL300000327803	1	43	-2.0	-105.24	377.97	6.65	-98.59
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000327804	0	34	-2.0	-112.79	327.59	4.09	-108.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2CCOC2=O)C=C1	REAL300000327805	1	40	-2.0	-121.06	349.83	5.85	-115.21
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)C=C1C(=O)[O-]	REAL300000327807	1	38	-2.0	-110.35	341.05	4.41	-105.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000327809	0	37	-2.0	-102.46	343.51	4.74	-97.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=CS1	REAL300000327811	0	34	-2.0	-107.72	326.05	4.10	-103.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2CCOC2=O)C=C1	REAL300000327813	1	43	-2.0	-119.76	364.55	6.78	-112.98
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000327814	0	37	-2.0	-105.59	337.41	4.20	-101.39
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000327815	0	41	-2.0	-119.33	363.37	4.16	-115.17
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2CCOC2=O)C=C1	REAL300000327816	1	40	-2.0	-102.89	355.11	5.88	-97.01
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)C=C(C(=O)[O-])S1	REAL300000327817	1	37	-2.0	-117.17	343.00	4.96	-112.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)C(Cl)=C1	REAL300000327818	0	37	-2.0	-103.37	347.45	5.63	-97.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)C=C1F	REAL300000327819	1	37	-2.0	-99.45	338.94	5.11	-94.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)S1	REAL300000327820	0	34	-2.0	-107.63	326.67	4.20	-103.43
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000327821	1	37	-2.0	-102.83	340.81	5.12	-97.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C1F	REAL300000327822	0	40	-2.0	-118.19	360.16	5.77	-112.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)C(F)=C1	REAL300000327823	0	37	-2.0	-105.05	339.86	5.14	-99.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)C=C1Cl	REAL300000327824	1	37	-2.0	-97.45	346.91	5.47	-91.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=CC(F)=C1F	REAL300000327825	1	37	-2.0	-101.26	345.23	5.16	-96.10
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000327826	0	38	-2.0	-120.35	344.12	2.78	-117.57
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000327826	1	38	-2.0	-117.64	343.28	3.58	-114.06
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)C=C1	REAL300000327827	1	40	-2.0	-110.37	356.57	5.84	-104.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCOC2=O)C=C1	REAL300000327828	1	40	-2.0	-114.93	348.23	5.81	-109.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=CC(C(=O)[O-])=C1F	REAL300000327829	1	40	-2.0	-110.84	359.23	5.72	-105.12
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000327832	0	37	-2.0	-100.36	346.15	5.19	-95.17
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)C=C1C(=O)[O-]	REAL300000327834	0	40	-2.0	-118.00	355.88	5.67	-112.33
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000327835	0	40	-2.0	-122.27	359.42	5.76	-116.51
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)C=C1C(=O)[O-]	REAL300000327837	1	41	-2.0	-111.60	362.43	5.28	-106.32
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C1F	REAL300000327840	0	37	-2.0	-116.70	338.06	5.10	-111.60
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)C=C1C(=O)[O-]	REAL300000327841	1	40	-2.0	-104.73	359.36	5.73	-99.00
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000327842	0	36	-2.0	-116.35	330.61	3.19	-113.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCOC2=O)C=C1	REAL300000327843	0	41	-2.0	-110.28	362.61	4.86	-105.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)=C(Cl)O1	REAL300000327844	0	34	-2.0	-99.67	334.55	4.04	-95.63
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000327845	0	40	-2.0	-105.33	356.53	5.05	-100.28
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000327846	0	41	-2.0	-110.11	364.30	6.88	-103.23
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000327847	0	41	-2.0	-99.89	359.74	6.87	-93.02
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000327848	0	41	-2.0	-112.94	359.76	6.85	-106.09
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000327849	0	45	-2.0	-117.99	387.91	6.65	-111.34
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000327850	0	45	-2.0	-98.95	391.21	8.15	-90.80
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000327851	0	44	-2.0	-114.26	375.78	7.39	-106.87
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000327852	0	41	-2.0	-107.77	372.83	7.43	-100.34
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000327853	0	41	-2.0	-108.64	372.27	7.24	-101.40
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000327854	0	47	-2.0	-115.00	392.87	8.18	-106.82
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000327855	0	41	-2.0	-109.98	365.24	6.91	-103.07
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000327856	0	47	-2.0	-98.32	403.34	8.43	-89.89
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000327857	0	38	-2.0	-107.00	352.95	5.87	-101.13
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000327858	0	44	-2.0	-113.04	375.20	7.63	-105.41
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000327859	0	45	-2.0	-97.64	390.83	7.15	-90.49
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000327860	0	42	-2.0	-111.25	366.41	6.20	-105.05
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000327861	0	45	-2.0	-113.55	383.55	5.69	-107.86
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000327862	0	41	-2.0	-103.11	368.90	6.54	-96.57
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000327863	0	47	-2.0	-114.37	391.21	8.17	-106.20
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000327864	0	38	-2.0	-108.40	351.41	5.88	-102.52
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000327865	0	45	-2.0	-118.76	387.05	6.92	-111.84
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000327866	0	50	-2.0	-115.31	413.66	8.86	-106.45
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000327867	0	47	-2.0	-110.62	389.89	8.58	-102.04
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000327868	0	48	-2.0	-119.10	410.20	7.42	-111.68
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000327869	0	43	-3.0	-190.25	388.17	7.42	-182.83
CCCCOC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000327869	1	44	-2.0	-109.41	388.19	7.37	-102.04
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000327870	0	48	-2.0	-117.71	404.01	8.75	-108.96
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000327871	0	41	-2.0	-105.97	362.77	5.99	-99.98
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000327872	0	45	-2.0	-113.82	388.75	5.95	-107.87
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000327873	0	48	-2.0	-98.25	410.92	7.84	-90.41
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000327874	0	44	-2.0	-103.54	380.47	7.67	-95.87
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000327875	0	45	-2.0	-96.96	397.06	7.20	-89.76
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000327876	0	48	-2.0	-119.43	408.90	7.83	-111.60
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000327877	0	41	-2.0	-109.37	368.39	6.74	-102.63
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000327878	0	41	-2.0	-97.18	372.81	7.42	-89.76
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000327879	0	41	-2.0	-99.21	364.28	6.89	-92.32
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000327880	0	38	-2.0	-101.79	352.02	5.98	-95.81
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000327881	0	41	-2.0	-103.57	366.17	6.92	-96.65
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000327882	0	44	-2.0	-111.51	385.51	7.55	-103.96
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000327883	0	41	-2.0	-99.49	365.23	6.92	-92.57
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000327884	0	41	-2.0	-97.34	372.25	7.25	-90.09
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000327885	0	44	-2.0	-105.25	389.21	8.05	-97.20
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000327886	0	41	-2.0	-101.42	370.58	6.94	-94.48
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000327887	0	43	-2.0	-97.54	387.95	7.52	-90.02
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000327888	0	42	-2.0	-111.55	369.48	4.55	-107.00
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000327889	0	44	-2.0	-103.27	381.94	7.63	-95.64
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000327890	0	44	-2.0	-109.28	369.80	7.48	-101.80
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000327891	0	44	-2.0	-111.53	384.59	7.50	-104.03
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000327892	0	44	-2.0	-99.75	375.18	7.62	-92.13
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000327893	0	47	-2.0	-116.33	392.64	7.92	-108.41
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000327894	0	43	-2.0	-110.58	386.32	7.95	-102.63
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000327895	0	41	-2.0	-101.57	371.50	6.98	-94.59
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000327896	0	47	-2.0	-113.84	393.29	8.26	-105.58
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000327897	0	44	-2.0	-111.26	381.24	7.45	-103.81
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000327898	0	44	-2.0	-109.72	391.54	7.98	-101.74
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000327899	0	44	-2.0	-118.60	384.80	7.54	-111.06
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000327900	0	47	-2.0	-115.02	393.73	8.04	-106.98
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000327901	0	48	-2.0	-115.88	410.22	6.98	-108.90
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000327902	0	44	-2.0	-102.34	386.03	8.04	-94.30
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000327903	0	44	-2.0	-110.49	390.99	7.81	-102.68
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000327904	0	45	-2.0	-112.52	387.78	7.06	-105.46
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000327905	0	44	-2.0	-106.29	389.63	7.82	-98.47
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000327906	0	44	-2.0	-101.69	379.82	7.50	-94.19
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000327907	0	44	-2.0	-110.11	379.71	7.67	-102.44
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000327908	0	43	-2.0	-120.55	383.51	8.71	-111.84
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000327909	0	41	-2.0	-117.71	363.40	6.89	-110.82
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000327910	0	44	-2.0	-104.50	380.93	7.42	-97.08
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000327911	0	47	-2.0	-121.53	400.81	8.97	-112.56
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000327912	0	40	-2.0	-110.92	355.97	4.96	-105.96
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000327913	0	45	-2.0	-104.19	387.97	6.65	-97.54
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000327914	0	38	-2.0	-100.01	359.87	5.82	-94.19
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000327915	0	48	-2.0	-106.26	405.89	8.74	-97.52
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000327916	0	48	-2.0	-110.17	403.85	8.71	-101.46
CCCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000327917	0	44	-2.0	-105.56	381.90	6.84	-98.72
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(OCC(=O)N(C)C)=C1	REAL300000327926	0	45	-2.0	-115.95	394.21	6.55	-109.40
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(OCC(=O)N(C)C)=C1	REAL300000327927	0	45	-2.0	-129.03	394.19	6.54	-122.49
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(OCC(=O)N(C)C)=C1	REAL300000327928	0	42	-2.0	-123.34	387.79	5.56	-117.78
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(OCC(=O)N(C)C)=C1	REAL300000327929	0	46	-2.0	-127.68	401.25	5.89	-121.79
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(OCC(=O)N(C)C)=C1	REAL300000327930	0	42	-2.0	-124.39	385.84	5.57	-118.82
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OCC(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000327931	0	45	-2.0	-121.24	397.20	5.67	-115.57
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(OCC(=O)N(C)C)=C1	REAL300000327932	0	42	-2.0	-118.08	386.87	5.67	-112.41
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(OCC(=O)N(C)C)=C1	REAL300000327933	0	44	-2.0	-127.42	390.81	4.66	-122.76
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000327934	0	44	-2.0	-118.62	378.35	6.85	-111.77
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000327935	0	44	-2.0	-107.82	383.40	7.05	-100.77
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000327936	0	44	-2.0	-119.42	383.41	7.04	-112.38
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000327937	0	47	-2.0	-124.93	398.81	7.55	-117.38
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000327938	0	44	-2.0	-116.49	388.92	7.10	-109.39
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000327939	0	41	-2.0	-113.98	376.60	6.07	-107.91
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000327940	0	47	-2.0	-118.01	398.84	7.82	-110.19
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000327941	0	45	-2.0	-118.14	390.06	6.39	-111.75
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000327942	0	44	-2.0	-111.99	392.56	6.73	-105.26
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000327943	0	41	-2.0	-115.17	375.06	6.07	-109.10
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000327944	0	44	-2.0	-111.93	386.43	6.18	-105.75
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000327945	0	44	-2.0	-114.58	392.06	6.93	-107.65
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000327946	0	44	-2.0	-109.35	377.68	6.94	-102.41
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000327947	0	41	-2.0	-110.50	375.67	6.17	-104.33
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000327948	0	44	-2.0	-113.23	389.83	7.11	-106.12
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000327949	0	44	-2.0	-108.15	388.89	7.11	-101.04
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000327950	0	45	-2.0	-116.19	393.12	4.76	-111.43
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000327951	0	47	-2.0	-110.59	405.59	7.82	-102.77
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000327952	0	47	-2.0	-119.55	393.56	7.66	-111.89
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000327953	0	47	-2.0	-106.78	398.82	7.81	-98.97
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000327954	0	48	-2.0	-119.47	411.44	7.25	-112.22
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000327955	0	47	-2.0	-110.93	392.71	7.45	-103.48
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000327956	0	44	-2.0	-129.26	387.05	7.07	-122.19
CCN(CC)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000327957	0	43	-2.0	-120.72	379.63	5.16	-115.56
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(CC)CC)C=C(C(=O)[O-])O1	REAL300000327958	0	47	-2.0	-109.68	402.10	7.02	-102.66
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000327959	1	44	-2.0	-109.43	384.39	6.46	-102.97
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000327960	1	44	-2.0	-98.77	379.85	6.44	-92.33
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000327961	1	44	-2.0	-110.75	380.82	6.46	-104.29
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000327962	1	47	-2.0	-112.13	395.34	6.96	-105.17
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000327963	0	44	-2.0	-108.71	386.32	6.53	-102.18
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000327964	0	41	-2.0	-105.95	373.06	5.43	-100.52
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000327965	1	47	-2.0	-113.65	395.30	7.20	-106.45
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000327966	0	45	-2.0	-110.16	386.50	5.78	-104.38
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000327967	0	44	-2.0	-101.44	388.98	6.10	-95.34
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000327968	0	41	-2.0	-106.50	372.47	5.50	-101.00
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000327969	0	44	-2.0	-105.25	383.83	5.60	-99.65
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000327970	1	44	-2.0	-109.70	389.57	6.31	-103.39
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000327971	1	44	-2.0	-98.09	384.37	6.47	-91.62
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000327972	0	41	-2.0	-100.29	372.13	5.56	-94.73
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000327973	1	44	-2.0	-102.56	387.22	6.53	-96.03
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000327974	0	44	-2.0	-98.08	386.31	6.54	-91.54
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000327975	0	45	-2.0	-111.60	390.56	4.18	-107.42
CCCC(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C	REAL300000327975	1	45	-2.0	-110.00	384.50	5.03	-104.97
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000327976	1	47	-2.0	-102.35	402.03	7.20	-95.15
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000327977	1	47	-2.0	-107.06	390.50	7.10	-99.96
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1C	REAL300000327979	0	48	-2.0	-110.59	407.81	6.63	-103.96
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000327980	1	47	-2.0	-98.86	396.70	7.02	-91.84
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000327981	0	44	-2.0	-114.00	383.51	6.45	-107.55
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000327982	0	43	-2.0	-109.49	376.86	4.49	-105.00
CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1C	REAL300000327983	0	47	-2.0	-106.20	401.99	6.42	-99.78
CC1=CC(SC2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000327985	1	42	-2.0	-106.64	386.20	9.87	-96.77
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1OC1=CC=CN=C1	REAL300000327989	0	38	-2.0	-103.59	362.02	5.73	-97.86
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1OC1=CC=CN=C1	REAL300000327991	1	42	-2.0	-107.40	377.60	6.22	-101.18
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CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000328026	0	38	-2.0	-104.95	354.52	5.49	-99.46
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CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000328037	1	45	-2.0	-93.98	400.16	6.80	-87.18
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CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000328040	0	41	-2.0	-93.76	375.92	7.02	-86.74
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000328041	1	41	-2.0	-95.80	367.40	6.50	-89.30
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000328042	0	38	-2.0	-98.18	355.14	5.59	-92.59
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000328043	1	41	-2.0	-99.61	369.27	6.53	-93.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(COC(C)C)C=C2)=C1F	REAL300000328044	0	44	-2.0	-108.00	388.63	7.16	-100.84
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000328045	0	41	-2.0	-96.04	368.33	6.53	-89.51
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000328046	1	41	-2.0	-93.89	375.37	6.86	-87.03
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(COC(C)C)C=C1	REAL300000328047	1	44	-2.0	-101.84	392.31	7.65	-94.19
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000328048	1	41	-2.0	-98.28	373.70	6.55	-91.73
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000328049	1	43	-2.0	-94.23	391.06	7.13	-87.10
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000328050	0	42	-2.0	-108.93	372.58	4.16	-104.77
CC(C)OCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000328050	1	42	-2.0	-105.11	371.77	4.96	-100.15
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000328051	1	44	-2.0	-100.00	385.03	7.23	-92.77
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(COC(C)C)C=C1	REAL300000328052	1	44	-2.0	-106.53	376.69	7.20	-99.33
CC1=CC(S(=O)(=O)[N-]C2=CC=C(COC(C)C)C=C2)=CC(C(=O)[O-])=C1F	REAL300000328053	1	44	-2.0	-108.17	387.70	7.11	-101.06
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000328056	0	43	-2.0	-107.42	389.44	7.55	-99.87
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000328057	0	41	-2.0	-97.84	374.61	6.58	-91.26
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(COC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000328059	0	44	-2.0	-107.48	384.34	7.06	-100.42
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CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(COC(C)C)C=C2)=C1	REAL300000328061	0	44	-2.0	-113.52	387.88	7.15	-106.37
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(COC(C)C)C=C1	REAL300000328064	1	44	-2.0	-99.52	393.41	7.72	-91.80
CC1=CC(S(=O)(=O)[N-]C2=CC=C(COC(C)C)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000328065	1	44	-2.0	-106.99	394.09	7.42	-99.57
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(COC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000328066	1	45	-2.0	-108.34	390.89	6.68	-101.66
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(COC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000328067	1	44	-2.0	-103.92	396.65	7.52	-96.40
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000328070	0	43	-2.0	-117.00	386.62	8.32	-108.68
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000328071	0	41	-2.0	-113.62	366.48	6.48	-107.14
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(COC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000328072	1	44	-2.0	-102.10	387.83	7.13	-94.97
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000328073	1	47	-2.0	-116.85	403.91	8.59	-108.26
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000328074	0	40	-2.0	-106.44	359.08	4.57	-101.87
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(COC(C)C)C=C1	REAL300000328075	0	45	-2.0	-100.84	391.07	6.25	-94.59
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000328076	0	38	-2.0	-96.43	363.01	5.43	-91.00
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000328077	1	48	-2.0	-102.92	408.99	8.35	-94.57
CC(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000328078	1	48	-2.0	-105.79	408.31	8.35	-97.44
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CNC(=O)N[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000328081	0	35	-2.0	-100.20	323.98	0.67	-99.53
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000328082	0	31	-2.0	-105.60	292.50	-0.62	-106.22
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000328083	0	27	-2.0	-95.83	280.62	0.06	-95.77
CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000328083	1	26	-3.0	-206.75	278.59	-0.85	-207.60
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000328084	0	33	-2.0	-103.60	296.75	0.87	-102.73
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000328085	0	33	-2.0	-88.71	307.92	1.16	-87.55
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000328086	0	31	-2.0	-88.16	295.43	-0.15	-88.31
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000328087	0	38	-2.0	-84.86	341.21	0.63	-84.23
CNC(=O)N[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000328088	0	24	-2.0	-92.57	274.57	-0.65	-93.22
CNC(=O)[N-][N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000328088	1	23	-3.0	-197.09	272.56	-1.57	-198.66
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000328089	0	31	-2.0	-102.49	288.56	-1.62	-104.11
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000328090	0	33	-2.0	-103.08	295.43	0.83	-102.25
CNC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000328091	0	35	-2.0	-100.52	322.69	-0.62	-101.14
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000328092	0	31	-2.0	-106.08	291.65	-0.36	-106.44
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000328093	0	37	-2.0	-104.91	319.59	2.11	-102.80
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000328094	0	36	-2.0	-103.58	318.26	1.55	-102.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC	REAL300000328095	0	33	-2.0	-100.81	292.59	1.12	-99.69
CNC(=O)N[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000328096	0	34	-2.0	-105.16	314.79	0.14	-105.02
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000328097	0	29	-3.0	-170.80	292.78	0.13	-170.67
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000328098	0	34	-2.0	-105.19	308.61	1.46	-103.73
CNC(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000328099	0	33	-2.0	-104.73	306.54	-0.66	-105.39
CNC(=O)[N-][N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000328099	1	32	-3.0	-217.90	304.52	-1.57	-219.47
CNC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000328100	0	31	-2.0	-99.96	293.26	-1.33	-101.29
CNC(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000328101	0	35	-2.0	-89.09	317.99	0.19	-88.90
CNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000328102	0	27	-2.0	-90.44	292.04	0.42	-90.02
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000328102	1	26	-3.0	-199.40	290.03	-0.49	-199.89
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000328103	0	31	-2.0	-87.03	311.48	0.39	-86.64
CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000328103	1	30	-3.0	-189.06	309.44	-0.52	-189.58
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000328104	0	34	-2.0	-88.51	315.51	0.56	-87.95
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000328105	0	37	-2.0	-88.54	344.11	0.82	-87.72
CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000328105	1	36	-3.0	-188.19	342.10	-0.09	-188.28
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000328106	0	30	-2.0	-92.99	285.07	0.38	-92.61
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000328106	1	29	-3.0	-198.40	283.06	-0.55	-198.95
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000328107	0	40	-2.0	-89.17	357.96	1.49	-87.68
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000328108	0	31	-2.0	-88.09	301.66	-0.08	-88.17
CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000328108	1	30	-3.0	-189.27	299.64	-1.00	-190.27
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000328109	0	37	-2.0	-88.01	353.91	1.31	-86.70
CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000328109	1	36	-3.0	-188.40	351.90	0.39	-188.01
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)NC)C=C1C(=O)[O-]	REAL300000328110	0	34	-2.0	-106.64	313.50	0.55	-106.09
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000328111	0	27	-2.0	-90.71	292.58	0.59	-90.12
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000328111	1	26	-3.0	-197.24	290.57	-0.35	-197.59
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000328112	0	27	-2.0	-86.73	277.41	0.13	-86.60
CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000328112	1	26	-3.0	-191.06	275.40	-0.81	-191.87
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000328113	0	27	-2.0	-86.49	280.76	0.26	-86.23
CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000328113	1	26	-3.0	-189.86	278.75	-0.66	-190.52
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000328114	0	30	-2.0	-98.61	290.12	0.27	-98.34
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000328114	1	29	-3.0	-210.38	288.11	-0.64	-211.02
CNC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000328115	0	31	-2.0	-91.26	304.67	0.18	-91.08
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000328115	1	30	-3.0	-195.53	302.66	-0.75	-196.28
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000328116	0	27	-2.0	-86.75	276.85	-0.03	-86.78
CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000328116	1	26	-3.0	-191.21	274.84	-0.94	-192.15
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000328117	0	30	-2.0	-94.56	293.80	0.77	-93.79
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000328117	1	29	-3.0	-200.73	291.79	-0.17	-200.90
CNC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000328118	0	30	-2.0	-90.03	295.19	0.80	-89.23
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000328118	1	29	-3.0	-202.20	293.17	-0.14	-202.34
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000328119	0	35	-2.0	-86.89	328.10	0.98	-85.91
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000328120	0	27	-2.0	-86.27	280.59	0.07	-86.20
CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000328120	1	26	-3.0	-191.15	278.58	-0.84	-191.99
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000328121	0	29	-2.0	-86.24	292.56	0.24	-86.00
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000328121	1	28	-3.0	-193.69	290.55	-0.67	-194.36
CNC(=O)N[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000328122	0	30	-2.0	-94.00	298.25	0.63	-93.37
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000328122	1	29	-3.0	-206.27	296.24	-0.28	-206.55
CNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000328123	0	27	-2.0	-91.76	285.07	0.10	-91.66
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000328123	1	26	-3.0	-198.85	283.06	-0.81	-199.66
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000328124	0	30	-2.0	-95.03	297.83	0.86	-94.17
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000328124	1	29	-3.0	-201.49	295.82	-0.08	-201.57
CNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000328125	0	30	-2.0	-99.50	289.19	0.22	-99.28
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000328125	1	29	-3.0	-209.29	287.18	-0.69	-209.98
CNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000328126	0	33	-2.0	-103.92	301.16	0.74	-103.18
CNC(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000328127	0	29	-2.0	-99.82	290.93	0.67	-99.15
CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000328127	1	28	-3.0	-204.99	288.92	-0.24	-205.23
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000328128	0	27	-2.0	-89.53	276.11	-0.30	-89.83
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000328128	1	26	-3.0	-198.21	274.10	-1.22	-199.43
CNC(=O)N[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000328129	0	24	-2.0	-87.65	276.94	-0.76	-88.41
CNC(=O)[N-][N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000328129	1	23	-3.0	-193.81	274.92	-1.68	-195.49
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000328130	0	33	-2.0	-100.03	297.74	0.90	-99.13
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000328131	0	30	-2.0	-98.29	285.83	0.17	-98.12
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000328131	1	29	-3.0	-210.30	283.82	-0.74	-211.04
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000328132	0	30	-2.0	-98.14	296.12	0.70	-97.44
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000328132	1	29	-3.0	-207.08	294.11	-0.23	-207.31
CNC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000328133	0	30	-2.0	-103.47	289.39	0.26	-103.21
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000328133	1	29	-3.0	-221.57	287.38	-0.65	-222.22
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Br	REAL300000328134	0	31	-2.0	-102.12	308.03	0.33	-101.79
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Br	REAL300000328134	1	30	-3.0	-208.59	306.01	-0.60	-209.19
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)NC)C=C1C(=O)[O-]	REAL300000328135	0	33	-2.0	-101.55	298.64	0.76	-100.79
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000328136	0	27	-2.0	-93.80	285.30	0.29	-93.51
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000328136	1	26	-3.0	-197.34	283.29	-0.63	-197.97
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000328137	0	34	-2.0	-101.65	314.83	-0.30	-101.95
CNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000328138	0	30	-2.0	-89.72	290.62	0.69	-89.03
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000328138	1	29	-3.0	-201.47	288.61	-0.24	-201.71
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000328139	0	30	-2.0	-85.95	294.48	0.37	-85.58
CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000328139	1	29	-3.0	-189.67	292.46	-0.53	-190.20
CNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000328140	0	30	-2.0	-97.90	295.58	0.53	-97.37
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000328140	1	29	-3.0	-209.53	293.57	-0.38	-209.91
CNC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000328141	0	27	-2.0	-93.24	285.66	0.18	-93.06
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000328141	1	26	-3.0	-203.78	283.64	-0.73	-204.51
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300000328142	0	30	-2.0	-97.96	298.94	0.83	-97.13
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300000328142	1	29	-3.0	-206.00	296.92	-0.09	-206.09
CNC(=O)N[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000328143	0	39	-2.0	-98.71	328.76	2.40	-96.31
CNC(=O)N[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C(C(=O)[O-])=C1	REAL300000328144	0	27	-2.0	-90.80	296.25	0.52	-90.28
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(Br)=C(Cl)C(C(=O)[O-])=C1	REAL300000328144	1	26	-3.0	-200.22	294.24	-0.39	-200.61
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000328145	0	26	-3.0	-194.92	287.95	-0.79	-195.71
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000328145	1	27	-2.0	-88.84	289.96	0.13	-88.71
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000328146	0	31	-2.0	-87.72	309.06	-0.13	-87.85
CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000328146	1	30	-3.0	-193.90	307.04	-1.04	-194.94
CNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000328147	0	30	-2.0	-93.57	294.24	0.54	-93.03
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000328147	1	29	-3.0	-205.36	292.22	-0.38	-205.74
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Br	REAL300000328148	0	27	-2.0	-92.37	293.27	0.65	-91.72
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Br	REAL300000328148	1	26	-3.0	-197.59	291.26	-0.27	-197.86
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000328149	0	31	-2.0	-102.35	304.68	0.20	-102.15
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000328149	1	30	-3.0	-209.76	302.67	-0.74	-210.50
CNC(=O)N[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1C	REAL300000328150	0	33	-2.0	-93.62	315.97	1.42	-92.20
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000328151	0	32	-2.0	-92.23	305.08	1.64	-90.59
CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000328151	1	31	-3.0	-202.02	305.62	0.71	-201.31
CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000328152	0	30	-2.0	-100.00	284.31	0.39	-99.61
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000328152	1	29	-3.0	-204.45	282.30	-0.55	-205.00
CNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000328153	0	29	-2.0	-105.96	288.09	1.44	-104.52
CNC(=O)[N-][N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000328153	1	28	-3.0	-223.27	286.09	0.51	-222.76
CNC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000328154	0	30	-2.0	-92.08	285.54	0.14	-91.94
CNC(=O)[N-][N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000328154	1	29	-3.0	-202.81	283.52	-0.77	-203.58
CNC(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000328155	0	33	-2.0	-107.54	305.40	1.69	-105.85
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000328156	0	31	-2.0	-92.55	292.56	-0.62	-93.17
CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000328157	0	31	-2.0	-96.07	308.15	0.12	-95.95
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CC1=NC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])=CN1C	REAL300000328184	0	42	-2.0	-141.73	375.55	6.94	-134.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])C=N1	REAL300000328185	0	42	-2.0	-125.12	377.91	6.63	-118.49
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(OC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000328186	0	39	-2.0	-122.17	354.11	5.04	-117.13
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000328187	1	43	-2.0	-130.54	381.36	7.35	-123.19
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])=N1	REAL300000328189	0	39	-2.0	-136.24	356.87	5.58	-130.66
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CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])SC=C1	REAL300000328196	0	39	-2.0	-126.57	360.10	7.87	-118.70
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000328199	1	45	-2.0	-130.44	394.75	9.47	-120.97
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])S1	REAL300000328200	0	38	-2.0	-123.55	360.38	5.88	-117.67
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])=C(C)O1	REAL300000328204	0	42	-2.0	-124.53	374.83	7.63	-116.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])O1	REAL300000328205	0	39	-2.0	-127.80	356.45	6.86	-120.94
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CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])C(N)=NO1	REAL300000328211	0	40	-2.0	-117.47	359.38	5.42	-112.05
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CC1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000328220	0	39	-2.0	-126.32	365.43	7.71	-118.61
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CC1=NSC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000328222	0	38	-2.0	-119.67	360.33	6.35	-113.32
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CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])C=NN1C	REAL300000328228	0	42	-2.0	-123.35	372.52	6.29	-117.06
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(OC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000328230	0	42	-2.0	-125.60	375.23	6.41	-119.19
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(OC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000328234	0	38	-2.0	-116.87	348.80	6.01	-110.86
O=C([O-])C1=CC(OC2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000328235	0	38	-2.0	-131.28	352.36	6.23	-125.05
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NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])C=N1	REAL300000328239	0	39	-2.0	-119.34	357.07	5.40	-113.94
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CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])N=CN1	REAL300000328242	0	39	-2.0	-135.19	350.96	6.15	-129.04
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000328244	0	42	-2.0	-120.62	373.02	6.33	-114.29
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])O1	REAL300000328246	0	42	-2.0	-127.82	377.93	7.65	-120.17
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])=N1	REAL300000328247	0	41	-2.0	-125.10	372.56	4.92	-120.18
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CC1=COC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C(=O)[O-])=C1	REAL300000328249	0	39	-2.0	-126.86	356.43	6.73	-120.13
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O=C([O-])C1=CC(OC2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000328253	1	40	-2.0	-129.05	362.87	5.20	-123.85
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NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000328256	0	32	-2.0	-109.57	318.97	2.63	-106.94
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000328257	0	32	-2.0	-99.77	314.42	2.61	-97.16
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000328258	0	32	-2.0	-112.17	314.43	2.60	-109.57
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(N)=O	REAL300000328259	0	36	-2.0	-116.26	342.57	2.39	-113.87
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000328260	0	36	-2.0	-98.43	345.89	3.89	-94.54
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NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000328262	0	32	-2.0	-106.44	327.50	3.17	-103.27
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328263	0	32	-2.0	-107.95	326.94	2.99	-104.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)=C1C	REAL300000328264	0	38	-2.0	-113.51	347.54	3.93	-109.58
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000328265	0	32	-2.0	-108.64	319.91	2.66	-105.98
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000328266	0	38	-2.0	-97.54	358.01	4.19	-93.35
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000328267	0	29	-2.0	-106.70	307.62	1.61	-105.09
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NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000328269	0	36	-2.0	-97.17	345.51	2.88	-94.29
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000328270	0	33	-2.0	-110.66	321.07	1.95	-108.71
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(N)=O	REAL300000328271	0	36	-2.0	-111.99	338.21	1.44	-110.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)=C1	REAL300000328272	0	32	-2.0	-102.91	323.56	2.28	-100.63
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000328273	0	38	-2.0	-114.10	349.88	4.03	-110.07
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000328274	0	29	-2.0	-107.98	306.09	1.63	-106.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000328275	0	36	-2.0	-118.03	341.72	2.66	-115.37
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(N)=O	REAL300000328276	0	41	-2.0	-113.11	367.54	4.60	-108.51
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(N)=O	REAL300000328277	0	38	-2.0	-108.20	340.04	4.25	-103.95
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(N)=O	REAL300000328278	0	39	-2.0	-117.65	364.86	3.16	-114.49
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000328279	0	34	-3.0	-189.96	342.84	3.16	-186.80
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000328280	0	39	-2.0	-116.13	358.68	4.49	-111.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000328281	0	32	-2.0	-105.37	317.44	1.74	-103.63
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)=C1	REAL300000328282	0	36	-2.0	-113.28	343.40	1.69	-111.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)=CC=C1OCC(=O)[O-]	REAL300000328283	0	39	-2.0	-97.76	365.59	3.59	-94.17
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(N)=O	REAL300000328284	0	35	-2.0	-102.54	335.14	3.41	-99.13
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000328285	0	39	-2.0	-118.73	363.58	3.57	-115.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)C=C(C(=O)[O-])S1	REAL300000328286	0	32	-2.0	-108.10	323.06	2.49	-105.61
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000328287	0	32	-2.0	-97.00	327.48	3.16	-93.84
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000328288	0	32	-2.0	-99.22	318.97	2.64	-96.58
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000328289	0	29	-2.0	-101.58	306.70	1.73	-99.85
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000328290	0	32	-2.0	-103.15	320.85	2.66	-100.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)=C1F	REAL300000328291	0	35	-2.0	-110.27	340.18	3.29	-106.98
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000328292	0	32	-2.0	-99.46	319.90	2.67	-96.79
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000328293	0	32	-2.0	-97.37	326.94	3.00	-94.37
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000328294	0	32	-2.0	-101.24	325.25	2.69	-98.55
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000328295	0	34	-2.0	-97.36	342.62	3.27	-94.09
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000328296	0	33	-2.0	-109.65	324.15	0.30	-109.35
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000328297	0	35	-2.0	-102.40	336.61	3.38	-99.02
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(N)=O	REAL300000328298	0	35	-2.0	-109.18	324.47	3.24	-105.94
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)=CC(C(=O)[O-])=C1F	REAL300000328299	0	35	-2.0	-111.13	339.26	3.25	-107.88
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(N)=O	REAL300000328300	0	35	-2.0	-99.50	329.84	3.38	-96.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)=CC(C(=O)[O-])=C1C	REAL300000328301	0	38	-2.0	-115.53	347.31	3.66	-111.87
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000328302	0	34	-2.0	-110.43	341.01	3.69	-106.74
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000328303	0	32	-2.0	-100.78	326.17	2.72	-98.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)C(C)=C1C(=O)[O-]	REAL300000328304	0	38	-2.0	-113.87	347.96	4.00	-109.87
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000328305	0	35	-2.0	-111.05	339.75	3.29	-107.76
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)=C1	REAL300000328306	0	35	-2.0	-118.32	339.48	3.29	-115.03
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000328307	0	38	-2.0	-114.18	348.40	3.78	-110.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)C=C1CC(=O)[O-]	REAL300000328308	0	39	-2.0	-115.68	364.91	2.73	-112.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000328309	0	36	-2.0	-111.97	342.46	2.82	-109.15
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)=CC=C1C(=O)[O-]	REAL300000328310	0	35	-2.0	-101.53	334.50	3.24	-98.29
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(N)=O	REAL300000328311	0	35	-2.0	-108.74	334.38	3.41	-105.33
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000328312	0	34	-2.0	-119.62	338.17	4.45	-115.17
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000328313	0	32	-2.0	-117.40	318.07	2.62	-114.78
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000328314	0	35	-2.0	-104.08	335.60	3.17	-100.91
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000328315	0	31	-2.0	-110.28	310.64	0.72	-109.56
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(N)=O	REAL300000328316	0	36	-2.0	-103.75	342.63	2.39	-101.36
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000328317	0	29	-2.0	-99.73	314.54	1.57	-98.16
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000328318	0	39	-2.0	-105.58	360.56	4.48	-101.10
NC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000328319	0	39	-2.0	-110.24	358.52	4.46	-105.78
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000328320	0	35	-2.0	-104.03	332.70	2.57	-101.46
CCOC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000328321	0	38	-2.0	-97.46	355.80	6.29	-91.17
CCOC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000328322	0	38	-2.0	-110.25	355.49	6.27	-103.98
CCOC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000328323	0	35	-2.0	-104.42	349.00	5.30	-99.12
CCOC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000328324	0	39	-2.0	-108.57	362.45	5.63	-102.94
CCOC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000328325	0	35	-2.0	-105.82	347.13	5.31	-100.51
CCOC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000328326	0	38	-2.0	-104.11	358.48	5.41	-98.70
CCOC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000328327	0	35	-2.0	-99.33	347.73	5.40	-93.93
CCOC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000328328	0	37	-2.0	-107.83	352.78	4.34	-103.49
COCCOC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000328329	1	43	-2.0	-104.88	388.36	3.37	-101.51
COCCOC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000328330	1	43	-2.0	-117.21	388.36	3.35	-113.86
COCCOC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000328331	0	44	-2.0	-115.69	395.01	2.71	-112.98
COCCOC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000328332	0	43	-2.0	-110.11	391.40	2.50	-107.61
COCCOC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000328333	0	42	-2.0	-113.46	385.35	1.41	-112.05
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328334	1	37	-2.0	-108.82	348.39	6.84	-101.98
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328335	1	34	-2.0	-109.91	332.96	6.06	-103.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1Cl	REAL300000328338	0	28	-2.0	-113.71	286.68	5.68	-108.03
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=CC=C1Cl	REAL300000328339	0	31	-2.0	-101.19	318.12	4.99	-96.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CC=C1Cl	REAL300000328340	0	27	-2.0	-97.66	290.05	4.04	-93.62
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328341	1	29	-2.0	-103.47	299.01	5.80	-97.67
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328342	1	29	-2.0	-99.31	298.99	5.80	-93.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=CC=C1Cl	REAL300000328343	0	28	-2.0	-103.56	300.40	5.99	-97.57
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328344	0	29	-2.0	-114.68	296.28	5.68	-109.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=CC=C1Cl	REAL300000328345	0	28	-2.0	-107.18	294.66	6.11	-101.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1NC(C)=O	REAL300000328346	1	39	-2.0	-118.46	362.26	3.73	-114.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=CC=C1Cl	REAL300000328347	1	32	-2.0	-99.33	324.18	5.20	-94.13
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000328348	0	31	-2.0	-122.22	317.65	5.87	-116.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000328348	1	30	-3.0	-172.52	311.18	6.00	-166.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=CC=C1Cl	REAL300000328350	1	37	-2.0	-104.53	340.99	5.36	-99.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000328351	1	33	-2.0	-104.76	325.06	6.71	-98.05
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328352	0	31	-2.0	-102.05	294.42	3.23	-98.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=CC=C1Cl	REAL300000328353	0	25	-2.0	-99.43	291.79	5.13	-94.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=CC=C1Cl	REAL300000328355	1	44	-2.0	-105.68	380.04	9.21	-96.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=CC=C1Cl	REAL300000328356	1	31	-2.0	-98.91	316.93	6.41	-92.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=CC=C1Cl	REAL300000328357	1	38	-2.0	-108.32	340.89	7.90	-100.42
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328358	0	31	-2.0	-101.76	313.09	5.84	-95.92
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328359	0	36	-2.0	-114.35	335.91	4.47	-109.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1OC	REAL300000328360	1	36	-2.0	-105.28	336.90	4.61	-100.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=CC=C1Cl	REAL300000328361	1	35	-2.0	-108.57	323.73	7.32	-101.25
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328362	0	30	-2.0	-97.49	291.36	4.37	-93.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=CC=C1Cl	REAL300000328363	1	28	-2.0	-98.02	310.11	6.38	-91.64
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328364	0	31	-2.0	-105.35	309.11	5.97	-99.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328364	1	30	-3.0	-175.59	306.64	5.97	-169.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=CC=C1Cl	REAL300000328365	1	28	-2.0	-97.27	290.89	5.52	-91.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=CC=C1Cl	REAL300000328366	0	28	-2.0	-103.00	308.03	6.49	-96.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=CC=C1Cl	REAL300000328367	1	31	-2.0	-102.94	316.90	6.41	-96.53
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328368	1	31	-2.0	-107.44	299.58	6.07	-101.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=CC=C1Cl	REAL300000328370	0	31	-2.0	-110.04	304.04	6.79	-103.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CC=C1Cl	REAL300000328371	1	28	-2.0	-103.39	294.90	5.93	-97.46
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328372	1	33	-2.0	-105.33	318.65	5.80	-99.53
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328373	1	34	-2.0	-107.10	315.07	6.84	-100.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=CC=C1Cl	REAL300000328375	1	28	-2.0	-97.45	300.78	5.97	-91.48
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328376	1	33	-2.0	-116.21	319.44	5.81	-110.40
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328378	0	34	-2.0	-119.26	323.42	6.80	-112.46
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328379	1	37	-2.0	-101.54	354.81	7.00	-94.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=CC=C1Cl	REAL300000328380	0	28	-2.0	-105.33	306.49	6.43	-98.90
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000328381	1	34	-2.0	-104.42	333.70	6.15	-98.27
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328382	1	40	-2.0	-106.18	354.40	7.73	-98.45
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328383	1	37	-2.0	-106.17	338.41	7.34	-98.83
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328384	1	40	-2.0	-106.07	356.86	8.00	-98.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328385	0	34	-3.0	-179.22	334.78	5.76	-173.46
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328385	1	35	-2.0	-101.49	321.73	5.54	-95.95
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328386	0	35	-2.0	-106.74	344.81	7.13	-99.61
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328386	1	34	-3.0	-160.95	338.10	7.26	-153.69
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=CC=C1Cl	REAL300000328387	0	28	-2.0	-107.88	301.79	6.72	-101.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CC=C1Cl	REAL300000328388	0	25	-2.0	-99.30	287.16	5.03	-94.27
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328389	1	37	-2.0	-106.22	342.57	7.63	-98.59
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328390	0	32	-2.0	-113.20	306.44	5.20	-108.00
CC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000328391	0	34	-2.0	-120.54	329.35	6.36	-114.18
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328392	0	39	-2.0	-114.20	362.51	4.07	-110.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=CC=C1Cl	REAL300000328393	0	28	-2.0	-102.07	296.23	5.60	-96.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=CC=C1Cl	REAL300000328394	1	28	-2.0	-98.33	311.64	6.44	-91.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=CC=C1Cl	REAL300000328395	0	28	-2.0	-107.94	291.31	5.97	-101.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=CC=C1Cl	REAL300000328396	1	28	-2.0	-103.29	299.47	6.03	-97.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CC=C1Cl	REAL300000328397	1	30	-2.0	-103.96	306.39	6.08	-97.88
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328398	1	33	-2.0	-102.40	321.88	6.84	-95.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=CC=C1Cl	REAL300000328399	1	30	-2.0	-98.34	318.85	6.45	-91.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1Cl	REAL300000328400	0	25	-2.0	-104.74	270.10	4.41	-100.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=CC=C1Cl	REAL300000328402	0	30	-2.0	-118.93	299.26	6.83	-112.10
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328403	0	30	-3.0	-169.42	319.71	6.54	-162.88
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328403	1	31	-2.0	-97.66	322.36	6.51	-91.15
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000328404	0	31	-2.0	-118.77	325.63	6.23	-112.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000328404	1	30	-3.0	-171.26	319.16	6.36	-164.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=CC=C1Cl	REAL300000328407	0	28	-2.0	-102.92	290.08	5.54	-97.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC=C1Cl	REAL300000328408	1	28	-2.0	-103.52	284.58	5.48	-98.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=CC=C1Cl	REAL300000328409	0	28	-2.0	-97.69	290.99	5.54	-92.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=CC=C1Cl	REAL300000328411	1	34	-2.0	-107.10	322.66	4.56	-102.54
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328413	1	43	-2.0	-108.16	369.87	8.49	-99.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=CC=C1Cl	REAL300000328414	1	28	-2.0	-100.35	294.91	5.93	-94.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=CC=C1Cl	REAL300000328415	1	28	-2.0	-100.22	299.48	6.03	-94.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC=C1Cl	REAL300000328416	0	30	-2.0	-95.59	306.40	6.08	-89.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=CC=C1Cl	REAL300000328417	1	28	-2.0	-106.85	278.17	5.40	-101.45
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328418	1	35	-2.0	-111.73	334.27	4.30	-107.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328419	0	28	-2.0	-105.78	292.00	5.21	-100.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000328420	0	37	-2.0	-105.07	341.79	7.30	-97.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000328420	1	36	-3.0	-176.09	339.31	7.31	-168.78
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328421	0	32	-2.0	-106.49	323.17	5.71	-100.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=CC=C1Cl	REAL300000328422	0	30	-2.0	-109.67	316.00	7.33	-102.34
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328423	0	30	-3.0	-171.04	312.11	6.03	-165.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=CC=C1Cl	REAL300000328424	0	25	-2.0	-98.27	301.01	5.56	-92.71
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328425	1	43	-2.0	-105.89	381.65	8.92	-96.97
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328426	1	33	-2.0	-102.89	316.45	6.67	-96.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=CC=C1Cl	REAL300000328427	0	28	-2.0	-105.73	290.08	5.54	-100.19
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328428	0	37	-2.0	-103.17	356.93	7.43	-95.74
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328428	1	36	-3.0	-159.93	350.22	7.56	-152.37
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328429	1	38	-2.0	-111.51	354.85	5.11	-106.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=CC=C1Cl	REAL300000328430	1	32	-2.0	-102.55	313.93	2.22	-100.33
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328431	1	32	-2.0	-104.52	318.38	6.43	-98.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=CC=C1Cl	REAL300000328432	1	33	-2.0	-103.51	320.20	3.85	-99.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=CC=C1Cl	REAL300000328433	1	36	-2.0	-104.42	338.00	4.59	-99.83
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1OCC	REAL300000328434	1	42	-2.0	-105.40	380.61	6.45	-98.95
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328436	0	27	-3.0	-168.69	299.82	4.98	-163.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=CC=C1Cl	REAL300000328437	1	31	-2.0	-102.21	309.92	2.91	-99.30
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328439	0	34	-2.0	-104.08	324.06	6.76	-97.32
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328439	1	33	-3.0	-173.84	322.07	6.76	-167.08
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328440	0	34	-2.0	-105.38	315.79	4.48	-100.90
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000328441	1	36	-2.0	-102.45	339.17	7.42	-95.03
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328442	1	34	-2.0	-101.88	332.95	6.07	-95.81
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328443	1	35	-2.0	-106.05	334.62	3.69	-102.36
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328444	1	33	-2.0	-105.41	332.38	0.37	-105.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)=CC=C1Cl	REAL300000328445	1	39	-2.0	-113.60	355.97	6.53	-107.07
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328446	0	37	-2.0	-118.14	350.35	7.07	-111.07
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328447	1	32	-2.0	-105.95	312.69	2.19	-103.76
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000328448	1	39	-2.0	-114.79	357.08	6.43	-108.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC=C1Cl	REAL300000328450	1	34	-2.0	-109.41	324.12	7.69	-101.72
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CS1	REAL300000328451	0	31	-2.0	-115.92	317.75	5.71	-110.21
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328452	1	38	-2.0	-105.48	354.75	5.92	-99.56
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328454	0	35	-2.0	-106.42	344.44	6.12	-100.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=CC=C1Cl	REAL300000328456	1	39	-2.0	-108.24	362.40	9.53	-98.71
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328457	1	40	-2.0	-106.28	359.38	8.09	-98.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=CC=C1Cl	REAL300000328458	1	28	-2.0	-99.78	284.59	5.48	-94.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC=C1Cl	REAL300000328459	0	28	-2.0	-111.08	283.67	5.47	-105.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=CC=C1Cl	REAL300000328460	1	33	-2.0	-102.84	320.56	5.91	-96.93
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328461	0	34	-2.0	-119.28	331.03	3.99	-115.29
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2N=C1	REAL300000328462	0	36	-2.0	-122.59	339.54	6.68	-115.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000328464	0	31	-2.0	-107.69	312.72	6.63	-101.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=CC=C1Cl	REAL300000328465	0	32	-2.0	-109.13	322.93	5.68	-103.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=CC=C1Cl	REAL300000328466	1	34	-2.0	-103.02	328.90	2.63	-100.39
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328467	1	33	-2.0	-111.46	332.35	0.37	-111.09
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000328468	1	36	-2.0	-103.69	341.47	5.86	-97.83
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000328469	0	34	-2.0	-115.12	326.18	6.08	-109.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)=CC=C1Cl	REAL300000328470	1	34	-2.0	-102.80	334.72	2.40	-100.40
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000328471	1	35	-2.0	-100.94	343.81	4.67	-96.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=CC=C1Cl	REAL300000328472	1	33	-2.0	-100.74	325.86	6.91	-93.83
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000328473	1	34	-2.0	-103.70	332.29	5.37	-98.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=CC=C1Cl	REAL300000328474	1	32	-2.0	-101.26	324.16	5.20	-96.06
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328475	1	34	-2.0	-108.94	338.89	2.93	-106.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=CC=C1Cl	REAL300000328477	1	38	-2.0	-109.71	348.04	9.28	-100.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=CC=C1Cl	REAL300000328478	0	28	-2.0	-100.32	297.70	6.04	-94.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=CC=C1Cl	REAL300000328479	0	40	-2.0	-113.37	364.10	4.74	-108.63
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000328480	0	35	-2.0	-118.60	339.74	4.36	-114.24
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328481	1	34	-2.0	-115.30	338.87	2.93	-112.37
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1OC	REAL300000328483	0	36	-2.0	-107.12	342.38	4.68	-102.44
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1OC	REAL300000328484	1	39	-2.0	-105.04	352.35	5.38	-99.66
CN1C=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000328485	0	32	-2.0	-118.40	319.93	5.19	-113.21
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000328485	1	31	-3.0	-173.48	313.28	5.32	-168.16
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000328486	0	28	-2.0	-113.12	295.64	4.97	-108.15
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000328487	0	33	-2.0	-104.71	320.12	1.56	-103.15
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328488	0	35	-2.0	-104.73	332.63	4.81	-99.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000328490	1	32	-2.0	-103.12	323.69	5.27	-97.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000328491	1	32	-2.0	-103.00	313.88	4.78	-98.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000328494	1	35	-2.0	-101.72	328.75	2.87	-98.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000328495	1	36	-2.0	-103.64	339.98	2.79	-100.85
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000328496	0	28	-2.0	-103.89	282.72	3.11	-100.78
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328497	0	33	-2.0	-95.17	321.88	6.85	-88.32
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN1C	REAL300000328499	0	36	-2.0	-105.23	342.06	3.05	-102.18
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328500	1	31	-2.0	-102.75	310.38	6.69	-96.06
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=N2)C=C1	REAL300000328502	0	38	-2.0	-105.03	360.14	7.19	-97.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)=CC=C1Cl	REAL300000328504	1	39	-2.0	-105.77	353.69	5.54	-100.23
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328506	0	30	-3.0	-164.33	315.76	5.65	-158.68
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000328507	1	29	-2.0	-96.50	314.38	6.21	-90.29
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000328508	1	29	-2.0	-97.29	314.42	6.21	-91.08
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000328509	0	37	-2.0	-103.39	340.67	7.27	-96.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=CC=C1Cl	REAL300000328510	1	32	-2.0	-111.26	316.53	5.78	-105.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=CC=CN=C12	REAL300000328511	1	37	-2.0	-108.91	343.48	5.20	-103.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000328512	1	31	-2.0	-103.98	313.64	6.52	-97.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=CC=C1Cl	REAL300000328513	0	28	-2.0	-108.33	299.85	5.97	-102.36
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328515	0	34	-2.0	-101.10	334.65	5.86	-95.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000328516	1	38	-2.0	-112.12	347.54	7.07	-105.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000328517	1	31	-2.0	-103.83	304.89	6.12	-97.71
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328518	1	31	-2.0	-100.09	310.39	6.68	-93.41
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328519	0	31	-2.0	-111.29	305.09	6.13	-105.16
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328520	1	31	-2.0	-102.78	300.06	6.24	-96.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=CC=C1Cl	REAL300000328521	1	34	-2.0	-105.07	338.23	7.47	-97.60
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328522	0	33	-2.0	-118.11	316.52	7.75	-110.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)=CC=C1Cl	REAL300000328523	0	36	-2.0	-107.97	343.49	4.66	-103.31
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328524	1	38	-2.0	-117.03	349.98	5.26	-111.77
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328526	0	36	-2.0	-122.71	339.44	6.69	-116.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CS1	REAL300000328529	0	27	-3.0	-170.68	298.29	5.00	-165.68
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CS1	REAL300000328529	1	28	-2.0	-104.12	300.76	5.00	-99.12
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000328530	0	31	-2.0	-108.48	320.54	7.30	-101.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=CC=C1Cl	REAL300000328531	0	30	-2.0	-95.90	319.53	6.64	-89.26
COC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000328532	0	35	-2.0	-116.31	340.64	5.90	-110.41
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=CC=CN=C2C=C1	REAL300000328533	1	36	-2.0	-107.61	328.14	6.78	-100.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=CC=C1Cl	REAL300000328534	0	25	-2.0	-103.53	290.48	4.96	-98.57
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1O	REAL300000328535	1	35	-2.0	-103.70	341.77	4.10	-99.60
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328536	1	41	-2.0	-114.07	381.89	5.20	-108.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=CC=C1Cl	REAL300000328537	0	30	-2.0	-111.79	305.65	6.89	-104.90
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328538	0	40	-2.0	-103.59	362.65	7.99	-95.60
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328538	1	39	-3.0	-176.80	360.54	7.98	-168.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1Cl	REAL300000328539	1	38	-2.0	-107.07	352.36	8.82	-98.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=CC=C1Cl	REAL300000328540	0	30	-2.0	-115.40	311.59	6.79	-108.61
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328541	0	37	-2.0	-116.28	359.12	3.87	-112.41
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328542	1	39	-2.0	-115.86	368.92	5.07	-110.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)=CC=C1Cl	REAL300000328545	1	39	-2.0	-116.40	366.22	5.38	-111.02
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328546	0	32	-2.0	-107.98	309.36	3.76	-104.22
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328546	1	32	-2.0	-98.61	298.39	4.65	-93.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2)=CC=C1Cl	REAL300000328547	0	25	-2.0	-101.27	259.75	1.80	-99.47
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328548	0	37	-2.0	-103.55	341.52	7.61	-95.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328548	1	36	-3.0	-172.27	336.78	7.69	-164.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=CC=C1Cl	REAL300000328549	0	31	-2.0	-110.32	317.69	6.31	-104.01
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328550	0	37	-3.0	-183.78	357.07	6.52	-177.26
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328550	1	38	-2.0	-105.05	344.13	6.32	-98.73
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000328551	0	33	-3.0	-177.86	337.52	6.54	-171.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000328551	1	32	-4.0	-259.23	335.05	6.53	-252.70
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328552	0	31	-2.0	-100.06	326.05	5.17	-94.89
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328553	0	38	-2.0	-105.68	351.94	7.88	-97.80
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328553	1	37	-3.0	-178.51	350.88	7.86	-170.65
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000328554	0	36	-2.0	-119.02	335.82	8.02	-111.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=CC=C1Cl	REAL300000328555	1	32	-2.0	-99.44	315.93	5.79	-93.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=CC=C1Cl	REAL300000328556	0	28	-2.0	-103.76	293.09	5.74	-98.02
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000328557	0	30	-3.0	-165.98	309.65	5.11	-160.87
CC1=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000328557	1	31	-2.0	-102.28	296.29	4.35	-97.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=CC=C1Cl	REAL300000328558	0	31	-2.0	-126.17	306.37	4.61	-121.56
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328559	0	34	-2.0	-111.01	338.44	6.12	-104.89
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328560	0	38	-2.0	-114.98	349.68	6.78	-108.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=CC=C1Cl	REAL300000328561	1	31	-2.0	-96.93	322.50	6.47	-90.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=CC=C1Cl	REAL300000328563	0	30	-2.0	-118.20	311.86	7.56	-110.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=CC=C1Cl	REAL300000328564	1	33	-2.0	-116.57	326.45	5.59	-110.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=CC=C1Cl	REAL300000328565	0	27	-2.0	-98.05	294.51	4.21	-93.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=CC=C1Cl	REAL300000328567	0	30	-2.0	-121.72	304.19	7.02	-114.70
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328568	0	34	-3.0	-178.32	335.62	5.05	-173.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328568	1	35	-2.0	-112.00	338.38	5.01	-106.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=CC=C1Cl	REAL300000328569	0	35	-2.0	-105.36	338.74	6.52	-98.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=CC=C1Cl	REAL300000328570	0	38	-2.0	-104.82	364.15	6.96	-97.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC=C1Cl	REAL300000328571	0	27	-2.0	-97.89	279.60	3.68	-94.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000328572	1	34	-2.0	-103.48	332.60	6.93	-96.55
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000328573	1	38	-2.0	-104.08	358.42	6.32	-97.76
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328574	0	31	-2.0	-105.17	326.22	5.06	-100.11
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328575	1	36	-2.0	-101.09	336.62	7.80	-93.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=CC=C1Cl	REAL300000328576	1	33	-2.0	-107.95	314.33	5.84	-102.11
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=CC=C1Cl	REAL300000328577	0	27	-2.0	-99.44	303.32	4.53	-94.91
CC1=CC(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1OCC(=O)[O-]	REAL300000328578	0	38	-2.0	-106.98	364.50	6.83	-100.15
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328579	0	28	-2.0	-116.09	282.35	4.50	-111.59
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C12	REAL300000328581	1	36	-2.0	-101.63	344.49	5.12	-96.51
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C12	REAL300000328582	0	32	-2.0	-97.72	317.93	2.38	-95.34
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000328583	0	28	-2.0	-96.26	294.13	3.93	-92.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=CC=C1Cl	REAL300000328584	1	37	-2.0	-107.71	359.73	8.25	-99.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=CC=C1Cl	REAL300000328585	0	28	-2.0	-109.34	289.96	5.53	-103.81
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000328586	0	32	-2.0	-109.15	316.17	4.98	-104.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=CC=C1Cl	REAL300000328587	0	30	-2.0	-111.90	315.98	7.35	-104.55
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328588	0	34	-2.0	-99.11	329.98	6.76	-92.35
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328588	1	33	-3.0	-164.35	327.34	6.78	-157.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=CC=C1Cl	REAL300000328589	0	34	-2.0	-112.17	321.31	5.04	-107.13
CC1=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN1C	REAL300000328590	0	31	-2.0	-115.44	301.71	4.30	-111.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=CC=C1Cl	REAL300000328591	0	32	-2.0	-108.81	316.19	5.46	-103.35
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328592	1	37	-2.0	-109.56	354.83	6.99	-102.57
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000328593	0	31	-2.0	-104.11	304.25	3.96	-100.15
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328594	1	40	-2.0	-101.16	376.31	7.79	-93.37
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328595	1	35	-2.0	-108.19	333.24	5.13	-103.06
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328596	0	34	-2.0	-113.62	329.80	6.87	-106.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=CC=C1Cl	REAL300000328597	0	31	-2.0	-104.89	322.42	6.46	-98.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)=CC=C1Cl	REAL300000328598	0	31	-2.0	-102.07	310.44	6.85	-95.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=CC=C1Cl	REAL300000328599	0	28	-2.0	-106.05	310.25	5.51	-100.54
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000328600	0	38	-2.0	-117.04	362.49	6.81	-110.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=CC=C1Cl	REAL300000328601	1	33	-2.0	-104.75	314.16	4.71	-100.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=CC=C1Cl	REAL300000328602	0	28	-2.0	-102.91	297.70	6.04	-96.87
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2)=CO1	REAL300000328603	1	37	-2.0	-109.38	354.57	4.48	-104.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=CC=C1Cl	REAL300000328606	1	32	-2.0	-100.38	322.47	2.26	-98.12
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328607	0	28	-2.0	-101.91	278.59	2.45	-99.46
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328608	1	32	-2.0	-108.51	307.68	4.71	-103.80
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328609	1	31	-2.0	-106.70	293.24	6.19	-100.51
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328610	0	34	-2.0	-110.17	339.50	3.64	-106.53
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328610	1	33	-3.0	-169.74	337.77	2.43	-167.31
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000328611	0	28	-2.0	-111.98	283.02	2.94	-109.04
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328612	0	28	-2.0	-98.94	278.41	3.03	-95.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000328618	0	31	-2.0	-110.73	305.09	6.14	-104.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000328619	1	31	-2.0	-100.24	304.91	6.10	-94.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC=N2)=CC=C1Cl	REAL300000328620	0	25	-2.0	-112.23	259.48	2.80	-109.43
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000328621	0	31	-2.0	-100.69	317.72	4.20	-96.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=CC=C1Cl	REAL300000328622	0	33	-2.0	-122.59	318.09	6.04	-116.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=CC=C1Cl	REAL300000328623	0	34	-2.0	-113.05	345.02	6.05	-107.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=CC=C1Cl	REAL300000328624	0	28	-2.0	-98.02	296.37	5.59	-92.43
CC1=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000328625	0	31	-2.0	-103.85	318.18	5.84	-98.01
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000328625	1	30	-3.0	-169.86	315.23	5.86	-164.00
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000328626	1	37	-2.0	-109.14	342.50	6.72	-102.42
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328627	0	32	-2.0	-108.25	320.78	5.27	-102.98
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000328628	0	30	-2.0	-98.46	308.82	4.63	-93.83
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328629	0	34	-2.0	-115.58	337.26	2.94	-112.64
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328631	1	37	-2.0	-113.56	355.14	6.86	-106.70
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000328633	1	39	-2.0	-127.34	356.99	6.43	-120.91
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328634	0	40	-2.0	-106.15	357.37	6.02	-100.13
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)SC=C1	REAL300000328635	0	28	-2.0	-107.31	288.94	5.04	-102.27
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000328636	0	37	-2.0	-105.51	337.61	5.35	-100.16
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000328637	1	37	-2.0	-102.18	348.97	6.60	-95.58
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000328638	0	33	-2.0	-96.17	322.39	6.59	-89.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=CC=C1Cl	REAL300000328641	1	36	-2.0	-117.88	337.75	3.86	-114.02
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328642	1	32	-2.0	-102.53	314.44	6.58	-95.95
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000328643	1	35	-2.0	-114.39	339.38	4.42	-109.97
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000328644	0	33	-2.0	-103.95	330.55	6.77	-97.18
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328645	1	40	-2.0	-106.23	331.58	8.29	-97.94
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000328646	1	38	-2.0	-124.60	352.79	5.21	-119.39
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328647	0	32	-2.0	-108.13	315.85	5.87	-102.26
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328648	1	32	-2.0	-99.08	314.42	6.57	-92.51
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328649	1	40	-2.0	-108.61	342.94	8.64	-99.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=CC=C1Cl	REAL300000328651	1	37	-2.0	-113.18	346.87	5.48	-107.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1OC	REAL300000328652	1	38	-2.0	-105.08	360.25	6.11	-98.97
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000328653	0	29	-2.0	-102.47	304.47	5.86	-96.61
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2O1	REAL300000328654	1	33	-2.0	-104.69	321.82	3.07	-101.62
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000328655	0	34	-2.0	-104.02	322.93	4.49	-99.53
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328656	0	33	-2.0	-112.05	316.00	1.89	-110.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=CC=C1Cl	REAL300000328657	1	33	-2.0	-107.31	319.14	5.80	-101.51
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000328658	0	34	-2.0	-108.98	337.53	4.17	-104.81
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN1	REAL300000328659	0	34	-2.0	-114.85	322.14	3.84	-111.01
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000328660	0	31	-2.0	-109.88	317.46	7.18	-102.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=N1	REAL300000328663	0	37	-2.0	-108.63	352.73	6.63	-102.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=CC=C1Cl	REAL300000328665	1	28	-2.0	-92.38	297.17	5.59	-86.79
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328666	1	39	-2.0	-104.16	360.62	7.24	-96.92
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN1C	REAL300000328668	0	35	-2.0	-109.44	339.34	5.50	-103.94
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328669	1	43	-2.0	-106.13	368.62	8.20	-97.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000328670	0	30	-3.0	-159.72	319.69	6.53	-153.19
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000328670	1	31	-2.0	-90.48	320.19	6.09	-84.39
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000328671	0	31	-2.0	-101.19	317.63	5.88	-95.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000328671	1	30	-3.0	-160.57	311.16	6.01	-154.56
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328672	1	36	-2.0	-99.39	344.65	4.81	-94.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=CC=C1Cl	REAL300000328673	0	35	-2.0	-108.53	343.13	6.68	-101.85
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328674	1	38	-2.0	-114.70	345.82	5.65	-109.05
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(C)=C1F	REAL300000328675	1	34	-2.0	-101.02	325.21	6.75	-94.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328676	0	27	-3.0	-162.94	298.91	5.10	-157.84
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328677	0	37	-2.0	-116.07	342.88	6.66	-109.41
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328678	0	31	-2.0	-100.08	315.51	6.04	-94.04
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328678	1	30	-3.0	-165.87	313.04	6.03	-159.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1F	REAL300000328679	0	33	-3.0	-172.67	332.41	6.67	-166.00
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328680	1	42	-2.0	-103.48	370.99	7.46	-96.02
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN1	REAL300000328681	0	32	-2.0	-106.96	321.57	3.75	-103.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000328682	0	30	-3.0	-161.52	312.10	6.04	-155.48
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000328682	1	31	-2.0	-100.72	305.27	5.60	-95.12
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000328683	0	31	-2.0	-98.64	325.60	6.24	-92.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000328683	1	30	-3.0	-158.93	319.13	6.37	-152.56
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328684	1	31	-2.0	-102.98	298.98	6.21	-96.77
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000328685	1	37	-2.0	-104.02	348.99	6.59	-97.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CS1	REAL300000328686	0	31	-2.0	-105.59	325.45	5.08	-100.51
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000328687	1	34	-2.0	-99.55	337.52	6.08	-93.47
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328688	0	30	-2.0	-103.42	304.69	3.90	-99.52
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328689	1	32	-2.0	-113.47	320.43	6.58	-106.89
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328690	1	36	-2.0	-95.62	336.53	7.75	-87.87
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000328691	1	36	-2.0	-105.16	347.11	2.19	-102.97
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328694	1	34	-2.0	-102.14	332.39	7.17	-94.97
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328695	1	34	-2.0	-107.69	321.06	6.84	-100.85
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328696	1	31	-2.0	-103.49	306.00	6.14	-97.35
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328698	0	34	-2.0	-101.75	336.06	4.86	-96.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=CC=C1Cl	REAL300000328699	1	34	-2.0	-103.00	329.55	4.46	-98.54
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000328700	0	31	-2.0	-104.28	319.93	6.06	-98.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000328700	1	30	-3.0	-163.50	317.46	6.06	-157.44
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328701	0	38	-2.0	-114.96	361.11	5.86	-109.10
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328702	1	40	-2.0	-109.42	365.64	7.40	-102.02
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000328704	0	31	-2.0	-103.03	310.39	6.17	-96.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=CC=C1Cl	REAL300000328705	0	34	-2.0	-114.46	329.95	8.46	-106.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=CC=C1Cl	REAL300000328706	1	34	-2.0	-114.79	319.22	7.72	-107.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=CC=C1Cl	REAL300000328707	0	30	-2.0	-104.24	310.17	4.89	-99.35
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328708	0	31	-3.0	-171.80	316.35	3.68	-168.12
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328708	1	31	-3.0	-171.78	305.37	4.56	-167.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=CC=C1Cl	REAL300000328709	1	38	-2.0	-110.13	333.48	8.04	-102.09
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328710	0	34	-2.0	-102.91	335.53	6.62	-96.29
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328710	1	33	-3.0	-164.13	328.82	6.75	-157.38
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000328711	0	34	-2.0	-100.87	339.58	5.12	-95.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=CC=C1Cl	REAL300000328712	0	30	-2.0	-96.19	312.79	6.15	-90.04
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328713	0	33	-2.0	-114.82	331.73	6.36	-108.46
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000328714	1	40	-2.0	-105.77	368.90	6.94	-98.83
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328715	0	31	-2.0	-116.07	320.91	6.10	-109.97
COC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)SC=C1	REAL300000328716	0	29	-2.0	-113.39	300.34	3.69	-109.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300000328717	0	34	-2.0	-104.61	331.92	6.69	-97.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CC=C1Cl	REAL300000328718	0	31	-2.0	-108.55	307.93	5.80	-102.75
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000328719	0	36	-2.0	-124.43	339.68	6.64	-117.79
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000328720	1	39	-2.0	-102.47	361.48	4.90	-97.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=CC=C1Cl	REAL300000328721	1	34	-2.0	-106.55	333.59	8.14	-98.41
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)SC2=CC=CC(F)=C12	REAL300000328722	0	34	-2.0	-109.76	338.14	7.44	-102.32
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1F	REAL300000328723	0	33	-2.0	-103.98	332.22	6.78	-97.20
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328724	0	30	-2.0	-111.52	311.42	4.15	-107.37
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328726	0	28	-2.0	-97.10	294.20	4.32	-92.78
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)N=C1Cl	REAL300000328727	0	28	-2.0	-112.20	298.52	4.22	-107.98
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328728	1	36	-2.0	-109.42	337.16	4.01	-105.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=CC=C1Cl	REAL300000328729	0	29	-2.0	-111.98	294.01	4.14	-107.84
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000328730	0	36	-2.0	-120.74	329.26	8.20	-112.54
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328731	0	29	-2.0	-97.62	300.39	3.24	-94.38
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328732	0	27	-2.0	-102.70	286.70	3.24	-99.46
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328733	1	33	-2.0	-96.46	325.97	6.89	-89.57
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328734	0	34	-2.0	-108.18	318.08	6.62	-101.56
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328734	1	33	-3.0	-174.42	316.71	6.60	-167.82
CC1=CC(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000328736	0	34	-2.0	-107.65	333.94	6.62	-101.03
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000328736	1	33	-3.0	-173.91	331.49	6.62	-167.29
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328737	0	34	-2.0	-103.88	323.91	6.76	-97.12
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328738	0	34	-2.0	-115.04	337.09	6.50	-108.54
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000328739	0	29	-2.0	-103.14	307.47	6.09	-97.05
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000328740	0	31	-2.0	-105.60	310.36	6.18	-99.42
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000328741	0	34	-2.0	-96.29	333.70	6.14	-90.15
CC1=CC(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000328742	0	37	-2.0	-108.56	341.99	7.03	-101.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=CC=C1Cl	REAL300000328743	1	34	-2.0	-115.96	335.91	8.23	-107.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=CC=C1Cl	REAL300000328744	0	31	-2.0	-103.37	323.51	6.90	-96.47
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328747	0	30	-3.0	-162.80	318.39	6.09	-156.71
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1F	REAL300000328748	1	33	-2.0	-97.16	331.24	6.73	-90.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=CC=C1Cl	REAL300000328749	0	27	-2.0	-104.15	297.18	4.84	-99.31
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328750	0	34	-2.0	-115.16	323.78	5.79	-109.37
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000328751	0	33	-2.0	-98.47	328.92	4.23	-94.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=CC=C1Cl	REAL300000328752	0	27	-2.0	-96.19	303.61	4.58	-91.61
CC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000328753	0	37	-2.0	-113.37	342.42	7.37	-106.00
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000328754	0	33	-3.0	-173.52	331.95	6.66	-166.86
CC1=CC(F)=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000328754	1	34	-2.0	-97.05	330.66	6.53	-90.52
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328755	0	33	-3.0	-183.80	331.67	6.66	-177.14
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328756	1	36	-2.0	-116.36	341.25	6.68	-109.68
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000328757	0	35	-2.0	-102.24	337.93	3.01	-99.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300000328758	0	33	-2.0	-112.80	328.49	6.24	-106.56
CCC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000328759	0	37	-2.0	-104.90	343.04	7.16	-97.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=CC=C1Cl	REAL300000328760	0	39	-2.0	-103.89	355.33	3.94	-99.95
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C#N	REAL300000328763	0	32	-2.0	-115.55	315.43	6.19	-109.36
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328764	0	34	-2.0	-98.07	328.94	5.92	-92.15
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328765	0	37	-2.0	-106.17	351.16	7.05	-99.12
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328766	0	34	-2.0	-115.06	325.66	6.15	-108.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=CC=C1Cl	REAL300000328767	0	36	-2.0	-102.43	336.23	3.16	-99.27
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1F	REAL300000328769	0	31	-2.0	-112.06	303.97	6.12	-105.94
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000328770	0	34	-2.0	-100.19	327.22	3.02	-97.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=CC=C1Cl	REAL300000328771	0	35	-2.0	-116.14	323.96	5.44	-110.70
COC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1CC(=O)[O-]	REAL300000328772	0	38	-2.0	-120.13	363.58	5.97	-114.16
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328773	1	35	-2.0	-107.14	333.25	5.14	-102.00
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328774	0	33	-2.0	-108.33	317.44	2.39	-105.94
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000328775	0	31	-2.0	-108.79	310.06	6.55	-102.24
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C(C)O1	REAL300000328777	0	31	-2.0	-103.99	301.13	4.98	-99.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)=CC=C1Cl	REAL300000328778	0	34	-2.0	-112.31	324.43	3.07	-109.24
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328780	1	35	-2.0	-105.43	324.77	5.44	-99.99
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C(C(=O)OC)O1	REAL300000328781	0	37	-2.0	-100.05	355.17	5.82	-94.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000328783	0	28	-2.0	-105.88	282.77	4.22	-101.66
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328784	0	31	-2.0	-106.63	311.14	5.79	-100.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=CC=C1Cl	REAL300000328785	1	31	-2.0	-103.54	304.23	4.07	-99.47
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000328786	0	36	-2.0	-122.63	331.80	7.16	-115.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=CC=C1Cl	REAL300000328787	0	34	-2.0	-114.31	327.46	7.41	-106.90
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328788	0	34	-2.0	-110.51	329.81	6.87	-103.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000328789	0	30	-2.0	-94.01	310.92	6.09	-87.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=CC=C1Cl	REAL300000328790	1	28	-2.0	-98.05	301.31	6.00	-92.05
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C(C)O1	REAL300000328791	0	34	-2.0	-100.27	336.01	4.97	-95.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=CC=C1Cl	REAL300000328792	0	27	-2.0	-98.08	289.94	4.10	-93.98
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)N=C1C	REAL300000328793	0	34	-2.0	-117.34	323.95	5.18	-112.16
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328794	0	31	-2.0	-108.13	312.72	6.63	-101.50
CCN1C=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000328795	0	35	-2.0	-119.56	341.29	6.04	-113.52
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000328795	1	34	-3.0	-174.91	334.66	6.18	-168.73
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328796	0	31	-2.0	-104.83	318.06	4.15	-100.68
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328797	0	40	-2.0	-106.97	354.31	5.98	-100.99
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN1C	REAL300000328798	0	38	-2.0	-109.03	361.20	6.43	-102.60
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328799	1	36	-2.0	-101.96	340.20	7.47	-94.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=CC=C1Cl	REAL300000328800	0	28	-2.0	-110.85	294.23	6.19	-104.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000328801	0	30	-2.0	-106.11	308.07	4.72	-101.39
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328802	0	33	-2.0	-105.15	327.22	5.60	-99.55
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000328803	1	32	-2.0	-102.96	333.38	6.88	-96.08
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328804	0	30	-2.0	-102.28	308.19	3.99	-98.29
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C12	REAL300000328805	0	35	-2.0	-97.04	339.41	3.12	-93.92
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328806	0	30	-2.0	-101.08	317.46	5.78	-95.30
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000328808	0	31	-2.0	-96.64	319.02	3.37	-93.27
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000328809	1	37	-2.0	-103.57	354.10	6.37	-97.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=CC=C1Cl	REAL300000328810	0	30	-2.0	-96.34	312.89	4.63	-91.71
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328811	1	34	-2.0	-103.19	339.36	6.13	-97.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=CC=C1Cl	REAL300000328812	0	31	-2.0	-104.82	324.78	2.51	-102.31
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328813	0	43	-2.0	-105.87	370.99	6.42	-99.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=C1F	REAL300000328814	1	35	-2.0	-102.86	328.26	5.52	-97.34
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000328815	0	29	-2.0	-99.82	312.06	6.36	-93.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CC=C1Cl	REAL300000328816	0	31	-2.0	-115.25	306.11	5.72	-109.53
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328817	0	33	-2.0	-102.94	328.15	4.26	-98.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=CC=C1Cl	REAL300000328818	0	25	-2.0	-100.37	282.56	4.13	-96.24
CC1=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300000328819	0	37	-2.0	-117.73	354.22	4.38	-113.35
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000328820	1	36	-2.0	-103.76	337.49	7.37	-96.39
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328821	0	38	-2.0	-113.63	341.76	7.17	-106.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=CC=C1Cl	REAL300000328822	0	28	-2.0	-103.15	299.25	5.81	-97.34
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328826	1	40	-2.0	-108.44	370.25	7.76	-100.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=CC=C1Cl	REAL300000328827	0	28	-2.0	-99.58	313.35	6.52	-93.06
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328828	0	28	-2.0	-99.89	307.15	5.63	-94.26
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000328829	0	38	-2.0	-107.81	361.16	5.86	-101.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=CC=C1Cl	REAL300000328830	1	31	-2.0	-106.78	310.36	6.28	-100.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=CC=C1Cl	REAL300000328831	0	31	-2.0	-101.94	322.42	6.46	-95.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=CC=C1Cl	REAL300000328832	0	31	-2.0	-103.43	316.10	4.29	-99.14
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328833	1	32	-2.0	-112.90	314.26	6.47	-106.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=CC=C1Cl	REAL300000328834	1	31	-2.0	-107.61	323.53	2.64	-104.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=CC=C1Cl	REAL300000328836	0	36	-2.0	-101.51	347.62	6.68	-94.83
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328837	1	37	-2.0	-108.94	332.19	7.40	-101.54
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000328838	0	34	-2.0	-116.26	333.39	6.58	-109.68
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000328839	1	32	-2.0	-99.66	313.91	4.78	-94.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=CC=C1Cl	REAL300000328840	0	27	-2.0	-113.25	290.87	5.81	-107.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CO2)=CC=C1Cl	REAL300000328841	0	25	-2.0	-104.75	260.86	3.40	-101.35
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328842	0	27	-2.0	-94.52	272.64	1.81	-92.71
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=CN=C21	REAL300000328843	1	33	-2.0	-101.73	322.54	4.54	-97.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=CC=C1Cl	REAL300000328844	0	27	-2.0	-97.78	299.34	5.17	-92.61
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328846	1	36	-2.0	-107.48	345.38	3.63	-103.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CC=C1Cl	REAL300000328847	0	32	-2.0	-108.36	306.16	4.84	-103.52
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328848	0	29	-2.0	-102.77	312.09	6.36	-96.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=CC=C1Cl	REAL300000328849	0	31	-2.0	-104.84	322.13	4.47	-100.37
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328850	1	34	-2.0	-104.79	308.38	7.13	-97.66
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328851	0	36	-2.0	-119.85	332.15	5.91	-113.94
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328853	0	31	-2.0	-110.81	297.77	6.37	-104.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=CC=C1Cl	REAL300000328854	0	32	-2.0	-120.07	316.56	5.49	-114.58
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328855	0	41	-2.0	-105.63	368.37	6.87	-98.76
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C12	REAL300000328856	0	36	-2.0	-122.59	336.06	6.58	-116.01
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328858	1	32	-2.0	-109.57	329.42	2.70	-106.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=CC=C1Cl	REAL300000328859	0	29	-2.0	-113.58	302.95	3.71	-109.87
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328860	0	31	-2.0	-103.36	302.77	2.88	-100.48
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1OC	REAL300000328861	0	38	-2.0	-102.85	360.26	6.12	-96.73
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1)OCO2	REAL300000328863	1	34	-2.0	-103.24	319.26	4.86	-98.38
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328865	0	34	-2.0	-104.65	328.56	6.68	-97.97
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328866	1	38	-2.0	-105.34	349.79	5.24	-100.10
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328867	0	37	-2.0	-120.09	345.28	7.73	-112.36
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328869	0	31	-2.0	-109.95	322.83	2.91	-107.04
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328869	1	30	-3.0	-168.21	319.83	1.77	-166.44
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000328870	1	35	-2.0	-106.03	339.38	4.42	-101.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=CC=C1Cl	REAL300000328871	1	32	-2.0	-102.39	323.64	5.05	-97.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=CC=C1Cl	REAL300000328872	1	31	-2.0	-96.32	322.51	6.46	-89.86
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000328873	0	33	-2.0	-106.59	334.97	1.02	-105.57
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328874	1	32	-2.0	-113.59	311.02	6.67	-106.92
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328875	1	32	-2.0	-110.78	320.42	6.57	-104.21
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=CC=C1Cl	REAL300000328876	0	28	-2.0	-100.85	308.03	6.48	-94.37
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(N)=NO1	REAL300000328878	0	29	-2.0	-97.10	284.61	2.80	-94.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=CC=C1Cl	REAL300000328879	0	28	-2.0	-99.25	308.19	6.79	-92.46
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328880	0	32	-2.0	-109.12	323.16	5.71	-103.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=CC=C1Cl	REAL300000328881	0	29	-2.0	-101.92	305.67	4.18	-97.74
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328884	1	35	-2.0	-107.95	323.14	5.48	-102.47
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328887	0	26	-2.0	-97.51	290.67	4.96	-92.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000328888	0	30	-2.0	-103.88	294.78	4.23	-99.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=CC=C1Cl	REAL300000328889	0	33	-2.0	-106.57	319.36	5.77	-100.80
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000328890	0	34	-2.0	-105.58	338.42	6.13	-99.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000328891	0	34	-2.0	-100.88	337.50	6.09	-94.79
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C#N	REAL300000328892	1	32	-2.0	-99.20	318.14	6.30	-92.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=CC=C1Cl	REAL300000328893	0	27	-2.0	-92.97	295.91	4.09	-88.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000328895	0	32	-2.0	-108.43	313.16	4.77	-103.66
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1[N+](=O)[O-]	REAL300000328896	0	36	-2.0	-118.18	338.96	8.59	-109.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=CC=C1Cl	REAL300000328897	1	34	-2.0	-107.55	339.15	7.19	-100.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=CC=C1Cl	REAL300000328899	1	31	-2.0	-104.77	312.36	6.34	-98.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=CC=C1Cl	REAL300000328900	1	38	-2.0	-110.99	352.37	8.82	-102.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000328902	0	31	-2.0	-99.83	295.05	3.87	-95.96
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000328904	0	26	-2.0	-98.42	282.10	3.95	-94.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2)=CC=C1Cl	REAL300000328905	0	25	-2.0	-102.84	269.28	4.31	-98.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC=C2)=CC=C1Cl	REAL300000328906	0	25	-2.0	-103.27	260.71	3.29	-99.98
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328907	0	39	-2.0	-115.39	361.50	4.91	-110.48
CC1=CC(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000328908	0	34	-2.0	-102.76	325.11	6.52	-96.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000328909	0	31	-2.0	-100.17	305.37	2.09	-98.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=CC=C1Cl	REAL300000328910	0	28	-2.0	-105.79	300.40	5.99	-99.80
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328912	0	39	-2.0	-104.60	355.71	6.56	-98.04
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328913	0	37	-2.0	-108.44	355.70	8.18	-100.26
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328914	0	37	-2.0	-107.99	351.53	7.89	-100.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=CC=C1Cl	REAL300000328915	0	31	-2.0	-108.14	314.72	6.76	-101.38
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328916	1	40	-2.0	-111.87	376.99	7.77	-104.10
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000328917	0	37	-2.0	-106.83	349.27	5.41	-101.42
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000328918	1	40	-2.0	-104.31	370.88	7.52	-96.79
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2O1	REAL300000328919	0	39	-2.0	-118.67	356.04	6.61	-112.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=CC=C1Cl	REAL300000328920	0	31	-2.0	-110.80	304.78	4.04	-106.76
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328921	1	34	-2.0	-98.65	332.39	7.17	-91.48
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328922	1	35	-2.0	-108.66	329.52	5.63	-103.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=CC=C1Cl	REAL300000328923	0	28	-2.0	-107.24	300.51	6.27	-100.97
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328924	1	34	-2.0	-130.27	322.57	3.00	-127.27
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000328925	1	37	-2.0	-109.15	345.46	8.34	-100.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=CC=C1Cl	REAL300000328926	0	25	-2.0	-104.36	286.15	4.86	-99.50
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328927	0	28	-2.0	-104.90	291.74	5.07	-99.83
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328928	1	41	-2.0	-110.68	374.19	5.76	-104.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC=C1Cl	REAL300000328929	0	25	-2.0	-102.64	276.46	2.21	-100.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=CC=C1Cl	REAL300000328930	0	33	-2.0	-114.03	332.69	6.47	-107.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=CC=C1Cl	REAL300000328931	0	27	-2.0	-101.72	285.09	3.52	-98.20
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328932	0	37	-2.0	-101.29	342.72	4.46	-96.83
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000328933	0	37	-2.0	-100.69	347.35	3.95	-96.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=CC=C1Cl	REAL300000328936	0	31	-2.0	-102.79	314.36	5.87	-96.92
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328937	0	33	-2.0	-115.23	325.18	4.38	-110.85
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328938	0	27	-2.0	-99.33	286.67	3.70	-95.63
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=CC=C1Cl	REAL300000328940	0	32	-2.0	-91.13	315.72	4.99	-86.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=CC=C1Cl	REAL300000328940	1	32	-2.0	-102.37	327.00	4.10	-98.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=CC=C1Cl	REAL300000328941	0	34	-2.0	-101.26	334.11	6.80	-94.46
O=C([O-])C1=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=CC=C1Cl	REAL300000328942	1	32	-2.0	-130.94	309.35	2.67	-128.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=CC=C1Cl	REAL300000328943	1	35	-2.0	-106.25	327.40	7.51	-98.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC=C1Cl	REAL300000328944	0	25	-2.0	-106.26	276.45	4.45	-101.81
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000328945	1	37	-2.0	-102.84	349.24	5.14	-97.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=CC=C1Cl	REAL300000328946	0	34	-2.0	-119.06	339.00	3.83	-115.23
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000328947	0	31	-2.0	-106.66	316.81	4.26	-102.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=CC=C1Cl	REAL300000328948	1	37	-2.0	-105.70	343.01	7.00	-98.70
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000328949	1	29	-2.0	-96.61	304.88	5.84	-90.77
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000328952	0	33	-2.0	-98.97	330.53	6.77	-92.20
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328953	0	34	-2.0	-105.58	328.39	6.80	-98.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=CC=C1Cl	REAL300000328954	0	29	-2.0	-105.14	311.06	4.70	-100.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=CC=C1Cl	REAL300000328957	0	28	-2.0	-97.75	310.74	5.60	-92.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NC=CN2)=CC=C1Cl	REAL300000328958	0	25	-2.0	-106.84	259.80	1.98	-104.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=CC=C1Cl	REAL300000328959	0	33	-2.0	-111.19	315.17	2.31	-108.88
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328960	0	31	-2.0	-108.20	309.62	5.94	-102.26
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN=C1C	REAL300000328961	0	36	-2.0	-98.91	344.41	4.74	-94.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=CC=C1Cl	REAL300000328962	0	29	-2.0	-96.05	301.57	4.26	-91.79
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328963	0	30	-2.0	-97.49	305.73	4.79	-92.70
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000328964	1	34	-2.0	-99.41	332.60	6.92	-92.49
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328965	1	37	-2.0	-112.11	355.12	6.84	-105.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=CC=C1Cl	REAL300000328966	1	30	-2.0	-96.94	317.93	5.27	-91.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=NN1C	REAL300000328970	0	31	-2.0	-104.10	298.81	3.63	-100.47
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000328971	1	32	-2.0	-106.76	309.26	6.49	-100.27
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328972	1	41	-2.0	-118.04	372.13	6.27	-111.77
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328973	0	31	-2.0	-104.77	301.56	3.76	-101.01
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328974	1	35	-2.0	-103.64	349.97	5.64	-98.00
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000328975	0	28	-2.0	-97.44	294.05	4.00	-93.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=CC=C1Cl	REAL300000328977	1	33	-2.0	-104.06	324.61	2.60	-101.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=CC=C1Cl	REAL300000328979	0	28	-2.0	-103.83	293.85	2.94	-100.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=CC=C1Cl	REAL300000328980	0	34	-2.0	-103.62	328.82	5.13	-98.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=CC=C1Cl	REAL300000328982	0	36	-2.0	-97.42	349.32	3.97	-93.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=CC=C1Cl	REAL300000328983	1	35	-2.0	-111.78	334.17	5.16	-106.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=CC=C1Cl	REAL300000328984	0	31	-2.0	-102.44	315.41	2.97	-99.47
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000328985	1	32	-2.0	-100.25	323.72	5.27	-94.98
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000328986	0	32	-2.0	-114.25	329.77	2.05	-112.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000328987	0	30	-3.0	-183.04	310.30	6.00	-177.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=CC=C1Cl	REAL300000328988	0	25	-2.0	-109.74	277.54	3.40	-106.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=CC=C1Cl	REAL300000328989	0	30	-2.0	-117.13	309.37	4.83	-112.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=CC=C1Cl	REAL300000328990	1	33	-2.0	-108.89	313.98	5.25	-103.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=CC=C1Cl	REAL300000328992	0	34	-2.0	-114.58	328.69	7.71	-106.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=CC=C1Cl	REAL300000328993	0	31	-2.0	-110.57	318.31	4.48	-106.09
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000328995	0	31	-2.0	-107.78	305.30	6.91	-100.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=CC=C1Cl	REAL300000328996	0	32	-2.0	-103.84	322.59	5.52	-98.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CC=C1Cl	REAL300000328997	0	33	-2.0	-116.25	314.48	5.22	-111.03
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=CC=CC(C)=C2S1	REAL300000328998	0	37	-2.0	-109.10	349.37	8.43	-100.67
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000329004	0	31	-2.0	-112.79	308.08	6.35	-106.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=CC=C1Cl	REAL300000329005	0	27	-2.0	-99.07	303.22	4.60	-94.47
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1Br	REAL300000329006	0	28	-2.0	-100.79	301.74	3.55	-97.24
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000329007	1	33	-2.0	-105.91	322.03	3.85	-102.06
CS(=O)(=NS(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000329008	1	35	-2.0	-127.20	340.35	4.12	-123.08
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000329009	0	34	-2.0	-103.54	334.05	6.65	-96.89
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000329009	1	33	-3.0	-168.27	331.58	6.64	-161.63
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329011	0	32	-2.0	-109.21	312.84	5.25	-103.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=CC=C1Cl	REAL300000329012	1	31	-2.0	-96.95	317.75	4.51	-92.44
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000329013	1	36	-2.0	-104.83	340.58	7.23	-97.60
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329014	0	44	-2.0	-114.76	382.58	7.52	-107.24
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000329016	0	31	-2.0	-97.23	321.43	2.63	-94.60
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329017	0	27	-2.0	-97.49	276.93	3.31	-94.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=CC=C1Cl	REAL300000329018	1	32	-2.0	-100.86	327.92	3.56	-97.30
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000329019	1	31	-2.0	-101.18	313.65	6.50	-94.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CC=C1Cl	REAL300000329020	1	34	-2.0	-115.13	326.29	6.39	-108.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C([N+](=O)[O-])S1	REAL300000329021	0	30	-2.0	-113.17	312.76	6.60	-106.57
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329022	1	33	-2.0	-120.01	319.63	1.44	-118.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=CC=C1Cl	REAL300000329023	1	31	-2.0	-101.19	320.18	3.59	-97.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC=C1Cl	REAL300000329024	0	27	-2.0	-109.09	278.68	3.58	-105.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC=C1Cl	REAL300000329027	0	27	-2.0	-96.98	279.60	3.56	-93.42
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CS1	REAL300000329029	0	26	-2.0	-109.99	288.58	4.81	-105.18
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329030	0	35	-2.0	-110.61	345.94	7.15	-103.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=CC=C1Cl	REAL300000329033	1	28	-2.0	-97.74	300.78	5.98	-91.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=CC=C1Cl	REAL300000329034	0	37	-2.0	-113.96	339.86	5.76	-108.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=CC=C1Cl	REAL300000329035	0	36	-2.0	-115.49	330.37	6.60	-108.89
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329036	0	38	-2.0	-106.80	351.64	4.37	-102.43
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329042	1	35	-2.0	-116.60	334.11	2.85	-113.75
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(=O)NC1=O	REAL300000329043	1	31	-2.0	-110.65	306.58	2.10	-108.55
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000329045	0	34	-2.0	-106.45	327.41	4.48	-101.97
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000329046	1	39	-2.0	-108.44	362.88	4.49	-103.95
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)N1C	REAL300000329049	0	31	-2.0	-103.92	297.35	4.45	-99.47
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329050	1	41	-2.0	-109.19	368.20	7.07	-102.12
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000329053	0	33	-2.0	-110.85	325.97	7.52	-103.33
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN1CC1CC1	REAL300000329054	0	41	-2.0	-115.43	376.88	7.36	-108.07
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000329055	0	34	-2.0	-101.33	335.61	4.78	-96.55
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2C1	REAL300000329056	1	39	-2.0	-112.39	363.16	5.97	-106.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=CC=C1Cl	REAL300000329057	0	31	-2.0	-103.22	317.92	4.91	-98.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=C1[N+](=O)[O-]	REAL300000329058	1	36	-2.0	-102.68	342.24	7.72	-94.96
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329059	0	31	-2.0	-93.72	319.78	4.02	-89.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=CC=C1Cl	REAL300000329060	0	27	-2.0	-102.25	295.55	4.00	-98.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=CC=C1Cl	REAL300000329061	1	38	-2.0	-117.55	344.27	8.80	-108.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(F)=C1F	REAL300000329063	0	31	-2.0	-109.42	310.30	6.18	-103.24
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)OC=C1	REAL300000329064	0	31	-2.0	-112.82	311.55	4.78	-108.04
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000329066	0	30	-2.0	-117.75	305.26	4.39	-113.36
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=N1	REAL300000329067	0	40	-2.0	-104.45	366.08	6.17	-98.28
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329068	0	29	-3.0	-169.32	303.62	4.02	-165.30
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329069	0	32	-2.0	-104.97	310.90	5.55	-99.42
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000329071	1	40	-2.0	-103.51	356.39	7.66	-95.85
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329072	1	29	-2.0	-97.68	305.41	5.87	-91.81
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000329073	0	31	-2.0	-101.33	311.30	4.03	-97.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=CC=C1Cl	REAL300000329074	0	30	-2.0	-117.52	301.34	4.59	-112.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=CC=C1Cl	REAL300000329074	1	30	-2.0	-105.43	301.45	4.45	-100.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=CC=C1Cl	REAL300000329075	0	32	-2.0	-113.87	311.91	5.37	-108.50
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329076	0	38	-2.0	-103.39	339.15	5.53	-97.86
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300000329077	0	40	-2.0	-103.88	346.59	6.02	-97.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=CC=C1Cl	REAL300000329079	0	38	-2.0	-103.78	345.60	5.75	-98.03
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329080	0	31	-2.0	-97.98	312.49	4.30	-93.68
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(Br)=N1	REAL300000329081	0	28	-2.0	-104.95	303.41	3.61	-101.34
CS(=O)(=NS(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1)C1CCCCC1	REAL300000329084	1	41	-2.0	-128.68	365.82	4.80	-123.88
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=CC=C1Cl	REAL300000329085	0	29	-2.0	-92.18	283.37	4.05	-88.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=CC=C1Cl	REAL300000329085	1	29	-2.0	-103.20	294.36	3.17	-100.03
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000329086	1	38	-2.0	-105.95	355.39	8.19	-97.76
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329087	0	31	-2.0	-119.01	309.17	3.07	-115.94
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329088	0	34	-2.0	-104.44	321.03	4.56	-99.88
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000329089	1	33	-2.0	-106.05	325.48	5.97	-100.08
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000329090	0	28	-2.0	-99.48	283.39	2.75	-96.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C#N)=C1	REAL300000329091	0	32	-2.0	-113.45	317.68	6.34	-107.11
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329092	0	32	-2.0	-113.31	309.93	6.64	-106.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=CC=C1Cl	REAL300000329093	1	31	-2.0	-100.69	314.85	6.30	-94.39
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000329096	1	35	-2.0	-109.89	341.94	7.37	-102.52
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329098	0	28	-2.0	-96.57	297.42	1.20	-95.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC=C1Cl	REAL300000329100	0	24	-2.0	-98.90	264.91	3.11	-95.79
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329103	0	34	-3.0	-166.08	334.84	5.76	-160.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329103	1	35	-2.0	-102.10	321.79	5.55	-96.55
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C(C(N)=O)O1	REAL300000329104	0	32	-2.0	-103.78	317.68	1.01	-102.77
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329105	1	37	-2.0	-105.28	329.90	7.91	-97.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=CC=C1Cl	REAL300000329106	0	28	-2.0	-101.38	298.41	5.32	-96.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C(Cl)O1	REAL300000329108	0	27	-3.0	-160.54	306.78	4.94	-155.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=CC=C1Cl	REAL300000329109	1	33	-2.0	-115.54	314.42	5.90	-109.64
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329110	0	35	-2.0	-107.25	338.60	5.66	-101.59
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1F	REAL300000329111	0	29	-2.0	-109.45	304.00	5.83	-103.62
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)N=N1	REAL300000329112	0	27	-2.0	-108.09	276.97	1.73	-106.36
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329113	0	31	-2.0	-97.24	332.74	4.68	-92.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=CC=C1Cl	REAL300000329114	0	35	-2.0	-104.26	328.07	5.08	-99.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=CC=C1Cl	REAL300000329115	0	35	-2.0	-101.51	323.39	5.38	-96.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=CC=C1Cl	REAL300000329116	0	38	-2.0	-101.95	347.53	6.00	-95.95
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1Cl	REAL300000329117	0	29	-2.0	-94.87	319.85	4.94	-89.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1Cl	REAL300000329117	1	28	-3.0	-185.13	317.14	5.01	-180.12
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=NN2C1	REAL300000329118	0	39	-2.0	-111.24	353.22	3.42	-107.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=CC=C1Cl	REAL300000329119	0	34	-2.0	-105.50	345.01	6.31	-99.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=CC=C1Cl	REAL300000329120	1	34	-2.0	-103.54	328.91	2.63	-100.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=CC=C1Cl	REAL300000329121	0	25	-2.0	-103.92	278.84	4.13	-99.79
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000329122	1	32	-2.0	-96.64	324.05	4.95	-91.69
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=CC=C1Cl	REAL300000329123	0	35	-2.0	-106.24	321.11	5.47	-100.77
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000329124	0	32	-2.0	-103.75	319.38	4.84	-98.91
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329126	0	38	-2.0	-110.86	352.61	6.80	-104.06
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329127	0	31	-2.0	-102.68	301.76	6.12	-96.56
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2O1	REAL300000329128	0	36	-2.0	-117.14	335.35	5.99	-111.15
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000329129	0	36	-2.0	-103.35	346.84	5.07	-98.28
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2)CC1	REAL300000329130	1	36	-2.0	-107.82	346.41	7.62	-100.20
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329131	0	32	-2.0	-109.43	314.60	6.07	-103.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=CC=C1Cl	REAL300000329132	0	25	-2.0	-103.93	283.62	4.83	-99.10
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329133	0	28	-2.0	-95.29	300.13	3.52	-91.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=CC=C1Cl	REAL300000329134	0	30	-2.0	-96.98	312.33	4.60	-92.38
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329135	0	33	-2.0	-120.75	319.93	5.00	-115.75
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329136	0	30	-2.0	-94.98	292.10	2.73	-92.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=CC=C1Cl	REAL300000329138	1	29	-2.0	-95.95	293.05	4.19	-91.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=CC=C1Cl	REAL300000329139	0	31	-2.0	-108.23	317.03	6.83	-101.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=CC=C1Cl	REAL300000329140	0	31	-2.0	-119.70	323.08	5.11	-114.59
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329141	0	35	-2.0	-100.29	329.10	5.17	-95.12
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=C1F	REAL300000329142	1	37	-2.0	-103.96	333.92	7.76	-96.20
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1OC	REAL300000329143	0	36	-2.0	-109.76	333.90	5.33	-104.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=CC=C1Cl	REAL300000329144	1	37	-2.0	-113.69	346.50	2.63	-111.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=CC=C1Cl	REAL300000329145	0	31	-2.0	-108.78	307.95	5.69	-103.09
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1OC	REAL300000329146	0	36	-2.0	-114.67	337.59	5.73	-108.94
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000329147	0	41	-2.0	-108.35	366.96	6.31	-102.04
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=CC=CC=C2S1	REAL300000329148	0	32	-2.0	-110.34	329.03	7.35	-102.99
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000329149	0	35	-2.0	-107.11	333.47	5.33	-101.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=CC=C1Cl	REAL300000329151	0	31	-2.0	-113.75	307.61	4.62	-109.13
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C21	REAL300000329152	0	33	-2.0	-124.37	322.72	3.80	-120.57
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=C21	REAL300000329153	0	35	-2.0	-107.10	319.12	7.33	-99.77
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN=C1N	REAL300000329154	1	32	-2.0	-105.91	306.18	3.11	-102.80
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329155	0	28	-2.0	-104.05	295.49	1.27	-102.78
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)N=CN1	REAL300000329156	0	28	-2.0	-115.90	278.56	3.43	-112.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=CC=C1Cl	REAL300000329158	1	31	-2.0	-104.47	311.86	5.79	-98.68
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000329159	0	38	-2.0	-107.60	349.72	5.80	-101.80
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329160	1	46	-2.0	-110.02	392.41	9.31	-100.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=CC=C1Cl	REAL300000329161	0	25	-2.0	-103.30	284.01	4.95	-98.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=CC=C1Cl	REAL300000329162	0	38	-2.0	-104.80	352.17	6.04	-98.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=CC=C1Cl	REAL300000329163	0	32	-2.0	-109.78	314.91	6.60	-103.18
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000329164	1	41	-2.0	-114.72	367.99	3.81	-110.91
COC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000329165	0	37	-2.0	-130.90	343.61	6.61	-124.29
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329166	1	37	-2.0	-107.73	342.56	7.62	-100.11
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329167	0	34	-2.0	-98.72	334.45	3.74	-94.98
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329168	0	29	-2.0	-108.96	302.68	5.75	-103.21
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329169	0	35	-2.0	-104.25	323.86	4.93	-99.32
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329172	0	37	-2.0	-99.09	325.15	5.31	-93.78
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000329173	0	37	-2.0	-104.87	342.67	5.11	-99.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=CC=C1Cl	REAL300000329174	0	35	-2.0	-104.76	326.69	4.52	-100.24
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000329175	0	33	-2.0	-96.84	329.09	5.22	-91.62
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000329176	0	39	-2.0	-103.81	352.44	6.22	-97.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=CC=C1Cl	REAL300000329177	0	30	-2.0	-91.08	317.20	6.15	-84.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=CC=C1Cl	REAL300000329178	1	31	-2.0	-97.23	323.31	6.48	-90.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=CC=C1Cl	REAL300000329179	1	31	-2.0	-106.73	306.17	6.23	-100.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=CC=C1Cl	REAL300000329180	0	28	-2.0	-105.19	299.70	5.78	-99.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=CC=C1Cl	REAL300000329181	0	28	-2.0	-98.25	309.92	5.51	-92.74
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329182	0	31	-2.0	-99.81	300.35	3.62	-96.19
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000329184	1	34	-2.0	-107.06	311.38	6.74	-100.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=CC=C1Cl	REAL300000329185	0	31	-2.0	-105.13	305.96	6.42	-98.71
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329186	1	39	-2.0	-115.86	362.75	7.44	-108.42
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000329188	1	38	-2.0	-109.75	358.42	7.09	-102.66
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000329189	1	37	-2.0	-106.43	356.61	7.06	-99.37
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000329190	0	29	-2.0	-106.48	310.79	6.26	-100.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=CC=C1Cl	REAL300000329191	0	28	-2.0	-106.39	298.18	5.64	-100.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=CC=C1Cl	REAL300000329192	1	35	-2.0	-107.74	327.40	7.51	-100.23
COC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CS1	REAL300000329193	0	29	-2.0	-109.72	300.44	3.84	-105.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=CC=C1Cl	REAL300000329194	0	31	-2.0	-104.53	310.44	6.85	-97.68
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329195	0	34	-2.0	-101.52	344.35	5.75	-95.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=CC=C1Cl	REAL300000329196	0	35	-2.0	-109.62	332.89	7.57	-102.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=CC=C1Cl	REAL300000329197	0	38	-2.0	-101.77	342.92	6.02	-95.75
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329198	0	37	-2.0	-101.71	339.31	5.24	-96.47
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000329199	1	37	-2.0	-111.98	349.41	2.92	-109.06
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329201	0	31	-2.0	-113.17	332.11	1.90	-111.27
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)C2=N1	REAL300000329202	0	33	-2.0	-116.27	321.78	3.76	-112.51
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000329203	0	31	-2.0	-105.78	304.26	5.00	-100.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=CC=C1Cl	REAL300000329204	0	28	-2.0	-99.08	302.03	4.63	-94.45
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329205	0	32	-2.0	-102.09	319.13	5.31	-96.78
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C2CCOCC2)=N1	REAL300000329206	0	42	-2.0	-106.31	376.51	4.55	-101.76
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329207	1	34	-2.0	-106.61	331.39	6.94	-99.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=CC=C1Cl	REAL300000329208	1	32	-2.0	-105.95	317.42	4.99	-100.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000329210	0	29	-2.0	-103.00	301.96	3.86	-99.14
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000329211	0	39	-2.0	-123.22	349.62	7.74	-115.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CC=C1Cl	REAL300000329213	0	31	-2.0	-101.72	310.85	4.10	-97.62
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329214	1	38	-2.0	-108.42	355.09	6.10	-102.32
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000329215	0	31	-2.0	-102.29	329.85	4.87	-97.42
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329216	0	38	-2.0	-102.28	357.85	6.59	-95.69
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=CC=C1Cl	REAL300000329217	0	41	-2.0	-103.79	364.56	6.34	-97.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CC=C1Cl	REAL300000329218	1	31	-2.0	-109.73	299.81	6.33	-103.40
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329219	1	40	-2.0	-111.96	364.97	8.00	-103.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC=C1Cl	REAL300000329220	0	31	-2.0	-109.27	303.68	5.79	-103.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=CC=C1Cl	REAL300000329221	1	30	-2.0	-107.79	309.11	4.79	-103.00
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000329222	0	30	-2.0	-103.91	298.88	2.27	-101.64
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000329223	0	31	-2.0	-101.57	319.87	4.32	-97.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=CC=C1Cl	REAL300000329224	0	30	-2.0	-101.09	319.19	4.68	-96.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC=C1Cl	REAL300000329225	0	25	-2.0	-100.00	277.92	4.02	-95.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=CC=C1Cl	REAL300000329226	1	33	-2.0	-115.41	331.37	6.37	-109.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000329227	1	37	-2.0	-115.47	336.95	8.25	-107.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=CC=C1Cl	REAL300000329229	0	28	-2.0	-101.63	305.69	6.02	-95.61
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000329230	0	34	-2.0	-117.05	341.79	1.70	-115.35
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300000329231	0	38	-2.0	-109.80	355.59	6.83	-102.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=CC=C1Cl	REAL300000329233	0	32	-2.0	-106.18	321.99	6.73	-99.45
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000329234	0	31	-2.0	-97.05	323.62	6.22	-90.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=CC=C1Cl	REAL300000329236	0	24	-2.0	-95.92	282.10	3.83	-92.09
CC1=COC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329237	0	28	-2.0	-105.14	282.76	4.07	-101.07
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000329238	1	38	-2.0	-106.05	364.85	7.31	-98.74
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN1	REAL300000329239	0	34	-2.0	-104.21	338.54	3.20	-101.01
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1OC	REAL300000329240	0	33	-2.0	-106.48	331.17	3.41	-103.07
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CC=C1Cl	REAL300000329241	0	29	-2.0	-92.13	317.40	4.43	-87.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CC=C1Cl	REAL300000329241	1	28	-3.0	-160.53	314.75	4.44	-156.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=CC=C1Cl	REAL300000329242	0	27	-2.0	-92.74	295.80	4.04	-88.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=CC=C1Cl	REAL300000329243	1	32	-2.0	-105.10	323.67	5.04	-100.06
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329244	0	34	-2.0	-104.77	322.59	5.35	-99.42
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000329245	1	35	-2.0	-112.94	331.89	7.17	-105.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=CC=C1Cl	REAL300000329246	0	31	-2.0	-108.46	308.85	6.79	-101.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=CC=C1Cl	REAL300000329247	0	25	-2.0	-95.51	303.24	5.51	-90.00
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000329248	0	28	-2.0	-101.23	298.03	3.45	-97.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=CC=C1Cl	REAL300000329249	1	33	-2.0	-103.07	329.65	6.05	-97.02
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329250	0	34	-2.0	-118.03	316.00	7.24	-110.79
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)OC=C1	REAL300000329251	0	26	-2.0	-106.44	280.02	3.87	-102.57
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329252	0	30	-2.0	-97.07	305.92	4.80	-92.27
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329253	1	39	-2.0	-109.41	361.84	7.03	-102.38
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000329254	0	38	-2.0	-107.32	355.00	6.19	-101.13
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000329255	0	32	-2.0	-113.39	316.19	4.77	-108.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=CC=C1Cl	REAL300000329256	1	34	-2.0	-104.44	340.81	8.18	-96.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(=O)NC(=O)N1	REAL300000329257	1	31	-2.0	-110.11	301.26	1.12	-108.99
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329259	0	41	-2.0	-102.86	364.94	6.60	-96.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC=C1Cl	REAL300000329260	0	25	-2.0	-102.67	276.97	3.90	-98.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CC=C1Cl	REAL300000329261	0	25	-2.0	-100.08	286.98	4.92	-95.16
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329262	0	42	-2.0	-113.64	383.00	5.69	-107.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=CC=C1Cl	REAL300000329263	0	34	-2.0	-110.15	337.03	8.25	-101.90
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329264	0	36	-2.0	-101.86	330.45	3.15	-98.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=CC=C1Cl	REAL300000329265	1	35	-2.0	-109.73	321.73	7.58	-102.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=N1	REAL300000329269	1	34	-2.0	-99.92	321.02	2.85	-97.07
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329270	0	34	-2.0	-110.42	325.56	3.24	-107.18
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329271	0	31	-2.0	-104.29	320.87	3.10	-101.19
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000329272	0	34	-2.0	-101.10	325.49	2.82	-98.28
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000329273	0	37	-2.0	-103.67	341.14	5.55	-98.12
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329274	0	37	-2.0	-105.08	341.75	5.14	-99.94
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=CC=C1Cl	REAL300000329275	0	27	-2.0	-102.88	305.51	3.39	-99.49
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CO1	REAL300000329276	0	26	-2.0	-106.54	281.13	3.81	-102.73
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)SC=C1	REAL300000329277	0	26	-2.0	-105.56	290.23	4.73	-100.83
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329278	0	34	-2.0	-101.20	321.09	4.61	-96.59
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000329279	0	36	-2.0	-98.92	344.95	4.77	-94.15
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1Cl	REAL300000329280	0	38	-2.0	-103.62	355.49	7.82	-95.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1Cl	REAL300000329280	1	37	-3.0	-167.60	352.76	7.85	-159.75
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329281	0	31	-2.0	-112.21	320.02	7.22	-104.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CC=C1Cl	REAL300000329282	0	35	-2.0	-101.50	331.83	5.47	-96.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=CC=C1Cl	REAL300000329283	0	35	-2.0	-108.16	334.42	6.41	-101.75
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=NN1C(C)C	REAL300000329285	0	37	-2.0	-104.82	342.66	5.15	-99.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=CC=C1Cl	REAL300000329286	1	35	-2.0	-113.81	338.03	7.61	-106.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=CC=C1Cl	REAL300000329287	0	30	-2.0	-100.51	305.54	4.43	-96.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=CC=C1Cl	REAL300000329288	0	28	-2.0	-103.66	317.58	1.53	-102.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=CC=C1Cl	REAL300000329290	1	35	-2.0	-106.76	339.70	7.64	-99.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)=CC=C1Cl	REAL300000329291	0	32	-2.0	-108.62	328.63	5.87	-102.75
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1Cl	REAL300000329292	0	38	-2.0	-113.53	354.55	7.85	-105.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1Cl	REAL300000329292	1	37	-3.0	-177.28	352.08	7.85	-169.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC=C1Cl	REAL300000329293	1	29	-2.0	-107.24	289.19	2.55	-104.69
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329294	1	37	-2.0	-110.75	343.11	7.09	-103.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=CC=C1Cl	REAL300000329295	0	31	-2.0	-114.88	317.84	6.40	-108.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC=C1Cl	REAL300000329296	0	24	-2.0	-97.13	263.82	3.01	-94.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=CC=C1Cl	REAL300000329297	0	32	-2.0	-115.53	326.06	4.67	-110.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=CC=C1Cl	REAL300000329298	1	35	-2.0	-114.43	334.00	7.70	-106.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(Cl)=C1Cl	REAL300000329299	0	31	-2.0	-105.84	325.22	7.01	-98.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=CC=C1Cl	REAL300000329300	0	35	-2.0	-106.22	346.11	6.45	-99.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(F)F)=C1	REAL300000329301	1	35	-2.0	-112.17	328.63	5.99	-106.18
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329302	0	33	-2.0	-113.50	318.96	4.99	-108.51
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329303	0	34	-2.0	-122.74	327.51	6.95	-115.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000329304	0	36	-2.0	-122.99	335.90	6.57	-116.42
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000329305	0	33	-3.0	-165.82	328.77	5.96	-159.86
CCC1=C(S(=O)(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000329305	1	34	-2.0	-103.97	333.49	5.83	-98.14
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329306	0	41	-2.0	-116.04	367.63	7.40	-108.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000329307	0	28	-2.0	-98.96	303.45	5.80	-93.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC=C1Cl	REAL300000329308	0	24	-2.0	-101.28	264.75	2.52	-98.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=CC=C1Cl	REAL300000329309	0	35	-2.0	-105.85	323.89	4.72	-101.13
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329310	0	31	-2.0	-111.29	305.09	6.13	-105.16
CCCS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000329313	0	41	-2.0	-104.72	378.48	1.52	-103.20
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000329314	0	38	-2.0	-109.18	351.97	5.19	-103.99
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000329315	0	38	-2.0	-99.45	347.43	5.17	-94.28
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000329316	0	38	-2.0	-111.81	347.44	5.16	-106.65
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000329317	0	42	-2.0	-115.87	375.58	4.96	-110.91
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000329318	0	42	-2.0	-98.12	378.89	6.46	-91.66
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000329319	0	41	-2.0	-113.04	363.46	5.69	-107.35
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000329320	0	38	-2.0	-106.13	360.51	5.73	-100.40
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329321	0	38	-2.0	-107.65	359.95	5.55	-102.10
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000329322	0	44	-2.0	-113.00	380.55	6.50	-106.50
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000329323	0	38	-2.0	-108.20	352.92	5.22	-102.98
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000329324	0	44	-2.0	-97.19	391.01	6.75	-90.44
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000329325	0	35	-2.0	-106.16	340.63	4.19	-101.97
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000329326	0	41	-2.0	-110.98	362.88	5.95	-105.03
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000329327	0	42	-2.0	-96.92	378.51	5.45	-91.47
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000329328	0	39	-2.0	-110.31	354.09	4.52	-105.79
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000329329	1	42	-2.0	-111.11	371.64	3.97	-107.14
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000329330	0	38	-2.0	-102.44	356.55	4.85	-97.59
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000329331	0	44	-2.0	-112.20	378.89	6.48	-105.72
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000329332	0	35	-2.0	-107.50	339.09	4.20	-103.30
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000329333	0	42	-2.0	-117.70	374.73	5.23	-112.47
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)OC	REAL300000329334	0	44	-2.0	-107.90	373.07	6.69	-101.21
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000329335	0	38	-2.0	-104.82	350.45	4.30	-100.52
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000329336	0	42	-2.0	-114.48	376.36	4.26	-110.22
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000329337	0	41	-2.0	-102.08	368.15	5.99	-96.09
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000329338	0	38	-2.0	-107.65	356.07	5.05	-102.60
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000329339	0	38	-2.0	-96.78	360.49	5.72	-91.06
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000329340	0	38	-2.0	-98.90	351.98	5.20	-93.70
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000329341	0	35	-2.0	-101.20	339.70	4.29	-96.91
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000329342	0	38	-2.0	-102.78	353.86	5.23	-97.55
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000329343	0	41	-2.0	-109.77	373.19	5.86	-103.91
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000329344	0	38	-2.0	-99.14	352.90	5.23	-93.91
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000329345	0	38	-2.0	-96.94	359.95	5.56	-91.38
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000329346	0	39	-2.0	-109.14	357.15	2.88	-106.26
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000329347	0	41	-2.0	-101.96	369.62	5.95	-96.01
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000329348	0	41	-2.0	-109.00	357.48	5.79	-103.21
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000329349	0	41	-2.0	-110.69	372.27	5.81	-104.88
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000329350	0	41	-2.0	-99.15	362.85	5.94	-93.21
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000329351	0	44	-2.0	-115.14	380.32	6.23	-108.91
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000329352	0	44	-2.0	-113.41	381.92	6.55	-106.86
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000329353	0	41	-2.0	-109.38	368.92	5.76	-103.62
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000329354	0	41	-2.0	-118.18	372.47	5.85	-112.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000329355	0	44	-2.0	-113.81	381.41	6.35	-107.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000329356	0	42	-2.0	-111.64	375.46	5.37	-106.27
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000329357	0	41	-2.0	-101.19	367.51	5.81	-95.38
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000329358	0	41	-2.0	-108.31	367.39	5.97	-102.34
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000329359	0	38	-2.0	-117.30	351.08	5.19	-112.11
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000329360	0	41	-2.0	-103.71	368.60	5.73	-97.98
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000329361	0	37	-2.0	-109.79	343.66	3.28	-106.51
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000329362	0	42	-2.0	-103.40	375.64	4.95	-98.45
COC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000329363	0	35	-2.0	-99.23	347.55	4.13	-95.10
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000329364	0	41	-2.0	-103.61	365.86	5.05	-98.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(OCC(F)(F)F)=C1	REAL300000329365	0	38	-2.0	-100.68	357.73	6.41	-94.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(OCC(F)(F)F)=C1	REAL300000329366	0	38	-2.0	-113.37	357.74	6.40	-106.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(OCC(F)(F)F)=C1	REAL300000329367	0	35	-2.0	-107.62	350.93	5.42	-102.20
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(OCC(F)(F)F)=C1	REAL300000329368	0	39	-2.0	-111.76	364.39	5.75	-106.01
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(OCC(F)(F)F)=C1	REAL300000329369	0	35	-2.0	-108.94	349.39	5.44	-103.50
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OCC(F)(F)F)C=C(C(=O)[O-])O1	REAL300000329370	0	38	-2.0	-106.73	360.75	5.56	-101.17
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(OCC(F)(F)F)=C1	REAL300000329371	0	35	-2.0	-102.58	350.00	5.52	-97.06
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(OCC(F)(F)F)=C1	REAL300000329372	0	37	-2.0	-111.30	353.95	4.52	-106.78
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300000329373	1	38	-2.0	-91.96	348.69	5.35	-86.61
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000329374	1	38	-2.0	-107.33	354.12	5.37	-101.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000329375	1	41	-2.0	-105.61	369.32	5.99	-99.62
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000329376	0	35	-2.0	-97.27	347.57	4.44	-92.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)C)C(Cl)=C1	REAL300000329377	1	41	-2.0	-103.49	364.59	6.13	-97.36
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000329378	0	39	-2.0	-105.41	359.90	4.75	-100.66
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000329379	0	35	-2.0	-104.21	345.23	4.42	-99.79
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000329380	0	38	-2.0	-102.11	356.27	4.55	-97.56
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000329381	0	35	-2.0	-93.27	346.66	4.55	-88.72
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000329382	0	39	-2.0	-102.22	358.87	3.04	-99.18
CN(C)C(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000329382	1	39	-2.0	-100.80	363.28	4.01	-96.79
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000329383	1	41	-2.0	-94.42	370.88	6.13	-88.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)C)C(Cl)=C1	REAL300000329384	1	41	-2.0	-100.71	358.89	5.99	-94.72
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)C)C(Cl)=C1	REAL300000329385	1	41	-2.0	-92.19	364.13	6.12	-86.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000329386	0	42	-2.0	-107.09	382.14	5.59	-101.50
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000329387	1	41	-2.0	-96.04	369.53	5.94	-90.10
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000329388	0	37	-2.0	-99.53	346.93	3.41	-96.12
CCN(C1=CC=CC(C)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000329419	0	40	-2.0	-112.02	348.55	8.18	-103.84
CCN(C1=CC=CC(C)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000329450	0	38	-2.0	-108.28	335.60	6.60	-101.68
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000329487	0	39	-2.0	-113.22	354.92	4.57	-108.65
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000329488	0	39	-2.0	-103.48	350.37	4.55	-98.93
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000329489	0	39	-2.0	-116.23	350.39	4.54	-111.69
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000329490	0	43	-2.0	-121.37	378.54	4.34	-117.03
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000329491	0	43	-2.0	-102.41	381.84	5.84	-96.57
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000329492	0	42	-2.0	-118.76	366.41	5.08	-113.68
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000329493	0	39	-2.0	-111.15	363.46	5.12	-106.03
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000329494	0	39	-2.0	-111.82	362.90	4.93	-106.89
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000329495	0	45	-2.0	-118.03	383.50	5.87	-112.16
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000329496	0	39	-2.0	-113.57	355.87	4.60	-108.97
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000329497	0	45	-2.0	-101.80	393.97	6.12	-95.68
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000329498	0	36	-2.0	-110.38	343.58	3.55	-106.83
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000329499	0	42	-2.0	-116.08	365.83	5.32	-110.76
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000329500	0	43	-2.0	-101.14	381.46	4.83	-96.31
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000329501	0	40	-2.0	-114.54	357.04	3.89	-110.65
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000329502	0	43	-2.0	-116.19	374.59	3.35	-112.84
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000329503	0	39	-2.0	-107.01	359.53	4.23	-102.78
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000329504	0	45	-2.0	-117.47	381.84	5.86	-111.61
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000329505	0	36	-2.0	-111.72	342.04	3.57	-108.15
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000329506	0	43	-2.0	-121.98	377.68	4.61	-117.37
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000329507	0	48	-2.0	-118.30	404.29	6.55	-111.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCOC	REAL300000329508	0	45	-2.0	-113.46	380.52	6.27	-107.19
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000329509	0	46	-2.0	-122.34	400.82	5.11	-117.23
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000329510	0	41	-3.0	-194.23	378.80	5.11	-189.12
COCCOC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000329510	1	42	-2.0	-113.99	378.80	5.04	-108.95
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000329511	0	46	-2.0	-120.88	394.64	6.44	-114.44
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000329512	0	39	-2.0	-109.17	353.40	3.68	-105.49
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000329513	0	43	-2.0	-117.94	379.38	3.63	-114.31
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000329514	0	46	-2.0	-101.66	401.55	5.53	-96.13
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000329515	0	42	-2.0	-106.66	371.11	5.35	-101.31
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000329516	0	43	-2.0	-100.42	387.69	4.89	-95.53
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCOC)C=C1C(=O)[O-]	REAL300000329517	0	46	-2.0	-123.84	399.53	5.52	-118.32
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000329518	0	39	-2.0	-112.41	359.02	4.43	-107.98
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000329519	0	39	-2.0	-100.72	363.44	5.11	-95.61
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000329520	0	39	-2.0	-102.86	354.90	4.58	-98.28
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000329521	0	36	-2.0	-105.65	342.65	3.67	-101.98
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000329522	0	39	-2.0	-107.70	356.80	4.61	-103.09
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000329523	0	42	-2.0	-115.22	376.14	5.24	-109.98
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000329524	0	39	-2.0	-103.35	355.86	4.61	-98.74
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000329525	0	39	-2.0	-101.00	362.88	4.94	-96.06
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000329526	0	42	-2.0	-108.39	379.84	5.74	-102.65
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000329527	0	39	-2.0	-104.67	361.21	4.63	-100.04
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000329528	0	41	-2.0	-100.97	378.58	5.21	-95.76
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000329529	0	40	-2.0	-114.69	360.11	2.24	-112.45
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000329530	0	42	-2.0	-106.99	372.57	5.32	-101.67
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000329531	0	42	-2.0	-113.57	360.43	5.17	-108.40
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000329532	0	42	-2.0	-115.90	375.22	5.19	-110.71
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000329533	0	42	-2.0	-103.02	365.81	5.31	-97.71
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000329534	0	45	-2.0	-119.75	383.27	5.61	-114.14
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000329535	0	41	-2.0	-113.52	376.95	5.64	-107.88
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000329536	0	39	-2.0	-105.24	362.13	4.67	-100.57
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000329537	0	45	-2.0	-117.99	383.92	5.95	-112.04
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000329538	0	42	-2.0	-114.87	371.86	5.14	-109.73
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000329539	0	42	-2.0	-113.11	382.17	5.67	-107.44
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000329540	0	42	-2.0	-123.13	375.40	5.23	-117.90
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCOC)C=C1C(=O)[O-]	REAL300000329541	0	45	-2.0	-119.46	384.36	5.73	-113.73
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000329542	0	46	-2.0	-119.03	400.85	4.67	-114.36
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000329543	0	42	-2.0	-106.41	376.65	5.73	-100.68
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000329544	0	42	-2.0	-114.93	381.61	5.50	-109.43
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCOC)C=C1C(=O)[O-]	REAL300000329545	0	43	-2.0	-115.93	378.41	4.75	-111.18
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000329546	0	42	-2.0	-109.72	380.25	5.51	-104.21
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000329547	0	42	-2.0	-105.23	370.44	5.19	-100.04
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000329548	0	42	-2.0	-113.00	370.34	5.36	-107.64
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000329549	0	41	-2.0	-125.15	374.14	6.40	-118.75
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000329550	0	39	-2.0	-122.20	354.03	4.57	-117.63
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000329551	0	42	-2.0	-107.95	371.56	5.11	-102.84
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000329552	0	38	-2.0	-115.17	346.60	2.65	-112.52
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000329553	0	43	-2.0	-107.70	378.60	4.33	-103.37
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000329554	0	36	-2.0	-103.41	350.50	3.51	-99.90
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000329555	0	46	-2.0	-109.59	396.52	6.43	-103.16
COCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000329556	0	46	-2.0	-114.00	394.48	6.40	-107.60
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCOC)C=C(C(=O)[O-])O1	REAL300000329557	0	42	-2.0	-108.45	372.51	4.53	-103.92
CN(C1=CC=CC(C#N)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000329589	0	35	-2.0	-111.69	339.53	7.49	-104.20
CN(C1=CC=CC(C#N)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000329620	0	33	-2.0	-104.61	313.85	5.49	-99.12
CC(C)C1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000329685	0	43	-2.0	-109.98	378.87	9.00	-100.98
CC(C)C1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000329710	0	41	-2.0	-114.74	351.44	6.90	-107.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCO2)C=C1	REAL300000329745	0	46	-2.0	-104.52	391.94	6.61	-97.91
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCO2)=C1	REAL300000329746	0	46	-2.0	-118.50	391.97	6.59	-111.91
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCO2)=C1	REAL300000329747	0	43	-2.0	-112.22	385.15	5.62	-106.60
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCO2)C=C1C(=O)[O-]	REAL300000329748	0	47	-2.0	-116.58	398.62	5.94	-110.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCO2)=CS1	REAL300000329749	0	43	-2.0	-112.82	383.62	5.63	-107.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCO2)C=C(C(=O)[O-])O1	REAL300000329750	0	46	-2.0	-110.89	394.97	5.73	-105.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCO2)S1	REAL300000329751	0	43	-2.0	-106.58	384.22	5.73	-100.85
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCO2)=C1	REAL300000329752	0	45	-2.0	-115.54	388.18	4.71	-110.83
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000329753	1	41	-2.0	-108.07	367.41	6.49	-101.58
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000329754	1	41	-2.0	-97.53	362.87	6.47	-91.06
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000329755	1	41	-2.0	-109.54	362.87	6.46	-103.08
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)C)=C1	REAL300000329756	0	45	-2.0	-115.37	391.01	6.26	-109.11
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000329757	1	45	-2.0	-97.13	394.34	7.75	-89.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)C=C1C(=O)[O-]	REAL300000329758	1	44	-2.0	-111.68	378.89	6.99	-104.69
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000329759	0	41	-2.0	-105.05	375.94	7.03	-98.02
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329760	1	41	-2.0	-106.21	375.39	6.85	-99.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)=C1C	REAL300000329761	1	47	-2.0	-112.35	395.55	7.80	-104.55
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000329762	0	41	-2.0	-106.91	368.35	6.52	-100.39
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000329763	1	47	-2.0	-96.01	406.45	8.04	-87.97
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000329764	0	38	-2.0	-103.82	356.05	5.47	-98.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)C)=C1	REAL300000329765	1	44	-2.0	-110.49	378.30	7.24	-103.25
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000329767	0	42	-2.0	-107.93	369.52	5.80	-102.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)=C1	REAL300000329769	0	41	-2.0	-100.68	371.98	6.13	-94.55
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000329771	0	38	-2.0	-105.51	354.52	5.49	-100.02
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000329773	1	50	-2.0	-112.50	416.78	8.46	-104.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)C)=C1	REAL300000329774	1	47	-2.0	-108.41	393.04	8.18	-100.23
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)C)=C1	REAL300000329775	0	48	-2.0	-115.13	413.30	7.01	-108.12
CC(C)OCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000329776	0	44	-2.0	-109.53	397.99	6.88	-102.65
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000329776	1	43	-3.0	-186.26	391.28	7.02	-179.24
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000329777	1	48	-2.0	-114.51	407.14	8.36	-106.15
CC1=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000329778	0	41	-2.0	-103.40	365.87	5.59	-97.81
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)=C1	REAL300000329779	0	45	-2.0	-111.50	391.86	5.55	-105.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)C)=C1	REAL300000329781	1	44	-2.0	-100.97	383.58	7.27	-93.70
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000329782	1	45	-2.0	-95.13	400.18	6.80	-88.33
CC1=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000329784	1	41	-2.0	-106.84	371.47	6.35	-100.49
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000329785	0	41	-2.0	-94.72	375.92	7.02	-87.70
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000329786	1	41	-2.0	-96.90	367.39	6.50	-90.40
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000329787	0	38	-2.0	-99.39	355.14	5.59	-93.80
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000329788	1	41	-2.0	-100.61	369.28	6.52	-94.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)=C1F	REAL300000329789	0	44	-2.0	-108.39	388.63	7.15	-101.24
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000329790	0	41	-2.0	-96.85	368.34	6.53	-90.32
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000329791	1	41	-2.0	-95.02	375.37	6.86	-88.16
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)C)=C1	REAL300000329792	1	44	-2.0	-102.42	392.31	7.65	-94.77
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000329793	1	41	-2.0	-98.31	373.70	6.55	-91.76
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000329794	0	43	-2.0	-94.69	391.06	7.12	-87.57
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000329795	0	42	-2.0	-109.22	372.57	4.17	-105.05
CC(C)OCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000329795	1	42	-2.0	-105.85	371.68	5.04	-100.81
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000329796	1	44	-2.0	-100.78	385.06	7.23	-93.55
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)C)=C1	REAL300000329797	1	44	-2.0	-106.71	372.94	7.10	-99.61
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000329798	1	44	-2.0	-108.50	387.72	7.11	-101.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)=CC(C(=O)[O-])=C1C	REAL300000329800	1	47	-2.0	-113.68	395.75	7.52	-106.16
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000329801	0	43	-2.0	-107.41	389.45	7.55	-99.86
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000329802	0	41	-2.0	-98.83	374.63	6.58	-92.25
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)C=C1C(=O)[O-]	REAL300000329804	0	44	-2.0	-109.22	388.19	7.15	-102.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)=C1Cl	REAL300000329805	0	44	-2.0	-106.81	394.63	7.60	-99.21
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)=C1	REAL300000329806	0	44	-2.0	-116.18	387.91	7.15	-109.03
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)C=C1C(=O)[O-]	REAL300000329807	1	47	-2.0	-112.85	397.15	7.64	-105.21
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)C)=C1	REAL300000329809	1	44	-2.0	-99.70	389.13	7.63	-92.07
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000329810	1	44	-2.0	-108.03	394.09	7.43	-100.60
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)C=C1C(=O)[O-]	REAL300000329811	0	45	-2.0	-109.26	390.89	6.68	-102.58
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)C=C1C(=O)[O-]	REAL300000329812	1	44	-2.0	-105.21	396.61	7.53	-97.68
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000329813	1	44	-2.0	-97.39	378.88	7.00	-90.39
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000329815	0	43	-2.0	-118.26	386.60	8.32	-109.94
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000329816	0	41	-2.0	-114.94	366.53	6.49	-108.45
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)C=C1C(=O)[O-]	REAL300000329817	1	44	-2.0	-103.29	387.81	7.14	-96.15
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000329818	1	47	-2.0	-119.38	403.91	8.58	-110.80
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000329819	0	40	-2.0	-107.86	359.09	4.59	-103.27
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)C)=C1	REAL300000329820	0	45	-2.0	-101.86	391.07	6.26	-95.60
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000329821	0	38	-2.0	-97.44	363.02	5.45	-91.99
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000329822	1	48	-2.0	-103.90	409.00	8.34	-95.56
CC(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000329823	1	48	-2.0	-108.00	408.34	8.34	-99.66
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000329824	0	44	-2.0	-102.85	385.00	6.44	-96.41
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000329825	1	43	-2.0	-89.90	386.40	4.40	-85.50
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000329826	1	36	-2.0	-106.28	334.46	5.84	-100.44
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000329827	0	44	-2.0	-107.01	389.54	6.92	-100.09
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000329828	1	36	-2.0	-96.37	329.91	5.82	-90.55
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000329829	1	36	-2.0	-108.96	329.92	5.82	-103.14
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000329830	0	40	-2.0	-114.00	358.06	5.62	-108.38
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000329831	1	40	-2.0	-95.84	361.39	7.12	-88.72
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000329832	1	39	-2.0	-109.94	345.93	6.36	-103.58
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000329833	0	36	-2.0	-103.99	342.99	6.39	-97.60
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329834	1	36	-2.0	-104.65	342.43	6.21	-98.44
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000329835	1	42	-2.0	-111.41	362.60	7.18	-104.23
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000329836	0	36	-2.0	-105.78	335.40	5.88	-99.90
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000329837	1	42	-2.0	-94.99	373.50	7.39	-87.60
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000329838	0	33	-2.0	-103.15	323.10	4.83	-98.32
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000329839	1	39	-2.0	-109.27	345.35	6.61	-102.66
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000329840	1	40	-2.0	-94.53	361.00	6.11	-88.42
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000329841	0	37	-2.0	-107.28	336.57	5.17	-102.11
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000329843	0	36	-2.0	-99.23	339.03	5.51	-93.72
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000329844	1	42	-2.0	-110.85	360.99	7.17	-103.68
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000329845	0	33	-2.0	-104.62	321.57	4.86	-99.76
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000329846	1	44	-2.0	-109.30	388.23	5.63	-103.67
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000329847	1	40	-2.0	-114.80	357.21	5.89	-108.91
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000329848	1	46	-2.0	-113.15	385.16	8.44	-104.71
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000329849	1	45	-2.0	-111.47	383.82	7.82	-103.65
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000329850	1	42	-2.0	-107.49	360.09	7.54	-99.95
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000329851	0	43	-2.0	-113.28	380.35	6.38	-106.90
C=CCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000329852	0	39	-2.0	-113.41	365.03	6.25	-107.16
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000329852	1	38	-3.0	-184.50	358.32	6.39	-178.11
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000329853	1	43	-2.0	-113.51	374.16	7.71	-105.80
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000329854	0	36	-2.0	-102.34	332.93	4.95	-97.39
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000329855	1	42	-2.0	-113.70	372.10	5.60	-108.10
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000329856	0	40	-2.0	-110.12	358.90	4.90	-105.22
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000329857	1	44	-2.0	-95.86	383.55	6.42	-89.44
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000329858	0	36	-2.0	-100.63	347.51	6.42	-94.21
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000329859	1	40	-2.0	-93.04	377.03	6.65	-86.39
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000329860	1	43	-2.0	-95.02	381.07	6.80	-88.22
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000329861	1	39	-2.0	-99.86	350.63	6.64	-93.22
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000329862	1	40	-2.0	-94.01	367.22	6.17	-87.84
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)=C1	REAL300000329863	1	43	-2.0	-115.31	379.07	6.80	-108.51
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000329864	0	36	-2.0	-105.54	339.61	5.70	-99.84
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000329865	0	36	-2.0	-93.90	342.97	6.37	-87.53
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000329866	1	36	-2.0	-95.87	334.44	5.86	-90.01
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000329867	0	33	-2.0	-98.00	322.19	4.94	-93.06
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000329868	1	36	-2.0	-99.68	336.33	5.87	-93.81
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000329869	0	39	-2.0	-107.21	355.68	6.53	-100.68
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000329870	0	40	-2.0	-98.56	370.23	6.45	-92.11
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000329871	0	36	-2.0	-95.86	335.38	5.88	-89.98
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000329872	1	36	-2.0	-93.91	342.41	6.22	-87.69
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000329873	1	39	-2.0	-101.47	359.36	7.03	-94.44
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000329874	1	44	-2.0	-92.63	393.66	7.23	-85.40
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000329875	1	36	-2.0	-97.76	340.74	5.92	-91.84
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000329876	0	38	-2.0	-93.89	358.11	6.48	-87.41
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000329877	0	37	-2.0	-107.86	339.62	3.54	-104.32
C=CCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000329877	1	37	-2.0	-106.82	338.73	4.41	-102.41
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000329878	1	39	-2.0	-99.54	352.11	6.59	-92.95
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000329879	1	36	-2.0	-99.17	350.62	6.35	-92.82
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000329880	1	39	-2.0	-105.52	339.98	6.45	-99.07
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000329881	1	39	-2.0	-107.76	354.75	6.47	-101.29
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000329882	1	39	-2.0	-96.42	345.33	6.60	-89.82
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000329883	1	42	-2.0	-113.38	366.72	6.99	-106.39
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000329884	0	38	-2.0	-107.16	356.49	6.91	-100.25
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000329885	0	36	-2.0	-97.47	341.68	5.94	-91.53
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000329886	1	42	-2.0	-109.93	363.31	7.23	-102.70
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000329887	0	39	-2.0	-108.05	355.24	6.52	-101.53
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000329888	0	39	-2.0	-105.77	361.68	6.95	-98.82
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000329889	0	39	-2.0	-114.39	354.95	6.51	-107.88
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000329890	1	42	-2.0	-110.87	363.85	7.00	-103.87
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000329891	1	43	-2.0	-109.99	380.39	5.94	-104.05
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000329892	1	39	-2.0	-98.55	356.18	7.00	-91.55
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000329893	1	39	-2.0	-106.56	361.14	6.78	-99.78
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000329894	0	40	-2.0	-108.53	358.05	6.03	-102.50
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000329896	1	39	-2.0	-103.30	363.66	6.88	-96.42
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000329897	0	45	-2.0	-105.43	379.36	7.95	-97.48
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000329898	0	40	-2.0	-109.54	370.25	6.44	-103.10
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000329899	1	39	-2.0	-96.54	345.92	6.37	-90.17
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000329900	0	41	-2.0	-102.21	373.19	8.01	-94.20
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000329901	1	39	-2.0	-106.90	349.46	6.66	-100.24
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000329902	0	38	-2.0	-116.83	353.64	7.68	-109.15
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000329903	0	36	-2.0	-113.58	333.58	5.86	-107.72
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000329904	1	39	-2.0	-101.49	354.86	6.50	-94.99
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000329905	1	42	-2.0	-117.19	370.96	7.94	-109.25
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000329906	0	35	-2.0	-105.31	326.90	3.87	-101.44
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000329907	0	40	-2.0	-100.61	358.11	5.63	-94.98
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000329908	0	33	-2.0	-96.33	330.07	4.80	-91.53
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000329909	1	43	-2.0	-102.63	376.04	7.71	-94.92
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000329910	1	43	-2.0	-107.28	375.36	7.71	-99.57
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000329911	0	39	-2.0	-102.06	352.05	5.80	-96.26
CCN(C1=CC=CC(C)=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000329937	0	43	-2.0	-111.35	371.88	9.14	-102.21
CCN(C1=CC=CC(C)=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000329960	0	41	-2.0	-110.39	345.46	7.42	-102.97
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)=CC=C1F	REAL300000329993	0	37	-2.0	-103.18	353.97	-1.47	-104.65
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NC2CCS(=O)(=O)C2)=CC=C1F	REAL300000329993	1	36	-3.0	-211.13	352.40	-2.37	-213.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)C=C1	REAL300000329994	0	37	-2.0	-93.83	349.92	-1.48	-95.31
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)=CC=C1	REAL300000329995	0	37	-2.0	-105.03	349.44	-1.50	-106.53
CC1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)C=C1C(=O)[O-]	REAL300000329996	0	40	-2.0	-105.83	365.92	-0.95	-106.78
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)=C1	REAL300000329997	0	37	-2.0	-102.06	354.91	-1.44	-103.50
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)NC2CCS(=O)(=O)C2)=C1	REAL300000329997	1	36	-3.0	-210.91	352.90	-2.35	-213.26
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)=C1	REAL300000329998	0	34	-2.0	-99.94	342.62	-2.47	-102.41
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)NC2CCS(=O)(=O)C2)=C1	REAL300000329998	1	33	-3.0	-206.16	340.61	-3.39	-209.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC1CCS(=O)(=O)C1	REAL300000329999	0	40	-2.0	-106.69	364.87	-0.71	-107.40
CN1C=C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)C=C1C(=O)[O-]	REAL300000330000	0	38	-2.0	-103.73	356.53	-2.13	-105.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)=C1	REAL300000330001	0	37	-2.0	-95.54	359.00	-1.80	-97.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)NC2CCS(=O)(=O)C2)=C1	REAL300000330001	1	36	-3.0	-202.24	356.98	-2.72	-204.96
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)=CS1	REAL300000330002	0	34	-2.0	-101.34	341.09	-2.46	-103.80
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NC2CCS(=O)(=O)C2)=CS1	REAL300000330002	1	33	-3.0	-208.19	339.08	-3.38	-211.57
CC1=C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)C=C(C(=O)[O-])O1	REAL300000330003	0	37	-2.0	-100.48	352.45	-2.35	-102.83
CC1=C(S(=O)(=O)[N-][N-]C(=O)NC2CCS(=O)(=O)C2)C=C(C(=O)[O-])O1	REAL300000330003	1	36	-3.0	-203.05	350.88	-3.25	-206.30
CC1=C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)C=C(C(=O)[O-])S1	REAL300000330004	0	37	-2.0	-103.83	358.48	-1.58	-105.41
CC1=C(S(=O)(=O)[N-][N-]C(=O)NC2CCS(=O)(=O)C2)C=C(C(=O)[O-])S1	REAL300000330004	1	36	-3.0	-207.10	356.03	-2.52	-209.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)C=C1F	REAL300000330005	0	37	-2.0	-93.65	354.41	-1.44	-95.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)NC2CCS(=O)(=O)C2)C=C1F	REAL300000330005	1	36	-3.0	-195.92	352.40	-2.37	-198.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)S1	REAL300000330006	0	34	-2.0	-94.69	342.15	-2.35	-97.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)NC2CCS(=O)(=O)C2)S1	REAL300000330006	1	33	-3.0	-199.17	339.70	-3.28	-202.45
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)=CC(F)=C1	REAL300000330007	0	37	-2.0	-96.65	355.84	-1.43	-98.08
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NC2CCS(=O)(=O)C2)=CC(F)=C1	REAL300000330007	1	36	-3.0	-203.47	353.83	-2.35	-205.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)C(F)=C1	REAL300000330008	0	37	-2.0	-92.36	355.34	-1.41	-93.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)NC2CCS(=O)(=O)C2)C(F)=C1	REAL300000330008	1	36	-3.0	-198.72	353.33	-2.34	-201.06
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)=C1	REAL300000330009	0	38	-2.0	-105.81	359.15	-3.77	-109.58
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)=C1	REAL300000330009	1	37	-3.0	-192.86	355.59	-2.89	-195.75
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)C=C1	REAL300000330010	0	40	-2.0	-96.93	372.12	-0.70	-97.63
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)NC1CCS(=O)(=O)C1	REAL300000330011	0	40	-2.0	-99.86	359.42	-0.87	-100.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)NC1CCS(=O)(=O)C1	REAL300000330012	0	40	-2.0	-94.43	365.30	-0.71	-95.14
CCN1C=C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)C=C1C(=O)[O-]	REAL300000330013	0	41	-2.0	-104.79	377.91	-1.26	-106.05
CC1=CC(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)=CC=C1C(=O)[O-]	REAL300000330014	0	40	-2.0	-94.04	365.44	-0.95	-94.99
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)=CC=C1	REAL300000330015	0	37	-2.0	-106.43	353.54	-1.45	-107.88
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)NC2CCS(=O)(=O)C2)=CC=C1	REAL300000330015	1	36	-3.0	-224.02	351.48	-2.37	-226.39
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)=C1	REAL300000330016	0	36	-2.0	-102.12	345.66	-3.36	-105.48
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)NC2CCS(=O)(=O)C2)=C1	REAL300000330016	1	35	-3.0	-212.87	343.64	-4.29	-217.16
CCC1=C(S(=O)(=O)[N-]NC(=O)NC2CCS(=O)(=O)C2)C=C(C(=O)[O-])O1	REAL300000330017	0	40	-2.0	-100.38	371.56	-1.57	-101.95
CCC1=C(S(=O)(=O)[N-][N-]C(=O)NC2CCS(=O)(=O)C2)C=C(C(=O)[O-])O1	REAL300000330017	1	39	-3.0	-202.59	369.99	-2.47	-205.06
CC1=CC=C(C2=CC=C(C#N)S2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000330018	1	39	-2.0	-100.74	374.18	8.97	-91.77
CC1=CC=C(C2=CC=C(C#N)S2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000330019	1	39	-2.0	-113.75	374.19	8.97	-104.78
CC1=CC=C(C2=CC=C(C#N)S2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000330020	0	38	-2.0	-111.71	370.40	7.10	-104.61
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000330021	0	36	-2.0	-107.15	342.09	5.71	-101.44
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000330022	0	36	-2.0	-97.30	337.55	5.69	-91.61
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000330023	0	36	-2.0	-109.75	337.55	5.68	-104.07
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000330024	0	40	-2.0	-115.59	365.69	5.48	-110.11
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000330025	0	40	-2.0	-96.57	369.00	6.97	-89.60
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000330026	0	39	-2.0	-110.95	353.57	6.21	-104.74
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000330027	0	36	-2.0	-105.59	350.62	6.24	-99.35
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000330028	0	36	-2.0	-105.55	350.07	6.07	-99.48
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000330029	0	42	-2.0	-113.28	370.22	7.03	-106.25
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000330030	0	36	-2.0	-107.47	343.02	5.74	-101.73
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000330031	0	42	-2.0	-95.95	381.14	7.26	-88.69
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000330032	0	33	-2.0	-104.14	330.74	4.69	-99.45
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000330033	0	39	-2.0	-111.01	352.98	6.46	-104.55
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000330034	0	40	-2.0	-95.22	368.62	5.95	-89.27
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000330035	0	37	-2.0	-108.13	344.20	5.02	-103.11
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000330036	0	40	-2.0	-111.71	361.33	4.52	-107.19
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000330037	0	36	-2.0	-100.28	346.66	5.35	-94.93
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000330038	0	42	-2.0	-112.26	369.01	7.00	-105.26
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000330039	0	33	-2.0	-105.45	329.20	4.71	-100.74
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000330040	0	40	-2.0	-115.59	364.84	5.75	-109.84
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000330041	0	45	-2.0	-113.14	391.46	7.70	-105.44
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000330042	0	42	-2.0	-109.06	367.68	7.40	-101.66
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000330043	0	43	-2.0	-115.54	387.98	6.24	-109.30
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000330044	0	38	-3.0	-185.93	365.96	6.24	-179.69
CCOC1=CC=C(C#N)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000330044	1	39	-2.0	-112.72	365.99	6.19	-106.53
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000330045	0	43	-2.0	-115.40	381.80	7.57	-107.83
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000330046	0	36	-2.0	-104.05	340.56	4.82	-99.23
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000330047	0	40	-2.0	-110.27	366.47	4.78	-105.49
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000330048	0	36	-2.0	-102.30	355.14	6.28	-96.02
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000330049	0	43	-2.0	-95.71	388.71	6.66	-89.05
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000330050	0	39	-2.0	-101.54	358.26	6.49	-95.05
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000330051	0	40	-2.0	-94.72	374.85	6.02	-88.70
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000330052	0	43	-2.0	-116.28	386.70	6.65	-109.63
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000330053	0	36	-2.0	-107.28	347.24	5.56	-101.72
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000330054	0	36	-2.0	-94.69	350.60	6.25	-88.44
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000330055	0	36	-2.0	-96.80	342.08	5.72	-91.08
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000330056	0	33	-2.0	-99.12	329.80	4.81	-94.31
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000330057	0	36	-2.0	-100.70	343.97	5.74	-94.96
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000330058	0	39	-2.0	-108.92	363.30	6.38	-102.54
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000330059	0	36	-2.0	-96.65	343.01	5.75	-90.90
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000330060	0	36	-2.0	-94.82	350.05	6.08	-88.74
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000330061	0	39	-2.0	-103.22	366.99	6.87	-96.35
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000330062	0	36	-2.0	-98.77	348.38	5.77	-93.00
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000330063	0	38	-2.0	-94.82	365.75	6.34	-88.48
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000330064	0	37	-2.0	-109.85	347.25	3.39	-106.46
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000330065	0	39	-2.0	-101.10	359.74	6.45	-94.65
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000330066	0	36	-2.0	-100.21	358.26	6.21	-94.00
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000330067	0	39	-2.0	-105.44	347.59	6.31	-99.13
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000330068	0	39	-2.0	-108.56	362.39	6.33	-102.23
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000330069	0	39	-2.0	-97.46	352.96	6.45	-91.01
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000330070	0	42	-2.0	-112.90	371.02	6.75	-106.15
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000330071	0	38	-2.0	-107.99	364.13	6.77	-101.22
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000330072	0	36	-2.0	-99.06	349.29	5.80	-93.26
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000330073	0	42	-2.0	-110.02	371.08	7.09	-102.93
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000330074	0	39	-2.0	-109.80	362.87	6.37	-103.43
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000330075	0	39	-2.0	-107.52	369.34	6.82	-100.70
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000330076	0	39	-2.0	-114.16	362.58	6.37	-107.79
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000330077	0	42	-2.0	-111.70	371.87	6.87	-104.83
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000330078	0	43	-2.0	-111.69	388.02	5.80	-105.89
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000330079	0	39	-2.0	-98.92	363.81	6.86	-92.06
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000330080	0	39	-2.0	-107.42	368.78	6.63	-100.79
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000330081	0	40	-2.0	-109.40	365.50	5.88	-103.52
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000330082	0	39	-2.0	-104.26	371.32	6.74	-97.52
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000330083	0	39	-2.0	-97.45	353.56	6.22	-91.23
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000330084	0	39	-2.0	-108.58	357.09	6.52	-102.06
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000330085	0	38	-2.0	-116.26	361.28	7.53	-108.73
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000330086	0	36	-2.0	-113.36	341.19	5.70	-107.66
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000330087	0	39	-2.0	-102.50	362.51	6.34	-96.16
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000330088	0	42	-2.0	-118.07	378.59	7.80	-110.27
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000330089	0	35	-2.0	-107.64	334.52	3.74	-103.90
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000330090	0	40	-2.0	-101.51	365.75	5.47	-96.04
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000330091	0	33	-2.0	-97.92	337.66	4.66	-93.26
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000330092	0	43	-2.0	-103.94	383.67	7.57	-96.37
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000330093	0	43	-2.0	-106.04	381.64	7.55	-98.49
CCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000330094	0	39	-2.0	-103.84	359.66	5.66	-98.18
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000330095	1	39	-2.0	-107.31	361.44	4.60	-102.71
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000330097	1	39	-2.0	-110.21	356.90	4.56	-105.65
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300000330098	0	43	-2.0	-116.48	385.04	4.37	-112.11
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000330099	1	43	-2.0	-97.50	388.36	5.87	-91.63
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000330101	1	45	-2.0	-107.15	389.58	5.92	-101.23
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000330102	0	39	-2.0	-108.00	362.38	4.63	-103.37
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000330103	1	45	-2.0	-96.68	400.48	6.15	-90.53
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000330104	0	36	-2.0	-104.36	350.08	3.58	-100.78
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000330105	1	42	-2.0	-112.23	372.33	5.35	-106.88
COCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000330107	1	40	-2.0	-108.52	363.55	3.92	-104.60
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000330109	0	39	-2.0	-95.76	366.02	4.25	-91.51
COCCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000330111	0	36	-2.0	-105.54	348.55	3.60	-101.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCOC)C(F)=C1	REAL300000330113	1	45	-2.0	-110.98	387.05	6.29	-104.69
COCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000330114	0	39	-2.0	-104.81	359.91	3.71	-101.10
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000330115	0	43	-2.0	-106.50	385.88	3.66	-102.84
COCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000330116	1	39	-2.0	-108.52	365.50	4.46	-104.06
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000330117	1	39	-2.0	-97.15	361.42	4.61	-92.54
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000330118	0	36	-2.0	-99.10	349.17	3.70	-95.40
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000330119	1	39	-2.0	-100.94	363.30	4.63	-96.31
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000330120	0	39	-2.0	-96.63	362.37	4.64	-91.99
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000330121	0	40	-2.0	-111.56	366.61	2.27	-109.29
COCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000330121	1	40	-2.0	-104.46	365.71	3.15	-101.31
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000330122	1	42	-2.0	-100.95	379.08	5.35	-95.60
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000330123	1	42	-2.0	-105.31	366.97	5.21	-100.10
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCOC)C(F)=C2)C=C1C(=O)[O-]	REAL300000330127	1	45	-2.0	-111.43	391.14	5.75	-105.68
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCOC)C(F)=C2)C=C1C(=O)[O-]	REAL300000330128	1	43	-2.0	-109.72	384.93	4.79	-104.93
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000330130	0	39	-2.0	-109.65	360.56	4.61	-105.04
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000330131	0	38	-2.0	-101.24	353.88	2.62	-98.62
COCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000330132	0	43	-2.0	-97.00	385.10	4.36	-92.64
COCCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000330133	0	36	-2.0	-98.22	357.05	3.55	-94.67
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCCOC)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000330134	0	42	-2.0	-104.93	379.03	4.56	-100.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=CC=C1F	REAL300000330135	1	35	-2.0	-108.24	329.01	5.06	-103.18
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=C2)C=C1	REAL300000330136	0	43	-2.0	-108.98	384.10	6.12	-102.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1	REAL300000330137	1	35	-2.0	-100.76	324.45	5.04	-95.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330138	1	35	-2.0	-110.74	324.49	5.03	-105.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=C2)C=C1	REAL300000330139	0	39	-2.0	-115.95	352.62	4.83	-111.12
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1	REAL300000330140	1	39	-2.0	-100.34	355.93	6.33	-94.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1C(=O)[O-]	REAL300000330141	1	38	-2.0	-113.20	344.56	5.68	-107.52
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330142	0	35	-2.0	-106.14	337.55	5.61	-100.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=CC=C1Cl	REAL300000330143	1	35	-2.0	-106.51	336.98	5.43	-101.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1C	REAL300000330144	1	41	-2.0	-113.45	357.14	6.39	-107.06
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330145	0	35	-2.0	-107.74	329.96	5.10	-102.64
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1	REAL300000330146	1	41	-2.0	-99.81	368.04	6.62	-93.19
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330147	0	32	-2.0	-104.96	317.66	4.05	-100.91
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=C2)C=C1	REAL300000330148	1	38	-2.0	-111.39	339.91	5.82	-105.57
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1	REAL300000330149	1	39	-2.0	-99.07	355.54	5.32	-93.75
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1C(=O)[O-]	REAL300000330150	0	36	-2.0	-109.22	331.13	4.38	-104.84
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330152	0	35	-2.0	-101.16	333.60	4.72	-96.44
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1C(=O)[O-]	REAL300000330153	1	41	-2.0	-114.00	359.93	6.47	-107.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=CS1	REAL300000330154	0	32	-2.0	-106.45	316.13	4.08	-102.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1C(=O)[O-]	REAL300000330155	1	39	-2.0	-116.56	351.77	5.10	-111.46
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330156	1	45	-2.0	-115.11	379.71	7.66	-107.45
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=C2)C=C1	REAL300000330157	1	44	-2.0	-113.56	378.38	7.06	-106.50
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=C2)C=C1	REAL300000330158	1	41	-2.0	-109.76	354.62	6.76	-103.00
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=C2)C=C1	REAL300000330159	0	42	-2.0	-116.78	374.91	5.59	-111.19
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NNC=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300000330160	0	38	-2.0	-112.70	359.42	5.48	-107.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300000330160	1	37	-3.0	-186.29	352.88	5.60	-180.69
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330161	1	42	-2.0	-115.47	368.73	6.94	-108.53
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000330162	0	35	-2.0	-104.47	327.51	4.18	-100.29
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330163	0	39	-2.0	-111.95	353.45	4.12	-107.83
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NNC=C4)C=C3)C=C2C1	REAL300000330164	1	43	-2.0	-97.83	378.11	5.65	-92.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C(Cl)C=C1F	REAL300000330165	0	35	-2.0	-102.86	342.06	5.63	-97.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=CC=C1OCC(=O)[O-]	REAL300000330166	1	42	-2.0	-96.98	375.63	6.03	-90.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=C2)C=C1	REAL300000330167	1	38	-2.0	-102.04	345.18	5.86	-96.18
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1F	REAL300000330168	1	39	-2.0	-96.01	361.77	5.38	-90.63
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1C(=O)[O-]	REAL300000330169	1	42	-2.0	-117.28	373.61	6.01	-111.27
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000330170	0	35	-2.0	-107.86	333.09	4.92	-102.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C(Cl)=C1	REAL300000330171	0	35	-2.0	-95.94	337.53	5.60	-90.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1F	REAL300000330172	1	35	-2.0	-97.81	329.01	5.07	-92.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)S1	REAL300000330173	0	32	-2.0	-99.96	316.74	4.16	-95.80
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330174	1	35	-2.0	-101.53	330.89	5.10	-96.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1F	REAL300000330175	0	38	-2.0	-109.09	350.25	5.74	-103.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C(F)=C1	REAL300000330176	0	35	-2.0	-97.74	329.94	5.11	-92.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1Cl	REAL300000330177	1	35	-2.0	-95.88	336.98	5.44	-90.44
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=C2)C=C1	REAL300000330178	1	38	-2.0	-103.67	353.92	6.25	-97.42
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1	REAL300000330179	1	43	-2.0	-94.60	388.22	6.45	-88.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=CC(F)=C1F	REAL300000330180	1	35	-2.0	-99.76	335.30	5.13	-94.63
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330181	0	37	-2.0	-98.18	352.66	5.70	-92.48
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330182	0	36	-2.0	-110.21	334.19	2.75	-107.46
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330182	1	36	-2.0	-109.33	333.41	3.54	-105.79
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1	REAL300000330183	1	38	-2.0	-104.75	346.64	5.82	-98.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=CC(Cl)=C1F	REAL300000330184	1	35	-2.0	-101.21	345.19	5.57	-95.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=C2)C=C1	REAL300000330185	1	38	-2.0	-108.30	338.31	5.77	-102.53
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000330186	1	38	-2.0	-109.59	349.31	5.69	-103.90
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=C2)C=C1	REAL300000330187	1	38	-2.0	-98.59	339.89	5.82	-92.77
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000330188	1	41	-2.0	-115.09	361.97	6.23	-108.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000330189	0	37	-2.0	-109.03	351.05	6.12	-102.91
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330190	0	35	-2.0	-99.38	336.22	5.16	-94.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C(C)=C1C(=O)[O-]	REAL300000330191	1	41	-2.0	-111.57	357.86	6.44	-105.13
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1C(=O)[O-]	REAL300000330192	0	38	-2.0	-108.79	345.95	5.63	-103.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1Cl	REAL300000330193	0	38	-2.0	-107.79	356.22	6.17	-101.62
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330194	0	38	-2.0	-115.89	349.51	5.73	-110.16
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1C(=O)[O-]	REAL300000330195	1	41	-2.0	-112.49	358.80	6.22	-106.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1CC(=O)[O-]	REAL300000330196	1	42	-2.0	-113.40	374.95	5.17	-108.23
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=C2)C=C1	REAL300000330197	1	38	-2.0	-100.42	350.74	6.22	-94.20
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000330198	1	38	-2.0	-108.35	355.70	6.00	-102.35
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1C(=O)[O-]	REAL300000330199	0	39	-2.0	-110.47	352.50	5.26	-105.21
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1C(=O)[O-]	REAL300000330201	1	38	-2.0	-105.23	358.26	6.10	-99.13
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300000330202	1	38	-2.0	-98.43	340.48	5.58	-92.85
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=C2)C=C1	REAL300000330203	1	38	-2.0	-108.74	344.43	5.86	-102.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1[N+](=O)[O-]	REAL300000330204	0	37	-2.0	-118.35	348.20	6.89	-111.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1F	REAL300000330205	0	35	-2.0	-115.14	328.13	5.07	-110.07
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C1C(=O)[O-]	REAL300000330206	1	38	-2.0	-103.39	349.44	5.71	-97.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=CC2=CC=CC=C21	REAL300000330207	1	41	-2.0	-118.94	365.52	7.15	-111.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C1	REAL300000330208	0	34	-2.0	-108.35	320.69	3.16	-105.19
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=C2)C=C1	REAL300000330209	0	39	-2.0	-102.50	352.68	4.84	-97.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)=C(Cl)O1	REAL300000330210	0	32	-2.0	-98.42	324.62	4.01	-94.41
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NNC=C4)C=C3)C=C2)CC1	REAL300000330211	1	42	-2.0	-107.66	370.60	6.92	-100.74
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NNC=C4)C=C3)C=C2C1	REAL300000330212	1	42	-2.0	-106.94	369.92	6.92	-100.02
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000330213	0	38	-2.0	-104.28	346.60	5.03	-99.25
CCN(C1=CC=CC(Cl)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000330241	0	37	-2.0	-108.74	356.62	8.46	-100.28
CCN(C1=CC=CC(Cl)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000330264	0	35	-2.0	-105.79	329.62	6.59	-99.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(OCC2CCCO2)=C1	REAL300000330296	0	46	-2.0	-107.50	395.24	6.41	-101.09
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(OCC2CCCO2)=C1	REAL300000330297	0	46	-2.0	-120.29	395.25	6.40	-113.89
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(OCC2CCCO2)=C1	REAL300000330298	0	43	-2.0	-114.40	388.43	5.41	-108.99
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(OCC2CCCO2)=C1	REAL300000330299	0	47	-2.0	-118.62	401.89	5.76	-112.86
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(OCC2CCCO2)=C1	REAL300000330300	0	43	-2.0	-115.77	386.90	5.43	-110.34
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OCC2CCCO2)C=C(C(=O)[O-])O1	REAL300000330301	0	46	-2.0	-112.82	398.26	5.54	-107.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(OCC2CCCO2)=C1	REAL300000330302	0	43	-2.0	-109.61	387.50	5.53	-104.08
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(OCC2CCCO2)=C1	REAL300000330303	0	45	-2.0	-119.48	391.46	4.51	-114.97
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000330307	0	45	-2.0	-113.45	383.88	6.46	-106.99
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000330310	0	41	-2.0	-102.98	368.82	7.23	-95.75
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000330313	0	41	-2.0	-104.50	361.22	6.72	-97.78
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000330315	0	38	-2.0	-101.45	348.93	5.67	-95.78
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000330318	1	42	-2.0	-105.98	362.39	6.01	-99.97
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000330320	0	41	-2.0	-97.56	364.87	6.35	-91.21
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000330322	1	38	-2.0	-102.87	347.39	5.69	-97.18
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000330326	0	48	-2.0	-113.67	406.18	7.21	-106.46
CCC(C)OC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000330327	0	44	-2.0	-109.55	387.43	7.22	-102.33
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000330329	0	41	-2.0	-101.73	358.78	5.79	-95.94
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000330330	0	45	-2.0	-108.34	384.71	5.75	-102.59
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000330332	1	44	-2.0	-99.37	376.45	7.47	-91.90
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000330335	1	41	-2.0	-105.31	364.37	6.54	-98.77
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000330336	1	41	-2.0	-92.27	368.80	7.22	-85.05
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000330338	0	38	-2.0	-96.70	348.00	5.78	-90.92
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000330339	1	41	-2.0	-98.03	362.15	6.73	-91.30
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000330340	0	44	-2.0	-105.89	381.50	7.36	-98.53
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000330341	0	41	-2.0	-94.02	361.21	6.73	-87.29
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000330344	1	41	-2.0	-96.24	366.56	6.75	-89.49
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000330345	1	43	-2.0	-92.11	383.93	7.33	-84.78
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000330346	0	42	-2.0	-107.96	365.46	4.37	-103.59
CCC(C)OC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000330346	1	42	-2.0	-105.42	364.70	5.15	-100.27
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000330352	1	43	-2.0	-105.86	382.89	7.77	-98.09
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000330353	0	41	-2.0	-96.06	367.50	6.78	-89.28
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000330355	0	44	-2.0	-105.61	376.84	7.25	-98.36
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000330356	0	44	-2.0	-104.76	387.51	7.80	-96.96
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000330357	0	44	-2.0	-111.97	380.76	7.35	-104.62
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000330362	1	45	-2.0	-107.30	383.76	6.87	-100.43
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000330366	0	43	-2.0	-114.52	379.49	8.51	-106.01
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000330367	0	41	-2.0	-111.38	359.40	6.69	-104.69
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000330369	1	47	-2.0	-115.53	396.77	8.78	-106.75
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000330370	0	40	-2.0	-104.91	351.96	4.77	-100.14
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000330371	0	45	-2.0	-99.43	383.95	6.45	-92.98
CCC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000330372	0	38	-2.0	-95.44	355.89	5.64	-89.80
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)CC)C=C2)C=C(C(=O)[O-])O1	REAL300000330375	0	44	-2.0	-101.68	377.86	6.65	-95.03
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=CC(OC(F)F)=CC=C32)=C1	REAL300000330385	0	40	-2.0	-116.91	351.50	5.83	-111.08
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000330391	1	41	-2.0	-111.92	367.33	6.04	-105.88
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000330392	1	41	-2.0	-103.63	362.82	6.00	-97.63
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000330393	1	41	-2.0	-114.78	362.82	5.99	-108.79
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(=O)N(C)C	REAL300000330394	0	45	-2.0	-121.27	390.94	5.80	-115.47
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000330395	1	45	-2.0	-103.97	395.30	7.31	-96.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000330396	1	44	-2.0	-116.50	379.23	6.53	-109.97
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000330397	0	41	-2.0	-111.80	376.68	6.56	-105.24
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000330398	1	41	-2.0	-111.12	376.12	6.38	-104.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)=C1C	REAL300000330399	1	47	-2.0	-117.69	395.91	7.32	-110.37
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000330400	0	41	-2.0	-114.82	369.09	6.05	-108.77
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000330401	1	47	-2.0	-103.32	406.78	7.59	-95.73
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000330402	0	38	-2.0	-109.82	356.38	5.01	-104.81
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(=O)N(C)C	REAL300000330403	1	44	-2.0	-116.29	379.05	6.76	-109.53
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000330404	1	45	-2.0	-102.27	394.27	6.28	-95.99
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000330405	0	42	-2.0	-113.44	369.44	5.35	-108.09
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)=C1	REAL300000330407	0	41	-2.0	-108.14	371.93	5.69	-102.45
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000330408	1	47	-2.0	-117.30	394.66	7.32	-109.98
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000330409	0	38	-2.0	-111.05	354.86	5.03	-106.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000330410	1	45	-2.0	-121.15	390.89	6.05	-115.10
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(=O)N(C)C	REAL300000330411	1	47	-2.0	-113.68	383.93	7.37	-106.31
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000330412	0	41	-2.0	-108.68	366.21	5.13	-103.55
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)=C1	REAL300000330413	0	45	-2.0	-119.14	391.77	5.10	-114.04
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(=O)N(C)C	REAL300000330414	1	44	-2.0	-106.18	383.55	6.81	-99.37
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)C=C(C(=O)[O-])S1	REAL300000330415	0	41	-2.0	-112.36	371.83	5.89	-106.47
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000330416	0	41	-2.0	-101.05	376.91	6.58	-94.47
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000330417	1	41	-2.0	-103.82	367.72	6.04	-97.78
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000330418	0	38	-2.0	-106.43	355.08	5.12	-101.31
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000330419	1	41	-2.0	-109.99	369.23	6.06	-103.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)=C1F	REAL300000330420	0	44	-2.0	-116.05	388.96	6.69	-109.36
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000330421	0	41	-2.0	-103.89	368.30	6.07	-97.82
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000330422	1	41	-2.0	-101.74	376.34	6.42	-95.32
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000330423	1	41	-2.0	-104.02	374.02	6.09	-97.93
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000330424	0	42	-2.0	-115.26	372.91	3.71	-111.55
CN(C)C(=O)CC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000330424	1	42	-2.0	-121.93	367.03	4.02	-117.91
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000330425	1	44	-2.0	-108.47	385.00	6.78	-101.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(=O)N(C)C	REAL300000330426	1	44	-2.0	-114.39	373.24	6.64	-107.75
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)=CC(C(=O)[O-])=C1F	REAL300000330427	1	44	-2.0	-118.97	388.03	6.65	-112.32
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(=O)N(C)C	REAL300000330428	1	44	-2.0	-102.95	378.63	6.77	-96.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)=CC(C(=O)[O-])=C1C	REAL300000330429	1	47	-2.0	-124.05	396.11	7.07	-116.98
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000330430	0	41	-2.0	-106.27	374.95	6.13	-100.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)C(C)=C1C(=O)[O-]	REAL300000330431	1	47	-2.0	-118.25	397.68	7.39	-110.86
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000330432	0	44	-2.0	-115.70	384.68	6.60	-109.10
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)=C1	REAL300000330433	0	44	-2.0	-125.48	388.64	6.68	-118.80
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000330434	1	47	-2.0	-117.34	397.79	7.20	-110.14
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000330435	0	45	-2.0	-114.68	390.81	6.22	-108.46
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)=CC=C1C(=O)[O-]	REAL300000330436	1	44	-2.0	-105.43	383.26	6.65	-98.78
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(=O)N(C)C	REAL300000330437	1	44	-2.0	-112.77	383.15	6.81	-105.96
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000330438	0	41	-2.0	-123.61	367.49	6.04	-117.57
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000330439	1	44	-2.0	-107.42	385.01	6.59	-100.83
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000330440	0	40	-2.0	-118.09	359.83	4.10	-113.99
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(=O)N(C)C	REAL300000330441	0	45	-2.0	-107.51	391.01	5.80	-101.71
CN(C)C(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000330442	0	38	-2.0	-103.95	363.71	4.96	-98.99
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000330443	0	44	-2.0	-107.64	383.43	5.92	-101.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=CC=C1F	REAL300000330444	1	36	-2.0	-109.17	333.49	5.19	-103.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1	REAL300000330445	1	36	-2.0	-99.29	328.92	5.17	-94.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C1	REAL300000330446	1	36	-2.0	-111.58	328.94	5.16	-106.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CNC2=O)=C1	REAL300000330447	0	40	-2.0	-117.55	357.07	4.96	-112.59
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1	REAL300000330448	1	40	-2.0	-99.29	360.40	6.45	-92.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1C(=O)[O-]	REAL300000330449	1	39	-2.0	-113.98	349.00	5.80	-108.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C1C	REAL300000330450	1	42	-2.0	-115.05	361.33	6.47	-108.58
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C1	REAL300000330451	0	36	-2.0	-109.14	334.41	5.22	-103.92
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1	REAL300000330452	1	42	-2.0	-110.56	372.50	6.75	-103.81
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C1	REAL300000330453	0	33	-2.0	-105.88	322.12	4.17	-101.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CNC2=O)=C1	REAL300000330454	1	39	-2.0	-113.20	344.37	5.94	-107.26
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1	REAL300000330455	1	40	-2.0	-97.90	360.01	5.43	-92.47
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1C(=O)[O-]	REAL300000330456	0	37	-2.0	-109.94	335.58	4.51	-105.43
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C1	REAL300000330458	0	36	-2.0	-101.97	338.05	4.84	-97.13
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1C(=O)[O-]	REAL300000330459	1	42	-2.0	-114.72	360.00	6.51	-108.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=CS1	REAL300000330460	0	33	-2.0	-107.36	320.58	4.19	-103.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1C(=O)[O-]	REAL300000330461	1	40	-2.0	-117.47	356.22	5.23	-112.24
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CNC2=O)=C1	REAL300000330462	1	42	-2.0	-111.87	359.09	6.88	-104.99
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C1	REAL300000330463	1	43	-2.0	-117.19	373.18	7.05	-110.14
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000330464	0	36	-2.0	-105.94	331.94	4.29	-101.65
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C1	REAL300000330465	0	40	-2.0	-112.38	357.92	4.24	-108.14
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CNC2=O)=C1	REAL300000330466	1	39	-2.0	-103.62	349.65	5.98	-97.64
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C(C(=O)[O-])S1	REAL300000330467	0	36	-2.0	-109.61	337.53	5.05	-104.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C(Cl)=C1	REAL300000330468	0	36	-2.0	-96.97	341.98	5.72	-91.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1F	REAL300000330469	1	36	-2.0	-98.84	333.46	5.20	-93.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)S1	REAL300000330470	0	33	-2.0	-100.83	321.20	4.29	-96.54
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C1	REAL300000330471	1	36	-2.0	-102.52	335.34	5.22	-97.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C1F	REAL300000330472	0	39	-2.0	-110.48	354.69	5.86	-104.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C(F)=C1	REAL300000330473	0	36	-2.0	-98.53	334.40	5.23	-93.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1Cl	REAL300000330474	1	36	-2.0	-96.91	341.43	5.56	-91.35
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C1	REAL300000330475	0	37	-2.0	-112.25	338.65	2.87	-109.38
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(N3C=CNC3=O)=C2)=C1	REAL300000330475	1	37	-2.0	-110.99	337.84	3.67	-107.32
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1	REAL300000330476	1	39	-2.0	-115.23	351.10	5.94	-109.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CNC2=O)=C1	REAL300000330477	1	39	-2.0	-107.41	339.00	5.80	-101.61
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000330478	1	39	-2.0	-110.40	353.77	5.81	-104.59
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CNC2=O)=C1	REAL300000330479	1	39	-2.0	-99.77	344.35	5.93	-93.84
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000330480	1	42	-2.0	-115.88	365.73	6.33	-109.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C1	REAL300000330481	0	36	-2.0	-100.66	340.69	5.28	-95.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C(C)=C1C(=O)[O-]	REAL300000330482	1	42	-2.0	-111.61	363.41	6.55	-105.06
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1C(=O)[O-]	REAL300000330483	0	39	-2.0	-111.37	354.25	5.86	-105.51
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C1	REAL300000330484	0	39	-2.0	-115.71	353.95	5.85	-109.86
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1C(=O)[O-]	REAL300000330485	1	42	-2.0	-113.37	363.18	6.35	-107.02
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1C(=O)[O-]	REAL300000330486	0	40	-2.0	-111.24	356.95	5.38	-105.86
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=CC=C1C(=O)[O-]	REAL300000330487	1	39	-2.0	-99.41	344.94	5.70	-93.71
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CNC2=O)=C1	REAL300000330488	1	39	-2.0	-110.94	348.47	6.00	-104.94
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C1F	REAL300000330489	0	36	-2.0	-115.00	332.55	5.18	-109.82
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C1C(=O)[O-]	REAL300000330490	1	39	-2.0	-104.20	353.87	5.84	-98.36
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C1	REAL300000330491	0	35	-2.0	-109.34	325.92	3.21	-106.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CNC2=O)=C1	REAL300000330492	0	40	-2.0	-103.53	357.13	4.95	-98.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)=C(Cl)O1	REAL300000330493	0	33	-2.0	-99.68	329.08	4.13	-95.55
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4C=CNC4=O)=C3)C=C2)CC1	REAL300000330494	1	43	-2.0	-106.20	375.06	7.05	-99.15
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4C=CNC4=O)=C3)C=C2C1	REAL300000330495	1	43	-2.0	-108.41	374.37	7.05	-101.36
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CNC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000330496	0	39	-2.0	-105.91	351.07	5.14	-100.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=CC=C1F	REAL300000330497	0	36	-2.0	-107.87	339.10	2.26	-105.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1	REAL300000330498	0	36	-2.0	-97.37	334.55	2.24	-95.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1	REAL300000330499	0	36	-2.0	-109.30	334.57	2.23	-107.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCCO	REAL300000330500	0	40	-2.0	-114.42	362.71	2.03	-112.39
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1	REAL300000330501	0	40	-2.0	-96.85	366.01	3.53	-93.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1C(=O)[O-]	REAL300000330502	0	39	-2.0	-110.49	350.59	2.77	-107.72
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1	REAL300000330503	0	36	-2.0	-104.73	347.63	2.81	-101.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=CC=C1Cl	REAL300000330504	0	36	-2.0	-106.32	347.07	2.62	-103.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1C	REAL300000330505	0	42	-2.0	-111.46	367.66	3.56	-107.90
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1	REAL300000330506	0	36	-2.0	-106.64	340.04	2.29	-104.35
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1	REAL300000330507	0	42	-2.0	-96.02	378.14	3.81	-92.21
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1	REAL300000330508	0	33	-2.0	-103.70	327.75	1.24	-102.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCCO	REAL300000330509	0	39	-2.0	-109.64	350.00	3.01	-106.63
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1	REAL300000330510	0	40	-2.0	-95.43	365.63	2.52	-92.91
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1C(=O)[O-]	REAL300000330511	0	37	-2.0	-107.74	341.21	1.58	-106.16
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCCO	REAL300000330512	1	40	-2.0	-109.90	358.77	1.04	-108.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1	REAL300000330513	0	36	-2.0	-100.50	343.70	1.91	-98.59
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1C(=O)[O-]	REAL300000330514	0	42	-2.0	-110.87	366.01	3.55	-107.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=CS1	REAL300000330515	0	33	-2.0	-105.98	326.21	1.26	-104.72
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1C(=O)[O-]	REAL300000330516	0	40	-2.0	-116.40	361.84	2.30	-114.10
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCCO	REAL300000330517	0	45	-2.0	-111.64	388.46	4.24	-107.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCCO	REAL300000330518	0	42	-2.0	-107.36	364.69	3.96	-103.40
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCCO	REAL300000330519	0	43	-2.0	-115.14	385.00	2.80	-112.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=CC(C(=O)[O-])=C1	REAL300000330520	0	38	-3.0	-185.30	362.97	2.80	-182.50
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C=C2OCCO)=CC(C(=O)[O-])=C1	REAL300000330520	1	39	-2.0	-112.43	362.98	2.74	-109.69
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1	REAL300000330521	0	43	-2.0	-113.95	378.81	4.13	-109.82
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C(C(=O)[O-])O1	REAL300000330522	0	36	-2.0	-102.98	337.57	1.37	-101.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1	REAL300000330523	0	40	-2.0	-111.79	363.48	1.31	-110.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=CC=C1OCC(=O)[O-]	REAL300000330524	0	43	-2.0	-95.97	385.72	3.21	-92.76
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCCO	REAL300000330525	0	39	-2.0	-100.47	355.27	3.04	-97.43
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1C(=O)[O-]	REAL300000330526	0	43	-2.0	-115.71	383.70	3.21	-112.50
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C(C(=O)[O-])S1	REAL300000330527	0	36	-2.0	-106.24	343.19	2.12	-104.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C(Cl)=C1	REAL300000330528	0	36	-2.0	-94.89	347.61	2.80	-92.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1F	REAL300000330529	0	36	-2.0	-96.98	339.08	2.27	-94.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)S1	REAL300000330530	0	33	-2.0	-99.30	326.82	1.35	-97.95
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1	REAL300000330531	0	36	-2.0	-101.23	340.98	2.29	-98.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1F	REAL300000330532	0	39	-2.0	-108.13	360.31	2.93	-105.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C(F)=C1	REAL300000330533	0	36	-2.0	-96.99	340.03	2.30	-94.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1Cl	REAL300000330534	0	36	-2.0	-94.97	347.05	2.63	-92.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=CC(F)=C1F	REAL300000330535	0	36	-2.0	-98.50	345.38	2.32	-96.18
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1	REAL300000330536	0	37	-2.0	-108.28	344.27	-0.07	-108.35
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1	REAL300000330537	0	39	-2.0	-100.81	356.74	3.01	-97.80
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCCO	REAL300000330538	0	39	-2.0	-106.70	344.60	2.86	-103.84
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=CC(C(=O)[O-])=C1F	REAL300000330539	0	39	-2.0	-109.27	359.40	2.88	-106.39
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCCO	REAL300000330540	0	39	-2.0	-97.15	349.97	3.00	-94.15
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=CC(C(=O)[O-])=C1C	REAL300000330541	0	42	-2.0	-112.53	367.44	3.30	-109.23
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1	REAL300000330542	0	36	-2.0	-98.61	346.30	2.36	-96.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C(C)=C1C(=O)[O-]	REAL300000330543	0	42	-2.0	-110.79	369.04	3.62	-107.17
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1C(=O)[O-]	REAL300000330544	0	39	-2.0	-107.83	356.04	2.83	-105.00
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1	REAL300000330545	0	39	-2.0	-115.68	359.60	2.92	-112.76
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1C(=O)[O-]	REAL300000330546	0	42	-2.0	-112.42	368.53	3.41	-109.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1CC(=O)[O-]	REAL300000330547	0	43	-2.0	-111.82	385.02	2.36	-109.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1C(=O)[O-]	REAL300000330548	0	40	-2.0	-109.03	362.58	2.44	-106.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=CC=C1C(=O)[O-]	REAL300000330549	0	39	-2.0	-98.98	354.62	2.88	-96.10
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCCO	REAL300000330550	0	39	-2.0	-106.92	354.51	3.05	-103.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1F	REAL300000330551	0	36	-2.0	-114.87	338.23	2.26	-112.61
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C1C(=O)[O-]	REAL300000330552	0	39	-2.0	-101.13	355.73	2.80	-98.33
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C1	REAL300000330553	0	35	-2.0	-108.08	330.77	0.34	-107.74
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCCO	REAL300000330554	0	40	-2.0	-101.32	362.77	2.03	-99.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)=C(Cl)O1	REAL300000330555	0	33	-2.0	-97.27	334.67	1.19	-96.08
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3OCCO)C=C2)CC1	REAL300000330556	0	43	-2.0	-103.48	380.69	4.11	-99.37
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3OCCO)C=C2C1	REAL300000330557	0	43	-2.0	-107.04	378.65	4.09	-102.95
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCCO)C=C(C(=O)[O-])O1	REAL300000330558	0	39	-2.0	-102.45	356.70	2.22	-100.23
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3C#N)C=C2)C=C1C(=O)[O-]	REAL300000330561	1	41	-2.0	-104.80	382.21	7.65	-97.15
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3C#N)C=C2)C=C(C(=O)[O-])O1	REAL300000330562	0	40	-2.0	-100.78	378.60	7.43	-93.35
N#CC1=CC=CC=C1OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000330563	0	39	-2.0	-111.09	371.70	6.35	-104.74
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000330564	0	39	-2.0	-86.20	371.34	3.60	-82.60
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000330565	0	32	-2.0	-101.76	319.41	5.04	-96.72
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC	REAL300000330566	0	40	-2.0	-103.19	374.48	6.09	-97.10
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000330567	0	32	-2.0	-92.60	314.86	5.01	-87.59
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000330568	0	32	-2.0	-104.14	314.88	5.01	-99.13
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC	REAL300000330569	0	36	-2.0	-110.11	343.00	4.80	-105.31
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000330570	0	36	-2.0	-92.08	346.33	6.30	-85.78
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000330571	0	35	-2.0	-105.35	330.89	5.54	-99.81
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000330572	0	32	-2.0	-100.31	327.95	5.58	-94.73
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000330573	0	32	-2.0	-100.15	327.39	5.40	-94.75
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000330574	0	38	-2.0	-107.98	347.54	6.35	-101.63
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000330575	0	32	-2.0	-102.08	320.33	5.06	-97.02
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000330576	0	38	-2.0	-91.38	358.45	6.59	-84.79
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000330577	0	29	-2.0	-99.72	308.06	4.03	-95.69
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000330578	0	35	-2.0	-105.79	330.30	5.78	-100.01
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000330579	0	36	-2.0	-90.71	345.95	5.29	-85.42
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000330580	0	33	-2.0	-103.62	321.52	4.36	-99.26
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000330581	0	36	-2.0	-106.38	338.65	3.85	-102.53
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000330582	0	32	-2.0	-95.21	323.98	4.69	-90.52
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000330583	0	38	-2.0	-106.93	346.33	6.32	-100.61
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000330584	0	29	-2.0	-101.04	306.53	4.04	-97.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC)C=C1C(=O)[O-]	REAL300000330585	0	36	-2.0	-111.19	342.16	5.08	-106.11
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000330586	0	42	-2.0	-109.59	370.10	7.64	-101.95
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000330587	0	41	-2.0	-107.81	368.74	7.01	-100.80
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC	REAL300000330588	0	38	-2.0	-103.86	337.38	6.50	-97.36
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC	REAL300000330589	0	39	-2.0	-110.93	365.29	5.57	-105.36
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000330590	0	34	-3.0	-180.11	343.27	5.58	-174.53
COC1=C(Cl)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000330590	1	35	-2.0	-104.06	343.25	5.51	-98.55
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000330591	0	39	-2.0	-108.70	359.12	6.91	-101.79
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000330592	0	32	-2.0	-98.18	317.88	4.15	-94.03
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000330593	0	38	-2.0	-110.10	357.04	4.78	-105.32
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000330594	0	36	-2.0	-105.43	343.79	4.09	-101.34
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000330595	0	40	-2.0	-90.86	367.80	5.61	-85.25
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000330596	0	32	-2.0	-97.17	332.46	5.62	-91.55
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000330597	0	39	-2.0	-91.15	366.03	6.00	-85.15
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000330598	0	35	-2.0	-96.44	335.58	5.82	-90.62
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000330599	0	36	-2.0	-90.18	352.16	5.36	-84.82
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC)C=C1C(=O)[O-]	REAL300000330600	0	39	-2.0	-110.65	364.02	5.99	-104.66
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000330601	0	32	-2.0	-102.16	324.56	4.89	-97.27
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000330602	0	32	-2.0	-90.11	327.92	5.58	-84.53
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000330603	0	32	-2.0	-92.04	319.38	5.05	-86.99
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000330604	0	29	-2.0	-94.08	307.13	4.13	-89.95
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000330605	0	32	-2.0	-95.32	321.29	5.08	-90.24
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000330606	0	35	-2.0	-102.92	340.62	5.71	-97.21
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000330607	0	32	-2.0	-92.20	320.33	5.08	-87.12
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000330608	0	32	-2.0	-90.11	327.36	5.41	-84.70
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000330609	0	35	-2.0	-98.05	344.31	6.19	-91.86
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000330610	0	40	-2.0	-88.83	378.61	6.41	-82.42
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000330611	0	32	-2.0	-94.46	325.70	5.10	-89.36
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000330612	0	34	-2.0	-90.42	343.06	5.68	-84.74
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000330613	0	33	-2.0	-104.35	324.59	2.70	-101.65
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000330614	0	35	-2.0	-96.94	337.05	5.79	-91.15
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000330615	0	32	-2.0	-95.90	335.58	5.54	-90.36
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000330616	0	35	-2.0	-101.58	324.91	5.64	-95.94
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000330617	0	35	-2.0	-103.10	339.71	5.66	-97.44
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000330618	0	35	-2.0	-92.48	330.29	5.79	-86.69
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000330619	0	38	-2.0	-108.33	348.33	6.10	-102.23
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000330620	0	34	-2.0	-103.92	341.43	6.11	-97.81
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000330621	0	32	-2.0	-93.45	326.60	5.14	-88.31
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000330622	0	38	-2.0	-105.01	348.40	6.41	-98.60
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000330623	0	35	-2.0	-104.33	340.19	5.70	-98.63
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000330624	0	35	-2.0	-101.38	346.65	6.15	-95.23
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000330625	0	35	-2.0	-109.22	339.90	5.70	-103.52
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC)C=C1C(=O)[O-]	REAL300000330626	0	38	-2.0	-105.96	349.19	6.20	-99.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC)C=C1CC(=O)[O-]	REAL300000330627	0	39	-2.0	-105.68	365.34	5.14	-100.54
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000330628	0	35	-2.0	-94.05	341.13	6.20	-87.85
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000330629	0	35	-2.0	-101.81	346.10	5.97	-95.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC)C=C1C(=O)[O-]	REAL300000330630	0	36	-2.0	-104.02	342.82	5.21	-98.81
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000330631	0	44	-2.0	-104.65	380.02	7.88	-96.77
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000330632	0	35	-2.0	-98.67	344.74	5.98	-92.69
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000330633	0	35	-2.0	-92.71	330.88	5.56	-87.15
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000330634	0	35	-2.0	-103.59	334.41	5.85	-97.74
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000330635	0	34	-2.0	-110.71	336.97	6.79	-103.92
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000330636	0	32	-2.0	-108.40	318.51	5.04	-103.36
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000330637	0	35	-2.0	-97.03	336.04	5.58	-91.45
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000330638	0	38	-2.0	-112.31	355.91	7.13	-105.18
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000330639	0	31	-2.0	-101.60	311.86	3.08	-98.52
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC	REAL300000330640	0	36	-2.0	-96.47	343.07	4.81	-91.66
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000330641	0	29	-2.0	-92.49	314.97	3.99	-88.50
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000330642	0	39	-2.0	-99.09	359.46	6.85	-92.24
COC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000330643	0	39	-2.0	-94.10	359.95	6.89	-87.21
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC)C=C(C(=O)[O-])O1	REAL300000330644	0	35	-2.0	-97.76	337.00	5.00	-92.76
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=CC=CC(OC(F)F)=C32)=C1	REAL300000330654	0	40	-2.0	-110.55	336.25	6.34	-104.21
CN1C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CC1=O	REAL300000330688	0	34	-2.0	-110.50	314.59	3.94	-106.56
CN1C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC1=O	REAL300000330717	0	32	-2.0	-102.54	294.86	1.98	-100.56
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CC1=O	REAL300000330725	1	31	-2.0	-90.63	302.52	3.89	-86.74
CN1C=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=CC1=O	REAL300000330726	1	28	-2.0	-89.27	303.34	3.47	-85.80
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=CC1=O	REAL300000330739	0	31	-2.0	-89.68	315.98	4.34	-85.34
CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC1=O	REAL300000330752	1	28	-2.0	-90.38	290.90	2.76	-87.62
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330758	1	37	-2.0	-124.78	352.29	5.13	-119.65
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330759	1	37	-2.0	-120.26	352.28	5.13	-115.13
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330760	0	37	-2.0	-137.27	349.59	5.04	-132.23
COC1=CC([N-]S(=O)(=O)C2=C(C)ON=C2C)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330761	0	38	-2.0	-119.36	344.56	3.69	-115.67
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330762	1	39	-2.0	-130.98	352.88	5.41	-125.57
COC1=CC([N-]S(=O)(=O)C2=CC=CS2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330764	0	33	-2.0	-127.25	323.40	3.74	-123.51
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330765	1	39	-2.0	-130.29	352.88	5.42	-124.87
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330766	1	36	-2.0	-125.84	337.88	4.81	-121.03
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330767	1	36	-2.0	-129.83	331.47	4.74	-125.09
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)S2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330769	0	36	-2.0	-128.88	345.30	4.54	-124.34
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330771	1	36	-2.0	-121.47	337.88	4.81	-116.66
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330772	0	36	-2.0	-134.88	336.95	4.80	-130.08
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330773	0	36	-2.0	-125.56	336.02	2.45	-123.11
COC1=CC([N-]S(=O)(=O)C2=CNN=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330774	0	33	-2.0	-122.29	313.06	1.14	-121.15
COC1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330775	0	35	-2.0	-119.35	332.88	3.02	-116.33
COC1=CC([N-]S(=O)(=O)C2=CN(C)C=N2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330776	0	36	-2.0	-137.20	335.49	3.84	-133.36
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330777	0	36	-2.0	-116.61	347.41	3.26	-113.35
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C)=N2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330778	0	39	-2.0	-139.35	355.00	3.64	-135.71
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC(F)F)C=C2C(=O)[O-])C=N1	REAL300000330779	0	39	-2.0	-125.98	357.55	3.31	-122.67
COC1=CC([N-]S(=O)(=O)C2=CNN=C2C)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330780	0	36	-2.0	-123.53	331.86	1.79	-121.74
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330781	1	39	-2.0	-128.90	346.96	5.51	-123.39
COC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330783	0	36	-2.0	-135.52	336.32	2.27	-133.25
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330784	0	36	-2.0	-121.06	331.72	2.38	-118.68
COC1=CC([N-]S(=O)(=O)C2=CNC=N2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330789	0	33	-2.0	-134.85	312.78	2.14	-132.71
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CS2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330791	0	36	-2.0	-128.82	339.70	4.56	-124.26
COC1=CC([N-]S(=O)(=O)C2=CN=C(C)S2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330801	0	35	-2.0	-125.13	340.00	2.57	-122.56
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C)=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330806	0	39	-2.0	-126.10	354.43	4.32	-121.78
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)O2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330807	0	36	-2.0	-129.18	336.07	3.55	-125.63
COC1=CC([N-]S(=O)(=O)C2=CC=CO2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330809	0	33	-2.0	-127.59	314.16	2.73	-124.86
COC1=CC([N-]S(=O)(=O)C2=CN=NN2C)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330810	0	35	-2.0	-115.28	324.89	1.20	-114.08
COC1=CC([N-]S(=O)(=O)C2=C(C)ON=C2N)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330814	0	37	-2.0	-119.14	339.01	2.10	-117.04
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330816	0	38	-2.0	-126.61	348.07	3.57	-123.04
COC1=CC([N-]S(=O)(=O)C2=C(C)C=NN2C)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330819	0	39	-2.0	-122.29	348.34	3.20	-119.09
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330820	0	34	-2.0	-119.63	335.41	3.28	-116.35
COC1=CC([N-]S(=O)(=O)C2=CSC=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330821	0	33	-2.0	-124.98	322.58	3.65	-121.33
COC1=CC([N-]S(=O)(=O)C2=COC=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330822	0	33	-2.0	-125.36	314.01	2.62	-122.74
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CS2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330823	0	36	-2.0	-127.73	345.04	4.40	-123.33
COC1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330824	0	33	-2.0	-123.73	329.75	1.55	-122.18
COC1=CC([N-]S(=O)(=O)C2=CC(C)=NS2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330825	0	35	-2.0	-121.09	339.97	3.03	-118.06
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330827	0	33	-2.0	-126.28	329.75	3.78	-122.50
COC1=CC([N-]S(=O)(=O)N=S(C)(C)=O)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330829	1	36	-2.0	-154.44	336.83	0.67	-153.77
COC1=CC([N-]S(=O)(=O)C2=NC=CN2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330830	0	33	-2.0	-129.47	313.10	1.31	-128.16
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330833	0	39	-2.0	-124.88	352.14	2.98	-121.90
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC(F)F)C=C2C(=O)[O-])C=C1	REAL300000330834	1	40	-2.0	-130.22	362.56	5.83	-124.39
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330835	0	39	-2.0	-127.15	354.85	3.10	-124.05
COC1=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330836	0	36	-2.0	-117.94	347.32	3.34	-114.60
COC1=CC([N-]S(=O)(=O)C2=CON=C2C)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330841	0	35	-2.0	-118.46	328.42	2.70	-115.76
COC1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330842	0	35	-2.0	-132.72	331.98	2.92	-129.80
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330844	0	35	-2.0	-117.81	332.88	2.90	-114.91
COC1=CC([N-]S(=O)(=O)C2=CN=C(C)N2C)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330847	0	39	-2.0	-127.08	350.84	3.71	-123.37
COC1=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330849	0	36	-2.0	-120.88	336.68	2.10	-118.78
COC1=CC([N-]S(=O)(=O)C2=CC=NS2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330850	0	32	-2.0	-120.41	318.22	2.44	-117.97
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=N2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330851	0	35	-2.0	-130.43	330.27	1.06	-129.37
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC(F)F)C=C1C(=O)[O-]	REAL300000330852	0	38	-2.0	-116.19	346.70	2.07	-114.12
COC1=CC([N-]S(=O)(=O)C2=C(C)NC=N2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330853	0	36	-2.0	-136.64	330.58	2.84	-133.80
COC1=CC([N-]S(=O)(=O)C2=CC(C)=NN2C)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330855	0	39	-2.0	-122.41	353.66	2.96	-119.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC(F)F)C=C2C(=O)[O-])O1	REAL300000330857	0	39	-2.0	-129.28	357.56	4.34	-124.94
CCN1N=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC(F)F)C=C2C(=O)[O-])=N1	REAL300000330858	0	38	-2.0	-126.59	352.19	1.61	-124.98
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330859	0	33	-2.0	-122.28	331.22	3.35	-118.93
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CO2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330860	0	36	-2.0	-128.27	336.06	3.41	-124.86
COC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330861	0	34	-2.0	-125.51	335.63	3.18	-122.33
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330862	0	33	-2.0	-124.04	330.24	3.24	-120.80
COC1=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330863	0	34	-2.0	-128.61	334.42	3.15	-125.46
COC1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330864	1	37	-2.0	-130.44	342.49	1.89	-128.55
COC1=CC([N-]S(=O)(=O)C2=CSN=C2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330865	0	32	-2.0	-118.27	317.12	2.35	-115.92
COC1=CC([N-]S(=O)(=O)C2=CN=CS2)=C(C(=O)[O-])C=C1OC(F)F	REAL300000330866	0	32	-2.0	-123.23	318.06	1.86	-121.37
CCC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000330868	1	50	-2.0	-108.56	408.38	8.37	-100.19
CCC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000330869	0	47	-2.0	-102.78	401.56	7.39	-95.39
CCC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000330870	1	51	-2.0	-106.94	415.03	7.72	-99.22
CCC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000330871	0	47	-2.0	-104.22	400.03	7.40	-96.82
CCC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000330872	0	50	-2.0	-102.51	411.38	7.51	-95.00
CCC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000330873	0	47	-2.0	-97.55	400.63	7.50	-90.05
CCC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000330874	0	49	-2.0	-106.31	404.59	6.49	-99.82
CC(C)COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000330875	1	45	-2.0	-102.61	396.33	5.61	-97.00
CC(C)COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000330876	1	45	-2.0	-114.67	396.33	5.59	-109.08
CC(C)COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000330877	0	42	-2.0	-109.14	389.51	4.63	-104.51
CC(C)COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000330878	0	46	-2.0	-113.34	402.98	4.96	-108.38
CC(C)COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000330879	0	42	-2.0	-111.78	387.72	4.65	-107.13
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)OCC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000330880	0	45	-2.0	-107.70	399.36	4.75	-102.95
CC(C)COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000330881	0	42	-2.0	-104.65	388.60	4.72	-99.93
CC(C)COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000330882	0	44	-2.0	-111.13	393.32	3.65	-107.48
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000330883	1	39	-2.0	-108.16	361.32	5.54	-102.62
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000330885	1	39	-2.0	-110.75	356.81	5.50	-105.25
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000330886	0	43	-2.0	-116.81	384.94	5.30	-111.51
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000330887	1	43	-2.0	-96.35	388.25	6.81	-89.54
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000330889	0	39	-2.0	-107.04	369.86	6.09	-100.95
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000330890	1	39	-2.0	-106.53	369.29	5.91	-100.62
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000330891	1	45	-2.0	-114.13	389.18	6.82	-107.31
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000330892	0	39	-2.0	-108.64	362.27	5.58	-103.06
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000330893	1	45	-2.0	-95.70	400.36	7.09	-88.61
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000330894	0	36	-2.0	-105.17	349.97	4.53	-100.64
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000330895	1	42	-2.0	-112.37	372.23	6.30	-106.07
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000330897	1	40	-2.0	-109.24	363.44	4.87	-104.37
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000330899	0	39	-2.0	-99.32	365.91	5.19	-94.13
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000330901	0	36	-2.0	-107.90	348.44	4.55	-103.35
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C(=O)OC)C=C1	REAL300000330903	1	45	-2.0	-110.94	386.93	7.23	-103.71
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000330904	0	39	-2.0	-105.19	359.83	4.65	-100.54
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000330905	0	43	-2.0	-113.32	385.75	4.60	-108.72
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000330906	1	42	-2.0	-101.24	377.50	6.33	-94.91
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000330907	1	39	-2.0	-108.72	365.41	5.40	-103.32
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000330908	0	39	-2.0	-94.41	369.84	6.07	-88.34
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000330909	1	39	-2.0	-98.63	361.34	5.55	-93.08
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000330910	0	36	-2.0	-100.94	349.06	4.63	-96.31
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000330911	1	39	-2.0	-100.63	363.20	5.58	-95.05
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000330912	0	42	-2.0	-109.99	382.54	6.22	-103.77
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000330913	0	39	-2.0	-95.99	362.26	5.58	-90.41
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000330914	1	39	-2.0	-96.68	369.30	5.91	-90.77
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000330915	0	40	-2.0	-111.54	366.50	3.22	-108.32
COC(=O)N(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000330915	1	40	-2.0	-107.14	365.75	4.02	-103.12
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000330916	1	42	-2.0	-100.15	378.96	6.29	-93.86
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000330917	1	42	-2.0	-108.73	372.92	6.32	-102.41
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000330922	0	42	-2.0	-109.31	378.71	6.14	-103.17
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000330923	0	42	-2.0	-116.77	381.80	6.20	-110.57
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N(C)C(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000330925	1	43	-2.0	-110.48	384.81	5.72	-104.76
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000330928	0	39	-2.0	-116.08	360.45	5.55	-110.53
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000330929	1	42	-2.0	-101.50	381.28	6.15	-95.35
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000330930	0	38	-2.0	-109.72	353.00	3.63	-106.09
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000330931	0	43	-2.0	-101.01	384.99	5.31	-95.70
COC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000330932	0	36	-2.0	-99.09	356.93	4.51	-94.58
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N(C)C(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000330933	0	42	-2.0	-105.16	378.92	5.51	-99.65
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300000330948	1	41	-2.0	-95.38	377.42	5.41	-89.97
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000330949	1	41	-2.0	-107.57	377.43	5.41	-102.16
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000330950	0	42	-2.0	-105.87	384.08	4.76	-101.11
CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000330951	0	40	-2.0	-98.13	374.42	3.47	-94.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=CC=C1F	REAL300000330952	1	38	-2.0	-111.71	339.47	8.46	-103.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1	REAL300000330953	1	38	-2.0	-101.40	334.93	8.45	-92.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000330954	1	38	-2.0	-114.75	334.94	8.43	-106.32
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC3=C2C1=CC=C3	REAL300000330955	0	42	-2.0	-120.40	363.08	8.23	-112.17
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1	REAL300000330956	1	42	-2.0	-100.58	366.40	9.74	-90.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1C(=O)[O-]	REAL300000330957	1	41	-2.0	-116.09	350.96	8.97	-107.12
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000330958	0	38	-2.0	-109.86	348.02	9.00	-100.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=CC=C1Cl	REAL300000330959	1	38	-2.0	-110.21	347.45	8.83	-101.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1C	REAL300000330960	1	44	-2.0	-117.07	367.34	9.74	-107.33
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000330961	0	38	-2.0	-112.25	340.41	8.50	-103.75
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1	REAL300000330962	1	44	-2.0	-99.95	378.52	10.01	-89.94
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000330963	0	35	-2.0	-108.59	328.13	7.46	-101.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC3=C2C1=CC=C3	REAL300000330964	1	41	-2.0	-115.12	350.38	9.22	-105.90
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1	REAL300000330965	1	42	-2.0	-99.24	366.02	8.71	-90.53
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1C(=O)[O-]	REAL300000330966	0	39	-2.0	-112.84	341.59	7.79	-105.05
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC3=C2C1=CC=C3	REAL300000330967	1	42	-2.0	-115.28	359.14	7.25	-108.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000330968	0	38	-2.0	-104.62	344.05	8.12	-96.50
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1C(=O)[O-]	REAL300000330969	1	44	-2.0	-117.81	370.39	9.85	-107.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=CS1	REAL300000330970	0	35	-2.0	-110.11	326.59	7.48	-102.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1C(=O)[O-]	REAL300000330971	1	42	-2.0	-120.46	362.22	8.51	-111.95
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC3=C2C1=CC=C3	REAL300000330972	1	47	-2.0	-117.50	388.84	10.44	-107.06
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC3=C2C1=CC=C3	REAL300000330973	1	44	-2.0	-112.95	363.79	10.11	-102.84
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC3=C2C1=CC=C3	REAL300000330974	0	45	-2.0	-121.17	385.37	9.00	-112.17
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000330975	0	41	-2.0	-111.84	362.56	8.93	-102.91
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000330975	1	40	-3.0	-192.44	363.35	9.01	-183.43
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000330976	1	45	-2.0	-119.82	377.80	10.36	-109.46
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C(C(=O)[O-])O1	REAL300000330977	0	38	-2.0	-107.70	337.95	7.58	-100.12
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000330978	0	42	-2.0	-116.01	363.86	7.52	-108.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=CC=C1OCC(=O)[O-]	REAL300000330979	1	45	-2.0	-99.74	386.10	9.41	-90.33
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC3=C2C1=CC=C3	REAL300000330980	1	41	-2.0	-105.63	355.24	9.27	-96.36
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1C(=O)[O-]	REAL300000330981	1	45	-2.0	-121.16	384.08	9.42	-111.74
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C(C(=O)[O-])S1	REAL300000330982	0	38	-2.0	-111.39	343.57	8.32	-103.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C(Cl)=C1	REAL300000330983	0	38	-2.0	-98.56	347.99	8.99	-89.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1F	REAL300000330984	1	38	-2.0	-100.53	339.48	8.48	-92.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)S1	REAL300000330985	0	35	-2.0	-103.25	327.20	7.56	-95.69
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000330986	1	38	-2.0	-105.10	341.36	8.49	-96.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1F	REAL300000330987	0	41	-2.0	-113.75	360.70	9.14	-104.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C(F)=C1	REAL300000330988	0	38	-2.0	-101.06	340.40	8.50	-92.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1Cl	REAL300000330989	1	38	-2.0	-98.71	347.45	8.84	-89.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=CC(F)=C1F	REAL300000330990	1	38	-2.0	-102.82	345.77	8.54	-94.28
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000330991	0	40	-2.0	-99.05	363.13	9.10	-89.95
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000330992	0	39	-2.0	-114.07	344.66	6.15	-107.92
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000330992	1	39	-2.0	-111.55	341.94	7.00	-104.55
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1	REAL300000330993	1	41	-2.0	-105.17	357.12	9.21	-95.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CCC3=C2C1=CC=C3	REAL300000330994	1	41	-2.0	-110.55	344.98	9.06	-101.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=CC(C(=O)[O-])=C1F	REAL300000330995	1	41	-2.0	-113.09	359.79	9.08	-104.01
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCC3=C2C1=CC=C3	REAL300000330996	1	41	-2.0	-101.09	350.35	9.21	-91.88
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=CC(C(=O)[O-])=C1C	REAL300000330997	1	44	-2.0	-118.19	367.82	9.50	-108.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=CC=C1[N+](=O)[O-]	REAL300000330998	0	40	-2.0	-111.94	361.49	9.53	-102.41
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000330999	0	38	-2.0	-103.46	346.68	8.56	-94.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C(C)=C1C(=O)[O-]	REAL300000331000	1	44	-2.0	-115.08	368.47	9.85	-105.23
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1C(=O)[O-]	REAL300000331001	0	41	-2.0	-114.63	360.26	9.13	-105.50
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000331002	0	41	-2.0	-119.98	359.98	9.13	-110.85
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1C(=O)[O-]	REAL300000331003	1	44	-2.0	-116.82	368.88	9.62	-107.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1CC(=O)[O-]	REAL300000331004	1	45	-2.0	-117.12	385.40	8.56	-108.56
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1C(=O)[O-]	REAL300000331005	0	42	-2.0	-114.16	362.96	8.65	-105.51
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=CC=C1C(=O)[O-]	REAL300000331006	1	41	-2.0	-101.55	350.95	8.99	-92.56
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC3=C2C1=CC=C3	REAL300000331007	1	41	-2.0	-112.37	354.47	9.26	-103.11
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1[N+](=O)[O-]	REAL300000331008	0	40	-2.0	-122.18	358.69	10.29	-111.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1F	REAL300000331009	0	38	-2.0	-119.15	338.57	8.46	-110.69
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C1C(=O)[O-]	REAL300000331010	1	41	-2.0	-107.03	359.90	9.11	-97.92
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000331011	0	37	-2.0	-111.82	331.93	6.50	-105.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCC3=C2C1=CC=C3	REAL300000331012	0	42	-2.0	-105.75	363.14	8.23	-97.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)=C(Cl)O1	REAL300000331013	0	35	-2.0	-101.40	335.05	7.41	-93.99
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCC5=C4C3=CC=C5)C=C2)CC1	REAL300000331014	1	45	-2.0	-108.08	381.07	10.31	-97.77
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCC5=C4C3=CC=C5)C=C2C1	REAL300000331015	1	45	-2.0	-110.96	380.39	10.32	-100.64
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCC4=C3C2=CC=C4)C=C(C(=O)[O-])O1	REAL300000331016	0	41	-2.0	-107.21	357.07	8.43	-98.78
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331017	1	46	-2.0	-139.57	383.99	8.81	-130.76
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331018	1	43	-2.0	-132.50	369.25	8.26	-124.24
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000331021	0	37	-2.0	-141.05	323.64	7.80	-133.25
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000331022	0	40	-2.0	-107.96	349.73	7.00	-100.96
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000331023	0	36	-2.0	-123.41	327.93	6.12	-117.29
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000331024	1	38	-2.0	-125.00	335.31	8.00	-117.00
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000331025	1	38	-2.0	-123.57	335.72	7.92	-115.65
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000331026	0	37	-2.0	-126.31	336.93	8.08	-118.23
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000331027	0	38	-2.0	-132.65	332.40	7.77	-124.88
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1Br	REAL300000331028	0	37	-2.0	-129.80	329.63	8.08	-121.72
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000331029	0	40	-2.0	-111.82	349.24	7.89	-103.93
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000331029	1	39	-3.0	-220.97	347.49	8.19	-212.78
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000331031	1	46	-2.0	-129.78	377.29	7.56	-122.22
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1[N+](=O)[O-]	REAL300000331032	1	42	-2.0	-124.92	361.39	8.91	-116.01
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000331033	1	40	-2.0	-124.90	353.80	8.52	-116.38
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000331034	1	47	-2.0	-136.74	378.03	10.01	-126.73
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000331035	0	40	-2.0	-111.96	343.36	7.81	-104.15
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000331035	1	39	-3.0	-195.27	343.34	8.10	-187.17
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331036	0	45	-2.0	-143.29	372.35	6.55	-136.74
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1OC	REAL300000331037	1	45	-2.0	-130.82	373.22	6.81	-124.01
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000331038	1	44	-2.0	-138.65	360.86	9.43	-129.22
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331039	0	39	-2.0	-117.57	326.24	6.45	-111.12
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000331040	1	37	-2.0	-121.04	346.41	8.58	-112.46
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000331041	0	40	-2.0	-124.75	346.61	7.89	-116.86
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000331041	1	39	-3.0	-201.85	342.94	8.17	-193.68
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000331042	1	37	-2.0	-118.55	327.20	7.72	-110.83
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000331043	0	37	-2.0	-126.85	343.64	8.52	-118.33
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000331044	1	40	-2.0	-126.01	353.21	8.61	-117.40
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331045	1	40	-2.0	-135.28	335.87	8.28	-127.00
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000331047	0	40	-2.0	-130.74	337.86	8.72	-122.02
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000331048	1	37	-2.0	-127.50	331.21	8.13	-119.37
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331049	1	42	-2.0	-135.41	357.65	8.02	-127.39
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331050	1	43	-2.0	-134.55	350.68	8.83	-125.72
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C	REAL300000331051	1	43	-2.0	-137.51	352.92	8.80	-128.71
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000331052	1	37	-2.0	-119.59	337.08	8.17	-111.42
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331053	1	42	-2.0	-139.76	357.24	8.09	-131.67
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331055	1	46	-2.0	-128.54	391.53	9.12	-119.42
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000331056	0	37	-2.0	-126.09	342.10	8.46	-117.63
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1[N+](=O)[O-]	REAL300000331057	1	43	-2.0	-137.01	370.01	8.34	-128.67
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300000331058	1	49	-2.0	-134.91	391.62	9.84	-125.07
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331059	1	46	-2.0	-134.35	375.53	9.45	-124.90
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331060	1	49	-2.0	-134.48	393.99	10.11	-124.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331061	0	43	-3.0	-225.39	371.27	7.82	-217.57
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331061	1	44	-2.0	-111.76	368.25	8.13	-103.63
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000331062	0	44	-2.0	-104.60	374.83	9.10	-95.50
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000331062	1	43	-3.0	-190.30	374.81	9.38	-180.92
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000331063	0	34	-2.0	-123.95	324.16	7.15	-116.80
CCCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331064	1	46	-2.0	-133.85	379.70	9.74	-124.11
COC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331065	0	41	-2.0	-139.42	342.88	7.27	-132.15
CC1=CC=C(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000331066	0	43	-2.0	-127.24	364.24	8.45	-118.79
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000331066	1	42	-3.0	-205.60	362.47	8.82	-196.78
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000331067	0	37	-2.0	-129.41	328.66	7.63	-121.78
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000331068	1	37	-2.0	-122.21	349.47	8.52	-113.69
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000331069	0	37	-2.0	-130.90	327.57	7.97	-122.93
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1	REAL300000331070	1	37	-2.0	-127.60	335.77	8.23	-119.37
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000331071	0	39	-2.0	-123.23	342.70	8.28	-114.95
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331072	1	42	-2.0	-132.50	357.50	8.81	-123.69
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300000331073	1	39	-2.0	-128.96	355.16	8.65	-120.31
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000331074	0	34	-2.0	-130.93	306.41	6.62	-124.31
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000331076	0	39	-2.0	-135.96	332.79	8.62	-127.34
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000331077	0	39	-3.0	-212.99	355.28	8.57	-204.42
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000331077	1	40	-2.0	-113.96	345.82	7.74	-106.22
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000331078	0	40	-2.0	-109.22	357.23	8.24	-100.98
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000331078	1	39	-3.0	-220.13	355.46	8.55	-211.58
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331079	1	40	-2.0	-135.52	336.46	8.19	-127.33
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000331081	0	37	-2.0	-125.04	326.60	7.63	-117.41
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000331082	1	37	-2.0	-127.10	320.89	7.68	-119.42
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000331083	0	37	-2.0	-121.94	328.83	7.63	-114.31
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1C	REAL300000331084	1	49	-2.0	-130.84	376.12	10.09	-120.75
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000331085	1	43	-2.0	-132.79	358.96	6.77	-126.02
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331087	1	52	-2.0	-137.85	405.49	10.46	-127.39
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000331088	1	37	-2.0	-126.17	331.63	8.05	-118.12
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1	REAL300000331089	1	37	-2.0	-126.28	336.19	8.15	-118.13
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000331090	0	39	-2.0	-119.31	343.12	8.20	-111.11
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000331091	1	37	-2.0	-132.80	315.84	7.50	-125.30
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331092	1	44	-2.0	-142.69	371.02	6.45	-136.24
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)S1	REAL300000331093	0	37	-2.0	-131.69	328.99	7.35	-124.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)=C1C	REAL300000331094	0	46	-2.0	-113.11	370.02	8.85	-104.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1C	REAL300000331094	1	45	-3.0	-224.25	374.51	9.29	-214.96
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331095	0	41	-2.0	-131.28	359.59	7.79	-123.49
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300000331096	0	39	-2.0	-134.64	346.13	9.75	-124.89
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000331097	0	39	-3.0	-199.73	344.50	8.04	-191.69
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300000331098	0	34	-2.0	-121.67	338.91	7.64	-114.03
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331099	1	52	-2.0	-133.69	418.76	11.03	-122.66
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331100	1	42	-2.0	-122.82	351.20	8.64	-114.18
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000331101	0	37	-2.0	-129.45	322.48	7.56	-121.89
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000331102	0	46	-2.0	-103.30	386.96	9.39	-93.91
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000331102	1	45	-3.0	-192.11	387.34	9.67	-182.44
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331103	1	47	-2.0	-142.39	391.33	7.27	-135.12
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000331104	1	41	-2.0	-128.41	350.64	4.35	-124.06
CSC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331105	1	41	-2.0	-132.57	355.09	8.55	-124.02
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000331106	1	42	-2.0	-127.59	357.35	5.97	-121.62
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000331107	1	45	-2.0	-128.87	375.14	6.71	-122.16
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000331109	0	36	-3.0	-196.51	336.77	7.12	-189.39
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000331110	1	40	-2.0	-121.23	347.06	5.03	-116.20
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331112	0	43	-2.0	-110.00	353.72	8.39	-101.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331112	1	42	-3.0	-221.11	357.69	8.73	-212.38
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331113	0	43	-2.0	-124.80	351.96	6.60	-118.20
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1C	REAL300000331114	1	45	-2.0	-132.86	374.41	9.41	-123.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331115	1	43	-2.0	-129.09	369.67	8.19	-120.90
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331116	1	44	-2.0	-135.18	371.34	5.81	-129.37
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300000331117	1	42	-2.0	-133.64	369.49	2.48	-131.16
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000331118	1	41	-2.0	-134.85	349.40	4.31	-130.54
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331119	1	43	-2.0	-134.18	358.20	8.96	-125.22
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000331120	1	43	-2.0	-138.17	361.26	9.80	-128.37
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=CS1	REAL300000331121	0	40	-2.0	-134.86	350.90	7.46	-127.40
COCCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331122	1	47	-2.0	-132.54	391.87	8.03	-124.51
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000331123	0	44	-2.0	-105.38	374.46	8.09	-97.29
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331124	1	49	-2.0	-134.13	396.46	10.21	-123.92
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000331125	1	37	-2.0	-125.06	321.30	7.60	-117.46
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000331126	0	37	-2.0	-135.49	320.21	7.56	-127.93
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000331127	1	42	-2.0	-127.12	356.75	7.92	-119.20
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C(C)C)=C2N=C1	REAL300000331128	0	45	-2.0	-146.85	375.92	8.86	-137.99
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(Cl)=C1	REAL300000331130	0	40	-2.0	-131.21	348.98	8.64	-122.57
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300000331131	1	43	-2.0	-126.07	365.22	4.82	-121.25
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300000331132	1	42	-2.0	-134.75	368.66	2.57	-132.18
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300000331133	1	45	-2.0	-128.61	379.31	7.95	-120.66
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C([N+](=O)[O-])=C1	REAL300000331134	0	43	-2.0	-140.99	358.89	8.54	-132.45
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000331135	1	42	-2.0	-122.86	362.16	9.12	-113.74
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300000331136	1	43	-2.0	-133.02	369.45	7.48	-125.54
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300000331137	1	43	-2.0	-139.37	376.01	5.05	-134.32
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331138	1	40	-2.0	-123.91	335.61	8.22	-115.69
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000331139	0	37	-2.0	-121.30	333.95	8.04	-113.26
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(F)=C1	REAL300000331140	0	44	-2.0	-139.64	377.03	6.48	-133.16
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300000331141	1	43	-2.0	-139.99	375.18	5.13	-134.86
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1OC	REAL300000331143	0	45	-2.0	-132.29	378.87	6.77	-125.52
COC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1OC	REAL300000331144	1	48	-2.0	-132.36	387.84	7.35	-125.01
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000331145	0	40	-3.0	-201.32	350.42	7.43	-193.89
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000331145	1	41	-2.0	-124.31	353.25	7.23	-117.08
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000331146	0	37	-2.0	-134.19	332.87	7.10	-127.09
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000331147	0	42	-2.0	-128.36	357.54	3.67	-124.69
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331148	0	44	-2.0	-109.92	362.57	6.43	-103.49
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1Cl	REAL300000331150	1	41	-2.0	-126.46	360.01	7.46	-119.00
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1F	REAL300000331151	1	41	-2.0	-125.47	350.21	6.97	-118.50
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C(N)=O	REAL300000331154	1	44	-2.0	-125.04	365.12	5.05	-119.99
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C(N)=O	REAL300000331155	1	45	-2.0	-128.22	376.30	4.99	-123.23
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000331156	0	37	-2.0	-125.36	319.46	5.26	-120.10
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331157	0	42	-2.0	-118.36	357.40	8.82	-109.54
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CN1C	REAL300000331159	0	45	-2.0	-128.93	379.87	5.15	-123.78
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331160	1	40	-2.0	-129.83	345.99	8.67	-121.16
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C(C)C)C=N2)C=C1	REAL300000331162	0	47	-2.0	-132.77	396.88	9.34	-123.43
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331165	0	39	-3.0	-204.28	352.88	7.77	-196.51
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000331166	1	38	-2.0	-117.44	350.71	8.40	-109.04
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000331167	1	38	-2.0	-117.31	350.73	8.40	-108.91
CC1=CC(C)=C(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000331168	0	46	-2.0	-110.70	369.90	8.88	-101.82
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000331169	1	41	-2.0	-143.53	354.37	7.86	-135.67
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1Cl	REAL300000331170	1	40	-2.0	-132.98	349.96	8.70	-124.28
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000331171	0	37	-2.0	-135.32	332.26	8.00	-127.32
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331173	0	43	-2.0	-124.12	371.08	7.94	-116.18
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C2=CC=CC=C12	REAL300000331174	1	47	-2.0	-138.36	382.34	9.03	-129.33
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1F	REAL300000331175	1	40	-2.0	-134.07	341.22	8.31	-125.76
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331176	1	40	-2.0	-125.17	345.95	8.66	-116.51
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331177	0	40	-2.0	-138.29	337.49	8.15	-130.14
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331178	1	40	-2.0	-130.99	335.66	8.21	-122.78
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCCl)C=C1	REAL300000331179	1	43	-2.0	-131.88	375.35	9.59	-122.29
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331180	0	42	-2.0	-136.65	346.32	9.31	-127.34
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300000331181	1	47	-2.0	-139.77	386.15	7.51	-132.26
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331182	0	45	-2.0	-148.11	375.85	8.88	-139.23
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000331183	0	36	-3.0	-216.59	334.58	7.21	-209.38
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000331183	1	37	-2.0	-111.60	338.27	6.92	-104.68
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300000331184	0	39	-2.0	-115.54	355.79	8.64	-106.90
COC1=CC=C(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000331185	0	44	-2.0	-118.16	371.98	7.92	-110.24
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C2=CC=CN=C2C=C1	REAL300000331186	1	45	-2.0	-128.16	360.44	8.71	-119.45
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1O	REAL300000331187	1	44	-2.0	-127.04	378.09	6.30	-120.74
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000331188	0	39	-2.0	-134.19	336.24	9.30	-124.89
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300000331189	1	47	-2.0	-135.20	389.67	10.92	-124.28
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000331190	0	39	-2.0	-132.03	349.81	8.80	-123.23
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331193	0	41	-2.0	-133.88	345.86	5.83	-128.05
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000331194	0	34	-2.0	-120.29	297.59	3.89	-116.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331195	0	46	-2.0	-111.63	368.06	8.58	-103.05
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331195	1	45	-3.0	-218.23	372.54	9.67	-208.56
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000331196	0	40	-2.0	-136.70	354.66	8.45	-128.25
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)S1	REAL300000331197	0	40	-2.0	-123.52	363.05	7.30	-116.22
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C	REAL300000331198	0	45	-2.0	-137.36	371.87	9.84	-127.52
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000331199	0	41	-2.0	-121.28	353.47	7.87	-113.41
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000331200	0	37	-2.0	-128.44	330.20	7.88	-120.56
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000331201	0	39	-3.0	-209.53	347.46	7.20	-202.33
CC1=C(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000331201	1	40	-2.0	-120.51	336.22	6.30	-114.21
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000331202	0	40	-2.0	-159.92	342.15	6.79	-153.13
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331203	0	43	-2.0	-133.98	370.83	8.12	-125.86
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331204	0	47	-2.0	-141.39	386.99	8.85	-132.54
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300000331205	0	39	-2.0	-141.50	346.67	9.75	-131.75
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000331206	1	42	-2.0	-136.53	362.75	7.79	-128.74
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(Br)=C1	REAL300000331207	0	36	-2.0	-121.33	332.33	6.30	-115.03
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000331208	0	39	-2.0	-151.21	339.45	9.20	-142.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331209	0	43	-3.0	-207.59	372.04	7.12	-200.47
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331209	1	44	-2.0	-118.05	364.44	7.24	-110.81
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000331210	0	44	-2.0	-133.25	375.88	8.64	-124.61
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300000331211	0	47	-2.0	-132.68	400.88	9.11	-123.57
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000331212	0	36	-2.0	-122.19	317.41	5.78	-116.41
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331213	0	40	-2.0	-125.94	363.36	7.19	-118.75
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331214	1	45	-2.0	-129.49	372.37	9.78	-119.71
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300000331215	1	42	-2.0	-133.42	349.16	7.79	-125.63
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000331216	0	36	-2.0	-118.94	338.98	6.56	-112.38
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000331217	0	37	-2.0	-140.90	318.95	6.63	-134.27
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C(C)C)C=C12	REAL300000331219	1	45	-2.0	-127.62	382.33	7.22	-120.40
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C(C)C)C=C12	REAL300000331220	0	41	-2.0	-123.01	355.76	4.47	-118.54
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000331221	0	37	-2.0	-121.15	331.25	6.04	-115.11
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300000331222	1	46	-2.0	-134.94	396.85	10.37	-124.57
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000331223	0	37	-2.0	-138.05	322.38	7.56	-130.49
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(F)=C1	REAL300000331224	0	41	-2.0	-134.68	353.28	7.11	-127.57
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300000331225	0	39	-2.0	-134.80	346.59	9.77	-125.03
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331226	0	43	-2.0	-106.28	359.10	8.41	-97.87
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331226	1	42	-3.0	-208.72	362.82	8.75	-199.97
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000331227	0	43	-2.0	-137.74	357.70	7.10	-130.64
CC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CN1C	REAL300000331228	0	40	-2.0	-146.70	339.55	6.40	-140.30
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000331229	0	41	-2.0	-135.04	352.65	7.53	-127.51
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331230	1	46	-2.0	-131.51	391.97	9.10	-122.41
CCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=N1	REAL300000331231	0	40	-2.0	-131.38	341.39	6.09	-125.29
COCC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331232	1	44	-2.0	-135.34	369.54	7.33	-128.01
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300000331233	0	37	-2.0	-131.30	347.23	7.66	-123.64
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000331234	1	42	-2.0	-132.64	351.98	6.79	-125.85
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000331235	0	37	-2.0	-127.59	333.30	8.07	-119.52
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000331238	1	41	-2.0	-127.26	360.30	4.35	-122.91
CC1=NNC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331239	0	37	-2.0	-123.83	314.45	4.49	-119.34
COC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331240	1	41	-2.0	-134.11	343.96	6.91	-127.20
CC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331241	1	40	-2.0	-132.78	328.51	8.18	-124.60
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)S1	REAL300000331242	0	43	-2.0	-132.99	375.44	5.74	-127.25
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)S1	REAL300000331242	1	42	-3.0	-208.29	372.45	4.61	-203.68
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000331243	0	37	-2.0	-137.40	319.32	5.15	-132.25
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000331244	0	37	-2.0	-123.89	314.87	5.14	-118.75
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(F)=C1	REAL300000331250	0	40	-2.0	-135.53	341.61	8.24	-127.29
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1F	REAL300000331251	1	40	-2.0	-126.13	341.21	8.30	-117.83
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000331252	0	34	-2.0	-138.09	296.24	4.94	-133.15
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)O1	REAL300000331253	0	40	-2.0	-122.74	355.56	6.28	-116.46
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000331254	0	42	-2.0	-146.93	355.39	8.15	-138.78
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000331255	0	37	-2.0	-121.66	332.88	7.69	-113.97
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C(C(=O)[O-])S1	REAL300000331256	0	39	-3.0	-214.62	353.45	7.93	-206.69
CC1=C(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)C=C(C(=O)[O-])S1	REAL300000331256	1	40	-2.0	-110.12	348.90	7.60	-102.52
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1C	REAL300000331257	1	46	-2.0	-131.66	378.26	8.65	-123.01
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331258	0	41	-2.0	-134.21	356.36	7.30	-126.91
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CN=C1Cl	REAL300000331259	0	39	-2.0	-124.61	346.66	6.72	-117.89
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331261	1	46	-2.0	-138.61	392.26	8.97	-129.64
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331263	0	49	-2.0	-127.16	391.86	8.13	-119.03
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)SC=C1	REAL300000331264	0	37	-2.0	-131.90	325.91	7.18	-124.72
CCN1N=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1C	REAL300000331265	0	46	-2.0	-132.09	371.07	7.43	-124.66
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C	REAL300000331266	1	46	-2.0	-127.73	385.35	8.79	-118.94
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1[N+](=O)[O-]	REAL300000331267	0	42	-2.0	-121.09	358.63	8.80	-112.29
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000331270	1	45	-2.0	-155.18	375.65	5.95	-149.23
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331271	1	41	-2.0	-128.86	350.05	8.55	-120.31
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1F	REAL300000331272	1	44	-2.0	-135.68	376.51	6.57	-129.11
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1[N+](=O)[O-]	REAL300000331273	0	42	-2.0	-131.00	367.25	8.87	-122.13
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1C	REAL300000331274	1	47	-2.0	-160.72	389.34	7.36	-153.36
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331275	0	41	-2.0	-135.04	352.98	7.88	-127.16
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331276	1	41	-2.0	-122.16	349.89	8.53	-113.63
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000331278	0	38	-2.0	-123.66	340.96	7.96	-115.70
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C(C)C)C=C2O1	REAL300000331279	1	42	-2.0	-129.28	359.66	5.15	-124.13
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000331280	0	43	-2.0	-131.93	359.68	6.63	-125.30
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000331281	1	42	-2.0	-136.94	355.45	8.01	-128.93
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=N1	REAL300000331282	0	43	-2.0	-140.23	374.27	6.31	-133.92
CC(C)C1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CN1	REAL300000331283	0	43	-2.0	-139.88	358.74	5.98	-133.90
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1[N+](=O)[O-]	REAL300000331284	0	40	-2.0	-132.95	350.21	9.64	-123.31
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000331288	1	37	-2.0	-114.25	335.00	7.68	-106.57
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331289	1	48	-2.0	-133.74	397.52	9.37	-124.37
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CN1C	REAL300000331291	0	44	-2.0	-130.40	375.63	7.72	-122.68
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331292	1	52	-2.0	-134.94	405.73	10.31	-124.63
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000331293	0	39	-3.0	-191.17	355.88	8.52	-182.65
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000331293	1	40	-2.0	-108.93	346.11	7.76	-101.17
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000331294	0	40	-2.0	-113.48	349.18	7.89	-105.59
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000331294	1	39	-3.0	-191.70	347.47	8.20	-183.50
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331295	1	47	-2.0	-139.94	381.84	7.83	-132.11
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC(C)=C1F	REAL300000331296	1	43	-2.0	-127.66	361.93	8.87	-118.79
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000331297	0	36	-3.0	-200.82	335.91	7.23	-193.59
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331298	0	46	-2.0	-145.30	379.02	8.59	-136.71
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000331299	0	40	-2.0	-115.98	351.48	7.92	-108.06
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000331299	1	39	-3.0	-194.68	350.19	8.15	-186.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1F	REAL300000331300	0	42	-3.0	-217.45	368.90	8.75	-208.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CN1	REAL300000331301	0	41	-2.0	-126.85	357.90	5.96	-120.89
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000331302	0	39	-3.0	-192.73	348.58	8.14	-184.59
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000331303	0	40	-2.0	-110.00	357.15	8.25	-101.75
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000331303	1	39	-3.0	-191.45	355.45	8.56	-182.89
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331304	1	40	-2.0	-126.28	333.83	8.21	-118.07
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1C	REAL300000331305	1	46	-2.0	-132.81	385.36	8.78	-124.03
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CS1	REAL300000331306	0	40	-2.0	-126.11	362.45	7.22	-118.89
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1F	REAL300000331307	1	43	-2.0	-121.54	373.83	8.27	-113.27
CC1=NC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)S1	REAL300000331308	0	39	-2.0	-127.13	337.10	6.03	-121.10
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000331309	1	41	-2.0	-137.03	357.53	8.70	-128.33
CC(=O)NC1=CC(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1[O-]	REAL300000331310	1	45	-2.0	-119.53	378.93	4.19	-115.34
CCC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331313	1	43	-2.0	-135.37	357.36	9.04	-126.33
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331314	1	40	-2.0	-127.10	343.83	8.23	-118.87
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331316	0	43	-2.0	-130.01	372.39	7.07	-122.94
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000331317	1	43	-2.0	-127.03	366.56	6.60	-120.43
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000331318	0	40	-2.0	-107.55	357.42	7.99	-99.56
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000331318	1	39	-3.0	-190.50	355.29	8.15	-182.35
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C(F)C=C1F	REAL300000331320	0	40	-2.0	-128.98	342.79	8.20	-120.78
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000331321	1	43	-2.0	-140.24	355.42	9.72	-130.52
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000331322	0	39	-2.0	-130.58	347.30	7.01	-123.57
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000331323	0	40	-3.0	-216.09	352.84	5.74	-210.35
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000331323	1	40	-3.0	-205.60	344.70	6.43	-199.17
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000331324	1	47	-2.0	-136.77	368.96	10.01	-126.76
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000331325	0	43	-2.0	-105.97	365.56	8.59	-97.38
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000331325	1	42	-3.0	-199.13	365.94	8.87	-190.26
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)O1	REAL300000331326	0	43	-2.0	-122.97	377.42	7.21	-115.76
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000331327	0	39	-2.0	-117.37	349.94	8.26	-109.11
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331328	0	42	-2.0	-143.42	367.29	8.39	-135.03
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300000331329	0	40	-2.0	-127.72	356.53	8.20	-119.52
COC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)SC=C1	REAL300000331331	0	38	-2.0	-138.62	335.62	6.48	-132.14
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)OC2=CC=C(F)C=C12	REAL300000331332	0	43	-2.0	-135.72	366.12	8.79	-126.93
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000331333	0	40	-2.0	-140.99	345.08	7.91	-133.08
CC1=NC2=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C(C)C)C=CC=C2C=C1	REAL300000331334	0	45	-2.0	-148.56	377.85	8.71	-139.85
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1F	REAL300000331335	0	42	-2.0	-132.34	368.74	8.88	-123.46
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331336	0	39	-2.0	-129.08	346.29	5.88	-123.20
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000331338	0	37	-2.0	-122.93	330.97	6.44	-116.49
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000331339	0	37	-2.0	-139.84	336.20	6.34	-133.50
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331340	1	45	-2.0	-137.67	375.00	6.10	-131.57
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000331341	0	38	-2.0	-130.87	330.84	6.28	-124.59
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000331342	0	38	-2.0	-123.11	335.46	5.34	-117.77
CC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)S1	REAL300000331343	0	36	-2.0	-126.04	323.71	5.37	-120.67
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331344	1	42	-2.0	-123.92	361.98	8.84	-115.08
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331345	0	43	-2.0	-123.54	348.78	8.22	-115.32
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331345	1	42	-3.0	-202.76	351.47	8.57	-194.19
CC1=CC(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)=CC(C(=O)[O-])=C1F	REAL300000331347	0	43	-2.0	-116.39	370.05	8.47	-107.92
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC(C(=O)[O-])=C1F	REAL300000331347	1	42	-3.0	-224.33	368.60	8.73	-215.60
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331348	0	43	-2.0	-111.80	353.70	8.36	-103.44
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300000331349	0	38	-2.0	-127.01	344.60	8.20	-118.81
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1F	REAL300000331350	0	40	-2.0	-131.97	346.89	8.27	-123.70
COC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1[N+](=O)[O-]	REAL300000331351	0	43	-2.0	-119.80	370.02	8.34	-111.46
CC1=CC(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)=CC(C(=O)[O-])=C1C	REAL300000331352	0	46	-2.0	-126.92	377.90	8.85	-118.07
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC(C(=O)[O-])=C1C	REAL300000331352	1	45	-3.0	-208.55	381.41	9.27	-199.28
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000331353	0	40	-2.0	-129.63	360.65	9.02	-120.61
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1CC	REAL300000331354	1	49	-2.0	-136.85	391.54	10.18	-126.67
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000331356	0	39	-3.0	-203.49	354.89	8.19	-195.30
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC([N+](=O)[O-])=C1F	REAL300000331357	1	42	-2.0	-127.18	368.35	8.85	-118.33
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000331358	0	36	-2.0	-121.46	333.34	6.91	-114.55
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000331359	0	43	-2.0	-145.20	359.93	8.01	-137.19
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=N1	REAL300000331360	0	42	-2.0	-121.38	366.05	6.36	-115.02
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000331361	0	36	-2.0	-118.93	340.20	6.60	-112.33
CC1=CC=C(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)C(C)=C1C(=O)[O-]	REAL300000331362	0	46	-2.0	-131.28	371.49	8.99	-122.29
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000331363	0	42	-3.0	-218.66	368.84	8.79	-209.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331364	0	42	-3.0	-209.83	368.18	8.75	-201.08
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331365	1	45	-2.0	-139.19	378.40	8.79	-130.40
COCCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=N1	REAL300000331366	0	44	-2.0	-129.11	374.67	5.16	-123.95
CCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C([N+](=O)[O-])=N1	REAL300000331367	0	42	-2.0	-126.95	362.06	8.06	-118.89
CCC1=CC=C(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000331368	0	46	-2.0	-112.63	378.95	9.03	-103.60
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000331368	1	45	-3.0	-229.19	376.53	9.54	-219.65
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000331369	0	48	-2.0	-130.94	392.47	6.07	-124.87
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1C#N	REAL300000331372	0	41	-2.0	-133.71	351.56	8.27	-125.44
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331373	0	43	-2.0	-107.60	358.82	7.55	-100.05
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000331374	0	46	-2.0	-134.12	388.45	9.16	-124.96
CCCN1C=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331375	0	43	-2.0	-140.35	362.26	8.29	-132.06
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000331376	0	45	-2.0	-125.00	374.05	5.25	-119.75
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1F	REAL300000331378	0	40	-2.0	-136.78	340.51	8.22	-128.56
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=N1	REAL300000331379	0	43	-2.0	-126.48	365.09	5.11	-121.37
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000331380	0	44	-2.0	-144.76	360.49	7.59	-137.17
COCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331381	1	44	-2.0	-133.59	370.37	7.25	-126.34
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331382	0	42	-2.0	-135.95	353.93	4.46	-131.49
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1Cl	REAL300000331383	0	40	-2.0	-132.19	346.30	8.55	-123.64
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C(C)O1	REAL300000331385	0	40	-2.0	-131.89	338.93	7.06	-124.83
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300000331386	0	43	-2.0	-133.09	359.40	5.19	-127.90
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331388	1	44	-2.0	-131.25	361.79	7.47	-123.78
CCC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C(C(=O)OC)O1	REAL300000331389	0	46	-2.0	-128.43	392.99	7.90	-120.53
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)O1	REAL300000331391	0	37	-2.0	-131.10	320.61	6.31	-124.79
CC1=C(C)SC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331392	0	40	-2.0	-133.82	348.27	7.91	-125.91
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000331393	1	40	-2.0	-126.90	341.36	6.18	-120.72
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C2=NC=CC=C2C=C1	REAL300000331394	0	45	-2.0	-141.49	360.83	9.16	-132.33
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000331395	0	43	-2.0	-134.78	357.43	9.43	-125.35
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000331396	0	39	-2.0	-113.58	347.23	8.29	-105.29
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000331397	1	37	-2.0	-122.90	339.15	8.08	-114.82
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C(C)O1	REAL300000331398	0	43	-2.0	-128.70	373.81	7.07	-121.63
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000331399	0	36	-2.0	-121.46	327.76	6.20	-115.26
CCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)N=C1C	REAL300000331400	0	43	-2.0	-143.61	360.54	7.33	-136.28
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331401	0	40	-2.0	-132.26	348.32	8.67	-123.59
CCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000331402	0	43	-3.0	-202.69	370.97	8.39	-194.30
CCN1C=C(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000331402	1	44	-2.0	-113.09	371.91	7.98	-105.11
COC(=O)C1=COC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331403	0	40	-2.0	-132.98	355.90	6.23	-126.75
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331404	0	49	-2.0	-131.86	389.65	8.03	-123.83
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CN1C	REAL300000331405	0	47	-2.0	-129.81	397.49	8.64	-121.17
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331406	1	45	-2.0	-123.07	373.52	9.44	-113.63
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000331407	0	37	-2.0	-130.24	328.89	8.27	-121.97
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(Cl)=N1	REAL300000331408	0	39	-2.0	-127.46	344.40	6.72	-120.74
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331409	0	42	-2.0	-128.25	363.72	7.66	-120.59
CSC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1Cl	REAL300000331410	1	41	-2.0	-126.73	369.70	9.07	-117.66
CCC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)S1	REAL300000331411	0	39	-2.0	-127.07	344.47	6.20	-120.87
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C(C)C)C=C12	REAL300000331412	0	44	-2.0	-122.33	377.25	5.21	-117.12
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)S1	REAL300000331413	0	39	-2.0	-120.67	353.44	7.85	-112.82
COC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CN=C1Cl	REAL300000331415	0	40	-2.0	-119.15	355.34	5.56	-113.59
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000331416	0	39	-2.0	-121.83	350.78	6.72	-115.11
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331417	0	43	-2.0	-126.76	377.20	8.22	-118.54
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331418	0	52	-2.0	-126.75	411.96	9.00	-117.75
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(C)=C1F	REAL300000331419	1	44	-2.0	-125.37	363.77	7.49	-117.88
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000331420	0	38	-2.0	-119.74	348.26	8.36	-111.38
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000331421	0	40	-2.0	-140.97	342.98	7.85	-133.12
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331422	0	42	-2.0	-131.25	365.96	6.35	-124.90
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000331423	0	34	-2.0	-122.69	320.39	6.22	-116.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1[N+](=O)[O-]	REAL300000331424	1	45	-2.0	-133.89	374.89	9.37	-124.52
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300000331425	0	37	-2.0	-128.51	335.58	8.02	-120.49
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331429	0	37	-2.0	-125.89	344.29	7.74	-118.15
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000331430	1	40	-2.0	-136.69	348.65	8.54	-128.15
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000331431	0	40	-2.0	-130.13	352.83	6.44	-123.69
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331432	0	41	-2.0	-137.14	350.13	8.46	-128.68
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300000331433	0	45	-2.0	-127.68	384.77	8.81	-118.87
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(C)=CS1	REAL300000331434	0	43	-2.0	-133.72	368.79	8.42	-125.30
COC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1F	REAL300000331435	1	41	-2.0	-124.10	350.21	6.97	-117.13
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000331436	0	36	-2.0	-128.92	326.50	7.56	-121.36
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000331437	0	34	-2.0	-132.53	297.86	5.53	-127.00
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000331438	0	36	-2.0	-112.84	308.74	3.99	-108.85
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000331439	1	42	-2.0	-123.98	360.42	6.62	-117.36
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000331440	0	36	-2.0	-126.85	335.64	7.38	-119.47
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331442	1	45	-2.0	-136.94	381.88	5.80	-131.14
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000331443	0	41	-2.0	-136.94	342.90	6.98	-129.96
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000331444	0	38	-2.0	-125.97	347.67	8.39	-117.58
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000331445	0	40	-2.0	-130.02	359.27	6.59	-123.43
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331446	1	43	-2.0	-129.42	344.20	9.12	-120.30
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000331448	0	41	-2.0	-140.23	351.55	7.49	-132.74
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331449	0	50	-2.0	-126.50	403.37	8.93	-117.57
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C(C)C)C=CC=C12	REAL300000331450	0	45	-2.0	-146.84	372.45	8.76	-138.08
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000331452	1	41	-2.0	-132.11	367.26	4.78	-127.33
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000331453	0	38	-2.0	-134.49	339.83	5.84	-128.65
COC1=CN=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331454	0	40	-2.0	-129.68	340.58	4.97	-124.71
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C)OCO2	REAL300000331456	1	43	-2.0	-131.11	355.16	6.81	-124.30
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331458	0	43	-2.0	-126.46	366.55	8.62	-117.84
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300000331459	1	47	-2.0	-127.80	388.40	7.26	-120.54
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)S1	REAL300000331461	0	40	-2.0	-132.52	359.12	5.12	-127.40
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)S1	REAL300000331461	1	39	-3.0	-205.99	356.85	3.91	-202.08
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1F	REAL300000331462	1	44	-2.0	-135.17	376.21	6.58	-128.59
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300000331463	0	42	-2.0	-138.03	372.84	3.10	-134.93
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000331464	1	41	-2.0	-136.48	346.82	8.66	-127.82
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000331465	1	41	-2.0	-137.61	356.75	8.77	-128.84
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000331466	0	37	-2.0	-122.57	344.29	8.48	-114.09
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(N)=NO1	REAL300000331468	0	38	-2.0	-116.61	321.28	4.85	-111.76
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331469	0	41	-2.0	-135.98	359.61	7.79	-128.19
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000331470	0	38	-2.0	-129.94	342.00	6.38	-123.56
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331473	1	44	-2.0	-137.41	358.73	7.44	-129.97
COC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1Cl	REAL300000331474	1	44	-2.0	-129.98	373.96	8.02	-121.96
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000331476	0	35	-2.0	-120.77	327.82	7.07	-113.70
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=N1	REAL300000331477	0	39	-2.0	-132.21	331.91	6.35	-125.86
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000331478	0	42	-2.0	-132.37	356.51	7.88	-124.49
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(F)=C1	REAL300000331479	0	43	-2.0	-127.76	374.91	8.24	-119.52
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1F	REAL300000331480	0	43	-2.0	-122.05	373.81	8.28	-113.77
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1C#N	REAL300000331481	1	41	-2.0	-123.65	354.46	8.49	-115.16
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000331482	0	36	-2.0	-116.62	332.25	6.27	-110.35
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(F)=C1	REAL300000331484	0	41	-2.0	-131.76	349.67	6.86	-124.90
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000331486	1	40	-2.0	-130.69	347.49	8.39	-122.30
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000331487	1	47	-2.0	-137.03	390.26	10.91	-126.12
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)N(C)N=C1	REAL300000331489	0	40	-2.0	-122.41	330.06	5.95	-116.46
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000331491	0	35	-2.0	-117.13	319.93	6.03	-111.10
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000331492	0	34	-2.0	-126.94	307.11	6.40	-120.54
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000331493	0	34	-2.0	-129.29	298.55	5.38	-123.91
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331494	0	48	-2.0	-142.07	397.95	6.99	-135.08
CC1=CC(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1C(=O)[O-]	REAL300000331495	0	43	-2.0	-111.31	360.66	8.40	-102.91
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1C(=O)[O-]	REAL300000331495	1	42	-3.0	-197.30	359.02	8.70	-188.60
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=N1	REAL300000331496	0	40	-2.0	-126.01	343.24	4.18	-121.83
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000331497	0	37	-2.0	-129.93	332.81	8.00	-121.93
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331499	1	48	-2.0	-129.21	393.77	8.46	-120.75
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331500	0	46	-2.0	-134.24	391.30	10.21	-124.03
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331501	0	46	-2.0	-133.66	387.13	9.92	-123.74
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000331502	0	40	-2.0	-133.55	352.64	8.85	-124.70
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300000331503	0	48	-2.0	-144.28	393.82	8.72	-135.56
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000331504	0	40	-2.0	-134.57	341.68	6.17	-128.40
CCOC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331505	1	44	-2.0	-134.28	365.83	7.83	-126.45
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000331506	0	37	-2.0	-134.74	337.15	8.38	-126.36
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C(C)C)C=C2C=C1	REAL300000331508	1	46	-2.0	-138.12	382.61	10.46	-127.66
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000331509	0	34	-2.0	-127.90	323.29	6.97	-120.93
CC1=CSC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331510	0	37	-2.0	-130.32	328.75	7.21	-123.11
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000331511	0	34	-2.0	-121.36	313.80	4.31	-117.05
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000331512	0	36	-2.0	-128.36	317.55	5.55	-122.81
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331513	0	46	-2.0	-125.96	380.54	6.55	-119.41
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=N1	REAL300000331514	0	46	-2.0	-127.50	384.48	6.07	-121.43
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000331516	0	40	-2.0	-132.55	351.49	7.98	-124.57
CC1=NSC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331517	0	36	-2.0	-126.39	322.99	5.90	-120.49
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000331520	1	44	-2.0	-134.55	364.12	9.64	-124.91
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000331521	0	34	-2.0	-130.29	313.59	6.56	-123.73
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300000331522	0	40	-2.0	-124.50	351.22	6.22	-118.28
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000331523	1	46	-2.0	-136.03	380.15	9.12	-126.91
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000331524	1	38	-2.0	-116.90	341.21	8.03	-108.87
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C(F)C=C1[N+](=O)[O-]	REAL300000331527	0	42	-2.0	-119.81	364.92	8.78	-111.03
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331528	0	43	-2.0	-109.99	358.30	8.42	-101.57
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331528	1	42	-3.0	-216.66	362.19	8.75	-207.91
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300000331529	0	38	-2.0	-123.33	347.89	6.83	-116.50
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000331532	0	37	-2.0	-122.40	347.76	7.74	-114.66
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000331533	0	34	-2.0	-133.02	296.17	4.15	-128.87
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000331534	0	42	-2.0	-137.94	351.99	4.45	-133.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)S1	REAL300000331535	0	40	-2.0	-133.85	347.80	7.98	-125.87
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CN=C1C	REAL300000331536	0	45	-2.0	-124.33	380.64	6.96	-117.37
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000331537	0	38	-2.0	-123.17	339.39	6.36	-116.81
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331538	0	39	-2.0	-120.45	341.34	6.74	-113.71
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331539	1	46	-2.0	-140.01	391.43	9.05	-130.96
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300000331540	1	39	-2.0	-121.75	355.07	7.39	-114.36
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=NN1C	REAL300000331544	0	40	-2.0	-131.69	335.46	5.72	-125.97
C=CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331545	1	41	-2.0	-134.98	345.99	8.62	-126.36
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331546	0	40	-2.0	-127.64	337.39	5.80	-121.84
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331547	1	44	-2.0	-128.74	387.81	7.73	-121.01
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000331548	0	37	-2.0	-120.26	331.86	6.10	-114.16
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300000331550	1	42	-2.0	-132.57	360.89	4.81	-127.76
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000331552	0	37	-2.0	-120.53	328.24	4.90	-115.63
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000331553	0	43	-2.0	-127.41	359.40	7.16	-120.25
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300000331555	1	44	-2.0	-144.79	371.31	7.27	-137.52
COC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1Cl	REAL300000331556	1	41	-2.0	-125.53	360.02	7.46	-118.07
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC(N)=O)S1	REAL300000331557	0	41	-2.0	-140.63	366.77	4.17	-136.46
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000331558	0	39	-3.0	-207.72	346.82	8.09	-199.63
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000331559	0	34	-2.0	-128.50	314.70	5.53	-122.97
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000331560	0	39	-2.0	-140.59	346.29	6.94	-133.65
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000331561	1	42	-2.0	-140.73	350.70	7.37	-133.36
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000331563	0	43	-2.0	-140.54	365.02	9.82	-130.72
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300000331564	0	40	-2.0	-130.82	355.23	6.60	-124.22
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331565	0	40	-2.0	-126.28	338.01	8.92	-117.36
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000331566	0	42	-2.0	-142.50	351.41	7.34	-135.16
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(F)=C1	REAL300000331572	0	40	-2.0	-139.81	345.21	8.49	-131.32
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000331573	0	36	-2.0	-120.66	339.54	6.60	-114.06
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000331574	1	42	-2.0	-127.39	359.01	5.97	-121.42
CC1=C(F)C=C(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000331576	0	43	-2.0	-109.32	371.89	8.57	-100.75
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000331576	1	42	-3.0	-198.18	369.73	8.74	-189.44
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331578	0	41	-2.0	-137.00	349.28	7.33	-129.67
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300000331579	1	40	-2.0	-124.28	354.90	6.62	-117.66
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1[N+](=O)[O-]	REAL300000331580	1	45	-2.0	-139.28	376.19	9.62	-129.66
COC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1Cl	REAL300000331582	0	40	-2.0	-120.73	358.56	4.75	-115.98
CC1=NOC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331583	0	36	-2.0	-119.35	312.69	5.39	-113.96
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CC=C1Cl	REAL300000331584	1	40	-2.0	-127.64	349.96	8.70	-118.94
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000331585	1	43	-2.0	-137.50	364.10	8.48	-129.02
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C([N+](=O)[O-])S1	REAL300000331586	0	39	-2.0	-131.24	347.57	8.30	-122.94
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)N=S(C)(=O)N(C)C	REAL300000331587	1	42	-2.0	-143.97	356.96	3.44	-140.53
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000331588	1	40	-2.0	-122.05	357.33	5.71	-116.34
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000331589	0	36	-2.0	-130.74	315.26	5.70	-125.04
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000331592	0	36	-2.0	-122.22	317.47	5.63	-116.59
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000331594	0	35	-2.0	-128.82	326.34	6.88	-121.94
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000331597	1	37	-2.0	-119.92	337.09	8.17	-111.75
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000331598	0	46	-2.0	-138.78	376.59	7.82	-130.96
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000331599	0	45	-2.0	-141.95	367.65	8.67	-133.28
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331600	0	47	-2.0	-127.93	388.78	6.49	-121.44
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331606	1	44	-2.0	-139.58	371.94	4.93	-134.65
CC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)N1C	REAL300000331611	0	40	-2.0	-133.19	334.29	6.50	-126.69
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331612	1	50	-2.0	-134.93	404.41	9.28	-125.65
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1F	REAL300000331615	0	42	-2.0	-138.68	362.39	9.71	-128.97
CCC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CN1CC1CC1	REAL300000331616	0	50	-2.0	-147.76	410.12	9.29	-138.47
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)O1	REAL300000331617	0	43	-2.0	-131.71	371.89	6.99	-124.72
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000331618	0	40	-2.0	-128.35	355.21	7.01	-121.34
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(C)=C1[N+](=O)[O-]	REAL300000331619	1	45	-2.0	-123.66	377.06	9.73	-113.93
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300000331620	0	40	-2.0	-118.95	356.24	6.13	-112.82
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000331621	0	36	-2.0	-129.28	328.00	6.04	-123.24
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300000331622	1	47	-2.0	-144.51	380.66	10.84	-133.67
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(F)=C1F	REAL300000331624	0	40	-2.0	-138.81	342.69	8.21	-130.60
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000331626	0	39	-2.0	-144.85	340.31	6.60	-138.25
CCCCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(C)=N1	REAL300000331627	0	49	-2.0	-127.48	402.84	8.26	-119.22
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000331628	0	38	-3.0	-208.38	340.22	6.17	-202.21
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331629	0	41	-2.0	-125.82	348.29	7.61	-118.21
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000331630	1	49	-2.0	-134.40	392.69	9.86	-124.54
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000331631	1	38	-2.0	-119.74	343.26	7.95	-111.79
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300000331632	0	40	-2.0	-124.31	346.21	5.97	-118.34
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000331633	0	39	-2.0	-146.78	338.35	6.73	-140.05
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000331633	1	39	-2.0	-124.84	338.74	6.56	-118.28
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000331634	0	41	-2.0	-136.64	349.21	7.48	-129.16
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000331635	0	47	-2.0	-127.30	374.38	7.57	-119.73
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000331636	0	49	-2.0	-126.55	382.43	7.70	-118.85
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000331638	0	47	-2.0	-131.03	383.44	7.86	-123.17
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300000331639	0	40	-2.0	-115.58	347.62	6.35	-109.23
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000331641	0	38	-2.0	-129.52	330.86	5.24	-124.28
CC(C)C1=CC=CC(C(=O)[O-])=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000331641	1	38	-2.0	-107.91	322.71	5.92	-101.99
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331642	1	47	-2.0	-133.32	392.51	10.31	-123.01
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331643	0	43	-2.0	-126.47	357.94	6.64	-119.83
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1F	REAL300000331644	0	42	-2.0	-125.63	359.51	8.07	-117.56
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000331645	0	37	-2.0	-123.19	320.54	4.88	-118.31
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(C#N)=C1	REAL300000331646	0	41	-2.0	-132.02	353.81	8.43	-123.59
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331647	0	41	-2.0	-127.83	343.02	8.66	-119.17
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000331648	1	40	-2.0	-124.17	353.69	8.55	-115.62
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000331650	1	44	-2.0	-135.52	379.06	9.48	-126.04
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331651	1	43	-2.0	-120.92	356.98	9.56	-111.36
COC1=NSC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331652	0	37	-2.0	-120.04	334.42	3.33	-116.71
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000331654	0	33	-2.0	-124.78	302.05	5.23	-119.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331657	0	43	-3.0	-200.05	371.27	7.84	-192.21
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331657	1	44	-2.0	-114.35	368.32	8.14	-106.21
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C(C(N)=O)O1	REAL300000331658	0	41	-2.0	-133.36	355.48	3.12	-130.24
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331659	1	46	-2.0	-130.07	359.28	9.67	-120.40
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000331660	0	37	-2.0	-133.52	328.59	7.55	-125.97
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000331662	0	36	-3.0	-199.96	344.08	7.07	-192.89
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000331663	0	42	-2.0	-137.65	349.49	7.86	-129.79
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331664	0	44	-2.0	-125.02	373.67	7.68	-117.34
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000331665	0	38	-2.0	-128.31	340.51	7.92	-120.39
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=N1	REAL300000331666	0	36	-2.0	-126.00	313.97	3.87	-122.13
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000331667	0	44	-2.0	-127.44	365.91	7.18	-120.26
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000331668	0	44	-2.0	-128.02	360.54	7.52	-120.50
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000331669	0	47	-2.0	-127.73	384.51	8.13	-119.60
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300000331670	0	48	-2.0	-138.31	390.04	5.54	-132.77
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000331671	1	43	-2.0	-131.08	365.22	4.82	-126.26
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000331672	0	34	-2.0	-129.13	316.54	6.23	-122.90
COC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1F	REAL300000331673	1	41	-2.0	-120.49	361.88	7.04	-113.45
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000331674	0	44	-2.0	-135.16	359.16	7.57	-127.59
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1F	REAL300000331675	0	41	-2.0	-129.55	355.87	6.94	-122.61
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331676	0	47	-2.0	-137.56	389.89	8.86	-128.70
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331677	0	40	-2.0	-123.98	336.44	8.18	-115.80
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OC(C)CC2=CC=C1	REAL300000331678	0	45	-2.0	-143.30	372.27	8.11	-135.19
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000331679	0	45	-2.0	-128.33	383.85	7.20	-121.13
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300000331680	1	45	-2.0	-137.89	383.12	9.74	-128.15
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331681	0	41	-2.0	-132.46	353.00	7.93	-124.53
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000331682	0	34	-2.0	-124.93	321.48	6.93	-118.00
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000331683	0	39	-2.0	-121.12	349.90	6.66	-114.46
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331684	0	42	-2.0	-144.74	355.99	7.14	-137.60
CCN1N=NC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331685	0	39	-2.0	-120.32	330.39	4.84	-115.48
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000331687	1	38	-2.0	-121.69	330.89	6.29	-115.40
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000331688	0	40	-2.0	-137.43	353.33	9.05	-128.38
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000331689	0	40	-2.0	-149.58	360.09	7.25	-142.33
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000331690	0	44	-2.0	-128.31	364.52	7.27	-121.04
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(C)=C1F	REAL300000331691	1	46	-2.0	-128.22	366.56	9.72	-118.50
COC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1OC	REAL300000331692	0	45	-2.0	-132.55	371.28	7.40	-125.15
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000331693	0	40	-2.0	-132.99	345.69	7.79	-125.20
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1OC	REAL300000331694	0	45	-2.0	-139.52	375.94	7.60	-131.92
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300000331695	0	50	-2.0	-131.78	403.50	8.31	-123.47
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000331696	0	44	-2.0	-129.92	371.26	7.41	-122.51
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300000331697	1	41	-2.0	-134.02	354.56	7.10	-126.92
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000331698	0	40	-2.0	-140.17	344.38	6.76	-133.41
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000331699	0	42	-2.0	-144.12	359.59	5.94	-138.18
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000331700	0	44	-2.0	-134.46	350.83	9.12	-125.34
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=CN=C1N	REAL300000331701	1	41	-2.0	-131.06	343.33	5.24	-125.82
COC1=NSC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331702	0	37	-2.0	-125.30	332.76	3.37	-121.93
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)N=CN1	REAL300000331703	0	37	-2.0	-143.99	313.75	5.62	-138.37
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000331705	0	40	-2.0	-128.83	349.21	7.82	-121.01
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000331706	0	47	-2.0	-130.97	385.54	7.87	-123.10
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000331707	0	34	-2.0	-126.15	321.87	7.03	-119.12
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000331708	0	47	-2.0	-133.41	388.88	8.18	-125.23
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000331709	0	41	-2.0	-136.12	348.87	8.68	-127.44
CCCC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331710	1	46	-2.0	-135.42	378.87	9.82	-125.60
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331711	0	43	-2.0	-127.63	370.58	5.92	-121.71
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300000331712	0	38	-2.0	-128.74	338.81	7.84	-120.90
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000331713	0	44	-2.0	-130.31	359.99	7.10	-123.21
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331715	1	43	-2.0	-129.51	343.22	9.17	-120.34
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000331716	0	46	-2.0	-125.48	361.30	7.11	-118.37
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000331717	0	46	-2.0	-133.16	379.40	7.26	-125.90
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000331718	0	44	-2.0	-126.88	363.45	6.53	-120.35
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000331719	0	48	-2.0	-133.14	390.34	8.31	-124.83
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000331720	1	40	-2.0	-132.26	343.29	8.34	-123.92
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000331721	0	37	-2.0	-126.09	330.53	7.70	-118.39
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000331722	0	37	-2.0	-125.33	346.20	7.72	-117.61
CC1=NN(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331723	0	40	-2.0	-125.66	336.81	5.73	-119.93
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1C	REAL300000331725	1	43	-2.0	-133.80	346.35	8.74	-125.06
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000331726	0	40	-2.0	-128.67	340.77	8.32	-120.35
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331727	1	48	-2.0	-138.87	399.06	9.64	-129.23
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331729	1	46	-2.0	-133.41	393.71	9.17	-124.24
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000331730	0	38	-2.0	-124.10	347.05	8.25	-115.85
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000331731	0	37	-2.0	-125.88	333.87	7.65	-118.23
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000331732	1	44	-2.0	-137.47	365.23	9.60	-127.87
COC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=CS1	REAL300000331733	0	38	-2.0	-135.88	337.36	5.96	-129.92
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331734	0	43	-2.0	-124.86	381.48	7.87	-116.99
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000331735	0	44	-2.0	-135.09	369.42	9.67	-125.42
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000331736	0	47	-2.0	-126.88	379.72	8.12	-118.76
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331737	0	46	-2.0	-127.97	374.34	7.34	-120.63
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1	REAL300000331738	1	46	-2.0	-142.68	385.93	5.07	-137.61
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000331740	0	42	-2.0	-139.19	358.61	5.90	-133.29
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)O1	REAL300000331741	0	40	-2.0	-131.03	342.10	7.09	-123.94
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000331742	0	37	-2.0	-119.79	339.87	6.71	-113.08
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331743	0	41	-2.0	-127.57	356.40	7.39	-120.18
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000331744	1	43	-2.0	-131.33	367.69	9.14	-122.19
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000331745	1	41	-2.0	-131.76	353.73	7.19	-124.57
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)S1	REAL300000331746	0	38	-2.0	-127.72	338.96	6.00	-121.72
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C2=NC=CC=C12	REAL300000331747	0	48	-2.0	-143.05	381.50	9.74	-133.31
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000331749	0	40	-2.0	-127.84	347.58	6.24	-121.60
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331750	1	47	-2.0	-135.32	391.40	8.30	-127.02
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300000331751	0	47	-2.0	-131.44	394.27	8.72	-122.72
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000331752	0	50	-2.0	-131.83	401.70	8.47	-123.36
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000331753	1	40	-2.0	-132.02	333.94	8.35	-123.67
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000331754	0	40	-2.0	-138.68	340.68	7.93	-130.75
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000331755	1	39	-2.0	-138.30	346.95	6.89	-131.41
CCN1N=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=N1	REAL300000331756	0	39	-2.0	-132.23	335.21	4.49	-127.74
CCN1N=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1Cl	REAL300000331757	0	40	-2.0	-126.11	357.15	6.45	-119.66
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000331758	0	34	-2.0	-121.73	315.76	6.11	-115.62
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C2=CC=CC=C12	REAL300000331759	1	46	-2.0	-142.28	371.77	10.20	-132.08
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000331761	0	37	-2.0	-127.50	338.12	8.05	-119.45
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300000331762	0	47	-2.0	-132.10	386.17	8.69	-123.41
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000331764	0	41	-2.0	-134.08	359.13	8.84	-125.24
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300000331765	0	40	-2.0	-125.17	359.95	8.41	-116.76
CC1=COC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331767	0	37	-2.0	-133.64	319.89	6.19	-127.45
COC1=CSC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1OC	REAL300000331768	0	42	-2.0	-129.81	368.18	5.55	-124.26
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000331769	0	36	-2.0	-115.17	332.13	6.23	-108.94
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000331770	0	43	-2.0	-131.32	358.84	7.47	-123.85
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000331771	1	44	-2.0	-144.22	369.03	9.28	-134.94
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300000331772	0	34	-2.0	-118.89	339.55	7.72	-111.17
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000331773	0	37	-2.0	-125.49	335.35	5.58	-119.91
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300000331774	1	42	-2.0	-127.59	367.52	8.21	-119.38
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000331775	0	43	-2.0	-140.94	349.82	9.16	-131.78
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000331776	0	35	-2.0	-128.59	316.33	6.10	-122.49
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331777	0	39	-2.0	-122.95	341.65	6.78	-116.17
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331778	1	48	-2.0	-134.54	398.15	9.23	-125.31
CCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(C2CC2)=N1	REAL300000331779	0	47	-2.0	-130.49	392.79	8.29	-122.20
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C2=NSN=C2C=C1	REAL300000331780	0	41	-2.0	-129.33	347.89	6.69	-122.64
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(=O)NC(=O)N1	REAL300000331781	1	40	-2.0	-116.54	333.74	3.34	-113.20
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331783	0	50	-2.0	-130.07	401.68	8.72	-121.35
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000331784	0	34	-2.0	-126.81	314.33	6.01	-120.80
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000331785	0	34	-2.0	-122.81	324.13	7.04	-115.77
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000331786	0	45	-2.0	-124.39	365.62	5.19	-119.20
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000331787	1	44	-2.0	-135.11	356.43	9.54	-125.57
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(C)=N1	REAL300000331791	1	43	-2.0	-124.45	355.88	4.84	-119.61
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331792	0	43	-2.0	-135.37	362.86	5.30	-130.07
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331793	0	40	-2.0	-128.87	357.35	5.16	-123.71
COC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C	REAL300000331794	0	43	-2.0	-127.26	363.33	4.91	-122.35
CC(C)CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=N1	REAL300000331795	0	46	-2.0	-126.67	382.31	7.65	-119.02
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C(C)C	REAL300000331796	0	46	-2.0	-129.56	377.63	7.18	-122.38
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300000331797	0	36	-2.0	-127.69	342.20	5.51	-122.18
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000331798	0	35	-2.0	-126.27	318.26	5.92	-120.35
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000331799	0	35	-2.0	-127.81	327.38	6.84	-120.97
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000331800	0	43	-2.0	-126.91	356.87	6.76	-120.15
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C1C	REAL300000331801	0	45	-2.0	-124.83	382.54	6.87	-117.96
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300000331802	0	40	-2.0	-132.94	350.51	9.66	-123.28
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000331803	0	44	-2.0	-122.59	368.28	7.40	-115.19
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000331804	0	44	-2.0	-127.16	362.96	8.47	-118.69
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=NN1C(C)C	REAL300000331806	0	46	-2.0	-133.60	378.40	7.19	-126.41
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300000331807	1	44	-2.0	-136.84	375.31	9.71	-127.13
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000331808	0	39	-2.0	-130.88	344.55	6.63	-124.25
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300000331810	1	44	-2.0	-134.02	376.91	9.75	-124.27
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300000331811	0	41	-2.0	-129.92	365.92	7.98	-121.94
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000331812	1	38	-2.0	-132.62	325.50	4.75	-127.87
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000331813	0	40	-2.0	-134.10	348.25	8.35	-125.75
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000331814	0	33	-2.0	-122.88	300.56	5.14	-117.74
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000331815	0	41	-2.0	-149.82	362.37	6.88	-142.94
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300000331816	1	44	-2.0	-138.95	368.66	9.67	-129.28
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C(C(F)F)=C1	REAL300000331817	1	44	-2.0	-134.61	362.41	7.92	-126.69
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C2=NC=CC=C12	REAL300000331818	0	45	-2.0	-148.35	372.30	8.75	-139.60
CCC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000331819	0	42	-3.0	-209.59	366.59	8.04	-201.55
CCC1=C(S(=O)(=O)NC2=C(C(=O)[O-])C=CC=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000331819	1	43	-2.0	-104.67	362.43	6.92	-97.75
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331820	0	50	-2.0	-141.89	404.89	9.46	-132.43
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)C=C(Cl)S1	REAL300000331821	0	37	-2.0	-125.51	339.33	7.84	-117.67
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000331822	0	33	-2.0	-124.24	301.89	4.64	-119.60
CC(C)C1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000331823	0	44	-2.0	-134.24	361.66	6.82	-127.42
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C(C)C)=C1	REAL300000331824	0	40	-2.0	-138.29	337.49	8.15	-130.14
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000331825	0	39	-2.0	-106.35	354.21	3.38	-102.97
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000331826	0	39	-2.0	-97.26	349.64	3.36	-93.90
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000331827	0	39	-2.0	-110.61	349.67	3.35	-107.26
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000331828	0	43	-2.0	-116.95	377.51	3.16	-113.79
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000331829	0	43	-2.0	-97.27	381.12	4.65	-92.62
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000331830	0	42	-2.0	-109.85	364.85	3.91	-105.94
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000331831	0	39	-2.0	-107.00	362.74	3.91	-103.09
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000331832	0	39	-2.0	-104.69	362.17	3.74	-100.95
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000331833	0	45	-2.0	-113.08	382.87	4.69	-108.39
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000331834	0	39	-2.0	-108.30	355.12	3.41	-104.89
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000331835	0	45	-2.0	-96.79	393.24	4.94	-91.85
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000331836	0	36	-2.0	-104.58	342.85	2.36	-102.22
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000331837	0	42	-2.0	-111.05	365.63	4.12	-106.93
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000331838	0	43	-2.0	-96.03	380.46	3.64	-92.39
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000331839	0	40	-2.0	-108.52	356.30	2.71	-105.81
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000331840	1	43	-2.0	-111.85	374.28	2.16	-109.69
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000331841	0	39	-2.0	-99.65	358.78	3.02	-96.63
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000331842	0	45	-2.0	-112.19	380.31	4.68	-107.51
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000331843	0	36	-2.0	-104.82	341.04	2.39	-102.43
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000331844	0	43	-2.0	-114.52	376.94	3.42	-111.10
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1NC(C)=O	REAL300000331845	0	45	-2.0	-109.39	380.60	5.04	-104.35
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000331846	0	39	-2.0	-103.72	353.49	2.48	-101.24
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000331847	0	43	-2.0	-108.04	378.57	2.43	-105.61
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000331848	0	42	-2.0	-101.49	370.91	4.16	-97.33
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000331849	0	39	-2.0	-107.24	360.19	3.20	-104.04
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000331850	0	39	-2.0	-94.84	362.72	3.91	-90.93
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000331851	0	39	-2.0	-96.63	354.19	3.39	-93.24
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000331852	0	36	-2.0	-98.57	341.64	2.48	-96.09
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000331853	0	39	-2.0	-100.01	356.08	3.40	-96.61
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000331854	0	42	-2.0	-109.70	375.13	4.06	-105.64
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000331855	0	39	-2.0	-96.24	355.11	3.43	-92.81
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000331856	0	39	-2.0	-94.71	361.87	3.76	-90.95
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000331857	0	40	-2.0	-110.53	359.91	1.05	-109.48
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000331858	0	42	-2.0	-101.76	371.84	4.13	-97.63
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000331859	0	42	-2.0	-104.83	359.14	4.00	-100.83
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000331860	0	42	-2.0	-107.63	374.20	4.01	-103.62
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000331861	0	42	-2.0	-97.47	365.89	4.11	-93.36
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000331862	0	45	-2.0	-113.26	383.74	4.42	-108.84
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000331863	0	45	-2.0	-109.51	383.99	4.74	-104.77
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000331864	0	42	-2.0	-110.78	375.66	4.04	-106.74
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000331865	0	42	-2.0	-111.99	374.70	4.04	-107.95
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000331866	0	45	-2.0	-110.47	384.36	4.56	-105.91
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000331867	0	43	-2.0	-109.81	377.33	3.57	-106.24
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000331868	0	42	-2.0	-97.15	365.39	3.89	-93.26
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000331869	0	42	-2.0	-108.64	370.04	4.17	-104.47
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000331870	0	39	-2.0	-111.29	353.01	3.39	-107.90
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000331871	0	42	-2.0	-101.72	370.52	3.92	-97.80
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000331872	0	38	-2.0	-108.47	346.63	1.41	-107.06
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000331873	0	43	-2.0	-101.52	377.58	3.16	-98.36
COC1=CC=C(NC(C)=O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000331874	0	36	-2.0	-98.21	349.75	2.34	-95.87
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2NC(C)=O)C=C(C(=O)[O-])O1	REAL300000331875	0	42	-2.0	-103.55	372.61	3.33	-100.22
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000331876	1	44	-2.0	-106.71	389.21	5.95	-100.76
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000331877	1	44	-2.0	-93.12	384.66	5.92	-87.20
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000331878	1	44	-2.0	-105.04	384.70	5.91	-99.13
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000331879	1	47	-2.0	-107.38	404.77	6.56	-100.82
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000331880	0	44	-2.0	-106.82	390.16	5.98	-100.84
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000331881	0	41	-2.0	-103.42	377.87	4.94	-98.48
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000331882	1	47	-2.0	-105.62	400.11	6.71	-98.91
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000331883	0	45	-2.0	-103.55	391.33	5.27	-98.28
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000331884	0	44	-2.0	-95.79	393.79	5.60	-90.19
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000331885	0	41	-2.0	-104.95	376.33	4.96	-99.99
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000331886	0	44	-2.0	-99.07	387.71	5.06	-94.01
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000331887	0	44	-2.0	-102.29	393.31	5.83	-96.46
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000331888	1	44	-2.0	-92.88	389.21	5.96	-86.92
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000331889	0	41	-2.0	-94.70	376.94	5.04	-89.66
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000331890	1	44	-2.0	-96.12	391.08	5.98	-90.14
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000331891	0	44	-2.0	-95.94	390.15	5.99	-89.95
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000331892	0	45	-2.0	-104.37	394.39	3.64	-100.73
CCC(C)NC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000331892	1	45	-2.0	-109.64	393.62	4.44	-105.20
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000331893	1	47	-2.0	-96.06	406.85	6.70	-89.36
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000331894	1	47	-2.0	-103.06	397.97	6.67	-96.39
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000331895	1	47	-2.0	-97.20	400.09	6.70	-90.50
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000331896	0	48	-2.0	-104.83	412.70	6.14	-98.69
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000331897	1	47	-2.0	-96.89	400.69	6.46	-90.43
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000331898	0	44	-2.0	-109.54	388.34	5.94	-103.60
CCC(C)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000331899	0	43	-2.0	-106.69	380.89	4.05	-102.64
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)CC)C=C2)C=C(C(=O)[O-])O1	REAL300000331900	0	47	-2.0	-98.93	406.80	5.91	-93.02
CN(C1=CC=CC2=CC=CC=C21)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000331927	0	40	-2.0	-112.33	366.99	9.57	-102.76
CN(C1=CC=CC2=CC=CC=C21)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000331950	0	38	-2.0	-111.90	336.56	7.67	-104.23
CN(C1=CC=C(F)C(F)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000332010	0	34	-2.0	-107.79	331.41	7.21	-100.58
CN(C1=CC=C(F)C(F)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000332038	0	32	-2.0	-107.08	302.82	5.33	-101.75
CC(C)(C)NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000332075	0	44	-2.0	-118.39	379.48	5.75	-112.64
CC(C)(C)NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000332076	0	44	-2.0	-108.11	374.92	5.73	-102.38
CC(C)(C)NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000332077	0	44	-2.0	-121.56	374.94	5.72	-115.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(C)(C)C)C=C1C(=O)[O-]	REAL300000332078	0	47	-2.0	-123.01	390.96	6.25	-116.76
CC(C)(C)NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000332079	0	44	-2.0	-117.84	380.42	5.78	-112.06
CC(C)(C)NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000332080	0	41	-2.0	-115.65	368.13	4.74	-110.91
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)(C)C	REAL300000332081	0	47	-2.0	-120.00	390.37	6.50	-113.50
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(C)(C)C)C=C1C(=O)[O-]	REAL300000332082	0	45	-2.0	-119.88	381.59	5.06	-114.82
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(C)(C)C)=C1	REAL300000332083	0	44	-2.0	-111.69	384.05	5.40	-106.29
CC(C)(C)NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000332084	0	41	-2.0	-116.94	366.59	4.75	-112.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(C)(C)C)C=C(C(=O)[O-])O1	REAL300000332085	0	44	-2.0	-113.63	377.95	4.86	-108.77
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(C)(C)C)C=C(C(=O)[O-])S1	REAL300000332086	0	44	-2.0	-116.42	384.63	5.60	-110.82
CC(C)(C)NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000332087	0	44	-2.0	-107.35	379.47	5.76	-101.59
CC(C)(C)NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000332088	0	41	-2.0	-110.20	367.20	4.85	-105.35
CC(C)(C)NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000332089	0	44	-2.0	-112.15	381.34	5.78	-106.37
CC(C)(C)NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000332090	0	44	-2.0	-108.06	380.40	5.79	-102.27
CC(C)(C)NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000332091	0	45	-2.0	-117.95	384.66	3.42	-114.53
CC(C)(C)NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000332092	0	47	-2.0	-110.75	397.11	6.50	-104.25
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)(C)C	REAL300000332093	0	47	-2.0	-118.55	384.98	6.37	-112.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)(C)C	REAL300000332094	0	47	-2.0	-107.45	390.35	6.49	-100.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(C)(C)C)C=C1C(=O)[O-]	REAL300000332095	0	48	-2.0	-121.28	402.97	5.94	-115.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(C)(C)C)=CC=C1C(=O)[O-]	REAL300000332096	0	47	-2.0	-109.96	395.01	6.36	-103.60
CC(C)(C)NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000332097	0	44	-2.0	-127.46	378.58	5.74	-121.72
CC(C)(C)NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000332098	0	43	-2.0	-119.84	371.15	3.84	-116.00
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(C)(C)C)C=C(C(=O)[O-])O1	REAL300000332099	0	47	-2.0	-111.54	393.26	5.69	-105.85
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000332100	0	39	-2.0	-107.74	360.02	6.33	-101.41
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000332101	0	39	-2.0	-97.70	355.45	6.31	-91.39
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000332102	0	39	-2.0	-110.14	355.47	6.30	-103.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(C)C	REAL300000332103	0	43	-2.0	-116.09	383.59	6.10	-109.99
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000332104	0	43	-2.0	-96.79	386.93	7.60	-89.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000332105	0	42	-2.0	-111.24	371.33	6.82	-104.42
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000332106	0	39	-2.0	-105.94	368.55	6.88	-99.06
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000332107	0	39	-2.0	-105.86	367.97	6.69	-99.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)=C1C	REAL300000332108	0	45	-2.0	-113.44	388.62	7.62	-105.82
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000332109	0	39	-2.0	-107.80	360.96	6.37	-101.43
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000332110	0	45	-2.0	-96.21	399.04	7.88	-88.33
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000332111	0	36	-2.0	-104.66	348.64	5.32	-99.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(C)C	REAL300000332112	0	42	-2.0	-111.47	370.89	7.07	-104.40
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000332113	0	43	-2.0	-95.49	386.52	6.58	-88.91
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000332114	0	40	-2.0	-108.71	362.10	5.66	-103.05
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(C)C	REAL300000332115	0	43	-2.0	-111.47	379.70	5.11	-106.36
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)=C1	REAL300000332116	0	39	-2.0	-100.67	364.56	5.98	-94.69
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000332117	0	45	-2.0	-112.92	387.52	7.66	-105.26
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000332118	0	36	-2.0	-105.74	347.10	5.33	-100.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000332119	0	43	-2.0	-116.19	382.77	6.37	-109.82
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(C)C	REAL300000332120	0	45	-2.0	-109.22	385.61	8.02	-101.20
CC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000332121	0	39	-2.0	-104.28	358.48	5.45	-98.83
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)=C1	REAL300000332122	0	43	-2.0	-110.77	384.44	5.39	-105.38
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(C)C	REAL300000332123	0	42	-2.0	-101.73	376.13	7.12	-94.61
CC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)C=C(C(=O)[O-])S1	REAL300000332124	0	39	-2.0	-107.61	364.11	6.19	-101.42
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000332125	0	39	-2.0	-95.06	368.51	6.87	-88.19
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000332126	0	39	-2.0	-97.09	359.98	6.34	-90.75
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000332127	0	36	-2.0	-99.47	347.71	5.42	-94.05
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000332128	0	39	-2.0	-101.22	361.89	6.37	-94.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)=C1F	REAL300000332129	0	42	-2.0	-109.25	381.20	7.00	-102.25
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000332130	0	39	-2.0	-97.10	360.92	6.37	-90.73
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332131	0	39	-2.0	-95.11	367.95	6.70	-88.41
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000332132	0	39	-2.0	-99.02	366.29	6.39	-92.63
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000332133	0	40	-2.0	-110.31	365.17	4.02	-106.29
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000332134	0	42	-2.0	-101.41	377.66	7.08	-94.33
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(C)C	REAL300000332135	0	42	-2.0	-105.96	365.46	6.93	-99.03
CC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)=CC(C(=O)[O-])=C1F	REAL300000332136	0	42	-2.0	-109.10	380.31	6.95	-102.15
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(C)C	REAL300000332137	0	42	-2.0	-97.69	370.88	7.07	-90.62
CC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)=CC(C(=O)[O-])=C1C	REAL300000332138	0	45	-2.0	-113.61	389.49	7.41	-106.20
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000332139	0	39	-2.0	-99.38	367.21	6.43	-92.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)C(C)=C1C(=O)[O-]	REAL300000332140	0	45	-2.0	-110.33	389.82	7.69	-102.64
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000332141	0	42	-2.0	-109.17	376.83	6.90	-102.27
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)=C1	REAL300000332142	0	42	-2.0	-114.93	380.49	6.99	-107.94
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000332143	0	45	-2.0	-112.24	390.16	7.51	-104.73
CCN1C=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000332144	0	43	-2.0	-109.74	383.41	6.52	-103.22
CC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000332145	0	42	-2.0	-97.90	371.37	6.85	-91.05
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(C)C	REAL300000332146	0	42	-2.0	-108.51	375.43	7.12	-101.39
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000332147	0	39	-2.0	-113.77	359.08	6.33	-107.44
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000332148	0	42	-2.0	-101.80	376.26	6.87	-94.93
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000332149	0	38	-2.0	-108.02	352.42	4.36	-103.66
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(C)C	REAL300000332150	0	43	-2.0	-101.91	383.68	6.09	-95.82
CC(C)OC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000332151	0	36	-2.0	-98.20	355.58	5.28	-92.92
CCC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000332152	0	42	-2.0	-103.97	377.60	6.29	-97.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(Cl)=C2)=C1	REAL300000332154	1	42	-2.0	-103.51	375.80	7.74	-95.77
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000332155	1	43	-2.0	-101.95	382.45	7.10	-94.85
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000332156	0	42	-2.0	-97.35	379.29	6.89	-90.46
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(Cl)=C2)=C1	REAL300000332157	0	41	-2.0	-104.22	372.79	5.81	-98.41
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000332158	0	35	-2.0	-103.72	341.26	5.99	-97.73
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000332159	0	35	-2.0	-93.29	336.71	5.98	-87.31
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000332160	0	35	-2.0	-105.05	336.74	5.97	-99.08
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000332161	0	39	-2.0	-111.14	364.85	5.76	-105.38
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000332162	0	39	-2.0	-92.81	368.18	7.27	-85.54
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000332163	0	38	-2.0	-106.22	352.74	6.50	-99.72
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000332164	0	35	-2.0	-101.15	349.80	6.54	-94.61
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000332165	0	35	-2.0	-102.08	349.23	6.35	-95.73
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000332166	0	41	-2.0	-108.86	369.39	7.32	-101.54
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000332167	0	35	-2.0	-103.00	342.19	6.02	-96.98
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000332168	0	41	-2.0	-91.96	380.30	7.55	-84.41
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000332169	0	32	-2.0	-100.43	329.91	4.99	-95.44
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000332170	0	38	-2.0	-106.55	352.16	6.75	-99.80
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000332171	0	39	-2.0	-91.36	367.81	6.26	-85.10
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000332172	0	36	-2.0	-104.52	343.37	5.32	-99.20
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000332173	0	39	-2.0	-107.23	360.51	4.81	-102.42
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000332174	0	35	-2.0	-95.99	345.83	5.65	-90.34
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000332175	0	41	-2.0	-107.80	368.18	7.28	-100.52
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000332176	0	32	-2.0	-101.88	328.39	5.00	-96.88
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000332177	0	39	-2.0	-112.16	364.02	6.04	-106.12
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000332178	0	44	-2.0	-108.69	390.60	7.97	-100.72
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000332179	0	41	-2.0	-104.53	359.24	7.45	-97.08
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000332180	0	42	-2.0	-112.01	387.15	6.53	-105.48
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000332181	0	37	-3.0	-181.45	365.13	6.54	-174.91
CCOC1=C(Cl)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000332181	1	38	-2.0	-104.17	365.10	6.48	-97.69
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000332182	0	42	-2.0	-109.65	380.97	7.87	-101.78
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000332183	0	35	-2.0	-98.91	339.73	5.11	-93.80
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000332184	0	39	-2.0	-106.38	365.64	5.06	-101.32
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000332185	0	42	-2.0	-91.79	387.89	6.95	-84.84
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000332186	0	38	-2.0	-97.21	357.43	6.79	-90.42
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OCC)C=C1C(=O)[O-]	REAL300000332187	0	42	-2.0	-111.53	385.87	6.95	-104.58
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000332188	0	35	-2.0	-102.88	346.42	5.86	-97.02
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000332189	0	35	-2.0	-90.84	349.78	6.54	-84.30
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000332190	0	35	-2.0	-92.76	341.24	6.00	-86.76
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000332191	0	32	-2.0	-94.82	328.99	5.10	-89.72
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000332192	0	35	-2.0	-96.19	343.14	6.04	-90.15
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000332193	0	38	-2.0	-104.50	362.48	6.68	-97.82
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000332194	0	35	-2.0	-92.95	342.19	6.04	-86.91
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332195	0	35	-2.0	-90.81	349.21	6.36	-84.45
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000332196	0	35	-2.0	-95.28	347.55	6.06	-89.22
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000332197	0	36	-2.0	-105.04	346.44	3.66	-101.38
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000332198	0	38	-2.0	-97.77	358.91	6.75	-91.02
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000332199	0	38	-2.0	-101.31	346.77	6.61	-94.70
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000332200	0	38	-2.0	-103.95	361.56	6.62	-97.33
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000332201	0	38	-2.0	-93.34	352.14	6.74	-86.60
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000332202	0	41	-2.0	-109.35	370.19	7.06	-102.29
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000332203	0	35	-2.0	-94.32	348.46	6.10	-88.22
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000332204	0	41	-2.0	-105.80	370.26	7.38	-98.42
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000332205	0	38	-2.0	-105.34	362.04	6.67	-98.67
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000332206	0	38	-2.0	-110.20	361.76	6.66	-103.54
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000332207	0	41	-2.0	-106.89	371.04	7.15	-99.74
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000332208	0	42	-2.0	-106.60	387.20	6.09	-100.51
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000332209	0	39	-2.0	-104.85	364.67	6.17	-98.68
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000332210	0	38	-2.0	-93.47	352.73	6.52	-86.95
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000332211	0	38	-2.0	-104.32	356.26	6.80	-97.52
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000332212	0	35	-2.0	-109.36	340.36	6.00	-103.36
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000332213	0	38	-2.0	-97.92	357.89	6.54	-91.38
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000332214	0	34	-2.0	-102.48	333.71	4.04	-98.44
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000332215	0	39	-2.0	-97.46	364.93	5.77	-91.69
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000332216	0	32	-2.0	-93.69	336.83	4.94	-88.75
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000332217	0	42	-2.0	-99.94	381.32	7.81	-92.13
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000332218	0	42	-2.0	-94.85	381.81	7.85	-87.00
CCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000332219	0	38	-2.0	-99.40	355.82	5.86	-93.54
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000332220	1	38	-2.0	-111.42	356.06	5.96	-105.46
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000332221	1	38	-2.0	-101.54	351.51	5.94	-95.60
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000332222	1	38	-2.0	-113.93	351.52	5.93	-108.00
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000332223	0	42	-2.0	-118.47	379.66	5.73	-112.74
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000332224	1	42	-2.0	-100.84	382.99	7.22	-93.62
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000332225	1	41	-2.0	-115.04	367.54	6.46	-108.58
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000332226	0	38	-2.0	-108.66	364.59	6.50	-102.16
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000332227	1	38	-2.0	-109.73	364.04	6.32	-103.41
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000332228	1	44	-2.0	-115.89	384.20	7.28	-108.61
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000332229	0	38	-2.0	-110.46	357.00	5.99	-104.47
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000332230	1	44	-2.0	-99.90	395.11	7.51	-92.39
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000332231	0	35	-2.0	-108.24	344.70	4.94	-103.30
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000332232	1	41	-2.0	-113.74	366.95	6.71	-107.03
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000332233	1	42	-2.0	-99.59	382.60	6.21	-93.38
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000332234	0	39	-2.0	-112.40	358.17	5.28	-107.12
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000332236	0	38	-2.0	-104.46	360.63	5.61	-98.85
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000332237	1	44	-2.0	-115.28	382.59	7.28	-108.00
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000332238	0	35	-2.0	-109.68	343.17	4.96	-104.72
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000332239	1	42	-2.0	-119.81	378.81	6.00	-113.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC(=O)OC)=C1	REAL300000332240	1	44	-2.0	-111.77	381.69	7.66	-104.11
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000332241	0	38	-2.0	-107.30	354.53	5.06	-102.24
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000332242	0	42	-2.0	-115.38	380.51	5.02	-110.36
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000332243	1	41	-2.0	-104.52	372.23	6.74	-97.78
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000332244	0	38	-2.0	-110.28	361.21	5.81	-104.47
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000332245	0	38	-2.0	-99.04	364.57	6.49	-92.55
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000332246	1	38	-2.0	-101.06	356.05	5.97	-95.09
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000332247	0	35	-2.0	-103.22	343.79	5.06	-98.16
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000332248	1	38	-2.0	-104.79	357.93	5.99	-98.80
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000332249	0	41	-2.0	-111.90	377.28	6.63	-105.27
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000332250	0	38	-2.0	-101.06	356.99	6.00	-95.06
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332251	1	38	-2.0	-99.08	364.02	6.33	-92.75
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000332252	0	39	-2.0	-112.34	361.22	3.65	-108.69
COC(=O)COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000332252	1	39	-2.0	-111.88	360.33	4.51	-107.37
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000332253	1	41	-2.0	-104.27	373.71	6.70	-97.57
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000332254	1	41	-2.0	-110.88	361.59	6.57	-104.31
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000332255	1	41	-2.0	-112.75	376.35	6.58	-106.17
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000332256	1	41	-2.0	-101.49	366.93	6.70	-94.79
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000332257	1	44	-2.0	-118.44	388.32	7.10	-111.34
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000332258	1	44	-2.0	-115.27	384.91	7.33	-107.94
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000332259	0	41	-2.0	-112.74	376.84	6.63	-106.11
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000332260	0	41	-2.0	-119.84	376.56	6.62	-113.22
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000332261	1	44	-2.0	-115.74	385.46	7.11	-108.63
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCC(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000332262	0	42	-2.0	-113.67	379.66	6.14	-107.53
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000332263	1	41	-2.0	-101.67	367.53	6.47	-95.20
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000332264	1	41	-2.0	-111.43	371.06	6.77	-104.66
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000332265	0	38	-2.0	-119.08	355.18	5.96	-113.12
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000332266	1	41	-2.0	-106.73	376.46	6.61	-100.12
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000332267	0	37	-2.0	-109.90	348.51	3.98	-105.92
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000332268	0	42	-2.0	-105.59	379.72	5.73	-99.86
COC(=O)COC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000332269	0	35	-2.0	-101.40	351.67	4.90	-96.50
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000332270	0	41	-2.0	-106.98	373.65	5.91	-101.07
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000332282	1	32	-2.0	-107.12	316.59	4.94	-102.18
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000332284	1	29	-2.0	-104.29	304.31	3.90	-100.39
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000332289	1	32	-2.0	-100.29	320.23	4.56	-95.73
COC1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000332297	0	35	-2.0	-109.20	338.94	5.36	-103.84
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000332311	1	29	-2.0	-99.06	303.38	4.00	-95.06
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000332313	1	35	-2.0	-108.66	336.87	5.58	-103.08
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000332314	1	32	-2.0	-96.74	316.58	4.94	-91.80
COC1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000332320	0	33	-2.0	-112.68	315.76	2.93	-109.75
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000332328	1	32	-2.0	-98.83	322.88	5.00	-93.83
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000332330	1	35	-2.0	-109.48	336.36	5.56	-103.92
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000332332	1	35	-2.0	-114.45	336.16	5.57	-108.88
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000332342	1	34	-2.0	-116.53	334.85	6.72	-109.81
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000332343	1	32	-2.0	-113.58	314.75	4.90	-108.68
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000332346	0	31	-2.0	-106.99	308.09	2.93	-104.06
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000332348	1	29	-2.0	-97.62	311.22	3.85	-93.77
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000332352	1	32	-2.0	-105.73	326.29	6.63	-99.10
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000332353	1	32	-2.0	-95.79	321.74	6.62	-89.17
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000332354	0	32	-2.0	-108.32	321.75	6.61	-101.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1SC	REAL300000332355	0	36	-2.0	-113.77	349.89	6.41	-107.36
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000332356	0	36	-2.0	-95.09	353.21	7.89	-87.20
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000332357	1	35	-2.0	-109.55	337.76	7.13	-102.42
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000332358	0	32	-2.0	-103.86	334.82	7.18	-96.68
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000332359	0	32	-2.0	-104.15	334.26	6.99	-97.16
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000332360	0	38	-2.0	-111.08	354.85	7.93	-103.15
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000332361	0	32	-2.0	-105.77	327.22	6.67	-99.10
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000332362	0	38	-2.0	-94.39	365.33	8.19	-86.20
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000332363	0	29	-2.0	-102.81	314.93	5.62	-97.19
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000332364	0	35	-2.0	-109.10	337.18	7.40	-101.70
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000332365	1	36	-2.0	-93.73	352.81	6.88	-86.85
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000332366	0	33	-2.0	-106.66	328.39	5.95	-100.71
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000332367	1	36	-2.0	-109.39	345.94	5.42	-103.97
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000332368	0	32	-2.0	-98.86	330.85	6.28	-92.58
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000332369	1	38	-2.0	-110.44	353.20	7.92	-102.52
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000332370	0	29	-2.0	-104.11	313.39	5.64	-98.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2SC)C=C1C(=O)[O-]	REAL300000332371	1	36	-2.0	-114.19	349.03	6.68	-107.51
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000332372	0	41	-2.0	-111.14	375.64	8.61	-102.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1SC	REAL300000332373	0	38	-2.0	-107.14	350.61	8.27	-98.87
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000332374	0	39	-2.0	-113.44	365.99	8.50	-104.94
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000332375	0	32	-2.0	-102.25	324.75	5.74	-96.51
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000332376	0	36	-2.0	-108.98	350.71	5.70	-103.28
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000332377	0	35	-2.0	-99.81	342.46	7.41	-92.40
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000332378	0	32	-2.0	-105.41	331.44	6.48	-98.93
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000332379	0	32	-2.0	-93.16	334.80	7.17	-85.99
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000332380	0	32	-2.0	-95.23	326.27	6.65	-88.58
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000332381	0	29	-2.0	-97.63	314.01	5.73	-91.90
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000332382	0	32	-2.0	-99.31	328.16	6.66	-92.65
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000332383	0	35	-2.0	-107.26	347.50	7.31	-99.95
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000332384	0	32	-2.0	-95.22	327.21	6.68	-88.54
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332385	0	32	-2.0	-93.34	334.24	7.01	-86.33
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000332386	0	32	-2.0	-97.33	332.56	6.70	-90.63
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000332387	0	33	-2.0	-107.90	331.46	4.32	-103.58
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000332388	0	35	-2.0	-99.44	343.93	7.38	-92.06
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000332389	0	35	-2.0	-104.26	331.78	7.24	-97.02
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000332390	1	35	-2.0	-107.14	346.58	7.26	-99.88
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000332391	1	35	-2.0	-95.81	337.16	7.38	-88.43
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000332392	1	38	-2.0	-111.48	355.21	7.68	-103.80
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000332393	0	32	-2.0	-97.50	333.48	6.73	-90.77
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000332394	1	38	-2.0	-108.51	356.22	8.00	-100.51
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000332395	0	35	-2.0	-106.92	343.22	7.21	-99.71
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000332396	0	35	-2.0	-113.09	346.79	7.30	-105.79
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2SC)C=C1C(=O)[O-]	REAL300000332397	1	38	-2.0	-110.22	356.07	7.79	-102.43
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2SC)C=C1C(=O)[O-]	REAL300000332398	0	36	-2.0	-107.88	349.70	6.81	-101.07
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000332399	1	35	-2.0	-95.93	337.75	7.15	-88.78
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000332400	1	35	-2.0	-106.42	341.69	7.42	-99.00
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000332401	0	32	-2.0	-112.24	325.37	6.63	-105.61
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000332402	0	35	-2.0	-100.10	342.91	7.18	-92.92
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000332403	0	31	-2.0	-105.58	318.72	4.66	-100.92
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1SC	REAL300000332404	0	36	-2.0	-99.85	349.95	6.40	-93.45
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000332405	0	29	-2.0	-96.24	321.84	5.57	-90.67
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000332406	0	39	-2.0	-102.22	367.87	8.50	-93.72
CSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000332407	0	39	-2.0	-105.05	365.83	8.47	-96.58
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2SC)C=C(C(=O)[O-])O1	REAL300000332408	0	35	-2.0	-101.88	343.87	6.59	-95.29
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)=C1	REAL300000332409	1	38	-2.0	-91.80	354.21	6.35	-85.45
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000332410	1	38	-2.0	-103.68	354.23	6.34	-97.34
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(F)(F)F)=C1	REAL300000332411	0	35	-2.0	-98.33	347.42	5.36	-92.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000332412	0	39	-2.0	-102.17	360.87	5.69	-96.48
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000332413	0	35	-2.0	-99.61	345.88	5.37	-94.24
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000332414	0	38	-2.0	-97.42	357.24	5.48	-91.94
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(F)(F)F)=C1	REAL300000332415	0	35	-2.0	-93.40	346.49	5.47	-87.93
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(F)(F)F)=C1	REAL300000332416	0	37	-2.0	-101.39	350.44	4.45	-96.94
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000332417	0	43	-2.0	-84.06	385.30	0.53	-83.53
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000332418	0	36	-2.0	-98.68	333.39	1.98	-96.70
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000332419	0	44	-2.0	-100.38	388.47	3.06	-97.32
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000332420	0	36	-2.0	-89.16	328.83	1.96	-87.20
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000332421	0	36	-2.0	-100.48	328.84	1.95	-98.53
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000332422	0	40	-2.0	-105.80	356.99	1.76	-104.04
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000332423	0	36	-2.0	-96.20	345.11	2.44	-93.76
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000332424	0	40	-2.0	-89.60	360.29	3.24	-86.36
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000332425	0	39	-2.0	-101.32	344.88	2.48	-98.84
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000332426	0	42	-2.0	-103.73	361.24	3.25	-100.48
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000332427	0	36	-2.0	-97.68	334.32	2.01	-95.67
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000332428	0	42	-2.0	-88.69	372.41	3.54	-85.15
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000332429	0	33	-2.0	-95.09	322.03	0.97	-94.12
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000332430	0	39	-2.0	-102.07	344.28	2.73	-99.34
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000332431	0	40	-2.0	-88.22	359.91	2.23	-85.99
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000332432	0	47	-2.0	-84.86	405.69	3.01	-81.85
CCCCNC(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000332433	0	37	-2.0	-99.11	335.49	1.30	-97.81
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000332434	0	40	-2.0	-102.65	353.05	0.76	-101.89
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000332435	0	36	-2.0	-91.30	337.96	1.63	-89.67
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000332436	0	42	-2.0	-103.33	359.91	3.20	-100.13
CCCCNC(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000332437	0	33	-2.0	-96.63	320.49	0.99	-95.64
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000332438	0	44	-2.0	-100.83	387.17	1.76	-99.07
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000332439	0	40	-2.0	-106.35	356.13	2.02	-104.33
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000332440	0	46	-2.0	-105.14	384.08	4.49	-100.65
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000332441	0	45	-2.0	-103.79	382.74	3.93	-99.86
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000332442	0	42	-2.0	-100.99	357.07	3.51	-97.48
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000332443	0	43	-2.0	-105.58	379.28	2.52	-103.06
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000332444	0	38	-3.0	-171.77	357.26	2.51	-169.26
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000332445	0	43	-2.0	-105.51	373.09	3.84	-101.67
CCCCNC(=O)N[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000332446	0	36	-2.0	-95.39	331.85	1.09	-94.30
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000332447	0	42	-2.0	-105.07	371.02	1.72	-103.35
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000332448	0	40	-2.0	-100.56	357.75	1.05	-99.51
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000332449	0	44	-2.0	-89.20	382.47	2.57	-86.63
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000332450	0	36	-2.0	-90.69	356.53	2.80	-87.89
CCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000332450	1	35	-3.0	-202.12	354.51	1.89	-200.23
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000332451	0	40	-2.0	-87.02	375.96	2.77	-84.25
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000332452	0	43	-2.0	-88.58	380.00	2.94	-85.64
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000332453	0	46	-2.0	-88.41	408.59	3.20	-85.21
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000332454	0	39	-2.0	-93.16	349.55	2.76	-90.40
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000332455	0	49	-2.0	-89.14	422.44	3.87	-85.27
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000332456	0	40	-2.0	-88.11	366.16	2.30	-85.81
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000332457	0	43	-2.0	-107.00	377.99	2.92	-104.08
CCCCNC(=O)N[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000332458	0	36	-2.0	-98.86	337.44	1.86	-97.00
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000332459	0	36	-2.0	-90.93	357.06	2.96	-87.97
CCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000332459	1	35	-3.0	-199.89	355.05	2.03	-197.86
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000332460	0	36	-2.0	-86.92	341.89	2.51	-84.41
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000332461	0	36	-2.0	-86.67	345.24	2.64	-84.03
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000332462	0	36	-2.0	-89.00	333.37	1.99	-87.01
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000332463	0	33	-2.0	-90.33	321.11	1.08	-89.25
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000332464	0	36	-2.0	-91.88	335.26	2.01	-89.87
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000332465	0	39	-2.0	-98.87	354.60	2.65	-96.22
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000332466	0	40	-2.0	-91.43	369.15	2.56	-88.87
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000332467	0	36	-2.0	-87.97	334.30	2.02	-85.95
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332468	0	36	-2.0	-86.90	341.34	2.35	-84.55
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000332469	0	39	-2.0	-94.65	358.28	3.14	-91.51
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000332470	0	44	-2.0	-86.87	392.59	3.36	-83.51
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000332471	0	36	-2.0	-86.30	345.07	2.45	-83.85
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000332472	0	38	-2.0	-86.45	357.04	2.62	-83.83
CCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000332472	1	37	-3.0	-196.43	355.03	1.70	-194.73
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000332473	0	37	-2.0	-101.23	338.56	-0.33	-101.56
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000332473	1	36	-3.0	-188.79	334.99	0.55	-188.24
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000332474	0	39	-2.0	-92.57	351.01	2.73	-89.84
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000332475	0	36	-2.0	-91.97	349.56	2.48	-89.49
CCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000332475	1	35	-3.0	-201.52	347.54	1.57	-199.95
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000332476	0	39	-2.0	-96.35	338.91	2.58	-93.77
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000332477	0	39	-2.0	-99.75	353.68	2.60	-97.15
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000332478	0	39	-2.0	-89.66	343.84	2.66	-87.00
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000332479	0	42	-2.0	-104.25	365.64	3.12	-101.13
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000332480	0	38	-2.0	-99.89	355.42	3.05	-96.84
CCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000332480	1	37	-3.0	-207.61	353.41	2.13	-205.48
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000332481	0	36	-2.0	-89.71	340.60	2.07	-87.64
CCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000332481	1	35	-3.0	-200.88	338.59	1.16	-199.72
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000332482	0	42	-2.0	-100.47	362.23	3.27	-97.20
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000332483	0	39	-2.0	-98.56	350.32	2.55	-96.01
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000332484	0	39	-2.0	-98.40	360.61	3.08	-95.32
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000332485	0	39	-2.0	-103.95	353.88	2.64	-101.31
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000332486	0	42	-2.0	-101.85	363.12	3.14	-98.71
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000332487	0	43	-2.0	-102.17	379.32	2.08	-100.09
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000332488	0	39	-2.0	-90.06	355.11	3.07	-86.99
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000332489	0	39	-2.0	-86.09	358.96	2.75	-83.34
CCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000332489	1	38	-3.0	-192.22	356.94	1.85	-190.37
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000332490	0	39	-2.0	-98.19	360.07	2.91	-95.28
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000332491	0	36	-2.0	-93.50	350.15	2.56	-90.94
CCCCNC(=O)N[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000332492	0	40	-2.0	-100.30	356.86	2.17	-98.13
CCCCNC(=O)N[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000332493	0	48	-2.0	-99.37	393.24	4.78	-94.59
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000332494	0	36	-2.0	-88.99	354.45	2.50	-86.49
CCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000332494	1	35	-3.0	-197.51	352.43	1.59	-195.92
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000332495	0	40	-2.0	-87.94	373.54	2.25	-85.69
CCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000332495	1	39	-3.0	-196.63	371.53	1.34	-195.29
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000332496	0	39	-2.0	-93.87	358.72	2.92	-90.95
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000332497	0	40	-2.0	-102.51	369.17	2.57	-99.94
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000332498	0	39	-2.0	-89.04	344.85	2.49	-86.55
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000332499	0	41	-2.0	-92.72	369.56	4.02	-88.70
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000332500	0	39	-2.0	-100.16	348.80	2.76	-97.40
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000332501	0	38	-2.0	-106.53	352.57	3.82	-102.71
CCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000332501	1	37	-3.0	-226.28	350.58	2.88	-223.40
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000332502	0	36	-2.0	-103.43	332.50	1.98	-101.45
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000332503	0	39	-2.0	-92.37	350.02	2.52	-89.85
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000332504	0	42	-2.0	-107.87	369.88	4.07	-103.80
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000332505	0	35	-2.0	-98.13	325.83	0.00	-98.13
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000332506	0	40	-2.0	-92.77	357.04	1.76	-91.01
CCCCNC(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000332507	0	33	-2.0	-89.33	328.98	0.92	-88.41
CCCCNC(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000332507	1	32	-3.0	-195.31	326.97	0.01	-195.30
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000332508	0	40	-2.0	-96.30	372.63	2.50	-93.80
CCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000332508	1	39	-3.0	-208.02	370.62	1.58	-206.44
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000332509	0	39	-2.0	-91.43	372.18	-1.01	-92.44
CCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000332509	1	38	-3.0	-204.71	370.17	-1.92	-206.63
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000332510	0	43	-2.0	-94.18	372.82	3.78	-90.40
CCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000332511	0	43	-2.0	-97.35	374.28	3.84	-93.51
CCCCNC(=O)N[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000332512	0	39	-2.0	-95.35	350.99	1.86	-93.49
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C	REAL300000332513	1	45	-2.0	-88.89	393.58	4.56	-84.33
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1C	REAL300000332515	0	46	-2.0	-106.59	396.73	7.07	-99.52
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1C	REAL300000332518	0	42	-2.0	-113.61	365.25	5.77	-107.84
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C	REAL300000332521	0	38	-2.0	-103.61	350.18	6.55	-97.06
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000332524	0	38	-2.0	-105.23	342.59	6.04	-99.19
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000332526	0	35	-2.0	-102.03	330.29	4.99	-97.04
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000332529	1	39	-2.0	-106.26	343.76	5.32	-100.94
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C	REAL300000332531	0	38	-2.0	-98.11	346.23	5.65	-92.46
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C	REAL300000332533	1	35	-2.0	-103.52	328.76	5.01	-98.51
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1C	REAL300000332539	0	45	-2.0	-114.07	387.54	6.54	-107.53
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000332540	0	41	-2.0	-109.04	367.98	6.54	-102.50
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C	REAL300000332542	0	38	-2.0	-101.71	340.12	5.11	-96.60
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C	REAL300000332544	0	42	-2.0	-108.98	366.10	5.07	-103.91
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C	REAL300000332546	1	38	-2.0	-100.23	354.71	6.56	-93.67
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C	REAL300000332549	1	41	-2.0	-99.40	357.82	6.79	-92.61
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C	REAL300000332552	1	38	-2.0	-105.29	345.71	5.87	-99.42
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000332553	1	38	-2.0	-92.84	350.16	6.54	-86.30
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000332555	0	35	-2.0	-96.91	329.38	5.11	-91.80
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000332556	1	38	-2.0	-98.64	343.52	6.04	-92.60
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C	REAL300000332557	0	41	-2.0	-106.59	362.87	6.68	-99.91
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000332558	0	42	-2.0	-97.50	377.43	6.60	-90.90
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000332559	0	38	-2.0	-94.65	342.57	6.05	-88.60
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C	REAL300000332562	1	46	-2.0	-91.66	400.86	7.39	-84.27
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000332563	1	38	-2.0	-96.69	347.93	6.07	-90.62
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C	REAL300000332564	1	40	-2.0	-92.67	365.30	6.65	-86.02
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C	REAL300000332565	0	39	-2.0	-107.96	346.83	3.69	-104.27
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C	REAL300000332565	1	39	-2.0	-105.57	346.01	4.51	-101.06
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300000332572	1	40	-2.0	-105.94	363.67	7.06	-98.88
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000332573	0	38	-2.0	-96.72	348.87	6.10	-90.62
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C	REAL300000332575	0	41	-2.0	-106.31	358.59	6.58	-99.73
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C	REAL300000332576	0	41	-2.0	-105.40	368.87	7.11	-98.29
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C	REAL300000332577	0	41	-2.0	-112.63	362.15	6.67	-105.96
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1C	REAL300000332582	1	42	-2.0	-107.54	365.12	6.19	-101.35
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C	REAL300000332585	1	47	-2.0	-105.14	386.57	8.11	-97.03
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1C	REAL300000332586	1	42	-2.0	-109.16	377.44	6.61	-102.55
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C	REAL300000332588	0	43	-2.0	-100.42	380.37	8.17	-92.25
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C	REAL300000332590	0	40	-2.0	-114.94	360.84	7.82	-107.12
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000332591	0	38	-2.0	-111.93	340.73	6.00	-105.93
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000332594	0	37	-2.0	-105.50	333.34	4.10	-101.40
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1C	REAL300000332595	0	42	-2.0	-99.61	365.31	5.77	-93.84
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000332596	0	35	-2.0	-95.49	337.26	4.95	-90.54
CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1C	REAL300000332599	0	41	-2.0	-101.69	359.24	5.96	-95.73
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000332600	0	43	-2.0	-108.85	363.06	5.87	-102.98
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000332601	0	43	-2.0	-98.66	358.09	5.90	-92.76
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000332602	0	43	-2.0	-110.87	358.06	5.92	-104.95
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C(C)(C)C)N=C1C	REAL300000332603	0	47	-2.0	-116.21	387.28	5.63	-110.58
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000332604	0	47	-2.0	-97.83	389.56	7.18	-90.65
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000332605	0	46	-2.0	-113.69	378.44	6.49	-107.20
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000332606	0	43	-2.0	-106.84	371.31	6.47	-100.37
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000332607	0	43	-2.0	-107.15	371.03	6.24	-100.91
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000332608	0	49	-2.0	-114.11	391.83	7.23	-106.88
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000332609	0	43	-2.0	-108.52	363.73	5.96	-102.56
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000332610	0	49	-2.0	-97.04	401.67	7.47	-89.57
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000332611	0	40	-2.0	-105.46	352.31	4.89	-100.57
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000332612	0	46	-2.0	-111.75	374.61	6.65	-105.10
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000332613	0	47	-2.0	-96.47	389.17	6.17	-90.30
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000332614	0	44	-2.0	-109.62	365.78	5.22	-104.40
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000332615	0	47	-2.0	-112.61	381.99	4.75	-107.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)N(C(C)(C)C)N=C2C)=C1	REAL300000332616	0	43	-2.0	-101.88	368.23	5.56	-96.32
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000332617	0	49	-2.0	-113.37	389.65	7.23	-106.14
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000332618	0	40	-2.0	-106.70	349.70	4.93	-101.77
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C(C)(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000332619	0	47	-2.0	-117.13	385.81	5.91	-111.22
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000332620	0	52	-2.0	-113.63	413.08	7.89	-105.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C(C)(C)C)N=C1C	REAL300000332621	0	49	-2.0	-109.81	389.36	7.60	-102.21
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C(C)(C)C)N=C1C	REAL300000332622	0	50	-2.0	-115.80	409.56	6.40	-109.40
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000332623	0	45	-3.0	-186.94	386.46	6.48	-180.46
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000332624	0	50	-2.0	-116.15	403.37	7.76	-108.39
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000332625	0	43	-2.0	-105.23	363.96	4.97	-100.26
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000332626	0	47	-2.0	-112.00	388.06	4.93	-107.07
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000332627	0	50	-2.0	-97.14	410.29	6.86	-90.28
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000332628	0	46	-2.0	-102.66	379.87	6.68	-95.98
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000332629	0	47	-2.0	-95.79	395.35	6.26	-89.53
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C(C)(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000332630	0	50	-2.0	-118.03	407.66	6.82	-111.21
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000332631	0	43	-2.0	-108.26	368.82	5.76	-102.50
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000332632	0	43	-2.0	-96.25	372.20	6.44	-89.81
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000332633	0	43	-2.0	-98.31	363.65	5.92	-92.39
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000332634	0	40	-2.0	-100.63	351.38	5.01	-95.62
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000332635	0	43	-2.0	-102.02	364.46	5.96	-96.06
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000332636	0	46	-2.0	-109.80	384.89	6.58	-103.22
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000332637	0	43	-2.0	-98.06	364.58	5.95	-92.11
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332638	0	43	-2.0	-96.40	371.63	6.28	-90.12
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000332639	0	46	-2.0	-104.35	388.61	7.07	-97.28
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000332640	0	43	-2.0	-100.47	369.94	5.97	-94.50
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000332641	0	45	-2.0	-96.07	386.24	6.56	-89.51
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000332642	0	44	-2.0	-110.60	368.84	3.55	-107.05
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000332643	0	46	-2.0	-102.13	380.27	6.66	-95.47
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000332644	0	46	-2.0	-107.85	372.62	6.62	-101.23
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000332645	0	46	-2.0	-110.40	383.97	6.53	-103.87
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000332646	0	46	-2.0	-98.82	374.58	6.64	-92.18
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000332647	0	49	-2.0	-114.13	390.83	6.96	-107.17
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000332648	0	45	-2.0	-109.57	385.58	6.92	-102.65
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000332649	0	43	-2.0	-100.08	370.88	6.00	-94.08
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000332650	0	49	-2.0	-111.33	392.04	7.30	-104.03
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000332651	0	46	-2.0	-110.92	383.02	6.61	-104.31
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(Cl)C(C)=CC(C(=O)[O-])=C1	REAL300000332652	0	46	-2.0	-108.64	390.90	7.01	-101.63
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000332653	0	46	-2.0	-115.74	384.16	6.56	-109.18
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C(C)(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000332654	0	49	-2.0	-113.20	392.93	7.04	-106.16
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C(C)(C)C)N=C2C)C=C1CC(=O)[O-]	REAL300000332655	0	50	-2.0	-113.06	408.52	6.05	-107.01
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000332656	0	46	-2.0	-100.33	384.85	7.07	-93.26
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C(C)=C1	REAL300000332657	0	46	-2.0	-109.08	390.35	6.83	-102.25
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(C(C)(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000332658	0	47	-2.0	-111.10	387.09	6.08	-105.02
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000332659	0	46	-2.0	-104.55	387.78	6.86	-97.69
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000332660	0	46	-2.0	-98.70	374.01	6.46	-92.24
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000332661	0	46	-2.0	-109.58	378.70	6.72	-102.86
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000332662	0	45	-2.0	-117.53	382.90	7.68	-109.85
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000332663	0	43	-2.0	-114.79	362.79	5.91	-108.88
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000332664	0	46	-2.0	-102.83	379.09	6.46	-96.37
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000332665	0	42	-2.0	-108.64	356.11	3.94	-104.70
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)N(C(C)(C)C)N=C1C	REAL300000332666	0	47	-2.0	-102.70	387.33	5.64	-97.06
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000332667	0	40	-2.0	-99.32	358.40	4.90	-94.42
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000332668	0	50	-2.0	-105.11	404.23	7.77	-97.34
CC1=NN(C(C)(C)C)C(C)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000332669	0	50	-2.0	-107.60	403.21	7.73	-99.87
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(C(C)(C)C)N=C2C)C=C(C(=O)[O-])O1	REAL300000332670	0	46	-2.0	-105.53	380.66	5.85	-99.68
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)=NO1	REAL300000332671	1	36	-2.0	-110.29	342.50	4.37	-105.92
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=NO1	REAL300000332672	1	36	-2.0	-100.29	337.93	4.35	-95.94
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=NO1	REAL300000332673	1	36	-2.0	-112.82	337.95	4.34	-108.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC(C)=N2)=C1	REAL300000332674	0	40	-2.0	-117.61	366.09	4.14	-113.47
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)=NO1	REAL300000332675	1	40	-2.0	-99.69	369.42	5.64	-94.05
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2)=NO1	REAL300000332676	1	39	-2.0	-114.01	353.97	4.88	-109.13
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C2)=NO1	REAL300000332677	0	36	-2.0	-107.85	351.01	4.92	-102.93
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2)=NO1	REAL300000332678	1	36	-2.0	-108.68	350.47	4.74	-103.94
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=C2)=NO1	REAL300000332679	1	42	-2.0	-115.03	370.63	5.70	-109.33
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)=NO1	REAL300000332680	0	36	-2.0	-109.51	343.42	4.41	-105.10
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2)=NO1	REAL300000332681	1	42	-2.0	-98.82	381.53	5.93	-92.89
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=NO1	REAL300000332682	0	33	-2.0	-107.06	331.13	3.36	-103.70
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2)=NO1	REAL300000332683	1	39	-2.0	-112.90	353.38	5.13	-107.77
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2)=NO1	REAL300000332684	1	40	-2.0	-98.41	369.03	4.63	-93.78
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=NO1	REAL300000332685	0	37	-2.0	-111.30	344.60	3.70	-107.60
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=C2)=NO1	REAL300000332687	0	36	-2.0	-103.18	347.07	4.03	-99.15
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=C2)=NO1	REAL300000332688	1	42	-2.0	-114.45	369.02	5.69	-108.76
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=NO1	REAL300000332689	0	33	-2.0	-108.51	329.60	3.38	-105.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C)=N3)=C2)C=C1C(=O)[O-]	REAL300000332690	1	40	-2.0	-118.71	365.24	4.40	-114.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC(C)=N2)=C1	REAL300000332691	1	42	-2.0	-111.03	368.10	6.06	-104.97
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C2)=NO1	REAL300000332692	1	43	-2.0	-117.02	382.19	6.24	-110.78
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)=NO1	REAL300000332693	0	36	-2.0	-106.05	340.95	3.49	-102.56
CC1=NC(C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC=C2)=NO1	REAL300000332694	0	40	-2.0	-114.20	366.93	3.43	-110.77
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=C2)=NO1	REAL300000332695	1	39	-2.0	-103.53	358.66	5.16	-98.37
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=C2)=NO1	REAL300000332696	0	36	-2.0	-109.37	346.55	4.23	-105.14
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2)=NO1	REAL300000332697	0	36	-2.0	-97.93	351.00	4.90	-93.03
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)=NO1	REAL300000332698	1	36	-2.0	-99.86	342.46	4.38	-95.48
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=NO1	REAL300000332699	0	33	-2.0	-101.94	330.22	3.47	-98.47
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)=NO1	REAL300000332700	1	36	-2.0	-103.68	344.35	4.41	-99.27
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=C2)=NO1	REAL300000332701	0	39	-2.0	-110.92	363.72	5.05	-105.87
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)=NO1	REAL300000332702	0	36	-2.0	-99.86	343.41	4.41	-95.45
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2)=NO1	REAL300000332703	1	36	-2.0	-97.88	350.43	4.75	-93.13
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C2)=NO1	REAL300000332704	1	36	-2.0	-101.76	348.76	4.44	-97.32
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)=NO1	REAL300000332705	0	37	-2.0	-111.46	347.65	2.07	-109.39
CC1=NC(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)=NO1	REAL300000332705	1	37	-2.0	-108.73	336.68	2.94	-105.79
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)=NO1	REAL300000332706	1	39	-2.0	-103.33	360.13	5.13	-98.20
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)=NO1	REAL300000332707	1	39	-2.0	-109.76	348.02	4.98	-104.78
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=C2)=NO1	REAL300000332708	1	39	-2.0	-111.65	362.80	4.99	-106.66
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=C2)=NO1	REAL300000332710	1	42	-2.0	-115.92	370.83	5.41	-110.51
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2)=NO1	REAL300000332711	0	36	-2.0	-101.25	349.70	4.47	-96.78
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=C2)=NO1	REAL300000332713	0	39	-2.0	-111.80	363.27	5.04	-106.76
CC1=NC(C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC=C2)=NO1	REAL300000332714	0	39	-2.0	-118.64	362.98	5.03	-113.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C)=N3)=C2)C=C1C(=O)[O-]	REAL300000332715	1	42	-2.0	-114.71	372.19	5.53	-109.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C)=N3)=C2)C=C1C(=O)[O-]	REAL300000332716	0	40	-2.0	-112.57	365.97	4.56	-108.01
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2)=NO1	REAL300000332717	1	39	-2.0	-100.45	353.95	4.89	-95.56
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=C2)=NO1	REAL300000332718	1	39	-2.0	-110.46	357.49	5.18	-105.28
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)=NO1	REAL300000332719	0	36	-2.0	-117.95	341.61	4.38	-113.57
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=C2)=NO1	REAL300000332720	1	39	-2.0	-105.54	362.88	5.02	-100.52
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=NO1	REAL300000332721	0	35	-2.0	-109.00	334.93	2.40	-106.60
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC(C)=N2)=C1	REAL300000332722	0	40	-2.0	-104.52	366.15	4.14	-100.38
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)=NO1	REAL300000332723	0	33	-2.0	-100.16	338.09	3.32	-96.84
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C2)=NO1	REAL300000332724	1	43	-2.0	-106.45	384.07	6.23	-100.22
CC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C2)=NO1	REAL300000332725	1	43	-2.0	-111.41	383.39	6.23	-105.18
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C)=N3)=C2)C=C(C(=O)[O-])O1	REAL300000332726	0	39	-2.0	-105.76	360.08	4.34	-101.42
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1	REAL300000332727	0	41	-2.0	-85.22	382.96	0.13	-85.09
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C1	REAL300000332727	1	40	-3.0	-190.06	380.95	-0.78	-190.84
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC=C1F	REAL300000332728	0	34	-2.0	-100.50	331.04	1.57	-98.93
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=CC=C1F	REAL300000332728	1	33	-3.0	-211.12	329.02	0.67	-210.45
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1=CC=CO1	REAL300000332729	0	42	-2.0	-101.79	386.12	2.65	-99.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1	REAL300000332730	0	34	-2.0	-90.57	326.49	1.55	-89.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C1	REAL300000332730	1	33	-3.0	-198.33	324.48	0.64	-197.69
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC=C1	REAL300000332731	0	34	-2.0	-102.37	326.51	1.54	-100.83
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=CC=C1	REAL300000332731	1	33	-3.0	-216.34	324.49	0.63	-215.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1=CC=CO1	REAL300000332732	0	38	-2.0	-107.55	354.65	1.35	-106.20
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)NCC1=CC=CO1	REAL300000332732	1	37	-3.0	-221.41	352.63	0.45	-220.96
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1	REAL300000332733	0	38	-2.0	-90.80	357.95	2.83	-87.97
CC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332734	0	37	-2.0	-103.24	342.55	2.07	-101.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1C	REAL300000332735	0	40	-2.0	-105.47	358.90	2.84	-102.63
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1	REAL300000332736	0	34	-2.0	-99.39	331.98	1.60	-97.79
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=C1	REAL300000332736	1	33	-3.0	-212.17	329.97	0.70	-211.47
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1	REAL300000332737	0	40	-2.0	-90.03	370.07	3.13	-86.90
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1	REAL300000332738	0	31	-2.0	-96.82	319.69	0.56	-96.26
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=C1	REAL300000332738	1	30	-3.0	-207.39	317.68	-0.34	-207.73
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1=CC=CO1	REAL300000332739	0	37	-2.0	-103.73	341.94	2.32	-101.41
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1	REAL300000332740	0	38	-2.0	-89.40	357.57	1.82	-87.58
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C1	REAL300000332740	1	37	-3.0	-195.65	355.56	0.92	-194.73
CN1C=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332741	0	35	-2.0	-100.87	333.16	0.89	-99.98
CN1C=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332741	1	34	-3.0	-213.72	331.14	-0.01	-213.73
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1=CC=CO1	REAL300000332742	0	38	-2.0	-104.25	350.71	0.35	-103.90
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)NCC1=CC=CO1	REAL300000332742	1	37	-3.0	-213.96	348.70	-0.57	-214.53
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1	REAL300000332743	0	34	-2.0	-92.68	335.62	1.22	-91.46
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=C1	REAL300000332743	1	33	-3.0	-202.54	333.61	0.32	-202.22
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332744	0	40	-2.0	-104.88	357.57	2.81	-102.07
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CS1	REAL300000332745	0	31	-2.0	-97.92	318.15	0.57	-97.35
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=CS1	REAL300000332745	1	30	-3.0	-209.85	316.14	-0.34	-210.19
COC1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC(C(=O)[O-])=C1OC	REAL300000332746	0	42	-2.0	-102.19	384.81	1.35	-100.84
COC1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=CC(C(=O)[O-])=C1OC	REAL300000332746	1	41	-3.0	-216.73	382.81	0.45	-216.28
COC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332747	0	38	-2.0	-107.60	353.79	1.61	-105.99
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332747	1	37	-3.0	-222.91	351.78	0.70	-222.21
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1	REAL300000332748	0	44	-2.0	-106.90	381.76	4.07	-102.83
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1=CC=CO1	REAL300000332749	0	43	-2.0	-105.44	380.40	3.52	-101.92
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1=CC=CO1	REAL300000332750	0	40	-2.0	-102.50	354.73	3.10	-99.40
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1=CC=CO1	REAL300000332751	0	41	-2.0	-107.35	376.94	2.11	-105.24
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)NCC1=CC=CO1	REAL300000332751	1	40	-3.0	-227.07	374.92	1.21	-225.86
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC(C(=O)[O-])=C1	REAL300000332752	0	36	-3.0	-173.33	354.91	2.10	-171.23
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=CC(C(=O)[O-])=C1	REAL300000332752	1	35	-4.0	-306.76	352.91	1.20	-305.56
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1	REAL300000332753	0	41	-2.0	-107.22	370.75	3.43	-103.79
CC1=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C(C(=O)[O-])O1	REAL300000332754	0	34	-2.0	-96.98	329.51	0.68	-96.30
CC1=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C(C(=O)[O-])O1	REAL300000332754	1	33	-3.0	-203.11	327.50	-0.22	-203.33
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC2=C1OCCO2	REAL300000332755	0	40	-2.0	-106.93	368.68	1.31	-105.62
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=CC2=C1OCCO2	REAL300000332755	1	39	-3.0	-222.18	366.66	0.41	-221.77
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1	REAL300000332756	0	38	-2.0	-101.99	355.41	0.64	-101.35
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=C1	REAL300000332756	1	37	-3.0	-222.52	353.40	-0.26	-222.78
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)NCC3=CC=CO3)C=C2C1	REAL300000332757	0	42	-2.0	-90.32	380.14	2.16	-88.16
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC3=CC=CO3)C=C2C1	REAL300000332757	1	41	-3.0	-199.62	378.13	1.26	-198.36
CC1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC=C1OCC(=O)[O-]	REAL300000332758	0	41	-2.0	-89.82	377.66	2.53	-87.29
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1=CC=CO1	REAL300000332759	0	37	-2.0	-94.73	347.21	2.35	-92.38
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)NCC1=CC=CO1	REAL300000332759	1	36	-3.0	-202.43	345.20	1.43	-201.00
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1F	REAL300000332760	0	38	-2.0	-89.40	363.80	1.89	-87.51
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C1F	REAL300000332760	1	37	-3.0	-193.08	361.78	0.98	-192.10
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332761	0	41	-2.0	-108.22	375.64	2.51	-105.71
CCOC1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332761	1	40	-3.0	-223.78	373.63	1.61	-222.17
CC1=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C(C(=O)[O-])S1	REAL300000332762	0	34	-2.0	-100.42	335.11	1.44	-98.98
CC1=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C(C(=O)[O-])S1	REAL300000332762	1	33	-3.0	-208.24	333.09	0.53	-207.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C(Cl)=C1	REAL300000332763	0	34	-2.0	-88.38	339.55	2.10	-86.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C(Cl)=C1	REAL300000332763	1	33	-3.0	-195.27	337.54	1.17	-194.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1F	REAL300000332764	0	34	-2.0	-90.48	331.03	1.58	-88.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C1F	REAL300000332764	1	33	-3.0	-196.13	329.01	0.68	-195.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)S1	REAL300000332765	0	31	-2.0	-91.70	318.77	0.67	-91.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)S1	REAL300000332765	1	30	-3.0	-200.41	316.76	-0.23	-200.64
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC(F)=C1	REAL300000332766	0	34	-2.0	-93.72	332.91	1.61	-92.11
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=CC(F)=C1	REAL300000332766	1	33	-3.0	-204.84	330.90	0.70	-204.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1F	REAL300000332767	0	37	-2.0	-100.59	352.27	2.24	-98.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=C1F	REAL300000332767	1	36	-3.0	-214.47	350.25	1.34	-213.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C(F)=C1	REAL300000332768	0	34	-2.0	-89.47	331.97	1.61	-87.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C(F)=C1	REAL300000332768	1	33	-3.0	-199.11	329.95	0.71	-198.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1Cl	REAL300000332769	0	34	-2.0	-88.25	339.00	1.94	-86.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C1Cl	REAL300000332769	1	33	-3.0	-195.32	336.99	1.04	-194.28
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1=CC=CO1	REAL300000332770	0	37	-2.0	-96.35	355.94	2.74	-93.61
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)NCC1=CC=CO1	REAL300000332770	1	36	-3.0	-204.72	353.93	1.81	-202.91
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1	REAL300000332771	0	42	-2.0	-88.03	390.25	2.95	-85.08
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C1	REAL300000332771	1	41	-3.0	-192.49	388.23	2.05	-190.44
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1	REAL300000332772	0	36	-2.0	-87.80	354.71	2.21	-85.59
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=C1	REAL300000332772	1	35	-3.0	-197.94	352.68	1.31	-196.63
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1	REAL300000332773	0	35	-2.0	-102.67	336.22	-0.74	-103.41
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1	REAL300000332773	1	34	-3.0	-190.52	332.66	0.14	-190.38
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=C1	REAL300000332773	1	34	-3.0	-210.85	334.21	-1.64	-212.49
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1	REAL300000332774	0	37	-2.0	-93.99	348.67	2.32	-91.67
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC(Cl)=C1F	REAL300000332775	0	34	-2.0	-93.26	347.22	2.07	-91.19
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=CC(Cl)=C1F	REAL300000332775	1	33	-3.0	-203.15	345.20	1.17	-201.98
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)NCC1=CC=CO1	REAL300000332776	0	37	-2.0	-97.67	336.57	2.17	-95.50
CC1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC(C(=O)[O-])=C1F	REAL300000332777	0	37	-2.0	-101.10	351.34	2.19	-98.91
CC1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=CC(C(=O)[O-])=C1F	REAL300000332777	1	36	-3.0	-213.34	349.33	1.29	-212.05
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)NCC1=CC=CO1	REAL300000332778	0	37	-2.0	-91.01	341.91	2.31	-88.70
CC1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC(C(=O)[O-])=C1C	REAL300000332779	0	40	-2.0	-105.67	363.30	2.71	-102.96
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC=C1[N+](=O)[O-]	REAL300000332780	0	36	-2.0	-101.64	353.08	2.64	-99.00
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=CC=C1[N+](=O)[O-]	REAL300000332780	1	35	-3.0	-250.44	351.07	1.73	-248.71
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1	REAL300000332781	0	34	-2.0	-91.36	338.26	1.66	-89.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=C1	REAL300000332781	1	33	-3.0	-202.26	336.25	0.76	-201.50
CC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C(C)=C1C(=O)[O-]	REAL300000332782	0	40	-2.0	-101.68	360.98	2.92	-98.76
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332783	0	37	-2.0	-100.28	347.98	2.14	-98.14
CC1=CC(F)=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332783	1	36	-3.0	-214.48	345.97	1.24	-213.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1Cl	REAL300000332784	0	37	-2.0	-100.11	358.26	2.67	-97.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=C1Cl	REAL300000332784	1	36	-3.0	-211.16	356.25	1.75	-209.41
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1	REAL300000332785	0	37	-2.0	-105.40	351.54	2.23	-103.17
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=C1	REAL300000332785	1	36	-3.0	-226.27	349.53	1.33	-224.94
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332786	0	40	-2.0	-103.81	360.44	2.72	-101.09
COC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1CC(=O)[O-]	REAL300000332787	0	41	-2.0	-103.99	376.98	1.67	-102.32
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C1CC(=O)[O-]	REAL300000332787	1	40	-3.0	-223.17	374.97	0.77	-222.40
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)NCC1=CC=CO1	REAL300000332788	0	37	-2.0	-91.49	352.77	2.65	-88.84
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-][N-]C(=O)NCC1=CC=CO1	REAL300000332788	1	36	-3.0	-205.91	350.76	1.73	-204.18
CC1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC(C(=O)[O-])=C1Cl	REAL300000332789	0	37	-2.0	-100.12	357.75	2.50	-97.62
CC1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=CC(C(=O)[O-])=C1Cl	REAL300000332789	1	36	-3.0	-213.58	355.71	1.59	-211.99
CCN1C=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332790	0	38	-2.0	-102.03	354.52	1.75	-100.28
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C(C)=C1CC(=O)[O-]	REAL300000332791	0	46	-2.0	-100.59	390.91	4.37	-96.22
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332792	0	37	-2.0	-96.40	360.24	2.61	-93.79
CC1=C(Cl)C=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332792	1	36	-3.0	-211.16	358.24	1.70	-209.46
CC1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC=C1C(=O)[O-]	REAL300000332793	0	37	-2.0	-90.47	342.51	2.08	-88.39
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C([N+](=O)[O-])=C1	REAL300000332794	0	39	-2.0	-94.89	369.78	3.61	-91.28
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C([N+](=O)[O-])=C1	REAL300000332794	1	38	-3.0	-205.55	367.77	2.69	-202.86
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1=CC=CO1	REAL300000332795	0	37	-2.0	-101.74	346.46	2.36	-99.38
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)NCC1=CC=CO1	REAL300000332795	1	36	-3.0	-208.41	344.45	1.43	-206.98
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC=C1	REAL300000332796	0	36	-2.0	-107.80	350.26	3.41	-104.39
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=CC=C1	REAL300000332796	1	35	-3.0	-227.95	348.24	2.48	-225.47
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC=C1	REAL300000332797	0	34	-2.0	-104.74	330.12	1.56	-103.18
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=CC=C1	REAL300000332797	1	33	-3.0	-224.71	328.15	0.67	-224.04
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332798	0	37	-2.0	-94.69	351.44	2.22	-92.47
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300000332798	1	36	-3.0	-208.45	349.43	1.31	-207.14
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=CC2=CC=CC=C21	REAL300000332799	0	40	-2.0	-109.15	367.55	3.67	-105.48
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C1	REAL300000332800	0	33	-2.0	-99.43	322.72	-0.33	-99.76
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=C1	REAL300000332800	1	32	-3.0	-214.26	320.71	-1.24	-215.50
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)NCC1=CC=CO1	REAL300000332801	0	38	-2.0	-94.18	354.71	1.35	-92.83
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)NCC1=CC=CO1	REAL300000332801	1	37	-3.0	-204.70	352.69	0.45	-204.25
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)=C(Cl)O1	REAL300000332802	0	30	-3.0	-196.79	324.64	-0.39	-197.18
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)=C(Cl)O1	REAL300000332802	1	31	-2.0	-90.97	326.65	0.52	-90.45
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)NCC3=CC=CO3)C=C2)CC1	REAL300000332803	0	41	-2.0	-97.16	372.63	3.43	-93.73
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)NCC3=CC=CO3)C=C2C1	REAL300000332804	0	41	-2.0	-98.68	371.96	3.43	-95.25
CCC1=C(S(=O)(=O)[N-]NC(=O)NCC2=CC=CO2)C=C(C(=O)[O-])O1	REAL300000332805	0	37	-2.0	-96.92	348.63	1.47	-95.45
CCC1=C(S(=O)(=O)[N-][N-]C(=O)NCC2=CC=CO2)C=C(C(=O)[O-])O1	REAL300000332805	1	36	-3.0	-203.04	346.62	0.56	-202.48
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332806	1	37	-2.0	-108.79	348.11	6.83	-101.96
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332807	1	34	-2.0	-109.74	332.69	6.06	-103.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1Cl	REAL300000332810	0	28	-2.0	-113.66	286.42	5.69	-107.97
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1Cl	REAL300000332811	0	31	-2.0	-100.75	314.07	5.09	-95.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1Cl	REAL300000332812	0	27	-2.0	-97.17	289.76	4.05	-93.12
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332813	1	29	-2.0	-103.65	298.75	5.80	-97.85
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332814	1	29	-2.0	-99.42	298.73	5.80	-93.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1Cl	REAL300000332815	0	28	-2.0	-101.68	300.13	5.99	-95.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C=C1Cl	REAL300000332816	0	28	-2.0	-106.12	294.39	6.11	-100.01
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000332819	0	31	-2.0	-118.79	313.60	5.97	-112.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1Cl	REAL300000332821	1	37	-2.0	-104.92	340.73	5.36	-99.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1[N+](=O)[O-]	REAL300000332822	1	33	-2.0	-104.21	324.79	6.71	-97.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C=C1Cl	REAL300000332823	0	25	-2.0	-99.18	291.52	5.14	-94.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1Cl	REAL300000332826	1	31	-2.0	-97.70	316.63	6.41	-91.29
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332828	0	31	-2.0	-103.30	309.06	5.94	-97.36
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332829	0	36	-2.0	-113.46	335.63	4.49	-108.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1OC	REAL300000332830	1	36	-2.0	-104.92	336.63	4.61	-100.31
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332832	0	30	-2.0	-96.61	291.09	4.37	-92.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1Cl	REAL300000332833	1	28	-2.0	-97.80	309.84	6.39	-91.41
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332834	0	31	-2.0	-97.18	312.96	5.83	-91.35
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332834	1	30	-3.0	-172.27	306.37	5.96	-166.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1Cl	REAL300000332835	1	28	-2.0	-97.10	290.62	5.53	-91.57
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C1Cl	REAL300000332836	0	28	-2.0	-102.11	307.76	6.49	-95.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1Cl	REAL300000332837	1	31	-2.0	-102.85	316.64	6.41	-96.44
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332838	1	31	-2.0	-107.20	299.31	6.07	-101.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C1Cl	REAL300000332840	0	31	-2.0	-108.58	303.79	6.79	-101.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1Cl	REAL300000332841	1	28	-2.0	-103.20	294.64	5.93	-97.27
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332842	1	33	-2.0	-104.30	320.64	5.89	-98.41
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332843	1	34	-2.0	-106.23	314.79	6.85	-99.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1Cl	REAL300000332845	1	28	-2.0	-97.30	300.51	5.98	-91.32
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332846	1	33	-2.0	-116.15	319.17	5.81	-110.34
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332848	0	34	-2.0	-118.19	323.09	6.81	-111.38
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332849	1	37	-2.0	-100.21	354.52	7.00	-93.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C1Cl	REAL300000332850	0	28	-2.0	-103.79	306.21	6.43	-97.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1[N+](=O)[O-]	REAL300000332851	1	34	-2.0	-104.15	333.42	6.15	-98.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332855	0	34	-3.0	-176.88	334.50	5.76	-171.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332855	1	35	-2.0	-115.26	337.30	5.70	-109.56
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332856	0	35	-2.0	-101.62	340.53	7.23	-94.39
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332856	1	34	-3.0	-157.40	337.81	7.26	-150.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C1Cl	REAL300000332857	0	28	-2.0	-107.82	301.52	6.73	-101.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1Cl	REAL300000332858	0	25	-2.0	-99.08	286.89	5.03	-94.05
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332860	0	32	-2.0	-112.03	306.13	5.20	-106.83
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000332861	0	34	-2.0	-97.77	325.03	6.47	-91.30
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332862	0	39	-2.0	-112.26	362.52	4.08	-108.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1Cl	REAL300000332863	0	28	-2.0	-99.84	295.96	5.59	-94.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1Cl	REAL300000332864	1	28	-2.0	-98.14	311.37	6.44	-91.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1Cl	REAL300000332865	0	28	-2.0	-106.66	291.04	5.97	-100.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C=C1Cl	REAL300000332866	1	28	-2.0	-103.13	299.20	6.03	-97.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1Cl	REAL300000332867	1	30	-2.0	-103.82	306.12	6.08	-97.74
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332868	1	33	-2.0	-102.72	321.60	6.85	-95.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C=C1Cl	REAL300000332869	1	30	-2.0	-98.09	318.58	6.46	-91.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1Cl	REAL300000332870	0	25	-2.0	-103.46	269.82	4.41	-99.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1Cl	REAL300000332872	0	30	-2.0	-117.59	296.44	6.80	-110.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1Cl	REAL300000332875	0	28	-2.0	-101.19	289.80	5.54	-95.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1Cl	REAL300000332876	1	28	-2.0	-103.44	284.31	5.47	-97.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1Cl	REAL300000332877	1	28	-2.0	-97.50	290.73	5.54	-91.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1Cl	REAL300000332879	1	34	-2.0	-106.62	322.39	4.56	-102.06
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332881	1	43	-2.0	-107.28	369.59	8.51	-98.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1Cl	REAL300000332882	1	28	-2.0	-99.09	294.62	5.92	-93.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C=C1Cl	REAL300000332883	1	28	-2.0	-98.94	299.18	6.03	-92.91
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1Cl	REAL300000332884	0	30	-2.0	-94.45	306.11	6.08	-88.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1Cl	REAL300000332885	1	28	-2.0	-106.73	277.90	5.41	-101.32
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332886	1	35	-2.0	-110.82	334.25	4.28	-106.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000332887	0	28	-2.0	-105.51	291.72	5.20	-100.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000332888	0	37	-2.0	-115.93	341.32	7.25	-108.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000332888	1	36	-3.0	-173.82	338.75	7.28	-166.54
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332889	0	32	-2.0	-105.32	322.89	5.72	-99.60
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332890	0	30	-3.0	-168.10	311.83	6.03	-162.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=C1Cl	REAL300000332891	0	25	-2.0	-97.36	300.74	5.56	-91.80
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332893	1	33	-2.0	-100.95	316.17	6.68	-94.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1Cl	REAL300000332894	0	28	-2.0	-104.44	289.80	5.54	-98.90
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332895	0	37	-2.0	-98.95	356.64	7.41	-91.54
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332895	1	36	-3.0	-156.90	349.92	7.55	-149.35
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332896	1	38	-2.0	-110.53	354.54	5.11	-105.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1Cl	REAL300000332897	1	32	-2.0	-102.69	313.65	2.22	-100.47
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332898	1	32	-2.0	-103.14	318.09	6.43	-96.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1Cl	REAL300000332899	1	33	-2.0	-103.57	319.94	3.86	-99.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=C1Cl	REAL300000332900	1	36	-2.0	-104.57	337.73	4.59	-99.98
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1OCC	REAL300000332901	1	42	-2.0	-104.96	380.34	6.45	-98.51
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332903	0	27	-3.0	-164.13	299.54	4.99	-159.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1Cl	REAL300000332904	1	31	-2.0	-102.22	309.66	2.91	-99.31
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332905	0	34	-2.0	-117.46	321.39	6.29	-111.17
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332905	1	33	-3.0	-172.00	321.79	6.76	-165.24
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332906	0	34	-2.0	-103.72	315.51	4.49	-99.23
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000332907	1	36	-2.0	-102.27	338.61	7.39	-94.88
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332908	1	34	-2.0	-100.56	332.66	6.07	-94.49
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332909	1	35	-2.0	-104.75	334.32	3.68	-101.07
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332910	1	33	-2.0	-105.55	332.07	0.37	-105.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)C=C1Cl	REAL300000332911	1	39	-2.0	-111.79	355.69	6.53	-105.26
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332912	0	37	-2.0	-114.44	350.07	7.08	-107.36
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332913	1	32	-2.0	-104.72	312.39	2.19	-102.53
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000332914	1	39	-2.0	-114.18	356.81	6.44	-107.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1Cl	REAL300000332916	1	34	-2.0	-108.99	323.85	7.70	-101.29
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CS1	REAL300000332917	0	31	-2.0	-114.50	317.48	5.71	-108.79
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332918	1	38	-2.0	-104.14	354.46	5.92	-98.22
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332920	0	35	-2.0	-101.74	340.15	6.22	-95.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C=C1Cl	REAL300000332922	1	39	-2.0	-107.64	362.12	9.53	-98.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1Cl	REAL300000332925	0	28	-2.0	-109.35	283.37	5.47	-103.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C1Cl	REAL300000332926	1	33	-2.0	-101.59	320.28	5.91	-95.68
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332927	0	34	-2.0	-118.97	330.76	4.00	-114.97
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2N=C1	REAL300000332928	0	36	-2.0	-121.86	339.23	6.69	-115.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(Cl)=C1	REAL300000332930	0	31	-2.0	-106.36	312.44	6.64	-99.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C=C1Cl	REAL300000332931	0	32	-2.0	-107.57	322.63	5.68	-101.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C=C1Cl	REAL300000332932	1	34	-2.0	-103.46	328.65	2.63	-100.83
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332933	1	33	-2.0	-110.36	332.11	0.37	-109.99
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000332934	1	36	-2.0	-103.70	341.20	5.86	-97.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C([N+](=O)[O-])=C1	REAL300000332935	0	34	-2.0	-112.34	328.45	6.11	-106.23
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2C1=O	REAL300000332936	1	35	-2.0	-100.77	343.53	4.66	-96.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C=C1Cl	REAL300000332937	1	33	-2.0	-99.69	325.58	6.90	-92.79
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000332938	1	34	-2.0	-103.56	332.02	5.36	-98.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C=C1Cl	REAL300000332939	1	32	-2.0	-101.07	323.90	5.20	-95.87
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332940	1	34	-2.0	-109.55	338.59	2.93	-106.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C1Cl	REAL300000332942	1	38	-2.0	-108.49	347.74	9.29	-99.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1Cl	REAL300000332943	0	28	-2.0	-99.02	297.42	6.04	-92.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C=C1Cl	REAL300000332944	0	40	-2.0	-111.83	363.82	4.75	-107.08
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(F)=C1	REAL300000332945	0	35	-2.0	-115.53	339.73	4.36	-111.17
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332946	1	34	-2.0	-113.59	338.62	2.93	-110.66
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1OC	REAL300000332948	0	36	-2.0	-105.39	342.08	4.68	-100.71
CN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000332950	0	32	-2.0	-113.55	319.68	5.16	-108.39
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000332950	1	31	-3.0	-169.87	313.02	5.32	-164.55
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1Cl	REAL300000332951	0	28	-2.0	-111.43	295.36	4.98	-106.45
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(N)=O	REAL300000332952	0	33	-2.0	-104.52	319.85	1.57	-102.95
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332953	0	35	-2.0	-117.92	330.12	4.36	-113.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000332955	1	32	-2.0	-102.90	323.42	5.26	-97.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000332956	1	32	-2.0	-102.78	313.62	4.78	-98.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(N)=O	REAL300000332959	1	35	-2.0	-101.55	328.49	2.86	-98.69
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(N)=O	REAL300000332960	1	36	-2.0	-103.37	339.72	2.79	-100.58
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000332961	0	28	-2.0	-103.39	282.45	3.12	-100.27
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332962	1	33	-2.0	-94.43	321.60	6.85	-87.58
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN1C	REAL300000332963	0	36	-2.0	-104.97	341.79	3.06	-101.91
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332964	1	31	-2.0	-102.32	310.11	6.70	-95.62
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=N2)C=C1	REAL300000332966	0	38	-2.0	-104.13	359.87	7.20	-96.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C=C1Cl	REAL300000332968	1	39	-2.0	-105.59	353.42	5.55	-100.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332970	0	30	-3.0	-159.71	315.48	5.65	-154.06
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000332971	1	29	-2.0	-96.56	314.12	6.21	-90.35
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1Cl	REAL300000332972	1	29	-2.0	-97.29	314.15	6.21	-91.08
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000332973	0	37	-2.0	-114.46	339.72	7.28	-107.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1Cl	REAL300000332974	1	32	-2.0	-111.14	316.26	5.78	-105.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=CC=CN=C12	REAL300000332975	1	37	-2.0	-107.44	343.20	5.20	-102.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000332976	1	31	-2.0	-103.78	313.37	6.52	-97.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1Cl	REAL300000332977	0	28	-2.0	-106.25	299.57	5.97	-100.28
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332979	0	34	-2.0	-99.99	334.36	5.87	-94.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=CC=CC=C12	REAL300000332980	1	38	-2.0	-111.82	347.28	7.08	-104.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000332981	1	31	-2.0	-103.59	304.63	6.12	-97.47
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332982	1	31	-2.0	-99.36	310.11	6.69	-92.67
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332983	0	31	-2.0	-109.50	304.81	6.13	-103.37
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332984	1	31	-2.0	-102.47	299.78	6.25	-96.22
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332985	0	33	-2.0	-119.29	311.50	7.66	-111.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)C=C1Cl	REAL300000332986	0	36	-2.0	-107.25	343.21	4.66	-102.59
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000332987	1	38	-2.0	-115.99	349.71	5.26	-110.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CS1	REAL300000332991	0	27	-3.0	-166.15	298.01	5.01	-161.14
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=CS1	REAL300000332991	1	28	-2.0	-97.03	304.67	4.86	-92.17
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1Cl	REAL300000332992	0	31	-2.0	-108.38	320.27	7.30	-101.08
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000332993	0	35	-2.0	-101.77	340.33	5.90	-95.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CS2)C=C1Cl	REAL300000332994	0	25	-2.0	-103.32	290.20	4.97	-98.35
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000332996	1	41	-2.0	-113.25	381.29	5.20	-108.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1Cl	REAL300000332997	0	30	-2.0	-110.15	305.37	6.90	-103.25
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332998	0	40	-2.0	-113.26	360.68	7.54	-105.72
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000332998	1	39	-3.0	-175.03	360.26	7.98	-167.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=C1Cl	REAL300000332999	1	38	-2.0	-105.55	352.07	8.82	-96.73
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333000	0	37	-2.0	-114.33	358.84	3.88	-110.45
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333001	1	39	-2.0	-115.60	368.65	5.07	-110.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)C=C1Cl	REAL300000333004	1	39	-2.0	-116.25	365.98	5.38	-110.87
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333005	0	32	-2.0	-108.07	309.08	3.77	-104.30
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333005	1	32	-2.0	-93.74	308.21	4.61	-89.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1Cl	REAL300000333006	0	25	-2.0	-100.96	259.49	1.82	-99.14
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333007	0	37	-2.0	-116.82	338.72	7.16	-109.66
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333007	1	36	-3.0	-171.10	336.51	7.70	-163.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C1Cl	REAL300000333008	0	31	-2.0	-108.20	317.42	6.32	-101.88
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333009	0	37	-3.0	-178.94	356.79	6.53	-172.41
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333009	1	38	-2.0	-119.84	359.60	6.47	-113.37
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000333010	0	33	-3.0	-176.64	341.46	6.39	-170.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000333010	1	32	-4.0	-252.59	334.77	6.53	-246.06
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333011	0	31	-2.0	-99.69	325.79	5.17	-94.52
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333012	0	38	-2.0	-119.46	353.24	7.83	-111.63
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333012	1	37	-3.0	-176.25	350.62	7.87	-168.38
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C	REAL300000333013	0	36	-2.0	-116.08	337.40	8.03	-108.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1Cl	REAL300000333014	1	32	-2.0	-98.28	315.70	5.79	-92.49
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1Cl	REAL300000333015	0	28	-2.0	-102.44	292.80	5.76	-96.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000333016	0	30	-3.0	-164.34	309.38	5.12	-159.22
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000333016	1	31	-2.0	-112.75	312.38	5.06	-107.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1Cl	REAL300000333017	0	31	-2.0	-126.16	306.10	4.61	-121.55
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333018	0	34	-2.0	-109.97	338.16	6.11	-103.86
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333019	0	38	-2.0	-113.65	349.42	6.78	-106.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C=C1Cl	REAL300000333020	1	31	-2.0	-96.85	322.22	6.47	-90.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=C1Cl	REAL300000333022	0	30	-2.0	-117.69	311.59	7.56	-110.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1Cl	REAL300000333023	1	33	-2.0	-116.74	326.18	5.59	-111.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C=C1Cl	REAL300000333024	0	27	-2.0	-97.63	294.25	4.21	-93.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1Cl	REAL300000333026	0	30	-2.0	-121.25	303.92	7.04	-114.21
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333027	0	34	-3.0	-173.01	335.34	5.06	-167.95
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333027	1	35	-2.0	-102.34	338.16	5.02	-97.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1Cl	REAL300000333028	0	35	-2.0	-104.52	338.47	6.54	-97.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C=C1Cl	REAL300000333029	0	38	-2.0	-104.25	363.88	6.97	-97.28
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1Cl	REAL300000333030	0	27	-2.0	-97.54	279.33	3.68	-93.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(F)(F)F	REAL300000333031	1	34	-2.0	-103.22	332.33	6.93	-96.29
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000333032	1	38	-2.0	-103.96	358.15	6.32	-97.64
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333033	0	31	-2.0	-103.83	325.94	5.07	-98.76
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333034	1	36	-2.0	-101.97	336.35	7.79	-94.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1Cl	REAL300000333035	1	33	-2.0	-106.57	314.05	5.84	-100.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C1Cl	REAL300000333036	0	27	-2.0	-98.51	303.05	4.54	-93.97
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1OCC(=O)[O-]	REAL300000333037	0	38	-2.0	-100.76	364.21	6.81	-93.95
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333038	0	28	-2.0	-113.09	282.07	4.50	-108.59
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C12	REAL300000333040	1	36	-2.0	-100.88	344.22	5.14	-95.74
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C12	REAL300000333041	0	32	-2.0	-97.05	317.66	2.39	-94.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1Cl	REAL300000333043	0	28	-2.0	-107.08	289.68	5.53	-101.55
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(F)=C1	REAL300000333044	0	32	-2.0	-107.78	315.87	4.99	-102.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1Cl	REAL300000333045	0	30	-2.0	-110.12	315.71	7.35	-102.77
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333046	0	34	-2.0	-110.61	326.52	6.34	-104.27
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333046	1	33	-3.0	-161.95	327.08	6.79	-155.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1Cl	REAL300000333047	0	34	-2.0	-110.68	321.02	5.06	-105.62
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN1C	REAL300000333048	0	31	-2.0	-114.84	301.43	4.31	-110.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1Cl	REAL300000333049	0	32	-2.0	-107.66	315.89	5.47	-102.19
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333050	1	37	-2.0	-109.37	354.57	6.99	-102.38
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000333051	0	31	-2.0	-103.53	303.99	3.97	-99.56
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333052	1	40	-2.0	-99.77	376.02	7.79	-91.98
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333053	1	35	-2.0	-108.31	332.97	5.13	-103.18
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333054	0	34	-2.0	-112.85	329.52	6.88	-105.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C=C1Cl	REAL300000333055	0	31	-2.0	-103.73	322.14	6.47	-97.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C=C1Cl	REAL300000333056	0	31	-2.0	-100.61	310.16	6.86	-93.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C=C1Cl	REAL300000333057	0	28	-2.0	-105.00	309.99	5.51	-99.49
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000333058	0	38	-2.0	-102.13	362.19	6.81	-95.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1Cl	REAL300000333059	1	33	-2.0	-104.81	313.88	4.71	-100.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1Cl	REAL300000333060	0	28	-2.0	-102.15	297.43	6.04	-96.11
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)=CO1	REAL300000333061	1	37	-2.0	-108.95	354.29	4.47	-104.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=C1Cl	REAL300000333063	1	32	-2.0	-100.32	322.20	2.27	-98.05
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333064	0	28	-2.0	-100.64	278.31	2.46	-98.18
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333065	1	32	-2.0	-108.28	307.41	4.71	-103.57
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333066	1	31	-2.0	-105.50	293.39	6.19	-99.31
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333067	0	34	-2.0	-108.35	339.22	3.65	-104.70
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333067	1	33	-3.0	-163.85	336.21	2.52	-161.33
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000333068	0	28	-2.0	-110.17	282.74	2.95	-107.22
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333069	0	28	-2.0	-97.15	278.13	3.05	-94.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(F)=C1	REAL300000333072	0	31	-2.0	-108.87	304.81	6.14	-102.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1Cl	REAL300000333074	0	25	-2.0	-111.41	259.36	2.79	-108.62
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300000333075	0	31	-2.0	-98.91	317.44	4.20	-94.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1Cl	REAL300000333076	0	33	-2.0	-121.99	317.82	6.05	-115.94
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000333077	0	31	-2.0	-112.51	317.91	5.85	-106.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000333077	1	30	-3.0	-167.64	314.96	5.87	-161.77
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000333078	1	37	-2.0	-107.30	342.22	6.73	-100.57
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333079	0	32	-2.0	-107.24	320.50	5.27	-101.97
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN=C1Cl	REAL300000333080	0	30	-2.0	-97.88	308.56	4.63	-93.25
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333081	0	34	-2.0	-113.58	336.98	2.95	-110.63
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333083	1	37	-2.0	-110.46	354.85	6.85	-103.61
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C21	REAL300000333085	1	39	-2.0	-126.96	356.73	6.43	-120.53
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333086	0	40	-2.0	-104.31	357.07	6.02	-98.29
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)SC=C1	REAL300000333087	0	28	-2.0	-105.91	288.66	5.03	-100.88
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000333088	0	37	-2.0	-103.81	337.32	5.36	-98.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C	REAL300000333089	1	37	-2.0	-101.83	348.70	6.60	-95.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1[N+](=O)[O-]	REAL300000333090	0	33	-2.0	-95.88	322.12	6.59	-89.29
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C1Cl	REAL300000333091	1	36	-2.0	-118.12	337.49	3.86	-114.26
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333092	1	32	-2.0	-102.60	314.16	6.58	-96.02
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300000333093	1	35	-2.0	-113.25	339.10	4.42	-108.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1[N+](=O)[O-]	REAL300000333094	0	33	-2.0	-103.92	327.58	6.66	-97.26
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333095	1	40	-2.0	-105.06	330.04	8.09	-96.97
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C	REAL300000333096	1	38	-2.0	-123.24	352.82	5.20	-118.04
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333097	0	32	-2.0	-107.95	315.55	5.87	-102.08
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333098	1	32	-2.0	-98.66	314.14	6.57	-92.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C=C1Cl	REAL300000333100	1	37	-2.0	-111.81	346.56	5.48	-106.33
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1OC	REAL300000333101	1	38	-2.0	-104.81	359.99	6.11	-98.70
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(F)=C1	REAL300000333102	0	29	-2.0	-100.92	304.19	5.86	-95.06
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2O1	REAL300000333103	1	33	-2.0	-104.08	321.55	3.08	-101.00
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000333104	0	34	-2.0	-103.46	322.67	4.50	-98.96
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333105	0	33	-2.0	-108.35	315.72	1.89	-106.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1Cl	REAL300000333106	1	33	-2.0	-106.81	318.88	5.79	-101.02
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000333107	0	34	-2.0	-109.25	337.26	4.17	-105.08
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN1	REAL300000333108	0	34	-2.0	-110.86	321.70	3.86	-107.00
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C([N+](=O)[O-])=C1	REAL300000333109	0	31	-2.0	-107.32	319.74	7.21	-100.11
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=NN1C1=CC=CC=N1	REAL300000333111	0	37	-2.0	-107.39	350.09	6.79	-100.60
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1Cl	REAL300000333113	1	28	-2.0	-91.18	296.89	5.59	-85.59
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333114	1	39	-2.0	-103.91	360.52	7.25	-96.66
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN1C	REAL300000333116	0	35	-2.0	-109.04	339.07	5.51	-103.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(Cl)=C1	REAL300000333118	0	30	-3.0	-155.34	319.41	6.52	-148.82
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C(Cl)=C1	REAL300000333118	1	31	-2.0	-97.99	322.08	6.49	-91.50
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000333119	0	31	-2.0	-102.93	317.37	5.86	-97.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000333119	1	30	-3.0	-157.12	310.89	6.01	-151.11
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333120	1	36	-2.0	-100.11	344.38	4.81	-95.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C=C1Cl	REAL300000333121	0	35	-2.0	-107.56	342.87	6.69	-100.87
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333122	1	38	-2.0	-112.97	345.26	5.62	-107.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333124	0	27	-3.0	-159.38	298.64	5.10	-154.28
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333125	0	37	-2.0	-112.59	342.60	6.38	-106.21
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333126	0	31	-2.0	-111.96	315.51	6.00	-105.96
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333126	1	30	-3.0	-162.50	312.77	6.03	-156.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1F	REAL300000333127	0	33	-3.0	-169.51	332.12	6.67	-162.84
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333128	1	42	-2.0	-103.37	370.72	7.46	-95.91
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN1	REAL300000333129	0	32	-2.0	-105.67	321.29	3.75	-101.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(F)=C1	REAL300000333130	0	30	-3.0	-156.62	311.82	6.04	-150.58
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C(F)=C1	REAL300000333130	1	31	-2.0	-97.53	314.59	6.00	-91.53
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000333131	0	31	-2.0	-99.84	325.34	6.22	-93.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000333131	1	30	-3.0	-155.51	318.87	6.36	-149.15
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333132	1	31	-2.0	-101.70	298.70	6.22	-95.48
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C	REAL300000333133	1	37	-2.0	-103.77	348.72	6.59	-97.18
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CS1	REAL300000333134	0	31	-2.0	-104.36	325.17	5.10	-99.26
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300000333135	1	34	-2.0	-99.31	337.25	6.08	-93.23
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333136	0	30	-2.0	-101.83	303.12	3.98	-97.85
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333137	1	32	-2.0	-110.84	320.14	6.58	-104.26
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333138	1	36	-2.0	-94.22	336.25	7.74	-86.48
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1[O-]	REAL300000333139	1	36	-2.0	-98.97	347.15	2.17	-96.80
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333140	1	34	-2.0	-101.85	332.44	7.19	-94.66
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333141	1	34	-2.0	-107.46	320.80	6.84	-100.62
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333142	1	31	-2.0	-103.22	305.72	6.14	-97.08
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333143	0	34	-2.0	-100.87	335.80	4.85	-96.02
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=C1Cl	REAL300000333144	1	34	-2.0	-101.98	329.27	4.47	-97.51
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333145	0	38	-2.0	-114.67	360.83	5.87	-108.80
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333146	1	40	-2.0	-109.25	365.36	7.41	-101.84
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C(F)C=C1F	REAL300000333148	0	31	-2.0	-101.23	310.11	6.17	-95.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C=C1Cl	REAL300000333149	0	34	-2.0	-113.03	329.67	8.47	-104.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1Cl	REAL300000333150	1	34	-2.0	-113.17	318.94	7.73	-105.44
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1Cl	REAL300000333151	0	30	-2.0	-103.54	309.89	4.88	-98.66
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333152	0	31	-3.0	-170.78	316.07	3.68	-167.10
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333152	1	31	-3.0	-171.75	315.20	4.55	-167.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1Cl	REAL300000333153	1	38	-2.0	-110.29	333.23	8.04	-102.25
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333154	0	34	-2.0	-99.07	335.24	6.61	-92.46
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333154	1	33	-3.0	-161.41	328.52	6.75	-154.66
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300000333155	0	34	-2.0	-98.97	339.30	5.13	-93.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1Cl	REAL300000333156	0	30	-2.0	-96.00	312.53	6.15	-89.85
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333157	0	33	-2.0	-114.99	333.73	6.46	-108.53
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000333158	1	40	-2.0	-105.41	368.62	6.95	-98.46
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)SC=C1	REAL300000333159	0	29	-2.0	-114.33	300.07	3.69	-110.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)OC2=CC=C(F)C=C12	REAL300000333160	0	34	-2.0	-103.58	331.66	6.69	-96.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1Cl	REAL300000333161	0	31	-2.0	-106.34	307.66	5.80	-100.54
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C2C=C1	REAL300000333162	0	36	-2.0	-122.52	339.41	6.64	-115.88
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C21	REAL300000333163	1	39	-2.0	-102.42	361.21	4.91	-97.51
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C=C1Cl	REAL300000333164	1	34	-2.0	-106.30	333.32	8.14	-98.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)SC2=CC=CC(F)=C12	REAL300000333165	0	34	-2.0	-109.75	337.88	7.44	-102.31
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1F	REAL300000333166	0	33	-2.0	-103.02	331.92	6.78	-96.24
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333167	0	30	-2.0	-109.61	311.14	4.16	-105.45
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333168	0	28	-2.0	-95.22	293.93	4.32	-90.90
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)N=C1Cl	REAL300000333169	0	28	-2.0	-107.68	298.08	4.24	-103.44
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333170	1	36	-2.0	-108.96	336.89	4.01	-104.95
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1Cl	REAL300000333171	0	29	-2.0	-109.52	293.73	4.15	-105.37
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000333172	0	36	-2.0	-118.05	328.97	8.20	-109.85
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333173	0	29	-2.0	-97.82	300.13	3.24	-94.58
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333174	0	27	-2.0	-101.05	286.42	3.23	-97.82
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333175	1	33	-2.0	-96.64	325.69	6.90	-89.74
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333176	0	34	-2.0	-98.57	318.81	6.57	-92.00
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333176	1	33	-3.0	-168.04	316.43	6.60	-161.44
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(C(=O)[O-])=C1F	REAL300000333178	0	34	-2.0	-121.91	333.91	6.59	-115.32
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333179	0	34	-2.0	-105.51	321.36	6.29	-99.22
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333180	0	34	-2.0	-110.97	336.79	6.51	-104.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000333181	0	31	-2.0	-104.24	310.09	6.18	-98.06
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1[N+](=O)[O-]	REAL300000333182	0	34	-2.0	-95.95	333.44	6.15	-89.80
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(C(=O)[O-])=C1C	REAL300000333183	0	37	-2.0	-99.24	345.89	7.11	-92.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C=C1Cl	REAL300000333184	1	34	-2.0	-115.44	335.64	8.23	-107.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=C1Cl	REAL300000333185	0	31	-2.0	-101.83	323.22	6.91	-94.92
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333187	0	30	-3.0	-159.29	318.11	6.09	-153.20
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC([N+](=O)[O-])=C1F	REAL300000333188	1	33	-2.0	-95.84	330.94	6.73	-89.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C1Cl	REAL300000333189	0	27	-2.0	-102.82	296.86	4.85	-97.97
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333190	0	34	-2.0	-112.17	323.50	5.80	-106.37
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000333191	0	33	-2.0	-98.00	328.65	4.23	-93.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=C1Cl	REAL300000333192	0	27	-2.0	-96.10	303.34	4.60	-91.50
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000333193	0	37	-2.0	-102.58	342.99	7.32	-95.26
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000333194	0	33	-3.0	-169.44	327.83	6.56	-162.88
CC1=CC(F)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000333194	1	34	-2.0	-106.22	334.30	6.64	-99.58
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333195	0	33	-3.0	-176.65	331.37	6.66	-169.99
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333196	1	36	-2.0	-116.29	340.99	6.67	-109.62
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000333197	0	35	-2.0	-101.98	337.66	3.02	-98.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C([N+](=O)[O-])=N1	REAL300000333198	0	33	-2.0	-109.98	328.21	6.25	-103.73
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000333199	0	37	-2.0	-117.55	343.00	7.12	-110.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=C1Cl	REAL300000333200	0	39	-2.0	-103.64	355.06	3.96	-99.68
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333203	0	34	-2.0	-103.53	329.62	5.87	-97.66
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333204	0	37	-2.0	-105.81	350.90	7.05	-98.76
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333205	0	34	-2.0	-112.37	325.38	6.16	-106.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1Cl	REAL300000333206	0	36	-2.0	-101.95	335.97	3.16	-98.79
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1F	REAL300000333208	0	31	-2.0	-110.17	303.69	6.12	-104.05
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000333209	1	34	-2.0	-99.68	326.96	3.03	-96.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1Cl	REAL300000333210	0	35	-2.0	-114.76	323.84	5.44	-109.32
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1CC(=O)[O-]	REAL300000333211	0	38	-2.0	-111.61	363.32	5.96	-105.65
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333212	1	35	-2.0	-105.05	332.96	5.14	-99.91
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333213	0	33	-2.0	-108.72	317.16	2.39	-106.33
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1Cl	REAL300000333214	0	31	-2.0	-107.48	309.78	6.54	-100.94
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C(C)O1	REAL300000333216	0	31	-2.0	-103.13	300.87	4.98	-98.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)C=C1Cl	REAL300000333217	0	34	-2.0	-110.11	324.15	3.07	-107.04
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333219	1	35	-2.0	-104.17	324.49	5.44	-98.73
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C(C(=O)OC)O1	REAL300000333220	0	37	-2.0	-101.24	354.91	5.82	-95.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300000333222	0	28	-2.0	-104.02	282.49	4.23	-99.79
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333223	0	31	-2.0	-106.36	311.56	5.82	-100.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1Cl	REAL300000333224	1	31	-2.0	-102.99	303.95	4.07	-98.92
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=NC=CC=C2C=C1	REAL300000333225	0	36	-2.0	-121.05	331.52	7.17	-113.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1Cl	REAL300000333226	0	34	-2.0	-115.06	327.18	7.43	-107.63
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333227	0	34	-2.0	-109.29	329.53	6.87	-102.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1Cl	REAL300000333228	0	30	-2.0	-93.79	310.65	6.10	-87.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1Cl	REAL300000333229	1	28	-2.0	-97.82	301.06	5.99	-91.83
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C(C)O1	REAL300000333230	0	34	-2.0	-99.99	335.73	4.97	-95.02
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1Cl	REAL300000333231	0	27	-2.0	-97.72	289.68	4.10	-93.62
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)N=C1C	REAL300000333232	0	34	-2.0	-114.74	323.45	5.22	-109.52
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333233	0	31	-2.0	-106.93	312.44	6.64	-100.29
CCN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000333234	0	35	-2.0	-98.19	341.06	6.04	-92.15
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000333234	1	34	-3.0	-171.29	334.40	6.19	-165.10
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333235	0	31	-2.0	-103.10	317.78	4.15	-98.95
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333236	0	40	-2.0	-105.09	354.03	5.99	-99.10
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN1C	REAL300000333237	0	38	-2.0	-108.63	360.93	6.44	-102.19
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333238	1	36	-2.0	-99.91	339.93	7.46	-92.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1Cl	REAL300000333239	0	28	-2.0	-109.60	293.95	6.20	-103.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(Cl)=N1	REAL300000333240	0	30	-2.0	-105.29	307.81	4.73	-100.56
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333241	0	33	-2.0	-104.29	326.94	5.59	-98.70
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000333242	1	32	-2.0	-102.69	333.11	6.88	-95.81
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333243	0	30	-2.0	-100.69	307.91	3.99	-96.70
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C12	REAL300000333244	0	35	-2.0	-96.42	339.14	3.12	-93.30
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333245	0	30	-2.0	-99.69	317.19	5.78	-93.91
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN=C1Cl	REAL300000333246	0	31	-2.0	-96.09	318.76	3.37	-92.72
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000333247	1	37	-2.0	-103.44	353.83	6.37	-97.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=C1Cl	REAL300000333248	0	30	-2.0	-95.96	312.62	4.65	-91.31
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333249	1	34	-2.0	-102.92	339.10	6.13	-96.79
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333250	0	43	-2.0	-104.21	370.67	6.42	-97.79
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(Cl)=C1	REAL300000333252	0	29	-2.0	-98.84	311.78	6.36	-92.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1Cl	REAL300000333253	0	31	-2.0	-113.36	305.82	5.73	-107.63
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333254	0	33	-2.0	-102.53	327.88	4.27	-98.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=C1Cl	REAL300000333255	0	25	-2.0	-98.59	282.27	4.14	-94.45
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C(C2=CC=CC=C2)O1	REAL300000333256	0	37	-2.0	-111.15	352.23	4.52	-106.63
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1[N+](=O)[O-]	REAL300000333257	1	36	-2.0	-103.63	337.60	7.37	-96.26
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333258	0	38	-2.0	-113.19	341.45	7.16	-106.03
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333260	1	40	-2.0	-108.43	369.98	7.77	-100.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C=C1Cl	REAL300000333261	0	28	-2.0	-97.85	313.07	6.52	-91.33
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333262	0	28	-2.0	-98.45	306.87	5.63	-92.82
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(OC)=C1	REAL300000333263	0	38	-2.0	-106.35	360.88	5.85	-100.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1Cl	REAL300000333264	1	31	-2.0	-106.03	310.09	6.28	-99.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C=C1Cl	REAL300000333265	0	31	-2.0	-100.16	322.13	6.47	-93.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1Cl	REAL300000333266	0	31	-2.0	-102.48	316.98	4.26	-98.22
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333267	1	32	-2.0	-111.97	313.99	6.47	-105.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C=C1Cl	REAL300000333268	1	31	-2.0	-107.17	323.29	2.64	-104.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C=C1Cl	REAL300000333269	0	36	-2.0	-100.46	347.34	6.70	-93.76
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333270	1	37	-2.0	-108.23	331.91	7.41	-100.82
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=CS1	REAL300000333271	0	34	-2.0	-115.56	333.13	6.59	-108.97
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300000333272	1	32	-2.0	-99.34	313.64	4.78	-94.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1Cl	REAL300000333273	0	25	-2.0	-104.25	260.59	3.40	-100.85
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333274	0	27	-2.0	-93.21	271.33	1.87	-91.34
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=CN=C21	REAL300000333275	1	33	-2.0	-101.12	322.27	4.55	-96.57
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1Cl	REAL300000333276	0	27	-2.0	-96.58	299.06	5.18	-91.40
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333278	1	36	-2.0	-106.46	345.07	3.62	-102.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1Cl	REAL300000333279	0	32	-2.0	-107.41	305.89	4.85	-102.56
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333280	0	29	-2.0	-102.42	311.81	6.36	-96.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C1Cl	REAL300000333281	0	31	-2.0	-103.85	321.86	4.48	-99.37
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333282	1	34	-2.0	-104.68	308.12	7.13	-97.55
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333283	0	36	-2.0	-119.59	331.88	5.91	-113.68
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333285	0	31	-2.0	-110.99	297.50	6.37	-104.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C=C1Cl	REAL300000333286	0	32	-2.0	-117.82	316.27	5.48	-112.34
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333287	0	41	-2.0	-103.81	369.00	6.91	-96.90
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C12	REAL300000333288	0	36	-2.0	-120.66	335.77	6.59	-114.07
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333289	1	32	-2.0	-109.45	329.16	2.70	-106.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1Cl	REAL300000333290	0	29	-2.0	-111.63	302.67	3.72	-107.91
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333291	0	31	-2.0	-102.86	302.50	2.87	-99.99
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1OC	REAL300000333292	0	38	-2.0	-102.45	360.00	6.12	-96.33
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1)OCO2	REAL300000333294	1	34	-2.0	-102.49	318.98	4.87	-97.62
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333295	0	34	-2.0	-104.26	328.28	6.67	-97.59
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333296	1	38	-2.0	-105.76	348.44	5.24	-100.52
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333297	0	37	-2.0	-118.82	344.95	7.73	-111.09
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333298	0	31	-2.0	-108.43	322.84	2.90	-105.53
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333298	1	30	-3.0	-163.11	319.54	1.77	-161.34
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000333299	1	35	-2.0	-106.09	339.10	4.43	-101.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C=C1Cl	REAL300000333300	1	32	-2.0	-101.99	323.38	5.05	-96.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C=C1Cl	REAL300000333301	1	31	-2.0	-96.10	322.24	6.47	-89.63
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000333302	0	33	-2.0	-108.00	334.68	1.03	-106.97
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333303	1	32	-2.0	-109.07	310.74	6.67	-102.40
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333304	1	32	-2.0	-112.06	320.15	6.57	-105.49
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C1Cl	REAL300000333305	0	28	-2.0	-99.56	307.75	6.48	-93.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(N)=NO1	REAL300000333307	0	29	-2.0	-96.28	284.34	2.80	-93.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C=C1Cl	REAL300000333308	0	28	-2.0	-98.17	307.90	6.80	-91.37
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333309	0	32	-2.0	-108.38	322.88	5.72	-102.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1Cl	REAL300000333310	0	29	-2.0	-101.74	305.41	4.19	-97.55
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333311	1	35	-2.0	-107.36	322.86	5.48	-101.88
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333314	0	26	-2.0	-97.53	290.41	4.96	-92.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000333315	0	30	-2.0	-103.41	294.50	4.24	-99.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1Cl	REAL300000333316	0	33	-2.0	-105.80	319.09	5.78	-100.02
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(F)=C1	REAL300000333317	0	34	-2.0	-103.51	338.15	6.13	-97.38
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000333318	0	34	-2.0	-100.66	337.23	6.09	-94.57
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C#N	REAL300000333319	1	32	-2.0	-99.26	317.87	6.30	-92.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1Cl	REAL300000333320	0	27	-2.0	-92.51	295.64	4.09	-88.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(F)=C1	REAL300000333322	0	32	-2.0	-106.47	312.88	4.77	-101.70
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1[N+](=O)[O-]	REAL300000333323	0	36	-2.0	-116.64	338.68	8.59	-108.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C=C1Cl	REAL300000333324	1	34	-2.0	-105.38	338.88	7.19	-98.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1Cl	REAL300000333326	1	31	-2.0	-103.45	312.06	6.34	-97.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=C1Cl	REAL300000333327	1	38	-2.0	-110.59	352.10	8.82	-101.77
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)N(C)N=C1	REAL300000333329	0	31	-2.0	-97.93	294.77	3.88	-94.05
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300000333330	0	26	-2.0	-96.96	281.82	3.95	-93.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1Cl	REAL300000333331	0	25	-2.0	-102.81	269.01	4.32	-98.49
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1Cl	REAL300000333332	0	25	-2.0	-103.11	260.44	3.29	-99.82
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333333	0	39	-2.0	-113.91	361.22	4.92	-108.99
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000333334	0	34	-2.0	-100.98	325.03	6.48	-94.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000333335	1	31	-2.0	-99.74	305.08	2.10	-97.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1Cl	REAL300000333336	0	28	-2.0	-104.39	300.13	5.99	-98.40
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333337	0	37	-2.0	-107.10	355.42	8.18	-98.92
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333338	0	37	-2.0	-106.74	351.25	7.89	-98.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1Cl	REAL300000333339	0	31	-2.0	-106.58	314.46	6.77	-99.81
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333340	1	40	-2.0	-112.67	376.73	7.77	-104.90
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)N(C)N=C1	REAL300000333341	0	37	-2.0	-104.98	348.99	5.40	-99.58
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C	REAL300000333342	1	40	-2.0	-104.01	370.61	7.52	-96.49
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2O1	REAL300000333343	0	39	-2.0	-117.93	355.77	6.63	-111.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1Cl	REAL300000333344	0	31	-2.0	-110.68	304.51	4.03	-106.65
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333345	1	34	-2.0	-97.89	332.12	7.17	-90.72
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333346	1	35	-2.0	-108.42	329.26	5.63	-102.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1Cl	REAL300000333347	0	28	-2.0	-106.06	300.24	6.27	-99.79
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2C=C1	REAL300000333348	1	37	-2.0	-108.65	345.21	8.35	-100.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1Cl	REAL300000333349	0	25	-2.0	-104.23	285.88	4.86	-99.37
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333350	0	28	-2.0	-103.45	291.46	5.07	-98.38
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333351	1	41	-2.0	-109.81	374.35	5.77	-104.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1Cl	REAL300000333352	0	25	-2.0	-101.80	276.19	2.22	-99.58
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C=C1Cl	REAL300000333353	0	33	-2.0	-113.54	332.42	6.48	-107.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1Cl	REAL300000333354	0	27	-2.0	-100.26	284.82	3.52	-96.74
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333355	0	37	-2.0	-100.56	342.37	4.46	-96.10
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000333356	1	37	-2.0	-100.16	347.08	3.96	-96.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1Cl	REAL300000333359	0	31	-2.0	-100.84	314.08	5.87	-94.97
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333360	0	33	-2.0	-112.25	324.93	4.39	-107.86
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333361	0	27	-2.0	-97.74	286.39	3.70	-94.04
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C=C1Cl	REAL300000333363	0	32	-2.0	-87.57	325.53	4.95	-82.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C=C1Cl	REAL300000333363	1	32	-2.0	-103.14	326.73	4.11	-99.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C=C1Cl	REAL300000333364	0	34	-2.0	-100.83	333.81	6.81	-94.02
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1Cl	REAL300000333366	0	25	-2.0	-106.54	276.17	4.45	-102.09
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C2NC1=O	REAL300000333367	1	37	-2.0	-102.79	348.98	5.15	-97.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C=C1Cl	REAL300000333368	0	34	-2.0	-118.23	338.73	3.83	-114.40
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(F)(F)F)=N1	REAL300000333369	0	31	-2.0	-105.15	316.54	4.26	-100.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1Cl	REAL300000333370	1	37	-2.0	-104.40	342.72	7.00	-97.40
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000333371	1	29	-2.0	-96.64	304.62	5.84	-90.80
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000333372	0	33	-2.0	-96.95	330.25	6.77	-90.18
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333373	0	34	-2.0	-118.85	325.87	6.33	-112.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=C1Cl	REAL300000333374	0	29	-2.0	-102.65	310.78	4.70	-97.95
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C1Cl	REAL300000333377	0	28	-2.0	-97.53	310.48	5.60	-91.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1Cl	REAL300000333378	0	25	-2.0	-106.19	259.53	1.99	-104.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1Cl	REAL300000333379	0	33	-2.0	-109.90	314.89	2.32	-107.58
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333380	0	31	-2.0	-106.98	310.51	5.85	-101.13
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN=C1C	REAL300000333381	0	36	-2.0	-98.34	344.14	4.75	-93.59
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333382	0	30	-2.0	-97.21	305.46	4.79	-92.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C(F)(F)F	REAL300000333383	1	34	-2.0	-99.12	332.33	6.92	-92.20
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333384	1	37	-2.0	-112.85	354.86	6.84	-106.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=C1Cl	REAL300000333385	1	30	-2.0	-96.82	317.65	5.27	-91.55
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=NN1C	REAL300000333387	0	31	-2.0	-103.61	298.56	3.64	-99.97
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333388	1	32	-2.0	-105.38	308.98	6.49	-98.89
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333389	1	41	-2.0	-117.08	371.86	6.27	-110.81
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333390	0	31	-2.0	-104.23	301.29	3.77	-100.46
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333391	1	35	-2.0	-103.85	349.71	5.64	-98.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1Cl	REAL300000333392	0	28	-2.0	-101.73	293.57	2.93	-98.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C1Cl	REAL300000333393	0	34	-2.0	-99.19	324.20	5.34	-93.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C=C1Cl	REAL300000333394	0	36	-2.0	-96.72	349.05	3.97	-92.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C=C1Cl	REAL300000333396	0	31	-2.0	-102.73	315.12	2.97	-99.76
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1Cl	REAL300000333397	1	32	-2.0	-99.95	323.45	5.27	-94.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000333398	0	30	-3.0	-175.96	310.02	6.00	-169.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C1Cl	REAL300000333399	0	25	-2.0	-108.31	277.26	3.41	-104.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1Cl	REAL300000333400	0	30	-2.0	-115.34	309.10	4.83	-110.51
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1Cl	REAL300000333401	1	33	-2.0	-108.65	313.71	5.25	-103.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C1Cl	REAL300000333402	0	34	-2.0	-112.25	328.41	7.72	-104.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C=C1Cl	REAL300000333403	0	31	-2.0	-108.22	318.06	4.48	-103.74
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333405	0	31	-2.0	-107.72	305.03	6.91	-100.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C=C1Cl	REAL300000333406	0	32	-2.0	-103.04	322.31	5.54	-97.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1Cl	REAL300000333407	0	33	-2.0	-114.47	314.20	5.24	-109.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=CC=CC(C)=C2S1	REAL300000333408	0	37	-2.0	-107.49	348.99	8.40	-99.09
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(F)=C1	REAL300000333413	0	31	-2.0	-111.36	307.81	6.37	-104.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C1Cl	REAL300000333414	0	27	-2.0	-97.58	302.94	4.60	-92.98
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1Br	REAL300000333415	0	28	-2.0	-99.89	301.46	3.56	-96.33
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000333416	1	33	-2.0	-105.56	321.76	3.86	-101.70
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000333418	0	34	-2.0	-95.14	334.21	6.60	-88.54
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000333418	1	33	-3.0	-164.52	331.31	6.64	-157.88
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333420	0	32	-2.0	-108.52	312.56	5.26	-103.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C=C1Cl	REAL300000333421	1	31	-2.0	-96.74	317.49	4.51	-92.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1[N+](=O)[O-]	REAL300000333422	1	36	-2.0	-104.54	340.32	7.23	-97.31
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333423	0	44	-2.0	-113.61	382.30	7.52	-106.09
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000333425	0	31	-2.0	-96.79	321.16	2.64	-94.15
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333426	0	27	-2.0	-95.86	276.65	3.32	-92.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)C=C1Cl	REAL300000333427	1	32	-2.0	-101.40	327.65	3.56	-97.84
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1Cl	REAL300000333428	1	31	-2.0	-100.93	313.39	6.50	-94.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1Cl	REAL300000333429	1	34	-2.0	-114.92	326.00	6.39	-108.53
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C([N+](=O)[O-])S1	REAL300000333430	0	30	-2.0	-110.96	312.47	6.60	-104.36
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333431	1	33	-2.0	-118.39	319.36	1.44	-116.95
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=C1Cl	REAL300000333432	1	31	-2.0	-101.18	319.90	3.61	-97.57
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1Cl	REAL300000333433	0	27	-2.0	-107.87	278.38	3.59	-104.28
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1Cl	REAL300000333435	0	27	-2.0	-96.58	279.31	3.56	-93.02
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333437	0	35	-2.0	-108.96	345.66	7.16	-101.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1Cl	REAL300000333439	1	28	-2.0	-97.48	300.52	5.98	-91.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C1Cl	REAL300000333440	0	37	-2.0	-111.05	339.59	5.77	-105.28
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1Cl	REAL300000333441	0	36	-2.0	-114.36	330.08	6.62	-107.74
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333442	0	38	-2.0	-104.49	351.02	4.39	-100.10
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333445	1	35	-2.0	-116.40	333.83	2.84	-113.56
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)N(C)N=C1	REAL300000333448	0	34	-2.0	-104.76	327.13	4.48	-100.28
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C	REAL300000333449	1	39	-2.0	-108.63	362.62	4.50	-104.13
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333451	1	41	-2.0	-108.80	367.93	7.07	-101.73
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000333454	0	33	-2.0	-109.89	323.14	7.51	-102.38
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN1CC1CC1	REAL300000333455	0	41	-2.0	-115.21	372.02	7.21	-108.00
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300000333456	0	34	-2.0	-99.40	335.33	4.78	-94.62
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2C1	REAL300000333457	1	39	-2.0	-112.26	362.89	5.97	-106.29
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1Cl	REAL300000333458	0	31	-2.0	-102.59	317.65	4.91	-97.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=C1[N+](=O)[O-]	REAL300000333459	1	36	-2.0	-100.68	341.96	7.73	-92.95
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333460	0	31	-2.0	-91.85	319.50	4.03	-87.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1Cl	REAL300000333461	0	27	-2.0	-100.75	295.28	4.01	-96.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=C1Cl	REAL300000333462	1	38	-2.0	-116.86	344.00	8.81	-108.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(F)=C1F	REAL300000333463	0	31	-2.0	-106.96	309.98	6.18	-100.78
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)OC=C1	REAL300000333464	0	31	-2.0	-111.35	310.03	4.87	-106.48
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000333466	0	30	-2.0	-117.37	304.98	4.39	-112.98
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=N1	REAL300000333467	0	40	-2.0	-102.90	365.81	6.17	-96.73
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333468	0	29	-3.0	-167.30	303.34	4.03	-163.27
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333469	0	32	-2.0	-105.01	310.65	5.54	-99.47
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000333471	1	40	-2.0	-103.14	356.12	7.66	-95.48
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333472	1	29	-2.0	-97.69	305.15	5.87	-91.82
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C(F)(F)F	REAL300000333473	0	31	-2.0	-99.97	311.04	4.04	-95.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1Cl	REAL300000333474	0	30	-2.0	-116.12	301.06	4.60	-111.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1Cl	REAL300000333474	1	30	-2.0	-103.42	301.16	4.45	-98.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1Cl	REAL300000333475	0	32	-2.0	-111.82	311.63	5.37	-106.45
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333476	0	38	-2.0	-102.35	338.89	5.53	-96.82
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(C)(C)C)=N1	REAL300000333477	0	40	-2.0	-102.74	346.31	6.02	-96.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1Cl	REAL300000333478	0	38	-2.0	-103.34	345.33	5.76	-97.58
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(Br)=N1	REAL300000333479	0	28	-2.0	-103.09	303.14	3.61	-99.48
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1Cl	REAL300000333481	0	29	-2.0	-88.99	293.30	3.94	-85.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1Cl	REAL300000333481	1	29	-2.0	-103.85	294.08	3.16	-100.69
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333483	0	31	-2.0	-118.74	308.90	3.07	-115.67
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333484	0	34	-2.0	-103.43	320.75	4.57	-98.86
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000333485	1	33	-2.0	-105.46	322.94	5.88	-99.58
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000333486	0	28	-2.0	-98.86	283.12	2.77	-96.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=C1Cl	REAL300000333487	1	31	-2.0	-99.91	314.59	6.31	-93.60
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333490	1	35	-2.0	-108.80	341.64	7.36	-101.44
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333492	0	28	-2.0	-94.90	297.14	1.20	-93.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1Cl	REAL300000333494	0	24	-2.0	-97.49	264.64	3.11	-94.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333496	0	34	-3.0	-161.80	334.56	5.76	-156.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333496	1	35	-2.0	-102.53	337.36	5.72	-96.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C(C(N)=O)O1	REAL300000333497	0	32	-2.0	-103.76	317.40	1.02	-102.74
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333498	1	37	-2.0	-105.41	329.61	7.91	-97.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1Cl	REAL300000333499	0	28	-2.0	-99.93	298.13	5.32	-94.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C(Cl)O1	REAL300000333500	0	27	-3.0	-156.89	306.50	4.95	-151.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1Cl	REAL300000333501	1	33	-2.0	-113.44	314.14	5.92	-107.52
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333502	0	35	-2.0	-105.50	338.31	5.67	-99.83
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1F	REAL300000333503	0	29	-2.0	-107.29	303.72	5.82	-101.47
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333504	0	31	-2.0	-96.37	332.47	4.68	-91.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1Cl	REAL300000333505	0	35	-2.0	-103.54	327.81	5.09	-98.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1Cl	REAL300000333506	0	35	-2.0	-99.34	325.19	5.31	-94.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1Cl	REAL300000333507	0	38	-2.0	-98.50	338.07	6.23	-92.27
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=NN2C1	REAL300000333508	0	39	-2.0	-109.94	352.94	3.42	-106.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C=C1Cl	REAL300000333509	0	34	-2.0	-103.53	344.73	6.31	-97.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C1Cl	REAL300000333510	1	34	-2.0	-103.83	328.65	2.63	-101.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C1Cl	REAL300000333511	0	25	-2.0	-102.26	278.56	4.14	-98.12
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000333512	1	32	-2.0	-94.93	323.77	4.95	-89.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1Cl	REAL300000333513	0	35	-2.0	-105.26	320.81	5.48	-99.78
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000333514	0	32	-2.0	-102.44	319.07	4.84	-97.60
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333516	0	38	-2.0	-110.18	352.35	6.80	-103.38
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333517	0	31	-2.0	-102.38	300.95	6.11	-96.27
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2O1	REAL300000333518	0	36	-2.0	-115.51	335.07	5.99	-109.52
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333519	0	36	-2.0	-101.62	346.56	5.07	-96.55
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)CC1	REAL300000333520	1	36	-2.0	-107.12	346.13	7.62	-99.50
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333521	0	32	-2.0	-107.55	317.88	6.03	-101.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1Cl	REAL300000333522	0	25	-2.0	-102.64	283.32	4.84	-97.80
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333523	0	28	-2.0	-93.34	299.85	3.53	-89.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C1Cl	REAL300000333524	0	30	-2.0	-96.58	312.06	4.60	-91.98
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333525	0	33	-2.0	-118.75	319.64	5.01	-113.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1Cl	REAL300000333526	1	29	-2.0	-95.61	292.78	4.19	-91.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1Cl	REAL300000333527	0	31	-2.0	-106.39	316.75	6.85	-99.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C1Cl	REAL300000333528	0	31	-2.0	-118.34	322.81	5.12	-113.22
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333529	0	35	-2.0	-98.10	328.82	5.19	-92.91
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1OC	REAL300000333531	0	36	-2.0	-109.65	333.62	5.34	-104.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C=C1Cl	REAL300000333532	1	37	-2.0	-112.07	346.23	2.63	-109.44
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1Cl	REAL300000333533	0	31	-2.0	-106.76	307.67	5.69	-101.07
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1OC	REAL300000333534	0	36	-2.0	-112.71	340.87	5.67	-107.04
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C2CCCC2)=N1	REAL300000333535	0	41	-2.0	-107.48	366.69	6.30	-101.18
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C2CC2)=N1	REAL300000333536	0	35	-2.0	-106.69	333.20	5.34	-101.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1Cl	REAL300000333538	0	31	-2.0	-111.95	307.33	4.61	-107.34
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C21	REAL300000333539	0	33	-2.0	-121.71	322.44	3.81	-117.90
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=C21	REAL300000333540	0	35	-2.0	-107.54	318.84	7.32	-100.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN=C1N	REAL300000333541	1	32	-2.0	-105.43	305.93	3.11	-102.32
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333542	0	28	-2.0	-102.27	295.19	1.28	-100.99
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)N=CN1	REAL300000333543	0	28	-2.0	-112.89	278.28	3.43	-109.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1Cl	REAL300000333545	1	31	-2.0	-103.17	311.60	5.79	-97.38
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C2CCC2)=N1	REAL300000333546	0	38	-2.0	-105.86	349.44	5.81	-100.05
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333547	1	46	-2.0	-109.37	392.13	9.33	-100.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1Cl	REAL300000333548	0	25	-2.0	-102.19	283.73	4.94	-97.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1Cl	REAL300000333549	0	38	-2.0	-103.94	351.88	6.06	-97.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1Cl	REAL300000333550	0	32	-2.0	-109.25	316.03	6.52	-102.73
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333551	1	41	-2.0	-113.80	367.69	3.81	-109.99
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=NC=CC=C2C=C1	REAL300000333552	0	37	-2.0	-129.23	343.33	6.60	-122.63
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333553	1	37	-2.0	-107.60	342.29	7.62	-99.98
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333554	0	34	-2.0	-96.78	334.17	3.75	-93.03
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333555	0	35	-2.0	-103.14	323.59	4.94	-98.20
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333557	0	37	-2.0	-97.35	324.88	5.32	-92.03
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000333558	0	37	-2.0	-104.19	342.40	5.12	-99.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1Cl	REAL300000333559	0	35	-2.0	-103.17	326.44	4.50	-98.67
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN=C1C(F)(F)F	REAL300000333560	0	33	-2.0	-96.33	328.83	5.23	-91.10
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000333561	0	39	-2.0	-103.24	352.18	6.23	-97.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C=C1Cl	REAL300000333562	0	30	-2.0	-90.86	316.93	6.15	-84.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C=C1Cl	REAL300000333563	1	31	-2.0	-97.05	323.04	6.48	-90.57
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1Cl	REAL300000333564	1	31	-2.0	-104.61	305.88	6.22	-98.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C1Cl	REAL300000333565	0	28	-2.0	-104.86	299.43	5.78	-99.08
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C1Cl	REAL300000333566	0	28	-2.0	-97.03	309.64	5.52	-91.51
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333567	0	31	-2.0	-97.85	300.07	3.63	-94.22
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000333569	1	34	-2.0	-106.11	311.10	6.74	-99.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1Cl	REAL300000333570	0	31	-2.0	-105.61	299.81	6.57	-99.04
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333571	1	39	-2.0	-115.75	362.49	7.44	-108.31
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000333573	1	38	-2.0	-109.52	358.15	7.09	-102.43
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333574	1	37	-2.0	-105.45	356.30	7.06	-98.39
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1Cl	REAL300000333575	0	29	-2.0	-104.82	310.51	6.25	-98.57
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1Cl	REAL300000333576	0	28	-2.0	-104.90	297.92	5.64	-99.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1Cl	REAL300000333577	1	35	-2.0	-107.46	327.14	7.51	-99.95
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CS1	REAL300000333578	0	29	-2.0	-108.64	300.13	3.86	-104.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C=C1Cl	REAL300000333579	0	31	-2.0	-103.49	310.16	6.86	-96.63
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333580	0	34	-2.0	-100.07	344.07	5.76	-94.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1Cl	REAL300000333581	0	35	-2.0	-107.67	332.61	7.57	-100.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1Cl	REAL300000333582	0	38	-2.0	-100.78	342.65	6.03	-94.75
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333583	0	37	-2.0	-99.03	337.84	5.32	-93.71
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333584	1	37	-2.0	-111.11	349.10	2.92	-108.19
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333585	0	31	-2.0	-110.56	331.83	1.90	-108.66
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)C2=N1	REAL300000333586	0	33	-2.0	-114.17	321.50	3.77	-110.40
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300000333587	0	31	-2.0	-105.08	303.99	5.01	-100.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1Cl	REAL300000333588	0	28	-2.0	-97.34	301.75	4.63	-92.71
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333589	0	32	-2.0	-101.46	318.82	5.34	-96.12
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C2CCOCC2)=N1	REAL300000333590	0	42	-2.0	-104.89	376.23	4.54	-100.35
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333591	1	34	-2.0	-105.72	331.12	6.94	-98.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1Cl	REAL300000333592	1	32	-2.0	-105.58	317.16	4.99	-100.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000333594	0	29	-2.0	-102.70	301.70	3.85	-98.85
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=NC=CC=C12	REAL300000333595	0	39	-2.0	-121.65	349.33	7.75	-113.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1Cl	REAL300000333597	0	31	-2.0	-101.34	310.58	4.11	-97.23
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333598	1	38	-2.0	-108.61	354.83	6.09	-102.52
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1Cl	REAL300000333599	0	31	-2.0	-100.28	329.57	4.88	-95.40
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333600	0	38	-2.0	-100.06	357.57	6.61	-93.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1Cl	REAL300000333601	0	41	-2.0	-103.07	364.29	6.35	-96.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1Cl	REAL300000333602	1	31	-2.0	-107.62	299.53	6.33	-101.29
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333603	1	40	-2.0	-110.07	364.59	8.01	-102.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1Cl	REAL300000333604	0	31	-2.0	-107.16	303.40	5.81	-101.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1Cl	REAL300000333605	1	30	-2.0	-107.25	308.84	4.80	-102.45
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000333606	0	30	-2.0	-103.08	298.62	2.27	-100.81
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1Cl	REAL300000333607	0	31	-2.0	-100.39	319.59	4.34	-96.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C=C1Cl	REAL300000333608	0	30	-2.0	-99.50	318.11	4.60	-94.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1Cl	REAL300000333609	0	25	-2.0	-98.29	277.64	4.03	-94.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C=C1Cl	REAL300000333610	1	33	-2.0	-114.59	331.11	6.37	-108.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=CC=CC=C12	REAL300000333611	1	37	-2.0	-115.13	336.68	8.25	-106.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C1Cl	REAL300000333613	0	28	-2.0	-99.51	305.41	6.02	-93.49
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300000333614	0	34	-2.0	-114.95	341.53	1.70	-113.25
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C2=CC=CC=C2)=N1	REAL300000333615	0	38	-2.0	-108.86	355.30	6.82	-102.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1Cl	REAL300000333617	0	32	-2.0	-104.67	321.71	6.72	-97.95
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1[N+](=O)[O-]	REAL300000333618	1	31	-2.0	-97.10	323.35	6.22	-90.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C=C1Cl	REAL300000333620	0	24	-2.0	-95.52	281.84	3.83	-91.69
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333621	0	28	-2.0	-103.30	282.48	4.08	-99.22
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000333622	1	38	-2.0	-104.80	364.56	7.30	-97.50
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1	REAL300000333623	0	34	-2.0	-102.61	338.26	3.20	-99.41
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1OC	REAL300000333624	0	33	-2.0	-106.30	330.90	3.43	-102.87
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=C1Cl	REAL300000333625	0	29	-2.0	-90.50	317.15	4.41	-86.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=C1Cl	REAL300000333625	1	28	-3.0	-156.12	314.48	4.44	-151.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1Cl	REAL300000333626	0	27	-2.0	-92.30	295.54	4.05	-88.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C=C1Cl	REAL300000333627	1	32	-2.0	-104.72	323.40	5.05	-99.67
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333628	0	34	-2.0	-102.54	322.31	5.35	-97.19
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000333629	1	35	-2.0	-112.37	331.61	7.18	-105.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C=C1Cl	REAL300000333630	0	31	-2.0	-106.77	308.57	6.80	-99.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=C1Cl	REAL300000333631	0	25	-2.0	-95.18	302.99	5.50	-89.68
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1Cl	REAL300000333632	0	28	-2.0	-100.16	297.74	3.47	-96.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C=C1Cl	REAL300000333633	1	33	-2.0	-102.64	330.57	6.08	-96.56
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333634	0	34	-2.0	-117.05	315.74	7.23	-109.82
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)OC=C1	REAL300000333635	0	26	-2.0	-106.32	279.75	3.87	-102.45
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333636	0	30	-2.0	-96.56	305.64	4.80	-91.76
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333637	1	39	-2.0	-109.16	361.24	7.02	-102.14
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C2CC2)=N1	REAL300000333638	0	38	-2.0	-105.83	354.75	6.21	-99.62
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=NSN=C2C=C1	REAL300000333639	0	32	-2.0	-112.45	315.91	4.77	-107.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C=C1Cl	REAL300000333640	1	34	-2.0	-104.12	340.55	8.19	-95.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(=O)NC(=O)N1	REAL300000333641	1	31	-2.0	-107.89	300.77	1.48	-106.41
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333642	0	41	-2.0	-101.68	364.67	6.62	-95.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1Cl	REAL300000333643	0	25	-2.0	-102.51	276.67	3.92	-98.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1Cl	REAL300000333644	0	25	-2.0	-98.79	286.70	4.92	-93.87
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333645	0	42	-2.0	-112.81	382.72	5.70	-107.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C=C1Cl	REAL300000333646	0	34	-2.0	-108.62	336.75	8.24	-100.38
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333647	0	36	-2.0	-100.26	330.21	3.15	-97.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1Cl	REAL300000333648	1	35	-2.0	-109.14	321.45	7.57	-101.57
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=N1	REAL300000333652	1	34	-2.0	-98.74	320.74	2.85	-95.89
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333653	0	34	-2.0	-109.84	325.29	3.24	-106.60
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333654	0	31	-2.0	-103.98	320.60	3.09	-100.89
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C	REAL300000333655	1	34	-2.0	-100.52	325.22	2.83	-97.69
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000333656	0	37	-2.0	-103.26	340.87	5.57	-97.69
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333657	0	37	-2.0	-103.45	341.50	5.15	-98.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C1Cl	REAL300000333658	0	27	-2.0	-102.49	305.24	3.39	-99.10
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CO1	REAL300000333659	0	26	-2.0	-105.58	280.87	3.82	-101.76
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)SC=C1	REAL300000333660	0	26	-2.0	-109.15	289.96	4.75	-104.40
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333661	0	34	-2.0	-99.48	319.62	4.68	-94.80
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C	REAL300000333662	0	36	-2.0	-98.36	344.68	4.78	-93.58
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1Cl	REAL300000333663	0	38	-2.0	-111.13	355.22	7.82	-103.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1Cl	REAL300000333663	1	37	-3.0	-164.49	352.48	7.85	-156.64
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333664	0	31	-2.0	-110.91	319.74	7.22	-103.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1Cl	REAL300000333665	0	35	-2.0	-99.46	330.11	5.53	-93.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1Cl	REAL300000333666	0	35	-2.0	-103.63	331.62	6.56	-97.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=NN1C(C)C	REAL300000333668	0	37	-2.0	-105.28	340.99	5.21	-100.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=C1Cl	REAL300000333669	1	35	-2.0	-112.75	337.76	7.61	-105.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1Cl	REAL300000333670	0	30	-2.0	-100.80	305.27	4.43	-96.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)C=C1Cl	REAL300000333671	0	28	-2.0	-102.54	317.30	1.53	-101.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C=C1Cl	REAL300000333673	1	35	-2.0	-105.98	339.39	7.64	-98.34
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)C=C1Cl	REAL300000333674	0	32	-2.0	-106.63	328.35	5.87	-100.76
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1Cl	REAL300000333675	0	38	-2.0	-102.95	358.40	7.72	-95.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1Cl	REAL300000333675	1	37	-3.0	-170.62	351.81	7.85	-162.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1Cl	REAL300000333676	1	29	-2.0	-106.65	288.92	2.55	-104.10
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333677	1	37	-2.0	-109.29	342.73	7.09	-102.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C1Cl	REAL300000333678	0	31	-2.0	-113.70	317.56	6.40	-107.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1Cl	REAL300000333679	0	24	-2.0	-95.86	263.54	3.00	-92.86
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1Cl	REAL300000333680	0	32	-2.0	-115.45	325.79	4.68	-110.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=C1Cl	REAL300000333681	1	35	-2.0	-111.44	333.72	7.71	-103.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(Cl)=C1Cl	REAL300000333682	0	31	-2.0	-104.19	324.95	7.01	-97.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C=C1Cl	REAL300000333683	0	35	-2.0	-104.09	345.84	6.46	-97.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(F)F)=C1	REAL300000333684	1	35	-2.0	-111.16	328.35	5.99	-105.17
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333685	0	33	-2.0	-113.52	318.69	5.00	-108.52
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333686	0	34	-2.0	-122.95	327.24	6.96	-115.99
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=NC=CC=C12	REAL300000333687	0	36	-2.0	-121.13	335.62	6.57	-114.56
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000333688	0	33	-3.0	-163.35	328.49	5.97	-157.38
CCC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000333688	1	34	-2.0	-112.41	331.18	5.39	-107.02
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333689	0	41	-2.0	-114.46	367.36	7.40	-107.06
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C(Cl)S1	REAL300000333690	0	28	-2.0	-98.62	303.17	5.81	-92.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1Cl	REAL300000333691	0	24	-2.0	-100.94	264.48	2.52	-98.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1Cl	REAL300000333692	0	35	-2.0	-106.11	323.63	4.73	-101.38
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333693	0	31	-2.0	-109.50	304.81	6.13	-103.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=CC=C1F	REAL300000333694	1	42	-2.0	-108.05	378.82	7.32	-100.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C1	REAL300000333695	1	42	-2.0	-97.40	374.25	7.29	-90.11
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C1	REAL300000333696	1	42	-2.0	-109.65	374.27	7.28	-102.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COCC2CC2)=C1	REAL300000333697	0	46	-2.0	-115.19	402.42	7.08	-108.11
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C1	REAL300000333698	1	46	-2.0	-96.97	405.72	8.58	-88.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C1C(=O)[O-]	REAL300000333699	1	45	-2.0	-111.99	390.29	7.82	-104.17
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C1	REAL300000333700	0	42	-2.0	-105.17	387.34	7.86	-97.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=CC=C1Cl	REAL300000333701	1	42	-2.0	-106.43	386.79	7.68	-98.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C1C	REAL300000333702	1	48	-2.0	-112.38	406.95	8.63	-103.75
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C1	REAL300000333703	0	42	-2.0	-107.03	379.75	7.35	-99.68
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C1	REAL300000333704	1	48	-2.0	-96.24	417.84	8.88	-87.36
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C1	REAL300000333705	0	39	-2.0	-103.96	367.46	6.30	-97.66
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COCC2CC2)=C1	REAL300000333706	1	45	-2.0	-110.26	389.70	8.07	-102.19
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C1C(=O)[O-]	REAL300000333708	0	43	-2.0	-108.11	380.92	6.64	-101.47
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C1	REAL300000333710	0	42	-2.0	-100.57	383.38	6.96	-93.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=CS1	REAL300000333712	0	39	-2.0	-105.37	365.92	6.32	-99.05
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COCC2CC2)=C1	REAL300000333714	1	48	-2.0	-108.43	404.42	9.00	-99.43
CC1=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C(C(=O)[O-])O1	REAL300000333715	0	42	-2.0	-103.28	377.28	6.42	-96.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C1	REAL300000333716	0	46	-2.0	-111.77	403.26	6.37	-105.40
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COCC2CC2)=C1	REAL300000333717	1	45	-2.0	-100.79	394.98	8.10	-92.69
CC1=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C(C(=O)[O-])S1	REAL300000333718	1	42	-2.0	-106.70	382.87	7.18	-99.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C(Cl)=C1	REAL300000333719	0	42	-2.0	-94.94	387.32	7.85	-87.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C1F	REAL300000333720	1	42	-2.0	-96.69	378.80	7.33	-89.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)S1	REAL300000333721	0	39	-2.0	-99.36	366.54	6.41	-92.95
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C1	REAL300000333722	1	42	-2.0	-100.49	380.68	7.35	-93.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C1F	REAL300000333723	0	45	-2.0	-108.51	400.03	7.99	-100.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C(F)=C1	REAL300000333724	0	42	-2.0	-97.03	379.74	7.36	-89.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C1Cl	REAL300000333725	1	42	-2.0	-94.90	386.77	7.69	-87.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=CC(F)=C1F	REAL300000333726	1	42	-2.0	-99.32	385.09	7.38	-91.94
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C1	REAL300000333727	0	43	-2.0	-109.10	383.99	4.99	-104.11
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(COCC3CC3)=C2)=C1	REAL300000333727	1	43	-2.0	-105.72	383.17	5.78	-99.94
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C1	REAL300000333728	1	45	-2.0	-100.92	396.44	8.07	-92.85
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(COCC2CC2)=C1	REAL300000333729	1	45	-2.0	-106.91	384.34	7.92	-98.99
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=CC(C(=O)[O-])=C1F	REAL300000333730	1	45	-2.0	-108.34	399.11	7.94	-100.40
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=CC(C(=O)[O-])=C1C	REAL300000333732	1	48	-2.0	-115.38	411.07	8.45	-106.93
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C1	REAL300000333733	0	42	-2.0	-98.68	386.03	7.41	-91.27
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C1C(=O)[O-]	REAL300000333735	0	45	-2.0	-109.29	399.59	7.97	-101.32
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C1	REAL300000333736	0	45	-2.0	-116.06	399.31	7.98	-108.08
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C1C(=O)[O-]	REAL300000333737	1	48	-2.0	-111.55	408.21	8.47	-103.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C1C(=O)[O-]	REAL300000333738	0	46	-2.0	-110.30	402.41	7.50	-102.80
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=CC=C1C(=O)[O-]	REAL300000333739	1	45	-2.0	-97.65	390.28	7.83	-89.82
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C1F	REAL300000333741	0	42	-2.0	-115.22	377.93	7.32	-107.90
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C1C(=O)[O-]	REAL300000333742	1	45	-2.0	-103.19	399.21	7.96	-95.23
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C1	REAL300000333743	0	41	-2.0	-106.88	371.26	5.34	-101.54
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(COCC2CC2)=C1	REAL300000333744	0	46	-2.0	-101.67	402.47	7.09	-94.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)=C(Cl)O1	REAL300000333745	0	39	-2.0	-97.32	374.42	6.26	-91.06
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(COCC3CC3)=C2)C=C(C(=O)[O-])O1	REAL300000333746	0	45	-2.0	-102.97	396.41	7.27	-95.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)=CC=C1F	REAL300000333747	1	43	-2.0	-110.34	378.63	5.73	-104.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)C=C1	REAL300000333748	1	43	-2.0	-100.57	374.08	5.70	-94.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)=C1	REAL300000333749	1	43	-2.0	-112.95	374.09	5.70	-107.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)C=C1C(=O)[O-]	REAL300000333750	1	46	-2.0	-115.55	394.17	6.34	-109.21
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)=C1	REAL300000333751	0	43	-2.0	-109.69	379.57	5.77	-103.92
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)=C1	REAL300000333752	0	40	-2.0	-107.20	367.28	4.73	-102.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC2CCCO2)=C1	REAL300000333753	1	46	-2.0	-112.89	389.53	6.48	-106.41
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)C=C1C(=O)[O-]	REAL300000333754	0	44	-2.0	-111.41	380.74	5.05	-106.36
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)=C1	REAL300000333755	0	43	-2.0	-103.66	383.20	5.38	-98.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)=CS1	REAL300000333756	0	40	-2.0	-108.69	365.75	4.74	-103.95
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)C=C(C(=O)[O-])O1	REAL300000333757	0	43	-2.0	-106.17	377.10	4.84	-101.33
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)C=C(C(=O)[O-])S1	REAL300000333758	0	43	-2.0	-109.42	382.69	5.59	-103.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)C=C1F	REAL300000333759	1	43	-2.0	-99.96	378.61	5.74	-94.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)S1	REAL300000333760	0	40	-2.0	-102.27	366.36	4.82	-97.45
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)=C1	REAL300000333761	1	43	-2.0	-103.80	380.51	5.75	-98.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)C(F)=C1	REAL300000333762	0	43	-2.0	-100.11	379.56	5.77	-94.34
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)=C1	REAL300000333763	0	44	-2.0	-111.52	383.81	3.42	-108.10
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(OCC3CCCO3)=C2)=C1	REAL300000333763	1	44	-2.0	-109.74	382.98	4.21	-105.53
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)C=C1	REAL300000333764	1	46	-2.0	-103.52	396.28	6.48	-97.04
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC2CCCO2)=C1	REAL300000333765	1	46	-2.0	-110.30	384.16	6.34	-103.96
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC2CCCO2)=C1	REAL300000333766	1	46	-2.0	-100.47	389.51	6.46	-94.01
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)C=C1C(=O)[O-]	REAL300000333767	0	47	-2.0	-112.73	402.12	5.92	-106.81
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)=CC=C1C(=O)[O-]	REAL300000333768	1	46	-2.0	-100.69	390.10	6.24	-94.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)=C1F	REAL300000333769	0	43	-2.0	-118.57	377.71	5.72	-112.85
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)=C1	REAL300000333770	0	42	-2.0	-109.18	371.08	3.75	-105.43
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC3CCCO3)=C2)C=C(C(=O)[O-])O1	REAL300000333771	0	46	-2.0	-105.91	396.23	5.69	-100.22
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1NS(C)(=O)=O	REAL300000333773	1	39	-2.0	-115.87	356.74	2.49	-113.38
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1NS(C)(=O)=O	REAL300000333775	0	36	-2.0	-109.94	350.65	1.50	-108.44
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1NS(C)(=O)=O	REAL300000333777	1	40	-2.0	-114.19	363.39	1.85	-112.34
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1NS(C)(=O)=O	REAL300000333778	1	36	-2.0	-109.86	348.39	1.52	-108.34
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(NS(C)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000333779	0	39	-2.0	-109.14	359.74	1.62	-107.52
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1NS(C)(=O)=O	REAL300000333780	0	36	-2.0	-103.95	349.73	1.61	-102.34
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1NS(C)(=O)=O	REAL300000333781	1	42	-2.0	-105.44	378.91	3.27	-102.17
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1NS(C)(=O)=O	REAL300000333785	0	38	-2.0	-111.56	354.45	0.54	-111.02
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000333786	1	44	-2.0	-105.69	382.12	7.36	-98.33
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000333787	1	44	-2.0	-95.74	377.56	7.34	-88.40
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000333788	1	44	-2.0	-108.35	377.58	7.33	-101.02
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCC(C)C)=C1	REAL300000333789	0	48	-2.0	-113.28	405.72	7.13	-106.15
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000333790	1	48	-2.0	-95.25	409.03	8.63	-86.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000333791	1	47	-2.0	-109.44	393.60	7.87	-101.57
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000333792	0	44	-2.0	-103.41	390.65	7.91	-95.50
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000333793	1	44	-2.0	-104.05	390.10	7.73	-96.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)=C1C	REAL300000333794	1	50	-2.0	-110.65	410.26	8.69	-101.96
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000333795	0	44	-2.0	-105.13	383.06	7.40	-97.73
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000333796	1	50	-2.0	-94.47	421.14	8.92	-85.55
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000333797	0	41	-2.0	-102.48	370.76	6.35	-96.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCC(C)C)=C1	REAL300000333798	1	47	-2.0	-108.55	393.01	8.12	-100.43
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000333799	1	48	-2.0	-94.05	408.66	7.62	-86.43
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000333800	0	45	-2.0	-106.68	384.23	6.69	-99.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)=C1	REAL300000333802	0	44	-2.0	-98.68	386.70	7.02	-91.66
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000333803	1	50	-2.0	-110.09	408.65	8.68	-101.41
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000333804	0	41	-2.0	-104.00	369.23	6.37	-97.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000333805	1	48	-2.0	-114.21	404.87	7.40	-106.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCC(C)C)=C1	REAL300000333806	1	50	-2.0	-106.73	407.73	9.05	-97.68
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000333807	0	44	-2.0	-101.71	380.59	6.48	-95.23
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)=C1	REAL300000333808	0	48	-2.0	-109.54	406.57	6.42	-103.12
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCC(C)C)=C1	REAL300000333809	1	47	-2.0	-99.21	398.29	8.15	-91.06
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000333810	0	44	-2.0	-105.03	386.18	7.22	-97.81
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000333811	0	44	-2.0	-93.34	390.63	7.89	-85.45
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000333812	1	44	-2.0	-95.21	382.10	7.37	-87.84
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000333813	0	41	-2.0	-97.43	369.85	6.46	-90.97
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000333814	1	44	-2.0	-99.13	383.99	7.39	-91.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)=C1F	REAL300000333815	0	47	-2.0	-106.64	403.34	8.04	-98.60
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000333816	0	44	-2.0	-95.22	383.04	7.40	-87.82
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000333817	1	44	-2.0	-93.32	390.08	7.74	-85.58
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000333818	1	44	-2.0	-97.31	388.40	7.43	-89.88
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000333819	0	45	-2.0	-107.20	387.29	5.05	-102.15
CC(C)CCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000333819	1	45	-2.0	-106.01	386.49	5.85	-100.16
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000333820	1	47	-2.0	-98.84	399.75	8.12	-90.72
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCCC(C)C)=C1	REAL300000333821	1	47	-2.0	-104.97	387.65	7.97	-97.00
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000333822	1	47	-2.0	-107.17	402.41	7.98	-99.19
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCCC(C)C)=C1	REAL300000333823	1	47	-2.0	-95.84	392.99	8.10	-87.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)=CC(C(=O)[O-])=C1C	REAL300000333824	1	50	-2.0	-112.87	414.38	8.50	-104.37
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000333825	0	44	-2.0	-96.85	389.34	7.46	-89.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)C(C)=C1C(=O)[O-]	REAL300000333826	1	50	-2.0	-109.15	412.06	8.72	-100.43
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000333827	0	47	-2.0	-107.39	402.90	8.03	-99.36
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)=C1	REAL300000333828	0	47	-2.0	-113.89	402.62	8.02	-105.87
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000333829	1	50	-2.0	-110.18	411.51	8.52	-101.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000333830	0	48	-2.0	-108.02	405.71	7.54	-100.48
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000333831	1	47	-2.0	-95.88	393.59	7.88	-88.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCC(C)C)=C1	REAL300000333832	1	47	-2.0	-105.82	397.53	8.16	-97.66
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000333833	0	44	-2.0	-113.09	381.19	7.36	-105.73
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000333834	1	47	-2.0	-101.04	402.52	8.01	-93.03
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000333835	0	43	-2.0	-105.98	373.79	5.46	-100.52
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCCC(C)C)=C1	REAL300000333836	0	48	-2.0	-99.98	405.78	7.14	-92.84
CC(C)CCOC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000333837	0	41	-2.0	-95.72	377.72	6.31	-89.41
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OCCC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000333838	0	47	-2.0	-101.51	399.71	7.33	-94.18
CC1=CC=C(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000333839	1	43	-2.0	-96.60	380.43	8.18	-88.42
CC1=CC=C(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000333840	1	43	-2.0	-109.12	380.40	8.15	-100.97
CC1=CC=C(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000333841	1	46	-2.0	-111.65	400.27	8.80	-102.85
CC1=CC=C(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000333842	0	40	-2.0	-103.50	369.14	7.17	-96.33
CC1=CC=C(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000333843	1	46	-2.0	-109.26	396.35	8.96	-100.30
CC1=CC=C(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000333844	0	44	-2.0	-107.28	387.08	7.51	-99.77
CC1=CC=C(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000333845	0	40	-2.0	-104.72	372.09	7.20	-97.52
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=C(C)C=C2)C=C(C(=O)[O-])O1	REAL300000333846	0	43	-2.0	-102.29	383.75	7.31	-94.98
CC1=CC=C(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000333847	0	40	-2.0	-98.78	372.78	7.30	-91.48
CC1=CC=C(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000333848	0	44	-2.0	-108.74	385.67	5.86	-102.88
CC1=CC=C(NC2=CC=CC=C2NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000333848	1	44	-2.0	-107.72	379.79	6.70	-101.02
CC1=CC=C(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000333849	1	46	-2.0	-100.74	402.74	8.93	-91.81
CC1=CC=C(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000333850	1	46	-2.0	-105.36	385.58	8.76	-96.60
CC1=CC=C(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000333851	1	46	-2.0	-96.46	391.37	8.93	-87.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=C(C)C=C2)C=C1C(=O)[O-]	REAL300000333852	0	47	-2.0	-108.62	408.41	8.38	-100.24
CC1=CC=C(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000333853	1	46	-2.0	-96.63	397.54	8.75	-87.88
CC1=CC=C(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000333854	0	42	-2.0	-108.11	376.74	6.28	-101.83
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000333855	0	37	-2.0	-84.31	342.30	-1.00	-85.31
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000333856	0	30	-2.0	-98.82	290.40	0.44	-98.38
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000333856	1	29	-3.0	-209.21	288.36	-0.47	-209.68
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000333857	0	38	-2.0	-100.55	345.47	1.52	-99.03
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000333858	0	34	-2.0	-106.04	313.99	0.22	-105.82
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000333859	0	30	-2.0	-96.34	302.11	0.90	-95.44
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000333859	1	29	-3.0	-208.87	300.08	-0.01	-208.88
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000333860	0	34	-2.0	-89.82	317.30	1.71	-88.11
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000333861	0	33	-2.0	-101.40	301.89	0.95	-100.45
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000333862	0	36	-2.0	-103.95	318.24	1.72	-102.23
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000333863	0	30	-2.0	-97.90	291.32	0.48	-97.42
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000333863	1	29	-3.0	-210.06	289.31	-0.44	-210.50
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000333864	0	36	-2.0	-88.88	329.41	2.00	-86.88
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000333865	0	33	-2.0	-102.30	301.28	1.19	-101.11
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000333866	0	34	-2.0	-88.41	316.91	0.70	-87.71
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000333867	0	41	-2.0	-85.06	362.69	1.47	-83.59
CCNC(=O)N[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000333868	0	27	-2.0	-92.94	296.06	0.19	-92.75
CCNC(=O)[N-][N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000333868	1	26	-3.0	-199.43	294.05	-0.73	-200.16
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000333869	0	34	-2.0	-102.83	310.05	-0.77	-103.60
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000333870	0	30	-2.0	-91.39	294.96	0.10	-91.29
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000333871	0	36	-2.0	-103.53	316.92	1.67	-101.86
CCNC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000333872	0	38	-2.0	-100.94	344.18	0.22	-100.72
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000333873	0	34	-2.0	-106.49	313.14	0.48	-106.01
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000333874	0	40	-2.0	-105.34	341.10	2.94	-102.40
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000333875	0	39	-2.0	-104.01	339.74	2.39	-101.62
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000333876	0	36	-2.0	-101.22	314.07	1.97	-99.25
CCNC(=O)N[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000333877	0	37	-2.0	-105.81	336.28	0.98	-104.83
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000333878	0	32	-3.0	-171.46	314.26	0.98	-170.48
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000333879	0	37	-2.0	-105.67	330.10	2.30	-103.37
CCNC(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000333880	0	36	-2.0	-105.23	328.01	0.18	-105.05
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000333881	0	34	-2.0	-100.47	314.75	-0.49	-100.96
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000333882	0	38	-2.0	-89.39	339.48	1.03	-88.36
CCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000333883	0	30	-2.0	-90.81	313.53	1.26	-89.55
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000333883	1	29	-3.0	-201.43	311.52	0.35	-201.08
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000333884	0	34	-2.0	-87.20	332.96	1.24	-85.96
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000333884	1	33	-3.0	-191.12	330.93	0.32	-190.80
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000333885	0	37	-2.0	-88.76	337.00	1.40	-87.36
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000333886	0	40	-2.0	-88.66	365.59	1.66	-87.00
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000333886	1	39	-3.0	-190.15	363.58	0.75	-189.40
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000333887	0	33	-2.0	-93.34	306.56	1.22	-92.12
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000333888	0	43	-2.0	-89.34	379.45	2.33	-87.01
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000333889	0	34	-2.0	-88.27	323.16	0.76	-87.51
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000333889	1	33	-3.0	-191.38	321.13	-0.15	-191.53
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000333890	0	40	-2.0	-88.25	375.40	2.15	-86.10
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000333890	1	39	-3.0	-190.41	373.39	1.24	-189.17
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000333891	0	37	-2.0	-107.04	334.99	1.39	-105.65
CCNC(=O)N[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000333892	0	30	-2.0	-99.02	294.44	0.32	-98.70
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000333893	0	30	-2.0	-91.08	314.06	1.43	-89.65
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000333893	1	29	-3.0	-199.26	312.05	0.49	-198.77
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000333894	0	30	-2.0	-87.07	298.90	0.97	-86.10
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000333894	1	29	-3.0	-193.09	296.88	0.04	-193.05
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000333895	0	30	-2.0	-86.78	302.25	1.10	-85.68
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000333895	1	29	-3.0	-191.91	300.23	0.18	-191.73
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000333896	0	30	-2.0	-89.18	290.37	0.45	-88.73
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000333896	1	29	-3.0	-194.10	288.36	-0.46	-194.56
CCNC(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000333897	0	30	-2.0	-91.98	292.27	0.48	-91.50
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000333897	1	29	-3.0	-202.86	290.24	-0.43	-203.29
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000333898	0	33	-2.0	-99.04	311.61	1.12	-97.92
CCNC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000333899	0	34	-2.0	-91.58	326.16	1.03	-90.55
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000333899	1	33	-3.0	-197.80	324.15	0.09	-197.71
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000333900	0	30	-2.0	-88.09	291.31	0.48	-87.61
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000333900	1	29	-3.0	-196.95	289.30	-0.43	-197.38
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333901	0	30	-2.0	-87.00	298.34	0.81	-86.19
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000333901	1	29	-3.0	-193.26	296.33	-0.10	-193.36
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000333902	0	33	-2.0	-94.89	315.29	1.61	-93.28
CCNC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000333903	0	33	-2.0	-90.44	316.67	1.64	-88.80
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000333904	0	38	-2.0	-87.12	349.59	1.82	-85.30
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000333905	0	30	-2.0	-86.54	302.08	0.91	-85.63
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000333905	1	29	-3.0	-193.21	300.06	-0.00	-193.21
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000333906	0	32	-2.0	-86.57	314.05	1.08	-85.49
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000333906	1	31	-3.0	-196.01	312.03	0.17	-195.84
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000333907	0	31	-2.0	-101.49	295.56	-1.86	-103.35
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000333907	1	30	-3.0	-188.31	292.00	-0.99	-189.30
CCNC(=O)N[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000333908	0	33	-2.0	-94.39	319.74	1.47	-92.92
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000333909	0	33	-2.0	-92.80	308.01	1.20	-91.60
CCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000333910	0	30	-2.0	-92.08	306.56	0.94	-91.14
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000333910	1	29	-3.0	-200.97	304.55	0.03	-200.94
CCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000333911	0	33	-2.0	-96.41	295.39	1.02	-95.39
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000333912	0	33	-2.0	-95.40	319.32	1.70	-93.70
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000333913	0	33	-2.0	-99.85	310.68	1.06	-98.79
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000333914	0	33	-2.0	-89.77	300.84	1.13	-88.64
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000333915	0	36	-2.0	-104.36	322.65	1.58	-102.78
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000333916	0	32	-2.0	-99.99	312.42	1.51	-98.48
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000333916	1	31	-3.0	-207.19	310.41	0.60	-206.59
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000333917	0	30	-2.0	-89.87	297.60	0.54	-89.33
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000333917	1	29	-3.0	-200.24	295.59	-0.37	-200.61
CCNC(=O)N[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000333918	0	27	-2.0	-88.02	298.43	0.08	-87.94
CCNC(=O)[N-][N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000333918	1	26	-3.0	-196.21	296.41	-0.84	-197.05
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000333919	0	36	-2.0	-100.46	319.23	1.74	-98.72
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000333920	0	33	-2.0	-98.81	307.32	1.01	-97.80
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000333921	0	33	-2.0	-98.59	317.61	1.55	-97.04
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000333922	0	33	-2.0	-103.91	310.88	1.10	-102.81
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Br	REAL300000333923	0	34	-2.0	-102.48	329.51	1.17	-101.31
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Br	REAL300000333923	1	33	-3.0	-210.95	327.50	0.25	-210.70
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000333924	0	36	-2.0	-102.01	320.13	1.60	-100.41
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000333925	0	30	-2.0	-94.12	306.78	1.13	-92.99
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000333925	1	29	-3.0	-199.34	304.77	0.21	-199.13
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000333926	0	37	-2.0	-102.16	336.32	0.54	-101.62
CCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000333927	0	33	-2.0	-90.04	312.11	1.53	-88.51
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000333928	0	33	-2.0	-86.18	315.96	1.22	-84.96
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000333928	1	32	-3.0	-191.79	313.95	0.31	-191.48
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000333929	0	33	-2.0	-98.35	317.07	1.37	-96.98
CCNC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000333930	0	30	-2.0	-93.66	307.15	1.03	-92.63
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000333930	1	29	-3.0	-205.90	305.12	0.11	-205.79
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300000333931	0	33	-2.0	-98.40	320.42	1.67	-96.73
CCNC(=O)N[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000333932	0	34	-2.0	-100.37	313.86	0.63	-99.74
CCNC(=O)N[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000333933	0	42	-2.0	-99.17	350.25	3.25	-95.92
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000333934	0	29	-3.0	-196.92	309.44	0.06	-196.86
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000333934	1	30	-2.0	-89.19	311.45	0.97	-88.22
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000333935	0	34	-2.0	-88.06	330.54	0.71	-87.35
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000333935	1	33	-3.0	-196.21	328.53	-0.20	-196.41
CCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000333936	0	33	-2.0	-94.00	315.72	1.38	-92.62
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000333937	0	34	-2.0	-102.70	326.17	1.04	-101.66
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000333937	1	33	-3.0	-212.18	324.16	0.11	-212.07
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000333938	0	33	-2.0	-89.18	301.86	0.96	-88.22
CCNC(=O)N[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1C	REAL300000333939	0	36	-2.0	-94.05	337.46	2.26	-91.79
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000333940	0	35	-2.0	-92.71	326.56	2.48	-90.23
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000333940	1	34	-3.0	-204.18	327.11	1.55	-202.63
CCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000333941	0	33	-2.0	-100.36	305.80	1.23	-99.13
CCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000333942	0	32	-2.0	-106.46	309.58	2.28	-104.18
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000333942	1	31	-3.0	-225.65	307.58	1.35	-224.30
CCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000333943	0	30	-2.0	-103.36	289.50	0.45	-102.91
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000333943	1	29	-3.0	-222.35	287.49	-0.47	-222.82
CCNC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000333944	0	33	-2.0	-92.47	307.02	0.98	-91.49
CCNC(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000333945	0	36	-2.0	-107.89	326.89	2.53	-105.36
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000333946	0	34	-2.0	-92.87	314.05	0.22	-92.65
CCNC(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000333947	0	27	-2.0	-89.43	285.99	-0.61	-90.04
CCNC(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000333947	1	26	-3.0	-194.71	283.98	-1.53	-196.24
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000333948	0	34	-2.0	-96.47	329.63	0.96	-95.51
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000333948	1	33	-3.0	-207.46	327.62	0.05	-207.41
CCNC(=O)N[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000333949	0	33	-2.0	-91.55	329.18	-2.55	-94.10
CCNC(=O)[N-][N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000333949	1	32	-3.0	-204.11	327.17	-3.46	-207.57
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000333950	0	37	-2.0	-94.29	329.83	2.24	-92.05
CCNC(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000333951	0	37	-2.0	-97.28	331.29	2.30	-94.98
CCNC(=O)N[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000333952	0	33	-2.0	-95.50	308.00	0.33	-95.17
CCNC(=O)[N-][N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000333952	1	32	-3.0	-201.19	305.95	-0.57	-201.76
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1	REAL300000333953	0	41	-2.0	-84.31	373.84	0.56	-83.75
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC=C1F	REAL300000333954	0	34	-2.0	-99.02	321.92	2.00	-97.02
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1CC1	REAL300000333955	0	42	-2.0	-100.61	377.01	3.08	-97.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1	REAL300000333956	0	34	-2.0	-89.46	317.38	1.98	-87.48
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC=C1	REAL300000333957	0	34	-2.0	-100.79	317.39	1.97	-98.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1CC1	REAL300000333958	0	38	-2.0	-106.16	345.53	1.78	-104.38
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC=C1Br	REAL300000333959	0	34	-2.0	-96.54	333.63	2.46	-94.08
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1	REAL300000333960	0	38	-2.0	-89.86	348.83	3.27	-86.59
CC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1C(=O)[O-]	REAL300000333961	0	37	-2.0	-101.70	333.43	2.51	-99.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1C	REAL300000333962	0	40	-2.0	-104.08	349.78	3.28	-100.80
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000333963	0	34	-2.0	-98.11	322.87	2.03	-96.08
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1	REAL300000333964	0	40	-2.0	-88.95	360.95	3.56	-85.39
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000333965	0	31	-2.0	-95.48	310.57	1.00	-94.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1CC1	REAL300000333966	0	37	-2.0	-102.37	332.82	2.75	-99.62
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1	REAL300000333967	0	38	-2.0	-88.46	348.45	2.26	-86.20
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]NC(=O)NCC3CC3)C=C2)C1	REAL300000333968	0	45	-2.0	-85.13	394.23	3.03	-82.10
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C(Br)S1	REAL300000333969	0	31	-2.0	-93.16	327.57	1.76	-91.40
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)=C(Br)S1	REAL300000333969	1	30	-3.0	-201.24	325.55	0.84	-200.40
CN1C=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1C(=O)[O-]	REAL300000333970	0	35	-2.0	-99.50	324.04	1.33	-98.17
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1CC1	REAL300000333971	0	38	-2.0	-102.91	341.59	0.79	-102.12
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000333972	0	34	-2.0	-91.65	326.51	1.66	-89.99
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1C(=O)[O-]	REAL300000333973	0	40	-2.0	-103.35	348.84	3.29	-100.06
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CS1	REAL300000333974	0	31	-2.0	-97.02	309.04	1.01	-96.01
COC1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC(C(=O)[O-])=C1OC	REAL300000333975	0	42	-2.0	-101.23	375.69	1.78	-99.45
COC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1C(=O)[O-]	REAL300000333976	0	38	-2.0	-106.73	344.68	2.04	-104.69
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000333977	0	44	-2.0	-105.44	372.64	4.50	-100.94
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1CC1	REAL300000333978	0	43	-2.0	-104.05	371.29	3.95	-100.10
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1CC1	REAL300000333979	0	40	-2.0	-101.29	345.61	3.52	-97.77
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1CC1	REAL300000333980	0	41	-2.0	-105.95	367.82	2.54	-103.41
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC(C(=O)[O-])=C1	REAL300000333981	0	36	-3.0	-172.35	345.80	2.54	-169.81
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000333982	0	41	-2.0	-105.77	361.63	3.86	-101.91
CC1=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C(C(=O)[O-])O1	REAL300000333983	0	34	-2.0	-95.67	320.39	1.12	-94.55
CC1=C(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)C=C(C(=O)[O-])O1	REAL300000333983	1	33	-3.0	-202.94	318.38	0.20	-202.74
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC2=C1OCCO2	REAL300000333984	0	40	-2.0	-105.40	359.56	1.74	-103.66
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000333985	0	38	-2.0	-101.08	346.29	1.07	-100.01
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)NCC3CC3)C=C2C1	REAL300000333986	0	42	-2.0	-88.76	370.30	2.58	-86.18
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC(Cl)=C1Cl	REAL300000333987	0	34	-2.0	-91.07	345.06	2.82	-88.25
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)=CC(Cl)=C1Cl	REAL300000333987	1	33	-3.0	-203.33	343.05	1.91	-201.42
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1Cl	REAL300000333988	0	38	-2.0	-87.25	364.48	2.80	-84.45
CC1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC=C1OCC(=O)[O-]	REAL300000333989	0	41	-2.0	-88.82	368.54	2.96	-85.86
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1F	REAL300000333990	0	44	-2.0	-88.67	397.14	3.22	-85.45
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1CC1	REAL300000333991	0	37	-2.0	-93.40	338.11	2.79	-90.61
CC1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC=C1OCCCC(=O)[O-]	REAL300000333992	0	47	-2.0	-89.35	410.99	3.89	-85.46
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1F	REAL300000333993	0	38	-2.0	-88.34	354.68	2.32	-86.02
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1C(=O)[O-]	REAL300000333994	0	41	-2.0	-107.38	366.52	2.95	-104.43
CC1=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C(C(=O)[O-])S1	REAL300000333995	0	34	-2.0	-99.16	325.99	1.87	-97.29
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000333996	0	34	-2.0	-91.21	345.61	2.99	-88.22
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)=C1	REAL300000333996	1	33	-3.0	-201.06	343.59	2.05	-199.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C(Cl)=C1	REAL300000333997	0	34	-2.0	-87.28	330.43	2.53	-84.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C(Br)=C1	REAL300000333998	0	34	-2.0	-86.94	333.78	2.65	-84.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1F	REAL300000333999	0	34	-2.0	-89.30	321.91	2.01	-87.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)S1	REAL300000334000	0	31	-2.0	-90.67	309.66	1.10	-89.57
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC(F)=C1	REAL300000334001	0	34	-2.0	-92.19	323.79	2.04	-90.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1F	REAL300000334002	0	37	-2.0	-99.25	343.15	2.68	-96.57
COC1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C(Cl)C=C1C(=O)[O-]	REAL300000334003	0	38	-2.0	-91.75	357.70	2.60	-89.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C(F)=C1	REAL300000334004	0	34	-2.0	-88.36	322.87	2.04	-86.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1Cl	REAL300000334005	0	34	-2.0	-87.12	329.88	2.37	-84.75
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1CC1	REAL300000334006	0	37	-2.0	-94.94	346.84	3.18	-91.76
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1	REAL300000334007	0	42	-2.0	-87.07	381.13	3.38	-83.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1Br	REAL300000334008	0	34	-2.0	-86.62	333.62	2.47	-84.15
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000334009	0	36	-2.0	-86.81	345.57	2.64	-84.17
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)=C1	REAL300000334009	1	35	-3.0	-197.59	343.56	1.73	-195.86
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000334010	0	35	-2.0	-101.51	327.10	-0.30	-101.81
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000334010	1	34	-3.0	-189.70	323.54	0.57	-189.13
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1	REAL300000334011	0	37	-2.0	-92.83	339.55	2.76	-90.07
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC(Cl)=C1F	REAL300000334012	0	34	-2.0	-92.36	338.09	2.50	-89.86
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)=CC(Cl)=C1F	REAL300000334012	1	33	-3.0	-202.73	336.08	1.59	-201.14
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)NCC1CC1	REAL300000334013	0	37	-2.0	-96.72	327.46	2.60	-94.12
CC1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC(C(=O)[O-])=C1F	REAL300000334014	0	37	-2.0	-100.13	342.24	2.62	-97.51
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)NCC1CC1	REAL300000334015	0	37	-2.0	-89.84	332.80	2.74	-87.10
CC1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC(C(=O)[O-])=C1C	REAL300000334016	0	40	-2.0	-104.75	354.19	3.14	-101.61
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC=C1[N+](=O)[O-]	REAL300000334017	0	36	-2.0	-100.22	343.96	3.07	-97.15
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)=CC=C1[N+](=O)[O-]	REAL300000334017	1	35	-3.0	-208.81	341.95	2.16	-206.65
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000334018	0	34	-2.0	-90.12	329.14	2.10	-88.02
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)=C1	REAL300000334018	1	33	-3.0	-202.00	327.13	1.18	-200.82
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)S1	REAL300000334019	0	31	-2.0	-88.12	329.97	1.64	-86.48
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)S1	REAL300000334019	1	30	-3.0	-197.93	327.95	0.72	-197.21
CC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C(C)=C1C(=O)[O-]	REAL300000334020	0	40	-2.0	-100.78	351.86	3.36	-97.42
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1C(=O)[O-]	REAL300000334021	0	37	-2.0	-99.00	338.86	2.57	-96.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1Cl	REAL300000334022	0	37	-2.0	-98.80	349.15	3.10	-95.70
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000334023	0	37	-2.0	-104.51	342.40	2.66	-101.85
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1C(=O)[O-]	REAL300000334024	0	40	-2.0	-102.26	351.61	3.16	-99.10
COC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1CC(=O)[O-]	REAL300000334025	0	41	-2.0	-102.96	367.85	2.10	-100.86
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)NCC1CC1	REAL300000334026	0	37	-2.0	-90.50	343.65	3.08	-87.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1C(F)(F)F	REAL300000334027	0	37	-2.0	-86.34	347.50	2.79	-83.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)C=C1C(F)(F)F	REAL300000334027	1	36	-3.0	-193.43	345.48	1.87	-191.56
CC1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC(C(=O)[O-])=C1Cl	REAL300000334028	0	37	-2.0	-98.57	348.63	2.93	-95.64
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC(Br)=C1	REAL300000334029	0	34	-2.0	-93.91	338.68	2.58	-91.33
CCN1C=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1C(=O)[O-]	REAL300000334030	0	38	-2.0	-100.64	345.41	2.19	-98.45
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C(C)=C1CC(=O)[O-]	REAL300000334031	0	46	-2.0	-100.32	382.53	4.85	-95.47
O=C([O-])C1=C(F)C(Cl)=C(F)C(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)=C1	REAL300000334032	0	33	-3.0	-198.74	340.95	1.61	-197.13
O=C([O-])C1=C(F)C(Cl)=C(F)C(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000334032	1	34	-2.0	-89.29	342.97	2.53	-86.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C(OC(F)(F)F)=C1	REAL300000334033	0	38	-2.0	-88.25	362.11	2.26	-85.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)C(OC(F)(F)F)=C1	REAL300000334033	1	37	-3.0	-197.96	360.10	1.35	-196.61
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1C(=O)[O-]	REAL300000334034	0	37	-2.0	-95.42	351.13	3.04	-92.38
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1C(=O)[O-]	REAL300000334035	0	38	-2.0	-102.87	357.71	2.60	-100.27
CC1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC=C1C(=O)[O-]	REAL300000334036	0	37	-2.0	-89.35	333.39	2.52	-86.83
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C([N+](=O)[O-])=C1	REAL300000334037	0	39	-2.0	-93.59	360.66	4.04	-89.55
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)C([N+](=O)[O-])=C1	REAL300000334037	1	38	-3.0	-205.74	358.65	3.11	-202.63
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC1CC1	REAL300000334038	0	37	-2.0	-100.33	337.34	2.79	-97.54
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC=C1	REAL300000334039	0	36	-2.0	-107.05	341.11	3.84	-103.21
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)=CC=C1	REAL300000334039	1	35	-3.0	-227.44	339.10	2.91	-224.53
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC=C1	REAL300000334040	0	34	-2.0	-103.94	321.00	2.00	-101.94
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C1C(=O)[O-]	REAL300000334041	0	37	-2.0	-93.72	342.32	2.65	-91.07
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC2=CC=CC=C21	REAL300000334042	0	40	-2.0	-108.28	358.43	4.10	-104.18
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000334043	0	33	-2.0	-98.35	314.37	0.03	-98.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)NCC1CC1	REAL300000334044	0	38	-2.0	-93.05	345.59	1.78	-91.27
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C(Cl)O1	REAL300000334045	0	31	-2.0	-89.64	317.53	0.95	-88.69
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)=C(Cl)O1	REAL300000334045	1	30	-3.0	-196.48	315.52	0.03	-196.45
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=CC=C1OC(F)(F)F	REAL300000334046	0	38	-2.0	-96.71	361.18	2.52	-94.19
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)=CC=C1OC(F)(F)F	REAL300000334046	1	37	-3.0	-209.24	359.16	1.61	-207.63
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)NCC2CC2)=C1	REAL300000334047	0	37	-2.0	-91.86	360.73	-0.99	-92.85
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)=C1	REAL300000334047	1	36	-3.0	-205.97	358.71	-1.90	-207.87
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)NCC3CC3)C=C2)CC1	REAL300000334048	0	41	-2.0	-95.90	363.51	3.86	-92.04
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)NCC3CC3)C=C2C1	REAL300000334049	0	41	-2.0	-97.62	362.83	3.86	-93.76
CCC1=C(S(=O)(=O)[N-]NC(=O)NCC2CC2)C=C(C(=O)[O-])O1	REAL300000334050	0	37	-2.0	-95.64	339.51	1.90	-93.74
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CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCCC1=CC=CS1	REAL300000334064	0	41	-2.0	-103.22	381.69	2.10	-101.12
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)=C1	REAL300000334065	0	37	-2.0	-92.28	366.60	2.97	-89.31
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)C=C1C(=O)[O-]	REAL300000334066	0	43	-2.0	-103.56	388.94	4.60	-98.96
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COC1=CC=C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)C=C1C(=O)[O-]	REAL300000334068	0	41	-2.0	-107.48	384.77	3.35	-104.13
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCCC1=CC=CS1	REAL300000334069	0	43	-2.0	-101.55	385.71	4.84	-96.71
CC1=C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)C=C(C(=O)[O-])O1	REAL300000334070	0	37	-2.0	-96.17	360.49	2.43	-93.74
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)=C1	REAL300000334071	0	41	-2.0	-102.23	386.47	2.38	-99.85
CC1=C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)C=C(C(=O)[O-])S1	REAL300000334072	0	37	-2.0	-99.48	366.08	3.18	-96.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)C=C1F	REAL300000334073	0	37	-2.0	-89.95	362.01	3.32	-86.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)S1	REAL300000334074	0	34	-2.0	-91.35	349.75	2.41	-88.94
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)=CC(F)=C1	REAL300000334075	0	37	-2.0	-92.56	363.89	3.35	-89.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)C(F)=C1	REAL300000334076	0	37	-2.0	-88.97	362.95	3.35	-85.62
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)=C1	REAL300000334077	0	38	-2.0	-101.87	367.20	1.01	-100.86
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)=C1	REAL300000334077	1	37	-3.0	-189.80	363.63	1.89	-187.91
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CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)NCCC1=CC=CS1	REAL300000334079	0	40	-2.0	-97.41	367.55	3.92	-93.49
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)NCCC1=CC=CS1	REAL300000334080	0	40	-2.0	-90.47	372.89	4.05	-86.42
CC1=CC(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)=CC(C(=O)[O-])=C1C	REAL300000334081	0	43	-2.0	-105.31	394.28	4.45	-100.86
CC1=CC=C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)C(C)=C1C(=O)[O-]	REAL300000334082	0	43	-2.0	-101.56	390.87	4.61	-96.95
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)C=C1C(=O)[O-]	REAL300000334083	0	43	-2.0	-102.40	391.42	4.47	-97.93
CCN1C=C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)C=C1C(=O)[O-]	REAL300000334084	0	41	-2.0	-100.93	385.50	3.50	-97.43
CC1=CC(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)=CC=C1C(=O)[O-]	REAL300000334085	0	40	-2.0	-89.97	373.49	3.83	-86.14
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)=CC=C1	REAL300000334086	0	37	-2.0	-104.48	361.14	3.32	-101.16
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COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)NCCC1=CC=CS1	REAL300000334088	0	41	-2.0	-93.54	385.69	3.09	-90.45
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O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NCCC2=CC=CS2)=C(Cl)O1	REAL300000334089	1	33	-3.0	-196.61	355.62	1.35	-195.26
CCC1=C(S(=O)(=O)[N-]NC(=O)NCCC2=CC=CS2)C=C(C(=O)[O-])O1	REAL300000334090	0	40	-2.0	-96.03	379.60	3.21	-92.82
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000334091	0	44	-2.0	-85.04	397.47	-1.18	-86.22
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000334092	0	37	-2.0	-99.72	345.57	0.27	-99.45
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000334093	0	45	-2.0	-101.04	400.64	1.35	-99.69
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000334094	0	37	-2.0	-90.33	341.00	0.25	-90.08
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000334095	0	37	-2.0	-101.45	341.02	0.24	-101.21
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000334096	0	41	-2.0	-106.58	369.16	0.05	-106.53
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000334097	0	41	-2.0	-90.64	372.47	1.53	-89.11
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000334098	0	40	-2.0	-102.33	357.06	0.77	-101.56
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000334099	0	43	-2.0	-104.53	373.41	1.54	-102.99
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000334100	0	37	-2.0	-98.51	346.49	0.30	-98.21
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000334101	0	43	-2.0	-89.60	384.58	1.83	-87.77
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000334102	0	34	-2.0	-96.23	334.20	-0.74	-96.97
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000334103	0	40	-2.0	-102.84	356.45	1.02	-101.82
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000334104	0	41	-2.0	-89.25	372.09	0.52	-88.73
COCCCNC(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000334105	0	38	-2.0	-100.16	347.67	-0.41	-100.57
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000334106	0	41	-2.0	-103.51	365.22	-0.95	-104.46
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000334107	0	37	-2.0	-92.43	350.13	-0.08	-92.51
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000334108	0	43	-2.0	-103.99	372.09	1.49	-102.50
COCCCNC(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000334109	0	34	-2.0	-97.71	332.67	-0.72	-98.43
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000334110	0	45	-2.0	-101.99	399.35	0.05	-101.94
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000334111	0	41	-2.0	-107.36	368.31	0.31	-107.05
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000334112	0	47	-2.0	-105.84	396.25	2.78	-103.06
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000334113	0	46	-2.0	-104.50	394.92	2.22	-102.28
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCCCOC	REAL300000334114	0	43	-2.0	-101.71	369.24	1.80	-99.91
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000334115	0	44	-2.0	-106.00	391.45	0.81	-105.19
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000334116	0	39	-3.0	-173.51	369.43	0.80	-172.71
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000334117	0	44	-2.0	-106.12	385.27	2.13	-103.99
COCCCNC(=O)N[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000334118	0	37	-2.0	-96.45	344.02	-0.62	-97.07
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000334119	0	43	-2.0	-106.14	383.19	0.01	-106.13
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000334120	0	41	-2.0	-101.86	369.92	-0.66	-102.52
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000334121	0	45	-2.0	-90.18	394.65	0.86	-89.32
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000334122	0	41	-2.0	-88.11	388.13	1.06	-87.05
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000334123	0	44	-2.0	-89.60	392.17	1.23	-88.37
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000334124	0	40	-2.0	-94.07	361.73	1.05	-93.02
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000334125	0	41	-2.0	-89.11	378.33	0.59	-88.52
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)NCCCOC)C=C1C(=O)[O-]	REAL300000334126	0	44	-2.0	-107.92	390.16	1.21	-106.71
COCCCNC(=O)N[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000334127	0	37	-2.0	-99.74	349.62	0.15	-99.59
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000334128	0	37	-2.0	-88.18	354.07	0.80	-87.38
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000334129	0	37	-2.0	-90.28	345.54	0.28	-90.00
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000334130	0	34	-2.0	-91.49	333.29	-0.63	-92.12
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000334131	0	37	-2.0	-93.04	347.44	0.30	-92.74
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000334132	0	40	-2.0	-99.62	366.77	0.94	-98.68
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000334133	0	41	-2.0	-92.67	381.33	0.85	-91.82
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000334134	0	37	-2.0	-89.26	346.48	0.31	-88.95
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000334135	0	37	-2.0	-88.10	353.51	0.64	-87.46
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000334136	0	40	-2.0	-95.64	370.46	1.43	-94.21
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000334137	0	45	-2.0	-87.79	404.76	1.65	-86.14
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000334138	0	39	-2.0	-87.59	369.22	0.91	-86.68
COCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000334138	1	38	-3.0	-195.22	367.21	-0.01	-195.23
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000334139	0	38	-2.0	-101.96	350.73	-2.04	-104.00
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000334139	1	37	-3.0	-190.07	347.17	-1.16	-191.23
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000334140	0	40	-2.0	-93.35	363.18	1.02	-92.33
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000334141	0	37	-2.0	-93.04	361.73	0.77	-92.27
COCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000334141	1	36	-3.0	-200.41	359.72	-0.14	-200.55
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000334142	0	40	-2.0	-97.62	351.08	0.87	-96.75
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000334143	0	40	-2.0	-100.84	365.85	0.89	-99.95
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000334144	0	40	-2.0	-90.87	356.02	0.95	-89.92
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000334145	0	43	-2.0	-105.29	377.82	1.41	-103.88
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000334146	0	39	-2.0	-101.17	367.59	1.34	-99.83
COCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000334146	1	38	-3.0	-206.37	365.58	0.42	-205.95
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000334147	0	37	-2.0	-90.66	352.77	0.36	-90.30
COCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000334147	1	36	-3.0	-199.71	350.76	-0.55	-200.26
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000334148	0	43	-2.0	-101.97	374.40	1.56	-100.41
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000334149	0	40	-2.0	-99.36	362.49	0.84	-98.52
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000334150	0	40	-2.0	-99.21	372.78	1.37	-97.84
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000334151	0	40	-2.0	-105.22	366.05	0.93	-104.29
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)NCCCOC)C=C1C(=O)[O-]	REAL300000334152	0	43	-2.0	-102.87	375.30	1.43	-101.44
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000334153	0	44	-2.0	-103.61	391.49	0.37	-103.24
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000334154	0	40	-2.0	-91.40	367.28	1.36	-90.04
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000334155	0	40	-2.0	-87.31	371.13	1.04	-86.27
COCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000334155	1	39	-3.0	-191.04	369.12	0.14	-190.90
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000334156	0	40	-2.0	-99.21	372.24	1.20	-98.01
CCN1C=C(S(=O)(=O)[N-]NC(=O)NCCCOC)C=C1C(=O)[O-]	REAL300000334157	0	41	-2.0	-101.37	369.03	0.45	-100.92
COCCCNC(=O)N[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000334158	0	49	-2.0	-100.98	405.42	3.07	-97.91
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000334159	0	40	-2.0	-94.95	370.90	1.21	-93.74
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000334160	0	41	-2.0	-103.29	381.34	0.86	-102.43
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000334161	0	40	-2.0	-90.27	357.03	0.78	-89.49
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000334162	0	42	-2.0	-94.12	381.74	2.31	-91.81
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000334163	0	40	-2.0	-100.97	360.97	1.05	-99.92
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000334164	0	39	-2.0	-107.76	364.75	2.11	-105.65
COCCCNC(=O)[N-][N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000334164	1	38	-3.0	-224.71	362.75	1.17	-223.54
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000334165	0	37	-2.0	-104.67	344.67	0.27	-104.40
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000334166	0	40	-2.0	-93.39	362.20	0.81	-92.58
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000334167	0	43	-2.0	-108.86	382.06	2.36	-106.50
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000334168	0	36	-2.0	-98.72	338.00	-1.71	-100.43
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000334169	0	41	-2.0	-93.85	369.22	0.05	-93.80
COCCCNC(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000334170	0	34	-2.0	-90.43	341.16	-0.79	-91.22
COCCCNC(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000334170	1	33	-3.0	-194.28	339.15	-1.70	-195.98
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000334171	0	44	-2.0	-95.45	385.00	2.07	-93.38
COCCCNC(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000334172	0	44	-2.0	-98.88	386.46	2.13	-96.75
CCC1=C(S(=O)(=O)[N-]NC(=O)NCCCOC)C=C(C(=O)[O-])O1	REAL300000334173	0	40	-2.0	-96.33	363.17	0.16	-96.17
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000334176	1	35	-2.0	-104.40	328.41	6.35	-98.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300000334177	0	39	-2.0	-109.18	355.54	5.99	-103.19
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000334180	0	35	-2.0	-99.73	340.46	6.76	-92.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=CC=C1Cl	REAL300000334181	1	35	-2.0	-100.44	340.91	6.75	-93.69
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000334183	0	35	-2.0	-101.05	332.87	6.25	-94.80
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C1	REAL300000334184	1	41	-2.0	-91.91	371.98	7.94	-83.97
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000334185	0	32	-2.0	-98.12	320.58	5.20	-92.92
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C1C(=O)[O-]	REAL300000334188	1	36	-2.0	-103.01	335.05	5.72	-97.29
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000334190	0	35	-2.0	-94.29	336.51	5.87	-88.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=CS1	REAL300000334192	1	32	-2.0	-100.45	320.06	5.40	-95.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000334195	0	35	-2.0	-98.23	330.40	5.32	-92.91
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000334196	0	39	-2.0	-104.75	356.38	5.28	-99.47
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300000334197	1	38	-2.0	-95.90	348.10	7.01	-88.89
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000334198	1	35	-2.0	-101.70	335.99	6.09	-95.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C(Cl)=C1	REAL300000334199	1	35	-2.0	-89.42	340.44	6.75	-82.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C1F	REAL300000334200	1	35	-2.0	-92.72	332.93	6.40	-86.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)S1	REAL300000334201	0	32	-2.0	-93.23	319.67	5.32	-87.91
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000334202	1	35	-2.0	-93.83	333.80	6.26	-87.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1F	REAL300000334203	0	38	-2.0	-102.28	353.17	6.89	-95.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C(F)=C1	REAL300000334204	0	35	-2.0	-90.85	332.86	6.26	-84.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=CC(F)=C1F	REAL300000334206	1	35	-2.0	-92.38	338.21	6.28	-86.10
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000334207	0	36	-2.0	-104.25	337.11	3.89	-100.36
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000334207	1	36	-2.0	-105.63	336.21	4.77	-100.86
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C1	REAL300000334208	1	38	-2.0	-97.19	350.59	7.14	-90.05
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000334213	0	35	-2.0	-92.70	339.15	6.31	-86.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C1C(=O)[O-]	REAL300000334215	0	38	-2.0	-103.25	352.71	6.89	-96.36
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000334216	0	38	-2.0	-107.85	352.43	6.88	-100.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C1C(=O)[O-]	REAL300000334218	1	39	-2.0	-104.22	356.43	6.58	-97.64
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1F	REAL300000334221	0	35	-2.0	-107.21	331.06	6.22	-100.99
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C1C(=O)[O-]	REAL300000334222	1	38	-2.0	-97.40	353.35	7.04	-90.36
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C1	REAL300000334223	0	34	-2.0	-101.14	324.38	4.24	-96.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300000334224	0	39	-2.0	-95.71	355.60	5.98	-89.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)=C(Cl)O1	REAL300000334225	0	32	-2.0	-91.98	327.54	5.16	-86.82
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000334226	0	38	-2.0	-98.24	349.53	6.17	-92.07
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000334227	0	45	-2.0	-84.97	394.00	3.57	-81.40
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000334228	0	38	-2.0	-100.50	342.08	5.00	-95.50
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(C)(C)C)N=C1	REAL300000334229	0	46	-2.0	-102.10	397.17	6.07	-96.03
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000334230	0	38	-2.0	-90.66	337.52	4.99	-85.67
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000334231	0	38	-2.0	-102.74	337.54	4.97	-97.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(C)(C)C)N=C1	REAL300000334232	0	42	-2.0	-108.25	365.69	4.77	-103.48
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000334233	0	42	-2.0	-90.70	368.99	6.27	-84.43
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000334234	0	41	-2.0	-104.98	357.61	5.61	-99.37
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000334235	0	38	-2.0	-98.83	350.61	5.54	-93.29
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000334236	0	38	-2.0	-98.73	350.05	5.36	-93.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)=C1C	REAL300000334237	0	44	-2.0	-105.86	369.94	6.29	-99.57
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000334238	0	38	-2.0	-99.95	343.02	5.03	-94.92
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000334239	0	44	-2.0	-89.92	381.11	6.57	-83.35
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000334240	0	35	-2.0	-97.03	330.73	3.98	-93.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(C)(C)C)N=C1	REAL300000334241	0	41	-2.0	-104.14	352.98	5.76	-98.38
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000334242	0	42	-2.0	-89.40	368.61	5.26	-84.14
CN1C=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000334243	0	39	-2.0	-101.10	344.19	4.32	-96.78
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(C)(C)C)N=C1	REAL300000334244	0	42	-2.0	-104.62	361.75	3.79	-100.83
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)=C1	REAL300000334245	0	38	-2.0	-93.24	346.66	4.65	-88.59
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000334246	0	44	-2.0	-105.26	369.00	6.30	-98.96
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000334247	0	35	-2.0	-98.58	329.19	3.99	-94.59
COC1=CC(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000334248	0	46	-2.0	-102.98	395.85	4.78	-98.20
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000334249	0	42	-2.0	-108.54	364.84	5.04	-103.50
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000334250	0	48	-2.0	-107.62	392.78	7.60	-100.02
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(C)(C)C)N=C1	REAL300000334251	0	47	-2.0	-106.22	391.44	6.99	-99.23
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(C)(C)C)N=C1	REAL300000334252	0	44	-2.0	-102.92	367.69	6.70	-96.22
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(C)(C)C)N=C1	REAL300000334253	0	45	-2.0	-108.42	387.97	5.52	-102.90
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000334254	0	40	-3.0	-175.89	365.96	5.54	-170.35
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000334255	0	45	-2.0	-107.86	381.79	6.86	-101.00
CC1=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000334256	0	38	-2.0	-97.15	340.55	4.11	-93.04
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000334257	0	44	-2.0	-107.33	379.71	4.74	-102.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)=C1	REAL300000334258	0	42	-2.0	-103.41	366.45	4.07	-99.34
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000334259	0	46	-2.0	-90.68	391.18	5.59	-85.09
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000334260	0	38	-2.0	-95.78	355.14	5.56	-90.22
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000334261	0	42	-2.0	-88.18	384.64	5.79	-82.39
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000334262	0	45	-2.0	-89.89	388.70	5.96	-83.93
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(C)(C)C)N=C1	REAL300000334263	0	41	-2.0	-94.82	358.25	5.79	-89.03
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000334264	0	42	-2.0	-89.15	374.84	5.32	-83.83
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000334265	0	45	-2.0	-109.10	386.68	5.94	-103.16
CC1=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000334266	0	38	-2.0	-100.66	346.15	4.87	-95.79
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000334267	0	38	-2.0	-88.58	350.59	5.54	-83.04
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000334268	0	38	-2.0	-90.45	342.06	5.01	-85.44
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000334269	0	35	-2.0	-92.18	329.82	4.09	-88.09
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000334270	0	38	-2.0	-93.69	343.95	5.03	-88.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)=C1F	REAL300000334271	0	41	-2.0	-101.19	363.30	5.67	-95.52
COC1=CC(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000334272	0	42	-2.0	-93.16	377.85	5.60	-87.56
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000334273	0	38	-2.0	-89.91	343.00	5.05	-84.86
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000334274	0	38	-2.0	-88.41	350.03	5.37	-83.04
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(C)(C)C)N=C1	REAL300000334275	0	41	-2.0	-96.48	366.99	6.18	-90.30
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000334276	0	46	-2.0	-87.76	401.28	6.39	-81.37
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000334277	0	38	-2.0	-92.23	348.36	5.07	-87.16
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000334278	0	40	-2.0	-88.10	365.73	5.64	-82.46
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000334279	0	39	-2.0	-103.26	347.26	2.69	-100.57
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000334280	0	41	-2.0	-94.13	359.71	5.76	-88.37
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000334281	0	38	-2.0	-93.56	358.25	5.50	-88.06
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C(C(C)(C)C)N=C1	REAL300000334282	0	41	-2.0	-98.89	347.61	5.61	-93.28
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000334283	0	41	-2.0	-101.68	362.38	5.62	-96.06
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C(C)(C)C)N=C1	REAL300000334284	0	41	-2.0	-91.22	352.95	5.74	-85.48
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000334285	0	44	-2.0	-106.77	374.34	6.14	-100.63
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000334286	0	40	-2.0	-101.67	364.10	6.06	-95.61
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000334287	0	38	-2.0	-91.68	349.30	5.09	-86.59
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000334288	0	44	-2.0	-103.25	370.93	6.38	-96.87
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000334289	0	41	-2.0	-100.92	359.02	5.57	-95.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)=C1Cl	REAL300000334290	0	41	-2.0	-100.43	369.30	6.11	-94.32
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)=C1	REAL300000334291	0	41	-2.0	-106.96	362.55	5.66	-101.30
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000334292	0	44	-2.0	-104.32	371.48	6.16	-98.16
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C1CC(=O)[O-]	REAL300000334293	0	45	-2.0	-104.70	388.01	5.10	-99.60
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN=C(C(C)(C)C)N=C1	REAL300000334294	0	41	-2.0	-92.33	363.81	6.16	-86.17
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000334295	0	41	-2.0	-100.33	368.77	5.95	-94.38
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000334296	0	42	-2.0	-102.32	365.56	5.19	-97.13
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000334297	0	50	-2.0	-102.77	401.95	7.80	-94.97
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000334298	0	41	-2.0	-97.10	371.29	6.04	-91.06
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000334299	0	47	-2.0	-100.83	386.98	7.09	-93.74
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000334300	0	42	-2.0	-104.38	377.86	5.60	-98.78
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000334301	0	41	-2.0	-90.78	353.55	5.51	-85.27
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000334302	0	43	-2.0	-95.45	380.82	7.16	-88.29
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(C)(C)C)N=C1	REAL300000334303	0	41	-2.0	-101.79	357.50	5.79	-96.00
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000334304	0	40	-2.0	-109.72	361.28	6.83	-102.89
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000334305	0	38	-2.0	-106.37	341.21	5.01	-101.36
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000334306	0	41	-2.0	-95.33	362.48	5.65	-89.68
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000334307	0	44	-2.0	-110.62	378.59	7.09	-103.53
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000334308	0	37	-2.0	-100.03	334.53	3.04	-96.99
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C(C)(C)C)N=C1	REAL300000334309	0	42	-2.0	-94.82	365.74	4.77	-90.05
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000334310	0	35	-2.0	-90.93	337.69	3.94	-86.99
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000334311	0	45	-2.0	-97.23	383.67	6.87	-90.36
CC(C)(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000334312	0	45	-2.0	-100.15	382.98	6.86	-93.29
CCC1=C(S(=O)(=O)[N-]C2=CN=C(C(C)(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000334313	0	41	-2.0	-97.09	359.67	4.96	-92.13
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000334314	1	35	-2.0	-111.61	340.08	4.55	-107.06
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300000334315	1	35	-2.0	-100.84	335.53	4.53	-96.31
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000334316	1	35	-2.0	-112.58	335.55	4.52	-108.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(NC(C)=O)=C1	REAL300000334317	0	39	-2.0	-117.57	363.97	4.32	-113.25
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000334318	1	39	-2.0	-100.10	367.29	5.81	-94.29
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000334319	1	38	-2.0	-115.51	355.31	5.16	-110.35
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1Cl	REAL300000334320	1	41	-2.0	-114.38	368.24	5.83	-108.55
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1Cl	REAL300000334321	0	35	-2.0	-109.71	341.32	4.58	-105.13
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000334322	1	41	-2.0	-99.69	379.12	6.11	-93.58
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000334323	0	32	-2.0	-107.13	329.02	3.53	-103.60
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1Cl	REAL300000334324	1	38	-2.0	-112.51	351.27	5.29	-107.22
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000334326	0	36	-2.0	-111.26	342.19	3.87	-107.39
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000334328	0	35	-2.0	-104.11	344.67	4.20	-99.91
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000334330	0	32	-2.0	-109.89	327.48	3.55	-106.34
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(NC(C)=O)=C1	REAL300000334332	1	41	-2.0	-110.55	365.97	6.23	-104.32
CC(=O)NC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000334333	0	35	-2.0	-105.95	338.56	3.66	-102.29
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000334334	0	39	-2.0	-115.60	364.81	3.62	-111.98
CC(=O)NC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000334335	0	35	-2.0	-109.11	344.15	4.41	-104.70
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000334336	1	35	-2.0	-100.25	340.36	4.55	-95.70
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000334337	0	32	-2.0	-102.84	328.11	3.64	-99.20
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000334338	1	35	-2.0	-103.64	341.95	4.59	-99.05
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1Cl	REAL300000334339	0	35	-2.0	-100.61	341.01	4.60	-96.01
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Cl	REAL300000334340	0	36	-2.0	-111.28	345.54	2.23	-109.05
CC(=O)NC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Cl	REAL300000334340	1	36	-2.0	-111.31	334.57	3.12	-108.19
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000334341	1	38	-2.0	-105.93	357.72	5.31	-100.62
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000334342	1	38	-2.0	-111.20	345.31	5.15	-106.05
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000334344	1	41	-2.0	-117.46	369.11	5.61	-111.85
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(NC(C)=O)=C2)C=C1C(=O)[O-]	REAL300000334346	1	41	-2.0	-116.24	369.37	5.71	-110.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(NC(C)=O)=C2)C=C1C(=O)[O-]	REAL300000334347	0	39	-2.0	-112.66	363.86	4.74	-107.92
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Cl	REAL300000334348	1	38	-2.0	-100.95	351.27	5.06	-95.89
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000334349	0	35	-2.0	-119.55	339.46	4.54	-115.01
CC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000334350	0	34	-2.0	-109.60	332.82	2.57	-107.03
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(NC(C)=O)=C1	REAL300000334351	0	39	-2.0	-105.11	364.03	4.31	-100.80
CC(=O)NC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000334352	0	32	-2.0	-100.50	335.99	3.49	-97.01
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COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1F	REAL300000334466	1	38	-2.0	-126.99	344.75	6.83	-120.16
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CCOC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1C	REAL300000334468	1	44	-2.0	-131.12	380.48	8.43	-122.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1C(N)=O	REAL300000334469	1	41	-2.0	-125.19	359.63	4.91	-120.28
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=N1	REAL300000334470	0	34	-2.0	-127.12	313.59	5.18	-121.94
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CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334474	1	37	-2.0	-126.17	341.26	8.75	-117.42
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1	REAL300000334475	1	47	-2.0	-129.25	401.99	9.19	-120.06
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CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334478	0	36	-3.0	-198.67	346.64	7.71	-190.96
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CC1=CC(C)=C(S(=O)(=O)NC2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000334481	0	43	-2.0	-100.82	365.14	9.28	-91.54
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CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1F	REAL300000334486	1	37	-2.0	-128.97	335.76	8.17	-120.80
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CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300000334495	1	42	-2.0	-133.80	359.15	8.85	-124.95
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COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])S1	REAL300000334503	0	37	-2.0	-123.58	356.91	7.22	-116.36
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CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000334506	0	36	-3.0	-197.98	340.51	7.18	-190.80
CC1=C(S(=O)(=O)NC2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000334506	1	37	-2.0	-101.18	338.24	6.72	-94.46
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CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334508	0	44	-2.0	-141.88	380.57	8.85	-133.03
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COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334513	0	37	-2.0	-129.60	357.09	7.14	-122.46
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CN1C=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334516	0	34	-2.0	-143.15	313.23	6.55	-136.60
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])C=C12	REAL300000334518	1	42	-2.0	-125.41	375.36	7.20	-118.21
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])C=C12	REAL300000334519	0	38	-2.0	-119.53	348.80	4.44	-115.09
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COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(F)=C1	REAL300000334522	0	38	-2.0	-135.21	347.04	7.05	-128.16
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CC1=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=CN1C	REAL300000334524	0	37	-2.0	-145.27	333.59	6.39	-138.88
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CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334526	1	43	-2.0	-135.06	385.70	9.04	-126.02
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=N1	REAL300000334527	0	37	-2.0	-127.60	335.12	6.04	-121.56
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334528	1	41	-2.0	-134.31	364.11	7.18	-127.13
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CC1CC2=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])=CC=C2O1	REAL300000334532	1	42	-2.0	-131.28	365.96	8.07	-123.21
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CC1=C(S(=O)(=O)NC2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000334550	1	37	-2.0	-103.70	344.67	7.47	-96.23
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1C	REAL300000334551	1	43	-2.0	-134.60	373.37	8.79	-125.81
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CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=CN=C1Cl	REAL300000334553	0	36	-2.0	-121.81	339.69	6.69	-115.12
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CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])SC=C1	REAL300000334558	0	34	-2.0	-131.25	317.27	7.28	-123.97
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COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1C	REAL300000334560	1	43	-2.0	-126.62	379.84	8.66	-117.96
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CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=CC=C1C	REAL300000334566	1	44	-2.0	-154.87	383.93	7.26	-147.61
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334567	0	38	-2.0	-133.39	346.69	7.93	-125.46
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334568	1	38	-2.0	-120.73	345.29	8.63	-112.10
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CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])S1	REAL300000334595	0	36	-2.0	-128.39	334.27	6.05	-122.34
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CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])O1	REAL300000334609	0	40	-2.0	-125.24	370.45	7.19	-118.05
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COC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])SC=C1	REAL300000334613	0	35	-2.0	-138.22	331.21	5.76	-132.46
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300000334614	0	40	-2.0	-134.05	365.79	8.58	-125.47
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CC1=NC2=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])C=CC=C2C=C1	REAL300000334616	0	42	-2.0	-152.83	370.56	8.72	-144.11
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334617	0	36	-2.0	-135.85	342.29	6.22	-129.63
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COC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=CC(OC)=C1	REAL300000334620	0	42	-2.0	-136.04	368.03	6.07	-129.97
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NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334622	0	35	-2.0	-119.65	331.26	5.30	-114.35
CC1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])S1	REAL300000334623	0	33	-2.0	-127.16	317.57	5.30	-121.86
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334624	0	40	-2.0	-120.79	344.23	8.64	-112.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334624	1	39	-3.0	-211.73	347.54	8.66	-203.07
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334626	0	40	-2.0	-102.01	349.01	8.74	-93.27
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334626	1	39	-3.0	-193.16	352.92	8.80	-184.36
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CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000334636	1	42	-3.0	-216.98	371.98	9.42	-207.56
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334637	1	42	-2.0	-143.22	372.13	8.73	-134.49
COCCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=N1	REAL300000334638	0	41	-2.0	-125.39	368.80	5.09	-120.30
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000334639	0	39	-2.0	-137.24	359.36	8.30	-128.94
CCC1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000334640	0	43	-2.0	-104.28	369.93	9.16	-95.12
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000334640	1	42	-3.0	-214.99	371.83	9.21	-205.78
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1C#N	REAL300000334642	0	38	-2.0	-141.33	346.31	8.26	-133.07
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])S1	REAL300000334643	0	43	-2.0	-132.68	382.04	9.12	-123.56
CCCN1C=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334644	0	40	-2.0	-142.78	356.53	8.21	-134.57
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000334645	0	42	-2.0	-125.93	367.10	5.22	-120.71
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1F	REAL300000334646	0	37	-2.0	-139.40	334.84	8.17	-131.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=N1	REAL300000334647	0	40	-2.0	-123.91	358.08	5.09	-118.82
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000334648	0	41	-2.0	-147.07	354.99	7.50	-139.57
COCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1	REAL300000334649	1	41	-2.0	-131.62	364.11	7.19	-124.43
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334650	0	39	-2.0	-131.38	348.30	4.46	-126.92
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1Cl	REAL300000334651	0	37	-2.0	-133.32	340.92	8.61	-124.71
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C(C)O1	REAL300000334653	0	37	-2.0	-128.33	332.00	7.06	-121.27
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300000334654	0	40	-2.0	-137.60	355.29	5.13	-132.47
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000334655	1	42	-2.0	-132.25	362.74	8.09	-124.16
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334656	1	41	-2.0	-130.99	355.64	7.51	-123.48
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1	REAL300000334657	1	44	-2.0	-130.09	378.31	8.31	-121.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])O1	REAL300000334658	0	34	-2.0	-131.72	313.64	6.28	-125.44
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334659	0	37	-2.0	-133.01	341.25	7.83	-125.18
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000334660	1	37	-2.0	-128.18	335.10	6.12	-122.06
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000334661	0	42	-2.0	-150.40	362.67	9.24	-141.16
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000334662	0	40	-2.0	-135.91	358.32	9.48	-126.43
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000334663	0	36	-2.0	-114.88	341.77	8.16	-106.72
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000334664	0	34	-2.0	-121.49	332.18	8.05	-113.44
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C(C)O1	REAL300000334665	0	40	-2.0	-122.29	366.88	7.04	-115.25
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000334666	0	33	-2.0	-121.23	320.79	6.16	-115.07
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])N=C1C	REAL300000334667	0	40	-2.0	-142.70	354.66	7.25	-135.45
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334668	0	37	-2.0	-132.47	343.59	8.69	-123.78
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000334669	0	40	-3.0	-210.61	365.45	8.23	-202.38
CCN1C=C(S(=O)(=O)NC2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000334669	1	41	-2.0	-106.39	365.42	8.26	-98.13
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334670	0	37	-2.0	-129.22	348.93	6.21	-123.01
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334671	0	46	-2.0	-131.16	388.52	8.03	-123.13
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000334672	0	34	-2.0	-135.86	325.10	8.26	-127.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(Cl)=N1	REAL300000334673	0	36	-2.0	-129.94	338.94	6.78	-123.16
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334674	0	39	-2.0	-128.02	358.08	7.66	-120.36
CCC1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])S1	REAL300000334675	0	36	-2.0	-127.00	339.05	6.05	-120.95
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])C=C12	REAL300000334676	0	41	-2.0	-119.00	370.28	5.17	-113.83
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])S1	REAL300000334677	0	36	-2.0	-124.71	347.17	7.80	-116.91
COC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=CN=C1Cl	REAL300000334678	0	37	-2.0	-119.51	349.89	5.42	-114.09
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000334679	0	36	-2.0	-118.57	343.77	6.70	-111.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C)=C1F	REAL300000334680	1	41	-2.0	-127.08	358.71	7.60	-119.48
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(Cl)=C1	REAL300000334681	0	35	-2.0	-120.91	342.93	8.42	-112.49
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000334682	0	37	-2.0	-142.83	336.97	7.78	-135.05
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334683	0	39	-2.0	-126.95	359.00	6.32	-120.63
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000334684	0	31	-2.0	-124.82	313.42	6.19	-118.63
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300000334685	0	34	-2.0	-127.54	330.12	7.88	-119.66
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334689	0	34	-2.0	-124.04	338.03	7.69	-116.35
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000334690	1	37	-2.0	-132.51	341.23	8.33	-124.18
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000334691	0	37	-2.0	-126.87	348.12	6.33	-120.54
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334692	0	38	-2.0	-137.49	345.13	8.52	-128.97
COC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=CC=C1F	REAL300000334693	1	38	-2.0	-123.31	344.76	6.84	-116.47
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000334694	0	33	-2.0	-137.76	321.74	7.86	-129.90
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000334695	0	31	-2.0	-129.92	291.72	5.46	-124.46
CN1N=NC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334696	0	33	-2.0	-116.03	302.46	3.93	-112.10
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])=CN=C21	REAL300000334697	1	39	-2.0	-125.09	353.41	6.60	-118.49
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000334698	0	33	-2.0	-119.53	330.21	7.24	-112.29
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000334700	0	38	-2.0	-136.90	337.17	6.91	-129.99
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334701	0	35	-2.0	-123.74	342.96	8.42	-115.32
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000334702	0	37	-2.0	-125.34	353.00	6.54	-118.80
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334703	1	40	-2.0	-125.47	334.63	8.99	-116.48
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300000334705	0	38	-2.0	-147.27	347.43	7.55	-139.72
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334706	0	47	-2.0	-130.19	399.23	8.93	-121.26
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])C=CC=C12	REAL300000334707	0	42	-2.0	-150.74	366.93	8.66	-142.08
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000334709	0	35	-2.0	-138.97	333.82	5.78	-133.19
COC1=CN=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334710	0	37	-2.0	-128.02	333.62	4.94	-123.08
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC3=CC=CC=C3C=C1C(=O)[O-])OCO2	REAL300000334712	1	40	-2.0	-126.22	350.53	6.90	-119.32
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1	REAL300000334714	1	44	-2.0	-131.33	380.06	7.32	-124.01
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])S1	REAL300000334716	0	37	-2.0	-134.45	354.02	4.96	-129.49
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])S1	REAL300000334716	1	36	-3.0	-205.59	350.70	3.83	-201.76
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334717	1	38	-2.0	-134.66	333.46	8.78	-125.88
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334718	1	38	-2.0	-134.76	351.30	8.63	-126.13
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000334719	0	34	-2.0	-123.27	338.90	8.53	-114.74
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(N)=NO1	REAL300000334721	0	35	-2.0	-120.09	316.58	4.84	-115.25
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334722	0	38	-2.0	-133.77	354.03	7.77	-126.00
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000334723	0	35	-2.0	-124.89	336.55	6.25	-118.64
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334726	1	41	-2.0	-132.76	354.01	7.53	-125.23
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])S1	REAL300000334728	0	32	-2.0	-119.43	321.56	7.01	-112.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=N1	REAL300000334729	0	36	-2.0	-128.70	325.65	6.29	-122.41
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000334730	0	39	-2.0	-132.58	350.22	7.83	-124.75
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=CC=C1C#N	REAL300000334731	1	38	-2.0	-122.02	349.03	8.35	-113.67
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000334732	0	33	-2.0	-114.57	326.78	6.15	-108.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(F)=C1	REAL300000334734	0	38	-2.0	-134.51	344.02	6.82	-127.69
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000334736	1	37	-2.0	-129.49	341.23	8.33	-121.16
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])N(C)N=C1	REAL300000334738	0	37	-2.0	-123.86	325.91	5.93	-117.93
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])O1	REAL300000334740	0	32	-2.0	-120.93	312.97	6.01	-114.92
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000334741	0	31	-2.0	-127.26	300.15	6.39	-120.87
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000334742	0	31	-2.0	-127.49	291.58	5.36	-122.13
CC1=CC(S(=O)(=O)NC2=CC3=CC=CC=C3C=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000334743	0	40	-2.0	-103.89	351.38	8.51	-95.38
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000334743	1	39	-3.0	-195.02	353.51	8.56	-186.46
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CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334747	0	45	-2.0	-127.34	387.65	8.62	-118.72
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CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])=C2O1	REAL300000334749	0	45	-2.0	-146.97	386.76	8.70	-138.27
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CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334751	1	41	-2.0	-135.15	360.39	7.69	-127.46
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CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334753	1	40	-2.0	-160.09	353.44	5.05	-155.04
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])C=C2C=C1	REAL300000334754	1	43	-2.0	-136.56	376.34	10.40	-126.16
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CC1=CSC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334756	0	34	-2.0	-130.25	322.61	7.13	-123.12
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CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334759	0	43	-2.0	-126.02	373.57	6.53	-119.49
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=N1	REAL300000334760	0	43	-2.0	-124.81	378.21	6.02	-118.79
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CC1=NSC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334763	0	33	-2.0	-122.90	317.53	5.76	-117.14
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CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C(F)(F)F)=N1	REAL300000334768	0	37	-2.0	-129.74	347.68	6.31	-123.43
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000334769	1	43	-2.0	-131.03	373.88	9.07	-121.96
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CS(C)(=O)=NS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334773	1	34	-2.0	-157.74	314.39	3.40	-154.34
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000334774	0	31	-2.0	-131.61	290.66	4.06	-127.55
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000334775	0	39	-2.0	-136.38	346.03	4.40	-131.98
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])S1	REAL300000334776	0	37	-2.0	-133.01	339.16	8.10	-124.91
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COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334779	1	43	-2.0	-137.78	385.99	8.90	-128.88
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=NN1C	REAL300000334783	0	37	-2.0	-126.54	329.71	5.70	-120.84
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1	REAL300000334784	1	38	-2.0	-132.99	340.13	8.56	-124.43
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334785	0	37	-2.0	-128.52	332.42	5.82	-122.70
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COC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=CC=C1Cl	REAL300000334794	1	38	-2.0	-124.35	354.56	7.32	-117.03
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])S1	REAL300000334795	0	38	-2.0	-139.70	360.63	4.11	-135.59
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O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000334798	0	36	-2.0	-143.77	340.24	6.88	-136.89
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CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334802	0	37	-2.0	-132.00	336.17	8.98	-123.02
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000334803	0	39	-2.0	-144.01	345.35	7.30	-136.71
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(F)=C1	REAL300000334809	0	37	-2.0	-139.91	338.95	8.43	-131.48
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000334810	0	33	-2.0	-121.11	334.08	6.66	-114.45
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])=CC=C21	REAL300000334811	1	39	-2.0	-129.88	352.90	5.93	-123.95
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334813	0	38	-2.0	-133.66	343.71	7.31	-126.35
COC1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1Cl	REAL300000334815	0	37	-2.0	-120.02	352.30	4.69	-115.33
CC1=NOC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334816	0	33	-2.0	-119.54	305.99	5.42	-114.12
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=CC=C1Cl	REAL300000334817	1	37	-2.0	-125.71	344.52	8.56	-117.15
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000334818	1	40	-2.0	-141.98	357.16	8.46	-133.52
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000334819	0	36	-2.0	-138.41	343.63	8.65	-129.76
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334820	1	39	-2.0	-149.29	349.63	3.37	-145.92
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000334821	0	33	-2.0	-134.88	309.54	5.64	-129.24
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000334824	0	33	-2.0	-119.06	310.46	5.62	-113.44
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O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000334829	1	34	-2.0	-120.74	331.63	8.03	-112.71
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000334830	0	43	-2.0	-141.97	370.77	7.83	-134.14
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000334831	0	42	-2.0	-142.84	361.24	8.68	-134.16
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334837	1	41	-2.0	-143.36	364.97	4.90	-138.46
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(=O)NC1=O	REAL300000334838	1	37	-2.0	-134.48	337.45	4.16	-130.32
CC(C)OC1(CS(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])CCOC1	REAL300000334839	1	48	-2.0	-129.58	384.94	6.51	-123.07
CC1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])N1C	REAL300000334841	0	37	-2.0	-128.97	328.41	6.44	-122.53
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334842	1	47	-2.0	-135.87	399.07	9.12	-126.75
CCC1=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=CN1CC1CC1	REAL300000334845	0	47	-2.0	-146.94	407.91	9.41	-137.53
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])O1	REAL300000334846	0	40	-2.0	-126.06	366.48	6.84	-119.22
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CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334848	0	37	-2.0	-116.07	350.65	6.09	-109.98
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CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(F)=C1F	REAL300000334851	0	37	-2.0	-136.08	341.13	8.24	-127.84
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=N1	REAL300000334853	0	36	-2.0	-144.46	337.40	6.36	-138.10
CCCCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C)=N1	REAL300000334854	0	46	-2.0	-128.35	396.96	8.23	-120.12
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334855	0	35	-3.0	-209.81	333.72	6.16	-203.65
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334856	0	38	-2.0	-125.46	337.81	7.45	-118.01
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CN1N=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1C(F)(F)F	REAL300000334858	0	37	-2.0	-123.41	342.19	6.10	-117.31
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O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000334859	1	36	-2.0	-143.51	332.21	6.66	-136.85
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300000334860	0	38	-2.0	-141.22	342.79	7.44	-133.78
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334861	0	44	-2.0	-129.56	370.05	7.58	-121.98
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C(C)(C)C)=N1	REAL300000334862	0	46	-2.0	-125.18	374.24	8.00	-117.18
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CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334865	0	37	-2.0	-120.75	343.33	6.37	-114.38
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000334867	0	35	-2.0	-124.52	325.23	5.22	-119.30
O=C([O-])C1=CC2=CC=CC=C2C=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000334867	1	35	-2.0	-109.74	319.09	6.07	-103.67
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1	REAL300000334868	1	44	-2.0	-131.71	386.24	10.24	-121.47
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334869	0	40	-2.0	-125.28	348.01	6.52	-118.76
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1F	REAL300000334870	0	39	-2.0	-129.34	354.05	7.94	-121.40
NC1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=N1	REAL300000334871	0	34	-2.0	-122.07	314.24	4.82	-117.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C#N)=C1	REAL300000334872	0	38	-2.0	-138.72	348.54	8.41	-130.31
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334873	0	38	-2.0	-137.27	340.80	8.71	-128.56
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000334874	1	37	-2.0	-124.44	345.72	8.36	-116.08
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1	REAL300000334876	1	41	-2.0	-134.31	372.79	9.42	-124.89
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334877	1	40	-2.0	-124.31	355.89	9.65	-114.66
COC1=NSC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334878	0	34	-2.0	-119.74	328.29	3.27	-116.47
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000334880	0	30	-2.0	-122.12	295.78	5.16	-116.96
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000334883	0	38	-2.0	-126.03	348.55	3.09	-122.94
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334884	1	43	-2.0	-125.01	356.14	9.76	-115.25
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000334885	0	34	-2.0	-127.96	324.40	7.51	-120.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C(Cl)O1	REAL300000334887	0	33	-3.0	-192.36	337.61	7.01	-185.35
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000334888	0	39	-2.0	-142.47	345.29	7.97	-134.50
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334889	0	41	-2.0	-132.16	370.45	7.68	-124.48
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1F	REAL300000334890	0	35	-2.0	-133.97	334.84	7.89	-126.08
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])N=N1	REAL300000334891	0	33	-2.0	-132.20	307.84	3.80	-128.40
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000334892	0	41	-2.0	-129.03	358.94	7.15	-121.88
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000334893	0	41	-2.0	-126.77	356.33	7.36	-119.41
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000334894	0	44	-2.0	-126.75	378.45	8.07	-118.68
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000334895	1	40	-2.0	-128.00	359.77	4.70	-123.30
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000334896	0	31	-2.0	-128.66	310.80	6.15	-122.51
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1F	REAL300000334897	1	38	-2.0	-119.63	354.92	7.01	-112.62
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000334898	0	41	-2.0	-135.08	353.43	7.49	-127.59
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1F	REAL300000334899	0	38	-2.0	-127.98	350.27	6.90	-121.08
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334900	0	37	-2.0	-127.91	333.78	8.14	-119.77
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])=C2O1	REAL300000334901	0	42	-2.0	-145.17	366.29	8.05	-137.12
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])S1	REAL300000334902	0	42	-2.0	-128.94	377.72	7.14	-121.80
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])C=C2)CC1	REAL300000334903	1	42	-2.0	-132.12	377.28	9.67	-122.45
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334904	0	38	-2.0	-135.24	345.52	8.13	-127.11
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000334905	0	31	-2.0	-126.72	314.47	6.91	-119.81
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000334906	0	36	-2.0	-119.84	342.94	6.63	-113.21
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334907	0	39	-2.0	-147.32	349.73	7.08	-140.24
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334908	0	36	-2.0	-117.37	322.97	4.81	-112.56
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000334910	1	35	-2.0	-118.30	323.92	6.26	-112.04
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000334911	0	37	-2.0	-135.23	347.88	8.90	-126.33
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334912	0	41	-2.0	-125.45	359.97	7.25	-118.20
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C)=C1F	REAL300000334913	1	43	-2.0	-128.79	364.95	9.84	-118.95
COC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1OC	REAL300000334914	0	42	-2.0	-131.55	360.80	7.22	-124.33
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C21	REAL300000334915	0	37	-2.0	-135.39	338.81	7.76	-127.63
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C2CCCC2)=N1	REAL300000334916	0	47	-2.0	-134.60	397.84	8.37	-126.23
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000334917	0	41	-2.0	-131.38	364.31	7.40	-123.98
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300000334918	1	38	-2.0	-131.03	348.28	7.05	-123.98
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000334919	0	37	-2.0	-140.81	338.48	6.68	-134.13
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])C=CC=C21	REAL300000334920	0	39	-2.0	-152.01	353.59	5.87	-146.14
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])=C21	REAL300000334921	0	41	-2.0	-129.79	346.87	9.37	-120.42
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=CN=C1N	REAL300000334922	1	38	-2.0	-130.92	337.05	5.17	-125.75
COC1=NSC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334923	0	34	-2.0	-127.95	326.33	3.35	-124.60
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])N=CN1	REAL300000334924	0	34	-2.0	-142.74	307.98	5.54	-137.20
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000334926	0	37	-2.0	-128.73	342.75	7.85	-120.88
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C2CCC2)=N1	REAL300000334927	0	44	-2.0	-133.36	380.56	7.87	-125.49
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000334928	0	31	-2.0	-126.31	314.88	7.00	-119.31
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000334929	0	44	-2.0	-129.73	383.02	8.12	-121.61
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000334930	0	38	-2.0	-136.32	347.19	8.58	-127.74
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334931	1	43	-2.0	-134.40	373.43	9.67	-124.73
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334932	0	40	-2.0	-121.94	365.32	5.81	-116.13
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334933	0	35	-2.0	-132.10	333.55	7.82	-124.28
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334934	0	41	-2.0	-130.30	354.73	6.99	-123.31
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334936	1	40	-2.0	-131.26	338.82	9.15	-122.11
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334937	0	43	-2.0	-122.26	356.08	7.38	-114.88
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=N1	REAL300000334938	0	43	-2.0	-129.63	373.54	7.19	-122.44
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000334939	0	41	-2.0	-129.41	357.59	6.55	-122.86
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=N1	REAL300000334940	0	45	-2.0	-129.28	383.32	8.28	-121.00
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000334941	1	37	-2.0	-130.62	337.05	8.28	-122.34
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334942	0	37	-2.0	-124.09	331.22	5.68	-118.41
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1C	REAL300000334944	1	40	-2.0	-132.61	341.54	8.78	-123.83
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000334945	0	37	-2.0	-138.37	328.54	8.74	-129.63
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334946	1	45	-2.0	-142.48	393.62	9.49	-132.99
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1	REAL300000334948	1	43	-2.0	-131.79	387.47	9.11	-122.68
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1Cl	REAL300000334949	0	35	-2.0	-128.44	341.67	8.32	-120.12
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000334950	1	41	-2.0	-134.76	358.26	9.57	-125.19
COC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=CS1	REAL300000334951	0	35	-2.0	-135.00	331.30	5.91	-129.09
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000334952	0	41	-2.0	-136.84	363.76	9.63	-127.21
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000334953	0	44	-2.0	-127.72	373.86	8.08	-119.64
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334954	0	43	-2.0	-126.06	368.97	7.37	-118.69
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1	REAL300000334955	1	43	-2.0	-137.10	380.25	4.98	-132.12
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C=C3C(=O)[O-])C2=N1	REAL300000334957	0	39	-2.0	-142.97	352.64	5.82	-137.15
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])O1	REAL300000334958	0	37	-2.0	-131.90	335.12	7.07	-124.83
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000334959	0	34	-2.0	-122.82	332.90	6.69	-116.13
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334960	0	38	-2.0	-124.70	349.99	7.39	-117.31
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334961	1	40	-2.0	-132.59	362.26	8.99	-123.60
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000334962	1	38	-2.0	-131.28	348.30	7.04	-124.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])S1	REAL300000334963	0	35	-2.0	-127.75	332.84	5.92	-121.83
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000334964	0	37	-2.0	-123.93	341.72	6.17	-117.76
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334965	1	44	-2.0	-134.39	385.96	8.15	-126.24
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000334966	0	47	-2.0	-129.06	395.43	8.42	-120.64
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000334967	1	37	-2.0	-134.39	330.68	8.39	-126.00
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000334968	0	37	-2.0	-135.78	334.54	7.87	-127.91
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000334969	1	36	-2.0	-133.63	339.99	6.86	-126.77
CCN1N=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=N1	REAL300000334970	0	36	-2.0	-129.20	329.90	4.32	-124.88
CCN1N=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1Cl	REAL300000334971	0	37	-2.0	-123.74	350.71	6.41	-117.33
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CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000334973	1	43	-2.0	-143.52	367.81	10.32	-133.20
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CC1=COC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334980	0	34	-2.0	-130.72	313.63	6.14	-124.58
COC1=CSC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1OC	REAL300000334981	0	39	-2.0	-129.37	362.04	5.48	-123.89
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CN1N=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1Cl	REAL300000334985	0	34	-2.0	-123.02	328.93	5.53	-117.49
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334986	0	40	-2.0	-141.94	345.40	9.27	-132.67
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CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334988	0	36	-2.0	-118.61	336.79	6.86	-111.75
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CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C2=NSN=C2C=C1	REAL300000334991	0	38	-2.0	-136.07	347.28	6.81	-129.26
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CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000334994	0	47	-2.0	-129.34	395.73	8.68	-120.66
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000334995	0	31	-2.0	-125.69	307.82	5.98	-119.71
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000334996	0	31	-2.0	-123.84	317.85	6.98	-116.86
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000334997	0	42	-2.0	-127.15	361.33	5.21	-121.94
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000334998	1	41	-2.0	-134.47	352.60	9.63	-124.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C)=N1	REAL300000335001	1	40	-2.0	-123.08	351.89	4.91	-118.17
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000335002	0	40	-2.0	-136.41	356.46	5.29	-131.12
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000335003	0	37	-2.0	-128.56	351.76	5.13	-123.43
COC1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1C	REAL300000335004	0	40	-2.0	-125.36	356.36	4.88	-120.48
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=N1	REAL300000335005	0	43	-2.0	-127.47	372.00	7.61	-119.86
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000335006	0	43	-2.0	-129.64	372.65	7.19	-122.45
N#CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=CO1	REAL300000335007	0	32	-2.0	-130.37	312.02	5.87	-124.50
N#CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])SC=C1	REAL300000335008	0	32	-2.0	-131.82	318.53	6.84	-124.98
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300000335009	0	40	-2.0	-125.32	350.77	6.74	-118.58
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000335010	0	37	-2.0	-134.83	350.90	9.27	-125.56
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000335011	0	41	-2.0	-124.05	361.26	7.61	-116.44
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000335012	0	41	-2.0	-132.79	360.99	8.69	-124.10
COC1=NOC(CS(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000335013	1	37	-2.0	-121.19	340.13	3.81	-117.38
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=NN1C(C)C	REAL300000335014	0	43	-2.0	-127.93	372.13	7.27	-120.66
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000335015	0	36	-2.0	-126.39	336.39	6.49	-119.90
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000335017	1	35	-2.0	-132.95	320.06	4.61	-128.34
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000335018	0	37	-2.0	-141.32	348.71	8.46	-132.86
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000335019	0	30	-2.0	-119.60	294.70	5.07	-114.53
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CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C2=NC=CC=C12	REAL300000335021	0	42	-2.0	-151.24	366.77	8.63	-142.61
CCC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000335022	0	39	-3.0	-194.99	355.70	7.92	-187.07
CCC1=C(S(=O)(=O)NC2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000335022	1	40	-2.0	-100.67	355.95	7.55	-93.12
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000335023	0	47	-2.0	-143.70	398.50	9.46	-134.24
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C(Cl)S1	REAL300000335024	0	34	-2.0	-121.34	334.32	7.86	-113.48
O=C([O-])C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000335025	0	30	-2.0	-125.21	295.62	4.59	-120.62
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CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300000335027	0	37	-2.0	-138.29	335.96	8.19	-130.10
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335028	1	37	-2.0	-119.76	350.11	7.17	-112.59
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335029	1	34	-2.0	-122.45	334.68	6.39	-116.06
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N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335036	1	29	-2.0	-109.86	300.71	6.12	-103.74
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O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Br	REAL300000335038	0	28	-2.0	-117.96	296.38	6.43	-111.53
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1NC(C)=O	REAL300000335039	1	39	-2.0	-135.66	363.67	4.05	-131.61
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300000335040	1	32	-2.0	-110.76	325.88	5.53	-105.23
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1F	REAL300000335041	0	31	-2.0	-96.20	310.97	6.26	-89.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1F	REAL300000335041	1	30	-3.0	-191.10	312.88	6.32	-184.78
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000335043	1	37	-2.0	-119.94	342.72	5.67	-114.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000335044	1	33	-2.0	-116.97	324.09	6.93	-110.04
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COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335051	0	36	-2.0	-126.75	337.63	4.81	-121.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1OC	REAL300000335052	1	36	-2.0	-117.84	338.61	4.94	-112.90
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CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335060	1	31	-2.0	-120.41	301.30	6.40	-114.01
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CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335064	1	33	-2.0	-117.37	320.36	6.13	-111.24
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335065	1	34	-2.0	-119.43	316.79	7.17	-112.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C	REAL300000335066	1	34	-2.0	-121.76	318.31	6.94	-114.82
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CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335068	1	33	-2.0	-129.10	320.38	6.12	-122.98
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335070	1	37	-2.0	-113.16	356.53	7.32	-105.84
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COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000335072	1	34	-2.0	-115.72	335.41	6.48	-109.24
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335073	1	40	-2.0	-119.59	356.11	8.06	-111.53
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335074	1	37	-2.0	-119.33	340.13	7.66	-111.67
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335075	1	40	-2.0	-118.88	358.57	8.32	-110.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335076	0	34	-3.0	-196.58	336.49	6.09	-190.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335076	1	35	-2.0	-113.97	333.73	6.02	-107.95
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335077	0	35	-2.0	-98.60	337.89	7.52	-91.08
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335077	1	34	-3.0	-176.96	339.81	7.59	-169.37
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000335078	0	25	-2.0	-110.82	288.87	5.35	-105.47
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335079	1	37	-2.0	-118.77	344.29	7.95	-110.82
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335080	0	32	-2.0	-125.71	308.15	5.52	-120.19
CC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335081	0	34	-2.0	-96.09	322.41	6.76	-89.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335081	1	33	-3.0	-197.22	324.37	6.83	-190.39
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335082	0	39	-2.0	-127.60	364.22	4.41	-123.19
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000335083	0	28	-2.0	-114.43	297.95	5.92	-108.51
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000335084	1	28	-2.0	-109.88	313.36	6.76	-103.12
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000335085	0	28	-2.0	-119.30	293.02	6.30	-113.00
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1	REAL300000335086	1	28	-2.0	-115.38	301.18	6.36	-109.02
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000335087	0	30	-2.0	-115.35	308.11	6.40	-108.95
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335088	1	33	-2.0	-111.95	323.60	7.17	-104.78
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300000335089	0	30	-2.0	-108.99	320.56	6.78	-102.21
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000335090	0	25	-2.0	-116.86	271.82	4.74	-112.12
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000335092	0	30	-2.0	-131.50	300.98	7.15	-124.35
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335093	1	31	-2.0	-119.81	301.31	6.41	-113.40
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000335095	0	28	-2.0	-115.03	291.78	5.86	-109.17
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000335096	1	28	-2.0	-115.55	286.29	5.80	-109.75
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000335097	0	28	-2.0	-109.04	292.71	5.87	-103.17
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1C	REAL300000335098	1	40	-2.0	-120.98	343.40	8.42	-112.56
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000335099	1	34	-2.0	-120.03	324.37	4.89	-115.14
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335101	1	43	-2.0	-120.90	371.59	8.83	-112.07
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000335102	1	28	-2.0	-112.09	296.63	6.25	-105.84
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1	REAL300000335103	1	28	-2.0	-112.02	301.19	6.36	-105.66
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000335104	0	30	-2.0	-106.04	308.12	6.40	-99.64
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000335105	1	28	-2.0	-119.44	279.88	5.73	-113.71
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335106	1	35	-2.0	-124.05	336.27	4.61	-119.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335107	0	28	-2.0	-118.46	293.71	5.53	-112.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])=C1C	REAL300000335108	0	37	-2.0	-94.01	337.48	7.53	-86.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1C	REAL300000335108	1	36	-3.0	-192.80	341.02	7.64	-185.16
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335109	0	32	-2.0	-118.19	324.87	6.05	-112.14
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335110	0	30	-3.0	-189.00	313.83	6.35	-182.65
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300000335111	0	25	-2.0	-108.57	302.73	5.89	-102.68
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335112	1	43	-2.0	-118.59	383.35	9.24	-109.35
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335113	1	33	-2.0	-115.33	318.13	7.01	-108.32
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000335114	0	28	-2.0	-117.72	291.80	5.86	-111.86
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335115	0	37	-2.0	-95.03	350.09	7.81	-87.22
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335115	1	36	-3.0	-175.88	351.93	7.88	-168.00
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335116	1	38	-2.0	-123.71	356.57	5.44	-118.27
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000335117	1	32	-2.0	-113.30	315.63	2.55	-110.75
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335118	1	32	-2.0	-117.09	320.09	6.76	-110.33
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000335119	1	33	-2.0	-114.77	321.91	4.18	-110.59
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000335120	1	36	-2.0	-115.79	339.72	4.92	-110.87
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1OCC	REAL300000335121	1	42	-2.0	-118.30	382.32	6.78	-111.52
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335123	0	27	-3.0	-187.92	301.53	5.32	-182.60
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000335124	1	31	-2.0	-112.81	311.64	3.24	-109.57
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335125	0	34	-2.0	-93.26	321.00	7.04	-86.22
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335125	1	33	-3.0	-190.20	323.79	7.08	-183.12
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335126	0	34	-2.0	-117.82	316.58	4.76	-113.06
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1C	REAL300000335127	1	36	-2.0	-112.47	340.88	7.76	-104.71
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335128	1	34	-2.0	-113.57	334.67	6.40	-107.17
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335129	1	35	-2.0	-117.92	336.33	4.01	-113.91
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335130	0	33	-2.0	-119.99	334.07	0.69	-119.30
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300000335131	1	39	-2.0	-127.04	357.69	6.85	-120.19
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335132	1	32	-2.0	-117.64	314.40	2.51	-115.13
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=CC=C21	REAL300000335133	1	39	-2.0	-128.51	358.79	6.75	-121.76
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335134	1	34	-2.0	-119.30	322.79	7.17	-112.13
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000335135	1	34	-2.0	-123.40	325.83	8.01	-115.39
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=CS1	REAL300000335136	0	31	-2.0	-128.11	319.47	6.04	-122.07
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335137	1	38	-2.0	-117.95	356.46	6.25	-111.70
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335138	0	35	-2.0	-96.33	337.56	6.51	-89.82
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300000335140	1	39	-2.0	-122.09	364.12	9.85	-112.24
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335141	1	40	-2.0	-119.06	361.10	8.42	-110.64
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000335142	1	28	-2.0	-111.26	286.30	5.80	-105.46
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000335143	0	28	-2.0	-124.32	285.39	5.79	-118.53
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000335144	1	33	-2.0	-114.50	322.27	6.25	-108.25
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=C2N=C1	REAL300000335145	0	36	-2.0	-136.88	341.23	7.00	-129.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(Cl)=C1	REAL300000335147	0	31	-2.0	-119.44	314.43	6.96	-112.48
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300000335148	0	32	-2.0	-121.40	324.64	6.01	-115.39
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300000335149	1	34	-2.0	-115.29	330.63	2.97	-112.32
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335150	1	33	-2.0	-124.34	334.07	0.69	-123.65
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=CC=C21	REAL300000335151	1	36	-2.0	-115.25	342.72	6.16	-109.09
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000335152	0	34	-2.0	-127.23	330.43	6.46	-120.77
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=C2C1=O	REAL300000335153	0	35	-2.0	-112.22	345.73	4.99	-107.23
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000335154	1	33	-2.0	-111.47	327.58	7.24	-104.23
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=CC=C21	REAL300000335155	1	34	-2.0	-114.57	334.03	5.69	-108.88
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300000335156	1	32	-2.0	-113.10	325.88	5.53	-107.57
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335157	1	34	-2.0	-125.52	340.59	3.26	-122.26
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335158	1	31	-2.0	-110.31	301.78	6.58	-103.73
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000335159	0	28	-2.0	-110.74	299.42	6.36	-104.38
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300000335160	0	40	-2.0	-125.65	365.82	5.07	-120.58
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(F)=C1	REAL300000335161	0	35	-2.0	-133.87	341.45	4.70	-129.17
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335162	1	34	-2.0	-129.44	340.59	3.26	-126.18
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1OC	REAL300000335164	0	36	-2.0	-119.91	344.10	5.00	-114.91
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1OC	REAL300000335165	1	39	-2.0	-116.56	354.06	5.70	-110.86
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335166	0	31	-3.0	-193.05	314.99	5.65	-187.40
CN1C=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335166	1	32	-2.0	-110.71	314.85	5.63	-105.08
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1Cl	REAL300000335167	0	28	-2.0	-125.85	297.36	5.30	-120.55
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(N)=O	REAL300000335168	0	33	-2.0	-116.08	321.84	1.90	-114.18
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335169	0	35	-2.0	-94.45	328.77	5.03	-89.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1Cl	REAL300000335171	1	32	-2.0	-114.98	325.40	5.59	-109.39
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1F	REAL300000335172	1	32	-2.0	-114.81	315.60	5.11	-109.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(N)=O	REAL300000335175	1	35	-2.0	-113.15	330.48	3.19	-109.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(N)=O	REAL300000335176	1	36	-2.0	-114.85	341.70	3.11	-111.74
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335177	0	28	-2.0	-115.40	284.44	3.43	-111.97
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335178	0	33	-2.0	-105.24	323.60	7.18	-98.06
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CN1C	REAL300000335179	0	36	-2.0	-116.98	343.77	3.39	-113.59
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335180	1	31	-2.0	-113.74	312.11	7.03	-106.71
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=N2)C=C1	REAL300000335182	0	38	-2.0	-117.76	361.86	7.53	-110.23
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300000335184	1	39	-2.0	-117.28	355.36	5.86	-111.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335186	0	30	-3.0	-183.38	317.46	5.98	-177.40
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1Cl	REAL300000335187	1	29	-2.0	-106.61	316.10	6.54	-100.07
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1Cl	REAL300000335188	1	29	-2.0	-107.40	316.12	6.54	-100.86
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335189	0	37	-2.0	-94.85	339.62	7.64	-87.21
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000335190	1	32	-2.0	-123.20	318.25	6.10	-117.10
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C2=CC=CN=C12	REAL300000335191	1	37	-2.0	-121.70	345.19	5.51	-116.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1Cl	REAL300000335192	1	31	-2.0	-116.35	315.35	6.85	-109.50
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000335193	0	28	-2.0	-121.32	301.55	6.30	-115.02
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335195	0	34	-2.0	-111.95	336.35	6.20	-105.75
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000335196	1	38	-2.0	-125.74	349.25	7.39	-118.35
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1F	REAL300000335197	1	31	-2.0	-116.21	306.61	6.44	-109.77
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335198	1	31	-2.0	-111.30	312.10	7.01	-104.29
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335199	0	31	-2.0	-124.72	306.80	6.46	-118.26
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335200	1	31	-2.0	-113.63	301.78	6.57	-107.06
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335201	0	33	-2.0	-131.00	318.28	8.08	-122.92
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300000335202	0	36	-2.0	-120.41	345.19	4.98	-115.43
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335203	1	38	-2.0	-131.30	352.03	5.59	-125.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CS1	REAL300000335207	0	27	-3.0	-189.65	300.01	5.33	-184.32
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])=CS1	REAL300000335207	1	28	-2.0	-95.58	299.51	5.30	-90.28
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1Cl	REAL300000335208	0	31	-2.0	-120.17	322.22	7.63	-112.54
COC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335209	0	35	-2.0	-119.61	333.68	6.30	-113.31
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300000335210	0	25	-2.0	-113.36	292.20	5.29	-108.07
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1O	REAL300000335211	1	35	-2.0	-115.61	343.49	4.43	-111.18
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335212	1	41	-2.0	-126.21	383.29	5.53	-120.68
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000335213	0	30	-2.0	-123.40	307.37	7.22	-116.18
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335214	0	40	-2.0	-98.93	359.49	7.87	-91.06
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335214	1	39	-3.0	-192.97	361.39	8.27	-184.70
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300000335215	1	38	-2.0	-120.34	354.08	9.15	-111.19
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335216	1	39	-2.0	-128.68	370.64	5.40	-123.28
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300000335219	1	39	-2.0	-129.39	367.94	5.71	-123.68
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335220	0	32	-2.0	-118.44	311.08	4.10	-114.34
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000335221	0	25	-2.0	-112.06	261.47	2.12	-109.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335222	0	37	-2.0	-97.91	335.17	7.40	-90.51
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335222	1	36	-3.0	-184.85	333.98	7.83	-177.02
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000335223	0	31	-2.0	-123.89	319.41	6.64	-117.25
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335224	0	37	-3.0	-204.06	358.78	6.86	-197.20
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335224	1	38	-2.0	-121.39	356.10	6.80	-114.59
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000335225	0	33	-3.0	-175.05	335.05	6.78	-168.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000335225	1	32	-4.0	-286.45	336.76	6.86	-279.59
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335226	0	31	-2.0	-111.59	327.76	5.49	-106.10
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335227	0	38	-2.0	-99.54	349.68	7.76	-91.78
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335227	1	37	-3.0	-196.54	352.60	8.19	-188.35
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C	REAL300000335228	0	36	-2.0	-131.73	340.10	8.36	-123.37
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000335229	0	32	-2.0	-110.17	317.70	6.10	-104.07
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000335230	0	28	-2.0	-115.60	294.80	6.09	-109.51
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000335231	0	30	-3.0	-182.90	311.36	5.44	-177.46
CC1=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000335231	1	31	-2.0	-93.50	309.05	4.97	-88.53
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000335232	0	31	-2.0	-140.10	308.08	4.93	-135.17
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335233	0	34	-2.0	-123.20	340.15	6.44	-116.76
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335234	0	38	-2.0	-128.21	351.41	7.11	-121.10
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000335235	1	31	-2.0	-107.69	324.20	6.79	-100.90
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300000335237	0	30	-2.0	-130.61	313.61	7.88	-122.73
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000335238	1	33	-2.0	-128.41	328.22	5.90	-122.51
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=CC(Br)=C1	REAL300000335239	0	27	-2.0	-109.57	296.21	4.53	-105.04
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000335241	0	30	-2.0	-134.80	305.91	7.36	-127.44
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335242	0	34	-3.0	-203.73	337.27	5.38	-198.35
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335242	1	35	-2.0	-104.38	334.62	4.90	-99.48
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000335243	0	35	-2.0	-118.20	340.46	6.85	-111.35
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300000335244	0	38	-2.0	-116.44	365.88	7.29	-109.15
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000335245	0	27	-2.0	-109.17	281.29	4.02	-105.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(F)(F)F	REAL300000335246	1	34	-2.0	-115.63	334.31	7.26	-108.37
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=CC=C21	REAL300000335247	1	38	-2.0	-115.42	360.14	6.65	-108.77
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335248	0	31	-2.0	-117.20	327.94	5.40	-111.80
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335249	0	36	-2.0	-107.22	333.87	7.92	-99.30
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300000335250	1	33	-2.0	-120.61	316.05	6.15	-114.46
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000335251	0	27	-2.0	-110.33	305.04	4.87	-105.46
CC1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300000335252	0	38	-2.0	-96.00	357.54	7.22	-88.78
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335253	0	28	-2.0	-126.95	283.90	4.83	-122.12
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=C12	REAL300000335255	1	36	-2.0	-113.57	346.22	5.47	-108.10
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=C12	REAL300000335256	0	32	-2.0	-108.58	319.64	2.71	-105.87
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300000335257	1	37	-2.0	-120.08	361.44	8.58	-111.50
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000335258	0	28	-2.0	-122.64	291.66	5.86	-116.78
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(F)=C1	REAL300000335259	0	32	-2.0	-121.91	317.88	5.32	-116.59
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300000335260	0	30	-2.0	-123.64	317.71	7.67	-115.97
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335261	0	34	-2.0	-88.63	325.21	7.02	-81.61
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335261	1	33	-3.0	-181.02	329.06	7.11	-173.91
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000335262	0	34	-2.0	-125.33	323.02	5.38	-119.95
CC1=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CN1C	REAL300000335263	0	31	-2.0	-132.46	303.58	4.62	-127.84
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000335264	0	32	-2.0	-121.03	317.91	5.78	-115.25
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335265	1	37	-2.0	-122.00	356.54	7.31	-114.69
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335266	0	31	-2.0	-115.65	305.97	4.29	-111.36
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335267	1	40	-2.0	-112.87	378.03	8.11	-104.76
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335268	1	35	-2.0	-120.89	334.96	5.45	-115.44
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300000335269	0	31	-2.0	-116.58	324.45	6.80	-109.78
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300000335270	0	28	-2.0	-118.94	311.95	5.83	-113.11
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335271	0	38	-2.0	-120.45	355.79	7.20	-113.25
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000335272	1	33	-2.0	-118.20	315.86	5.02	-113.18
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000335273	0	28	-2.0	-113.29	299.42	6.36	-106.93
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=C2)=CO1	REAL300000335274	1	37	-2.0	-122.31	356.28	4.80	-117.51
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000335276	1	32	-2.0	-111.24	324.18	2.58	-108.66
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335277	0	28	-2.0	-113.19	280.27	2.78	-110.41
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335278	1	32	-2.0	-121.45	309.39	5.03	-116.42
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335279	1	31	-2.0	-118.42	294.95	6.52	-111.90
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335280	0	34	-2.0	-122.68	341.22	3.97	-118.71
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335280	1	33	-3.0	-190.07	337.27	2.86	-187.21
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=N1	REAL300000335281	0	28	-2.0	-127.30	284.90	3.26	-124.04
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335282	0	28	-2.0	-110.90	280.13	3.37	-107.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(F)=C1	REAL300000335285	0	31	-2.0	-124.28	306.80	6.47	-117.81
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1F	REAL300000335286	1	31	-2.0	-112.17	306.61	6.43	-105.74
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000335287	0	25	-2.0	-124.41	261.19	3.13	-121.28
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])O1	REAL300000335288	0	31	-2.0	-113.02	319.43	4.53	-108.49
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000335289	0	33	-2.0	-136.43	319.83	6.36	-130.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000335290	0	30	-3.0	-186.08	316.98	6.19	-179.89
CC1=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000335290	1	31	-2.0	-95.83	314.69	5.73	-90.10
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1C	REAL300000335291	1	37	-2.0	-122.01	344.22	7.06	-114.95
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335292	0	32	-2.0	-119.54	322.49	5.60	-113.94
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CN=C1Cl	REAL300000335293	0	30	-2.0	-110.02	310.54	4.95	-105.07
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335295	1	37	-2.0	-123.32	356.85	7.18	-116.14
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=C21	REAL300000335297	1	39	-2.0	-142.62	359.06	6.78	-135.84
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335298	0	40	-2.0	-118.56	357.99	6.38	-112.18
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])SC=C1	REAL300000335299	0	28	-2.0	-118.32	288.12	5.55	-112.77
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1C	REAL300000335300	0	37	-2.0	-117.89	339.32	5.67	-112.22
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C	REAL300000335301	1	37	-2.0	-114.19	350.69	6.92	-107.27
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000335302	0	33	-2.0	-107.13	324.10	6.92	-100.21
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000335303	1	36	-2.0	-131.01	339.48	4.19	-126.82
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335304	1	32	-2.0	-112.32	316.16	6.91	-105.41
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1F	REAL300000335305	1	35	-2.0	-128.75	341.06	4.75	-124.00
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000335306	0	33	-2.0	-115.02	332.27	7.10	-107.92
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1C	REAL300000335307	1	38	-2.0	-140.55	354.77	5.52	-135.03
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335308	0	32	-2.0	-120.42	317.53	6.20	-114.22
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335309	1	32	-2.0	-109.27	316.14	6.89	-102.38
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300000335310	1	37	-2.0	-125.61	348.58	5.80	-119.81
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1OC	REAL300000335311	1	38	-2.0	-117.04	361.97	6.43	-110.61
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(F)=C1	REAL300000335312	0	29	-2.0	-113.65	306.18	6.19	-107.46
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=C2O1	REAL300000335313	1	33	-2.0	-117.38	323.53	3.39	-113.99
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335314	0	34	-2.0	-116.15	324.65	4.81	-111.34
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000335315	1	33	-2.0	-120.55	320.85	6.12	-114.43
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335316	0	34	-2.0	-119.83	339.26	4.50	-115.33
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CN1	REAL300000335317	0	34	-2.0	-130.00	323.86	4.17	-125.83
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000335318	0	31	-2.0	-120.11	321.72	7.54	-112.57
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300000335320	0	37	-2.0	-121.53	352.12	7.11	-114.42
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000335322	1	28	-2.0	-102.68	298.88	5.92	-96.76
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335323	1	39	-2.0	-116.12	362.51	7.57	-108.55
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CN1C	REAL300000335325	0	35	-2.0	-121.76	341.05	5.84	-115.92
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335326	1	43	-2.0	-119.38	370.33	8.52	-110.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(Cl)=C1	REAL300000335327	0	30	-3.0	-176.95	321.41	6.85	-170.10
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C(Cl)=C1	REAL300000335327	1	31	-2.0	-89.85	318.58	6.41	-83.44
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1F	REAL300000335328	0	31	-2.0	-97.14	310.85	6.27	-90.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1F	REAL300000335328	1	30	-3.0	-178.24	312.86	6.33	-171.91
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335329	1	36	-2.0	-127.81	346.37	5.14	-122.67
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300000335330	0	35	-2.0	-121.45	344.85	7.00	-114.45
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335331	1	38	-2.0	-128.55	347.51	5.98	-122.57
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC(C)=C1F	REAL300000335332	1	34	-2.0	-113.23	326.93	7.07	-106.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335333	0	27	-3.0	-181.61	300.61	5.42	-176.19
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335334	0	37	-2.0	-126.29	344.47	6.71	-119.58
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335335	0	31	-2.0	-91.02	313.08	6.29	-84.73
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335335	1	30	-3.0	-184.85	314.77	6.36	-178.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1F	REAL300000335336	0	33	-3.0	-191.25	334.10	6.99	-184.26
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335337	1	42	-2.0	-115.63	372.70	7.79	-107.84
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CN1	REAL300000335338	0	32	-2.0	-118.52	323.29	4.07	-114.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(F)=C1	REAL300000335339	0	30	-3.0	-180.51	313.80	6.36	-174.15
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1Cl	REAL300000335340	0	31	-2.0	-94.65	318.83	6.62	-88.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1Cl	REAL300000335340	1	30	-3.0	-176.82	320.84	6.69	-170.13
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335341	1	31	-2.0	-115.35	300.27	6.55	-108.80
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1C	REAL300000335342	1	37	-2.0	-116.30	350.73	6.92	-109.38
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CS1	REAL300000335343	0	31	-2.0	-117.36	327.16	5.41	-111.95
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1F	REAL300000335344	1	34	-2.0	-110.51	339.22	6.41	-104.10
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335345	0	30	-2.0	-115.43	304.16	4.33	-111.10
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335346	1	32	-2.0	-122.36	322.14	6.91	-115.45
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1[O-]	REAL300000335347	1	36	-2.0	-99.04	339.75	2.61	-96.43
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335348	1	34	-2.0	-112.78	334.12	7.51	-105.27
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335349	1	34	-2.0	-120.76	322.78	7.16	-113.60
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335350	1	31	-2.0	-115.88	307.72	6.47	-109.41
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335351	0	34	-2.0	-114.53	337.78	5.20	-109.33
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000335352	1	34	-2.0	-114.03	331.26	4.79	-109.24
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335353	0	38	-2.0	-126.59	362.83	6.18	-120.41
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335354	1	40	-2.0	-120.84	366.66	7.71	-113.13
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=CC=C2O1	REAL300000335355	1	39	-2.0	-118.88	357.32	6.98	-111.90
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C(F)C=C1F	REAL300000335356	0	31	-2.0	-115.57	312.10	6.49	-109.08
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300000335357	0	34	-2.0	-127.79	331.67	8.80	-118.99
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000335358	1	34	-2.0	-128.51	320.93	8.04	-120.47
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000335359	0	30	-2.0	-117.15	311.88	5.21	-111.94
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335360	0	31	-3.0	-186.41	318.06	4.01	-182.40
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335360	1	31	-3.0	-191.38	311.86	4.86	-186.52
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000335361	1	38	-2.0	-123.38	335.19	8.36	-115.02
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335362	0	34	-2.0	-95.94	328.69	7.01	-88.93
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335362	1	33	-3.0	-180.92	330.53	7.08	-173.84
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])O1	REAL300000335363	0	34	-2.0	-113.35	341.29	5.46	-107.89
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000335364	0	30	-2.0	-107.02	314.52	6.47	-100.55
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335365	0	33	-2.0	-126.40	335.72	6.78	-119.62
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=CC=C21	REAL300000335366	1	40	-2.0	-118.28	370.62	7.26	-111.02
COC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])SC=C1	REAL300000335367	0	29	-2.0	-124.63	302.06	4.02	-120.61
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300000335368	0	34	-2.0	-121.50	336.64	6.83	-114.67
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000335369	0	31	-2.0	-122.82	309.65	6.12	-116.70
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=CC=C2C=C1	REAL300000335370	0	36	-2.0	-138.72	341.40	6.97	-131.75
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=C21	REAL300000335371	1	39	-2.0	-114.01	363.19	5.24	-108.77
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300000335372	1	34	-2.0	-119.25	335.30	8.47	-110.78
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])SC2=CC=CC(F)=C12	REAL300000335373	0	34	-2.0	-121.88	337.53	7.90	-113.98
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1F	REAL300000335374	0	33	-2.0	-115.62	333.90	7.11	-108.51
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335375	0	30	-2.0	-123.60	313.13	4.47	-119.13
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335376	0	28	-2.0	-108.39	294.86	4.68	-103.71
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])N=C1Cl	REAL300000335377	0	28	-2.0	-126.75	300.23	4.56	-122.19
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC(OC)=C1	REAL300000335378	1	36	-2.0	-122.89	338.88	4.34	-118.55
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000335379	0	29	-2.0	-125.08	295.73	4.47	-120.61
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335380	0	29	-2.0	-108.22	302.11	3.57	-104.65
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335381	0	27	-2.0	-114.89	288.42	3.56	-111.33
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335382	1	33	-2.0	-104.47	328.10	7.20	-97.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335383	0	34	-2.0	-113.51	315.40	6.89	-106.62
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335383	1	33	-3.0	-196.23	318.39	6.94	-189.29
CC1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000335385	0	34	-2.0	-97.08	331.49	6.88	-90.20
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000335385	1	33	-3.0	-193.20	333.19	6.94	-186.26
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335386	0	34	-2.0	-96.02	320.03	6.98	-89.04
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1F	REAL300000335387	0	31	-2.0	-117.98	312.08	6.50	-111.48
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000335388	0	34	-2.0	-107.02	335.42	6.48	-100.54
CC1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000335389	0	37	-2.0	-114.75	339.33	7.28	-107.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000335389	1	36	-3.0	-199.98	341.23	7.36	-192.62
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300000335390	1	34	-2.0	-129.11	337.63	8.55	-120.56
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000335391	0	31	-2.0	-116.28	325.22	7.23	-109.05
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1CC	REAL300000335392	1	40	-2.0	-121.83	356.95	8.30	-113.53
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335393	0	30	-3.0	-181.01	320.09	6.42	-174.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300000335394	1	33	-2.0	-107.93	332.93	7.06	-100.87
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000335395	0	27	-2.0	-115.07	298.89	5.18	-109.89
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335396	0	34	-2.0	-126.68	325.33	6.12	-120.56
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335397	0	33	-2.0	-109.66	330.63	4.56	-105.10
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000335398	0	27	-2.0	-106.01	305.31	4.92	-101.09
CC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000335399	0	37	-2.0	-118.54	339.06	7.62	-110.92
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335400	0	33	-3.0	-191.86	333.67	6.99	-184.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335401	0	33	-3.0	-207.02	333.38	6.98	-200.04
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335402	1	36	-2.0	-129.60	342.97	7.00	-122.60
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335403	0	35	-2.0	-113.88	339.64	3.34	-110.54
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000335404	0	33	-2.0	-125.52	330.21	6.58	-118.94
CCC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335405	0	37	-2.0	-96.32	340.80	7.42	-88.90
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335405	1	36	-3.0	-198.52	342.64	7.48	-191.04
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000335406	0	39	-2.0	-116.00	357.05	4.27	-111.73
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335409	0	34	-2.0	-86.95	324.87	5.78	-81.17
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335410	0	37	-2.0	-119.44	352.88	7.38	-112.06
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335411	0	34	-2.0	-126.22	327.21	6.49	-119.73
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000335412	0	36	-2.0	-114.11	337.93	3.48	-110.63
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1F	REAL300000335414	0	31	-2.0	-125.85	305.70	6.45	-119.40
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335415	0	34	-2.0	-111.98	328.93	3.36	-108.62
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000335416	0	35	-2.0	-133.94	325.83	5.76	-128.18
COC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000335417	0	38	-2.0	-120.87	356.92	6.36	-114.51
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000335417	1	37	-3.0	-204.67	358.81	6.42	-198.25
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335418	1	35	-2.0	-118.53	334.96	5.46	-113.07
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335419	0	33	-2.0	-118.39	319.16	2.72	-115.67
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1Cl	REAL300000335420	0	31	-2.0	-120.68	311.75	6.88	-113.80
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C(C)O1	REAL300000335422	0	31	-2.0	-115.72	302.84	5.31	-110.41
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300000335423	0	34	-2.0	-124.93	326.14	3.40	-121.53
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335425	1	35	-2.0	-118.29	326.49	5.77	-112.52
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000335426	0	37	-2.0	-108.23	353.11	6.04	-102.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])O1	REAL300000335428	0	28	-2.0	-119.08	284.49	4.55	-114.53
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335429	0	31	-2.0	-119.80	313.53	6.15	-113.65
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000335430	1	31	-2.0	-115.91	305.94	4.39	-111.52
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000335431	0	36	-2.0	-136.56	333.52	7.49	-129.07
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000335432	0	34	-2.0	-122.82	329.16	7.75	-115.07
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000335433	0	30	-2.0	-103.98	312.62	6.43	-97.55
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000335434	1	28	-2.0	-109.54	303.04	6.32	-103.22
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C(C)O1	REAL300000335435	0	34	-2.0	-110.60	337.72	5.29	-105.31
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000335436	0	27	-2.0	-109.51	291.64	4.43	-105.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])N=C1C	REAL300000335437	0	34	-2.0	-132.46	325.60	5.53	-126.93
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335438	0	31	-2.0	-119.75	314.43	6.96	-112.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335439	0	34	-3.0	-194.78	336.37	6.51	-188.27
CCN1C=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335439	1	35	-2.0	-98.86	336.21	6.50	-92.36
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335440	0	31	-2.0	-117.21	319.77	4.48	-112.73
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335441	0	40	-2.0	-119.19	359.37	6.29	-112.90
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CN1C	REAL300000335442	0	38	-2.0	-121.30	362.92	6.77	-114.53
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335443	1	36	-2.0	-115.06	339.57	7.67	-107.39
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000335444	0	28	-2.0	-122.93	295.95	6.53	-116.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(Cl)=N1	REAL300000335445	0	30	-2.0	-118.00	309.78	5.05	-112.95
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335446	0	33	-2.0	-116.03	328.94	5.92	-110.11
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1Cl	REAL300000335447	1	32	-2.0	-115.14	335.09	7.21	-107.93
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335448	0	30	-2.0	-114.61	309.90	4.31	-110.30
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=C12	REAL300000335449	0	35	-2.0	-107.96	341.13	3.45	-104.51
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335450	0	30	-2.0	-112.54	318.02	6.06	-106.48
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CN=C1Cl	REAL300000335451	0	31	-2.0	-108.00	320.74	3.68	-104.32
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=CC=C21	REAL300000335452	1	37	-2.0	-114.42	355.82	6.69	-107.73
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000335453	0	30	-2.0	-107.25	315.39	5.04	-102.21
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335454	0	34	-2.0	-115.24	341.09	6.45	-108.79
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335455	0	43	-2.0	-118.40	372.82	6.75	-111.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C)=C1F	REAL300000335456	1	35	-2.0	-115.01	329.98	5.84	-109.17
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(Cl)=C1	REAL300000335457	0	29	-2.0	-109.40	313.78	6.69	-102.71
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000335458	0	31	-2.0	-129.10	307.82	6.04	-123.06
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335459	0	33	-2.0	-114.92	329.84	4.59	-110.33
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000335460	0	25	-2.0	-112.71	284.27	4.46	-108.25
CC1=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300000335461	0	37	-2.0	-129.35	354.22	4.84	-124.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000335462	1	36	-2.0	-113.26	339.58	7.69	-105.57
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335464	1	40	-2.0	-119.39	371.98	8.10	-111.29
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300000335465	0	28	-2.0	-110.49	315.06	6.84	-103.65
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335466	0	28	-2.0	-111.80	308.88	5.95	-105.85
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(OC)=C1	REAL300000335467	0	38	-2.0	-119.99	362.88	6.18	-113.81
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000335468	1	31	-2.0	-119.64	312.07	6.60	-113.04
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300000335469	0	31	-2.0	-114.11	324.13	6.80	-107.31
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000335470	0	31	-2.0	-113.05	318.96	4.59	-108.46
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335471	0	32	-2.0	-124.49	315.97	6.80	-117.69
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)F)=C1	REAL300000335472	1	31	-2.0	-119.58	325.25	2.96	-116.62
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300000335473	0	36	-2.0	-114.07	349.32	7.02	-107.05
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C)=CS1	REAL300000335474	0	34	-2.0	-128.82	335.11	6.91	-121.91
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1F	REAL300000335475	1	32	-2.0	-111.24	315.60	5.11	-106.13
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000335476	0	25	-2.0	-117.32	262.57	3.72	-113.60
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335477	0	27	-2.0	-106.33	274.30	2.15	-104.18
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=CN=C21	REAL300000335478	1	33	-2.0	-113.46	324.26	4.86	-108.60
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000335479	0	27	-2.0	-108.18	301.06	5.49	-102.69
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335481	1	36	-2.0	-119.20	347.09	3.95	-115.25
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000335482	0	32	-2.0	-124.08	308.01	5.17	-118.91
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335483	0	29	-2.0	-112.17	313.80	6.69	-105.48
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000335484	0	31	-2.0	-113.92	323.84	4.80	-109.12
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335485	1	34	-2.0	-113.26	305.65	7.26	-106.00
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000335487	0	32	-2.0	-133.88	318.28	5.81	-128.07
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335488	0	41	-2.0	-118.18	370.08	7.19	-110.99
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=CC=C12	REAL300000335489	0	36	-2.0	-136.78	337.78	6.91	-129.87
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335490	1	32	-2.0	-121.83	331.15	3.02	-118.81
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000335491	0	29	-2.0	-126.15	304.66	4.04	-122.11
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335492	0	31	-2.0	-115.75	304.46	3.21	-112.54
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1OC	REAL300000335493	0	38	-2.0	-114.79	361.96	6.44	-108.35
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-])OCO2	REAL300000335495	1	34	-2.0	-114.17	321.38	5.17	-109.00
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335496	0	34	-2.0	-113.26	326.39	6.84	-106.42
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335497	1	38	-2.0	-118.75	350.07	5.58	-113.17
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335498	0	31	-2.0	-122.26	324.55	3.23	-119.03
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335498	1	30	-3.0	-189.31	321.55	2.09	-187.22
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1F	REAL300000335499	1	35	-2.0	-118.02	341.07	4.75	-113.27
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300000335500	1	32	-2.0	-114.30	325.35	5.38	-108.92
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000335501	1	31	-2.0	-107.12	324.21	6.79	-100.33
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335502	0	33	-2.0	-117.01	336.69	1.34	-115.67
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335503	1	32	-2.0	-122.82	304.52	7.06	-115.76
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335504	1	32	-2.0	-121.81	322.14	6.90	-114.91
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000335505	0	28	-2.0	-111.57	309.75	6.81	-104.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(N)=NO1	REAL300000335507	0	29	-2.0	-108.96	287.42	3.10	-105.86
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335508	0	32	-2.0	-120.75	324.88	6.04	-114.71
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000335509	0	29	-2.0	-113.08	307.39	4.50	-108.58
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335510	1	35	-2.0	-119.85	324.86	5.81	-114.04
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1Cl	REAL300000335511	1	35	-2.0	-113.36	340.45	6.37	-106.99
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335513	0	26	-2.0	-107.81	292.40	5.29	-102.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335514	0	30	-2.0	-116.17	296.49	4.56	-111.61
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000335515	0	33	-2.0	-119.96	321.08	6.10	-113.86
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(F)=C1	REAL300000335516	0	34	-2.0	-118.30	340.13	6.46	-111.84
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1F	REAL300000335517	0	34	-2.0	-112.11	339.20	6.42	-105.69
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1C#N	REAL300000335518	1	32	-2.0	-110.24	319.85	6.62	-103.62
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000335519	0	27	-2.0	-103.61	297.62	4.41	-99.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(F)=C1	REAL300000335521	0	32	-2.0	-121.67	314.86	5.09	-116.58
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300000335522	1	34	-2.0	-117.91	340.91	7.53	-110.38
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000335524	1	31	-2.0	-116.87	314.07	6.67	-110.20
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000335525	1	38	-2.0	-125.04	354.09	9.15	-115.89
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])N(C)N=C1	REAL300000335527	0	31	-2.0	-112.09	296.77	4.20	-107.89
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])O1	REAL300000335528	0	26	-2.0	-109.58	283.82	4.28	-105.30
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000335529	0	25	-2.0	-114.65	270.99	4.64	-110.01
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000335530	0	25	-2.0	-115.10	262.42	3.63	-111.47
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335531	0	39	-2.0	-128.69	363.22	5.25	-123.44
CC1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000335532	0	34	-2.0	-98.26	323.50	6.84	-91.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000335532	1	33	-3.0	-180.07	324.36	6.84	-173.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335533	0	31	-2.0	-111.88	307.07	2.42	-109.46
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000335534	0	28	-2.0	-118.02	302.12	6.31	-111.71
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335535	0	37	-2.0	-120.40	357.42	8.51	-111.89
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335536	0	37	-2.0	-119.85	353.24	8.22	-111.63
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000335537	0	31	-2.0	-121.46	316.39	7.10	-114.36
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335538	1	40	-2.0	-124.14	378.70	8.10	-116.04
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1C	REAL300000335539	1	40	-2.0	-116.88	372.60	7.84	-109.04
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=C2O1	REAL300000335540	0	39	-2.0	-132.81	357.61	6.95	-125.86
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000335541	0	31	-2.0	-123.30	306.49	4.36	-118.94
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335542	1	34	-2.0	-109.55	334.44	7.52	-102.03
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335543	1	35	-2.0	-121.84	331.24	5.96	-115.88
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000335544	0	28	-2.0	-118.89	302.23	6.59	-112.30
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=C2C=C1	REAL300000335545	1	37	-2.0	-123.05	347.18	8.66	-114.39
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000335546	0	25	-2.0	-114.16	287.87	5.18	-108.98
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335547	0	28	-2.0	-117.43	293.45	5.39	-112.04
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335548	1	41	-2.0	-123.07	376.38	6.09	-116.98
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000335549	0	25	-2.0	-113.41	278.17	2.54	-110.87
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300000335550	0	33	-2.0	-126.93	334.41	6.79	-120.14
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000335551	0	27	-2.0	-113.94	286.81	3.85	-110.09
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335552	0	37	-2.0	-113.64	344.42	4.80	-108.84
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335553	0	37	-2.0	-112.87	349.07	4.29	-108.58
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000335556	0	31	-2.0	-116.17	316.07	6.19	-109.98
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335557	0	27	-2.0	-111.09	288.38	4.03	-107.06
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300000335559	0	32	-2.0	-111.16	328.39	4.43	-106.73
O=C([O-])C1=CC(Cl)=CC=C1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000335559	1	32	-2.0	-97.82	322.22	5.29	-92.53
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300000335560	0	34	-2.0	-112.79	333.36	7.03	-105.76
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000335561	1	35	-2.0	-119.44	329.11	7.84	-111.60
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000335562	0	25	-2.0	-115.87	278.17	4.77	-111.10
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=CC=C2NC1=O	REAL300000335563	1	37	-2.0	-113.99	350.95	5.48	-108.51
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300000335564	0	34	-2.0	-131.85	340.72	4.16	-127.69
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C(F)(F)F)=N1	REAL300000335565	0	31	-2.0	-118.36	318.53	4.58	-113.78
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000335566	1	37	-2.0	-119.50	344.72	7.33	-112.17
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1F	REAL300000335567	1	29	-2.0	-106.59	306.59	6.17	-100.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300000335568	0	33	-2.0	-110.78	329.59	6.98	-103.80
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335569	0	34	-2.0	-97.88	324.35	6.67	-91.21
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335569	1	33	-3.0	-186.08	328.30	7.11	-178.97
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300000335570	0	29	-2.0	-117.61	312.78	5.02	-112.59
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335572	1	28	-2.0	-143.95	285.24	1.67	-142.28
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000335573	0	28	-2.0	-108.93	312.47	5.92	-103.01
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000335574	0	25	-2.0	-123.13	261.51	2.32	-120.81
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000335575	0	33	-2.0	-123.61	316.88	2.64	-120.97
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335576	0	31	-2.0	-119.90	310.00	6.36	-113.54
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CN=C1C	REAL300000335577	0	36	-2.0	-110.75	346.12	5.08	-105.67
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335578	0	30	-2.0	-108.69	307.45	5.11	-103.58
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300000335579	1	34	-2.0	-111.28	334.31	7.25	-104.03
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335580	1	37	-2.0	-124.31	356.84	7.17	-117.14
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300000335581	1	30	-2.0	-107.76	319.65	5.61	-102.15
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=NN1C	REAL300000335583	0	31	-2.0	-114.62	300.55	3.97	-110.65
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335584	1	32	-2.0	-119.81	310.98	6.82	-112.99
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335585	1	41	-2.0	-132.03	373.84	6.59	-125.44
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335586	0	31	-2.0	-116.70	303.27	4.09	-112.61
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335587	1	35	-2.0	-118.06	351.70	5.96	-112.10
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000335588	0	28	-2.0	-114.78	295.53	3.26	-111.52
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000335589	0	34	-2.0	-116.18	330.53	5.46	-110.72
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300000335590	0	36	-2.0	-108.92	351.04	4.30	-104.62
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300000335591	1	35	-2.0	-125.08	335.87	5.48	-119.60
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1Cl	REAL300000335592	1	32	-2.0	-112.13	325.41	5.59	-106.54
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000335593	0	30	-3.0	-205.72	311.99	6.32	-199.40
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000335594	0	25	-2.0	-121.70	279.25	3.73	-117.97
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000335595	0	30	-2.0	-130.28	311.09	5.16	-125.12
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000335596	1	33	-2.0	-122.06	315.69	5.57	-116.49
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000335597	0	34	-2.0	-129.57	330.40	8.05	-121.52
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300000335598	0	31	-2.0	-123.67	320.04	4.81	-118.86
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335599	0	31	-2.0	-119.51	307.01	7.24	-112.27
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300000335600	0	32	-2.0	-115.00	324.31	5.85	-109.15
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000335601	0	33	-2.0	-129.32	316.15	5.56	-123.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300000335602	0	37	-2.0	-121.99	349.79	8.76	-113.23
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(F)=C1	REAL300000335607	0	31	-2.0	-126.08	309.80	6.69	-119.39
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000335608	0	27	-2.0	-109.92	304.93	4.93	-104.99
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1Br	REAL300000335609	0	28	-2.0	-110.68	303.45	3.89	-106.79
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=CC=C21	REAL300000335610	1	33	-2.0	-117.84	323.74	4.19	-113.65
CS(=O)(=NS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-])C1=CC=CC=C1	REAL300000335611	1	35	-2.0	-143.49	342.07	4.45	-139.04
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335612	0	34	-2.0	-103.59	327.68	6.78	-96.81
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335612	1	33	-3.0	-187.35	333.31	6.97	-180.38
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335614	0	32	-2.0	-120.66	314.55	5.58	-115.08
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300000335615	1	31	-2.0	-107.76	319.48	4.83	-102.93
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000335616	1	36	-2.0	-116.96	342.34	7.57	-109.39
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335617	0	44	-2.0	-127.89	384.32	7.85	-120.04
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1Cl	REAL300000335619	0	31	-2.0	-108.56	323.14	2.97	-105.59
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335620	0	27	-2.0	-108.35	276.84	3.69	-104.66
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000335621	1	32	-2.0	-114.08	329.96	3.89	-110.19
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CC=C1Cl	REAL300000335622	1	31	-2.0	-113.33	315.35	6.84	-106.49
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000335623	1	34	-2.0	-128.53	328.01	6.72	-121.81
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000335624	0	30	-2.0	-125.73	314.47	6.93	-118.80
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335625	1	33	-2.0	-135.74	321.41	1.67	-134.07
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000335626	1	31	-2.0	-112.00	321.90	3.92	-108.08
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000335627	0	27	-2.0	-122.30	280.40	3.92	-118.38
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000335629	0	27	-2.0	-107.80	281.30	3.88	-103.92
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000335632	1	28	-2.0	-108.99	302.48	6.30	-102.69
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000335633	0	37	-2.0	-128.76	341.58	6.08	-122.68
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000335634	0	36	-2.0	-128.96	332.08	6.94	-122.02
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335635	0	38	-2.0	-119.48	353.01	4.72	-114.76
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335638	1	35	-2.0	-129.84	335.83	3.17	-126.67
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(=O)NC1=O	REAL300000335639	1	31	-2.0	-123.01	308.30	2.44	-120.57
CC(C)OC1(CS(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])CCOC1	REAL300000335640	1	42	-2.0	-116.93	356.16	4.64	-112.29
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C	REAL300000335641	1	39	-2.0	-122.68	365.58	4.91	-117.77
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335643	1	41	-2.0	-122.57	369.91	7.39	-115.18
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1F	REAL300000335646	0	33	-2.0	-122.73	325.10	7.81	-114.92
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CN1CC1CC1	REAL300000335647	0	41	-2.0	-133.70	378.76	7.68	-126.02
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])O1	REAL300000335648	0	34	-2.0	-114.11	337.33	5.11	-109.00
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=C2C1	REAL300000335649	1	39	-2.0	-124.52	363.32	6.20	-118.32
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000335650	0	31	-2.0	-115.96	319.64	5.24	-110.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300000335651	1	36	-2.0	-115.65	343.56	8.07	-107.58
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335652	0	31	-2.0	-105.04	321.49	4.36	-100.68
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000335653	0	27	-2.0	-114.78	297.27	4.34	-110.44
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300000335654	1	38	-2.0	-132.40	345.99	9.14	-123.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(F)=C1F	REAL300000335655	0	31	-2.0	-123.14	311.97	6.51	-116.63
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=N1	REAL300000335657	0	30	-2.0	-130.59	306.98	4.71	-125.88
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C)=N1	REAL300000335658	0	40	-2.0	-116.44	367.80	6.50	-109.94
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335659	0	29	-3.0	-193.62	304.56	4.41	-189.21
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335660	0	32	-2.0	-113.39	308.77	5.71	-107.68
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1F	REAL300000335662	1	40	-2.0	-116.39	358.10	7.99	-108.40
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335663	0	29	-2.0	-108.10	307.14	6.19	-101.91
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1C(F)(F)F	REAL300000335664	0	31	-2.0	-111.96	313.03	4.37	-107.59
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000335665	0	30	-2.0	-130.45	303.05	4.92	-125.53
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000335665	1	30	-2.0	-117.58	303.16	4.78	-112.80
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000335666	0	32	-2.0	-127.91	313.63	5.70	-122.21
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335667	0	38	-2.0	-117.10	340.88	5.85	-111.25
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C(C)(C)C)=N1	REAL300000335668	0	40	-2.0	-114.24	345.29	6.26	-107.98
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000335669	0	38	-2.0	-117.24	347.30	6.08	-111.16
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(Br)=N1	REAL300000335670	0	28	-2.0	-115.96	305.09	3.93	-112.03
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000335672	0	29	-2.0	-112.15	296.07	3.49	-108.66
O=C([O-])C1=CC(Cl)=CC=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000335672	1	29	-2.0	-99.25	289.90	4.35	-94.90
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335673	1	38	-2.0	-118.56	357.10	8.52	-110.04
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335674	0	34	-2.0	-113.84	319.08	4.78	-109.06
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1F	REAL300000335675	0	33	-2.0	-117.45	325.67	6.22	-111.23
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335676	0	28	-2.0	-110.79	285.10	3.08	-107.71
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000335677	1	31	-2.0	-112.53	316.57	6.63	-105.90
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335680	1	35	-2.0	-121.57	343.64	7.69	-113.88
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335681	1	34	-2.0	-112.51	326.88	7.94	-104.57
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335682	0	28	-2.0	-108.17	299.13	1.53	-106.64
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000335684	0	24	-2.0	-110.18	266.63	3.43	-106.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335686	0	34	-3.0	-184.47	336.55	6.09	-178.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335686	1	35	-2.0	-106.67	333.72	6.03	-100.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000335687	0	32	-2.0	-113.97	319.39	1.34	-112.63
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335688	1	37	-2.0	-112.93	327.07	8.04	-104.89
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000335689	0	28	-2.0	-121.79	294.26	5.85	-115.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C(Cl)O1	REAL300000335690	0	27	-3.0	-177.72	308.46	5.27	-172.45
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000335691	0	33	-2.0	-129.29	316.13	6.24	-123.05
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335692	0	35	-2.0	-120.00	341.30	5.92	-114.08
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1F	REAL300000335693	0	29	-2.0	-121.86	305.69	6.15	-115.71
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335694	0	31	-2.0	-109.19	334.45	5.01	-104.18
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000335695	0	35	-2.0	-116.87	329.79	5.40	-111.47
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000335696	0	35	-2.0	-114.40	326.78	5.61	-108.79
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000335697	0	38	-2.0	-115.58	349.09	6.35	-109.23
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=NN2C1	REAL300000335698	0	39	-2.0	-123.99	354.93	3.74	-120.25
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300000335699	0	34	-2.0	-118.90	346.73	6.64	-112.26
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000335700	1	34	-2.0	-116.05	330.61	2.96	-113.09
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000335701	0	25	-2.0	-115.85	280.55	4.45	-111.40
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1F	REAL300000335702	1	32	-2.0	-108.15	325.76	5.28	-102.87
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000335703	0	35	-2.0	-122.33	324.27	5.76	-116.57
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1F	REAL300000335704	0	32	-2.0	-115.51	321.09	5.17	-110.34
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335706	0	38	-2.0	-123.82	354.34	7.13	-116.69
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335707	0	31	-2.0	-115.46	304.63	6.40	-109.06
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=C2O1	REAL300000335708	0	36	-2.0	-131.02	337.32	6.32	-124.70
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335709	0	36	-2.0	-116.32	348.56	5.40	-110.92
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=C2)CC1	REAL300000335710	1	36	-2.0	-122.10	348.13	7.94	-114.16
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335711	0	32	-2.0	-122.51	316.35	6.40	-116.11
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000335712	0	25	-2.0	-114.80	285.31	5.17	-109.63
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335713	0	28	-2.0	-106.79	300.83	3.90	-102.89
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000335714	0	30	-2.0	-108.26	313.78	4.89	-103.37
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335715	0	33	-2.0	-134.22	320.58	5.34	-128.88
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000335716	1	29	-2.0	-107.09	294.77	4.52	-102.57
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000335717	0	31	-2.0	-122.00	318.73	7.16	-114.84
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000335718	0	31	-2.0	-133.01	324.80	5.43	-127.58
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335719	0	35	-2.0	-113.41	331.83	5.45	-107.96
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C)=C1F	REAL300000335720	1	37	-2.0	-116.47	335.79	8.10	-108.37
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1OC	REAL300000335721	0	36	-2.0	-118.95	331.74	5.49	-113.46
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300000335722	1	37	-2.0	-121.63	348.20	2.95	-118.68
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000335723	0	31	-2.0	-122.41	309.66	6.01	-116.40
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1OC	REAL300000335724	0	36	-2.0	-128.52	339.37	6.06	-122.46
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C2CCCC2)=N1	REAL300000335725	0	41	-2.0	-122.10	368.64	6.64	-115.46
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000335726	0	35	-2.0	-119.15	335.19	5.66	-113.49
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300000335727	1	32	-2.0	-118.37	319.14	5.31	-113.06
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000335728	0	31	-2.0	-127.25	309.32	4.93	-122.32
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C=CC=C21	REAL300000335729	0	33	-2.0	-138.58	324.43	4.13	-134.45
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=C21	REAL300000335730	0	35	-2.0	-119.21	320.56	7.70	-111.51
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CN=C1N	REAL300000335731	1	32	-2.0	-118.44	307.90	3.44	-115.00
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335732	0	28	-2.0	-115.99	297.18	1.60	-114.39
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])N=CN1	REAL300000335733	0	28	-2.0	-126.09	279.00	3.83	-122.26
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000335735	0	31	-2.0	-116.42	313.61	6.12	-110.30
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C2CCC2)=N1	REAL300000335736	0	38	-2.0	-120.99	351.41	6.14	-114.85
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335737	1	46	-2.0	-121.94	393.40	9.63	-112.31
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000335738	0	25	-2.0	-114.15	285.72	5.27	-108.88
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000335739	0	38	-2.0	-117.60	353.88	6.38	-111.22
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000335740	0	32	-2.0	-122.84	318.01	6.85	-115.99
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335741	1	41	-2.0	-127.71	369.70	4.14	-123.57
COC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000335742	0	37	-2.0	-145.40	345.31	6.93	-138.47
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335743	1	37	-2.0	-120.94	344.28	7.94	-113.00
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335744	0	34	-2.0	-110.70	336.16	4.07	-106.63
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335745	0	35	-2.0	-117.91	325.58	5.27	-112.64
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335746	1	34	-2.0	-118.36	309.54	7.36	-111.00
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335747	0	37	-2.0	-111.20	326.88	5.64	-105.56
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335748	0	37	-2.0	-117.34	344.38	5.45	-111.89
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000335749	0	35	-2.0	-117.35	328.47	4.83	-112.52
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=CN=C1C(F)(F)F	REAL300000335750	0	33	-2.0	-108.24	330.81	5.55	-102.69
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335751	0	39	-2.0	-116.76	354.16	6.56	-110.20
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C([N+](=O)[O-])=C1	REAL300000335752	0	30	-2.0	-100.78	318.92	6.48	-94.30
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300000335753	1	31	-2.0	-108.46	325.04	6.80	-101.66
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000335754	1	31	-2.0	-117.64	307.88	6.55	-111.09
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000335755	0	28	-2.0	-115.70	301.47	6.10	-109.60
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000335756	0	28	-2.0	-109.29	311.62	5.84	-103.45
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335757	0	31	-2.0	-112.21	302.06	3.96	-108.25
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1C	REAL300000335759	1	34	-2.0	-119.60	312.38	7.04	-112.56
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000335760	0	31	-2.0	-125.44	299.51	7.00	-118.44
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335761	1	39	-2.0	-128.84	364.47	7.77	-121.07
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=CC=C21	REAL300000335763	1	38	-2.0	-122.01	360.13	7.42	-114.59
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335764	1	37	-2.0	-119.06	358.32	7.39	-111.67
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1Cl	REAL300000335765	0	29	-2.0	-117.15	312.51	6.58	-110.57
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000335766	0	28	-2.0	-116.57	299.47	5.97	-110.60
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000335767	1	35	-2.0	-121.29	329.11	7.84	-113.45
COC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=CS1	REAL300000335768	0	29	-2.0	-121.75	302.15	4.17	-117.58
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300000335769	0	31	-2.0	-114.25	310.83	7.15	-107.10
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335770	0	34	-2.0	-113.61	344.86	6.04	-107.57
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000335771	0	35	-2.0	-123.84	334.60	7.90	-115.94
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000335772	0	38	-2.0	-115.33	344.71	6.34	-108.99
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335773	0	37	-2.0	-114.64	339.85	5.61	-109.03
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335774	1	37	-2.0	-124.12	351.13	3.25	-120.87
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335775	0	31	-2.0	-126.95	333.82	2.23	-124.72
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])C2=N1	REAL300000335776	0	33	-2.0	-129.80	323.49	4.09	-125.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])O1	REAL300000335777	0	31	-2.0	-119.00	305.97	5.33	-113.67
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000335778	0	28	-2.0	-111.08	303.74	4.96	-106.12
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335779	0	32	-2.0	-112.65	320.84	5.65	-107.00
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C2CCOCC2)=N1	REAL300000335780	0	42	-2.0	-118.51	378.23	4.87	-113.64
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335781	1	34	-2.0	-119.72	333.10	7.26	-112.46
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000335782	1	32	-2.0	-118.57	319.14	5.31	-113.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])S1	REAL300000335784	0	29	-2.0	-115.18	303.67	4.18	-111.00
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C2=NC=CC=C12	REAL300000335785	0	39	-2.0	-137.63	351.31	8.02	-129.61
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000335787	0	31	-2.0	-112.87	312.56	4.43	-108.44
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335788	1	38	-2.0	-121.04	356.81	6.42	-114.62
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1Cl	REAL300000335789	0	31	-2.0	-113.36	331.56	5.19	-108.17
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335790	0	38	-2.0	-115.83	359.56	6.92	-108.91
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000335791	0	41	-2.0	-116.79	366.28	6.67	-110.12
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000335792	1	31	-2.0	-118.56	300.45	6.70	-111.86
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335793	1	40	-2.0	-122.16	368.58	8.66	-113.50
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000335794	0	31	-2.0	-125.53	306.89	6.08	-119.45
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000335795	1	30	-2.0	-120.83	310.84	5.12	-115.71
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=N1	REAL300000335796	0	30	-2.0	-116.38	300.60	2.60	-113.78
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1Cl	REAL300000335797	0	31	-2.0	-112.10	321.55	4.66	-107.44
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300000335798	0	30	-2.0	-113.38	320.90	5.01	-108.37
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000335799	0	25	-2.0	-112.24	279.64	4.35	-107.89
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300000335800	1	33	-2.0	-128.13	333.09	6.71	-121.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000335801	1	37	-2.0	-129.55	338.65	8.57	-120.98
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000335803	0	28	-2.0	-113.75	307.40	6.34	-107.41
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])O1	REAL300000335804	0	34	-2.0	-132.30	343.51	2.02	-130.28
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300000335805	0	38	-2.0	-122.73	355.57	7.08	-115.65
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000335807	0	32	-2.0	-119.26	323.71	7.05	-112.21
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000335808	0	31	-2.0	-106.35	325.34	6.54	-99.81
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300000335810	0	24	-2.0	-106.75	283.82	4.16	-102.59
CC1=COC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335811	0	28	-2.0	-118.11	284.47	4.40	-113.71
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1	REAL300000335812	1	38	-2.0	-117.94	366.57	7.63	-110.31
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1OC	REAL300000335813	0	33	-2.0	-116.61	332.89	3.74	-112.87
O=C([O-])C1=CC(Cl)=CC=C1NS(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000335814	0	29	-2.0	-84.67	313.69	4.33	-80.34
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000335814	1	28	-3.0	-179.35	316.47	4.77	-174.58
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000335815	0	27	-2.0	-103.20	297.51	4.36	-98.84
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300000335816	1	32	-2.0	-117.25	325.36	5.38	-111.87
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335817	0	34	-2.0	-118.08	323.29	5.74	-112.34
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C(=O)[O-])=CC=C21	REAL300000335818	1	35	-2.0	-127.15	333.61	7.49	-119.66
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300000335819	0	31	-2.0	-119.71	310.57	7.13	-112.58
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300000335820	0	25	-2.0	-106.62	304.96	5.83	-100.79
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1Cl	REAL300000335821	0	28	-2.0	-111.61	299.74	3.79	-107.82
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300000335822	1	33	-2.0	-115.95	332.56	6.41	-109.54
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335823	0	34	-2.0	-128.64	316.36	7.53	-121.11
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])OC=C1	REAL300000335824	0	26	-2.0	-115.38	284.04	4.19	-111.19
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335825	0	30	-2.0	-107.11	307.64	5.12	-101.99
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335826	1	39	-2.0	-122.58	363.56	7.36	-115.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000335827	0	38	-2.0	-119.64	356.69	6.53	-113.11
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C2=NSN=C2C=C1	REAL300000335828	0	32	-2.0	-123.15	318.13	5.09	-118.06
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300000335829	1	34	-2.0	-117.15	342.53	8.51	-108.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(=O)NC(=O)N1	REAL300000335830	1	31	-2.0	-122.46	302.95	1.46	-121.00
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335831	0	41	-2.0	-116.80	366.58	6.95	-109.85
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000335832	0	25	-2.0	-113.77	278.64	4.23	-109.54
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000335833	0	25	-2.0	-111.69	288.69	5.24	-106.45
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335834	0	42	-2.0	-126.10	384.71	6.03	-120.07
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300000335835	0	34	-2.0	-122.81	338.74	8.57	-114.24
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335836	0	36	-2.0	-115.27	332.16	3.48	-111.79
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000335837	1	35	-2.0	-121.31	323.44	7.90	-113.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C)=N1	REAL300000335841	1	34	-2.0	-111.47	322.74	3.17	-108.30
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335842	0	34	-2.0	-123.43	327.30	3.55	-119.88
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335843	0	31	-2.0	-116.16	322.60	3.40	-112.76
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C	REAL300000335844	0	34	-2.0	-113.30	327.20	3.14	-110.16
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=N1	REAL300000335845	0	37	-2.0	-115.96	347.31	5.82	-110.14
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335846	0	37	-2.0	-117.54	343.49	5.47	-112.07
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300000335847	0	27	-2.0	-114.38	307.22	3.72	-110.66
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=CO1	REAL300000335848	0	26	-2.0	-118.16	282.85	4.14	-114.02
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])SC=C1	REAL300000335849	0	26	-2.0	-113.63	291.94	5.07	-108.56
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(=O)[O-]	REAL300000335850	0	34	-2.0	-113.24	321.61	5.00	-108.24
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C1C	REAL300000335851	0	36	-2.0	-110.64	346.66	5.10	-105.54
O=C([O-])C1=CC(Cl)=CC=C1NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000335852	0	38	-2.0	-103.90	352.72	8.11	-95.79
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000335852	1	37	-3.0	-190.24	352.95	8.14	-182.10
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335853	0	31	-2.0	-122.86	321.77	7.54	-115.32
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000335854	0	35	-2.0	-112.55	332.09	5.86	-106.69
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000335855	0	35	-2.0	-120.28	333.61	6.88	-113.40
COC1=NOC(CS(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335856	1	31	-2.0	-109.46	310.95	2.08	-107.38
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=NN1C(C)C	REAL300000335857	0	37	-2.0	-115.94	344.38	5.48	-110.46
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300000335858	1	35	-2.0	-120.45	339.74	7.93	-112.52
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000335859	0	30	-2.0	-114.36	307.23	4.75	-109.61
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(S(=O)(=O)F)=CS1	REAL300000335860	0	28	-2.0	-114.75	319.29	1.86	-112.89
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300000335862	1	35	-2.0	-121.99	341.39	7.97	-114.02
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C12	REAL300000335863	0	32	-2.0	-121.52	330.34	6.20	-115.32
O=C([O-])C1=CC(Cl)=CC=C1NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000335864	0	38	-2.0	-96.30	352.18	8.12	-88.18
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000335864	1	37	-3.0	-199.05	352.44	8.15	-190.90
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000335865	1	29	-2.0	-120.10	290.90	2.88	-117.22
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000335866	0	31	-2.0	-127.68	319.56	6.73	-120.95
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000335867	0	24	-2.0	-107.99	265.54	3.34	-104.65
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000335868	0	32	-2.0	-131.79	327.78	4.99	-126.80
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300000335869	1	35	-2.0	-127.34	335.71	8.03	-119.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000335870	0	31	-2.0	-117.50	326.94	7.34	-110.16
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300000335871	0	35	-2.0	-119.72	347.79	6.79	-112.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C(C(F)F)=C1	REAL300000335872	1	35	-2.0	-119.43	330.90	6.22	-113.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C2=NC=CC=C12	REAL300000335873	0	36	-2.0	-137.23	337.59	6.89	-130.34
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000335874	0	33	-3.0	-180.34	326.69	6.18	-174.16
CCC1=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000335874	1	34	-2.0	-92.90	326.86	5.82	-87.08
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335875	0	41	-2.0	-129.31	369.34	7.73	-121.58
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])C=C(Cl)S1	REAL300000335876	0	28	-2.0	-109.39	306.44	6.12	-103.27
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000335877	0	24	-2.0	-112.86	266.47	2.85	-110.01
O=C([O-])C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000335878	0	35	-2.0	-117.90	325.61	5.04	-112.86
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(=O)[O-])=C1	REAL300000335879	0	31	-2.0	-124.72	306.80	6.46	-118.26
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000335880	1	37	-2.0	-126.54	337.93	6.68	-119.86
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000335881	1	34	-2.0	-129.45	322.50	5.91	-123.54
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000335882	1	33	-2.0	-125.28	303.63	5.11	-120.17
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000335884	0	28	-2.0	-133.66	276.21	5.52	-128.14
O=C([O-])C1=C(F)C=CC=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000335885	0	31	-2.0	-104.70	299.49	4.90	-99.80
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000335885	1	30	-3.0	-187.04	301.17	4.97	-182.07
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000335886	0	27	-2.0	-115.69	279.58	3.89	-111.80
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000335887	1	29	-2.0	-121.32	288.55	5.65	-115.67
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335888	1	29	-2.0	-116.60	288.53	5.65	-110.95
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000335889	0	28	-2.0	-123.03	289.94	5.84	-117.19
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000335890	0	29	-2.0	-133.46	285.81	5.54	-127.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1Br	REAL300000335891	1	31	-2.0	-120.31	307.22	6.44	-113.87
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Br	REAL300000335892	0	28	-2.0	-124.60	284.20	5.95	-118.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1NC(C)=O	REAL300000335893	1	39	-2.0	-143.07	351.77	3.58	-139.49
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300000335894	1	32	-2.0	-117.65	313.69	5.05	-112.60
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335895	0	37	-3.0	-177.86	352.63	4.40	-173.46
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335895	1	38	-2.0	-97.97	350.67	4.33	-93.64
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC=C1F	REAL300000335896	0	31	-2.0	-122.10	298.97	5.78	-116.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1F	REAL300000335896	1	30	-3.0	-198.51	300.71	5.84	-192.67
CC1=C(C)C(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C)=C1C	REAL300000335897	1	43	-2.0	-130.70	344.81	8.43	-122.27
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300000335898	0	32	-2.0	-122.09	317.02	7.33	-114.76
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000335899	1	37	-2.0	-127.01	330.53	5.19	-121.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000335900	0	33	-2.0	-123.89	311.91	6.45	-117.44
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000335901	0	38	-3.0	-194.40	355.78	6.90	-187.50
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000335901	1	39	-2.0	-114.38	353.00	6.85	-107.53
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)S1	REAL300000335902	0	25	-2.0	-118.00	281.33	4.99	-113.01
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1Cl	REAL300000335903	0	34	-2.0	-122.04	327.44	7.76	-114.28
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000335904	1	46	-2.0	-126.77	374.05	9.24	-117.53
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300000335905	1	44	-2.0	-125.72	369.57	9.06	-116.66
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000335906	1	31	-2.0	-117.12	306.44	6.26	-110.86
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000335907	1	38	-2.0	-129.20	330.43	7.74	-121.46
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335908	0	31	-2.0	-105.12	294.32	5.75	-99.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335908	1	30	-3.0	-186.76	296.15	5.82	-180.94
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000335909	0	36	-2.0	-133.49	325.44	4.33	-129.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1OC	REAL300000335910	1	36	-2.0	-124.76	326.43	4.46	-120.30
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000335911	1	35	-2.0	-129.25	313.23	7.16	-122.09
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000335912	0	30	-2.0	-116.06	282.64	4.17	-111.89
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000335913	1	28	-2.0	-116.17	299.62	6.23	-109.94
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000335914	0	31	-2.0	-122.06	294.49	5.76	-116.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000335914	1	30	-3.0	-202.44	296.18	5.81	-196.63
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000335915	1	28	-2.0	-115.07	280.41	5.37	-109.70
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000335916	0	28	-2.0	-120.25	297.57	6.34	-113.91
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000335917	1	31	-2.0	-121.45	306.44	6.26	-115.19
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000335918	1	31	-2.0	-127.32	289.12	5.92	-121.40
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000335920	0	31	-2.0	-127.54	292.32	6.61	-120.93
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300000335921	1	31	-2.0	-115.29	319.60	6.68	-108.61
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000335922	1	28	-2.0	-122.31	284.44	5.77	-116.54
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300000335923	0	31	-2.0	-118.89	319.91	6.83	-112.06
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335924	1	33	-2.0	-124.40	308.17	5.65	-118.75
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000335925	1	34	-2.0	-126.20	304.61	6.69	-119.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C	REAL300000335926	1	34	-2.0	-128.63	306.13	6.46	-122.17
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000335927	1	28	-2.0	-115.38	290.30	5.82	-109.56
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000335928	1	33	-2.0	-136.25	308.98	5.66	-130.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C)=C1	REAL300000335929	1	34	-2.0	-125.68	304.61	6.69	-118.99
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335930	0	37	-2.0	-120.11	344.34	6.84	-113.27
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000335931	0	28	-2.0	-123.48	296.03	6.27	-117.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000335932	1	34	-2.0	-122.62	323.23	6.00	-116.62
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335933	1	40	-2.0	-126.54	343.91	7.58	-118.96
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335934	1	37	-2.0	-126.30	327.93	7.18	-119.12
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335935	1	40	-2.0	-125.80	346.39	7.85	-117.95
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000335936	0	34	-3.0	-203.53	324.30	5.61	-197.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000335936	1	35	-2.0	-122.64	321.54	5.55	-117.09
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335937	0	35	-2.0	-106.20	325.71	7.04	-99.16
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335937	1	34	-3.0	-184.17	327.62	7.11	-177.06
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000335938	0	25	-2.0	-117.80	276.69	4.87	-112.93
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335939	1	37	-2.0	-125.71	332.10	7.48	-118.23
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000335940	0	32	-2.0	-132.49	295.98	5.04	-127.45
CC1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335941	0	34	-2.0	-100.88	310.41	6.28	-94.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000335941	1	33	-3.0	-204.64	312.19	6.35	-198.29
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000335942	0	39	-2.0	-134.69	352.03	3.94	-130.75
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000335943	0	28	-2.0	-121.62	285.77	5.44	-116.18
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000335944	0	28	-2.0	-116.82	301.17	6.28	-110.54
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000335945	0	28	-2.0	-126.06	280.84	5.82	-120.24
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1	REAL300000335946	1	28	-2.0	-122.28	289.01	5.88	-116.40
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000335947	0	30	-2.0	-122.20	295.93	5.93	-116.27
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000335948	0	33	-2.0	-118.55	311.42	6.70	-111.85
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300000335949	0	30	-2.0	-115.85	308.38	6.30	-109.55
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000335950	0	25	-2.0	-123.88	259.64	4.26	-119.62
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335951	1	32	-2.0	-123.91	297.20	4.55	-119.36
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000335952	0	30	-2.0	-138.37	288.80	6.67	-131.70
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000335953	0	30	-3.0	-192.48	309.25	6.38	-186.10
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000335953	1	31	-2.0	-98.77	306.40	5.94	-92.83
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC=C1Cl	REAL300000335954	0	31	-2.0	-119.15	306.97	6.14	-113.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1Cl	REAL300000335954	1	30	-3.0	-197.72	308.68	6.21	-191.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335955	1	31	-2.0	-126.64	289.12	5.93	-120.71
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335956	1	35	-2.0	-123.75	319.05	5.48	-118.27
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000335957	0	28	-2.0	-122.22	279.62	5.38	-116.84
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000335958	0	28	-2.0	-122.47	274.12	5.32	-117.15
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000335959	0	28	-2.0	-116.02	280.53	5.39	-110.63
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1C	REAL300000335960	1	40	-2.0	-127.69	331.22	7.95	-119.74
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000335961	1	34	-2.0	-126.97	312.20	4.41	-122.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C)=C1	REAL300000335962	1	37	-2.0	-126.97	319.55	7.61	-119.36
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000335963	1	43	-2.0	-127.71	359.40	8.35	-119.36
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000335964	1	28	-2.0	-118.96	284.44	5.77	-113.19
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1	REAL300000335965	1	28	-2.0	-118.91	289.00	5.88	-113.03
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000335966	0	30	-2.0	-112.92	295.93	5.93	-106.99
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335967	1	35	-2.0	-130.82	323.77	4.14	-126.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000335968	0	28	-2.0	-125.46	281.54	5.04	-120.42
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335969	1	44	-2.0	-129.54	382.83	6.19	-123.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=C1C	REAL300000335970	0	37	-2.0	-104.19	325.48	6.74	-97.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1C	REAL300000335970	1	36	-3.0	-199.48	329.28	7.14	-192.34
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000335971	0	32	-2.0	-125.01	312.70	5.57	-119.44
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000335972	1	31	-2.0	-120.39	304.49	6.65	-113.74
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300000335973	0	30	-2.0	-128.53	305.52	7.18	-121.35
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000335974	0	30	-3.0	-196.05	301.64	5.88	-190.17
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300000335975	0	25	-2.0	-115.28	290.55	5.41	-109.87
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335976	1	43	-2.0	-125.47	371.17	8.76	-116.71
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000335977	0	33	-2.0	-122.35	305.95	6.52	-115.83
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000335978	0	28	-2.0	-124.74	279.60	5.38	-119.36
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335979	0	37	-2.0	-102.22	337.91	7.34	-94.88
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335979	1	36	-3.0	-185.77	339.75	7.40	-178.37
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335980	1	38	-2.0	-130.54	344.36	4.96	-125.58
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000335981	1	32	-2.0	-120.15	303.46	2.07	-118.08
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300000335982	1	35	-2.0	-122.21	338.63	5.94	-116.27
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335983	1	32	-2.0	-124.10	307.90	6.28	-117.82
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000335984	1	33	-2.0	-121.64	309.74	3.70	-117.94
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000335985	1	36	-2.0	-122.67	327.53	4.44	-118.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1OCC	REAL300000335986	1	42	-2.0	-125.28	370.15	6.30	-118.98
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300000335987	1	33	-2.0	-121.54	315.97	5.43	-116.11
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000335988	0	27	-3.0	-195.38	289.36	4.84	-190.54
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000335989	1	31	-2.0	-119.62	299.45	2.76	-116.86
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000335991	0	34	-2.0	-97.89	307.86	6.50	-91.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000335991	1	33	-3.0	-197.13	311.60	6.60	-190.53
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000335992	0	34	-2.0	-124.43	305.33	4.34	-120.09
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000335993	0	36	-2.0	-132.27	344.32	1.43	-130.84
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1C	REAL300000335994	0	36	-2.0	-118.82	329.14	7.25	-111.57
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C2CC1C	REAL300000335995	1	42	-2.0	-135.12	362.09	6.82	-128.30
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335996	0	34	-2.0	-120.53	322.47	5.92	-114.61
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335997	0	35	-2.0	-124.81	324.14	3.53	-121.28
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000335998	0	33	-2.0	-127.21	321.89	0.22	-126.99
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300000335999	1	32	-2.0	-121.85	323.00	5.39	-116.46
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300000336000	1	39	-2.0	-133.40	345.51	6.37	-127.03
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C21	REAL300000336001	1	42	-2.0	-138.00	360.80	6.88	-131.12
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336002	0	32	-2.0	-124.56	302.21	2.03	-122.53
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C21	REAL300000336003	1	39	-2.0	-135.61	346.96	6.31	-129.30
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336004	1	34	-2.0	-126.23	310.60	6.70	-119.53
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000336005	1	34	-2.0	-130.44	313.65	7.53	-122.91
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=CS1	REAL300000336006	0	31	-2.0	-134.89	307.29	5.56	-129.33
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336007	1	38	-2.0	-124.52	344.29	5.77	-118.75
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336008	0	35	-2.0	-103.57	325.38	6.03	-97.54
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336008	1	34	-3.0	-183.22	327.24	6.10	-177.12
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C	REAL300000336009	1	42	-2.0	-127.74	372.77	5.49	-122.25
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300000336010	1	39	-2.0	-129.08	351.93	9.37	-119.71
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336011	1	40	-2.0	-125.99	348.86	7.94	-118.05
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000336012	1	28	-2.0	-118.15	274.11	5.32	-112.83
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000336013	0	28	-2.0	-131.34	273.21	5.32	-126.02
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C2NC(=O)CC2=C1	REAL300000336015	0	33	-2.0	-120.59	322.84	4.27	-116.32
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000336016	1	33	-2.0	-121.23	310.09	5.76	-115.47
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=C2N=C1	REAL300000336017	0	36	-2.0	-143.81	329.06	6.53	-137.28
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336018	1	38	-2.0	-123.12	340.55	6.28	-116.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(Cl)=C1	REAL300000336019	0	31	-2.0	-126.02	302.25	6.48	-119.54
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300000336020	0	32	-2.0	-128.23	312.47	5.53	-122.70
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300000336021	1	34	-2.0	-122.22	318.45	2.48	-119.74
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336022	0	33	-2.0	-131.12	321.95	0.21	-130.91
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C21	REAL300000336023	1	36	-2.0	-122.12	330.54	5.67	-116.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000336024	0	34	-2.0	-134.35	318.26	5.97	-128.38
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300000336025	1	34	-2.0	-119.23	324.27	2.25	-116.98
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C2C1=O	REAL300000336026	0	35	-2.0	-119.15	333.55	4.52	-114.63
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000336027	1	33	-2.0	-118.40	315.54	6.75	-111.65
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C21	REAL300000336028	1	34	-2.0	-121.54	321.83	5.21	-116.33
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300000336029	1	32	-2.0	-120.01	313.70	5.05	-114.96
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336030	0	34	-2.0	-132.84	328.41	2.78	-130.06
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336031	1	31	-2.0	-117.03	289.60	6.09	-110.94
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336032	0	36	-2.0	-127.14	344.32	1.43	-125.71
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000336033	0	28	-2.0	-117.57	287.24	5.89	-111.68
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300000336034	0	40	-2.0	-132.57	353.64	4.59	-127.98
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000336035	0	35	-2.0	-141.10	329.27	4.21	-136.89
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336036	1	34	-2.0	-136.56	328.41	2.78	-133.78
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300000336037	1	37	-2.0	-128.36	341.91	7.95	-120.41
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1OC	REAL300000336039	0	36	-2.0	-126.90	331.92	4.52	-122.38
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1OC	REAL300000336040	1	39	-2.0	-123.41	341.46	5.24	-118.17
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336041	0	31	-3.0	-200.25	302.82	5.17	-195.08
CN1C=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336041	1	32	-2.0	-119.56	302.70	5.15	-114.41
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1Cl	REAL300000336042	0	28	-2.0	-132.90	285.18	4.82	-128.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(Br)=C1	REAL300000336043	0	31	-2.0	-124.48	305.61	6.62	-117.86
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(N)=O	REAL300000336044	0	33	-2.0	-122.97	309.91	1.40	-121.57
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000336045	0	35	-2.0	-99.29	316.62	4.56	-94.73
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336045	1	34	-3.0	-196.54	319.95	4.64	-191.90
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336046	0	34	-2.0	-125.59	335.58	6.47	-119.12
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336047	1	39	-2.0	-125.35	352.68	4.75	-120.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000336048	1	32	-2.0	-121.83	313.23	5.11	-116.72
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336049	1	32	-2.0	-121.77	303.42	4.63	-117.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C	REAL300000336050	1	35	-2.0	-125.20	317.28	5.30	-119.90
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C	REAL300000336051	1	38	-2.0	-125.15	339.15	6.22	-118.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(N)=O	REAL300000336052	1	35	-2.0	-119.93	318.30	2.71	-117.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(N)=O	REAL300000336053	1	36	-2.0	-121.64	329.52	2.63	-119.01
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336054	0	33	-2.0	-112.12	311.42	6.70	-105.42
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CN1C	REAL300000336056	0	36	-2.0	-124.36	331.90	2.90	-121.46
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336057	1	31	-2.0	-120.41	299.92	6.55	-113.86
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336058	1	41	-2.0	-123.33	360.65	6.98	-116.35
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=N2)C=C1	REAL300000336059	0	38	-2.0	-124.73	349.68	7.04	-117.69
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)CCOC1=CC=C(F)C=C1	REAL300000336060	1	35	-2.0	-116.79	327.22	5.68	-111.11
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300000336061	1	39	-2.0	-124.20	343.18	5.39	-118.81
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C	REAL300000336062	1	38	-2.0	-126.26	341.29	6.14	-120.12
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C3=C2C1=CC=C3	REAL300000336063	0	36	-2.0	-124.75	331.27	5.10	-119.65
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336064	0	30	-3.0	-190.73	305.28	5.50	-185.23
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000336065	1	29	-2.0	-113.36	303.93	6.06	-107.30
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1Cl	REAL300000336066	1	29	-2.0	-114.19	303.94	6.06	-108.13
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336067	0	37	-2.0	-97.75	323.76	7.06	-90.69
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336067	1	36	-3.0	-199.15	327.63	7.13	-192.02
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000336068	1	32	-2.0	-130.05	306.07	5.62	-124.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C2=CC=CN=C12	REAL300000336069	1	37	-2.0	-128.63	333.01	5.05	-123.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000336070	1	31	-2.0	-123.16	303.17	6.37	-116.79
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000336071	0	28	-2.0	-128.44	289.37	5.82	-122.62
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300000336072	0	28	-2.0	-116.20	290.60	6.02	-110.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1OC(C)C	REAL300000336073	1	41	-2.0	-125.63	357.08	6.85	-118.78
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336074	0	34	-2.0	-118.76	324.18	5.72	-113.04
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C2=CC=CC=C12	REAL300000336075	1	38	-2.0	-132.74	337.08	6.92	-125.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336076	1	31	-2.0	-123.02	294.44	5.96	-117.06
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336077	1	31	-2.0	-118.04	299.93	6.53	-111.51
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300000336078	0	28	-2.0	-117.37	308.05	7.07	-110.30
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336079	0	31	-2.0	-131.58	294.61	5.98	-125.60
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336080	1	31	-2.0	-120.33	289.60	6.09	-114.24
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCCl)C=C1	REAL300000336081	1	34	-2.0	-124.01	327.76	7.32	-116.69
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336082	0	33	-2.0	-140.13	301.34	7.50	-132.63
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300000336083	0	36	-2.0	-127.42	332.99	4.51	-122.91
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336084	1	38	-2.0	-134.59	339.84	5.11	-129.48
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300000336085	1	42	-2.0	-124.10	361.76	7.45	-116.65
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336086	0	36	-2.0	-143.73	329.00	6.55	-137.18
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336087	1	44	-2.0	-123.03	379.62	7.58	-115.45
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336088	1	38	-2.0	-126.58	353.56	6.18	-120.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CS1	REAL300000336089	0	27	-3.0	-197.11	287.82	4.86	-192.25
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CS1	REAL300000336089	1	28	-2.0	-117.52	287.40	4.85	-112.67
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1Cl	REAL300000336090	0	31	-2.0	-126.63	310.06	7.15	-119.48
COC1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000336091	0	39	-2.0	-124.20	352.78	5.57	-118.63
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000336091	1	38	-3.0	-203.99	354.49	5.62	-198.37
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336092	1	37	-2.0	-134.09	343.90	3.55	-130.54
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300000336093	0	30	-2.0	-112.38	309.07	6.49	-105.89
COC1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336094	0	35	-2.0	-128.92	321.62	5.81	-123.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336094	1	34	-3.0	-208.82	323.46	5.88	-202.94
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300000336095	0	36	-2.0	-128.01	317.81	6.64	-121.37
COC(=O)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336096	1	41	-2.0	-126.91	374.51	6.33	-120.58
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300000336097	0	25	-2.0	-120.22	280.02	4.82	-115.40
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1O	REAL300000336098	1	35	-2.0	-120.69	331.32	3.95	-116.74
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336099	1	41	-2.0	-137.68	371.40	5.05	-132.63
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000336100	0	30	-2.0	-130.29	292.65	6.71	-123.58
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336101	0	42	-2.0	-134.99	378.17	4.05	-130.94
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336102	0	41	-2.0	-104.02	347.93	8.01	-96.01
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336102	1	40	-3.0	-203.36	351.41	8.44	-194.92
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000336103	0	40	-2.0	-103.90	347.27	7.40	-96.50
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336103	1	39	-3.0	-199.76	349.37	7.81	-191.95
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300000336104	1	38	-2.0	-127.28	341.89	8.67	-118.61
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000336105	0	30	-2.0	-135.39	301.11	6.63	-128.76
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336106	1	39	-2.0	-135.66	358.47	4.92	-130.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C)=C1	REAL300000336107	1	35	-2.0	-123.44	312.67	5.33	-118.11
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C	REAL300000336108	1	38	-2.0	-124.08	332.32	6.08	-118.00
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300000336109	1	39	-2.0	-136.31	355.77	5.23	-131.08
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336110	0	32	-2.0	-130.68	298.82	3.62	-127.06
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000336111	0	37	-2.0	-102.76	322.97	6.91	-95.85
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336111	1	36	-3.0	-191.32	321.82	7.35	-183.97
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000336112	0	31	-2.0	-130.60	307.23	6.16	-124.44
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])=C2	REAL300000336113	1	41	-2.0	-134.55	367.53	9.09	-125.46
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336114	0	37	-3.0	-211.58	346.60	6.38	-205.20
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000336114	1	38	-2.0	-130.60	343.92	6.33	-124.27
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000336115	0	33	-3.0	-181.25	322.85	6.31	-174.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000336115	1	32	-4.0	-294.39	324.58	6.38	-288.01
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336116	0	31	-2.0	-118.53	315.60	5.02	-113.51
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336117	0	38	-2.0	-104.42	337.49	7.28	-97.14
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336117	1	37	-3.0	-203.45	340.42	7.71	-195.74
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1F	REAL300000336118	1	34	-2.0	-131.22	332.79	2.80	-128.42
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C	REAL300000336119	0	36	-2.0	-138.67	327.89	7.90	-130.77
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000336120	0	32	-2.0	-116.98	305.51	5.63	-111.35
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000336121	0	28	-2.0	-122.75	282.63	5.60	-117.15
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336122	0	38	-2.0	-131.72	363.80	4.19	-127.53
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336123	0	38	-2.0	-122.81	361.23	4.22	-118.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000336124	0	30	-3.0	-189.86	299.18	4.96	-184.90
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000336125	0	31	-2.0	-146.77	295.91	4.45	-142.32
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336126	0	34	-2.0	-130.04	327.96	5.96	-124.08
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336127	0	38	-2.0	-135.00	339.24	6.63	-128.37
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000336128	1	31	-2.0	-114.44	312.03	6.32	-108.12
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336129	0	44	-2.0	-125.89	378.92	6.97	-118.92
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336130	1	44	-2.0	-123.11	383.55	7.84	-115.27
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300000336131	0	30	-2.0	-137.66	297.77	7.33	-130.33
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000336132	1	33	-2.0	-135.44	316.04	5.42	-130.02
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C2=CC=CC=C12	REAL300000336133	1	41	-2.0	-132.28	358.93	7.84	-124.44
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC2=C1OCCO2	REAL300000336134	0	37	-2.0	-125.21	336.62	5.53	-119.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC2=C1OCCO2	REAL300000336134	1	36	-3.0	-208.86	338.34	5.59	-203.27
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300000336135	1	32	-2.0	-119.04	324.09	6.72	-112.32
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=CC(Br)=C1	REAL300000336136	0	27	-2.0	-116.44	284.05	4.05	-112.39
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336138	1	42	-2.0	-125.45	374.53	5.72	-119.73
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336139	0	34	-2.0	-132.34	333.89	2.84	-129.50
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000336140	0	30	-2.0	-141.39	290.41	6.78	-134.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336141	0	34	-3.0	-211.54	325.09	4.90	-206.64
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336141	1	35	-2.0	-111.95	322.43	4.43	-107.52
O=C([O-])C1=C(F)C=CC=C1NS(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000336142	0	39	-2.0	-107.89	347.48	6.37	-101.52
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000336142	1	38	-3.0	-185.50	349.10	6.42	-179.08
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000336143	0	35	-2.0	-125.20	328.28	6.36	-118.84
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300000336144	0	38	-2.0	-123.31	353.68	6.82	-116.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C(Cl)C=C1F	REAL300000336145	0	30	-3.0	-187.72	313.76	6.41	-181.31
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=C(Cl)C=C1F	REAL300000336145	1	31	-2.0	-97.07	310.94	5.98	-91.09
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000336146	0	27	-2.0	-116.07	269.13	3.53	-112.54
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300000336147	0	28	-2.0	-124.93	294.50	5.94	-118.99
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(F)(F)F	REAL300000336148	1	34	-2.0	-122.42	322.14	6.78	-115.64
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C21	REAL300000336149	1	38	-2.0	-122.30	347.95	6.18	-116.12
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336150	0	31	-2.0	-124.09	315.76	4.92	-119.17
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336151	0	36	-2.0	-113.52	321.69	7.45	-106.07
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300000336152	0	33	-2.0	-127.45	303.88	5.69	-121.76
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300000336153	0	34	-2.0	-132.09	340.95	5.96	-126.13
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000336154	0	27	-2.0	-117.22	292.86	4.39	-112.83
CC1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300000336155	0	38	-2.0	-104.45	345.46	6.74	-97.71
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300000336155	1	37	-3.0	-183.96	347.34	6.80	-177.16
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C)=C1	REAL300000336156	1	38	-2.0	-123.13	334.52	6.25	-116.88
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C12	REAL300000336157	0	36	-2.0	-120.69	334.02	4.99	-115.70
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C12	REAL300000336158	0	32	-2.0	-115.43	307.46	2.23	-113.20
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336159	0	28	-2.0	-113.14	283.67	3.78	-109.36
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300000336160	1	37	-2.0	-128.63	349.26	8.10	-120.53
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000336161	0	28	-2.0	-129.82	279.48	5.38	-124.44
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000336162	0	32	-2.0	-128.71	305.70	4.83	-123.88
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300000336163	0	30	-2.0	-130.58	302.98	7.16	-123.42
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000336164	0	34	-2.0	-96.23	313.05	6.21	-90.02
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336164	1	33	-3.0	-187.89	316.88	6.63	-181.26
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000336165	0	34	-2.0	-132.19	310.85	4.89	-127.30
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CN1C	REAL300000336166	0	31	-2.0	-139.45	292.26	4.16	-135.29
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336167	0	35	-2.0	-102.32	331.78	6.10	-96.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336167	1	34	-3.0	-181.76	333.49	6.16	-175.60
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000336168	0	32	-2.0	-127.76	305.73	5.31	-122.45
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336169	1	37	-2.0	-129.02	344.37	6.84	-122.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336170	0	31	-2.0	-122.44	293.79	3.82	-118.62
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336171	0	40	-2.0	-119.86	365.83	7.64	-112.22
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CN=C21	REAL300000336172	0	36	-2.0	-116.23	337.39	2.67	-113.56
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336173	1	35	-2.0	-127.88	322.78	4.98	-122.90
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300000336174	0	36	-2.0	-134.26	333.28	5.82	-128.44
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300000336175	0	31	-2.0	-123.37	312.27	6.33	-117.04
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300000336176	0	28	-2.0	-126.06	299.77	5.35	-120.71
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336177	0	38	-2.0	-107.17	343.48	6.72	-100.45
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336177	1	37	-3.0	-209.76	345.33	6.79	-202.97
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000336178	1	33	-2.0	-123.99	303.70	4.55	-119.44
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1F	REAL300000336179	1	37	-2.0	-117.79	348.90	6.86	-110.93
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000336180	0	28	-2.0	-120.00	287.25	5.88	-114.12
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C2)=CO1	REAL300000336181	1	37	-2.0	-129.21	344.10	4.31	-124.90
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)CCOCC(F)(F)F	REAL300000336182	1	31	-2.0	-118.04	306.03	3.50	-114.54
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C2O1	REAL300000336183	1	36	-2.0	-125.41	324.62	5.85	-119.56
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000336184	0	32	-2.0	-118.03	312.01	2.11	-115.92
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336185	1	32	-2.0	-128.44	297.21	4.55	-123.89
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336186	1	31	-2.0	-125.20	283.20	6.03	-119.17
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336187	0	34	-2.0	-129.81	329.32	3.50	-126.31
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336187	1	33	-3.0	-197.58	325.09	2.38	-195.20
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000336189	1	32	-2.0	-125.20	287.07	3.47	-121.73
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)CC1CCCCO1	REAL300000336190	1	35	-2.0	-124.30	304.56	4.55	-119.75
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C(F)C=C1F	REAL300000336193	0	34	-2.0	-118.23	332.51	6.00	-112.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000336194	0	31	-2.0	-131.14	294.62	5.99	-125.15
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000336195	0	32	-2.0	-118.94	326.33	5.68	-113.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1F	REAL300000336196	1	31	-2.0	-118.84	294.44	5.95	-112.89
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])O1	REAL300000336197	0	31	-2.0	-120.11	307.25	4.05	-116.06
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000336198	0	33	-2.0	-143.28	307.65	5.89	-137.39
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300000336199	0	34	-2.0	-132.41	334.14	5.94	-126.47
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000336200	0	28	-2.0	-116.04	285.93	5.44	-110.60
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000336201	0	30	-3.0	-193.03	305.87	5.70	-187.33
CC1=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000336201	1	31	-2.0	-97.87	302.39	5.64	-92.23
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1C	REAL300000336202	1	37	-2.0	-129.04	332.04	6.58	-122.46
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336203	0	32	-2.0	-126.13	310.32	5.12	-121.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CN=C1Cl	REAL300000336204	0	30	-2.0	-116.96	298.36	4.48	-112.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C)=C1C	REAL300000336205	1	38	-2.0	-124.80	327.93	5.96	-118.84
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336206	1	37	-2.0	-130.15	344.66	6.70	-123.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)N(C)C	REAL300000336208	1	42	-2.0	-121.17	366.34	5.50	-115.67
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C21	REAL300000336209	1	39	-2.0	-149.53	346.53	6.28	-143.25
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336210	0	40	-2.0	-125.37	345.82	5.90	-119.47
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])SC=C1	REAL300000336211	0	28	-2.0	-125.32	275.94	5.08	-120.24
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336212	0	34	-2.0	-122.61	339.23	6.42	-116.19
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1C	REAL300000336213	0	37	-2.0	-124.91	326.22	5.16	-119.75
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C	REAL300000336214	0	37	-2.0	-121.15	338.50	6.45	-114.70
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000336215	0	33	-2.0	-114.00	311.92	6.44	-107.56
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000336217	1	36	-2.0	-139.88	327.30	3.71	-136.17
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336218	1	37	-2.0	-138.53	352.74	3.45	-135.08
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336219	1	32	-2.0	-118.94	303.97	6.42	-112.52
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1F	REAL300000336220	1	35	-2.0	-135.68	328.90	4.26	-131.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000336221	0	33	-2.0	-121.77	320.09	6.62	-115.15
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC(Cl)=C2O1	REAL300000336222	1	36	-2.0	-122.79	341.49	6.39	-116.40
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1C	REAL300000336223	1	38	-2.0	-147.91	342.58	5.06	-142.85
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C21	REAL300000336224	1	42	-2.0	-149.25	360.66	6.90	-142.35
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336225	0	32	-2.0	-127.06	305.35	5.72	-121.34
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336226	1	32	-2.0	-116.07	303.96	6.41	-109.66
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300000336228	1	37	-2.0	-132.48	336.38	5.32	-127.16
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1OC	REAL300000336229	1	38	-2.0	-123.91	349.79	5.96	-117.95
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000336230	0	29	-2.0	-120.68	294.01	5.71	-114.97
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C2O1	REAL300000336231	0	33	-2.0	-124.41	311.36	2.91	-121.50
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336232	0	34	-2.0	-123.12	312.47	4.34	-118.78
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000336233	1	33	-2.0	-127.52	308.69	5.64	-121.88
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336234	0	34	-2.0	-126.52	327.08	4.02	-122.50
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CN1	REAL300000336235	0	34	-2.0	-137.20	311.68	3.68	-133.52
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000336236	0	31	-2.0	-127.16	309.54	7.06	-120.10
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300000336238	0	37	-2.0	-128.47	339.91	6.64	-121.83
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336239	1	39	-2.0	-119.58	350.31	4.90	-114.68
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336240	0	32	-2.0	-122.61	324.53	6.54	-116.07
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000336241	0	28	-2.0	-109.53	286.70	5.44	-104.09
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336242	1	39	-2.0	-123.07	350.33	7.09	-115.98
CC(C)OCCS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336243	1	34	-2.0	-118.98	306.73	3.79	-115.19
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CN1C	REAL300000336244	0	35	-2.0	-128.68	328.88	5.35	-123.33
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336245	1	43	-2.0	-126.41	358.13	8.04	-118.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(Cl)=C1	REAL300000336246	0	30	-3.0	-183.94	309.22	6.37	-177.57
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C(Cl)=C1	REAL300000336246	1	31	-2.0	-96.22	306.43	5.93	-90.29
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336247	0	31	-2.0	-104.03	298.85	5.79	-98.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336247	1	30	-3.0	-185.55	300.69	5.85	-179.70
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336248	1	36	-2.0	-134.82	334.19	4.67	-130.15
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300000336249	0	35	-2.0	-128.44	332.67	6.52	-121.92
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336250	0	28	-2.0	-121.96	301.90	5.62	-116.34
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300000336251	0	28	-2.0	-115.77	294.71	5.92	-109.85
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336252	1	38	-2.0	-135.34	335.08	5.47	-129.87
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC(C)=C1F	REAL300000336253	1	34	-2.0	-120.04	314.75	6.59	-113.45
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300000336254	1	28	-2.0	-115.57	294.71	5.92	-109.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000336255	0	32	-2.0	-123.22	324.79	5.62	-117.60
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336256	0	39	-2.0	-130.47	355.45	6.00	-124.47
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300000336257	0	31	-2.0	-115.64	312.53	3.32	-112.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336258	0	27	-3.0	-189.09	288.44	4.94	-184.15
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336259	0	37	-2.0	-138.08	332.46	6.50	-131.58
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336260	0	30	-3.0	-192.24	302.58	5.88	-186.36
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336260	1	31	-2.0	-96.09	300.77	5.81	-90.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1F	REAL300000336261	0	33	-3.0	-198.32	321.92	6.51	-191.81
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336262	1	42	-2.0	-122.92	360.52	7.31	-115.61
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CN1	REAL300000336263	0	32	-2.0	-125.42	311.11	3.59	-121.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000336264	0	30	-3.0	-187.91	301.64	5.88	-182.03
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000336265	0	31	-2.0	-101.70	306.83	6.14	-95.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000336265	1	30	-3.0	-184.14	308.66	6.22	-177.92
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336266	1	31	-2.0	-122.19	288.09	6.08	-116.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1Br	REAL300000336267	1	31	-2.0	-123.37	307.21	6.45	-116.92
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1C	REAL300000336268	1	37	-2.0	-123.25	338.53	6.44	-116.81
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CS1	REAL300000336269	0	31	-2.0	-124.22	314.99	4.93	-119.29
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1F	REAL300000336270	1	34	-2.0	-117.28	327.04	5.93	-111.35
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336271	0	30	-2.0	-122.16	291.98	3.85	-118.31
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336272	1	32	-2.0	-129.15	309.96	6.43	-122.72
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC=C1[O-]	REAL300000336273	1	36	-2.0	-106.25	327.76	2.13	-104.12
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000336276	0	34	-2.0	-97.13	321.82	6.60	-90.53
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336276	1	33	-3.0	-189.48	325.62	7.02	-182.46
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336277	1	34	-2.0	-119.42	321.93	7.03	-112.39
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336278	0	28	-2.0	-119.11	300.92	5.57	-113.54
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336279	1	34	-2.0	-127.61	310.60	6.69	-120.92
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300000336280	0	31	-2.0	-123.23	323.34	7.19	-116.04
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336281	0	31	-2.0	-122.77	295.54	5.99	-116.78
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336283	0	39	-2.0	-102.97	357.99	7.15	-95.82
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336283	1	38	-3.0	-180.01	359.90	7.22	-172.79
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336284	0	34	-2.0	-121.72	325.60	4.70	-117.02
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000336285	1	34	-2.0	-120.87	319.11	4.31	-116.56
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC(F)=C1F	REAL300000336286	0	31	-2.0	-112.59	305.29	5.85	-106.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC(F)=C1F	REAL300000336286	1	30	-3.0	-189.01	306.99	5.91	-183.10
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336287	0	32	-3.0	-185.99	324.36	6.48	-179.51
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336287	1	33	-2.0	-93.57	322.55	6.42	-87.15
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300000336288	0	31	-2.0	-127.80	321.06	7.12	-120.68
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336289	0	38	-2.0	-133.32	350.64	5.71	-127.61
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336290	1	40	-2.0	-127.46	355.61	7.23	-120.23
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C2O1	REAL300000336291	1	39	-2.0	-125.83	345.15	6.51	-119.32
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C(F)C=C1F	REAL300000336292	0	31	-2.0	-122.43	299.92	6.02	-116.41
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300000336293	0	34	-2.0	-134.52	319.50	8.32	-126.20
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000336294	0	34	-2.0	-135.51	308.76	7.57	-127.94
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000336295	0	30	-2.0	-124.21	299.72	4.73	-119.48
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000336296	0	33	-2.0	-117.63	327.73	7.11	-110.52
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(F)(F)F	REAL300000336297	1	32	-2.0	-112.96	324.36	6.44	-106.52
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336298	0	35	-2.0	-123.07	345.56	4.35	-118.72
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336299	1	31	-2.0	-121.54	300.87	6.56	-114.98
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336300	0	31	-3.0	-193.00	305.89	3.53	-189.47
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336300	1	31	-3.0	-199.00	299.70	4.36	-194.64
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000336301	1	38	-2.0	-130.16	323.01	7.88	-122.28
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336302	0	34	-2.0	-103.13	316.51	6.53	-96.60
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336302	1	33	-3.0	-198.66	318.35	6.60	-192.06
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000336303	1	35	-2.0	-125.50	337.88	4.77	-120.73
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])O1	REAL300000336304	0	34	-2.0	-120.51	329.12	4.97	-115.54
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000336305	0	30	-2.0	-113.83	302.33	5.99	-107.84
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336306	0	33	-2.0	-132.91	323.55	6.31	-126.60
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C21	REAL300000336307	1	40	-2.0	-125.24	358.43	6.78	-118.46
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336308	0	33	-2.0	-112.71	323.45	7.08	-105.63
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336309	0	31	-2.0	-135.62	310.45	5.96	-129.66
COC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])SC=C1	REAL300000336310	0	29	-2.0	-131.50	289.88	3.54	-127.96
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336311	0	37	-2.0	-136.03	349.87	3.67	-132.36
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300000336312	0	34	-2.0	-128.96	324.49	6.36	-122.60
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000336313	0	31	-2.0	-130.01	297.47	5.65	-124.36
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=CC=C2C=C1	REAL300000336314	0	36	-2.0	-145.62	329.22	6.49	-139.13
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300000336315	0	34	-2.0	-127.13	335.40	8.16	-118.97
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C21	REAL300000336316	1	39	-2.0	-120.90	351.01	4.77	-116.13
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C(Br)S1	REAL300000336317	0	28	-2.0	-116.15	298.89	5.75	-110.40
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300000336318	0	34	-2.0	-126.17	323.12	7.99	-118.18
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC(F)=C1F	REAL300000336319	0	34	-2.0	-112.16	333.33	5.99	-106.17
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])SC2=CC=CC(F)=C12	REAL300000336320	0	34	-2.0	-130.18	325.21	7.47	-122.71
N#CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336321	0	29	-2.0	-114.99	309.83	6.26	-108.73
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1F	REAL300000336322	0	33	-2.0	-122.36	321.72	6.64	-115.72
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336323	0	30	-2.0	-130.53	300.96	4.00	-126.53
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=NC2=C1Cl	REAL300000336325	0	33	-2.0	-115.18	328.70	5.22	-109.96
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300000336326	0	28	-2.0	-128.85	287.35	6.18	-122.67
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300000336327	1	30	-2.0	-117.82	315.98	5.16	-112.66
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336328	0	28	-2.0	-115.69	283.74	4.16	-111.53
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])N=C1Cl	REAL300000336329	0	28	-2.0	-128.86	287.89	4.09	-124.77
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336330	0	36	-2.0	-129.87	326.70	3.86	-126.01
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC(Cl)=C1F	REAL300000336331	0	31	-2.0	-113.47	315.16	6.28	-107.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC(Cl)=C1F	REAL300000336331	1	30	-3.0	-191.03	316.88	6.34	-184.69
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000336332	0	29	-2.0	-132.23	283.55	3.99	-128.24
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])S2)=CS1	REAL300000336333	0	34	-2.0	-125.75	347.17	5.81	-119.94
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336334	0	29	-2.0	-114.94	289.93	3.09	-111.85
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336335	0	27	-2.0	-121.88	276.24	3.08	-118.80
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1Cl	REAL300000336336	1	34	-2.0	-117.70	335.02	6.30	-111.40
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336337	1	33	-2.0	-111.40	315.50	6.74	-104.66
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000336338	0	34	-2.0	-122.14	303.36	6.41	-115.73
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336338	1	33	-3.0	-203.98	306.21	6.44	-197.54
COCCOCCS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336339	1	35	-2.0	-121.65	320.08	2.30	-119.35
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000336340	0	35	-2.0	-144.74	332.32	3.13	-141.61
CC1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000336341	0	34	-2.0	-101.85	319.31	6.41	-95.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000336341	1	33	-3.0	-200.49	321.01	6.46	-194.03
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000336342	0	34	-2.0	-102.94	307.83	6.51	-96.43
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336342	1	33	-3.0	-186.03	311.59	6.58	-179.45
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C2F)N=C1	REAL300000336343	1	38	-2.0	-125.29	352.34	7.29	-118.00
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000336344	0	29	-2.0	-121.07	297.01	5.94	-115.13
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C(C)N1	REAL300000336345	0	41	-2.0	-125.23	363.72	5.93	-119.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336346	0	31	-2.0	-124.78	299.90	6.03	-118.75
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000336347	0	34	-2.0	-113.89	323.25	6.00	-107.89
CC1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000336348	0	37	-2.0	-123.88	327.13	6.81	-117.07
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000336348	1	36	-3.0	-207.30	329.64	6.90	-200.40
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300000336349	0	34	-2.0	-136.02	325.44	8.07	-127.95
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336350	0	34	-2.0	-127.45	332.80	2.80	-124.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000336351	0	32	-3.0	-198.12	322.73	6.91	-191.21
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000336351	1	33	-2.0	-127.56	321.02	6.85	-120.71
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000336352	0	31	-2.0	-123.26	313.03	6.75	-116.51
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1CC	REAL300000336353	1	40	-2.0	-128.88	344.86	7.83	-121.05
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336354	0	30	-3.0	-188.13	307.91	5.94	-182.19
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300000336355	0	33	-2.0	-114.74	320.75	6.58	-108.16
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000336356	0	27	-2.0	-121.82	286.67	4.70	-117.12
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336357	0	34	-2.0	-133.59	313.15	5.64	-127.95
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336358	0	33	-2.0	-116.59	318.45	4.08	-112.51
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000336359	0	27	-2.0	-112.72	293.13	4.44	-108.28
CC1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000336360	0	37	-2.0	-127.44	326.94	7.15	-120.29
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000336360	1	36	-3.0	-208.94	329.70	7.22	-201.72
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336361	0	33	-3.0	-198.94	321.49	6.51	-192.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1Cl	REAL300000336362	0	33	-3.0	-194.97	327.95	6.95	-188.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=C1Cl	REAL300000336362	1	34	-2.0	-99.48	325.15	6.50	-92.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336363	0	33	-3.0	-215.00	321.19	6.50	-208.50
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300000336364	0	28	-2.0	-112.51	294.95	5.74	-106.77
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336365	1	36	-2.0	-136.59	330.80	6.52	-130.07
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336366	0	35	-2.0	-120.60	327.47	2.86	-117.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000336367	0	33	-2.0	-132.57	318.03	6.09	-126.48
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300000336368	0	28	-2.0	-118.55	290.60	6.03	-112.52
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1Br	REAL300000336369	0	31	-2.0	-125.91	302.40	6.52	-119.39
CCC1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336370	0	37	-2.0	-123.33	328.72	6.94	-116.39
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336370	1	36	-3.0	-205.93	330.50	7.00	-198.93
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000336371	0	39	-2.0	-122.86	344.87	3.79	-119.07
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1C#N	REAL300000336374	0	32	-2.0	-134.99	304.97	6.06	-128.93
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300000336375	0	31	-2.0	-116.48	319.59	6.81	-109.67
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000336376	0	34	-2.0	-92.33	312.69	5.31	-87.02
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336376	1	33	-3.0	-184.89	316.23	5.76	-179.13
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336377	0	37	-2.0	-126.40	340.70	6.90	-119.50
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336378	0	34	-2.0	-136.59	315.20	5.99	-130.60
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000336379	0	36	-2.0	-120.89	325.75	3.01	-117.88
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300000336380	1	35	-2.0	-126.87	332.07	5.80	-121.07
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1F	REAL300000336381	0	31	-2.0	-132.88	293.53	5.97	-126.91
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336382	0	34	-2.0	-118.94	316.75	2.88	-116.06
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000336383	0	35	-2.0	-141.28	313.66	5.28	-136.00
COC1=CC=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000336384	0	38	-2.0	-130.52	344.95	5.88	-124.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000336384	1	37	-3.0	-199.89	346.65	5.94	-193.95
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336385	1	35	-2.0	-127.68	322.79	4.99	-122.69
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336386	0	33	-2.0	-124.90	306.98	2.24	-122.66
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1Cl	REAL300000336387	0	31	-2.0	-127.34	299.58	6.40	-120.94
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C(C)O1	REAL300000336389	0	31	-2.0	-122.37	290.69	4.83	-117.54
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300000336390	0	34	-2.0	-131.95	313.96	2.93	-129.02
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000336391	1	36	-2.0	-126.22	321.42	5.88	-120.34
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C2)CC1	REAL300000336392	1	41	-2.0	-125.30	366.04	7.88	-117.42
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336393	0	37	-2.0	-121.65	350.78	6.90	-114.75
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336394	0	35	-2.0	-125.16	314.31	5.29	-119.87
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000336395	0	37	-2.0	-114.76	340.91	5.56	-109.20
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336396	1	38	-2.0	-124.26	336.98	6.10	-118.16
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336397	0	31	-2.0	-126.56	299.93	5.61	-120.95
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000336398	1	31	-2.0	-121.56	293.75	3.91	-117.65
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000336399	0	36	-2.0	-143.29	321.34	7.01	-136.28
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000336400	0	34	-2.0	-129.21	316.99	7.27	-121.94
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300000336401	0	34	-2.0	-115.47	336.32	3.34	-112.13
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000336402	0	30	-2.0	-110.81	300.44	5.95	-104.86
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000336403	0	34	-2.0	-100.37	318.65	6.54	-93.83
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336403	1	33	-3.0	-194.98	322.43	7.00	-187.98
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000336404	0	28	-2.0	-116.44	290.86	5.84	-110.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C(C)O1	REAL300000336405	0	34	-2.0	-117.33	325.58	4.81	-112.52
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000336406	0	27	-2.0	-116.43	279.48	3.95	-112.48
CC1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300000336407	0	34	-2.0	-99.54	325.71	6.72	-92.82
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300000336407	1	33	-3.0	-200.19	327.40	6.77	-193.42
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])N=C1C	REAL300000336408	0	34	-2.0	-136.34	313.32	5.05	-131.29
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336409	0	31	-2.0	-124.94	305.61	6.62	-118.32
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336410	0	31	-2.0	-126.36	302.26	6.48	-119.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336411	0	34	-3.0	-202.23	324.13	6.01	-196.22
CCN1C=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336411	1	35	-2.0	-121.01	324.08	6.02	-114.99
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336412	0	31	-2.0	-124.33	307.60	3.99	-120.34
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336413	0	40	-2.0	-125.89	347.19	5.81	-120.08
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CN1C	REAL300000336414	0	38	-2.0	-128.20	350.74	6.28	-121.92
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336415	0	36	-2.0	-122.03	327.40	7.20	-114.83
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000336416	0	28	-2.0	-129.72	283.77	6.04	-123.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(Cl)=N1	REAL300000336417	0	30	-2.0	-124.74	297.61	4.58	-120.16
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336418	0	33	-2.0	-122.79	316.76	5.44	-117.35
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300000336419	0	35	-2.0	-126.18	332.77	6.44	-119.74
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000336420	1	32	-2.0	-122.10	322.91	6.73	-115.37
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336421	0	30	-2.0	-121.47	297.72	3.83	-117.64
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C12	REAL300000336422	0	35	-2.0	-114.87	328.95	2.96	-111.91
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336423	0	30	-2.0	-119.46	305.84	5.58	-113.88
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CN=C1Cl	REAL300000336425	0	31	-2.0	-114.94	308.56	3.22	-111.72
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C21	REAL300000336426	1	37	-2.0	-121.68	343.64	6.22	-115.46
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300000336427	1	40	-2.0	-124.31	352.09	6.69	-117.62
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000336428	0	30	-2.0	-114.09	302.43	4.48	-109.61
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336429	0	34	-2.0	-122.20	328.91	5.98	-116.22
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(S(=O)(=O)F)C=C1	REAL300000336430	0	31	-2.0	-123.00	313.08	2.48	-120.52
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336431	0	43	-2.0	-125.29	359.25	6.24	-119.05
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C)=C1F	REAL300000336432	1	35	-2.0	-122.17	317.38	5.38	-116.79
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(Cl)=C1	REAL300000336433	0	29	-2.0	-116.10	301.60	6.21	-109.89
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000336434	0	31	-2.0	-136.03	295.64	5.57	-130.46
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336435	0	33	-2.0	-121.81	317.68	4.11	-117.70
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000336436	0	25	-2.0	-119.83	272.09	3.98	-115.85
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300000336437	0	37	-2.0	-136.19	349.37	6.81	-129.38
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300000336438	0	37	-2.0	-136.47	342.13	4.35	-132.12
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000336439	1	36	-2.0	-120.19	327.41	7.21	-112.98
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300000336440	0	28	-2.0	-122.02	288.79	5.67	-116.35
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336444	1	40	-2.0	-126.07	359.79	7.61	-118.46
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300000336445	0	28	-2.0	-117.32	302.89	6.37	-110.95
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336446	0	28	-2.0	-118.70	296.70	5.47	-113.23
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(OC)=C1	REAL300000336447	0	38	-2.0	-126.86	350.70	5.70	-121.16
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000336448	1	31	-2.0	-131.87	301.88	6.19	-125.68
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300000336449	0	31	-2.0	-121.00	311.96	6.32	-114.68
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336450	1	31	-2.0	-122.67	310.43	6.53	-116.14
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000336451	0	31	-2.0	-120.31	305.64	4.14	-116.17
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336452	0	32	-2.0	-131.10	303.79	6.32	-124.78
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)F)=C1	REAL300000336453	0	31	-2.0	-123.55	314.30	2.36	-121.19
COC(=O)C(CS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])C1=CC=CC=C1	REAL300000336454	1	40	-2.0	-121.99	355.13	8.10	-113.89
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300000336455	0	36	-2.0	-121.08	337.16	6.54	-114.54
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C)=CS1	REAL300000336456	0	34	-2.0	-135.63	322.93	6.44	-129.19
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1F	REAL300000336457	1	32	-2.0	-118.04	303.43	4.63	-113.41
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000336458	0	27	-2.0	-132.30	280.41	5.64	-126.66
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336459	0	27	-2.0	-112.37	261.13	1.71	-110.66
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CN=C21	REAL300000336460	0	33	-2.0	-120.36	312.07	4.39	-115.97
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000336461	0	27	-2.0	-115.08	288.88	5.03	-110.05
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336463	1	36	-2.0	-125.96	334.88	3.47	-122.49
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300000336464	0	31	-2.0	-115.52	323.19	6.76	-108.76
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000336465	0	34	-2.0	-113.71	331.19	6.08	-107.63
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000336466	0	32	-2.0	-128.55	295.69	4.70	-123.85
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336467	0	29	-2.0	-118.79	301.62	6.21	-112.58
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000336468	0	31	-2.0	-120.66	311.67	4.32	-116.34
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336469	1	34	-2.0	-119.77	293.48	6.77	-113.00
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336471	1	31	-2.0	-118.23	304.49	6.64	-111.59
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300000336472	0	32	-2.0	-140.72	306.09	5.32	-135.40
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336473	0	41	-2.0	-125.03	357.90	6.72	-118.31
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300000336474	0	28	-2.0	-122.90	294.51	5.94	-116.96
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=CC=C12	REAL300000336475	0	36	-2.0	-143.66	325.59	6.43	-137.23
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336477	0	32	-2.0	-128.71	318.97	2.55	-126.16
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000336478	0	29	-2.0	-133.17	292.48	3.56	-129.61
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336479	0	31	-2.0	-122.66	292.30	2.72	-119.94
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300000336480	0	28	-2.0	-128.12	293.79	5.93	-122.19
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1OC	REAL300000336481	0	38	-2.0	-121.70	349.78	5.97	-115.73
COCCOCCOCCS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336482	1	42	-2.0	-123.57	375.56	2.63	-120.94
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])OCO2	REAL300000336483	1	34	-2.0	-120.92	309.21	4.69	-116.23
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336485	0	34	-2.0	-119.75	314.21	6.35	-113.40
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336486	0	34	-2.0	-113.27	324.15	6.69	-106.58
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336486	1	33	-3.0	-196.21	326.04	6.78	-189.43
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336487	0	38	-2.0	-123.46	338.50	5.09	-118.37
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C2CCC(=O)C2=C1	REAL300000336488	0	34	-2.0	-131.71	328.92	6.80	-124.91
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336490	0	31	-2.0	-129.29	312.66	2.75	-126.54
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336490	1	30	-3.0	-196.85	309.39	1.62	-195.23
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336491	1	35	-2.0	-124.91	328.88	4.28	-120.63
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1OC	REAL300000336492	0	36	-2.0	-122.38	339.52	5.02	-117.36
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300000336493	1	32	-2.0	-121.24	313.20	4.90	-116.34
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000336494	0	31	-2.0	-114.01	312.03	6.32	-107.69
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336495	0	33	-2.0	-130.11	324.48	0.86	-129.25
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336496	1	32	-2.0	-129.67	292.40	6.58	-123.09
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336497	1	32	-2.0	-128.50	309.97	6.42	-122.08
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000336498	0	28	-2.0	-118.33	297.57	6.33	-112.00
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336499	1	34	-2.0	-118.19	304.23	7.00	-111.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(N)=NO1	REAL300000336500	0	29	-2.0	-115.93	275.24	2.62	-113.31
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])OCC(=O)N2	REAL300000336501	0	38	-2.0	-127.86	346.68	2.27	-125.59
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336502	0	32	-2.0	-127.34	312.69	5.57	-121.77
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000336503	0	29	-2.0	-119.97	295.21	4.02	-115.95
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=NO1	REAL300000336505	1	39	-2.0	-124.35	348.96	6.04	-118.31
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336506	1	35	-2.0	-126.66	312.67	5.33	-121.33
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1Br	REAL300000336507	1	29	-2.0	-113.44	308.21	6.15	-107.29
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000336508	1	35	-2.0	-119.99	328.27	5.89	-114.10
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300000336509	0	30	-2.0	-115.63	317.58	6.49	-109.14
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336510	0	26	-2.0	-114.66	280.22	4.81	-109.85
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300000336511	0	30	-2.0	-112.12	313.87	6.37	-105.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336512	0	30	-2.0	-123.05	284.31	4.08	-118.97
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000336513	0	33	-2.0	-127.06	308.89	5.62	-121.44
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000336514	0	34	-2.0	-125.36	327.96	5.98	-119.38
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336515	0	34	-2.0	-119.05	327.02	5.94	-113.11
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336516	0	36	-2.0	-132.66	343.86	7.10	-125.56
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1C#N	REAL300000336517	1	32	-2.0	-116.95	307.69	6.14	-110.81
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000336518	0	27	-2.0	-110.50	285.45	3.94	-106.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000336519	0	32	-2.0	-128.66	302.69	4.62	-124.04
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300000336520	1	34	-2.0	-124.76	328.70	7.04	-117.72
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300000336521	1	34	-2.0	-125.31	313.44	5.77	-119.54
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000336522	1	31	-2.0	-123.70	301.89	6.19	-117.51
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000336523	1	38	-2.0	-132.12	341.92	8.67	-123.45
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])N(C)N=C1	REAL300000336525	0	31	-2.0	-118.98	284.57	3.71	-115.27
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336526	0	37	-2.0	-129.26	349.83	6.89	-122.37
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CN1C	REAL300000336527	0	40	-2.0	-125.57	369.73	6.48	-119.09
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])O1	REAL300000336529	0	26	-2.0	-116.60	271.64	3.79	-112.81
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C(F)C=C1C	REAL300000336530	0	40	-2.0	-125.43	365.86	7.44	-117.99
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000336531	0	25	-2.0	-121.53	258.81	4.16	-117.37
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336532	1	42	-2.0	-136.86	379.25	3.45	-133.41
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336533	0	39	-2.0	-135.68	351.03	4.77	-130.91
CC1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000336534	0	34	-2.0	-105.68	310.36	6.29	-99.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000336534	1	33	-3.0	-187.43	312.18	6.36	-181.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336535	0	31	-2.0	-118.72	294.89	1.95	-116.77
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000336536	0	28	-2.0	-125.04	289.93	5.84	-119.20
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336538	0	39	-2.0	-120.72	346.29	6.41	-114.31
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336539	0	37	-2.0	-127.19	345.24	8.03	-119.16
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336540	0	37	-2.0	-126.57	341.07	7.74	-118.83
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300000336541	0	31	-2.0	-121.14	309.02	7.13	-114.01
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000336542	0	31	-2.0	-128.24	304.27	6.61	-121.63
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336543	1	40	-2.0	-130.85	366.53	7.62	-123.23
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336544	0	41	-2.0	-132.78	372.50	6.63	-126.15
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1C	REAL300000336545	1	40	-2.0	-123.81	360.42	7.37	-116.44
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=C2O1	REAL300000336546	0	39	-2.0	-139.86	345.43	6.47	-133.39
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300000336547	1	32	-2.0	-112.51	324.37	6.44	-106.07
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000336548	0	31	-2.0	-130.11	294.32	3.88	-126.23
N#CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336549	0	29	-2.0	-130.05	305.49	6.05	-124.00
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336550	1	34	-2.0	-116.32	322.27	7.04	-109.28
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336551	1	35	-2.0	-128.93	319.06	5.48	-123.45
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000336552	0	28	-2.0	-125.83	290.08	6.11	-119.72
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336553	0	34	-2.0	-152.50	312.12	2.84	-149.66
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C2C=C1	REAL300000336554	1	37	-2.0	-130.13	335.01	8.20	-121.93
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000336555	0	25	-2.0	-120.96	275.69	4.71	-116.25
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336556	0	28	-2.0	-124.36	281.28	4.92	-119.44
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336557	1	41	-2.0	-129.83	364.17	5.62	-124.21
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000336558	0	25	-2.0	-120.32	266.00	2.06	-118.26
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300000336559	0	33	-2.0	-133.80	322.23	6.31	-127.49
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000336560	0	27	-2.0	-121.18	274.61	3.37	-117.81
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336561	0	35	-2.0	-121.65	336.27	5.56	-116.09
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336562	0	37	-2.0	-120.60	332.25	4.32	-116.28
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336563	0	37	-2.0	-119.84	336.89	3.81	-116.03
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000336564	0	35	-3.0	-191.80	339.43	8.01	-183.79
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300000336566	1	36	-2.0	-123.98	328.24	6.22	-117.76
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000336567	0	31	-2.0	-123.31	303.89	5.72	-117.59
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300000336568	0	31	-2.0	-128.95	319.00	7.31	-121.64
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336569	0	27	-2.0	-118.05	276.20	3.55	-114.50
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300000336570	0	30	-2.0	-120.84	308.80	7.20	-113.64
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300000336572	0	32	-2.0	-123.49	316.14	3.97	-119.52
O=C([O-])C1=C(F)C=CC=C1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000336572	1	32	-2.0	-104.39	310.37	4.78	-99.61
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300000336573	0	34	-2.0	-119.71	321.21	6.56	-113.15
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300000336574	0	30	-2.0	-115.74	316.49	5.06	-110.68
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300000336575	0	32	-2.0	-153.59	298.86	2.53	-151.06
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000336576	1	35	-2.0	-126.41	316.93	7.36	-119.05
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000336577	0	25	-2.0	-122.58	265.99	4.30	-118.28
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C2NC1=O	REAL300000336578	1	37	-2.0	-120.86	339.21	5.01	-115.85
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300000336579	0	34	-2.0	-138.66	328.54	3.68	-134.98
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C(F)(F)F)=N1	REAL300000336580	0	31	-2.0	-125.24	306.35	4.09	-121.15
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000336581	0	37	-2.0	-125.25	332.55	6.85	-118.40
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336582	0	29	-2.0	-113.36	294.42	5.69	-107.67
COC(CS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])C1=CC=CC=C1	REAL300000336583	1	38	-2.0	-122.34	338.33	5.82	-116.52
COC(=O)C1(CS(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])CCCCC1	REAL300000336584	1	43	-2.0	-125.99	353.27	6.81	-119.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300000336585	0	33	-2.0	-118.14	320.07	6.62	-111.52
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000336586	0	34	-2.0	-102.61	312.16	6.20	-96.41
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336586	1	33	-3.0	-193.26	315.71	6.65	-186.61
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300000336587	0	29	-2.0	-124.70	300.60	4.54	-120.16
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1[N+](=O)[O-]	REAL300000336588	0	32	-3.0	-217.28	319.90	7.67	-209.61
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300000336590	0	32	-2.0	-126.76	318.99	5.12	-121.64
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C2N=C1Cl	REAL300000336591	1	36	-2.0	-121.94	344.19	6.65	-115.29
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336592	0	28	-2.0	-150.90	273.07	1.19	-149.71
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C(F)C=C1C	REAL300000336593	0	37	-2.0	-125.14	343.98	6.51	-118.63
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000336594	0	28	-2.0	-115.93	300.29	5.44	-110.49
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000336595	0	33	-2.0	-130.34	304.70	2.16	-128.18
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336596	0	31	-2.0	-126.68	297.82	5.88	-120.80
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CN=C1C	REAL300000336597	0	36	-2.0	-117.64	333.95	4.60	-113.04
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000336598	0	29	-2.0	-113.80	291.11	4.11	-109.69
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336599	0	30	-2.0	-115.60	295.27	4.64	-110.96
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C(Br)N1C	REAL300000336600	0	31	-2.0	-133.86	308.33	4.70	-129.16
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300000336601	1	34	-2.0	-118.13	322.14	6.77	-111.36
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336602	1	37	-2.0	-131.14	344.66	6.69	-124.45
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300000336603	1	30	-2.0	-114.51	307.46	5.12	-109.39
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=NN1C	REAL300000336607	0	31	-2.0	-121.17	288.38	3.49	-117.68
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336608	1	32	-2.0	-126.82	298.79	6.34	-120.48
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336609	1	41	-2.0	-138.12	359.86	6.09	-132.03
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336610	0	31	-2.0	-123.48	291.09	3.61	-119.87
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336611	1	35	-2.0	-125.10	339.52	5.49	-119.61
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336612	0	28	-2.0	-114.57	283.59	3.85	-110.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300000336613	1	43	-2.0	-124.59	380.63	8.08	-116.51
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300000336615	1	33	-2.0	-122.49	314.14	2.45	-120.04
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000336616	0	28	-2.0	-121.70	283.36	2.78	-118.92
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000336617	0	34	-2.0	-121.89	314.00	5.18	-116.71
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336618	1	41	-2.0	-125.24	377.57	5.62	-119.62
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=CC=C12	REAL300000336619	0	42	-2.0	-131.83	362.18	7.42	-124.41
COC(=O)C1(CS(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])CCCC1	REAL300000336620	1	40	-2.0	-124.71	340.93	6.39	-118.32
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300000336621	1	30	-2.0	-122.98	315.87	5.17	-117.81
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000336622	0	36	-2.0	-126.92	341.49	4.90	-122.02
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300000336623	0	36	-2.0	-115.90	338.86	3.82	-112.08
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300000336624	1	35	-2.0	-132.13	323.70	5.01	-127.12
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336625	1	41	-2.0	-125.91	364.00	6.54	-119.37
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1Cl	REAL300000336626	1	32	-2.0	-119.01	313.23	5.11	-113.90
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336627	0	32	-2.0	-133.24	319.29	1.89	-131.35
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1F	REAL300000336628	0	30	-3.0	-213.57	299.81	5.84	-207.73
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000336629	0	25	-2.0	-131.38	268.17	3.19	-128.19
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000336630	0	30	-2.0	-137.08	298.91	4.68	-132.40
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000336631	1	33	-2.0	-129.61	303.52	5.09	-124.52
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000336633	0	34	-2.0	-136.67	318.23	7.57	-129.10
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300000336634	0	31	-2.0	-130.60	307.85	4.33	-126.27
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336635	0	31	-2.0	-125.49	294.27	6.77	-118.72
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300000336636	0	32	-2.0	-121.62	312.13	5.38	-116.24
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000336637	0	33	-2.0	-137.09	304.02	5.07	-132.02
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336638	0	37	-2.0	-126.69	350.12	6.74	-119.95
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300000336639	0	37	-2.0	-129.80	338.90	8.28	-121.52
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300000336640	0	32	-2.0	-122.00	322.45	5.83	-116.17
CCC(CS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])OC	REAL300000336641	1	34	-2.0	-122.27	300.05	3.91	-118.36
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336642	1	41	-2.0	-123.69	356.39	6.70	-116.99
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336643	1	40	-2.0	-123.74	339.21	5.15	-118.59
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)CCOCC1CC1	REAL300000336644	1	35	-2.0	-118.86	318.13	4.62	-114.24
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000336646	0	31	-2.0	-132.81	297.62	6.20	-126.61
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000336647	0	27	-2.0	-116.67	292.75	4.45	-112.22
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1Br	REAL300000336648	0	28	-2.0	-117.27	291.30	3.41	-113.86
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C21	REAL300000336649	0	33	-2.0	-124.78	311.56	3.70	-121.08
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])C1=CC=CC=C1	REAL300000336650	0	35	-2.0	-150.84	329.90	3.97	-146.87
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336651	0	34	-2.0	-111.86	315.48	6.31	-105.55
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000336651	1	33	-3.0	-194.12	317.34	6.39	-187.73
COC(CS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])C1CC1	REAL300000336652	1	35	-2.0	-123.11	310.52	4.64	-118.47
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336653	0	32	-2.0	-127.33	302.37	5.12	-122.21
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300000336654	1	31	-2.0	-114.68	307.33	4.35	-110.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000336655	0	36	-2.0	-123.81	330.27	7.09	-116.72
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336656	0	44	-2.0	-134.73	372.13	7.37	-127.36
COC(CS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])C1CCOCC1	REAL300000336657	1	42	-2.0	-126.25	349.55	3.92	-122.33
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000336658	0	31	-2.0	-115.36	310.97	2.49	-112.87
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336659	0	27	-2.0	-115.25	264.66	3.21	-112.04
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000336660	0	32	-2.0	-121.00	317.78	3.41	-117.59
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1Cl	REAL300000336661	1	31	-2.0	-120.06	303.19	6.35	-113.71
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000336662	1	34	-2.0	-135.50	315.80	6.24	-129.26
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C2)=N1	REAL300000336663	1	37	-2.0	-124.76	353.95	6.72	-118.04
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336664	0	37	-2.0	-131.29	348.27	6.60	-124.69
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000336665	0	30	-2.0	-132.62	302.29	6.45	-126.17
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336666	0	33	-2.0	-142.93	308.30	1.16	-141.77
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C(F)(F)F	REAL300000336667	0	30	-2.0	-113.19	305.26	5.24	-107.95
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000336668	1	31	-2.0	-118.87	309.71	3.45	-115.42
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000336669	0	27	-2.0	-129.38	268.22	3.44	-125.94
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000336672	0	27	-2.0	-114.72	269.12	3.41	-111.31
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)CCOCC1CCC1	REAL300000336673	1	38	-2.0	-118.88	334.70	5.16	-113.72
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=NC(Cl)=CC=C2S1	REAL300000336674	0	30	-2.0	-124.26	318.30	5.24	-119.02
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=CS1	REAL300000336675	0	26	-2.0	-128.42	278.11	4.65	-123.77
COC(CS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])C(C)C	REAL300000336677	1	37	-2.0	-123.10	318.03	4.25	-118.85
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000336678	1	28	-2.0	-115.82	290.30	5.82	-110.00
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000336679	0	37	-2.0	-135.84	329.41	5.62	-130.22
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300000336680	1	35	-2.0	-129.52	332.83	3.11	-126.41
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000336681	0	36	-2.0	-135.75	319.90	6.46	-129.29
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336682	0	38	-2.0	-127.00	340.65	4.15	-122.85
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000336683	0	37	-2.0	-124.76	349.82	6.91	-117.85
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])S2)C1	REAL300000336688	0	39	-2.0	-124.99	358.04	5.74	-119.25
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336689	1	43	-2.0	-128.85	377.57	7.60	-121.25
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336691	1	35	-2.0	-136.84	323.64	2.69	-134.15
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(=O)NC1=O	REAL300000336692	0	31	-2.0	-129.95	296.12	1.95	-128.00
CC(C)OC1(CS(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])CCOC1	REAL300000336693	1	42	-2.0	-123.32	343.58	4.30	-119.02
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300000336694	1	40	-2.0	-125.37	351.78	6.71	-118.66
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=C2)=N1	REAL300000336695	1	40	-2.0	-126.37	360.78	5.15	-121.22
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C	REAL300000336696	1	39	-2.0	-127.60	352.42	4.34	-123.26
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336697	0	33	-2.0	-109.23	323.45	7.09	-102.14
COC(CS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300000336698	1	38	-2.0	-121.32	348.89	6.41	-114.91
CCOC(CS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])C1CC1	REAL300000336699	1	38	-2.0	-123.72	331.13	5.62	-118.10
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300000336700	0	35	-2.0	-135.31	334.22	7.07	-128.24
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])N1C	REAL300000336701	0	31	-2.0	-123.63	287.10	4.23	-119.40
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1F	REAL300000336702	0	34	-2.0	-128.16	332.54	5.99	-122.17
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336703	1	41	-2.0	-129.59	357.75	6.91	-122.68
COC(CS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])C1CCCC1	REAL300000336704	1	41	-2.0	-126.39	341.28	6.08	-120.31
COC(CS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])C1CCCCC1	REAL300000336705	1	44	-2.0	-122.09	357.96	6.13	-115.96
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300000336706	0	41	-2.0	-123.01	368.68	7.58	-115.43
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336707	0	33	-2.0	-129.76	315.51	7.37	-122.39
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CN1CC1CC1	REAL300000336708	0	41	-2.0	-141.06	366.58	7.19	-133.87
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])O1	REAL300000336709	0	34	-2.0	-121.25	325.15	4.62	-116.63
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C2C1	REAL300000336710	1	39	-2.0	-131.56	351.49	5.76	-125.80
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000336711	0	31	-2.0	-122.92	307.46	4.76	-118.16
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(C)C	REAL300000336712	1	47	-2.0	-125.80	399.19	8.31	-117.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300000336713	1	36	-2.0	-122.57	331.38	7.59	-114.98
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(F)=C2C(=O)[O-])=CC2=CC=CC=C21	REAL300000336714	0	37	-2.0	-107.06	335.12	7.87	-99.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC2=CC=CC=C21	REAL300000336714	1	36	-3.0	-213.98	337.21	7.93	-206.05
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336715	0	31	-2.0	-111.72	308.31	3.92	-107.80
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000336716	0	27	-2.0	-121.99	285.07	3.86	-118.13
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300000336717	1	38	-2.0	-139.40	333.81	8.66	-130.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(F)=C1F	REAL300000336719	0	31	-2.0	-130.17	299.84	6.03	-124.14
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300000336720	0	27	-2.0	-122.18	289.66	3.93	-118.25
CCC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C(C)C=C1OC	REAL300000336721	1	41	-2.0	-124.62	353.94	6.82	-117.80
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=N1	REAL300000336722	0	30	-2.0	-137.62	296.07	4.15	-133.47
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C)=N1	REAL300000336723	0	40	-2.0	-123.23	355.63	6.01	-117.22
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336724	1	41	-2.0	-122.68	364.49	7.26	-115.42
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336725	0	29	-3.0	-201.13	292.38	3.95	-197.18
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336726	0	32	-2.0	-119.81	296.62	5.24	-114.57
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(C)C	REAL300000336727	1	44	-2.0	-126.49	377.69	7.51	-118.98
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336728	1	40	-2.0	-123.37	345.93	7.51	-115.86
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336729	0	29	-2.0	-114.92	294.95	5.71	-109.21
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])C1=CC=CC=C1F	REAL300000336730	0	35	-2.0	-148.15	336.56	4.17	-143.98
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1C(F)(F)F	REAL300000336731	0	31	-2.0	-118.65	300.86	3.89	-114.76
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000336732	0	30	-2.0	-124.48	290.99	4.30	-120.18
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000336732	1	30	-2.0	-137.22	290.88	4.44	-132.78
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000336733	0	32	-2.0	-134.81	301.45	5.22	-129.59
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336734	0	38	-2.0	-124.08	328.71	5.37	-118.71
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C(C)(C)C)=N1	REAL300000336735	0	40	-2.0	-120.78	333.11	5.79	-114.99
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000336737	0	38	-2.0	-124.20	335.12	5.61	-118.59
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336738	0	31	-2.0	-116.29	302.00	4.15	-112.14
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(Br)=N1	REAL300000336739	0	28	-2.0	-122.74	292.91	3.46	-119.28
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-])C1CCCCC1	REAL300000336742	0	41	-2.0	-151.97	355.35	4.66	-147.31
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000336743	0	29	-2.0	-118.72	283.90	3.01	-115.71
O=C([O-])C1=C(F)C=CC=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000336743	1	29	-2.0	-105.70	277.72	3.85	-101.85
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336744	1	38	-2.0	-126.14	344.92	8.04	-118.10
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336745	0	34	-2.0	-120.40	306.88	4.30	-116.10
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336746	0	33	-2.0	-124.43	313.50	5.74	-118.69
NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336747	0	28	-2.0	-117.70	272.92	2.61	-115.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C#N)=C1	REAL300000336748	0	32	-2.0	-132.39	307.21	6.21	-126.18
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336749	0	32	-2.0	-128.73	299.29	6.48	-122.25
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000336750	1	31	-2.0	-120.34	306.92	6.21	-114.13
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1CC	REAL300000336752	1	44	-2.0	-124.88	382.26	7.77	-117.11
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336753	1	35	-2.0	-126.92	331.47	7.21	-119.71
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336754	1	34	-2.0	-119.19	314.57	7.43	-111.76
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336755	0	28	-2.0	-115.18	286.96	1.05	-114.13
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336756	0	42	-2.0	-141.54	368.03	4.91	-136.63
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])O1	REAL300000336757	1	41	-2.0	-126.59	339.76	5.47	-121.12
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000336758	0	24	-2.0	-117.23	254.45	2.96	-114.27
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336761	0	34	-3.0	-191.65	324.38	5.61	-186.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(F)=C1C(=O)[O-]	REAL300000336761	1	35	-2.0	-115.29	321.59	5.57	-109.72
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000336762	0	32	-2.0	-120.56	307.25	0.86	-119.70
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336763	1	37	-2.0	-119.38	314.98	7.54	-111.84
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000336764	0	28	-2.0	-128.29	282.11	5.37	-122.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C(Cl)O1	REAL300000336766	0	27	-3.0	-184.95	296.28	4.79	-180.16
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000336767	0	33	-2.0	-136.29	303.95	5.76	-130.53
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336768	0	35	-2.0	-127.05	329.12	5.45	-121.60
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1F	REAL300000336769	0	29	-2.0	-128.96	293.51	5.67	-123.29
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])N=N1	REAL300000336770	0	27	-2.0	-133.88	266.66	1.58	-132.30
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336771	0	31	-2.0	-116.24	322.27	4.53	-111.71
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C21	REAL300000336772	1	42	-2.0	-123.33	363.27	5.33	-118.00
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C21	REAL300000336773	1	42	-2.0	-150.18	368.53	7.19	-142.99
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000336774	0	35	-2.0	-123.82	317.61	4.93	-118.89
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000336775	0	35	-2.0	-121.68	312.94	5.25	-116.43
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000336776	0	38	-2.0	-121.90	337.12	5.86	-116.04
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336777	0	41	-2.0	-135.03	372.50	6.62	-128.41
O=C([O-])C1=C(F)C=CC=C1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000336778	0	29	-2.0	-102.50	303.99	4.84	-97.66
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000336778	1	28	-3.0	-217.48	306.68	4.86	-212.62
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300000336779	0	33	-2.0	-130.91	319.38	4.28	-126.63
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300000336779	1	32	-3.0	-224.52	316.14	5.21	-219.31
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=NN2C1	REAL300000336780	0	39	-2.0	-130.84	342.75	3.26	-127.58
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300000336781	0	34	-2.0	-125.80	334.55	6.16	-119.64
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000336782	1	34	-2.0	-122.96	318.43	2.48	-120.48
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000336783	0	25	-2.0	-123.44	269.47	3.93	-119.51
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336784	1	32	-2.0	-115.05	313.58	4.80	-110.25
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000336785	0	35	-2.0	-129.38	312.09	5.28	-124.10
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1F	REAL300000336786	0	32	-2.0	-122.36	308.91	4.69	-117.67
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C	REAL300000336787	1	44	-2.0	-125.88	370.51	7.27	-118.61
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336788	0	38	-2.0	-130.64	342.17	6.65	-123.99
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336789	0	31	-2.0	-121.57	290.61	5.95	-115.62
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=C2O1	REAL300000336790	0	36	-2.0	-138.05	324.96	5.83	-132.22
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336791	0	36	-2.0	-123.32	336.38	4.92	-118.40
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C2)CC1	REAL300000336792	1	36	-2.0	-126.27	335.95	7.47	-118.80
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336793	0	32	-2.0	-129.42	304.19	5.92	-123.50
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300000336794	0	34	-2.0	-131.50	321.42	5.87	-125.63
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C21	REAL300000336795	1	42	-2.0	-148.26	367.27	6.89	-141.37
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000336796	0	25	-2.0	-121.59	273.14	4.69	-116.90
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336797	0	28	-2.0	-114.05	289.66	3.38	-110.67
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000336798	0	30	-2.0	-115.04	301.61	4.42	-110.62
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336799	0	33	-2.0	-141.54	309.43	4.85	-136.69
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336800	0	30	-2.0	-113.17	282.94	2.58	-110.59
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000336802	0	29	-2.0	-113.90	282.59	4.05	-109.85
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000336803	0	31	-2.0	-128.99	306.55	6.68	-122.31
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000336804	0	31	-2.0	-139.69	312.62	4.96	-134.73
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336805	0	35	-2.0	-120.44	319.65	4.97	-115.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C)=C1F	REAL300000336806	1	37	-2.0	-123.21	323.61	7.62	-115.59
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1OC	REAL300000336807	0	36	-2.0	-125.44	319.60	5.01	-120.43
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300000336808	1	37	-2.0	-134.89	336.04	2.48	-132.41
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CC=C1Br	REAL300000336809	1	29	-2.0	-113.99	308.22	6.15	-107.84
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000336810	0	31	-2.0	-129.36	297.48	5.53	-123.83
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1OC	REAL300000336811	0	36	-2.0	-135.38	327.14	5.57	-129.81
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C2CCCC2)=N1	REAL300000336812	0	41	-2.0	-129.07	356.51	6.15	-122.92
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C2=CC=CC=C2S1	REAL300000336813	0	32	-2.0	-129.52	318.56	7.19	-122.33
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C2CC2)=N1	REAL300000336814	0	35	-2.0	-125.94	323.01	5.18	-120.76
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300000336815	1	32	-2.0	-125.27	306.95	4.83	-120.44
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000336816	0	31	-2.0	-134.14	297.14	4.47	-129.67
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=CC=C21	REAL300000336817	0	33	-2.0	-145.73	312.26	3.65	-142.08
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=C21	REAL300000336818	0	35	-2.0	-125.88	308.38	7.22	-118.66
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CN=C1N	REAL300000336819	1	32	-2.0	-125.20	295.73	2.96	-122.24
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336820	0	28	-2.0	-122.94	285.01	1.13	-121.81
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000336822	0	31	-2.0	-123.20	301.43	5.64	-117.56
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C2CCC2)=N1	REAL300000336823	0	38	-2.0	-127.89	339.23	5.66	-122.23
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336824	1	46	-2.0	-128.67	381.29	9.15	-119.52
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000336825	0	25	-2.0	-120.92	273.55	4.79	-116.13
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000336826	0	38	-2.0	-124.58	341.70	5.91	-118.67
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000336827	0	32	-2.0	-129.63	305.83	6.36	-123.27
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300000336828	0	39	-2.0	-131.08	366.23	8.07	-123.01
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336829	1	41	-2.0	-134.49	357.50	3.66	-130.83
COC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000336830	0	37	-2.0	-152.08	333.13	6.46	-145.62
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336831	1	37	-2.0	-127.99	332.10	7.46	-120.53
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336832	0	34	-2.0	-117.71	323.99	3.59	-114.12
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336833	0	29	-2.0	-126.63	292.22	5.61	-121.02
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336834	0	35	-2.0	-124.88	313.40	4.79	-120.09
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000336835	0	32	-2.0	-110.77	324.15	6.60	-104.17
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336837	1	34	-2.0	-126.07	297.84	6.93	-119.14
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336838	0	37	-2.0	-117.92	314.75	5.15	-112.77
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336839	0	37	-2.0	-124.18	332.20	4.96	-119.22
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000336840	0	35	-2.0	-124.16	316.29	4.35	-119.81
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=CN=C1C(F)(F)F	REAL300000336841	0	33	-2.0	-115.16	318.63	5.08	-110.08
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336842	0	39	-2.0	-123.74	341.98	6.07	-117.67
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C([N+](=O)[O-])=C1	REAL300000336843	0	30	-2.0	-107.61	306.73	6.00	-101.61
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300000336844	0	31	-2.0	-115.28	312.86	6.33	-108.95
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000336845	1	31	-2.0	-124.47	295.70	6.07	-118.40
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000336846	0	28	-2.0	-122.34	289.25	5.64	-116.70
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000336847	0	28	-2.0	-116.08	299.45	5.36	-110.72
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336848	0	31	-2.0	-118.91	288.88	3.52	-115.39
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300000336850	1	31	-2.0	-114.22	319.61	6.68	-107.54
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1C	REAL300000336851	1	34	-2.0	-126.37	300.21	6.56	-119.81
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000336852	0	31	-2.0	-124.25	295.50	6.29	-117.96
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336853	1	39	-2.0	-135.84	352.29	7.29	-128.55
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C21	REAL300000336855	1	38	-2.0	-128.91	347.95	6.94	-121.97
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300000336856	1	34	-2.0	-120.26	330.16	6.29	-113.97
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336857	0	33	-2.0	-119.98	326.50	5.73	-114.25
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336858	1	37	-2.0	-126.01	346.13	6.91	-119.10
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1Cl	REAL300000336859	0	29	-2.0	-124.05	300.33	6.10	-117.95
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300000336860	0	37	-2.0	-134.20	341.83	5.23	-128.97
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000336861	0	28	-2.0	-123.25	287.29	5.49	-117.76
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000336862	1	35	-2.0	-128.04	316.94	7.36	-120.68
COC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=CS1	REAL300000336863	0	29	-2.0	-128.64	289.97	3.70	-124.94
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300000336864	0	31	-2.0	-120.87	298.70	6.68	-114.19
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336865	0	34	-2.0	-120.55	332.68	5.57	-114.98
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000336866	0	35	-2.0	-130.60	322.43	7.42	-123.18
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000336867	0	38	-2.0	-122.29	332.53	5.85	-116.44
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336868	0	37	-2.0	-120.84	327.64	5.15	-115.69
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336869	1	37	-2.0	-130.95	338.92	2.77	-128.18
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336871	0	31	-2.0	-134.05	321.65	1.75	-132.30
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C2=N1	REAL300000336872	0	33	-2.0	-136.76	311.31	3.61	-133.15
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])O1	REAL300000336873	0	31	-2.0	-125.98	293.79	4.85	-121.13
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000336874	0	28	-2.0	-118.14	291.57	4.47	-113.67
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336875	0	32	-2.0	-119.24	308.66	5.17	-114.07
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C2CCOCC2)=N1	REAL300000336876	0	42	-2.0	-125.38	366.05	4.39	-120.99
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336877	1	34	-2.0	-126.68	320.92	6.79	-119.89
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000336878	1	32	-2.0	-125.51	306.97	4.84	-120.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336880	0	29	-2.0	-122.23	291.51	3.70	-118.53
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C2=NC=CC=C12	REAL300000336881	0	39	-2.0	-144.30	339.13	7.55	-136.75
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000336883	0	31	-2.0	-119.13	300.38	3.95	-115.18
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336884	1	38	-2.0	-127.90	344.63	5.94	-121.96
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1Cl	REAL300000336885	0	31	-2.0	-119.93	319.38	4.71	-115.22
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336886	0	38	-2.0	-122.92	347.39	6.45	-116.47
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000336887	0	41	-2.0	-123.76	354.10	6.19	-117.57
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300000336888	1	39	-2.0	-123.29	356.39	8.11	-115.18
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000336889	0	31	-2.0	-125.16	288.25	6.22	-118.94
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336890	1	40	-2.0	-128.08	357.18	7.93	-120.15
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000336891	0	31	-2.0	-130.05	293.22	5.65	-124.40
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000336892	1	30	-2.0	-127.75	298.65	4.65	-123.10
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=N1	REAL300000336893	0	30	-2.0	-123.31	288.42	2.12	-121.19
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1Cl	REAL300000336894	0	31	-2.0	-118.68	309.37	4.18	-114.50
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300000336895	0	30	-2.0	-120.44	308.72	4.54	-115.90
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300000336896	0	33	-2.0	-137.25	324.18	6.43	-130.82
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000336897	0	25	-2.0	-119.29	267.46	3.87	-115.42
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300000336898	0	33	-2.0	-135.05	320.91	6.23	-128.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C2=CC=CC=C12	REAL300000336899	1	37	-2.0	-136.44	326.49	8.10	-128.34
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300000336900	1	35	-2.0	-125.02	325.63	5.62	-119.40
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C21	REAL300000336901	1	42	-2.0	-121.79	371.86	6.73	-115.06
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000336902	0	28	-2.0	-120.88	295.23	5.87	-115.01
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])O1	REAL300000336903	0	34	-2.0	-139.61	331.34	1.55	-138.06
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300000336904	0	38	-2.0	-129.58	343.41	6.61	-122.97
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000336906	0	32	-2.0	-126.17	311.52	6.58	-119.59
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000336907	0	31	-2.0	-113.16	313.17	6.07	-107.09
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300000336909	0	24	-2.0	-113.61	271.64	3.67	-109.94
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000336910	1	38	-2.0	-124.84	354.37	7.15	-117.69
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1OC	REAL300000336911	0	33	-2.0	-123.21	320.64	3.26	-119.95
O=C([O-])C1=C(F)C=CC=C1NS(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000336912	0	29	-2.0	-90.76	301.47	3.86	-86.90
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000336912	1	28	-3.0	-186.48	304.29	4.29	-182.19
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000336913	0	27	-2.0	-110.02	285.34	3.90	-106.12
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300000336914	0	32	-2.0	-123.66	318.80	5.94	-117.72
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300000336915	1	32	-2.0	-124.02	313.18	4.90	-119.12
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336916	0	34	-2.0	-125.10	311.11	5.26	-119.84
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])=CC=C21	REAL300000336917	1	35	-2.0	-134.10	321.43	7.02	-127.08
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300000336918	0	31	-2.0	-126.54	298.40	6.66	-119.88
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300000336919	0	25	-2.0	-113.51	292.78	5.35	-108.16
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1Cl	REAL300000336920	0	28	-2.0	-118.28	287.60	3.30	-114.98
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336921	0	41	-2.0	-128.01	361.43	7.69	-120.32
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300000336922	0	33	-2.0	-123.23	319.16	5.89	-117.34
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300000336923	1	39	-2.0	-128.70	358.14	8.17	-120.53
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336924	0	34	-2.0	-135.27	304.30	7.05	-128.22
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])OC=C1	REAL300000336925	0	26	-2.0	-122.34	271.87	3.70	-118.64
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300000336926	1	33	-2.0	-121.12	322.57	3.83	-117.29
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300000336927	0	29	-2.0	-126.47	309.21	4.05	-122.42
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336928	0	37	-2.0	-128.72	348.67	4.33	-124.39
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])S1	REAL300000336928	1	36	-3.0	-198.21	345.38	3.21	-195.00
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336929	0	30	-2.0	-113.87	295.46	4.65	-109.22
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336930	1	39	-2.0	-129.55	351.04	6.87	-122.68
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C2CC2)=N1	REAL300000336931	0	38	-2.0	-126.45	344.51	6.04	-120.41
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C2=NSN=C2C=C1	REAL300000336932	0	32	-2.0	-132.07	305.72	4.60	-127.47
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300000336933	1	34	-2.0	-124.14	330.35	8.03	-116.11
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(=O)NC(=O)N1	REAL300000336934	0	31	-2.0	-124.62	290.57	1.32	-123.30
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C(Cl)S1	REAL300000336936	0	31	-2.0	-128.15	324.03	6.17	-121.98
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336937	0	41	-2.0	-123.92	354.48	6.45	-117.47
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000336938	0	25	-2.0	-120.60	266.48	3.75	-116.85
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000336939	0	25	-2.0	-118.58	276.52	4.77	-113.81
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336940	0	42	-2.0	-132.90	372.53	5.55	-127.35
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300000336941	0	34	-2.0	-129.63	326.56	8.10	-121.53
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336942	0	36	-2.0	-122.40	320.00	2.99	-119.41
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000336943	1	35	-2.0	-128.09	311.26	7.42	-120.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C)=N1	REAL300000336947	0	34	-2.0	-118.33	310.56	2.69	-115.64
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336948	0	34	-2.0	-130.27	315.12	3.07	-127.20
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300000336949	1	43	-2.0	-123.89	369.59	5.64	-118.25
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336950	0	31	-2.0	-122.88	310.43	2.92	-119.96
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C	REAL300000336951	0	34	-2.0	-120.25	315.03	2.67	-117.58
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=N1	REAL300000336952	0	37	-2.0	-122.86	335.13	5.35	-117.51
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336953	0	37	-2.0	-124.38	331.32	4.98	-119.40
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300000336954	0	27	-2.0	-121.49	295.05	3.23	-118.26
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=CO1	REAL300000336955	0	26	-2.0	-125.21	270.69	3.66	-121.55
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])SC=C1	REAL300000336956	0	26	-2.0	-120.11	279.76	4.60	-115.51
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336958	0	34	-2.0	-120.23	309.41	4.52	-115.71
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C	REAL300000336959	0	36	-2.0	-117.61	334.49	4.63	-112.98
O=C([O-])C1=C(F)C=CC=C1NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000336960	0	38	-2.0	-112.04	340.68	7.64	-104.40
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000336960	1	37	-3.0	-191.88	342.30	7.70	-184.18
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336961	0	31	-2.0	-129.61	307.01	7.02	-122.59
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000336962	0	35	-2.0	-119.51	319.92	5.39	-114.12
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000336963	0	35	-2.0	-127.51	319.66	6.47	-121.04
COC1=NOC(CS(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336964	0	31	-2.0	-116.01	298.77	1.60	-114.41
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=NN1C(C)C	REAL300000336965	0	37	-2.0	-122.27	330.79	5.06	-117.21
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300000336966	1	35	-2.0	-130.75	327.59	7.46	-123.29
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000336967	0	30	-2.0	-125.29	296.96	4.36	-120.93
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(S(=O)(=O)F)=CS1	REAL300000336968	0	28	-2.0	-121.69	307.12	1.38	-120.31
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300000336970	1	35	-2.0	-125.60	329.21	7.49	-118.11
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300000336971	0	32	-2.0	-128.53	318.16	5.72	-122.81
O=C([O-])C1=C(F)C=CC=C1NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000336972	0	38	-2.0	-111.12	338.63	7.63	-103.49
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000336972	1	37	-3.0	-207.00	340.26	7.68	-199.32
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000336973	1	29	-2.0	-127.15	278.73	2.40	-124.75
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000336974	0	31	-2.0	-129.42	305.38	6.19	-123.23
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000336975	0	24	-2.0	-115.04	253.36	2.85	-112.19
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000336976	0	32	-2.0	-139.80	315.77	4.51	-135.29
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300000336977	1	35	-2.0	-134.37	323.54	7.55	-126.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000336978	0	31	-2.0	-124.14	314.75	6.86	-117.28
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300000336979	0	32	-2.0	-120.50	319.19	5.11	-115.39
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300000336980	0	35	-2.0	-126.73	335.61	6.31	-120.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C(C(F)F)=C1	REAL300000336981	0	35	-2.0	-129.10	316.86	5.81	-123.29
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C1C(=O)OC	REAL300000336982	1	41	-2.0	-123.84	371.66	6.87	-116.97
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3C(=O)[O-])C=C2C1	REAL300000336983	1	41	-2.0	-131.35	367.02	7.78	-123.57
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)[O-]	REAL300000336984	0	34	-2.0	-121.36	332.81	3.41	-117.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C2=NC=CC=C12	REAL300000336985	0	36	-2.0	-144.00	325.44	6.42	-137.58
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000336986	0	33	-3.0	-187.02	314.49	5.69	-181.33
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336987	0	41	-2.0	-136.75	357.17	7.25	-129.50
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])C=C(Cl)S1	REAL300000336988	0	28	-2.0	-116.05	294.26	5.64	-110.41
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000336989	0	24	-2.0	-119.91	254.30	2.37	-117.54
O=C([O-])C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000336990	0	35	-2.0	-124.59	313.43	4.56	-120.03
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)[O-])=C1	REAL300000336991	0	31	-2.0	-131.58	294.61	5.98	-125.60
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000336992	1	41	-2.0	-130.50	362.70	5.97	-124.53
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000336993	1	38	-2.0	-133.09	347.27	5.19	-127.90
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C1	REAL300000336994	1	37	-2.0	-128.80	328.40	4.38	-124.42
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1	REAL300000336996	0	32	-2.0	-137.58	300.98	4.82	-132.76
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000336997	0	35	-2.0	-95.71	324.18	4.19	-91.52
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000336997	1	34	-3.0	-191.10	325.94	4.25	-186.85
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000336998	0	31	-2.0	-118.39	304.34	3.17	-115.22
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C1	REAL300000336999	1	33	-2.0	-124.41	313.28	4.94	-119.47
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=C1	REAL300000337000	1	33	-2.0	-119.94	313.30	4.93	-115.01
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000337001	0	32	-2.0	-126.24	314.71	5.12	-121.12
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1	REAL300000337002	0	32	-2.0	-128.11	308.96	5.24	-122.87
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C(NC(C)=O)=C2)=C1	REAL300000337003	1	43	-2.0	-147.13	376.54	2.87	-144.26
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300000337004	1	36	-2.0	-120.84	338.48	4.33	-116.51
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000337005	0	35	-2.0	-102.50	323.66	5.06	-97.44
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000337005	1	34	-3.0	-202.60	325.47	5.13	-197.47
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C(C)=C(C)C(C)=C2C)=C1	REAL300000337006	1	47	-2.0	-134.76	369.57	7.72	-127.04
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1	REAL300000337007	1	41	-2.0	-130.30	355.30	4.48	-125.82
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300000337008	0	37	-2.0	-127.21	336.69	5.73	-121.48
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Br)S2)=C1	REAL300000337009	0	29	-2.0	-121.20	306.09	4.27	-116.93
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(C(C)(C)C)C=C2C)=C1	REAL300000337010	1	50	-2.0	-130.37	398.82	8.53	-121.84
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000337011	1	48	-2.0	-129.53	394.32	8.34	-121.19
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300000337012	1	35	-2.0	-120.39	331.21	5.54	-114.85
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1	REAL300000337013	1	42	-2.0	-133.14	355.19	7.03	-126.11
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000337014	0	35	-2.0	-100.94	319.10	5.04	-95.90
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000337014	1	34	-3.0	-190.44	320.94	5.11	-185.33
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(OC)=CC=C2OC)=C1	REAL300000337015	0	40	-2.0	-137.79	350.22	3.62	-134.17
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C(OC)=C2)=C1	REAL300000337016	1	40	-2.0	-128.18	351.23	3.75	-124.43
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1	REAL300000337017	1	39	-2.0	-133.21	338.00	6.44	-126.77
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)ON=C2C)=C1	REAL300000337018	0	34	-2.0	-118.56	307.40	3.46	-115.10
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1	REAL300000337019	1	32	-2.0	-119.22	324.39	5.52	-113.70
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000337020	0	35	-2.0	-115.93	319.27	5.03	-110.90
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000337020	1	34	-3.0	-206.92	320.94	5.10	-201.82
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300000337021	1	32	-2.0	-117.69	305.18	4.66	-113.03
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1	REAL300000337022	0	32	-2.0	-123.55	322.34	5.62	-117.93
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300000337023	1	35	-2.0	-124.96	331.21	5.54	-119.42
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2)=C1	REAL300000337024	1	35	-2.0	-131.21	313.88	5.21	-126.00
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1	REAL300000337026	0	35	-2.0	-131.03	317.09	5.89	-125.14
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300000337027	1	32	-2.0	-125.59	309.21	5.06	-120.53
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)=C1	REAL300000337028	1	37	-2.0	-127.79	332.96	4.93	-122.86
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC=C2C)=C1	REAL300000337029	1	38	-2.0	-130.26	329.37	5.98	-124.28
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)=C1	REAL300000337030	1	38	-2.0	-132.64	330.90	5.74	-126.90
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1	REAL300000337031	1	32	-2.0	-118.10	315.07	5.11	-112.99
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)=C1	REAL300000337032	1	37	-2.0	-140.12	332.97	4.92	-135.20
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C=C2C)=C1	REAL300000337033	1	38	-2.0	-129.61	329.38	5.98	-123.63
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337034	0	41	-2.0	-123.30	369.10	6.13	-117.17
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1	REAL300000337035	0	32	-2.0	-126.55	320.80	5.56	-120.99
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C([N+](=O)[O-])=C2)=C1	REAL300000337036	1	38	-2.0	-125.72	348.01	5.29	-120.43
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300000337037	1	44	-2.0	-130.39	368.69	6.85	-123.54
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)C)C=C2)=C1	REAL300000337038	1	41	-2.0	-130.10	352.71	6.46	-123.64
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337039	1	44	-2.0	-129.68	371.16	7.12	-122.56
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000337040	0	38	-3.0	-209.06	349.08	4.90	-204.16
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000337040	1	39	-2.0	-109.32	346.43	4.39	-104.93
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000337041	0	39	-2.0	-99.16	350.69	6.33	-92.83
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000337041	1	38	-3.0	-187.85	352.41	6.40	-181.45
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300000337042	0	29	-2.0	-120.97	301.46	4.16	-116.81
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337043	1	41	-2.0	-129.54	356.89	6.76	-122.78
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2OC)=C1	REAL300000337044	0	36	-2.0	-136.74	320.74	4.33	-132.41
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000337045	0	38	-2.0	-103.19	335.07	5.56	-97.63
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000337045	1	37	-3.0	-209.30	336.97	5.63	-203.67
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(NC(C)=O)=CC=C2OC)=C1	REAL300000337046	0	43	-2.0	-138.25	376.81	3.22	-135.03
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1	REAL300000337047	0	32	-2.0	-124.09	310.54	4.73	-119.36
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1	REAL300000337048	0	32	-2.0	-119.75	325.94	5.57	-114.18
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1	REAL300000337049	0	32	-2.0	-129.53	305.61	5.10	-124.43
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1	REAL300000337050	1	32	-2.0	-125.62	313.77	5.17	-120.45
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300000337051	0	34	-2.0	-125.44	320.70	5.21	-120.23
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)=C1	REAL300000337052	0	37	-2.0	-122.23	336.18	5.98	-116.25
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=C1	REAL300000337053	0	34	-2.0	-118.64	333.15	5.59	-113.05
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000337054	0	29	-2.0	-127.53	284.41	3.54	-123.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337055	1	36	-2.0	-127.48	321.98	3.84	-123.64
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300000337056	0	34	-2.0	-142.34	311.00	5.91	-136.43
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C=C2)=C1	REAL300000337057	1	35	-2.0	-130.52	313.90	5.21	-125.31
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337058	1	39	-2.0	-127.29	343.82	4.76	-122.53
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1	REAL300000337059	0	32	-2.0	-125.12	304.38	4.67	-120.45
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300000337060	0	32	-2.0	-125.79	298.88	4.61	-121.18
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1	REAL300000337061	0	32	-2.0	-118.87	305.29	4.68	-114.19
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)=C1	REAL300000337062	1	44	-2.0	-131.82	356.56	7.29	-124.53
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300000337063	1	38	-2.0	-130.46	336.96	3.70	-126.76
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(C)C=C2C)=C1	REAL300000337064	1	41	-2.0	-130.87	344.32	6.90	-123.97
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)=C1	REAL300000337065	1	47	-2.0	-131.90	384.17	7.64	-124.26
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300000337066	1	32	-2.0	-122.23	309.20	5.06	-117.17
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1	REAL300000337067	1	32	-2.0	-122.30	313.77	5.17	-117.13
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300000337068	0	34	-2.0	-115.65	320.71	5.21	-110.44
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000337069	1	32	-2.0	-130.02	292.47	4.54	-125.48
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2)=C1	REAL300000337070	1	39	-2.0	-134.72	348.56	3.43	-131.29
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)S2)=C1	REAL300000337071	0	32	-2.0	-128.91	306.30	4.34	-124.57
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000337072	0	41	-2.0	-108.23	350.24	6.02	-102.21
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000337072	1	40	-3.0	-205.00	353.61	6.44	-198.56
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2OC)=C1	REAL300000337073	0	36	-2.0	-128.78	337.47	4.85	-123.93
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000337074	0	34	-3.0	-201.25	326.41	5.16	-196.09
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1	REAL300000337075	0	29	-2.0	-118.47	315.32	4.69	-113.78
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCC(C)C)C=C2)=C1	REAL300000337076	1	47	-2.0	-129.39	395.95	8.04	-121.35
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=C1	REAL300000337077	0	37	-2.0	-125.25	330.72	5.82	-119.43
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1	REAL300000337078	0	32	-2.0	-128.14	304.37	4.67	-123.47
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000337079	0	41	-2.0	-98.29	362.92	6.62	-91.67
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000337079	1	40	-3.0	-186.99	364.52	6.68	-180.31
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337080	1	42	-2.0	-134.45	369.12	4.25	-130.20
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1	REAL300000337081	1	36	-2.0	-123.15	328.22	1.36	-121.79
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(SC)C=C2)=C1	REAL300000337082	1	36	-2.0	-127.69	332.69	5.56	-122.13
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1	REAL300000337083	1	37	-2.0	-124.86	334.50	3.00	-121.86
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000337084	1	40	-2.0	-126.09	352.30	3.73	-122.36
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1OCC	REAL300000337085	1	46	-2.0	-128.78	394.91	5.59	-123.19
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)=C1	REAL300000337086	1	37	-2.0	-124.55	340.74	4.72	-119.83
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000337087	0	31	-3.0	-199.17	314.13	4.11	-195.06
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1	REAL300000337088	1	35	-2.0	-122.56	324.22	2.04	-120.52
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000337089	0	38	-2.0	-100.01	332.64	5.79	-94.22
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000337089	1	37	-3.0	-202.37	336.37	5.88	-196.49
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)=C1	REAL300000337090	0	38	-2.0	-127.61	329.17	3.57	-124.04
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)=C1	REAL300000337091	0	40	-2.0	-122.79	353.46	6.57	-116.22
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337092	0	38	-2.0	-123.70	347.26	5.20	-118.50
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337093	0	39	-2.0	-128.11	348.93	2.82	-125.29
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)=C1	REAL300000337094	0	37	-2.0	-130.19	346.68	-0.51	-130.70
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)=C1	REAL300000337095	1	43	-2.0	-137.19	370.27	5.67	-131.52
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=C1	REAL300000337096	1	36	-2.0	-127.87	327.00	1.32	-126.55
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)CCN3C(C)=O)=C1	REAL300000337097	1	43	-2.0	-139.44	373.06	5.66	-133.78
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337098	1	38	-2.0	-130.04	335.38	5.97	-124.07
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300000337099	1	38	-2.0	-134.39	338.42	6.82	-127.57
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=CS1	REAL300000337100	0	35	-2.0	-138.99	332.06	4.84	-134.15
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337101	1	42	-2.0	-128.62	369.05	5.05	-123.57
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000337102	0	39	-2.0	-99.17	350.25	5.32	-93.85
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000337102	1	38	-3.0	-186.87	352.01	5.38	-181.49
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1C	REAL300000337103	1	46	-2.0	-131.37	397.53	4.78	-126.59
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=C1	REAL300000337104	1	43	-2.0	-132.81	376.69	8.66	-124.15
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC(C)C)C=C2)=C1	REAL300000337105	1	44	-2.0	-129.90	373.69	7.22	-122.68
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1	REAL300000337106	1	32	-2.0	-121.15	298.88	4.61	-116.54
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2F)=C1	REAL300000337107	0	32	-2.0	-135.04	297.97	4.60	-130.44
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)=C1	REAL300000337108	0	37	-2.0	-123.72	347.61	3.54	-120.18
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C1	REAL300000337109	1	37	-2.0	-124.47	334.86	5.05	-119.42
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)=C1	REAL300000337110	0	40	-2.0	-148.43	353.83	5.81	-142.62
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337111	1	42	-2.0	-126.69	365.32	5.57	-121.12
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)=C1	REAL300000337112	0	35	-2.0	-129.67	327.02	5.77	-123.90
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1	REAL300000337113	0	36	-2.0	-131.99	337.24	4.81	-127.18
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=C1	REAL300000337114	1	38	-2.0	-125.31	343.22	1.77	-123.54
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)=C1	REAL300000337115	0	37	-2.0	-134.44	346.72	-0.50	-134.94
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)=C1	REAL300000337116	1	40	-2.0	-125.43	355.31	4.97	-120.46
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C=C2[N+](=O)[O-])=C1	REAL300000337117	0	38	-2.0	-137.84	343.02	5.26	-132.58
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)=C1	REAL300000337118	0	39	-2.0	-122.10	358.32	3.80	-118.30
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000337119	1	37	-2.0	-121.32	340.31	6.04	-115.28
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)=C1	REAL300000337120	1	38	-2.0	-124.45	346.59	4.50	-119.95
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000337121	1	36	-2.0	-123.32	338.47	4.33	-118.99
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=C1	REAL300000337122	0	38	-2.0	-135.93	353.17	2.06	-133.87
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C=C2C)=C1	REAL300000337123	1	35	-2.0	-120.30	314.36	5.38	-114.92
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300000337124	0	32	-2.0	-120.32	312.01	5.17	-115.15
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=C1	REAL300000337125	0	44	-2.0	-136.00	378.41	3.87	-132.13
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2F)=C1	REAL300000337126	0	39	-2.0	-144.63	354.32	3.49	-141.14
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=C1	REAL300000337127	1	38	-2.0	-139.92	353.18	2.06	-137.86
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)=C1	REAL300000337128	1	41	-2.0	-131.93	366.68	7.24	-124.69
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C=C2F)=C1	REAL300000337130	0	40	-2.0	-130.40	356.69	3.81	-126.59
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C=C2C)=C1	REAL300000337131	1	43	-2.0	-126.94	366.65	4.51	-122.43
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000337132	0	35	-3.0	-204.58	327.59	4.45	-200.13
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000337132	1	36	-2.0	-113.52	327.45	4.44	-109.08
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=C1	REAL300000337133	0	32	-2.0	-136.20	309.95	4.10	-132.10
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=C1	REAL300000337134	0	37	-2.0	-126.02	334.42	0.70	-125.32
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000337135	0	39	-2.0	-101.30	341.38	3.84	-97.46
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000337135	1	38	-3.0	-201.69	344.72	3.93	-197.76
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337136	0	38	-2.0	-129.42	360.34	5.76	-123.66
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337137	1	43	-2.0	-129.00	377.44	4.04	-124.96
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C(Cl)=C2)=C1	REAL300000337138	1	36	-2.0	-125.19	337.99	4.40	-120.79
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2)=C1	REAL300000337139	1	36	-2.0	-124.95	328.19	3.91	-121.04
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C(C)=C2)=C1	REAL300000337140	1	39	-2.0	-128.95	342.05	4.58	-124.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1C	REAL300000337141	1	42	-2.0	-128.72	363.91	5.51	-123.21
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)=C1	REAL300000337142	1	39	-2.0	-123.17	343.06	1.99	-121.18
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C(C(N)=O)=C2)=C1	REAL300000337143	1	40	-2.0	-124.62	354.29	1.92	-122.70
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2)=C1	REAL300000337144	0	32	-2.0	-125.02	297.03	2.25	-122.77
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)=C1	REAL300000337145	0	37	-2.0	-114.81	336.18	5.99	-108.82
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=CN1C	REAL300000337146	0	40	-2.0	-127.00	356.36	2.20	-124.80
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)=C1	REAL300000337147	1	35	-2.0	-124.19	324.69	5.83	-118.36
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCC(C)C)C=C2)=C1	REAL300000337148	1	45	-2.0	-126.81	385.42	6.26	-120.55
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3=CC=C(C)C=C3)N=C2)=C1	REAL300000337149	0	42	-2.0	-127.70	374.45	6.34	-121.36
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C1	REAL300000337150	1	39	-2.0	-119.70	351.99	4.96	-114.74
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)=C1	REAL300000337151	1	43	-2.0	-127.67	367.97	4.67	-123.00
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(OC)C(C)=C2)=C1	REAL300000337152	1	42	-2.0	-129.86	366.07	5.43	-124.43
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)=C1	REAL300000337153	0	40	-2.0	-128.19	356.02	4.39	-123.80
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000337154	0	34	-3.0	-194.70	330.05	4.78	-189.92
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=C1	REAL300000337155	1	33	-2.0	-116.40	328.70	5.35	-111.05
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=C1	REAL300000337156	1	33	-2.0	-116.95	328.73	5.34	-111.61
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000337157	0	41	-2.0	-100.55	349.12	6.36	-94.19
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000337157	1	40	-3.0	-204.58	352.40	6.42	-198.16
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C1	REAL300000337158	1	36	-2.0	-133.66	330.84	4.91	-128.75
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C3=NC=CC=C23)=C1	REAL300000337159	1	41	-2.0	-132.24	357.78	4.32	-127.92
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)=C1	REAL300000337160	1	35	-2.0	-126.76	327.95	5.65	-121.11
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1	REAL300000337161	0	32	-2.0	-131.56	314.14	5.10	-126.46
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(C)C)C(C)=C2)=C1	REAL300000337162	1	45	-2.0	-129.07	381.83	6.13	-122.94
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2OC)=C1	REAL300000337163	0	38	-2.0	-121.90	348.95	5.00	-116.90
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C3=CC=CC=C32)=C1	REAL300000337164	1	42	-2.0	-136.87	361.84	6.20	-130.67
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=C1	REAL300000337165	1	35	-2.0	-126.65	319.21	5.24	-121.41
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)=C1	REAL300000337166	1	35	-2.0	-121.43	324.69	5.82	-115.61
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=C1	REAL300000337167	0	35	-2.0	-135.61	319.37	5.27	-130.34
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)=C1	REAL300000337168	1	35	-2.0	-123.98	314.36	5.38	-118.60
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=C1	REAL300000337169	0	37	-2.0	-141.93	330.87	6.89	-135.04
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)=C1	REAL300000337170	0	40	-2.0	-130.74	357.79	3.79	-126.95
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)=C1	REAL300000337171	1	42	-2.0	-144.66	361.76	4.23	-140.43
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000337172	1	46	-2.0	-126.96	387.13	6.76	-120.20
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCCC(C)C)C=C2)=C1	REAL300000337173	1	48	-2.0	-126.61	404.38	6.87	-119.74
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337174	1	42	-2.0	-130.12	378.32	5.46	-124.66
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000337175	0	31	-3.0	-201.02	312.59	4.14	-196.88
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000337175	1	32	-2.0	-101.50	312.15	4.11	-97.39
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC(C)=C2Cl)=C1	REAL300000337176	0	35	-2.0	-130.28	334.82	6.43	-123.85
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2C)=C1	REAL300000337177	1	41	-2.0	-137.60	368.66	2.84	-134.76
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000337178	0	39	-2.0	-122.50	346.38	5.10	-117.40
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000337178	1	38	-3.0	-213.28	348.24	5.17	-208.11
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)C=CS2)=C1	REAL300000337179	0	29	-2.0	-123.93	304.78	4.10	-119.83
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=CC=C1O	REAL300000337180	1	39	-2.0	-123.96	356.08	3.23	-120.73
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCNC(C)=O)C=C2)=C1	REAL300000337181	1	45	-2.0	-137.25	396.17	4.33	-132.92
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1	REAL300000337182	0	34	-2.0	-133.96	319.99	6.03	-127.93
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000337183	0	44	-2.0	-107.76	372.08	6.68	-101.08
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000337183	1	43	-3.0	-205.46	374.16	7.08	-198.38
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300000337184	1	42	-2.0	-131.03	366.67	7.95	-123.08
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337185	1	43	-2.0	-139.58	383.23	4.21	-135.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C(C)=C1	REAL300000337186	1	39	-2.0	-126.97	337.43	4.61	-122.36
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(OC)C=C2C)=C1	REAL300000337187	1	42	-2.0	-127.81	357.09	5.36	-122.45
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)=C1	REAL300000337188	1	43	-2.0	-140.26	380.53	4.52	-135.74
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC=C2O)=C1	REAL300000337189	0	36	-2.0	-134.42	323.58	2.90	-131.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(OC)=CC=C1C(=O)[O-]	REAL300000337190	0	41	-2.0	-106.38	347.73	6.18	-100.20
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)[O-]	REAL300000337190	1	40	-3.0	-196.59	346.60	6.64	-189.95
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1	REAL300000337191	0	35	-2.0	-133.97	332.00	5.45	-128.52
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000337192	0	41	-3.0	-216.49	371.37	5.66	-210.83
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000337192	1	42	-2.0	-104.76	371.27	5.64	-99.12
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000337193	0	37	-3.0	-181.68	347.65	5.59	-176.09
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000337193	1	36	-4.0	-299.70	349.35	5.66	-294.04
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])S1	REAL300000337194	0	35	-2.0	-121.50	340.36	4.30	-117.20
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000337195	0	42	-2.0	-108.68	362.22	6.57	-102.11
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000337195	1	41	-3.0	-209.07	365.19	6.99	-202.08
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])=C1	REAL300000337196	0	40	-2.0	-142.69	352.65	7.19	-135.50
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C1	REAL300000337197	0	36	-2.0	-119.69	330.29	4.91	-114.78
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1	REAL300000337198	0	32	-2.0	-125.94	307.39	4.89	-121.05
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCNC(C)=O)S2)=C1	REAL300000337199	0	42	-2.0	-135.58	388.57	3.47	-132.11
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)NC(C)=O)S2)=C1	REAL300000337200	0	42	-2.0	-126.70	385.70	3.52	-123.18
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000337201	0	34	-3.0	-194.11	323.95	4.24	-189.87
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1	REAL300000337202	0	35	-2.0	-151.27	320.67	3.74	-147.53
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337203	0	38	-2.0	-134.01	352.73	5.25	-128.76
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)[O-]	REAL300000337204	0	42	-2.0	-139.40	364.00	5.92	-133.48
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000337205	1	35	-2.0	-117.37	336.79	5.60	-111.77
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337206	1	48	-2.0	-126.64	408.31	7.13	-119.51
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1	REAL300000337207	0	34	-2.0	-141.34	326.20	6.69	-134.65
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1	REAL300000337208	1	37	-2.0	-139.09	340.81	4.71	-134.38
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1	REAL300000337209	0	31	-2.0	-119.21	308.80	3.34	-115.87
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337210	1	46	-2.0	-129.12	399.30	5.00	-124.12
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1	REAL300000337211	0	34	-2.0	-145.93	318.50	6.17	-139.76
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000337212	0	38	-3.0	-215.22	349.86	4.19	-211.03
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000337212	1	39	-2.0	-110.20	347.20	3.72	-106.48
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000337213	0	39	-2.0	-128.27	353.04	5.66	-122.61
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000337214	0	42	-2.0	-126.44	378.45	6.10	-120.34
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1	REAL300000337215	0	31	-2.0	-118.82	293.88	2.81	-116.01
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C(F)(F)F)=C2)=C1	REAL300000337216	1	38	-2.0	-125.99	346.90	6.06	-119.93
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)=C1	REAL300000337217	1	42	-2.0	-125.47	372.72	5.45	-120.02
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337218	0	35	-2.0	-127.37	340.53	4.20	-123.17
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)[O-]	REAL300000337219	0	40	-2.0	-117.15	346.46	6.73	-110.42
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=C1	REAL300000337220	0	37	-2.0	-131.30	328.64	4.96	-126.34
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1	REAL300000337221	0	31	-2.0	-119.68	317.62	3.68	-116.00
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000337222	0	42	-2.0	-98.93	370.24	6.02	-92.91
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000337222	1	41	-3.0	-187.78	372.10	6.09	-181.69
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C=N2)=C1	REAL300000337223	0	32	-2.0	-140.71	296.66	3.62	-137.09
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C(C)=C1	REAL300000337224	1	42	-2.0	-126.71	359.29	5.54	-121.17
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)=C1	REAL300000337225	0	40	-2.0	-123.43	358.79	4.27	-119.16
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)=C1	REAL300000337226	0	36	-2.0	-117.76	332.23	1.52	-116.24
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=C1	REAL300000337227	1	41	-2.0	-130.92	374.04	7.38	-123.54
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1	REAL300000337228	0	32	-2.0	-133.01	304.25	4.67	-128.34
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=C(OC)C=C2F)=C1	REAL300000337229	0	36	-2.0	-132.68	330.47	4.12	-128.56
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1	REAL300000337230	0	34	-2.0	-134.22	330.32	6.48	-127.74
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000337231	0	38	-2.0	-95.09	339.03	5.87	-89.22
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000337231	1	37	-3.0	-192.53	341.65	5.92	-186.61
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1	REAL300000337232	0	38	-2.0	-136.21	335.61	4.19	-132.02
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C(C)=N2)=C1	REAL300000337233	0	35	-2.0	-142.81	317.03	3.45	-139.36
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000337234	0	39	-2.0	-98.61	356.53	5.38	-93.23
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000337234	1	38	-3.0	-185.17	358.24	5.45	-179.72
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1	REAL300000337235	0	36	-2.0	-131.55	330.49	4.59	-126.96
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337236	1	41	-2.0	-132.65	369.13	6.12	-126.53
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=N1	REAL300000337237	0	35	-2.0	-125.56	318.56	3.11	-122.45
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337238	0	44	-2.0	-123.07	390.60	6.92	-116.15
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337239	1	39	-2.0	-131.82	347.54	4.26	-127.56
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000337240	0	35	-2.0	-127.10	336.69	5.61	-121.49
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1	REAL300000337241	0	32	-2.0	-128.70	324.54	4.64	-124.06
CCOC1=CC=C(S(=O)(=O)NC2=CC(OC)=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000337242	0	42	-2.0	-123.19	368.37	6.01	-117.18
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000337242	1	41	-3.0	-214.23	370.08	6.07	-208.16
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1	REAL300000337243	1	37	-2.0	-127.64	328.47	3.84	-123.80
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=CC=C1F	REAL300000337244	1	41	-2.0	-120.66	373.67	6.14	-114.52
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1	REAL300000337245	0	32	-2.0	-123.28	312.01	5.17	-118.11
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3=COC(C)=N3)C=C2)=C1	REAL300000337246	1	41	-2.0	-132.82	368.87	3.61	-129.21
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OC(C)CC3=C2)=C1	REAL300000337247	1	40	-2.0	-128.96	349.39	5.14	-123.82
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=C1	REAL300000337248	0	36	-2.0	-121.03	336.77	1.39	-119.64
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2C)=C1	REAL300000337249	0	32	-2.0	-122.76	292.89	1.59	-121.17
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337250	1	36	-2.0	-132.15	321.97	3.84	-128.31
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C)=C1	REAL300000337251	1	35	-2.0	-129.07	307.96	5.31	-123.76
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)N=C(NC(C)=O)S2)=C1	REAL300000337252	0	38	-2.0	-132.91	354.10	2.77	-130.14
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)N=C([N-]C(C)=O)S2)=C1	REAL300000337252	1	37	-3.0	-202.03	349.84	1.67	-200.36
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=NN(C)C=C2)=C1	REAL300000337253	0	32	-2.0	-135.56	297.32	2.07	-133.49
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C)=C1	REAL300000337254	0	32	-2.0	-120.47	292.72	2.17	-118.30
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC2CCCO2)=C1	REAL300000337255	1	36	-2.0	-129.44	311.83	2.76	-126.68
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC2CCCCO2)=C1	REAL300000337256	1	39	-2.0	-128.37	329.33	3.82	-124.55
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C=C2F)=C1	REAL300000337257	0	35	-2.0	-135.04	319.39	5.28	-129.76
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)=C1	REAL300000337258	1	35	-2.0	-122.31	319.19	5.24	-117.07
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])O1	REAL300000337259	0	35	-2.0	-122.76	332.02	3.33	-119.43
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1	REAL300000337260	0	37	-2.0	-147.86	332.41	5.17	-142.69
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000337261	0	34	-3.0	-197.80	330.63	4.98	-192.82
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000337261	1	35	-2.0	-104.02	328.01	4.54	-99.48
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1C	REAL300000337262	1	41	-2.0	-132.54	356.81	5.86	-126.68
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(OC)=CC=C2Cl)=C1	REAL300000337263	0	36	-2.0	-129.97	335.09	4.40	-125.57
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)=C1	REAL300000337264	0	34	-2.0	-119.81	323.12	3.76	-116.05
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C(C)=C2C)=C1	REAL300000337265	1	42	-2.0	-128.59	352.69	5.25	-123.34
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337266	1	41	-2.0	-134.25	369.45	5.99	-128.26
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCN(C(C)=O)C3=C2)=C1	REAL300000337268	1	43	-2.0	-154.43	372.99	5.66	-148.77
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)=C1	REAL300000337269	0	44	-2.0	-128.58	370.58	5.18	-123.40
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CS2)=C1	REAL300000337270	0	32	-2.0	-128.83	300.70	4.36	-124.47
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337271	0	38	-2.0	-125.90	364.00	5.70	-120.20
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1C	REAL300000337272	0	41	-2.0	-127.98	350.98	4.44	-123.54
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1C	REAL300000337273	0	41	-2.0	-124.51	363.27	5.73	-118.78
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)=C1	REAL300000337274	0	37	-2.0	-116.82	336.69	5.72	-111.10
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000337275	1	40	-2.0	-143.77	352.06	3.00	-140.77
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)=C1	REAL300000337276	1	41	-2.0	-142.65	377.52	2.73	-139.92
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)=C1	REAL300000337277	1	36	-2.0	-122.51	328.75	5.70	-116.81
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(NC(C)=O)=C2)=C1	REAL300000337278	1	39	-2.0	-139.24	353.37	3.55	-135.69
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2F)=C1	REAL300000337279	0	37	-2.0	-125.36	344.85	5.90	-119.46
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=C3OC(C)CC3=C2)=C1	REAL300000337280	1	40	-2.0	-126.03	366.25	5.66	-120.37
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(NC(C)=O)=C2)=C1	REAL300000337281	1	42	-2.0	-151.86	367.07	4.34	-147.52
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2OC)=C1	REAL300000337282	0	36	-2.0	-130.92	330.12	5.01	-125.91
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)=C1	REAL300000337283	1	36	-2.0	-119.18	328.72	5.70	-113.48
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000337284	1	41	-2.0	-136.02	361.15	4.61	-131.41
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=CC=C1OC	REAL300000337285	1	42	-2.0	-127.12	374.56	5.24	-121.88
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=C1	REAL300000337286	0	33	-2.0	-124.06	318.78	4.99	-119.07
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)=C1	REAL300000337287	0	37	-2.0	-127.55	336.12	2.20	-125.35
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=C1	REAL300000337288	0	38	-2.0	-126.27	337.24	3.63	-122.64
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1	REAL300000337289	1	37	-2.0	-131.03	333.44	4.93	-126.10
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=N1	REAL300000337290	0	38	-2.0	-133.77	351.83	3.31	-130.46
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=C1	REAL300000337291	0	38	-2.0	-140.40	336.45	2.97	-137.43
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])=C1	REAL300000337292	0	35	-2.0	-130.14	334.30	6.35	-123.79
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)N(C3=CC=CC=N3)N=C2)=C1	REAL300000337294	0	41	-2.0	-131.61	367.04	5.78	-125.83
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337295	1	43	-2.0	-122.59	375.07	4.18	-118.41
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000337296	0	32	-2.0	-111.78	311.47	4.72	-107.06
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=C1	REAL300000337297	1	43	-2.0	-126.49	375.09	6.38	-120.11
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=CN1C	REAL300000337299	0	39	-2.0	-132.09	353.64	4.64	-127.45
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337300	1	47	-2.0	-130.23	382.92	7.32	-122.91
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000337301	0	34	-3.0	-187.55	333.99	5.66	-181.89
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000337301	1	35	-2.0	-95.64	331.20	5.22	-90.42
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000337302	0	35	-2.0	-100.46	323.68	5.07	-95.39
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000337302	1	34	-3.0	-188.92	325.46	5.14	-183.78
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)=C1	REAL300000337303	1	40	-2.0	-138.35	358.96	3.95	-134.40
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000337304	0	39	-2.0	-131.45	357.44	5.82	-125.63
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(N(C)C(C)=O)C=C2)=C1	REAL300000337305	1	42	-2.0	-139.34	370.74	5.20	-134.14
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)=C1	REAL300000337306	1	38	-2.0	-123.46	339.52	5.88	-117.58
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=C1	REAL300000337307	0	35	-2.0	-118.57	337.29	2.61	-115.96
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000337308	0	31	-3.0	-192.71	313.20	4.23	-188.48
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=C1	REAL300000337309	0	41	-2.0	-140.67	357.19	5.78	-134.89
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000337310	0	34	-3.0	-196.31	327.35	5.17	-191.14
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000337310	1	35	-2.0	-96.96	325.64	5.10	-91.86
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000337311	0	37	-3.0	-203.58	346.69	5.80	-197.78
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)=C1	REAL300000337312	1	46	-2.0	-126.32	385.28	6.60	-119.72
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=CN1	REAL300000337313	0	36	-2.0	-128.57	335.88	2.88	-125.69
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000337314	0	34	-3.0	-191.61	326.40	5.17	-186.44
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000337315	0	35	-2.0	-98.18	331.67	5.43	-92.75
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000337315	1	34	-3.0	-187.68	333.43	5.50	-182.18
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)=C1	REAL300000337316	1	35	-2.0	-125.52	312.86	5.36	-120.16
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=CC=C1C	REAL300000337317	1	41	-2.0	-126.71	363.30	5.72	-120.99
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=CS1	REAL300000337318	0	35	-2.0	-127.55	339.75	4.22	-123.33
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=CC=C1F	REAL300000337319	1	38	-2.0	-120.18	351.81	5.22	-114.96
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)N=C(C)S2)=C1	REAL300000337320	0	34	-2.0	-125.49	316.75	3.14	-122.35
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=C1	REAL300000337321	1	36	-2.0	-133.06	334.73	5.72	-127.34
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C([O-])C(NC(C)=O)=C2)=C1	REAL300000337322	1	40	-2.0	-106.43	353.10	1.40	-105.03
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000337323	0	38	-2.0	-95.71	347.81	6.27	-89.44
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000337323	1	37	-3.0	-194.30	350.38	6.30	-188.00
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)=C1	REAL300000337324	1	38	-2.0	-123.17	346.70	6.32	-116.85
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337325	1	38	-2.0	-131.64	335.37	5.97	-125.67
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=C1	REAL300000337326	0	35	-2.0	-126.73	348.11	6.48	-120.25
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)=C1	REAL300000337327	1	35	-2.0	-126.34	320.30	5.27	-121.07
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337328	0	38	-2.0	-124.47	350.37	3.99	-120.48
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=C1	REAL300000337329	1	38	-2.0	-124.02	343.87	3.60	-120.42
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000337330	0	36	-3.0	-189.80	349.13	5.77	-184.03
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000337330	1	37	-2.0	-93.42	347.41	5.70	-87.72
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=C1	REAL300000337331	0	35	-2.0	-131.60	345.82	6.41	-125.19
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337332	0	42	-2.0	-137.63	375.41	4.99	-132.64
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337333	1	44	-2.0	-131.67	379.24	6.51	-125.16
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)=C1	REAL300000337334	1	43	-2.0	-129.42	369.91	5.80	-123.62
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)=C1	REAL300000337335	0	35	-2.0	-125.77	324.66	5.30	-120.47
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=C1	REAL300000337336	0	38	-2.0	-138.74	344.26	7.61	-131.13
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1	REAL300000337337	0	38	-2.0	-139.86	333.52	6.85	-133.01
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1	REAL300000337338	0	34	-2.0	-127.42	324.47	4.02	-123.40
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000337339	0	35	-3.0	-198.56	330.66	2.80	-195.76
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000337339	1	35	-3.0	-193.11	327.11	3.57	-189.54
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1	REAL300000337340	1	42	-2.0	-134.47	347.78	7.17	-127.30
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000337341	0	38	-2.0	-99.95	341.52	5.81	-94.14
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000337341	1	37	-3.0	-192.69	343.13	5.88	-186.81
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C(Cl)=C2)=C1	REAL300000337342	1	39	-2.0	-129.07	362.65	4.06	-125.01
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])O1	REAL300000337343	0	38	-2.0	-123.13	353.88	4.26	-118.87
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1	REAL300000337344	0	34	-2.0	-116.65	327.11	5.27	-111.38
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(C)=O)=CC=C2Cl)=C1	REAL300000337345	0	37	-2.0	-137.16	348.31	5.59	-131.57
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)=C1	REAL300000337346	1	44	-2.0	-128.72	383.19	6.07	-122.65
COC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])SC=C1	REAL300000337347	0	33	-2.0	-135.65	314.64	2.82	-132.83
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337348	1	41	-2.0	-139.29	374.64	2.96	-136.33
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)=C1	REAL300000337349	0	38	-2.0	-131.67	349.27	5.64	-126.03
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000337350	0	35	-2.0	-133.28	322.24	4.93	-128.35
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)=C1	REAL300000337351	0	40	-2.0	-150.28	353.99	5.78	-144.50
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)=C1	REAL300000337352	1	43	-2.0	-124.14	375.78	4.04	-120.10
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=C1	REAL300000337353	0	38	-2.0	-130.03	347.89	7.27	-122.76
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C3=C(F)C=CC=C3S2)=C1	REAL300000337354	0	38	-2.0	-134.01	349.97	6.74	-127.27
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)=C1	REAL300000337355	0	37	-2.0	-126.06	346.49	5.92	-120.14
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)[O-]	REAL300000337356	0	34	-2.0	-133.81	325.72	3.28	-130.53
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN3N=C(C)C(Cl)=C3N=C2)=C1	REAL300000337357	0	37	-2.0	-117.33	353.47	4.50	-112.83
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)=C1	REAL300000337358	1	34	-2.0	-120.92	340.75	4.45	-116.47
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=C1	REAL300000337359	0	32	-2.0	-117.97	308.52	3.45	-114.52
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=C1	REAL300000337360	0	32	-2.0	-131.88	312.66	3.37	-128.51
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(OC)=CC(OC)=C2)=C1	REAL300000337361	0	40	-2.0	-133.61	351.46	3.15	-130.46
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1	REAL300000337362	0	33	-2.0	-135.30	308.32	3.28	-132.02
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=C1	REAL300000337363	0	33	-2.0	-117.78	314.70	2.37	-115.41
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C)S2)=C1	REAL300000337364	0	31	-2.0	-124.85	301.01	2.37	-122.48
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=CC=C1Cl	REAL300000337365	1	38	-2.0	-120.70	359.79	5.58	-115.12
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)=C1	REAL300000337366	1	37	-2.0	-114.47	340.27	6.02	-108.45
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000337367	0	38	-2.0	-116.33	327.99	5.70	-110.63
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000337367	1	37	-3.0	-207.73	330.98	5.74	-201.99
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000337369	0	39	-2.0	-148.84	357.09	2.40	-146.44
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000337370	0	38	-2.0	-103.39	344.03	5.69	-97.70
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000337370	1	37	-3.0	-204.68	345.77	5.75	-198.93
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000337371	0	38	-2.0	-99.38	332.59	5.80	-93.58
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000337371	1	37	-3.0	-189.68	336.35	5.87	-183.81
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C(C)N1	REAL300000337372	0	45	-2.0	-128.42	388.49	5.22	-123.20
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)=C1	REAL300000337373	0	35	-2.0	-128.48	324.67	5.31	-123.17
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(OC)=C2)=C1	REAL300000337374	0	38	-2.0	-116.48	348.01	5.29	-111.19
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000337375	0	41	-2.0	-118.35	352.13	6.09	-112.26
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000337375	1	40	-3.0	-212.32	353.81	6.17	-206.15
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1	REAL300000337376	0	38	-2.0	-140.25	350.22	7.36	-132.89
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000337377	0	36	-3.0	-201.66	347.50	6.19	-195.47
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000337377	1	37	-2.0	-105.53	345.85	6.11	-99.42
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1	REAL300000337378	0	35	-2.0	-126.65	337.80	6.04	-120.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1CC	REAL300000337379	1	44	-2.0	-132.98	369.53	7.11	-125.87
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000337380	0	34	-3.0	-192.77	332.68	5.23	-187.54
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)=C1	REAL300000337381	0	37	-2.0	-117.44	345.52	5.87	-111.57
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1	REAL300000337382	0	31	-2.0	-124.75	311.45	3.99	-120.76
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=C1	REAL300000337383	0	38	-2.0	-137.41	337.92	4.93	-132.48
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=N1	REAL300000337384	0	37	-2.0	-119.27	343.22	3.38	-115.89
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1	REAL300000337385	0	31	-2.0	-115.40	317.90	3.72	-111.68
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000337386	0	41	-2.0	-121.36	351.68	6.43	-114.93
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000337386	1	40	-3.0	-212.87	354.47	6.50	-206.37
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000337387	0	37	-3.0	-204.21	346.26	5.80	-198.41
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000337388	0	37	-3.0	-200.13	352.72	6.24	-193.89
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000337388	1	38	-2.0	-102.69	349.91	5.79	-96.90
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000337389	0	37	-3.0	-218.84	345.97	5.79	-213.05
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1	REAL300000337390	0	32	-2.0	-115.04	319.72	5.01	-110.03
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337391	1	40	-2.0	-140.71	355.57	5.81	-134.90
COCCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=N1	REAL300000337392	0	39	-2.0	-123.69	352.23	2.16	-121.53
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000337393	0	37	-2.0	-135.34	342.79	5.38	-129.96
CCC1=CC=C(S(=O)(=O)NC2=CC(OC)=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000337394	0	41	-2.0	-103.47	353.43	6.22	-97.25
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000337394	1	40	-3.0	-210.72	355.17	6.29	-204.43
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1	REAL300000337395	0	43	-2.0	-126.06	369.65	3.09	-122.97
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)=C1	REAL300000337398	0	38	-2.0	-94.65	337.45	4.60	-90.05
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)=C1	REAL300000337398	1	37	-3.0	-189.19	341.00	5.04	-184.15
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=C1	REAL300000337399	0	41	-2.0	-130.20	365.47	6.19	-124.01
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337400	0	38	-2.0	-140.42	339.97	5.28	-135.14
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300000337401	0	40	-2.0	-123.99	350.51	2.29	-121.70
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)=C1	REAL300000337402	1	39	-2.0	-130.40	356.83	5.08	-125.32
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=C1	REAL300000337403	0	35	-2.0	-136.73	318.29	5.25	-131.48
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=N1	REAL300000337404	0	38	-2.0	-121.92	341.52	2.17	-119.75
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1	REAL300000337405	0	39	-2.0	-144.58	338.42	4.56	-140.02
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000337406	0	42	-2.0	-104.95	369.63	5.17	-99.78
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000337406	1	41	-3.0	-204.98	371.41	5.23	-199.75
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337407	1	39	-2.0	-129.28	347.56	4.27	-125.01
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(OC)=CC=C2O)=C1	REAL300000337408	0	37	-2.0	-129.08	331.75	1.53	-127.55
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)=C1	REAL300000337409	0	35	-2.0	-131.10	324.34	5.68	-125.42
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)OC(C)=C2)=C1	REAL300000337411	0	35	-2.0	-125.97	315.45	4.12	-121.85
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=C1	REAL300000337412	0	38	-2.0	-135.24	338.73	2.20	-133.04
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=C1	REAL300000337413	1	40	-2.0	-129.95	346.18	5.17	-124.78
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337414	0	41	-2.0	-124.97	375.53	6.19	-118.78
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)[O-]	REAL300000337415	0	39	-2.0	-128.79	339.08	4.58	-124.21
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000337416	0	41	-2.0	-118.08	365.77	4.85	-113.23
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(C)C)C=C2)=C1	REAL300000337417	1	42	-2.0	-127.78	361.75	5.39	-122.39
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)O2)=C1	REAL300000337418	0	32	-2.0	-129.17	297.07	3.35	-125.82
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(C)S2)=C1	REAL300000337419	0	35	-2.0	-130.47	326.12	4.95	-125.52
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1	REAL300000337420	1	35	-2.0	-124.89	318.52	3.20	-121.69
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=C1	REAL300000337421	0	40	-2.0	-148.02	346.11	6.30	-141.72
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1	REAL300000337422	0	38	-2.0	-133.63	341.74	6.56	-127.07
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1	REAL300000337423	0	34	-2.0	-113.23	325.21	5.23	-108.00
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000337424	0	38	-2.0	-99.08	343.41	5.82	-93.26
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000337424	1	37	-3.0	-198.68	347.20	6.28	-192.40
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1	REAL300000337425	0	32	-2.0	-119.32	315.62	5.13	-114.19
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C(C)O1	REAL300000337426	0	38	-2.0	-120.47	350.31	4.10	-116.37
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1	REAL300000337427	0	31	-2.0	-119.14	304.23	3.23	-115.91
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000337428	0	38	-2.0	-101.25	350.45	5.99	-95.26
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000337428	1	37	-3.0	-204.58	352.16	6.06	-198.52
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])N=C1C	REAL300000337429	0	38	-2.0	-142.94	338.21	4.32	-138.62
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)=C1	REAL300000337430	0	35	-2.0	-130.32	327.03	5.77	-124.55
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000337431	0	38	-3.0	-206.46	348.89	5.31	-201.15
CCN1C=C(S(=O)(=O)NC2=CC(OC)=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000337431	1	39	-2.0	-104.94	348.83	5.31	-99.63
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337432	0	35	-2.0	-127.14	332.36	3.28	-123.86
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)[O-]	REAL300000337433	0	44	-2.0	-129.15	371.96	5.09	-124.06
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=CN1C	REAL300000337434	0	42	-2.0	-131.50	375.51	5.56	-125.94
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)=C1	REAL300000337435	0	40	-2.0	-125.02	352.16	6.49	-118.53
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1	REAL300000337436	0	32	-2.0	-133.41	308.54	5.34	-128.07
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)=C1	REAL300000337437	0	34	-2.0	-127.94	322.38	3.86	-124.08
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2OC)=C1	REAL300000337438	0	37	-2.0	-126.23	341.52	4.73	-121.50
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(SC)C(Cl)=C2)=C1	REAL300000337439	1	36	-2.0	-125.49	347.68	6.01	-119.48
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])S1	REAL300000337440	0	34	-2.0	-124.68	322.49	3.12	-121.56
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(OC)=CC=C3C(=O)[O-])C=C12	REAL300000337441	0	39	-2.0	-117.21	353.72	2.25	-114.96
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)S2)=C1	REAL300000337442	0	34	-2.0	-122.60	330.61	4.87	-117.73
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)C(OC)=C2)=C1	REAL300000337443	0	35	-2.0	-117.58	333.33	2.49	-115.09
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(OC)=CC=C3C(=O)[O-])=CC=C21	REAL300000337444	1	41	-2.0	-124.63	368.40	5.50	-119.13
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000337445	0	34	-2.0	-116.69	327.20	3.77	-112.92
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337446	0	38	-2.0	-125.43	353.67	5.26	-120.17
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)=C1	REAL300000337447	0	47	-2.0	-128.55	385.29	5.55	-123.00
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2C)=C1	REAL300000337448	1	39	-2.0	-125.03	342.56	4.65	-120.38
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=C1	REAL300000337449	0	33	-2.0	-119.35	326.37	5.49	-113.86
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1	REAL300000337450	0	35	-2.0	-140.18	320.41	4.85	-135.33
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337451	0	37	-2.0	-124.91	342.43	3.40	-121.51
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1	REAL300000337452	0	29	-2.0	-122.72	296.86	3.26	-119.46
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)OC(C)=N2)=C1	REAL300000337453	0	41	-2.0	-144.39	368.53	3.51	-140.88
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)=C1	REAL300000337454	1	40	-2.0	-123.92	352.18	6.50	-117.42
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337456	1	44	-2.0	-130.08	384.56	6.90	-123.18
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1	REAL300000337457	0	32	-2.0	-120.01	327.65	5.65	-114.36
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)=C1	REAL300000337458	0	32	-2.0	-121.86	321.47	4.76	-117.10
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C(OC)=C1	REAL300000337459	0	42	-2.0	-130.32	375.47	4.99	-125.33
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1	REAL300000337460	1	35	-2.0	-135.74	326.64	5.47	-130.27
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1	REAL300000337461	0	35	-2.0	-124.18	336.72	5.61	-118.57
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1	REAL300000337462	0	35	-2.0	-125.00	331.55	3.40	-121.60
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2SC)=C1	REAL300000337463	0	36	-2.0	-135.26	328.56	5.61	-129.65
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000337464	0	35	-2.0	-129.79	337.84	1.77	-128.02
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300000337465	0	40	-2.0	-123.84	361.91	5.83	-118.01
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C(C)=CS1	REAL300000337466	0	38	-2.0	-139.65	347.69	5.72	-133.93
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(OC)=C2)=C1	REAL300000337467	1	36	-2.0	-121.16	328.19	3.91	-117.25
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=NN2C)=C1	REAL300000337468	0	31	-2.0	-114.48	286.96	0.95	-113.53
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=C1	REAL300000337469	0	37	-2.0	-123.15	336.83	3.67	-119.48
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300000337470	0	31	-2.0	-117.63	313.65	4.30	-113.33
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337472	1	40	-2.0	-129.60	359.65	2.76	-126.84
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300000337473	0	36	-2.0	-134.31	320.60	3.97	-130.34
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=C1	REAL300000337474	0	33	-2.0	-122.04	326.38	5.50	-116.54
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000337475	0	35	-2.0	-123.58	336.43	3.60	-119.98
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)[O-]	REAL300000337476	1	38	-2.0	-123.54	318.24	6.06	-117.48
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1	REAL300000337478	0	36	-2.0	-144.81	330.88	4.62	-140.19
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)N(CC3CC3)N=C2C)=C1	REAL300000337479	0	45	-2.0	-128.28	382.66	6.01	-122.27
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)=C1	REAL300000337480	0	40	-2.0	-148.24	350.37	5.72	-142.52
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)=C1	REAL300000337481	0	36	-2.0	-132.29	343.72	1.83	-130.46
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1	REAL300000337482	0	33	-2.0	-136.64	317.25	2.85	-133.79
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(OC)=CN=C2)=C1	REAL300000337483	0	35	-2.0	-125.79	317.05	2.01	-123.78
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1OC	REAL300000337484	0	42	-2.0	-124.85	374.55	5.25	-119.60
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2C)OCO3)=C1	REAL300000337486	1	38	-2.0	-124.32	333.97	3.98	-120.34
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2OC)=C1	REAL300000337487	0	38	-2.0	-123.08	338.99	5.65	-117.43
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000337488	0	38	-2.0	-108.75	349.05	5.99	-102.76
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000337488	1	37	-3.0	-200.64	350.80	6.07	-194.57
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)=C1	REAL300000337489	0	42	-2.0	-129.25	363.49	4.39	-124.86
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=C1	REAL300000337490	0	38	-2.0	-135.89	353.69	6.09	-129.80
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(NC(C)=O)S2)=C1	REAL300000337491	0	35	-2.0	-132.30	337.13	2.04	-130.26
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)=C1	REAL300000337491	1	34	-3.0	-201.34	334.13	0.90	-200.44
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C(F)=C2)=C1	REAL300000337492	1	39	-2.0	-128.27	353.37	3.56	-124.71
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000337493	1	36	-2.0	-124.32	337.95	4.19	-120.13
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000337494	0	35	-2.0	-116.78	336.80	5.60	-111.18
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)=C1	REAL300000337495	0	37	-2.0	-132.74	349.25	0.15	-132.59
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=C1	REAL300000337496	1	36	-2.0	-132.65	317.17	5.86	-126.79
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=C1	REAL300000337497	1	36	-2.0	-132.54	334.72	5.71	-126.83
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1	REAL300000337498	0	32	-2.0	-121.45	322.34	5.61	-115.84
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(F)C=C2C)=C1	REAL300000337499	1	38	-2.0	-121.32	329.00	6.29	-115.03
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)ON=C2N)=C1	REAL300000337500	0	33	-2.0	-118.17	300.01	1.91	-116.26
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC)=C1	REAL300000337501	0	36	-2.0	-131.43	337.47	4.84	-126.59
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1	REAL300000337502	0	33	-2.0	-122.90	319.98	3.31	-119.59
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(OC)=CC=C2C)=C1	REAL300000337503	1	39	-2.0	-130.62	337.44	4.61	-126.01
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=C(OC)C=C2C)=C1	REAL300000337504	1	39	-2.0	-123.61	353.05	5.18	-118.43
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)S2)=C1	REAL300000337506	0	30	-2.0	-117.64	304.99	4.09	-113.55
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)N=C2)=C1	REAL300000337507	0	34	-2.0	-126.40	309.07	3.37	-123.03
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1	REAL300000337508	0	37	-2.0	-130.36	333.67	4.90	-125.46
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C(F)=C1	REAL300000337509	0	38	-2.0	-128.50	352.73	5.27	-123.23
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1F	REAL300000337510	0	38	-2.0	-121.93	351.79	5.23	-116.70
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337511	0	40	-2.0	-136.88	368.62	6.38	-130.50
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)=C1	REAL300000337512	1	36	-2.0	-120.18	332.46	5.43	-114.75
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1	REAL300000337513	0	31	-2.0	-112.86	310.21	3.22	-109.64
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC(C)OC)=C1	REAL300000337514	1	35	-2.0	-126.03	308.48	2.30	-123.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C(F)=C1	REAL300000337515	0	36	-2.0	-132.20	327.46	3.90	-128.30
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000337516	1	38	-2.0	-128.60	353.48	6.32	-122.28
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1	REAL300000337517	1	38	-2.0	-128.81	338.21	5.05	-123.76
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1	REAL300000337518	1	35	-2.0	-127.20	326.66	5.46	-121.74
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000337519	1	42	-2.0	-136.20	366.68	7.95	-128.25
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=NN2C)=C1	REAL300000337521	0	35	-2.0	-121.67	309.36	3.00	-118.67
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337522	0	41	-2.0	-133.24	374.59	6.18	-127.06
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)O2)=C1	REAL300000337523	0	30	-2.0	-119.01	296.40	3.08	-115.93
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC=C2)=C1	REAL300000337524	0	29	-2.0	-125.25	283.58	3.45	-121.80
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337525	0	43	-2.0	-139.88	375.81	4.05	-135.83
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000337526	0	38	-2.0	-101.25	335.66	5.60	-95.65
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000337526	1	37	-3.0	-191.24	336.95	5.64	-185.60
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)N=C2)=C1	REAL300000337527	0	35	-2.0	-121.74	319.65	1.22	-120.52
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1	REAL300000337528	0	32	-2.0	-128.41	314.70	5.12	-123.29
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337529	0	41	-2.0	-130.45	370.01	7.31	-123.14
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)=C1	REAL300000337530	0	41	-2.0	-130.40	365.84	7.02	-123.38
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C1	REAL300000337531	0	35	-2.0	-132.22	329.03	5.90	-126.32
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337532	1	44	-2.0	-135.25	391.29	6.89	-128.36
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=CC=C1C	REAL300000337533	1	44	-2.0	-127.31	385.16	6.65	-120.66
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=C1	REAL300000337534	0	43	-2.0	-144.28	370.20	5.76	-138.52
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1	REAL300000337535	0	35	-2.0	-134.00	319.08	3.17	-130.83
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)=C1	REAL300000337536	1	38	-2.0	-119.57	347.03	6.33	-113.24
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337537	1	39	-2.0	-132.57	343.83	4.77	-127.80
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1	REAL300000337538	0	32	-2.0	-129.16	314.85	5.40	-123.76
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)=C1	REAL300000337539	1	41	-2.0	-134.09	359.77	7.47	-126.62
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1	REAL300000337540	0	29	-2.0	-124.85	300.46	3.99	-120.86
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CS2)=C1	REAL300000337541	0	32	-2.0	-127.80	306.05	4.20	-123.60
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)C)C=C2)=C1	REAL300000337542	1	45	-2.0	-133.53	388.46	4.90	-128.63
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2Cl)=C1	REAL300000337543	0	29	-2.0	-122.93	290.76	1.35	-121.58
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=C1	REAL300000337544	0	37	-2.0	-137.92	346.99	5.60	-132.32
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1	REAL300000337545	0	31	-2.0	-123.37	299.40	2.66	-120.71
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=C1	REAL300000337546	0	41	-2.0	-123.88	357.01	3.61	-120.27
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=C1	REAL300000337547	0	41	-2.0	-122.64	361.65	3.10	-119.54
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C1	REAL300000337549	1	40	-2.0	-127.54	353.00	5.51	-122.03
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1	REAL300000337550	0	35	-2.0	-126.19	328.66	5.00	-121.19
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1	REAL300000337551	0	35	-2.0	-132.64	343.77	6.60	-126.04
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=NS2)=C1	REAL300000337552	0	31	-2.0	-120.76	300.97	2.83	-117.93
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000337554	0	36	-2.0	-126.94	340.90	3.24	-123.70
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1	REAL300000337554	1	36	-2.0	-107.43	335.05	3.56	-103.87
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000337555	0	38	-2.0	-122.62	345.99	5.84	-116.78
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1	REAL300000337556	1	39	-2.0	-130.20	341.70	6.65	-123.55
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000337557	0	29	-2.0	-126.85	290.76	3.58	-123.27
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)=CC3=C2)=C1	REAL300000337558	1	41	-2.0	-124.00	363.54	4.27	-119.73
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1	REAL300000337559	0	38	-2.0	-142.58	353.30	2.96	-139.62
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=C1	REAL300000337560	0	35	-2.0	-127.88	331.12	3.39	-124.49
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000337561	0	41	-2.0	-129.99	357.31	6.14	-123.85
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=C1	REAL300000337562	0	33	-2.0	-116.28	319.19	4.97	-111.31
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C([N+](=O)[O-])C=C2F)=C1	REAL300000337563	0	37	-2.0	-120.54	342.18	5.79	-114.75
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000337564	0	38	-2.0	-106.23	336.92	5.49	-100.74
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000337564	1	37	-3.0	-198.12	340.48	5.93	-192.19
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1	REAL300000337565	0	33	-2.0	-127.46	325.36	3.83	-123.63
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000337566	0	36	-3.0	-220.86	344.66	6.96	-213.90
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)N=S(C)(C)=O)=C1	REAL300000337568	0	32	-2.0	-155.10	297.83	0.47	-154.63
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C(F)C=C1C	REAL300000337569	0	41	-2.0	-128.64	368.74	5.79	-122.85
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1	REAL300000337570	0	32	-2.0	-118.81	325.06	4.73	-114.08
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1	REAL300000337571	0	37	-2.0	-134.00	329.47	1.46	-132.54
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(C)S2)=C1	REAL300000337572	0	35	-2.0	-129.76	322.09	5.15	-124.61
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=CN=C1C	REAL300000337573	0	40	-2.0	-120.51	358.71	3.89	-116.62
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)=C1	REAL300000337574	0	34	-2.0	-118.35	320.03	3.92	-114.43
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)=C1	REAL300000337575	1	38	-2.0	-121.40	346.90	6.05	-115.35
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337576	1	41	-2.0	-135.35	369.43	5.98	-129.37
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1	REAL300000337577	1	34	-2.0	-117.37	332.22	4.41	-112.96
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)N(C)N=C2)=C1	REAL300000337579	0	35	-2.0	-124.51	313.14	2.77	-121.74
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337580	1	36	-2.0	-130.67	323.58	5.63	-125.04
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337581	1	45	-2.0	-142.87	386.43	5.40	-137.47
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C)=C1	REAL300000337582	0	35	-2.0	-126.49	315.86	2.89	-123.60
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337583	1	39	-2.0	-128.56	364.29	4.76	-123.80
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1	REAL300000337584	0	32	-2.0	-123.95	308.15	2.07	-121.88
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1	REAL300000337585	0	38	-2.0	-124.38	338.78	4.46	-119.92
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)=C1	REAL300000337586	1	34	-2.0	-126.29	340.64	4.45	-121.84
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1	REAL300000337587	0	40	-2.0	-118.23	363.62	3.11	-115.12
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000337588	1	39	-2.0	-135.86	348.49	4.30	-131.56
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(OC)=C2)=C1	REAL300000337589	1	36	-2.0	-122.25	338.00	4.40	-117.85
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000337590	0	34	-3.0	-217.40	324.60	5.14	-212.26
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1	REAL300000337591	0	29	-2.0	-134.58	292.94	2.48	-132.10
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1	REAL300000337592	0	34	-2.0	-141.22	323.68	3.96	-137.26
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1	REAL300000337593	1	37	-2.0	-132.76	328.28	4.39	-128.37
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1	REAL300000337594	0	38	-2.0	-140.77	343.00	6.85	-133.92
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300000337595	0	35	-2.0	-134.05	332.62	3.61	-130.44
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)=C1	REAL300000337596	0	35	-2.0	-129.11	319.04	6.05	-123.06
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000337597	0	36	-2.0	-125.21	336.89	4.66	-120.55
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1	REAL300000337598	0	37	-2.0	-141.40	328.79	4.33	-137.07
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1F	REAL300000337599	0	41	-2.0	-130.38	374.89	6.03	-124.35
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)SC3=C(C)C=CC=C32)=C1	REAL300000337600	0	41	-2.0	-133.76	363.67	7.56	-126.20
CCC(CS(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)[O-])OC	REAL300000337601	1	38	-2.0	-125.68	327.60	3.07	-122.61
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC(CC2=CC=CC=C2)OC)=C1	REAL300000337602	1	45	-2.0	-127.58	381.15	5.97	-121.61
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC(CC(C)C)OC)=C1	REAL300000337603	1	44	-2.0	-129.01	362.95	4.81	-124.20
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)=C1	REAL300000337605	0	35	-2.0	-137.05	322.39	5.49	-131.56
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1	REAL300000337606	0	31	-2.0	-119.27	317.52	3.74	-115.53
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)=C1	REAL300000337607	0	32	-2.0	-120.10	316.05	2.69	-117.41
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=C1	REAL300000337608	1	37	-2.0	-127.92	336.33	3.00	-124.92
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)N=S(C)(=O)C2=CC=CC=C2)=C1	REAL300000337609	0	39	-2.0	-155.00	354.66	3.26	-151.74
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000337610	0	38	-2.0	-107.20	340.36	5.61	-101.59
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000337610	1	37	-3.0	-198.37	342.10	5.67	-192.70
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC(OC)C2CC2)=C1	REAL300000337611	1	39	-2.0	-126.99	335.28	3.92	-123.07
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC)=C1	REAL300000337612	0	36	-2.0	-131.41	327.14	4.39	-127.02
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=C1	REAL300000337613	1	35	-2.0	-117.44	332.06	3.64	-113.80
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000337614	0	40	-2.0	-127.18	354.88	6.37	-120.81
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2OC)=C1	REAL300000337615	0	48	-2.0	-139.30	396.91	6.65	-132.65
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC(OC)C2CCOCC2)=C1	REAL300000337616	1	46	-2.0	-129.95	374.31	3.19	-126.76
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(OC)C(Cl)=C2)=C1	REAL300000337617	0	35	-2.0	-118.14	335.73	1.77	-116.37
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CON=C2C)=C1	REAL300000337618	0	31	-2.0	-117.93	291.23	2.45	-115.48
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000337619	0	36	-2.0	-124.18	342.56	2.71	-121.47
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)=C1	REAL300000337620	1	35	-2.0	-123.65	327.94	5.65	-118.00
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1	REAL300000337621	1	38	-2.0	-139.48	340.57	5.53	-133.95
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337622	0	41	-2.0	-135.29	373.04	5.89	-129.40
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC(C)=C2)=C1	REAL300000337623	0	34	-2.0	-136.17	327.06	5.73	-130.44
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)N=S(C)(=O)N(C)C)=C1	REAL300000337624	0	37	-2.0	-148.63	333.38	0.42	-148.21
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1	REAL300000337625	1	35	-2.0	-121.89	334.47	2.73	-119.16
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000337626	0	31	-2.0	-132.44	292.98	2.72	-129.72
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1	REAL300000337628	0	31	-2.0	-117.11	293.89	2.69	-114.42
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=C1	REAL300000337630	0	34	-2.0	-127.51	343.07	4.51	-123.00
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC(OC)C(C)C)=C1	REAL300000337631	1	41	-2.0	-126.93	342.79	3.53	-123.40
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1	REAL300000337632	1	32	-2.0	-118.75	315.07	5.11	-113.64
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1	REAL300000337633	0	41	-2.0	-139.51	354.17	4.89	-134.62
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=C1	REAL300000337634	1	39	-2.0	-133.20	357.57	2.40	-130.80
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1	REAL300000337635	0	40	-2.0	-140.22	344.68	5.75	-134.47
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=COC(C(=O)N(C)C)=C2C)=C1	REAL300000337636	0	42	-2.0	-129.37	365.62	3.52	-125.85
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C(F)=C1	REAL300000337637	0	41	-2.0	-127.87	374.59	6.19	-121.68
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)=C1	REAL300000337640	1	39	-2.0	-140.84	348.40	1.98	-138.86
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)=C1	REAL300000337641	0	35	-2.0	-132.54	320.89	1.24	-131.30
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC2(OC(C)C)CCOC2)=C1	REAL300000337642	1	46	-2.0	-127.59	368.75	3.44	-124.15
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1C	REAL300000337643	1	43	-2.0	-133.17	378.18	3.72	-129.45
CCOC(CS(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)[O-])C1CC1	REAL300000337644	1	42	-2.0	-127.64	355.89	4.88	-122.76
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337645	1	45	-2.0	-133.41	382.50	6.20	-127.21
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC(OC)C2CCCC2)=C1	REAL300000337646	1	45	-2.0	-125.01	366.14	4.87	-120.14
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC(OC)C2CCCCC2)=C1	REAL300000337647	1	48	-2.0	-125.83	382.74	5.42	-120.41
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2[N+](=O)[O-])=C1	REAL300000337648	0	37	-2.0	-133.49	340.27	6.66	-126.83
CCC1=NC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=CN1CC1CC1	REAL300000337649	0	45	-2.0	-144.43	391.34	6.47	-137.96
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])O1	REAL300000337650	0	38	-2.0	-123.96	349.92	3.91	-120.05
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CN(C(C)=O)CC3=C2)=C1	REAL300000337651	1	43	-2.0	-135.42	377.46	5.11	-130.31
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300000337652	0	35	-2.0	-126.23	332.22	4.04	-122.19
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)=C1	REAL300000337653	1	40	-2.0	-125.46	356.15	6.88	-118.58
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=C1	REAL300000337654	0	35	-2.0	-113.83	333.08	3.21	-110.62
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1	REAL300000337655	0	31	-2.0	-124.48	309.85	3.15	-121.33
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000337656	1	42	-2.0	-143.93	358.57	7.95	-135.98
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)=C1	REAL300000337657	0	35	-2.0	-133.52	324.60	5.32	-128.20
CCC1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C(C)C=C1OC	REAL300000337658	1	45	-2.0	-128.47	378.71	6.11	-122.36
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1	REAL300000337659	0	34	-2.0	-142.05	320.84	3.43	-138.62
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C(C)=N1	REAL300000337660	0	44	-2.0	-126.35	380.38	5.31	-121.04
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC(CC2=CC=C(F)C=C2)OC)=C1	REAL300000337661	1	45	-2.0	-126.79	389.25	6.54	-120.25
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000337662	0	33	-3.0	-198.20	317.93	3.15	-195.05
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)=C1	REAL300000337663	0	36	-2.0	-123.56	321.39	4.52	-119.04
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1C(C)C	REAL300000337664	1	48	-2.0	-130.26	402.43	6.79	-123.47
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=C1	REAL300000337665	1	44	-2.0	-126.85	370.70	6.79	-120.06
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=C1	REAL300000337666	0	33	-2.0	-117.72	319.75	5.00	-112.72
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=C1	REAL300000337667	0	35	-2.0	-121.51	325.62	3.16	-118.35
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1	REAL300000337668	0	34	-2.0	-127.34	315.75	3.59	-123.75
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1	REAL300000337668	1	34	-2.0	-141.04	315.65	3.72	-137.32
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1	REAL300000337669	0	36	-2.0	-138.59	326.21	4.51	-134.08
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=C1	REAL300000337670	0	42	-2.0	-127.21	353.48	4.66	-122.55
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=C1	REAL300000337671	0	44	-2.0	-123.78	357.89	5.07	-118.71
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1	REAL300000337672	0	42	-2.0	-127.34	359.89	4.89	-122.45
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2Br)=C1	REAL300000337673	0	32	-2.0	-125.32	317.67	2.74	-122.58
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1	REAL300000337675	0	33	-2.0	-122.50	308.66	2.30	-120.20
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300000337675	1	33	-2.0	-108.93	302.39	2.63	-106.30
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337676	1	42	-2.0	-129.34	369.69	7.32	-122.02
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)[O-]	REAL300000337677	0	38	-2.0	-123.50	331.67	3.60	-119.90
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)=C1	REAL300000337678	0	37	-2.0	-127.29	337.49	5.01	-122.28
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C1	REAL300000337679	0	32	-2.0	-120.16	297.68	1.90	-118.26
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000337680	1	35	-2.0	-123.67	331.69	5.49	-118.18
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1CC	REAL300000337682	1	48	-2.0	-128.65	407.02	7.05	-121.60
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=C1	REAL300000337683	1	39	-2.0	-132.16	356.23	6.49	-125.67
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)=C1	REAL300000337684	1	38	-2.0	-122.45	339.33	6.72	-115.73
COC1=NSC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337685	0	32	-2.0	-117.73	311.72	0.34	-117.39
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC2CCCC(C)(C)O2)=C1	REAL300000337686	1	45	-2.0	-130.87	364.53	4.75	-126.12
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000337687	0	28	-2.0	-120.24	279.22	2.24	-118.00
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000337689	0	38	-3.0	-195.79	349.14	4.89	-190.90
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000337689	1	39	-2.0	-99.93	346.48	4.40	-95.53
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)=C1	REAL300000337690	0	36	-2.0	-124.02	331.98	0.15	-123.87
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)[O-]	REAL300000337691	1	41	-2.0	-123.29	339.73	6.83	-116.46
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1	REAL300000337692	0	32	-2.0	-132.17	306.86	4.65	-127.52
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000337693	0	31	-3.0	-188.73	321.04	4.07	-184.66
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1	REAL300000337694	0	37	-2.0	-140.14	328.72	5.05	-135.09
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337695	0	39	-2.0	-129.66	352.90	4.79	-124.87
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C1	REAL300000337696	0	33	-2.0	-131.77	318.31	4.96	-126.81
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337697	0	35	-2.0	-118.67	347.04	3.81	-114.86
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1	REAL300000337698	0	39	-2.0	-126.90	342.38	4.22	-122.68
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1	REAL300000337699	0	39	-2.0	-124.67	337.70	4.52	-120.15
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1	REAL300000337700	0	42	-2.0	-125.64	361.84	5.15	-120.49
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=C1	REAL300000337701	0	43	-2.0	-134.65	367.52	2.54	-132.11
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000337702	0	38	-2.0	-129.19	359.32	5.44	-123.75
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000337703	1	38	-2.0	-126.08	343.20	1.77	-124.31
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1	REAL300000337704	0	29	-2.0	-126.93	296.58	3.12	-123.81
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(OC)C(F)=C2)=C1	REAL300000337705	1	36	-2.0	-117.73	338.35	4.09	-113.64
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1	REAL300000337706	0	39	-2.0	-132.51	336.86	4.56	-127.95
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(OC)C=C2F)=C1	REAL300000337707	0	36	-2.0	-125.78	333.68	3.98	-121.80
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(OC)C=C2C(C)C)=C1	REAL300000337708	1	48	-2.0	-129.91	395.28	6.55	-123.36
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)=C1	REAL300000337709	0	42	-2.0	-133.91	366.90	5.94	-127.97
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)SC=C2C)=C1	REAL300000337710	0	35	-2.0	-125.75	317.21	5.21	-120.54
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=C1	REAL300000337711	0	40	-2.0	-142.50	349.73	5.12	-137.38
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=C1	REAL300000337712	0	40	-2.0	-126.60	361.15	4.20	-122.40
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=C1	REAL300000337713	1	40	-2.0	-129.95	360.73	6.75	-123.20
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC(F)=C2OC)=C1	REAL300000337714	0	36	-2.0	-132.80	328.95	5.20	-127.60
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=C1	REAL300000337715	0	38	-2.0	-135.37	346.18	5.15	-130.22
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC=C2Cl)=C1	REAL300000337716	0	29	-2.0	-125.02	297.90	3.98	-121.04
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Br)=NN2C)=C1	REAL300000337717	0	32	-2.0	-115.99	313.42	2.71	-113.28
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1	REAL300000337718	0	34	-2.0	-117.88	326.37	3.70	-114.18
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)=C1	REAL300000337719	0	37	-2.0	-144.85	333.16	4.15	-140.70
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1	REAL300000337720	0	33	-2.0	-116.40	307.36	3.32	-113.08
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1	REAL300000337721	0	35	-2.0	-132.75	331.32	5.97	-126.78
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1	REAL300000337722	0	35	-2.0	-143.97	337.38	4.24	-139.73
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=C1	REAL300000337723	0	39	-2.0	-123.19	344.42	4.26	-118.93
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)=C1	REAL300000337724	1	41	-2.0	-126.81	348.22	6.89	-119.92
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)=C1	REAL300000337725	0	40	-2.0	-129.51	344.39	4.30	-125.21
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000337726	1	41	-2.0	-132.18	360.80	1.76	-130.42
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1	REAL300000337727	0	35	-2.0	-132.91	322.25	4.82	-128.09
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC(OC)=C2OC)=C1	REAL300000337728	0	40	-2.0	-139.13	351.91	4.86	-134.27
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)=C1	REAL300000337729	0	45	-2.0	-132.43	381.22	5.45	-126.98
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=C1	REAL300000337730	0	39	-2.0	-129.33	347.77	4.46	-124.87
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1	REAL300000337731	1	36	-2.0	-128.76	331.73	4.12	-124.64
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1	REAL300000337732	0	35	-2.0	-138.08	321.91	3.75	-134.33
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=C1	REAL300000337733	0	37	-2.0	-149.49	337.02	2.94	-146.55
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=C1	REAL300000337734	0	39	-2.0	-129.76	333.15	6.51	-123.25
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)=C1	REAL300000337735	1	36	-2.0	-128.71	320.49	2.24	-126.47
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)[O-]	REAL300000337736	0	32	-2.0	-125.86	309.78	0.40	-125.46
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)NC=N2)=C1	REAL300000337737	0	32	-2.0	-140.18	291.41	2.61	-137.57
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1	REAL300000337739	0	35	-2.0	-126.59	326.20	4.92	-121.67
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=C1	REAL300000337740	0	42	-2.0	-131.19	364.00	4.95	-126.24
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)=C1	REAL300000337741	1	50	-2.0	-133.07	406.08	8.43	-124.64
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1	REAL300000337742	0	29	-2.0	-124.48	298.31	4.08	-120.40
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1	REAL300000337743	0	42	-2.0	-127.66	366.45	5.19	-122.47
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1	REAL300000337744	0	36	-2.0	-133.81	330.62	5.65	-128.16
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)=C1	REAL300000337745	1	45	-2.0	-138.73	382.27	2.94	-135.79
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(OC)C=CC3=CC=CN=C32)=C1	REAL300000337746	0	41	-2.0	-157.26	357.90	5.75	-151.51
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337747	1	41	-2.0	-131.87	356.87	6.75	-125.12
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337748	0	38	-2.0	-120.03	348.76	2.88	-117.15
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=C1	REAL300000337749	0	39	-2.0	-127.88	338.17	4.07	-123.81
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000337750	0	36	-2.0	-113.41	348.92	5.88	-107.53
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC=C2C)=C1	REAL300000337751	1	38	-2.0	-129.75	322.61	6.22	-123.53
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=C1	REAL300000337752	0	41	-2.0	-120.62	339.46	4.44	-116.18
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=C1	REAL300000337753	0	41	-2.0	-127.40	356.97	4.26	-123.14
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1	REAL300000337754	0	39	-2.0	-127.32	340.99	3.65	-123.67
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)=C1	REAL300000337755	0	37	-2.0	-117.81	343.40	4.36	-113.45
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=C1	REAL300000337756	0	43	-2.0	-127.08	366.74	5.36	-121.72
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=C1	REAL300000337757	0	34	-2.0	-109.75	331.50	5.29	-104.46
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=C1	REAL300000337758	0	35	-2.0	-118.26	337.95	5.62	-112.64
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1	REAL300000337759	1	35	-2.0	-128.30	320.48	5.35	-122.95
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1	REAL300000337760	0	32	-2.0	-125.50	314.02	4.93	-120.57
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1	REAL300000337761	0	32	-2.0	-118.96	324.22	4.64	-114.32
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=NN2C)=C1	REAL300000337762	0	35	-2.0	-121.58	313.64	2.81	-118.77
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2C)=C1	REAL300000337764	1	38	-2.0	-130.29	324.97	5.85	-124.44
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1	REAL300000337765	0	35	-2.0	-127.58	320.27	5.57	-122.01
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337766	1	43	-2.0	-139.93	377.06	6.57	-133.36
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)=C1	REAL300000337768	1	42	-2.0	-132.33	372.72	6.23	-126.10
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)=C1	REAL300000337769	1	38	-2.0	-123.61	354.93	5.57	-118.04
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)=C1	REAL300000337770	0	37	-2.0	-123.45	351.26	5.02	-118.43
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(COC(C)=O)C=C2)=C1	REAL300000337771	1	41	-2.0	-129.55	370.92	6.19	-123.36
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=C1	REAL300000337772	0	33	-2.0	-126.66	325.08	5.39	-121.27
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1	REAL300000337773	0	32	-2.0	-126.52	312.15	4.76	-121.76
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1	REAL300000337774	1	39	-2.0	-132.24	341.69	6.65	-125.59
COC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=CS1	REAL300000337775	0	33	-2.0	-132.51	314.74	2.98	-129.53
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=C1	REAL300000337776	0	35	-2.0	-124.23	323.46	5.96	-118.27
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337777	0	38	-2.0	-123.84	357.45	4.84	-119.00
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1	REAL300000337778	0	39	-2.0	-134.73	347.18	6.71	-128.02
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1	REAL300000337779	0	42	-2.0	-125.45	357.29	5.14	-120.31
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)[O-]	REAL300000337780	0	41	-2.0	-123.89	352.44	4.43	-119.46
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337781	1	41	-2.0	-134.77	363.69	2.06	-132.71
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)=C1	REAL300000337782	0	35	-2.0	-137.25	346.42	1.04	-136.21
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=C1	REAL300000337783	0	37	-2.0	-140.55	336.08	2.90	-137.65
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])O1	REAL300000337784	0	35	-2.0	-129.35	318.56	4.14	-125.21
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1	REAL300000337785	0	32	-2.0	-120.66	316.33	3.76	-116.90
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2OC)=C1	REAL300000337786	0	36	-2.0	-122.70	333.43	4.46	-118.24
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)=C1	REAL300000337787	0	46	-2.0	-128.62	390.80	3.68	-124.94
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=C1	REAL300000337788	1	38	-2.0	-130.19	345.69	6.07	-124.12
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300000337789	1	36	-2.0	-128.92	331.73	4.12	-124.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])S1	REAL300000337791	0	33	-2.0	-125.39	316.26	2.99	-122.40
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)=C1	REAL300000337792	0	43	-2.0	-149.05	363.90	6.83	-142.22
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300000337794	0	35	-2.0	-122.58	325.15	3.24	-119.34
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337795	1	42	-2.0	-131.94	369.40	5.23	-126.71
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)=C1	REAL300000337796	0	35	-2.0	-122.67	344.15	4.00	-118.67
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)=C1	REAL300000337797	0	42	-2.0	-125.71	372.15	5.73	-119.98
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1	REAL300000337798	0	45	-2.0	-126.81	378.87	5.48	-121.33
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300000337799	1	43	-2.0	-126.81	381.17	7.40	-119.41
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1	REAL300000337800	0	35	-2.0	-129.25	313.02	5.51	-123.74
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)[O-]	REAL300000337801	1	44	-2.0	-132.49	381.90	7.24	-125.25
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1	REAL300000337802	0	35	-2.0	-133.33	317.98	4.94	-128.39
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1	REAL300000337803	1	34	-2.0	-131.33	323.42	3.93	-127.40
CCN1N=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=N1	REAL300000337804	0	34	-2.0	-126.28	313.19	1.41	-124.87
CCN1N=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1Cl	REAL300000337805	0	35	-2.0	-121.78	334.15	3.46	-118.32
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=C1	REAL300000337806	0	34	-2.0	-122.84	332.69	3.74	-119.10
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1	REAL300000337807	0	29	-2.0	-122.17	292.22	3.15	-119.02
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=C1	REAL300000337808	0	37	-2.0	-138.92	345.68	5.50	-133.42
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)=C1	REAL300000337809	1	41	-2.0	-140.92	351.26	7.38	-133.54
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=C1	REAL300000337810	1	39	-2.0	-128.59	350.40	4.91	-123.68
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1	REAL300000337811	0	32	-2.0	-123.37	319.99	5.15	-118.22
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C)O2)=C1	REAL300000337812	0	38	-2.0	-142.57	356.10	0.83	-141.74
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)=C1	REAL300000337813	0	42	-2.0	-132.91	368.18	5.89	-127.02
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1	REAL300000337815	0	36	-2.0	-129.87	336.29	5.85	-124.02
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)=C1	REAL300000337816	0	35	-2.0	-115.61	337.91	5.36	-110.25
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)C=NS2)=C1	REAL300000337818	0	28	-2.0	-116.41	296.41	2.97	-113.44
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CO2)=C1	REAL300000337819	0	32	-2.0	-128.22	297.06	3.20	-125.02
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300000337820	1	42	-2.0	-128.44	379.14	6.44	-122.00
COC1=CSC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1OC	REAL300000337821	0	37	-2.0	-127.15	345.47	2.55	-124.60
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1	REAL300000337822	0	33	-2.0	-91.99	326.19	3.13	-88.86
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1	REAL300000337822	1	32	-3.0	-190.66	329.05	3.58	-187.08
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1	REAL300000337823	0	31	-2.0	-112.20	310.11	3.17	-109.03
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=C1	REAL300000337824	1	36	-2.0	-127.37	337.95	4.19	-123.18
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=C1	REAL300000337825	0	38	-2.0	-127.98	335.88	4.54	-123.44
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=C1	REAL300000337826	1	39	-2.0	-138.16	346.18	6.30	-131.86
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=C1	REAL300000337827	0	35	-2.0	-129.72	323.16	5.95	-123.77
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1	REAL300000337828	0	29	-2.0	-116.44	317.54	4.64	-111.80
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=C1	REAL300000337829	0	32	-2.0	-121.18	312.34	2.59	-118.59
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000337830	0	37	-2.0	-126.42	343.94	5.18	-121.24
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)=C1	REAL300000337831	1	43	-2.0	-133.47	381.21	7.39	-126.08
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=C1	REAL300000337832	0	38	-2.0	-139.68	329.06	6.34	-133.34
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C1	REAL300000337833	0	30	-2.0	-125.70	296.63	2.98	-122.72
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1	REAL300000337834	1	37	-2.0	-124.19	347.34	3.12	-121.07
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=C1	REAL300000337835	0	33	-2.0	-129.71	333.98	3.33	-126.38
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])S1	REAL300000337836	0	41	-2.0	-132.38	374.42	3.59	-128.79
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])S1	REAL300000337836	1	40	-3.0	-203.06	371.12	2.47	-200.59
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)=C1	REAL300000337837	0	34	-2.0	-116.80	320.22	3.93	-112.87
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337838	1	43	-2.0	-133.43	376.11	6.17	-127.26
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C(C2CC2)=N1	REAL300000337839	0	42	-2.0	-129.80	369.27	5.33	-124.47
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)=C1	REAL300000337840	0	36	-2.0	-133.95	330.72	3.90	-130.05
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=C1	REAL300000337841	1	38	-2.0	-127.74	355.12	7.32	-120.42
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)NC(=O)NC2=O)=C1	REAL300000337842	0	35	-2.0	-131.91	315.54	0.28	-131.63
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=NN2C2CCCC2)=C1	REAL300000337843	0	45	-2.0	-127.06	379.25	5.74	-121.32
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300000337844	0	29	-2.0	-123.74	291.24	3.04	-120.70
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1	REAL300000337845	0	29	-2.0	-121.86	301.29	4.05	-117.81
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337846	0	46	-2.0	-137.29	397.31	4.83	-132.46
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300000337847	0	38	-2.0	-133.41	351.33	7.39	-126.02
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=C1	REAL300000337848	0	40	-2.0	-124.97	344.75	2.29	-122.68
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1	REAL300000337849	1	39	-2.0	-132.25	336.03	6.71	-125.54
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)N=C2C)=C1	REAL300000337853	0	38	-2.0	-121.32	335.32	1.98	-119.34
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)=C1	REAL300000337854	0	38	-2.0	-134.07	339.89	2.35	-131.72
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2OC)=C1	REAL300000337855	0	35	-2.0	-126.37	335.19	2.20	-124.17
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)=C1	REAL300000337856	0	38	-2.0	-123.24	339.79	1.95	-121.29
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=C1	REAL300000337857	0	41	-2.0	-125.47	355.42	4.69	-120.78
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)=C1	REAL300000337858	0	41	-2.0	-127.66	357.92	4.22	-123.44
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1	REAL300000337859	0	31	-2.0	-129.14	320.13	2.49	-126.65
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C1	REAL300000337860	0	30	-2.0	-128.05	295.44	2.94	-125.11
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C1	REAL300000337861	0	30	-2.0	-129.52	301.97	3.91	-125.61
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C(C)C)=C1	REAL300000337862	0	38	-2.0	-123.15	334.20	3.81	-119.34
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C1C	REAL300000337863	0	40	-2.0	-120.31	359.25	3.91	-116.40
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000337864	0	42	-2.0	-106.98	365.49	6.92	-100.06
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000337864	1	41	-3.0	-196.25	367.06	6.99	-189.26
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])=C1	REAL300000337865	0	35	-2.0	-133.21	334.34	6.35	-126.86
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1	REAL300000337866	0	39	-2.0	-122.20	344.69	4.65	-117.55
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300000337867	0	39	-2.0	-130.67	344.42	5.75	-124.92
COC1=NOC(CS(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300000337868	0	35	-2.0	-119.38	323.53	0.87	-118.51
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)=C1	REAL300000337869	0	41	-2.0	-126.06	356.96	4.28	-121.78
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000337870	1	39	-2.0	-131.08	352.33	6.74	-124.34
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1	REAL300000337871	0	34	-2.0	-128.59	321.71	3.65	-124.94
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=C1	REAL300000337872	0	32	-2.0	-127.31	331.12	0.73	-126.58
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000337874	1	39	-2.0	-132.58	353.98	6.78	-125.80
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1	REAL300000337875	0	36	-2.0	-132.00	342.93	5.00	-127.00
COC1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000337876	0	42	-2.0	-107.99	363.41	6.91	-101.08
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000337876	1	41	-3.0	-210.71	365.03	6.97	-203.74
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300000337877	1	33	-2.0	-130.48	303.50	1.69	-128.79
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1	REAL300000337878	0	35	-2.0	-133.11	330.14	5.47	-127.64
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000337879	0	28	-2.0	-117.92	278.13	2.14	-115.78
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000337880	0	36	-2.0	-142.99	340.53	3.80	-139.19
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1	REAL300000337881	1	39	-2.0	-138.11	348.30	6.84	-131.27
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2Cl)=C1	REAL300000337882	0	35	-2.0	-127.61	339.52	6.15	-121.46
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=C1	REAL300000337883	0	39	-2.0	-129.86	360.42	5.58	-124.28
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C=C2C(F)F)=C1	REAL300000337884	0	39	-2.0	-133.02	341.72	5.10	-127.92
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)=C1	REAL300000337885	0	40	-2.0	-148.67	350.20	5.70	-142.97
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000337886	0	37	-3.0	-191.46	339.27	4.98	-186.48
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)=C1	REAL300000337887	0	45	-2.0	-141.09	381.93	6.54	-134.55
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)=C1	REAL300000337888	0	32	-2.0	-119.29	319.02	4.93	-114.36
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000337889	0	28	-2.0	-123.14	279.06	1.66	-121.48
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1	REAL300000337890	0	39	-2.0	-128.08	338.21	3.85	-124.23
COC1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=C1	REAL300000337891	0	35	-2.0	-135.61	319.37	5.27	-130.34
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000337892	1	46	-2.0	-134.17	394.01	8.21	-125.96
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C(C(=O)[O-])=C1	REAL300000337895	0	40	-2.0	-138.70	347.73	7.83	-130.87
CC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000337896	0	43	-2.0	-96.91	370.80	7.20	-89.71
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C(C(=O)[O-])=C1	REAL300000337897	0	39	-2.0	-119.52	351.09	6.18	-113.34
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000337898	1	41	-2.0	-125.45	360.05	7.95	-117.50
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C(C(=O)[O-])=C1	REAL300000337899	1	41	-2.0	-120.94	360.04	7.94	-113.00
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C(C(=O)[O-])=C1	REAL300000337900	0	40	-2.0	-127.35	361.45	8.13	-119.22
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000337901	0	41	-2.0	-138.18	357.34	7.84	-130.34
CC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000337902	0	43	-2.0	-101.68	370.29	8.07	-93.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000337903	1	45	-2.0	-128.31	383.43	8.74	-119.57
CC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000337905	0	43	-2.0	-103.21	365.74	8.05	-95.16
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000337906	0	48	-2.0	-138.85	396.96	6.63	-132.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1OC	REAL300000337907	1	48	-2.0	-129.28	397.97	6.76	-122.52
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000337909	0	42	-2.0	-119.90	354.15	6.47	-113.43
CC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000337910	0	43	-2.0	-119.79	365.84	8.05	-111.74
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000337910	1	42	-3.0	-208.80	367.69	8.11	-200.69
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000337911	1	40	-2.0	-118.89	351.94	7.67	-111.22
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000337912	1	43	-2.0	-132.31	360.65	8.22	-124.09
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000337914	1	40	-2.0	-126.73	355.96	8.07	-118.66
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1	REAL300000337915	1	45	-2.0	-128.78	380.47	7.96	-120.82
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000337916	1	46	-2.0	-131.18	376.12	8.99	-122.19
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000337918	1	40	-2.0	-119.25	361.83	8.12	-111.13
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000337919	1	45	-2.0	-141.19	379.72	7.94	-133.25
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000337924	0	37	-2.0	-121.77	348.20	7.16	-114.61
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000337926	0	44	-2.0	-137.81	367.48	7.34	-130.47
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000337927	0	46	-2.0	-102.19	381.74	8.58	-93.61
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000337928	0	40	-2.0	-125.34	357.31	7.74	-117.60
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000337929	0	40	-2.0	-130.64	352.36	8.12	-122.52
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000337930	1	42	-2.0	-126.49	367.45	8.22	-118.27
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000337931	1	45	-2.0	-122.93	382.93	9.00	-113.93
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C(C(=O)[O-])=C1	REAL300000337932	0	37	-2.0	-128.32	331.16	6.55	-121.77
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000337934	0	42	-2.0	-143.25	360.32	8.97	-134.28
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000337937	0	40	-2.0	-126.36	351.12	7.68	-118.68
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000337938	1	40	-2.0	-126.86	345.63	7.62	-119.24
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000337939	1	40	-2.0	-119.98	352.05	7.69	-112.29
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C(C(=O)[O-])=C1	REAL300000337941	1	46	-2.0	-131.59	383.71	6.71	-124.88
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C(C(=O)[O-])=C1	REAL300000337943	1	40	-2.0	-123.28	355.96	8.07	-115.21
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000337944	0	42	-2.0	-116.58	367.45	8.22	-108.36
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000337945	1	40	-2.0	-131.13	339.22	7.55	-123.58
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1	REAL300000337946	1	47	-2.0	-135.76	395.56	6.44	-129.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])S1	REAL300000337947	0	40	-2.0	-130.01	353.05	7.35	-122.66
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000337948	0	44	-2.0	-129.72	384.20	7.87	-121.85
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(=O)[O-])=C1	REAL300000337949	0	42	-3.0	-202.63	373.16	8.17	-194.46
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000337950	1	45	-2.0	-126.45	377.47	8.83	-117.62
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000337951	0	40	-2.0	-129.19	351.12	7.68	-121.51
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C(C(=O)[O-])=C1	REAL300000337952	1	44	-2.0	-124.25	374.97	4.37	-119.88
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1	REAL300000337953	1	44	-2.0	-128.67	379.42	8.57	-120.10
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C(C(=O)[O-])=C1	REAL300000337954	1	45	-2.0	-125.81	381.25	6.00	-119.81
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(=O)[O-])=C1	REAL300000337955	0	39	-3.0	-200.99	360.88	7.14	-193.85
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C(C(=O)[O-])=C1	REAL300000337956	1	43	-2.0	-123.57	370.97	5.04	-118.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000337958	0	46	-2.0	-98.99	380.35	8.86	-90.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000337958	1	45	-3.0	-203.63	383.12	8.89	-194.74
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000337959	0	46	-2.0	-129.09	375.92	6.58	-122.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1	REAL300000337960	1	46	-2.0	-124.71	393.99	8.22	-116.49
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1	REAL300000337961	1	47	-2.0	-129.15	395.66	5.83	-123.32
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C(C(=O)[O-])=C1	REAL300000337962	1	44	-2.0	-128.84	373.73	4.33	-124.51
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000337964	1	46	-2.0	-135.39	385.18	9.84	-125.55
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=CS1	REAL300000337965	0	43	-2.0	-140.01	378.81	7.86	-132.15
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1	REAL300000337966	1	50	-2.0	-129.58	415.80	8.06	-121.52
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C(C(=O)[O-])=C1	REAL300000337969	0	40	-2.0	-136.17	344.72	7.61	-128.56
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C)C=C3C(=O)[O-])=C2N=C1	REAL300000337970	0	48	-2.0	-149.33	400.57	8.82	-140.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(Cl)=C1	REAL300000337972	0	43	-2.0	-130.87	373.77	8.78	-122.09
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C(C(=O)[O-])=C1	REAL300000337974	0	40	-2.0	-121.51	358.75	8.18	-113.33
CN1C=C(S(=O)(=O)NC2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000337976	0	44	-2.0	-117.30	374.19	7.45	-109.85
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000337976	1	43	-3.0	-206.45	374.34	7.47	-198.98
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1Cl	REAL300000337977	0	40	-2.0	-137.37	356.70	7.12	-130.25
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1C(N)=O	REAL300000337978	0	45	-2.0	-127.22	381.17	3.72	-123.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1Cl	REAL300000337979	1	44	-2.0	-126.25	384.75	7.41	-118.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1F	REAL300000337980	1	44	-2.0	-126.01	374.95	6.93	-119.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1C(N)=O	REAL300000337983	1	47	-2.0	-124.19	389.83	5.00	-119.19
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=N1	REAL300000337984	0	40	-2.0	-126.34	343.77	5.25	-121.09
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000337985	1	45	-2.0	-115.75	382.93	9.00	-106.75
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CN1C	REAL300000337987	0	48	-2.0	-128.16	403.11	5.21	-122.95
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000337988	1	43	-2.0	-125.03	371.44	8.85	-116.18
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000337991	0	42	-3.0	-196.37	376.80	7.80	-188.57
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000337992	1	41	-2.0	-117.39	375.44	8.36	-109.03
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C(C(=O)[O-])=C1	REAL300000337993	1	41	-2.0	-117.95	375.47	8.36	-109.59
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000337994	1	44	-2.0	-134.65	377.59	7.92	-126.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1Cl	REAL300000337995	1	43	-2.0	-127.85	374.70	8.66	-119.19
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000337996	0	40	-2.0	-132.88	360.89	8.12	-124.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1F	REAL300000337997	1	43	-2.0	-127.65	365.96	8.26	-119.39
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000337998	1	43	-2.0	-122.42	371.44	8.84	-113.58
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000337999	0	43	-2.0	-136.84	366.12	8.28	-128.56
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338000	1	43	-2.0	-124.88	361.11	8.39	-116.49
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338002	0	45	-2.0	-142.90	377.62	9.90	-133.00
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338003	0	48	-2.0	-149.53	400.49	8.83	-140.70
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000338004	0	39	-3.0	-202.76	359.34	7.15	-195.61
CC(C)(C)C1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000338004	1	40	-2.0	-101.22	358.83	7.12	-94.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300000338005	1	48	-2.0	-132.82	389.32	8.94	-123.88
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000338006	0	42	-2.0	-134.64	364.14	8.99	-125.65
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000338007	0	42	-2.0	-139.68	372.62	8.93	-130.75
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338010	0	44	-2.0	-130.11	370.41	5.92	-124.19
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338010	1	44	-2.0	-115.22	364.24	6.77	-108.45
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C(C(=O)[O-])=C1	REAL300000338011	0	37	-2.0	-122.89	320.81	3.94	-118.95
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])S1	REAL300000338012	0	43	-2.0	-122.46	387.10	7.31	-115.15
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C(C(=O)[O-])=C1	REAL300000338013	1	44	-2.0	-120.78	377.03	7.92	-112.86
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000338014	0	40	-2.0	-127.13	354.14	7.91	-119.22
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000338015	0	42	-3.0	-195.64	370.70	7.26	-188.38
CC1=C(S(=O)(=O)NC2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000338015	1	43	-2.0	-99.08	368.36	6.79	-92.29
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C(C(=O)[O-])=C1	REAL300000338016	0	43	-2.0	-152.52	367.42	6.75	-145.77
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338017	0	50	-2.0	-140.59	410.75	8.93	-131.66
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000338018	0	42	-2.0	-146.78	365.25	9.18	-137.60
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000338019	0	47	-2.0	-129.51	399.79	8.67	-120.84
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000338020	0	39	-2.0	-120.01	340.65	5.83	-114.18
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338021	0	43	-2.0	-128.36	387.28	7.21	-121.15
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)C(C(=O)[O-])=C1	REAL300000338022	1	45	-2.0	-132.29	375.39	7.97	-124.32
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338023	0	40	-2.0	-138.49	343.24	6.65	-131.84
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C)C=C3C(=O)[O-])C=C12	REAL300000338025	0	44	-2.0	-118.90	378.98	4.53	-114.37
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C(C(=O)[O-])=C1	REAL300000338026	0	40	-2.0	-116.88	355.17	6.08	-110.80
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000338027	0	40	-2.0	-134.33	351.00	7.68	-126.65
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(F)=C1	REAL300000338028	0	44	-2.0	-133.59	377.20	7.14	-126.45
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C(C(=O)[O-])=C1	REAL300000338029	0	46	-2.0	-137.34	382.36	7.20	-130.14
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CN1C	REAL300000338030	0	43	-2.0	-144.51	362.92	6.44	-138.07
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000338031	0	44	-2.0	-132.53	377.24	7.60	-124.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=N1	REAL300000338032	0	43	-2.0	-126.82	365.30	6.12	-120.70
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338033	1	47	-2.0	-132.72	394.29	7.27	-125.45
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C(C(=O)[O-])=C1	REAL300000338034	1	45	-2.0	-129.90	375.20	6.84	-123.06
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000338035	0	40	-2.0	-124.27	358.76	8.18	-116.09
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338038	0	40	-2.0	-124.33	341.48	4.54	-119.79
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338039	1	44	-2.0	-133.31	368.73	6.85	-126.46
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338040	1	43	-2.0	-130.00	354.29	8.34	-121.66
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=N1	REAL300000338041	0	40	-2.0	-139.06	344.24	5.07	-133.99
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338042	0	40	-2.0	-121.47	338.44	5.25	-116.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(F)=C1	REAL300000338048	0	43	-2.0	-136.28	366.14	8.29	-127.99
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C(C(=O)[O-])=C1	REAL300000338050	0	37	-2.0	-135.95	320.53	4.95	-131.00
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])O1	REAL300000338051	0	43	-2.0	-123.85	378.77	6.35	-117.50
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000338052	0	45	-2.0	-148.90	379.16	8.18	-140.72
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000338053	0	40	-2.0	-119.87	357.43	7.74	-112.13
CC1=C(S(=O)(=O)NC2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000338054	0	43	-2.0	-101.50	374.78	7.54	-93.96
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000338054	1	42	-3.0	-199.15	377.38	8.00	-191.15
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338055	0	44	-2.0	-130.96	381.83	7.41	-123.55
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CN=C1Cl	REAL300000338056	0	42	-2.0	-120.99	369.87	6.76	-114.23
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338059	0	52	-2.0	-129.92	417.33	8.19	-121.73
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])SC=C1	REAL300000338060	0	40	-2.0	-129.21	346.95	7.37	-121.84
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1C	REAL300000338061	0	49	-2.0	-129.15	398.66	7.49	-121.66
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000338062	0	45	-2.0	-117.92	383.46	8.73	-109.19
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338065	1	44	-2.0	-123.30	375.49	8.72	-114.58
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338066	0	44	-2.0	-132.14	376.90	8.01	-124.13
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338067	1	44	-2.0	-120.06	375.47	8.71	-111.35
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000338069	0	41	-2.0	-125.09	365.51	8.01	-117.08
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C)C=C3C(=O)[O-])C=C2O1	REAL300000338070	1	45	-2.0	-128.62	382.89	5.21	-123.41
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=N1	REAL300000338071	0	46	-2.0	-127.39	383.99	6.63	-120.76
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C(C(=O)[O-])=C1	REAL300000338073	1	45	-2.0	-132.16	380.19	7.94	-124.22
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=N1	REAL300000338074	0	46	-2.0	-130.76	398.60	6.32	-124.44
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CN1	REAL300000338075	0	46	-2.0	-141.92	383.19	5.99	-135.93
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000338078	1	40	-2.0	-112.90	358.21	7.74	-105.16
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CN1C	REAL300000338080	0	47	-2.0	-133.23	400.39	7.66	-125.57
CC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000338081	0	43	-2.0	-102.14	370.18	8.09	-94.05
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000338081	1	42	-3.0	-190.77	372.21	8.15	-182.62
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(=O)[O-])=C1	REAL300000338083	0	39	-3.0	-194.47	359.95	7.24	-187.23
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338084	0	49	-2.0	-138.07	403.80	8.53	-129.54
CC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000338085	0	43	-2.0	-96.52	372.19	8.12	-88.40
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000338085	1	42	-3.0	-198.13	374.11	8.18	-189.95
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CN1	REAL300000338086	0	44	-2.0	-129.71	382.62	5.89	-123.82
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000338087	0	42	-3.0	-193.46	373.14	8.18	-185.28
CC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000338087	1	43	-2.0	-108.10	370.69	7.72	-100.38
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338088	1	43	-2.0	-126.56	359.61	8.37	-118.19
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CS1	REAL300000338089	0	43	-2.0	-128.57	386.51	7.23	-121.34
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])S1	REAL300000338090	0	42	-2.0	-126.63	363.50	6.15	-120.48
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C(C(=O)[O-])=C1	REAL300000338091	1	44	-2.0	-133.81	381.47	8.73	-125.08
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338092	1	46	-2.0	-132.74	382.12	8.98	-123.76
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338093	1	43	-2.0	-127.40	367.05	8.28	-119.12
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338095	0	46	-2.0	-125.64	397.12	7.01	-118.63
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C(F)C=C1F	REAL300000338096	0	43	-2.0	-126.99	371.44	8.31	-118.68
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000338097	1	46	-2.0	-140.85	380.27	9.86	-130.99
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C(C(=O)[O-])=C1	REAL300000338098	0	42	-2.0	-128.55	371.21	7.03	-121.52
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(=O)[O-])=C1	REAL300000338099	0	43	-3.0	-199.64	377.40	5.81	-193.83
CC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000338099	1	43	-3.0	-202.82	371.22	6.68	-196.14
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C(C(=O)[O-])=C1	REAL300000338100	1	50	-2.0	-135.44	394.53	10.18	-125.26
CC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000338101	0	46	-2.0	-101.42	388.25	8.84	-92.58
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000338101	1	45	-3.0	-193.88	389.86	8.90	-184.98
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])O1	REAL300000338102	0	46	-2.0	-124.21	400.63	7.28	-116.93
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000338103	0	42	-2.0	-117.73	373.86	8.28	-109.45
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])SC=C1	REAL300000338105	0	41	-2.0	-136.50	361.39	5.83	-130.67
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(C(=O)[O-])=C1	REAL300000338106	0	43	-2.0	-134.50	368.99	7.94	-126.56
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C)C=C3C(=O)[O-])C=CC=C2C=C1	REAL300000338107	0	48	-2.0	-151.05	400.74	8.79	-142.26
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338108	0	42	-2.0	-134.99	372.47	6.29	-128.70
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338109	0	40	-2.0	-118.93	354.20	6.50	-112.43
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])N=C1Cl	REAL300000338110	0	40	-2.0	-138.25	359.57	6.38	-131.87
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CC(OC)=C1	REAL300000338111	1	48	-2.0	-134.70	398.21	6.16	-128.54
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C(C(=O)[O-])=C1	REAL300000338112	0	41	-2.0	-136.51	355.06	6.29	-130.22
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C(C(=O)[O-])=C1	REAL300000338113	0	41	-2.0	-118.79	361.45	5.39	-113.40
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])S1	REAL300000338114	0	39	-2.0	-126.02	347.75	5.38	-120.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338115	0	46	-2.0	-120.48	374.73	8.72	-111.76
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338115	1	45	-3.0	-209.86	377.73	8.76	-201.10
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338117	0	46	-2.0	-101.72	380.32	8.84	-92.88
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000338118	0	41	-2.0	-125.65	368.53	8.23	-117.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1F	REAL300000338119	0	43	-2.0	-129.47	371.44	8.32	-121.15
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338122	0	46	-2.0	-138.50	384.67	7.94	-130.56
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=N1	REAL300000338123	0	45	-2.0	-120.43	389.96	6.38	-114.05
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338124	1	48	-2.0	-141.57	402.32	8.82	-132.75
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=N1	REAL300000338125	0	47	-2.0	-124.83	398.98	5.17	-119.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000338126	0	45	-2.0	-136.74	389.54	8.39	-128.35
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1C#N	REAL300000338128	0	44	-2.0	-139.98	376.48	8.35	-131.63
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])S1	REAL300000338129	0	49	-2.0	-131.19	412.22	9.20	-121.99
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338130	0	46	-2.0	-137.91	386.55	8.31	-129.60
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C(C(=O)[O-])=C1	REAL300000338131	0	48	-2.0	-125.16	397.26	5.29	-119.87
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1F	REAL300000338132	0	43	-2.0	-137.95	365.04	8.27	-129.68
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=N1	REAL300000338133	1	46	-2.0	-123.06	388.26	5.18	-117.88
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C(C(=O)[O-])=C1	REAL300000338134	0	47	-2.0	-146.15	385.17	7.58	-138.57
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1	REAL300000338135	1	47	-2.0	-130.20	394.29	7.28	-122.92
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338136	0	45	-2.0	-129.98	378.49	4.54	-125.44
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1Cl	REAL300000338137	0	43	-2.0	-132.21	371.09	8.70	-123.51
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C(C)O1	REAL300000338139	0	43	-2.0	-127.05	362.21	7.13	-119.92
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338141	1	47	-2.0	-129.86	385.83	7.58	-122.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])O1	REAL300000338143	0	40	-2.0	-130.34	343.82	6.37	-123.97
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338144	0	43	-2.0	-131.61	372.87	7.97	-123.64
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C(C(=O)[O-])=C1	REAL300000338145	1	43	-2.0	-127.13	365.28	6.21	-120.92
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000338146	0	48	-2.0	-148.96	392.86	9.31	-139.65
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000338147	0	42	-2.0	-114.23	371.98	8.25	-105.98
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000338148	1	40	-2.0	-120.44	362.38	8.14	-112.30
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C(C)O1	REAL300000338149	0	46	-2.0	-121.39	397.09	7.11	-114.28
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000338150	0	39	-2.0	-120.30	350.99	6.25	-114.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])N=C1C	REAL300000338151	0	46	-2.0	-144.53	384.93	7.35	-137.18
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338152	0	43	-2.0	-131.42	373.77	8.78	-122.64
CCN1C=C(S(=O)(=O)NC2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000338153	0	47	-2.0	-104.92	395.55	8.32	-96.60
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000338153	1	46	-3.0	-208.35	395.72	8.32	-200.03
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338154	0	43	-2.0	-128.23	379.11	6.30	-121.93
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338155	0	52	-2.0	-130.48	418.74	8.11	-122.37
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000338156	0	40	-2.0	-134.57	355.28	8.34	-126.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(Cl)=N1	REAL300000338157	0	42	-2.0	-129.15	369.12	6.87	-122.28
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338158	0	45	-2.0	-127.10	388.27	7.74	-119.36
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])S1	REAL300000338159	0	42	-2.0	-125.83	369.24	6.13	-119.70
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])S1	REAL300000338160	0	42	-2.0	-123.64	377.35	7.88	-115.76
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CN=C1Cl	REAL300000338161	0	43	-2.0	-118.77	380.07	5.49	-113.28
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C(C(=O)[O-])=C1	REAL300000338163	0	41	-2.0	-120.28	373.12	8.51	-111.77
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C(C(=O)[O-])=C1	REAL300000338164	0	43	-2.0	-141.29	367.16	7.86	-133.43
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338165	0	45	-2.0	-125.94	389.20	6.40	-119.54
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338169	0	40	-2.0	-122.91	368.19	7.78	-115.13
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000338170	1	43	-2.0	-131.33	371.41	8.42	-122.91
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000338171	0	43	-2.0	-123.96	378.30	6.41	-117.55
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338172	1	44	-2.0	-136.19	375.30	8.62	-127.57
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CC=C1F	REAL300000338173	1	44	-2.0	-122.32	374.96	6.93	-115.39
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C(C(=O)[O-])=C1	REAL300000338174	0	39	-2.0	-136.67	351.92	7.95	-128.72
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C(C(=O)[O-])=C1	REAL300000338175	0	37	-2.0	-128.63	321.91	5.55	-123.08
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338176	0	39	-2.0	-116.59	333.63	3.97	-112.62
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C)C=C3C(=O)[O-])=CN=C21	REAL300000338177	1	45	-2.0	-124.36	383.60	6.68	-117.68
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000338178	0	39	-2.0	-118.60	360.40	7.32	-111.28
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C(C(=O)[O-])=C1	REAL300000338179	0	44	-2.0	-135.68	367.35	6.98	-128.70
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000338180	0	41	-2.0	-122.98	373.15	8.51	-114.47
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338181	1	46	-2.0	-124.31	364.99	9.06	-115.25
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C(C(=O)[O-])=C1	REAL300000338183	0	44	-2.0	-146.12	377.62	7.63	-138.49
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C)C=C3C(=O)[O-])C=CC=C12	REAL300000338184	0	48	-2.0	-149.27	397.11	8.73	-140.54
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000338186	0	41	-2.0	-137.79	363.99	5.86	-131.93
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338187	0	43	-2.0	-126.97	363.82	5.02	-121.95
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-])OCO2	REAL300000338188	1	46	-2.0	-125.32	380.72	6.99	-118.33
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])S1	REAL300000338191	0	43	-2.0	-133.47	384.18	5.05	-128.42
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])S1	REAL300000338191	1	42	-3.0	-203.07	380.88	3.91	-199.16
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C(C(=O)[O-])=C1	REAL300000338192	1	44	-2.0	-134.13	363.90	8.88	-125.25
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C(C(=O)[O-])=C1	REAL300000338193	1	44	-2.0	-133.41	381.49	8.71	-124.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(N)=NO1	REAL300000338195	0	41	-2.0	-119.54	346.76	4.92	-114.62
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338196	0	44	-2.0	-132.46	384.21	7.86	-124.60
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000338197	0	41	-2.0	-124.06	366.73	6.32	-117.74
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338199	1	47	-2.0	-131.56	384.19	7.62	-123.94
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C(C(=O)[O-])=C1	REAL300000338201	0	38	-2.0	-118.56	351.75	7.10	-111.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=N1	REAL300000338202	0	42	-2.0	-127.51	355.83	6.39	-121.12
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C(C(=O)[O-])=C1	REAL300000338203	0	45	-2.0	-131.55	380.41	7.92	-123.63
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CC=C1C#N	REAL300000338204	1	44	-2.0	-121.04	379.21	8.44	-112.60
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000338205	0	39	-2.0	-113.92	356.96	6.23	-107.69
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(F)=C1	REAL300000338207	0	44	-2.0	-133.28	374.20	6.90	-126.38
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000338209	1	43	-2.0	-128.24	373.40	8.48	-119.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])N(C)N=C1	REAL300000338211	0	43	-2.0	-123.02	356.11	6.02	-117.00
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C(C(=O)[O-])=C1	REAL300000338213	0	38	-2.0	-120.13	343.16	6.10	-114.03
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C(C(=O)[O-])=C1	REAL300000338214	0	37	-2.0	-126.07	330.34	6.46	-119.61
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=COC=C2)C(C(=O)[O-])=C1	REAL300000338215	0	37	-2.0	-126.32	321.76	5.44	-120.88
CC1=CC(S(=O)(=O)NC2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000338216	0	46	-2.0	-103.86	382.83	8.66	-95.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=N1	REAL300000338217	1	43	-2.0	-122.85	366.41	4.23	-118.62
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C(C(=O)[O-])=C1	REAL300000338218	0	40	-2.0	-129.50	361.45	8.13	-121.37
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338219	1	51	-2.0	-125.94	417.35	8.68	-117.26
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000338220	0	43	-2.0	-133.26	375.78	8.91	-124.35
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000338221	0	43	-2.0	-135.01	365.83	6.18	-128.83
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338222	1	47	-2.0	-133.65	390.58	7.78	-125.87
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C)C=C3C(=O)[O-])C=C2C=C1	REAL300000338224	1	49	-2.0	-135.16	406.53	10.48	-124.68
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C(C(=O)[O-])=C1	REAL300000338225	0	37	-2.0	-125.30	347.20	7.00	-118.30
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338226	0	40	-2.0	-128.85	352.81	7.21	-121.64
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C(C(=O)[O-])=C1	REAL300000338227	0	37	-2.0	-124.09	337.51	4.36	-119.73
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C(C(=O)[O-])=C1	REAL300000338228	0	39	-2.0	-124.75	346.15	5.67	-119.08
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338229	0	49	-2.0	-124.90	403.76	6.61	-118.29
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=N1	REAL300000338230	1	49	-2.0	-123.81	408.40	6.11	-117.70
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(C(=O)[O-])=C1	REAL300000338232	0	43	-2.0	-127.30	375.40	8.01	-119.29
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338233	0	39	-2.0	-121.88	347.71	5.85	-116.03
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C(C(=O)[O-])=C1	REAL300000338237	0	37	-2.0	-127.23	337.50	6.59	-120.64
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C(C(=O)[O-])=C1	REAL300000338238	1	41	-2.0	-117.29	365.94	7.99	-109.30
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C(C(=O)[O-])=C1	REAL300000338242	0	37	-2.0	-134.48	320.85	4.14	-130.34
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000338243	0	45	-2.0	-135.25	376.21	4.46	-130.79
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])S1	REAL300000338244	0	43	-2.0	-132.50	370.67	8.08	-124.42
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000338245	0	41	-2.0	-117.35	362.62	6.41	-110.94
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338246	0	42	-2.0	-119.37	366.78	6.93	-112.44
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=NN1C	REAL300000338250	0	43	-2.0	-125.74	359.89	5.79	-119.95
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1	REAL300000338251	1	44	-2.0	-131.59	370.31	8.64	-122.95
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338252	0	43	-2.0	-127.91	362.61	5.91	-122.00
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000338253	0	40	-2.0	-118.32	355.08	6.15	-112.17
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000338256	0	40	-2.0	-125.42	354.90	5.08	-120.34
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CC=C1Cl	REAL300000338258	1	44	-2.0	-123.25	384.77	7.41	-115.84
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C(C(=O)[O-])=C1	REAL300000338259	0	44	-2.0	-138.04	390.81	4.19	-133.85
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000338260	0	42	-3.0	-219.67	371.33	8.14	-211.53
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C(C(=O)[O-])=C1	REAL300000338261	0	42	-2.0	-142.27	370.43	6.98	-135.29
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C(C(=O)[O-])=C1	REAL300000338262	1	45	-2.0	-133.80	375.03	7.39	-126.41
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338264	0	43	-2.0	-131.05	366.35	9.06	-121.99
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C(C(=O)[O-])=C1	REAL300000338265	0	45	-2.0	-141.60	375.48	7.38	-134.22
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(F)=C1	REAL300000338270	0	43	-2.0	-138.05	369.14	8.51	-129.54
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C)C=C3C(=O)[O-])=CC=C21	REAL300000338271	1	45	-2.0	-129.01	383.08	6.00	-123.01
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338273	0	44	-2.0	-132.31	373.89	7.40	-124.91
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1Cl	REAL300000338275	0	43	-2.0	-119.29	382.48	4.79	-114.50
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338276	0	39	-2.0	-118.91	336.18	5.51	-113.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CC=C1Cl	REAL300000338277	1	43	-2.0	-124.71	374.69	8.66	-116.05
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000338278	1	46	-2.0	-140.54	387.34	8.54	-132.00
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000338279	0	42	-2.0	-137.26	373.81	8.75	-128.51
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C(C(=O)[O-])=C1	REAL300000338281	0	39	-2.0	-133.73	339.73	5.74	-127.99
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C(C(=O)[O-])=C1	REAL300000338284	0	39	-2.0	-118.38	340.64	5.70	-112.68
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C(C(=O)[O-])=C1	REAL300000338286	0	38	-2.0	-132.81	349.64	6.94	-125.87
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000338289	1	40	-2.0	-119.80	361.83	8.12	-111.68
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C(C(=O)[O-])=C1	REAL300000338290	0	48	-2.0	-141.32	391.41	8.76	-132.56
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338296	1	47	-2.0	-141.87	395.16	4.99	-136.88
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])N1C	REAL300000338300	0	43	-2.0	-127.61	358.37	6.60	-121.01
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])O1	REAL300000338303	0	46	-2.0	-125.14	396.67	6.93	-118.21
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000338304	0	43	-2.0	-127.26	378.97	7.06	-120.20
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C(C(=O)[O-])=C1	REAL300000338305	0	39	-2.0	-125.71	356.60	6.16	-119.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(F)=C1F	REAL300000338307	0	43	-2.0	-134.83	371.35	8.33	-126.50
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=N1	REAL300000338308	0	42	-2.0	-142.32	366.32	6.53	-135.79
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(C)=N1	REAL300000338309	0	52	-2.0	-127.64	427.14	8.32	-119.32
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(=O)[O-])=C1	REAL300000338310	0	41	-3.0	-207.11	363.90	6.23	-200.88
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338311	0	44	-2.0	-124.18	368.03	7.52	-116.66
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000338312	1	41	-2.0	-118.69	366.49	8.01	-110.68
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C(C(=O)[O-])=C1	REAL300000338313	0	42	-2.0	-142.30	362.39	6.74	-135.56
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C(C(=O)[O-])=C1	REAL300000338313	1	42	-2.0	-128.68	362.49	6.60	-122.08
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000338314	0	44	-2.0	-140.00	372.96	7.52	-132.48
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338315	0	50	-2.0	-128.57	400.22	7.67	-120.90
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(C(C)(C)C)=N1	REAL300000338316	0	52	-2.0	-125.05	404.64	8.08	-116.97
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000338318	0	50	-2.0	-128.62	406.63	7.89	-120.73
CC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000338320	0	41	-2.0	-108.11	349.22	6.16	-101.95
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C(C(=O)[O-])=C1	REAL300000338320	1	41	-2.0	-123.21	355.41	5.31	-117.90
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338322	0	46	-2.0	-124.74	378.41	6.61	-118.13
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1F	REAL300000338323	1	45	-2.0	-128.51	385.01	8.05	-120.46
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C(C(=O)[O-])=C1	REAL300000338324	0	40	-2.0	-121.36	344.44	4.90	-116.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(C#N)=C1	REAL300000338325	0	44	-2.0	-137.38	378.73	8.50	-128.88
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338326	0	44	-2.0	-135.88	370.98	8.79	-127.09
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C(C(=O)[O-])=C1	REAL300000338328	1	47	-2.0	-133.05	402.98	9.51	-123.54
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338330	0	40	-2.0	-118.86	358.47	3.35	-115.51
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C(C(=O)[O-])=C1	REAL300000338332	0	36	-2.0	-121.08	325.97	5.25	-115.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000338335	0	44	-2.0	-124.82	378.76	3.16	-121.66
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338336	1	49	-2.0	-123.86	386.42	9.86	-114.00
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000338337	0	40	-2.0	-133.06	353.60	7.67	-125.39
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C(C(=O)[O-])=C1	REAL300000338339	1	45	-2.0	-141.18	375.47	8.06	-133.12
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338340	0	47	-2.0	-131.14	400.64	7.74	-123.40
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C(C(=O)[O-])=C1	REAL300000338341	0	41	-2.0	-132.98	365.05	7.97	-125.01
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])N=N1	REAL300000338342	0	39	-2.0	-131.34	338.02	3.87	-127.47
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000338343	0	47	-2.0	-128.25	389.13	7.22	-121.03
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C(C(=O)[O-])=C1	REAL300000338344	0	47	-2.0	-125.70	386.12	7.43	-118.27
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C(C(=O)[O-])=C1	REAL300000338345	0	50	-2.0	-126.87	408.43	8.17	-118.70
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1F	REAL300000338346	1	44	-2.0	-118.93	385.10	7.10	-111.83
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C(C(=O)[O-])=C1	REAL300000338347	0	47	-2.0	-133.93	383.61	7.57	-126.36
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1F	REAL300000338348	0	44	-2.0	-126.77	380.43	6.99	-119.78
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338349	0	43	-2.0	-126.92	363.96	8.22	-118.70
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C)C=C3C(=O)[O-])=C2O1	REAL300000338350	0	48	-2.0	-143.49	396.65	8.14	-135.35
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])S1	REAL300000338351	0	48	-2.0	-127.74	407.90	7.22	-120.52
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C(C(=O)[O-])=C1	REAL300000338352	1	48	-2.0	-130.72	407.44	9.77	-120.95
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338353	0	44	-2.0	-134.17	375.68	8.22	-125.95
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C(C(=O)[O-])=C1	REAL300000338354	0	37	-2.0	-125.85	344.65	6.99	-118.86
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338355	0	45	-2.0	-146.23	379.91	7.16	-139.07
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338356	0	42	-2.0	-118.10	355.42	4.85	-113.25
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C(C(=O)[O-])=C1	REAL300000338358	1	41	-2.0	-117.59	354.11	6.34	-111.25
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C(C(=O)[O-])=C1	REAL300000338359	0	43	-2.0	-133.76	378.06	8.98	-124.78
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338360	0	47	-2.0	-124.44	391.17	7.28	-117.16
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1OC	REAL300000338362	0	48	-2.0	-130.16	391.02	7.30	-122.86
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000338363	0	43	-2.0	-134.20	369.00	7.83	-126.37
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000338364	0	47	-2.0	-130.60	394.53	7.48	-123.12
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000338366	0	43	-2.0	-139.21	368.66	6.75	-132.46
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C)C=C3C(=O)[O-])C=CC=C21	REAL300000338367	0	45	-2.0	-150.76	383.77	5.95	-144.81
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C)C=C3C(=O)[O-])=C21	REAL300000338368	0	47	-2.0	-130.45	379.89	9.52	-120.93
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=CN=C1N	REAL300000338369	1	44	-2.0	-129.91	367.24	5.25	-124.66
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338370	0	40	-2.0	-127.12	356.52	3.42	-123.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])N=CN1	REAL300000338371	0	40	-2.0	-137.87	338.34	5.65	-132.22
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C(C(=O)[O-])=C1	REAL300000338373	1	43	-2.0	-127.72	372.94	7.93	-119.79
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(C2CCC2)=N1	REAL300000338374	0	50	-2.0	-132.53	410.75	7.96	-124.57
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C(C(=O)[O-])=C1	REAL300000338375	0	37	-2.0	-125.29	345.06	7.09	-118.20
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000338376	0	50	-2.0	-128.94	413.22	8.20	-120.74
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C(C(=O)[O-])=C1	REAL300000338377	0	44	-2.0	-134.83	377.35	8.67	-126.16
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338378	1	49	-2.0	-133.52	403.63	9.76	-123.76
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338379	0	46	-2.0	-120.83	394.51	5.95	-114.88
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000338380	0	41	-2.0	-130.87	363.70	7.91	-122.96
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338381	0	47	-2.0	-129.24	384.91	7.08	-122.16
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000338384	0	49	-2.0	-121.85	386.21	7.46	-114.39
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000338385	0	49	-2.0	-128.74	403.74	7.27	-121.47
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000338386	0	47	-2.0	-128.71	387.74	6.66	-122.05
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000338387	0	51	-2.0	-128.15	413.50	8.37	-119.78
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C(C(=O)[O-])=C1	REAL300000338388	1	43	-2.0	-129.19	367.21	8.37	-120.82
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338389	0	43	-2.0	-122.88	360.39	5.82	-117.06
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1C	REAL300000338391	1	46	-2.0	-131.38	371.72	8.86	-122.52
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000338392	0	43	-2.0	-137.28	358.87	8.82	-128.46
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C(C(=O)[O-])=C1	REAL300000338394	0	41	-2.0	-127.93	371.87	8.40	-119.53
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C(C(=O)[O-])=C1	REAL300000338395	1	47	-2.0	-133.08	388.46	9.66	-123.42
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=CS1	REAL300000338396	0	41	-2.0	-133.51	361.49	5.99	-127.52
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C(C(=O)[O-])=C1	REAL300000338397	0	47	-2.0	-135.76	393.93	9.72	-126.04
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C(C(=O)[O-])=C1	REAL300000338398	0	50	-2.0	-126.61	404.04	8.15	-118.46
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338399	0	49	-2.0	-125.82	399.18	7.44	-118.38
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C)C=C3C(=O)[O-])C2=N1	REAL300000338401	0	45	-2.0	-141.73	382.83	5.91	-135.82
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])O1	REAL300000338402	0	43	-2.0	-130.49	365.31	7.15	-123.34
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C(C(=O)[O-])=C1	REAL300000338403	0	40	-2.0	-121.81	363.08	6.77	-115.04
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338404	0	44	-2.0	-123.69	380.18	7.47	-116.22
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000338405	1	46	-2.0	-128.03	392.46	9.07	-118.96
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C(C(=O)[O-])=C1	REAL300000338406	1	44	-2.0	-130.07	378.49	7.13	-122.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])S1	REAL300000338407	0	41	-2.0	-126.45	363.01	6.00	-120.45
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C(C(=O)[O-])=C1	REAL300000338408	0	43	-2.0	-123.73	371.89	6.25	-117.48
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338409	1	50	-2.0	-132.86	416.15	8.24	-124.62
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C(C(=O)[O-])=C1	REAL300000338410	1	43	-2.0	-129.97	359.79	8.52	-121.45
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C(C(=O)[O-])=C1	REAL300000338411	0	43	-2.0	-137.19	366.23	7.90	-129.29
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C(C(=O)[O-])=C1	REAL300000338412	1	42	-2.0	-132.42	370.18	6.94	-125.48
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=N1	REAL300000338413	0	42	-2.0	-127.52	359.94	4.43	-123.09
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1Cl	REAL300000338414	0	43	-2.0	-122.96	380.89	6.48	-116.48
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C(C(=O)[O-])=C1	REAL300000338415	0	37	-2.0	-123.14	338.98	6.16	-116.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000338416	1	49	-2.0	-141.94	397.99	10.39	-131.55
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000338419	0	44	-2.0	-131.10	383.04	8.87	-122.23
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338420	0	40	-2.0	-129.42	343.81	6.22	-123.20
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1OC	REAL300000338421	0	45	-2.0	-127.97	392.18	5.56	-122.41
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000338422	0	39	-2.0	-113.43	356.85	6.18	-107.25
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338423	0	46	-2.0	-129.38	382.63	7.56	-121.82
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C)C=C3C(=O)[O-])=CC=C21	REAL300000338424	1	47	-2.0	-139.25	392.94	9.31	-129.94
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1Cl	REAL300000338425	0	40	-2.0	-122.37	359.08	5.61	-116.76
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C(C(=O)[O-])=C1	REAL300000338426	0	46	-2.0	-140.64	375.72	9.35	-131.29
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C(C(=O)[O-])=C1	REAL300000338427	0	38	-2.0	-126.33	343.38	6.01	-120.32
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338428	0	42	-2.0	-117.87	366.97	6.94	-110.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000338429	0	50	-2.0	-131.06	416.03	8.35	-122.71
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(C(=O)[O-])=C1	REAL300000338432	0	37	-2.0	-124.74	337.97	6.05	-118.69
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C(C(=O)[O-])=C1	REAL300000338433	0	37	-2.0	-122.72	348.04	7.06	-115.66
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338434	0	48	-2.0	-126.42	391.50	5.30	-121.12
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C(C(=O)[O-])=C1	REAL300000338435	1	47	-2.0	-133.21	382.78	9.72	-123.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C(C)=N1	REAL300000338437	1	46	-2.0	-122.37	382.07	4.99	-117.38
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338438	0	46	-2.0	-135.27	386.64	5.37	-129.90
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338439	0	43	-2.0	-127.47	381.94	5.22	-122.25
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C1C	REAL300000338440	1	46	-2.0	-124.43	386.54	4.95	-119.48
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=N1	REAL300000338441	0	49	-2.0	-126.60	402.19	7.69	-118.91
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338442	0	49	-2.0	-128.91	402.83	7.29	-121.62
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C(C(=O)[O-])=C1	REAL300000338443	0	38	-2.0	-129.27	342.19	5.95	-123.32
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C(C(=O)[O-])=C1	REAL300000338444	0	38	-2.0	-124.60	351.28	6.89	-117.71
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C=C1C(=O)[O-]	REAL300000338445	0	46	-2.0	-124.35	380.95	6.82	-117.53
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C(C(=O)[O-])=C1	REAL300000338446	0	47	-2.0	-123.53	391.42	7.68	-115.85
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000338447	0	47	-2.0	-131.64	392.94	8.70	-122.94
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=NN1C(C)C	REAL300000338449	0	49	-2.0	-127.23	403.71	7.30	-119.93
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000338450	0	42	-2.0	-125.43	366.57	6.57	-118.86
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C(C(=O)[O-])=C1	REAL300000338452	1	41	-2.0	-131.68	350.25	4.70	-126.98
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C(C(=O)[O-])=C1	REAL300000338453	0	36	-2.0	-118.81	324.88	5.16	-113.65
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000338454	0	44	-2.0	-144.32	387.28	6.80	-137.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C2=NC=CC=C12	REAL300000338455	0	48	-2.0	-149.69	396.95	8.71	-140.98
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000338456	0	45	-3.0	-192.76	385.99	7.99	-184.77
CCC1=C(S(=O)(=O)NC2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000338456	1	46	-2.0	-98.54	386.16	7.64	-90.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])C=C(Cl)S1	REAL300000338457	0	40	-2.0	-120.22	365.77	7.94	-112.28
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C(C(=O)[O-])=C1	REAL300000338458	0	36	-2.0	-124.03	325.81	4.67	-119.36
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000338459	0	47	-2.0	-129.33	384.95	6.87	-122.46
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C=C2C(=O)[O-])=C1	REAL300000338460	0	43	-2.0	-136.84	366.12	8.28	-128.56
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000338461	1	42	-2.0	-123.11	379.76	4.73	-118.38
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000338462	1	42	-2.0	-111.69	375.22	4.70	-106.99
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000338463	1	42	-2.0	-123.63	375.22	4.69	-118.94
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000338464	1	45	-2.0	-127.51	390.41	5.25	-122.26
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000338465	0	42	-2.0	-120.63	380.69	4.76	-115.87
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000338466	0	39	-2.0	-117.97	368.40	3.72	-114.25
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000338467	1	45	-2.0	-122.83	390.65	5.48	-117.35
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000338468	0	43	-2.0	-122.19	381.86	4.06	-118.13
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000338469	0	42	-2.0	-115.38	384.33	4.37	-111.01
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000338470	0	39	-2.0	-107.66	366.54	3.73	-103.93
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000338471	0	42	-2.0	-116.26	378.25	3.83	-112.43
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000338472	0	42	-2.0	-119.28	384.91	4.59	-114.69
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000338473	1	42	-2.0	-110.76	379.74	4.73	-106.03
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000338474	0	39	-2.0	-113.89	367.48	3.81	-110.08
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000338475	1	42	-2.0	-114.45	381.63	4.75	-109.70
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000338476	0	42	-2.0	-111.81	380.68	4.77	-107.04
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000338477	0	43	-2.0	-121.27	384.92	2.41	-118.86
COC(C)C(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000338477	1	43	-2.0	-107.86	373.96	3.30	-104.56
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000338478	1	45	-2.0	-114.56	397.40	5.47	-109.09
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000338479	1	45	-2.0	-123.17	384.10	5.34	-117.83
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)OC)=C2)C=C1C(=O)[O-]	REAL300000338481	0	46	-2.0	-125.47	403.35	4.91	-120.56
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000338482	1	45	-2.0	-112.02	390.40	5.26	-106.76
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000338483	0	42	-2.0	-132.13	378.88	4.73	-127.40
COC(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000338484	0	41	-2.0	-120.16	372.20	2.75	-117.41
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(C)OC)=C2)C=C(C(=O)[O-])O1	REAL300000338485	0	45	-2.0	-107.36	397.35	4.69	-102.67
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000338486	1	44	-2.0	-113.70	379.51	8.71	-104.99
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300000338487	1	44	-2.0	-102.89	380.61	9.00	-93.89
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000338488	1	44	-2.0	-116.63	374.97	8.68	-107.95
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C21	REAL300000338489	1	48	-2.0	-102.42	406.42	9.98	-92.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3CC(C)C)C=C1C(=O)[O-]	REAL300000338490	1	47	-2.0	-117.16	396.65	9.53	-107.63
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C21	REAL300000338491	0	44	-2.0	-113.22	386.10	9.05	-104.17
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000338492	0	41	-2.0	-110.50	368.16	7.70	-102.80
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=CN2CC(C)C	REAL300000338493	1	47	-2.0	-116.98	390.40	9.47	-107.51
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000338494	0	45	-2.0	-114.92	381.61	8.03	-106.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3CC(C)C)=C1	REAL300000338495	0	44	-2.0	-106.33	384.09	8.37	-97.96
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000338496	0	41	-2.0	-112.02	366.62	7.72	-104.30
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3CC(C)C)C=C(C(=O)[O-])O1	REAL300000338497	0	44	-2.0	-109.63	377.98	7.82	-101.81
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3CC(C)C)C=C(C(=O)[O-])S1	REAL300000338498	0	44	-2.0	-113.17	383.58	8.58	-104.59
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000338499	1	44	-2.0	-102.21	385.14	9.03	-93.18
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000338500	0	41	-2.0	-105.10	367.24	7.81	-97.29
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000338501	1	44	-2.0	-106.70	387.03	9.06	-97.64
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300000338502	0	44	-2.0	-102.50	386.09	9.06	-93.44
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C21	REAL300000338503	0	45	-2.0	-115.34	390.34	6.70	-108.64
CC(C)CN1C=CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C21	REAL300000338503	1	45	-2.0	-113.15	389.55	7.50	-105.65
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C21	REAL300000338504	1	47	-2.0	-106.78	397.14	9.47	-97.31
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=CN2CC(C)C	REAL300000338505	1	47	-2.0	-112.34	390.69	9.63	-102.71
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3CC(C)C)C=C1C(=O)[O-]	REAL300000338507	0	48	-2.0	-115.81	408.65	9.20	-106.61
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3CC(C)C)=CC=C1C(=O)[O-]	REAL300000338508	1	47	-2.0	-103.53	390.94	9.23	-94.30
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000338509	0	44	-2.0	-120.56	384.24	9.02	-111.54
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000338510	0	43	-2.0	-114.38	371.18	6.81	-107.57
CC(C)CN1C=CC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C21	REAL300000338511	0	41	-2.0	-103.42	375.13	7.67	-95.75
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3CC(C)C)C=C(C(=O)[O-])O1	REAL300000338512	0	47	-2.0	-108.90	402.76	8.98	-99.92
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000338513	1	38	-2.0	-110.50	347.40	6.66	-103.84
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000338514	1	38	-2.0	-101.10	342.84	6.63	-94.47
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000338515	1	38	-2.0	-112.47	344.32	6.65	-105.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=CC=C2C)=C1	REAL300000338516	0	42	-2.0	-118.29	370.99	6.42	-111.87
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000338517	1	42	-2.0	-100.20	374.31	7.92	-92.28
CC1=CC=NN1C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1	REAL300000338518	1	41	-2.0	-114.28	358.87	7.16	-107.12
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000338519	0	38	-2.0	-108.54	355.87	7.20	-101.34
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CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000338524	0	35	-2.0	-108.14	336.03	5.64	-102.50
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CC1=CC=NN1C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1	REAL300000338536	0	38	-2.0	-106.90	345.85	5.76	-101.14
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CC1=CC=NN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1	REAL300000338538	1	41	-2.0	-104.32	363.56	7.44	-96.88
CC1=CC=NN1C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1	REAL300000338539	0	38	-2.0	-110.02	352.54	6.51	-103.51
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CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000338541	1	38	-2.0	-100.58	347.37	6.66	-93.92
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000338542	0	35	-2.0	-102.27	336.59	5.78	-96.49
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000338543	1	38	-2.0	-104.77	349.26	6.69	-98.08
CC1=CC=NN1C1=CC([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)=CC=C1	REAL300000338544	0	41	-2.0	-111.69	368.61	7.33	-104.36
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000338545	0	38	-2.0	-100.52	348.32	6.70	-93.82
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000338546	1	38	-2.0	-98.69	355.34	7.03	-91.66
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000338547	1	38	-2.0	-102.14	353.67	6.72	-95.42
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000338548	0	39	-2.0	-111.92	352.54	4.34	-107.58
CC1=CC=NN1C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000338548	1	39	-2.0	-113.28	351.78	5.13	-108.15
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000338549	1	41	-2.0	-103.75	365.04	7.41	-96.34
CC1=CC=NN1C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1	REAL300000338550	1	41	-2.0	-110.33	352.92	7.26	-103.07
CC1=CC=NN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)=CC=C1	REAL300000338551	1	41	-2.0	-112.79	367.69	7.28	-105.51
CC1=CC=NN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=CC=C1	REAL300000338553	1	44	-2.0	-117.75	379.65	7.79	-109.96
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000338554	0	38	-2.0	-102.06	354.61	6.75	-95.31
CC1=CC=NN1C1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=CC=C1	REAL300000338556	0	41	-2.0	-112.58	368.16	7.32	-105.26
CC1=CC=NN1C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1	REAL300000338557	0	41	-2.0	-119.22	367.89	7.32	-111.90
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=CC=C3C)=C2)C=C1C(=O)[O-]	REAL300000338558	1	44	-2.0	-115.01	377.10	7.81	-107.20
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=CC=C3C)=C2)C=C1C(=O)[O-]	REAL300000338559	0	42	-2.0	-113.68	370.88	6.85	-106.83
CC1=CC=NN1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1	REAL300000338560	1	41	-2.0	-101.14	358.86	7.17	-93.97
CC1=CC=NN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC=C1	REAL300000338561	1	41	-2.0	-111.25	362.38	7.46	-103.79
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000338562	0	38	-2.0	-118.41	346.50	6.66	-111.75
CC1=CC=NN1C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1	REAL300000338563	1	41	-2.0	-105.99	367.79	7.30	-98.69
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000338564	0	37	-2.0	-109.52	339.84	4.68	-104.84
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=CC=C2C)=C1	REAL300000338565	0	42	-2.0	-105.22	371.05	6.42	-98.80
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000338566	0	35	-2.0	-100.98	342.99	5.60	-95.38
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000338567	1	45	-2.0	-107.30	388.99	8.51	-98.79
CC1=CC=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000338568	1	45	-2.0	-112.75	388.29	8.50	-104.25
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=CC=C3C)=C2)C=C(C(=O)[O-])O1	REAL300000338569	0	41	-2.0	-106.47	364.97	6.61	-99.86
CCN(C1=CC=C(OC)C(OC)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000338602	0	43	-2.0	-108.73	372.99	5.14	-103.59
CCN(C1=CC=CC(OC)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000338648	0	41	-2.0	-110.33	356.64	6.81	-103.52
CCN(C1=CC=CC(OC)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000338673	0	39	-2.0	-110.21	343.68	5.24	-104.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CO4)=NC3=C2)C=C1	REAL300000338707	1	38	-2.0	-100.46	354.17	5.56	-94.90
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CO4)=NC3=C2)=C1	REAL300000338708	1	38	-2.0	-112.77	354.19	5.55	-107.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CO4)=NC3=C2)C=C1C(=O)[O-]	REAL300000338709	1	41	-2.0	-113.90	370.20	6.09	-107.81
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CO4)=NC3=C2)=C1	REAL300000338710	0	35	-2.0	-107.08	347.37	4.58	-102.50
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CO4)NC3=C2)=C1	REAL300000338710	1	35	-2.0	-103.45	347.27	4.57	-98.88
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(C3=CC=CO3)=NC2=C1	REAL300000338711	1	41	-2.0	-112.64	369.62	6.34	-106.30
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CO4)=NC3=C2)C=C1C(=O)[O-]	REAL300000338712	0	39	-2.0	-111.34	360.82	4.91	-106.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CO4)=NC3=C2)=CS1	REAL300000338713	0	35	-2.0	-108.58	345.83	4.58	-104.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CO4)NC3=C2)=CS1	REAL300000338713	1	35	-2.0	-104.92	345.74	4.59	-100.33
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CO4)=NC3=C2)C=C(C(=O)[O-])O1	REAL300000338714	0	38	-2.0	-106.18	357.19	4.70	-101.48
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CO4)NC3=C2)C=C(C(=O)[O-])O1	REAL300000338714	1	38	-2.0	-103.24	357.10	4.69	-98.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CO4)=NC3=C2)S1	REAL300000338715	0	35	-2.0	-102.13	346.45	4.68	-97.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CO4)NC3=C2)S1	REAL300000338715	1	35	-2.0	-98.56	346.36	4.68	-93.88
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CO4)=NC3=C2)=C1	REAL300000338716	0	39	-2.0	-111.27	363.90	3.27	-108.00
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CO4)=NC3=C2)C=C1	REAL300000338717	1	41	-2.0	-103.17	376.35	6.34	-96.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(C3=CC=CO3)=NC2=C1	REAL300000338718	1	41	-2.0	-109.83	364.25	6.19	-103.64
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(C3=CC=CO3)=NC2=C1	REAL300000338719	1	41	-2.0	-100.48	369.59	6.32	-94.16
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CO4)=NC3=C2)=CC=C1C(=O)[O-]	REAL300000338720	1	41	-2.0	-100.55	370.19	6.10	-94.45
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CO4)=NC3=C2)=C1	REAL300000338721	0	37	-2.0	-108.78	351.17	3.62	-105.16
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CO4)NC3=C2)=C1	REAL300000338721	1	37	-2.0	-106.54	350.31	3.68	-102.86
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000338722	1	37	-2.0	-106.70	345.32	1.25	-105.45
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000338724	1	37	-2.0	-109.14	340.81	1.22	-107.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CNC(N)=O)C=C1	REAL300000338725	0	41	-2.0	-114.61	368.93	1.02	-113.59
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000338726	1	41	-2.0	-96.06	372.24	2.52	-93.54
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000338728	0	37	-2.0	-104.74	353.86	1.80	-102.94
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000338729	1	37	-2.0	-104.93	353.30	1.61	-103.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)=C1C	REAL300000338730	1	43	-2.0	-112.29	373.19	2.54	-109.75
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000338731	0	37	-2.0	-106.28	346.27	1.29	-104.99
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000338732	1	43	-2.0	-95.40	384.35	2.81	-92.59
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000338733	0	34	-2.0	-103.40	333.97	0.24	-103.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CNC(N)=O)C=C1	REAL300000338734	1	40	-2.0	-110.44	356.22	2.01	-108.43
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000338736	1	38	-2.0	-107.45	347.44	0.57	-106.88
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)=C1	REAL300000338738	0	37	-2.0	-99.07	349.90	0.90	-98.17
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000338740	0	34	-2.0	-104.86	332.44	0.26	-104.60
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CNC(N)=O)C=C1	REAL300000338742	1	46	-2.0	-112.52	394.69	3.23	-109.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CNC(N)=O)C=C1	REAL300000338743	1	43	-2.0	-108.83	370.93	2.94	-105.89
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CNC(N)=O)C=C1	REAL300000338744	0	44	-2.0	-114.72	391.22	1.79	-112.93
NC(=O)NCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000338745	0	40	-2.0	-107.11	371.89	1.74	-105.37
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000338745	1	39	-3.0	-183.08	369.20	1.79	-181.29
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000338746	1	44	-2.0	-113.41	385.04	3.12	-110.29
CC1=C(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000338747	0	37	-2.0	-103.22	343.83	0.36	-102.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)=C1	REAL300000338748	0	41	-2.0	-109.13	369.76	0.32	-108.81
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CNC(N)=O)C=C1	REAL300000338750	1	40	-2.0	-100.86	361.50	2.04	-98.82
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000338751	1	41	-2.0	-94.44	378.08	1.56	-92.88
CC1=C(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)C=C(C(=O)[O-])S1	REAL300000338753	1	37	-2.0	-106.79	349.39	1.12	-105.67
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000338754	0	37	-2.0	-93.93	353.84	1.79	-92.14
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000338755	1	37	-2.0	-95.96	345.33	1.27	-94.69
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000338756	0	34	-2.0	-97.94	333.05	0.35	-97.59
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000338757	1	37	-2.0	-99.93	347.20	1.29	-98.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)=C1F	REAL300000338758	0	40	-2.0	-107.65	366.55	1.93	-105.72
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000338759	0	37	-2.0	-95.59	346.25	1.30	-94.29
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000338760	1	37	-2.0	-93.97	353.29	1.63	-92.34
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CNC(N)=O)C=C1	REAL300000338761	1	40	-2.0	-102.59	370.23	2.42	-100.17
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000338762	1	37	-2.0	-97.49	351.62	1.32	-96.17
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000338763	1	39	-2.0	-93.42	368.98	1.90	-91.52
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000338764	0	38	-2.0	-109.19	350.51	-1.07	-110.26
NC(=O)NCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000338764	1	38	-2.0	-109.47	349.69	-0.28	-109.75
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000338765	1	40	-2.0	-100.00	362.96	2.00	-98.00
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CNC(N)=O)C=C1	REAL300000338766	1	40	-2.0	-105.38	354.61	1.97	-103.41
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)=CC(C(=O)[O-])=C1F	REAL300000338767	1	40	-2.0	-107.03	365.63	1.88	-105.15
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000338770	0	39	-2.0	-106.54	367.37	2.31	-104.23
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000338771	0	37	-2.0	-97.81	352.55	1.35	-96.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000338773	0	40	-2.0	-107.30	362.26	1.83	-105.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)=C1Cl	REAL300000338774	0	40	-2.0	-106.47	372.55	2.36	-104.11
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)=C1	REAL300000338775	0	40	-2.0	-112.64	365.80	1.92	-110.72
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(CNC(N)=O)C=C1	REAL300000338778	1	40	-2.0	-97.58	367.58	2.37	-95.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000338779	1	40	-2.0	-105.74	372.01	2.18	-103.56
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000338780	1	41	-2.0	-108.74	368.81	1.45	-107.29
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000338781	1	40	-2.0	-102.72	374.57	2.29	-100.43
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000338784	0	39	-2.0	-114.77	364.54	3.09	-111.68
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000338785	0	37	-2.0	-111.88	344.45	1.25	-110.63
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000338786	1	40	-2.0	-100.95	365.75	1.89	-99.06
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000338787	1	43	-2.0	-117.33	381.83	3.36	-113.97
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000338788	0	36	-2.0	-106.59	337.00	-0.66	-107.25
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CNC(N)=O)C=C1	REAL300000338789	0	41	-2.0	-100.64	368.99	1.02	-99.62
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000338790	0	34	-2.0	-96.92	340.94	0.20	-96.72
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000338791	1	44	-2.0	-102.30	384.77	3.04	-99.26
NC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000338792	1	44	-2.0	-105.35	386.23	3.11	-102.24
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CNC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000338793	0	40	-2.0	-103.26	362.91	1.21	-102.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CC(C(F)(F)F)=C1	REAL300000338796	0	31	-2.0	-124.68	312.88	6.27	-118.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CC(C(F)(F)F)=C1	REAL300000338797	0	30	-2.0	-105.62	316.24	4.63	-100.99
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338798	1	32	-2.0	-112.92	325.21	6.39	-106.53
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000338799	1	32	-2.0	-108.42	325.54	6.40	-102.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=CC(C(F)(F)F)=C1	REAL300000338800	0	31	-2.0	-112.26	326.60	6.58	-105.68
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338801	0	32	-2.0	-123.64	322.82	6.28	-117.36
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338802	0	34	-2.0	-110.11	320.94	3.83	-106.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=CC(C(F)(F)F)=C1	REAL300000338803	1	41	-2.0	-118.49	367.10	8.48	-110.01
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000338804	0	34	-2.0	-105.52	339.27	6.44	-99.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000338804	1	33	-3.0	-168.50	333.17	6.57	-161.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=CC(C(F)(F)F)=C1	REAL300000338805	1	38	-2.0	-118.62	349.93	7.90	-110.72
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338806	0	33	-2.0	-104.60	319.64	4.93	-99.67
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(C(F)(F)F)=CC(C(=O)[O-])=C2)=CC=C1	REAL300000338807	0	34	-2.0	-97.02	335.64	6.58	-90.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC(C(=O)[O-])=C2)=CC=C1	REAL300000338807	1	33	-3.0	-184.34	332.84	6.55	-177.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=CC(C(F)(F)F)=C1	REAL300000338808	1	31	-2.0	-105.62	317.07	6.11	-99.51
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338809	1	34	-2.0	-117.70	325.78	6.65	-111.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CC(C(F)(F)F)=C1	REAL300000338811	1	31	-2.0	-112.94	321.10	6.51	-106.43
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000338812	1	36	-2.0	-114.65	345.19	6.40	-108.25
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338813	1	37	-2.0	-118.29	341.62	7.44	-110.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1C	REAL300000338814	1	37	-2.0	-118.52	342.79	7.19	-111.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=CC(C(F)(F)F)=C1	REAL300000338815	1	31	-2.0	-105.95	326.96	6.56	-99.39
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338816	1	36	-2.0	-127.15	347.14	6.48	-120.67
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000338818	1	40	-2.0	-116.14	364.95	7.94	-108.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CC(C(F)(F)F)=C1	REAL300000338819	0	28	-2.0	-108.27	313.35	5.62	-102.65
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000338820	1	40	-2.0	-116.26	369.12	8.23	-108.03
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338821	0	35	-2.0	-124.32	332.98	5.80	-118.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=CC(C(F)(F)F)=C1	REAL300000338822	0	31	-2.0	-109.02	322.43	6.19	-102.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=CC(C(F)(F)F)=C1	REAL300000338823	0	31	-2.0	-117.67	317.85	6.57	-111.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000338824	0	33	-2.0	-113.04	332.59	6.66	-106.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC(C(F)(F)F)=C1	REAL300000338825	0	28	-2.0	-114.54	296.30	5.00	-109.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338827	0	33	-2.0	-127.72	325.81	7.42	-120.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000338828	1	34	-2.0	-117.02	326.14	6.68	-110.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=CC(C(F)(F)F)=C1	REAL300000338830	0	31	-2.0	-111.46	316.28	6.13	-105.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC(C(F)(F)F)=C1	REAL300000338831	1	31	-2.0	-113.08	310.78	6.06	-107.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=CC(C(F)(F)F)=C1	REAL300000338832	0	31	-2.0	-106.40	317.19	6.12	-100.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=CC(C(F)(F)F)=C1	REAL300000338834	1	31	-2.0	-109.61	321.46	6.52	-103.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC(C(F)(F)F)=C1	REAL300000338835	0	33	-2.0	-103.60	332.94	6.68	-96.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=CC(C(F)(F)F)=C1	REAL300000338836	1	31	-2.0	-117.00	304.37	5.99	-111.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)S1	REAL300000338837	0	31	-2.0	-115.50	318.18	5.80	-109.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=CC(C(F)(F)F)=C1	REAL300000338838	0	31	-2.0	-115.77	316.28	6.13	-109.64
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000338839	1	35	-2.0	-114.10	344.92	7.03	-107.07
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC(C(=O)[O-])=C2)=C1	REAL300000338840	0	30	-3.0	-176.58	326.02	5.57	-171.01
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338842	0	37	-2.0	-113.73	341.42	5.05	-108.68
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000338843	1	35	-2.0	-115.06	339.23	2.79	-112.27
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000338844	1	37	-2.0	-116.48	347.62	7.45	-109.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC(C(F)(F)F)=C1	REAL300000338845	1	37	-2.0	-119.41	350.33	8.28	-111.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=CC(C(F)(F)F)=C1	REAL300000338846	1	31	-2.0	-108.85	311.13	6.07	-102.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC(C(F)(F)F)=C1	REAL300000338847	0	31	-2.0	-120.87	310.22	6.07	-114.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(Cl)=C1	REAL300000338848	0	34	-2.0	-117.31	339.26	7.23	-110.08
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338849	1	34	-2.0	-109.26	326.61	6.83	-102.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=CC(C(F)(F)F)=C1	REAL300000338850	0	31	-2.0	-108.77	323.90	6.63	-102.14
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000338851	0	34	-3.0	-181.46	339.48	5.91	-175.55
CN1C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000338851	1	35	-2.0	-97.58	342.30	5.90	-91.68
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1Cl	REAL300000338852	0	31	-2.0	-122.46	321.84	5.56	-116.90
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1C(N)=O	REAL300000338853	0	36	-2.0	-113.51	346.38	2.15	-111.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1F	REAL300000338854	1	35	-2.0	-111.89	340.08	5.36	-106.53
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=N1	REAL300000338856	0	31	-2.0	-112.21	308.92	3.71	-108.50
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338858	1	34	-2.0	-113.87	336.93	7.30	-106.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1Cl	REAL300000338859	1	34	-2.0	-113.54	339.83	7.10	-106.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=CC(C(F)(F)F)=C1	REAL300000338860	0	31	-2.0	-116.77	326.39	6.57	-110.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1F	REAL300000338861	1	34	-2.0	-113.32	331.09	6.70	-106.62
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338862	1	34	-2.0	-110.11	336.93	7.27	-102.84
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338863	0	34	-2.0	-121.23	331.63	6.73	-114.50
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338864	1	34	-2.0	-114.15	326.60	6.85	-107.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC(C(=O)[O-])=C2)=CS1	REAL300000338865	0	30	-3.0	-178.72	324.49	5.60	-173.12
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(C(F)(F)F)=CC(C(=O)[O-])=C2)=CS1	REAL300000338865	1	31	-2.0	-120.70	327.33	5.61	-115.09
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338867	0	35	-2.0	-120.62	335.91	4.37	-116.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2)=CC(C(F)(F)F)=C1	REAL300000338868	0	28	-2.0	-109.33	285.95	2.39	-106.94
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=CC(C(F)(F)F)=C1	REAL300000338869	0	31	-2.0	-113.57	319.63	6.35	-107.22
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000338870	0	33	-3.0	-176.37	335.84	5.70	-170.67
CC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000338870	1	34	-2.0	-117.40	338.50	5.65	-111.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=CC(C(F)(F)F)=C1	REAL300000338871	0	34	-2.0	-137.55	332.91	5.20	-132.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC(C(F)(F)F)=C1	REAL300000338872	0	30	-2.0	-106.09	305.78	4.27	-101.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=CC(C(F)(F)F)=C1	REAL300000338873	1	36	-2.0	-117.90	340.54	6.43	-111.47
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338874	0	31	-2.0	-123.17	308.55	5.08	-118.09
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=N1	REAL300000338875	0	31	-2.0	-104.12	320.32	4.52	-99.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=CC(C(F)(F)F)=C1	REAL300000338876	0	31	-2.0	-117.57	316.50	6.13	-111.44
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=CN1C	REAL300000338877	0	34	-2.0	-125.16	327.90	4.89	-120.27
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=N1	REAL300000338878	0	34	-2.0	-112.39	330.46	4.56	-107.83
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338879	1	38	-2.0	-118.96	359.44	5.71	-113.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=CC(C(F)(F)F)=C1	REAL300000338880	1	36	-2.0	-114.65	340.36	5.29	-109.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=CC(C(F)(F)F)=C1	REAL300000338881	0	31	-2.0	-112.87	323.90	6.63	-106.24
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338883	0	31	-2.0	-110.13	305.13	3.04	-107.09
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338884	1	35	-2.0	-118.49	333.88	5.29	-113.20
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338885	1	34	-2.0	-117.82	319.79	6.79	-111.03
CN1C=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=N1	REAL300000338887	0	31	-2.0	-121.36	309.21	3.53	-117.83
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338888	0	31	-2.0	-106.57	304.61	3.63	-102.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(F)=C1	REAL300000338894	0	34	-2.0	-120.36	331.63	6.74	-113.62
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=CC=C1F	REAL300000338895	1	34	-2.0	-109.40	331.09	6.69	-102.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC=N2)=CC(C(F)(F)F)=C1	REAL300000338896	0	28	-2.0	-121.16	285.84	3.37	-117.79
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)O1	REAL300000338897	0	34	-2.0	-108.40	343.92	4.79	-103.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=CC(C(F)(F)F)=C1	REAL300000338898	0	36	-2.0	-133.35	344.29	6.63	-126.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=CC(C(F)(F)F)=C1	REAL300000338899	0	31	-2.0	-106.76	322.89	6.20	-100.56
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=CN=C1Cl	REAL300000338900	0	33	-2.0	-106.44	335.02	5.21	-101.23
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)SC=C1	REAL300000338902	0	31	-2.0	-117.59	315.11	5.63	-111.96
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1C	REAL300000338903	0	40	-2.0	-113.87	364.15	5.95	-107.92
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338906	1	35	-2.0	-113.85	340.98	7.17	-106.68
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338907	1	35	-2.0	-108.82	340.96	7.16	-101.66
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(F)=C1	REAL300000338909	0	32	-2.0	-111.01	330.67	6.45	-104.56
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=N1	REAL300000338910	0	37	-2.0	-112.45	349.13	5.08	-107.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=CC(C(F)(F)F)=C1	REAL300000338912	1	36	-2.0	-116.40	345.34	6.38	-110.02
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=CN1	REAL300000338913	0	37	-2.0	-121.34	348.34	4.43	-116.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=CC(C(F)(F)F)=C1	REAL300000338916	1	31	-2.0	-99.89	323.72	6.19	-93.70
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=CC(C)=C1F	REAL300000338918	1	37	-2.0	-110.14	351.76	7.35	-102.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC(C(=O)[O-])=C2)S1	REAL300000338919	0	30	-3.0	-170.35	325.11	5.69	-164.66
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338920	0	40	-2.0	-123.48	369.08	7.24	-116.24
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=CN1	REAL300000338921	0	35	-2.0	-115.71	347.77	4.35	-111.36
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338922	1	34	-2.0	-112.66	325.10	6.83	-105.83
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)S1	REAL300000338923	0	33	-2.0	-112.79	329.92	4.56	-108.23
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000338924	1	35	-2.0	-122.73	346.97	7.18	-115.55
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338925	1	37	-2.0	-118.07	347.26	7.42	-110.65
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338926	1	34	-2.0	-113.04	332.20	6.72	-106.32
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C(F)C=C1F	REAL300000338928	0	34	-2.0	-111.67	336.93	6.77	-104.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=CC(C(F)(F)F)=C1	REAL300000338929	1	37	-2.0	-125.75	345.76	8.32	-117.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=CC(C(F)(F)F)=C1	REAL300000338930	1	41	-2.0	-121.57	359.69	8.62	-112.95
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)SC=C1	REAL300000338932	0	32	-2.0	-125.21	326.01	4.72	-120.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CC(C(F)(F)F)=C1	REAL300000338933	0	34	-2.0	-116.96	334.14	6.39	-110.57
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338934	0	31	-2.0	-103.91	319.69	4.95	-98.96
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)N=C1Cl	REAL300000338935	0	31	-2.0	-118.14	324.55	4.83	-113.31
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=CC(C(F)(F)F)=C1	REAL300000338936	0	32	-2.0	-119.53	320.55	4.74	-114.79
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338937	0	32	-2.0	-106.68	326.94	3.84	-102.84
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)S1	REAL300000338938	0	30	-2.0	-111.38	313.24	3.82	-107.56
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1F	REAL300000338940	0	34	-2.0	-115.49	336.93	6.78	-108.71
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338942	0	37	-2.0	-122.84	349.81	6.38	-116.46
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=N1	REAL300000338943	0	38	-2.0	-110.57	364.13	3.60	-106.97
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1C#N	REAL300000338945	0	35	-2.0	-124.52	341.97	6.79	-117.73
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338946	0	37	-2.0	-122.54	351.86	6.74	-115.80
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1F	REAL300000338947	0	34	-2.0	-121.96	330.53	6.72	-115.24
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=N1	REAL300000338948	0	37	-2.0	-108.45	353.40	3.61	-104.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=CC(C(F)(F)F)=C1	REAL300000338949	0	38	-2.0	-125.68	350.16	6.03	-119.65
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000338950	1	38	-2.0	-116.60	359.79	5.74	-110.86
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338951	0	36	-2.0	-121.41	343.99	2.99	-118.42
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1Cl	REAL300000338952	0	34	-2.0	-118.63	336.58	7.14	-111.49
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C(C)O1	REAL300000338954	0	34	-2.0	-114.54	327.70	5.58	-108.96
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338955	1	38	-2.0	-115.52	351.32	6.04	-109.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)O1	REAL300000338956	0	31	-2.0	-114.67	308.96	4.81	-109.86
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338957	0	34	-2.0	-116.52	336.94	6.36	-110.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=CC(C(F)(F)F)=C1	REAL300000338958	1	34	-2.0	-112.02	330.43	4.66	-107.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=CC(C(F)(F)F)=C1	REAL300000338959	1	31	-2.0	-106.77	327.51	6.58	-100.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=CC(C(F)(F)F)=C1	REAL300000338960	0	30	-2.0	-106.31	316.12	4.69	-101.62
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)N=C1C	REAL300000338961	0	37	-2.0	-125.11	349.92	5.79	-119.32
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338962	0	34	-2.0	-118.10	339.26	7.24	-110.86
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338963	0	34	-2.0	-112.92	344.26	4.74	-108.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=CC(C(F)(F)F)=C1	REAL300000338964	0	31	-2.0	-120.98	320.79	6.79	-114.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(Cl)=N1	REAL300000338965	0	33	-2.0	-114.05	334.61	5.32	-108.73
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)S1	REAL300000338966	0	33	-2.0	-111.06	334.73	4.57	-106.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CC(C(F)(F)F)=C1	REAL300000338967	0	34	-2.0	-125.39	332.65	6.32	-119.07
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338971	0	31	-2.0	-108.79	333.35	6.22	-102.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=CC(C(F)(F)F)=C1	REAL300000338972	1	34	-2.0	-122.48	338.54	6.92	-115.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=CC(C(F)(F)F)=C1	REAL300000338973	0	34	-2.0	-111.27	342.30	4.88	-106.39
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338974	0	35	-2.0	-123.89	340.80	7.07	-116.82
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338975	1	40	-2.0	-120.61	358.73	8.01	-112.60
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=CC=C1F	REAL300000338976	1	35	-2.0	-108.30	340.09	5.36	-102.94
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=CC(C(F)(F)F)=C1	REAL300000338977	0	30	-2.0	-121.72	317.41	6.40	-115.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CO2)=CC(C(F)(F)F)=C1	REAL300000338978	0	28	-2.0	-113.59	287.05	3.98	-109.61
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338979	0	30	-2.0	-100.36	298.15	2.46	-97.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000338980	0	30	-2.0	-105.90	325.54	5.76	-100.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CC(C(F)(F)F)=C1	REAL300000338981	0	35	-2.0	-118.15	332.50	5.43	-112.72
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338982	1	37	-2.0	-116.65	334.93	7.72	-108.93
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338984	0	34	-2.0	-121.77	324.32	6.97	-114.80
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338986	0	34	-2.0	-112.02	328.94	3.47	-108.55
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000338989	1	35	-2.0	-117.82	337.56	7.27	-110.55
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338990	1	35	-2.0	-122.83	346.62	7.15	-115.68
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(N)=NO1	REAL300000338992	0	32	-2.0	-104.07	311.15	3.41	-100.66
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000338993	1	38	-2.0	-119.54	349.68	6.08	-113.46
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)S1	REAL300000338995	0	29	-2.0	-106.10	317.22	5.56	-100.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=N1	REAL300000338996	0	33	-2.0	-112.77	320.98	4.82	-107.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=CC(C(F)(F)F)=C1	REAL300000338997	0	36	-2.0	-115.18	345.57	6.37	-108.81
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=CC=C1C#N	REAL300000338998	1	35	-2.0	-108.06	344.34	6.89	-101.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=CC(C(F)(F)F)=C1	REAL300000338999	0	30	-2.0	-100.23	322.11	4.67	-95.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(F)=C1	REAL300000339001	0	35	-2.0	-117.17	339.36	5.36	-111.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=CC(C(F)(F)F)=C1	REAL300000339003	1	34	-2.0	-114.25	338.90	6.94	-107.31
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)N(C)N=C1	REAL300000339005	0	34	-2.0	-107.59	321.60	4.48	-103.11
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)O1	REAL300000339006	0	29	-2.0	-106.30	308.30	4.54	-101.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2)=CC(C(F)(F)F)=C1	REAL300000339007	0	28	-2.0	-112.51	295.49	4.90	-107.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC=C2)=CC(C(F)(F)F)=C1	REAL300000339008	0	28	-2.0	-112.45	286.91	3.88	-108.57
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=N1	REAL300000339009	0	34	-2.0	-108.49	331.55	2.69	-105.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=CC(C(F)(F)F)=C1	REAL300000339010	0	31	-2.0	-115.56	326.61	6.58	-108.98
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339011	0	42	-2.0	-118.98	382.51	7.11	-111.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=CC(C(F)(F)F)=C1	REAL300000339012	0	34	-2.0	-121.06	330.98	4.63	-116.43
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000339013	1	38	-2.0	-118.66	355.72	6.21	-112.45
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339014	1	37	-2.0	-141.36	348.78	3.58	-137.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=CC(C(F)(F)F)=C1	REAL300000339015	0	28	-2.0	-116.44	312.70	5.45	-110.99
CC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000339016	0	31	-2.0	-114.54	317.94	5.66	-108.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC(C(F)(F)F)=C1	REAL300000339017	0	28	-2.0	-109.54	303.01	2.81	-106.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=CC(C(F)(F)F)=C1	REAL300000339018	0	30	-2.0	-108.10	311.27	4.11	-103.99
CC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000339019	0	30	-2.0	-107.52	312.87	4.29	-103.23
O=C([O-])C1=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=CC(C(F)(F)F)=C1	REAL300000339021	1	35	-2.0	-142.48	335.90	3.26	-139.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=CC(C(F)(F)F)=C1	REAL300000339022	1	38	-2.0	-116.18	353.94	8.11	-108.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC(C(F)(F)F)=C1	REAL300000339023	0	28	-2.0	-119.65	303.00	5.04	-114.61
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1F	REAL300000339024	1	32	-2.0	-104.96	331.08	6.43	-98.53
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339026	1	31	-2.0	-139.78	309.72	1.93	-137.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NC=CN2)=CC(C(F)(F)F)=C1	REAL300000339027	0	28	-2.0	-115.35	285.99	2.57	-112.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=CC(C(F)(F)F)=C1	REAL300000339028	0	36	-2.0	-121.16	341.71	2.91	-118.25
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)S1	REAL300000339029	0	34	-2.0	-118.72	337.34	6.44	-112.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000339030	0	32	-2.0	-103.66	327.75	4.85	-98.81
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339031	0	33	-2.0	-105.59	331.93	5.38	-100.21
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=NN1C	REAL300000339035	0	34	-2.0	-114.40	325.37	4.24	-110.16
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000339036	1	35	-2.0	-116.83	335.81	7.09	-109.74
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339037	0	34	-2.0	-113.13	328.09	4.36	-108.77
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000339038	0	31	-2.0	-105.46	320.23	4.60	-100.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=CC(C(F)(F)F)=C1	REAL300000339041	1	36	-2.0	-118.76	340.19	5.84	-112.92
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339043	0	34	-2.0	-117.69	331.84	7.50	-110.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CC(C(F)(F)F)=C1	REAL300000339044	0	36	-2.0	-126.75	340.68	5.81	-120.94
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(F)=C1	REAL300000339048	0	34	-2.0	-123.48	334.63	6.97	-116.51
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339050	0	35	-2.0	-120.54	339.38	5.86	-114.68
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339051	0	30	-2.0	-104.74	301.32	3.94	-100.80
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=CC=C1Cl	REAL300000339052	1	34	-2.0	-110.44	339.83	7.09	-103.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CC(C(F)(F)F)=C1	REAL300000339053	1	37	-2.0	-125.45	352.49	6.98	-118.47
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339054	1	36	-2.0	-128.86	345.90	1.93	-126.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC(C(F)(F)F)=C1	REAL300000339055	0	30	-2.0	-116.94	305.23	4.18	-112.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC(C(F)(F)F)=C1	REAL300000339058	0	30	-2.0	-104.74	305.79	4.15	-100.59
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=CS1	REAL300000339060	0	29	-2.0	-118.49	315.12	5.40	-113.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=CC(C(F)(F)F)=C1	REAL300000339063	1	31	-2.0	-106.28	326.96	6.56	-99.72
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(=O)NC1=O	REAL300000339068	1	34	-2.0	-116.42	332.78	2.69	-113.73
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)N1C	REAL300000339070	0	34	-2.0	-113.66	326.31	4.92	-108.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=CC(C(F)(F)F)=C1	REAL300000339072	0	34	-2.0	-111.93	344.12	5.49	-106.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=CC(C(F)(F)F)=C1	REAL300000339073	0	30	-2.0	-108.99	321.73	4.60	-104.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(F)=C1F	REAL300000339074	0	34	-2.0	-117.36	336.46	6.77	-110.59
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)OC=C1	REAL300000339075	0	34	-2.0	-126.98	340.64	5.01	-121.97
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=N1	REAL300000339076	0	33	-2.0	-127.75	331.44	4.98	-122.77
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC(C(=O)[O-])=C2)=C1	REAL300000339077	0	32	-3.0	-183.14	329.83	4.61	-178.53
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339078	0	35	-2.0	-116.45	337.14	6.14	-110.31
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000339079	1	32	-2.0	-106.26	331.61	6.46	-99.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=CC(C(F)(F)F)=C1	REAL300000339080	0	33	-2.0	-127.48	327.88	5.19	-122.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=CC(C(F)(F)F)=C1	REAL300000339080	1	33	-2.0	-112.45	327.99	5.04	-107.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=CC(C(F)(F)F)=C1	REAL300000339081	0	35	-2.0	-122.90	338.45	5.97	-116.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=CC(C(F)(F)F)=C1	REAL300000339083	0	32	-2.0	-115.89	320.90	3.76	-112.13
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=CC(C(F)(F)F)=C1	REAL300000339083	1	32	-2.0	-93.11	319.75	4.55	-88.56
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000339084	1	41	-2.0	-116.06	381.93	8.79	-107.27
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339085	0	34	-2.0	-129.14	335.38	3.65	-125.49
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339086	0	37	-2.0	-113.49	347.57	5.15	-108.34
NC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=N1	REAL300000339087	0	31	-2.0	-106.97	309.59	3.35	-103.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(C#N)=C1	REAL300000339088	0	35	-2.0	-122.20	344.22	6.95	-115.25
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339089	0	35	-2.0	-124.45	336.38	7.24	-117.21
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300000339090	1	38	-2.0	-119.91	368.47	7.96	-111.95
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000339091	0	31	-2.0	-104.35	323.62	1.79	-102.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC(C(F)(F)F)=C1	REAL300000339093	0	27	-2.0	-107.44	291.46	3.71	-103.73
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C(C(N)=O)O1	REAL300000339095	0	35	-2.0	-114.92	343.88	1.60	-113.32
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339096	1	40	-2.0	-117.46	356.37	8.50	-108.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=CC(C(F)(F)F)=C1	REAL300000339098	0	36	-2.0	-124.90	340.96	6.50	-118.40
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1F	REAL300000339099	0	32	-2.0	-117.18	330.54	6.42	-110.76
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)N=N1	REAL300000339100	0	30	-2.0	-115.65	303.32	2.32	-113.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=CC(C(F)(F)F)=C1	REAL300000339101	0	38	-2.0	-112.43	354.27	5.67	-106.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=CC(C(F)(F)F)=C1	REAL300000339102	0	38	-2.0	-109.47	351.67	5.87	-103.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=CC(C(F)(F)F)=C1	REAL300000339103	0	38	-2.0	-114.64	347.31	6.06	-108.58
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339104	0	34	-2.0	-111.88	328.30	6.72	-105.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=CC(C(F)(F)F)=C1	REAL300000339105	0	28	-2.0	-112.96	310.19	5.44	-107.52
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339106	0	33	-2.0	-101.16	319.60	3.33	-97.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=CC(C(F)(F)F)=C1	REAL300000339108	1	32	-2.0	-103.82	319.26	4.78	-99.04
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339109	0	38	-2.0	-107.97	356.32	5.71	-102.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=CC(C(F)(F)F)=C1	REAL300000339110	0	34	-2.0	-117.46	334.14	6.28	-111.18
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(C2CC2)=N1	REAL300000339111	0	38	-2.0	-116.16	359.67	5.92	-110.24
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(F)(F)F)=C3)=C21	REAL300000339112	0	38	-2.0	-118.15	345.66	7.93	-110.22
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=CN=C1N	REAL300000339113	1	35	-2.0	-114.93	332.40	3.70	-111.23
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339114	0	31	-2.0	-112.09	322.04	1.87	-110.22
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)N=CN1	REAL300000339115	0	31	-2.0	-122.55	303.30	4.07	-118.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=CC(C(F)(F)F)=C1	REAL300000339117	0	28	-2.0	-112.79	310.55	5.54	-107.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=CC(C(F)(F)F)=C1	REAL300000339118	0	35	-2.0	-119.92	341.12	7.19	-112.73
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000339119	1	40	-2.0	-118.26	368.76	8.20	-110.06
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339120	0	32	-2.0	-118.06	329.22	6.35	-111.71
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339121	0	38	-2.0	-111.85	349.05	5.57	-106.28
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339123	1	37	-2.0	-115.39	334.03	7.63	-107.76
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339124	0	40	-2.0	-106.77	351.41	5.89	-100.88
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=N1	REAL300000339125	0	40	-2.0	-113.27	368.89	5.71	-107.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=CC(C(F)(F)F)=C1	REAL300000339126	0	38	-2.0	-113.23	352.96	5.08	-108.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=CC(C(F)(F)F)=C1	REAL300000339127	1	34	-2.0	-115.85	332.71	6.82	-109.03
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000339128	0	34	-2.0	-107.37	326.89	4.22	-103.15
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1C	REAL300000339130	1	37	-2.0	-118.20	337.21	7.31	-110.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=CC(C(F)(F)F)=C1	REAL300000339131	0	34	-2.0	-126.53	325.70	7.30	-119.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=CC(C(F)(F)F)=C1	REAL300000339132	1	38	-2.0	-118.01	353.59	8.09	-109.92
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=CS1	REAL300000339133	0	32	-2.0	-120.39	326.61	4.45	-115.94
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339134	0	40	-2.0	-111.40	365.85	5.84	-105.56
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)O1	REAL300000339136	0	34	-2.0	-114.77	330.45	5.59	-109.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)S1	REAL300000339137	0	32	-2.0	-112.26	328.15	4.45	-107.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CC(C(F)(F)F)=C1	REAL300000339138	0	34	-2.0	-109.78	337.05	4.70	-105.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CC(C(F)(F)F)=C1	REAL300000339139	1	34	-2.0	-118.51	326.35	6.92	-111.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC(C(F)(F)F)=C1	REAL300000339140	0	34	-2.0	-117.56	329.87	6.39	-111.17
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=N1	REAL300000339141	0	33	-2.0	-111.88	325.08	2.85	-109.03
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1Cl	REAL300000339142	0	34	-2.0	-110.26	346.07	4.91	-105.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC(C(F)(F)F)=C1	REAL300000339143	0	28	-2.0	-108.19	304.12	4.60	-103.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=CC(C(F)(F)F)=C1	REAL300000339145	0	35	-2.0	-115.96	348.54	7.32	-108.64
CC1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000339146	0	31	-2.0	-113.93	308.96	4.66	-109.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=CC(C(F)(F)F)=C1	REAL300000339147	0	30	-2.0	-99.85	322.00	4.63	-95.22
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339148	0	37	-2.0	-112.59	349.14	5.94	-106.65
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(F)(F)F)=C3)=CC=C21	REAL300000339149	1	38	-2.0	-122.92	358.09	7.76	-115.16
CN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1Cl	REAL300000339150	0	31	-2.0	-109.89	324.57	4.05	-105.84
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)OC=C1	REAL300000339151	0	29	-2.0	-115.43	306.21	4.45	-110.98
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339152	0	33	-2.0	-106.68	332.46	5.39	-101.29
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(=O)NC(=O)N1	REAL300000339153	1	34	-2.0	-115.31	327.80	1.72	-113.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC(C(F)(F)F)=C1	REAL300000339155	0	28	-2.0	-111.63	303.49	4.51	-107.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CC(C(F)(F)F)=C1	REAL300000339156	0	28	-2.0	-109.13	313.18	5.51	-103.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=CC(C(F)(F)F)=C1	REAL300000339157	1	38	-2.0	-121.63	347.93	8.16	-113.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(C)=N1	REAL300000339159	1	37	-2.0	-108.65	347.22	3.44	-105.21
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339160	0	37	-2.0	-119.98	351.76	3.83	-116.15
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1C	REAL300000339161	0	37	-2.0	-109.43	351.71	3.41	-106.02
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=N1	REAL300000339162	0	40	-2.0	-112.23	367.34	6.14	-106.09
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339163	0	40	-2.0	-113.54	368.31	5.74	-107.80
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=CO1	REAL300000339164	0	29	-2.0	-114.17	307.67	4.41	-109.76
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)SC=C1	REAL300000339165	0	29	-2.0	-120.47	315.25	5.33	-115.14
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300000339166	0	37	-2.0	-110.46	347.62	5.19	-105.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CC(C(F)(F)F)=C1	REAL300000339167	0	38	-2.0	-108.19	356.59	6.10	-102.09
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000339168	1	34	-2.0	-111.93	335.78	2.35	-109.58
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=NN1C(C)C	REAL300000339169	0	40	-2.0	-114.99	369.20	5.74	-109.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=CC(C(F)(F)F)=C1	REAL300000339170	0	33	-2.0	-115.18	333.62	5.10	-110.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC(C(F)(F)F)=C1	REAL300000339172	1	32	-2.0	-116.44	315.40	3.13	-113.31
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC(C(F)(F)F)=C1	REAL300000339173	0	27	-2.0	-105.42	290.03	3.59	-101.83
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C(Cl)S1	REAL300000339174	0	31	-2.0	-109.63	329.62	6.40	-103.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC(C(F)(F)F)=C1	REAL300000339175	0	27	-2.0	-110.20	290.96	3.10	-107.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=CC(C(F)(F)F)=C1	REAL300000339176	0	38	-2.0	-116.02	350.10	5.31	-110.71
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300000339177	0	34	-2.0	-121.23	331.63	6.73	-114.50
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CCC2=CC=CC=C2)C2=CC=CC=C2)=C1	REAL300000339192	0	45	-2.0	-114.92	382.75	9.50	-105.42
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1CO	REAL300000339204	0	43	-2.0	-117.20	375.16	2.57	-114.63
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1CO	REAL300000339207	0	39	-2.0	-107.15	360.09	3.35	-103.80
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1CO	REAL300000339210	0	39	-2.0	-108.86	352.50	2.84	-106.02
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1CO	REAL300000339212	0	36	-2.0	-105.95	340.20	1.79	-104.16
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1CO	REAL300000339215	1	40	-2.0	-110.15	353.67	2.13	-108.02
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1CO	REAL300000339217	0	39	-2.0	-98.34	355.13	2.49	-95.85
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1CO	REAL300000339219	1	36	-2.0	-103.23	337.64	1.85	-101.38
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1CO	REAL300000339223	0	46	-2.0	-118.18	397.45	3.34	-114.84
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1CO	REAL300000339224	0	42	-2.0	-108.18	376.86	3.39	-104.79
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1CO	REAL300000339226	0	39	-2.0	-102.15	349.00	1.95	-100.20
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1CO	REAL300000339227	0	43	-2.0	-109.35	375.00	1.89	-107.46
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1CO	REAL300000339229	1	42	-2.0	-102.86	367.73	3.58	-99.28
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1CO	REAL300000339232	1	39	-2.0	-108.77	355.62	2.67	-106.10
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1CO	REAL300000339233	1	39	-2.0	-92.89	359.04	3.38	-89.51
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1CO	REAL300000339234	1	39	-2.0	-94.92	350.51	2.86	-92.06
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1CO	REAL300000339235	0	36	-2.0	-100.72	339.29	1.91	-98.81
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1CO	REAL300000339236	1	39	-2.0	-98.36	352.42	2.87	-95.49
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1CO	REAL300000339237	0	42	-2.0	-106.80	371.75	3.52	-103.28
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1CO	REAL300000339238	0	39	-2.0	-94.63	351.45	2.89	-91.74
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1CO	REAL300000339240	1	42	-2.0	-104.54	376.46	3.98	-100.56
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1CO	REAL300000339241	1	39	-2.0	-100.52	357.85	2.85	-97.67
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1CO	REAL300000339242	1	41	-2.0	-93.02	374.20	3.48	-89.54
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1CO	REAL300000339243	0	40	-2.0	-111.11	356.74	0.49	-110.62
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1CO	REAL300000339243	1	40	-2.0	-108.80	355.83	1.36	-107.44
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1CO	REAL300000339249	1	41	-2.0	-106.48	372.58	3.90	-102.58
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1CO	REAL300000339250	0	39	-2.0	-96.83	357.75	2.94	-93.89
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1CO	REAL300000339252	0	42	-2.0	-110.06	368.50	3.37	-106.69
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1CO	REAL300000339253	0	42	-2.0	-105.66	377.75	3.95	-101.71
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1CO	REAL300000339254	0	42	-2.0	-117.11	372.06	3.47	-113.64
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1CO	REAL300000339257	1	42	-2.0	-101.30	373.28	3.96	-97.34
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1CO	REAL300000339259	1	43	-2.0	-107.90	374.01	3.03	-104.87
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1CO	REAL300000339263	0	41	-2.0	-119.41	370.74	4.61	-114.80
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1CO	REAL300000339264	0	39	-2.0	-116.36	350.64	2.79	-113.57
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1CO	REAL300000339265	1	42	-2.0	-100.80	370.96	3.48	-97.32
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1CO	REAL300000339266	0	38	-2.0	-109.53	343.24	0.89	-108.64
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1CO	REAL300000339267	0	43	-2.0	-99.60	374.22	2.60	-97.00
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1CO	REAL300000339268	0	36	-2.0	-95.42	346.16	1.78	-93.64
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1CO	REAL300000339270	1	46	-2.0	-105.15	391.45	4.69	-100.46
CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1CO	REAL300000339271	0	42	-2.0	-101.37	368.15	2.79	-98.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C(=O)CCC2=O)C=C1	REAL300000339272	1	41	-2.0	-102.17	366.35	6.58	-95.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C(=O)CCC2=O)=C1	REAL300000339273	1	41	-2.0	-116.57	366.34	6.59	-109.98
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C(=O)CCC2=O)=C1	REAL300000339274	0	38	-2.0	-110.49	359.53	5.60	-104.89
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C(=O)CCC2=O)C=C1C(=O)[O-]	REAL300000339275	0	42	-2.0	-114.61	372.99	5.92	-108.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C(=O)CCC2=O)=CS1	REAL300000339276	0	38	-2.0	-108.73	357.99	5.62	-103.11
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C(=O)CCC2=O)C=C(C(=O)[O-])O1	REAL300000339277	0	41	-2.0	-109.93	367.34	5.57	-104.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2C(=O)CCC2=O)S1	REAL300000339278	0	38	-2.0	-103.24	358.60	5.72	-97.52
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2CN2C(=O)CCC2=O)=C1	REAL300000339279	0	40	-2.0	-111.51	358.74	5.13	-106.38
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000339280	0	37	-2.0	-83.65	333.76	2.47	-81.18
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000339281	0	30	-2.0	-97.01	281.59	4.03	-92.98
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)ON=C1C	REAL300000339282	0	38	-2.0	-100.47	336.90	4.96	-95.51
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000339283	0	30	-2.0	-94.49	292.40	4.76	-89.73
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)ON=C1C	REAL300000339284	0	34	-2.0	-106.44	305.43	3.67	-102.77
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000339285	0	30	-2.0	-94.65	293.30	4.49	-90.16
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000339286	0	34	-2.0	-89.37	308.74	5.18	-84.19
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000339287	0	33	-2.0	-99.92	293.25	4.54	-95.38
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000339288	0	30	-2.0	-95.01	289.05	4.62	-90.39
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000339289	0	30	-2.0	-95.15	289.56	4.40	-90.75
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000339290	0	30	-2.0	-92.78	302.85	4.82	-87.96
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000339291	0	36	-2.0	-101.86	308.38	5.35	-96.51
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000339292	0	30	-2.0	-95.98	281.46	4.11	-91.87
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000339293	0	36	-2.0	-88.52	320.87	5.46	-83.06
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000339294	0	27	-2.0	-93.85	269.16	3.06	-90.79
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000339295	0	33	-2.0	-102.40	292.72	4.67	-97.73
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000339296	0	34	-2.0	-88.05	308.37	4.16	-83.89
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000339297	0	41	-2.0	-84.61	353.94	4.95	-79.66
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000339298	0	27	-2.0	-90.97	286.17	3.83	-87.14
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000339299	0	34	-2.0	-100.61	300.18	2.87	-97.74
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000339300	0	30	-2.0	-95.12	300.88	4.68	-90.44
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000339301	0	30	-2.0	-89.90	285.11	3.73	-86.17
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000339302	0	36	-2.0	-103.53	307.49	5.26	-98.27
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000339303	0	27	-2.0	-95.06	268.71	3.05	-92.01
COC1=CC(S(=O)(=O)[N-]C2=C(C)ON=C2C)=CC(C(=O)[O-])=C1OC	REAL300000339304	0	38	-2.0	-101.49	335.62	3.69	-97.80
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)ON=C2C)C=C1C(=O)[O-]	REAL300000339305	0	34	-2.0	-106.89	304.58	3.95	-102.94
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000339306	0	40	-2.0	-106.02	332.52	6.52	-99.50
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000339307	0	39	-2.0	-104.50	331.19	5.88	-98.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)ON=C1C	REAL300000339308	0	36	-2.0	-98.69	306.12	5.77	-92.92
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)ON=C1C	REAL300000339309	0	37	-2.0	-106.19	327.72	4.43	-101.76
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000339310	0	32	-3.0	-173.40	304.65	4.57	-168.83
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000339311	0	37	-2.0	-104.29	321.30	5.90	-98.39
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000339312	0	30	-2.0	-95.75	280.32	3.02	-92.73
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000339313	0	36	-2.0	-105.81	319.46	3.66	-102.15
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000339314	0	34	-2.0	-100.13	304.94	3.11	-97.02
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000339315	0	38	-2.0	-87.49	330.69	4.62	-82.87
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000339316	0	30	-2.0	-89.29	304.73	4.85	-84.44
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000339317	0	30	-2.0	-94.04	294.87	4.47	-89.57
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000339318	0	34	-2.0	-85.50	324.16	4.83	-80.67
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000339319	0	37	-2.0	-88.47	328.44	4.86	-83.61
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000339320	0	40	-2.0	-86.66	356.80	5.26	-81.40
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000339321	0	33	-2.0	-91.55	297.78	4.83	-86.72
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000339322	0	43	-2.0	-87.39	370.65	5.92	-81.47
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000339323	0	34	-2.0	-86.58	314.35	4.35	-82.23
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000339324	0	40	-2.0	-86.19	366.60	5.74	-80.45
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)ON=C2C)C=C1C(=O)[O-]	REAL300000339325	0	37	-2.0	-106.33	326.19	4.98	-101.35
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000339326	0	30	-2.0	-98.88	286.98	3.77	-95.11
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000339327	0	30	-2.0	-89.12	304.20	5.06	-84.06
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000339328	0	30	-2.0	-85.38	289.03	4.61	-80.77
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000339329	0	30	-2.0	-85.10	292.38	4.75	-80.35
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000339330	0	30	-2.0	-88.99	281.82	3.92	-85.07
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000339331	0	27	-2.0	-90.69	269.55	3.01	-87.68
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000339332	0	30	-2.0	-92.15	283.70	3.95	-88.20
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000339333	0	33	-2.0	-97.27	301.74	4.75	-92.52
COC1=CC(S(=O)(=O)[N-]C2=C(C)ON=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000339334	0	34	-2.0	-91.65	317.59	4.49	-87.16
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000339335	0	30	-2.0	-86.67	281.45	4.12	-82.55
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000339336	0	30	-2.0	-86.91	289.79	4.29	-82.62
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000339337	0	33	-2.0	-93.21	306.52	5.21	-88.00
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000339338	0	33	-2.0	-90.88	307.22	5.21	-85.67
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000339339	0	38	-2.0	-86.37	341.03	5.29	-81.08
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000339340	0	30	-2.0	-86.44	293.53	4.38	-82.06
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000339341	0	30	-2.0	-90.73	288.12	3.98	-86.75
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000339342	0	32	-2.0	-84.96	305.25	4.67	-80.29
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000339343	0	30	-3.0	-189.23	282.13	2.61	-186.62
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000339343	1	31	-2.0	-101.47	287.00	1.57	-99.90
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000339344	0	33	-2.0	-94.86	310.31	4.98	-89.88
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000339345	0	33	-2.0	-92.80	299.47	4.66	-88.14
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000339346	0	30	-2.0	-92.03	298.00	4.41	-87.62
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000339347	0	33	-2.0	-95.44	287.01	4.67	-90.77
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000339348	0	33	-2.0	-93.72	310.54	5.30	-88.42
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000339349	0	33	-2.0	-100.26	302.12	4.53	-95.73
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000339350	0	33	-2.0	-87.95	291.39	4.82	-83.13
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000339351	0	36	-2.0	-104.94	313.88	5.11	-99.83
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000339352	0	32	-2.0	-100.05	303.33	4.97	-95.08
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000339353	0	30	-2.0	-88.09	287.74	4.17	-83.92
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000339354	0	27	-2.0	-87.56	286.01	3.76	-83.80
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000339355	0	36	-2.0	-101.18	310.51	5.35	-95.83
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000339356	0	33	-2.0	-100.22	301.87	4.63	-95.59
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(Cl)C(C)=CC(C(=O)[O-])=C1	REAL300000339357	0	33	-2.0	-96.65	307.74	5.18	-91.47
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000339358	0	33	-2.0	-103.59	300.99	4.74	-98.85
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)ON=C2C)C=C1C(=O)[O-]	REAL300000339359	0	36	-2.0	-100.53	310.72	5.22	-95.31
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000339360	0	30	-2.0	-93.67	298.23	4.60	-89.07
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)ON=C2C)C=C1CC(=O)[O-]	REAL300000339361	0	37	-2.0	-101.98	327.52	4.13	-97.85
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000339362	0	33	-2.0	-90.54	302.66	5.11	-85.43
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000339363	0	33	-2.0	-86.05	307.41	4.69	-81.36
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C(C)=C1	REAL300000339364	0	33	-2.0	-98.86	308.51	4.84	-94.02
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000339365	0	30	-2.0	-93.96	298.59	4.50	-89.46
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(Br)C(C)=CC(C(=O)[O-])=C1	REAL300000339366	0	33	-2.0	-96.37	310.56	5.32	-91.05
CCN1C=C(S(=O)(=O)[N-]C2=C(C)ON=C2C)C=C1C(=O)[O-]	REAL300000339367	0	34	-2.0	-100.57	305.23	4.09	-96.48
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000339368	0	30	-2.0	-87.36	298.08	4.80	-82.56
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000339369	0	30	-2.0	-87.27	301.57	4.60	-82.67
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000339370	0	34	-2.0	-86.63	320.68	4.31	-82.32
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000339371	0	33	-2.0	-94.39	306.30	4.89	-89.50
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000339372	0	39	-2.0	-98.69	326.14	6.08	-92.61
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)ON=C2C)C=C1C(=O)[O-]	REAL300000339373	0	34	-2.0	-101.06	317.38	4.63	-96.43
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000339374	0	33	-2.0	-89.18	292.94	4.46	-84.72
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000339375	0	35	-2.0	-91.62	319.65	6.19	-85.43
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000339376	0	33	-2.0	-98.10	295.93	4.86	-93.24
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000339377	0	32	-2.0	-107.40	301.03	5.71	-101.69
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000339378	0	30	-2.0	-104.52	280.95	3.91	-100.61
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000339379	0	33	-2.0	-92.71	297.62	4.49	-88.22
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000339380	0	36	-2.0	-108.94	317.43	6.06	-102.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)ON=C1C	REAL300000339381	0	34	-2.0	-93.33	305.49	3.67	-89.66
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000339382	0	27	-2.0	-89.61	277.43	2.87	-86.74
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000339383	0	34	-2.0	-96.56	321.07	4.43	-92.13
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000339384	0	33	-2.0	-90.83	320.38	1.04	-89.79
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000339385	0	37	-2.0	-95.71	323.42	5.77	-89.94
CC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000339386	0	37	-2.0	-97.51	321.38	5.74	-91.77
CCC1=C(S(=O)(=O)[N-]C2=C(C)ON=C2C)C=C(C(=O)[O-])O1	REAL300000339387	0	33	-2.0	-93.95	299.18	4.01	-89.94
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000339388	1	41	-2.0	-105.02	375.02	4.94	-100.08
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000339389	1	41	-2.0	-95.37	370.49	4.91	-90.46
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000339390	1	41	-2.0	-107.39	370.50	4.90	-102.49
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000339391	1	44	-2.0	-108.71	386.52	5.44	-103.27
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000339392	0	41	-2.0	-104.28	375.97	4.97	-99.31
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000339393	0	38	-2.0	-101.96	363.68	3.93	-98.03
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C21	REAL300000339394	1	44	-2.0	-107.90	385.93	5.69	-102.21
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C21	REAL300000339395	0	42	-2.0	-106.04	377.15	4.26	-101.78
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C21	REAL300000339396	0	41	-2.0	-98.19	379.61	4.59	-93.60
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000339397	0	38	-2.0	-103.42	362.15	3.95	-99.47
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C21	REAL300000339398	0	41	-2.0	-101.27	373.51	4.05	-97.22
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C21	REAL300000339399	0	41	-2.0	-104.31	379.10	4.80	-99.51
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000339400	1	41	-2.0	-94.90	375.04	4.95	-89.95
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000339401	0	38	-2.0	-96.95	362.77	4.04	-92.91
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000339402	1	41	-2.0	-98.42	376.89	4.97	-93.45
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000339403	0	41	-2.0	-94.79	375.95	4.98	-89.81
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000339404	0	42	-2.0	-106.39	380.21	2.62	-103.77
COCCN1N=CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000339404	1	42	-2.0	-106.70	379.44	3.40	-103.30
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000339405	1	44	-2.0	-98.36	392.66	5.69	-92.67
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C21	REAL300000339406	1	44	-2.0	-104.26	380.57	5.54	-98.72
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C21	REAL300000339407	1	44	-2.0	-95.46	385.90	5.69	-89.77
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C=NN(CCOC)C3=C2)C=C1C(=O)[O-]	REAL300000339408	0	45	-2.0	-107.36	398.52	5.13	-102.23
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C21	REAL300000339409	1	44	-2.0	-95.47	386.51	5.45	-90.02
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000339410	0	41	-2.0	-112.19	374.12	4.93	-107.26
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000339411	0	40	-2.0	-105.08	366.71	3.04	-102.04
COCCN1N=CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000339412	0	38	-2.0	-95.36	370.65	3.89	-91.47
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C=NN(CCOC)C3=C2)C=C(C(=O)[O-])O1	REAL300000339413	0	44	-2.0	-101.00	392.63	4.90	-96.10
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1F	REAL300000339416	1	36	-2.0	-101.98	337.79	6.23	-95.75
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1	REAL300000339417	1	28	-2.0	-98.31	294.59	5.85	-92.46
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1F	REAL300000339420	1	32	-2.0	-108.23	306.30	4.93	-103.30
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1	REAL300000339424	1	28	-2.0	-98.95	291.24	5.71	-93.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C(Cl)C=C1Cl	REAL300000339426	1	28	-2.0	-94.73	303.74	6.08	-88.65
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1	REAL300000339428	1	28	-2.0	-100.67	283.65	5.20	-95.47
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1	REAL300000339430	0	25	-2.0	-98.86	271.36	4.16	-94.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C(Br)S1	REAL300000339434	1	25	-2.0	-94.88	288.35	4.93	-89.95
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1	REAL300000339437	0	28	-2.0	-95.18	287.28	4.82	-90.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=CS1	REAL300000339439	1	25	-2.0	-106.56	265.41	4.27	-102.29
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1F	REAL300000339445	1	35	-2.0	-109.96	328.60	5.70	-104.26
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(F)=C2F)=C1	REAL300000339446	0	31	-2.0	-105.68	306.66	5.63	-100.05
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)C=C(C(=O)[O-])O1	REAL300000339448	1	28	-2.0	-97.78	281.18	4.28	-93.50
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1	REAL300000339450	1	32	-2.0	-106.77	307.09	4.23	-102.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C(Cl)C=C1F	REAL300000339453	1	28	-2.0	-95.94	295.76	5.72	-90.22
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1	REAL300000339462	1	28	-2.0	-93.04	306.40	6.16	-86.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)C(Cl)=C1	REAL300000339463	1	28	-2.0	-90.00	291.22	5.70	-84.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)S1	REAL300000339466	0	25	-2.0	-94.02	270.44	4.26	-89.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1F	REAL300000339468	1	31	-2.0	-101.86	303.92	5.84	-96.02
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C(Cl)C=C1C(=O)[O-]	REAL300000339469	1	32	-2.0	-94.72	318.48	5.76	-88.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)C(F)=C1	REAL300000339470	1	28	-2.0	-91.98	283.63	5.21	-86.77
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(F)=C2F)=C1	REAL300000339477	0	29	-2.0	-102.52	286.14	3.69	-98.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=CC=C1[N+](=O)[O-]	REAL300000339484	1	30	-2.0	-108.72	300.30	6.32	-102.40
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1	REAL300000339485	1	28	-2.0	-92.86	289.91	5.27	-87.59
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)S1	REAL300000339486	0	25	-2.0	-92.06	290.75	4.82	-87.24
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000339488	1	31	-2.0	-101.51	299.65	5.74	-95.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1Cl	REAL300000339489	1	31	-2.0	-100.43	309.95	6.28	-94.15
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1	REAL300000339490	1	31	-2.0	-110.32	303.21	5.83	-104.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C(F)C(Cl)=C1F	REAL300000339499	1	28	-2.0	-91.68	303.79	5.70	-85.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)C(OC(F)(F)F)=C1	REAL300000339500	1	32	-2.0	-91.52	322.87	5.43	-86.09
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)C([N+](=O)[O-])=C1	REAL300000339505	0	33	-2.0	-96.05	321.43	7.33	-88.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1[N+](=O)[O-]	REAL300000339507	0	30	-2.0	-112.86	301.90	6.99	-105.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1F	REAL300000339508	1	28	-2.0	-109.70	281.81	5.17	-104.53
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1	REAL300000339511	0	27	-2.0	-109.69	270.74	3.30	-106.39
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1F	REAL300000339512	1	32	-2.0	-96.21	306.38	4.94	-91.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C(Cl)O1	REAL300000339513	0	25	-2.0	-92.15	278.28	4.12	-88.03
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)=C1	REAL300000339515	0	31	-2.0	-96.12	321.49	2.17	-93.95
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2F)C=C(C(=O)[O-])O1	REAL300000339518	1	31	-2.0	-97.30	300.29	5.13	-92.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=CC=C1F	REAL300000339519	1	31	-2.0	-93.62	314.52	6.10	-87.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000339521	1	31	-2.0	-95.54	309.99	6.07	-89.47
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000339522	0	35	-2.0	-100.38	338.13	5.85	-94.53
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)C=C1	REAL300000339523	1	35	-2.0	-84.30	341.45	7.36	-76.94
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000339525	0	31	-2.0	-91.31	323.06	6.64	-84.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=CC=C1Cl	REAL300000339526	1	31	-2.0	-91.77	322.49	6.46	-85.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C1C	REAL300000339527	1	37	-2.0	-98.26	342.38	7.38	-90.88
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000339528	0	31	-2.0	-92.43	315.47	6.13	-86.30
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)C=C1	REAL300000339529	1	37	-2.0	-83.50	353.56	7.66	-75.84
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000339530	0	28	-2.0	-90.40	303.17	5.09	-85.31
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000339531	1	34	-2.0	-96.50	325.42	6.85	-89.65
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000339533	1	32	-2.0	-94.28	316.63	5.41	-88.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000339535	0	31	-2.0	-86.77	319.11	5.74	-81.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=CS1	REAL300000339537	0	28	-2.0	-91.83	301.64	5.10	-86.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000339539	1	37	-2.0	-95.18	340.14	7.78	-87.40
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000339540	0	31	-2.0	-90.32	313.00	5.20	-85.12
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000339541	0	35	-2.0	-96.82	338.97	5.15	-91.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000339542	1	34	-2.0	-87.71	330.69	6.88	-80.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000339543	1	31	-2.0	-93.36	318.59	5.97	-87.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)C(Cl)=C1	REAL300000339544	0	31	-2.0	-82.16	323.04	6.63	-75.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)C=C1F	REAL300000339545	1	31	-2.0	-84.30	314.51	6.11	-78.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)S1	REAL300000339546	0	28	-2.0	-85.71	302.26	5.19	-80.52
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000339547	1	31	-2.0	-87.02	316.39	6.13	-80.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C1F	REAL300000339548	0	34	-2.0	-93.69	335.75	6.77	-86.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)C(F)=C1	REAL300000339549	0	31	-2.0	-83.47	315.45	6.14	-77.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)C=C1Cl	REAL300000339550	1	31	-2.0	-82.07	322.48	6.47	-75.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=CC(F)=C1F	REAL300000339551	1	31	-2.0	-85.82	320.81	6.16	-79.66
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000339552	0	32	-2.0	-95.37	319.70	3.78	-91.59
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000339552	1	32	-2.0	-98.49	318.88	4.60	-93.89
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)C=C1	REAL300000339553	1	34	-2.0	-88.20	332.17	6.85	-81.35
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000339554	1	34	-2.0	-92.20	320.06	6.71	-85.49
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000339558	0	31	-2.0	-84.63	321.74	6.19	-78.44
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000339560	0	34	-2.0	-93.35	331.46	6.67	-86.68
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000339561	0	34	-2.0	-100.30	335.02	6.75	-93.55
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000339563	1	35	-2.0	-95.44	338.01	6.28	-89.16
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C1F	REAL300000339566	0	31	-2.0	-99.64	313.60	6.09	-93.55
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000339567	1	34	-2.0	-88.61	334.93	6.75	-81.86
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000339568	0	30	-2.0	-93.01	306.21	4.19	-88.82
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000339569	0	35	-2.0	-88.09	338.19	5.86	-82.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)=C(Cl)O1	REAL300000339570	0	28	-2.0	-84.39	310.13	5.05	-79.34
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000339571	0	34	-2.0	-90.30	332.12	6.05	-84.25
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000339572	0	35	-2.0	-100.08	341.17	4.62	-95.46
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000339573	0	35	-2.0	-91.19	336.62	4.61	-86.58
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000339574	0	35	-2.0	-104.02	336.91	4.59	-99.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1NC(C)=O	REAL300000339575	0	39	-2.0	-110.22	365.05	4.37	-105.85
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000339576	0	39	-2.0	-91.27	368.39	5.87	-85.40
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000339577	0	38	-2.0	-103.15	352.37	5.12	-98.03
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000339578	0	41	-2.0	-106.55	370.12	5.91	-100.64
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000339579	0	35	-2.0	-101.74	342.36	4.65	-97.09
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000339580	0	41	-2.0	-90.77	380.48	6.18	-84.59
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000339581	0	32	-2.0	-98.25	329.81	3.61	-94.64
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000339582	0	38	-2.0	-104.54	353.17	5.34	-99.20
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000339583	1	39	-2.0	-90.06	367.71	4.88	-85.18
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000339584	0	36	-2.0	-102.09	343.55	3.94	-98.15
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000339585	1	39	-2.0	-105.44	361.53	3.40	-102.04
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000339586	0	35	-2.0	-93.40	345.74	4.28	-89.12
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000339587	1	41	-2.0	-105.57	367.83	5.91	-99.66
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000339588	0	32	-2.0	-98.42	328.29	3.62	-94.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000339589	1	39	-2.0	-108.06	364.21	4.65	-103.41
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1NC(C)=O	REAL300000339590	0	41	-2.0	-103.09	367.87	6.27	-96.82
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000339591	0	35	-2.0	-97.56	340.74	3.72	-93.84
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000339592	0	39	-2.0	-101.56	365.55	3.69	-97.87
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000339593	0	35	-2.0	-100.97	347.42	4.44	-96.53
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000339594	0	35	-2.0	-90.63	341.43	4.64	-85.99
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000339595	0	32	-2.0	-92.47	329.18	3.71	-88.76
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000339596	0	35	-2.0	-93.69	343.33	4.64	-89.05
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000339597	0	35	-2.0	-90.07	342.38	4.66	-85.41
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000339598	0	36	-2.0	-103.96	347.46	2.27	-101.69
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000339599	0	38	-2.0	-95.45	359.10	5.36	-90.09
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000339600	0	38	-2.0	-98.30	346.40	5.22	-93.08
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000339601	1	38	-2.0	-91.38	353.16	5.34	-86.04
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000339602	0	41	-2.0	-106.57	371.01	5.64	-100.93
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000339603	1	41	-2.0	-102.96	370.96	5.98	-96.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000339604	0	41	-2.0	-103.79	371.62	5.79	-98.00
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000339605	0	39	-2.0	-101.92	364.87	4.79	-97.13
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000339606	0	38	-2.0	-91.08	352.65	5.12	-85.96
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000339607	0	35	-2.0	-104.63	340.25	4.62	-100.01
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000339608	0	34	-2.0	-102.00	333.60	2.65	-99.35
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1NC(C)=O	REAL300000339609	0	39	-2.0	-95.26	364.83	4.40	-90.86
CC(=O)NC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000339610	0	32	-2.0	-92.20	337.01	3.55	-88.65
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2NC(C)=O)C=C(C(=O)[O-])O1	REAL300000339611	0	38	-2.0	-97.48	359.58	4.57	-92.91
CCN(C1=CC=CC=C1OC)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000339639	0	41	-2.0	-112.31	371.23	7.32	-104.99
CCN(C1=CC=CC=C1OC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000339664	0	39	-2.0	-112.07	340.07	5.35	-106.72
CCOC1=CC=C(N(CC)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000339721	0	44	-2.0	-114.16	378.53	7.73	-106.43
CCOC1=CC=C(N(CC)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000339740	0	42	-2.0	-107.36	352.60	6.29	-101.07
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000339770	1	38	-2.0	-101.45	350.50	5.95	-95.50
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300000339771	1	38	-2.0	-92.06	345.96	5.93	-86.13
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000339772	1	38	-2.0	-103.60	345.97	5.92	-97.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300000339773	0	42	-2.0	-108.53	374.11	5.72	-102.81
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C21	REAL300000339774	1	42	-2.0	-91.74	377.42	7.21	-84.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)C=C1C(=O)[O-]	REAL300000339775	1	41	-2.0	-104.53	361.99	6.45	-98.08
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C21	REAL300000339776	0	38	-2.0	-99.27	359.04	6.49	-92.78
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000339777	1	38	-2.0	-99.64	358.47	6.31	-93.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)=C1C	REAL300000339778	1	44	-2.0	-106.33	378.36	7.23	-99.10
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C21	REAL300000339779	0	38	-2.0	-100.50	351.44	5.98	-94.52
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300000339780	1	44	-2.0	-90.71	389.53	7.51	-83.20
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000339781	0	35	-2.0	-98.26	339.15	4.93	-93.33
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300000339782	1	41	-2.0	-104.47	361.40	6.70	-97.77
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)C=C1C(=O)[O-]	REAL300000339784	0	39	-2.0	-102.18	352.62	5.27	-96.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)=C1	REAL300000339786	0	38	-2.0	-94.62	355.08	5.60	-89.02
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000339788	0	35	-2.0	-99.56	337.17	4.95	-94.61
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300000339790	1	44	-2.0	-103.08	376.12	7.64	-95.44
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)C=C(C(=O)[O-])O1	REAL300000339791	0	38	-2.0	-98.14	348.97	5.05	-93.09
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)=C1	REAL300000339792	0	42	-2.0	-104.77	374.95	5.01	-99.76
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300000339793	1	41	-2.0	-95.52	366.68	6.73	-88.79
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)C=C(C(=O)[O-])S1	REAL300000339794	0	38	-2.0	-101.23	354.57	5.81	-95.42
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C21	REAL300000339795	0	38	-2.0	-89.74	359.02	6.48	-83.26
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000339796	1	38	-2.0	-91.82	350.50	5.96	-85.86
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000339797	0	35	-2.0	-93.53	338.24	5.05	-88.48
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000339798	1	38	-2.0	-94.84	352.38	5.99	-88.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)=C1F	REAL300000339799	0	41	-2.0	-101.84	371.73	6.62	-95.22
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300000339800	0	38	-2.0	-91.28	351.43	5.99	-85.29
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000339801	1	38	-2.0	-89.72	358.46	6.32	-83.40
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000339802	1	38	-2.0	-93.37	356.79	6.01	-87.36
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C21	REAL300000339803	0	39	-2.0	-103.44	355.68	3.62	-99.82
CN1C(=O)N(C)C2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C21	REAL300000339803	1	39	-2.0	-103.35	344.70	4.51	-98.84
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C21	REAL300000339804	1	41	-2.0	-94.98	368.13	6.70	-88.28
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300000339805	1	41	-2.0	-100.02	356.03	6.56	-93.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)=CC(C(=O)[O-])=C1F	REAL300000339806	1	41	-2.0	-102.74	370.80	6.57	-96.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)=CC(C(=O)[O-])=C1C	REAL300000339808	1	44	-2.0	-107.81	382.77	7.09	-100.72
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C21	REAL300000339809	0	38	-2.0	-92.60	357.72	6.04	-86.56
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)C=C1C(=O)[O-]	REAL300000339811	0	41	-2.0	-101.50	367.44	6.52	-94.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)=C1	REAL300000339812	0	41	-2.0	-108.22	371.00	6.61	-101.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)C=C1C(=O)[O-]	REAL300000339813	1	44	-2.0	-105.18	379.90	7.10	-98.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)C=C1C(=O)[O-]	REAL300000339814	0	42	-2.0	-103.41	373.55	6.13	-97.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)=CC=C1C(=O)[O-]	REAL300000339815	1	41	-2.0	-92.10	361.97	6.46	-85.64
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300000339816	1	41	-2.0	-102.25	365.92	6.74	-95.51
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000339817	0	38	-2.0	-107.49	349.58	5.94	-101.55
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)C=C1C(=O)[O-]	REAL300000339818	1	41	-2.0	-96.45	370.91	6.60	-89.85
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000339819	0	37	-2.0	-101.06	342.18	4.04	-97.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300000339820	0	42	-2.0	-95.88	374.17	5.71	-90.17
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C21	REAL300000339821	0	35	-2.0	-92.20	346.12	4.89	-87.31
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N(C)C(=O)N3C)C=C(C(=O)[O-])O1	REAL300000339822	0	41	-2.0	-98.10	368.09	5.91	-92.19
CC1CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)CC(C)O1	REAL300000339825	0	44	-2.0	-102.39	385.33	4.34	-98.05
CC1CN(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)CC(C)O1	REAL300000339826	1	48	-2.0	-106.52	398.79	4.67	-101.85
CC1CN(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)CC(C)O1	REAL300000339827	1	44	-2.0	-103.83	383.79	4.36	-99.47
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CC(C)OC(C)C3)C=C2)C=C(C(=O)[O-])O1	REAL300000339828	0	47	-2.0	-102.16	395.15	4.47	-97.69
CC1CN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)CC(C)O1	REAL300000339829	0	44	-2.0	-97.23	384.41	4.44	-92.79
CC1CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)CC(C)O1	REAL300000339830	0	46	-2.0	-105.85	388.36	3.44	-102.41
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000339831	1	37	-2.0	-118.92	355.23	3.24	-115.68
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000339833	1	37	-2.0	-121.83	350.71	3.21	-118.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CS(C)(=O)=O)C=C1	REAL300000339834	0	41	-2.0	-127.54	378.84	3.01	-124.53
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000339835	1	41	-2.0	-109.23	382.15	4.50	-104.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CS(C)(=O)=O)C=C2)=C1C	REAL300000339837	1	43	-2.0	-126.57	383.10	4.52	-122.05
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000339838	0	37	-2.0	-119.53	356.18	3.26	-116.27
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000339839	1	43	-2.0	-108.42	394.26	4.78	-103.64
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000339840	0	34	-2.0	-117.46	343.89	2.24	-115.22
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CS(C)(=O)=O)C=C1	REAL300000339841	1	40	-2.0	-122.64	366.14	3.99	-118.65
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CS(C)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000339843	1	38	-2.0	-120.26	357.35	2.56	-117.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(CS(C)(=O)=O)C=C2)=C1	REAL300000339845	0	37	-2.0	-113.21	359.81	2.89	-110.32
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000339847	0	34	-2.0	-117.50	342.35	2.24	-115.26
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CS(C)(=O)=O)C=C1	REAL300000339849	1	43	-2.0	-120.83	380.84	4.93	-115.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(CS(C)(=O)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000339850	0	37	-2.0	-115.55	353.74	2.36	-113.19
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(CS(C)(=O)=O)C=C2)=C1	REAL300000339851	0	41	-2.0	-122.88	379.67	2.30	-120.58
CC1=C(S(=O)(=O)[N-]C2=CC=C(CS(C)(=O)=O)C=C2)C=C(C(=O)[O-])S1	REAL300000339852	1	37	-2.0	-119.04	359.30	3.10	-115.94
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000339853	1	37	-2.0	-109.22	355.23	3.25	-105.97
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000339854	0	34	-2.0	-111.88	342.96	2.33	-109.55
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000339855	1	37	-2.0	-112.62	357.11	3.27	-109.35
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000339856	0	37	-2.0	-109.57	356.17	3.29	-106.28
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000339857	0	38	-2.0	-121.78	360.41	0.93	-120.85
CS(=O)(=O)CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000339857	1	38	-2.0	-127.19	359.60	1.71	-125.48
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000339858	1	40	-2.0	-113.42	372.87	3.98	-109.44
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CS(C)(=O)=O)C=C1	REAL300000339859	1	40	-2.0	-119.13	364.52	3.95	-115.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CS(C)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000339864	1	41	-2.0	-121.55	378.72	3.44	-118.11
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000339866	0	37	-2.0	-128.14	354.36	3.25	-124.89
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000339867	0	36	-2.0	-119.91	346.91	1.34	-118.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CS(C)(=O)=O)C=C1	REAL300000339868	0	41	-2.0	-114.09	378.90	3.01	-111.08
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000339869	0	34	-2.0	-109.60	350.85	2.18	-107.42
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CS(C)(=O)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000339870	0	40	-2.0	-115.32	372.82	3.21	-112.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)=CC=C1F	REAL300000339871	1	37	-2.0	-103.61	354.99	6.88	-96.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)C=C1	REAL300000339872	1	37	-2.0	-93.82	350.43	6.86	-86.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)=C1	REAL300000339873	1	37	-2.0	-106.04	350.44	6.85	-99.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)C=C1C(=O)[O-]	REAL300000339874	1	40	-2.0	-107.05	366.47	7.39	-99.66
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)=C1	REAL300000339875	0	37	-2.0	-103.06	355.92	6.92	-96.14
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)=C1	REAL300000339876	0	34	-2.0	-100.30	343.63	5.88	-94.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=C(C3CC3)SC2=C1	REAL300000339877	1	40	-2.0	-106.71	365.87	7.64	-99.07
CN1C=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)C=C1C(=O)[O-]	REAL300000339878	0	38	-2.0	-104.34	357.08	6.21	-98.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)=C1	REAL300000339879	0	37	-2.0	-96.60	359.56	6.54	-90.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)=CS1	REAL300000339880	0	34	-2.0	-101.81	342.10	5.89	-95.92
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)C=C(C(=O)[O-])O1	REAL300000339881	0	37	-2.0	-99.85	353.46	5.99	-93.86
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)C=C(C(=O)[O-])S1	REAL300000339882	0	37	-2.0	-103.09	360.14	6.74	-96.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)C=C1F	REAL300000339883	1	37	-2.0	-93.41	354.97	6.89	-86.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)S1	REAL300000339884	0	34	-2.0	-95.42	342.71	5.97	-89.45
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)=C1	REAL300000339885	1	37	-2.0	-96.91	356.85	6.92	-89.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)C(F)=C1	REAL300000339886	0	37	-2.0	-93.18	355.91	6.92	-86.26
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)=C1	REAL300000339887	0	38	-2.0	-105.60	360.17	4.57	-101.03
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3N=C(C4CC4)SC3=C2)=C1	REAL300000339887	1	38	-2.0	-106.69	359.36	5.34	-101.35
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)C=C1	REAL300000339888	1	40	-2.0	-96.98	372.62	7.64	-89.34
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2N=C(C3CC3)SC2=C1	REAL300000339889	1	40	-2.0	-102.57	360.52	7.49	-95.08
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2N=C(C3CC3)SC2=C1	REAL300000339890	1	40	-2.0	-94.02	365.85	7.63	-86.39
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)C=C1C(=O)[O-]	REAL300000339891	0	41	-2.0	-105.69	378.48	7.06	-98.63
CC1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)=CC=C1C(=O)[O-]	REAL300000339892	1	40	-2.0	-93.85	366.45	7.40	-86.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)=C1F	REAL300000339893	0	37	-2.0	-110.46	354.11	6.88	-103.58
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)=C1	REAL300000339894	0	36	-2.0	-103.61	346.66	4.98	-98.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)=C(Cl)O1	REAL300000339895	0	34	-2.0	-93.81	350.60	5.83	-87.98
CCC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)SC3=C2)C=C(C(=O)[O-])O1	REAL300000339896	0	40	-2.0	-99.64	372.58	6.84	-92.80
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(C(N)=O)C=C1OC	REAL300000339897	0	40	-2.0	-115.95	360.79	1.34	-114.61
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C(C(N)=O)C=C1OC	REAL300000339898	0	40	-2.0	-106.03	356.24	1.32	-104.71
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C(N)=O)C=C1OC	REAL300000339899	0	40	-2.0	-118.78	356.26	1.31	-117.47
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C(C(N)=O)C=C1OC	REAL300000339900	0	43	-2.0	-120.14	372.28	1.85	-118.29
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(C(N)=O)C=C1OC	REAL300000339901	0	40	-2.0	-115.35	361.74	1.38	-113.97
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(C(N)=O)C=C1OC	REAL300000339902	0	37	-2.0	-113.10	349.44	0.34	-112.76
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C(C(N)=O)C=C1OC	REAL300000339903	0	43	-2.0	-118.06	371.70	2.11	-115.95
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C(N)=O)C=C1OC	REAL300000339904	0	41	-2.0	-117.20	362.91	0.67	-116.53
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(C(N)=O)C=C1OC	REAL300000339905	0	37	-2.0	-114.35	347.91	0.36	-113.99
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(C(N)=O)C=C1OC	REAL300000339906	0	40	-2.0	-111.67	359.26	0.46	-111.21
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(C(N)=O)C=C1OC	REAL300000339907	0	40	-2.0	-105.37	360.77	1.35	-104.02
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(C(N)=O)C=C1OC	REAL300000339908	0	37	-2.0	-107.90	348.52	0.44	-107.46
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(C(N)=O)C=C1OC	REAL300000339909	0	40	-2.0	-109.60	362.66	1.38	-108.22
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(C(N)=O)C=C1OC	REAL300000339910	0	40	-2.0	-105.72	361.72	1.39	-104.33
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C(C(N)=O)C=C1OC	REAL300000339911	0	41	-2.0	-116.37	365.97	-0.97	-117.34
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C(C(N)=O)C=C1OC	REAL300000339912	0	43	-2.0	-108.87	378.45	2.10	-106.77
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C(C(N)=O)C=C1OC	REAL300000339913	0	43	-2.0	-115.67	366.29	1.95	-113.72
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C(C(N)=O)C=C1OC	REAL300000339914	0	43	-2.0	-105.71	371.67	2.09	-103.62
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000339915	0	44	-2.0	-118.47	384.21	1.53	-116.94
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C(C(N)=O)C=C1OC	REAL300000339916	0	43	-2.0	-106.21	372.26	1.86	-104.35
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(C(N)=O)C=C1OC	REAL300000339917	0	40	-2.0	-123.97	359.89	1.34	-122.63
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(C(N)=O)C=C1OC	REAL300000339918	0	39	-2.0	-116.88	352.47	-0.56	-117.44
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000339919	0	43	-2.0	-110.35	374.62	1.29	-109.06
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000339920	0	36	-2.0	-92.95	348.99	1.91	-91.04
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000339921	0	29	-2.0	-107.70	297.06	3.34	-104.36
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000339922	0	37	-2.0	-109.66	352.13	4.41	-105.25
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=N1	REAL300000339923	0	29	-2.0	-106.03	308.95	4.02	-102.01
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000339924	0	29	-2.0	-98.78	292.51	3.33	-95.45
N#CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000339925	0	29	-2.0	-109.89	292.53	3.31	-106.58
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000339926	0	33	-2.0	-116.29	320.66	3.12	-113.17
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000339927	0	29	-2.0	-105.44	308.78	3.80	-101.64
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000339928	0	33	-2.0	-98.80	323.98	4.61	-94.19
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C1C(=O)[O-]	REAL300000339929	0	32	-2.0	-112.26	312.62	3.95	-108.31
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000339930	0	29	-2.0	-106.52	305.60	3.89	-102.63
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000339931	0	29	-2.0	-105.90	305.04	3.70	-102.20
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=N1	REAL300000339932	0	29	-2.0	-102.34	318.10	4.25	-98.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)=C1C	REAL300000339933	0	35	-2.0	-114.03	324.90	4.63	-109.40
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000339934	0	29	-2.0	-108.01	298.01	3.38	-104.63
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000339935	0	35	-2.0	-98.01	336.10	4.90	-93.11
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000339936	0	26	-2.0	-104.67	285.72	2.34	-102.33
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000339937	0	32	-2.0	-112.20	307.96	4.10	-108.10
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000339938	0	33	-2.0	-97.34	323.60	3.59	-93.75
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C=N1	REAL300000339939	0	40	-2.0	-93.73	369.37	4.37	-89.36
N#CCN1C=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=N1	REAL300000339940	0	26	-2.0	-102.37	302.71	3.10	-99.27
CN1C=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C1C(=O)[O-]	REAL300000339941	0	30	-2.0	-108.73	299.17	2.68	-106.05
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000339942	0	33	-2.0	-112.62	316.78	2.12	-110.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)=C1	REAL300000339943	0	29	-2.0	-101.73	301.63	3.00	-98.73
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C1C(=O)[O-]	REAL300000339944	0	35	-2.0	-113.29	323.98	4.63	-108.66
N#CCN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000339945	0	26	-2.0	-105.98	284.18	2.35	-103.63
COC1=CC(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000339946	0	37	-2.0	-111.89	350.85	3.13	-108.76
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C1C(=O)[O-]	REAL300000339947	0	33	-2.0	-115.79	319.81	3.40	-112.39
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000339948	0	39	-2.0	-115.83	347.79	5.94	-109.89
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000339949	0	38	-2.0	-114.10	346.43	5.32	-108.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000339950	0	35	-2.0	-110.81	322.70	5.02	-105.79
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000339951	0	36	-2.0	-115.35	342.94	3.89	-111.46
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000339952	0	31	-3.0	-184.00	320.94	3.89	-180.11
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000339953	0	36	-2.0	-116.14	336.77	5.21	-110.93
CC1=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C(C(=O)[O-])O1	REAL300000339954	0	29	-2.0	-105.37	295.52	2.47	-102.90
N#CCN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000339955	0	35	-2.0	-114.90	334.69	3.10	-111.80
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000339957	0	37	-2.0	-98.89	346.17	3.92	-94.97
N#CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000339958	0	29	-2.0	-101.09	320.21	4.16	-96.93
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000339959	0	29	-2.0	-103.59	310.13	3.89	-99.70
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000339960	0	33	-2.0	-95.83	339.63	4.13	-91.70
CC1=CC(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)=CC=C1OCC(=O)[O-]	REAL300000339961	0	36	-2.0	-97.76	343.67	4.30	-93.46
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=N1	REAL300000339962	0	39	-2.0	-96.74	372.27	4.56	-92.18
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000339963	0	32	-2.0	-102.97	313.22	4.14	-98.83
CC1=CC(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000339964	0	42	-2.0	-98.00	386.12	5.23	-92.77
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000339965	0	33	-2.0	-96.83	329.83	3.66	-93.17
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000339966	0	39	-2.0	-96.41	382.08	5.04	-91.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C1C(=O)[O-]	REAL300000339967	0	36	-2.0	-118.01	341.70	4.29	-113.72
CC1=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C(C(=O)[O-])S1	REAL300000339968	0	29	-2.0	-108.48	302.24	3.20	-105.28
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000339969	0	29	-2.0	-100.53	320.75	4.34	-96.19
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000339970	0	29	-2.0	-96.31	305.57	3.88	-92.43
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=N1	REAL300000339971	0	29	-2.0	-95.90	308.92	4.01	-91.89
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000339972	0	29	-2.0	-98.31	297.05	3.36	-94.95
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000339973	0	26	-2.0	-100.56	284.80	2.44	-98.12
N#CCN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000339974	0	29	-2.0	-101.21	298.94	3.37	-97.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)=C1F	REAL300000339975	0	32	-2.0	-109.52	318.26	4.03	-105.49
COC1=CC(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000339976	0	33	-2.0	-101.18	332.83	3.94	-97.24
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000339977	0	29	-2.0	-97.91	297.98	3.39	-94.52
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000339978	0	29	-2.0	-96.30	305.02	3.72	-92.58
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000339979	0	32	-2.0	-104.63	321.96	4.52	-100.11
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000339980	0	32	-2.0	-100.48	323.87	4.55	-95.93
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000339981	0	37	-2.0	-95.72	356.27	4.72	-91.00
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000339982	0	29	-2.0	-95.86	308.75	3.81	-92.05
N#CCN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000339983	0	29	-2.0	-100.87	303.35	3.40	-97.47
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000339984	0	31	-2.0	-95.78	320.72	3.98	-91.80
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000339985	0	30	-2.0	-111.73	302.25	1.04	-110.69
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C1C(=O)[O-]	REAL300000339986	0	32	-2.0	-98.46	328.08	-0.08	-98.54
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000339987	0	32	-2.0	-102.80	314.70	4.09	-98.71
N#CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000339988	0	29	-2.0	-102.19	313.24	3.84	-98.35
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000339989	0	32	-2.0	-106.65	302.56	3.94	-102.71
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000339990	0	32	-2.0	-105.13	326.01	4.61	-100.52
CC1=CC(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)=CC(C(=O)[O-])=C1F	REAL300000339991	0	32	-2.0	-109.09	317.37	3.96	-105.13
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000339992	0	32	-2.0	-99.32	307.95	4.09	-95.23
CC1=CC(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)=CC(C(=O)[O-])=C1C	REAL300000339993	0	35	-2.0	-115.64	329.31	4.48	-111.16
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000339994	0	31	-2.0	-108.83	319.09	4.40	-104.43
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000339995	0	29	-2.0	-99.83	304.29	3.44	-96.39
N#CCN1C=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=N1	REAL300000339996	0	26	-2.0	-98.24	305.11	3.00	-95.24
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C1C(=O)[O-]	REAL300000339998	0	32	-2.0	-109.19	314.03	3.91	-105.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)=C1Cl	REAL300000339999	0	32	-2.0	-108.56	324.31	4.45	-104.11
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C1C(=O)[O-]	REAL300000340001	0	35	-2.0	-111.65	326.46	4.50	-107.15
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C1CC(=O)[O-]	REAL300000340002	0	36	-2.0	-113.68	343.01	3.44	-110.24
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000340003	0	32	-2.0	-100.17	319.34	4.44	-95.73
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000340004	0	32	-2.0	-95.52	322.64	4.12	-91.40
CC1=CC(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000340005	0	32	-2.0	-107.78	323.76	4.27	-103.51
N#CCN1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000340006	0	29	-2.0	-102.92	313.82	3.92	-99.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)=C1Br	REAL300000340007	0	32	-2.0	-108.17	327.13	4.58	-103.59
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C1C(=O)[O-]	REAL300000340008	0	33	-2.0	-109.98	320.54	3.54	-106.44
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C(C)=C1CC(=O)[O-]	REAL300000340009	0	41	-2.0	-109.98	357.66	6.19	-103.79
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000340010	0	29	-2.0	-98.81	318.11	3.87	-94.94
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=N1	REAL300000340011	0	33	-2.0	-97.77	337.23	3.61	-94.16
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C1C(=O)[O-]	REAL300000340012	0	32	-2.0	-98.73	325.78	-0.78	-99.51
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C(C(=O)[O-])S1	REAL300000340013	0	38	-2.0	-108.17	342.03	5.44	-102.73
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C1C(=O)[O-]	REAL300000340014	0	33	-2.0	-112.34	332.84	3.96	-108.38
CC1=CC(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)=CC=C1C(=O)[O-]	REAL300000340015	0	32	-2.0	-99.04	308.54	3.86	-95.18
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000340016	0	34	-2.0	-102.41	335.80	5.51	-96.90
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000340017	0	32	-2.0	-109.82	312.49	4.12	-105.70
N#CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000340018	0	31	-2.0	-117.36	316.27	5.17	-112.19
N#CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000340019	0	29	-2.0	-114.18	296.18	3.34	-110.84
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C1C(=O)[O-]	REAL300000340020	0	32	-2.0	-98.28	318.30	-1.02	-99.30
N#CCN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000340021	0	35	-2.0	-119.47	333.57	5.45	-114.02
N#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000340022	0	28	-2.0	-107.70	288.74	1.44	-106.26
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC#N)N=C1	REAL300000340023	0	33	-2.0	-102.88	320.74	3.11	-99.77
N#CCN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000340024	0	26	-2.0	-99.17	292.68	2.29	-96.88
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000340025	0	33	-2.0	-105.49	336.31	3.88	-101.61
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)=C1	REAL300000340026	0	32	-2.0	-101.80	335.85	0.35	-101.45
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000340027	0	36	-2.0	-105.33	338.66	5.20	-100.13
N#CCN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000340028	0	36	-2.0	-106.69	337.97	5.20	-101.49
CCC1=C(S(=O)(=O)[N-]C2=CN(CC#N)N=C2)C=C(C(=O)[O-])O1	REAL300000340029	0	32	-2.0	-105.56	314.65	3.32	-102.24
CC1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C2=C1	REAL300000340060	0	38	-2.0	-112.21	342.84	8.21	-104.00
CC1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000340091	0	36	-2.0	-111.46	312.88	6.32	-105.14
CCC1=CC=C(N(CC)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000340156	0	43	-2.0	-112.59	370.04	8.95	-103.64
CCC1=CC=C(N(CC)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000340181	0	41	-2.0	-108.44	344.10	7.52	-100.92
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000340223	0	45	-2.0	-92.81	394.73	4.66	-88.15
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000340224	0	38	-2.0	-110.07	342.80	6.10	-103.97
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000340225	0	46	-2.0	-110.45	397.89	7.17	-103.28
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000340226	0	38	-2.0	-99.83	338.24	6.09	-93.74
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000340227	0	38	-2.0	-112.91	338.27	6.07	-106.84
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000340228	0	42	-2.0	-118.07	366.41	5.87	-112.20
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000340229	0	42	-2.0	-98.92	369.72	7.37	-91.55
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000340230	0	41	-2.0	-114.27	354.28	6.61	-107.66
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000340231	0	38	-2.0	-107.80	351.34	6.65	-101.15
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000340232	0	38	-2.0	-108.59	350.77	6.46	-102.13
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000340233	0	44	-2.0	-115.08	371.37	7.40	-107.68
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000340234	0	38	-2.0	-110.03	343.74	6.13	-103.90
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000340235	0	44	-2.0	-98.27	381.84	7.65	-90.62
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000340236	0	35	-2.0	-107.06	331.45	5.08	-101.98
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000340237	0	41	-2.0	-113.08	353.70	6.85	-106.23
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000340238	0	42	-2.0	-97.62	369.33	6.37	-91.25
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000340239	0	39	-2.0	-111.18	344.92	5.42	-105.76
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000340240	0	42	-2.0	-113.56	362.05	4.91	-108.65
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000340241	0	38	-2.0	-103.04	347.40	5.76	-97.28
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000340242	0	44	-2.0	-114.40	369.71	7.39	-107.01
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000340243	0	35	-2.0	-108.43	329.92	5.10	-103.33
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000340244	0	46	-2.0	-113.41	396.58	5.88	-107.53
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000340245	0	42	-2.0	-118.76	365.56	6.14	-112.62
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000340246	0	48	-2.0	-117.48	393.50	8.70	-108.78
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000340247	0	47	-2.0	-115.34	392.17	8.08	-107.26
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000340248	0	44	-2.0	-110.74	368.39	7.80	-102.94
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000340249	0	45	-2.0	-119.11	388.70	6.64	-112.47
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000340250	0	40	-3.0	-190.03	366.67	6.63	-183.40
CCCOC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000340250	1	41	-2.0	-109.25	366.69	6.59	-102.66
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000340251	0	45	-2.0	-117.76	382.51	7.97	-109.79
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000340252	0	38	-2.0	-105.99	341.27	5.21	-100.78
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000340253	0	44	-2.0	-117.85	380.43	5.84	-112.01
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000340254	0	42	-2.0	-113.86	367.25	5.17	-108.69
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000340255	0	46	-2.0	-98.53	391.18	6.67	-91.86
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000340256	0	38	-2.0	-104.26	355.86	6.66	-97.60
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000340257	0	42	-2.0	-96.07	385.36	6.89	-89.18
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000340258	0	45	-2.0	-98.19	389.42	7.06	-91.13
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000340259	0	41	-2.0	-103.53	358.98	6.89	-96.64
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000340260	0	42	-2.0	-96.93	375.56	6.42	-90.51
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000340261	0	45	-2.0	-119.42	387.40	7.05	-112.37
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000340262	0	38	-2.0	-109.37	346.89	5.96	-103.41
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000340263	0	38	-2.0	-97.10	351.31	6.64	-90.46
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000340264	0	38	-2.0	-99.15	342.78	6.11	-93.04
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000340265	0	35	-2.0	-101.71	330.52	5.20	-96.51
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000340266	0	38	-2.0	-103.57	344.67	6.14	-97.43
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000340267	0	41	-2.0	-111.60	364.01	6.77	-104.83
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000340268	0	42	-2.0	-101.76	378.57	6.70	-95.06
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000340269	0	38	-2.0	-99.46	343.73	6.14	-93.32
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000340270	0	38	-2.0	-97.35	350.75	6.47	-90.88
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000340271	0	41	-2.0	-105.23	367.71	7.27	-97.96
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000340272	0	46	-2.0	-95.50	402.00	7.48	-88.02
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000340273	0	38	-2.0	-101.39	349.08	6.16	-95.23
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000340274	0	40	-2.0	-97.57	366.45	6.74	-90.83
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000340275	0	39	-2.0	-111.66	347.98	3.77	-107.89
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000340276	0	41	-2.0	-103.29	360.44	6.85	-96.44
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000340277	0	38	-2.0	-102.96	358.97	6.60	-96.36
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000340278	0	41	-2.0	-109.15	348.31	6.70	-102.45
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000340279	0	41	-2.0	-111.53	363.10	6.72	-104.81
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000340280	0	41	-2.0	-99.70	353.68	6.84	-92.86
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000340281	0	44	-2.0	-116.44	371.14	7.14	-109.30
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000340282	0	40	-2.0	-110.47	364.82	7.17	-103.30
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000340283	0	38	-2.0	-101.57	350.00	6.20	-95.37
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000340284	0	44	-2.0	-113.63	371.80	7.48	-106.15
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000340285	0	41	-2.0	-111.29	359.74	6.67	-104.62
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000340286	0	41	-2.0	-109.81	370.05	7.20	-102.61
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000340287	0	41	-2.0	-118.49	363.30	6.76	-111.73
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000340288	0	44	-2.0	-115.01	372.23	7.26	-107.75
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000340289	0	45	-2.0	-115.77	388.73	6.20	-109.57
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000340290	0	41	-2.0	-102.28	364.53	7.26	-95.02
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000340291	0	41	-2.0	-110.53	369.49	7.03	-103.50
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000340292	0	42	-2.0	-112.49	366.29	6.28	-106.21
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000340293	0	50	-2.0	-113.62	403.41	8.94	-104.68
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000340294	0	41	-2.0	-106.35	368.13	7.04	-99.31
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000340295	0	47	-2.0	-108.62	387.70	8.21	-100.41
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000340296	0	42	-2.0	-113.35	378.59	6.71	-106.64
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000340297	0	41	-2.0	-101.62	358.32	6.72	-94.90
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000340298	0	43	-2.0	-103.96	381.52	8.25	-95.71
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000340299	0	41	-2.0	-110.03	358.22	6.89	-103.14
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000340300	0	40	-2.0	-120.44	362.02	7.93	-112.51
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000340301	0	38	-2.0	-117.59	341.90	6.11	-111.48
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000340302	0	41	-2.0	-104.53	359.43	6.64	-97.89
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000340303	0	44	-2.0	-121.60	379.31	8.19	-113.41
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000340304	0	37	-2.0	-110.90	334.47	4.18	-106.72
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000340305	0	42	-2.0	-104.20	366.47	5.86	-98.34
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000340306	0	35	-2.0	-100.01	338.37	5.03	-94.98
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000340307	0	45	-2.0	-106.22	384.39	7.96	-98.26
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000340308	0	45	-2.0	-110.02	382.35	7.93	-102.09
CCCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000340309	0	41	-2.0	-105.54	360.40	6.06	-99.48
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000340324	1	37	-2.0	-112.33	353.74	3.32	-109.01
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000340325	1	37	-2.0	-104.82	349.18	3.32	-101.50
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000340326	1	37	-2.0	-121.87	349.22	3.30	-118.57
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)(=O)=O	REAL300000340327	0	41	-2.0	-127.70	377.36	3.10	-124.60
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000340328	1	41	-2.0	-103.78	380.65	4.61	-99.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000340329	1	40	-2.0	-116.60	365.24	3.84	-112.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)=C1C	REAL300000340330	1	43	-2.0	-125.73	382.32	4.63	-121.10
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000340331	0	37	-2.0	-118.59	354.69	3.38	-115.21
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000340332	1	43	-2.0	-103.92	392.78	4.90	-99.02
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000340333	0	34	-2.0	-114.74	342.40	2.32	-112.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)(=O)=O	REAL300000340334	1	40	-2.0	-123.70	364.66	4.07	-119.63
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000340335	1	41	-2.0	-102.84	380.27	3.60	-99.24
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000340336	0	38	-2.0	-113.73	355.85	2.65	-111.08
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)(=O)=O	REAL300000340337	1	41	-2.0	-115.83	370.43	2.20	-113.63
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)=C1	REAL300000340338	0	37	-2.0	-109.24	358.32	2.99	-106.25
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000340339	1	43	-2.0	-125.16	380.67	4.62	-120.54
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000340340	0	34	-2.0	-111.30	340.86	2.32	-108.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000340341	1	41	-2.0	-120.90	376.50	3.37	-117.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)(=O)=O	REAL300000340342	1	43	-2.0	-118.47	371.02	4.58	-113.89
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)C=C(C(=O)[O-])O1	REAL300000340343	0	37	-2.0	-108.55	351.72	2.45	-106.10
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)=C1	REAL300000340344	0	41	-2.0	-119.93	376.13	2.63	-117.30
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)C=C(C(=O)[O-])S1	REAL300000340345	0	37	-2.0	-119.33	357.84	3.19	-116.14
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000340346	1	37	-2.0	-104.81	353.72	3.33	-101.48
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000340347	0	34	-2.0	-105.90	341.47	2.43	-103.47
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000340348	1	37	-2.0	-106.79	355.62	3.37	-103.42
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000340349	0	37	-2.0	-103.88	354.68	3.38	-100.50
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000340350	0	38	-2.0	-115.32	356.83	1.24	-114.08
CS(=O)(=O)CC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000340350	1	38	-2.0	-123.98	351.11	1.52	-122.46
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000340351	1	40	-2.0	-109.58	371.37	4.09	-105.49
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)(=O)=O	REAL300000340352	1	40	-2.0	-114.00	356.22	4.01	-109.99
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)(=O)=O	REAL300000340353	1	40	-2.0	-102.78	361.11	4.14	-98.64
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)=CC(C(=O)[O-])=C1C	REAL300000340354	1	43	-2.0	-125.21	382.09	4.37	-120.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)C(C)=C1C(=O)[O-]	REAL300000340355	1	43	-2.0	-118.56	380.12	4.80	-113.76
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000340356	1	43	-2.0	-124.02	383.50	4.49	-119.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000340357	0	41	-2.0	-114.95	377.23	3.51	-111.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300000340358	1	40	-2.0	-104.75	365.22	3.85	-100.90
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000340359	0	37	-2.0	-124.11	352.85	3.33	-120.78
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000340360	0	36	-2.0	-118.64	345.43	1.43	-117.21
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)(=O)=O	REAL300000340361	0	41	-2.0	-109.68	377.42	3.10	-106.58
CS(=O)(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000340362	0	34	-2.0	-103.13	349.31	2.28	-100.85
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)(=O)=O)C=C(C(=O)[O-])O1	REAL300000340363	0	40	-2.0	-107.15	360.25	3.63	-103.52
CC1=CC(OC2=NC=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000340367	0	37	-2.0	-106.06	359.91	3.12	-102.94
CC1=CC(OC2=NC=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000340369	1	41	-2.0	-110.20	373.37	3.45	-106.75
CC1=CC(OC2=NC=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000340370	1	37	-2.0	-107.90	358.38	3.14	-104.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=NC=CC=N3)C=C2C)C=C(C(=O)[O-])O1	REAL300000340371	0	40	-2.0	-105.92	369.72	3.23	-102.69
CC1=CC(OC2=NC=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000340372	0	37	-2.0	-100.73	358.99	3.22	-97.51
CC1=CC(OC2=NC=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000340377	0	39	-2.0	-109.71	362.94	2.22	-107.49
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340378	1	40	-2.0	-128.85	354.77	7.32	-121.53
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340379	1	37	-2.0	-131.75	339.34	6.54	-125.21
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C(C(=O)[O-])=C1	REAL300000340382	0	31	-2.0	-136.14	293.06	6.17	-129.97
CC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340383	0	34	-2.0	-95.98	316.13	5.54	-90.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C(C(=O)[O-])=C1	REAL300000340384	0	30	-2.0	-117.31	296.42	4.52	-112.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000340385	1	32	-2.0	-123.11	305.38	6.28	-116.83
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C(C(=O)[O-])=C1	REAL300000340386	1	32	-2.0	-118.73	305.37	6.28	-112.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C(C(=O)[O-])=C1	REAL300000340387	0	31	-2.0	-124.88	306.77	6.47	-118.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000340388	0	32	-2.0	-135.58	302.63	6.18	-129.40
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(C)=C2)C(C(=O)[O-])=C1	REAL300000340389	1	34	-2.0	-122.57	324.05	7.07	-115.50
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C(C(=O)[O-])=C1	REAL300000340391	0	31	-2.0	-126.59	301.04	6.59	-120.00
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000340394	0	41	-2.0	-95.27	367.79	4.97	-90.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000340394	1	40	-3.0	-180.09	369.48	5.03	-175.06
CC1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340395	0	34	-2.0	-100.56	315.63	6.42	-94.14
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000340397	0	35	-2.0	-123.57	333.86	7.98	-115.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C(C(=O)[O-])=C1	REAL300000340398	1	40	-2.0	-129.06	347.39	5.83	-123.23
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340399	1	36	-2.0	-125.97	328.76	7.08	-118.89
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340400	0	41	-3.0	-197.57	372.64	7.54	-190.03
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C)C=C1C(=O)[O-]	REAL300000340400	1	42	-2.0	-106.07	369.96	7.02	-99.05
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C(C(=O)[O-])=C1	REAL300000340401	0	28	-2.0	-119.93	298.16	5.61	-114.32
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C(Cl)=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000340402	0	37	-2.0	-124.15	344.28	8.39	-115.76
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000340405	1	34	-2.0	-119.07	323.29	6.89	-112.18
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000340407	0	34	-2.0	-102.65	311.10	6.39	-96.26
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340408	0	39	-2.0	-136.24	342.30	4.97	-131.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1OC	REAL300000340409	1	39	-2.0	-126.92	343.30	5.09	-121.83
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340411	0	33	-2.0	-117.68	299.48	4.81	-112.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000340412	1	31	-2.0	-117.98	316.48	6.87	-111.11
CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340413	0	34	-2.0	-119.33	311.19	6.39	-112.94
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340413	1	33	-3.0	-205.57	313.02	6.45	-199.12
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000340414	1	31	-2.0	-116.55	297.27	6.01	-110.54
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000340415	0	31	-2.0	-122.08	314.42	6.97	-115.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000340416	1	34	-2.0	-123.59	323.64	6.90	-116.69
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340417	1	34	-2.0	-129.79	305.98	6.56	-123.23
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000340419	0	34	-2.0	-129.55	309.18	7.24	-122.31
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000340420	1	34	-2.0	-117.00	336.46	7.31	-109.69
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000340421	1	31	-2.0	-124.25	301.29	6.41	-117.84
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000340422	0	34	-2.0	-120.91	336.43	7.45	-113.46
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340423	1	36	-2.0	-126.50	325.80	6.30	-120.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000340426	1	31	-2.0	-116.92	307.16	6.46	-110.46
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340427	1	36	-2.0	-139.12	327.33	6.37	-132.75
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340429	1	40	-2.0	-122.10	361.18	7.48	-114.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C(C(=O)[O-])=C1	REAL300000340430	0	31	-2.0	-125.16	312.88	6.91	-118.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000340431	1	37	-2.0	-124.40	340.08	6.63	-117.77
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)N(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000340435	1	42	-2.0	-128.75	380.16	3.89	-124.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340436	0	37	-3.0	-207.18	341.16	6.25	-200.93
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C)C=C1C(=O)[O-]	REAL300000340436	1	38	-2.0	-106.36	338.49	5.72	-100.64
CC1=CC=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000340437	0	38	-2.0	-100.63	342.77	7.68	-92.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000340437	1	37	-3.0	-186.61	344.47	7.74	-178.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000340438	0	28	-2.0	-119.72	293.53	5.51	-114.21
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340440	0	35	-2.0	-135.18	312.82	5.68	-129.50
CC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340441	0	37	-2.0	-100.93	327.07	6.92	-94.01
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340442	0	42	-2.0	-149.68	369.18	4.55	-145.13
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000340443	0	31	-2.0	-123.01	302.64	6.08	-116.93
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000340444	1	31	-2.0	-118.54	318.03	6.92	-111.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000340445	0	31	-2.0	-128.14	297.69	6.45	-121.69
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C(C(=O)[O-])=C1	REAL300000340446	1	31	-2.0	-124.21	305.85	6.51	-117.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340447	1	33	-2.0	-124.20	312.77	6.56	-117.64
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000340448	1	36	-2.0	-120.64	328.26	7.33	-113.31
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340449	1	33	-2.0	-117.47	325.24	6.94	-110.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000340451	0	33	-2.0	-140.80	305.65	7.31	-133.49
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000340452	0	33	-3.0	-195.63	326.09	7.01	-188.62
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000340452	1	34	-2.0	-99.02	323.26	6.57	-92.45
CC1=CC=C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340453	0	34	-2.0	-98.11	323.61	6.78	-91.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340453	1	33	-3.0	-200.62	325.54	6.84	-193.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000340456	0	31	-2.0	-123.91	296.45	6.02	-117.89
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000340457	1	31	-2.0	-124.51	290.96	5.96	-118.55
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000340458	1	31	-2.0	-117.78	297.38	6.03	-111.75
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C(C(=O)[O-])=C1	REAL300000340460	1	37	-2.0	-129.13	329.04	5.05	-124.08
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)C(C(=O)[O-])=C1	REAL300000340462	1	46	-2.0	-130.27	376.25	8.98	-121.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C(C(=O)[O-])=C1	REAL300000340463	1	31	-2.0	-120.90	301.29	6.41	-114.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C(C(=O)[O-])=C1	REAL300000340464	1	31	-2.0	-120.99	305.85	6.51	-114.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000340465	0	33	-2.0	-114.45	312.79	6.56	-107.89
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340466	1	38	-2.0	-133.37	340.90	4.77	-128.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000340467	0	31	-2.0	-127.47	298.38	5.69	-121.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000340468	1	47	-2.0	-131.97	399.69	6.82	-125.15
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000340469	0	40	-2.0	-99.39	342.85	7.72	-91.67
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340470	0	35	-2.0	-127.24	329.54	6.20	-121.04
CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC=C2C)C(C(=O)[O-])=C1	REAL300000340471	1	34	-2.0	-122.63	321.34	7.29	-115.34
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000340472	0	33	-2.0	-130.48	322.36	7.83	-122.65
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(=O)[O-])=C1	REAL300000340473	0	33	-3.0	-199.48	318.49	6.51	-192.97
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000340474	0	28	-2.0	-117.10	307.40	6.04	-111.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000340476	1	36	-2.0	-124.11	322.80	7.16	-116.95
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000340477	0	31	-2.0	-126.85	296.45	6.02	-120.83
CC1=CC=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000340478	0	40	-2.0	-99.80	354.74	7.97	-91.83
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000340478	1	39	-3.0	-185.67	356.59	8.04	-177.63
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340479	1	41	-2.0	-132.96	361.20	5.59	-127.37
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C(C(=O)[O-])=C1	REAL300000340480	1	35	-2.0	-121.93	320.30	2.71	-119.22
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340482	1	35	-2.0	-126.30	324.75	6.91	-119.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C(C(=O)[O-])=C1	REAL300000340483	1	36	-2.0	-123.53	326.58	4.34	-119.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C(C(=O)[O-])=C1	REAL300000340484	1	39	-2.0	-124.74	344.39	5.08	-119.66
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1OCC	REAL300000340485	1	45	-2.0	-127.42	387.00	6.94	-120.48
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(=O)[O-])=C1	REAL300000340487	0	30	-3.0	-197.89	306.21	5.47	-192.42
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C(C(=O)[O-])=C1	REAL300000340488	1	34	-2.0	-121.34	316.31	3.39	-117.95
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000340490	0	37	-2.0	-98.13	325.68	7.19	-90.94
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000340490	1	36	-3.0	-200.50	328.45	7.23	-193.27
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340491	0	37	-2.0	-126.56	321.25	4.92	-121.64
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340492	1	39	-2.0	-134.44	361.18	2.06	-132.38
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000340493	1	39	-2.0	-121.21	345.55	7.91	-113.30
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C2CC1C	REAL300000340494	1	45	-2.0	-125.91	379.21	7.44	-118.47
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340495	1	37	-2.0	-122.44	339.32	6.55	-115.89
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340496	1	38	-2.0	-126.83	340.99	4.17	-122.66
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000340497	1	36	-2.0	-128.98	338.74	0.85	-128.13
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000340498	1	35	-2.0	-123.75	339.84	6.02	-117.73
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)C(C(=O)[O-])=C1	REAL300000340499	1	42	-2.0	-135.81	362.35	7.01	-128.80
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])=CC=C21	REAL300000340500	1	45	-2.0	-142.66	377.23	7.48	-135.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C(C(=O)[O-])=C1	REAL300000340501	1	35	-2.0	-126.53	319.06	2.67	-123.86
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])=CC=C21	REAL300000340502	1	42	-2.0	-138.18	365.15	7.00	-131.18
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000340504	1	37	-2.0	-132.97	330.51	8.18	-124.79
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=CS1	REAL300000340505	0	34	-2.0	-137.47	324.14	6.20	-131.27
CC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000340507	0	38	-2.0	-100.59	342.45	6.67	-93.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000340509	1	42	-2.0	-131.60	368.79	10.01	-121.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C(C(=O)[O-])=C1	REAL300000340512	0	31	-2.0	-133.68	290.06	5.95	-127.73
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)C(C(=O)[O-])=C1	REAL300000340514	0	36	-2.0	-122.36	339.68	4.89	-117.47
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C(C(=O)[O-])=C1	REAL300000340515	1	36	-2.0	-123.25	326.94	6.40	-116.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)C(C(=O)[O-])=C1	REAL300000340516	0	39	-2.0	-146.72	345.91	7.16	-139.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(Cl)=C1	REAL300000340518	0	34	-2.0	-128.26	319.10	7.12	-121.14
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000340519	0	35	-2.0	-130.55	329.31	6.16	-124.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C(C(=O)[O-])=C1	REAL300000340521	1	36	-2.0	-128.14	338.75	0.85	-127.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)C(C(=O)[O-])=C1	REAL300000340522	1	39	-2.0	-124.08	347.39	6.32	-117.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000340523	0	37	-2.0	-136.35	335.10	6.62	-129.73
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)C(C(=O)[O-])=C1	REAL300000340524	1	37	-2.0	-120.95	341.12	2.88	-118.07
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000340525	1	38	-2.0	-120.95	350.40	5.15	-115.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)C(C(=O)[O-])=C1	REAL300000340527	1	37	-2.0	-123.23	338.69	5.85	-117.38
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000340528	1	35	-2.0	-122.04	330.56	5.68	-116.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000340529	1	37	-2.0	-134.79	345.26	3.41	-131.38
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340531	1	39	-2.0	-129.01	361.17	2.06	-126.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C(C(=O)[O-])=C1	REAL300000340532	0	31	-2.0	-119.04	304.09	6.52	-112.52
CC1=CC=C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C(C(=O)[O-])=C1	REAL300000340533	0	43	-2.0	-134.74	370.49	5.22	-129.52
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(F)=C1	REAL300000340534	0	38	-2.0	-143.33	346.11	4.85	-138.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C(C(=O)[O-])=C1	REAL300000340535	1	37	-2.0	-131.32	345.27	3.41	-127.91
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)C(C(=O)[O-])=C1	REAL300000340536	1	40	-2.0	-130.59	358.76	8.59	-122.00
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)N(C)C)=C2)C(C(=O)[O-])=C1	REAL300000340537	1	42	-2.0	-129.06	379.31	3.93	-125.13
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1OC	REAL300000340539	0	39	-2.0	-129.04	348.77	5.16	-123.88
CC1=CC=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340541	0	35	-2.0	-116.72	319.52	5.78	-110.94
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340541	1	34	-3.0	-203.28	319.67	5.80	-197.48
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C(C(=O)[O-])=C1	REAL300000340542	0	31	-2.0	-134.86	302.02	5.45	-129.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(Br)=C1	REAL300000340543	1	34	-2.0	-126.76	322.46	7.25	-119.51
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000340544	0	36	-2.0	-124.85	326.50	2.05	-122.80
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C(=O)[O-])=C1	REAL300000340545	0	38	-2.0	-104.90	333.27	4.86	-100.04
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340546	0	37	-2.0	-127.74	352.42	7.11	-120.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1F	REAL300000340549	1	35	-2.0	-123.71	320.28	5.26	-118.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000340552	1	38	-2.0	-121.84	335.17	3.34	-118.50
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)C3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000340554	1	47	-2.0	-135.23	393.72	9.10	-126.13
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000340555	1	36	-2.0	-113.60	328.27	7.33	-106.27
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CN1C	REAL300000340557	0	39	-2.0	-125.81	348.44	3.55	-122.26
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)C(C(=O)[O-])=C1	REAL300000340558	1	34	-2.0	-122.63	316.77	7.18	-115.45
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=N2)C=C1	REAL300000340560	0	41	-2.0	-126.70	366.53	7.68	-119.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C(C(=O)[O-])=C1	REAL300000340562	1	42	-2.0	-126.30	360.03	6.02	-120.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)C(C(=O)[O-])=C1	REAL300000340564	1	39	-2.0	-126.78	348.10	5.74	-121.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340565	0	33	-3.0	-193.45	322.13	6.13	-187.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000340566	1	32	-2.0	-115.21	320.77	6.69	-108.52
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C(C(=O)[O-])=C1	REAL300000340567	1	32	-2.0	-115.76	320.80	6.69	-109.07
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300000340568	0	40	-2.0	-99.81	344.29	7.80	-92.01
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000340569	1	35	-2.0	-132.27	322.92	6.26	-126.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C2=CC=CN=C12	REAL300000340570	1	40	-2.0	-130.80	349.86	5.67	-125.13
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000340571	1	34	-2.0	-125.43	320.03	7.00	-118.43
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000340572	0	31	-2.0	-130.44	306.22	6.45	-123.99
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Br)C(C(=O)[O-])=C1	REAL300000340573	1	31	-2.0	-117.68	307.45	6.65	-111.03
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340575	0	37	-2.0	-120.57	341.02	6.35	-114.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000340576	1	41	-2.0	-135.25	353.92	7.55	-127.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)C(C(=O)[O-])=C1	REAL300000340577	1	34	-2.0	-125.30	311.29	6.60	-118.70
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C(C(=O)[O-])=C1	REAL300000340579	0	31	-2.0	-119.02	324.90	7.70	-111.32
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C(C(=O)[O-])=C1	REAL300000340580	0	34	-2.0	-134.23	311.45	6.62	-127.61
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)C(C(=O)[O-])=C1	REAL300000340581	1	34	-2.0	-122.59	306.44	6.73	-115.86
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000340583	0	36	-2.0	-140.34	322.95	8.24	-132.10
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C(C(=O)[O-])=C1	REAL300000340584	0	39	-2.0	-129.43	349.86	5.14	-124.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C(C(=O)[O-])=C1	REAL300000340585	1	41	-2.0	-140.99	357.10	5.71	-135.28
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000340587	0	39	-2.0	-146.80	345.82	7.17	-139.63
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340590	0	30	-3.0	-199.62	304.67	5.49	-194.13
CC1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340590	1	31	-2.0	-100.16	304.16	5.46	-94.70
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000340591	0	34	-2.0	-128.96	326.90	7.79	-121.17
COC1=CC(S(=O)(=O)NC2=CC=C(C)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000340592	0	42	-2.0	-121.46	369.59	6.19	-115.27
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000340592	1	41	-3.0	-205.20	371.36	6.26	-198.94
CC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2C)C(C(=O)[O-])=C1	REAL300000340593	1	40	-2.0	-136.31	360.75	4.18	-132.13
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000340594	0	33	-2.0	-113.76	325.92	7.12	-106.64
COC1=CC=C(S(=O)(=O)NC2=CC=C(C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000340595	0	38	-2.0	-126.03	338.35	6.45	-119.58
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)C(C(=O)[O-])=C1	REAL300000340596	1	39	-2.0	-130.31	334.65	7.27	-123.04
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CS2)C(C(=O)[O-])=C1	REAL300000340598	0	28	-2.0	-122.26	296.87	5.45	-116.81
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340600	1	44	-2.0	-135.65	388.27	5.68	-129.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000340601	0	33	-2.0	-132.25	309.47	7.33	-124.92
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340602	0	45	-2.0	-137.63	395.02	4.69	-132.94
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(C(=O)[O-])=C1	REAL300000340603	0	44	-2.0	-104.88	364.81	8.63	-96.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(C(=O)[O-])=C1	REAL300000340603	1	43	-3.0	-207.15	368.25	9.08	-198.07
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C(=O)[O-])=C1	REAL300000340604	0	43	-2.0	-104.61	364.16	8.03	-96.58
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C(=O)[O-])=C1	REAL300000340604	1	42	-3.0	-203.39	366.22	8.43	-194.96
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C(C(=O)[O-])=C1	REAL300000340605	1	41	-2.0	-129.72	358.74	9.30	-120.42
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000340606	0	33	-2.0	-137.34	317.95	7.26	-130.08
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340607	1	42	-2.0	-138.27	375.32	5.56	-132.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)C(C(=O)[O-])=C1	REAL300000340610	1	42	-2.0	-138.83	372.62	5.86	-132.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2O)C(C(=O)[O-])=C1	REAL300000340611	0	35	-2.0	-127.52	315.75	4.25	-123.27
CC1=CC=C(NS(=O)(=O)C2=CC(C)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000340611	1	35	-2.0	-113.09	309.59	5.11	-107.98
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C)C=C1C(=O)[O-]	REAL300000340612	0	40	-2.0	-103.28	339.83	7.55	-95.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340612	1	39	-3.0	-194.52	338.67	7.99	-186.53
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C(C(=O)[O-])=C1	REAL300000340613	0	34	-2.0	-132.80	324.08	6.79	-126.01
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2)N(C)C2=C3C=CC=C2)C(C(=O)[O-])=C1	REAL300000340614	1	44	-2.0	-137.07	384.37	9.72	-127.35
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340615	0	40	-3.0	-205.45	363.45	7.01	-198.44
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C)C=C1C(=O)[O-]	REAL300000340615	1	41	-2.0	-109.16	360.78	6.49	-102.67
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340616	0	36	-3.0	-180.89	339.55	6.94	-173.95
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340616	1	35	-4.0	-298.27	341.42	7.01	-291.26
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000340617	0	34	-2.0	-120.27	332.43	5.65	-114.62
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C(=O)[O-])=C1	REAL300000340618	0	41	-2.0	-105.15	354.30	7.92	-97.23
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C(=O)[O-])=C1	REAL300000340618	1	40	-3.0	-207.23	357.27	8.35	-198.88
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(S(C)(=O)=O)=C2)C(C(=O)[O-])=C1	REAL300000340619	1	37	-2.0	-126.69	349.66	3.43	-123.26
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000340620	0	39	-2.0	-141.12	344.76	8.52	-132.60
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C(C(=O)[O-])=C1	REAL300000340621	1	35	-2.0	-118.57	322.36	6.26	-112.31
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000340622	0	31	-2.0	-124.58	299.47	6.25	-118.33
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000340623	0	41	-2.0	-134.06	380.67	4.81	-129.25
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000340624	0	41	-2.0	-124.86	378.06	4.86	-120.00
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000340625	0	33	-3.0	-192.73	316.03	5.59	-187.14
CC1=C(S(=O)(=O)NC2=CC=C(C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000340625	1	34	-2.0	-98.60	313.73	5.13	-93.47
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C(C(=O)[O-])=C1	REAL300000340626	0	34	-2.0	-149.68	312.75	5.09	-144.59
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340627	0	37	-2.0	-132.48	344.81	6.60	-125.88
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340628	0	41	-2.0	-137.80	356.08	7.27	-130.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000340629	1	34	-2.0	-116.19	328.88	6.95	-109.24
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340630	1	47	-2.0	-127.96	396.79	7.66	-120.30
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000340632	0	33	-2.0	-139.82	318.27	8.04	-131.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C(C(=O)[O-])=C1	REAL300000340633	1	36	-2.0	-137.57	332.89	6.06	-131.51
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000340634	1	44	-2.0	-134.80	375.78	8.48	-126.32
CC1=CC=C(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340635	0	40	-2.0	-122.92	353.28	6.16	-116.76
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340635	1	39	-3.0	-212.01	355.19	6.22	-205.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000340636	1	35	-2.0	-121.03	340.93	7.35	-113.68
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C(C(=O)[O-])=C1	REAL300000340637	0	30	-2.0	-118.03	300.90	4.69	-113.34
CC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2F)C(C(=O)[O-])=C1	REAL300000340640	0	37	-2.0	-140.60	350.74	3.47	-137.13
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000340641	0	33	-2.0	-144.36	310.58	7.51	-136.85
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(=O)[O-])=C1	REAL300000340642	0	37	-3.0	-214.32	341.94	5.54	-208.78
CC1=CC=C(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(=O)[O-])=C1	REAL300000340642	1	38	-2.0	-110.88	339.29	5.06	-105.82
CC1=CC=C(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C(C(=O)[O-])=C1	REAL300000340643	0	42	-2.0	-105.89	364.78	7.01	-98.88
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000340644	0	38	-2.0	-127.10	345.13	7.01	-120.09
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000340645	0	41	-2.0	-125.35	370.55	7.44	-117.91
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(C(=O)[O-])=C1	REAL300000340647	0	33	-3.0	-190.69	330.61	7.04	-183.65
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(C(=O)[O-])=C1	REAL300000340647	1	34	-2.0	-97.18	327.77	6.59	-90.59
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000340648	0	30	-2.0	-117.74	285.98	4.16	-113.58
CC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000340649	0	38	-2.0	-98.67	358.22	7.20	-91.47
CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)C(C(=O)[O-])=C1	REAL300000340650	0	31	-2.0	-127.00	311.34	6.58	-120.42
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000340651	1	37	-2.0	-124.70	339.00	7.40	-117.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)C(C(=O)[O-])=C1	REAL300000340652	1	41	-2.0	-124.11	364.81	6.80	-117.31
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340653	0	34	-2.0	-126.10	332.61	5.56	-120.54
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340654	1	39	-2.0	-115.46	338.53	8.08	-107.38
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C(C(=O)[O-])=C1	REAL300000340655	1	36	-2.0	-129.85	320.72	6.31	-123.54
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C(C(=O)[O-])=C1	REAL300000340656	0	37	-2.0	-134.14	357.80	6.61	-127.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C(C(=O)[O-])=C1	REAL300000340657	0	30	-2.0	-118.56	309.70	5.02	-113.54
CC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000340658	0	41	-2.0	-100.55	362.21	7.38	-93.17
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C12	REAL300000340660	1	39	-2.0	-122.27	350.88	5.63	-116.64
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C12	REAL300000340661	0	35	-2.0	-116.81	324.31	2.87	-113.94
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C(C(=O)[O-])=C1	REAL300000340662	0	31	-2.0	-114.78	300.50	4.41	-110.37
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000340664	0	31	-2.0	-131.86	296.33	6.01	-125.85
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(F)=C1	REAL300000340665	0	35	-2.0	-131.15	322.55	5.48	-125.67
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000340666	0	33	-2.0	-132.60	319.80	7.77	-124.83
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000340667	0	37	-2.0	-93.34	329.70	7.17	-86.17
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000340667	1	36	-3.0	-190.89	333.73	7.26	-183.63
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C(C(=O)[O-])=C1	REAL300000340668	0	37	-2.0	-134.76	327.69	5.54	-129.22
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CN1C	REAL300000340669	0	34	-2.0	-141.93	308.25	4.78	-137.15
CC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000340670	0	38	-2.0	-99.73	348.42	6.74	-92.99
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000340670	1	37	-3.0	-184.00	350.32	6.80	-177.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000340671	0	35	-2.0	-130.10	322.57	5.94	-124.16
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340672	1	40	-2.0	-131.31	361.21	7.47	-123.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=N1	REAL300000340673	0	34	-2.0	-124.39	310.64	4.46	-119.93
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340674	1	43	-2.0	-121.88	382.68	8.27	-113.61
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C(=O)NC(=O)N3C)C(C(=O)[O-])=C1	REAL300000340675	0	39	-2.0	-117.71	354.24	3.30	-114.41
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340676	1	38	-2.0	-130.29	339.62	5.61	-124.68
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C(C(=O)[O-])=C1	REAL300000340677	0	39	-2.0	-136.36	350.13	6.46	-129.90
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000340678	0	34	-2.0	-125.72	328.77	6.95	-118.77
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C(C(=O)[O-])=C1	REAL300000340679	0	31	-2.0	-127.61	316.62	5.99	-121.62
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000340680	0	41	-2.0	-107.09	360.21	7.36	-99.73
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C(C(=O)[O-])=C1	REAL300000340681	1	36	-2.0	-127.46	320.53	5.18	-122.28
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC=C1F	REAL300000340682	1	40	-2.0	-119.47	365.77	7.49	-111.98
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000340683	0	31	-2.0	-121.81	304.09	6.52	-115.29
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C2)=CO1	REAL300000340684	1	40	-2.0	-131.48	360.95	4.95	-126.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000340687	1	35	-2.0	-119.82	328.85	2.74	-117.08
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340688	1	35	-2.0	-130.84	314.07	5.19	-125.65
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000340690	0	37	-2.0	-131.15	345.21	4.15	-127.00
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000340690	1	36	-3.0	-200.72	341.93	3.02	-197.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C(F)C=C1F	REAL300000340695	0	37	-2.0	-120.00	349.36	6.63	-113.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(F)=C1	REAL300000340696	0	34	-2.0	-133.67	311.47	6.63	-127.04
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1Cl	REAL300000340697	0	35	-2.0	-120.83	343.18	6.31	-114.52
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])O1	REAL300000340699	0	34	-2.0	-121.72	324.10	4.69	-117.03
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000340700	0	36	-2.0	-146.23	324.50	6.52	-139.71
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C(C(=O)[O-])=C1	REAL300000340701	0	37	-2.0	-139.27	351.40	6.54	-132.73
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000340702	0	31	-2.0	-117.60	302.77	6.07	-111.53
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(S(C)(=O)=O)=C2C)C(C(=O)[O-])=C1	REAL300000340703	1	43	-2.0	-134.96	371.90	4.81	-130.15
CC1=C(S(=O)(=O)NC2=CC=C(C)C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000340704	0	34	-2.0	-100.99	320.11	5.88	-95.11
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000340704	1	33	-3.0	-196.10	322.71	6.33	-189.77
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1C	REAL300000340705	1	40	-2.0	-131.15	348.89	7.21	-123.94
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340706	0	35	-2.0	-128.36	327.17	5.75	-122.61
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)C(C(=O)[O-])=C1	REAL300000340707	0	33	-2.0	-118.72	315.21	5.11	-113.61
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340709	1	40	-2.0	-132.72	361.51	7.34	-125.38
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C21	REAL300000340712	1	42	-2.0	-152.84	365.07	7.01	-145.83
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340713	0	43	-2.0	-127.39	362.66	6.53	-120.86
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])SC=C1	REAL300000340714	0	31	-2.0	-126.79	292.28	5.70	-121.09
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340715	1	37	-2.0	-124.69	356.08	7.05	-117.64
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1C	REAL300000340716	0	40	-2.0	-126.64	343.99	5.83	-120.81
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1C	REAL300000340717	1	40	-2.0	-123.22	355.36	7.08	-116.14
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000340718	0	36	-2.0	-115.65	328.79	7.06	-108.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000340720	1	39	-2.0	-140.53	344.14	4.34	-136.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000340721	1	40	-2.0	-141.04	369.59	4.10	-136.94
CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)C(C(=O)[O-])=C1	REAL300000340722	1	35	-2.0	-120.99	320.85	7.05	-113.94
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC=C1F	REAL300000340723	1	38	-2.0	-138.21	345.75	4.90	-133.31
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000340724	0	36	-2.0	-123.95	336.94	7.25	-116.70
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC=C1C	REAL300000340726	1	41	-2.0	-150.47	359.18	5.70	-144.77
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C21	REAL300000340727	1	45	-2.0	-152.01	376.19	7.48	-144.53
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340728	0	35	-2.0	-129.52	322.23	6.34	-123.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)C(C(=O)[O-])=C1	REAL300000340729	1	35	-2.0	-117.86	320.80	7.04	-110.82
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C(C(=O)[O-])=C1	REAL300000340730	1	40	-2.0	-134.68	353.25	5.96	-128.72
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC=C1OC	REAL300000340731	1	41	-2.0	-125.87	366.65	6.59	-119.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000340732	0	32	-2.0	-122.75	310.84	6.34	-116.41
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C2O1	REAL300000340733	1	36	-2.0	-126.34	328.22	3.55	-122.79
CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000340734	0	37	-2.0	-124.89	329.32	4.97	-119.92
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C(C(=O)[O-])=C1	REAL300000340735	1	36	-2.0	-129.68	325.52	6.28	-123.40
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=N1	REAL300000340736	0	37	-2.0	-128.43	343.93	4.66	-123.77
CC1=CC=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C(C(=O)[O-])=C1	REAL300000340737	0	37	-2.0	-139.38	328.52	4.33	-135.05
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000340738	0	34	-2.0	-128.96	323.85	7.66	-121.30
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300000340739	0	40	-2.0	-130.45	356.79	7.27	-123.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)C(C(=O)[O-])=C1	REAL300000340741	0	35	-2.0	-124.24	341.66	7.20	-117.04
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000340742	1	31	-2.0	-110.79	303.55	6.07	-104.72
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000340743	1	42	-2.0	-125.12	367.00	7.72	-117.40
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CN1C	REAL300000340745	0	38	-2.0	-130.83	345.72	6.00	-124.83
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000340747	0	33	-3.0	-186.38	326.08	7.01	-179.37
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000340747	1	34	-2.0	-95.05	323.25	6.57	-88.48
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000340748	0	34	-2.0	-101.58	315.51	6.42	-95.16
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000340748	1	33	-3.0	-187.85	317.54	6.49	-181.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)C(C(=O)[O-])=C1	REAL300000340749	1	39	-2.0	-136.99	351.03	5.30	-131.69
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C(C(=O)[O-])=C1	REAL300000340750	0	38	-2.0	-130.38	349.52	7.16	-123.22
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000340751	0	31	-2.0	-123.97	318.75	6.25	-117.72
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)C(C(=O)[O-])=C1	REAL300000340752	1	31	-2.0	-117.63	311.57	6.56	-111.07
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340753	1	41	-2.0	-137.62	352.18	6.12	-131.50
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2)C(C(=O)[O-])=C1	REAL300000340755	1	31	-2.0	-117.16	311.57	6.56	-110.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000340756	0	35	-2.0	-124.97	341.63	6.26	-118.71
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=N1	REAL300000340757	0	42	-2.0	-132.48	372.30	6.63	-125.85
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C(C(=O)[O-])=C1	REAL300000340758	0	34	-2.0	-117.24	329.37	3.96	-113.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(=O)[O-])=C1	REAL300000340759	0	30	-3.0	-191.49	305.28	5.58	-185.91
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000340760	0	40	-2.0	-136.33	349.11	7.15	-129.18
CC1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340761	0	34	-2.0	-95.44	317.53	6.45	-88.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340761	1	33	-3.0	-195.05	319.44	6.51	-188.54
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000340762	0	36	-3.0	-201.74	338.78	7.15	-194.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000340763	1	45	-2.0	-124.98	377.37	7.95	-117.03
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300000340764	0	37	-3.0	-191.15	353.32	7.07	-184.08
COC1=CC(S(=O)(=O)NC2=CC=C(C)C=C2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300000340764	1	38	-2.0	-98.89	350.48	6.64	-92.25
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CN1	REAL300000340765	0	35	-2.0	-127.35	327.96	4.23	-123.12
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000340766	0	33	-3.0	-190.44	318.47	6.52	-183.92
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000340766	1	34	-2.0	-106.97	316.03	6.06	-100.91
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000340767	0	34	-2.0	-99.34	323.49	6.78	-92.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000340767	1	33	-3.0	-186.56	325.52	6.85	-179.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000340768	1	34	-2.0	-124.24	304.94	6.71	-117.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(Br)=C2)C(C(=O)[O-])=C1	REAL300000340769	1	34	-2.0	-125.66	324.06	7.07	-118.59
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC=C1C	REAL300000340770	1	40	-2.0	-125.35	355.40	7.07	-118.28
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CS1	REAL300000340771	0	34	-2.0	-126.27	331.84	5.56	-120.71
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC=C1F	REAL300000340772	1	37	-2.0	-119.00	343.90	6.57	-112.43
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000340773	0	33	-2.0	-124.23	308.83	4.49	-119.74
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C(C(=O)[O-])=C1	REAL300000340774	1	35	-2.0	-131.53	326.82	7.06	-124.47
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(C)C=C2C(=O)[O-])=CC=C1[O-]	REAL300000340775	1	39	-2.0	-105.83	344.71	2.76	-103.07
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C(=O)[O-])=C1	REAL300000340778	0	37	-2.0	-93.73	338.42	7.56	-86.17
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C(=O)[O-])=C1	REAL300000340778	1	36	-3.0	-192.59	342.46	7.65	-184.94
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)C(C(=O)[O-])=C1	REAL300000340779	1	37	-2.0	-121.60	338.78	7.66	-113.94
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340780	0	31	-2.0	-121.16	317.75	6.21	-114.95
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340781	1	37	-2.0	-130.21	327.45	7.32	-122.89
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C(C(=O)[O-])=C1	REAL300000340782	0	34	-2.0	-125.42	340.20	7.81	-117.61
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000340783	1	34	-2.0	-124.94	312.39	6.61	-118.33
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000340784	0	42	-2.0	-98.32	374.84	7.79	-90.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000340784	1	41	-3.0	-182.39	376.75	7.86	-174.53
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340785	0	37	-2.0	-123.45	342.45	5.35	-118.10
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C(C(=O)[O-])=C1	REAL300000340786	1	37	-2.0	-122.72	335.93	4.95	-117.77
CC1=CC=C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340787	0	34	-2.0	-109.66	322.09	6.48	-103.18
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340787	1	33	-3.0	-191.50	323.85	6.54	-184.96
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340788	0	36	-2.0	-103.68	339.49	7.05	-96.63
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340788	1	35	-3.0	-188.66	341.21	7.12	-181.54
CC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C(C(=O)[O-])=C1	REAL300000340789	0	34	-2.0	-130.17	337.91	7.76	-122.41
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340790	0	41	-2.0	-136.00	367.49	6.34	-129.66
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340791	1	43	-2.0	-129.95	371.33	7.86	-122.09
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000340793	0	34	-2.0	-124.55	316.77	6.65	-117.90
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000340794	0	37	-2.0	-137.18	336.34	8.95	-128.23
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000340795	1	37	-2.0	-138.26	325.60	8.20	-130.06
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C(C(=O)[O-])=C1	REAL300000340796	0	33	-2.0	-126.24	316.55	5.37	-120.87
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2Cl)C(C(=O)[O-])=C1	REAL300000340797	0	36	-2.0	-119.56	344.58	7.74	-111.82
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000340798	1	35	-2.0	-114.51	341.21	7.07	-107.44
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000340799	0	38	-2.0	-125.33	362.41	4.98	-120.35
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2C)C(C(=O)[O-])=C1	REAL300000340800	1	34	-2.0	-123.63	317.71	7.20	-116.43
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(=O)[O-])=C1	REAL300000340801	0	34	-3.0	-196.45	322.74	4.15	-192.30
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000340801	1	34	-3.0	-199.71	316.53	5.01	-194.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C(C(=O)[O-])=C1	REAL300000340802	1	41	-2.0	-132.91	339.86	8.52	-124.39
CC1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000340803	0	37	-2.0	-101.11	333.34	7.16	-93.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000340803	1	36	-3.0	-191.08	335.19	7.23	-183.85
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1Cl	REAL300000340804	1	38	-2.0	-127.66	354.73	5.40	-122.26
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])O1	REAL300000340805	0	37	-2.0	-122.14	345.96	5.61	-116.53
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340806	0	33	-2.0	-115.52	319.19	6.62	-108.90
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340807	0	36	-2.0	-135.18	338.89	6.86	-128.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)C(C(=O)[O-])=C1	REAL300000340808	1	43	-2.0	-127.41	375.30	7.42	-119.99
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2C)C(C(=O)[O-])=C1	REAL300000340809	1	36	-2.0	-114.40	340.29	7.72	-106.68
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C(C(=O)[O-])=C1	REAL300000340810	0	34	-2.0	-137.31	327.26	6.60	-130.71
COC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])SC=C1	REAL300000340811	0	32	-2.0	-133.90	306.73	4.18	-129.72
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340812	1	40	-2.0	-130.53	366.73	4.30	-126.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300000340813	0	37	-2.0	-130.82	341.34	6.99	-123.83
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(C(=O)[O-])=C1	REAL300000340814	0	34	-2.0	-132.19	314.32	6.28	-125.91
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)C(C(=O)[O-])=C1	REAL300000340815	0	39	-2.0	-148.27	346.07	7.12	-141.15
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300000340816	0	37	-2.0	-129.64	352.25	8.80	-120.84
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)C(C(=O)[O-])=C1	REAL300000340817	1	42	-2.0	-122.84	367.88	5.38	-117.46
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C(Br)S1	REAL300000340818	0	31	-2.0	-118.12	315.74	6.39	-111.73
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000340819	1	37	-2.0	-128.54	339.97	8.62	-119.92
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC(F)=C1F	REAL300000340820	1	37	-2.0	-113.60	350.17	6.63	-106.97
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])SC2=CC=CC(F)=C12	REAL300000340821	0	37	-2.0	-131.18	342.20	8.06	-123.12
CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000340822	1	32	-2.0	-116.55	326.68	6.90	-109.65
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000340823	0	36	-2.0	-124.52	338.58	7.26	-117.26
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340824	0	33	-2.0	-132.56	317.80	4.63	-127.93
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=NC2=C1Cl	REAL300000340826	0	36	-2.0	-116.55	345.55	5.84	-110.71
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C(C(=O)[O-])=C1	REAL300000340827	0	31	-2.0	-131.02	304.20	6.83	-124.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C(C(=O)[O-])=C1	REAL300000340828	1	33	-2.0	-119.67	332.84	5.80	-113.87
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C(C(=O)[O-])=C1	REAL300000340829	0	31	-2.0	-116.66	299.53	4.84	-111.82
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C(C(=O)[O-])=C1	REAL300000340830	0	31	-2.0	-135.75	304.90	4.71	-131.04
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC(OC)=C1	REAL300000340831	1	39	-2.0	-132.27	343.55	4.50	-127.77
CC1=CC=C(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340832	0	34	-2.0	-110.69	331.97	6.90	-103.79
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340832	1	33	-3.0	-193.61	333.73	6.98	-186.63
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C(C(=O)[O-])=C1	REAL300000340833	0	32	-2.0	-134.10	300.40	4.62	-129.48
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])S2)=CS1	REAL300000340834	0	37	-2.0	-128.01	364.01	6.45	-121.56
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C(C(=O)[O-])=C1	REAL300000340835	0	32	-2.0	-116.50	306.78	3.72	-112.78
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000340836	0	30	-2.0	-123.61	293.09	3.72	-119.89
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC=C1Cl	REAL300000340837	1	37	-2.0	-119.46	351.88	6.93	-112.53
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)C(C(=O)[O-])=C1	REAL300000340838	1	36	-2.0	-113.07	332.35	7.37	-105.70
CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000340839	0	37	-2.0	-119.61	320.06	7.06	-112.55
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000340841	1	38	-2.0	-148.86	349.17	3.76	-145.10
CC1=CC=C(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340842	0	37	-2.0	-101.45	335.94	7.04	-94.41
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000340843	0	37	-2.0	-100.89	325.66	7.18	-93.71
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000340845	0	32	-2.0	-123.46	313.85	6.57	-116.89
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C(C)N1	REAL300000340846	0	44	-2.0	-127.28	380.57	6.57	-120.71
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000340847	0	34	-2.0	-127.00	316.77	6.66	-120.34
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000340848	0	37	-2.0	-115.35	340.09	6.63	-108.72
CC1=CC=C(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340849	0	40	-2.0	-102.23	343.92	7.44	-94.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C(C(=O)[O-])=C1	REAL300000340850	1	37	-2.0	-138.63	342.30	8.71	-129.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C(F)=C2)C(C(=O)[O-])=C1	REAL300000340851	0	37	-2.0	-129.12	349.67	3.43	-125.69
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340852	0	35	-3.0	-200.49	339.60	7.55	-192.94
CC1=CC=C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340852	1	36	-2.0	-104.08	337.86	7.49	-96.59
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C(C(=O)[O-])=C1	REAL300000340853	0	34	-2.0	-125.36	329.89	7.37	-117.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000340855	0	33	-3.0	-191.24	324.76	6.57	-184.67
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340856	1	36	-2.0	-116.28	337.61	7.21	-109.07
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C(C(=O)[O-])=C1	REAL300000340857	0	30	-2.0	-123.47	303.55	5.33	-118.14
CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000340858	0	37	-2.0	-136.00	330.00	6.28	-129.72
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=N1	REAL300000340859	0	36	-2.0	-118.16	335.30	4.71	-113.45
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C(C(=O)[O-])=C1	REAL300000340860	0	30	-2.0	-114.17	309.98	5.07	-109.10
CC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000340861	0	40	-2.0	-110.66	342.91	7.40	-103.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C4=C(C=CC=C42)C(=O)N3C)C(C(=O)[O-])=C1	REAL300000340862	1	42	-2.0	-128.26	370.32	7.81	-120.45
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000340863	0	36	-3.0	-202.42	338.33	7.15	-195.27
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000340863	1	37	-2.0	-113.57	335.80	6.70	-106.87
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000340864	0	36	-3.0	-198.16	344.78	7.59	-190.57
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000340864	1	37	-2.0	-99.78	341.94	7.12	-92.66
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000340865	0	36	-3.0	-217.89	338.05	7.14	-210.75
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000340866	0	31	-2.0	-113.96	311.80	6.37	-107.59
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340867	1	39	-2.0	-139.14	347.65	7.16	-131.98
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=N1	REAL300000340868	0	38	-2.0	-122.54	344.31	3.50	-119.04
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000340869	0	36	-2.0	-134.29	334.87	6.72	-127.57
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)C(C(=O)[O-])=C1	REAL300000340870	0	31	-2.0	-120.34	307.45	6.65	-113.69
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Br)C(C(=O)[O-])=C1	REAL300000340871	0	34	-2.0	-128.14	319.24	7.16	-120.98
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000340872	0	40	-2.0	-101.24	345.46	7.58	-93.66
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C(C(=O)[O-])=C1	REAL300000340873	0	42	-2.0	-124.88	361.72	4.42	-120.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)C(C(=O)[O-])=C1	REAL300000340876	0	35	-2.0	-137.48	321.85	6.68	-130.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)C(C(=O)[O-])=C1	REAL300000340877	0	34	-2.0	-118.20	336.44	7.45	-110.75
CC1=CC=C(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)C(C(=O)[O-])=C1	REAL300000340878	0	37	-2.0	-92.24	329.54	5.94	-86.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000340879	0	40	-2.0	-128.74	357.55	7.53	-121.21
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340880	0	37	-2.0	-135.57	331.88	6.65	-128.92
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C(C(=O)[O-])=C1	REAL300000340881	0	39	-2.0	-122.85	342.60	3.63	-119.22
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000340883	0	34	-2.0	-135.42	310.37	6.60	-128.82
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=N1	REAL300000340884	1	37	-2.0	-120.74	333.60	3.51	-117.23
CC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C(C(=O)[O-])=C1	REAL300000340885	0	38	-2.0	-143.54	330.50	5.92	-137.62
COC1=CC=C(S(=O)(=O)NC2=CC=C(C)C=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000340886	0	41	-2.0	-127.47	361.59	6.52	-120.95
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340887	1	38	-2.0	-127.79	339.62	5.62	-122.17
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340888	0	36	-2.0	-127.40	323.83	2.87	-124.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000340889	0	34	-2.0	-129.56	316.42	7.03	-122.53
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C(C)O1	REAL300000340890	0	34	-2.0	-124.62	307.54	5.47	-119.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C(C(=O)[O-])=C1	REAL300000340891	0	37	-2.0	-133.95	330.81	3.55	-130.40
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C2)CC1	REAL300000340893	1	44	-2.0	-127.56	382.89	8.52	-119.04
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340894	1	40	-2.0	-123.73	367.62	7.54	-116.19
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340895	1	38	-2.0	-127.42	331.16	5.93	-121.49
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000340896	0	40	-2.0	-116.56	357.75	6.19	-110.37
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340898	0	34	-2.0	-129.11	318.20	6.30	-122.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C(C(=O)[O-])=C1	REAL300000340899	1	34	-2.0	-124.79	310.61	4.55	-120.24
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000340900	0	39	-2.0	-146.32	338.19	7.65	-138.67
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C(C(=O)[O-])=C1	REAL300000340901	0	37	-2.0	-131.70	333.83	7.90	-123.80
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000340902	1	44	-2.0	-143.33	377.99	7.22	-136.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000340903	1	37	-2.0	-117.15	353.17	3.98	-113.17
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000340904	0	33	-2.0	-112.15	317.31	6.58	-105.57
CC1=CC=C(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000340905	0	37	-2.0	-99.24	335.48	7.17	-92.07
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000340905	1	36	-3.0	-197.58	339.28	7.63	-189.95
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000340906	1	31	-2.0	-118.12	307.71	6.48	-111.64
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C(C)O1	REAL300000340907	0	37	-2.0	-119.16	342.42	5.45	-113.71
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000340908	0	30	-2.0	-117.95	296.33	4.58	-113.37
CC1=CC=C(NS(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340909	0	37	-2.0	-99.31	342.34	7.35	-91.96
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340909	1	36	-3.0	-203.23	344.25	7.41	-195.82
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])N=C1C	REAL300000340910	0	37	-2.0	-141.99	330.27	5.69	-136.30
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2Br)C(C(=O)[O-])=C1	REAL300000340911	0	34	-2.0	-127.25	322.46	7.25	-120.00
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000340912	0	34	-2.0	-128.76	319.11	7.12	-121.64
CCN1C=C(S(=O)(=O)NC2=CC=C(C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000340913	0	38	-2.0	-103.85	340.88	6.66	-97.19
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000340913	1	37	-3.0	-205.14	341.05	6.67	-198.47
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340914	0	34	-2.0	-126.07	324.44	4.63	-121.44
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340915	0	43	-2.0	-127.93	364.07	6.44	-121.49
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CN1C	REAL300000340916	0	41	-2.0	-130.35	367.59	6.91	-123.44
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000340917	1	39	-2.0	-123.91	344.24	7.83	-116.08
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000340918	0	31	-2.0	-131.99	300.61	6.69	-125.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)C(C(=O)[O-])=C1	REAL300000340919	0	33	-2.0	-126.60	314.45	5.21	-121.39
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340920	0	36	-2.0	-124.77	333.60	6.08	-118.69
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000340921	0	38	-2.0	-128.23	349.62	7.08	-121.15
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1Cl	REAL300000340922	1	35	-2.0	-124.12	339.77	7.36	-116.76
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000340923	0	33	-2.0	-123.42	314.57	4.47	-118.95
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C12	REAL300000340924	0	38	-2.0	-116.29	345.79	3.60	-112.69
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000340925	0	33	-2.0	-121.35	322.69	6.22	-115.13
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CN=C1Cl	REAL300000340927	0	34	-2.0	-116.55	325.40	3.84	-112.71
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])=CC=C21	REAL300000340928	1	40	-2.0	-123.05	360.49	6.85	-116.20
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C(C(=O)[O-])=C1	REAL300000340929	1	43	-2.0	-126.87	368.75	7.36	-119.51
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000340930	0	33	-2.0	-115.62	320.06	5.21	-110.41
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340931	1	37	-2.0	-124.21	345.76	6.61	-117.60
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)C(C(=O)[O-])=C1	REAL300000340932	1	34	-2.0	-124.80	329.92	3.12	-121.68
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340933	0	46	-2.0	-127.18	382.95	7.34	-119.84
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C(C(=O)[O-])=C1	REAL300000340935	0	32	-2.0	-118.08	318.45	6.84	-111.24
CC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C(C(=O)[O-])=C1	REAL300000340936	0	34	-2.0	-138.73	312.49	6.20	-132.53
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340937	0	36	-2.0	-123.67	334.53	4.74	-118.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C(C(=O)[O-])=C1	REAL300000340938	0	28	-2.0	-121.63	288.94	4.62	-117.01
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300000340939	0	40	-2.0	-143.63	367.79	7.30	-136.33
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300000340940	0	40	-2.0	-138.98	358.89	4.99	-133.99
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300000340941	1	39	-2.0	-122.32	346.96	7.96	-114.36
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000340942	0	31	-2.0	-123.94	305.63	6.28	-117.66
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340946	1	43	-2.0	-128.53	376.64	8.24	-120.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C(C(=O)[O-])=C1	REAL300000340947	0	31	-2.0	-118.75	319.72	7.00	-111.75
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340948	0	31	-2.0	-120.67	313.53	6.12	-114.55
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(OC)=C1	REAL300000340949	0	41	-2.0	-129.02	367.55	6.34	-122.68
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000340950	1	34	-2.0	-128.80	316.74	6.76	-122.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C(C(=O)[O-])=C1	REAL300000340951	0	34	-2.0	-122.95	328.80	6.95	-116.00
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(Br)=C2)C(C(=O)[O-])=C1	REAL300000340952	1	34	-2.0	-125.10	327.27	7.16	-117.94
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000340953	0	34	-2.0	-122.87	322.48	4.78	-118.09
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340954	1	35	-2.0	-133.61	320.64	6.96	-126.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C(C(=O)[O-])=C1	REAL300000340955	1	34	-2.0	-126.73	329.93	3.12	-123.61
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000340957	0	39	-2.0	-122.86	353.99	7.17	-115.69
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(C)=CS1	REAL300000340958	0	37	-2.0	-137.87	339.81	7.09	-130.78
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC=C1F	REAL300000340959	1	35	-2.0	-119.93	320.30	5.26	-114.67
CC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C(C(=O)[O-])=C1	REAL300000340960	0	30	-2.0	-134.24	297.25	6.29	-127.95
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C(C(=O)[O-])=C1	REAL300000340961	1	36	-2.0	-122.08	328.93	5.02	-117.06
CC1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340962	0	30	-2.0	-116.47	305.73	5.66	-110.81
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000340964	1	39	-2.0	-128.29	351.73	4.11	-124.18
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000340965	1	34	-2.0	-117.54	340.03	7.40	-110.14
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000340966	1	37	-2.0	-115.17	348.04	6.72	-108.45
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C(C(=O)[O-])=C1	REAL300000340967	0	35	-2.0	-133.26	312.68	5.33	-127.93
CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000340968	0	32	-2.0	-120.57	318.48	6.84	-113.73
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000340969	0	34	-2.0	-122.37	328.51	4.96	-117.41
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340970	1	37	-2.0	-121.93	310.32	7.41	-114.52
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2C)C(C(=O)[O-])=C1	REAL300000340972	1	34	-2.0	-120.18	321.34	7.28	-112.90
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C(C(=O)[O-])=C1	REAL300000340973	0	35	-2.0	-143.35	322.96	5.97	-137.38
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340974	0	44	-2.0	-127.05	374.75	7.35	-119.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)C(C(=O)[O-])=C1	REAL300000340975	0	31	-2.0	-125.02	311.35	6.58	-118.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)C(C(=O)[O-])=C1	REAL300000340976	0	39	-2.0	-146.59	342.44	7.07	-139.52
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000340978	1	35	-2.0	-130.98	335.82	3.18	-127.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000340979	0	32	-2.0	-135.26	309.33	4.20	-131.06
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000340980	0	34	-2.0	-124.61	309.15	3.36	-121.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)C(C(=O)[O-])=C1	REAL300000340981	0	31	-2.0	-129.97	310.64	6.56	-123.41
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1OC	REAL300000340982	1	41	-2.0	-123.64	366.65	6.60	-117.04
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340984	0	41	-2.0	-143.36	373.50	3.20	-140.16
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000340986	0	37	-2.0	-121.55	331.06	7.00	-114.55
CC1=CC=C(NS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340987	0	37	-2.0	-112.36	345.17	7.46	-104.90
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340987	1	36	-3.0	-199.95	346.79	7.52	-192.43
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000340988	1	41	-2.0	-128.94	354.42	5.68	-123.26
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)C(C(=O)[O-])=C1	REAL300000340989	0	37	-2.0	-134.13	345.77	7.44	-126.69
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000340991	0	34	-2.0	-131.21	329.51	3.38	-127.83
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000340991	1	33	-3.0	-200.02	326.22	2.25	-197.77
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1F	REAL300000340992	1	38	-2.0	-127.05	345.73	4.91	-122.14
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1OC	REAL300000340993	0	39	-2.0	-124.38	356.37	5.66	-118.72
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000340994	1	35	-2.0	-123.07	330.03	5.53	-117.54
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000340995	1	34	-2.0	-115.65	328.89	6.95	-108.70
CC1=CC=C(NS(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340996	0	43	-2.0	-126.67	364.01	8.10	-118.57
CC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000340996	1	42	-3.0	-195.73	359.25	8.47	-187.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C(C(=O)[O-])=C1	REAL300000340997	0	36	-2.0	-125.66	341.35	1.50	-124.16
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C(C(=O)[O-])=C1	REAL300000340998	1	35	-2.0	-131.45	309.21	7.21	-124.24
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1C	REAL300000340999	1	42	-2.0	-126.36	375.92	2.97	-123.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C(C(=O)[O-])=C1	REAL300000341000	1	35	-2.0	-130.93	326.82	7.04	-123.89
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C(C(=O)[O-])=C1	REAL300000341001	0	31	-2.0	-120.06	314.42	6.96	-113.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(N)=NO1	REAL300000341003	0	32	-2.0	-117.33	292.09	3.25	-114.08
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-])OCC(=O)N2	REAL300000341004	0	41	-2.0	-130.01	363.52	2.91	-127.10
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341005	0	35	-2.0	-129.91	329.55	6.20	-123.71
CC1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000341006	0	32	-2.0	-121.60	312.06	4.66	-116.94
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341009	1	38	-2.0	-129.05	329.52	5.96	-123.09
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Br)=C2)C(C(=O)[O-])=C1	REAL300000341010	1	32	-2.0	-115.29	325.06	6.79	-108.50
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000341012	0	33	-2.0	-117.48	334.43	7.12	-110.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C(C(=O)[O-])=C1	REAL300000341013	0	29	-2.0	-116.38	297.08	5.44	-110.94
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000341014	0	33	-2.0	-113.62	330.72	7.00	-106.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2)C(C(=O)[O-])=C1	REAL300000341015	0	33	-2.0	-125.07	301.16	4.73	-120.34
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C(C(=O)[O-])=C1	REAL300000341016	0	36	-2.0	-129.16	325.75	6.26	-122.90
COC1=CC(Cl)=C(S(=O)(=O)NC2=CC=C(C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000341017	0	38	-2.0	-104.04	350.50	6.65	-97.39
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000341017	1	37	-3.0	-201.24	353.33	7.08	-194.16
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(F)=C1	REAL300000341018	0	37	-2.0	-127.31	344.79	6.62	-120.69
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1F	REAL300000341019	0	37	-2.0	-120.73	343.88	6.58	-114.15
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341020	0	39	-2.0	-135.14	360.70	7.73	-127.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)C(C(=O)[O-])=C1	REAL300000341021	1	35	-2.0	-118.81	324.54	6.78	-112.03
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000341022	0	30	-2.0	-111.82	302.29	4.57	-107.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(F)=C1	REAL300000341023	0	35	-2.0	-130.80	319.53	5.25	-125.55
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000341024	1	37	-2.0	-127.07	345.55	7.67	-119.40
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000341026	1	34	-2.0	-125.86	318.73	6.82	-119.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C(C(=O)[O-])=C1	REAL300000341027	1	41	-2.0	-134.77	358.77	9.30	-125.47
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])N(C)N=C1	REAL300000341029	0	34	-2.0	-120.73	301.44	4.36	-116.37
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341030	0	40	-2.0	-131.73	366.67	7.52	-124.21
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CN1C	REAL300000341031	0	43	-2.0	-127.70	386.57	7.10	-120.60
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C(C(=O)[O-])=C1	REAL300000341033	0	29	-2.0	-118.18	288.49	4.43	-113.75
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C(F)C=C1C	REAL300000341034	0	43	-2.0	-127.71	382.70	8.07	-119.64
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341035	1	45	-2.0	-139.44	396.11	4.09	-135.35
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341036	0	42	-2.0	-136.47	367.89	5.40	-131.07
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000341037	0	37	-2.0	-103.31	328.17	6.99	-96.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=N1	REAL300000341038	1	34	-2.0	-120.57	311.74	2.58	-117.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C(C(=O)[O-])=C1	REAL300000341039	0	31	-2.0	-126.99	306.78	6.47	-120.52
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341041	1	42	-2.0	-123.50	362.69	7.01	-116.49
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341042	0	40	-2.0	-128.89	362.09	8.66	-120.23
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000341043	0	40	-2.0	-128.88	357.92	8.37	-120.51
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000341044	0	34	-2.0	-123.18	325.87	7.76	-115.42
CC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000341045	0	34	-2.0	-130.78	321.11	7.24	-123.54
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341046	1	43	-2.0	-133.56	383.38	8.25	-125.31
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341047	0	44	-2.0	-135.44	389.36	7.26	-128.18
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC=C1C	REAL300000341048	1	43	-2.0	-125.97	377.26	8.00	-117.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C(C(=O)[O-])=C1	REAL300000341049	0	42	-2.0	-142.74	362.28	7.11	-135.63
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)C(C(=O)[O-])=C1	REAL300000341050	1	35	-2.0	-113.98	341.24	7.07	-106.91
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000341051	0	34	-2.0	-132.54	311.16	4.52	-128.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2C#N)C(C(=O)[O-])=C1	REAL300000341052	0	32	-2.0	-131.69	322.34	6.68	-125.01
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)C(C(=O)[O-])=C1	REAL300000341053	1	37	-2.0	-118.23	339.11	7.67	-110.56
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341054	1	38	-2.0	-131.29	335.91	6.11	-125.18
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000341055	0	31	-2.0	-127.77	306.89	6.75	-121.02
CC1=CC=C2C=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=CC2=C1	REAL300000341057	1	40	-2.0	-132.66	351.86	8.82	-123.84
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C(C(=O)[O-])=C1	REAL300000341058	0	28	-2.0	-123.12	292.54	5.34	-117.78
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341059	1	40	-2.0	-122.33	368.78	7.74	-114.59
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341060	0	31	-2.0	-126.43	298.14	5.55	-120.88
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000341061	1	44	-2.0	-132.11	380.54	6.24	-125.87
CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C(C(=O)[O-])=C1	REAL300000341062	0	28	-2.0	-121.81	282.84	2.70	-119.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C(C(=O)[O-])=C1	REAL300000341063	0	36	-2.0	-136.34	339.07	6.95	-129.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C(C(=O)[O-])=C1	REAL300000341064	0	30	-2.0	-122.40	291.48	4.00	-118.40
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341065	1	38	-2.0	-123.68	352.79	6.19	-117.49
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)C(C(=O)[O-])=C1	REAL300000341066	0	40	-2.0	-122.65	349.10	4.95	-117.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000341067	1	40	-2.0	-121.64	353.73	4.44	-117.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000341068	0	38	-3.0	-194.52	356.27	8.65	-185.87
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(C(=O)[O-])=C1	REAL300000341071	0	34	-2.0	-125.13	320.74	6.35	-118.78
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C(C(=O)[O-])=C1	REAL300000341072	0	34	-2.0	-130.21	337.07	7.89	-122.32
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341073	0	30	-2.0	-119.68	293.04	4.18	-115.50
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000341074	0	33	-2.0	-122.77	328.23	7.88	-114.89
CC1=CC=C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000341076	0	35	-2.0	-104.69	326.90	5.44	-99.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C(C(=O)[O-])=C1	REAL300000341076	1	35	-2.0	-119.75	333.06	4.59	-115.16
CC1=CC=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000341077	0	37	-2.0	-121.32	338.04	7.19	-114.13
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)C(C(=O)[O-])=C1	REAL300000341078	0	33	-2.0	-117.10	333.35	5.69	-111.41
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341081	1	40	-2.0	-124.29	377.94	7.98	-116.31
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C(C(=O)[O-])=C1	REAL300000341082	0	28	-2.0	-125.03	282.84	4.93	-120.10
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)=CC3=C2)C(C(=O)[O-])=C1	REAL300000341083	1	40	-2.0	-122.78	355.62	5.63	-117.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C(C(=O)[O-])=C1	REAL300000341084	0	37	-2.0	-141.22	345.38	4.31	-136.91
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000341085	0	34	-2.0	-126.32	324.54	4.74	-121.58
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C(C(=O)[O-])=C1	REAL300000341086	1	40	-2.0	-128.68	349.38	7.48	-121.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C(C(=O)[O-])=C1	REAL300000341087	1	32	-2.0	-115.10	311.27	6.32	-108.78
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C([N+](=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000341091	0	36	-2.0	-119.41	334.26	7.14	-112.27
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C(=O)[O-])=C1	REAL300000341092	0	37	-2.0	-102.97	329.02	6.83	-96.14
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C(C(=O)[O-])=C1	REAL300000341093	0	32	-2.0	-126.38	317.44	5.18	-121.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000341094	0	35	-3.0	-219.77	336.76	8.30	-211.47
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C(C(=O)[O-])=C1	REAL300000341095	0	35	-2.0	-128.74	335.84	5.75	-122.99
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(C)=C(Cl)N=C3C=C2)C(C(=O)[O-])=C1	REAL300000341096	1	39	-2.0	-123.93	361.05	7.27	-116.66
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C(F)C=C1C	REAL300000341098	0	40	-2.0	-127.39	360.84	7.15	-120.24
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C(C(=O)[O-])=C1	REAL300000341099	0	31	-2.0	-117.53	317.14	6.08	-111.45
CC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000341100	0	36	-2.0	-132.68	321.55	2.80	-129.88
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000341101	0	34	-2.0	-130.00	316.00	6.42	-123.58
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CN=C1C	REAL300000341102	0	39	-2.0	-119.42	350.80	5.23	-114.19
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000341103	0	32	-2.0	-115.14	307.95	4.74	-110.40
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000341104	1	43	-2.0	-132.27	388.22	5.11	-127.16
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)C(C(=O)[O-])=C1	REAL300000341105	0	33	-2.0	-117.18	312.12	5.27	-111.91
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C(Br)N1C	REAL300000341106	0	34	-2.0	-139.28	326.32	5.27	-134.01
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)C(C(=O)[O-])=C1	REAL300000341107	1	37	-2.0	-120.13	338.98	7.40	-112.73
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341108	1	40	-2.0	-133.70	361.51	7.33	-126.37
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C(C(=O)[O-])=C1	REAL300000341109	1	33	-2.0	-116.22	324.32	5.77	-110.45
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=NN1C	REAL300000341113	0	34	-2.0	-123.22	305.22	4.12	-119.10
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000341114	1	35	-2.0	-129.20	315.64	6.98	-122.22
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341115	1	44	-2.0	-140.69	376.71	6.73	-133.96
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341116	0	34	-2.0	-125.38	307.94	4.25	-121.13
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341117	1	38	-2.0	-127.26	356.37	6.12	-121.14
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000341118	0	31	-2.0	-116.08	300.41	4.49	-111.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)OC(C)C)=C2)C(C(=O)[O-])=C1	REAL300000341119	1	46	-2.0	-126.79	397.50	8.71	-118.08
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C(C(=O)[O-])=C1	REAL300000341121	1	36	-2.0	-124.44	330.99	3.09	-121.35
CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000341122	0	31	-2.0	-123.02	300.23	3.42	-119.60
CC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000341123	0	37	-2.0	-124.92	335.20	5.62	-119.30
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341124	1	44	-2.0	-127.31	394.42	6.25	-121.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(N(C)C)C=CC=C23)C(C(=O)[O-])=C1	REAL300000341125	1	45	-2.0	-134.34	379.03	8.05	-126.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C(C(=O)[O-])=C1	REAL300000341127	1	33	-2.0	-124.98	332.74	5.81	-119.17
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1Cl	REAL300000341128	0	39	-2.0	-129.29	358.33	5.54	-123.75
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C(C(=O)[O-])=C1	REAL300000341129	0	39	-2.0	-117.28	355.70	4.46	-112.82
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341131	1	44	-2.0	-128.14	380.83	7.17	-120.97
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC=C1Cl	REAL300000341132	1	35	-2.0	-120.93	330.10	5.75	-115.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C(C(=O)[O-])=C1	REAL300000341133	0	35	-2.0	-135.69	336.14	2.53	-133.16
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000341134	0	33	-3.0	-216.36	316.66	6.47	-209.89
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C(C(=O)[O-])=C1	REAL300000341135	0	28	-2.0	-130.67	283.92	3.89	-126.78
CC1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C(C(=O)[O-])=C1	REAL300000341136	0	33	-2.0	-139.76	315.76	5.31	-134.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C(C(=O)[O-])=C1	REAL300000341137	1	36	-2.0	-131.33	320.36	5.73	-125.60
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000341139	0	37	-2.0	-139.29	335.06	8.19	-131.10
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C(C(=O)[O-])=C1	REAL300000341140	0	34	-2.0	-132.80	324.70	4.96	-127.84
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000341141	0	34	-2.0	-128.48	311.68	7.40	-121.08
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000341142	0	35	-2.0	-123.80	328.98	6.01	-117.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C(C(=O)[O-])=C1	REAL300000341143	0	36	-2.0	-139.08	320.81	5.71	-133.37
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1F	REAL300000341144	1	40	-2.0	-129.00	366.97	7.38	-121.62
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300000341145	0	40	-2.0	-131.33	354.46	8.92	-122.41
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000341146	0	35	-2.0	-124.25	339.30	6.46	-117.79
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000341152	0	34	-2.0	-135.51	314.47	6.84	-128.67
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C(C(=O)[O-])=C1	REAL300000341154	0	30	-2.0	-118.00	309.60	5.09	-112.91
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000341155	0	31	-2.0	-118.90	308.12	4.03	-114.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C(C(=O)[O-])=C1	REAL300000341156	1	36	-2.0	-126.72	328.41	4.34	-122.38
CC1=CC=C(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000341158	0	37	-2.0	-110.88	336.39	7.06	-103.82
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000341158	1	36	-3.0	-197.61	337.98	7.12	-190.49
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341160	0	35	-2.0	-129.88	319.22	5.74	-124.14
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C(C(=O)[O-])=C1	REAL300000341161	1	34	-2.0	-116.28	324.15	4.99	-111.29
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000341162	1	39	-2.0	-125.89	347.01	7.73	-118.16
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341163	0	47	-2.0	-137.60	388.98	8.00	-129.60
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1Cl	REAL300000341165	0	34	-2.0	-117.03	327.81	3.12	-113.91
CC1=CC=C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000341166	1	35	-2.0	-122.94	334.63	4.05	-118.89
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C(C(=O)[O-])=C1	REAL300000341167	1	34	-2.0	-122.31	320.02	6.99	-115.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000341168	1	37	-2.0	-138.05	332.68	6.87	-131.18
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C2)=N1	REAL300000341169	1	40	-2.0	-126.95	370.79	7.36	-119.59
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341170	0	40	-2.0	-133.79	365.12	7.24	-126.55
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000341171	0	33	-2.0	-134.83	319.14	7.08	-127.75
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000341173	0	33	-2.0	-114.68	322.06	5.87	-108.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C(C(=O)[O-])=C1	REAL300000341174	1	34	-2.0	-120.65	326.57	4.08	-116.57
CC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C(C(=O)[O-])=C1	REAL300000341175	0	30	-2.0	-131.31	285.06	4.07	-127.24
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C(C(=O)[O-])=C1	REAL300000341178	0	30	-2.0	-116.03	285.97	4.04	-111.99
CC1=CC=C([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)C(C(=O)[O-])=C1	REAL300000341180	0	33	-2.0	-126.31	335.15	5.86	-120.45
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C(C(=O)[O-])=C1	REAL300000341181	0	29	-2.0	-130.49	294.93	5.28	-125.21
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000341184	1	31	-2.0	-117.57	307.16	6.46	-111.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C(C(=O)[O-])=C1	REAL300000341185	0	40	-2.0	-138.28	346.25	6.24	-132.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C(C(=O)[O-])=C1	REAL300000341186	1	38	-2.0	-131.79	349.67	3.75	-128.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C(C(=O)[O-])=C1	REAL300000341187	0	39	-2.0	-138.63	336.74	7.10	-131.53
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341188	0	41	-2.0	-128.73	357.49	4.79	-123.94
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(F)=C1	REAL300000341189	0	40	-2.0	-126.70	366.66	7.54	-119.16
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])S2)C1	REAL300000341194	0	42	-2.0	-127.14	375.79	6.41	-120.73
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000341195	1	46	-2.0	-131.39	394.44	8.23	-123.16
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000341197	1	38	-2.0	-139.29	340.50	3.33	-135.96
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C(C(=O)[O-])=C1	REAL300000341200	1	43	-2.0	-127.44	368.63	7.34	-120.10
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])=C2)=N1	REAL300000341201	1	43	-2.0	-128.71	377.62	5.79	-122.92
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1C	REAL300000341202	1	42	-2.0	-132.09	369.29	4.98	-127.11
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000341203	0	36	-2.0	-110.70	340.30	7.73	-102.97
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1Cl	REAL300000341204	1	39	-2.0	-124.56	366.47	4.79	-119.77
CC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C(C(=O)[O-])=C1	REAL300000341207	0	38	-2.0	-137.36	351.03	7.69	-129.67
COC(=O)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=CC=C12	REAL300000341208	1	43	-2.0	-129.21	375.68	8.71	-120.50
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])N1C	REAL300000341209	0	34	-2.0	-125.23	303.71	4.94	-120.29
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1F	REAL300000341210	0	37	-2.0	-130.12	349.38	6.63	-123.49
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341211	1	44	-2.0	-129.35	374.60	7.56	-121.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000341214	0	44	-2.0	-128.11	386.99	8.22	-119.89
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000341215	0	36	-2.0	-131.93	329.80	7.98	-123.95
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CN1CC1CC1	REAL300000341216	0	44	-2.0	-143.38	383.43	7.84	-135.54
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])O1	REAL300000341217	0	37	-2.0	-123.01	342.00	5.27	-117.74
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C2C1	REAL300000341218	1	42	-2.0	-133.79	367.99	6.35	-127.44
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000341219	0	34	-2.0	-124.95	324.31	5.39	-119.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000341221	1	39	-2.0	-124.30	348.23	8.23	-116.07
CC1=CC=C(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000341222	0	40	-2.0	-107.42	351.87	8.51	-98.91
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000341222	1	39	-3.0	-217.29	354.06	8.57	-208.72
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C(C(=O)[O-])=C1	REAL300000341223	0	34	-2.0	-112.99	325.15	4.56	-108.43
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C(C(=O)[O-])=C1	REAL300000341224	1	42	-2.0	-130.16	385.20	9.99	-120.17
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C(C(=O)[O-])=C1	REAL300000341225	0	30	-2.0	-123.49	301.93	4.49	-119.00
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C(C(=O)[O-])=C1	REAL300000341226	1	41	-2.0	-142.27	350.66	9.29	-132.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000341228	0	34	-2.0	-132.32	316.68	6.67	-125.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C(C(=O)[O-])=C1	REAL300000341229	0	30	-2.0	-123.89	306.53	4.57	-119.32
CC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000341231	0	33	-2.0	-139.96	311.65	4.87	-135.09
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(C)=N1	REAL300000341232	0	43	-2.0	-125.18	372.47	6.66	-118.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C(OC)C=C1F	REAL300000341233	0	41	-2.0	-123.81	372.02	6.36	-117.45
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(=O)[O-])=C1	REAL300000341235	0	32	-3.0	-204.01	309.23	4.57	-199.44
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341236	0	35	-2.0	-121.84	313.43	5.86	-115.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C(C(=O)[O-])=C1	REAL300000341238	1	43	-2.0	-125.54	362.79	8.16	-117.38
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000341239	1	32	-2.0	-116.52	311.82	6.35	-110.17
CC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000341241	0	34	-2.0	-120.30	317.70	4.52	-115.78
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C(C(=O)[O-])=C1	REAL300000341242	0	33	-2.0	-139.74	307.72	5.07	-134.67
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C(C(=O)[O-])=C1	REAL300000341242	1	33	-2.0	-126.21	307.83	4.94	-121.27
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000341243	0	35	-2.0	-137.32	318.30	5.85	-131.47
CC1=CC=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000341244	0	41	-2.0	-126.14	345.55	6.01	-120.13
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000341245	0	43	-2.0	-122.57	349.97	6.42	-116.15
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000341247	0	41	-2.0	-126.21	351.96	6.24	-119.97
CC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C(C(=O)[O-])=C1	REAL300000341248	0	34	-2.0	-117.91	318.87	4.79	-113.12
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2Br)C(C(=O)[O-])=C1	REAL300000341249	0	31	-2.0	-124.25	309.80	4.09	-120.16
CC1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000341253	0	32	-2.0	-106.15	294.56	4.50	-101.65
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C(C(=O)[O-])=C1	REAL300000341253	1	32	-2.0	-120.78	300.74	3.65	-117.13
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341255	0	37	-2.0	-122.21	323.74	4.95	-117.26
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1F	REAL300000341256	1	36	-2.0	-126.05	329.58	6.36	-119.69
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C(C(=O)[O-])=C1	REAL300000341257	0	31	-2.0	-119.07	289.77	3.24	-115.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(C#N)=C1	REAL300000341258	0	35	-2.0	-134.72	324.06	6.84	-127.88
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000341259	0	35	-2.0	-133.40	316.29	7.12	-126.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000341260	1	34	-2.0	-121.27	321.24	6.79	-114.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C(C(=O)[O-])=C1	REAL300000341264	1	38	-2.0	-130.73	348.31	7.85	-122.88
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341266	0	31	-2.0	-116.65	303.80	1.69	-114.96
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341267	0	45	-2.0	-143.85	383.04	5.51	-138.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341271	0	37	-3.0	-194.44	341.22	6.25	-188.19
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C)C=C1C(=O)[O-]	REAL300000341271	1	38	-2.0	-98.99	338.54	5.74	-93.25
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000341272	0	35	-2.0	-122.59	324.09	1.50	-121.09
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341273	1	40	-2.0	-121.53	331.75	8.20	-113.33
CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000341274	0	31	-2.0	-130.57	298.93	6.01	-124.56
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000341276	0	30	-3.0	-187.33	313.16	5.43	-181.90
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341277	0	47	-2.0	-126.90	398.08	8.68	-118.22
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C(C(=O)[O-])=C1	REAL300000341278	1	36	-2.0	-138.75	320.80	6.40	-132.35
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341279	0	38	-2.0	-128.89	345.98	6.08	-122.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C(C(=O)[O-])=C1	REAL300000341280	0	32	-2.0	-130.52	310.40	6.31	-124.21
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341281	0	34	-2.0	-117.78	339.12	5.17	-112.61
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC(C)(C)C3=C2)C(C(=O)[O-])=C1	REAL300000341282	1	45	-2.0	-125.47	380.10	5.96	-119.51
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C21	REAL300000341283	1	45	-2.0	-153.17	385.39	7.82	-145.35
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000341284	0	38	-2.0	-125.75	334.46	5.56	-120.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C(C(=O)[O-])=C1	REAL300000341285	0	38	-2.0	-123.32	331.45	5.77	-117.55
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C(C(=O)[O-])=C1	REAL300000341286	0	41	-2.0	-124.57	353.76	6.51	-118.06
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000341287	0	43	-2.0	-129.06	375.36	8.72	-120.34
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341288	0	44	-2.0	-137.69	389.35	7.26	-130.43
CC1=CC=C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C(=O)[O-])=C1	REAL300000341289	0	32	-2.0	-102.57	320.79	5.47	-97.10
CC1=CC=C([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000341290	0	36	-2.0	-129.08	336.56	4.86	-124.22
CC1=CC=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C(C(=O)[O-])=C1	REAL300000341291	0	42	-2.0	-133.30	359.60	3.89	-129.41
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C(C(=O)[O-])=C1	REAL300000341292	0	37	-2.0	-128.04	351.40	6.79	-121.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C(C(=O)[O-])=C1	REAL300000341293	1	37	-2.0	-124.87	335.28	3.12	-121.75
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C(C(=O)[O-])=C1	REAL300000341294	0	28	-2.0	-124.63	285.22	4.62	-120.01
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1F	REAL300000341295	1	35	-2.0	-116.63	330.43	5.44	-111.19
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C(C(=O)[O-])=C1	REAL300000341296	0	38	-2.0	-131.49	328.94	5.91	-125.58
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1F	REAL300000341297	0	35	-2.0	-124.41	325.76	5.33	-119.08
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C(C(=O)[O-])=C1	REAL300000341299	0	41	-2.0	-133.22	358.99	7.28	-125.94
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341300	1	34	-2.0	-124.49	309.29	6.56	-117.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C(C(=O)[O-])=C1	REAL300000341301	0	39	-2.0	-140.92	341.98	6.48	-134.44
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000341302	0	39	-2.0	-125.35	353.23	5.55	-119.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C(C(=O)[O-])=C1	REAL300000341303	1	39	-2.0	-131.29	352.83	8.09	-123.20
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341304	0	35	-2.0	-131.55	321.02	6.55	-125.00
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C(C(=O)[O-])=C1	REAL300000341305	0	37	-2.0	-133.90	338.26	6.51	-127.39
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C21	REAL300000341306	1	45	-2.0	-151.72	383.99	7.50	-144.22
CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C(C(=O)[O-])=C1	REAL300000341307	0	28	-2.0	-123.53	289.99	5.33	-118.20
CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=NN2C)C(C(=O)[O-])=C1	REAL300000341308	0	31	-2.0	-115.00	305.50	4.07	-110.93
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000341309	0	33	-2.0	-116.73	318.46	5.05	-111.68
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341310	0	36	-2.0	-143.53	325.24	5.50	-138.03
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341311	0	33	-2.0	-115.95	300.75	3.18	-112.77
CC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C(C(=O)[O-])=C1	REAL300000341313	1	32	-2.0	-115.40	299.44	4.68	-110.72
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C(C(=O)[O-])=C1	REAL300000341314	0	34	-2.0	-131.35	323.39	7.32	-124.03
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C(C(=O)[O-])=C1	REAL300000341315	0	34	-2.0	-142.48	329.46	5.59	-136.89
CC1=CC=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C(C(=O)[O-])=C1	REAL300000341316	0	38	-2.0	-122.16	336.50	5.60	-116.56
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1OC	REAL300000341318	0	39	-2.0	-127.75	336.41	5.64	-122.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(C#N)=C2)C(C(=O)[O-])=C1	REAL300000341320	1	32	-2.0	-115.69	325.07	6.79	-108.90
CC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000341321	0	34	-2.0	-131.72	314.33	6.17	-125.55
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1OC	REAL300000341322	0	39	-2.0	-137.85	344.04	6.22	-131.63
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C(C(=O)[O-])=C1	REAL300000341323	0	44	-2.0	-131.25	373.30	6.79	-124.46
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000341324	0	35	-2.0	-132.04	335.45	7.83	-124.21
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C(C(=O)[O-])=C1	REAL300000341325	0	38	-2.0	-128.10	339.85	5.82	-122.28
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000341327	0	34	-2.0	-136.70	313.99	5.10	-131.60
CC1=CC=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C(C(=O)[O-])=C1	REAL300000341328	0	36	-2.0	-148.13	329.10	4.28	-143.85
CC1=CC=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000341330	0	38	-2.0	-128.12	325.23	7.85	-120.27
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)C(C(=O)[O-])=C1	REAL300000341331	1	35	-2.0	-127.44	312.56	3.59	-123.85
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341332	0	31	-2.0	-124.77	301.85	1.75	-123.02
CC1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C(C(=O)[O-])=C1	REAL300000341335	1	34	-2.0	-125.28	318.28	6.27	-119.01
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000341336	0	41	-2.0	-130.02	356.09	6.30	-123.72
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)C(C(=O)[O-])=C1	REAL300000341337	1	49	-2.0	-131.30	398.13	9.79	-121.51
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C(C(=O)[O-])=C1	REAL300000341338	0	28	-2.0	-123.01	290.39	5.43	-117.58
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000341339	0	41	-2.0	-126.52	358.55	6.53	-119.99
CC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C(C(=O)[O-])=C1	REAL300000341340	0	35	-2.0	-132.25	322.68	7.01	-125.24
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C(C(=O)[O-])=C1	REAL300000341341	0	42	-2.0	-133.65	383.07	8.71	-124.94
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)C(C(=O)[O-])=C1	REAL300000341342	1	44	-2.0	-137.22	374.37	4.29	-132.93
COC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000341343	0	40	-2.0	-155.55	350.01	7.09	-148.46
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341344	1	40	-2.0	-131.01	348.96	8.10	-122.91
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341345	0	37	-2.0	-118.72	339.84	4.29	-114.43
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000341346	0	32	-2.0	-128.47	309.03	6.25	-122.22
CC1=CC=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000341347	0	38	-2.0	-126.87	330.25	5.42	-121.45
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000341348	0	35	-2.0	-112.38	341.00	7.23	-105.15
COC(=O)C1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C2C=C1	REAL300000341350	1	43	-2.0	-127.75	385.24	8.81	-118.94
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000341352	0	40	-2.0	-119.59	331.55	5.80	-113.79
CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000341353	0	40	-2.0	-126.23	349.07	5.61	-120.62
CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000341354	0	38	-2.0	-126.23	333.07	5.00	-121.23
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)C(C(=O)[O-])=C1	REAL300000341355	0	36	-2.0	-116.81	335.48	5.70	-111.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000341356	0	42	-2.0	-125.78	358.83	6.70	-119.08
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000341357	0	33	-2.0	-108.84	323.59	6.64	-102.20
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000341358	1	34	-2.0	-117.16	329.71	6.95	-110.21
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C(C(=O)[O-])=C1	REAL300000341359	1	34	-2.0	-126.83	312.54	6.71	-120.12
CC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C(C(=O)[O-])=C1	REAL300000341360	0	31	-2.0	-124.28	306.13	6.26	-118.02
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000341361	0	31	-2.0	-117.74	316.30	5.99	-111.75
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341362	0	34	-2.0	-120.65	305.72	4.16	-116.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000341364	1	34	-2.0	-115.88	336.47	7.31	-108.57
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000341366	1	34	-2.0	-134.57	304.20	7.16	-127.41
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341367	1	42	-2.0	-138.47	369.15	7.92	-130.55
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)C(C(=O)[O-])=C1	REAL300000341369	1	41	-2.0	-131.04	364.80	7.58	-123.46
CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000341371	0	36	-2.0	-122.03	343.37	6.36	-115.67
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000341372	1	40	-2.0	-128.26	362.99	7.54	-120.72
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C(C(=O)[O-])=C1	REAL300000341373	0	32	-2.0	-125.50	317.21	6.73	-118.77
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)C(C(=O)[O-])=C1	REAL300000341374	0	40	-2.0	-136.27	358.71	5.85	-130.42
CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000341375	0	31	-2.0	-125.14	304.14	6.12	-119.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C(C(=O)[O-])=C1	REAL300000341376	1	38	-2.0	-130.51	333.79	8.00	-122.51
COC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=CS1	REAL300000341377	0	32	-2.0	-131.03	306.82	4.33	-126.70
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000341378	0	34	-2.0	-122.80	315.55	7.31	-115.49
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341379	0	37	-2.0	-122.54	349.53	6.19	-116.35
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C(C(=O)[O-])=C1	REAL300000341380	0	38	-2.0	-133.33	339.26	8.06	-125.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C(C(=O)[O-])=C1	REAL300000341381	0	41	-2.0	-124.27	349.38	6.49	-117.78
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341382	0	40	-2.0	-123.58	344.51	5.78	-117.80
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000341383	1	40	-2.0	-133.38	355.77	3.40	-129.98
CC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)C(C(=O)[O-])=C1	REAL300000341385	0	34	-2.0	-136.15	338.51	2.39	-133.76
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C(C(=O)[O-])=C1	REAL300000341386	0	36	-2.0	-139.20	328.16	4.25	-134.95
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])O1	REAL300000341387	0	34	-2.0	-128.16	310.64	5.50	-122.66
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C(C(=O)[O-])=C1	REAL300000341388	0	31	-2.0	-119.58	308.41	5.12	-114.46
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341389	0	35	-2.0	-121.34	325.51	5.80	-115.54
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)C(C(=O)[O-])=C1	REAL300000341390	0	45	-2.0	-127.37	382.90	5.03	-122.34
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000341391	1	37	-2.0	-125.57	337.79	7.41	-118.16
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C(C(=O)[O-])=C1	REAL300000341392	1	35	-2.0	-127.66	323.82	5.47	-122.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000341394	0	32	-2.0	-124.07	308.34	4.34	-119.73
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000341395	0	42	-2.0	-147.43	356.00	8.18	-139.25
CC1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C(C(=O)[O-])=C1	REAL300000341397	0	34	-2.0	-121.44	317.23	4.59	-116.85
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341398	1	41	-2.0	-130.44	361.48	6.58	-123.86
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)C(C(=O)[O-])=C1	REAL300000341399	0	34	-2.0	-121.55	336.25	5.35	-116.20
CC1=CC=C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C(C(=O)[O-])=C1	REAL300000341400	0	41	-2.0	-124.52	363.23	7.15	-117.37
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000341401	0	44	-2.0	-125.77	370.95	6.83	-118.94
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C(C(=O)[O-])=C1	REAL300000341403	1	34	-2.0	-127.56	305.12	6.86	-120.70
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341404	1	43	-2.0	-131.18	373.25	8.83	-122.35
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Br)C(C)=C2)C(C(=O)[O-])=C1	REAL300000341405	1	37	-2.0	-124.21	342.26	7.64	-116.57
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C(C(=O)[O-])=C1	REAL300000341406	0	34	-2.0	-134.72	311.56	6.24	-128.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C(C(=O)[O-])=C1	REAL300000341407	1	33	-2.0	-130.03	315.51	5.27	-124.76
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=N1	REAL300000341408	0	33	-2.0	-125.23	305.27	2.77	-122.46
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1Cl	REAL300000341409	0	34	-2.0	-120.59	326.22	4.81	-115.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C(C(=O)[O-])=C1	REAL300000341411	0	33	-2.0	-121.93	325.57	5.17	-116.76
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C(C(=O)[O-])=C1	REAL300000341412	0	36	-2.0	-139.87	341.01	7.07	-132.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C(C(=O)[O-])=C1	REAL300000341413	0	28	-2.0	-121.09	284.31	4.50	-116.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C(C(=O)[O-])=C1	REAL300000341414	1	36	-2.0	-137.42	337.76	6.86	-130.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000341415	1	40	-2.0	-139.26	343.32	8.73	-130.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)C(=O)N3C)C(C(=O)[O-])=C1	REAL300000341417	1	45	-2.0	-123.83	388.69	7.37	-116.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000341418	0	31	-2.0	-122.29	312.09	6.50	-115.79
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])O1	REAL300000341419	0	37	-2.0	-141.59	348.21	2.18	-139.41
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000341420	0	41	-2.0	-131.52	360.26	7.24	-124.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000341424	0	35	-2.0	-128.64	328.38	7.20	-121.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000341425	1	34	-2.0	-114.53	330.02	6.70	-107.83
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C(C(=O)[O-])=C1	REAL300000341427	0	27	-2.0	-115.29	288.48	4.31	-110.98
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1	REAL300000341428	1	41	-2.0	-127.14	371.22	7.79	-119.35
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1OC	REAL300000341429	0	36	-2.0	-125.50	337.51	3.90	-121.60
CC1=CC=C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000341430	0	32	-2.0	-90.54	318.29	4.47	-86.07
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000341431	0	30	-2.0	-111.21	302.18	4.52	-106.69
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000341432	0	35	-2.0	-125.84	335.64	6.57	-119.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C(C(=O)[O-])=C1	REAL300000341433	1	35	-2.0	-126.13	330.05	5.54	-120.59
CC1=CC=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C(C(=O)[O-])=C1	REAL300000341434	0	37	-2.0	-127.01	327.96	5.89	-121.12
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000341435	1	38	-2.0	-136.76	338.28	7.65	-129.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000341436	0	34	-2.0	-128.48	315.24	7.29	-121.19
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C(C(=O)[O-])=C1	REAL300000341437	1	40	-2.0	-121.70	363.43	6.37	-115.33
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000341438	0	28	-2.0	-115.25	309.62	5.99	-109.26
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000341439	0	31	-2.0	-119.92	304.41	3.93	-115.99
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341440	0	44	-2.0	-130.52	376.71	8.28	-122.24
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000341441	1	36	-2.0	-125.18	336.01	6.53	-118.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C(C(=O)[O-])=C1	REAL300000341442	1	42	-2.0	-131.07	374.99	8.80	-122.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C(C(=O)[O-])=C1	REAL300000341443	1	37	-2.0	-137.94	321.05	7.69	-130.25
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C(C(=O)[O-])=C1	REAL300000341444	0	29	-2.0	-124.32	288.71	4.34	-119.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C(C(=O)[O-])=C1	REAL300000341445	1	36	-2.0	-122.87	339.43	4.46	-118.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C(C(=O)[O-])=C1	REAL300000341446	0	32	-2.0	-128.39	326.06	4.68	-123.71
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000341447	0	40	-2.0	-130.67	365.52	4.97	-125.70
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])S1	REAL300000341447	1	39	-3.0	-201.46	362.22	3.84	-197.62
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)C(C(=O)[O-])=C1	REAL300000341448	0	33	-2.0	-115.57	312.30	5.28	-110.29
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341449	1	42	-2.0	-132.07	368.20	7.51	-124.56
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000341450	0	41	-2.0	-128.54	361.36	6.68	-121.86
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000341451	0	35	-2.0	-132.30	322.80	5.25	-127.05
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C(C(=O)[O-])=C1	REAL300000341452	1	37	-2.0	-126.46	347.20	8.68	-117.78
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C(Cl)S1	REAL300000341455	0	34	-2.0	-130.57	340.87	6.81	-123.76
CCC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=CC=C1Br	REAL300000341456	1	37	-2.0	-123.11	343.61	7.76	-115.35
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341457	0	44	-2.0	-125.19	372.45	7.03	-118.16
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(C(=O)[O-])=C1	REAL300000341458	0	28	-2.0	-122.48	283.30	4.39	-118.09
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C(C(=O)[O-])=C1	REAL300000341459	0	28	-2.0	-120.58	293.37	5.40	-115.18
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])=C1	REAL300000341460	0	45	-2.0	-135.85	389.38	6.18	-129.67
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C(C(=O)[O-])=C1	REAL300000341461	0	37	-2.0	-131.90	343.40	8.73	-123.17
CC1=CC=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000341462	0	39	-2.0	-124.06	336.84	3.64	-120.42
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C(C(=O)[O-])=C1	REAL300000341463	1	38	-2.0	-130.64	328.11	8.06	-122.58
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(C)=N1	REAL300000341467	1	37	-2.0	-120.05	327.41	3.33	-116.72
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341468	0	37	-2.0	-132.79	331.97	3.71	-129.08
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341470	0	34	-2.0	-125.04	327.27	3.55	-121.49
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1C	REAL300000341471	1	37	-2.0	-122.15	331.87	3.30	-118.85
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000341472	0	40	-2.0	-124.84	351.97	5.98	-118.86
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341473	0	40	-2.0	-126.33	348.16	5.63	-120.70
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C(C(=O)[O-])=C1	REAL300000341474	0	30	-2.0	-128.36	312.21	3.84	-124.52
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C(C(=O)[O-])=C1	REAL300000341475	0	29	-2.0	-126.98	287.53	4.30	-122.68
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C(C(=O)[O-])=C1	REAL300000341476	0	29	-2.0	-122.49	296.61	5.22	-117.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C(C(=O)[O-])=C1	REAL300000341478	0	37	-2.0	-122.12	326.28	5.16	-116.96
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1C	REAL300000341479	0	39	-2.0	-119.28	351.33	5.25	-114.03
CC1=CC=C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(=O)[O-])=C1	REAL300000341480	0	41	-2.0	-109.44	357.39	8.27	-101.17
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(=O)[O-])=C1	REAL300000341480	1	40	-3.0	-194.73	359.15	8.34	-186.39
CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000341481	0	34	-2.0	-131.64	326.40	7.70	-123.94
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C(C(=O)[O-])=C1	REAL300000341482	0	38	-2.0	-121.17	336.77	6.01	-115.16
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000341483	0	38	-2.0	-129.29	338.27	7.03	-122.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=NN1C(C)C	REAL300000341485	0	40	-2.0	-124.70	349.04	5.64	-119.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C(C(=O)[O-])=C1	REAL300000341486	1	38	-2.0	-133.46	344.43	8.09	-125.37
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000341487	0	33	-2.0	-123.04	311.90	4.91	-118.13
CC1=CC=C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)C(C(=O)[O-])=C1	REAL300000341488	0	31	-2.0	-123.50	323.97	2.02	-121.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000341491	1	38	-2.0	-127.98	346.06	8.13	-119.85
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C(C(=O)[O-])=C1	REAL300000341492	0	35	-2.0	-130.73	335.01	6.35	-124.38
CC1=CC=C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(=O)[O-])=C1	REAL300000341493	0	41	-2.0	-108.31	356.25	8.28	-100.03
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(=O)[O-])=C1	REAL300000341493	1	40	-3.0	-209.76	357.11	8.31	-201.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C(C(=O)[O-])=C1	REAL300000341494	1	32	-2.0	-129.24	295.58	3.03	-126.21
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000341495	0	34	-2.0	-137.05	324.21	6.88	-130.17
CC1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000341496	0	35	-2.0	-141.94	332.61	5.15	-136.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C(C(=O)[O-])=C1	REAL300000341497	1	38	-2.0	-136.67	340.38	8.19	-128.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2Cl)C(C(=O)[O-])=C1	REAL300000341498	0	34	-2.0	-126.15	331.60	7.50	-118.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C(C(=O)[O-])=C1	REAL300000341499	0	35	-2.0	-122.40	336.03	5.75	-116.65
CC1=CC=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000341500	0	38	-2.0	-128.74	352.46	6.94	-121.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C(C(F)F)=C1	REAL300000341501	1	38	-2.0	-128.08	335.57	6.38	-121.70
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C1C(=O)OC	REAL300000341502	1	44	-2.0	-125.81	388.50	7.51	-118.30
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C=C3C(=O)[O-])C=C2C1	REAL300000341503	1	44	-2.0	-131.41	383.85	8.41	-123.00
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)[O-]	REAL300000341504	0	37	-2.0	-123.42	349.65	4.06	-119.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000341505	0	39	-2.0	-146.98	342.28	7.05	-139.93
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000341506	0	36	-3.0	-189.79	331.32	6.33	-183.46
CCC1=C(S(=O)(=O)NC2=CC=C(C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000341506	1	37	-2.0	-98.16	331.50	5.98	-92.18
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)C(C(=O)[O-])=C1	REAL300000341507	0	44	-2.0	-138.97	374.00	7.89	-131.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)[O-])C=C(Cl)S1	REAL300000341508	0	31	-2.0	-117.92	311.11	6.27	-111.65
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C(C(=O)[O-])=C1	REAL300000341509	0	38	-2.0	-129.71	357.26	6.84	-122.87
CC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000341510	0	38	-2.0	-126.84	330.28	5.21	-121.63
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C(C(=O)[O-])=C1	REAL300000341511	0	34	-2.0	-134.23	311.45	6.62	-127.61
CCCCCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000341512	1	50	-2.0	-97.13	428.59	8.86	-88.27
CCCCCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000341513	1	50	-2.0	-109.45	428.59	8.85	-100.60
CCCCCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000341514	0	47	-2.0	-103.70	421.78	7.86	-95.84
CCCCCCOCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000341515	0	51	-2.0	-107.89	435.24	8.19	-99.70
CCCCCCOCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000341516	0	47	-2.0	-105.16	420.24	7.88	-97.28
CCCCCCOCC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000341517	0	50	-2.0	-102.95	431.60	7.98	-94.97
CCCCCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000341518	0	47	-2.0	-99.04	420.86	7.98	-91.06
CCCCCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000341519	0	49	-2.0	-107.39	424.81	6.98	-100.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C4CCCO4)=NC3=C2)C=C1	REAL300000341520	1	42	-2.0	-102.95	370.22	4.66	-98.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC(C4CCCO4)=NC3=C2)=C1	REAL300000341521	1	42	-2.0	-111.70	369.59	4.71	-106.99
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3NC(C4CCCO4)=NC3=C2)=C1	REAL300000341522	0	39	-2.0	-109.49	363.43	3.68	-105.81
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CCCO4)NC3=C2)=C1	REAL300000341522	1	39	-2.0	-105.26	363.32	3.68	-101.58
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(C4CCCO4)=NC3=C2)C=C1C(=O)[O-]	REAL300000341523	0	43	-2.0	-113.70	376.89	4.01	-109.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(C4CCCO4)=NC3=C2)=CS1	REAL300000341524	0	39	-2.0	-111.32	361.90	3.69	-107.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CCCO4)NC3=C2)=CS1	REAL300000341524	1	39	-2.0	-106.83	361.79	3.70	-103.13
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C4CCCO4)=NC3=C2)C=C(C(=O)[O-])O1	REAL300000341525	0	42	-2.0	-108.38	373.25	3.80	-104.58
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CCCO4)NC3=C2)C=C(C(=O)[O-])O1	REAL300000341525	1	42	-2.0	-105.17	373.15	3.80	-101.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C4CCCO4)=NC3=C2)S1	REAL300000341526	0	39	-2.0	-104.68	362.52	3.79	-100.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CCCO4)NC3=C2)S1	REAL300000341526	1	39	-2.0	-100.05	362.41	3.79	-96.26
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC(C4CCCO4)=NC3=C2)=C1	REAL300000341527	0	41	-2.0	-112.77	366.46	2.79	-109.98
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CCCO4)NC3=C2)=C1	REAL300000341527	1	41	-2.0	-108.46	366.35	2.79	-105.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=CC=N2)C=C1	REAL300000341531	0	38	-2.0	-112.55	347.68	4.68	-107.87
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1	REAL300000341534	0	34	-2.0	-102.99	332.60	5.45	-97.54
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1	REAL300000341537	0	34	-2.0	-104.33	325.01	4.94	-99.39
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1	REAL300000341539	0	31	-2.0	-101.45	312.72	3.89	-97.56
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000341542	1	35	-2.0	-105.48	326.19	4.23	-101.25
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1	REAL300000341544	0	34	-2.0	-97.67	328.66	4.57	-93.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=CS1	REAL300000341546	1	31	-2.0	-102.88	311.18	3.91	-98.97
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=CC=N2)C=C1	REAL300000341551	0	41	-2.0	-112.72	369.96	5.44	-107.28
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(N3N=CC=N3)C=C2)=C1	REAL300000341552	0	37	-2.0	-113.91	354.45	5.33	-108.58
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000341554	0	34	-2.0	-101.41	322.57	4.02	-97.39
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1	REAL300000341555	0	38	-2.0	-108.16	348.52	3.97	-104.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C(Cl)C=C1F	REAL300000341556	1	34	-2.0	-99.86	337.12	5.47	-94.39
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=CC=N2)C=C1	REAL300000341558	1	37	-2.0	-99.03	340.24	5.70	-93.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000341561	1	34	-2.0	-104.86	328.15	4.77	-100.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)C(Cl)=C1	REAL300000341562	1	34	-2.0	-92.66	332.59	5.44	-87.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)S1	REAL300000341564	0	31	-2.0	-96.52	311.80	4.01	-92.51
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1	REAL300000341565	1	34	-2.0	-98.03	325.94	4.95	-93.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1F	REAL300000341566	0	37	-2.0	-105.61	345.31	5.58	-100.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)C(F)=C1	REAL300000341567	0	34	-2.0	-94.19	325.00	4.95	-89.24
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1	REAL300000341571	1	36	-2.0	-92.23	347.72	5.55	-86.68
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3N=CC=N3)C=C2)=C1	REAL300000341572	0	35	-2.0	-108.32	328.45	3.39	-104.93
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1	REAL300000341572	1	35	-2.0	-107.39	329.25	2.59	-104.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000341579	1	36	-2.0	-105.73	346.11	5.97	-99.76
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1	REAL300000341580	0	34	-2.0	-96.00	331.28	5.01	-90.99
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000341582	0	37	-2.0	-105.30	341.01	5.48	-99.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1Cl	REAL300000341583	0	37	-2.0	-104.67	351.28	6.02	-98.65
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1	REAL300000341584	0	37	-2.0	-111.51	344.57	5.57	-105.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000341589	1	38	-2.0	-106.66	347.56	5.10	-101.56
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1[N+](=O)[O-]	REAL300000341593	0	36	-2.0	-114.13	343.26	6.74	-107.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1F	REAL300000341594	0	34	-2.0	-110.87	323.19	4.92	-105.95
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C1	REAL300000341597	0	33	-2.0	-104.58	315.75	3.01	-101.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=CC=N2)C=C1	REAL300000341598	1	38	-2.0	-99.00	347.74	4.67	-94.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)=C(Cl)O1	REAL300000341599	0	31	-2.0	-95.22	319.68	3.88	-91.34
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=CC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000341602	0	37	-2.0	-101.33	341.66	4.88	-96.45
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)C=C1	REAL300000341606	0	39	-2.0	-102.43	369.00	7.53	-94.90
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)C=C1	REAL300000341608	1	43	-2.0	-105.12	382.45	7.89	-97.23
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)C=C1	REAL300000341609	1	39	-2.0	-103.80	367.47	7.55	-96.25
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=C(C)C=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000341610	0	42	-2.0	-100.89	378.84	7.67	-93.22
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)C=C1	REAL300000341611	0	39	-2.0	-97.21	368.09	7.65	-89.56
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)C=C1	REAL300000341612	0	43	-2.0	-108.35	385.53	6.23	-102.12
CC1=CC=C(OC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)C=C1	REAL300000341612	1	43	-2.0	-108.06	384.61	7.11	-100.95
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)C=C1	REAL300000341617	0	41	-2.0	-105.62	372.03	6.63	-98.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=CC=C1F	REAL300000341618	0	35	-2.0	-107.10	332.23	6.17	-100.93
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1	REAL300000341619	0	43	-2.0	-108.33	387.32	7.23	-101.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1	REAL300000341620	0	35	-2.0	-97.29	327.68	6.15	-91.14
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000341621	0	35	-2.0	-109.57	327.70	6.13	-103.44
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1	REAL300000341622	0	39	-2.0	-115.24	355.84	5.94	-109.30
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1	REAL300000341623	0	39	-2.0	-96.90	359.15	7.44	-89.46
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000341624	0	38	-2.0	-110.72	343.72	6.67	-104.05
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000341625	0	35	-2.0	-105.50	340.77	6.72	-98.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=CC=C1Cl	REAL300000341626	0	35	-2.0	-105.45	340.20	6.54	-98.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1C	REAL300000341627	0	41	-2.0	-112.61	360.09	7.45	-105.16
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000341628	0	35	-2.0	-106.89	333.17	6.20	-100.69
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1	REAL300000341629	0	41	-2.0	-96.13	371.27	7.72	-88.41
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000341630	0	32	-2.0	-103.91	320.88	5.17	-98.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1	REAL300000341631	0	38	-2.0	-110.79	343.13	6.93	-103.86
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1	REAL300000341634	0	39	-2.0	-111.22	351.91	4.95	-106.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=CS1	REAL300000341637	0	32	-2.0	-105.31	319.35	5.18	-100.13
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000341639	0	45	-2.0	-114.46	382.96	8.77	-105.69
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1	REAL300000341640	0	44	-2.0	-112.92	381.60	8.14	-104.78
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000341643	0	37	-3.0	-184.51	356.11	6.72	-177.79
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000341644	0	42	-2.0	-114.81	371.94	8.03	-106.78
CC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000341645	0	35	-2.0	-103.72	330.71	5.29	-98.43
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000341646	0	39	-2.0	-110.58	356.68	5.23	-105.35
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN(C4=CC=CC=C4)N=C3)C=C2C1	REAL300000341647	0	43	-2.0	-96.86	381.33	6.75	-90.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C(Cl)C=C1F	REAL300000341648	0	35	-2.0	-102.24	345.29	6.73	-95.51
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=CC=C1OCC(=O)[O-]	REAL300000341649	0	42	-2.0	-96.02	378.85	7.12	-88.90
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1	REAL300000341650	0	38	-2.0	-101.38	348.41	6.96	-94.42
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1F	REAL300000341651	0	39	-2.0	-95.07	364.99	6.48	-88.59
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000341652	0	42	-2.0	-116.06	376.83	7.12	-108.94
CC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000341653	0	35	-2.0	-107.10	337.39	6.03	-101.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C(Cl)=C1	REAL300000341654	0	35	-2.0	-94.91	340.75	6.70	-88.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1F	REAL300000341655	0	35	-2.0	-96.84	332.22	6.18	-90.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)S1	REAL300000341656	0	32	-2.0	-98.83	319.97	5.26	-93.57
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000341657	0	35	-2.0	-100.53	334.10	6.20	-94.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1F	REAL300000341658	0	38	-2.0	-108.28	353.46	6.85	-101.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C(F)=C1	REAL300000341659	0	35	-2.0	-96.56	333.16	6.21	-90.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1Cl	REAL300000341660	0	35	-2.0	-94.86	340.20	6.54	-88.32
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1	REAL300000341661	0	38	-2.0	-103.03	357.14	7.35	-95.68
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1	REAL300000341662	0	43	-2.0	-93.65	391.43	7.55	-86.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=CC(F)=C1F	REAL300000341663	0	35	-2.0	-98.76	338.52	6.24	-92.52
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000341664	0	37	-2.0	-94.61	355.89	6.80	-87.81
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000341665	0	36	-2.0	-109.85	337.41	3.86	-105.99
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1	REAL300000341666	0	38	-2.0	-100.89	349.87	6.92	-93.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=CC(Cl)=C1F	REAL300000341667	0	35	-2.0	-100.10	348.40	6.67	-93.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1	REAL300000341668	0	38	-2.0	-105.62	337.77	6.76	-98.86
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000341669	0	38	-2.0	-108.46	352.53	6.79	-101.67
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1	REAL300000341670	0	38	-2.0	-97.59	343.11	6.92	-90.67
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000341671	0	41	-2.0	-113.94	364.50	7.30	-106.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=CC=C1[N+](=O)[O-]	REAL300000341672	0	37	-2.0	-107.85	354.28	7.23	-100.62
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000341673	0	35	-2.0	-98.53	339.45	6.27	-92.26
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000341674	0	41	-2.0	-109.76	362.18	7.51	-102.25
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000341675	0	38	-2.0	-108.02	349.18	6.74	-101.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1Cl	REAL300000341676	0	38	-2.0	-107.22	359.46	7.28	-99.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000341677	0	38	-2.0	-114.00	352.73	6.83	-107.17
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000341678	0	41	-2.0	-111.43	361.67	7.32	-104.11
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1CC(=O)[O-]	REAL300000341679	0	42	-2.0	-111.35	378.16	6.26	-105.09
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1	REAL300000341680	0	38	-2.0	-98.89	353.96	7.32	-91.57
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000341681	0	38	-2.0	-107.16	358.92	7.09	-100.07
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000341682	0	39	-2.0	-109.28	355.72	6.36	-102.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C(C)=C1CC(=O)[O-]	REAL300000341683	0	47	-2.0	-109.60	392.85	9.01	-100.59
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000341684	0	38	-2.0	-103.92	361.44	7.20	-96.72
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000341685	0	38	-2.0	-97.38	343.70	6.69	-90.69
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1	REAL300000341686	0	38	-2.0	-108.24	347.65	6.96	-101.28
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1[N+](=O)[O-]	REAL300000341687	0	37	-2.0	-116.45	351.44	7.99	-108.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1F	REAL300000341688	0	35	-2.0	-113.25	331.36	6.17	-107.08
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000341689	0	38	-2.0	-102.24	352.64	6.81	-95.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=CC2=CC=CC=C21	REAL300000341690	0	41	-2.0	-117.58	368.74	8.27	-109.31
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000341691	0	34	-2.0	-106.93	324.68	4.21	-102.72
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1	REAL300000341692	0	39	-2.0	-101.45	355.90	5.94	-95.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)=C(Cl)O1	REAL300000341693	0	32	-2.0	-97.54	327.85	5.12	-92.42
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(C4=CC=CC=C4)N=C3)C=C2)CC1	REAL300000341694	0	42	-2.0	-103.88	373.82	8.02	-95.86
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(C4=CC=CC=C4)N=C3)C=C2C1	REAL300000341695	0	42	-2.0	-106.68	373.13	8.02	-98.66
CCC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000341696	0	38	-2.0	-103.66	349.83	6.14	-97.52
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000341697	0	40	-2.0	-84.16	363.80	-0.24	-84.40
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000341698	0	33	-2.0	-98.66	311.90	1.21	-97.45
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000341699	0	41	-2.0	-100.51	366.97	2.28	-98.23
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000341700	0	33	-2.0	-89.20	307.33	1.18	-88.02
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000341701	0	33	-2.0	-100.50	307.34	1.18	-99.32
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000341702	0	37	-2.0	-105.93	335.49	0.99	-104.94
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000341703	0	33	-2.0	-96.24	323.61	1.67	-94.57
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000341704	0	37	-2.0	-89.67	338.79	2.47	-87.20
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000341705	0	36	-2.0	-101.37	323.38	1.71	-99.66
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000341706	0	39	-2.0	-103.83	339.74	2.48	-101.35
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000341707	0	33	-2.0	-97.75	312.82	1.24	-96.51
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000341708	0	39	-2.0	-88.87	350.91	2.77	-86.10
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000341709	0	30	-2.0	-95.16	300.53	0.20	-94.96
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000341710	0	36	-2.0	-102.14	322.78	1.95	-100.19
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000341711	0	37	-2.0	-88.27	338.41	1.46	-86.81
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000341712	0	44	-2.0	-84.98	384.19	2.23	-82.75
CCCNC(=O)N[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000341713	0	30	-2.0	-92.93	317.56	0.96	-91.97
CCCNC(=O)[N-][N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000341713	1	29	-3.0	-199.75	315.55	0.02	-199.73
CCCNC(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000341718	0	30	-2.0	-96.63	298.99	0.21	-96.42
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000341719	0	41	-2.0	-100.82	365.67	0.98	-99.84
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000341720	0	37	-2.0	-106.36	334.64	1.24	-105.12
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000341721	0	43	-2.0	-105.20	362.58	3.72	-101.48
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000341723	0	39	-2.0	-101.09	335.57	2.73	-98.36
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000341726	0	40	-2.0	-105.56	351.59	3.07	-102.49
CCCNC(=O)N[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000341727	0	33	-2.0	-95.43	310.35	0.32	-95.11
CCCNC(=O)[N-][N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000341727	1	32	-3.0	-201.81	308.34	-0.59	-202.40
CCCNC(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000341728	0	39	-2.0	-105.17	349.51	0.95	-104.22
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000341729	0	37	-2.0	-100.53	336.25	0.28	-100.25
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000341730	0	41	-2.0	-89.31	360.98	1.79	-87.52
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000341731	0	33	-2.0	-90.75	335.03	2.03	-88.72
CCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000341731	1	32	-3.0	-202.20	333.01	1.11	-201.09
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000341732	0	37	-2.0	-87.10	354.46	2.00	-85.10
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000341733	0	40	-2.0	-88.67	358.50	2.17	-86.50
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000341734	0	43	-2.0	-88.52	387.09	2.43	-86.09
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000341735	0	36	-2.0	-93.18	328.05	1.99	-91.19
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000341736	0	46	-2.0	-89.24	400.95	3.10	-86.14
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000341737	0	37	-2.0	-88.18	344.66	1.53	-86.65
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000341738	0	43	-2.0	-88.06	396.90	2.91	-85.15
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000341739	0	40	-2.0	-107.01	356.49	2.15	-104.86
CCCNC(=O)N[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000341740	0	33	-2.0	-98.91	315.94	1.08	-97.83
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000341741	0	33	-2.0	-90.94	335.56	2.19	-88.75
CCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000341741	1	32	-3.0	-199.93	333.55	1.26	-198.67
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000341742	0	33	-2.0	-86.99	320.40	1.73	-85.26
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000341743	0	33	-2.0	-86.71	323.75	1.86	-84.85
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000341744	0	33	-2.0	-89.03	311.87	1.22	-87.81
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000341745	0	30	-2.0	-90.38	299.61	0.31	-90.07
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000341746	0	33	-2.0	-91.94	313.76	1.24	-90.70
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000341747	0	36	-2.0	-98.99	333.10	1.88	-97.11
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000341748	0	37	-2.0	-91.48	347.65	1.79	-89.69
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000341749	0	33	-2.0	-88.00	312.81	1.25	-86.75
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000341750	0	33	-2.0	-86.93	319.84	1.58	-85.35
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000341751	0	36	-2.0	-94.76	336.79	2.37	-92.39
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000341752	0	36	-2.0	-90.46	338.17	2.40	-88.06
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000341753	0	41	-2.0	-86.98	371.09	2.59	-84.39
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000341754	0	33	-2.0	-86.43	323.58	1.68	-84.75
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000341755	0	35	-2.0	-86.54	335.54	1.85	-84.69
CCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000341755	1	34	-3.0	-196.38	333.53	0.93	-195.45
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000341756	0	34	-2.0	-101.33	317.06	-1.10	-102.43
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000341756	1	33	-3.0	-188.63	313.50	-0.22	-188.85
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000341757	0	36	-2.0	-94.34	341.24	2.24	-92.10
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000341758	0	36	-2.0	-92.63	329.51	1.96	-90.67
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000341759	0	33	-2.0	-91.98	328.06	1.71	-90.27
CCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000341759	1	32	-3.0	-201.57	326.05	0.79	-200.78
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000341760	0	36	-2.0	-96.27	317.41	1.81	-94.46
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000341761	0	36	-2.0	-95.23	340.82	2.46	-92.77
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000341762	0	36	-2.0	-99.83	332.18	1.83	-98.00
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000341763	0	36	-2.0	-89.68	322.34	1.89	-87.79
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000341764	0	39	-2.0	-104.35	344.14	2.35	-102.00
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000341765	0	35	-2.0	-99.90	333.92	2.27	-97.63
CCCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000341765	1	34	-3.0	-207.75	331.91	1.36	-206.39
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000341766	0	33	-2.0	-89.77	319.10	1.30	-88.47
CCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000341766	1	32	-3.0	-200.92	317.09	0.39	-200.53
CCCNC(=O)N[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000341767	0	30	-2.0	-87.89	319.92	0.84	-87.05
CCCNC(=O)[N-][N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000341767	1	29	-3.0	-196.58	317.91	-0.07	-196.65
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000341768	0	39	-2.0	-100.43	340.73	2.49	-97.94
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000341769	0	36	-2.0	-98.68	328.82	1.78	-96.90
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000341770	0	36	-2.0	-98.49	339.11	2.31	-96.18
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000341771	0	36	-2.0	-103.96	332.38	1.87	-102.09
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000341772	0	39	-2.0	-101.92	341.62	2.37	-99.55
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000341773	0	33	-2.0	-94.05	328.28	1.90	-92.15
CCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000341773	1	32	-3.0	-200.00	326.27	0.97	-199.03
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000341774	0	40	-2.0	-102.14	357.82	1.31	-100.83
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000341775	0	36	-2.0	-90.12	333.61	2.30	-87.82
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000341776	0	36	-2.0	-86.11	337.46	1.98	-84.13
CCCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000341776	1	35	-3.0	-192.35	335.44	1.07	-191.28
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000341777	0	36	-2.0	-98.26	338.57	2.14	-96.12
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000341778	0	33	-2.0	-93.55	328.65	1.79	-91.76
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300000341779	0	36	-2.0	-98.32	341.92	2.43	-95.89
CCCNC(=O)N[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000341780	0	37	-2.0	-100.30	335.36	1.40	-98.90
CCCNC(=O)N[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000341781	0	45	-2.0	-99.30	371.74	4.01	-95.29
CCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000341782	0	32	-3.0	-197.55	330.94	0.82	-196.73
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000341782	1	33	-2.0	-89.02	332.95	1.73	-87.29
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000341783	0	37	-2.0	-87.98	352.04	1.48	-86.50
CCCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000341783	1	36	-3.0	-196.81	350.03	0.57	-196.24
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000341784	0	36	-2.0	-93.98	337.22	2.14	-91.84
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000341785	0	37	-2.0	-102.55	347.67	1.80	-100.75
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000341786	0	36	-2.0	-89.12	323.35	1.72	-87.40
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000341787	0	38	-2.0	-92.61	348.06	3.25	-89.36
CCCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000341787	1	37	-3.0	-204.71	348.61	2.32	-202.39
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000341788	0	36	-2.0	-100.15	327.30	1.99	-98.16
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000341789	0	35	-2.0	-106.51	331.07	3.04	-103.47
CCCNC(=O)[N-][N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000341789	1	34	-3.0	-226.21	329.08	2.11	-224.10
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000341790	0	33	-2.0	-103.39	311.00	1.21	-102.18
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000341791	0	36	-2.0	-92.43	328.52	1.75	-90.68
CCCNC(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000341792	0	39	-2.0	-107.90	348.39	3.30	-104.60
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000341793	0	32	-2.0	-98.16	304.33	-0.77	-98.93
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000341794	0	37	-2.0	-92.80	335.54	0.99	-91.81
CCCNC(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000341795	0	30	-2.0	-89.39	307.48	0.15	-89.24
CCCNC(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000341795	1	29	-3.0	-195.13	305.47	-0.76	-195.89
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000341796	0	37	-2.0	-96.35	351.13	1.73	-94.62
CCCNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000341796	1	36	-3.0	-208.10	349.12	0.81	-207.29
CCCNC(=O)N[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000341797	0	36	-2.0	-91.49	350.68	-1.78	-93.27
CCCNC(=O)[N-][N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000341797	1	35	-3.0	-204.76	348.67	-2.70	-207.46
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000341798	0	40	-2.0	-94.24	351.32	3.00	-91.24
CCCNC(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000341799	0	40	-2.0	-97.27	352.78	3.06	-94.21
CCCNC(=O)N[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000341800	0	36	-2.0	-95.40	329.50	1.09	-94.31
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1S(N)(=O)=O	REAL300000341829	1	39	-2.0	-99.63	351.47	1.56	-98.07
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1S(N)(=O)=O	REAL300000341830	1	39	-2.0	-111.28	351.50	1.55	-109.73
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1S(N)(=O)=O	REAL300000341831	1	42	-2.0	-115.57	371.15	1.96	-113.61
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1S(N)(=O)=O	REAL300000341832	0	36	-2.0	-105.83	344.66	0.56	-105.27
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1S(N)(=O)=O	REAL300000341833	1	42	-2.0	-111.45	366.90	2.33	-109.12
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1S(N)(=O)=O	REAL300000341834	0	40	-2.0	-111.32	358.09	0.68	-110.64
CCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1S(N)(=O)=O	REAL300000341835	0	36	-2.0	-107.52	340.75	0.54	-106.98
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1S(N)(=O)=O	REAL300000341836	0	39	-2.0	-106.50	352.09	0.64	-105.86
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1S(N)(=O)=O	REAL300000341837	0	36	-2.0	-101.39	343.68	0.46	-100.93
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1S(N)(=O)=O	REAL300000341838	1	42	-2.0	-102.60	373.66	2.34	-100.26
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1S(N)(=O)=O	REAL300000341839	1	42	-2.0	-108.37	359.16	2.14	-106.23
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1S(N)(=O)=O	REAL300000341841	1	42	-2.0	-100.04	367.46	1.87	-98.17
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1S(N)(=O)=O	REAL300000341842	0	38	-2.0	-110.42	347.67	-0.54	-110.96
CCN(C1=CC=C(OC)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000341870	0	41	-2.0	-111.32	356.67	6.81	-104.51
CCN(C1=CC=C(OC)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000341895	0	39	-2.0	-109.36	330.74	5.37	-103.99
CCN(C1=CC=CC=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000341957	0	37	-2.0	-109.13	348.83	7.95	-101.18
CCN(C1=CC=CC=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000341986	0	35	-2.0	-108.41	317.03	6.07	-102.34
N#CC1=CC=CC=C1N(CC1=CC=CO1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000342031	0	40	-2.0	-124.08	368.24	7.39	-116.69
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000342038	1	40	-2.0	-119.48	362.93	3.39	-116.09
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000342039	1	40	-2.0	-108.26	358.39	3.37	-104.89
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000342040	1	40	-2.0	-120.27	358.39	3.35	-116.92
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000342041	0	44	-2.0	-125.04	386.53	3.16	-121.88
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000342042	1	44	-2.0	-107.43	389.86	4.66	-102.77
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000342043	1	43	-2.0	-123.77	374.24	3.94	-119.83
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000342044	0	40	-2.0	-115.06	371.46	3.94	-111.12
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000342045	1	40	-2.0	-118.01	370.90	3.76	-114.25
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000342046	1	46	-2.0	-121.91	391.07	4.72	-117.19
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000342047	0	40	-2.0	-117.31	363.86	3.43	-113.88
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000342048	1	46	-2.0	-106.44	401.97	4.94	-101.50
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000342049	0	37	-2.0	-114.64	351.57	2.38	-112.26
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000342050	1	43	-2.0	-119.72	373.82	4.15	-115.57
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000342052	0	41	-2.0	-118.84	365.03	2.73	-116.11
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000342054	0	40	-2.0	-111.81	367.50	3.04	-108.77
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000342056	0	37	-2.0	-106.04	349.76	2.44	-103.60
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000342058	1	46	-2.0	-117.34	388.56	5.08	-112.26
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000342059	0	40	-2.0	-113.10	361.42	2.50	-110.60
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000342060	0	44	-2.0	-125.02	387.30	2.46	-122.56
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000342061	1	43	-2.0	-110.50	379.10	4.18	-106.32
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000342062	0	40	-2.0	-116.15	368.08	3.26	-112.89
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000342063	0	40	-2.0	-105.75	371.44	3.92	-101.83
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000342064	1	40	-2.0	-107.38	362.91	3.40	-103.98
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000342065	0	37	-2.0	-110.38	350.66	2.48	-107.90
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000342066	1	40	-2.0	-111.05	364.80	3.43	-107.62
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000342067	0	43	-2.0	-118.79	384.15	4.07	-114.72
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000342068	0	40	-2.0	-108.29	363.85	3.43	-104.86
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000342069	1	40	-2.0	-105.58	370.88	3.77	-101.81
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000342070	1	40	-2.0	-108.94	369.21	3.46	-105.48
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000342071	0	41	-2.0	-118.21	368.09	1.08	-117.13
CCNC(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000342071	1	41	-2.0	-111.95	356.86	2.00	-109.95
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000342072	1	43	-2.0	-111.22	380.57	4.14	-107.08
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000342073	1	43	-2.0	-119.28	367.96	4.05	-115.23
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000342074	1	43	-2.0	-120.96	383.21	4.01	-116.95
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000342076	1	46	-2.0	-125.81	391.07	4.48	-121.33
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000342077	0	40	-2.0	-109.95	369.87	3.54	-106.41
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000342079	0	43	-2.0	-120.07	383.30	4.11	-115.96
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000342080	0	43	-2.0	-128.95	383.42	4.06	-124.89
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000342081	1	46	-2.0	-124.60	392.55	4.61	-119.99
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000342082	0	44	-2.0	-121.76	386.52	3.58	-118.18
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000342083	1	43	-2.0	-108.54	374.23	3.94	-104.60
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000342084	1	43	-2.0	-117.09	377.92	4.20	-112.89
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000342085	0	40	-2.0	-128.04	362.04	3.40	-124.64
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000342086	1	43	-2.0	-113.61	379.63	3.94	-109.67
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000342087	0	39	-2.0	-116.91	355.37	1.42	-115.49
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000342088	0	44	-2.0	-112.46	386.58	3.17	-109.29
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000342089	0	37	-2.0	-107.57	358.53	2.34	-105.23
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000342090	0	43	-2.0	-114.30	380.24	3.40	-110.90
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C2=NNC=C21	REAL300000342091	0	41	-2.0	-100.93	369.84	3.01	-97.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342092	0	34	-2.0	-118.48	317.92	4.44	-114.04
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C2=CNN=C21	REAL300000342093	0	42	-2.0	-118.79	373.00	5.51	-113.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=NNC=C21	REAL300000342094	0	34	-2.0	-108.16	313.36	4.43	-103.73
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342095	0	34	-2.0	-121.59	313.39	4.41	-117.18
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C2=CNN=C21	REAL300000342096	0	38	-2.0	-126.73	341.53	4.22	-122.51
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2=NNC=C21	REAL300000342097	0	38	-2.0	-107.16	344.84	5.72	-101.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342098	0	37	-2.0	-122.94	329.40	4.95	-117.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C2=NNC=C21	REAL300000342099	0	34	-2.0	-116.22	326.46	4.97	-111.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342100	0	34	-2.0	-117.04	325.89	4.81	-112.23
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342101	0	40	-2.0	-123.47	346.49	5.75	-117.72
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=NNC=C21	REAL300000342102	0	34	-2.0	-118.66	318.85	4.48	-114.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C2=NNC=C21	REAL300000342103	0	40	-2.0	-106.60	356.95	6.00	-100.60
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=NNC=C21	REAL300000342104	0	31	-2.0	-115.53	306.57	3.44	-112.09
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C2=NNC=C21	REAL300000342105	0	37	-2.0	-121.49	328.82	5.21	-116.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2=NNC=C21	REAL300000342106	0	38	-2.0	-105.88	344.45	4.71	-101.17
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342107	0	35	-2.0	-119.73	320.03	3.77	-115.96
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C2=NNC=C21	REAL300000342108	0	38	-2.0	-121.55	337.59	3.24	-118.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C3=CNN=C32)=C1	REAL300000342109	0	34	-2.0	-111.58	322.49	4.10	-107.48
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342110	0	40	-2.0	-122.85	344.83	5.74	-117.11
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342111	0	31	-2.0	-117.01	305.03	3.46	-113.55
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C3=CNN=C32)=CC(C(=O)[O-])=C1OC	REAL300000342112	0	42	-2.0	-121.84	371.69	4.23	-117.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C3=CNN=C32)C=C1C(=O)[O-]	REAL300000342113	0	38	-2.0	-127.31	340.67	4.49	-122.82
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C2=NNC=C21	REAL300000342114	0	44	-2.0	-125.86	368.63	7.05	-118.81
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C2=NNC=C21	REAL300000342115	0	43	-2.0	-123.80	367.29	6.43	-117.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C2=CNN=C21	REAL300000342116	0	40	-2.0	-118.93	343.51	6.13	-112.80
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C2=CNN=C21	REAL300000342117	0	41	-2.0	-127.85	363.82	4.98	-122.87
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342118	0	36	-3.0	-199.69	341.79	4.99	-194.70
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342118	1	37	-2.0	-116.42	342.22	4.89	-111.53
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C2=NNC=C21	REAL300000342119	0	41	-2.0	-126.29	357.63	6.32	-119.97
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C3=CNN=C32)C=C(C(=O)[O-])O1	REAL300000342120	0	34	-2.0	-114.35	316.39	3.56	-110.79
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342121	0	40	-2.0	-126.39	355.55	4.19	-122.20
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C3=CNN=C32)=C1	REAL300000342122	0	38	-2.0	-122.49	342.35	3.51	-118.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C2=NNC=C21	REAL300000342123	0	42	-2.0	-106.81	366.30	5.02	-101.79
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C2=NNC=C21	REAL300000342124	0	34	-2.0	-112.43	330.98	5.02	-107.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C2=NNC=C21	REAL300000342125	0	38	-2.0	-104.11	360.49	5.24	-98.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C2=NNC=C21	REAL300000342126	0	41	-2.0	-106.39	364.54	5.40	-100.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C2=NNC=C21	REAL300000342127	0	37	-2.0	-111.79	334.09	5.24	-106.55
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C2=NNC=C21	REAL300000342128	0	38	-2.0	-105.03	350.69	4.76	-100.27
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C3=CNN=C32)C=C1C(=O)[O-]	REAL300000342129	0	41	-2.0	-128.04	362.53	5.39	-122.65
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C3=CNN=C32)C=C(C(=O)[O-])S1	REAL300000342130	0	34	-2.0	-117.76	322.01	4.31	-113.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C2=NNC=C21	REAL300000342131	0	34	-2.0	-105.28	326.44	4.98	-100.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=NNC=C21	REAL300000342132	0	34	-2.0	-107.42	317.92	4.46	-102.96
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=NNC=C21	REAL300000342133	0	31	-2.0	-110.22	305.64	3.54	-106.68
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342134	0	34	-2.0	-112.06	319.79	4.48	-107.58
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342135	0	37	-2.0	-120.30	339.14	5.12	-115.18
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C3=CNN=C32)=C(Cl)C=C1C(=O)[O-]	REAL300000342136	0	38	-2.0	-109.97	353.69	5.04	-104.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=NNC=C21	REAL300000342137	0	34	-2.0	-107.99	318.85	4.49	-103.50
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=NNC=C21	REAL300000342138	0	34	-2.0	-105.58	325.89	4.82	-100.76
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C2=NNC=C21	REAL300000342139	0	37	-2.0	-113.47	342.83	5.62	-107.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C2=NNC=C21	REAL300000342140	0	42	-2.0	-103.59	377.12	5.83	-97.76
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342141	0	34	-2.0	-109.75	324.20	4.52	-105.23
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C2=NNC=C21	REAL300000342142	0	36	-2.0	-105.85	341.57	5.08	-100.77
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=NNC=C21	REAL300000342143	0	35	-2.0	-120.13	323.10	2.13	-118.00
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=NNC=C21	REAL300000342144	0	37	-2.0	-111.80	335.55	5.20	-106.60
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342145	0	34	-2.0	-111.28	334.09	4.95	-106.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C2=NNC=C21	REAL300000342146	0	37	-2.0	-117.81	323.42	5.06	-112.75
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)C2=NNC=C21	REAL300000342147	0	37	-2.0	-120.03	338.22	5.07	-114.96
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C2=NNC=C21	REAL300000342148	0	37	-2.0	-107.86	328.80	5.18	-102.68
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)C2=NNC=C21	REAL300000342149	0	40	-2.0	-125.09	346.26	5.48	-119.61
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342150	0	36	-2.0	-118.81	339.96	5.51	-113.30
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C2=NNC=C21	REAL300000342151	0	34	-2.0	-110.15	325.12	4.55	-105.60
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C2=NNC=C21	REAL300000342152	0	40	-2.0	-122.11	347.86	5.81	-116.30
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342153	0	37	-2.0	-120.04	334.86	5.02	-115.02
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342154	0	37	-2.0	-118.16	345.15	5.56	-112.60
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C3=CNN=C32)=C1	REAL300000342155	0	37	-2.0	-127.23	338.39	5.10	-122.13
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C3=CNN=C32)C=C1C(=O)[O-]	REAL300000342156	0	40	-2.0	-123.71	347.71	5.60	-118.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C3=CNN=C32)C=C1CC(=O)[O-]	REAL300000342157	0	41	-2.0	-124.29	363.86	4.54	-119.75
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C2=NNC=C21	REAL300000342158	0	37	-2.0	-110.58	340.17	5.57	-105.01
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C2=NNC=C21	REAL300000342159	0	37	-2.0	-104.43	343.52	5.23	-99.20
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)C2=NNC=C21	REAL300000342160	0	37	-2.0	-119.00	344.61	5.37	-113.63
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C3=CNN=C32)C=C1C(=O)[O-]	REAL300000342161	0	38	-2.0	-121.02	341.34	4.62	-116.40
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C2=NNC=C21	REAL300000342162	0	46	-2.0	-122.32	378.53	7.29	-115.03
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342163	0	37	-2.0	-114.85	343.25	5.39	-109.46
CC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342164	0	43	-2.0	-116.53	362.82	6.54	-109.99
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C3=CNN=C32)C=C1C(=O)[O-]	REAL300000342165	0	38	-2.0	-121.70	353.71	5.05	-116.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C2=NNC=C21	REAL300000342166	0	37	-2.0	-109.93	333.45	5.06	-104.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C2=NNC=C21	REAL300000342167	0	39	-2.0	-112.51	356.64	6.61	-105.90
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C2=NNC=C21	REAL300000342168	0	37	-2.0	-118.29	333.34	5.24	-113.05
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C2=NNC=C21	REAL300000342169	0	36	-2.0	-129.44	337.12	6.26	-123.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=NNC=C21	REAL300000342170	0	34	-2.0	-126.33	317.02	4.44	-121.89
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342171	0	37	-2.0	-113.06	334.54	4.99	-108.07
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342172	0	40	-2.0	-130.25	354.42	6.54	-123.71
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=NNC=C21	REAL300000342173	0	33	-2.0	-119.51	309.60	2.54	-116.97
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C2=CNN=C21	REAL300000342174	0	38	-2.0	-112.56	341.59	4.22	-108.34
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=NNC=C21	REAL300000342175	0	31	-2.0	-108.20	313.49	3.41	-104.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C2=NNC=C21	REAL300000342176	0	41	-2.0	-114.72	359.51	6.30	-108.42
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C2=NNC=C21	REAL300000342177	0	41	-2.0	-118.64	357.47	6.28	-112.36
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C3=CNN=C32)C=C(C(=O)[O-])O1	REAL300000342178	0	37	-2.0	-113.79	335.51	4.41	-109.38
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000342179	0	37	-2.0	-83.87	335.08	0.12	-83.75
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000342180	0	30	-2.0	-97.60	283.57	1.56	-96.04
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000342180	1	29	-3.0	-208.48	285.84	1.12	-207.36
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342181	0	38	-2.0	-100.06	338.95	2.62	-97.44
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342182	0	34	-2.0	-105.42	307.48	1.33	-104.09
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000342183	0	30	-2.0	-95.11	295.28	2.02	-93.09
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000342183	1	29	-3.0	-209.76	298.55	1.40	-208.36
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000342184	0	34	-2.0	-90.05	310.33	2.88	-87.17
CC1=CC=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000342185	0	33	-2.0	-100.27	294.53	2.10	-98.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)N(C)C)=C1C	REAL300000342186	0	36	-2.0	-103.25	310.74	2.81	-100.44
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000342187	0	30	-2.0	-97.82	284.04	1.51	-96.31
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000342187	1	29	-3.0	-209.77	286.83	1.11	-208.66
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000342188	0	36	-2.0	-88.19	322.13	3.04	-85.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342189	0	33	-2.0	-103.20	291.68	2.26	-100.94
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000342190	0	34	-2.0	-87.85	309.69	1.82	-86.03
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000342191	0	41	-2.0	-85.16	355.72	2.65	-82.51
CN(C)C(=O)N[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000342192	0	27	-2.0	-92.88	288.26	1.24	-91.64
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000342192	1	26	-3.0	-200.15	292.52	0.69	-199.46
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342193	0	34	-2.0	-103.30	300.62	0.23	-103.07
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)N(C)C)=C1	REAL300000342194	0	30	-2.0	-91.58	288.00	1.27	-90.31
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000342195	0	36	-2.0	-102.97	308.18	2.83	-100.14
COC1=CC(S(=O)(=O)[N-]NC(=O)N(C)C)=CC(C(=O)[O-])=C1OC	REAL300000342196	0	38	-2.0	-101.04	337.22	1.39	-99.65
COC1=CC=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000342197	0	34	-2.0	-106.79	305.91	1.60	-105.19
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000342198	0	40	-2.0	-104.51	334.27	4.06	-100.45
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342199	0	39	-2.0	-113.28	336.87	3.63	-109.65
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342200	0	36	-2.0	-108.99	313.23	3.19	-105.80
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342201	0	37	-2.0	-103.89	329.06	2.10	-101.79
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000342202	0	32	-3.0	-171.06	307.04	2.10	-168.96
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000342203	0	37	-2.0	-104.84	323.27	3.42	-101.42
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000342204	0	36	-2.0	-105.42	321.06	1.36	-104.06
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000342204	1	35	-3.0	-219.69	323.53	0.81	-218.88
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)N(C)C)=C1	REAL300000342205	0	34	-2.0	-99.70	307.79	0.69	-99.01
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000342206	0	38	-2.0	-89.38	332.66	2.16	-87.22
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000342207	0	30	-2.0	-91.40	307.02	2.37	-89.03
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000342207	1	29	-3.0	-201.57	309.45	1.88	-199.69
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000342208	0	34	-2.0	-86.93	326.45	2.34	-84.59
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000342208	1	33	-3.0	-191.53	329.27	1.83	-189.70
CC1=CC(S(=O)(=O)[N-]NC(=O)N(C)C)=CC=C1OCC(=O)[O-]	REAL300000342209	0	37	-2.0	-88.34	330.17	2.52	-85.82
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000342210	0	40	-2.0	-88.08	358.32	2.70	-85.38
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000342210	1	39	-3.0	-190.66	362.05	2.17	-188.49
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342211	0	33	-2.0	-92.72	299.06	2.33	-90.39
CC1=CC(S(=O)(=O)[N-]NC(=O)N(C)C)=CC=C1OCCCC(=O)[O-]	REAL300000342212	0	43	-2.0	-88.48	372.17	3.37	-85.11
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000342213	0	34	-2.0	-88.02	316.64	1.87	-86.15
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000342213	1	33	-3.0	-191.79	319.47	1.36	-190.43
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000342214	0	40	-2.0	-87.65	368.57	3.27	-84.38
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000342214	1	39	-3.0	-190.95	371.85	2.65	-188.30
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000342215	0	37	-2.0	-107.43	327.77	2.51	-104.92
CC1=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C(C(=O)[O-])S1	REAL300000342216	0	30	-2.0	-98.37	287.62	1.43	-96.94
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000342217	0	30	-2.0	-90.52	307.24	2.55	-87.97
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000342217	1	29	-3.0	-198.70	309.58	2.04	-196.66
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000342218	0	30	-2.0	-86.21	290.76	1.97	-84.24
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000342218	1	29	-3.0	-193.80	295.36	1.44	-192.36
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000342219	0	30	-2.0	-85.97	293.27	2.09	-83.88
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000342219	1	29	-3.0	-192.55	298.71	1.58	-190.97
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000342220	0	30	-2.0	-89.36	283.41	1.62	-87.74
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000342220	1	29	-3.0	-193.59	285.88	1.08	-192.51
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000342221	0	30	-2.0	-91.06	285.44	1.60	-89.46
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000342221	1	29	-3.0	-202.36	287.76	1.11	-201.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)N(C)C)=C1F	REAL300000342222	0	33	-2.0	-98.51	304.78	2.24	-96.27
COC1=CC(S(=O)(=O)[N-]NC(=O)N(C)C)=C(Cl)C=C1C(=O)[O-]	REAL300000342223	0	34	-2.0	-91.19	319.33	2.16	-89.03
COC1=CC(S(=O)(=O)[N-][N-]C(=O)N(C)C)=C(Cl)C=C1C(=O)[O-]	REAL300000342223	1	33	-3.0	-198.07	322.49	1.62	-196.45
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000342224	0	30	-2.0	-87.74	284.09	1.60	-86.14
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000342224	1	29	-3.0	-197.04	287.23	1.09	-195.95
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000342225	0	30	-2.0	-86.75	291.83	1.92	-84.83
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000342225	1	29	-3.0	-193.86	294.66	1.41	-192.45
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342226	0	33	-2.0	-94.26	307.79	2.71	-91.55
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342227	0	33	-2.0	-90.13	308.40	2.76	-87.37
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000342228	0	38	-2.0	-86.60	342.37	2.94	-83.66
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000342229	0	30	-2.0	-86.29	295.57	2.02	-84.27
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000342229	1	29	-3.0	-193.24	298.00	1.52	-191.72
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000342230	0	32	-2.0	-86.60	306.82	2.20	-84.40
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000342230	1	31	-3.0	-195.87	309.97	1.69	-194.18
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000342231	0	31	-2.0	-101.00	288.73	-0.74	-101.74
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000342231	1	30	-3.0	-186.44	284.72	0.05	-186.39
CC1=C(Br)C=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000342232	0	33	-2.0	-94.63	312.78	2.65	-91.98
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000342233	0	33	-2.0	-92.17	300.73	2.24	-89.93
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000342234	0	30	-2.0	-90.82	299.28	1.98	-88.84
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000342234	1	29	-3.0	-200.35	302.07	1.57	-198.78
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342235	0	33	-2.0	-95.82	288.32	2.19	-93.63
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342236	0	33	-2.0	-94.70	311.79	2.80	-91.90
CC1=CC(S(=O)(=O)[N-]NC(=O)N(C)C)=CC(C(=O)[O-])=C1F	REAL300000342237	0	33	-2.0	-99.88	303.40	2.10	-97.78
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342238	0	33	-2.0	-89.21	294.02	2.25	-86.96
CC1=CC(S(=O)(=O)[N-]NC(=O)N(C)C)=CC(C(=O)[O-])=C1C	REAL300000342239	0	36	-2.0	-104.54	315.43	2.73	-101.81
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000342240	0	32	-2.0	-99.35	305.75	2.65	-96.70
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000342240	1	31	-3.0	-207.43	308.86	2.01	-205.42
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000342241	0	30	-2.0	-89.48	290.77	1.66	-87.82
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000342241	1	29	-3.0	-201.17	294.06	1.03	-200.14
CN(C)C(=O)N[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000342242	0	27	-2.0	-87.77	291.20	1.20	-86.57
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000342242	1	26	-3.0	-196.31	294.35	0.68	-195.63
CC1=CC=C(S(=O)(=O)[N-]NC(=O)N(C)C)C(C)=C1C(=O)[O-]	REAL300000342243	0	36	-2.0	-99.88	311.69	2.84	-97.04
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000342244	0	33	-2.0	-99.58	301.04	2.09	-97.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)N(C)C)=C1Cl	REAL300000342245	0	33	-2.0	-97.71	310.38	2.67	-95.04
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)N(C)C)=C1	REAL300000342246	0	33	-2.0	-103.89	304.05	2.23	-101.66
COC1=CC(Br)=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000342247	0	34	-2.0	-103.10	321.24	2.29	-100.81
COC1=CC(Br)=C(S(=O)(=O)[N-][N-]C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000342247	1	33	-3.0	-209.86	324.98	1.83	-208.03
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000342248	0	36	-2.0	-103.51	313.74	2.68	-100.83
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000342249	0	30	-2.0	-93.77	300.27	2.24	-91.53
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000342249	1	29	-3.0	-199.30	302.71	1.74	-197.56
COC1=CC=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C1CC(=O)[O-]	REAL300000342250	0	37	-2.0	-100.02	329.10	1.66	-98.36
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342251	0	33	-2.0	-89.45	305.03	2.69	-86.76
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000342252	0	33	-2.0	-85.98	309.45	2.32	-83.66
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000342252	1	32	-3.0	-191.00	311.47	1.86	-189.14
CC1=CC(S(=O)(=O)[N-]NC(=O)N(C)C)=CC(C(=O)[O-])=C1Cl	REAL300000342253	0	33	-2.0	-96.86	309.84	2.49	-94.37
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000342254	0	30	-2.0	-92.61	300.32	2.15	-90.46
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000342254	1	29	-3.0	-205.21	302.60	1.71	-203.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)N(C)C)=C1Br	REAL300000342255	0	33	-2.0	-97.45	313.20	2.79	-94.66
CCN1C=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000342256	0	34	-2.0	-100.54	306.90	1.79	-98.75
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)N(C)C)C(C)=C1CC(=O)[O-]	REAL300000342257	0	42	-2.0	-99.04	343.78	4.43	-94.61
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000342258	0	29	-3.0	-197.62	307.78	1.57	-196.05
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000342258	1	30	-2.0	-89.78	304.49	2.14	-87.64
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000342259	0	34	-2.0	-87.67	323.72	1.84	-85.83
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000342259	1	33	-3.0	-195.94	326.47	1.32	-194.62
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000342260	0	33	-2.0	-94.17	308.76	2.55	-91.62
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000342261	0	34	-2.0	-103.35	318.86	2.19	-101.16
COC1=CC(Cl)=C(S(=O)(=O)[N-][N-]C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000342261	1	33	-3.0	-211.07	321.63	1.69	-209.38
CC1=CC(S(=O)(=O)[N-]NC(=O)N(C)C)=CC=C1C(=O)[O-]	REAL300000342262	0	33	-2.0	-89.13	295.47	2.11	-87.02
CC1=C(Br)C=C(S(=O)(=O)[N-]NC(=O)N(C)C)C(C)=C1C(=O)[O-]	REAL300000342263	0	36	-2.0	-93.62	328.39	3.34	-90.28
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000342264	0	35	-2.0	-91.34	318.81	3.48	-87.86
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000342264	1	34	-3.0	-210.07	322.48	3.07	-207.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342265	0	33	-2.0	-101.30	296.28	2.31	-98.99
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000342266	0	32	-2.0	-104.20	298.08	3.22	-100.98
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000342266	1	31	-3.0	-225.26	305.51	2.87	-222.39
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000342267	0	30	-2.0	-103.58	283.00	1.55	-102.03
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000342267	1	29	-3.0	-221.66	284.97	1.07	-220.59
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000342268	0	33	-2.0	-92.66	300.07	2.16	-90.50
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000342269	0	36	-2.0	-108.07	319.69	3.69	-104.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)N(C)C	REAL300000342270	0	34	-2.0	-92.49	307.54	1.33	-91.16
CN(C)C(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000342271	0	27	-2.0	-89.96	279.03	0.56	-89.40
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000342271	1	26	-3.0	-194.18	281.50	0.02	-194.16
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000342272	0	34	-2.0	-96.70	322.41	2.09	-94.61
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000342272	1	33	-3.0	-207.43	325.55	1.58	-205.85
CN(C)C(=O)[N-][N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000342273	0	32	-3.0	-203.43	324.69	-1.92	-205.35
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000342273	1	33	-2.0	-91.51	322.22	-1.38	-92.89
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000342274	0	37	-2.0	-93.14	323.00	3.36	-89.78
CN(C)C(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000342275	0	37	-2.0	-95.49	324.06	3.42	-92.07
CCC1=C(S(=O)(=O)[N-]NC(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000342276	0	33	-2.0	-104.70	306.17	1.56	-103.14
CCC1=C(S(=O)(=O)[N-][N-]C(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000342276	1	32	-3.0	-200.47	303.48	0.97	-199.50
COC(=O)C1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000342277	0	44	-2.0	-107.30	389.35	6.57	-100.73
COC(=O)C1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000342278	0	44	-2.0	-120.69	389.37	6.56	-114.13
COC(=O)C1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000342279	0	41	-2.0	-114.82	382.53	5.58	-109.24
COC(=O)C1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000342280	0	45	-2.0	-119.00	396.00	5.91	-113.09
COC(=O)C1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000342281	0	41	-2.0	-116.22	381.02	5.60	-110.62
COC(=O)C1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000342282	0	44	-2.0	-114.24	392.38	5.71	-108.53
COC(=O)C1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000342283	0	41	-2.0	-109.30	381.61	5.68	-103.62
COC(=O)C1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000342284	0	43	-2.0	-118.79	386.34	4.63	-114.16
N#CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)N=C1	REAL300000342286	1	39	-2.0	-108.22	373.13	5.75	-102.47
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=C(C#N)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000342287	1	40	-2.0	-106.80	379.75	5.10	-101.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=C(C#N)C=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000342288	0	39	-2.0	-102.51	376.22	4.91	-97.60
N#CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)N=C1	REAL300000342289	0	38	-2.0	-106.24	369.43	3.87	-102.37
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(OC)=N1	REAL300000342290	0	42	-2.0	-87.20	381.35	-0.90	-88.10
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342291	0	35	-2.0	-103.28	329.41	0.54	-102.74
COC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C(OC)=N1	REAL300000342292	0	43	-2.0	-104.01	384.49	1.60	-102.41
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(OC)=N1	REAL300000342293	0	35	-2.0	-93.48	324.86	0.52	-92.96
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(OC)=N1	REAL300000342294	0	35	-2.0	-105.59	324.87	0.51	-105.08
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(OC)=N1	REAL300000342295	0	39	-2.0	-110.54	353.02	0.31	-110.23
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(OC)=N1	REAL300000342296	0	39	-2.0	-93.13	356.34	1.80	-91.33
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342297	0	38	-2.0	-106.67	340.89	1.04	-105.63
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(OC)=N1	REAL300000342298	0	35	-2.0	-101.07	337.95	1.08	-99.99
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342299	0	35	-2.0	-101.57	337.38	0.91	-100.66
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(OC)=N1	REAL300000342300	0	41	-2.0	-107.96	357.27	1.83	-106.13
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(OC)=N1	REAL300000342301	0	35	-2.0	-102.53	330.34	0.57	-101.96
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(OC)=N1	REAL300000342302	0	41	-2.0	-92.18	368.45	2.10	-90.08
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(OC)=N1	REAL300000342303	0	32	-2.0	-100.03	318.06	-0.46	-100.49
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(OC)=N1	REAL300000342304	0	38	-2.0	-106.09	340.31	1.31	-104.78
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(OC)=N1	REAL300000342305	0	39	-2.0	-91.81	355.96	0.80	-91.01
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342306	0	36	-2.0	-104.02	331.52	-0.13	-104.15
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(OC)=N1	REAL300000342307	0	39	-2.0	-106.36	349.08	-0.66	-107.02
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(OC)=N1	REAL300000342308	0	35	-2.0	-96.26	334.01	0.20	-96.06
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(OC)=N1	REAL300000342309	0	41	-2.0	-107.18	356.32	1.84	-105.34
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(OC)=N1	REAL300000342310	0	32	-2.0	-101.42	316.52	-0.45	-101.87
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342311	0	43	-2.0	-106.15	383.20	0.32	-105.83
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342312	0	39	-2.0	-111.37	352.15	0.58	-110.79
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(OC)=N1	REAL300000342313	0	45	-2.0	-109.91	380.11	3.14	-106.77
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(OC)=N1	REAL300000342314	0	44	-2.0	-108.20	378.77	2.53	-105.67
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC)N=C1OC	REAL300000342315	0	41	-2.0	-104.28	355.00	2.23	-102.05
COC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(OC)=N1	REAL300000342316	0	42	-2.0	-111.26	375.30	1.08	-110.18
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(OC)=N1	REAL300000342317	0	37	-3.0	-180.23	353.28	1.08	-179.15
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(OC)=N1	REAL300000342318	0	42	-2.0	-110.22	369.12	2.41	-107.81
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(OC)=N1	REAL300000342319	0	35	-2.0	-99.45	327.88	-0.34	-99.79
COC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342320	0	41	-2.0	-110.46	367.05	0.29	-110.17
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(OC)=N1	REAL300000342321	0	39	-2.0	-106.93	353.80	-0.40	-107.33
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C(OC)=N1	REAL300000342322	0	43	-2.0	-92.23	377.79	1.12	-91.11
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(OC)=N1	REAL300000342323	0	35	-2.0	-97.91	342.47	1.12	-96.79
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(OC)=N1	REAL300000342324	0	42	-2.0	-92.25	376.03	1.51	-90.74
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(OC)=N1	REAL300000342325	0	38	-2.0	-97.16	345.17	1.36	-95.80
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(OC)=N1	REAL300000342326	0	39	-2.0	-91.36	362.17	0.86	-90.50
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)N=C2OC)C=C1C(=O)[O-]	REAL300000342327	0	42	-2.0	-112.03	374.01	1.49	-110.54
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(OC)=N1	REAL300000342328	0	35	-2.0	-102.66	333.50	0.41	-102.25
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(OC)=N1	REAL300000342329	0	35	-2.0	-91.21	337.92	1.08	-90.13
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(OC)=N1	REAL300000342330	0	35	-2.0	-93.13	329.41	0.55	-92.58
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(OC)=N1	REAL300000342331	0	32	-2.0	-95.07	317.13	-0.36	-95.43
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(OC)=N1	REAL300000342332	0	35	-2.0	-96.62	331.28	0.58	-96.04
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(OC)=N1	REAL300000342333	0	38	-2.0	-103.87	350.63	1.22	-102.65
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(OC)=N1	REAL300000342334	0	35	-2.0	-92.96	330.34	0.59	-92.37
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(OC)=N1	REAL300000342335	0	35	-2.0	-91.15	337.38	0.91	-90.24
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(OC)=N1	REAL300000342336	0	38	-2.0	-98.81	353.90	1.73	-97.08
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(OC)=N1	REAL300000342337	0	43	-2.0	-89.92	388.62	1.93	-87.99
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342338	0	35	-2.0	-94.98	335.69	0.61	-94.37
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(OC)=N1	REAL300000342339	0	37	-2.0	-90.98	353.06	1.18	-89.80
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(OC)=N1	REAL300000342340	0	36	-2.0	-104.78	334.59	-1.77	-106.55
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(OC)=N1	REAL300000342341	0	38	-2.0	-96.60	347.05	1.30	-95.30
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342342	0	35	-2.0	-96.38	345.58	1.05	-95.33
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(OC)=N1	REAL300000342343	0	38	-2.0	-102.11	334.91	1.15	-100.96
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342344	0	38	-2.0	-104.59	349.72	1.17	-103.42
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(OC)=N1	REAL300000342345	0	38	-2.0	-93.64	340.28	1.30	-92.34
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342346	0	41	-2.0	-108.61	357.75	1.57	-107.04
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342347	0	37	-2.0	-104.30	351.43	1.61	-102.69
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(OC)=N1	REAL300000342348	0	35	-2.0	-94.42	336.61	0.64	-93.78
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(OC)=N1	REAL300000342349	0	41	-2.0	-106.28	359.35	1.90	-104.38
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(OC)=N1	REAL300000342350	0	38	-2.0	-104.78	350.19	1.21	-103.57
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(OC)=N1	REAL300000342351	0	38	-2.0	-102.77	356.64	1.65	-101.12
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(OC)=N1	REAL300000342352	0	38	-2.0	-110.64	349.91	1.21	-109.43
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)N=C2OC)C=C1C(=O)[O-]	REAL300000342353	0	41	-2.0	-107.39	359.20	1.70	-105.69
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C(OC)=N1	REAL300000342354	0	42	-2.0	-108.27	375.34	0.65	-107.62
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(OC)=N1	REAL300000342355	0	38	-2.0	-95.43	351.14	1.68	-93.75
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342356	0	38	-2.0	-103.32	356.11	1.47	-101.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)N=C2OC)C=C1C(=O)[O-]	REAL300000342357	0	39	-2.0	-105.29	352.90	0.74	-104.55
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C(OC)=N1	REAL300000342358	0	47	-2.0	-106.27	390.02	3.39	-102.88
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342359	0	38	-2.0	-100.18	358.65	1.58	-98.60
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(OC)=N1	REAL300000342360	0	38	-2.0	-93.58	340.88	1.06	-92.52
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(OC)=N1	REAL300000342361	0	40	-2.0	-97.60	368.13	2.69	-94.91
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(OC)=N1	REAL300000342362	0	38	-2.0	-103.93	344.41	1.36	-102.57
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(OC)=N1	REAL300000342363	0	37	-2.0	-113.04	348.63	2.37	-110.67
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(OC)=N1	REAL300000342364	0	35	-2.0	-109.87	328.51	0.54	-109.33
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342365	0	38	-2.0	-98.36	349.83	1.19	-97.17
COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(OC)=N1	REAL300000342366	0	41	-2.0	-113.75	365.90	2.64	-111.11
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(OC)=N1	REAL300000342367	0	34	-2.0	-103.24	321.08	-1.36	-104.60
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(OC)=N1	REAL300000342368	0	39	-2.0	-97.55	353.07	0.32	-97.23
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(OC)=N1	REAL300000342369	0	32	-2.0	-93.54	324.98	-0.50	-94.04
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(OC)=N1	REAL300000342370	0	42	-2.0	-99.75	371.00	2.40	-97.35
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(OC)=N1	REAL300000342371	0	42	-2.0	-101.93	370.31	2.40	-99.53
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)N=C2OC)C=C(C(=O)[O-])O1	REAL300000342372	0	38	-2.0	-99.20	347.01	0.51	-98.69
CC(C)CN(C1=CC=C(C#N)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000342407	0	42	-2.0	-102.85	366.94	7.91	-94.94
COC1=CC=CC(N(CC(C)C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000342462	0	45	-2.0	-115.50	364.30	6.76	-108.74
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1	REAL300000342482	0	42	-2.0	-83.36	368.02	-0.35	-83.71
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=CC=C1F	REAL300000342483	0	35	-2.0	-96.03	316.08	1.07	-94.96
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=CC=C1F	REAL300000342483	1	34	-3.0	-209.66	318.72	0.73	-208.93
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N1CCOCC1	REAL300000342484	0	43	-2.0	-98.41	371.26	2.14	-96.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1	REAL300000342485	0	35	-2.0	-88.47	311.66	1.04	-87.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342486	0	35	-2.0	-100.93	311.55	1.04	-99.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N1CCOCC1	REAL300000342487	0	39	-2.0	-103.68	339.78	0.85	-102.83
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1	REAL300000342488	0	39	-2.0	-88.96	343.01	2.36	-86.60
CC1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1C(=O)[O-]	REAL300000342489	0	38	-2.0	-103.81	332.11	1.71	-102.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1C	REAL300000342490	0	41	-2.0	-101.10	343.96	2.36	-98.74
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342491	0	35	-2.0	-96.06	317.11	1.10	-94.96
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=C1	REAL300000342491	1	34	-3.0	-210.79	319.67	0.77	-210.02
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1	REAL300000342492	0	41	-2.0	-87.71	355.12	2.65	-85.06
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342493	0	32	-2.0	-93.20	304.82	0.06	-93.14
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=C1	REAL300000342493	1	31	-3.0	-206.03	307.38	-0.27	-206.30
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N1CCOCC1	REAL300000342494	0	38	-2.0	-99.87	327.07	1.81	-98.06
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1	REAL300000342495	0	39	-2.0	-87.30	342.70	1.32	-85.98
CN1C=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1C(=O)[O-]	REAL300000342496	0	36	-2.0	-99.10	318.19	0.40	-98.70
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N1CCOCC1	REAL300000342497	0	39	-2.0	-100.67	335.84	-0.16	-100.83
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342498	0	35	-2.0	-91.08	320.70	0.75	-90.33
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1C(=O)[O-]	REAL300000342499	0	41	-2.0	-100.58	343.00	2.36	-98.22
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=CS1	REAL300000342500	0	32	-2.0	-96.85	303.20	0.09	-96.76
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=CS1	REAL300000342500	1	31	-3.0	-208.39	305.84	-0.28	-208.67
COC1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=CC(C(=O)[O-])=C1OC	REAL300000342501	0	43	-2.0	-98.52	369.94	0.85	-97.67
COC1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1C(=O)[O-]	REAL300000342502	0	39	-2.0	-103.42	338.83	1.11	-102.31
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342503	0	45	-2.0	-102.74	366.89	3.55	-99.19
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N1CCOCC1	REAL300000342504	0	44	-2.0	-111.60	369.44	3.26	-108.34
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N1CCOCC1	REAL300000342505	0	41	-2.0	-108.01	346.21	2.80	-105.21
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N1CCOCC1	REAL300000342506	0	42	-2.0	-102.53	362.07	1.61	-100.92
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=CC(C(=O)[O-])=C1	REAL300000342507	0	37	-3.0	-170.90	339.93	1.61	-169.29
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342508	0	42	-2.0	-102.67	355.81	2.94	-99.73
CC1=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C(C(=O)[O-])O1	REAL300000342509	0	35	-2.0	-93.70	314.68	0.19	-93.51
CC1=C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)C=C(C(=O)[O-])O1	REAL300000342509	1	34	-3.0	-201.74	317.21	-0.15	-201.89
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=CC2=C1OCCO2	REAL300000342510	0	41	-2.0	-105.14	353.69	0.82	-104.32
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342511	0	39	-2.0	-100.57	340.48	0.16	-100.41
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)N3CCOCC3)C=C2C1	REAL300000342512	0	43	-2.0	-88.20	364.56	1.64	-86.56
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=CC(Cl)=C1Cl	REAL300000342513	0	35	-2.0	-88.67	339.35	1.90	-86.77
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=CC(Cl)=C1Cl	REAL300000342513	1	34	-3.0	-202.24	341.88	1.55	-200.69
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1Cl	REAL300000342514	0	39	-2.0	-86.45	358.65	1.87	-84.58
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)C=C1Cl	REAL300000342514	1	38	-3.0	-191.29	361.26	1.51	-189.78
CC1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=CC=C1OCC(=O)[O-]	REAL300000342515	0	42	-2.0	-87.61	362.82	2.03	-85.58
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N1CCOCC1	REAL300000342516	0	38	-2.0	-91.03	332.27	1.86	-89.17
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1F	REAL300000342517	0	39	-2.0	-87.67	348.84	1.39	-86.28
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)C=C1F	REAL300000342517	1	38	-3.0	-191.57	351.45	1.03	-190.54
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1C(=O)[O-]	REAL300000342518	0	42	-2.0	-107.41	360.68	2.02	-105.39
CC1=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C(C(=O)[O-])S1	REAL300000342519	0	35	-2.0	-96.94	320.24	0.94	-96.00
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342520	0	35	-2.0	-89.06	339.78	2.07	-86.99
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=C1	REAL300000342520	1	34	-3.0	-199.68	342.42	1.69	-197.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C(Cl)=C1	REAL300000342521	0	35	-2.0	-86.15	324.61	1.61	-84.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)C(Cl)=C1	REAL300000342521	1	34	-3.0	-193.66	327.25	1.24	-192.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1F	REAL300000342522	0	35	-2.0	-88.70	316.06	1.08	-87.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)C=C1F	REAL300000342522	1	34	-3.0	-194.67	318.74	0.74	-193.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)S1	REAL300000342523	0	32	-2.0	-90.07	303.91	0.17	-89.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)S1	REAL300000342523	1	31	-3.0	-199.01	306.47	-0.17	-199.18
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342524	0	35	-2.0	-91.98	318.08	1.11	-90.87
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=C1	REAL300000342524	1	34	-3.0	-203.41	320.61	0.76	-202.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1F	REAL300000342525	0	38	-2.0	-96.91	337.33	1.76	-95.15
COC1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C(Cl)C=C1C(=O)[O-]	REAL300000342526	0	39	-2.0	-90.69	351.86	1.67	-89.02
COC1=CC(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=C(Cl)C=C1C(=O)[O-]	REAL300000342526	1	38	-3.0	-198.17	354.50	1.29	-196.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C(F)=C1	REAL300000342527	0	35	-2.0	-87.44	317.02	1.13	-86.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)C(F)=C1	REAL300000342527	1	34	-3.0	-197.73	319.66	0.77	-196.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1Cl	REAL300000342528	0	35	-2.0	-86.29	324.04	1.45	-84.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)C=C1Cl	REAL300000342528	1	34	-3.0	-193.83	326.70	1.11	-192.72
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N1CCOCC1	REAL300000342529	0	38	-2.0	-92.48	341.00	2.25	-90.23
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1	REAL300000342530	0	43	-2.0	-85.94	375.41	2.45	-83.49
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342531	0	37	-2.0	-84.79	339.83	1.71	-83.08
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=C1	REAL300000342531	1	36	-3.0	-196.34	342.35	1.35	-194.99
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342532	0	36	-2.0	-99.33	321.35	-1.25	-100.58
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342532	1	35	-3.0	-187.59	317.79	-0.36	-187.95
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1	REAL300000342533	0	38	-2.0	-91.59	333.72	1.85	-89.74
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=CC(Cl)=C1F	REAL300000342534	0	35	-2.0	-90.04	332.38	1.57	-88.47
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=CC(Cl)=C1F	REAL300000342534	1	34	-3.0	-201.74	334.91	1.23	-200.51
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)N1CCOCC1	REAL300000342535	0	38	-2.0	-97.42	325.01	1.73	-95.69
CC1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=CC(C(=O)[O-])=C1F	REAL300000342536	0	38	-2.0	-97.44	336.50	1.69	-95.75
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)N1CCOCC1	REAL300000342537	0	38	-2.0	-88.44	327.06	1.80	-86.64
CC1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=CC(C(=O)[O-])=C1C	REAL300000342538	0	41	-2.0	-100.20	344.41	2.11	-98.09
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=CC=C1[N+](=O)[O-]	REAL300000342539	0	37	-2.0	-93.20	335.71	2.16	-91.04
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=CC=C1[N+](=O)[O-]	REAL300000342539	1	36	-3.0	-207.68	340.77	1.78	-205.90
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342540	0	35	-2.0	-88.23	323.30	1.19	-87.04
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=C1	REAL300000342540	1	34	-3.0	-200.98	325.94	0.82	-200.16
CC1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C(C)=C1C(=O)[O-]	REAL300000342541	0	41	-2.0	-100.09	346.31	2.45	-97.64
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1C(=O)[O-]	REAL300000342542	0	38	-2.0	-96.76	333.02	1.64	-95.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1Cl	REAL300000342543	0	38	-2.0	-96.16	343.30	2.18	-93.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342544	0	38	-2.0	-104.46	336.58	1.75	-102.71
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1C(=O)[O-]	REAL300000342545	0	41	-2.0	-98.80	346.07	2.24	-96.56
COC1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1CC(=O)[O-]	REAL300000342546	0	42	-2.0	-102.37	362.01	1.17	-101.20
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)N1CCOCC1	REAL300000342547	0	38	-2.0	-89.87	338.10	2.16	-87.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1C(F)(F)F	REAL300000342548	0	38	-2.0	-85.63	341.66	1.86	-83.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)C=C1C(F)(F)F	REAL300000342548	1	37	-3.0	-192.15	344.27	1.48	-190.67
CC1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=CC(C(=O)[O-])=C1Cl	REAL300000342549	0	38	-2.0	-95.77	342.89	2.01	-93.76
CCN1C=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1C(=O)[O-]	REAL300000342550	0	39	-2.0	-100.32	339.58	1.26	-99.06
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C(C)=C1CC(=O)[O-]	REAL300000342551	0	47	-2.0	-100.17	376.91	3.91	-96.26
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=C(F)C(Cl)=C1F	REAL300000342552	0	34	-3.0	-197.50	339.79	1.25	-196.25
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C(F)C(Cl)=C1F	REAL300000342552	1	35	-2.0	-87.54	337.16	1.62	-85.92
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1C(=O)[O-]	REAL300000342553	0	38	-2.0	-95.02	345.70	2.14	-92.88
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1C(=O)[O-]	REAL300000342554	0	39	-2.0	-100.52	351.96	1.65	-98.87
COC1=CC(Cl)=C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)C=C1C(=O)[O-]	REAL300000342554	1	38	-3.0	-212.46	354.51	1.30	-211.16
CC1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=CC=C1C(=O)[O-]	REAL300000342555	0	38	-2.0	-88.20	327.52	1.58	-86.62
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C([N+](=O)[O-])=C1	REAL300000342556	0	40	-2.0	-91.63	354.98	3.11	-88.52
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)C([N+](=O)[O-])=C1	REAL300000342556	1	39	-3.0	-210.81	357.46	2.76	-208.05
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)N1CCOCC1	REAL300000342557	0	38	-2.0	-98.11	331.59	1.84	-96.27
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1[N+](=O)[O-]	REAL300000342558	0	37	-2.0	-107.25	335.27	2.92	-104.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=C1[N+](=O)[O-]	REAL300000342558	1	36	-3.0	-226.30	337.91	2.54	-223.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1F	REAL300000342559	0	35	-2.0	-103.65	315.26	1.06	-102.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=C1F	REAL300000342559	1	34	-3.0	-223.13	317.86	0.73	-222.40
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C1C(=O)[O-]	REAL300000342560	0	38	-2.0	-93.48	336.79	1.73	-91.75
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=CC2=CC=CC=C21	REAL300000342561	0	41	-2.0	-104.64	352.77	3.18	-101.46
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C1	REAL300000342562	0	34	-2.0	-97.41	307.78	-0.81	-98.22
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=C1	REAL300000342562	1	33	-3.0	-213.18	310.41	-1.18	-214.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)N1CCOCC1	REAL300000342563	0	39	-2.0	-91.46	339.76	0.87	-90.59
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)N2CCOCC2)=C(Cl)O1	REAL300000342564	0	32	-2.0	-88.14	311.82	0.03	-88.11
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)=C(Cl)O1	REAL300000342564	1	31	-3.0	-195.33	314.33	-0.33	-195.66
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)N3CCOCC3)C=C2)CC1	REAL300000342565	0	42	-2.0	-93.68	357.68	2.95	-90.73
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)N3CCOCC3)C=C2C1	REAL300000342566	0	42	-2.0	-96.53	357.12	2.93	-93.60
CCC1=C(S(=O)(=O)[N-]NC(=O)N2CCOCC2)C=C(C(=O)[O-])O1	REAL300000342567	0	38	-2.0	-103.74	338.72	1.19	-102.55
CCC1=C(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)C=C(C(=O)[O-])O1	REAL300000342567	1	37	-3.0	-201.70	336.28	0.61	-201.09
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000342568	0	40	-2.0	-90.07	372.15	3.34	-86.73
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000342569	0	33	-2.0	-106.61	320.24	4.78	-101.83
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000342570	0	41	-2.0	-107.85	375.32	5.84	-102.01
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000342571	0	33	-2.0	-96.81	315.67	4.76	-92.05
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000342572	0	33	-2.0	-109.18	315.70	4.75	-104.43
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000342573	0	37	-2.0	-115.01	343.84	4.55	-110.46
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000342574	0	37	-2.0	-96.24	347.15	6.05	-90.19
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000342575	0	36	-2.0	-110.36	331.71	5.29	-105.07
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000342576	0	33	-2.0	-105.15	328.77	5.34	-99.81
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000342577	0	33	-2.0	-105.03	328.21	5.15	-99.88
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000342578	0	39	-2.0	-112.49	348.80	6.08	-106.41
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000342579	0	33	-2.0	-106.91	321.17	4.82	-102.09
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000342580	0	39	-2.0	-95.57	359.28	6.33	-89.24
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000342581	0	30	-2.0	-103.60	308.88	3.77	-99.83
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000342582	0	36	-2.0	-110.62	331.13	5.53	-105.09
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000342583	0	37	-2.0	-94.85	346.76	5.03	-89.82
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000342584	0	34	-2.0	-107.53	322.35	4.10	-103.43
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000342585	0	37	-2.0	-110.94	339.90	3.56	-107.38
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000342586	0	33	-2.0	-99.82	324.80	4.43	-95.39
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000342587	0	39	-2.0	-111.86	347.15	6.07	-105.79
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000342588	0	30	-2.0	-104.89	307.35	3.78	-101.11
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000342589	0	41	-2.0	-109.64	374.02	4.56	-105.08
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000342590	0	37	-2.0	-115.01	342.99	4.82	-110.19
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000342591	0	43	-2.0	-114.56	370.94	7.38	-107.18
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000342592	0	42	-2.0	-112.69	369.59	6.76	-105.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC	REAL300000342593	0	39	-2.0	-108.79	345.84	6.48	-102.31
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000342594	0	40	-2.0	-114.89	366.13	5.32	-109.57
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000342595	0	35	-3.0	-184.96	344.10	5.32	-179.64
COC1=CC=C(C#N)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000342595	1	36	-2.0	-112.78	344.08	5.27	-107.51
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000342596	0	40	-2.0	-114.89	359.94	6.65	-108.24
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000342597	0	33	-2.0	-103.61	318.71	3.89	-99.72
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000342598	0	39	-2.0	-114.08	357.87	4.53	-109.55
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000342599	0	37	-2.0	-109.66	344.66	3.84	-105.82
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000342600	0	41	-2.0	-95.47	368.62	5.35	-90.12
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000342601	0	33	-2.0	-101.86	333.29	5.35	-96.51
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000342602	0	37	-2.0	-93.43	362.80	5.57	-87.86
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000342603	0	40	-2.0	-95.39	366.85	5.73	-89.66
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000342604	0	36	-2.0	-101.12	336.41	5.57	-95.55
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000342605	0	37	-2.0	-94.39	353.00	5.09	-89.30
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC)C=C1C(=O)[O-]	REAL300000342606	0	40	-2.0	-115.72	364.89	5.72	-110.00
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000342607	0	33	-2.0	-106.81	325.39	4.64	-102.17
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000342608	0	33	-2.0	-94.22	328.75	5.32	-88.90
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000342609	0	33	-2.0	-96.35	320.22	4.79	-91.56
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000342610	0	30	-2.0	-98.60	307.96	3.87	-94.73
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000342611	0	33	-2.0	-100.12	322.11	4.81	-95.31
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000342612	0	36	-2.0	-108.33	341.44	5.45	-102.88
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000342613	0	37	-2.0	-98.89	356.01	5.37	-93.52
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000342614	0	33	-2.0	-96.15	321.16	4.82	-91.33
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000342615	0	33	-2.0	-94.34	328.19	5.16	-89.18
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000342616	0	36	-2.0	-102.84	345.14	5.94	-96.90
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000342617	0	41	-2.0	-92.91	379.43	6.16	-86.75
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000342618	0	33	-2.0	-98.26	326.52	4.85	-93.41
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000342619	0	35	-2.0	-94.25	343.89	5.41	-88.84
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000342620	0	34	-2.0	-109.51	325.41	2.46	-107.05
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000342621	0	36	-2.0	-100.79	337.88	5.53	-95.26
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000342622	0	33	-2.0	-99.65	336.40	5.28	-94.37
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000342623	0	36	-2.0	-104.79	325.74	5.39	-99.40
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000342624	0	36	-2.0	-107.98	340.53	5.40	-102.58
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000342625	0	36	-2.0	-97.04	331.11	5.52	-91.52
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000342626	0	39	-2.0	-112.25	349.16	5.83	-106.42
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000342627	0	35	-2.0	-107.53	342.27	5.84	-101.69
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000342628	0	33	-2.0	-98.47	327.43	4.88	-93.59
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000342629	0	39	-2.0	-109.04	350.17	6.14	-102.90
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000342630	0	36	-2.0	-108.03	337.18	5.35	-102.68
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000342631	0	36	-2.0	-106.98	347.48	5.89	-101.09
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000342632	0	36	-2.0	-113.36	340.74	5.44	-107.92
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC)C=C1C(=O)[O-]	REAL300000342633	0	39	-2.0	-111.07	350.00	5.94	-105.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC)C=C1CC(=O)[O-]	REAL300000342634	0	40	-2.0	-111.30	366.17	4.87	-106.43
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000342635	0	36	-2.0	-98.34	341.96	5.94	-92.40
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000342636	0	36	-2.0	-106.84	346.92	5.71	-101.13
CCN1C=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC)C=C1C(=O)[O-]	REAL300000342637	0	37	-2.0	-108.85	343.63	4.97	-103.88
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000342638	0	45	-2.0	-108.54	380.61	7.60	-100.94
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000342639	0	36	-2.0	-102.56	345.56	5.72	-96.84
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000342640	0	42	-2.0	-106.34	365.14	6.89	-99.45
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000342641	0	37	-2.0	-110.77	356.03	5.38	-105.39
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000342642	0	36	-2.0	-97.00	331.71	5.30	-91.70
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000342643	0	38	-2.0	-101.18	358.95	6.94	-94.24
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000342644	0	36	-2.0	-107.90	335.65	5.57	-102.33
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000342645	0	35	-2.0	-115.53	339.45	6.61	-108.92
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000342646	0	33	-2.0	-112.57	319.33	4.78	-107.79
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000342647	0	36	-2.0	-100.92	336.86	5.32	-95.60
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000342648	0	39	-2.0	-117.50	356.74	6.87	-110.63
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000342649	0	32	-2.0	-107.15	312.67	2.82	-104.33
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000342650	0	37	-2.0	-101.00	343.90	4.55	-96.45
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000342651	0	30	-2.0	-97.40	315.80	3.72	-93.68
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000342652	0	40	-2.0	-103.58	361.82	6.64	-96.94
COC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000342653	0	40	-2.0	-105.38	359.78	6.61	-98.77
CCC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC)C=C(C(=O)[O-])O1	REAL300000342654	0	36	-2.0	-103.44	337.83	4.74	-98.70
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=C(C#N)C=C3)C=C2)C=C1C(=O)[O-]	REAL300000342657	1	41	-2.0	-102.75	381.86	7.61	-95.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=C(C#N)C=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000342658	0	40	-2.0	-100.52	378.25	7.39	-93.13
N#CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)C=C1	REAL300000342659	0	39	-2.0	-103.55	371.45	6.37	-97.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)=CC=C1F	REAL300000342660	1	37	-2.0	-109.64	346.55	4.13	-105.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)C=C1	REAL300000342661	1	37	-2.0	-99.95	341.98	4.10	-95.85
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)=C1	REAL300000342662	1	37	-2.0	-112.16	342.00	4.09	-108.07
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)C=C1	REAL300000342663	1	41	-2.0	-98.99	373.45	5.39	-93.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)C=C1C(=O)[O-]	REAL300000342664	1	40	-2.0	-113.28	358.02	4.63	-108.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)=C1C	REAL300000342665	1	43	-2.0	-114.48	374.68	5.45	-109.03
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)=C1	REAL300000342666	0	37	-2.0	-109.04	347.48	4.16	-104.88
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)C=C1	REAL300000342667	1	43	-2.0	-98.07	385.57	5.69	-92.38
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)=C1	REAL300000342668	0	34	-2.0	-106.63	335.19	3.11	-103.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC(=O)C=C2)=C1	REAL300000342669	1	40	-2.0	-112.35	357.43	4.89	-107.46
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)C=C1C(=O)[O-]	REAL300000342670	0	38	-2.0	-110.60	348.65	3.44	-107.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)=C1	REAL300000342671	0	37	-2.0	-102.84	351.12	3.78	-99.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)=CS1	REAL300000342673	0	34	-2.0	-107.93	333.65	3.13	-104.80
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC(=O)C=C2)=C1	REAL300000342674	1	43	-2.0	-110.43	372.14	5.82	-104.61
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)C=C(C(=O)[O-])O1	REAL300000342675	0	37	-2.0	-105.87	345.01	3.23	-102.64
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)C=C(C(=O)[O-])S1	REAL300000342676	0	37	-2.0	-108.82	351.69	3.99	-104.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)C=C1F	REAL300000342677	1	37	-2.0	-99.46	346.53	4.13	-95.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)S1	REAL300000342678	0	34	-2.0	-101.60	334.27	3.22	-98.38
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)=C1	REAL300000342679	1	37	-2.0	-102.96	348.41	4.16	-98.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)C(F)=C1	REAL300000342680	0	37	-2.0	-99.40	347.46	4.17	-95.23
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)=C1	REAL300000342681	0	38	-2.0	-111.03	351.72	1.81	-109.22
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3=NNC(=O)C=C3)=C2)=C1	REAL300000342681	1	38	-2.0	-110.19	350.81	2.68	-107.51
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)C=C1	REAL300000342682	1	40	-2.0	-102.72	364.17	4.88	-97.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NNC(=O)C=C2)=C1	REAL300000342683	1	40	-2.0	-108.71	352.04	4.73	-103.98
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)=CC(C(=O)[O-])=C1C	REAL300000342685	1	43	-2.0	-115.18	374.89	5.16	-110.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)C=C1C(=O)[O-]	REAL300000342687	1	43	-2.0	-113.92	376.28	5.28	-108.64
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)C=C1C(=O)[O-]	REAL300000342688	0	41	-2.0	-111.92	370.02	4.31	-107.61
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)=CC=C1C(=O)[O-]	REAL300000342689	1	40	-2.0	-100.03	358.01	4.64	-95.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)=C1F	REAL300000342690	0	37	-2.0	-116.84	345.66	4.13	-112.71
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)=C1	REAL300000342691	0	36	-2.0	-108.64	338.99	2.15	-106.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)=C(Cl)O1	REAL300000342692	0	34	-2.0	-99.91	342.15	3.07	-96.84
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC(=O)C=C3)=C2)C=C(C(=O)[O-])O1	REAL300000342693	0	40	-2.0	-105.53	364.13	4.09	-101.44
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)=C1	REAL300000342700	0	38	-2.0	-101.76	354.90	6.17	-95.59
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)=C1	REAL300000342702	0	35	-2.0	-98.88	342.61	5.13	-93.75
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300000342704	1	39	-2.0	-102.49	356.07	5.47	-97.02
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)=C1	REAL300000342705	0	38	-2.0	-95.05	358.55	5.78	-89.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)=CS1	REAL300000342707	1	35	-2.0	-99.93	342.84	5.21	-94.72
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000342709	0	38	-2.0	-98.88	352.43	5.24	-93.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000342710	1	38	-2.0	-102.31	358.02	6.00	-96.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)C=C1F	REAL300000342711	1	38	-2.0	-91.51	353.96	6.15	-85.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)S1	REAL300000342712	0	35	-2.0	-93.93	341.69	5.22	-88.71
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)=C1	REAL300000342713	1	38	-2.0	-95.02	355.82	6.16	-88.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)C(F)=C1	REAL300000342714	0	38	-2.0	-91.50	354.88	6.18	-85.32
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)=C1	REAL300000342715	0	39	-2.0	-104.80	359.14	3.82	-100.98
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3=CC=NC=C3)C=C2)=C1	REAL300000342715	1	39	-2.0	-104.56	358.23	4.62	-99.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300000342722	1	42	-2.0	-103.74	377.43	6.33	-97.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)=C1F	REAL300000342724	0	38	-2.0	-108.22	353.04	6.13	-102.09
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)=C1	REAL300000342725	0	37	-2.0	-102.01	345.63	4.23	-97.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)=C(Cl)O1	REAL300000342726	0	35	-2.0	-92.61	349.57	5.08	-87.53
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000342727	0	41	-2.0	-98.88	371.55	6.09	-92.79
CC1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000342730	0	41	-2.0	-99.63	376.06	6.01	-93.62
CC1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000342731	1	45	-2.0	-103.63	389.52	6.34	-97.29
CC1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000342732	1	41	-2.0	-101.03	374.53	6.03	-95.00
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C)C=C(C(=O)[O-])O1	REAL300000342733	0	44	-2.0	-99.50	385.89	6.13	-93.37
CC1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000342734	0	41	-2.0	-94.64	375.14	6.13	-88.51
CC1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000342735	0	43	-2.0	-103.03	379.09	5.11	-97.92
CN(C1=CC=CC=C1OC1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000342745	0	43	-2.0	-115.16	381.75	8.15	-107.01
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000342751	1	42	-2.0	-101.40	376.54	1.12	-100.28
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000342752	1	35	-2.0	-118.57	324.63	2.57	-116.00
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(N)=O)=CC=C1C	REAL300000342753	0	43	-2.0	-120.64	379.71	3.63	-117.01
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000342754	1	35	-2.0	-108.31	320.06	2.54	-105.77
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000342755	1	35	-2.0	-121.75	320.08	2.53	-119.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(N)=O)=CC=C1C	REAL300000342756	0	39	-2.0	-128.75	348.23	2.34	-126.41
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000342757	1	39	-2.0	-107.68	351.54	3.83	-103.85
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000342758	1	38	-2.0	-122.97	336.10	3.07	-119.90
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000342759	0	35	-2.0	-118.00	333.15	3.12	-114.88
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000342760	1	35	-2.0	-117.21	332.60	2.93	-114.28
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000342761	1	41	-2.0	-126.31	352.75	3.89	-122.42
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000342762	0	35	-2.0	-120.21	325.56	2.61	-117.60
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000342763	1	41	-2.0	-107.30	363.65	4.13	-103.17
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000342764	0	32	-2.0	-115.65	313.27	1.55	-114.10
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000342765	1	38	-2.0	-123.97	335.52	3.32	-120.65
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000342767	0	36	-2.0	-119.77	326.74	1.88	-117.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2C)=C1	REAL300000342769	0	35	-2.0	-111.61	329.19	2.22	-109.39
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000342771	0	32	-2.0	-117.03	311.73	1.57	-115.46
COC1=CC(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000342772	1	43	-2.0	-121.82	378.42	2.36	-119.46
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000342774	1	45	-2.0	-128.25	375.32	5.16	-123.09
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000342775	1	44	-2.0	-126.35	373.99	4.56	-121.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(N)=O)=CC=C1C	REAL300000342776	1	41	-2.0	-122.33	349.53	4.24	-118.09
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(N)=O)=CC=C1C	REAL300000342777	0	42	-2.0	-128.08	370.52	3.11	-124.97
CC1=CC=C(C(N)=O)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000342778	0	38	-2.0	-120.42	347.02	3.05	-117.37
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000342778	1	37	-3.0	-198.36	348.49	3.11	-195.25
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000342779	1	42	-2.0	-128.55	364.33	4.44	-124.11
CC1=C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000342780	0	35	-2.0	-116.00	323.09	1.68	-114.32
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000342781	1	41	-2.0	-126.40	362.26	2.31	-124.09
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2C)=C1	REAL300000342782	0	39	-2.0	-121.00	349.00	1.63	-119.37
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000342783	1	43	-2.0	-107.29	373.01	3.15	-104.14
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000342784	0	35	-2.0	-114.29	337.67	3.13	-111.16
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000342785	1	39	-2.0	-104.63	367.19	3.37	-101.26
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000342787	1	38	-2.0	-113.84	340.79	3.36	-110.48
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000342788	1	39	-2.0	-105.46	357.39	2.88	-102.58
CC1=C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000342790	0	35	-2.0	-119.75	329.78	2.42	-117.33
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000342791	0	35	-2.0	-105.40	333.13	3.10	-102.30
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000342792	1	35	-2.0	-107.49	324.61	2.58	-104.91
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000342793	0	32	-2.0	-110.26	312.35	1.66	-108.60
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000342794	1	35	-2.0	-112.12	326.50	2.60	-109.52
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000342795	0	38	-2.0	-121.75	345.83	3.24	-118.51
COC1=CC(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000342796	0	39	-2.0	-109.99	360.39	3.16	-106.83
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000342797	0	35	-2.0	-107.71	325.55	2.61	-105.10
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000342798	1	35	-2.0	-105.68	332.58	2.94	-102.74
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000342799	1	38	-2.0	-115.68	349.53	3.75	-111.93
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000342800	1	43	-2.0	-104.24	383.82	3.95	-100.29
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000342801	1	35	-2.0	-109.82	330.90	2.64	-107.18
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000342802	0	37	-2.0	-105.97	348.28	3.22	-102.75
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000342803	0	36	-2.0	-123.27	329.80	0.25	-123.02
CC1=CC=C(C(N)=O)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000342803	1	36	-2.0	-121.52	327.22	1.07	-120.45
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000342804	1	38	-2.0	-113.13	342.25	3.32	-109.81
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000342805	1	35	-2.0	-111.35	340.79	3.08	-108.27
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000342806	1	38	-2.0	-116.45	330.12	3.17	-113.28
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000342807	1	38	-2.0	-120.06	344.92	3.20	-116.86
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000342809	1	41	-2.0	-125.06	353.55	3.62	-121.44
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000342810	0	37	-2.0	-118.85	346.66	3.62	-115.23
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000342811	0	35	-2.0	-111.09	331.82	2.67	-108.42
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000342813	0	38	-2.0	-122.60	345.40	3.24	-119.36
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000342814	0	38	-2.0	-119.96	351.87	3.68	-116.28
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2C)=C1	REAL300000342815	0	38	-2.0	-125.38	345.13	3.24	-122.14
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2C)C=C1C(=O)[O-]	REAL300000342816	1	41	-2.0	-123.85	354.41	3.72	-120.13
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000342818	1	38	-2.0	-109.81	346.35	3.73	-106.08
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000342819	1	38	-2.0	-119.06	351.31	3.50	-115.56
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2C)C=C1C(=O)[O-]	REAL300000342820	0	39	-2.0	-121.07	348.03	2.74	-118.33
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000342822	1	38	-2.0	-114.93	349.95	3.51	-111.42
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000342823	0	44	-2.0	-118.89	369.52	4.67	-114.22
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2C)C=C1C(=O)[O-]	REAL300000342824	0	39	-2.0	-123.62	360.41	3.17	-120.45
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000342825	1	38	-2.0	-108.56	336.09	3.09	-105.47
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000342826	0	40	-2.0	-113.43	363.34	4.74	-108.69
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000342827	1	38	-2.0	-121.20	339.62	3.38	-117.82
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000342828	0	37	-2.0	-127.29	343.81	4.40	-122.89
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000342829	0	35	-2.0	-124.44	323.72	2.56	-121.88
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000342830	1	38	-2.0	-113.13	341.25	3.11	-110.02
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000342831	1	41	-2.0	-130.21	361.13	4.67	-125.54
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000342832	0	34	-2.0	-120.62	317.06	0.61	-120.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(N)=O)=CC=C1C	REAL300000342833	0	39	-2.0	-112.99	348.29	2.33	-110.66
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000342834	0	32	-2.0	-109.20	320.18	1.53	-107.67
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000342835	1	42	-2.0	-115.85	366.20	4.42	-111.43
CC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000342836	1	42	-2.0	-117.03	364.17	4.42	-112.61
CCC1=C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000342837	0	38	-2.0	-115.99	342.20	2.54	-113.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3=CC=CC=C3)C=C2)C=C1	REAL300000342838	1	42	-2.0	-93.85	377.53	7.02	-86.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3=CC=CC=C3)C=C2)=C1	REAL300000342839	1	42	-2.0	-105.77	377.55	7.01	-98.76
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000342840	0	43	-2.0	-104.22	384.19	6.37	-97.85
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3=CC=CC=C3)C=C2)=C1	REAL300000342841	0	41	-2.0	-107.27	373.75	5.16	-102.11
CC1=CC=CC(N(CCC(N)=O)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000342875	0	42	-2.0	-115.97	372.01	3.54	-112.43
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000342895	0	43	-2.0	-111.86	382.63	7.80	-104.06
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000342896	0	43	-2.0	-101.71	378.09	7.78	-93.93
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000342897	0	43	-2.0	-114.63	378.10	7.77	-106.86
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000342898	0	46	-2.0	-115.98	394.12	8.31	-107.67
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000342899	0	43	-2.0	-111.07	383.57	7.84	-103.23
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000342900	0	40	-2.0	-108.78	371.28	6.80	-101.98
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000342901	0	46	-2.0	-113.74	393.53	8.57	-105.17
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000342902	0	44	-2.0	-113.05	384.75	7.13	-105.92
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000342903	0	43	-2.0	-105.01	387.21	7.46	-97.55
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000342904	0	40	-2.0	-110.14	369.75	6.81	-103.33
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000342905	0	43	-2.0	-107.22	381.10	6.92	-100.30
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000342906	0	43	-2.0	-110.18	386.72	7.67	-102.51
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000342907	0	43	-2.0	-101.16	382.64	7.81	-93.35
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000342908	0	40	-2.0	-103.64	370.36	6.90	-96.74
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000342909	0	43	-2.0	-105.36	384.52	7.84	-97.52
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000342910	0	43	-2.0	-101.53	383.56	7.85	-93.68
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000342911	0	44	-2.0	-111.90	387.82	5.48	-106.42
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000342912	0	46	-2.0	-104.48	400.27	8.56	-95.92
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000342913	0	46	-2.0	-111.72	388.14	8.41	-103.31
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000342914	0	46	-2.0	-101.38	393.51	8.56	-92.82
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000342915	0	47	-2.0	-114.38	406.13	8.00	-106.38
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000342916	0	46	-2.0	-103.56	398.17	8.42	-95.14
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000342917	0	43	-2.0	-120.14	381.74	7.80	-112.34
COC(=O)C1=CC(C(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000342918	0	42	-2.0	-112.69	374.31	5.91	-106.78
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000342919	0	46	-2.0	-105.98	396.43	7.67	-98.31
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000342929	1	38	-2.0	-108.71	342.23	6.07	-102.64
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(F)=C1	REAL300000342931	1	35	-2.0	-105.14	329.93	5.04	-100.10
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2F)=C1	REAL300000342936	1	38	-2.0	-101.16	345.89	5.70	-95.46
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000342943	0	41	-2.0	-107.51	369.74	6.41	-101.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2F)C=C(C(=O)[O-])O1	REAL300000342945	1	38	-2.0	-105.39	339.75	5.15	-100.24
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(F)=C1	REAL300000342953	1	35	-2.0	-99.86	329.00	5.14	-94.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2F)=C1F	REAL300000342955	1	41	-2.0	-110.30	362.50	6.70	-103.60
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000342956	1	38	-2.0	-97.40	342.20	6.08	-91.32
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(F)=C1	REAL300000342960	0	39	-2.0	-105.91	345.65	4.53	-101.38
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(F)=C1	REAL300000342967	1	38	-2.0	-100.09	348.47	6.13	-93.96
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2F)C=C1C(=O)[O-]	REAL300000342969	1	41	-2.0	-109.87	357.85	6.61	-103.26
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2F)=C1	REAL300000342970	1	41	-2.0	-115.06	361.79	6.70	-108.36
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(F)=C1	REAL300000342976	0	40	-2.0	-117.01	360.47	7.86	-109.15
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000342977	1	38	-2.0	-111.72	344.81	5.95	-105.77
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(F)=C1	REAL300000342979	0	37	-2.0	-108.66	332.95	4.14	-104.52
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(F)=C1	REAL300000342981	1	35	-2.0	-98.88	336.84	5.00	-93.88
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2F)C=C(C(=O)[O-])O1	REAL300000342984	1	41	-2.0	-105.42	358.89	6.00	-99.42
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2S1	REAL300000342985	1	39	-2.0	-103.16	366.06	6.58	-96.58
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2S1	REAL300000342986	1	39	-2.0	-93.36	361.50	6.56	-86.80
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2S1	REAL300000342987	1	39	-2.0	-105.63	361.52	6.55	-99.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C(C)C)SC3=C2)C=C1C(=O)[O-]	REAL300000342988	1	42	-2.0	-108.03	381.59	7.20	-100.83
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2S1	REAL300000342989	0	39	-2.0	-102.60	367.00	6.61	-95.99
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2S1	REAL300000342990	0	36	-2.0	-99.87	354.71	5.57	-94.30
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=C(C(C)C)SC2=C1	REAL300000342991	1	42	-2.0	-106.32	376.95	7.34	-98.98
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2S1	REAL300000342992	0	40	-2.0	-103.94	368.16	5.91	-98.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3N=C(C(C)C)SC3=C2)=C1	REAL300000342993	0	39	-2.0	-96.12	370.64	6.24	-89.88
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2S1	REAL300000342994	0	36	-2.0	-101.34	353.17	5.58	-95.76
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C(C)C)SC3=C2)C=C(C(=O)[O-])O1	REAL300000342995	0	39	-2.0	-99.43	364.53	5.69	-93.74
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C(C)C)SC3=C2)C=C(C(=O)[O-])S1	REAL300000342996	0	39	-2.0	-102.84	370.12	6.44	-96.40
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2S1	REAL300000342997	1	39	-2.0	-92.94	366.05	6.59	-86.35
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2S1	REAL300000342998	0	36	-2.0	-94.97	353.79	5.68	-89.29
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2S1	REAL300000342999	1	39	-2.0	-96.48	367.93	6.62	-89.86
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2S1	REAL300000343000	0	39	-2.0	-92.73	366.98	6.62	-86.11
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2S1	REAL300000343001	0	40	-2.0	-105.13	371.24	4.26	-100.87
CC(C)C1=NC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2S1	REAL300000343001	1	40	-2.0	-106.24	370.43	5.04	-101.20
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2S1	REAL300000343002	1	42	-2.0	-96.53	383.69	7.34	-89.19
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2N=C(C(C)C)SC2=C1	REAL300000343003	1	42	-2.0	-102.12	371.59	7.19	-94.93
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2N=C(C(C)C)SC2=C1	REAL300000343004	1	42	-2.0	-93.56	376.93	7.32	-86.24
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3N=C(C(C)C)SC3=C2)C=C1C(=O)[O-]	REAL300000343005	0	43	-2.0	-105.17	389.54	6.76	-98.41
CC1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C(C)C)SC3=C2)=CC=C1C(=O)[O-]	REAL300000343006	1	42	-2.0	-93.41	377.53	7.10	-86.31
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2S1	REAL300000343007	0	39	-2.0	-109.95	365.14	6.58	-103.37
CC(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2S1	REAL300000343008	0	38	-2.0	-103.15	357.74	4.68	-98.47
CCC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C(C)C)SC3=C2)C=C(C(=O)[O-])O1	REAL300000343009	0	42	-2.0	-99.21	383.65	6.54	-92.67
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3CCCCC3)C=C2)=C1	REAL300000343012	0	45	-2.0	-101.00	393.47	7.62	-93.38
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000343013	1	49	-2.0	-104.71	406.93	7.96	-96.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CCCCC3)C=C2)=CS1	REAL300000343014	1	45	-2.0	-102.55	391.94	7.64	-94.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3CCCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000343015	0	48	-2.0	-100.28	403.29	7.75	-92.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3CCCCC3)C=C2)S1	REAL300000343016	0	45	-2.0	-96.00	392.56	7.74	-88.26
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCC3CCCCC3)C=C2)=C1	REAL300000343017	0	47	-2.0	-103.94	396.51	6.73	-97.21
CN(C1=CC=C(OC2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000343027	0	43	-2.0	-107.06	382.48	7.96	-99.10
COC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000343037	0	41	-2.0	-106.13	377.99	6.13	-100.00
COC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000343038	0	38	-2.0	-103.29	365.70	5.09	-98.20
COC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000343040	1	42	-2.0	-109.03	379.17	5.43	-103.60
COC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000343041	0	41	-2.0	-99.42	381.65	5.76	-93.66
COC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000343042	1	38	-2.0	-104.69	364.17	5.10	-99.59
COC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000343043	0	41	-2.0	-105.01	375.55	5.21	-99.80
COC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000343044	1	41	-2.0	-108.51	381.14	5.95	-102.56
COC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000343046	0	38	-2.0	-99.80	364.78	5.19	-94.61
COC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000343047	1	41	-2.0	-99.88	378.92	6.14	-93.74
COC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000343048	0	41	-2.0	-95.98	377.98	6.14	-89.84
COC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000343049	0	42	-2.0	-111.30	382.23	3.79	-107.51
COC(=O)CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000343049	1	42	-2.0	-107.71	381.42	4.58	-103.13
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCC(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000343053	1	45	-2.0	-110.37	400.54	6.29	-104.08
COC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000343055	0	41	-2.0	-114.23	376.17	6.10	-108.13
COC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000343056	0	40	-2.0	-106.54	368.73	4.18	-102.36
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCCC(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000343057	0	44	-2.0	-104.97	394.64	6.07	-98.90
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000343058	1	31	-2.0	-98.58	319.67	6.58	-92.00
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300000343059	1	31	-2.0	-88.95	315.13	6.56	-82.39
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000343060	1	31	-2.0	-100.94	315.14	6.55	-94.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C)C(Cl)=C1	REAL300000343061	0	35	-2.0	-106.38	343.30	6.35	-100.03
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1Cl	REAL300000343062	1	35	-2.0	-88.81	346.59	7.84	-80.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000343063	1	34	-2.0	-101.99	331.17	7.07	-94.92
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1Cl	REAL300000343064	0	31	-2.0	-96.81	328.21	7.12	-89.69
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000343065	1	31	-2.0	-96.87	327.65	6.94	-89.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)=C1C	REAL300000343066	1	37	-2.0	-103.97	347.54	7.86	-96.11
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000343067	0	31	-2.0	-98.23	320.62	6.61	-91.62
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300000343068	1	37	-2.0	-88.07	358.72	8.13	-79.94
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000343069	0	28	-2.0	-95.49	308.33	5.56	-89.93
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C)C(Cl)=C1	REAL300000343070	1	34	-2.0	-102.08	330.59	7.33	-94.75
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000343072	0	32	-2.0	-99.46	321.80	5.91	-93.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)=C1	REAL300000343074	0	31	-2.0	-91.67	324.26	6.23	-85.44
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000343076	0	28	-2.0	-96.88	306.79	5.58	-91.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C)C(Cl)=C1	REAL300000343078	1	37	-2.0	-100.66	345.28	8.28	-92.38
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000343079	0	31	-2.0	-95.31	318.16	5.70	-89.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)=C1	REAL300000343080	0	35	-2.0	-102.01	344.11	5.64	-96.37
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1Cl	REAL300000343081	1	34	-2.0	-92.85	335.86	7.37	-85.48
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000343082	0	31	-2.0	-98.73	323.77	6.44	-92.29
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1Cl	REAL300000343083	0	31	-2.0	-86.60	328.21	7.11	-79.49
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000343084	1	31	-2.0	-88.54	319.65	6.59	-81.95
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000343085	0	28	-2.0	-90.47	307.41	5.68	-84.79
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000343086	1	31	-2.0	-91.94	321.57	6.61	-85.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)=C1F	REAL300000343087	0	34	-2.0	-99.62	340.92	7.25	-92.37
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000343088	0	31	-2.0	-88.22	320.60	6.62	-81.60
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000343089	1	31	-2.0	-86.55	327.63	6.95	-79.60
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000343090	1	31	-2.0	-90.40	325.96	6.64	-83.76
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000343091	0	32	-2.0	-101.04	324.87	4.25	-96.79
CC1=C(Cl)C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000343091	1	32	-2.0	-101.29	324.06	5.05	-96.24
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000343092	1	34	-2.0	-92.40	337.32	7.33	-85.07
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000343093	1	34	-2.0	-98.22	328.99	7.29	-90.93
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)=CC(C(=O)[O-])=C1F	REAL300000343094	1	34	-2.0	-99.88	339.99	7.19	-92.69
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)=CC(C(=O)[O-])=C1C	REAL300000343096	1	37	-2.0	-103.87	348.03	7.61	-96.26
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1Cl	REAL300000343097	0	31	-2.0	-89.97	326.90	6.68	-83.29
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000343099	0	34	-2.0	-100.51	340.46	7.25	-93.26
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)=C1	REAL300000343100	0	34	-2.0	-105.43	340.16	7.24	-98.19
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000343101	1	37	-2.0	-102.73	349.12	7.74	-94.99
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000343102	0	35	-2.0	-100.62	343.10	6.75	-93.87
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000343103	1	34	-2.0	-90.62	335.22	7.20	-83.42
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C)C(Cl)=C1	REAL300000343104	1	34	-2.0	-99.72	335.09	7.36	-92.36
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000343105	0	31	-2.0	-104.79	318.81	6.59	-98.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000343106	1	34	-2.0	-93.70	340.08	7.23	-86.47
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000343107	0	30	-2.0	-98.25	312.14	4.60	-93.65
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C)C(Cl)=C1	REAL300000343108	0	35	-2.0	-93.07	343.35	6.35	-86.72
CC1=C(Cl)C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000343109	0	28	-2.0	-89.23	315.29	5.53	-83.70
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000343110	0	34	-2.0	-95.33	337.27	6.55	-88.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=CC=C1F	REAL300000343111	0	33	-2.0	-106.44	319.01	7.19	-99.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1	REAL300000343112	0	33	-2.0	-96.81	314.46	7.17	-89.64
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343113	0	33	-2.0	-109.13	314.48	7.16	-101.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1N1C=NC=N1	REAL300000343114	0	37	-2.0	-113.17	342.62	6.96	-106.21
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1	REAL300000343115	0	37	-2.0	-95.90	345.93	8.45	-87.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000343116	0	36	-2.0	-110.00	330.49	7.70	-102.30
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343117	0	33	-2.0	-103.73	327.55	7.73	-96.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=CC=C1Cl	REAL300000343118	0	33	-2.0	-104.77	326.98	7.55	-97.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1C	REAL300000343119	0	39	-2.0	-110.94	347.14	8.51	-102.43
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343120	0	33	-2.0	-105.75	319.94	7.23	-98.52
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1	REAL300000343121	0	39	-2.0	-95.03	358.05	8.75	-86.28
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343122	0	30	-2.0	-103.69	307.66	6.21	-97.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1N1C=NC=N1	REAL300000343123	0	36	-2.0	-108.74	329.91	7.95	-100.79
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1	REAL300000343124	0	37	-2.0	-94.59	345.55	7.45	-87.14
CN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000343125	0	34	-2.0	-107.35	321.12	6.53	-100.82
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1N1C=NC=N1	REAL300000343126	0	37	-2.0	-109.42	338.26	6.00	-103.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343127	0	33	-2.0	-99.68	323.58	6.85	-92.83
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000343128	0	39	-2.0	-111.24	349.92	8.59	-102.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=CS1	REAL300000343129	0	30	-2.0	-104.72	306.13	6.19	-98.53
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000343130	0	37	-2.0	-114.69	341.75	7.23	-107.46
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343131	0	43	-2.0	-112.53	369.70	9.79	-102.74
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1N1C=NC=N1	REAL300000343132	0	42	-2.0	-110.23	368.37	9.17	-101.06
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1N1C=NC=N1	REAL300000343133	0	39	-2.0	-106.04	341.94	8.97	-97.07
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1N1C=NC=N1	REAL300000343134	0	40	-2.0	-114.03	364.91	7.73	-106.30
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343135	0	35	-3.0	-185.69	342.88	7.72	-177.97
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343136	0	40	-2.0	-112.94	358.72	9.07	-103.87
CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C(C(=O)[O-])O1	REAL300000343137	0	33	-2.0	-102.55	317.48	6.31	-96.24
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343138	0	37	-2.0	-110.29	343.40	6.26	-104.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C(Cl)C=C1F	REAL300000343139	0	33	-2.0	-100.65	332.06	7.76	-92.89
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=CC=C1OCC(=O)[O-]	REAL300000343140	0	40	-2.0	-95.03	365.63	8.15	-86.88
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1N1C=NC=N1	REAL300000343141	0	36	-2.0	-99.94	335.18	7.99	-91.95
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1F	REAL300000343142	0	37	-2.0	-94.29	351.77	7.51	-86.78
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000343143	0	40	-2.0	-115.64	363.61	8.14	-107.50
CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C(C(=O)[O-])S1	REAL300000343144	0	33	-2.0	-105.41	324.17	7.05	-98.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C(Cl)=C1	REAL300000343145	0	33	-2.0	-94.05	327.53	7.73	-86.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1F	REAL300000343146	0	33	-2.0	-96.43	318.99	7.20	-89.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)S1	REAL300000343147	0	30	-2.0	-98.55	306.74	6.29	-92.26
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343148	0	33	-2.0	-100.11	320.88	7.23	-92.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1F	REAL300000343149	0	36	-2.0	-107.29	340.22	7.86	-99.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C(F)=C1	REAL300000343150	0	33	-2.0	-96.37	319.92	7.24	-89.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1Cl	REAL300000343151	0	33	-2.0	-94.42	326.96	7.56	-86.86
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1N1C=NC=N1	REAL300000343152	0	36	-2.0	-101.45	343.92	8.37	-93.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=CC(F)=C1F	REAL300000343153	0	33	-2.0	-98.69	325.29	7.25	-91.44
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343154	0	35	-2.0	-94.55	342.66	7.83	-86.72
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343155	0	34	-2.0	-107.11	324.18	4.90	-102.21
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1	REAL300000343156	0	36	-2.0	-99.60	336.65	7.94	-91.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=CC(Cl)=C1F	REAL300000343157	0	33	-2.0	-100.02	335.18	7.69	-92.33
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1N1C=NC=N1	REAL300000343158	0	36	-2.0	-105.46	324.51	7.81	-97.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=CC(C(=O)[O-])=C1F	REAL300000343159	0	36	-2.0	-107.84	339.31	7.81	-100.03
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1N1C=NC=N1	REAL300000343160	0	36	-2.0	-96.55	329.88	7.95	-88.60
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=CC(C(=O)[O-])=C1C	REAL300000343161	0	39	-2.0	-112.17	347.35	8.23	-103.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=CC=C1[N+](=O)[O-]	REAL300000343162	0	35	-2.0	-107.46	341.04	8.25	-99.21
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343163	0	33	-2.0	-98.05	326.21	7.29	-90.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C(C)=C1C(=O)[O-]	REAL300000343164	0	39	-2.0	-109.76	348.00	8.57	-101.19
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000343165	0	36	-2.0	-108.07	339.79	7.87	-100.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1Cl	REAL300000343166	0	36	-2.0	-105.55	346.25	8.31	-97.24
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343167	0	36	-2.0	-114.20	339.52	7.85	-106.35
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000343168	0	39	-2.0	-110.56	348.71	8.35	-102.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1CC(=O)[O-]	REAL300000343169	0	40	-2.0	-111.66	364.94	7.29	-104.37
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CN=C1N1C=NC=N1	REAL300000343170	0	36	-2.0	-98.90	340.74	8.35	-90.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=CC(C(=O)[O-])=C1Cl	REAL300000343171	0	36	-2.0	-106.54	345.70	8.12	-98.42
CCN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000343172	0	37	-2.0	-108.61	342.50	7.39	-101.22
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000343173	0	36	-2.0	-102.66	344.34	8.14	-94.52
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=CC=C1C(=O)[O-]	REAL300000343174	0	36	-2.0	-98.41	334.53	7.81	-90.60
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1N1C=NC=N1	REAL300000343175	0	36	-2.0	-106.60	334.02	8.00	-98.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1[N+](=O)[O-]	REAL300000343176	0	35	-2.0	-115.73	338.21	9.02	-106.71
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1F	REAL300000343177	0	33	-2.0	-113.38	318.11	7.19	-106.19
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300000343178	0	36	-2.0	-101.14	335.64	7.74	-93.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=CC2=CC=CC=C21	REAL300000343179	0	39	-2.0	-117.30	355.50	9.29	-108.01
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C1	REAL300000343180	0	32	-2.0	-105.17	311.47	5.22	-99.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1N1C=NC=N1	REAL300000343181	0	37	-2.0	-100.29	342.67	6.97	-93.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)=C(Cl)O1	REAL300000343182	0	30	-2.0	-96.99	314.58	6.14	-90.85
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CN=C3N3C=NC=N3)C=C2)CC1	REAL300000343183	0	40	-2.0	-102.61	360.60	9.05	-93.56
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CN=C3N3C=NC=N3)C=C2C1	REAL300000343184	0	40	-2.0	-106.19	358.57	9.03	-97.16
CCC1=C(S(=O)(=O)[N-]C2=CC=CN=C2N2C=NC=N2)C=C(C(=O)[O-])O1	REAL300000343185	0	36	-2.0	-101.43	335.30	7.21	-94.22
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C(C(=O)[O-])=C1	REAL300000343186	0	44	-2.0	-107.44	377.98	5.26	-102.18
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C(C(=O)[O-])=C1	REAL300000343187	0	43	-2.0	-102.71	374.95	6.39	-96.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1N1CCSCC1	REAL300000343189	0	38	-2.0	-110.31	353.70	6.43	-103.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)S1	REAL300000343194	0	41	-2.0	-111.38	375.59	7.23	-104.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC=C1N1CCSCC1	REAL300000343197	0	41	-2.0	-116.86	367.27	7.48	-109.38
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)C=N1	REAL300000343198	0	41	-2.0	-109.18	366.31	5.13	-104.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2)=CC=C1N1CCSCC1	REAL300000343199	0	38	-2.0	-106.47	343.35	3.82	-102.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC=C1N1CCSCC1	REAL300000343200	0	40	-2.0	-103.11	363.18	5.70	-97.41
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)=C1	REAL300000343201	0	41	-2.0	-121.86	365.95	6.52	-115.34
CC1=NC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)=CN1C	REAL300000343202	0	44	-2.0	-121.26	385.30	6.32	-114.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)C=N1	REAL300000343203	0	44	-2.0	-109.48	387.85	5.99	-103.49
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C(C(=O)[O-])=C1	REAL300000343204	0	41	-2.0	-107.20	362.19	4.48	-102.72
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)=N1	REAL300000343207	0	41	-2.0	-117.60	366.61	4.97	-112.63
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C(C(=O)[O-])=C1	REAL300000343208	0	41	-2.0	-104.31	362.01	5.05	-99.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC=N2)=CC=C1N1CCSCC1	REAL300000343212	0	38	-2.0	-119.93	343.24	4.81	-115.12
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)SC=C1	REAL300000343214	0	41	-2.0	-112.97	372.53	7.06	-105.91
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)S1	REAL300000343224	0	40	-2.0	-108.11	370.30	5.25	-102.86
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)=C(C)O1	REAL300000343228	0	44	-2.0	-109.45	384.75	7.01	-102.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)O1	REAL300000343229	0	41	-2.0	-111.44	366.37	6.24	-105.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CO2)=CC=C1N1CCSCC1	REAL300000343230	0	38	-2.0	-110.26	344.45	5.42	-104.84
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C(C(=O)[O-])=C1	REAL300000343231	0	40	-2.0	-99.29	355.19	3.88	-95.41
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)C(N)=NO1	REAL300000343235	0	42	-2.0	-102.31	368.20	4.83	-97.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)C=N1	REAL300000343237	1	43	-2.0	-109.36	378.38	6.26	-103.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000343240	0	44	-2.0	-105.19	378.65	5.89	-99.30
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)O1	REAL300000343241	0	39	-2.0	-103.57	365.70	5.97	-97.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2)=CC=C1N1CCSCC1	REAL300000343242	1	38	-2.0	-108.34	352.88	6.33	-102.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC=C2)=CC=C1N1CCSCC1	REAL300000343243	0	38	-2.0	-108.77	344.31	5.31	-103.46
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)=C1	REAL300000343244	0	41	-2.0	-110.45	375.34	7.08	-103.37
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)=C1	REAL300000343245	0	40	-2.0	-104.59	370.26	5.72	-98.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NC=CN2)=CC=C1N1CCSCC1	REAL300000343248	0	38	-2.0	-112.23	343.39	4.01	-108.22
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)C=NN1C	REAL300000343251	0	44	-2.0	-109.35	382.41	5.65	-103.70
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C(C(=O)[O-])=C1	REAL300000343252	0	44	-2.0	-110.19	385.15	5.78	-104.41
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C(C(=O)[O-])=C1	REAL300000343255	0	40	-2.0	-102.61	360.53	5.33	-97.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC=C1N1CCSCC1	REAL300000343256	0	40	-2.0	-114.70	362.28	5.60	-109.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC=C1N1CCSCC1	REAL300000343258	1	40	-2.0	-102.04	363.20	5.58	-96.46
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)N1C	REAL300000343259	0	44	-2.0	-111.48	381.91	6.44	-105.04
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)C=N1	REAL300000343260	1	41	-2.0	-104.62	366.98	4.77	-99.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC=C1N1CCSCC1	REAL300000343261	0	37	-2.0	-104.31	348.51	5.13	-99.18
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)N=N1	REAL300000343262	0	40	-2.0	-117.11	360.72	3.75	-113.36
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C(C(=O)[O-])=C1	REAL300000343263	0	43	-2.0	-100.09	375.69	4.76	-95.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)N=CN1	REAL300000343264	0	41	-2.0	-121.79	362.15	5.45	-116.34
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)=C1	REAL300000343266	0	44	-2.0	-105.17	383.95	5.64	-99.53
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)O1	REAL300000343268	0	44	-2.0	-111.34	387.85	7.03	-104.31
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)=N1	REAL300000343269	0	43	-2.0	-110.27	382.62	4.28	-105.99
CC1=COC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)=C1	REAL300000343270	0	41	-2.0	-110.61	366.36	6.09	-104.52
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)OC=C1	REAL300000343271	0	39	-2.0	-111.72	363.62	5.90	-105.82
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C(=O)[O-])=C2)C=CO1	REAL300000343272	0	39	-2.0	-111.98	364.73	5.84	-106.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC=C1N1CCSCC1	REAL300000343274	0	37	-2.0	-102.45	347.42	5.03	-97.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC=C1N1CCSCC1	REAL300000343275	0	37	-2.0	-106.83	348.35	4.54	-102.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)=CC=C1F	REAL300000343276	1	42	-2.0	-107.26	380.88	1.57	-105.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)C=C1	REAL300000343277	1	42	-2.0	-94.21	376.32	1.56	-92.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)=C1	REAL300000343278	1	42	-2.0	-106.07	376.36	1.55	-104.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)C=C1C(=O)[O-]	REAL300000343279	1	45	-2.0	-108.33	396.43	2.19	-106.14
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)=C1	REAL300000343280	0	42	-2.0	-107.30	381.82	1.61	-105.69
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)=C1	REAL300000343281	0	39	-2.0	-103.91	369.53	0.57	-103.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCCO)C=C1	REAL300000343282	1	45	-2.0	-106.65	391.78	2.34	-104.31
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)C=C1C(=O)[O-]	REAL300000343283	0	43	-2.0	-104.57	382.99	0.91	-103.66
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)=C1	REAL300000343284	0	42	-2.0	-96.85	385.46	1.23	-95.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)=CS1	REAL300000343285	0	39	-2.0	-105.39	367.99	0.58	-104.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)C=C(C(=O)[O-])O1	REAL300000343286	0	42	-2.0	-100.29	379.38	0.69	-99.60
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)C=C(C(=O)[O-])S1	REAL300000343287	0	42	-2.0	-103.39	384.97	1.45	-101.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)C=C1F	REAL300000343288	1	42	-2.0	-93.88	380.88	1.58	-92.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)S1	REAL300000343289	0	39	-2.0	-95.78	368.61	0.67	-95.11
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)=C1	REAL300000343290	1	42	-2.0	-97.15	382.75	1.62	-95.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)C(F)=C1	REAL300000343291	0	42	-2.0	-96.56	381.81	1.61	-94.95
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)=C1	REAL300000343292	0	43	-2.0	-105.55	386.06	-0.72	-106.27
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)NCCCO)C=C2)=C1	REAL300000343292	1	43	-2.0	-110.20	385.28	0.06	-110.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)C=C1	REAL300000343293	1	45	-2.0	-97.21	398.51	2.34	-94.87
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCCO)C=C1	REAL300000343294	1	45	-2.0	-103.79	389.63	2.31	-101.48
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCCO)C=C1	REAL300000343295	1	45	-2.0	-97.81	391.76	2.32	-95.49
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)C=C1C(=O)[O-]	REAL300000343296	0	46	-2.0	-105.84	404.37	1.76	-104.08
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)=CC=C1C(=O)[O-]	REAL300000343297	1	45	-2.0	-97.41	392.35	2.09	-95.32
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)=CC=C1	REAL300000343298	0	42	-2.0	-110.34	380.00	1.59	-108.75
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)=C1	REAL300000343299	0	41	-2.0	-107.20	372.56	-0.32	-107.52
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCO)C=C2)C=C(C(=O)[O-])O1	REAL300000343300	0	45	-2.0	-100.11	398.47	1.55	-98.56
CC(O)CN(C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000343328	0	41	-2.0	-112.88	354.19	6.23	-106.65
CC(O)CN(C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000343353	0	39	-2.0	-114.42	329.45	3.63	-110.79
CCOCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000343387	0	42	-2.0	-98.54	392.19	6.20	-92.34
CCOCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000343388	0	42	-2.0	-105.33	392.21	6.19	-99.14
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300000343389	1	33	-2.0	-92.95	332.93	0.52	-92.43
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000343390	1	33	-2.0	-105.47	333.00	0.50	-104.97
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000343391	0	30	-2.0	-99.83	326.19	-0.49	-100.32
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000343392	0	34	-2.0	-103.94	339.64	-0.16	-104.10
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000343393	0	30	-2.0	-100.03	324.60	-0.45	-100.48
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(S(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000343394	0	33	-2.0	-99.53	336.00	-0.37	-99.90
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000343395	0	30	-2.0	-94.45	325.27	-0.37	-94.82
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000343396	0	32	-2.0	-102.54	329.17	-1.35	-103.89
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000343397	0	40	-2.0	-84.81	362.93	-0.18	-84.99
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000343398	0	33	-2.0	-99.50	311.02	1.26	-98.24
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343399	0	41	-2.0	-101.28	366.09	2.34	-98.94
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000343400	0	33	-2.0	-89.96	306.46	1.24	-88.72
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000343401	0	33	-2.0	-101.33	306.47	1.23	-100.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343402	0	37	-2.0	-106.82	334.61	1.04	-105.78
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000343403	0	33	-2.0	-97.02	322.74	1.72	-95.30
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000343404	0	37	-2.0	-90.39	337.92	2.52	-87.87
CC1=CC=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C1C(=O)[O-]	REAL300000343405	0	36	-2.0	-102.31	322.51	1.77	-100.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NC(C)C)=C1C	REAL300000343406	0	39	-2.0	-104.70	338.87	2.53	-102.17
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000343407	0	33	-2.0	-98.63	311.95	1.29	-97.34
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000343408	0	39	-2.0	-89.49	350.04	2.82	-86.67
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000343409	0	30	-2.0	-95.95	299.65	0.25	-95.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343410	0	36	-2.0	-103.03	321.90	2.01	-101.02
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000343411	0	37	-2.0	-88.98	337.54	1.51	-87.47
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000343412	0	44	-2.0	-85.66	383.32	2.29	-83.37
CC(C)NC(=O)N[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000343413	0	30	-2.0	-93.82	316.65	1.02	-92.80
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000343413	1	29	-3.0	-201.40	314.67	0.08	-201.32
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000343414	0	34	-2.0	-99.93	313.12	0.59	-99.34
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343415	0	37	-2.0	-103.51	330.68	0.04	-103.47
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)NC(C)C)=C1	REAL300000343416	0	33	-2.0	-92.14	315.59	0.92	-91.22
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C1C(=O)[O-]	REAL300000343417	0	39	-2.0	-104.11	337.93	2.55	-101.56
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000343418	0	30	-2.0	-97.38	298.12	0.27	-97.11
COC1=CC(S(=O)(=O)[N-]NC(=O)NC(C)C)=CC(C(=O)[O-])=C1OC	REAL300000343419	0	41	-2.0	-101.73	364.80	1.04	-100.69
COC1=CC=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C1C(=O)[O-]	REAL300000343420	0	37	-2.0	-107.33	333.76	1.30	-106.03
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000343421	0	43	-2.0	-106.26	361.73	3.76	-102.50
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000343422	0	42	-2.0	-104.73	360.37	3.21	-101.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343423	0	39	-2.0	-101.92	334.70	2.78	-99.14
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343424	0	40	-2.0	-106.62	356.91	1.80	-104.82
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000343425	0	35	-3.0	-172.60	334.89	1.79	-170.81
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000343426	0	40	-2.0	-106.41	350.72	3.12	-103.29
CC1=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C(C(=O)[O-])O1	REAL300000343427	0	33	-2.0	-96.35	309.48	0.37	-95.98
CC1=C(S(=O)(=O)[N-][N-]C(=O)NC(C)C)C=C(C(=O)[O-])O1	REAL300000343427	1	32	-3.0	-203.41	307.47	-0.55	-203.96
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000343428	0	39	-2.0	-105.90	348.65	1.00	-104.90
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)NC(C)C)=C1	REAL300000343429	0	37	-2.0	-101.30	335.38	0.33	-100.97
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000343430	0	41	-2.0	-89.94	360.10	1.85	-88.09
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000343431	0	33	-2.0	-91.60	334.15	2.08	-89.52
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000343431	1	32	-3.0	-203.65	332.14	1.17	-202.48
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000343432	0	37	-2.0	-87.78	353.59	2.05	-85.73
CC1=CC(S(=O)(=O)[N-]NC(=O)NC(C)C)=CC=C1OCC(=O)[O-]	REAL300000343433	0	40	-2.0	-89.39	357.63	2.22	-87.17
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000343434	0	43	-2.0	-89.22	386.22	2.48	-86.74
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343435	0	36	-2.0	-94.08	327.18	2.04	-92.04
CC1=CC(S(=O)(=O)[N-]NC(=O)NC(C)C)=CC=C1OCCCC(=O)[O-]	REAL300000343436	0	46	-2.0	-89.95	400.07	3.15	-86.80
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000343437	0	37	-2.0	-88.85	343.79	1.58	-87.27
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000343438	0	43	-2.0	-88.72	396.03	2.97	-85.75
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C1C(=O)[O-]	REAL300000343439	0	40	-2.0	-107.84	355.62	2.20	-105.64
CC1=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C(C(=O)[O-])S1	REAL300000343440	0	33	-2.0	-99.77	315.07	1.13	-98.64
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000343441	0	33	-2.0	-91.87	334.69	2.24	-89.63
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000343441	1	32	-3.0	-201.45	332.68	1.30	-200.15
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000343442	0	33	-2.0	-87.74	319.52	1.79	-85.95
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000343443	0	33	-2.0	-87.47	322.87	1.92	-85.55
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000343444	0	33	-2.0	-89.82	310.99	1.27	-88.55
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000343445	0	30	-2.0	-91.21	298.74	0.36	-90.85
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000343445	1	29	-3.0	-200.24	296.73	-0.56	-200.80
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000343446	0	33	-2.0	-92.75	312.89	1.30	-91.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NC(C)C)=C1F	REAL300000343447	0	36	-2.0	-99.90	332.23	1.93	-97.97
COC1=CC(S(=O)(=O)[N-]NC(=O)NC(C)C)=C(Cl)C=C1C(=O)[O-]	REAL300000343448	0	37	-2.0	-92.25	346.78	1.85	-90.40
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000343449	0	33	-2.0	-88.85	311.93	1.30	-87.55
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000343450	0	33	-2.0	-87.66	318.97	1.63	-86.03
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343451	0	36	-2.0	-95.64	335.91	2.43	-93.21
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343452	0	36	-2.0	-91.23	337.30	2.45	-88.78
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000343453	0	41	-2.0	-87.65	370.22	2.64	-85.01
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000343454	0	33	-2.0	-87.22	322.70	1.73	-85.49
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000343455	0	35	-2.0	-87.19	334.67	1.90	-85.29
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000343455	1	34	-3.0	-198.08	332.66	0.98	-197.10
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000343456	0	34	-2.0	-102.16	316.19	-1.04	-103.20
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000343456	1	33	-3.0	-189.81	312.62	-0.17	-189.98
CC1=C(Br)C=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C1C(=O)[O-]	REAL300000343457	0	36	-2.0	-95.21	340.37	2.29	-92.92
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000343458	0	36	-2.0	-93.42	328.64	2.01	-91.41
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000343459	0	33	-2.0	-92.86	327.19	1.76	-91.10
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000343459	1	32	-3.0	-203.16	325.17	0.85	-202.31
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343460	0	36	-2.0	-97.10	316.01	1.84	-95.26
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343461	0	36	-2.0	-96.10	339.94	2.51	-93.59
CC1=CC(S(=O)(=O)[N-]NC(=O)NC(C)C)=CC(C(=O)[O-])=C1F	REAL300000343462	0	36	-2.0	-100.70	331.31	1.88	-98.82
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343463	0	36	-2.0	-90.48	321.47	1.95	-88.53
CC1=CC(S(=O)(=O)[N-]NC(=O)NC(C)C)=CC(C(=O)[O-])=C1C	REAL300000343464	0	39	-2.0	-105.27	343.27	2.40	-102.87
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000343465	0	35	-2.0	-100.64	333.04	2.33	-98.31
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000343465	1	34	-3.0	-208.75	331.01	1.40	-207.35
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000343466	0	33	-2.0	-90.63	318.23	1.36	-89.27
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000343466	1	32	-3.0	-202.54	316.22	0.43	-202.11
CC(C)NC(=O)N[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000343467	0	30	-2.0	-88.67	319.05	0.89	-87.78
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000343467	1	29	-3.0	-198.29	317.04	-0.03	-198.32
CC1=CC=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C(C)=C1C(=O)[O-]	REAL300000343468	0	39	-2.0	-101.18	339.86	2.56	-98.62
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C1C(=O)[O-]	REAL300000343469	0	36	-2.0	-99.58	327.95	1.83	-97.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NC(C)C)=C1Cl	REAL300000343470	0	36	-2.0	-99.34	338.23	2.36	-96.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)NC(C)C)=C1	REAL300000343471	0	36	-2.0	-104.69	331.51	1.92	-102.77
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C1C(=O)[O-]	REAL300000343472	0	39	-2.0	-102.84	340.75	2.42	-100.42
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000343473	0	33	-2.0	-94.93	327.41	1.95	-92.98
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000343473	1	32	-3.0	-201.42	325.40	1.02	-200.40
COC1=CC=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C1CC(=O)[O-]	REAL300000343474	0	40	-2.0	-102.85	356.95	1.36	-101.49
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343475	0	36	-2.0	-90.84	332.74	2.34	-88.50
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000343476	0	36	-2.0	-86.84	336.59	2.03	-84.81
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000343476	1	35	-3.0	-193.66	334.57	1.13	-192.53
CC1=CC(S(=O)(=O)[N-]NC(=O)NC(C)C)=CC(C(=O)[O-])=C1Cl	REAL300000343477	0	36	-2.0	-99.13	337.69	2.19	-96.94
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000343478	0	33	-2.0	-94.37	327.78	1.84	-92.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NC(C)C)=C1Br	REAL300000343479	0	36	-2.0	-99.17	341.05	2.49	-96.68
CCN1C=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C1C(=O)[O-]	REAL300000343480	0	37	-2.0	-101.18	334.48	1.44	-99.74
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C(C)=C1CC(=O)[O-]	REAL300000343481	0	45	-2.0	-100.00	370.87	4.06	-95.94
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000343482	0	32	-3.0	-199.05	330.06	0.86	-198.19
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000343482	1	33	-2.0	-89.87	332.07	1.79	-88.08
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000343483	0	37	-2.0	-88.72	351.17	1.53	-87.19
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000343483	1	36	-3.0	-198.14	349.16	0.61	-197.53
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C1C(=O)[O-]	REAL300000343484	0	36	-2.0	-94.80	336.35	2.20	-92.60
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C1C(=O)[O-]	REAL300000343485	0	37	-2.0	-103.52	346.79	1.86	-101.66
CC1=CC(S(=O)(=O)[N-]NC(=O)NC(C)C)=CC=C1C(=O)[O-]	REAL300000343486	0	36	-2.0	-89.89	322.48	1.77	-88.12
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000343487	0	38	-2.0	-93.29	347.19	3.30	-89.99
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000343487	1	37	-3.0	-205.86	347.73	2.36	-203.50
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343488	0	36	-2.0	-101.08	326.42	2.05	-99.03
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000343489	0	35	-2.0	-107.16	330.20	3.10	-104.06
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000343489	1	34	-3.0	-227.67	328.19	2.15	-225.52
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000343490	0	33	-2.0	-104.10	310.13	1.26	-102.84
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C1C(=O)[O-]	REAL300000343491	0	36	-2.0	-93.19	327.65	1.80	-91.39
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000343492	0	39	-2.0	-108.70	347.51	3.35	-105.35
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000343493	0	32	-2.0	-99.10	303.46	-0.72	-99.82
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)NC(C)C	REAL300000343494	0	37	-2.0	-93.65	334.67	1.04	-92.61
CC(C)NC(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000343495	0	30	-2.0	-90.15	306.61	0.20	-89.95
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000343495	1	29	-3.0	-196.81	304.60	-0.72	-197.53
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000343496	0	37	-2.0	-97.23	350.26	1.78	-95.45
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000343496	1	36	-3.0	-209.50	348.25	0.86	-208.64
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000343497	0	36	-2.0	-92.26	349.81	-1.73	-93.99
CC(C)NC(=O)[N-][N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000343497	1	35	-3.0	-206.30	347.79	-2.65	-208.95
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000343498	0	40	-2.0	-94.92	350.45	3.06	-91.86
CC(C)NC(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000343499	0	40	-2.0	-97.98	351.91	3.12	-94.86
CCC1=C(S(=O)(=O)[N-]NC(=O)NC(C)C)C=C(C(=O)[O-])O1	REAL300000343500	0	36	-2.0	-96.19	328.62	1.16	-95.03
COCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000343501	0	39	-2.0	-97.75	370.34	5.24	-92.51
COCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000343502	0	39	-2.0	-105.11	370.35	5.23	-99.88
COCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000343503	0	42	-2.0	-111.30	386.37	5.75	-105.55
COCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000343504	0	36	-2.0	-105.21	363.54	4.24	-100.97
COCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000343505	0	42	-2.0	-110.65	385.78	5.99	-104.66
COCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000343506	0	40	-2.0	-109.34	377.00	4.57	-104.77
COCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000343507	0	36	-2.0	-101.19	362.00	4.26	-96.93
COCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000343508	0	39	-2.0	-99.17	373.35	4.36	-94.81
COCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000343509	0	36	-2.0	-99.52	362.61	4.36	-95.16
COCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000343510	0	42	-2.0	-102.43	392.53	6.00	-96.43
COCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000343511	0	42	-2.0	-103.49	380.39	5.86	-97.63
COCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000343512	0	42	-2.0	-97.56	385.76	6.00	-91.56
COCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000343513	0	42	-2.0	-98.03	386.36	5.77	-92.26
COCCOC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000343514	0	38	-2.0	-106.79	367.34	3.29	-103.50
CC1=CC(C(=O)N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000343515	1	45	-2.0	-99.86	381.34	6.78	-93.08
CC1=CC(C(=O)N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000343516	1	45	-2.0	-112.33	381.35	6.77	-105.56
CC1=CC(C(=O)N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000343517	0	42	-2.0	-106.52	374.53	5.79	-100.73
CC1=CC(C(=O)N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000343518	0	46	-2.0	-110.59	388.00	6.12	-104.47
CC1=CC(C(=O)N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000343519	0	42	-2.0	-108.23	373.00	5.81	-102.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CCCC3)C=C2C)C=C(C(=O)[O-])O1	REAL300000343520	0	45	-2.0	-106.90	384.35	5.92	-100.98
CC1=CC(C(=O)N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000343521	0	42	-2.0	-101.53	373.62	5.89	-95.64
CC1=CC(C(=O)N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000343522	0	44	-2.0	-110.09	377.57	4.89	-105.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC3CCCCC3)=C2)C=C1	REAL300000343523	1	48	-2.0	-97.06	404.49	8.39	-88.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(COC3CCCCC3)=C2)=C1	REAL300000343524	1	48	-2.0	-109.43	404.49	8.38	-101.05
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(COC3CCCCC3)=C2)=C1	REAL300000343525	0	45	-2.0	-103.74	397.68	7.40	-96.34
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(COC3CCCCC3)=C2)C=C1C(=O)[O-]	REAL300000343526	0	49	-2.0	-107.90	411.14	7.73	-100.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(COC3CCCCC3)=C2)=CS1	REAL300000343527	0	45	-2.0	-105.12	396.14	7.42	-97.70
CC1=C(S(=O)(=O)[N-]C2=CC=CC(COC3CCCCC3)=C2)C=C(C(=O)[O-])O1	REAL300000343528	0	48	-2.0	-103.01	407.50	7.52	-95.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC3CCCCC3)=C2)S1	REAL300000343529	0	45	-2.0	-99.04	396.76	7.51	-91.53
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(COC3CCCCC3)=C2)=C1	REAL300000343530	0	47	-2.0	-107.37	400.71	6.51	-100.86
C#CC1=CC=CC(N(CC(=O)NC)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000343548	0	41	-2.0	-114.46	368.34	4.63	-109.83
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000343558	0	33	-2.0	-106.89	331.64	4.29	-102.60
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000343559	0	33	-2.0	-97.54	327.10	4.27	-93.27
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000343560	0	33	-2.0	-108.96	327.11	4.26	-104.70
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C#N)C=C1	REAL300000343561	0	37	-2.0	-112.73	355.26	4.08	-108.65
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000343562	0	37	-2.0	-96.67	358.56	5.55	-91.12
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C=C1C(=O)[O-]	REAL300000343563	0	36	-2.0	-110.00	343.15	4.80	-105.20
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000343564	0	33	-2.0	-103.55	340.18	4.82	-98.73
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000343565	0	33	-2.0	-105.12	339.62	4.65	-100.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)=C1C	REAL300000343566	0	39	-2.0	-110.03	359.51	5.56	-104.47
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000343567	0	33	-2.0	-104.91	332.59	4.32	-100.59
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000343568	0	39	-2.0	-95.55	370.68	5.85	-89.70
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000343569	0	30	-2.0	-103.65	320.30	3.28	-100.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C#N)C=C1	REAL300000343570	0	36	-2.0	-108.18	342.54	5.03	-103.15
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000343571	0	37	-2.0	-95.44	358.18	4.54	-90.90
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C=C1C(=O)[O-]	REAL300000343572	0	34	-2.0	-107.94	333.77	3.62	-104.32
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C#N)C=C1	REAL300000343573	0	37	-2.0	-108.94	351.32	3.07	-105.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)=C1	REAL300000343574	0	33	-2.0	-100.07	336.23	3.95	-96.12
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C=C1C(=O)[O-]	REAL300000343575	0	39	-2.0	-109.56	358.18	5.53	-104.03
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000343576	0	30	-2.0	-105.10	318.76	3.30	-101.80
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C=C1C(=O)[O-]	REAL300000343577	0	37	-2.0	-114.90	354.40	4.33	-110.57
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1	REAL300000343578	0	43	-2.0	-111.79	382.35	6.80	-104.99
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C#N)C=C1	REAL300000343579	0	42	-2.0	-110.04	381.02	6.26	-103.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C#N)C=C1	REAL300000343580	0	39	-2.0	-106.02	357.25	5.78	-100.24
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C#N)C=C1	REAL300000343581	0	40	-2.0	-114.35	377.55	4.84	-109.51
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000343582	0	35	-3.0	-184.62	355.53	4.83	-179.79
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000343583	0	40	-2.0	-112.17	371.36	6.14	-106.03
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C=C(C(=O)[O-])O1	REAL300000343584	0	33	-2.0	-102.57	330.12	3.41	-99.16
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)=C1	REAL300000343585	0	37	-2.0	-112.04	356.02	3.37	-108.67
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000343586	0	33	-2.0	-100.71	344.70	4.84	-95.87
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)=CC=C1OCC(=O)[O-]	REAL300000343587	0	40	-2.0	-95.87	378.27	5.26	-90.61
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C#N)C=C1	REAL300000343588	0	36	-2.0	-99.62	347.83	5.06	-94.56
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000343589	0	37	-2.0	-95.21	364.41	4.60	-90.61
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C=C1C(=O)[O-]	REAL300000343590	0	40	-2.0	-115.61	376.25	5.23	-110.38
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C=C(C(=O)[O-])S1	REAL300000343591	0	33	-2.0	-105.26	335.71	4.17	-101.09
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000343592	0	33	-2.0	-95.14	340.16	4.82	-90.32
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000343593	0	33	-2.0	-97.36	331.64	4.31	-93.05
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000343594	0	30	-2.0	-98.93	319.38	3.40	-95.53
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000343595	0	33	-2.0	-100.27	333.52	4.32	-95.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)=C1F	REAL300000343596	0	36	-2.0	-106.27	352.87	4.97	-101.30
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000343597	0	33	-2.0	-96.90	332.60	4.34	-92.56
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000343598	0	33	-2.0	-95.19	339.61	4.67	-90.52
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C#N)C=C1	REAL300000343599	0	36	-2.0	-101.13	356.57	5.45	-95.68
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000343600	0	33	-2.0	-98.96	337.94	4.36	-94.60
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000343601	0	35	-2.0	-94.70	355.30	4.94	-89.76
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000343602	0	34	-2.0	-106.41	336.83	1.99	-104.42
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000343602	1	33	-3.0	-204.10	333.26	2.86	-201.24
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000343603	0	36	-2.0	-99.51	349.28	5.04	-94.47
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000343604	0	33	-2.0	-100.20	347.82	4.79	-95.41
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C#N)C=C1	REAL300000343605	0	36	-2.0	-106.59	336.66	4.87	-101.72
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)=CC(C(=O)[O-])=C1F	REAL300000343606	0	36	-2.0	-108.28	351.96	4.92	-103.36
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C#N)C=C1	REAL300000343607	0	36	-2.0	-97.45	342.52	5.01	-92.44
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)=CC(C(=O)[O-])=C1C	REAL300000343608	0	39	-2.0	-113.43	363.91	5.43	-108.00
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000343609	0	35	-2.0	-108.25	353.69	5.36	-102.89
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000343610	0	33	-2.0	-97.30	338.87	4.39	-92.91
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C(C)=C1C(=O)[O-]	REAL300000343611	0	39	-2.0	-110.81	361.59	5.65	-105.16
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C=C1C(=O)[O-]	REAL300000343612	0	36	-2.0	-105.88	348.59	4.87	-101.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)=C1Cl	REAL300000343613	0	36	-2.0	-105.22	358.88	5.39	-99.83
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)=C1	REAL300000343614	0	36	-2.0	-115.15	352.13	4.96	-110.19
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C=C1C(=O)[O-]	REAL300000343615	0	39	-2.0	-110.55	361.35	5.45	-105.10
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C=C1CC(=O)[O-]	REAL300000343616	0	40	-2.0	-112.96	377.59	4.40	-108.56
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C#N)C=C1	REAL300000343617	0	36	-2.0	-99.75	353.38	5.37	-94.38
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000343618	0	36	-2.0	-106.78	358.35	5.22	-101.56
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C=C1C(=O)[O-]	REAL300000343619	0	37	-2.0	-109.21	355.13	4.49	-104.72
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C=C1C(=O)[O-]	REAL300000343620	0	36	-2.0	-103.86	360.85	5.33	-98.53
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)=CC=C1C(=O)[O-]	REAL300000343621	0	36	-2.0	-97.62	343.12	4.81	-92.81
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C#N)C=C1	REAL300000343622	0	36	-2.0	-105.96	347.07	5.07	-100.89
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000343623	0	35	-2.0	-117.37	350.84	6.12	-111.25
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000343624	0	33	-2.0	-114.42	330.77	4.30	-110.12
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C=C1C(=O)[O-]	REAL300000343625	0	36	-2.0	-102.08	352.05	4.94	-97.14
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000343626	0	39	-2.0	-116.94	368.15	6.39	-110.55
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000343627	0	32	-2.0	-104.46	324.10	2.32	-102.14
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C#N)C=C1	REAL300000343628	0	37	-2.0	-101.24	355.31	4.08	-97.16
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000343629	0	30	-2.0	-97.09	327.26	3.24	-93.85
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000343630	0	40	-2.0	-102.84	373.24	6.14	-96.70
N#CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000343631	0	40	-2.0	-108.31	372.56	6.15	-102.16
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C#N)C=C2)C=C(C(=O)[O-])O1	REAL300000343632	0	36	-2.0	-102.12	349.24	4.19	-97.93
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000343635	1	44	-2.0	-105.53	390.50	9.13	-96.40
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1	REAL300000343637	0	44	-2.0	-103.01	395.98	9.19	-93.82
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1	REAL300000343638	0	41	-2.0	-101.03	376.21	7.87	-93.16
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C)=C1	REAL300000343639	1	47	-2.0	-108.04	398.46	9.64	-98.40
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000343640	1	45	-2.0	-105.10	389.67	8.20	-96.90
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=C1	REAL300000343641	0	44	-2.0	-97.03	392.13	8.54	-88.49
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1	REAL300000343642	0	41	-2.0	-102.31	374.68	7.89	-94.42
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000343643	0	44	-2.0	-99.63	393.51	8.27	-91.36
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300000343644	1	44	-2.0	-103.23	399.12	9.02	-94.21
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=C1	REAL300000343645	1	44	-2.0	-92.59	395.03	9.17	-83.42
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1	REAL300000343646	0	41	-2.0	-95.84	375.29	7.98	-87.86
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000343647	1	44	-2.0	-97.50	389.44	8.92	-88.58
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300000343648	0	44	-2.0	-92.44	395.96	9.20	-83.24
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1	REAL300000343649	0	45	-2.0	-106.95	392.73	6.57	-100.38
CCC(C)SC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1	REAL300000343649	1	45	-2.0	-104.74	392.69	7.65	-97.09
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)=C1	REAL300000343650	1	47	-2.0	-96.71	412.68	9.92	-86.79
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C)=C1	REAL300000343653	1	48	-2.0	-105.06	418.52	9.34	-95.72
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000343655	0	44	-2.0	-110.50	386.66	8.88	-101.62
CCC(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1	REAL300000343656	0	43	-2.0	-104.41	379.24	6.97	-97.44
CCC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)CC)C=C2C)C=C(C(=O)[O-])O1	REAL300000343657	0	47	-2.0	-100.58	405.15	8.84	-91.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)=CC=C1F	REAL300000343658	1	41	-2.0	-104.24	360.59	3.94	-100.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)C=C1	REAL300000343659	1	41	-2.0	-94.15	356.02	3.91	-90.24
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)=C1	REAL300000343660	1	41	-2.0	-106.79	356.06	3.90	-102.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)C=C1C(=O)[O-]	REAL300000343661	1	44	-2.0	-107.90	372.05	4.44	-103.46
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)=C1	REAL300000343662	0	41	-2.0	-104.17	361.54	3.97	-100.20
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)=C1	REAL300000343663	0	38	-2.0	-100.94	349.24	2.92	-98.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N2CCOCC2)=C1	REAL300000343664	1	44	-2.0	-108.33	371.49	4.69	-103.64
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)C=C1C(=O)[O-]	REAL300000343665	0	42	-2.0	-104.80	362.68	3.25	-101.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)=CS1	REAL300000343666	0	38	-2.0	-102.46	347.68	2.94	-99.52
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)C=C(C(=O)[O-])O1	REAL300000343667	0	41	-2.0	-100.85	359.07	3.04	-97.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)C=C1F	REAL300000343668	1	41	-2.0	-93.60	360.55	3.95	-89.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)S1	REAL300000343669	0	38	-2.0	-95.73	348.33	3.04	-92.69
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)=C1	REAL300000343670	0	41	-2.0	-97.53	362.46	3.97	-93.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)C(F)=C1	REAL300000343671	0	41	-2.0	-93.45	361.52	3.98	-89.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)=C1	REAL300000343672	0	42	-2.0	-107.17	365.77	1.62	-105.55
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=CC(N3CCOCC3)=C2)=C1	REAL300000343672	1	42	-2.0	-104.53	354.80	2.50	-102.03
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)C=C1	REAL300000343673	1	44	-2.0	-97.99	378.23	4.69	-93.30
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(N2CCOCC2)=C1	REAL300000343674	1	44	-2.0	-102.69	366.10	4.54	-98.15
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(N2CCOCC2)=C1	REAL300000343675	1	44	-2.0	-94.59	371.47	4.68	-89.91
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)C=C1C(=O)[O-]	REAL300000343676	0	45	-2.0	-106.09	383.97	4.11	-101.98
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)=CC=C1C(=O)[O-]	REAL300000343677	1	44	-2.0	-94.25	372.05	4.45	-89.80
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)=C1F	REAL300000343678	0	41	-2.0	-110.50	359.69	3.94	-106.56
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)=C1	REAL300000343679	0	40	-2.0	-104.13	353.01	1.96	-102.17
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCOCC3)=C2)C=C(C(=O)[O-])O1	REAL300000343680	0	44	-2.0	-100.94	378.19	3.89	-97.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)=CC=C1F	REAL300000343681	0	40	-2.0	-115.57	374.95	6.65	-108.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)C=C1	REAL300000343682	0	40	-2.0	-105.20	370.40	6.63	-98.57
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)=C1	REAL300000343683	0	40	-2.0	-118.43	370.41	6.62	-111.81
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)C=C1	REAL300000343684	0	44	-2.0	-104.75	401.88	7.92	-96.83
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300000343685	0	43	-2.0	-119.41	386.43	7.16	-112.25
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)=C1	REAL300000343686	0	40	-2.0	-115.96	375.89	6.69	-109.27
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)=C1	REAL300000343687	0	37	-2.0	-112.32	363.60	5.65	-106.67
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC2=CC=NC=C2)C=C1	REAL300000343688	0	43	-2.0	-119.70	385.84	7.39	-112.31
CN1C=C(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300000343689	0	41	-2.0	-116.58	377.06	5.97	-110.61
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)=C1	REAL300000343690	0	40	-2.0	-108.25	379.52	6.31	-101.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)=CS1	REAL300000343691	0	37	-2.0	-113.79	362.07	5.65	-108.14
CC1=C(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000343692	0	40	-2.0	-112.03	373.42	5.77	-106.26
CC1=C(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000343693	0	40	-2.0	-115.62	380.10	6.51	-109.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)C=C1F	REAL300000343694	0	40	-2.0	-104.54	374.95	6.66	-97.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)S1	REAL300000343695	0	37	-2.0	-106.99	362.67	5.75	-101.24
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)=C1	REAL300000343696	0	40	-2.0	-108.86	376.82	6.69	-102.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)C(F)=C1	REAL300000343697	0	40	-2.0	-104.57	375.88	6.69	-97.88
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)=C1	REAL300000343698	0	41	-2.0	-118.52	380.13	4.34	-114.18
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)C=C1	REAL300000343699	0	43	-2.0	-109.28	392.60	7.41	-101.87
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CCC2=CC=NC=C2)C=C1	REAL300000343700	0	43	-2.0	-113.93	380.48	7.25	-106.68
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCC2=CC=NC=C2)C=C1	REAL300000343701	0	43	-2.0	-105.46	385.82	7.38	-98.08
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300000343702	0	44	-2.0	-117.85	398.44	6.84	-111.01
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300000343703	0	43	-2.0	-105.40	386.42	7.17	-98.23
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)=C1F	REAL300000343704	0	40	-2.0	-121.91	374.07	6.66	-115.25
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)=C1	REAL300000343705	0	39	-2.0	-116.07	366.63	4.75	-111.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)=C(Cl)O1	REAL300000343706	0	37	-2.0	-105.59	370.55	5.60	-99.99
CCC1=C(S(=O)(=O)[N-]C2=NN(CCC3=CC=NC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000343707	0	43	-2.0	-111.88	392.54	6.62	-105.26
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000343708	1	37	-2.0	-122.15	355.25	3.24	-118.91
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000343709	1	37	-2.0	-110.52	350.70	3.21	-107.31
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000343710	1	37	-2.0	-122.34	350.71	3.20	-119.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)(=O)=O)=C1	REAL300000343711	0	41	-2.0	-127.94	378.84	3.01	-124.93
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000343712	1	41	-2.0	-110.16	382.17	4.50	-105.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CS(C)(=O)=O)=C2)=C1C	REAL300000343714	1	43	-2.0	-124.93	383.38	4.56	-120.37
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000343715	0	37	-2.0	-120.05	356.18	3.28	-116.77
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000343716	1	43	-2.0	-109.21	394.29	4.79	-104.42
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000343717	0	34	-2.0	-116.65	343.89	2.24	-114.41
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)(=O)=O)=C1	REAL300000343718	1	40	-2.0	-122.79	366.13	3.99	-118.80
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000343720	1	38	-2.0	-120.83	357.35	2.56	-118.27
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CS(C)(=O)=O)=C2)=C1	REAL300000343722	0	37	-2.0	-114.11	359.81	2.89	-111.22
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000343724	0	34	-2.0	-118.06	342.36	2.23	-115.83
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)(=O)=O)=C1	REAL300000343726	1	43	-2.0	-120.78	380.84	4.93	-115.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000343727	0	37	-2.0	-115.79	353.71	2.35	-113.44
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CS(C)(=O)=O)=C2)=C1	REAL300000343728	0	41	-2.0	-125.80	379.69	2.30	-123.50
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300000343729	1	37	-2.0	-119.22	359.30	3.10	-116.12
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000343730	1	37	-2.0	-109.54	355.23	3.25	-106.29
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000343731	0	34	-2.0	-112.71	342.97	2.35	-110.36
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000343732	1	37	-2.0	-113.21	357.12	3.28	-109.93
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000343733	0	37	-2.0	-110.40	356.17	3.29	-107.11
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000343734	0	38	-2.0	-121.82	360.42	0.92	-120.90
CS(=O)(=O)CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000343734	1	38	-2.0	-115.99	359.51	1.81	-114.18
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000343735	1	40	-2.0	-114.26	372.89	3.99	-110.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)(=O)=O)=C1	REAL300000343736	1	40	-2.0	-120.99	360.77	3.85	-117.14
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000343740	1	43	-2.0	-127.21	384.99	4.39	-122.82
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000343741	0	41	-2.0	-124.22	378.84	3.42	-120.80
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000343743	0	37	-2.0	-129.71	354.36	3.26	-126.45
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000343744	0	36	-2.0	-120.62	346.93	1.34	-119.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)(=O)=O)=C1	REAL300000343745	0	41	-2.0	-114.72	378.90	3.02	-111.70
CS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000343746	0	34	-2.0	-110.04	350.85	2.22	-107.82
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000343747	0	40	-2.0	-115.32	372.83	3.20	-112.12
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000343750	1	43	-2.0	-108.37	369.14	8.50	-99.87
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCC(C)C)C=C1	REAL300000343751	0	47	-2.0	-114.15	397.27	8.31	-105.84
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000343754	0	43	-2.0	-103.85	382.20	9.09	-94.76
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000343755	1	43	-2.0	-103.93	381.64	8.90	-95.03
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000343757	0	43	-2.0	-105.67	374.61	8.58	-97.09
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000343758	1	49	-2.0	-94.50	412.69	10.09	-84.41
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000343759	0	40	-2.0	-102.48	362.31	7.53	-94.95
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000343762	1	44	-2.0	-106.62	375.78	7.87	-98.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(CCC(C)C)C=C2)=C1	REAL300000343764	0	43	-2.0	-98.60	378.24	8.19	-90.41
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000343766	1	40	-2.0	-103.87	360.78	7.55	-96.32
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCC(C)C)C=C1	REAL300000343770	0	50	-2.0	-114.53	419.56	9.07	-105.46
CC(C)CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000343771	0	46	-2.0	-109.62	400.23	9.03	-100.59
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000343771	1	45	-3.0	-183.76	397.53	9.08	-174.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000343773	0	43	-2.0	-101.88	372.16	7.65	-94.23
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(CCC(C)C)C=C2)=C1	REAL300000343774	0	47	-2.0	-109.31	398.10	7.60	-101.71
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000343775	0	43	-2.0	-100.43	386.72	9.10	-91.33
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCC(C)C)C=C1	REAL300000343777	1	46	-2.0	-99.67	389.83	9.33	-90.34
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000343778	1	47	-2.0	-93.23	406.42	8.85	-84.38
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCC(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000343780	1	43	-2.0	-105.60	377.73	8.40	-97.20
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000343781	1	43	-2.0	-92.95	382.18	9.07	-83.88
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000343782	1	43	-2.0	-94.88	373.66	8.55	-86.33
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000343783	0	40	-2.0	-97.28	361.38	7.63	-89.65
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000343784	1	43	-2.0	-98.91	375.53	8.58	-90.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CCC(C)C)C=C2)=C1F	REAL300000343785	0	46	-2.0	-107.09	394.90	9.21	-97.88
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000343786	0	43	-2.0	-94.91	374.59	8.58	-86.33
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCC(C)C)C=C1	REAL300000343788	1	46	-2.0	-101.32	398.57	9.71	-91.61
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000343789	1	43	-2.0	-97.20	379.96	8.61	-88.59
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000343790	1	45	-2.0	-93.03	397.32	9.18	-83.85
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000343791	0	44	-2.0	-108.19	378.84	6.23	-101.96
CC(C)CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000343791	1	44	-2.0	-106.75	378.03	7.01	-99.74
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000343792	1	46	-2.0	-99.33	391.30	9.29	-90.04
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000343793	1	43	-2.0	-98.63	389.84	9.04	-89.59
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000343798	1	45	-2.0	-106.29	395.70	9.60	-96.69
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000343799	0	43	-2.0	-97.18	380.88	8.64	-88.54
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000343801	0	46	-2.0	-106.93	390.60	9.11	-97.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CCC(C)C)C=C2)=C1Cl	REAL300000343802	0	46	-2.0	-105.79	400.87	9.65	-96.14
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(CCC(C)C)C=C2)=C1	REAL300000343803	0	46	-2.0	-113.14	394.14	9.21	-103.93
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(CCC(C)C)C=C1	REAL300000343806	1	46	-2.0	-98.44	399.67	9.77	-88.67
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCC(C)C)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000343807	1	46	-2.0	-106.02	400.35	9.47	-96.55
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000343808	1	47	-2.0	-107.98	397.15	8.73	-99.25
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000343812	0	45	-2.0	-115.76	392.88	10.37	-105.39
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000343813	0	43	-2.0	-112.60	372.78	8.54	-104.06
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(CCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000343814	1	46	-2.0	-100.96	394.09	9.18	-91.78
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000343815	1	49	-2.0	-116.54	410.17	10.64	-105.90
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000343816	0	42	-2.0	-105.97	365.34	6.63	-99.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CCC(C)C)C=C1	REAL300000343817	0	47	-2.0	-99.88	397.33	8.31	-91.57
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000343818	0	40	-2.0	-95.80	369.28	7.49	-88.31
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000343819	1	50	-2.0	-101.48	413.11	10.33	-91.15
CC(C)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000343820	1	50	-2.0	-105.00	414.58	10.39	-94.61
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CCC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000343821	0	46	-2.0	-101.95	391.25	8.51	-93.44
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CNC2=O)=C1F	REAL300000343842	1	28	-2.0	-118.11	290.95	4.29	-113.82
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CNC2=O)=CC(C(=O)[O-])=C1	REAL300000343852	0	31	-2.0	-112.08	293.78	2.23	-109.85
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CNC2=O)=C1	REAL300000343884	0	29	-2.0	-112.13	273.65	0.26	-111.87
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CNC2=O)=C1	REAL300000343894	1	28	-2.0	-112.47	277.77	3.78	-108.69
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=CNC2=O)S1	REAL300000343895	1	25	-2.0	-104.15	282.77	1.66	-102.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CNC2=O)=C(F)C(Cl)=C1F	REAL300000343911	0	28	-2.0	-110.89	291.64	4.21	-106.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CNC2=O)=C(Cl)O1	REAL300000343924	1	25	-2.0	-103.97	270.29	0.93	-103.04
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)=NN1	REAL300000343930	1	37	-2.0	-109.29	347.27	5.76	-103.53
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2)=NN1	REAL300000343931	1	37	-2.0	-99.36	342.71	5.74	-93.62
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)=NN1	REAL300000343932	1	37	-2.0	-111.79	342.74	5.73	-106.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC(C)=N2)C=C1	REAL300000343933	0	41	-2.0	-117.26	370.88	5.53	-111.73
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2)=NN1	REAL300000343934	1	41	-2.0	-99.04	374.18	7.03	-92.01
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2)=NN1	REAL300000343935	1	40	-2.0	-112.90	358.75	6.27	-106.63
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2)=NN1	REAL300000343936	0	37	-2.0	-107.57	355.81	6.30	-101.27
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2)=NN1	REAL300000343937	1	37	-2.0	-107.61	355.24	6.12	-101.49
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2)=NN1	REAL300000343938	1	43	-2.0	-114.72	375.13	7.04	-107.68
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)=NN1	REAL300000343939	0	37	-2.0	-108.99	348.21	5.79	-103.20
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2)=NN1	REAL300000343940	1	43	-2.0	-98.26	386.30	7.32	-90.94
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)=NN1	REAL300000343941	0	34	-2.0	-105.98	335.92	4.75	-101.23
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2)=NN1	REAL300000343942	1	40	-2.0	-112.91	358.17	6.51	-106.40
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2)=NN1	REAL300000343943	1	41	-2.0	-97.72	373.80	6.02	-91.70
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=NN1	REAL300000343944	0	38	-2.0	-110.17	349.39	5.08	-105.09
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C=C2)=NN1	REAL300000343945	1	41	-2.0	-113.19	366.94	4.54	-108.65
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2)=NN1	REAL300000343946	0	37	-2.0	-102.15	351.86	5.42	-96.73
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=C2)=NN1	REAL300000343947	1	43	-2.0	-114.05	374.20	7.06	-106.99
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)=NN1	REAL300000343948	0	34	-2.0	-107.50	334.39	4.76	-102.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(C)=N3)C=C2)C=C1C(=O)[O-]	REAL300000343949	1	41	-2.0	-117.62	370.01	5.80	-111.82
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC(C)=N2)C=C1	REAL300000343950	1	43	-2.0	-111.35	372.87	7.47	-103.88
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2)=NN1	REAL300000343951	1	44	-2.0	-116.86	386.98	7.63	-109.23
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)=NN1	REAL300000343952	0	37	-2.0	-105.66	345.74	4.88	-100.78
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2)=NN1	REAL300000343953	0	41	-2.0	-112.98	371.70	4.82	-108.16
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2)=NN1	REAL300000343954	1	40	-2.0	-103.38	363.45	6.56	-96.82
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2)=NN1	REAL300000343955	0	37	-2.0	-109.30	351.34	5.62	-103.68
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2)=NN1	REAL300000343956	0	37	-2.0	-97.06	355.79	6.29	-90.77
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)=NN1	REAL300000343957	1	37	-2.0	-98.83	347.25	5.77	-93.06
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)=NN1	REAL300000343958	0	34	-2.0	-100.97	335.00	4.86	-96.11
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)=NN1	REAL300000343959	1	37	-2.0	-102.61	349.14	5.80	-96.81
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2)=NN1	REAL300000343960	0	40	-2.0	-110.35	368.49	6.43	-103.92
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)=NN1	REAL300000343961	0	37	-2.0	-98.69	348.20	5.80	-92.89
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)=NN1	REAL300000343962	1	37	-2.0	-96.90	355.22	6.13	-90.77
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2)=NN1	REAL300000343963	1	37	-2.0	-100.84	353.56	5.82	-95.02
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)=NN1	REAL300000343964	0	38	-2.0	-111.78	352.45	3.43	-108.35
CC1=NC(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)=NN1	REAL300000343964	1	38	-2.0	-111.13	351.66	4.24	-106.89
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)=NN1	REAL300000343965	1	40	-2.0	-102.86	364.90	6.52	-96.34
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2)=NN1	REAL300000343966	1	40	-2.0	-109.07	356.56	6.47	-102.60
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C2)=NN1	REAL300000343967	1	40	-2.0	-110.60	367.57	6.38	-104.22
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C2)=NN1	REAL300000343968	1	40	-2.0	-99.69	358.15	6.50	-93.19
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C2)=NN1	REAL300000343969	1	43	-2.0	-114.73	375.61	6.80	-107.93
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2)=NN1	REAL300000343970	0	37	-2.0	-100.61	354.49	5.86	-94.75
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=C2)=NN1	REAL300000343971	1	43	-2.0	-112.16	377.21	7.12	-105.04
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2)=NN1	REAL300000343972	0	40	-2.0	-110.10	364.21	6.33	-103.77
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2)=NN1	REAL300000343973	0	40	-2.0	-116.52	367.77	6.42	-110.10
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(C)=N3)C=C2)C=C1C(=O)[O-]	REAL300000343974	1	43	-2.0	-113.54	376.97	6.92	-106.62
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(C)=N3)C=C2)C=C1C(=O)[O-]	REAL300000343975	0	41	-2.0	-111.45	370.76	5.95	-105.50
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2)=NN1	REAL300000343976	1	40	-2.0	-99.58	358.74	6.27	-93.31
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C2)=NN1	REAL300000343977	1	40	-2.0	-110.23	362.69	6.55	-103.68
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)=NN1	REAL300000343978	0	37	-2.0	-115.82	346.35	5.76	-110.06
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2)=NN1	REAL300000343979	1	40	-2.0	-104.38	367.67	6.41	-97.97
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=NN1	REAL300000343980	0	36	-2.0	-109.34	338.95	3.85	-105.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC(C)=N2)C=C1	REAL300000343981	0	41	-2.0	-103.57	370.94	5.54	-98.03
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)=NN1	REAL300000343982	0	34	-2.0	-99.53	342.89	4.71	-94.82
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2)=NN1	REAL300000343983	1	44	-2.0	-105.88	388.86	7.62	-98.26
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2)=NN1	REAL300000343984	1	44	-2.0	-108.38	388.17	7.62	-100.76
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(C)=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000343985	0	40	-2.0	-105.69	364.86	5.73	-99.96
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1	REAL300000343986	1	40	-2.0	-93.49	364.34	1.08	-92.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC=C1F	REAL300000343987	1	33	-2.0	-110.01	312.41	2.52	-107.49
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CNC(=O)C2=C1	REAL300000343988	0	41	-2.0	-109.82	367.49	3.58	-106.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1	REAL300000343989	1	33	-2.0	-100.26	307.86	2.50	-97.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1	REAL300000343990	1	33	-2.0	-112.46	307.88	2.49	-109.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CNC(=O)C2=C1	REAL300000343991	0	37	-2.0	-116.68	336.02	2.29	-114.39
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1	REAL300000343992	1	37	-2.0	-99.52	339.33	3.79	-95.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000343993	1	36	-2.0	-114.99	327.94	3.14	-111.85
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1	REAL300000343994	0	33	-2.0	-107.02	320.95	3.07	-103.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC=C1Cl	REAL300000343995	1	33	-2.0	-108.35	320.38	2.89	-105.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1C	REAL300000343996	1	39	-2.0	-114.08	340.54	3.84	-110.24
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1	REAL300000343997	0	33	-2.0	-108.80	313.35	2.56	-106.24
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1	REAL300000343998	1	39	-2.0	-99.09	351.45	4.08	-95.01
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1	REAL300000343999	0	30	-2.0	-106.83	301.05	1.52	-105.31
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CNC(=O)C2=C1	REAL300000344000	1	36	-2.0	-111.94	323.31	3.27	-108.67
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1	REAL300000344001	1	37	-2.0	-98.24	338.94	2.78	-95.46
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000344002	0	34	-2.0	-111.00	314.52	1.84	-109.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1	REAL300000344004	0	33	-2.0	-103.12	316.98	2.18	-100.94
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000344005	1	39	-2.0	-113.47	338.94	3.83	-109.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CS1	REAL300000344006	0	30	-2.0	-108.26	299.53	1.53	-106.73
COC1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC(C(=O)[O-])=C1OC	REAL300000344007	1	41	-2.0	-113.17	366.19	2.30	-110.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000344008	1	37	-2.0	-118.28	335.15	2.56	-115.72
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1	REAL300000344009	1	43	-2.0	-115.70	363.10	5.12	-110.58
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CNC(=O)C2=C1	REAL300000344010	1	42	-2.0	-113.99	361.77	4.49	-109.50
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CNC(=O)C2=C1	REAL300000344011	1	39	-2.0	-109.98	338.00	4.22	-105.76
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CNC(=O)C2=C1	REAL300000344012	0	40	-2.0	-118.33	358.31	3.06	-115.27
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3CNC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000344013	0	36	-2.0	-114.81	338.72	3.06	-111.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000344013	1	35	-3.0	-188.82	336.28	3.06	-185.76
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1	REAL300000344014	1	40	-2.0	-116.16	352.12	4.39	-111.77
CC1=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000344015	0	33	-2.0	-105.77	310.88	1.63	-104.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC2=C1OCCO2	REAL300000344016	1	39	-2.0	-117.31	350.04	2.27	-115.04
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1	REAL300000344017	0	37	-2.0	-115.12	336.79	1.58	-113.54
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C4CNC(=O)C4=C3)C=C2C1	REAL300000344018	1	41	-2.0	-99.49	361.51	3.11	-96.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C(Cl)C=C1F	REAL300000344019	0	33	-2.0	-103.86	325.47	3.08	-100.78
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1Cl	REAL300000344020	1	37	-2.0	-96.79	354.97	3.32	-93.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC=C1OCC(=O)[O-]	REAL300000344021	1	40	-2.0	-98.68	359.02	3.48	-95.20
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CNC(=O)C2=C1	REAL300000344022	1	36	-2.0	-102.98	328.58	3.31	-99.67
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1F	REAL300000344023	1	37	-2.0	-97.79	345.17	2.84	-94.95
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000344024	1	40	-2.0	-118.89	357.01	3.47	-115.42
CC1=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000344025	0	33	-2.0	-108.57	317.57	2.38	-106.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C(Cl)=C1	REAL300000344026	0	33	-2.0	-97.86	320.92	3.05	-94.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1F	REAL300000344027	1	33	-2.0	-99.86	312.39	2.53	-97.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)S1	REAL300000344028	0	30	-2.0	-101.99	300.14	1.62	-100.37
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1	REAL300000344029	1	33	-2.0	-103.40	314.28	2.56	-100.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1F	REAL300000344030	0	36	-2.0	-110.22	333.64	3.20	-107.02
COC1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000344031	0	37	-2.0	-102.62	348.19	3.11	-99.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C(F)=C1	REAL300000344032	0	33	-2.0	-99.90	313.34	2.56	-97.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1Cl	REAL300000344033	1	33	-2.0	-97.87	320.36	2.90	-94.97
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CNC(=O)C2=C1	REAL300000344034	1	36	-2.0	-104.52	337.31	3.70	-100.82
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1	REAL300000344035	1	41	-2.0	-96.12	371.62	3.90	-92.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC(F)=C1F	REAL300000344036	1	33	-2.0	-101.68	318.69	2.59	-99.09
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1	REAL300000344037	0	35	-2.0	-97.67	336.06	3.16	-94.51
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1	REAL300000344038	0	34	-2.0	-110.41	317.59	0.21	-110.20
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CNC(=O)C3=C2)=C1	REAL300000344038	1	34	-2.0	-111.27	316.77	1.01	-110.26
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1	REAL300000344039	1	36	-2.0	-105.47	330.05	3.28	-102.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC(Cl)=C1F	REAL300000344040	1	33	-2.0	-103.07	328.58	3.02	-100.05
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CNC(=O)C2=C1	REAL300000344041	1	36	-2.0	-109.62	317.91	3.14	-106.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000344042	1	36	-2.0	-111.38	332.71	3.14	-108.24
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CNC(=O)C2=C1	REAL300000344043	1	36	-2.0	-100.20	323.28	3.27	-96.93
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000344044	1	39	-2.0	-116.76	345.37	3.69	-113.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC=C1[N+](=O)[O-]	REAL300000344045	0	35	-2.0	-111.07	334.43	3.59	-107.48
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1	REAL300000344046	0	33	-2.0	-100.84	319.63	2.62	-98.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000344047	1	39	-2.0	-113.94	342.35	3.88	-110.06
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000344048	0	36	-2.0	-111.06	333.19	3.19	-107.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1Cl	REAL300000344049	0	36	-2.0	-108.77	339.61	3.63	-105.14
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1	REAL300000344050	0	36	-2.0	-118.60	332.91	3.18	-115.42
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000344051	1	39	-2.0	-114.26	341.81	3.68	-110.58
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1CC(=O)[O-]	REAL300000344052	1	40	-2.0	-112.92	358.34	2.62	-110.30
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2CNC(=O)C2=C1	REAL300000344053	1	36	-2.0	-102.73	334.13	3.67	-99.06
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000344054	1	36	-2.0	-110.12	339.09	3.45	-106.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000344055	0	37	-2.0	-112.25	335.90	2.70	-109.55
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000344057	1	36	-2.0	-107.06	341.61	3.56	-103.50
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000344058	0	42	-2.0	-108.33	357.31	4.63	-103.70
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000344059	0	37	-2.0	-112.55	348.20	3.12	-109.43
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000344060	1	36	-2.0	-100.46	323.88	3.04	-97.42
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C([N+](=O)[O-])=C1	REAL300000344061	0	38	-2.0	-106.36	351.14	4.69	-101.67
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CNC(=O)C2=C1	REAL300000344062	1	36	-2.0	-109.40	327.83	3.32	-106.08
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC=C1	REAL300000344063	0	35	-2.0	-121.07	331.62	4.35	-116.72
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC=C1	REAL300000344064	0	33	-2.0	-117.82	311.53	2.53	-115.29
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000344065	1	36	-2.0	-105.29	332.81	3.17	-102.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=CC2=CC=CC=C21	REAL300000344066	1	39	-2.0	-120.74	348.92	4.61	-116.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C1	REAL300000344067	0	32	-2.0	-108.17	304.86	0.55	-107.62
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CNC(=O)C2=C1	REAL300000344068	0	37	-2.0	-104.31	336.07	2.29	-102.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)=C(Cl)O1	REAL300000344069	0	30	-2.0	-100.02	308.02	1.47	-98.55
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4CNC(=O)C4=C3)C=C2)CC1	REAL300000344070	1	40	-2.0	-106.08	354.00	4.38	-101.70
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4CNC(=O)C4=C3)C=C2C1	REAL300000344071	1	40	-2.0	-111.65	353.31	4.38	-107.27
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CNC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000344072	0	36	-2.0	-105.33	330.00	2.48	-102.85
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)C=C1	REAL300000344073	1	40	-2.0	-89.13	358.10	3.44	-85.69
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OCCC2=C1	REAL300000344075	0	41	-2.0	-106.78	361.26	5.94	-100.84
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1	REAL300000344076	1	33	-2.0	-102.92	318.06	5.56	-97.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OCCC2=C1	REAL300000344079	0	37	-2.0	-113.56	329.78	4.64	-108.92
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1	REAL300000344083	0	33	-2.0	-103.69	314.71	5.43	-98.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C(Cl)C=C1Cl	REAL300000344085	0	33	-2.0	-99.23	327.21	5.79	-93.44
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1	REAL300000344087	0	33	-2.0	-105.27	307.12	4.92	-100.35
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1	REAL300000344089	0	30	-2.0	-101.96	294.83	3.87	-98.09
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000344092	1	34	-2.0	-106.34	308.29	4.20	-102.14
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1	REAL300000344094	0	33	-2.0	-98.25	310.75	4.53	-93.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=CS1	REAL300000344096	1	30	-2.0	-103.62	293.29	3.89	-99.73
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OCCC2=C1	REAL300000344102	0	40	-2.0	-113.55	352.07	5.41	-108.14
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3OCCC3=C2)=CC(C(=O)[O-])=C1	REAL300000344103	0	36	-2.0	-110.57	332.50	5.40	-105.17
CC1=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)C=C(C(=O)[O-])O1	REAL300000344105	0	33	-2.0	-101.87	304.65	3.99	-97.88
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1	REAL300000344107	0	37	-2.0	-108.75	330.56	3.93	-104.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=CC(Cl)=C1Cl	REAL300000344109	1	33	-2.0	-97.34	329.33	5.70	-91.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C(Cl)C=C1F	REAL300000344110	1	33	-2.0	-100.31	319.23	5.44	-94.87
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OCCC2=C1	REAL300000344114	1	36	-2.0	-99.41	322.35	5.66	-93.75
CC1=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)C=C(C(=O)[O-])S1	REAL300000344118	1	33	-2.0	-105.16	311.33	4.73	-100.43
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1	REAL300000344119	0	33	-2.0	-97.33	329.86	5.87	-91.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)C(Cl)=C1	REAL300000344120	1	33	-2.0	-93.02	314.70	5.41	-87.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)C(Br)=C1	REAL300000344121	1	33	-2.0	-92.44	318.05	5.56	-86.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)S1	REAL300000344123	0	30	-2.0	-97.08	293.91	3.97	-93.11
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1	REAL300000344124	1	33	-2.0	-98.59	308.04	4.92	-93.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1F	REAL300000344125	0	36	-2.0	-106.61	327.41	5.55	-101.06
COC1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000344126	0	37	-2.0	-97.59	341.94	5.47	-92.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)C(F)=C1	REAL300000344127	0	33	-2.0	-94.79	307.09	4.92	-89.87
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)C=C1	REAL300000344130	1	41	-2.0	-91.92	365.37	6.26	-85.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=CC(F)=C1F	REAL300000344132	1	33	-2.0	-96.76	312.47	4.95	-91.81
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1	REAL300000344133	1	35	-2.0	-92.73	329.84	5.52	-87.21
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1	REAL300000344134	0	34	-2.0	-108.01	311.35	2.56	-105.45
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3OCCC3=C2)=C1	REAL300000344134	1	34	-2.0	-105.17	300.34	3.44	-101.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000344141	1	35	-2.0	-106.17	328.20	5.94	-100.23
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1	REAL300000344142	0	33	-2.0	-96.76	313.40	4.98	-91.78
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000344144	0	36	-2.0	-107.58	326.96	5.54	-102.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1Cl	REAL300000344145	0	36	-2.0	-105.39	333.38	5.98	-99.41
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1	REAL300000344146	0	36	-2.0	-112.52	326.68	5.53	-106.99
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1	REAL300000344152	1	33	-2.0	-100.48	322.93	5.47	-95.01
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000344153	1	37	-2.0	-107.58	329.66	5.06	-102.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C(F)C(Cl)=C1F	REAL300000344155	0	33	-2.0	-95.46	327.22	5.41	-90.05
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)C=C(C(=O)[O-])S1	REAL300000344157	1	42	-2.0	-105.04	351.08	6.98	-98.06
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000344158	1	37	-2.0	-109.20	341.96	5.48	-103.72
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)C([N+](=O)[O-])=C1	REAL300000344160	0	38	-2.0	-100.44	344.91	7.04	-93.40
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1[N+](=O)[O-]	REAL300000344162	0	35	-2.0	-114.98	325.38	6.69	-108.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1F	REAL300000344163	0	33	-2.0	-111.77	305.30	4.88	-106.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=CC2=CC=CC=C21	REAL300000344165	1	39	-2.0	-116.02	342.68	6.97	-109.05
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C1	REAL300000344166	0	32	-2.0	-105.39	297.86	2.97	-102.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OCCC2=C1	REAL300000344167	0	37	-2.0	-99.69	329.84	4.65	-95.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)=C(Cl)O1	REAL300000344168	0	30	-2.0	-95.55	301.79	3.82	-91.73
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OCCC3=C2)C=C(C(=O)[O-])O1	REAL300000344171	0	36	-2.0	-101.82	323.77	4.84	-96.98
COCCN1C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CC1=O	REAL300000344195	0	41	-2.0	-115.36	368.87	4.06	-111.30
COCCN1C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC1=O	REAL300000344212	0	39	-2.0	-105.93	342.56	2.55	-103.38
COCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CC1=O	REAL300000344219	1	38	-2.0	-94.75	355.68	4.44	-90.31
COCCN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC1=O	REAL300000344233	1	35	-2.0	-94.24	344.02	3.32	-90.92
CSC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000344237	1	37	-2.0	-95.50	355.87	5.42	-90.08
CSC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000344238	1	37	-2.0	-107.69	355.85	5.40	-102.29
CSC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000344239	0	34	-2.0	-102.16	349.06	4.42	-97.74
CSC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000344240	0	38	-2.0	-106.16	362.53	4.76	-101.40
CSC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000344241	0	34	-2.0	-102.77	347.53	4.44	-98.33
CSC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000344242	0	37	-2.0	-101.12	358.89	4.54	-96.58
CSC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000344243	0	34	-2.0	-96.87	348.11	4.53	-92.34
CSC1=NN=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000344244	0	36	-2.0	-103.01	352.87	3.46	-99.55
COC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1OC	REAL300000344268	0	42	-2.0	-111.40	368.75	6.03	-105.37
COC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1OC	REAL300000344287	0	40	-2.0	-108.02	351.75	4.30	-103.72
CN(C1=CC=CC=C1C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000344344	0	42	-2.0	-110.72	366.73	8.88	-101.84
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000344363	1	42	-2.0	-86.56	376.36	1.15	-85.41
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000344364	1	35	-2.0	-102.25	324.44	2.60	-99.65
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1C	REAL300000344365	0	43	-2.0	-102.99	379.52	3.67	-99.32
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000344366	1	35	-2.0	-92.75	319.89	2.57	-90.18
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000344367	1	35	-2.0	-104.42	319.90	2.56	-101.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1C	REAL300000344368	0	39	-2.0	-109.38	348.04	2.37	-107.01
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000344369	1	39	-2.0	-92.42	351.35	3.86	-88.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)C=C1C(=O)[O-]	REAL300000344370	1	38	-2.0	-105.39	335.92	3.10	-102.29
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000344371	0	35	-2.0	-99.99	332.97	3.15	-96.84
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000344372	1	35	-2.0	-100.50	332.42	2.96	-97.54
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000344373	1	41	-2.0	-107.27	352.57	3.93	-103.34
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000344374	0	35	-2.0	-101.40	325.37	2.63	-98.77
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000344375	1	41	-2.0	-91.41	363.47	4.16	-87.25
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000344376	0	32	-2.0	-99.03	313.09	1.58	-97.45
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1C	REAL300000344377	1	38	-2.0	-105.19	335.33	3.36	-101.83
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000344378	1	39	-2.0	-91.05	350.97	2.85	-88.20
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000344379	0	36	-2.0	-102.95	326.55	1.92	-101.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)=C1	REAL300000344381	0	35	-2.0	-95.31	329.01	2.25	-93.06
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000344382	1	41	-2.0	-107.61	355.35	4.00	-103.61
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000344383	0	32	-2.0	-100.31	311.55	1.61	-98.70
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)=CC(C(=O)[O-])=C1OC	REAL300000344384	1	43	-2.0	-104.92	378.24	2.38	-102.54
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)C=C1C(=O)[O-]	REAL300000344385	1	39	-2.0	-110.29	347.19	2.63	-107.66
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000344386	1	45	-2.0	-108.75	375.13	5.20	-103.55
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000344387	1	44	-2.0	-107.11	373.80	4.59	-102.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1C	REAL300000344388	1	41	-2.0	-103.64	349.28	4.27	-99.37
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1C	REAL300000344389	0	42	-2.0	-108.78	370.33	3.13	-105.65
CC1=CC(C(N)=O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000344390	0	38	-2.0	-109.75	346.77	3.06	-106.69
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000344390	1	37	-3.0	-178.82	348.30	3.13	-175.69
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000344391	1	42	-2.0	-109.09	364.15	4.46	-104.63
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)C=C(C(=O)[O-])O1	REAL300000344392	0	35	-2.0	-98.83	322.91	1.71	-97.12
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000344393	1	41	-2.0	-109.24	362.07	2.34	-106.90
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)=C1	REAL300000344394	0	39	-2.0	-105.57	348.82	1.66	-103.91
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000344395	1	43	-2.0	-91.46	372.82	3.17	-88.29
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000344396	0	35	-2.0	-97.08	337.49	3.17	-93.91
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000344397	1	39	-2.0	-89.75	367.01	3.39	-86.36
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000344398	1	42	-2.0	-91.46	371.05	3.56	-87.90
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000344399	1	38	-2.0	-96.17	340.61	3.39	-92.78
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000344400	1	39	-2.0	-90.84	357.20	2.91	-87.93
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)C=C1C(=O)[O-]	REAL300000344401	1	42	-2.0	-110.90	369.05	3.54	-107.36
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)C=C(C(=O)[O-])S1	REAL300000344402	0	35	-2.0	-101.80	329.59	2.46	-99.34
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000344403	0	35	-2.0	-90.39	332.96	3.15	-87.24
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000344404	1	35	-2.0	-92.47	324.43	2.61	-89.86
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000344405	0	32	-2.0	-94.21	312.17	1.70	-92.51
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000344406	1	35	-2.0	-95.63	326.32	2.63	-93.00
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000344407	0	38	-2.0	-102.72	345.66	3.27	-99.45
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000344408	0	39	-2.0	-95.12	360.20	3.21	-91.91
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000344409	0	35	-2.0	-92.06	325.35	2.64	-89.42
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000344410	1	35	-2.0	-90.42	332.40	2.97	-87.45
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000344411	1	38	-2.0	-97.75	349.34	3.78	-93.97
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000344412	1	43	-2.0	-89.37	383.63	3.98	-85.39
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000344413	1	35	-2.0	-94.19	330.73	2.66	-91.53
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000344414	0	37	-2.0	-89.99	348.09	3.23	-86.76
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000344415	0	36	-2.0	-104.14	329.62	0.27	-103.87
CC1=CC(C(N)=O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000344415	1	36	-2.0	-106.45	323.83	1.15	-105.30
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000344416	1	38	-2.0	-95.67	342.07	3.35	-92.32
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000344417	1	35	-2.0	-95.48	340.61	3.10	-92.38
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000344418	1	38	-2.0	-100.76	329.94	3.21	-97.55
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000344419	1	38	-2.0	-103.58	344.74	3.22	-100.36
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000344420	1	38	-2.0	-92.97	335.31	3.35	-89.62
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000344421	1	41	-2.0	-107.26	352.78	3.63	-103.63
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000344422	0	37	-2.0	-103.53	346.48	3.66	-99.87
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000344423	0	35	-2.0	-93.43	331.65	2.69	-90.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)C(C)=C1C(=O)[O-]	REAL300000344424	1	41	-2.0	-105.22	353.43	3.98	-101.24
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000344425	0	38	-2.0	-103.63	345.21	3.26	-100.37
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000344426	0	38	-2.0	-101.71	351.66	3.71	-98.00
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)=C1	REAL300000344427	0	38	-2.0	-109.22	344.94	3.26	-105.96
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)C=C1C(=O)[O-]	REAL300000344428	1	41	-2.0	-106.17	353.87	3.75	-102.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)C=C1CC(=O)[O-]	REAL300000344429	1	42	-2.0	-107.07	370.38	2.70	-104.37
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000344430	1	38	-2.0	-94.31	346.16	3.75	-90.56
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000344431	1	38	-2.0	-102.19	351.13	3.52	-98.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)C=C1C(=O)[O-]	REAL300000344432	0	39	-2.0	-104.18	347.92	2.79	-101.39
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000344433	1	47	-2.0	-104.77	385.05	5.44	-99.33
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000344434	1	38	-2.0	-99.01	353.67	3.63	-95.38
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000344435	0	44	-2.0	-101.58	369.33	4.69	-96.89
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)C=C1C(=O)[O-]	REAL300000344436	0	39	-2.0	-105.55	360.22	3.22	-102.33
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000344437	1	38	-2.0	-94.30	339.97	3.21	-91.09
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000344438	0	40	-2.0	-97.31	363.17	4.76	-92.55
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000344439	1	38	-2.0	-103.25	339.44	3.42	-99.83
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000344440	0	37	-2.0	-111.62	343.64	4.42	-107.20
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000344441	0	35	-2.0	-108.56	323.54	2.59	-105.97
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000344442	1	38	-2.0	-97.33	344.85	3.24	-94.09
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000344443	1	41	-2.0	-112.41	360.94	4.70	-107.71
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000344444	0	34	-2.0	-102.08	316.11	0.70	-101.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1C	REAL300000344445	0	39	-2.0	-96.58	348.10	2.37	-94.21
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000344446	0	32	-2.0	-92.78	320.00	1.55	-91.23
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000344447	1	42	-2.0	-98.89	366.03	4.45	-94.44
CC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000344448	1	42	-2.0	-101.66	363.99	4.44	-97.22
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2C)C=C(C(=O)[O-])O1	REAL300000344449	0	38	-2.0	-98.62	342.02	2.56	-96.06
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000344450	0	42	-2.0	-93.22	372.77	3.60	-89.62
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000344451	0	35	-2.0	-110.23	320.85	5.04	-105.19
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1OC	REAL300000344452	0	43	-2.0	-111.02	375.94	6.11	-104.91
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000344453	0	35	-2.0	-100.14	316.29	5.02	-95.12
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000344454	0	35	-2.0	-113.08	316.32	5.01	-108.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1OC	REAL300000344455	0	39	-2.0	-118.55	344.46	4.81	-113.74
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000344456	0	39	-2.0	-99.40	347.76	6.31	-93.09
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000344457	0	38	-2.0	-114.44	332.33	5.53	-108.91
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000344458	0	35	-2.0	-108.15	329.39	5.59	-102.56
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000344459	0	35	-2.0	-108.77	328.82	5.40	-103.37
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000344460	0	35	-2.0	-103.69	341.88	5.97	-97.72
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000344461	0	41	-2.0	-115.45	349.42	6.34	-109.11
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000344462	0	35	-2.0	-110.32	321.79	5.07	-105.25
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000344463	0	41	-2.0	-98.70	359.88	6.59	-92.11
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000344464	0	32	-2.0	-107.25	309.50	4.03	-103.22
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000344465	0	38	-2.0	-113.48	331.75	5.79	-107.69
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000344466	0	39	-2.0	-98.15	347.38	5.29	-92.86
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000344467	0	36	-2.0	-111.40	322.96	4.36	-107.04
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000344468	1	39	-2.0	-114.04	340.09	3.85	-110.19
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000344469	0	35	-2.0	-103.30	325.42	4.69	-98.61
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000344470	0	41	-2.0	-114.81	347.76	6.33	-108.48
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000344471	0	32	-2.0	-108.62	307.97	4.04	-104.58
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000344472	0	43	-2.0	-113.30	374.66	4.82	-108.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OC)C=C1C(=O)[O-]	REAL300000344473	0	39	-2.0	-118.99	343.61	5.08	-113.91
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000344474	0	45	-2.0	-117.78	371.55	7.64	-110.14
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000344475	0	44	-2.0	-115.77	370.21	7.02	-108.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1OC	REAL300000344476	0	41	-2.0	-111.23	346.44	6.73	-104.50
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1OC	REAL300000344477	0	42	-2.0	-119.41	366.75	5.58	-113.83
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000344478	0	37	-3.0	-189.60	344.72	5.58	-184.02
COC1=CC(C)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000344478	1	38	-2.0	-109.55	344.76	5.53	-104.02
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000344479	0	42	-2.0	-118.11	360.56	6.91	-111.20
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000344480	0	35	-2.0	-106.37	319.32	4.15	-102.22
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000344481	0	41	-2.0	-118.04	358.49	4.78	-113.26
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000344482	0	39	-2.0	-114.39	345.23	4.09	-110.30
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000344483	0	43	-2.0	-98.91	369.23	5.61	-93.30
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000344484	0	35	-2.0	-102.41	344.00	5.85	-96.56
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000344485	0	35	-2.0	-104.58	333.91	5.60	-98.98
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000344486	0	39	-2.0	-96.46	363.42	5.83	-90.63
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000344487	0	42	-2.0	-98.62	367.47	5.99	-92.63
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000344488	0	45	-2.0	-96.98	396.07	6.25	-90.73
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000344489	0	38	-2.0	-103.85	337.02	5.82	-98.03
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000344490	0	48	-2.0	-98.55	409.93	6.92	-91.63
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000344491	0	39	-2.0	-97.35	353.62	5.35	-92.00
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OC)C=C1C(=O)[O-]	REAL300000344492	0	42	-2.0	-119.68	365.46	5.99	-113.69
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000344493	0	35	-2.0	-109.83	324.94	4.90	-104.93
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000344494	0	35	-2.0	-101.91	344.54	6.03	-95.88
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000344495	0	35	-2.0	-97.40	329.37	5.58	-91.82
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000344496	0	35	-2.0	-99.43	320.85	5.05	-94.38
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000344497	0	32	-2.0	-101.93	308.58	4.13	-97.80
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000344498	0	35	-2.0	-103.69	322.73	5.07	-98.62
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000344499	0	38	-2.0	-111.89	342.06	5.71	-106.18
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000344500	0	39	-2.0	-102.05	356.63	5.64	-96.41
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000344501	0	35	-2.0	-99.74	321.78	5.08	-94.66
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000344502	0	35	-2.0	-97.63	328.82	5.40	-92.23
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000344503	0	38	-2.0	-105.65	345.76	6.20	-99.45
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000344504	0	43	-2.0	-95.99	380.05	6.42	-89.57
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000344505	0	35	-2.0	-101.58	327.14	5.10	-96.48
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000344506	0	37	-2.0	-97.73	344.51	5.68	-92.05
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000344507	0	36	-2.0	-112.17	326.03	2.70	-109.47
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000344508	0	38	-2.0	-103.84	338.48	5.79	-98.05
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000344509	0	35	-2.0	-103.15	337.02	5.54	-97.61
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000344510	0	38	-2.0	-109.11	326.35	5.64	-103.47
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000344511	0	38	-2.0	-111.70	341.15	5.65	-106.05
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000344512	0	38	-2.0	-100.00	331.73	5.78	-94.22
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000344513	0	41	-2.0	-116.53	349.19	6.07	-110.46
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000344514	0	37	-2.0	-110.74	342.89	6.10	-104.64
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000344515	0	35	-2.0	-101.82	328.05	5.14	-96.68
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000344516	0	41	-2.0	-113.46	350.79	6.40	-107.06
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000344517	0	38	-2.0	-111.59	337.79	5.61	-105.98
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000344518	0	38	-2.0	-110.12	348.10	6.15	-103.97
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000344519	0	38	-2.0	-118.30	341.35	5.69	-112.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OC)C=C1C(=O)[O-]	REAL300000344520	0	41	-2.0	-115.21	350.28	6.19	-109.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OC)C=C1CC(=O)[O-]	REAL300000344521	0	42	-2.0	-115.72	366.79	5.13	-110.59
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000344522	0	38	-2.0	-102.30	342.57	6.20	-96.10
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000344523	0	38	-2.0	-96.45	346.45	5.82	-90.63
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000344524	0	38	-2.0	-110.69	347.54	5.96	-104.73
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OC)C=C1C(=O)[O-]	REAL300000344525	0	39	-2.0	-112.73	344.34	5.22	-107.51
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000344526	1	47	-2.0	-113.67	381.46	7.88	-105.79
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000344527	0	35	-2.0	-100.30	341.92	5.57	-94.73
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000344528	0	38	-2.0	-106.46	346.18	5.98	-100.48
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000344529	0	44	-2.0	-108.98	365.75	7.15	-101.83
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000344530	0	39	-2.0	-113.74	356.64	5.65	-108.09
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000344531	0	38	-2.0	-101.85	336.38	5.65	-96.20
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000344532	0	40	-2.0	-104.44	359.57	7.20	-97.24
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000344533	0	38	-2.0	-110.48	336.27	5.83	-104.65
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000344534	0	37	-2.0	-120.35	340.05	6.85	-113.50
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000344535	0	35	-2.0	-117.41	319.95	5.04	-112.37
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000344536	0	38	-2.0	-104.67	337.48	5.58	-99.09
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000344537	0	41	-2.0	-121.72	357.35	7.13	-114.59
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000344538	0	34	-2.0	-110.97	312.53	3.12	-107.85
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000344539	0	39	-2.0	-104.49	344.52	4.81	-99.68
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000344540	0	32	-2.0	-100.30	316.42	3.98	-96.32
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000344541	0	42	-2.0	-106.80	362.44	6.90	-99.90
COC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000344542	0	42	-2.0	-110.15	360.40	6.87	-103.28
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OC)C=C(C(=O)[O-])O1	REAL300000344543	0	38	-2.0	-105.98	338.43	5.00	-100.98
CC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000344574	0	40	-2.0	-109.63	357.07	8.30	-101.33
CC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C	REAL300000344605	0	38	-2.0	-108.67	332.07	6.32	-102.35
CCN(C1=CC2=CC=CC=C2C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000344666	0	43	-2.0	-113.26	373.28	9.78	-103.48
CCN(C1=CC2=CC=CC=C2C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000344682	0	41	-2.0	-110.65	360.31	8.21	-102.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCCC3=O)=C2)C=C1	REAL300000344705	1	45	-2.0	-109.89	386.12	7.37	-102.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CN3CCCCC3=O)=C2)=C1	REAL300000344706	1	45	-2.0	-122.93	386.12	7.36	-115.57
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(CN3CCCCC3=O)=C2)=C1	REAL300000344707	0	42	-2.0	-116.91	379.30	6.38	-110.53
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCCC3=O)=C2)C=C1C(=O)[O-]	REAL300000344708	1	46	-2.0	-121.31	392.77	6.71	-114.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3CCCCC3=O)=C2)=CS1	REAL300000344709	0	42	-2.0	-118.37	377.75	6.40	-111.97
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCCC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000344710	0	45	-2.0	-115.17	389.13	6.50	-108.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3CCCCC3=O)=C2)S1	REAL300000344711	0	42	-2.0	-111.74	378.39	6.49	-105.25
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CN3CCCCC3=O)=C2)=C1	REAL300000344712	0	44	-2.0	-118.79	383.10	5.42	-113.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2CO)C=C1	REAL300000344713	1	32	-2.0	-93.11	315.06	2.94	-90.17
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2CO)=C1	REAL300000344714	1	32	-2.0	-106.15	315.08	2.93	-103.22
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2CO)=C1	REAL300000344715	0	29	-2.0	-99.52	308.27	1.95	-97.57
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2CO)C=C1C(=O)[O-]	REAL300000344716	0	33	-2.0	-104.31	321.71	2.28	-102.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2CO)=CS1	REAL300000344717	0	29	-2.0	-101.75	306.72	1.97	-99.78
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2CO)C=C(C(=O)[O-])O1	REAL300000344718	0	32	-2.0	-100.00	318.08	2.07	-97.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2CO)S1	REAL300000344719	0	29	-2.0	-94.89	307.35	2.07	-92.82
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2CO)=C1	REAL300000344720	0	31	-2.0	-102.93	311.29	1.05	-101.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)=CC=C1F	REAL300000344721	1	42	-2.0	-116.68	384.14	1.51	-115.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)=CC=C1	REAL300000344723	1	42	-2.0	-119.50	379.63	1.47	-118.03
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)=C1	REAL300000344725	0	42	-2.0	-117.22	385.09	1.55	-115.67
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)=C1	REAL300000344726	0	39	-2.0	-113.79	372.79	0.50	-113.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(=O)NCCO)C=C1	REAL300000344727	1	45	-2.0	-120.14	395.04	2.27	-117.87
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)C=C1C(=O)[O-]	REAL300000344728	1	43	-2.0	-118.00	386.26	0.83	-117.17
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)=C1	REAL300000344729	0	42	-2.0	-110.95	388.72	1.16	-109.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)=CS1	REAL300000344730	0	39	-2.0	-115.80	371.26	0.52	-115.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)C=C(C(=O)[O-])O1	REAL300000344731	0	42	-2.0	-113.18	382.62	0.62	-112.56
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)C=C(C(=O)[O-])S1	REAL300000344732	1	42	-2.0	-116.59	388.21	1.37	-115.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)C=C1F	REAL300000344733	1	42	-2.0	-106.95	384.15	1.52	-105.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)S1	REAL300000344734	0	39	-2.0	-109.58	371.88	0.61	-108.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)=CC(F)=C1	REAL300000344735	1	42	-2.0	-110.41	386.02	1.55	-108.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)C(F)=C1	REAL300000344736	0	42	-2.0	-107.27	385.07	1.55	-105.72
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)=C1	REAL300000344737	0	43	-2.0	-119.34	389.32	-0.81	-120.15
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(CC(=O)NCCO)C=C2)=C1	REAL300000344737	1	43	-2.0	-113.27	388.51	-0.02	-113.29
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)C=C1	REAL300000344738	1	45	-2.0	-111.16	401.78	2.26	-108.90
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(=O)NCCO)C=C1	REAL300000344739	1	45	-2.0	-118.51	393.43	2.22	-116.29
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)C=C1C(=O)[O-]	REAL300000344741	1	46	-2.0	-119.34	407.63	1.70	-117.64
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)=CC=C1	REAL300000344743	0	42	-2.0	-126.07	383.27	1.52	-124.55
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)=C1	REAL300000344744	0	41	-2.0	-118.20	375.83	-0.40	-118.60
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)NCCO)C=C2)C=C(C(=O)[O-])O1	REAL300000344745	0	45	-2.0	-113.04	401.73	1.47	-111.57
CC1=CC(C(=O)NCC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000344746	1	47	-2.0	-92.34	403.68	6.40	-85.94
CC1=CC(C(=O)NCC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000344747	1	47	-2.0	-104.18	403.69	6.39	-97.79
CC1=CC(C(=O)NCC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000344748	0	44	-2.0	-98.73	396.88	5.41	-93.32
CC1=CC(C(=O)NCC(C)C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000344749	0	48	-2.0	-102.66	410.34	5.75	-96.91
CC1=CC(C(=O)NCC(C)C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000344750	0	44	-2.0	-100.11	395.34	5.44	-94.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(C)C)C=C2C)C=C(C(=O)[O-])O1	REAL300000344751	0	47	-2.0	-98.48	406.71	5.54	-92.94
CC1=CC(C(=O)NCC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000344752	0	44	-2.0	-93.91	395.96	5.53	-88.38
CC1=CC(C(=O)NCC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000344753	0	46	-2.0	-101.66	399.91	4.53	-97.13
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1	REAL300000344754	0	39	-2.0	-88.68	361.09	-1.21	-89.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC=C1F	REAL300000344755	0	32	-2.0	-104.63	309.15	0.25	-104.38
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCO)N=C1	REAL300000344756	0	40	-2.0	-105.97	364.24	1.31	-104.66
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344757	0	32	-2.0	-102.48	321.04	0.93	-101.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1	REAL300000344758	0	32	-2.0	-94.76	304.61	0.22	-94.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344759	0	32	-2.0	-106.97	304.62	0.22	-106.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCO)N=C1	REAL300000344760	0	36	-2.0	-112.68	332.76	0.04	-112.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC=C1Br	REAL300000344761	0	32	-2.0	-102.47	320.86	0.69	-101.78
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1	REAL300000344762	0	36	-2.0	-94.52	336.08	1.52	-93.00
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1C(=O)[O-]	REAL300000344763	0	35	-2.0	-107.73	320.64	0.75	-106.98
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344764	0	32	-2.0	-103.02	317.69	0.80	-102.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC=C1Cl	REAL300000344765	0	32	-2.0	-102.91	317.13	0.61	-102.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C(Cl)C=C1Cl	REAL300000344766	0	32	-2.0	-98.84	330.19	1.16	-97.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1C	REAL300000344767	0	38	-2.0	-110.38	337.02	1.53	-108.85
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344768	0	32	-2.0	-104.29	310.10	0.28	-104.01
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1	REAL300000344769	0	38	-2.0	-93.66	348.20	1.80	-91.86
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344770	0	29	-2.0	-101.05	297.80	-0.76	-101.81
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCO)N=C1	REAL300000344771	0	35	-2.0	-108.44	320.05	1.01	-107.43
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1	REAL300000344772	0	36	-2.0	-93.13	335.70	0.51	-92.62
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CN(CCO)N=C3)C=C2)C1	REAL300000344773	0	43	-2.0	-89.75	381.45	1.27	-88.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C(Br)S1	REAL300000344774	0	29	-2.0	-98.36	314.83	-0.02	-98.38
CN1C=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1C(=O)[O-]	REAL300000344775	0	33	-2.0	-105.49	311.26	-0.43	-105.92
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCO)N=C1	REAL300000344776	0	36	-2.0	-109.15	328.40	-0.94	-110.09
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344777	0	32	-2.0	-97.38	313.73	-0.10	-97.48
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1C(=O)[O-]	REAL300000344778	0	38	-2.0	-109.63	336.08	1.54	-108.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CS1	REAL300000344779	0	29	-2.0	-102.49	296.27	-0.74	-103.23
COC1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000344780	0	40	-2.0	-107.12	362.93	0.04	-107.08
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1C(=O)[O-]	REAL300000344781	0	36	-2.0	-112.84	331.91	0.28	-112.56
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344782	0	42	-2.0	-112.26	359.88	2.84	-109.42
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCO)N=C1	REAL300000344783	0	41	-2.0	-110.54	358.53	2.24	-108.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCO)N=C1	REAL300000344784	0	38	-2.0	-107.00	334.79	1.93	-105.07
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCO)N=C1	REAL300000344785	0	39	-2.0	-112.59	355.05	0.79	-111.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC(C(=O)[O-])=C1	REAL300000344786	0	34	-3.0	-180.43	333.04	0.79	-179.64
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344787	0	39	-2.0	-112.54	348.87	2.12	-110.42
CC1=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C(C(=O)[O-])O1	REAL300000344788	0	32	-2.0	-101.52	307.63	-0.63	-102.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC2=C1OCCO2	REAL300000344789	0	38	-2.0	-111.78	346.80	-0.01	-111.79
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344790	0	36	-2.0	-107.16	333.54	-0.69	-107.85
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN(CCO)N=C3)C=C2C1	REAL300000344791	0	40	-2.0	-94.36	358.26	0.84	-93.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC(Cl)=C1Cl	REAL300000344792	0	32	-2.0	-96.76	332.30	1.06	-95.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C(Cl)C=C1F	REAL300000344793	0	32	-2.0	-99.98	322.21	0.81	-99.17
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1Cl	REAL300000344794	0	36	-2.0	-91.78	351.72	1.03	-90.75
CC1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC=C1OCC(=O)[O-]	REAL300000344795	0	39	-2.0	-93.66	355.78	1.21	-92.45
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1F	REAL300000344796	0	42	-2.0	-92.70	384.37	1.46	-91.24
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCO)N=C1	REAL300000344797	0	35	-2.0	-99.08	325.33	1.03	-98.05
CC1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000344798	0	45	-2.0	-93.80	398.22	2.14	-91.66
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1F	REAL300000344799	0	36	-2.0	-92.78	341.91	0.55	-92.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1C(=O)[O-]	REAL300000344800	0	39	-2.0	-113.13	353.75	1.19	-111.94
CC1=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C(C(=O)[O-])S1	REAL300000344801	0	32	-2.0	-104.77	314.32	0.11	-104.66
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344802	0	32	-2.0	-96.83	332.84	1.25	-95.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C(Cl)=C1	REAL300000344803	0	32	-2.0	-92.38	317.67	0.79	-91.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C(Br)=C1	REAL300000344804	0	32	-2.0	-91.99	321.02	0.92	-91.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1F	REAL300000344805	0	32	-2.0	-94.40	309.15	0.27	-94.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)S1	REAL300000344806	0	29	-2.0	-95.98	296.88	-0.66	-96.64
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344807	0	32	-2.0	-97.94	311.03	0.28	-97.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1F	REAL300000344808	0	35	-2.0	-105.72	330.38	0.91	-104.81
COC1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000344809	0	36	-2.0	-97.02	344.93	0.85	-96.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C(F)=C1	REAL300000344810	0	32	-2.0	-93.88	310.08	0.30	-93.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1Cl	REAL300000344811	0	32	-2.0	-92.40	317.12	0.62	-91.78
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCO)N=C1	REAL300000344812	0	35	-2.0	-100.80	334.06	1.42	-99.38
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1	REAL300000344813	0	40	-2.0	-91.39	368.36	1.64	-89.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1Br	REAL300000344814	0	32	-2.0	-91.95	320.85	0.70	-91.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC(F)=C1F	REAL300000344815	0	32	-2.0	-96.35	315.45	0.31	-96.04
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344816	0	34	-2.0	-92.16	332.81	0.89	-91.27
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344817	0	33	-2.0	-107.54	314.33	-2.06	-109.60
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1	REAL300000344818	0	35	-2.0	-98.47	326.80	0.99	-97.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC(Cl)=C1F	REAL300000344819	0	32	-2.0	-97.72	325.34	0.74	-96.98
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CCO)N=C1	REAL300000344820	0	35	-2.0	-102.59	314.67	0.86	-101.73
CC1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC(C(=O)[O-])=C1F	REAL300000344821	0	35	-2.0	-106.00	329.45	0.89	-105.11
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CCO)N=C1	REAL300000344822	0	35	-2.0	-95.20	320.03	0.99	-94.21
CC1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC(C(=O)[O-])=C1C	REAL300000344823	0	38	-2.0	-111.01	341.42	1.37	-109.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC=C1[N+](=O)[O-]	REAL300000344824	0	34	-2.0	-105.58	331.20	1.31	-104.27
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344825	0	32	-2.0	-95.95	316.38	0.34	-95.61
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)S1	REAL300000344826	0	29	-2.0	-93.92	317.20	-0.09	-94.01
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C(C)=C1C(=O)[O-]	REAL300000344827	0	38	-2.0	-107.01	338.01	1.63	-105.38
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1C(=O)[O-]	REAL300000344828	0	35	-2.0	-106.53	329.93	0.91	-105.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1Cl	REAL300000344829	0	35	-2.0	-104.80	336.38	1.35	-103.45
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344830	0	35	-2.0	-110.78	329.66	0.90	-109.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1C(=O)[O-]	REAL300000344831	0	38	-2.0	-108.40	338.59	1.40	-107.00
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1CC(=O)[O-]	REAL300000344832	0	39	-2.0	-108.80	355.10	0.35	-108.45
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(CCO)N=C1	REAL300000344833	0	35	-2.0	-96.11	330.88	1.40	-94.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1C(F)(F)F	REAL300000344834	0	35	-2.0	-91.43	334.74	1.04	-90.39
CC1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000344835	0	35	-2.0	-104.68	335.84	1.19	-103.49
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344836	0	32	-2.0	-99.80	325.91	0.83	-98.97
CCN1C=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1C(=O)[O-]	REAL300000344837	0	36	-2.0	-106.74	332.64	0.44	-106.30
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C(C)=C1CC(=O)[O-]	REAL300000344838	0	44	-2.0	-106.44	369.77	3.08	-103.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C(F)C(Cl)=C1F	REAL300000344839	0	32	-2.0	-94.90	330.22	0.77	-94.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C(OC(F)(F)F)=C1	REAL300000344840	0	36	-2.0	-93.67	349.32	0.52	-93.15
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1C(=O)[O-]	REAL300000344841	0	35	-2.0	-101.25	338.36	1.28	-99.97
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C(C(=O)[O-])S1	REAL300000344842	0	41	-2.0	-104.78	354.07	2.34	-102.44
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1C(=O)[O-]	REAL300000344843	0	36	-2.0	-108.63	344.95	0.85	-107.78
CC1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC=C1C(=O)[O-]	REAL300000344844	0	35	-2.0	-94.88	320.63	0.77	-94.11
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C([N+](=O)[O-])=C1	REAL300000344845	0	37	-2.0	-98.62	345.34	2.38	-96.24
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCO)N=C1	REAL300000344846	0	35	-2.0	-106.27	324.16	1.06	-105.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1[N+](=O)[O-]	REAL300000344847	0	34	-2.0	-112.93	328.36	2.08	-110.85
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1F	REAL300000344848	0	32	-2.0	-110.00	308.28	0.24	-109.76
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C1C(=O)[O-]	REAL300000344849	0	35	-2.0	-99.43	329.56	0.88	-98.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC2=CC=CC=C21	REAL300000344850	0	38	-2.0	-114.66	345.66	2.35	-112.31
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344851	0	31	-2.0	-104.52	301.60	-1.72	-106.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CCO)N=C1	REAL300000344852	0	36	-2.0	-98.91	332.82	0.01	-98.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C(Cl)O1	REAL300000344853	0	29	-2.0	-95.00	304.77	-0.81	-95.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=CC=C1OC(F)(F)F	REAL300000344854	0	36	-2.0	-102.32	348.41	0.77	-101.55
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CCO)N=C2)=C1	REAL300000344855	0	35	-2.0	-97.93	347.97	-2.74	-100.67
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(CCO)N=C3)C=C2)CC1	REAL300000344856	0	39	-2.0	-100.41	348.60	2.03	-98.38
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(CCO)N=C3)C=C2C1	REAL300000344857	0	39	-2.0	-103.96	350.06	2.09	-101.87
CCC1=C(S(=O)(=O)[N-]C2=CN(CCO)N=C2)C=C(C(=O)[O-])O1	REAL300000344858	0	35	-2.0	-101.50	326.75	0.22	-101.28
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000344859	1	36	-2.0	-118.01	348.33	0.70	-117.31
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000344860	1	36	-2.0	-106.45	343.94	0.67	-105.78
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000344861	1	36	-2.0	-117.37	343.90	0.67	-116.70
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000344862	1	40	-2.0	-106.33	375.26	1.97	-104.36
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CS(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000344863	1	39	-2.0	-122.00	359.81	1.20	-120.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CS(N)(=O)=O)=C2)=C1C	REAL300000344864	1	42	-2.0	-120.71	376.61	2.01	-118.70
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000344865	0	36	-2.0	-115.84	349.27	0.73	-115.11
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000344866	1	42	-2.0	-105.37	387.38	2.25	-103.12
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000344867	0	33	-2.0	-112.70	336.97	-0.32	-113.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(N)(=O)=O)=C1	REAL300000344868	1	39	-2.0	-118.66	359.37	1.45	-117.21
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CS(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000344869	1	37	-2.0	-116.75	350.44	0.02	-116.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CS(N)(=O)=O)=C2)=C1	REAL300000344870	0	36	-2.0	-110.12	352.90	0.35	-109.77
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000344872	0	33	-2.0	-113.22	335.55	-0.30	-113.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(N)(=O)=O)=C1	REAL300000344873	1	42	-2.0	-116.85	373.93	2.39	-114.46
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CS(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000344874	0	36	-2.0	-112.00	346.80	-0.19	-112.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CS(N)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300000344875	1	36	-2.0	-115.24	352.39	0.56	-114.68
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000344876	1	36	-2.0	-105.67	348.46	0.70	-104.97
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000344877	0	33	-2.0	-108.81	336.06	-0.21	-109.02
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000344878	1	36	-2.0	-109.20	350.20	0.73	-108.47
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000344879	0	36	-2.0	-106.31	349.40	0.73	-105.58
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000344880	0	37	-2.0	-117.83	353.50	-1.63	-119.46
NS(=O)(=O)CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000344880	1	37	-2.0	-113.25	352.74	-0.75	-114.00
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000344881	1	39	-2.0	-110.25	365.98	1.45	-108.80
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CS(N)(=O)=O)=C1	REAL300000344882	1	39	-2.0	-116.59	354.00	1.30	-115.29
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CS(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000344886	1	42	-2.0	-122.75	378.08	1.85	-120.90
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CS(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000344887	0	40	-2.0	-119.75	371.95	0.87	-118.88
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000344889	0	36	-2.0	-125.29	347.45	0.71	-124.58
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000344890	0	35	-2.0	-116.28	340.16	-1.20	-117.48
NS(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000344891	0	33	-2.0	-106.11	344.09	-0.34	-106.45
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CS(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000344892	0	39	-2.0	-111.39	366.07	0.65	-110.74
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000344893	1	37	-2.0	-105.19	341.36	5.89	-99.30
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000344894	1	37	-2.0	-95.39	336.81	5.87	-89.52
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000344895	1	37	-2.0	-107.76	336.83	5.86	-101.90
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)C=C21	REAL300000344896	0	41	-2.0	-112.85	364.97	5.65	-107.20
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C21	REAL300000344897	1	41	-2.0	-95.01	368.28	7.15	-87.86
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000344898	1	40	-2.0	-108.86	352.85	6.39	-102.47
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C21	REAL300000344899	0	37	-2.0	-103.07	349.90	6.43	-96.64
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000344900	1	37	-2.0	-103.53	349.33	6.25	-97.28
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C21	REAL300000344901	1	43	-2.0	-110.00	369.22	7.17	-102.83
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000344902	0	37	-2.0	-104.71	342.30	5.92	-98.79
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C21	REAL300000344903	1	43	-2.0	-94.12	380.39	7.45	-86.67
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000344904	0	34	-2.0	-102.02	330.01	4.88	-97.14
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C21	REAL300000344905	1	40	-2.0	-108.25	352.26	6.64	-101.61
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C21	REAL300000344906	1	41	-2.0	-93.64	367.89	6.14	-87.50
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C21	REAL300000344907	0	38	-2.0	-106.15	343.48	5.21	-100.94
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C21	REAL300000344909	0	37	-2.0	-98.28	345.95	5.54	-92.74
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=C21	REAL300000344910	1	43	-2.0	-109.32	368.29	7.18	-102.14
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000344911	0	34	-2.0	-103.45	328.47	4.90	-98.55
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OC)C(C(=O)[O-])=C3)C=C21	REAL300000344912	1	41	-2.0	-113.47	364.12	5.92	-107.55
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)C=C21	REAL300000344913	1	47	-2.0	-112.08	392.08	8.47	-103.61
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)C=C21	REAL300000344914	1	46	-2.0	-110.45	390.72	7.87	-102.58
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(CC)C2=C1	REAL300000344915	1	43	-2.0	-106.48	366.98	7.59	-98.89
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(CC(=O)[O-])=CC=C3OC)C=C21	REAL300000344916	0	44	-2.0	-113.79	387.26	6.42	-107.37
CCN1N=CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C21	REAL300000344917	0	40	-2.0	-112.48	371.95	6.28	-106.20
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C21	REAL300000344917	1	39	-3.0	-182.94	365.23	6.42	-176.52
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C21	REAL300000344918	1	44	-2.0	-112.31	381.08	7.76	-104.55
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C21	REAL300000344919	0	37	-2.0	-101.45	339.84	5.00	-96.45
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C21	REAL300000344920	0	41	-2.0	-108.91	365.81	4.94	-103.97
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=C21	REAL300000344921	0	37	-2.0	-99.87	354.42	6.45	-93.42
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(C)=C3)C=C21	REAL300000344922	1	44	-2.0	-94.10	387.97	6.85	-87.25
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C21	REAL300000344923	1	40	-2.0	-98.84	357.54	6.68	-92.16
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=C21	REAL300000344924	1	41	-2.0	-93.21	374.12	6.20	-87.01
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NN(CC)C3=C2)C=C1C(=O)[O-]	REAL300000344925	1	44	-2.0	-114.27	385.96	6.83	-107.44
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C21	REAL300000344926	0	37	-2.0	-104.74	345.43	5.75	-98.99
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C21	REAL300000344927	0	37	-2.0	-93.04	349.88	6.42	-86.62
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000344928	1	37	-2.0	-94.97	341.36	5.90	-89.07
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000344929	0	34	-2.0	-97.01	329.10	4.99	-92.02
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000344930	1	37	-2.0	-98.54	343.23	5.92	-92.62
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C21	REAL300000344931	0	40	-2.0	-106.03	362.59	6.56	-99.47
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000344932	0	37	-2.0	-94.92	342.29	5.93	-88.99
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C21	REAL300000344933	1	37	-2.0	-92.96	349.33	6.26	-86.70
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)C=C21	REAL300000344934	1	40	-2.0	-100.51	366.27	7.07	-93.44
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000344935	1	37	-2.0	-96.93	347.65	5.95	-90.98
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C21	REAL300000344936	0	39	-2.0	-92.84	365.01	6.53	-86.31
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000344937	0	38	-2.0	-107.08	346.54	3.57	-103.51
CCN1N=CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000344937	1	38	-2.0	-106.19	345.76	4.35	-101.84
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000344938	1	40	-2.0	-98.65	358.99	6.64	-92.01
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000344939	1	37	-2.0	-98.33	357.53	6.39	-91.94
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C21	REAL300000344940	1	40	-2.0	-104.27	346.90	6.49	-97.78
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000344941	1	40	-2.0	-106.54	361.66	6.51	-100.03
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C21	REAL300000344942	1	40	-2.0	-95.50	352.24	6.64	-88.86
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000344943	1	43	-2.0	-111.97	374.33	7.06	-104.91
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=C21	REAL300000344944	0	39	-2.0	-106.27	363.38	6.95	-99.32
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C21	REAL300000344945	0	37	-2.0	-96.45	348.58	5.98	-90.47
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=C21	REAL300000344946	1	43	-2.0	-108.36	371.31	7.26	-101.10
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C21	REAL300000344947	0	40	-2.0	-105.84	358.30	6.46	-99.38
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3Cl)C=C21	REAL300000344948	0	40	-2.0	-104.74	368.59	6.99	-97.75
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C21	REAL300000344949	0	40	-2.0	-113.00	361.86	6.55	-106.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NN(CC)C3=C2)C=C1C(=O)[O-]	REAL300000344950	1	43	-2.0	-109.48	370.76	7.04	-102.44
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OC)C(CC(=O)[O-])=C3)C=C21	REAL300000344951	1	44	-2.0	-109.04	387.29	5.99	-103.05
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)C=C21	REAL300000344952	1	40	-2.0	-97.44	363.08	7.04	-90.40
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000344953	1	40	-2.0	-105.27	368.05	6.82	-98.45
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C=NN(CC)C3=C2)C=C1C(=O)[O-]	REAL300000344954	0	41	-2.0	-107.39	364.85	6.08	-101.31
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000344955	1	40	-2.0	-102.29	370.57	6.93	-95.36
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C21	REAL300000344956	1	40	-2.0	-95.54	352.83	6.40	-89.14
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C21	REAL300000344957	1	40	-2.0	-105.66	356.78	6.68	-98.98
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=C21	REAL300000344958	0	39	-2.0	-115.44	360.58	7.72	-107.72
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000344959	0	37	-2.0	-112.26	340.44	5.89	-106.37
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000344960	1	40	-2.0	-100.42	361.77	6.53	-93.89
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C21	REAL300000344961	1	43	-2.0	-115.95	377.87	7.98	-107.97
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000344962	0	36	-2.0	-104.37	333.81	3.92	-100.45
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3OC)C=C21	REAL300000344963	0	41	-2.0	-99.55	365.02	5.66	-93.89
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000344964	0	34	-2.0	-95.44	336.97	4.85	-90.59
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C21	REAL300000344965	1	44	-2.0	-101.72	382.95	7.74	-93.98
CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C21	REAL300000344966	1	44	-2.0	-105.65	382.27	7.74	-97.91
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C=NN(CC)C3=C2)C=C(C(=O)[O-])O1	REAL300000344967	0	40	-2.0	-101.21	358.96	5.86	-95.35
CN(C1=CC=C(S(C)(=O)=O)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000344994	0	38	-2.0	-116.96	343.84	2.54	-114.42
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1	REAL300000345008	0	44	-2.0	-85.16	386.32	1.17	-83.99
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC=C1F	REAL300000345009	0	37	-2.0	-100.32	334.39	2.62	-97.70
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC1CCCC1	REAL300000345010	0	45	-2.0	-101.64	389.49	3.69	-97.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1	REAL300000345011	0	37	-2.0	-90.34	329.86	2.60	-87.74
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC=C1	REAL300000345012	0	37	-2.0	-102.27	329.86	2.59	-99.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC1CCCC1	REAL300000345013	0	41	-2.0	-107.26	358.01	2.40	-104.86
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1	REAL300000345014	0	41	-2.0	-90.77	361.31	3.88	-86.89
CC1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1C(=O)[O-]	REAL300000345015	0	40	-2.0	-102.73	345.91	3.12	-99.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1C	REAL300000345016	0	43	-2.0	-105.03	362.26	3.89	-101.14
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1	REAL300000345017	0	37	-2.0	-99.18	335.35	2.65	-96.53
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1	REAL300000345018	0	43	-2.0	-89.95	373.43	4.18	-85.77
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1	REAL300000345019	0	34	-2.0	-96.35	323.05	1.61	-94.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC1CCCC1	REAL300000345020	0	40	-2.0	-103.55	344.88	3.31	-100.24
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1	REAL300000345021	0	41	-2.0	-89.42	360.93	2.87	-86.55
CN1C=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1C(=O)[O-]	REAL300000345022	0	38	-2.0	-100.44	336.52	1.94	-98.50
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC1CCCC1	REAL300000345023	0	41	-2.0	-103.77	354.08	1.40	-102.37
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1	REAL300000345024	0	37	-2.0	-92.64	338.99	2.27	-90.37
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1C(=O)[O-]	REAL300000345025	0	43	-2.0	-104.52	360.94	3.85	-100.67
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CS1	REAL300000345026	0	34	-2.0	-98.08	321.51	1.62	-96.46
COC1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC(C(=O)[O-])=C1OC	REAL300000345027	0	45	-2.0	-102.38	388.17	2.40	-99.98
COC1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1C(=O)[O-]	REAL300000345028	0	41	-2.0	-107.93	357.16	2.66	-105.27
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1	REAL300000345029	0	47	-2.0	-106.47	385.10	5.13	-101.34
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC1CCCC1	REAL300000345030	0	46	-2.0	-105.02	383.77	4.58	-100.44
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC1CCCC1	REAL300000345031	0	43	-2.0	-102.07	358.09	4.14	-97.93
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC1CCCC1	REAL300000345032	0	44	-2.0	-107.06	380.30	3.16	-103.90
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC(C(=O)[O-])=C1	REAL300000345033	0	39	-3.0	-173.69	358.29	3.15	-170.54
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1	REAL300000345034	0	44	-2.0	-106.83	374.74	4.39	-102.44
CC1=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C(C(=O)[O-])O1	REAL300000345035	0	37	-2.0	-96.94	332.87	1.73	-95.21
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC2=C1OCCO2	REAL300000345036	0	43	-2.0	-106.39	372.04	2.36	-104.03
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1	REAL300000345037	0	41	-2.0	-102.23	358.77	1.69	-100.54
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)NC3CCCC3)C=C2C1	REAL300000345038	0	45	-2.0	-90.11	384.12	3.12	-86.99
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC(Cl)=C1Cl	REAL300000345039	0	37	-2.0	-92.11	357.55	3.44	-88.67
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)=CC(Cl)=C1Cl	REAL300000345039	1	36	-3.0	-206.36	355.54	2.53	-203.83
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1Cl	REAL300000345040	0	41	-2.0	-88.16	376.96	3.41	-84.75
CC1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC=C1OCC(=O)[O-]	REAL300000345041	0	44	-2.0	-89.65	381.03	3.58	-86.07
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC1CCCC1	REAL300000345042	0	40	-2.0	-94.24	350.58	3.40	-90.84
CC1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC=C1OCCCC(=O)[O-]	REAL300000345043	0	50	-2.0	-90.16	423.48	4.51	-85.65
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1F	REAL300000345044	0	41	-2.0	-89.27	367.15	2.93	-86.34
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1C(=O)[O-]	REAL300000345045	0	44	-2.0	-108.36	378.99	3.56	-104.80
CC1=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C(C(=O)[O-])S1	REAL300000345046	0	37	-2.0	-99.88	339.56	2.47	-97.41
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1	REAL300000345047	0	37	-2.0	-92.20	358.09	3.60	-88.60
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)=C1	REAL300000345047	1	36	-3.0	-204.10	356.08	2.66	-201.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C(Cl)=C1	REAL300000345048	0	37	-2.0	-88.17	342.92	3.15	-85.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1F	REAL300000345049	0	37	-2.0	-90.17	334.39	2.63	-87.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)S1	REAL300000345050	0	34	-2.0	-91.73	322.13	1.72	-90.01
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC(F)=C1	REAL300000345051	0	37	-2.0	-93.08	336.27	2.65	-90.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1F	REAL300000345052	0	40	-2.0	-100.34	355.63	3.29	-97.05
COC1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C(Cl)C=C1C(=O)[O-]	REAL300000345053	0	41	-2.0	-92.60	370.18	3.21	-89.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C(F)=C1	REAL300000345054	0	37	-2.0	-89.34	335.33	2.66	-86.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1Cl	REAL300000345055	0	37	-2.0	-88.00	342.37	2.99	-85.01
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC1CCCC1	REAL300000345056	0	40	-2.0	-95.84	359.31	3.78	-92.06
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1	REAL300000345057	0	45	-2.0	-87.91	393.61	4.00	-83.91
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1	REAL300000345058	0	39	-2.0	-87.62	358.07	3.26	-84.36
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)=C1	REAL300000345058	1	38	-3.0	-200.72	356.06	2.33	-198.39
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1	REAL300000345059	0	38	-2.0	-102.43	339.58	0.31	-102.12
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1	REAL300000345059	1	37	-3.0	-191.74	336.02	1.19	-190.55
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1	REAL300000345060	0	40	-2.0	-93.98	352.03	3.37	-90.61
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC(Cl)=C1F	REAL300000345061	0	37	-2.0	-93.36	350.58	3.12	-90.24
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)=CC(Cl)=C1F	REAL300000345061	1	36	-3.0	-205.74	348.57	2.21	-203.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)NC1CCCC1	REAL300000345062	0	40	-2.0	-97.89	339.41	3.20	-94.69
CC1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC(C(=O)[O-])=C1F	REAL300000345063	0	40	-2.0	-100.95	354.72	3.24	-97.71
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)NC1CCCC1	REAL300000345064	0	40	-2.0	-90.67	345.28	3.35	-87.32
CC1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC(C(=O)[O-])=C1C	REAL300000345065	0	43	-2.0	-105.42	367.29	3.67	-101.75
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC=C1[N+](=O)[O-]	REAL300000345066	0	39	-2.0	-100.96	356.44	3.69	-97.27
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)=CC=C1[N+](=O)[O-]	REAL300000345066	1	38	-3.0	-211.95	354.43	2.76	-209.19
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1	REAL300000345067	0	37	-2.0	-91.16	341.62	2.71	-88.45
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)=C1	REAL300000345067	1	36	-3.0	-205.19	339.61	1.79	-203.40
CC1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C(C)=C1C(=O)[O-]	REAL300000345068	0	43	-2.0	-101.75	364.35	3.98	-97.77
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1C(=O)[O-]	REAL300000345069	0	40	-2.0	-100.04	351.34	3.19	-96.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1Cl	REAL300000345070	0	40	-2.0	-99.83	361.63	3.72	-96.11
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1	REAL300000345071	0	40	-2.0	-105.75	354.90	3.28	-102.47
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1C(=O)[O-]	REAL300000345072	0	43	-2.0	-103.80	363.80	3.77	-100.03
COC1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1CC(=O)[O-]	REAL300000345073	0	44	-2.0	-103.48	380.34	2.72	-100.76
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)NC1CCCC1	REAL300000345074	0	40	-2.0	-91.43	356.66	3.73	-87.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1C(F)(F)F	REAL300000345075	0	40	-2.0	-87.35	359.97	3.40	-83.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)C=C1C(F)(F)F	REAL300000345075	1	39	-3.0	-196.05	358.59	2.43	-193.62
CC1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC(C(=O)[O-])=C1Cl	REAL300000345076	0	40	-2.0	-99.45	361.11	3.55	-95.90
CCN1C=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1C(=O)[O-]	REAL300000345077	0	41	-2.0	-101.63	357.89	2.81	-98.82
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C(C)=C1CC(=O)[O-]	REAL300000345078	0	49	-2.0	-101.43	395.02	5.47	-95.96
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CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1C(=O)[O-]	REAL300000345080	0	40	-2.0	-96.54	363.61	3.66	-92.88
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1C(=O)[O-]	REAL300000345081	0	41	-2.0	-103.77	370.19	3.21	-100.56
CC1=CC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC=C1C(=O)[O-]	REAL300000345082	0	40	-2.0	-90.39	345.87	3.13	-87.26
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CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NC1CCCC1	REAL300000345084	0	40	-2.0	-101.16	349.82	3.40	-97.76
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O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=CC=C1	REAL300000345086	0	37	-2.0	-105.09	333.53	2.62	-102.47
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C1C(=O)[O-]	REAL300000345087	0	40	-2.0	-94.83	354.81	3.27	-91.56
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O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)NC2CCCC2)=C1	REAL300000345089	0	36	-2.0	-99.04	326.10	0.71	-98.33
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)NC1CCCC1	REAL300000345090	0	41	-2.0	-94.00	358.09	2.39	-91.61
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O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)NC3CCCC3)C=C2C1	REAL300000345093	0	44	-2.0	-98.46	375.32	4.48	-93.98
CCC1=C(S(=O)(=O)[N-]NC(=O)NC2CCCC2)C=C(C(=O)[O-])O1	REAL300000345094	0	40	-2.0	-96.85	351.98	2.51	-94.34
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345096	0	39	-2.0	-120.76	351.13	8.45	-112.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345097	1	38	-2.0	-104.35	354.50	6.82	-97.53
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345100	1	40	-2.0	-122.82	361.00	8.64	-114.18
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=C2C(=O)[O-])C(C)=C1	REAL300000345101	0	42	-2.0	-108.67	358.90	6.02	-102.65
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=C2C(=O)[O-])C(C)=C1	REAL300000345103	0	41	-2.0	-104.02	357.57	7.11	-96.91
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345114	0	36	-2.0	-105.92	351.85	7.98	-97.94
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=C2C(=O)[O-])C(C)=C1	REAL300000345116	1	43	-2.0	-119.99	371.13	8.15	-111.84
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345117	1	39	-2.0	-114.67	356.03	8.92	-105.75
CC1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345118	0	36	-2.0	-111.45	334.79	7.36	-104.09
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345121	0	39	-2.0	-109.75	354.80	8.49	-101.26
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345123	1	39	-2.0	-103.92	355.71	8.49	-95.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)S1	REAL300000345127	0	39	-2.0	-112.55	356.71	8.16	-104.39
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345128	0	39	-2.0	-112.43	354.77	8.49	-103.94
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=C2C(=O)[O-])C(C)=C1	REAL300000345130	0	45	-2.0	-110.47	380.50	7.43	-103.04
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345134	0	39	-2.0	-118.27	348.37	8.42	-109.85
CC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345136	0	39	-2.0	-120.63	361.38	7.86	-112.77
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345137	0	39	-2.0	-109.19	347.44	6.06	-103.13
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=C1	REAL300000345140	0	42	-2.0	-118.39	369.79	9.08	-109.31
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=C1	REAL300000345142	1	43	-2.0	-115.59	374.07	6.71	-108.88
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=C1	REAL300000345142	1	43	-2.0	-101.82	373.23	7.54	-94.28
CC1=CC([N-]S(=O)(=O)C2=CNN=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345143	0	36	-2.0	-108.08	324.21	4.58	-103.50
CC1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345144	0	42	-2.0	-134.25	371.09	7.56	-126.69
CC1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345145	0	38	-2.0	-104.30	344.07	6.46	-97.84
CC1=CC([N-]S(=O)(=O)C2=CN(C)C=N2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345146	0	39	-2.0	-121.00	347.07	7.45	-113.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345147	1	39	-2.0	-103.06	358.61	6.70	-96.36
CC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345148	0	39	-2.0	-116.59	354.66	8.47	-108.12
CC1=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=CN1C	REAL300000345149	0	42	-2.0	-120.80	366.42	7.25	-113.55
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)C=N1	REAL300000345150	0	42	-2.0	-109.58	368.73	6.74	-102.84
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=C2C(=O)[O-])C(C)=C1	REAL300000345152	0	39	-2.0	-108.21	343.28	5.40	-102.81
CC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345156	0	39	-2.0	-117.75	347.73	5.89	-111.86
CC1=CC([N-]S(=O)(=O)C2=CC=NN2C)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345157	0	39	-2.0	-104.96	343.10	5.98	-98.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)C(F)=C1	REAL300000345163	0	42	-2.0	-117.87	369.82	9.09	-108.78
CC1=CC([N-]S(=O)(=O)C2=CNC=N2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345165	0	36	-2.0	-117.59	324.18	5.75	-111.84
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)SC=C1	REAL300000345167	0	39	-2.0	-113.81	353.60	7.99	-105.82
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345173	0	40	-2.0	-109.39	369.19	8.81	-100.58
CC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345174	0	45	-2.0	-109.66	387.39	7.27	-102.39
CC1=CC([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345176	0	45	-2.0	-120.19	386.70	6.80	-113.39
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)S1	REAL300000345181	0	41	-2.0	-109.26	367.15	6.96	-102.30
COC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)SC=C1	REAL300000345187	0	40	-2.0	-120.75	365.03	6.64	-114.11
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345188	0	42	-2.0	-115.40	372.64	8.75	-106.65
CC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345189	0	39	-2.0	-103.33	358.88	7.27	-96.06
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345190	0	39	-2.0	-117.83	363.23	7.17	-110.66
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345191	0	40	-2.0	-119.17	358.70	7.09	-112.08
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)S1	REAL300000345192	0	38	-2.0	-108.68	351.39	6.19	-102.49
CC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345195	0	45	-2.0	-120.22	388.49	8.74	-111.48
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345197	1	43	-2.0	-123.82	380.11	9.15	-114.67
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=C1	REAL300000345198	0	45	-2.0	-120.39	390.37	9.11	-111.28
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345199	0	42	-2.0	-119.29	368.65	9.07	-110.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=C(C)O1	REAL300000345201	0	42	-2.0	-110.21	365.87	7.94	-102.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)O1	REAL300000345202	0	39	-2.0	-112.69	347.50	7.16	-105.53
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=C1	REAL300000345203	0	42	-2.0	-113.47	375.85	8.74	-104.73
CC1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345204	0	38	-2.0	-104.35	354.41	6.88	-97.47
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)N=C1C	REAL300000345205	0	45	-2.0	-123.33	388.66	8.13	-115.20
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)S1	REAL300000345206	0	41	-2.0	-108.36	372.87	6.94	-101.42
CC1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345207	0	42	-2.0	-122.13	370.82	8.67	-113.46
CC1=CC([N-]S(=O)(=O)C2=CC=CO2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345212	0	36	-2.0	-111.44	325.56	6.35	-105.09
CC1=CC([N-]S(=O)(=O)C2=CN=NN2C)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345213	0	38	-2.0	-100.53	337.32	4.76	-95.77
CC1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345214	0	43	-2.0	-115.24	370.86	7.79	-107.45
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2F)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345217	0	42	-2.0	-118.69	362.24	9.15	-109.54
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=C1	REAL300000345219	0	42	-2.0	-109.94	367.24	5.65	-104.29
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)C(N)=NO1	REAL300000345223	0	40	-2.0	-102.18	349.32	5.76	-96.42
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345225	0	37	-2.0	-104.11	355.36	7.91	-96.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)C=N1	REAL300000345226	1	41	-2.0	-110.90	359.23	7.01	-103.89
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)N(C)N=C1	REAL300000345230	0	42	-2.0	-105.55	359.78	6.82	-98.73
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345231	0	37	-2.0	-105.51	346.81	6.90	-98.61
CC1=CC([N-]S(=O)(=O)C2=CSC=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345232	1	36	-2.0	-109.41	333.76	7.09	-102.32
CC1=CC([N-]S(=O)(=O)C2=COC=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345233	0	36	-2.0	-109.38	325.42	6.24	-103.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)C=N1	REAL300000345234	1	42	-2.0	-106.72	369.84	4.87	-101.85
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345236	0	36	-2.0	-111.75	350.84	7.81	-103.94
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=C1	REAL300000345237	0	39	-2.0	-111.50	356.43	8.02	-103.48
CC1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345238	0	36	-2.0	-109.04	341.15	5.16	-103.88
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345239	0	38	-2.0	-108.41	349.80	6.46	-101.95
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=C1	REAL300000345240	0	38	-2.0	-106.09	351.35	6.65	-99.44
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345244	0	36	-2.0	-113.99	341.14	7.40	-106.59
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345245	1	40	-2.0	-103.64	369.35	8.62	-95.02
CC1=CC([N-]S(=O)(=O)C2=NC=CN2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345248	0	36	-2.0	-114.09	324.52	4.93	-109.16
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)S1	REAL300000345249	0	42	-2.0	-114.85	374.32	8.89	-105.96
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)C=NN1C	REAL300000345252	0	42	-2.0	-109.79	363.52	6.58	-103.21
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=C2C(=O)[O-])C(C)=C1	REAL300000345254	0	42	-2.0	-111.04	366.24	6.71	-104.33
CC1=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345255	0	39	-2.0	-103.88	358.52	6.78	-97.10
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345260	1	44	-2.0	-123.19	379.20	8.17	-115.02
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=C2C(=O)[O-])C(C)=C1	REAL300000345265	0	38	-2.0	-103.55	341.66	6.26	-97.29
CC1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345266	0	38	-2.0	-116.10	343.38	6.53	-109.57
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345269	1	38	-2.0	-103.62	344.05	6.33	-97.29
CC1=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345271	0	37	-2.0	-117.78	353.32	7.75	-110.03
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)N1C	REAL300000345277	0	42	-2.0	-108.96	362.04	7.40	-101.56
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345278	1	40	-2.0	-103.69	370.11	8.82	-94.87
CC1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345279	0	41	-2.0	-124.56	366.05	7.54	-117.02
CC1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345279	1	41	-2.0	-111.91	366.13	7.40	-104.51
CC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345280	1	43	-2.0	-120.91	376.59	8.32	-112.59
CC1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345282	0	40	-2.0	-95.08	358.25	6.90	-88.18
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345282	1	40	-2.0	-110.32	359.05	6.12	-104.20
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=C2C(=O)[O-])C(C)=C1	REAL300000345283	0	45	-2.0	-110.78	385.71	7.51	-103.27
CC1=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345284	1	39	-2.0	-105.47	347.87	5.53	-99.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)C(C#N)=C1	REAL300000345285	1	43	-2.0	-121.59	382.41	9.30	-112.29
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345286	1	43	-2.0	-122.30	374.39	9.42	-112.88
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=C1	REAL300000345287	0	39	-2.0	-102.67	362.11	4.15	-98.52
CC1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345288	0	35	-2.0	-105.78	329.60	6.06	-99.72
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345291	0	40	-2.0	-116.63	368.66	8.77	-107.86
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=N2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345292	0	38	-2.0	-112.48	341.67	4.68	-107.80
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=C2C(=O)[O-])C(C)=C1	REAL300000345293	1	42	-2.0	-109.29	366.22	8.90	-100.39
CC1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345294	0	36	-2.0	-110.66	348.33	7.79	-102.87
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=C2C(=O)[O-])C(C)=C1	REAL300000345295	0	41	-2.0	-101.03	356.79	5.69	-95.34
CC1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345298	0	42	-2.0	-115.37	372.65	8.64	-106.73
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=C2C(=O)[O-])C(C)=C1	REAL300000345300	0	39	-2.0	-110.50	360.20	4.22	-106.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)N=CN1	REAL300000345301	0	39	-2.0	-120.82	343.27	6.38	-114.44
CC1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345303	0	36	-2.0	-109.90	348.73	7.90	-102.00
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345305	0	40	-2.0	-116.53	367.37	8.71	-107.82
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=C1	REAL300000345309	0	42	-2.0	-105.83	365.03	6.57	-99.26
COC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)C=CS1	REAL300000345313	0	40	-2.0	-116.36	365.17	6.79	-109.57
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)O1	REAL300000345315	0	42	-2.0	-112.65	368.97	7.95	-104.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)S1	REAL300000345316	0	40	-2.0	-109.52	366.67	6.81	-102.71
CC1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345317	0	42	-2.0	-107.05	375.30	6.88	-100.17
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345318	1	42	-2.0	-115.68	364.53	9.28	-106.40
CC1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345319	0	42	-2.0	-117.31	369.86	8.70	-108.61
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=N1	REAL300000345320	0	41	-2.0	-110.41	363.74	5.21	-105.20
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345321	0	36	-2.0	-106.99	342.65	6.96	-100.03
CC1=COC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=C1	REAL300000345322	0	39	-2.0	-111.74	347.47	7.02	-104.72
CC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345323	0	39	-2.0	-107.21	362.75	6.40	-100.81
CC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345324	0	37	-2.0	-111.97	344.72	6.83	-105.14
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345325	0	36	-2.0	-109.10	341.63	6.85	-102.25
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345326	0	36	-2.0	-106.15	351.67	7.87	-98.28
CC1=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345329	0	37	-2.0	-113.92	345.83	6.76	-107.16
CC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345330	0	37	-2.0	-114.16	354.91	7.69	-106.47
CC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)C)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345331	0	45	-2.0	-107.68	385.79	7.55	-100.13
CC1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345335	0	35	-2.0	-102.93	328.53	5.95	-96.98
CC1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300000345336	0	35	-2.0	-107.49	329.44	5.47	-102.02
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3C(=O)[O-])C(C)=C2)=C1	REAL300000345337	0	42	-2.0	-118.39	369.79	9.08	-109.31
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000345340	1	38	-2.0	-116.41	344.00	5.66	-110.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C(C)=O)C=C1	REAL300000345341	0	42	-2.0	-127.22	361.23	5.01	-122.21
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000345342	1	42	-2.0	-104.27	375.42	6.96	-97.31
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000345344	0	38	-2.0	-112.62	357.04	6.23	-106.39
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000345345	1	38	-2.0	-110.85	345.59	5.60	-105.25
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000345346	1	44	-2.0	-117.09	365.48	6.52	-110.57
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000345347	0	38	-2.0	-111.77	338.57	5.27	-106.50
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000345348	1	44	-2.0	-106.66	376.66	6.79	-99.87
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000345349	0	35	-2.0	-110.77	337.16	4.68	-106.09
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000345350	1	41	-2.0	-115.25	348.52	5.99	-109.26
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000345352	1	39	-2.0	-114.84	350.63	5.01	-109.83
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000345354	0	38	-2.0	-110.44	342.20	4.88	-105.56
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000345356	0	35	-2.0	-113.69	335.63	4.69	-109.00
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000345358	1	47	-2.0	-120.23	397.88	7.66	-112.57
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C(C)=O)C=C1	REAL300000345359	1	44	-2.0	-121.00	363.26	6.94	-114.06
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C(C)=O)C=C1	REAL300000345360	0	45	-2.0	-122.80	394.41	6.22	-116.58
CC(=O)N(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000345361	0	41	-2.0	-115.32	364.19	5.74	-109.58
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000345361	1	40	-3.0	-196.25	361.50	5.77	-190.48
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000345362	1	45	-2.0	-119.60	377.58	7.14	-112.46
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000345363	0	38	-2.0	-110.59	347.02	4.80	-105.79
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000345364	0	42	-2.0	-116.37	362.05	4.30	-112.07
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000345366	1	41	-2.0	-108.26	364.69	6.48	-101.78
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000345367	1	42	-2.0	-105.01	370.64	5.58	-99.43
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000345369	1	38	-2.0	-118.49	341.72	5.10	-113.39
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000345370	0	38	-2.0	-100.18	346.39	5.80	-94.38
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000345371	1	38	-2.0	-106.67	337.63	5.25	-101.42
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000345372	0	35	-2.0	-109.17	325.35	4.33	-104.84
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000345373	1	38	-2.0	-111.04	339.50	5.27	-105.77
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000345374	0	41	-2.0	-120.13	359.12	5.95	-114.18
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000345375	0	38	-2.0	-102.10	338.80	5.31	-96.79
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000345376	1	38	-2.0	-104.83	345.60	5.61	-99.22
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000345377	1	41	-2.0	-109.98	373.43	6.86	-103.12
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000345378	1	38	-2.0	-109.03	344.18	5.33	-103.70
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000345379	1	40	-2.0	-102.57	372.17	6.33	-96.24
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000345380	0	39	-2.0	-117.21	353.70	3.38	-113.83
CC(=O)N(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000345380	1	39	-2.0	-111.20	341.92	3.78	-107.42
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000345381	1	41	-2.0	-111.88	355.26	5.98	-105.90
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000345386	0	40	-2.0	-118.16	359.66	6.27	-111.89
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000345387	0	38	-2.0	-109.59	344.84	5.33	-104.26
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000345389	0	41	-2.0	-115.01	365.97	6.29	-108.72
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000345390	0	41	-2.0	-118.64	364.84	6.35	-112.29
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000345391	0	41	-2.0	-122.85	368.99	6.35	-116.50
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000345394	1	41	-2.0	-109.96	363.62	6.52	-103.44
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000345395	1	41	-2.0	-115.84	375.20	6.62	-109.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N(C)C(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000345396	1	42	-2.0	-120.20	361.36	5.46	-114.74
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000345397	1	41	-2.0	-115.06	366.48	6.31	-108.75
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000345400	0	40	-2.0	-127.34	357.10	7.10	-120.24
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000345401	0	38	-2.0	-123.99	336.75	5.23	-118.76
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000345402	1	41	-2.0	-110.96	368.67	6.30	-104.66
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000345403	1	44	-2.0	-128.72	373.90	7.41	-121.31
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000345404	0	37	-2.0	-112.78	329.55	3.35	-109.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N(C)C(C)=O)C=C1	REAL300000345405	0	42	-2.0	-112.01	361.30	5.00	-107.01
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000345406	0	35	-2.0	-107.96	333.50	4.22	-103.74
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000345407	1	45	-2.0	-113.21	377.07	7.03	-106.18
CC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000345408	1	45	-2.0	-114.72	389.43	7.54	-107.18
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N(C)C(C)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000345409	0	41	-2.0	-114.54	355.22	5.20	-109.34
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000345410	0	44	-2.0	-91.41	388.12	3.31	-88.10
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000345411	0	37	-2.0	-107.53	336.20	4.76	-102.77
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)(C)C)N=C1	REAL300000345412	0	45	-2.0	-109.19	391.27	5.82	-103.37
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000345413	0	37	-2.0	-97.72	331.65	4.73	-92.99
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000345414	0	37	-2.0	-110.13	331.67	4.72	-105.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)(C)C)N=C1	REAL300000345415	0	41	-2.0	-116.10	359.80	4.53	-111.57
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000345416	0	41	-2.0	-97.38	363.12	6.02	-91.36
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000345417	0	40	-2.0	-111.34	347.69	5.26	-106.08
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000345418	0	37	-2.0	-106.24	344.73	5.29	-100.95
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000345419	0	37	-2.0	-105.98	344.18	5.12	-100.86
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=N1	REAL300000345420	0	37	-2.0	-101.86	357.22	5.68	-96.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)=C1C	REAL300000345421	0	43	-2.0	-113.68	364.33	6.08	-107.60
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000345422	0	37	-2.0	-107.67	337.13	4.79	-102.88
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000345423	0	43	-2.0	-96.62	375.23	6.31	-90.31
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000345424	0	34	-2.0	-104.37	324.84	3.76	-100.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)(C)C)N=C1	REAL300000345425	0	40	-2.0	-111.57	347.08	5.52	-106.05
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000345426	0	41	-2.0	-96.12	362.73	5.01	-91.11
CN1C=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000345427	0	38	-2.0	-108.63	338.30	4.09	-104.54
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)(C)C)N=C1	REAL300000345428	0	41	-2.0	-112.25	355.44	3.57	-108.68
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)=C1	REAL300000345429	0	37	-2.0	-100.49	340.76	4.41	-96.08
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000345430	0	43	-2.0	-113.11	362.72	6.07	-107.04
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000345431	0	34	-2.0	-105.79	323.32	3.76	-102.03
COC1=CC(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000345432	0	45	-2.0	-110.49	390.00	4.54	-105.95
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000345433	0	41	-2.0	-116.09	358.95	4.80	-111.29
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000345434	0	47	-2.0	-115.49	386.90	7.36	-108.13
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)(C)C)N=C1	REAL300000345435	0	46	-2.0	-113.83	385.56	6.73	-107.10
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)(C)C)N=C1	REAL300000345436	0	43	-2.0	-109.96	361.83	6.45	-103.51
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)(C)C)N=C1	REAL300000345437	0	44	-2.0	-116.11	382.08	5.30	-110.81
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000345438	0	39	-3.0	-184.63	360.07	5.30	-179.33
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000345439	0	44	-2.0	-115.89	375.91	6.63	-109.26
CC1=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000345440	0	37	-2.0	-104.33	334.69	3.88	-100.45
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000345441	0	43	-2.0	-114.93	373.83	4.50	-110.43
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)=C1	REAL300000345442	0	41	-2.0	-110.69	360.57	3.82	-106.87
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000345443	0	45	-2.0	-97.44	385.28	5.34	-92.10
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000345444	0	37	-2.0	-99.75	359.35	5.57	-94.18
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000345445	0	37	-2.0	-102.92	349.25	5.31	-97.61
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000345446	0	41	-2.0	-94.57	378.77	5.55	-89.02
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000345447	0	44	-2.0	-96.55	382.81	5.71	-90.84
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=N1	REAL300000345448	0	47	-2.0	-95.40	411.41	5.97	-89.43
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)(C)C)N=C1	REAL300000345449	0	40	-2.0	-102.00	352.36	5.55	-96.45
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000345450	0	50	-2.0	-96.75	425.26	6.64	-90.11
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000345451	0	41	-2.0	-95.52	368.96	5.07	-90.45
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000345452	0	44	-2.0	-116.73	380.81	5.71	-111.02
CC1=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000345453	0	37	-2.0	-107.79	341.35	4.62	-103.17
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000345454	0	37	-2.0	-99.94	359.88	5.75	-94.19
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000345455	0	37	-2.0	-95.30	344.70	5.29	-90.01
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000345456	0	37	-2.0	-97.11	336.18	4.77	-92.34
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000345457	0	34	-2.0	-99.29	323.92	3.85	-95.44
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000345458	0	37	-2.0	-100.98	338.08	4.79	-96.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)=C1F	REAL300000345459	0	40	-2.0	-109.10	357.42	5.43	-103.67
COC1=CC(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000345460	0	41	-2.0	-99.91	371.96	5.36	-94.55
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000345461	0	37	-2.0	-96.97	337.12	4.80	-92.17
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000345462	0	37	-2.0	-95.23	344.15	5.12	-90.11
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)(C)C)N=C1	REAL300000345463	0	40	-2.0	-103.75	361.10	5.93	-97.82
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000345464	0	45	-2.0	-94.20	395.40	6.13	-88.07
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000345465	0	37	-2.0	-99.13	342.49	4.82	-94.31
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000345466	0	39	-2.0	-95.09	359.86	5.39	-89.70
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000345467	0	38	-2.0	-110.67	341.37	2.45	-108.22
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000345468	0	40	-2.0	-101.63	353.83	5.51	-96.12
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000345469	0	37	-2.0	-100.60	352.38	5.25	-95.35
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C(C)(C)C)N=C1	REAL300000345470	0	40	-2.0	-105.89	341.69	5.37	-100.52
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000345471	0	40	-2.0	-108.96	356.49	5.37	-103.59
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C(C)(C)C)N=C1	REAL300000345472	0	40	-2.0	-97.96	347.07	5.50	-92.46
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000345473	0	43	-2.0	-114.57	368.47	5.89	-108.68
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000345474	0	39	-2.0	-108.27	358.23	5.82	-102.45
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000345475	0	37	-2.0	-99.20	343.41	4.86	-94.34
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000345476	0	43	-2.0	-110.45	365.04	6.14	-104.31
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000345477	0	40	-2.0	-108.79	353.13	5.33	-103.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)=C1Cl	REAL300000345478	0	40	-2.0	-108.05	363.42	5.87	-102.18
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)=C1	REAL300000345479	0	40	-2.0	-114.35	356.69	5.41	-108.94
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000345480	0	43	-2.0	-112.04	365.61	5.91	-106.13
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C=C1CC(=O)[O-]	REAL300000345481	0	44	-2.0	-112.19	382.14	4.85	-107.34
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C(C)(C)C)N=C1	REAL300000345482	0	40	-2.0	-99.35	357.92	5.91	-93.44
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000345483	0	40	-2.0	-94.21	361.79	5.54	-88.67
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CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000345486	0	49	-2.0	-110.00	396.80	7.60	-102.40
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000345487	0	37	-2.0	-97.94	357.26	5.29	-92.65
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000345488	0	40	-2.0	-104.59	365.42	5.79	-98.80
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000345489	0	46	-2.0	-107.53	381.13	6.85	-100.68
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000345490	0	41	-2.0	-111.83	371.98	5.37	-106.46
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CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000345492	0	42	-2.0	-102.23	374.92	6.92	-95.31
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CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000345494	0	39	-2.0	-116.57	355.40	6.58	-109.99
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000345495	0	37	-2.0	-113.61	335.31	4.76	-108.85
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CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000345497	0	43	-2.0	-118.34	372.70	6.85	-111.49
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000345498	0	36	-2.0	-107.89	328.65	2.79	-105.10
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CC(C)(C)N1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000345500	0	34	-2.0	-98.05	331.80	3.71	-94.34
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000345501	0	44	-2.0	-103.44	375.64	6.55	-96.89
CC(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000345502	0	44	-2.0	-107.19	377.10	6.61	-100.58
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CN(C1=CC=CC=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000345536	0	34	-2.0	-109.07	328.22	7.16	-101.91
CN(C1=CC=CC=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000345567	0	32	-2.0	-107.54	297.00	5.31	-102.23
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CS(=O)(=O)CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000345610	1	41	-2.0	-117.66	380.65	2.79	-114.87
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C)=C1	REAL300000345611	1	37	-2.0	-100.03	344.62	6.44	-93.59
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300000345612	1	37	-2.0	-90.38	340.06	6.42	-83.96
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COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=C1	REAL300000345618	1	37	-2.0	-98.24	352.59	6.80	-91.44
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COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1	REAL300000345622	0	34	-2.0	-96.81	333.26	5.43	-91.38
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C)=C1	REAL300000345623	1	40	-2.0	-103.44	355.51	7.19	-96.25
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C)=C1	REAL300000345624	1	41	-2.0	-88.87	371.14	6.70	-82.17
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000345625	0	38	-2.0	-100.64	346.72	5.77	-94.87
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C)=C1	REAL300000345626	1	41	-2.0	-104.23	363.85	5.25	-98.98
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=C1	REAL300000345627	0	37	-2.0	-92.98	349.18	6.10	-86.88
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C)=C1	REAL300000345628	1	43	-2.0	-105.96	375.52	7.83	-98.13
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1	REAL300000345629	0	34	-2.0	-98.19	331.72	5.45	-92.74
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(C)=C1	REAL300000345630	1	41	-2.0	-108.10	367.36	6.48	-101.62
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C)=C1	REAL300000345631	1	46	-2.0	-105.32	393.97	8.42	-96.90
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC)C=C1C	REAL300000345632	1	43	-2.0	-101.99	369.42	8.12	-93.87
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000345633	0	44	-2.0	-107.08	390.50	6.98	-100.10
COC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000345634	0	40	-2.0	-109.10	366.94	6.88	-102.22
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000345634	1	39	-3.0	-176.33	368.48	6.98	-169.35
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C)=C1	REAL300000345635	1	44	-2.0	-107.21	384.32	8.30	-98.91
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000345636	0	37	-2.0	-96.74	343.08	5.55	-91.19
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000345637	0	41	-2.0	-103.07	368.99	5.51	-97.56
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(C)=C1	REAL300000345638	1	44	-2.0	-89.22	391.23	7.40	-81.82
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=C1	REAL300000345639	1	40	-2.0	-94.34	360.78	7.23	-87.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C)=C1	REAL300000345640	1	41	-2.0	-88.58	377.38	6.76	-81.82
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2C)C=C1C(=O)[O-]	REAL300000345641	1	44	-2.0	-108.64	389.22	7.39	-101.25
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300000345642	0	37	-2.0	-99.90	349.76	6.30	-93.60
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=C1	REAL300000345643	0	37	-2.0	-88.05	353.13	6.98	-81.07
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=C1	REAL300000345644	1	37	-2.0	-90.12	344.60	6.45	-83.67
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1	REAL300000345645	0	34	-2.0	-91.95	332.34	5.54	-86.41
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000345646	0	37	-2.0	-93.36	346.49	6.48	-86.88
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C)=C1	REAL300000345647	0	40	-2.0	-100.70	365.83	7.12	-93.58
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300000345648	0	37	-2.0	-89.59	345.52	6.48	-83.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=C1	REAL300000345649	1	37	-2.0	-88.09	352.57	6.81	-81.28
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C)=C1	REAL300000345650	1	40	-2.0	-95.94	369.52	7.61	-88.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C)=C1	REAL300000345651	1	37	-2.0	-91.96	350.90	6.50	-85.46
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C)=C1	REAL300000345652	0	39	-2.0	-87.75	368.26	7.08	-80.67
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1	REAL300000345653	0	38	-2.0	-102.44	349.79	4.11	-98.33
COC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1	REAL300000345653	1	38	-2.0	-103.63	344.00	4.99	-98.64
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)=C1	REAL300000345654	1	40	-2.0	-93.61	362.25	7.20	-86.41
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C)=C1	REAL300000345655	1	40	-2.0	-98.41	350.11	7.05	-91.36
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C)=C1	REAL300000345656	1	40	-2.0	-101.35	364.91	7.06	-94.29
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C)=C1	REAL300000345657	1	40	-2.0	-90.80	355.48	7.18	-83.62
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000345658	1	43	-2.0	-104.98	372.95	7.48	-97.50
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300000345659	0	39	-2.0	-101.23	366.65	7.51	-93.72
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=C1	REAL300000345660	0	37	-2.0	-91.28	351.83	6.54	-84.74
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C)=C1	REAL300000345661	1	43	-2.0	-102.72	373.60	7.81	-94.91
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C)=C1	REAL300000345662	0	40	-2.0	-101.65	365.39	7.11	-94.54
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C)=C1	REAL300000345663	0	40	-2.0	-99.70	371.83	7.55	-92.15
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000345664	0	40	-2.0	-106.70	365.12	7.10	-99.60
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2C)C=C1C(=O)[O-]	REAL300000345665	1	43	-2.0	-103.89	374.04	7.60	-96.29
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C(C)=C1	REAL300000345666	1	44	-2.0	-104.40	390.55	6.54	-97.86
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C)=C1	REAL300000345667	1	40	-2.0	-91.88	366.33	7.59	-84.29
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(C)=C1	REAL300000345668	1	40	-2.0	-99.90	371.30	7.37	-92.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2C)C=C1C(=O)[O-]	REAL300000345669	0	41	-2.0	-101.86	368.09	6.63	-95.23
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000345670	1	40	-2.0	-96.82	373.84	7.48	-89.34
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C)=C1	REAL300000345671	1	40	-2.0	-92.03	360.14	7.06	-84.97
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C)=C1	REAL300000345672	1	40	-2.0	-101.39	359.61	7.25	-94.14
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CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CN=N1	REAL300000345964	0	43	-2.0	-119.26	368.44	7.22	-112.04
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CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)C=C1C(=O)[O-]	REAL300000345975	1	41	-2.0	-126.68	364.77	6.20	-120.48
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O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)C=C1	REAL300000345988	0	37	-2.0	-109.43	337.81	6.00	-103.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)=CC(Cl)=C1F	REAL300000345989	0	34	-2.0	-110.45	336.35	5.75	-104.70
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CN=N1	REAL300000345990	1	37	-2.0	-117.40	325.67	5.85	-111.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)=CC(C(=O)[O-])=C1F	REAL300000345991	1	37	-2.0	-118.92	340.48	5.87	-113.05
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CN=N1	REAL300000345992	1	37	-2.0	-106.75	331.04	5.99	-100.76
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)=CC(C(=O)[O-])=C1C	REAL300000345993	1	40	-2.0	-124.91	353.13	6.42	-118.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)=CC=C1[N+](=O)[O-]	REAL300000345994	0	36	-2.0	-118.13	342.19	6.32	-111.81
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)=C1	REAL300000345995	0	34	-2.0	-108.45	327.37	5.35	-103.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)C(C)=C1C(=O)[O-]	REAL300000345996	1	40	-2.0	-122.18	349.16	6.63	-115.55
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)C=C1C(=O)[O-]	REAL300000345997	0	37	-2.0	-118.60	340.95	5.91	-112.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)=C1Cl	REAL300000345998	0	37	-2.0	-115.34	347.39	6.36	-108.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)=C1	REAL300000345999	0	37	-2.0	-127.01	340.67	5.91	-121.10
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)C=C1C(=O)[O-]	REAL300000346000	1	40	-2.0	-122.16	349.95	6.41	-115.75
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)C=C1CC(=O)[O-]	REAL300000346001	1	41	-2.0	-124.29	366.09	5.35	-118.94
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CN=N1	REAL300000346002	0	37	-2.0	-110.48	341.89	6.41	-104.07
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)=CC(C(=O)[O-])=C1Cl	REAL300000346003	0	37	-2.0	-117.78	346.87	6.18	-111.60
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)C=C1C(=O)[O-]	REAL300000346004	0	38	-2.0	-119.82	343.65	5.43	-114.39
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)C=C1C(=O)[O-]	REAL300000346005	0	37	-2.0	-114.80	349.40	6.29	-108.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)=CC=C1C(=O)[O-]	REAL300000346006	1	37	-2.0	-107.70	331.64	5.77	-101.93
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CN=N1	REAL300000346007	1	37	-2.0	-115.82	335.16	6.06	-109.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)=C1[N+](=O)[O-]	REAL300000346008	0	36	-2.0	-127.57	339.37	7.07	-120.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)=C1F	REAL300000346009	0	34	-2.0	-125.99	319.27	5.25	-120.74
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)C=C1C(=O)[O-]	REAL300000346010	0	37	-2.0	-113.10	340.59	5.90	-107.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)=CC2=CC=CC=C21	REAL300000346011	0	40	-2.0	-128.99	356.67	7.34	-121.65
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)=C1	REAL300000346012	0	33	-2.0	-114.74	312.62	3.28	-111.46
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CN=N1	REAL300000346013	0	38	-2.0	-110.96	343.83	5.02	-105.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)=C(Cl)O1	REAL300000346014	0	31	-2.0	-107.34	315.74	4.20	-103.14
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CN=N3)C=C2)CC1	REAL300000346015	0	41	-2.0	-112.45	361.76	7.11	-105.34
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CN=N3)C=C2C1	REAL300000346016	0	41	-2.0	-118.86	359.72	7.08	-111.78
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CN=N2)C=C(C(=O)[O-])O1	REAL300000346017	0	37	-2.0	-111.06	333.76	5.23	-105.83
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000346020	1	38	-2.0	-111.81	342.40	4.70	-107.11
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000346021	0	42	-2.0	-116.83	370.52	4.51	-112.32
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000346022	1	42	-2.0	-99.56	373.83	6.01	-93.55
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000346024	0	38	-2.0	-114.06	355.46	5.28	-108.78
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000346025	1	38	-2.0	-113.66	354.89	5.10	-108.56
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000346027	0	38	-2.0	-115.66	347.86	4.77	-110.89
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000346028	1	44	-2.0	-98.60	385.95	6.29	-92.31
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000346029	0	35	-2.0	-111.80	335.57	3.73	-108.07
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000346032	1	39	-2.0	-110.40	349.03	4.07	-106.33
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000346034	0	38	-2.0	-107.10	351.51	4.40	-102.70
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000346036	0	35	-2.0	-112.40	334.03	3.74	-108.66
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000346038	1	47	-2.0	-114.29	396.28	6.72	-107.57
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1	REAL300000346039	1	44	-2.0	-110.42	372.55	6.44	-103.98
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000346040	0	45	-2.0	-117.95	392.81	5.27	-112.68
CCC(=O)NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000346041	0	41	-2.0	-121.87	373.48	5.23	-116.64
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000346041	1	40	-3.0	-192.70	370.79	5.28	-187.42
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000346042	1	45	-2.0	-124.20	386.63	6.61	-117.59
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000346043	0	38	-2.0	-105.49	345.41	3.85	-101.64
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000346044	0	42	-2.0	-117.61	371.35	3.80	-113.81
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000346046	1	41	-2.0	-102.93	363.09	5.53	-97.40
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000346047	1	42	-2.0	-97.61	379.67	5.05	-92.56
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000346049	1	38	-2.0	-108.77	351.01	4.60	-104.17
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000346050	0	38	-2.0	-101.77	355.44	5.27	-96.50
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000346051	1	38	-2.0	-99.60	346.92	4.75	-94.85
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000346052	0	35	-2.0	-101.84	334.64	3.83	-98.01
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000346053	1	38	-2.0	-108.47	348.79	4.78	-103.69
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000346054	0	41	-2.0	-117.07	368.14	5.41	-111.66
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000346055	0	38	-2.0	-103.48	347.85	4.78	-98.70
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000346056	1	38	-2.0	-97.60	354.88	5.11	-92.49
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000346057	1	41	-2.0	-104.53	371.83	5.91	-98.62
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000346058	1	38	-2.0	-105.36	353.20	4.80	-100.56
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000346059	1	40	-2.0	-97.10	370.57	5.38	-91.72
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000346060	0	39	-2.0	-110.94	352.10	2.41	-108.53
CCC(=O)NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000346060	1	39	-2.0	-118.54	351.33	3.26	-115.28
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000346061	1	41	-2.0	-103.06	364.55	5.49	-97.57
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000346066	0	40	-2.0	-111.31	368.90	5.81	-105.50
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000346067	0	38	-2.0	-106.67	354.14	4.84	-101.83
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000346069	0	41	-2.0	-116.83	363.93	5.31	-111.52
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000346070	0	41	-2.0	-115.82	374.15	5.85	-109.97
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000346071	0	41	-2.0	-120.79	367.40	5.40	-115.39
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000346074	1	41	-2.0	-105.55	369.18	5.86	-99.69
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000346075	1	41	-2.0	-114.18	373.61	5.67	-108.51
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000346076	1	42	-2.0	-111.68	370.40	4.93	-106.75
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000346077	1	41	-2.0	-111.38	376.00	5.80	-105.58
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000346080	0	40	-2.0	-121.23	366.13	6.57	-114.66
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000346081	0	38	-2.0	-117.82	346.04	4.75	-113.07
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000346082	1	41	-2.0	-105.65	367.27	5.39	-100.26
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000346083	1	44	-2.0	-119.94	383.38	6.83	-113.11
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000346084	0	37	-2.0	-114.61	338.59	2.82	-111.79
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000346085	0	42	-2.0	-108.88	370.59	4.51	-104.37
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000346086	0	35	-2.0	-99.73	342.52	3.69	-96.04
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000346087	1	45	-2.0	-105.69	386.36	6.53	-99.16
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000346088	1	45	-2.0	-114.39	387.83	6.60	-107.79
CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000346089	0	41	-2.0	-105.25	364.50	4.71	-100.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)C=C1	REAL300000346090	1	34	-2.0	-98.94	349.36	5.41	-93.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)=C1	REAL300000346091	1	34	-2.0	-110.78	349.40	5.39	-105.39
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)=C1	REAL300000346092	0	31	-2.0	-105.39	342.57	4.42	-100.97
CN1C=C(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)C=C1C(=O)[O-]	REAL300000346093	0	35	-2.0	-109.24	356.04	4.76	-104.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)=CS1	REAL300000346094	0	31	-2.0	-108.07	341.04	4.44	-103.63
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)C=C(C(=O)[O-])O1	REAL300000346095	0	34	-2.0	-104.76	352.42	4.54	-100.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)S1	REAL300000346096	0	31	-2.0	-100.92	341.65	4.53	-96.39
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(SC3=NN=CS3)C=C2)=C1	REAL300000346097	0	33	-2.0	-109.82	345.60	3.52	-106.30
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1)OC(C)C2	REAL300000346098	0	43	-2.0	-116.51	378.15	5.89	-110.62
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)OC(C)C2	REAL300000346099	0	43	-2.0	-105.71	373.73	5.87	-99.84
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)OC(C)C2	REAL300000346100	0	43	-2.0	-119.48	373.62	5.85	-113.63
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)OC(C)C2	REAL300000346101	0	46	-2.0	-122.08	393.69	6.51	-115.57
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)OC(C)C2	REAL300000346102	0	43	-2.0	-117.21	379.05	5.92	-111.29
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)OC(C)C2	REAL300000346103	0	40	-2.0	-113.41	366.76	4.88	-108.53
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)OC(C)C2	REAL300000346104	0	46	-2.0	-120.30	389.00	6.64	-113.66
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)OC(C)C2	REAL300000346105	0	44	-2.0	-117.18	380.41	5.22	-111.96
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1)OC(C)C2	REAL300000346106	0	43	-2.0	-109.06	382.90	5.55	-103.51
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)OC(C)C2	REAL300000346107	0	40	-2.0	-114.58	365.42	4.92	-109.66
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)OC(C)C2	REAL300000346108	0	43	-2.0	-112.22	376.77	5.00	-107.22
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1)OC(C)C2	REAL300000346109	0	43	-2.0	-116.38	382.20	5.75	-110.63
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)OC(C)C2	REAL300000346110	0	43	-2.0	-105.24	378.13	5.90	-99.34
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)OC(C)C2	REAL300000346111	0	40	-2.0	-107.69	366.02	4.99	-102.70
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)OC(C)C2	REAL300000346112	0	43	-2.0	-109.99	380.02	5.92	-104.07
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)OC(C)C2	REAL300000346113	0	43	-2.0	-105.73	379.04	5.92	-99.81
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)OC(C)C2	REAL300000346114	0	44	-2.0	-119.14	383.29	3.57	-115.57
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)OC(C)C2	REAL300000346115	0	46	-2.0	-110.15	395.80	6.65	-103.50
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)OC(C)C2	REAL300000346116	0	46	-2.0	-114.91	383.78	6.52	-108.39
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)OC(C)C2	REAL300000346117	0	46	-2.0	-106.01	388.99	6.62	-99.39
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1)OC(C)C2	REAL300000346118	0	47	-2.0	-119.02	401.64	6.08	-112.94
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)OC(C)C2	REAL300000346119	0	46	-2.0	-105.98	389.77	6.41	-99.57
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)OC(C)C2	REAL300000346120	0	43	-2.0	-123.23	377.38	5.89	-117.34
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)OC(C)C2	REAL300000346121	0	42	-2.0	-117.16	369.98	4.00	-113.16
CCOC1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1)OC(C)C2	REAL300000346122	0	46	-2.0	-111.89	395.89	5.85	-106.04
CC(C)OCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000346123	1	48	-2.0	-98.96	418.35	6.69	-92.27
CC(C)OCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000346124	1	48	-2.0	-111.69	418.35	6.68	-105.01
CC(C)OCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000346125	0	45	-2.0	-106.02	411.54	5.70	-100.32
CC(C)OCCOCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000346126	0	49	-2.0	-109.78	425.00	6.03	-103.75
CC(C)OCCOCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000346127	0	45	-2.0	-107.44	410.00	5.72	-101.72
CC1=C(S(=O)(=O)[N-]C2=CC=CC(COCCOC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000346128	0	48	-2.0	-105.02	421.36	5.82	-99.20
CC(C)OCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000346129	0	45	-2.0	-100.91	410.62	5.81	-95.10
CC(C)OCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000346130	0	47	-2.0	-109.65	414.57	4.82	-104.83
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1OC	REAL300000346133	1	39	-2.0	-107.10	346.28	5.13	-101.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1OC	REAL300000346134	0	43	-2.0	-112.58	374.41	4.92	-107.66
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1OC	REAL300000346135	1	43	-2.0	-94.67	377.73	6.42	-88.25
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1OC	REAL300000346137	0	39	-2.0	-102.92	359.34	5.70	-97.22
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1OC	REAL300000346138	1	39	-2.0	-103.04	358.78	5.52	-97.52
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1OC	REAL300000346139	1	45	-2.0	-110.33	378.95	6.47	-103.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1OC	REAL300000346140	0	39	-2.0	-104.40	351.75	5.19	-99.21
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1OC	REAL300000346141	1	45	-2.0	-93.91	389.84	6.72	-87.19
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1OC	REAL300000346142	0	36	-2.0	-101.45	339.46	4.14	-97.31
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1OC	REAL300000346143	1	42	-2.0	-108.19	361.70	5.91	-102.28
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000346145	1	40	-2.0	-105.57	352.92	4.47	-101.10
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1OC	REAL300000346147	0	39	-2.0	-97.58	355.40	4.80	-92.78
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1OC	REAL300000346149	0	36	-2.0	-102.92	337.92	4.16	-98.76
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1OC	REAL300000346151	1	48	-2.0	-110.39	400.17	7.13	-103.26
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1OC	REAL300000346152	1	45	-2.0	-106.72	376.42	6.84	-99.88
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1OC	REAL300000346153	0	46	-2.0	-113.13	396.70	5.68	-107.45
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1OC	REAL300000346154	0	42	-2.0	-110.72	377.15	5.69	-105.03
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1OC	REAL300000346154	1	41	-3.0	-181.32	374.69	5.69	-175.63
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1OC	REAL300000346155	1	46	-2.0	-112.29	390.54	7.03	-105.26
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1OC	REAL300000346156	0	39	-2.0	-101.17	349.28	4.26	-96.91
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1OC	REAL300000346157	0	43	-2.0	-108.28	375.26	4.21	-104.07
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1OC	REAL300000346159	1	42	-2.0	-98.78	366.98	5.94	-92.84
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1OC	REAL300000346160	1	43	-2.0	-92.83	383.57	5.47	-87.36
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1OC	REAL300000346162	1	39	-2.0	-104.61	354.87	5.02	-99.59
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1OC	REAL300000346163	0	39	-2.0	-92.53	359.33	5.69	-86.84
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OC	REAL300000346164	1	39	-2.0	-94.35	350.80	5.17	-89.18
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1OC	REAL300000346165	0	36	-2.0	-96.40	338.54	4.26	-92.14
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OC	REAL300000346166	1	39	-2.0	-98.03	352.68	5.19	-92.84
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1OC	REAL300000346167	0	42	-2.0	-105.66	372.05	5.83	-99.83
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1OC	REAL300000346168	0	39	-2.0	-94.20	351.74	5.20	-89.00
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1OC	REAL300000346169	1	39	-2.0	-92.43	358.77	5.53	-86.90
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1OC	REAL300000346170	1	42	-2.0	-100.50	375.72	6.32	-94.18
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1OC	REAL300000346171	1	39	-2.0	-96.31	357.09	5.22	-91.09
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1OC	REAL300000346172	1	41	-2.0	-92.27	374.46	5.80	-86.47
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1OC	REAL300000346173	0	40	-2.0	-107.14	355.99	2.84	-104.30
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1OC	REAL300000346173	1	40	-2.0	-104.90	344.98	3.73	-101.17
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1OC	REAL300000346174	1	42	-2.0	-98.29	368.44	5.91	-92.38
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1OC	REAL300000346175	1	42	-2.0	-103.41	356.35	5.77	-97.64
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1OC	REAL300000346179	0	41	-2.0	-105.57	372.83	6.21	-99.36
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1OC	REAL300000346180	0	39	-2.0	-96.00	358.03	5.25	-90.75
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1OC	REAL300000346182	0	42	-2.0	-105.37	367.75	5.73	-99.64
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1OC	REAL300000346183	0	42	-2.0	-104.65	378.02	6.25	-98.40
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1OC	REAL300000346184	0	42	-2.0	-111.90	371.31	5.82	-106.08
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1OC	REAL300000346187	1	42	-2.0	-96.68	372.54	6.30	-90.38
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1OC	REAL300000346188	1	42	-2.0	-104.76	377.51	6.08	-98.68
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1OC	REAL300000346189	1	43	-2.0	-106.86	374.28	5.34	-101.52
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000346190	1	42	-2.0	-101.64	380.01	6.19	-95.45
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1OC	REAL300000346193	0	41	-2.0	-114.23	370.00	6.97	-107.26
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1OC	REAL300000346194	0	39	-2.0	-111.18	349.89	5.15	-106.03
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000346195	1	42	-2.0	-99.84	371.21	5.80	-94.04
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1OC	REAL300000346196	0	38	-2.0	-104.20	343.26	3.18	-101.02
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1OC	REAL300000346197	0	43	-2.0	-99.00	374.48	4.92	-94.08
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1OC	REAL300000346198	0	36	-2.0	-95.02	346.43	4.11	-90.91
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1OC	REAL300000346199	1	46	-2.0	-101.39	392.40	7.01	-94.38
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1OC	REAL300000346200	1	46	-2.0	-104.74	391.71	7.01	-97.73
CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1OC	REAL300000346201	0	42	-2.0	-101.14	368.41	5.11	-96.03
CC1=CC(SC(C)(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000346204	1	44	-2.0	-106.46	386.55	8.84	-97.62
CC1=CC(SC(C)(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000346206	0	44	-2.0	-104.80	380.92	8.51	-96.29
CC1=CC(SC(C)(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000346207	0	41	-2.0	-101.66	368.65	7.46	-94.20
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)(C)C)C=C1C	REAL300000346208	1	47	-2.0	-108.54	390.89	9.22	-99.32
CC1=CC(SC(C)(C)C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000346209	1	45	-2.0	-104.65	393.19	8.19	-96.46
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2C)=C1	REAL300000346210	0	44	-2.0	-97.61	384.57	8.13	-89.48
CC1=CC(SC(C)(C)C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000346211	0	41	-2.0	-101.70	378.20	7.87	-93.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2C)C=C(C(=O)[O-])O1	REAL300000346212	0	44	-2.0	-101.26	378.48	7.58	-93.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2C)C=C(C(=O)[O-])S1	REAL300000346213	1	44	-2.0	-104.73	385.15	8.33	-96.40
CC1=CC(SC(C)(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000346214	1	44	-2.0	-94.13	379.98	8.48	-85.65
CC1=CC(SC(C)(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000346215	0	41	-2.0	-96.43	367.72	7.57	-88.86
CC1=CC(SC(C)(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000346216	1	44	-2.0	-98.09	381.88	8.51	-89.58
CC1=CC(SC(C)(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000346217	0	44	-2.0	-94.12	380.91	8.51	-85.61
CC1=CC(SC(C)(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000346218	0	45	-2.0	-106.71	396.26	6.55	-100.16
CC1=CC(SC(C)(C)C)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000346218	1	45	-2.0	-105.57	379.73	7.06	-98.51
CC1=CC(SC(C)(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000346219	1	47	-2.0	-98.18	397.64	9.23	-88.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2C)C=C1C(=O)[O-]	REAL300000346222	1	48	-2.0	-105.96	414.56	9.06	-96.90
CC1=CC(SC(C)(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000346224	0	44	-2.0	-111.22	379.10	8.47	-102.75
CC1=CC(SC(C)(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000346225	0	43	-2.0	-105.12	371.67	6.56	-98.56
CCC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2C)C=C(C(=O)[O-])O1	REAL300000346226	0	47	-2.0	-101.15	397.59	8.43	-92.72
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000346227	1	40	-2.0	-110.23	359.49	7.47	-102.76
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000346229	1	40	-2.0	-113.19	354.96	7.44	-105.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=NC=C2)=CC=C1C	REAL300000346230	0	44	-2.0	-119.53	383.10	7.23	-112.30
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000346231	1	44	-2.0	-99.11	386.41	8.74	-90.37
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000346233	1	46	-2.0	-116.57	388.06	8.76	-107.81
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000346234	0	40	-2.0	-111.20	360.44	7.50	-103.70
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000346235	1	46	-2.0	-98.60	398.53	9.03	-89.57
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000346236	0	37	-2.0	-107.33	348.15	6.45	-100.88
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000346237	1	43	-2.0	-114.70	370.39	8.22	-106.48
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000346239	1	41	-2.0	-111.34	361.61	6.78	-104.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C3=CC=NC=C3)=CC=C2C)=C1	REAL300000346241	0	40	-2.0	-103.29	364.07	7.13	-96.16
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000346243	0	37	-2.0	-108.64	346.61	6.47	-102.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=NC=C2)=CC=C1C	REAL300000346245	1	46	-2.0	-112.81	384.53	9.15	-103.66
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=NC=C3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000346246	0	40	-2.0	-107.23	357.97	6.57	-100.66
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C3=CC=NC=C3)=CC=C2C)=C1	REAL300000346247	0	44	-2.0	-113.74	383.92	6.53	-107.21
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=NC=C3)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000346248	1	40	-2.0	-110.67	364.65	7.32	-103.35
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000346249	1	40	-2.0	-99.31	359.48	7.48	-91.83
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000346250	0	37	-2.0	-101.96	347.22	6.57	-95.39
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000346251	1	40	-2.0	-103.71	361.37	7.50	-96.21
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000346252	0	40	-2.0	-99.61	360.42	7.51	-92.10
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000346253	0	41	-2.0	-113.93	364.67	5.15	-108.78
CC1=CC=C(C2=CC=NC=C2)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000346253	1	41	-2.0	-111.68	362.10	5.99	-105.69
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000346254	1	43	-2.0	-104.17	377.14	8.22	-95.95
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000346255	1	43	-2.0	-108.50	364.99	8.07	-100.43
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=CC=NC=C3)=CC=C2C)C=C1C(=O)[O-]	REAL300000346260	1	44	-2.0	-112.61	382.91	7.64	-104.97
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000346262	0	40	-2.0	-116.73	358.60	7.46	-109.27
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000346263	0	39	-2.0	-111.38	351.93	5.50	-105.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C2=CC=NC=C2)=CC=C1C	REAL300000346264	0	44	-2.0	-104.59	383.16	7.23	-97.36
CC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000346265	0	37	-2.0	-100.64	355.06	6.41	-94.23
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=NC=C3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000346266	0	43	-2.0	-107.01	377.08	7.42	-99.59
CN(C1=CC(F)=CC=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000346295	0	34	-2.0	-110.14	334.63	7.23	-102.91
CN(C1=CC(F)=CC=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000346323	0	32	-2.0	-106.69	303.51	5.38	-101.31
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000346360	1	41	-2.0	-105.08	360.09	7.72	-97.36
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000346362	1	41	-2.0	-107.11	355.58	7.67	-99.44
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)(C)C)C=C1	REAL300000346363	0	45	-2.0	-112.54	383.71	7.47	-105.07
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000346364	1	45	-2.0	-93.98	387.01	8.98	-85.00
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000346366	0	41	-2.0	-103.61	368.63	8.26	-95.35
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000346367	1	41	-2.0	-103.56	368.06	8.08	-95.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2)=C1C	REAL300000346368	1	47	-2.0	-110.92	387.96	8.99	-101.93
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000346369	0	41	-2.0	-105.21	361.04	7.75	-97.46
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000346370	1	47	-2.0	-93.25	399.13	9.27	-83.98
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000346371	0	38	-2.0	-101.89	348.75	6.70	-95.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)(C)C)C=C1	REAL300000346372	1	44	-2.0	-108.01	371.00	8.46	-99.55
CN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000346374	1	42	-2.0	-105.37	362.21	7.04	-98.33
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2)=C1	REAL300000346376	0	41	-2.0	-97.36	364.67	7.36	-90.00
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000346378	0	38	-2.0	-103.40	347.21	6.72	-96.68
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)(C)C)C=C1	REAL300000346380	1	47	-2.0	-106.38	385.75	9.41	-96.97
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000346381	0	41	-2.0	-100.81	358.60	6.82	-93.99
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2)=C1	REAL300000346382	0	45	-2.0	-108.80	384.52	6.77	-102.03
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)(C)C)C=C1	REAL300000346383	1	44	-2.0	-99.42	376.28	8.51	-90.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000346384	1	41	-2.0	-104.38	364.19	7.58	-96.80
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000346385	0	41	-2.0	-92.75	368.61	8.25	-84.50
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000346386	1	41	-2.0	-93.90	360.10	7.73	-86.17
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000346387	0	38	-2.0	-96.13	347.83	6.81	-89.32
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000346388	1	41	-2.0	-98.50	361.96	7.75	-90.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2)=C1F	REAL300000346389	0	44	-2.0	-106.64	381.32	8.39	-98.25
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000346390	0	41	-2.0	-94.46	361.02	7.76	-86.70
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000346391	1	41	-2.0	-92.01	368.07	8.09	-83.92
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000346392	0	42	-2.0	-106.85	365.28	5.39	-101.46
CC(C)(C)SC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000346392	1	42	-2.0	-106.59	364.09	6.35	-100.24
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000346393	1	44	-2.0	-97.92	377.73	8.46	-89.46
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)(C)C)C=C1	REAL300000346394	1	44	-2.0	-104.68	369.20	8.46	-96.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2)=CC(C(=O)[O-])=C1F	REAL300000346395	1	44	-2.0	-106.59	380.39	8.34	-98.25
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000346399	0	44	-2.0	-106.23	377.05	8.30	-97.93
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2)=C1	REAL300000346400	0	44	-2.0	-112.41	380.57	8.38	-104.03
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000346402	1	45	-2.0	-106.72	383.57	7.90	-98.82
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000346405	0	41	-2.0	-111.29	359.22	7.72	-103.57
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000346406	1	44	-2.0	-100.59	381.21	8.37	-92.22
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000346407	0	40	-2.0	-105.47	351.77	5.80	-99.67
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)(C)C)C=C1	REAL300000346408	0	45	-2.0	-99.48	383.76	7.48	-92.00
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000346409	0	38	-2.0	-94.67	355.72	6.66	-88.01
CCC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000346410	0	44	-2.0	-100.73	377.70	7.68	-93.05
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000346411	1	32	-2.0	-96.77	335.73	5.54	-91.23
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300000346412	1	32	-2.0	-87.50	331.18	5.52	-81.98
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000346413	1	32	-2.0	-99.41	331.19	5.51	-93.90
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000346414	1	35	-2.0	-99.93	347.21	6.05	-93.88
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000346415	0	32	-2.0	-96.56	336.67	5.58	-90.98
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000346416	0	29	-2.0	-93.46	324.37	4.53	-88.93
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1Cl	REAL300000346417	1	35	-2.0	-100.73	346.62	6.31	-94.42
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000346418	0	33	-2.0	-97.85	337.84	4.87	-92.98
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1Cl	REAL300000346419	0	32	-2.0	-89.96	340.30	5.19	-84.77
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000346420	0	29	-2.0	-94.95	322.84	4.55	-90.40
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000346421	0	32	-2.0	-94.01	334.19	4.65	-89.36
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300000346422	1	32	-2.0	-97.37	339.81	5.40	-91.97
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000346423	1	32	-2.0	-87.19	335.72	5.55	-81.64
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000346424	0	29	-2.0	-88.73	323.46	4.64	-84.09
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000346425	1	32	-2.0	-90.52	337.61	5.57	-84.95
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000346426	0	32	-2.0	-86.59	336.64	5.58	-81.01
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000346427	0	33	-2.0	-99.74	340.90	3.22	-96.52
COC1=C(Cl)C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000346427	1	33	-2.0	-102.02	340.00	4.08	-97.94
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000346428	1	35	-2.0	-90.85	353.36	6.29	-84.56
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000346429	1	35	-2.0	-96.38	345.03	6.25	-90.13
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(OC)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000346431	0	36	-2.0	-99.06	359.13	5.72	-93.34
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1Cl	REAL300000346432	1	35	-2.0	-89.07	351.26	6.16	-82.91
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000346433	0	32	-2.0	-102.56	334.85	5.55	-97.01
COC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000346434	0	31	-2.0	-96.55	328.18	3.57	-92.98
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(OC)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000346435	0	35	-2.0	-94.01	353.31	5.51	-88.50
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000346436	0	35	-2.0	-98.22	337.42	4.22	-94.00
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000346437	0	35	-2.0	-87.87	332.86	4.20	-83.67
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000346438	0	35	-2.0	-100.03	332.88	4.19	-95.84
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000346439	0	39	-2.0	-88.45	364.36	5.47	-82.98
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000346440	0	38	-2.0	-100.74	348.35	4.71	-96.03
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000346441	0	41	-2.0	-102.87	366.10	5.53	-97.34
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000346442	0	35	-2.0	-97.78	338.34	4.25	-93.53
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000346443	0	41	-2.0	-87.83	376.47	5.76	-82.07
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000346444	0	32	-2.0	-94.44	326.07	3.20	-91.24
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000346445	0	38	-2.0	-101.02	349.16	4.95	-96.07
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000346446	0	36	-2.0	-98.29	339.52	3.53	-94.76
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000346447	0	35	-2.0	-89.73	341.71	3.88	-85.85
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000346448	1	41	-2.0	-102.13	363.84	5.51	-96.62
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000346449	0	32	-2.0	-95.97	324.53	3.22	-92.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1NC(C)=O	REAL300000346450	0	41	-2.0	-99.88	363.84	5.90	-93.98
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000346451	0	35	-2.0	-94.11	336.74	3.30	-90.81
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000346452	0	35	-2.0	-97.51	343.13	4.07	-93.44
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000346453	0	35	-2.0	-87.56	337.40	4.23	-83.33
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000346454	0	32	-2.0	-88.86	325.14	3.32	-85.54
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000346455	0	35	-2.0	-89.97	339.31	4.25	-85.72
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000346456	0	35	-2.0	-86.55	338.07	4.26	-82.29
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000346457	0	36	-2.0	-100.56	343.45	1.88	-98.68
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000346458	0	38	-2.0	-92.09	355.08	4.94	-87.15
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000346459	0	38	-2.0	-93.56	343.53	4.80	-88.76
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000346460	1	38	-2.0	-88.24	349.13	4.95	-83.29
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000346461	0	41	-2.0	-102.26	366.97	5.26	-97.00
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000346462	1	41	-2.0	-98.85	367.24	5.57	-93.28
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000346463	0	41	-2.0	-101.67	367.64	5.39	-96.28
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000346464	0	39	-2.0	-98.08	360.83	4.39	-93.69
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000346465	0	38	-2.0	-87.69	348.61	4.72	-82.97
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000346466	0	35	-2.0	-100.30	336.52	4.20	-96.10
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000346467	0	34	-2.0	-98.30	329.58	2.25	-96.05
CC(=O)NC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000346468	0	32	-2.0	-88.73	332.98	3.15	-85.58
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2NC(C)=O)C=C(C(=O)[O-])O1	REAL300000346469	0	38	-2.0	-94.08	355.86	4.15	-89.93
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC3(CCC3)C3=C(F)C=CC=C32)=C1	REAL300000346503	0	40	-2.0	-105.68	338.41	7.25	-98.43
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)C=C1	REAL300000346533	1	38	-2.0	-112.56	350.56	6.83	-105.73
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)C=C1	REAL300000346534	1	38	-2.0	-102.51	345.99	6.80	-95.71
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300000346535	1	38	-2.0	-115.11	346.00	6.80	-108.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC(C)=N2)=C1	REAL300000346536	0	42	-2.0	-119.48	374.14	6.59	-112.89
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)C=C1	REAL300000346537	1	42	-2.0	-101.66	377.47	8.09	-93.57
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2)C=C1	REAL300000346538	1	41	-2.0	-116.50	362.02	7.33	-109.17
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C2)C=C1	REAL300000346539	0	38	-2.0	-109.63	359.08	7.37	-102.26
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2)C=C1	REAL300000346540	1	38	-2.0	-110.99	358.53	7.19	-103.80
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=C2)C=C1	REAL300000346541	1	44	-2.0	-116.94	378.63	8.15	-108.79
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)C=C1	REAL300000346542	0	38	-2.0	-111.58	351.48	6.86	-104.72
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2)C=C1	REAL300000346543	1	44	-2.0	-100.76	389.59	8.39	-92.37
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)C=C1	REAL300000346544	0	35	-2.0	-109.27	339.19	5.81	-103.46
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2)C=C1	REAL300000346545	1	41	-2.0	-114.62	361.44	7.58	-107.04
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)C=C1	REAL300000346547	0	39	-2.0	-113.52	352.65	6.14	-107.38
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=C2)C=C1	REAL300000346549	0	38	-2.0	-105.53	355.07	6.47	-99.06
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)C=C1	REAL300000346551	0	35	-2.0	-110.90	337.66	5.83	-105.07
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)=C2)C=C1	REAL300000346553	1	47	-2.0	-116.80	399.85	8.81	-107.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC(C)=N2)=C1	REAL300000346554	1	44	-2.0	-112.49	376.14	8.52	-103.97
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C2)C=C1	REAL300000346555	1	45	-2.0	-118.89	390.25	8.69	-110.20
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)C=C1	REAL300000346556	0	38	-2.0	-107.98	349.01	5.94	-102.04
CC1=NN(C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC=C2)C=C1	REAL300000346557	0	42	-2.0	-116.62	374.99	5.89	-110.73
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=C2)C=C1	REAL300000346558	1	41	-2.0	-105.42	366.66	7.61	-97.81
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=C2)C=C1	REAL300000346559	0	38	-2.0	-111.18	354.61	6.69	-104.49
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2)C=C1	REAL300000346560	0	38	-2.0	-100.00	359.05	7.36	-92.64
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)C=C1	REAL300000346561	1	38	-2.0	-101.96	350.52	6.84	-95.12
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)C=C1	REAL300000346562	0	35	-2.0	-104.25	338.28	5.93	-98.32
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300000346563	1	38	-2.0	-105.88	352.41	6.86	-99.02
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=C2)C=C1	REAL300000346564	0	41	-2.0	-113.06	371.76	7.50	-105.56
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)C=C1	REAL300000346565	0	38	-2.0	-102.25	351.47	6.87	-95.38
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2)C=C1	REAL300000346566	1	38	-2.0	-100.02	358.49	7.20	-92.82
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C2)C=C1	REAL300000346567	1	38	-2.0	-104.07	356.82	6.89	-97.18
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)C=C1	REAL300000346568	0	39	-2.0	-112.97	355.72	4.51	-108.46
CC1=NN(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)C=C1	REAL300000346568	1	39	-2.0	-110.01	344.73	5.40	-104.61
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)C=C1	REAL300000346569	1	41	-2.0	-105.31	368.19	7.58	-97.73
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)C=C1	REAL300000346570	1	41	-2.0	-112.44	356.07	7.44	-105.00
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=C2)C=C1	REAL300000346571	1	41	-2.0	-113.86	370.84	7.45	-106.41
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=C2)C=C1	REAL300000346573	1	44	-2.0	-119.92	382.80	7.97	-111.95
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2)C=C1	REAL300000346574	0	38	-2.0	-103.44	357.76	6.92	-96.52
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=C2)C=C1	REAL300000346576	0	41	-2.0	-112.78	367.48	7.40	-105.38
CC1=NN(C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC=C2)C=C1	REAL300000346577	0	41	-2.0	-121.51	370.98	7.49	-114.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC(C)=N3)=C2)C=C1C(=O)[O-]	REAL300000346578	1	44	-2.0	-117.22	380.23	7.98	-109.24
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC(C)=N3)=C2)C=C1C(=O)[O-]	REAL300000346579	0	42	-2.0	-114.80	374.02	7.01	-107.79
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2)C=C1	REAL300000346580	1	41	-2.0	-102.71	362.01	7.34	-95.37
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=C2)C=C1	REAL300000346581	1	41	-2.0	-112.31	365.48	7.64	-104.67
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)C=C1	REAL300000346582	0	38	-2.0	-120.77	349.62	6.82	-113.95
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=C2)C=C1	REAL300000346583	1	41	-2.0	-108.00	370.94	7.47	-100.53
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)C=C1	REAL300000346584	0	37	-2.0	-111.04	342.94	4.85	-106.19
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC(C)=N2)=C1	REAL300000346585	0	42	-2.0	-106.67	374.15	6.59	-100.08
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)C=C1	REAL300000346586	0	35	-2.0	-102.18	346.15	5.77	-96.41
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C2)C=C1	REAL300000346587	1	45	-2.0	-108.48	392.13	8.68	-99.80
CC1=NN(C2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C2)C=C1	REAL300000346588	1	45	-2.0	-114.18	391.44	8.68	-105.50
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC(C)=N3)=C2)C=C(C(=O)[O-])O1	REAL300000346589	0	41	-2.0	-107.49	368.13	6.78	-100.71
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000346590	0	38	-2.0	-130.67	354.49	4.30	-126.37
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000346591	0	38	-2.0	-120.88	348.89	4.25	-116.63
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000346592	0	38	-2.0	-133.85	348.93	4.23	-129.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(=O)N(C)C)C=C1	REAL300000346593	0	42	-2.0	-140.08	377.05	4.06	-136.02
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000346594	0	42	-2.0	-120.87	380.78	5.53	-115.34
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000346595	0	41	-2.0	-138.11	364.96	4.76	-133.35
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000346596	0	38	-2.0	-129.81	362.01	4.79	-125.02
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000346597	0	38	-2.0	-129.46	362.46	4.66	-124.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)=C1C	REAL300000346598	0	44	-2.0	-136.78	381.58	5.59	-131.19
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000346599	0	38	-2.0	-132.17	354.79	4.30	-127.87
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000346600	0	44	-2.0	-120.28	392.90	5.83	-114.45
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000346601	0	35	-2.0	-127.73	342.51	3.26	-124.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(=O)N(C)C)C=C1	REAL300000346602	0	41	-2.0	-134.96	364.37	5.00	-129.96
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000346603	0	42	-2.0	-119.10	380.00	4.53	-114.57
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000346604	0	39	-2.0	-132.13	355.59	3.58	-128.55
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(=O)N(C)C)C=C1	REAL300000346605	0	42	-2.0	-134.71	373.11	3.05	-131.66
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)=C1	REAL300000346606	0	38	-2.0	-125.01	358.43	3.92	-121.09
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000346607	0	44	-2.0	-136.46	380.39	5.54	-130.92
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000346608	0	35	-2.0	-129.14	340.96	3.27	-125.87
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000346609	0	42	-2.0	-142.65	376.24	4.30	-138.35
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(=O)N(C)C)C=C1	REAL300000346610	0	47	-2.0	-137.19	402.81	6.24	-130.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(=O)N(C)C)C=C1	REAL300000346611	0	44	-2.0	-133.19	379.07	5.94	-127.25
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(=O)N(C)C)C=C1	REAL300000346612	0	45	-2.0	-141.03	399.75	4.81	-136.22
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000346613	0	40	-3.0	-211.69	377.30	4.81	-206.88
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000346614	0	45	-2.0	-139.69	393.56	6.12	-133.57
CC1=C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000346615	0	38	-2.0	-127.28	351.94	3.37	-123.91
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)=C1	REAL300000346616	0	42	-2.0	-136.93	378.88	3.37	-133.56
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)=CC=C1OCC(=O)[O-]	REAL300000346617	0	45	-2.0	-120.03	400.88	5.21	-114.82
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(=O)N(C)C)C=C1	REAL300000346618	0	41	-2.0	-125.00	369.64	5.05	-119.95
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000346619	0	45	-2.0	-143.30	398.09	5.21	-138.09
CC1=C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000346620	0	38	-2.0	-130.34	358.60	4.13	-126.21
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000346621	0	38	-2.0	-118.62	362.35	4.79	-113.83
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000346622	0	38	-2.0	-120.07	353.85	4.28	-115.79
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000346623	0	35	-2.0	-123.58	341.56	3.37	-120.21
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000346624	0	38	-2.0	-126.47	355.72	4.30	-122.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)=C1F	REAL300000346625	0	41	-2.0	-133.37	374.67	4.95	-128.42
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000346626	0	38	-2.0	-120.91	354.35	4.32	-116.59
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000346627	0	38	-2.0	-118.43	361.82	4.64	-113.79
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000346628	0	38	-2.0	-121.35	359.72	4.34	-117.01
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000346629	0	40	-2.0	-120.10	378.15	4.94	-115.16
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000346630	0	39	-2.0	-134.28	359.03	1.97	-132.31
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000346631	0	41	-2.0	-125.39	371.09	5.03	-120.36
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CC(=O)N(C)C)C=C1	REAL300000346632	0	41	-2.0	-131.69	359.01	4.86	-126.83
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)=CC(C(=O)[O-])=C1F	REAL300000346633	0	41	-2.0	-131.98	373.76	4.88	-127.10
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(=O)N(C)C)C=C1	REAL300000346634	0	41	-2.0	-120.70	364.31	5.01	-115.69
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)=CC(C(=O)[O-])=C1C	REAL300000346635	0	44	-2.0	-136.87	382.37	5.33	-131.54
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000346636	0	40	-2.0	-129.98	375.45	5.34	-124.64
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000346637	0	38	-2.0	-123.03	360.64	4.37	-118.66
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)C(C)=C1C(=O)[O-]	REAL300000346638	0	44	-2.0	-136.06	382.33	5.64	-130.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000346639	0	41	-2.0	-133.46	370.79	4.84	-128.62
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)=C1	REAL300000346640	0	41	-2.0	-141.32	374.35	4.93	-136.39
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000346641	0	44	-2.0	-139.24	384.05	5.41	-133.83
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)C=C1CC(=O)[O-]	REAL300000346642	0	45	-2.0	-138.04	399.79	4.37	-133.67
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000346643	0	42	-2.0	-135.76	377.34	4.46	-131.30
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000346644	0	41	-2.0	-121.72	365.72	4.77	-116.95
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(=O)N(C)C)C=C1	REAL300000346645	0	41	-2.0	-132.15	369.50	5.11	-127.04
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000346646	0	40	-2.0	-143.74	373.06	6.09	-137.65
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000346647	0	38	-2.0	-140.69	353.62	4.30	-136.39
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000346648	0	41	-2.0	-125.53	371.13	4.84	-120.69
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000346649	0	37	-2.0	-132.77	346.95	2.32	-130.45
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(=O)N(C)C)C=C1	REAL300000346650	0	42	-2.0	-126.29	378.17	4.08	-122.21
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000346651	0	35	-2.0	-121.26	350.10	3.24	-118.02
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000346652	0	45	-2.0	-127.82	395.05	6.12	-121.70
CN(C)C(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000346653	0	45	-2.0	-131.66	394.37	6.12	-125.54
CCC1=C(S(=O)(=O)[N-]C2=NN(CC(=O)N(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000346654	0	41	-2.0	-127.39	371.85	4.22	-123.17
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000346655	0	42	-2.0	-97.08	384.26	2.24	-94.84
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000346656	0	35	-2.0	-113.85	332.33	3.68	-110.17
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=N1	REAL300000346657	0	43	-2.0	-115.35	387.42	4.75	-110.60
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000346658	0	35	-2.0	-103.46	327.79	3.66	-99.80
COCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000346659	0	35	-2.0	-116.67	327.80	3.65	-113.02
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=N1	REAL300000346660	0	39	-2.0	-122.72	355.94	3.46	-119.26
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000346661	0	39	-2.0	-103.13	359.25	4.95	-98.18
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000346662	0	38	-2.0	-119.11	347.87	4.30	-114.81
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000346663	0	35	-2.0	-112.42	340.87	4.22	-108.20
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000346664	0	35	-2.0	-112.38	340.30	4.05	-108.33
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=N1	REAL300000346665	0	35	-2.0	-107.88	353.36	4.60	-103.28
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000346666	0	41	-2.0	-120.12	360.47	5.00	-115.12
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000346667	0	35	-2.0	-114.23	333.28	3.72	-110.51
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000346668	0	41	-2.0	-102.54	371.38	5.25	-97.29
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000346669	0	32	-2.0	-110.60	320.99	2.68	-107.92
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000346670	0	38	-2.0	-117.92	343.23	4.43	-113.49
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000346671	0	39	-2.0	-101.79	358.87	3.94	-97.85
COCCN1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000346672	0	36	-2.0	-114.92	334.45	3.00	-111.92
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000346673	0	39	-2.0	-118.54	351.59	2.49	-116.05
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300000346674	0	35	-2.0	-106.42	336.92	3.34	-103.08
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000346675	0	41	-2.0	-119.28	359.26	4.96	-114.32
COCCN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000346676	0	32	-2.0	-112.02	319.45	2.69	-109.33
COCCN1C=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000346677	0	43	-2.0	-116.83	386.13	3.46	-113.37
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000346678	0	39	-2.0	-122.23	355.10	3.72	-118.51
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000346679	0	45	-2.0	-122.02	383.03	6.28	-115.74
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000346680	0	44	-2.0	-120.25	381.70	5.65	-114.60
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCOC)C=C1	REAL300000346681	0	41	-2.0	-116.25	357.93	5.37	-110.88
COCCN1C=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=N1	REAL300000346682	0	42	-2.0	-122.57	378.23	4.22	-118.35
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000346683	0	37	-3.0	-191.61	356.20	4.22	-187.39
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000346684	0	42	-2.0	-122.30	372.05	5.54	-116.76
COCCN1C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300000346685	0	35	-2.0	-110.24	330.80	2.80	-107.44
COCCN1C=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000346686	0	41	-2.0	-121.21	369.97	3.43	-117.78
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=N1	REAL300000346687	0	39	-2.0	-117.04	356.72	2.76	-114.28
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000346688	0	43	-2.0	-103.30	381.44	4.27	-99.03
COCCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000346689	0	35	-2.0	-105.90	355.48	4.50	-101.40
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000346690	0	35	-2.0	-108.80	345.39	4.24	-104.56
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300000346691	0	39	-2.0	-100.15	374.89	4.48	-95.67
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=N1	REAL300000346692	0	42	-2.0	-102.30	378.96	4.65	-97.65
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000346693	0	38	-2.0	-108.05	348.51	4.47	-103.58
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=N1	REAL300000346694	0	48	-2.0	-102.47	421.39	5.57	-96.90
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000346695	0	39	-2.0	-101.08	365.09	4.00	-97.08
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CCOC)C=C2)C=C1C(=O)[O-]	REAL300000346696	0	42	-2.0	-122.82	376.93	4.63	-118.19
COCCN1C=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300000346697	0	35	-2.0	-113.80	337.49	3.54	-110.26
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300000346698	0	35	-2.0	-105.93	356.03	4.66	-101.27
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000346699	0	35	-2.0	-100.91	340.85	4.20	-96.71
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000346700	0	35	-2.0	-102.77	332.31	3.69	-99.08
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000346701	0	32	-2.0	-105.16	320.06	2.78	-102.38
COCCN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000346702	0	35	-2.0	-107.00	334.20	3.72	-103.28
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000346703	0	38	-2.0	-115.64	353.55	4.36	-111.28
COCCN1C=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=N1	REAL300000346704	0	39	-2.0	-105.53	368.11	4.27	-101.26
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000346705	0	35	-2.0	-102.90	333.26	3.73	-99.17
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000346706	0	35	-2.0	-100.98	340.28	4.06	-96.92
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300000346707	0	38	-2.0	-109.84	357.24	4.86	-104.98
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000346708	0	43	-2.0	-99.82	391.53	5.07	-94.75
COCCN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000346709	0	35	-2.0	-105.06	338.62	3.75	-101.31
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000346710	0	37	-2.0	-100.94	355.99	4.32	-96.62
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000346711	0	36	-2.0	-116.88	337.52	1.38	-115.50
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000346712	0	38	-2.0	-107.60	349.99	4.44	-103.16
COCCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000346713	0	35	-2.0	-106.57	348.51	4.19	-102.38
COCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000346714	0	38	-2.0	-112.08	337.87	4.28	-107.80
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000346715	0	38	-2.0	-115.23	352.63	4.31	-110.92
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000346716	0	38	-2.0	-103.74	343.21	4.43	-99.31
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000346717	0	41	-2.0	-120.98	364.60	4.82	-116.16
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000346718	0	37	-2.0	-114.28	354.35	4.75	-109.53
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000346719	0	35	-2.0	-105.48	339.54	3.78	-101.70
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000346720	0	41	-2.0	-116.56	361.19	5.06	-111.50
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000346721	0	38	-2.0	-115.39	349.28	4.25	-111.14
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=N1	REAL300000346722	0	38	-2.0	-114.27	359.56	4.78	-109.49
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=N1	REAL300000346723	0	38	-2.0	-120.87	352.83	4.35	-116.52
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CCOC)C=C2)C=C1C(=O)[O-]	REAL300000346724	0	41	-2.0	-118.65	361.73	4.84	-113.81
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=N1	REAL300000346725	0	42	-2.0	-118.30	378.27	3.79	-114.51
COCCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=N1	REAL300000346726	0	38	-2.0	-105.32	354.06	4.84	-100.48
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300000346727	0	38	-2.0	-99.84	357.91	4.47	-95.37
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000346728	0	38	-2.0	-114.20	359.02	4.61	-109.59
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCOC)C=C2)C=C1C(=O)[O-]	REAL300000346729	0	39	-2.0	-116.18	355.82	3.88	-112.30
COCCN1C=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=N1	REAL300000346730	0	47	-2.0	-116.61	392.95	6.53	-110.08
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=N1	REAL300000346731	0	35	-2.0	-103.99	353.41	4.21	-99.78
COCCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000346732	0	38	-2.0	-109.86	357.66	4.62	-105.24
COCCN1C=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=N1	REAL300000346733	0	44	-2.0	-113.54	377.23	5.75	-107.79
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=N1	REAL300000346734	0	39	-2.0	-117.99	368.12	4.27	-113.72
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000346735	0	38	-2.0	-103.67	343.80	4.20	-99.47
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000346736	0	40	-2.0	-108.60	371.06	5.84	-102.76
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000346737	0	38	-2.0	-115.25	347.34	4.49	-110.76
COCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000346738	0	37	-2.0	-122.99	351.52	5.52	-117.47
COCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000346739	0	35	-2.0	-120.05	331.46	3.69	-116.36
COCCN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000346740	0	38	-2.0	-108.02	348.96	4.23	-103.79
COCCN1C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000346741	0	41	-2.0	-124.83	368.84	5.77	-119.06
COCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000346742	0	34	-2.0	-114.14	324.79	1.71	-112.43
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300000346743	0	39	-2.0	-108.03	356.00	3.46	-104.57
COCCN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000346744	0	32	-2.0	-103.86	327.94	2.63	-101.23
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000346745	0	42	-2.0	-110.55	373.92	5.54	-105.01
COCCN1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000346746	0	42	-2.0	-113.78	373.24	5.54	-108.24
CCC1=C(S(=O)(=O)[N-]C2=NN(CCOC)C=C2)C=C(C(=O)[O-])O1	REAL300000346747	0	38	-2.0	-110.22	349.93	3.65	-106.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC3=CC=CC=N3)=C2)C=C1	REAL300000346748	1	41	-2.0	-108.04	373.67	6.71	-101.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC3=CC=CC=N3)=C2)=C1	REAL300000346749	1	41	-2.0	-120.56	373.70	6.70	-113.86
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC3=CC=CC=N3)=C2)=C1	REAL300000346750	0	40	-2.0	-118.34	369.91	4.83	-113.51
CC(C)C1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2)=N1	REAL300000346751	1	42	-2.0	-90.37	380.27	5.44	-84.93
CC(C)C1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300000346752	1	42	-2.0	-102.16	380.30	5.43	-96.73
CC(C)C1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)=N1	REAL300000346753	0	39	-2.0	-96.69	373.47	4.45	-92.24
CC(C)C1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000346754	0	43	-2.0	-100.67	386.94	4.79	-95.88
CC(C)C1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)=N1	REAL300000346755	0	39	-2.0	-98.15	371.94	4.47	-93.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NC(C(C)C)=NO3)C=C2)C=C(C(=O)[O-])O1	REAL300000346756	0	42	-2.0	-96.95	383.32	4.58	-92.37
CC(C)C1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)=N1	REAL300000346757	0	39	-2.0	-91.96	372.54	4.56	-87.40
CC(C)C1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=N1	REAL300000346758	0	41	-2.0	-99.65	376.49	3.55	-96.10
NC(=O)C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)C=C1	REAL300000346761	0	36	-2.0	-98.10	354.75	1.97	-96.13
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(N)=O)=N3)C=C2)C=C1C(=O)[O-]	REAL300000346762	1	40	-2.0	-101.98	368.22	2.32	-99.66
NC(=O)C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)C=C1	REAL300000346763	1	36	-2.0	-99.44	353.22	2.00	-97.44
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(N)=O)=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000346764	0	39	-2.0	-98.06	364.61	2.10	-95.96
NC(=O)C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)C=C1	REAL300000346765	0	36	-2.0	-93.38	353.83	2.08	-91.30
NC(=O)C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)C=C1	REAL300000346766	0	38	-2.0	-100.92	357.78	1.08	-99.84
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1	REAL300000346767	1	38	-2.0	-90.67	356.32	4.53	-86.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC=C1F	REAL300000346768	1	31	-2.0	-107.23	304.38	5.97	-101.26
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000346769	0	39	-2.0	-104.68	357.47	6.97	-97.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1	REAL300000346770	1	31	-2.0	-97.29	299.84	5.95	-91.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346771	1	31	-2.0	-109.85	299.84	5.94	-103.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000346772	0	35	-2.0	-111.52	325.99	5.67	-105.85
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1	REAL300000346773	1	35	-2.0	-96.80	331.31	7.23	-89.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000346774	1	34	-2.0	-111.06	315.85	6.47	-104.59
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346775	0	31	-2.0	-101.55	310.92	6.45	-95.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC=C1Cl	REAL300000346776	1	31	-2.0	-105.65	312.35	6.33	-99.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C(Cl)C=C1Cl	REAL300000346777	0	31	-2.0	-100.33	325.40	6.88	-93.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1C	REAL300000346778	1	37	-2.0	-112.18	332.51	7.28	-104.90
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346779	0	31	-2.0	-103.17	303.33	5.94	-97.23
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1	REAL300000346780	1	37	-2.0	-95.94	343.42	7.52	-88.42
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346781	0	28	-2.0	-104.35	293.02	4.95	-99.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000346782	1	34	-2.0	-107.03	313.28	6.66	-100.37
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000346784	0	32	-2.0	-104.62	304.50	5.22	-99.40
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346786	0	31	-2.0	-96.14	306.96	5.55	-90.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CS1	REAL300000346788	0	28	-2.0	-102.07	289.51	4.91	-97.16
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000346789	1	39	-2.0	-105.51	356.15	5.69	-99.82
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346791	1	41	-2.0	-113.98	355.08	8.57	-105.41
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000346792	1	40	-2.0	-109.21	351.75	7.87	-101.34
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000346793	1	37	-2.0	-105.39	328.02	7.59	-97.80
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000346794	0	38	-2.0	-110.98	348.28	6.43	-104.55
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C(F)F)=C2)=C1	REAL300000346795	0	34	-2.0	-113.45	332.97	6.30	-107.15
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346795	1	33	-3.0	-180.66	326.26	6.44	-174.22
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346796	1	38	-2.0	-114.23	344.10	7.84	-106.39
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000346797	0	31	-2.0	-103.29	302.84	5.07	-98.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC2=C1OCCO2	REAL300000346798	1	37	-2.0	-111.03	340.03	5.65	-105.38
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346799	0	35	-2.0	-111.08	328.82	5.03	-106.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC(Cl)=C1Cl	REAL300000346801	1	31	-2.0	-95.82	325.53	6.72	-89.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C(Cl)C=C1F	REAL300000346802	0	31	-2.0	-98.32	315.43	6.47	-91.85
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1Cl	REAL300000346803	1	35	-2.0	-93.99	346.94	6.75	-87.24
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000346805	1	34	-2.0	-100.61	320.54	6.75	-93.86
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1F	REAL300000346807	1	35	-2.0	-94.94	337.14	6.28	-88.66
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000346809	1	31	-2.0	-106.50	308.44	5.83	-100.67
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346810	0	31	-2.0	-98.64	328.05	6.96	-91.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C(Cl)=C1	REAL300000346811	0	31	-2.0	-94.72	312.89	6.50	-88.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1F	REAL300000346812	1	31	-2.0	-96.80	304.36	5.98	-90.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)S1	REAL300000346813	0	28	-2.0	-99.20	292.10	5.07	-94.13
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346814	1	31	-2.0	-97.07	304.26	5.94	-91.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1F	REAL300000346815	0	34	-2.0	-108.16	325.60	6.63	-101.53
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000346816	0	35	-2.0	-95.57	338.15	6.49	-89.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C(F)=C1	REAL300000346817	0	31	-2.0	-96.88	305.30	6.01	-90.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1Cl	REAL300000346818	1	31	-2.0	-94.89	312.33	6.34	-88.55
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000346819	1	34	-2.0	-102.24	329.28	7.13	-95.11
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1	REAL300000346820	1	39	-2.0	-93.50	363.58	7.35	-86.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC(F)=C1F	REAL300000346821	1	31	-2.0	-95.24	308.68	5.97	-89.27
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346822	0	33	-2.0	-91.18	326.04	6.53	-84.65
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346823	0	32	-2.0	-105.76	307.57	3.59	-102.17
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(F)F)=C2)=C1	REAL300000346823	1	32	-2.0	-107.94	308.64	4.52	-103.42
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1	REAL300000346824	1	34	-2.0	-100.61	322.02	6.71	-93.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC(Cl)=C1F	REAL300000346825	1	31	-2.0	-96.77	318.56	6.41	-90.36
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000346826	1	34	-2.0	-101.62	307.92	6.51	-95.11
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000346827	1	34	-2.0	-104.10	322.68	6.53	-97.57
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000346829	1	37	-2.0	-108.30	330.73	6.93	-101.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC=C1[N+](=O)[O-]	REAL300000346830	0	33	-2.0	-108.12	326.41	7.03	-101.09
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346831	0	31	-2.0	-98.45	311.59	6.06	-92.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000346833	0	34	-2.0	-105.46	323.16	6.56	-98.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1Cl	REAL300000346834	0	34	-2.0	-106.50	331.60	7.07	-99.43
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346835	0	34	-2.0	-115.54	324.87	6.63	-108.91
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000346836	1	37	-2.0	-111.79	334.12	7.12	-104.67
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000346838	1	34	-2.0	-99.62	326.10	7.11	-92.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(F)(F)F	REAL300000346839	1	34	-2.0	-93.77	329.96	6.74	-87.03
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000346840	1	34	-2.0	-102.86	329.07	6.84	-96.02
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000346841	0	35	-2.0	-105.92	325.87	6.10	-99.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C(F)C(Cl)=C1F	REAL300000346843	0	31	-2.0	-93.59	323.45	6.43	-87.16
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000346844	1	34	-2.0	-99.88	331.60	6.94	-92.94
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000346845	0	40	-2.0	-103.27	347.29	8.01	-95.26
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000346846	0	35	-2.0	-107.12	338.18	6.50	-100.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000346847	1	34	-2.0	-97.48	315.84	6.48	-91.00
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C([N+](=O)[O-])=C1	REAL300000346848	0	36	-2.0	-103.29	343.10	8.13	-95.16
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1[N+](=O)[O-]	REAL300000346850	0	33	-2.0	-112.32	321.57	7.73	-104.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1F	REAL300000346851	0	31	-2.0	-109.35	301.51	5.91	-103.44
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000346852	1	34	-2.0	-98.03	322.80	6.55	-91.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC2=CC=CC=C21	REAL300000346853	1	37	-2.0	-118.31	340.88	8.06	-110.25
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000346854	0	30	-2.0	-107.69	296.06	4.07	-103.62
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000346855	0	35	-2.0	-101.55	328.03	5.74	-95.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C(Cl)O1	REAL300000346856	0	28	-2.0	-97.43	299.98	4.92	-92.51
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(F)F)=C3)C=C2)CC1	REAL300000346857	1	38	-2.0	-100.25	343.97	7.75	-92.50
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(F)F)=C3)C=C2C1	REAL300000346858	1	38	-2.0	-104.00	343.31	7.75	-96.25
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000346859	0	34	-2.0	-102.98	321.97	5.92	-97.06
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1	REAL300000346860	1	37	-2.0	-89.20	353.31	2.98	-86.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CC=C1F	REAL300000346861	1	30	-2.0	-105.63	301.39	4.42	-101.21
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SC=NC2=C1	REAL300000346862	0	38	-2.0	-106.07	356.47	5.48	-100.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1	REAL300000346863	1	30	-2.0	-95.84	296.84	4.40	-91.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1	REAL300000346864	1	30	-2.0	-108.12	296.85	4.39	-103.73
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SC=NC2=C1	REAL300000346865	0	34	-2.0	-112.85	324.99	4.19	-108.66
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1	REAL300000346866	1	34	-2.0	-95.33	328.30	5.69	-89.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1C(=O)[O-]	REAL300000346867	1	33	-2.0	-109.28	312.87	4.92	-104.36
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1	REAL300000346868	0	30	-2.0	-103.17	309.92	4.96	-98.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CC=C1Cl	REAL300000346869	1	30	-2.0	-103.94	309.37	4.78	-99.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1C	REAL300000346870	1	36	-2.0	-110.05	329.24	5.69	-104.36
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1	REAL300000346871	0	30	-2.0	-104.88	302.33	4.45	-100.43
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1	REAL300000346872	1	36	-2.0	-94.32	340.42	5.98	-88.34
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1	REAL300000346873	0	27	-2.0	-102.35	290.04	3.41	-98.94
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SC=NC2=C1	REAL300000346874	1	33	-2.0	-108.17	312.28	5.17	-103.00
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1	REAL300000346875	1	34	-2.0	-94.05	327.92	4.68	-89.37
CN1C=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1C(=O)[O-]	REAL300000346876	0	31	-2.0	-106.56	303.50	3.75	-102.81
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SC=NC2=C1	REAL300000346877	1	34	-2.0	-108.73	321.06	3.20	-105.53
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1	REAL300000346878	0	30	-2.0	-98.67	305.97	4.08	-94.59
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1C(=O)[O-]	REAL300000346879	1	36	-2.0	-109.71	327.92	5.74	-103.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CS1	REAL300000346880	0	27	-2.0	-103.88	288.50	3.43	-100.45
COC1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000346881	1	38	-2.0	-108.65	355.18	4.20	-104.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1C(=O)[O-]	REAL300000346882	1	34	-2.0	-113.94	324.14	4.46	-109.48
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1	REAL300000346883	1	40	-2.0	-111.99	352.09	7.02	-104.97
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SC=NC2=C1	REAL300000346884	1	39	-2.0	-110.36	350.76	6.40	-103.96
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SC=NC2=C1	REAL300000346885	1	36	-2.0	-106.35	326.99	6.12	-100.23
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SC=NC2=C1	REAL300000346886	0	37	-2.0	-114.13	347.28	4.96	-109.17
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3SC=NC3=C2)=CC(C(=O)[O-])=C1	REAL300000346887	0	33	-2.0	-114.21	331.97	4.82	-109.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CC(C(=O)[O-])=C1	REAL300000346887	1	32	-3.0	-183.83	325.25	4.96	-178.87
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1	REAL300000346888	1	37	-2.0	-112.37	341.10	6.29	-106.08
CC1=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C(C(=O)[O-])O1	REAL300000346889	0	30	-2.0	-101.59	299.86	3.54	-98.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CC2=C1OCCO2	REAL300000346890	1	36	-2.0	-112.89	339.01	4.16	-108.73
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1	REAL300000346891	0	34	-2.0	-109.40	325.83	3.48	-105.92
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C4SC=NC4=C3)C=C2C1	REAL300000346892	1	38	-2.0	-94.49	349.77	5.00	-89.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C(Cl)C=C1F	REAL300000346893	0	30	-2.0	-99.95	314.44	4.97	-94.98
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1Cl	REAL300000346894	1	34	-2.0	-92.55	343.95	5.22	-87.33
CC1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CC=C1OCC(=O)[O-]	REAL300000346895	1	37	-2.0	-94.54	348.01	5.38	-89.16
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SC=NC2=C1	REAL300000346896	1	33	-2.0	-99.02	317.57	5.20	-93.82
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1F	REAL300000346897	1	34	-2.0	-93.56	334.14	4.74	-88.82
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1C(=O)[O-]	REAL300000346898	1	37	-2.0	-114.58	345.98	5.37	-109.21
CC1=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C(C(=O)[O-])S1	REAL300000346899	0	30	-2.0	-104.79	305.45	4.30	-100.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C(Cl)=C1	REAL300000346900	0	30	-2.0	-93.46	309.90	4.95	-88.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1F	REAL300000346901	1	30	-2.0	-95.39	301.37	4.43	-90.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)S1	REAL300000346902	0	27	-2.0	-97.38	289.12	3.52	-93.86
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1	REAL300000346903	1	30	-2.0	-99.02	303.25	4.46	-94.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1F	REAL300000346904	0	33	-2.0	-106.26	322.61	5.10	-101.16
COC1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000346905	0	34	-2.0	-98.13	337.16	5.01	-93.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C(F)=C1	REAL300000346906	0	30	-2.0	-95.39	302.31	4.46	-90.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1Cl	REAL300000346907	1	30	-2.0	-93.40	309.35	4.79	-88.61
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SC=NC2=C1	REAL300000346908	1	33	-2.0	-100.59	326.31	5.59	-95.00
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1	REAL300000346909	1	38	-2.0	-91.97	360.59	5.80	-86.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CC(F)=C1F	REAL300000346910	1	30	-2.0	-97.25	307.67	4.48	-92.77
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1	REAL300000346911	0	32	-2.0	-93.27	325.04	5.06	-88.21
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1	REAL300000346912	0	31	-2.0	-106.95	306.56	2.10	-104.85
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3SC=NC3=C2)=C1	REAL300000346912	1	31	-2.0	-106.77	305.68	2.98	-103.79
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1	REAL300000346913	1	33	-2.0	-98.73	319.02	5.18	-93.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CC(Cl)=C1F	REAL300000346914	1	30	-2.0	-98.68	317.56	4.92	-93.76
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2SC=NC2=C1	REAL300000346915	1	33	-2.0	-104.89	306.92	5.02	-99.87
CC1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CC(C(=O)[O-])=C1F	REAL300000346916	1	33	-2.0	-107.00	321.68	5.04	-101.96
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2SC=NC2=C1	REAL300000346917	1	33	-2.0	-95.91	312.26	5.15	-90.76
CC1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CC(C(=O)[O-])=C1C	REAL300000346918	1	36	-2.0	-112.57	333.65	5.56	-107.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CC=C1[N+](=O)[O-]	REAL300000346919	0	32	-2.0	-106.70	323.41	5.49	-101.21
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1	REAL300000346920	0	30	-2.0	-96.67	308.60	4.52	-92.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C(C)=C1C(=O)[O-]	REAL300000346921	1	36	-2.0	-109.20	331.33	5.78	-103.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1C(=O)[O-]	REAL300000346922	0	33	-2.0	-107.10	322.17	5.09	-102.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1Cl	REAL300000346923	0	33	-2.0	-104.90	328.61	5.53	-99.37
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1	REAL300000346924	0	33	-2.0	-113.73	321.86	5.08	-108.65
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1C(=O)[O-]	REAL300000346925	1	36	-2.0	-109.98	330.82	5.58	-104.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1CC(=O)[O-]	REAL300000346926	1	37	-2.0	-111.29	347.33	4.52	-106.77
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2SC=NC2=C1	REAL300000346927	1	33	-2.0	-98.96	327.39	5.64	-93.32
CC1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000346928	1	33	-2.0	-105.71	328.07	5.35	-100.36
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1C(=O)[O-]	REAL300000346929	0	34	-2.0	-107.88	324.87	4.61	-103.27
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C(C)=C1CC(=O)[O-]	REAL300000346930	1	42	-2.0	-109.49	362.00	7.27	-102.22
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1C(=O)[O-]	REAL300000346931	1	33	-2.0	-102.67	330.59	5.46	-97.21
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C(C(=O)[O-])S1	REAL300000346932	0	39	-2.0	-104.48	346.29	6.52	-97.96
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1C(=O)[O-]	REAL300000346933	0	34	-2.0	-108.66	337.17	5.02	-103.64
CC1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CC=C1C(=O)[O-]	REAL300000346934	1	33	-2.0	-95.98	312.86	4.93	-91.05
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C([N+](=O)[O-])=C1	REAL300000346935	0	35	-2.0	-101.64	340.11	6.58	-95.06
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SC=NC2=C1	REAL300000346936	1	33	-2.0	-105.63	316.81	5.20	-100.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1[N+](=O)[O-]	REAL300000346937	0	32	-2.0	-116.26	320.59	6.24	-110.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1F	REAL300000346938	0	30	-2.0	-113.00	300.51	4.43	-108.57
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C1C(=O)[O-]	REAL300000346939	1	33	-2.0	-100.83	321.79	5.07	-95.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=CC2=CC=CC=C21	REAL300000346940	1	36	-2.0	-116.30	337.89	6.51	-109.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C1	REAL300000346941	0	29	-2.0	-105.72	293.07	2.52	-103.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2SC=NC2=C1	REAL300000346942	0	34	-2.0	-99.99	325.05	4.19	-95.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)=C(Cl)O1	REAL300000346943	0	27	-2.0	-95.66	297.00	3.38	-92.28
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4SC=NC4=C3)C=C2)CC1	REAL300000346944	1	37	-2.0	-101.96	342.98	6.28	-95.68
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4SC=NC4=C3)C=C2C1	REAL300000346945	1	37	-2.0	-106.56	342.28	6.28	-100.28
CCC1=C(S(=O)(=O)[N-]C2=CC=C3SC=NC3=C2)C=C(C(=O)[O-])O1	REAL300000346946	0	33	-2.0	-101.33	318.98	4.39	-96.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=CC=C1F	REAL300000346947	1	40	-2.0	-103.60	354.44	5.61	-97.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1	REAL300000346948	1	40	-2.0	-93.70	349.88	5.59	-88.11
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=C1	REAL300000346949	1	40	-2.0	-106.25	349.90	5.58	-100.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N2CCCC2)=C1	REAL300000346950	0	44	-2.0	-111.22	378.05	5.38	-105.84
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1	REAL300000346951	1	44	-2.0	-93.44	381.35	6.88	-86.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000346952	1	43	-2.0	-106.67	365.93	6.12	-100.55
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=C1	REAL300000346953	0	40	-2.0	-102.09	362.97	6.15	-95.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=CC=C1Cl	REAL300000346954	1	40	-2.0	-102.02	362.41	5.97	-96.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=C1C	REAL300000346955	1	46	-2.0	-109.25	382.30	6.89	-102.36
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=C1	REAL300000346956	0	40	-2.0	-103.47	355.38	5.64	-97.83
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1	REAL300000346957	1	46	-2.0	-92.75	393.47	7.17	-85.58
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=C1	REAL300000346958	0	37	-2.0	-100.45	343.09	4.60	-95.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N2CCCC2)=C1	REAL300000346959	1	43	-2.0	-106.76	365.33	6.37	-100.39
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1	REAL300000346960	1	44	-2.0	-92.15	380.97	5.87	-86.28
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000346961	0	41	-2.0	-103.69	356.55	4.93	-98.76
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N2CCCC2)=C1	REAL300000346962	1	44	-2.0	-107.90	374.11	4.40	-103.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=C1	REAL300000346963	0	40	-2.0	-95.65	359.03	5.27	-90.38
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000346964	1	46	-2.0	-108.33	380.97	6.92	-101.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=CS1	REAL300000346965	0	37	-2.0	-101.84	341.55	4.61	-97.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000346966	1	44	-2.0	-111.10	377.19	5.65	-105.45
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N2CCCC2)=C1	REAL300000346967	1	46	-2.0	-105.30	380.05	7.30	-98.00
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C(C(=O)[O-])O1	REAL300000346968	0	40	-2.0	-100.10	352.91	4.72	-95.38
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=C1	REAL300000346969	0	44	-2.0	-107.22	378.89	4.68	-102.54
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N2CCCC2)=C1	REAL300000346970	1	43	-2.0	-97.12	370.61	6.40	-90.72
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C(C(=O)[O-])S1	REAL300000346971	0	40	-2.0	-103.05	358.50	5.47	-97.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C(Cl)=C1	REAL300000346972	0	40	-2.0	-90.51	362.96	6.14	-84.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1F	REAL300000346973	1	40	-2.0	-92.25	354.44	5.62	-86.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)S1	REAL300000346974	0	37	-2.0	-95.31	342.17	4.71	-90.60
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=C1	REAL300000346975	0	40	-2.0	-97.01	356.31	5.65	-91.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=C1F	REAL300000346976	0	43	-2.0	-104.28	375.68	6.29	-97.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C(F)=C1	REAL300000346977	0	40	-2.0	-92.16	355.36	5.65	-86.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1Cl	REAL300000346978	1	40	-2.0	-90.37	362.41	5.98	-84.39
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=C1	REAL300000346979	0	41	-2.0	-105.64	359.62	3.30	-102.34
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=CC(N3CCCC3)=C2)=C1	REAL300000346979	1	41	-2.0	-103.35	348.64	4.17	-99.18
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1	REAL300000346980	1	43	-2.0	-97.35	372.07	6.37	-90.98
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(N2CCCC2)=C1	REAL300000346981	1	43	-2.0	-101.40	359.94	6.22	-95.18
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=CC(C(=O)[O-])=C1F	REAL300000346982	1	43	-2.0	-104.13	374.74	6.23	-97.90
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(N2CCCC2)=C1	REAL300000346983	1	43	-2.0	-93.15	365.32	6.35	-86.80
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=CC(C(=O)[O-])=C1C	REAL300000346984	1	46	-2.0	-109.70	387.38	6.78	-102.92
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C(C)=C1C(=O)[O-]	REAL300000346985	1	46	-2.0	-105.84	383.93	6.99	-98.85
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000346986	0	43	-2.0	-105.16	375.35	6.29	-98.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=C1	REAL300000346987	0	43	-2.0	-110.89	374.92	6.27	-104.62
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000346988	1	46	-2.0	-107.98	384.06	6.77	-101.21
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000346989	0	44	-2.0	-105.06	377.86	5.78	-99.28
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=CC=C1C(=O)[O-]	REAL300000346990	1	43	-2.0	-92.96	365.94	6.13	-86.83
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N2CCCC2)=C1	REAL300000346991	1	43	-2.0	-104.84	369.86	6.40	-98.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=C1F	REAL300000346992	0	40	-2.0	-109.22	353.56	5.62	-103.60
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000346993	1	43	-2.0	-98.81	375.19	6.26	-92.55
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=C1	REAL300000346994	0	39	-2.0	-102.89	346.89	3.64	-99.25
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(N2CCCC2)=C1	REAL300000346995	0	44	-2.0	-97.23	378.11	5.38	-91.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)=C(Cl)O1	REAL300000346996	0	37	-2.0	-93.97	350.05	4.56	-89.41
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(N3CCCC3)=C2)C=C(C(=O)[O-])O1	REAL300000346997	0	43	-2.0	-100.15	372.03	5.57	-94.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=CC=C1F	REAL300000346998	1	35	-2.0	-108.46	337.56	7.66	-100.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C1	REAL300000346999	1	35	-2.0	-98.43	332.99	7.64	-90.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1	REAL300000347000	1	35	-2.0	-111.29	333.01	7.63	-103.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CS2)=C1	REAL300000347001	0	39	-2.0	-116.32	361.15	7.43	-108.89
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C1	REAL300000347002	1	39	-2.0	-97.72	364.48	8.93	-88.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000347003	1	38	-2.0	-113.81	353.08	8.28	-105.53
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1	REAL300000347004	0	35	-2.0	-106.23	346.08	8.20	-98.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=CC=C1Cl	REAL300000347005	1	35	-2.0	-106.91	345.54	8.02	-98.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1C	REAL300000347006	1	41	-2.0	-113.36	365.40	8.94	-104.42
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1	REAL300000347007	0	35	-2.0	-108.13	338.49	7.69	-100.44
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C1	REAL300000347008	1	41	-2.0	-96.89	376.58	9.22	-87.67
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1	REAL300000347009	0	32	-2.0	-105.38	326.19	6.64	-98.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CS2)=C1	REAL300000347010	1	38	-2.0	-111.50	348.44	8.41	-103.09
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000347012	0	36	-2.0	-109.53	339.66	6.99	-102.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1	REAL300000347014	0	35	-2.0	-101.42	342.13	7.32	-94.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=CS1	REAL300000347016	0	32	-2.0	-106.81	324.66	6.66	-100.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CS2)=C1	REAL300000347018	1	41	-2.0	-109.52	363.15	9.36	-100.16
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1	REAL300000347019	1	42	-2.0	-115.78	377.26	9.53	-106.25
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C(C(=O)[O-])O1	REAL300000347020	0	35	-2.0	-104.40	336.02	6.78	-97.62
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1	REAL300000347021	0	39	-2.0	-112.33	361.99	6.72	-105.61
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CS2)=C1	REAL300000347022	1	38	-2.0	-101.98	353.72	8.45	-93.53
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C(C(=O)[O-])S1	REAL300000347023	1	35	-2.0	-107.79	341.61	7.52	-100.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C(Cl)=C1	REAL300000347024	0	35	-2.0	-95.83	346.06	8.19	-87.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C1F	REAL300000347025	1	35	-2.0	-97.74	337.52	7.67	-90.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)S1	REAL300000347026	0	32	-2.0	-100.12	325.28	6.76	-93.36
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1	REAL300000347027	1	35	-2.0	-101.91	339.41	7.70	-94.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1F	REAL300000347028	0	38	-2.0	-109.59	358.77	8.34	-101.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C(F)=C1	REAL300000347029	0	35	-2.0	-98.00	338.47	7.70	-90.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C1Cl	REAL300000347030	1	35	-2.0	-95.90	345.50	8.03	-87.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=CC(F)=C1F	REAL300000347031	1	35	-2.0	-99.84	343.83	7.72	-92.12
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1	REAL300000347032	0	36	-2.0	-110.08	342.71	5.35	-104.73
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3=CC=CS3)=C2)=C1	REAL300000347032	1	36	-2.0	-108.16	341.92	6.14	-102.02
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C1	REAL300000347033	1	38	-2.0	-101.65	355.18	8.42	-93.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CS2)=C1	REAL300000347034	1	38	-2.0	-107.78	343.08	8.27	-99.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=CC(C(=O)[O-])=C1F	REAL300000347035	1	38	-2.0	-109.90	357.84	8.28	-101.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=CC(C(=O)[O-])=C1C	REAL300000347037	1	41	-2.0	-115.88	369.81	8.80	-107.08
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1	REAL300000347038	0	35	-2.0	-99.75	344.77	7.76	-91.99
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000347040	0	38	-2.0	-109.40	354.49	8.23	-101.17
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1	REAL300000347041	0	38	-2.0	-116.85	358.02	8.32	-108.53
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000347042	1	41	-2.0	-113.30	367.24	8.82	-104.48
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000347043	0	39	-2.0	-110.89	361.03	7.85	-103.04
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=CC=C1C(=O)[O-]	REAL300000347044	1	38	-2.0	-98.63	349.01	8.18	-90.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1F	REAL300000347046	0	35	-2.0	-116.03	336.63	7.66	-108.37
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000347047	1	38	-2.0	-103.85	357.95	8.31	-95.54
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C1	REAL300000347048	0	34	-2.0	-107.80	329.99	5.68	-102.12
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CS2)=C1	REAL300000347049	0	39	-2.0	-102.73	361.21	7.44	-95.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)=C(Cl)O1	REAL300000347050	0	32	-2.0	-98.34	333.16	6.61	-91.73
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=CC=CS4)=C3)C=C2)CC1	REAL300000347051	1	42	-2.0	-104.82	379.13	9.52	-95.30
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=CC=CS4)=C3)C=C2C1	REAL300000347052	1	42	-2.0	-109.42	378.45	9.52	-99.90
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CS3)=C2)C=C(C(=O)[O-])O1	REAL300000347053	0	38	-2.0	-104.10	355.14	7.63	-96.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CSC=N3)=C2)C=C1	REAL300000347054	1	38	-2.0	-97.12	360.03	5.39	-91.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OCC3=CSC=N3)=C2)=C1	REAL300000347055	1	38	-2.0	-109.54	360.03	5.38	-104.16
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OCC3=CSC=N3)=C2)=C1	REAL300000347056	0	35	-2.0	-103.83	353.22	4.40	-99.43
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CSC=N3)=C2)C=C1C(=O)[O-]	REAL300000347057	0	39	-2.0	-108.03	366.68	4.74	-103.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC3=CSC=N3)=C2)=CS1	REAL300000347058	0	35	-2.0	-105.31	351.68	4.42	-100.89
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CSC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000347059	0	38	-2.0	-103.25	363.07	4.52	-98.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CSC=N3)=C2)S1	REAL300000347060	0	35	-2.0	-98.76	352.31	4.51	-94.25
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OCC3=CSC=N3)=C2)=C1	REAL300000347061	0	37	-2.0	-106.15	357.02	3.44	-102.71
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347062	1	43	-2.0	-138.87	368.58	8.21	-130.66
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347063	1	40	-2.0	-142.78	354.56	7.57	-135.21
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C(C(=O)[O-])=C1	REAL300000347066	0	34	-2.0	-139.24	308.61	7.16	-132.08
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347067	0	37	-2.0	-106.08	337.76	6.79	-99.29
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C(C(=O)[O-])=C1	REAL300000347068	0	33	-2.0	-119.96	312.10	5.54	-114.42
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000347069	1	35	-2.0	-130.58	320.94	7.29	-123.29
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C(C(=O)[O-])=C1	REAL300000347070	1	35	-2.0	-122.78	320.77	7.30	-115.48
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C(C(=O)[O-])=C1	REAL300000347071	0	34	-2.0	-126.08	322.66	7.47	-118.61
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000347072	0	35	-2.0	-130.47	320.07	7.01	-123.46
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Br)C(C)=C2)C(C(=O)[O-])=C1	REAL300000347073	1	37	-2.0	-127.20	339.59	8.08	-119.12
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C(C(=O)[O-])=C1	REAL300000347074	0	34	-2.0	-130.35	313.88	7.49	-122.86
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347077	0	37	-2.0	-123.91	337.30	7.67	-116.24
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000347079	0	38	-2.0	-127.81	341.98	9.32	-118.49
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347081	1	39	-2.0	-124.56	344.17	8.09	-116.47
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C(C(=O)[O-])=C1	REAL300000347082	0	31	-2.0	-123.20	313.71	6.63	-116.57
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000347085	1	37	-2.0	-122.27	338.70	7.87	-114.40
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000347087	0	37	-2.0	-106.72	332.73	7.65	-99.07
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347088	0	42	-2.0	-142.92	358.19	5.94	-136.98
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347091	0	36	-2.0	-117.72	314.43	5.82	-111.90
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000347092	1	34	-2.0	-120.42	332.02	7.88	-112.54
CC1=CC(C)=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347093	0	37	-2.0	-113.32	332.35	7.67	-105.65
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347093	1	36	-3.0	-223.61	328.24	7.47	-216.14
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000347094	1	34	-2.0	-118.03	312.81	7.02	-111.01
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000347095	0	34	-2.0	-123.09	323.19	7.82	-115.27
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000347096	1	37	-2.0	-131.02	338.83	7.90	-123.12
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347097	1	37	-2.0	-135.45	321.51	7.56	-127.89
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000347099	0	37	-2.0	-131.46	322.05	8.14	-123.32
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000347100	1	34	-2.0	-131.86	316.50	7.43	-124.43
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1	REAL300000347101	1	39	-2.0	-134.27	341.19	7.32	-126.95
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000347104	1	34	-2.0	-119.08	322.70	7.47	-111.61
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347105	1	39	-2.0	-150.37	340.26	7.30	-143.07
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1	REAL300000347107	1	43	-2.0	-127.86	376.59	8.50	-119.36
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C(C(=O)[O-])=C1	REAL300000347108	0	34	-2.0	-126.56	326.97	7.86	-118.70
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000347109	1	40	-2.0	-135.87	355.62	7.64	-128.23
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347113	0	40	-3.0	-224.28	357.05	7.22	-217.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347113	1	41	-2.0	-109.59	353.32	7.59	-102.00
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000347114	0	41	-2.0	-110.23	364.20	8.94	-101.29
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000347115	0	31	-2.0	-122.86	309.07	6.52	-116.34
COC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347117	0	38	-2.0	-139.36	328.71	6.65	-132.71
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347118	0	40	-2.0	-123.42	349.09	8.18	-115.24
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347119	0	45	-2.0	-157.43	384.79	5.55	-151.88
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000347120	0	34	-2.0	-121.01	318.50	7.08	-113.93
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000347121	1	34	-2.0	-121.51	333.13	7.91	-113.60
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000347122	0	34	-2.0	-131.22	311.79	7.40	-123.82
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C(C(=O)[O-])=C1	REAL300000347123	1	34	-2.0	-131.68	321.07	7.54	-124.14
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347124	1	36	-2.0	-136.36	327.99	7.59	-128.77
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000347125	1	39	-2.0	-131.86	342.12	8.24	-123.62
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347126	1	36	-2.0	-116.38	340.78	7.95	-108.43
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CS2)C(C(=O)[O-])=C1	REAL300000347127	0	31	-2.0	-129.36	292.52	5.86	-123.50
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000347129	0	36	-2.0	-143.01	321.14	8.38	-134.63
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000347130	0	36	-3.0	-193.21	334.80	7.86	-185.35
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000347130	1	37	-2.0	-114.11	333.07	7.23	-106.88
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347131	0	37	-2.0	-121.46	345.27	8.03	-113.43
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347131	1	36	-3.0	-197.00	341.08	7.85	-189.15
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000347134	0	34	-2.0	-124.88	312.34	7.02	-117.86
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000347135	1	34	-2.0	-133.12	306.18	6.98	-126.14
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000347136	1	34	-2.0	-120.98	312.49	7.01	-113.97
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C(C(=O)[O-])=C1	REAL300000347141	1	34	-2.0	-125.39	316.69	7.41	-117.98
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C(C(=O)[O-])=C1	REAL300000347142	1	34	-2.0	-125.51	321.25	7.52	-117.99
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000347143	1	36	-2.0	-118.64	328.18	7.56	-111.08
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000347144	1	34	-2.0	-132.54	300.23	6.88	-125.66
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347146	0	34	-2.0	-131.69	313.92	6.70	-124.99
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000347147	0	43	-2.0	-124.73	348.96	7.86	-116.87
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347148	0	38	-2.0	-131.14	345.44	7.17	-123.97
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Br)=CC=C2C)C(C(=O)[O-])=C1	REAL300000347149	1	37	-2.0	-129.46	335.15	8.18	-121.28
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000347150	0	36	-2.0	-134.11	330.49	9.16	-124.95
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(=O)[O-])=C1	REAL300000347151	0	36	-3.0	-199.29	329.73	7.41	-191.88
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000347152	0	31	-2.0	-121.88	323.30	7.04	-114.84
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000347154	1	39	-2.0	-123.11	338.73	8.19	-114.92
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000347155	0	34	-2.0	-129.14	307.73	6.92	-122.22
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000347156	0	43	-2.0	-109.13	376.32	9.23	-99.90
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000347156	1	42	-3.0	-191.30	371.99	9.04	-182.26
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C(C(=O)[O-])=C1	REAL300000347158	1	38	-2.0	-124.12	335.85	3.71	-120.41
CSC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1	REAL300000347159	1	38	-2.0	-131.73	340.15	7.92	-123.81
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(=O)[O-])=C1	REAL300000347164	0	33	-3.0	-213.20	322.08	6.46	-206.74
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C(C(=O)[O-])=C1	REAL300000347165	1	37	-2.0	-129.84	331.85	4.40	-125.44
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000347167	0	40	-2.0	-122.21	332.05	7.34	-114.87
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347168	0	40	-2.0	-125.51	337.54	5.99	-119.52
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347169	1	42	-2.0	-143.42	376.38	3.08	-140.34
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000347170	1	42	-2.0	-126.55	363.22	8.71	-117.84
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1	REAL300000347171	1	40	-2.0	-128.20	354.72	7.58	-120.62
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1	REAL300000347172	1	41	-2.0	-134.25	356.39	5.19	-129.06
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000347173	1	39	-2.0	-133.41	354.19	1.85	-131.56
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C(C(=O)[O-])=C1	REAL300000347175	1	38	-2.0	-133.86	334.46	3.69	-130.17
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=C(C)C=C(C)C=C3C(=O)[O-])=CC=C21	REAL300000347176	1	45	-2.0	-140.29	380.83	8.03	-132.26
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000347178	1	40	-2.0	-138.92	346.39	9.17	-129.75
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=CS1	REAL300000347179	0	37	-2.0	-136.92	335.04	6.91	-130.01
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000347181	0	41	-2.0	-107.46	363.82	7.92	-99.54
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000347183	1	45	-2.0	-136.77	384.67	11.01	-125.76
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2F)C(C(=O)[O-])=C1	REAL300000347186	0	34	-2.0	-135.32	305.95	6.95	-128.37
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)C(C(=O)[O-])=C1	REAL300000347187	0	39	-2.0	-125.37	353.79	5.83	-119.54
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C(C(=O)[O-])=C1	REAL300000347188	1	39	-2.0	-127.88	339.77	7.28	-120.60
CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347189	0	42	-2.0	-147.78	361.45	8.19	-139.59
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(Cl)=C1	REAL300000347191	0	37	-2.0	-131.53	333.20	8.07	-123.46
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000347192	0	38	-2.0	-132.21	345.20	7.13	-125.08
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C(C(=O)[O-])=C1	REAL300000347194	1	39	-2.0	-141.67	354.01	1.87	-139.80
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)C(C(=O)[O-])=C1	REAL300000347195	1	42	-2.0	-127.51	363.29	7.32	-120.19
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000347196	0	40	-2.0	-140.37	343.24	7.95	-132.42
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)C(C(=O)[O-])=C1	REAL300000347197	1	40	-2.0	-122.70	356.65	3.89	-118.81
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000347198	1	41	-2.0	-121.97	366.08	6.15	-115.82
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)C(C(=O)[O-])=C1	REAL300000347200	1	40	-2.0	-122.86	354.24	6.86	-116.00
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000347201	1	38	-2.0	-129.21	346.10	6.69	-122.52
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000347202	1	40	-2.0	-138.94	360.65	4.41	-134.53
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1	REAL300000347204	1	42	-2.0	-133.60	376.56	3.06	-130.54
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C(C(=O)[O-])=C1	REAL300000347205	0	34	-2.0	-121.69	318.18	7.47	-114.22
CC1=CC(C)=C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C(C(=O)[O-])=C1	REAL300000347206	0	46	-2.0	-133.48	386.18	6.24	-127.24
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(F)=C1	REAL300000347207	0	41	-2.0	-139.56	362.03	5.86	-133.70
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C(C(=O)[O-])=C1	REAL300000347208	1	40	-2.0	-146.86	360.47	4.44	-142.42
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)C(C(=O)[O-])=C1	REAL300000347209	1	43	-2.0	-137.99	374.65	9.59	-128.40
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1OC	REAL300000347211	0	42	-2.0	-132.08	364.65	6.16	-125.92
CC1=CC(C)=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347213	0	38	-2.0	-110.47	339.36	7.01	-103.46
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347213	1	37	-3.0	-218.31	335.35	6.82	-211.49
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C(C(=O)[O-])=C1	REAL300000347214	0	34	-2.0	-140.49	318.21	6.40	-134.09
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(Br)=C1	REAL300000347215	1	37	-2.0	-130.63	335.29	8.16	-122.47
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000347216	0	39	-2.0	-128.30	341.92	3.08	-125.22
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C(=O)[O-])=C1	REAL300000347217	0	41	-2.0	-121.61	340.68	5.37	-116.24
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347218	0	40	-2.0	-127.65	361.13	7.95	-119.70
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1F	REAL300000347221	1	38	-2.0	-131.54	335.82	6.27	-125.27
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000347224	1	41	-2.0	-124.09	350.66	4.36	-119.73
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)N=C2)C(C(=O)[O-])=C1	REAL300000347226	0	34	-2.0	-124.96	304.65	4.61	-120.35
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000347227	1	39	-2.0	-118.44	342.08	8.23	-110.21
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CN1C	REAL300000347229	0	42	-2.0	-130.26	364.10	4.56	-125.70
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)C(C(=O)[O-])=C1	REAL300000347230	1	37	-2.0	-129.61	330.58	8.08	-121.53
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=C(C)C=C(C)C=C3C(=O)[O-])C=N2)C=C1	REAL300000347232	0	44	-2.0	-132.29	382.07	8.69	-123.60
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)C(C(=O)[O-])=C1	REAL300000347236	1	42	-2.0	-130.05	361.13	6.66	-123.39
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347237	0	36	-3.0	-195.94	337.67	7.15	-188.79
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000347238	1	35	-2.0	-121.21	336.31	7.70	-113.51
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C(C(=O)[O-])=C1	REAL300000347239	1	35	-2.0	-116.82	336.34	7.70	-109.12
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300000347240	0	43	-2.0	-106.58	353.85	8.41	-98.17
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000347241	1	38	-2.0	-131.22	338.81	7.26	-123.96
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C2=CC=CN=C12	REAL300000347242	1	43	-2.0	-135.14	362.69	6.56	-128.58
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000347243	1	37	-2.0	-128.18	335.58	8.01	-120.17
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000347244	0	34	-2.0	-130.07	322.13	7.45	-122.62
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347246	0	40	-2.0	-123.92	356.92	7.32	-116.60
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000347247	1	44	-2.0	-138.96	366.79	8.43	-130.53
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)C(C(=O)[O-])=C1	REAL300000347248	1	37	-2.0	-127.22	326.84	7.61	-119.61
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347250	0	37	-2.0	-136.63	327.36	7.62	-129.01
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)C(C(=O)[O-])=C1	REAL300000347251	1	37	-2.0	-130.52	320.25	7.63	-122.89
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000347253	0	39	-2.0	-140.36	331.13	9.16	-131.20
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C(C(=O)[O-])=C1	REAL300000347254	0	42	-2.0	-130.33	365.41	6.15	-124.18
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C(C(=O)[O-])=C1	REAL300000347255	1	44	-2.0	-152.52	372.36	6.79	-145.73
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000347257	0	42	-2.0	-145.98	356.10	8.53	-137.45
CC1=CC(C)=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347260	0	34	-2.0	-119.86	324.37	6.69	-113.17
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347260	1	33	-3.0	-197.61	320.36	6.49	-191.12
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)C=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000347261	0	37	-2.0	-129.06	341.24	8.76	-120.30
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2C)C(C(=O)[O-])=C1	REAL300000347262	1	43	-2.0	-145.04	374.59	5.09	-139.95
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000347263	0	36	-2.0	-115.90	340.01	8.07	-107.83
COC1=CC=C(S(=O)(=O)NC2=C(C)C=C(C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000347264	0	41	-2.0	-117.23	360.04	7.71	-109.52
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)C(C(=O)[O-])=C1	REAL300000347265	1	42	-2.0	-129.17	346.09	8.14	-121.03
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Br)C=CS2)C(C(=O)[O-])=C1	REAL300000347266	0	31	-2.0	-127.00	312.74	6.46	-120.54
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1	REAL300000347268	1	47	-2.0	-141.11	403.64	6.69	-134.42
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000347269	0	36	-2.0	-131.90	323.23	8.07	-123.83
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C(=O)[O-])=C1	REAL300000347270	0	46	-2.0	-128.53	376.65	9.21	-119.32
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C(=O)[O-])=C1	REAL300000347270	1	45	-3.0	-221.59	379.59	9.32	-212.27
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C(C(=O)[O-])=C1	REAL300000347271	1	44	-2.0	-134.97	374.29	10.31	-124.66
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000347272	0	36	-2.0	-132.99	333.80	8.23	-124.76
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347273	1	45	-2.0	-149.89	390.86	6.56	-143.33
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)C(C(=O)[O-])=C1	REAL300000347276	1	45	-2.0	-137.58	388.22	6.85	-130.73
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347277	0	38	-2.0	-133.59	331.63	5.22	-128.37
CC1=CC=C([O-])C(S(=O)(=O)NC2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347277	1	38	-2.0	-126.20	322.37	6.00	-120.20
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347278	0	43	-2.0	-110.14	351.57	8.07	-102.07
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C(C(=O)[O-])=C1	REAL300000347279	0	37	-2.0	-132.42	339.61	7.82	-124.60
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347280	0	43	-3.0	-217.46	379.34	7.98	-209.48
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347280	1	44	-2.0	-106.23	375.63	8.36	-97.87
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347281	0	39	-3.0	-184.23	361.40	8.20	-176.03
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347281	1	38	-4.0	-309.30	356.54	8.01	-301.29
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347282	0	37	-2.0	-124.88	347.97	6.67	-118.21
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C(=O)[O-])=C1	REAL300000347283	0	44	-2.0	-110.13	366.38	8.93	-101.20
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000347284	0	42	-2.0	-138.69	355.88	9.22	-129.47
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C(C(=O)[O-])=C1	REAL300000347285	1	38	-2.0	-120.95	338.26	7.26	-113.69
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000347286	0	34	-2.0	-128.24	315.34	7.24	-121.00
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347287	0	44	-2.0	-138.68	396.22	5.82	-132.86
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347288	0	44	-2.0	-130.12	393.60	5.87	-124.25
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000347289	0	36	-3.0	-207.31	331.39	6.60	-200.71
CC1=C(S(=O)(=O)NC2=C(C)C=C(C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000347289	1	37	-2.0	-120.50	323.47	5.87	-114.63
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C(C(=O)[O-])=C1	REAL300000347290	0	37	-2.0	-148.69	327.61	6.09	-142.60
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347291	0	40	-2.0	-133.85	356.06	7.50	-126.35
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347292	0	44	-2.0	-141.74	371.97	8.24	-133.50
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000347293	1	37	-2.0	-117.51	344.43	7.96	-109.55
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000347295	0	36	-2.0	-140.46	328.25	9.07	-131.39
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C(C(=O)[O-])=C1	REAL300000347296	1	39	-2.0	-136.41	348.45	7.07	-129.34
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000347297	1	47	-2.0	-138.76	388.64	9.36	-129.40
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C(C(=O)[O-])=C1	REAL300000347298	0	33	-2.0	-122.43	316.78	5.69	-116.74
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000347301	0	36	-2.0	-148.96	322.91	8.56	-140.40
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(=O)[O-])=C1	REAL300000347302	0	40	-3.0	-205.82	357.35	6.51	-199.31
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(=O)[O-])=C1	REAL300000347302	1	41	-2.0	-117.75	348.86	6.68	-111.07
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000347303	0	41	-2.0	-130.01	360.67	8.02	-121.99
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000347304	0	44	-2.0	-126.77	386.09	8.46	-118.31
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000347305	0	33	-2.0	-121.58	301.87	5.17	-116.41
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)C(C(=O)[O-])=C1	REAL300000347307	1	44	-2.0	-126.14	380.35	7.81	-118.33
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347308	0	37	-2.0	-135.53	348.50	6.55	-128.98
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347309	1	42	-2.0	-129.06	356.99	9.21	-119.85
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C(C(=O)[O-])=C1	REAL300000347310	1	39	-2.0	-133.83	333.54	7.19	-126.64
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C(C(=O)[O-])=C1	REAL300000347311	0	33	-2.0	-119.40	323.68	5.97	-113.43
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000347312	0	44	-2.0	-107.80	383.91	8.63	-99.17
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)C=N2)C(C(=O)[O-])=C1	REAL300000347313	0	34	-2.0	-140.99	304.62	5.98	-135.01
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=C(C)C=C(C)C=C3C(=O)[O-])C=C12	REAL300000347315	1	42	-2.0	-127.85	366.43	6.63	-121.22
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C)C=C(C)C=C3C(=O)[O-])C=C12	REAL300000347316	0	38	-2.0	-117.57	339.90	3.89	-113.68
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C(C(=O)[O-])=C1	REAL300000347317	0	34	-2.0	-116.79	316.18	5.43	-111.36
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000347319	0	34	-2.0	-130.54	312.24	7.02	-123.52
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(F)=C1	REAL300000347320	0	38	-2.0	-135.62	338.41	6.47	-129.15
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000347321	0	36	-2.0	-131.64	333.55	8.51	-123.13
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000347322	0	40	-2.0	-105.14	344.23	7.84	-97.30
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000347322	1	39	-3.0	-207.17	347.52	8.16	-199.01
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C(C(=O)[O-])=C1	REAL300000347323	0	40	-2.0	-137.83	343.58	6.49	-131.34
CC1=NC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CN1C	REAL300000347324	0	37	-2.0	-139.20	323.46	5.81	-133.39
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000347325	0	41	-2.0	-109.11	370.06	7.99	-101.12
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000347325	1	40	-3.0	-186.71	365.86	7.80	-178.91
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000347326	0	38	-2.0	-134.72	338.46	6.91	-127.81
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347327	1	43	-2.0	-141.82	376.76	8.48	-133.34
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=N1	REAL300000347328	0	37	-2.0	-125.37	326.18	5.46	-119.91
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1	REAL300000347329	1	46	-2.0	-127.52	398.08	9.29	-118.23
COCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347330	1	41	-2.0	-137.84	354.84	6.64	-131.20
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000347331	0	37	-2.0	-130.01	344.69	7.96	-122.05
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C(C(=O)[O-])=C1	REAL300000347332	0	34	-2.0	-127.31	332.19	7.01	-120.30
CCOC1=CC=C(S(=O)(=O)NC2=C(C)C=C(C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000347333	0	44	-2.0	-131.90	381.89	8.62	-123.28
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C(C(=O)[O-])=C1	REAL300000347334	1	39	-2.0	-133.63	336.22	6.20	-127.43
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CC=C1F	REAL300000347335	1	43	-2.0	-121.23	381.31	8.50	-112.73
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000347336	0	34	-2.0	-122.60	312.85	7.36	-115.24
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=C(C)C=C3C(=O)[O-])C=C2)=CO1	REAL300000347337	1	43	-2.0	-138.99	376.31	5.96	-133.03
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000347340	1	38	-2.0	-127.63	344.74	3.74	-123.89
CC1=NNC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347341	0	34	-2.0	-123.74	300.65	3.93	-119.81
COC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347342	1	38	-2.0	-138.53	329.60	6.20	-132.33
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347344	0	40	-2.0	-135.57	359.19	5.08	-130.49
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347344	1	39	-3.0	-204.08	355.89	3.95	-200.13
CC1=CC(C)=C([N-]S(=O)(=O)C2=NN(C)C=C2)C(C(=O)[O-])=C1	REAL300000347345	0	34	-2.0	-137.44	304.77	4.45	-132.99
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=NN2C)C(C(=O)[O-])=C1	REAL300000347346	0	34	-2.0	-123.52	300.17	4.54	-118.98
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C(F)C=C1F	REAL300000347352	0	40	-2.0	-122.96	365.25	7.64	-115.32
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(F)=C1	REAL300000347353	0	37	-2.0	-135.36	327.35	7.63	-127.73
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])O1	REAL300000347355	0	37	-2.0	-129.82	339.48	5.71	-124.11
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000347356	0	39	-2.0	-147.80	340.03	7.55	-140.25
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C(C(=O)[O-])=C1	REAL300000347357	0	40	-2.0	-135.97	366.36	7.61	-128.36
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000347358	0	34	-2.0	-121.25	318.64	7.08	-114.17
CC1=C(S(=O)(=O)NC2=C(C)C=C(C)C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000347359	0	37	-2.0	-105.55	330.58	7.03	-98.52
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000347359	1	36	-3.0	-213.20	338.59	7.35	-205.85
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1C	REAL300000347360	1	43	-2.0	-131.76	362.40	8.06	-123.70
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347361	0	38	-2.0	-129.31	335.90	6.60	-122.71
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)C(C(=O)[O-])=C1	REAL300000347362	0	36	-2.0	-120.87	331.09	6.12	-114.75
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1	REAL300000347364	1	43	-2.0	-138.15	376.91	8.34	-129.81
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=C(C)C=C3C(=O)[O-])C=C21	REAL300000347366	1	45	-2.0	-152.40	378.93	7.92	-144.48
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347367	0	46	-2.0	-127.45	378.19	7.55	-119.90
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])SC=C1	REAL300000347368	0	34	-2.0	-131.81	310.67	6.53	-125.28
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347369	1	40	-2.0	-126.93	371.96	8.06	-118.87
CCN1N=C(C)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1C	REAL300000347370	0	43	-2.0	-126.51	359.52	6.85	-119.66
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1C	REAL300000347371	1	43	-2.0	-129.13	370.96	8.11	-121.02
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000347372	1	39	-2.0	-120.09	344.45	8.08	-112.01
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000347375	1	42	-2.0	-152.51	360.03	5.35	-147.16
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000347376	1	43	-2.0	-146.80	384.98	5.10	-141.70
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)C(C(=O)[O-])=C1	REAL300000347377	1	38	-2.0	-128.52	334.61	7.95	-120.57
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CC=C1F	REAL300000347378	1	41	-2.0	-137.40	360.88	5.91	-131.49
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000347379	0	39	-2.0	-130.79	349.20	8.12	-122.67
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347382	0	38	-2.0	-129.15	338.10	7.36	-121.79
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)C(C(=O)[O-])=C1	REAL300000347383	1	38	-2.0	-122.37	334.61	7.94	-114.43
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C(C(=O)[O-])=C1	REAL300000347385	1	43	-2.0	-144.17	368.63	6.97	-137.20
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000347387	0	35	-2.0	-123.47	326.75	7.34	-116.13
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=C(C)C=C3C(=O)[O-])C=C2O1	REAL300000347388	1	39	-2.0	-132.90	343.78	4.58	-128.32
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000347389	0	40	-2.0	-126.94	344.86	5.99	-120.95
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C(C(=O)[O-])=C1	REAL300000347390	1	39	-2.0	-133.60	341.22	7.29	-126.31
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=N1	REAL300000347391	0	40	-2.0	-128.15	359.49	5.66	-122.49
CC1=CC(C)=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C(C(=O)[O-])=C1	REAL300000347392	0	40	-2.0	-140.31	344.07	5.35	-134.96
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000347393	0	37	-2.0	-132.41	334.51	9.04	-123.37
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300000347395	0	43	-2.0	-135.99	374.59	8.11	-127.88
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)C(C(=O)[O-])=C1	REAL300000347397	0	38	-2.0	-119.32	358.83	8.00	-111.32
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000347398	1	34	-2.0	-114.88	319.44	7.07	-107.81
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000347399	1	45	-2.0	-132.74	382.40	8.74	-124.00
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CN1C	REAL300000347401	0	41	-2.0	-140.81	361.61	7.00	-133.81
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000347403	0	36	-3.0	-190.97	340.10	7.95	-183.02
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000347403	1	37	-2.0	-109.10	333.04	7.23	-101.87
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000347404	0	37	-2.0	-107.91	337.29	7.68	-100.23
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000347404	1	36	-3.0	-191.55	333.10	7.50	-184.05
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)C(C(=O)[O-])=C1	REAL300000347405	1	42	-2.0	-135.49	366.09	6.32	-129.17
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C(C(=O)[O-])=C1	REAL300000347406	0	41	-2.0	-131.48	365.06	8.18	-123.30
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C(C(=O)[O-])=C1	REAL300000347409	0	37	-2.0	-123.59	343.20	4.91	-118.68
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(=O)[O-])=C1	REAL300000347410	0	33	-3.0	-194.59	320.82	6.60	-187.99
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000347411	0	43	-2.0	-144.71	364.68	7.88	-136.83
CC1=CC(C)=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347412	0	37	-2.0	-104.96	339.17	7.72	-97.24
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347412	1	36	-3.0	-211.18	335.32	7.52	-203.66
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000347413	0	39	-3.0	-215.88	354.13	8.16	-207.72
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000347414	1	48	-2.0	-132.33	392.50	8.96	-123.37
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CN1	REAL300000347415	0	38	-2.0	-136.90	343.84	5.24	-131.66
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000347416	0	36	-3.0	-192.98	334.37	7.52	-185.46
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000347416	1	37	-2.0	-109.24	330.32	7.01	-102.23
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000347417	0	37	-2.0	-105.16	345.26	8.04	-97.12
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000347418	1	37	-2.0	-126.46	319.15	7.59	-118.87
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CC=C1C	REAL300000347420	1	43	-2.0	-128.09	370.97	8.10	-119.99
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CS1	REAL300000347421	0	37	-2.0	-136.23	347.52	6.59	-129.64
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CC=C1F	REAL300000347422	1	40	-2.0	-120.93	359.44	7.57	-113.36
CC1=NC(C)=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347423	0	36	-2.0	-126.74	322.94	5.41	-121.33
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C(C(=O)[O-])=C1	REAL300000347424	1	38	-2.0	-136.62	342.36	8.07	-128.55
CC(=O)NC1=CC(S(=O)(=O)NC2=C(C)C=C(C)C=C2C(=O)[O-])=CC=C1[O-]	REAL300000347425	1	42	-2.0	-119.41	367.01	4.01	-115.40
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C(=O)[O-])=C1	REAL300000347428	0	40	-2.0	-105.25	353.01	8.24	-97.01
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C(=O)[O-])=C1	REAL300000347428	1	39	-3.0	-209.77	356.26	8.55	-201.22
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)C(C(=O)[O-])=C1	REAL300000347429	1	40	-2.0	-129.34	352.93	8.57	-120.77
CCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347430	1	40	-2.0	-137.27	342.66	8.35	-128.92
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C(C(=O)[O-])=C1	REAL300000347431	0	37	-2.0	-130.31	355.74	8.84	-121.47
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347432	1	37	-2.0	-133.01	327.96	7.65	-125.36
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347434	0	40	-2.0	-127.67	357.66	6.36	-121.31
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C(C(=O)[O-])=C1	REAL300000347435	1	40	-2.0	-127.14	351.63	5.96	-121.18
CC1=CC(C)=C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347436	0	37	-2.0	-103.68	343.57	7.74	-95.94
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347436	1	36	-3.0	-207.27	339.73	7.54	-199.73
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347437	0	39	-2.0	-111.11	359.61	7.96	-103.15
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347437	1	38	-3.0	-189.62	356.80	8.14	-181.48
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C(C(=O)[O-])=C1	REAL300000347438	0	37	-2.0	-131.39	352.40	8.72	-122.67
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347439	0	44	-2.0	-144.86	383.38	7.31	-137.55
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347440	1	46	-2.0	-139.85	385.54	8.74	-131.11
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000347442	0	37	-2.0	-129.76	329.50	7.61	-122.15
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000347443	0	40	-2.0	-138.58	349.74	9.91	-128.67
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000347444	1	40	-2.0	-140.99	338.40	9.09	-131.90
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C(C(=O)[O-])=C1	REAL300000347445	0	36	-2.0	-132.10	332.23	6.38	-125.72
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2Cl)C(C(=O)[O-])=C1	REAL300000347446	0	39	-2.0	-128.04	356.89	8.63	-119.41
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000347447	1	38	-2.0	-115.29	356.76	8.08	-107.21
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347448	0	41	-2.0	-130.30	377.95	5.99	-124.31
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2C)C(C(=O)[O-])=C1	REAL300000347449	1	37	-2.0	-126.89	331.94	8.08	-118.81
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(=O)[O-])=C1	REAL300000347450	0	37	-3.0	-214.84	338.63	5.12	-209.72
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000347450	1	37	-3.0	-203.88	330.53	5.85	-198.03
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000347452	0	40	-2.0	-113.09	354.92	8.42	-104.67
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000347452	1	39	-3.0	-197.83	350.59	8.24	-189.59
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1Cl	REAL300000347453	1	41	-2.0	-133.42	371.07	6.41	-127.01
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])O1	REAL300000347454	0	40	-2.0	-130.51	361.35	6.63	-123.88
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347455	0	36	-2.0	-123.66	335.08	7.63	-116.03
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347456	0	39	-2.0	-134.64	347.58	7.71	-126.93
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)C(C(=O)[O-])=C1	REAL300000347457	1	46	-2.0	-132.49	390.82	8.44	-124.05
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2C)C(C(=O)[O-])=C1	REAL300000347458	1	39	-2.0	-119.47	357.96	8.52	-110.95
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C(C(=O)[O-])=C1	REAL300000347459	0	37	-2.0	-127.14	344.75	7.42	-119.72
COC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])SC=C1	REAL300000347460	0	35	-2.0	-138.66	320.75	5.93	-132.73
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347461	1	43	-2.0	-146.87	381.93	5.33	-141.54
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300000347462	0	40	-2.0	-135.55	351.78	8.11	-127.44
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(C(=O)[O-])=C1	REAL300000347463	0	37	-2.0	-134.84	329.87	7.29	-127.55
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)C(C(=O)[O-])=C1	REAL300000347464	0	42	-2.0	-149.53	361.96	8.14	-141.39
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)C(C(=O)[O-])=C1	REAL300000347465	1	45	-2.0	-128.49	383.41	6.39	-122.10
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000347466	1	40	-2.0	-127.46	347.76	9.44	-118.02
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CC(F)=C1F	REAL300000347467	1	40	-2.0	-117.38	365.76	7.66	-109.72
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])SC2=CC=CC(F)=C12	REAL300000347468	0	40	-2.0	-136.36	360.07	8.95	-127.41
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000347469	0	39	-2.0	-131.13	353.93	8.28	-122.85
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347470	0	36	-2.0	-130.15	328.42	5.36	-124.79
CC1=NN2C=C(S(=O)(=O)[N-]C3=C(C)C=C(C)C=C3C(=O)[O-])C=NC2=C1Cl	REAL300000347472	0	39	-2.0	-120.02	361.43	6.84	-113.18
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C(C(=O)[O-])=C1	REAL300000347473	1	36	-2.0	-123.98	348.37	6.81	-117.17
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C(C(=O)[O-])=C1	REAL300000347474	0	34	-2.0	-116.12	314.29	5.75	-110.37
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C(C(=O)[O-])=C1	REAL300000347475	0	34	-2.0	-141.03	320.11	5.74	-135.29
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347476	1	42	-2.0	-136.47	358.65	5.48	-130.99
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C(C(=O)[O-])=C1	REAL300000347477	0	35	-2.0	-131.29	316.28	5.63	-125.66
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C(C(=O)[O-])=C1	REAL300000347478	0	35	-2.0	-123.16	319.87	4.77	-118.39
CC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347479	0	33	-2.0	-129.25	308.96	4.71	-124.54
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CC=C1Cl	REAL300000347480	1	40	-2.0	-121.70	367.42	7.94	-113.76
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)C(C(=O)[O-])=C1	REAL300000347481	1	39	-2.0	-117.95	350.02	8.18	-109.77
CC1=CC(C)=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000347482	0	40	-2.0	-119.43	328.27	7.23	-112.20
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000347484	1	41	-2.0	-160.21	364.71	4.77	-155.44
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347485	0	40	-2.0	-124.37	357.58	8.30	-116.07
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000347486	0	40	-2.0	-110.88	338.22	7.75	-103.13
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000347487	0	35	-2.0	-126.85	329.73	7.57	-119.28
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C(C)N1	REAL300000347488	0	47	-2.0	-125.74	396.10	7.58	-118.16
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000347489	0	37	-2.0	-131.47	332.66	7.66	-123.81
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000347490	0	40	-2.0	-119.05	355.64	7.64	-111.41
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347491	0	43	-2.0	-116.57	370.34	8.85	-107.72
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C(C(=O)[O-])=C1	REAL300000347492	1	40	-2.0	-139.89	355.15	9.59	-130.30
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347493	0	38	-3.0	-195.17	354.92	8.51	-186.66
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347493	1	39	-2.0	-124.86	359.10	8.68	-116.18
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C(C(=O)[O-])=C1	REAL300000347494	0	37	-2.0	-130.57	345.43	8.40	-122.17
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000347496	0	36	-3.0	-202.74	340.67	7.58	-195.16
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347497	1	39	-2.0	-115.42	353.48	8.22	-107.20
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C(C(=O)[O-])=C1	REAL300000347498	0	33	-2.0	-122.80	319.08	6.34	-116.46
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000347499	0	40	-2.0	-144.81	345.59	7.30	-137.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=N1	REAL300000347500	0	39	-2.0	-123.41	351.18	5.72	-117.69
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C(C(=O)[O-])=C1	REAL300000347501	0	33	-2.0	-119.04	324.28	6.05	-112.99
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000347502	0	43	-2.0	-122.01	351.03	7.95	-114.06
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000347503	0	39	-3.0	-214.59	349.46	8.03	-206.56
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000347503	1	40	-2.0	-113.99	347.04	7.57	-106.42
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000347504	0	39	-3.0	-214.23	358.58	8.55	-205.68
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000347504	1	40	-2.0	-116.51	351.88	7.81	-108.70
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000347505	0	39	-3.0	-211.04	353.42	8.15	-202.89
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000347505	1	40	-2.0	-120.75	350.05	7.63	-113.12
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000347506	0	34	-2.0	-118.13	327.33	7.37	-110.76
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347507	1	42	-2.0	-150.41	363.19	8.17	-142.24
COCCN1C=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=N1	REAL300000347508	0	41	-2.0	-128.17	359.69	4.52	-123.65
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000347509	0	39	-2.0	-128.60	346.53	7.45	-121.15
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Br)C(C(=O)[O-])=C1	REAL300000347510	0	37	-2.0	-131.82	332.08	8.05	-123.77
CCC1=CC=C(S(=O)(=O)NC2=C(C)C=C(C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000347511	0	43	-2.0	-126.64	367.90	8.87	-117.77
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C(C(=O)[O-])=C1	REAL300000347512	0	45	-2.0	-128.05	377.26	5.44	-122.61
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)C(C(=O)[O-])=C1	REAL300000347515	0	38	-2.0	-131.98	339.23	7.52	-124.46
CC1=CC(C)=C(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)C(C(=O)[O-])=C1	REAL300000347516	0	40	-2.0	-113.24	336.98	6.48	-106.76
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000347517	0	43	-2.0	-133.82	372.90	8.56	-125.26
CCCN1C=NC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347518	0	40	-2.0	-144.43	347.47	7.66	-136.77
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C(C(=O)[O-])=C1	REAL300000347519	0	42	-2.0	-126.15	358.29	4.65	-121.50
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000347521	0	37	-2.0	-136.66	326.25	7.60	-129.06
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=N1	REAL300000347522	1	40	-2.0	-124.44	349.28	4.53	-119.91
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C(C(=O)[O-])=C1	REAL300000347523	0	41	-2.0	-145.19	346.04	6.94	-138.25
COC1=CC=C(S(=O)(=O)NC2=C(C)C=C(C)C=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000347524	0	44	-2.0	-110.97	383.23	7.77	-103.20
COCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1	REAL300000347525	1	41	-2.0	-133.01	355.02	6.62	-126.39
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347526	0	39	-2.0	-135.44	339.71	3.84	-131.60
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000347527	0	37	-2.0	-132.62	330.53	7.98	-124.64
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C(C)O1	REAL300000347529	0	37	-2.0	-131.82	322.97	6.47	-125.35
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C(C(=O)[O-])=C1	REAL300000347530	0	40	-2.0	-133.91	344.01	4.60	-129.31
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347532	1	43	-2.0	-126.77	383.50	8.54	-118.23
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347533	1	41	-2.0	-131.27	346.58	6.91	-124.36
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000347534	0	43	-2.0	-128.10	376.92	7.30	-120.80
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])O1	REAL300000347536	0	34	-2.0	-135.34	304.53	5.72	-129.62
CC1=C(C)SC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347537	0	37	-2.0	-133.61	333.06	7.28	-126.33
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C(C(=O)[O-])=C1	REAL300000347538	1	37	-2.0	-132.03	326.15	5.56	-126.47
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000347539	0	42	-2.0	-142.03	346.88	8.55	-133.48
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C(C(=O)[O-])=C1	REAL300000347540	0	40	-2.0	-135.41	343.65	8.75	-126.66
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000347541	0	36	-2.0	-113.12	332.85	7.59	-105.53
CC1=CC(C)=C(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000347542	0	40	-2.0	-113.87	344.99	7.75	-106.12
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000347542	1	39	-3.0	-196.11	351.89	8.52	-187.59
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000347543	1	34	-2.0	-123.47	323.59	7.48	-115.99
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C(C)O1	REAL300000347544	0	40	-2.0	-128.60	357.80	6.45	-122.15
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000347545	0	33	-2.0	-122.32	312.21	5.58	-116.74
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347546	0	40	-2.0	-122.40	363.97	8.62	-113.78
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347546	1	39	-3.0	-199.48	360.12	8.42	-191.06
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])N=C1C	REAL300000347547	0	40	-2.0	-139.58	345.48	6.73	-132.85
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347548	0	37	-2.0	-131.77	335.29	8.16	-123.61
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347549	0	37	-2.0	-132.64	333.20	8.07	-124.57
CCN1C=C(S(=O)(=O)NC2=C(C)C=C(C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000347550	0	41	-2.0	-112.27	360.33	7.90	-104.37
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000347550	1	40	-3.0	-220.33	356.74	7.68	-212.65
COC(=O)C1=COC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347551	0	37	-2.0	-129.83	340.03	5.66	-124.17
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347552	0	46	-2.0	-127.90	373.08	7.42	-120.48
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CN1C	REAL300000347553	0	44	-2.0	-140.56	383.47	7.93	-132.63
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000347554	1	42	-2.0	-123.44	357.83	8.79	-114.65
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000347555	0	34	-2.0	-131.14	314.92	7.65	-123.49
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)C(C(=O)[O-])=C1	REAL300000347556	0	36	-2.0	-127.96	328.44	6.16	-121.80
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347557	0	39	-2.0	-127.96	349.49	7.05	-120.91
CSC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1Cl	REAL300000347558	1	38	-2.0	-131.09	355.31	8.37	-122.72
CCC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347559	0	36	-2.0	-127.73	329.68	5.47	-122.26
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C)C=C(C)C=C3C(=O)[O-])C=C12	REAL300000347560	0	41	-2.0	-117.66	361.38	4.62	-113.04
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347561	0	36	-2.0	-131.52	338.23	7.23	-124.29
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CN=C1Cl	REAL300000347563	0	37	-2.0	-119.14	340.93	4.89	-114.25
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=C(C)C=C(C)C=C3C(=O)[O-])=CC=C21	REAL300000347564	1	43	-2.0	-122.77	376.05	7.86	-114.91
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000347565	0	36	-2.0	-117.98	334.96	6.15	-111.83
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347566	1	40	-2.0	-127.27	361.64	7.61	-119.66
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)C(C(=O)[O-])=C1	REAL300000347567	1	37	-2.0	-129.07	345.32	4.12	-124.95
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347568	0	49	-2.0	-132.60	398.49	8.36	-124.24
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C(C(=O)[O-])=C1	REAL300000347570	0	35	-2.0	-120.20	332.47	7.79	-112.41
CC1=CC(C)=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C(C(=O)[O-])=C1	REAL300000347571	0	37	-2.0	-141.06	328.38	7.22	-133.84
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347572	0	39	-2.0	-125.76	350.41	5.74	-120.02
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C(C(=O)[O-])=C1	REAL300000347573	0	31	-2.0	-129.45	304.31	5.63	-123.82
CC1=NC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300000347574	0	43	-2.0	-145.68	375.85	5.89	-139.79
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300000347575	1	42	-2.0	-133.77	356.61	8.77	-125.00
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000347576	0	34	-2.0	-128.79	321.21	7.32	-121.47
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347580	1	46	-2.0	-138.80	390.44	9.14	-129.66
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C(C(=O)[O-])=C1	REAL300000347581	0	34	-2.0	-119.21	333.83	7.95	-111.26
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347582	0	34	-2.0	-124.24	329.08	7.12	-117.12
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(OC)=C1	REAL300000347583	0	44	-2.0	-131.75	383.43	7.31	-124.44
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000347584	1	37	-2.0	-143.73	333.94	7.85	-135.88
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C(C(=O)[O-])=C1	REAL300000347585	0	37	-2.0	-123.97	344.69	7.96	-116.01
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347586	1	37	-2.0	-131.77	342.84	8.20	-123.57
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000347587	0	37	-2.0	-127.18	339.01	5.76	-121.42
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347588	1	38	-2.0	-137.66	334.30	7.88	-129.78
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C(C(=O)[O-])=C1	REAL300000347589	1	37	-2.0	-136.99	345.13	4.15	-132.84
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000347591	0	42	-2.0	-127.35	369.55	8.18	-119.17
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(C)=CS1	REAL300000347592	0	40	-2.0	-134.85	357.47	7.84	-127.01
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CC=C1F	REAL300000347593	1	38	-2.0	-123.46	335.83	6.27	-117.19
CC1=CC(C)=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C(C(=O)[O-])=C1	REAL300000347594	0	33	-2.0	-137.25	306.66	7.34	-129.91
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=NN2C)C(C(=O)[O-])=C1	REAL300000347595	0	33	-2.0	-118.89	293.53	3.37	-115.52
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C(C(=O)[O-])=C1	REAL300000347596	1	39	-2.0	-128.21	344.60	6.03	-122.18
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347597	0	33	-2.0	-116.49	321.42	6.66	-109.83
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1	REAL300000347599	1	42	-2.0	-136.50	366.42	5.12	-131.38
COC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000347600	1	40	-2.0	-122.69	363.91	7.71	-114.98
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C(C(=O)[O-])=C1	REAL300000347601	0	38	-2.0	-133.29	327.90	6.34	-126.95
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000347602	0	35	-2.0	-121.02	327.20	7.69	-113.33
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000347603	0	37	-2.0	-122.22	344.06	5.97	-116.25
CC1=CC(C)=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C(C(=O)[O-])=C1	REAL300000347607	0	38	-2.0	-140.36	339.42	6.84	-133.52
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347608	0	47	-2.0	-132.30	390.28	8.37	-123.93
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)C(C(=O)[O-])=C1	REAL300000347609	0	42	-2.0	-147.80	357.98	8.09	-139.71
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000347611	1	38	-2.0	-132.88	351.69	4.18	-128.70
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000347612	0	35	-2.0	-135.21	325.22	5.20	-130.01
COC1=CN=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347613	0	37	-2.0	-128.86	325.04	4.36	-124.50
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1OC	REAL300000347614	1	44	-2.0	-126.61	382.18	7.61	-119.00
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347618	0	40	-2.0	-127.19	350.60	8.08	-119.11
CC1=CC(C)=C(NS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347619	0	40	-2.0	-116.33	362.43	8.60	-107.73
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347619	1	39	-3.0	-197.58	358.44	8.44	-189.14
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000347620	1	44	-2.0	-135.94	372.02	6.71	-129.23
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)C(C(=O)[O-])=C1	REAL300000347621	0	40	-2.0	-142.81	359.81	8.38	-134.43
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347623	0	37	-2.0	-138.73	345.40	4.37	-134.36
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347623	1	36	-3.0	-207.58	342.09	3.24	-204.34
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1F	REAL300000347624	1	41	-2.0	-132.09	362.01	5.89	-126.20
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1OC	REAL300000347625	0	42	-2.0	-128.90	370.42	6.60	-122.30
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000347626	1	38	-2.0	-126.50	345.57	6.54	-119.96
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000347627	1	37	-2.0	-117.24	344.44	7.96	-109.28
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C(C(=O)[O-])=C1	REAL300000347628	0	39	-2.0	-133.66	357.02	2.52	-131.14
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C(C(=O)[O-])=C1	REAL300000347629	1	38	-2.0	-137.00	331.22	8.05	-128.95
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C(C(=O)[O-])=C1	REAL300000347630	1	38	-2.0	-136.62	342.01	8.08	-128.54
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C(C(=O)[O-])=C1	REAL300000347631	0	34	-2.0	-122.89	328.52	7.91	-114.98
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(N)=NO1	REAL300000347633	0	35	-2.0	-116.41	306.51	4.23	-112.18
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347634	0	38	-2.0	-135.69	345.43	7.16	-128.53
CC1=CC(C)=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000347635	1	35	-2.0	-121.90	327.95	5.66	-116.24
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347638	1	41	-2.0	-136.87	343.33	6.86	-130.01
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C(C(=O)[O-])=C1	REAL300000347641	0	32	-2.0	-119.38	312.61	6.46	-112.92
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C)N=C2)C(C(=O)[O-])=C1	REAL300000347642	1	36	-2.0	-127.71	317.05	5.73	-121.98
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C(C(=O)[O-])=C1	REAL300000347643	0	39	-2.0	-135.93	341.30	7.27	-128.66
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(F)=C1	REAL300000347644	0	40	-2.0	-127.44	360.68	7.62	-119.82
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1F	REAL300000347645	1	40	-2.0	-121.56	359.42	7.58	-113.98
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347646	0	42	-2.0	-134.68	369.41	8.57	-126.11
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)C(C(=O)[O-])=C1	REAL300000347647	1	38	-2.0	-122.96	340.08	7.79	-115.17
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000347648	0	33	-2.0	-116.51	317.82	5.60	-110.91
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(F)=C1	REAL300000347650	0	38	-2.0	-131.47	335.42	6.25	-125.22
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000347651	1	40	-2.0	-132.12	360.94	8.68	-123.44
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000347653	1	37	-2.0	-130.37	332.14	7.76	-122.61
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C(C(=O)[O-])=C1	REAL300000347654	1	44	-2.0	-143.03	374.37	10.29	-132.74
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])N(C)N=C1	REAL300000347656	0	37	-2.0	-123.69	316.98	5.38	-118.31
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347657	0	43	-2.0	-133.08	377.92	8.43	-124.65
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C(C(=O)[O-])=C1	REAL300000347659	0	32	-2.0	-126.97	303.86	5.46	-121.51
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSC=C2)C(C(=O)[O-])=C1	REAL300000347660	1	31	-2.0	-127.63	291.21	5.81	-121.82
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347661	0	45	-2.0	-141.72	383.77	6.37	-135.35
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000347662	0	40	-2.0	-107.02	352.08	8.27	-98.75
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=N1	REAL300000347663	1	37	-2.0	-124.27	327.42	3.59	-120.68
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C(C(=O)[O-])=C1	REAL300000347664	0	34	-2.0	-129.74	318.06	7.38	-122.36
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347667	0	43	-2.0	-130.83	370.86	9.51	-121.32
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000347668	0	43	-2.0	-133.77	372.01	9.32	-124.45
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000347669	0	37	-2.0	-132.70	336.18	8.25	-124.45
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347670	1	46	-2.0	-139.26	398.92	9.25	-130.01
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CC=C1C	REAL300000347671	1	46	-2.0	-128.53	393.01	9.01	-119.52
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C(C(=O)[O-])=C1	REAL300000347672	0	45	-2.0	-144.84	377.84	8.13	-136.71
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)C(C(=O)[O-])=C1	REAL300000347673	1	38	-2.0	-121.08	356.77	8.08	-113.00
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000347674	0	37	-2.0	-134.59	326.71	5.55	-129.04
CCOC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347676	1	41	-2.0	-140.23	351.12	7.14	-133.09
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000347677	0	34	-2.0	-124.87	321.24	7.72	-117.15
CC1=CC=C2C=C(S(=O)(=O)[N-]C3=C(C)C=C(C)C=C3C(=O)[O-])C=CC2=C1	REAL300000347679	1	43	-2.0	-138.57	367.74	9.82	-128.75
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C(C(=O)[O-])=C1	REAL300000347680	0	31	-2.0	-127.93	308.41	6.35	-121.58
CC1=CSC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347681	0	34	-2.0	-131.19	314.02	6.55	-124.64
CC1=CC(C)=C([N-]S(=O)(=O)C2=CNN=C2Cl)C(C(=O)[O-])=C1	REAL300000347683	0	31	-2.0	-121.55	298.73	3.70	-117.85
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C(C(=O)[O-])=C1	REAL300000347684	0	39	-2.0	-138.61	354.62	7.98	-130.63
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C(C(=O)[O-])=C1	REAL300000347685	0	33	-2.0	-120.84	307.02	5.01	-115.83
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)C(C(=O)[O-])=C1	REAL300000347686	0	43	-2.0	-128.03	365.03	6.01	-122.02
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000347687	1	43	-2.0	-124.53	369.61	5.45	-119.08
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(C(=O)[O-])=C1	REAL300000347690	0	37	-2.0	-128.39	336.28	7.36	-121.03
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C(C(=O)[O-])=C1	REAL300000347691	0	37	-2.0	-133.21	351.38	8.96	-124.25
CC1=NSC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347692	0	33	-2.0	-121.86	308.92	5.18	-116.68
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000347694	0	38	-2.0	-117.25	339.70	6.34	-110.91
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C(C(=O)[O-])=C1	REAL300000347694	1	38	-2.0	-127.81	348.94	5.56	-122.25
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000347695	0	40	-2.0	-124.30	349.70	8.01	-116.29
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(F)C=CS2)C(C(=O)[O-])=C1	REAL300000347698	0	31	-2.0	-130.19	298.71	5.94	-124.25
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)=CC3=C2)C(C(=O)[O-])=C1	REAL300000347699	1	43	-2.0	-126.89	371.94	6.65	-120.24
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C(C(=O)[O-])=C1	REAL300000347700	0	40	-2.0	-141.12	360.92	5.30	-135.82
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000347701	0	37	-2.0	-125.46	336.07	5.62	-119.84
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C(C(=O)[O-])=C1	REAL300000347702	1	43	-2.0	-136.08	365.28	8.49	-127.59
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C(C(=O)[O-])=C1	REAL300000347703	1	35	-2.0	-121.92	326.81	7.33	-114.59
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=C([N+](=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000347706	0	39	-2.0	-120.12	350.00	8.14	-111.98
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C(=O)[O-])=C1	REAL300000347707	0	40	-2.0	-121.86	336.44	7.36	-114.50
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C(C(=O)[O-])=C1	REAL300000347708	0	35	-2.0	-123.87	332.99	6.21	-117.66
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000347709	0	38	-3.0	-210.10	352.58	9.27	-200.83
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C(F)C=C1C	REAL300000347712	0	43	-2.0	-131.33	376.46	8.16	-123.17
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C(C(=O)[O-])=C1	REAL300000347713	0	34	-2.0	-120.40	332.67	7.09	-113.31
CC1=CC(C)=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000347714	0	39	-2.0	-137.64	337.09	3.82	-133.82
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347715	0	37	-2.0	-133.98	332.74	7.33	-126.65
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CN=C1C	REAL300000347716	0	42	-2.0	-123.68	366.08	6.23	-117.45
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347717	0	35	-2.0	-116.14	323.83	5.75	-110.39
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)C(C(=O)[O-])=C1	REAL300000347718	1	36	-2.0	-120.39	325.75	6.18	-114.21
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)C(C(=O)[O-])=C1	REAL300000347719	1	40	-2.0	-124.62	354.54	8.41	-116.21
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347720	1	43	-2.0	-140.36	376.72	8.35	-132.01
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C(C(=O)[O-])=C1	REAL300000347721	1	36	-2.0	-118.48	340.20	6.77	-111.71
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=NN1C	REAL300000347725	0	37	-2.0	-131.44	320.74	5.10	-126.34
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347727	1	47	-2.0	-153.57	393.07	7.70	-145.87
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347728	0	37	-2.0	-127.53	323.63	5.25	-122.28
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347729	1	41	-2.0	-131.36	371.94	7.15	-124.21
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000347730	0	34	-2.0	-119.19	316.33	5.48	-113.71
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C(C(=O)[O-])=C1	REAL300000347732	1	39	-2.0	-131.66	346.53	4.10	-127.56
CC1=CC(C)=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000347734	0	34	-2.0	-121.47	313.11	4.30	-117.17
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000347735	0	40	-2.0	-120.93	341.75	6.61	-114.32
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=C(N(C)C)C=CC=C23)C(C(=O)[O-])=C1	REAL300000347736	1	48	-2.0	-137.69	391.81	8.94	-128.75
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C(C(=O)[O-])=C1	REAL300000347738	1	36	-2.0	-125.79	348.28	6.82	-118.97
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1Cl	REAL300000347739	0	42	-2.0	-135.64	374.19	6.52	-129.12
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C(C(=O)[O-])=C1	REAL300000347740	0	42	-2.0	-118.80	371.25	5.46	-113.34
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CC=C1Cl	REAL300000347742	1	38	-2.0	-124.74	345.63	6.76	-117.98
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C(C(=O)[O-])=C1	REAL300000347743	0	38	-2.0	-140.80	351.68	3.54	-137.26
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000347744	0	36	-3.0	-209.05	332.57	7.49	-201.56
CC1=CC(C)=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000347744	1	37	-2.0	-120.65	327.06	7.17	-113.48
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C(C(=O)[O-])=C1	REAL300000347745	0	31	-2.0	-128.73	299.46	4.93	-123.80
CC1=CC(C)=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C(C(=O)[O-])=C1	REAL300000347746	0	36	-2.0	-141.35	331.64	6.30	-135.05
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C(C(=O)[O-])=C1	REAL300000347747	1	39	-2.0	-140.38	335.91	6.75	-133.63
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000347749	0	40	-2.0	-140.57	350.97	9.20	-131.37
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C(C(=O)[O-])=C1	REAL300000347750	0	37	-2.0	-137.22	337.01	6.28	-130.94
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000347751	0	37	-2.0	-127.27	322.84	8.30	-118.97
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000347752	0	38	-2.0	-130.88	344.87	6.98	-123.90
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C(C(=O)[O-])=C1	REAL300000347753	0	39	-2.0	-142.59	336.77	6.71	-135.88
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1F	REAL300000347754	1	43	-2.0	-137.51	382.51	8.39	-129.12
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300000347755	0	43	-2.0	-131.34	367.22	9.83	-121.51
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000347761	0	37	-2.0	-139.51	330.35	7.85	-131.66
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C(C(=O)[O-])=C1	REAL300000347762	0	33	-2.0	-120.96	323.58	6.04	-114.92
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000347763	0	34	-2.0	-125.24	323.99	5.04	-120.20
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C(C(=O)[O-])=C1	REAL300000347764	1	39	-2.0	-127.15	343.99	5.36	-121.79
CC1=CC(C)=C(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347766	0	40	-2.0	-114.86	353.74	8.21	-106.65
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347766	1	39	-3.0	-196.27	349.75	8.04	-188.23
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347768	0	38	-2.0	-136.59	335.11	6.71	-129.88
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C(C(=O)[O-])=C1	REAL300000347769	1	37	-2.0	-117.15	339.69	6.00	-111.15
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000347770	1	42	-2.0	-124.54	362.58	8.72	-115.82
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347771	0	50	-2.0	-143.77	404.88	8.97	-134.80
COC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1Cl	REAL300000347773	0	37	-2.0	-121.63	343.69	4.12	-117.51
CC1=NOC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347774	0	33	-2.0	-119.01	297.05	4.85	-114.16
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000347775	1	38	-2.0	-127.05	349.88	5.07	-121.98
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C(C(=O)[O-])=C1	REAL300000347776	1	37	-2.0	-126.82	335.56	8.00	-118.82
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000347777	1	40	-2.0	-139.06	348.34	7.89	-131.17
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347778	0	43	-2.0	-139.58	380.45	8.25	-131.33
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000347779	0	36	-2.0	-132.02	329.94	7.76	-124.26
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C(C(=O)[O-])=C1	REAL300000347781	1	37	-2.0	-127.68	342.12	5.09	-122.59
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CN=C2F)C(C(=O)[O-])=C1	REAL300000347782	0	33	-2.0	-130.86	300.61	5.08	-125.78
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C(C(=O)[O-])=C1	REAL300000347785	0	33	-2.0	-118.52	301.65	5.06	-113.46
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)C(C(=O)[O-])=C1	REAL300000347787	0	36	-2.0	-134.19	350.69	6.89	-127.30
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C(C(=O)[O-])=C1	REAL300000347788	0	32	-2.0	-129.59	310.51	6.30	-123.29
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000347791	1	34	-2.0	-119.37	322.70	7.47	-111.90
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C(C(=O)[O-])=C1	REAL300000347792	0	43	-2.0	-139.15	362.12	7.21	-131.94
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C(C(=O)[O-])=C1	REAL300000347793	1	41	-2.0	-135.48	365.55	4.75	-130.73
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C(C(=O)[O-])=C1	REAL300000347794	0	42	-2.0	-142.20	352.29	8.06	-134.14
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347795	0	44	-2.0	-128.94	376.30	5.78	-123.16
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(F)=C1	REAL300000347796	0	43	-2.0	-127.11	382.55	8.54	-118.57
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000347802	1	41	-2.0	-150.47	356.07	4.35	-146.12
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000347806	0	39	-2.0	-113.10	357.96	8.53	-104.57
CC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])N1C	REAL300000347809	0	37	-2.0	-123.74	317.62	5.82	-117.92
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1F	REAL300000347810	0	40	-2.0	-129.61	364.75	7.64	-121.97
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347811	1	47	-2.0	-140.85	392.18	8.66	-132.19
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000347814	0	47	-2.0	-127.52	398.92	9.18	-118.34
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000347815	0	39	-2.0	-138.56	347.28	9.10	-129.46
CCC1=NC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=CN1CC1CC1	REAL300000347816	0	47	-2.0	-140.70	394.04	8.71	-131.99
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])O1	REAL300000347817	0	40	-2.0	-125.14	357.21	6.28	-118.86
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=C(C)C=C3C(=O)[O-])C=C2C1	REAL300000347818	1	45	-2.0	-135.96	383.67	7.38	-128.58
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000347819	0	37	-2.0	-130.62	339.84	6.40	-124.22
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000347820	1	42	-2.0	-121.40	365.83	9.03	-112.37
CC1=CC(C)=C(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347821	0	43	-2.0	-131.92	374.05	9.77	-122.15
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347821	1	42	-3.0	-212.45	369.18	9.60	-202.85
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C(C(=O)[O-])=C1	REAL300000347822	0	37	-2.0	-112.73	339.55	5.46	-107.27
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C(C(=O)[O-])=C1	REAL300000347823	0	33	-2.0	-122.42	317.48	5.50	-116.92
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C(C(=O)[O-])=C1	REAL300000347824	1	44	-2.0	-144.53	365.44	10.25	-134.28
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000347826	0	37	-2.0	-131.00	332.52	7.67	-123.33
CC1=CC(C)=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000347828	0	36	-2.0	-143.71	325.47	5.98	-137.73
CCCCN1C=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(C)=N1	REAL300000347829	0	46	-2.0	-127.57	388.15	7.65	-119.92
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(=O)[O-])=C1	REAL300000347831	0	35	-3.0	-218.53	324.61	5.59	-212.94
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347832	0	38	-2.0	-126.32	333.15	7.01	-119.31
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C(C(=O)[O-])=C1	REAL300000347834	1	46	-2.0	-127.73	378.33	9.15	-118.58
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000347835	1	35	-2.0	-121.85	327.38	7.38	-114.47
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000347836	0	37	-2.0	-124.47	330.51	5.40	-119.07
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C(C(=O)[O-])=C1	REAL300000347837	0	36	-2.0	-141.58	322.87	6.08	-135.50
CC1=CC(C)=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C(C(=O)[O-])=C1	REAL300000347837	1	36	-2.0	-125.20	323.71	5.94	-119.26
CC1=CC(C)=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000347838	0	38	-2.0	-137.09	334.18	6.86	-130.23
CC1=CC(C)=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000347839	0	44	-2.0	-129.53	357.83	6.94	-122.59
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000347840	0	46	-2.0	-126.16	363.59	7.24	-118.92
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000347842	0	44	-2.0	-131.19	367.51	7.25	-123.94
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C(C(=O)[O-])=C1	REAL300000347843	0	37	-2.0	-117.09	332.35	5.82	-111.27
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)N=C2Br)C(C(=O)[O-])=C1	REAL300000347844	0	34	-2.0	-125.02	325.67	5.10	-119.92
CC1=CC(C)=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000347848	0	35	-2.0	-108.28	308.54	5.34	-102.94
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C(C(=O)[O-])=C1	REAL300000347848	1	35	-2.0	-128.94	316.64	4.62	-124.32
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347850	0	40	-2.0	-126.91	343.09	6.04	-120.87
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1F	REAL300000347851	1	39	-2.0	-125.40	347.40	7.46	-117.94
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C(C(=O)[O-])=C1	REAL300000347852	0	34	-2.0	-122.95	305.32	4.25	-118.70
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(C#N)=C1	REAL300000347853	0	38	-2.0	-130.11	341.50	7.66	-122.45
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000347854	0	38	-2.0	-140.31	329.98	8.02	-132.29
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C(C(=O)[O-])=C1	REAL300000347858	1	41	-2.0	-135.30	363.70	8.85	-126.45
COC1=NSC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347860	0	34	-2.0	-121.45	319.69	2.69	-118.76
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=NS2)C(C(=O)[O-])=C1	REAL300000347862	0	30	-2.0	-120.87	287.18	4.59	-116.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347865	0	40	-3.0	-200.26	357.12	7.21	-193.05
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347865	1	41	-2.0	-114.91	354.15	7.17	-107.74
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000347866	0	38	-2.0	-133.11	339.47	2.50	-130.61
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000347868	0	34	-2.0	-123.41	317.92	6.69	-116.72
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347870	0	33	-3.0	-198.76	328.71	6.43	-192.33
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C(C(=O)[O-])=C1	REAL300000347871	1	39	-2.0	-138.33	333.66	7.29	-131.04
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347872	0	41	-2.0	-124.49	359.14	7.03	-117.46
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C(C(=O)[O-])=C1	REAL300000347873	0	35	-2.0	-128.50	326.30	7.31	-121.19
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)N=N2)C(C(=O)[O-])=C1	REAL300000347874	0	33	-2.0	-126.30	298.73	3.23	-123.07
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347875	0	37	-2.0	-125.30	354.50	6.20	-119.10
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000347876	0	41	-2.0	-128.02	350.00	6.58	-121.44
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C(C(=O)[O-])=C1	REAL300000347877	0	41	-2.0	-127.48	347.40	6.79	-120.69
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C(C(=O)[O-])=C1	REAL300000347878	0	44	-2.0	-121.39	360.38	7.24	-114.15
CC1=CC(C)=C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C(=O)[O-])=C1	REAL300000347879	0	35	-2.0	-114.59	333.70	6.39	-108.20
CC1=CC(C)=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C(C(=O)[O-])=C1	REAL300000347880	0	45	-2.0	-137.94	375.15	4.92	-133.02
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C(C(=O)[O-])=C1	REAL300000347881	0	40	-2.0	-133.21	367.28	7.80	-125.41
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C(C(=O)[O-])=C1	REAL300000347882	1	40	-2.0	-131.49	350.83	4.12	-127.37
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C(C(=O)[O-])=C1	REAL300000347883	0	31	-2.0	-128.69	302.20	5.58	-123.11
COC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1F	REAL300000347884	1	38	-2.0	-120.90	346.32	6.44	-114.46
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C(C(=O)[O-])=C1	REAL300000347885	0	41	-2.0	-135.18	344.48	6.93	-128.25
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1F	REAL300000347886	0	38	-2.0	-129.01	341.64	6.33	-122.68
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C(C(=O)[O-])=C1	REAL300000347888	0	44	-2.0	-137.86	375.43	8.31	-129.55
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347889	1	37	-2.0	-125.69	322.88	7.62	-118.07
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C(C(=O)[O-])=C1	REAL300000347890	0	42	-2.0	-143.29	357.10	7.49	-135.80
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000347891	0	42	-2.0	-130.89	369.11	6.55	-124.34
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C(C(=O)[O-])=C1	REAL300000347892	1	42	-2.0	-136.70	368.20	9.10	-127.60
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347893	0	38	-2.0	-123.75	340.61	7.30	-116.45
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C(C(=O)[O-])=C1	REAL300000347894	0	40	-2.0	-135.40	354.14	7.52	-127.88
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSC=C2Cl)C(C(=O)[O-])=C1	REAL300000347895	0	31	-2.0	-125.04	298.84	6.17	-118.87
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Br)=NN2C)C(C(=O)[O-])=C1	REAL300000347896	0	34	-2.0	-115.39	319.89	4.96	-110.43
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000347897	0	36	-2.0	-120.23	334.60	6.08	-114.15
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347898	0	39	-2.0	-146.50	340.78	6.52	-139.98
CCN1N=NC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347899	0	36	-2.0	-110.36	309.34	4.10	-106.26
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C(C(=O)[O-])=C1	REAL300000347901	1	35	-2.0	-117.19	314.99	5.69	-111.50
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C(C(=O)[O-])=C1	REAL300000347902	0	37	-2.0	-137.25	339.00	8.34	-128.91
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C(C(=O)[O-])=C1	REAL300000347903	0	37	-2.0	-143.19	344.30	6.59	-136.60
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C(C(=O)[O-])=C1	REAL300000347904	0	41	-2.0	-128.12	350.22	6.58	-121.54
COC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1OC	REAL300000347906	0	42	-2.0	-132.88	356.13	6.79	-126.09
CC1=CC(C)=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000347908	0	37	-2.0	-133.43	329.87	7.19	-126.24
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1OC	REAL300000347909	0	42	-2.0	-141.00	359.87	7.14	-133.86
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C(C(=O)[O-])=C1	REAL300000347910	0	47	-2.0	-129.94	378.34	7.52	-122.42
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000347911	0	38	-2.0	-131.34	351.29	8.82	-122.52
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C(C(=O)[O-])=C1	REAL300000347912	0	41	-2.0	-131.05	352.16	6.76	-124.29
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000347914	0	37	-2.0	-140.84	329.36	6.07	-134.77
CC1=CC(C)=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C(C(=O)[O-])=C1	REAL300000347915	0	39	-2.0	-145.09	344.99	5.31	-139.78
CC1=CC(C)=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000347916	0	41	-2.0	-133.58	334.06	8.50	-125.08
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)C(C(=O)[O-])=C1	REAL300000347917	1	38	-2.0	-133.09	328.47	4.59	-128.50
COC1=NSC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347918	0	34	-2.0	-125.49	317.73	2.76	-122.73
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])N=CN1	REAL300000347919	0	34	-2.0	-140.31	299.37	4.97	-135.34
CC1=CC(C)=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C(C(=O)[O-])=C1	REAL300000347921	1	37	-2.0	-128.91	333.17	7.24	-121.67
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000347922	0	44	-2.0	-128.83	361.45	7.01	-121.82
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)C(C(=O)[O-])=C1	REAL300000347923	1	52	-2.0	-138.12	411.47	10.67	-127.45
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C(C(=O)[O-])=C1	REAL300000347924	0	31	-2.0	-126.45	305.94	6.44	-120.01
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000347925	0	44	-2.0	-132.80	374.09	7.55	-125.25
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C(C(=O)[O-])=C1	REAL300000347926	0	38	-2.0	-136.90	334.43	8.01	-128.89
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)C(C(=O)[O-])=C1	REAL300000347927	1	47	-2.0	-144.57	389.91	5.30	-139.27
COC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000347928	0	43	-2.0	-154.80	365.54	8.11	-146.69
CCCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347929	1	43	-2.0	-137.79	364.16	9.12	-128.67
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347930	0	40	-2.0	-116.87	354.12	5.19	-111.68
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000347931	0	35	-2.0	-125.62	326.52	7.07	-118.55
CC1=CC(C)=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000347932	0	41	-2.0	-128.64	345.09	6.48	-122.16
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347933	0	38	-2.0	-116.15	356.11	8.22	-107.93
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000347936	0	43	-2.0	-118.47	339.04	6.57	-111.90
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000347937	0	43	-2.0	-132.50	364.61	6.61	-125.89
CC1=CC(C)=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000347938	0	41	-2.0	-127.44	347.41	5.97	-121.47
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)C(C(=O)[O-])=C1	REAL300000347939	0	39	-2.0	-123.11	351.14	6.66	-116.45
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000347940	0	45	-2.0	-129.01	374.52	7.72	-121.29
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000347941	1	36	-2.0	-115.77	339.47	7.64	-108.13
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000347942	1	37	-2.0	-122.15	345.28	7.99	-114.16
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C(C(=O)[O-])=C1	REAL300000347943	1	37	-2.0	-131.88	327.94	7.71	-124.17
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C(C(=O)[O-])=C1	REAL300000347944	0	34	-2.0	-124.68	320.44	7.16	-117.52
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000347945	0	34	-2.0	-119.19	332.20	7.00	-112.19
CC1=NN(C)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347946	0	37	-2.0	-122.01	320.12	5.07	-116.94
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000347949	1	37	-2.0	-139.13	317.14	8.05	-131.08
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347950	1	45	-2.0	-150.83	384.35	8.95	-141.88
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)C(C(=O)[O-])=C1	REAL300000347952	1	44	-2.0	-142.89	380.68	8.58	-134.31
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000347954	0	39	-2.0	-128.88	359.24	7.33	-121.55
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1	REAL300000347955	1	43	-2.0	-133.11	378.53	8.54	-124.57
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C(C(=O)[O-])=C1	REAL300000347956	0	35	-2.0	-124.91	331.23	7.69	-117.22
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000347957	0	34	-2.0	-126.48	318.08	7.07	-119.41
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C(C(=O)[O-])=C1	REAL300000347958	1	41	-2.0	-137.70	349.67	9.00	-128.70
COC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=CS1	REAL300000347959	0	35	-2.0	-135.49	322.37	5.35	-130.14
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000347960	0	37	-2.0	-127.31	328.42	8.21	-119.10
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347961	0	40	-2.0	-128.60	366.27	7.26	-121.34
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C(C(=O)[O-])=C1	REAL300000347962	0	41	-2.0	-134.93	355.16	9.06	-125.87
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C(C(=O)[O-])=C1	REAL300000347963	0	44	-2.0	-127.56	364.67	7.53	-120.03
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347964	0	43	-2.0	-127.34	360.42	6.77	-120.57
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)C(C(=O)[O-])=C1	REAL300000347967	0	37	-2.0	-137.04	353.87	3.41	-133.63
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C(C(=O)[O-])=C1	REAL300000347968	0	39	-2.0	-139.61	344.05	5.25	-134.36
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])O1	REAL300000347969	0	37	-2.0	-135.81	326.01	6.51	-129.30
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C(C(=O)[O-])=C1	REAL300000347970	0	34	-2.0	-128.43	323.79	6.13	-122.30
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347971	0	38	-2.0	-127.58	341.38	6.78	-120.80
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)C(C(=O)[O-])=C1	REAL300000347972	0	48	-2.0	-129.53	397.14	6.00	-123.53
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000347973	1	40	-2.0	-136.94	352.98	8.45	-128.49
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C(C(=O)[O-])=C1	REAL300000347974	1	38	-2.0	-133.90	339.36	6.48	-127.42
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000347976	0	35	-2.0	-128.51	323.88	5.35	-123.16
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000347977	0	45	-2.0	-143.67	364.59	9.08	-134.59
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C(C(=O)[O-])=C1	REAL300000347979	0	37	-2.0	-127.03	332.61	5.61	-121.42
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000347980	1	44	-2.0	-138.22	376.69	7.60	-130.62
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)C(C(=O)[O-])=C1	REAL300000347981	0	37	-2.0	-120.65	344.03	6.19	-114.46
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C(C(=O)[O-])=C1	REAL300000347982	0	44	-2.0	-125.33	377.58	8.04	-117.29
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000347983	0	47	-2.0	-128.68	386.50	7.85	-120.83
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C(C(=O)[O-])=C1	REAL300000347985	1	37	-2.0	-135.17	320.00	7.71	-127.46
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000347986	1	46	-2.0	-140.71	385.78	9.50	-131.21
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C(C(=O)[O-])=C1	REAL300000347987	0	37	-2.0	-132.87	325.59	7.31	-125.56
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C(C(=O)[O-])=C1	REAL300000347988	1	36	-2.0	-132.01	331.05	6.29	-125.72
CCN1N=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=N1	REAL300000347989	0	36	-2.0	-131.85	320.85	3.77	-128.08
CCN1N=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1Cl	REAL300000347990	0	37	-2.0	-119.73	335.54	5.67	-114.06
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C(C(=O)[O-])=C1	REAL300000347991	0	36	-2.0	-120.52	341.12	6.18	-114.34
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C(C(=O)[O-])=C1	REAL300000347992	0	31	-2.0	-129.01	299.68	5.52	-123.49
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C(C(=O)[O-])=C1	REAL300000347993	1	39	-2.0	-137.26	350.66	7.74	-129.52
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000347994	1	43	-2.0	-142.86	356.17	9.61	-133.25
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000347996	0	34	-2.0	-121.41	327.96	7.50	-113.91
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])O1	REAL300000347997	0	40	-2.0	-145.15	363.56	3.20	-141.95
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000347998	0	44	-2.0	-132.85	373.00	8.13	-124.72
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000348000	0	38	-2.0	-132.56	344.26	8.21	-124.35
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000348001	1	37	-2.0	-112.93	345.56	7.71	-105.22
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C(C(=O)[O-])=C1	REAL300000348003	0	30	-2.0	-119.15	303.86	5.33	-113.82
CC1=COC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000348004	0	34	-2.0	-130.86	305.02	5.57	-125.29
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1	REAL300000348005	1	44	-2.0	-132.33	386.62	8.81	-123.52
COC1=CSC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1OC	REAL300000348006	0	39	-2.0	-128.33	347.20	5.48	-122.85
CC1=CC(C)=C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000348007	0	35	-2.0	-106.77	328.26	5.13	-101.64
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000348008	0	33	-2.0	-115.22	317.71	5.56	-109.66
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C(C(=O)[O-])=C1	REAL300000348009	1	38	-2.0	-127.72	345.58	6.54	-121.18
CC1=CC(C)=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C(C(=O)[O-])=C1	REAL300000348010	0	40	-2.0	-127.43	343.53	6.90	-120.53
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000348011	1	41	-2.0	-140.58	353.81	8.67	-131.91
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000348012	0	37	-2.0	-126.95	326.39	8.09	-118.86
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000348013	0	31	-2.0	-119.94	325.17	7.00	-112.94
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000348014	0	34	-2.0	-125.48	320.30	4.95	-120.53
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000348015	0	47	-2.0	-135.20	392.25	9.30	-125.90
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000348016	1	39	-2.0	-131.25	351.41	7.55	-123.70
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C(C(=O)[O-])=C1	REAL300000348017	1	45	-2.0	-132.06	388.72	9.75	-122.31
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C(C(=O)[O-])=C1	REAL300000348018	1	40	-2.0	-141.85	334.01	8.59	-133.26
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C(C(=O)[O-])=C1	REAL300000348019	0	32	-2.0	-129.48	303.08	5.36	-124.12
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C(C(=O)[O-])=C1	REAL300000348020	1	39	-2.0	-131.96	354.95	5.48	-126.48
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C(C(=O)[O-])=C1	REAL300000348021	0	35	-2.0	-128.90	341.59	5.70	-123.20
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000348022	0	43	-2.0	-135.29	380.50	5.95	-129.34
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])S1	REAL300000348022	1	42	-3.0	-204.94	377.20	4.82	-200.12
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)C(C(=O)[O-])=C1	REAL300000348023	0	36	-2.0	-122.75	325.97	6.20	-116.55
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000348024	1	45	-2.0	-141.93	383.40	8.54	-133.39
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000348025	0	44	-2.0	-131.53	373.70	7.62	-123.91
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000348026	0	38	-2.0	-129.05	330.98	6.07	-122.98
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C(C(=O)[O-])=C1	REAL300000348027	1	40	-2.0	-131.38	363.08	9.67	-121.71
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000348030	0	47	-2.0	-128.26	385.11	8.05	-120.21
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(C(=O)[O-])=C1	REAL300000348031	0	31	-2.0	-126.55	299.22	5.40	-121.15
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C(C(=O)[O-])=C1	REAL300000348032	0	31	-2.0	-126.07	309.25	6.40	-119.67
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000348033	0	48	-2.0	-141.62	405.27	7.15	-134.47
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C(C(=O)[O-])=C1	REAL300000348034	0	40	-2.0	-135.82	357.06	9.68	-126.14
CC1=CC(C)=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000348035	0	42	-2.0	-128.91	350.28	4.61	-124.30
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C(C(=O)[O-])=C1	REAL300000348036	1	41	-2.0	-135.75	341.49	8.94	-126.81
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(C)=N1	REAL300000348040	1	40	-2.0	-124.36	341.04	4.24	-120.12
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000348041	0	40	-2.0	-135.52	347.51	4.69	-130.83
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000348042	0	37	-2.0	-128.70	342.82	4.54	-124.16
COC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1C	REAL300000348043	1	40	-2.0	-125.35	347.75	4.31	-121.04
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000348044	0	43	-2.0	-126.13	367.51	7.00	-119.13
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C=C1C(=O)[O-]	REAL300000348045	0	43	-2.0	-129.37	363.83	6.62	-122.75
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C(C(=O)[O-])=C1	REAL300000348046	0	33	-2.0	-128.67	327.42	4.87	-123.80
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C(C(=O)[O-])=C1	REAL300000348047	0	32	-2.0	-126.45	303.39	5.30	-121.15
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C(C(=O)[O-])=C1	REAL300000348048	0	32	-2.0	-127.69	312.51	6.22	-121.47
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C(C(=O)[O-])=C1	REAL300000348049	0	40	-2.0	-121.59	340.76	6.11	-115.48
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C1C	REAL300000348050	0	42	-2.0	-122.47	367.11	6.28	-116.19
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(=O)[O-])=C1	REAL300000348051	0	44	-2.0	-111.95	379.11	9.53	-102.42
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(=O)[O-])=C1	REAL300000348051	1	43	-3.0	-206.94	374.54	9.34	-197.60
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000348052	0	37	-2.0	-130.96	337.60	8.37	-122.59
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C(C(=O)[O-])=C1	REAL300000348053	0	41	-2.0	-122.28	350.81	6.74	-115.54
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000348054	0	41	-2.0	-128.30	347.20	7.90	-120.40
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=NN1C(C)C	REAL300000348056	0	43	-2.0	-132.76	363.16	6.68	-126.08
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C(C(=O)[O-])=C1	REAL300000348057	1	41	-2.0	-139.70	359.68	9.10	-130.60
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000348058	0	36	-2.0	-133.56	329.68	6.01	-127.55
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)C(C(=O)[O-])=C1	REAL300000348059	0	34	-2.0	-126.26	339.34	3.04	-123.22
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000348061	1	41	-2.0	-133.20	361.62	9.13	-124.07
CC1=CC(C)=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C(C(=O)[O-])=C1	REAL300000348062	0	38	-2.0	-130.25	350.90	7.36	-122.89
CC1=CC(C)=C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(=O)[O-])=C1	REAL300000348063	0	44	-2.0	-111.96	376.84	9.51	-102.45
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(=O)[O-])=C1	REAL300000348063	1	43	-3.0	-200.71	374.35	9.35	-191.36
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C(C(=O)[O-])=C1	REAL300000348064	1	35	-2.0	-135.82	311.12	4.04	-131.78
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000348065	0	37	-2.0	-134.06	333.50	7.73	-126.33
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSN=C2)C(C(=O)[O-])=C1	REAL300000348066	0	30	-2.0	-118.35	285.58	4.50	-113.85
CC1=CC(C)=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000348067	0	38	-2.0	-149.83	347.83	6.18	-143.65
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C(C(=O)[O-])=C1	REAL300000348068	1	41	-2.0	-139.64	353.69	9.07	-130.57
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2Cl)C(C(=O)[O-])=C1	REAL300000348069	0	37	-2.0	-127.73	345.71	8.44	-119.29
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000348070	0	41	-2.0	-131.40	368.38	7.96	-123.44
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C(C(F)F)=C1	REAL300000348071	1	41	-2.0	-128.14	347.27	7.18	-120.96
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000348072	0	42	-2.0	-149.20	358.16	8.05	-141.15
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000348073	0	39	-3.0	-187.60	344.15	7.22	-180.38
CCC1=C(S(=O)(=O)NC2=C(C)C=C(C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000348073	1	40	-2.0	-103.65	346.24	6.35	-97.30
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000348074	0	47	-2.0	-142.59	390.43	8.92	-133.67
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])C=C(Cl)S1	REAL300000348075	0	34	-2.0	-116.62	317.50	7.11	-109.51
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN=CS2)C(C(=O)[O-])=C1	REAL300000348076	0	30	-2.0	-127.30	286.69	4.01	-123.29
CC1=CC(C)=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000348077	0	41	-2.0	-134.89	344.19	6.20	-128.69
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=C(C)C=C2C(=O)[O-])=C1	REAL300000348078	0	37	-2.0	-136.63	327.36	7.62	-129.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)C3=CC=CC=C3)=CC=C2)=CC=C1F	REAL300000348079	1	40	-2.0	-102.79	366.86	8.28	-94.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)C=C1	REAL300000348080	1	40	-2.0	-93.08	362.30	8.25	-84.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)=C1	REAL300000348081	1	40	-2.0	-105.44	362.30	8.24	-97.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000348082	1	43	-2.0	-106.34	378.23	8.78	-97.56
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)=C1	REAL300000348083	0	40	-2.0	-102.95	367.78	8.31	-94.64
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)=C1	REAL300000348084	0	37	-2.0	-99.87	355.49	7.26	-92.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300000348085	1	43	-2.0	-113.19	377.74	9.04	-104.15
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000348086	0	41	-2.0	-111.98	368.96	7.60	-104.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)C3=CC=CC=C3)=CC=C2)=CS1	REAL300000348087	0	37	-2.0	-101.33	353.97	7.29	-94.04
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000348088	0	40	-2.0	-99.71	365.31	7.38	-92.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)C3=CC=CC=C3)=CC=C2)C=C1F	REAL300000348089	1	40	-2.0	-92.71	366.82	8.29	-84.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)C3=CC=CC=C3)=CC=C2)S1	REAL300000348090	0	37	-2.0	-95.54	354.59	7.38	-88.16
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)=C1	REAL300000348091	1	40	-2.0	-104.34	368.72	8.31	-96.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)C(F)=C1	REAL300000348092	0	40	-2.0	-99.93	367.78	8.32	-91.61
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)=C1	REAL300000348093	0	41	-2.0	-111.60	372.01	5.96	-105.64
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(=O)C3=CC=CC=C3)=C2)=C1	REAL300000348093	1	41	-2.0	-105.81	361.04	6.84	-98.97
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)C=C1	REAL300000348094	1	43	-2.0	-96.77	384.49	9.03	-87.74
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300000348095	1	43	-2.0	-101.37	372.36	8.89	-92.48
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000348097	0	44	-2.0	-113.32	390.33	8.47	-104.85
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000348098	1	43	-2.0	-93.37	378.25	8.80	-84.57
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)C3=CC=CC=C3)=CC=C2)=CC=C1	REAL300000348099	0	40	-2.0	-117.86	365.97	8.29	-109.57
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)=C1	REAL300000348100	0	39	-2.0	-108.98	359.29	6.30	-102.68
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000348101	0	43	-2.0	-99.54	384.43	8.23	-91.31
CCC1=CC=CC2=C1N(S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)CC2	REAL300000348129	0	41	-2.0	-112.06	348.38	8.81	-103.25
CCC1=CC=CC2=C1N(S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])CC2	REAL300000348154	0	39	-2.0	-107.00	318.43	6.57	-100.43
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1)OCCO2	REAL300000348189	1	38	-2.0	-111.74	354.08	5.25	-106.49
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)OCCO2	REAL300000348190	1	38	-2.0	-101.65	349.52	5.22	-96.43
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)OCCO2	REAL300000348191	1	38	-2.0	-114.48	349.54	5.21	-109.27
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)OCCO2	REAL300000348192	1	41	-2.0	-115.73	365.56	5.75	-109.98
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)OCCO2	REAL300000348193	0	38	-2.0	-111.99	355.02	5.28	-106.71
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)OCCO2	REAL300000348194	0	35	-2.0	-108.64	342.73	4.23	-104.41
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)OCCO2	REAL300000348195	1	41	-2.0	-115.33	364.97	6.02	-109.31
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)OCCO2	REAL300000348196	0	39	-2.0	-112.73	356.18	4.57	-108.16
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)OCCO2	REAL300000348197	0	35	-2.0	-110.07	341.19	4.25	-105.82
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)OCCO2	REAL300000348198	0	38	-2.0	-108.13	352.55	4.35	-103.78
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)OCCO2	REAL300000348199	0	38	-2.0	-100.99	354.06	5.24	-95.75
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)OCCO2	REAL300000348200	0	35	-2.0	-103.49	341.80	4.35	-99.14
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)OCCO2	REAL300000348201	0	38	-2.0	-105.25	355.95	5.28	-99.97
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)OCCO2	REAL300000348202	0	38	-2.0	-101.13	355.00	5.29	-95.84
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)OCCO2	REAL300000348203	0	39	-2.0	-114.21	359.26	2.93	-111.28
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)OCCO2	REAL300000348204	1	41	-2.0	-105.29	371.71	5.99	-99.30
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)OCCO2	REAL300000348205	1	41	-2.0	-110.35	359.57	5.85	-104.50
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)OCCO2	REAL300000348206	1	41	-2.0	-101.66	364.95	5.98	-95.68
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2SC)OCCO3)C=C1C(=O)[O-]	REAL300000348207	0	42	-2.0	-113.98	377.48	5.43	-108.55
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)OCCO2	REAL300000348208	1	41	-2.0	-101.76	365.55	5.76	-96.00
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)OCCO2	REAL300000348209	0	38	-2.0	-118.43	353.18	5.24	-113.19
CSC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)OCCO2	REAL300000348210	0	37	-2.0	-112.33	345.75	3.33	-109.00
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2SC)OCCO3)C=C(C(=O)[O-])O1	REAL300000348211	0	41	-2.0	-107.76	371.66	5.20	-102.56
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1F	REAL300000348212	0	33	-2.0	-93.91	318.71	3.39	-90.52
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1F	REAL300000348212	1	33	-2.0	-93.91	318.67	3.39	-90.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1F	REAL300000348212	1	32	-3.0	-161.32	315.96	3.43	-157.89
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300000348213	0	33	-2.0	-95.53	317.92	3.28	-92.25
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300000348213	1	33	-2.0	-95.60	317.89	3.29	-92.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300000348213	1	32	-3.0	-150.09	311.42	3.41	-146.68
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348214	0	33	-2.0	-91.72	317.93	3.27	-88.45
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348214	1	33	-2.0	-91.72	317.91	3.28	-88.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348214	1	32	-3.0	-164.32	311.45	3.40	-160.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348214	1	32	-3.0	-164.31	311.47	3.40	-160.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348215	0	36	-3.0	-170.25	339.57	3.20	-167.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348215	1	36	-3.0	-170.24	339.60	3.20	-167.04
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300000348216	0	37	-2.0	-95.13	345.54	4.68	-90.45
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300000348216	1	37	-2.0	-95.17	345.51	4.69	-90.48
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300000348216	1	36	-3.0	-150.12	342.88	4.70	-145.42
CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000348217	0	36	-2.0	-110.87	337.77	3.91	-106.96
CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348217	1	36	-2.0	-110.95	337.75	3.92	-107.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348217	1	35	-3.0	-166.99	331.52	4.05	-162.94
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348218	0	32	-3.0	-160.24	324.50	3.97	-156.27
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348218	1	32	-3.0	-160.24	324.52	3.98	-156.26
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1Cl	REAL300000348219	0	33	-2.0	-90.78	326.67	3.76	-87.02
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1Cl	REAL300000348219	1	33	-2.0	-90.79	326.65	3.76	-87.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1Cl	REAL300000348219	1	32	-3.0	-159.94	323.94	3.79	-156.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1Cl	REAL300000348219	1	32	-3.0	-159.96	323.96	3.80	-156.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL300000348220	0	39	-2.0	-110.79	346.50	4.68	-106.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300000348220	1	39	-2.0	-110.80	346.47	4.69	-106.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300000348220	1	38	-3.0	-167.28	343.83	4.71	-162.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348221	0	32	-3.0	-161.55	316.91	3.46	-158.09
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348221	1	32	-3.0	-161.51	316.93	3.47	-158.04
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300000348222	0	39	-2.0	-93.50	357.65	4.96	-88.54
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300000348222	1	39	-2.0	-93.57	357.63	4.97	-88.60
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300000348222	1	38	-3.0	-149.58	354.99	4.99	-144.59
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300000348222	1	38	-3.0	-149.64	355.02	4.99	-144.65
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348223	0	29	-3.0	-157.15	304.62	2.42	-154.73
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348223	1	29	-3.0	-157.17	304.64	2.43	-154.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348224	0	36	-2.0	-109.13	326.37	3.75	-105.38
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348224	1	36	-2.0	-109.13	326.35	3.76	-105.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348224	1	35	-3.0	-165.48	326.87	4.19	-161.29
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300000348225	0	37	-2.0	-94.89	345.16	3.66	-91.23
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300000348225	1	37	-2.0	-94.88	345.13	3.67	-91.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300000348225	1	36	-3.0	-148.90	342.50	3.69	-145.21
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348226	0	33	-3.0	-162.03	318.08	2.76	-159.27
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000348226	1	33	-3.0	-162.01	318.10	2.76	-159.25
CN1C=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348226	1	34	-2.0	-92.47	324.52	2.62	-89.85
CN1C=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000348226	1	34	-2.0	-92.45	324.54	2.62	-89.83
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348227	0	37	-2.0	-110.34	337.53	2.22	-108.12
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348227	1	37	-2.0	-110.26	337.50	2.23	-108.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348228	0	32	-3.0	-152.95	320.56	3.09	-149.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348228	1	32	-3.0	-153.01	320.59	3.09	-149.92
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000348229	0	39	-2.0	-110.43	345.87	4.37	-106.06
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348229	1	39	-2.0	-110.41	345.84	4.37	-106.04
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348229	1	38	-3.0	-166.95	342.89	4.73	-162.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300000348230	0	29	-3.0	-159.03	303.08	2.43	-156.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300000348230	1	29	-3.0	-159.04	303.10	2.44	-156.60
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300000348230	1	30	-2.0	-107.08	305.78	2.41	-104.67
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300000348230	1	30	-2.0	-107.09	305.80	2.41	-104.68
COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000348231	0	37	-2.0	-116.01	345.21	3.34	-112.67
COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348231	1	37	-2.0	-116.10	345.18	3.35	-112.75
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348231	1	36	-3.0	-170.33	338.72	3.47	-166.86
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348232	0	43	-2.0	-109.87	367.69	5.58	-104.29
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348232	1	43	-2.0	-109.84	367.67	5.58	-104.26
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348232	1	42	-3.0	-169.73	366.66	6.03	-163.70
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348232	1	42	-3.0	-169.68	366.68	6.03	-163.65
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348233	0	42	-2.0	-107.95	365.73	4.99	-102.96
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348233	1	42	-2.0	-108.03	365.71	4.99	-103.04
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348233	1	41	-3.0	-168.32	365.33	5.42	-162.90
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348233	1	41	-3.0	-168.27	365.35	5.42	-162.85
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348234	0	39	-2.0	-108.54	343.82	4.60	-103.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348234	1	39	-2.0	-108.51	343.81	4.61	-103.90
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348234	1	38	-3.0	-164.46	341.58	5.13	-159.33
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348235	0	39	-3.0	-171.87	361.87	3.96	-167.91
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348235	1	39	-3.0	-171.86	361.89	3.97	-167.89
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C(=O)[O-])=C1	REAL300000348236	0	35	-3.0	-171.77	342.57	3.93	-167.84
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1	REAL300000348236	1	35	-3.0	-171.78	342.55	3.92	-167.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1	REAL300000348236	1	34	-4.0	-245.26	339.84	3.97	-241.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C(=O)[O-])=C1	REAL300000348236	1	34	-4.0	-245.23	339.86	3.97	-241.26
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348237	0	40	-2.0	-111.13	358.42	5.28	-105.85
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348237	1	40	-2.0	-111.13	358.39	5.28	-105.85
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348237	1	39	-3.0	-169.70	355.68	5.31	-164.39
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348237	1	39	-3.0	-169.70	355.71	5.31	-164.39
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000348238	0	32	-3.0	-156.58	314.47	2.55	-154.03
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C(=O)[O-])O1	REAL300000348238	1	32	-3.0	-156.53	314.49	2.55	-153.98
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348239	0	36	-3.0	-165.98	340.40	2.49	-163.49
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348239	1	36	-3.0	-165.99	340.42	2.49	-163.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C(Cl)C=C1F	REAL300000348240	0	32	-3.0	-156.45	329.02	3.98	-152.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C(Cl)C=C1F	REAL300000348240	1	32	-3.0	-156.41	329.04	3.99	-152.42
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(Cl)C=C1F	REAL300000348240	1	33	-2.0	-100.68	331.67	3.98	-96.70
CC1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1OCC(=O)[O-]	REAL300000348241	0	40	-2.0	-94.71	369.08	4.26	-90.45
CC1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1OCC(=O)[O-]	REAL300000348241	1	40	-2.0	-94.73	369.05	4.27	-90.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1OCC(=O)[O-]	REAL300000348241	1	39	-3.0	-149.33	362.59	4.39	-144.94
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348242	0	36	-2.0	-102.28	331.78	3.78	-98.50
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348242	1	36	-2.0	-102.30	331.76	3.79	-98.51
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348242	1	35	-3.0	-155.38	332.14	4.23	-151.15
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348242	1	35	-3.0	-155.39	332.16	4.23	-151.16
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300000348243	0	37	-2.0	-94.89	355.22	3.62	-91.27
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300000348243	1	37	-2.0	-94.91	355.20	3.63	-91.28
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300000348243	1	36	-3.0	-148.03	348.72	3.75	-144.28
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300000348243	1	36	-3.0	-148.05	348.75	3.75	-144.30
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000348244	0	40	-2.0	-118.23	363.30	4.35	-113.88
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348244	1	40	-2.0	-118.20	363.27	4.34	-113.86
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348244	1	39	-3.0	-170.98	360.57	4.38	-166.60
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000348245	0	32	-3.0	-161.12	320.04	3.29	-157.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C(=O)[O-])S1	REAL300000348245	1	32	-3.0	-161.12	320.07	3.30	-157.82
CC1=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000348245	1	33	-2.0	-107.38	322.80	3.26	-104.12
CC1=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C(=O)[O-])S1	REAL300000348245	1	33	-2.0	-107.38	322.83	3.26	-104.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(Cl)=C1	REAL300000348246	0	32	-3.0	-148.29	324.48	3.96	-144.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(Cl)=C1	REAL300000348246	1	32	-3.0	-148.28	324.51	3.96	-144.32
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(Cl)=C1	REAL300000348246	1	33	-2.0	-91.72	327.14	3.94	-87.78
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(Cl)=C1	REAL300000348246	1	33	-2.0	-91.64	327.16	3.95	-87.69
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300000348247	0	33	-2.0	-98.95	322.45	3.31	-95.64
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300000348247	1	33	-2.0	-98.99	322.43	3.32	-95.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300000348247	1	32	-3.0	-149.35	315.97	3.44	-145.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300000348247	1	32	-3.0	-149.38	315.99	3.44	-145.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300000348248	0	29	-3.0	-151.50	303.69	2.53	-148.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300000348248	1	29	-3.0	-151.46	303.71	2.53	-148.93
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348249	0	32	-3.0	-154.66	317.84	3.47	-151.19
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348249	1	33	-2.0	-88.06	324.38	3.35	-84.71
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348249	1	33	-2.0	-88.00	324.40	3.34	-84.66
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348249	1	32	-3.0	-154.60	317.86	3.47	-151.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1F	REAL300000348250	0	35	-3.0	-162.95	337.20	4.10	-158.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1F	REAL300000348250	1	35	-3.0	-162.96	337.23	4.11	-158.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300000348251	0	32	-3.0	-149.69	316.89	3.47	-146.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300000348251	1	32	-3.0	-149.71	316.92	3.47	-146.24
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300000348252	0	33	-2.0	-94.84	330.42	3.67	-91.17
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300000348252	1	33	-2.0	-94.90	330.40	3.68	-91.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300000348252	1	32	-3.0	-147.72	323.94	3.80	-143.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300000348252	1	32	-3.0	-147.69	323.96	3.81	-143.88
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348253	0	36	-2.0	-103.04	340.56	4.18	-98.86
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348253	1	36	-2.0	-103.05	340.53	4.19	-98.86
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348253	1	35	-3.0	-157.31	340.87	4.61	-152.70
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348253	1	35	-3.0	-157.24	340.90	4.61	-152.63
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(F)=C1F	REAL300000348254	0	33	-2.0	-90.13	328.97	3.36	-86.77
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(F)=C1F	REAL300000348254	1	33	-2.0	-90.26	328.96	3.36	-86.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(F)=C1F	REAL300000348254	1	32	-3.0	-152.35	322.26	3.49	-148.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC(F)=C1F	REAL300000348254	1	32	-3.0	-152.38	322.28	3.50	-148.88
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348255	0	34	-3.0	-148.63	339.62	4.07	-144.56
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348255	1	34	-3.0	-148.61	339.64	4.07	-144.54
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348255	1	35	-2.0	-87.00	346.17	3.95	-83.05
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348255	1	35	-2.0	-87.00	346.19	3.94	-83.06
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348256	0	33	-3.0	-164.35	321.15	1.11	-163.24
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348256	1	33	-3.0	-164.34	321.17	1.12	-163.22
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300000348257	0	36	-2.0	-93.56	336.26	4.16	-89.40
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300000348257	1	36	-2.0	-93.59	336.23	4.17	-89.42
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300000348257	1	35	-3.0	-154.48	333.60	4.19	-150.29
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300000348257	1	35	-3.0	-154.44	333.62	4.19	-150.25
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(Cl)=C1F	REAL300000348258	0	33	-2.0	-89.70	338.86	3.80	-85.90
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(Cl)=C1F	REAL300000348258	1	33	-2.0	-89.82	338.85	3.80	-86.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(Cl)=C1F	REAL300000348258	1	32	-3.0	-154.04	332.15	3.93	-150.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC(Cl)=C1F	REAL300000348258	1	32	-3.0	-154.04	332.17	3.93	-150.11
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348259	0	36	-2.0	-92.65	324.14	4.02	-88.63
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348259	1	36	-2.0	-92.69	324.10	4.03	-88.66
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348259	1	35	-3.0	-161.95	325.25	4.14	-157.81
CC1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000348260	0	36	-2.0	-112.47	342.84	3.93	-108.54
CC1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000348260	1	36	-2.0	-112.52	342.80	3.93	-108.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000348260	1	35	-3.0	-162.64	336.27	4.05	-158.59
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348261	0	36	-2.0	-98.55	329.64	4.14	-94.41
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348261	1	36	-2.0	-98.51	329.61	4.15	-94.36
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348261	1	35	-3.0	-150.65	326.84	4.17	-146.48
CC1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000348262	0	39	-2.0	-90.79	351.01	4.33	-86.46
CC1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000348262	1	39	-2.0	-90.79	350.98	4.33	-86.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000348262	1	38	-3.0	-167.76	344.31	4.47	-163.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000348263	0	34	-3.0	-161.46	338.01	4.49	-156.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000348263	1	34	-3.0	-161.50	338.03	4.49	-157.01
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000348263	1	35	-2.0	-118.75	344.48	4.37	-114.38
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000348263	1	35	-2.0	-118.77	344.51	4.36	-114.41
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348264	0	32	-3.0	-152.62	323.18	3.53	-149.09
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348264	1	32	-3.0	-152.66	323.20	3.53	-149.13
CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=C1C(=O)[O-]	REAL300000348265	0	39	-2.0	-96.38	347.36	4.78	-91.60
CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1C(=O)[O-]	REAL300000348265	1	39	-2.0	-96.42	347.33	4.79	-91.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1C(=O)[O-]	REAL300000348265	1	38	-3.0	-165.46	344.82	4.81	-160.65
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348266	0	35	-3.0	-162.82	332.91	4.00	-158.82
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000348266	1	35	-3.0	-162.84	332.93	4.00	-158.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300000348267	0	35	-3.0	-162.12	343.18	4.54	-157.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300000348267	1	35	-3.0	-162.10	343.20	4.54	-157.56
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348268	0	35	-3.0	-169.56	336.44	4.09	-165.47
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348268	1	35	-3.0	-169.52	336.47	4.09	-165.43
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000348269	0	39	-2.0	-91.68	348.59	4.56	-87.12
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348269	1	39	-2.0	-91.65	348.56	4.56	-87.09
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348269	1	38	-3.0	-166.57	345.66	4.59	-161.98
COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1CC(=O)[O-]	REAL300000348270	0	40	-2.0	-96.07	368.38	3.41	-92.66
COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1CC(=O)[O-]	REAL300000348270	1	40	-2.0	-96.08	368.39	3.40	-92.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1CC(=O)[O-]	REAL300000348270	1	39	-3.0	-167.48	361.91	3.53	-163.95
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348271	0	36	-2.0	-88.97	340.00	4.55	-84.42
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348271	1	36	-2.0	-88.99	339.97	4.56	-84.43
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348271	1	35	-3.0	-153.83	337.69	4.59	-149.24
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348271	1	35	-3.0	-153.78	337.72	4.59	-149.19
CC1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000348272	0	36	-2.0	-108.93	349.23	4.23	-104.70
CC1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000348272	1	36	-2.0	-108.98	349.20	4.24	-104.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000348272	1	35	-3.0	-161.74	342.65	4.37	-157.37
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000348272	1	35	-3.0	-161.71	342.67	4.37	-157.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348273	0	36	-3.0	-163.37	339.45	3.62	-159.75
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000348273	1	36	-3.0	-163.38	339.47	3.62	-159.76
CCN1C=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348273	1	37	-2.0	-92.96	345.88	3.48	-89.48
CCN1C=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000348273	1	37	-2.0	-92.95	345.92	3.47	-89.48
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000348274	0	36	-2.0	-104.99	351.74	4.34	-100.65
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348274	1	36	-2.0	-104.95	351.71	4.35	-100.60
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348274	1	35	-3.0	-158.71	345.21	4.47	-154.24
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000348274	1	35	-3.0	-158.77	345.24	4.47	-154.30
CC1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C(=O)[O-]	REAL300000348275	0	36	-2.0	-95.38	333.89	3.83	-91.55
CC1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C(=O)[O-]	REAL300000348275	1	36	-2.0	-95.34	333.87	3.83	-91.51
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C(=O)[O-]	REAL300000348275	1	35	-3.0	-150.23	327.44	3.95	-146.28
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348276	0	36	-2.0	-110.94	334.18	4.16	-106.78
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348276	1	36	-2.0	-110.94	334.15	4.18	-106.76
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348276	1	35	-3.0	-162.26	331.38	4.22	-158.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1[N+](=O)[O-]	REAL300000348277	0	34	-3.0	-172.72	335.16	5.26	-167.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1[N+](=O)[O-]	REAL300000348277	1	34	-3.0	-172.68	335.18	5.26	-167.42
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1F	REAL300000348278	0	32	-3.0	-168.79	315.05	3.43	-165.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1F	REAL300000348278	1	32	-3.0	-168.82	315.07	3.43	-165.39
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000348279	0	36	-2.0	-104.20	342.89	3.95	-100.25
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348279	1	36	-2.0	-104.16	342.87	3.96	-100.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300000348279	1	35	-3.0	-156.68	336.39	4.08	-152.60
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000348279	1	35	-3.0	-156.66	336.42	4.08	-152.58
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC2=CC=CC=C21	REAL300000348280	0	39	-2.0	-119.96	354.76	5.47	-114.49
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC2=CC=CC=C21	REAL300000348280	1	39	-2.0	-119.94	354.74	5.47	-114.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC2=CC=CC=C21	REAL300000348280	1	38	-3.0	-173.35	352.48	5.52	-167.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC2=CC=CC=C21	REAL300000348280	1	38	-3.0	-173.35	352.50	5.52	-167.83
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300000348281	0	31	-3.0	-161.79	307.64	1.52	-160.27
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300000348281	1	31	-3.0	-161.82	307.66	1.54	-160.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348282	0	36	-3.0	-154.90	339.63	3.21	-151.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300000348282	1	36	-3.0	-154.88	339.66	3.21	-151.67
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300000348282	1	37	-2.0	-95.59	342.36	3.16	-92.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C(Cl)O1	REAL300000348283	0	29	-3.0	-150.13	311.58	2.38	-147.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C(Cl)O1	REAL300000348283	1	29	-3.0	-150.14	311.60	2.38	-147.76
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)CC1	REAL300000348284	0	40	-2.0	-91.96	364.13	5.16	-86.80
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)CC1	REAL300000348284	1	40	-2.0	-92.03	364.10	5.17	-86.86
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)CC1	REAL300000348284	1	39	-3.0	-157.48	357.56	5.29	-152.19
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)CC1	REAL300000348284	1	39	-3.0	-157.47	357.58	5.29	-152.18
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C1	REAL300000348285	0	40	-2.0	-93.16	363.59	5.16	-88.00
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C1	REAL300000348285	1	40	-2.0	-93.20	363.58	5.17	-88.03
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C1	REAL300000348285	1	39	-3.0	-160.79	356.88	5.29	-155.50
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C1	REAL300000348285	1	39	-3.0	-160.82	356.90	5.30	-155.52
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000348286	0	35	-3.0	-156.78	333.56	3.40	-153.38
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C(=O)[O-])O1	REAL300000348286	1	35	-3.0	-156.80	333.58	3.40	-153.40
CSC1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000348314	0	38	-2.0	-111.89	358.87	8.12	-103.77
CSC1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000348337	0	36	-2.0	-109.42	333.20	6.11	-103.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N2C=CC=C2)=CC=C1F	REAL300000348374	1	40	-2.0	-115.44	356.45	7.75	-107.69
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)=C1	REAL300000348377	1	36	-2.0	-105.42	341.39	8.52	-96.90
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)=C1	REAL300000348380	1	36	-2.0	-107.22	333.78	8.01	-99.21
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)=C1	REAL300000348382	0	33	-2.0	-104.24	321.50	6.98	-97.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)=C1	REAL300000348387	1	36	-2.0	-100.32	337.42	7.64	-92.68
CC1=C(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000348392	1	36	-2.0	-103.75	331.32	7.10	-96.65
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)=C1	REAL300000348393	1	40	-2.0	-111.28	357.23	7.04	-104.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)S1	REAL300000348398	1	33	-2.0	-99.06	320.58	7.09	-91.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)=C1F	REAL300000348400	1	39	-2.0	-108.71	354.07	8.65	-100.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)C(F)=C1	REAL300000348401	1	36	-2.0	-96.77	333.78	8.02	-88.75
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(N3C=CC=C3)=CC=C2F)=C1	REAL300000348404	0	37	-2.0	-109.83	340.70	6.42	-103.41
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)=C1	REAL300000348410	1	36	-2.0	-98.80	340.07	8.07	-90.73
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)C=C1C(=O)[O-]	REAL300000348412	1	39	-2.0	-109.63	353.63	8.65	-100.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)=C1	REAL300000348413	1	39	-2.0	-115.05	353.35	8.64	-106.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)=C1F	REAL300000348418	1	36	-2.0	-114.29	331.94	7.97	-106.32
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)=C1	REAL300000348420	0	35	-2.0	-107.19	325.29	6.03	-101.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(N2C=CC=C2)=CC=C1F	REAL300000348421	1	40	-2.0	-101.63	356.52	7.75	-93.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)=C(Cl)O1	REAL300000348422	1	33	-2.0	-97.59	328.42	6.94	-90.65
CCC1=C(S(=O)(=O)[N-]C2=CC(N3C=CC=C3)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000348423	1	39	-2.0	-103.65	350.44	7.95	-95.70
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CC2=CSC=C2)C2=CC=CC=C2)=C1	REAL300000348441	0	39	-2.0	-108.63	364.10	7.88	-100.75
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=CC=C1F	REAL300000348451	0	36	-2.0	-108.13	354.04	0.45	-107.68
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)=CC=C1F	REAL300000348451	1	35	-3.0	-207.17	350.86	-0.34	-207.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C1	REAL300000348452	0	36	-2.0	-98.65	349.48	0.42	-98.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)C=C1	REAL300000348452	1	35	-3.0	-194.25	346.30	-0.36	-194.61
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=CC=C1	REAL300000348453	0	36	-2.0	-110.11	349.51	0.42	-109.69
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)=CC=C1	REAL300000348453	1	35	-3.0	-212.32	346.33	-0.37	-212.69
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CNC(=O)C1=CC=CO1	REAL300000348454	0	40	-2.0	-113.98	377.65	0.23	-113.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)CNC(=O)C1=CC=CO1	REAL300000348454	1	39	-3.0	-217.57	374.47	-0.56	-218.13
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C1	REAL300000348455	0	40	-2.0	-97.94	380.96	1.71	-96.23
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000348456	0	39	-2.0	-112.59	369.58	1.06	-111.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=C1C	REAL300000348457	0	42	-2.0	-111.48	381.90	1.71	-109.77
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=C1	REAL300000348458	0	36	-2.0	-106.19	354.98	0.48	-105.71
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)=C1	REAL300000348458	1	35	-3.0	-208.37	351.80	-0.30	-208.67
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C1	REAL300000348459	0	42	-2.0	-96.79	393.07	2.01	-94.78
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=C1	REAL300000348460	0	33	-2.0	-104.80	342.69	-0.56	-105.36
O=C(CNC(=O)C1=CC=CO1)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000348460	1	32	-3.0	-203.54	339.51	-1.34	-204.88
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CNC(=O)C1=CC=CO1	REAL300000348461	0	39	-2.0	-109.65	364.94	1.18	-108.47
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C1	REAL300000348462	0	40	-2.0	-96.73	380.58	0.70	-96.03
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)C=C1	REAL300000348462	1	39	-3.0	-191.70	377.39	-0.08	-191.78
CN1C=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000348463	0	37	-2.0	-108.99	356.16	-0.23	-109.22
CN1C=C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000348463	1	36	-3.0	-209.69	352.98	-1.01	-210.70
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CNC(=O)C1=CC=CO1	REAL300000348464	0	40	-2.0	-110.36	373.71	-0.78	-111.14
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)CNC(=O)C1=CC=CO1	REAL300000348464	1	39	-3.0	-210.09	370.53	-1.57	-211.66
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=C1	REAL300000348465	0	36	-2.0	-101.10	358.63	0.10	-101.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)=C1	REAL300000348465	1	35	-3.0	-198.42	355.44	-0.68	-199.10
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000348466	0	42	-2.0	-110.69	380.97	1.73	-108.96
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=CS1	REAL300000348467	0	33	-2.0	-106.21	341.16	-0.55	-106.76
O=C(CNC(=O)C1=CC=CO1)[N-][N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000348467	1	32	-3.0	-205.67	337.97	-1.34	-207.01
COC1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000348468	0	40	-2.0	-116.05	376.80	0.48	-115.57
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000348468	1	39	-3.0	-218.51	373.62	-0.30	-218.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CNC(=O)C1=CC=CO1	REAL300000348469	0	42	-2.0	-107.73	379.65	1.94	-105.79
CC1=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C(C(=O)[O-])O1	REAL300000348470	0	36	-2.0	-103.86	352.52	-0.44	-104.30
CC1=C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)C=C(C(=O)[O-])O1	REAL300000348470	1	35	-3.0	-199.51	349.33	-1.22	-200.73
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=C1	REAL300000348471	0	40	-2.0	-111.60	378.49	-0.49	-112.09
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)=C1	REAL300000348471	1	39	-3.0	-214.55	375.31	-1.27	-215.82
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CNC(=O)C1=CC=CO1	REAL300000348472	0	39	-2.0	-101.07	370.22	1.22	-99.85
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)CNC(=O)C1=CC=CO1	REAL300000348472	1	38	-3.0	-198.69	367.03	0.43	-198.26
CC1=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C(C(=O)[O-])S1	REAL300000348473	0	36	-2.0	-106.63	358.11	0.32	-106.31
CC1=C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)C=C(C(=O)[O-])S1	REAL300000348473	1	35	-3.0	-204.62	354.92	-0.48	-205.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C1F	REAL300000348474	0	36	-2.0	-98.44	354.03	0.46	-97.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)C=C1F	REAL300000348474	1	35	-3.0	-192.24	350.85	-0.33	-192.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)S1	REAL300000348475	0	33	-2.0	-99.94	341.78	-0.45	-100.39
O=C(CNC(=O)C1=CC=CO1)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000348475	1	32	-3.0	-196.34	338.60	-1.24	-197.58
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=CC(F)=C1	REAL300000348476	0	36	-2.0	-101.45	355.91	0.48	-100.97
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)=CC(F)=C1	REAL300000348476	1	35	-3.0	-200.89	352.73	-0.30	-201.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=C1F	REAL300000348477	0	39	-2.0	-107.55	375.26	1.12	-106.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)=C1F	REAL300000348477	1	38	-3.0	-210.64	372.08	0.34	-210.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C(F)=C1	REAL300000348478	0	36	-2.0	-97.88	354.97	0.49	-97.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)C(F)=C1	REAL300000348478	1	35	-3.0	-195.00	351.79	-0.29	-195.29
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=C1	REAL300000348479	0	37	-2.0	-107.96	359.23	-1.86	-109.82
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=C1	REAL300000348479	1	36	-3.0	-203.28	355.66	-0.98	-204.26
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)=C1	REAL300000348479	1	36	-3.0	-207.40	356.04	-2.64	-210.04
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C1	REAL300000348480	0	39	-2.0	-100.81	371.68	1.20	-99.61
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)C=C1	REAL300000348480	1	38	-3.0	-198.95	368.49	0.42	-198.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)CNC(=O)C1=CC=CO1	REAL300000348481	0	39	-2.0	-107.62	359.58	1.04	-106.58
CC1=CC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=CC(C(=O)[O-])=C1F	REAL300000348482	0	39	-2.0	-109.44	374.34	1.07	-108.37
CC1=CC(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)=CC(C(=O)[O-])=C1F	REAL300000348482	1	38	-3.0	-209.34	371.16	0.28	-209.06
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CNC(=O)C1=CC=CO1	REAL300000348483	0	39	-2.0	-98.64	364.92	1.17	-97.47
CC1=CC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=CC(C(=O)[O-])=C1C	REAL300000348484	0	42	-2.0	-114.48	386.31	1.59	-112.89
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C(C)=C1C(=O)[O-]	REAL300000348485	0	42	-2.0	-111.76	383.99	1.79	-109.97
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000348486	0	39	-2.0	-107.13	370.98	1.02	-106.11
CC1=CC(F)=C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000348486	1	38	-3.0	-210.60	367.80	0.23	-210.37
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=C1	REAL300000348487	0	39	-2.0	-115.96	374.52	1.11	-114.85
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)=C1	REAL300000348487	1	38	-3.0	-221.33	371.34	0.33	-221.00
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000348488	0	42	-2.0	-111.77	383.44	1.60	-110.17
CCN1C=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000348489	0	40	-2.0	-110.24	377.53	0.64	-109.60
CC1=CC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=CC=C1C(=O)[O-]	REAL300000348490	0	39	-2.0	-98.71	365.51	0.96	-97.75
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CNC(=O)C1=CC=CO1	REAL300000348491	0	39	-2.0	-107.48	369.46	1.22	-106.26
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)CNC(=O)C1=CC=CO1	REAL300000348491	1	38	-3.0	-204.76	366.28	0.43	-204.33
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=CC=C1	REAL300000348492	0	36	-2.0	-115.16	353.12	0.44	-114.72
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)=CC=C1	REAL300000348492	1	35	-3.0	-219.78	349.94	-0.34	-220.12
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000348493	0	39	-2.0	-103.27	374.44	1.09	-102.18
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000348493	1	38	-3.0	-204.10	371.26	0.31	-203.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=C1	REAL300000348494	0	35	-2.0	-107.58	345.73	-1.45	-109.03
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)=C1	REAL300000348494	1	34	-3.0	-210.16	342.54	-2.24	-212.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CNC(=O)C1=CC=CO1	REAL300000348495	0	40	-2.0	-102.33	377.71	0.23	-102.10
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)CNC(=O)C1=CC=CO1	REAL300000348495	1	39	-3.0	-200.63	374.53	-0.56	-201.19
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)=C(Cl)O1	REAL300000348496	0	32	-3.0	-193.18	346.47	-1.40	-194.58
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)=C(Cl)O1	REAL300000348496	1	33	-2.0	-98.41	349.66	-0.61	-99.02
CCC1=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CO2)C=C(C(=O)[O-])O1	REAL300000348497	0	39	-2.0	-103.56	371.64	0.34	-103.22
CCC1=C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CO2)C=C(C(=O)[O-])O1	REAL300000348497	1	38	-3.0	-199.47	368.45	-0.44	-199.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CS2)C=C1	REAL300000348498	0	36	-2.0	-97.28	357.41	1.42	-95.86
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CS2)=CC=C1	REAL300000348499	0	36	-2.0	-108.73	357.43	1.41	-107.32
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CS2)C=C1C(=O)[O-]	REAL300000348500	0	39	-2.0	-111.21	377.50	2.06	-109.15
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CS2)=C1	REAL300000348501	0	33	-2.0	-103.41	350.61	0.44	-102.97
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CS2)=C1	REAL300000348501	1	32	-3.0	-202.50	347.43	-0.35	-202.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CNC(=O)C1=CC=CS1	REAL300000348502	0	39	-2.0	-108.34	372.86	2.18	-106.16
CN1C=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CS2)C=C1C(=O)[O-]	REAL300000348503	0	37	-2.0	-107.55	364.08	0.77	-106.78
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CS2)=CS1	REAL300000348504	0	33	-2.0	-104.86	349.08	0.44	-104.42
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CS2)=CS1	REAL300000348504	1	32	-3.0	-204.64	345.90	-0.35	-204.99
CC1=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CS2)C=C(C(=O)[O-])O1	REAL300000348505	0	36	-2.0	-102.51	360.44	0.56	-101.95
CC1=C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CS2)C=C(C(=O)[O-])O1	REAL300000348505	1	35	-3.0	-198.59	357.25	-0.23	-198.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CS2)S1	REAL300000348506	0	33	-2.0	-98.60	349.70	0.54	-98.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CS2)S1	REAL300000348506	1	32	-3.0	-195.35	346.51	-0.24	-195.59
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CS2)=C1	REAL300000348507	0	37	-2.0	-106.63	367.14	-0.87	-107.50
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CS2)=C1	REAL300000348507	1	36	-3.0	-201.88	363.58	0.02	-201.86
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CS2)C=C1	REAL300000348508	0	39	-2.0	-99.47	379.60	2.20	-97.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)CNC(=O)C1=CC=CS1	REAL300000348509	0	39	-2.0	-106.12	367.50	2.04	-104.08
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CNC(=O)C1=CC=CS1	REAL300000348510	0	39	-2.0	-97.29	372.84	2.17	-95.12
CC1=CC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CS2)=CC=C1C(=O)[O-]	REAL300000348511	0	39	-2.0	-97.28	373.43	1.96	-95.32
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)CNC(=O)C2=CC=CS2)=C1	REAL300000348512	0	35	-2.0	-106.27	353.65	-0.45	-106.72
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)CNC(=O)C2=CC=CS2)=C1	REAL300000348512	1	34	-3.0	-209.20	350.46	-1.25	-210.45
CC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000348545	0	37	-2.0	-108.94	340.05	7.78	-101.16
CC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000348578	0	35	-2.0	-110.15	305.00	5.72	-104.43
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000348623	0	39	-2.0	-119.92	362.44	6.08	-113.84
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000348624	0	39	-2.0	-105.70	357.88	6.05	-99.65
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000348625	0	39	-2.0	-115.32	357.90	6.04	-109.28
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000348626	0	43	-2.0	-105.64	389.35	7.35	-98.29
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000348627	0	42	-2.0	-124.25	373.91	6.58	-117.67
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000348628	0	39	-2.0	-114.41	363.37	6.12	-108.29
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000348629	0	36	-2.0	-110.40	351.08	5.07	-105.33
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000348630	0	42	-2.0	-115.58	373.33	6.83	-108.75
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000348631	0	40	-2.0	-114.10	364.54	5.40	-108.70
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000348632	0	39	-2.0	-110.31	367.01	5.73	-104.58
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000348633	0	36	-2.0	-117.42	349.54	5.09	-112.33
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000348634	0	39	-2.0	-109.17	360.90	5.20	-103.97
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000348635	0	39	-2.0	-112.27	366.52	5.94	-106.33
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000348636	0	39	-2.0	-105.68	362.43	6.10	-99.58
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000348637	0	36	-2.0	-108.80	350.16	5.18	-103.62
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000348638	0	39	-2.0	-112.53	364.31	6.11	-106.42
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000348639	0	39	-2.0	-106.19	363.36	6.13	-100.06
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000348640	0	40	-2.0	-114.67	367.61	3.76	-110.91
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000348641	0	42	-2.0	-109.99	380.07	6.83	-103.16
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000348642	0	42	-2.0	-117.70	367.93	6.68	-111.02
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000348643	1	42	-2.0	-104.49	373.31	6.82	-97.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(C)=CNC2=O)C=C1C(=O)[O-]	REAL300000348644	0	43	-2.0	-121.31	385.91	6.27	-115.04
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000348645	0	42	-2.0	-105.58	373.90	6.59	-98.99
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000348646	0	39	-2.0	-127.17	361.55	6.08	-121.09
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000348647	0	38	-2.0	-115.27	354.88	4.11	-111.16
CC1=CNC(=O)N1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000348648	0	36	-2.0	-104.47	358.00	5.02	-99.45
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(C)=CNC2=O)C=C(C(=O)[O-])O1	REAL300000348649	0	42	-2.0	-107.81	379.71	6.00	-101.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC3=CC=NC=C3)=C2)C=C1	REAL300000348650	1	41	-2.0	-101.26	372.56	5.27	-95.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC3=CC=NC=C3)=C2)=C1	REAL300000348651	1	41	-2.0	-113.61	372.59	5.26	-108.35
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC3=CC=NC=C3)=C2)=C1	REAL300000348652	0	40	-2.0	-109.31	369.57	3.32	-105.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=CC=C1F	REAL300000348653	0	37	-2.0	-106.72	352.51	4.84	-101.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1	REAL300000348654	0	37	-2.0	-97.04	347.96	4.81	-92.23
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1	REAL300000348655	0	37	-2.0	-109.02	347.99	4.80	-104.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=NC=C2)N=C1	REAL300000348656	0	41	-2.0	-115.09	376.12	4.61	-110.48
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1	REAL300000348657	0	41	-2.0	-96.75	379.43	6.11	-90.64
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1C(=O)[O-]	REAL300000348658	0	40	-2.0	-111.36	368.05	5.46	-105.90
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1	REAL300000348659	0	37	-2.0	-105.31	361.05	5.37	-99.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=CC=C1Cl	REAL300000348660	0	37	-2.0	-104.99	360.48	5.20	-99.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1C	REAL300000348661	0	43	-2.0	-112.72	380.37	6.12	-106.60
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1	REAL300000348662	0	37	-2.0	-106.70	353.46	4.86	-101.84
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1	REAL300000348663	0	43	-2.0	-96.09	391.55	6.39	-89.70
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1	REAL300000348664	0	34	-2.0	-103.51	341.16	3.84	-99.67
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=NC=C2)N=C1	REAL300000348665	0	40	-2.0	-110.84	363.40	5.59	-105.25
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1	REAL300000348666	0	41	-2.0	-95.37	379.05	5.09	-90.28
CN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1C(=O)[O-]	REAL300000348667	0	38	-2.0	-107.49	354.62	4.17	-103.32
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=NC=C2)N=C1	REAL300000348668	0	41	-2.0	-111.31	372.19	3.62	-107.69
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1	REAL300000348669	0	37	-2.0	-99.78	357.09	4.49	-95.29
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1C(=O)[O-]	REAL300000348670	0	43	-2.0	-112.29	379.04	6.15	-106.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=CS1	REAL300000348671	0	34	-2.0	-104.81	339.64	3.84	-100.97
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1C(=O)[O-]	REAL300000348672	0	41	-2.0	-114.91	375.25	4.88	-110.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=NC=C2)N=C1	REAL300000348673	0	43	-2.0	-109.39	378.13	6.52	-102.87
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1	REAL300000348674	0	44	-2.0	-114.93	392.23	6.71	-108.22
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000348675	0	37	-2.0	-103.80	350.98	3.96	-99.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1	REAL300000348676	0	41	-2.0	-110.21	376.97	3.90	-106.31
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=NC=C2)N=C1	REAL300000348677	0	40	-2.0	-101.38	368.68	5.63	-95.75
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000348678	0	37	-2.0	-107.06	357.67	4.70	-102.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C(Cl)=C1	REAL300000348679	0	37	-2.0	-94.61	361.02	5.37	-89.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1F	REAL300000348680	0	37	-2.0	-96.59	352.50	4.85	-91.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)S1	REAL300000348681	0	34	-2.0	-98.63	340.25	3.93	-94.70
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1	REAL300000348682	0	37	-2.0	-100.06	354.38	4.88	-95.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1F	REAL300000348683	0	40	-2.0	-108.06	373.75	5.51	-102.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C(F)=C1	REAL300000348684	0	37	-2.0	-96.24	353.44	4.88	-91.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1Cl	REAL300000348685	0	37	-2.0	-94.64	360.47	5.21	-89.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=CC(F)=C1F	REAL300000348686	0	37	-2.0	-98.64	358.80	4.90	-93.74
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1	REAL300000348687	0	38	-2.0	-110.07	357.69	2.53	-107.54
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1	REAL300000348688	0	40	-2.0	-100.82	370.15	5.59	-95.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=NC=C2)N=C1	REAL300000348689	0	40	-2.0	-104.90	358.05	5.43	-99.47
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000348690	0	40	-2.0	-108.04	372.81	5.46	-102.58
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=NC=C2)N=C1	REAL300000348691	0	40	-2.0	-97.51	363.39	5.58	-91.93
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000348692	0	43	-2.0	-113.66	384.78	5.98	-107.68
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1	REAL300000348693	0	37	-2.0	-98.36	359.73	4.93	-93.43
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000348694	0	43	-2.0	-109.28	381.36	6.22	-103.06
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1C(=O)[O-]	REAL300000348695	0	40	-2.0	-109.00	373.29	5.50	-103.50
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1	REAL300000348696	0	40	-2.0	-113.24	373.00	5.50	-107.74
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1C(=O)[O-]	REAL300000348697	0	43	-2.0	-110.75	381.91	6.00	-104.75
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1C(=O)[O-]	REAL300000348698	0	41	-2.0	-108.82	376.00	5.03	-103.79
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000348699	0	40	-2.0	-97.12	363.98	5.36	-91.76
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=NC=C2)N=C1	REAL300000348700	0	40	-2.0	-108.36	367.94	5.61	-102.75
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1F	REAL300000348701	0	37	-2.0	-112.41	351.64	4.84	-107.57
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C1C(=O)[O-]	REAL300000348702	0	40	-2.0	-102.01	372.93	5.48	-96.53
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C1	REAL300000348703	0	36	-2.0	-106.68	344.20	2.94	-103.74
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=NC=C2)N=C1	REAL300000348704	0	41	-2.0	-101.20	376.18	4.61	-96.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)=C(Cl)O1	REAL300000348705	0	34	-2.0	-97.54	348.13	3.79	-93.75
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(CC4=CC=NC=C4)N=C3)C=C2)CC1	REAL300000348706	0	44	-2.0	-103.70	394.11	6.69	-97.01
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(CC4=CC=NC=C4)N=C3)C=C2C1	REAL300000348707	0	44	-2.0	-105.80	393.42	6.69	-99.11
CCC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=NC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000348708	0	40	-2.0	-103.85	370.11	4.81	-99.04
COC1=CC=C(Br)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000348711	1	29	-2.0	-103.80	308.67	4.03	-99.77
COC1=CC=C(Br)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000348715	1	29	-2.0	-98.60	307.75	4.13	-94.47
COC1=CC=C(Br)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000348716	0	31	-2.0	-106.60	312.46	3.05	-103.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=CC=C1F	REAL300000348717	1	31	-2.0	-98.61	318.04	6.39	-92.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C1	REAL300000348718	1	31	-2.0	-88.99	313.49	6.37	-82.62
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C1	REAL300000348719	1	31	-2.0	-100.75	313.50	6.36	-94.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(F)F)=C1	REAL300000348720	0	35	-2.0	-105.27	338.36	6.07	-99.20
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C1	REAL300000348721	1	35	-2.0	-88.75	344.96	7.65	-81.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000348722	1	34	-2.0	-103.21	333.57	7.00	-96.21
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C1	REAL300000348723	0	31	-2.0	-95.92	323.29	6.85	-89.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=CC=C1Cl	REAL300000348724	1	31	-2.0	-96.80	326.01	6.75	-90.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C1C	REAL300000348725	1	37	-2.0	-103.16	345.90	7.67	-95.49
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C1	REAL300000348726	0	31	-2.0	-97.32	315.70	6.34	-90.98
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C1	REAL300000348727	1	37	-2.0	-87.69	357.07	7.95	-79.74
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C1	REAL300000348728	0	28	-2.0	-95.39	306.69	5.37	-90.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(F)F)=C1	REAL300000348729	1	34	-2.0	-100.98	325.65	7.06	-93.92
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000348731	0	32	-2.0	-98.67	316.86	5.62	-93.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C1	REAL300000348733	0	31	-2.0	-91.59	319.34	5.96	-85.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=CS1	REAL300000348735	0	28	-2.0	-96.91	301.87	5.31	-91.60
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(F)F)=C1	REAL300000348737	1	37	-2.0	-99.54	340.37	7.99	-91.55
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000348738	0	31	-2.0	-94.90	316.51	5.49	-89.41
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C1	REAL300000348739	0	35	-2.0	-102.08	342.49	5.44	-96.64
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(F)F)=C1	REAL300000348740	1	34	-2.0	-92.26	334.21	7.17	-85.09
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000348741	1	31	-2.0	-98.05	322.10	6.25	-91.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C(Cl)=C1	REAL300000348742	0	31	-2.0	-86.69	326.55	6.92	-79.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C1F	REAL300000348743	1	31	-2.0	-88.68	318.02	6.40	-82.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)S1	REAL300000348744	0	28	-2.0	-90.46	305.77	5.49	-84.97
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C1	REAL300000348745	1	31	-2.0	-91.27	316.63	6.34	-84.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C1F	REAL300000348746	0	34	-2.0	-98.91	339.26	7.06	-91.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C(F)=C1	REAL300000348747	0	31	-2.0	-88.37	318.97	6.43	-81.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C1Cl	REAL300000348748	1	31	-2.0	-86.64	325.99	6.76	-79.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=CC(F)=C1F	REAL300000348749	1	31	-2.0	-89.78	321.06	6.37	-83.41
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C1	REAL300000348750	0	32	-2.0	-99.99	319.94	3.99	-96.00
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(Cl)C(C(F)F)=C2)=C1	REAL300000348750	1	32	-2.0	-99.37	312.22	4.96	-94.41
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C1	REAL300000348751	1	34	-2.0	-91.98	335.67	7.14	-84.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(F)F)=C1	REAL300000348752	1	34	-2.0	-97.34	320.29	6.91	-90.43
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000348753	1	34	-2.0	-99.06	335.06	6.93	-92.13
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000348755	1	37	-2.0	-105.27	347.02	7.44	-97.83
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C1	REAL300000348756	0	31	-2.0	-89.59	325.26	6.48	-83.11
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000348758	0	34	-2.0	-98.33	331.70	6.88	-91.45
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C1	REAL300000348759	0	34	-2.0	-105.99	338.52	7.05	-98.94
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000348760	1	37	-2.0	-102.52	347.73	7.54	-94.98
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000348761	0	35	-2.0	-100.71	338.25	6.49	-94.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000348762	1	34	-2.0	-89.04	329.51	6.90	-82.14
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C1F	REAL300000348764	0	31	-2.0	-105.10	313.84	6.30	-98.80
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000348765	1	34	-2.0	-92.95	335.17	6.95	-86.00
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C1	REAL300000348766	0	30	-2.0	-98.42	309.73	4.49	-93.93
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(F)F)=C1	REAL300000348767	0	35	-2.0	-92.96	341.71	6.15	-86.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)=C(Cl)O1	REAL300000348768	0	28	-2.0	-89.05	313.65	5.34	-83.71
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000348769	0	34	-2.0	-94.76	335.64	6.34	-88.42
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000348770	1	45	-2.0	-90.74	399.08	4.29	-86.45
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000348771	1	38	-2.0	-107.64	347.14	5.73	-101.91
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000348772	0	46	-2.0	-107.96	402.22	6.79	-101.17
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000348773	1	38	-2.0	-97.17	342.60	5.71	-91.46
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000348774	1	38	-2.0	-109.49	342.60	5.70	-103.79
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000348775	0	42	-2.0	-115.02	370.74	5.49	-109.53
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000348776	1	42	-2.0	-96.77	374.07	7.00	-89.77
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000348777	1	41	-2.0	-111.60	358.61	6.24	-105.36
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000348778	0	38	-2.0	-105.03	355.67	6.28	-98.75
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000348779	1	38	-2.0	-106.06	355.11	6.10	-99.96
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000348780	1	44	-2.0	-112.29	375.28	7.05	-105.24
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000348781	0	38	-2.0	-106.83	348.08	5.77	-101.06
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000348782	1	44	-2.0	-95.95	386.18	7.28	-88.67
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000348783	0	35	-2.0	-103.71	335.78	4.72	-98.99
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000348784	1	41	-2.0	-110.19	358.03	6.49	-103.70
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000348786	0	39	-2.0	-107.92	349.25	5.05	-102.87
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000348788	0	38	-2.0	-100.24	351.71	5.38	-94.86
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000348790	0	35	-2.0	-105.18	334.25	4.74	-100.44
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000348791	1	46	-2.0	-110.53	400.94	5.51	-105.02
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000348793	1	48	-2.0	-114.12	397.84	8.33	-105.79
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000348794	1	47	-2.0	-112.47	396.50	7.70	-104.77
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000348795	1	44	-2.0	-108.39	372.77	7.42	-100.97
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000348796	0	45	-2.0	-114.78	393.03	6.26	-108.52
CCOCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000348797	0	41	-2.0	-109.11	377.72	6.13	-102.98
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000348797	1	40	-3.0	-185.53	371.01	6.27	-179.26
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000348798	1	45	-2.0	-114.50	386.86	7.61	-106.89
CCOCC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000348799	0	38	-2.0	-103.05	345.61	4.84	-98.21
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000348800	1	44	-2.0	-114.29	384.77	5.48	-108.81
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000348801	0	42	-2.0	-111.38	371.58	4.79	-106.59
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000348803	0	38	-2.0	-101.50	360.20	6.30	-95.20
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000348804	1	42	-2.0	-93.87	389.71	6.52	-87.35
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000348806	1	41	-2.0	-100.64	363.31	6.52	-94.12
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000348807	1	42	-2.0	-94.79	379.90	6.04	-88.75
CCOCC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000348809	1	38	-2.0	-106.53	351.20	5.59	-100.94
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000348810	0	38	-2.0	-94.66	355.65	6.26	-88.40
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000348811	1	38	-2.0	-96.43	347.12	5.74	-90.69
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000348812	0	35	-2.0	-98.94	334.87	4.83	-94.11
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000348813	1	38	-2.0	-100.29	349.01	5.76	-94.53
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000348814	0	41	-2.0	-108.28	368.36	6.40	-101.88
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000348815	0	42	-2.0	-99.35	382.91	6.32	-93.03
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000348816	0	38	-2.0	-96.80	348.06	5.77	-91.03
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000348817	1	38	-2.0	-94.58	355.09	6.11	-88.47
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000348818	1	41	-2.0	-102.35	372.04	6.90	-95.45
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000348819	1	46	-2.0	-93.51	406.34	7.12	-86.39
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000348820	1	38	-2.0	-98.27	353.43	5.80	-92.47
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000348821	0	40	-2.0	-94.37	370.79	6.36	-88.01
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000348822	0	39	-2.0	-108.95	352.31	3.41	-105.54
CCOCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000348822	1	39	-2.0	-105.62	351.40	4.29	-101.33
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000348823	1	41	-2.0	-100.73	364.79	6.48	-94.25
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000348824	1	38	-2.0	-99.74	363.31	6.23	-93.51
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000348825	1	41	-2.0	-106.55	352.66	6.33	-100.22
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000348826	1	41	-2.0	-108.17	367.45	6.36	-101.81
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000348828	1	44	-2.0	-113.54	375.49	6.77	-106.77
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000348829	0	40	-2.0	-107.34	369.17	6.79	-100.55
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000348830	0	38	-2.0	-98.42	354.36	5.83	-92.59
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000348832	0	41	-2.0	-109.17	367.92	6.39	-102.78
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000348833	0	41	-2.0	-106.76	374.36	6.83	-99.93
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000348834	0	41	-2.0	-115.61	367.63	6.40	-109.21
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000348835	1	44	-2.0	-112.37	376.88	6.88	-105.49
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000348837	1	41	-2.0	-99.59	368.86	6.88	-92.71
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000348838	1	41	-2.0	-107.87	373.82	6.66	-101.21
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000348839	0	42	-2.0	-109.22	370.62	5.93	-103.29
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000348841	1	41	-2.0	-104.70	376.34	6.77	-97.93
CCOCC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000348842	0	47	-2.0	-106.09	392.04	7.84	-98.25
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000348843	0	42	-2.0	-110.49	382.93	6.33	-104.16
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000348844	1	41	-2.0	-97.28	358.60	6.25	-91.03
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000348845	0	43	-2.0	-102.94	385.86	7.90	-95.04
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000348847	0	40	-2.0	-118.11	366.32	7.56	-110.55
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000348848	0	38	-2.0	-114.78	346.26	5.74	-109.04
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000348849	1	41	-2.0	-102.85	367.54	6.38	-96.47
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000348850	1	44	-2.0	-118.86	383.64	7.82	-111.04
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000348851	0	37	-2.0	-107.46	338.82	3.84	-103.62
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000348852	0	42	-2.0	-101.47	370.79	5.51	-95.96
CCOCC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000348853	0	35	-2.0	-97.05	342.75	4.70	-92.35
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000348854	1	45	-2.0	-103.58	388.72	7.58	-96.00
CCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000348855	1	45	-2.0	-107.52	388.06	7.58	-99.94
CCOCC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000348856	0	41	-2.0	-102.83	364.73	5.69	-97.14
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000348859	1	42	-2.0	-124.10	358.82	6.62	-117.48
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C21	REAL300000348861	0	42	-2.0	-122.15	364.30	6.70	-115.45
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000348862	0	39	-2.0	-117.87	352.00	5.65	-112.22
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C21	REAL300000348863	1	45	-2.0	-125.72	373.83	7.39	-118.33
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000348864	1	43	-2.0	-122.18	365.06	5.94	-116.24
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC=C21	REAL300000348865	0	42	-2.0	-113.92	366.42	6.25	-107.67
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000348866	0	39	-2.0	-119.36	349.20	5.62	-113.74
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C21	REAL300000348867	0	42	-2.0	-117.62	361.88	5.78	-111.84
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C21	REAL300000348868	1	42	-2.0	-121.66	367.00	6.49	-115.17
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000348869	1	42	-2.0	-109.79	362.94	6.64	-103.15
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000348870	0	39	-2.0	-112.81	351.09	5.77	-107.04
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000348871	1	42	-2.0	-114.18	363.73	6.63	-107.55
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300000348872	0	42	-2.0	-110.21	362.76	6.63	-103.58
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C21	REAL300000348873	0	43	-2.0	-124.71	367.02	4.28	-120.43
CC(=O)N1CCCC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C21	REAL300000348873	1	43	-2.0	-120.29	357.12	5.20	-115.09
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C21	REAL300000348874	1	45	-2.0	-115.34	380.60	7.37	-107.97
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C21	REAL300000348875	1	45	-2.0	-120.23	367.72	7.13	-113.10
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCN3C(C)=O)C=C1C(=O)[O-]	REAL300000348877	1	46	-2.0	-123.55	386.43	6.81	-116.74
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000348879	0	42	-2.0	-128.10	360.92	6.60	-121.50
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000348880	0	41	-2.0	-121.87	355.04	4.75	-117.12
CC(=O)N1CCCC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C21	REAL300000348881	0	39	-2.0	-111.19	358.98	5.62	-105.57
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCN3C(C)=O)C=C(C(=O)[O-])O1	REAL300000348882	0	45	-2.0	-117.69	380.96	6.62	-111.07
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC3(CCCC3)C3=C(F)C=CC=C32)=C1	REAL300000348899	0	43	-2.0	-105.63	358.81	7.89	-97.74
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1F	REAL300000348914	0	39	-2.0	-92.18	360.95	0.47	-91.71
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000348915	1	32	-2.0	-107.63	309.02	1.91	-105.72
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(F)=C1	REAL300000348916	0	40	-2.0	-101.24	364.09	2.98	-98.26
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000348917	1	32	-2.0	-97.89	304.47	1.89	-96.00
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000348918	1	32	-2.0	-109.96	304.48	1.88	-108.08
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(F)=C1	REAL300000348919	0	36	-2.0	-106.89	332.61	1.69	-105.20
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000348920	1	36	-2.0	-97.99	335.94	3.18	-94.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000348921	1	35	-2.0	-112.20	324.55	2.53	-109.67
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1F	REAL300000348922	0	32	-2.0	-106.79	317.55	2.45	-104.34
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000348923	1	32	-2.0	-105.90	316.98	2.27	-103.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)=C1C	REAL300000348924	1	38	-2.0	-104.87	337.14	3.23	-101.64
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000348925	0	32	-2.0	-108.07	309.96	1.94	-106.13
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000348926	1	38	-2.0	-90.27	348.03	3.47	-86.80
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000348927	0	29	-2.0	-97.52	297.65	0.90	-96.62
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(F)=C1	REAL300000348928	1	35	-2.0	-102.93	319.90	2.68	-100.25
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1F	REAL300000348929	1	36	-2.0	-96.65	335.56	2.17	-94.48
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000348930	0	33	-2.0	-108.24	311.13	1.25	-106.99
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(F)=C1	REAL300000348931	1	36	-2.0	-112.76	328.69	0.70	-112.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)=C1	REAL300000348932	0	32	-2.0	-93.97	313.59	1.58	-92.39
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000348933	1	38	-2.0	-104.25	335.54	3.23	-101.02
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000348934	0	29	-2.0	-105.72	296.13	0.92	-104.80
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000348935	1	40	-2.0	-110.28	362.79	1.69	-108.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000348936	1	36	-2.0	-115.74	331.76	1.95	-113.79
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1F	REAL300000348937	1	42	-2.0	-116.11	359.74	4.49	-111.62
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(F)=C1	REAL300000348938	1	41	-2.0	-104.74	358.37	3.89	-100.85
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(F)=C1	REAL300000348939	1	38	-2.0	-111.45	334.63	3.62	-107.83
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(F)=C1	REAL300000348940	0	39	-2.0	-108.07	354.90	2.45	-105.62
NC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000348941	0	35	-2.0	-110.97	339.56	2.32	-108.65
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000348941	1	34	-3.0	-182.97	332.89	2.45	-180.52
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1F	REAL300000348942	1	39	-2.0	-106.56	348.73	3.78	-102.78
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000348943	0	32	-2.0	-105.10	307.49	1.03	-104.07
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1F	REAL300000348944	1	38	-2.0	-114.50	346.65	1.65	-112.85
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)=C1	REAL300000348945	0	36	-2.0	-104.30	333.45	0.97	-103.33
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1F	REAL300000348946	1	40	-2.0	-97.04	357.40	2.48	-94.56
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1F	REAL300000348947	0	32	-2.0	-103.64	322.08	2.47	-101.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)=CC=C1OCC(=O)[O-]	REAL300000348948	1	39	-2.0	-97.01	355.62	2.87	-94.14
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(F)=C1	REAL300000348949	0	35	-2.0	-94.33	325.17	2.71	-91.62
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1F	REAL300000348950	1	36	-2.0	-96.20	341.77	2.23	-93.97
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000348951	1	39	-2.0	-116.31	353.61	2.86	-113.45
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000348952	0	32	-2.0	-108.80	313.08	1.78	-107.02
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1F	REAL300000348953	0	32	-2.0	-89.47	317.52	2.44	-87.03
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000348954	1	32	-2.0	-97.49	308.99	1.92	-95.57
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000348955	0	29	-2.0	-99.29	296.75	1.01	-98.28
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000348956	0	32	-2.0	-94.17	310.87	1.95	-92.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)=C1F	REAL300000348957	0	35	-2.0	-100.40	330.24	2.58	-97.82
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000348958	0	32	-2.0	-90.95	309.93	1.95	-89.00
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000348959	1	32	-2.0	-95.47	316.98	2.28	-93.19
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(F)=C1	REAL300000348960	1	35	-2.0	-95.76	333.91	3.09	-92.67
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1F	REAL300000348961	0	40	-2.0	-95.08	368.22	3.29	-91.79
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000348962	0	32	-2.0	-99.25	315.30	1.97	-97.28
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1F	REAL300000348963	0	34	-2.0	-95.26	332.67	2.55	-92.71
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000348964	0	33	-2.0	-111.91	314.19	-0.41	-112.32
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000348965	1	35	-2.0	-93.97	326.63	2.66	-91.31
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000348966	1	32	-2.0	-100.61	325.19	2.41	-98.20
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(F)=C1	REAL300000348967	1	35	-2.0	-105.25	314.55	2.52	-102.73
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)=CC(C(=O)[O-])=C1F	REAL300000348968	1	35	-2.0	-108.80	329.33	2.53	-106.27
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(F)=C1	REAL300000348969	1	35	-2.0	-91.92	319.88	2.66	-89.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)=CC(C(=O)[O-])=C1C	REAL300000348970	1	38	-2.0	-112.81	337.37	2.96	-109.85
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300000348971	0	34	-2.0	-108.73	331.04	2.97	-105.76
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1F	REAL300000348972	0	32	-2.0	-91.52	316.22	2.01	-89.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000348973	1	38	-2.0	-104.15	338.95	3.28	-100.87
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000348974	0	35	-2.0	-101.24	329.78	2.58	-98.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)=C1Cl	REAL300000348975	0	35	-2.0	-99.53	336.21	3.02	-96.51
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)=C1	REAL300000348976	0	35	-2.0	-108.13	329.50	2.57	-105.56
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000348977	1	38	-2.0	-111.61	338.72	3.08	-108.53
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C=C1CC(=O)[O-]	REAL300000348978	1	39	-2.0	-112.72	354.94	2.01	-110.71
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(F)=C1	REAL300000348979	1	35	-2.0	-93.41	330.73	3.06	-90.35
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000348980	1	35	-2.0	-107.49	335.72	2.84	-104.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000348981	0	36	-2.0	-109.45	332.51	2.10	-107.35
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C(C)=C1CC(=O)[O-]	REAL300000348982	1	44	-2.0	-110.16	369.39	4.73	-105.43
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000348983	1	35	-2.0	-104.26	338.22	2.96	-101.30
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000348984	1	35	-2.0	-97.89	320.48	2.43	-95.46
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1F	REAL300000348985	0	37	-2.0	-96.94	347.73	4.08	-92.86
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(F)=C1	REAL300000348986	1	35	-2.0	-101.22	324.00	2.72	-98.50
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1F	REAL300000348987	0	34	-2.0	-110.92	328.20	3.75	-107.17
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000348988	0	32	-2.0	-107.57	308.13	1.91	-105.66
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000348989	1	35	-2.0	-102.49	329.42	2.56	-99.93
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1F	REAL300000348990	1	38	-2.0	-117.89	345.52	4.01	-113.88
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000348991	0	31	-2.0	-98.83	301.45	-0.06	-98.89
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(F)=C1	REAL300000348992	0	36	-2.0	-95.28	332.67	1.68	-93.60
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000348993	0	29	-2.0	-98.38	304.63	0.87	-97.51
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1F	REAL300000348994	1	39	-2.0	-97.40	350.59	3.77	-93.63
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1F	REAL300000348995	1	39	-2.0	-101.56	349.91	3.77	-97.79
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000348996	0	35	-2.0	-105.27	326.61	1.88	-103.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=CC=C1F	REAL300000348997	1	41	-2.0	-103.57	363.47	4.85	-98.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1	REAL300000348998	1	41	-2.0	-93.67	358.63	4.86	-88.81
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C1	REAL300000348999	0	41	-2.0	-105.87	358.93	4.82	-101.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)N=C1	REAL300000349000	0	45	-2.0	-111.77	387.07	4.62	-107.15
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1	REAL300000349001	1	45	-2.0	-93.54	390.38	6.13	-87.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000349002	1	44	-2.0	-107.03	374.66	5.39	-101.64
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C1	REAL300000349003	0	41	-2.0	-102.10	372.00	5.40	-96.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=CC=C1Cl	REAL300000349004	0	41	-2.0	-101.85	371.44	5.22	-96.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C1C	REAL300000349005	1	47	-2.0	-109.39	391.33	6.13	-103.26
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C1	REAL300000349006	0	41	-2.0	-103.38	364.41	4.88	-98.50
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1	REAL300000349007	0	47	-2.0	-92.93	402.49	6.40	-86.53
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C1	REAL300000349008	0	38	-2.0	-100.15	352.12	3.85	-96.30
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)N=C1	REAL300000349009	1	44	-2.0	-107.68	374.08	5.63	-102.05
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1	REAL300000349010	1	45	-2.0	-92.17	390.00	5.10	-87.07
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000349011	0	42	-2.0	-104.28	365.29	4.21	-100.07
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)N=C1	REAL300000349012	1	45	-2.0	-108.10	382.85	3.66	-104.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C1	REAL300000349013	0	41	-2.0	-96.44	367.75	4.54	-91.90
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000349014	1	47	-2.0	-108.83	390.10	6.17	-102.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=CS1	REAL300000349015	0	38	-2.0	-101.83	350.29	3.89	-97.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000349016	1	45	-2.0	-111.79	385.93	4.92	-106.87
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)N=C1	REAL300000349017	1	47	-2.0	-106.29	389.06	6.55	-99.74
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000349018	0	41	-2.0	-100.32	361.94	3.97	-96.35
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C1	REAL300000349019	0	45	-2.0	-106.97	387.92	3.91	-103.06
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)N=C1	REAL300000349020	0	44	-2.0	-98.14	379.35	5.67	-92.47
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C(C(=O)[O-])S1	REAL300000349021	0	41	-2.0	-103.83	368.34	4.74	-99.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C(Cl)=C1	REAL300000349022	0	41	-2.0	-91.37	371.70	5.41	-85.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1F	REAL300000349023	0	41	-2.0	-93.21	363.16	4.89	-88.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)S1	REAL300000349024	0	38	-2.0	-95.21	351.20	3.94	-91.27
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C1	REAL300000349025	0	41	-2.0	-96.77	365.05	4.92	-91.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C1F	REAL300000349026	0	44	-2.0	-104.72	384.68	5.52	-99.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C(F)=C1	REAL300000349027	0	41	-2.0	-92.84	364.09	4.92	-87.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1Cl	REAL300000349028	1	41	-2.0	-91.26	371.13	5.26	-86.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=CC(F)=C1F	REAL300000349029	0	41	-2.0	-95.21	369.46	4.95	-90.26
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C1	REAL300000349030	0	42	-2.0	-106.79	368.35	2.57	-104.22
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1	REAL300000349031	0	44	-2.0	-97.44	381.10	5.60	-91.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)N=C1	REAL300000349032	1	44	-2.0	-101.88	368.68	5.48	-96.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000349033	1	44	-2.0	-104.79	383.48	5.50	-99.29
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)N=C1	REAL300000349034	1	44	-2.0	-94.23	374.05	5.63	-88.60
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000349035	1	47	-2.0	-110.21	395.73	5.98	-104.23
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C1	REAL300000349036	0	41	-2.0	-94.98	370.69	4.95	-90.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000349037	1	47	-2.0	-106.24	392.03	6.26	-99.98
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000349038	0	44	-2.0	-104.48	380.41	5.42	-99.06
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C1	REAL300000349039	0	44	-2.0	-110.04	383.95	5.52	-104.52
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000349040	1	47	-2.0	-107.83	392.61	6.04	-101.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000349041	0	45	-2.0	-105.61	386.66	5.06	-100.55
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000349042	1	44	-2.0	-93.71	374.64	5.40	-88.31
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)N=C1	REAL300000349043	1	44	-2.0	-105.19	378.60	5.67	-99.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C1F	REAL300000349044	0	41	-2.0	-109.47	362.30	4.88	-104.59
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000349045	0	44	-2.0	-98.60	383.58	5.53	-93.07
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C1	REAL300000349046	0	40	-2.0	-103.32	355.15	2.95	-100.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)N=C1	REAL300000349047	0	45	-2.0	-97.82	386.84	4.65	-93.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)=C(Cl)O1	REAL300000349048	0	38	-2.0	-93.98	359.08	3.80	-90.18
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000349049	0	44	-2.0	-100.36	381.06	4.82	-95.54
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1N1CCSCC1	REAL300000349052	0	41	-2.0	-100.87	377.49	6.57	-94.30
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1N1CCSCC1	REAL300000349053	1	45	-2.0	-105.03	390.96	6.89	-98.14
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1N1CCSCC1	REAL300000349054	1	41	-2.0	-102.30	375.96	6.58	-95.72
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000349055	0	44	-2.0	-100.65	387.32	6.68	-93.97
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1N1CCSCC1	REAL300000349056	0	41	-2.0	-95.72	376.58	6.67	-89.05
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1N1CCSCC1	REAL300000349057	0	43	-2.0	-104.35	380.54	5.68	-98.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=CC=C1F	REAL300000349058	1	33	-2.0	-107.27	320.41	3.63	-103.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1	REAL300000349059	1	33	-2.0	-97.37	315.87	3.60	-93.77
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349060	1	33	-2.0	-109.72	315.89	3.59	-106.13
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=N2)C=C1	REAL300000349061	0	37	-2.0	-115.08	344.02	3.39	-111.69
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1	REAL300000349062	1	37	-2.0	-97.08	347.34	4.90	-92.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1C(=O)[O-]	REAL300000349063	1	36	-2.0	-112.15	335.97	4.25	-107.90
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349064	0	33	-2.0	-106.33	328.95	4.17	-102.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=CC=C1Cl	REAL300000349065	1	33	-2.0	-105.60	328.39	4.00	-101.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1C	REAL300000349066	1	39	-2.0	-113.53	348.27	4.90	-108.63
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349067	0	33	-2.0	-107.72	321.36	3.66	-104.06
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1	REAL300000349068	1	39	-2.0	-96.46	359.46	5.18	-91.28
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349069	0	30	-2.0	-104.64	309.06	2.62	-102.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=N2)C=C1	REAL300000349070	1	36	-2.0	-111.76	331.31	4.38	-107.38
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1	REAL300000349071	1	37	-2.0	-95.76	346.96	3.88	-91.88
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1C(=O)[O-]	REAL300000349072	0	34	-2.0	-108.09	322.53	2.96	-105.13
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=N2)C=C1	REAL300000349073	1	37	-2.0	-112.11	340.08	2.42	-109.69
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349074	0	33	-2.0	-100.14	325.00	3.28	-96.86
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1C(=O)[O-]	REAL300000349075	1	39	-2.0	-111.96	347.34	4.92	-107.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=CS1	REAL300000349076	0	30	-2.0	-105.49	307.53	2.64	-102.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1C(=O)[O-]	REAL300000349077	1	37	-2.0	-115.57	343.17	3.66	-111.91
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349078	1	43	-2.0	-114.37	371.11	6.22	-108.15
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=N2)C=C1	REAL300000349079	1	42	-2.0	-112.90	369.78	5.61	-107.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=N2)C=C1	REAL300000349080	1	39	-2.0	-110.30	346.03	5.33	-104.97
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=N2)C=C1	REAL300000349081	0	40	-2.0	-115.66	366.31	4.16	-111.50
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349082	0	36	-2.0	-114.96	350.99	4.03	-110.93
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349082	1	35	-3.0	-184.61	344.28	4.16	-180.45
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349083	1	40	-2.0	-114.72	360.13	5.50	-109.22
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000349084	0	33	-2.0	-103.79	318.91	2.75	-101.04
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349085	0	37	-2.0	-111.41	344.84	2.68	-108.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C(Cl)C=C1F	REAL300000349086	0	33	-2.0	-102.99	333.47	4.19	-98.80
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=CC=C1OCC(=O)[O-]	REAL300000349087	1	40	-2.0	-96.20	367.04	4.58	-91.62
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=N2)C=C1	REAL300000349088	1	36	-2.0	-102.20	336.59	4.41	-97.79
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1F	REAL300000349089	1	37	-2.0	-95.27	353.17	3.95	-91.32
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1C(=O)[O-]	REAL300000349090	1	40	-2.0	-116.21	365.01	4.58	-111.63
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000349091	0	33	-2.0	-108.12	324.48	3.48	-104.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C(Cl)=C1	REAL300000349092	0	33	-2.0	-95.66	328.93	4.15	-91.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1F	REAL300000349093	1	33	-2.0	-96.94	320.41	3.63	-93.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)S1	REAL300000349094	0	30	-2.0	-98.97	308.14	2.72	-96.25
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349095	0	33	-2.0	-100.62	322.29	3.66	-96.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1F	REAL300000349096	0	36	-2.0	-109.06	341.64	4.30	-104.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C(F)=C1	REAL300000349097	0	33	-2.0	-97.33	321.34	3.66	-93.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1Cl	REAL300000349098	1	33	-2.0	-95.01	328.38	4.00	-91.01
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=N2)C=C1	REAL300000349099	1	36	-2.0	-103.95	345.32	4.80	-99.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=CC(F)=C1F	REAL300000349100	1	33	-2.0	-98.86	326.71	3.70	-95.16
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349101	0	35	-2.0	-94.74	344.07	4.27	-90.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349102	0	34	-2.0	-110.74	325.59	1.31	-109.43
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349102	1	34	-2.0	-110.13	324.81	2.11	-108.02
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1	REAL300000349103	1	36	-2.0	-101.54	338.06	4.38	-97.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=CC(Cl)=C1F	REAL300000349104	1	33	-2.0	-100.27	336.59	4.12	-96.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=N2)C=C1	REAL300000349105	1	36	-2.0	-107.56	329.70	4.33	-103.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000349106	1	36	-2.0	-108.55	340.71	4.25	-104.30
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=N2)C=C1	REAL300000349107	1	36	-2.0	-98.37	331.29	4.37	-94.00
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000349108	1	39	-2.0	-114.01	353.38	4.80	-109.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000349109	0	35	-2.0	-108.21	342.46	4.68	-103.53
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349110	0	33	-2.0	-99.36	327.64	3.72	-95.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C(C)=C1C(=O)[O-]	REAL300000349111	1	39	-2.0	-110.41	349.41	5.00	-105.41
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1C(=O)[O-]	REAL300000349112	0	36	-2.0	-108.80	337.36	4.19	-104.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1Cl	REAL300000349113	0	36	-2.0	-107.96	347.64	4.73	-103.23
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349114	0	36	-2.0	-114.87	340.91	4.29	-110.58
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1C(=O)[O-]	REAL300000349115	1	39	-2.0	-111.44	350.12	4.78	-106.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1CC(=O)[O-]	REAL300000349116	1	40	-2.0	-112.14	366.34	3.73	-108.41
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=N2)C=C1	REAL300000349117	1	36	-2.0	-99.66	342.67	4.75	-94.91
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000349118	1	36	-2.0	-107.28	347.10	4.56	-102.72
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1C(=O)[O-]	REAL300000349119	0	37	-2.0	-109.36	343.90	3.81	-105.55
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1C(=O)[O-]	REAL300000349120	1	36	-2.0	-104.20	349.66	4.66	-99.54
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=CC=C1C(=O)[O-]	REAL300000349121	1	36	-2.0	-97.51	331.88	4.14	-93.37
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=N2)C=C1	REAL300000349122	1	36	-2.0	-109.16	335.83	4.41	-104.75
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1[N+](=O)[O-]	REAL300000349123	0	35	-2.0	-117.47	339.60	5.45	-112.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1F	REAL300000349124	0	33	-2.0	-113.75	319.50	3.62	-110.13
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C1C(=O)[O-]	REAL300000349125	1	36	-2.0	-102.38	340.84	4.27	-98.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=CC2=CC=CC=C21	REAL300000349126	1	39	-2.0	-117.81	356.92	5.71	-112.10
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C1	REAL300000349127	0	32	-2.0	-107.29	312.10	1.73	-105.56
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=N2)C=C1	REAL300000349128	0	37	-2.0	-101.58	344.08	3.40	-98.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)=C(Cl)O1	REAL300000349129	0	30	-2.0	-97.60	316.03	2.58	-95.02
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NOC=N4)C=C3)C=C2)CC1	REAL300000349130	1	40	-2.0	-103.24	359.86	5.42	-97.82
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NOC=N4)C=C3)C=C2C1	REAL300000349131	1	40	-2.0	-106.26	361.33	5.49	-100.77
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000349132	0	36	-2.0	-103.59	338.00	3.59	-100.00
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)C=CC=C21	REAL300000349133	0	42	-2.0	-96.43	376.08	5.35	-91.08
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000349134	1	35	-2.0	-113.81	324.15	6.80	-107.01
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C)C2=CC=C1	REAL300000349135	0	43	-2.0	-114.66	379.24	7.86	-106.80
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C21	REAL300000349136	1	35	-2.0	-103.48	319.60	6.77	-96.71
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000349137	1	35	-2.0	-116.77	319.62	6.76	-110.01
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C)C2=CC=C1	REAL300000349138	0	39	-2.0	-122.39	347.76	6.56	-115.83
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=CC=C21	REAL300000349139	1	39	-2.0	-102.74	351.07	8.06	-94.68
CC1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000349140	1	38	-2.0	-119.38	339.69	7.41	-111.97
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=CC=C21	REAL300000349141	0	35	-2.0	-111.87	332.69	7.34	-104.53
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C21	REAL300000349142	1	35	-2.0	-112.36	332.13	7.16	-105.20
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C=C3Cl)C=CC=C21	REAL300000349143	0	35	-2.0	-107.21	345.19	7.72	-99.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)=C1C	REAL300000349144	1	41	-2.0	-119.12	352.73	8.09	-111.03
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=CC=C21	REAL300000349145	0	35	-2.0	-114.22	325.10	6.83	-107.39
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=CC=C21	REAL300000349146	1	41	-2.0	-102.14	363.19	8.35	-93.79
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C21	REAL300000349147	0	32	-2.0	-110.73	312.80	5.78	-104.95
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C)C2=CC=C1	REAL300000349148	1	38	-2.0	-117.19	335.05	7.55	-109.64
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=CC=C21	REAL300000349149	1	39	-2.0	-101.41	350.69	7.05	-94.36
CN1C=CC2=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=CC=C21	REAL300000349150	0	36	-2.0	-114.93	326.27	6.11	-108.82
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C)C2=CC=C1	REAL300000349151	1	39	-2.0	-117.27	343.82	5.58	-111.69
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)=C1	REAL300000349152	0	35	-2.0	-106.71	328.76	6.45	-100.26
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000349153	1	41	-2.0	-118.51	351.07	8.08	-110.43
CN1C=CC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C21	REAL300000349154	0	32	-2.0	-112.21	311.27	5.80	-106.41
COC1=CC(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)=CC(C(=O)[O-])=C1OC	REAL300000349155	1	43	-2.0	-117.00	377.95	6.58	-110.42
COC1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000349156	1	39	-2.0	-122.58	346.90	6.83	-115.75
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)C=CC=C21	REAL300000349157	1	45	-2.0	-121.47	374.86	9.39	-112.08
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C)C2=CC=C1	REAL300000349158	1	44	-2.0	-119.54	373.52	8.78	-110.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C)C2=CC=C1	REAL300000349159	1	41	-2.0	-114.91	349.75	8.48	-106.43
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C)C2=CC=C1	REAL300000349160	0	42	-2.0	-123.20	370.05	7.33	-115.87
CN1C=CC2=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000349161	0	38	-2.0	-112.77	348.35	7.23	-105.54
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000349161	1	37	-3.0	-193.99	348.03	7.33	-186.66
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=CC=C21	REAL300000349162	1	42	-2.0	-121.94	363.87	8.66	-113.28
CC1=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C=C(C(=O)[O-])O1	REAL300000349163	0	35	-2.0	-109.73	322.63	5.90	-103.83
CN1C=CC2=C([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)C=CC=C21	REAL300000349164	1	41	-2.0	-121.60	361.78	6.54	-115.06
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)=C1	REAL300000349165	0	39	-2.0	-118.06	348.54	5.84	-112.22
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)C=CC=C21	REAL300000349166	1	43	-2.0	-102.28	372.54	7.37	-94.91
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(Cl)=C(Cl)C(C(=O)[O-])=C3)C=CC=C21	REAL300000349167	0	35	-2.0	-105.87	347.29	7.62	-98.25
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=CC=C21	REAL300000349168	0	35	-2.0	-108.13	337.22	7.36	-100.77
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)C=CC=C21	REAL300000349169	1	39	-2.0	-99.71	366.72	7.59	-92.12
CC1=CC(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)=CC=C1OCC(=O)[O-]	REAL300000349170	1	42	-2.0	-101.94	370.79	7.75	-94.19
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C)C2=CC=C1	REAL300000349171	0	38	-2.0	-107.40	340.33	7.58	-99.82
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=CC=C21	REAL300000349172	1	39	-2.0	-100.61	356.92	7.11	-93.50
CCOC1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000349173	1	42	-2.0	-123.21	368.76	7.74	-115.47
CC1=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C=C(C(=O)[O-])S1	REAL300000349174	0	35	-2.0	-113.35	328.25	6.66	-106.69
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3Cl)C=CC=C21	REAL300000349175	0	35	-2.0	-105.41	347.85	7.78	-97.63
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=CC=C21	REAL300000349176	0	35	-2.0	-100.69	332.67	7.33	-93.36
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C21	REAL300000349177	1	35	-2.0	-102.66	324.14	6.81	-95.85
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C21	REAL300000349178	0	32	-2.0	-105.43	311.88	5.89	-99.54
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000349179	0	35	-2.0	-107.27	326.03	6.83	-100.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)=C1F	REAL300000349180	0	38	-2.0	-115.71	345.38	7.47	-108.24
COC1=CC(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000349181	0	39	-2.0	-105.23	359.93	7.38	-97.85
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=CC=C21	REAL300000349182	0	35	-2.0	-103.18	325.09	6.84	-96.34
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C21	REAL300000349183	1	35	-2.0	-100.88	332.11	7.17	-93.71
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C)C2=CC=C1	REAL300000349184	1	38	-2.0	-109.13	349.07	7.97	-101.16
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)C=CC=C21	REAL300000349185	0	43	-2.0	-99.24	383.35	8.18	-91.06
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000349186	0	35	-2.0	-104.99	330.44	6.86	-98.13
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=CC=C21	REAL300000349187	0	37	-2.0	-101.21	347.81	7.43	-93.78
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=CC=C21	REAL300000349188	0	36	-2.0	-116.05	329.33	4.48	-111.57
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=CC=C21	REAL300000349189	1	38	-2.0	-107.33	341.79	7.54	-99.79
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000349190	1	35	-2.0	-106.48	340.33	7.30	-99.18
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C2C=CN(C)C2=CC=C1	REAL300000349191	1	38	-2.0	-112.70	329.66	7.39	-105.31
CC1=CC(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)=CC(C(=O)[O-])=C1F	REAL300000349192	1	38	-2.0	-115.29	344.45	7.42	-107.87
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2C=CN(C)C2=CC=C1	REAL300000349193	1	38	-2.0	-103.23	335.04	7.54	-95.69
CC1=CC(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)=CC(C(=O)[O-])=C1C	REAL300000349194	1	41	-2.0	-120.23	352.50	7.83	-112.40
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=CC=C21	REAL300000349195	0	37	-2.0	-114.13	346.18	7.85	-106.28
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=CC=C21	REAL300000349196	0	35	-2.0	-105.51	331.36	6.89	-98.62
CC1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C(C)=C1C(=O)[O-]	REAL300000349197	1	41	-2.0	-116.87	354.10	8.15	-108.72
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000349198	0	38	-2.0	-115.50	341.10	7.37	-108.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)=C1Cl	REAL300000349199	0	38	-2.0	-113.75	351.38	7.90	-105.85
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)=C1	REAL300000349200	0	38	-2.0	-122.02	344.66	7.46	-114.56
CCC1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000349201	1	41	-2.0	-118.88	353.86	7.95	-110.93
COC1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C=C1CC(=O)[O-]	REAL300000349202	1	42	-2.0	-119.26	370.08	6.90	-112.36
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C2C=CN(C)C2=CC=C1	REAL300000349203	1	38	-2.0	-105.58	346.41	7.91	-97.67
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)C=CC=C21	REAL300000349204	1	38	-2.0	-99.76	349.73	7.58	-92.18
CC1=CC(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)=CC(C(=O)[O-])=C1Cl	REAL300000349205	1	38	-2.0	-114.24	350.84	7.72	-106.52
CCN1C=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000349206	0	39	-2.0	-116.24	347.64	6.98	-109.26
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C(C)=C1CC(=O)[O-]	REAL300000349207	1	47	-2.0	-117.16	384.02	9.60	-107.56
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000349208	1	38	-2.0	-110.04	349.49	7.73	-102.31
CN1C=CC2=C([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)C=CC=C21	REAL300000349209	0	44	-2.0	-112.26	369.05	8.90	-103.36
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000349210	0	39	-2.0	-117.35	359.95	7.39	-109.96
CC1=CC(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)=CC=C1C(=O)[O-]	REAL300000349211	1	38	-2.0	-103.68	335.63	7.31	-96.37
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])C=CC=C21	REAL300000349212	0	40	-2.0	-107.82	362.88	8.96	-98.86
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C)C2=CC=C1	REAL300000349213	1	38	-2.0	-114.02	339.57	7.58	-106.44
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=CC=C21	REAL300000349214	0	37	-2.0	-124.16	343.35	8.61	-115.55
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=CC=C21	REAL300000349215	0	35	-2.0	-121.20	323.26	6.79	-114.41
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000349216	1	38	-2.0	-108.22	340.79	7.34	-100.88
CN1C=CC2=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=CC=C21	REAL300000349217	1	41	-2.0	-125.36	360.65	8.88	-116.48
CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C21	REAL300000349218	0	34	-2.0	-114.72	315.83	4.88	-109.84
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2C=CN(C)C2=CC=C1	REAL300000349219	0	39	-2.0	-107.93	347.83	6.56	-101.37
CN1C=CC2=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=CC=C21	REAL300000349220	0	32	-2.0	-103.57	319.72	5.73	-97.84
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=CC=C21	REAL300000349221	1	42	-2.0	-110.22	365.75	8.64	-101.58
CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=CC=C21	REAL300000349222	1	42	-2.0	-113.10	365.06	8.64	-104.46
CCC1=C(S(=O)(=O)[N-]C2=C3C=CN(C)C3=CC=C2)C=C(C(=O)[O-])O1	REAL300000349223	0	38	-2.0	-109.29	341.75	6.75	-102.54
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)=C1	REAL300000349228	0	34	-2.0	-104.86	336.65	8.30	-96.56
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)=C1	REAL300000349229	0	31	-2.0	-101.43	324.35	7.25	-94.18
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000349231	1	35	-2.0	-99.93	337.72	7.60	-92.33
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)=C1	REAL300000349232	0	34	-2.0	-92.54	340.29	7.92	-84.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)=CS1	REAL300000349233	1	31	-2.0	-102.86	322.82	7.27	-95.59
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000349234	0	34	-2.0	-102.11	334.18	7.37	-94.74
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000349235	1	34	-2.0	-105.59	339.77	8.14	-97.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)S1	REAL300000349237	0	31	-2.0	-96.61	323.44	7.36	-89.25
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)=C1	REAL300000349238	1	34	-2.0	-92.74	337.58	8.30	-84.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)C(F)=C1	REAL300000349239	0	34	-2.0	-89.26	336.63	8.31	-80.95
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)=C1	REAL300000349240	0	35	-2.0	-108.49	340.89	5.95	-102.54
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3C=NC=N3)C(Cl)=C2)=C1	REAL300000349240	1	35	-2.0	-109.57	339.97	6.81	-102.76
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000349244	1	38	-2.0	-101.19	359.10	8.48	-92.71
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)=C1F	REAL300000349246	0	34	-2.0	-109.83	334.83	8.28	-101.55
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)=C1	REAL300000349247	0	33	-2.0	-105.40	328.15	6.29	-99.11
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=NC=N3)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000349248	0	37	-2.0	-102.22	353.31	8.22	-94.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=CC=C1F	REAL300000349249	0	37	-2.0	-112.05	352.30	4.80	-107.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1	REAL300000349250	0	37	-2.0	-102.61	347.76	4.78	-97.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1	REAL300000349251	0	37	-2.0	-114.64	347.77	4.77	-109.87
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=N2)N=C1	REAL300000349252	0	41	-2.0	-120.46	375.91	4.59	-115.87
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1	REAL300000349253	0	41	-2.0	-102.34	379.22	6.08	-96.26
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000349254	0	40	-2.0	-117.05	363.78	5.31	-111.74
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1	REAL300000349255	0	37	-2.0	-110.66	360.84	5.35	-105.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=CC=C1Cl	REAL300000349256	0	37	-2.0	-110.39	360.27	5.17	-105.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1C	REAL300000349257	0	43	-2.0	-117.67	380.16	6.09	-111.58
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1	REAL300000349258	0	37	-2.0	-112.27	353.25	4.84	-107.43
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1	REAL300000349259	0	43	-2.0	-101.51	391.33	6.36	-95.15
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1	REAL300000349260	0	34	-2.0	-108.97	340.95	3.81	-105.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=N2)N=C1	REAL300000349261	0	40	-2.0	-115.82	363.19	5.57	-110.25
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1	REAL300000349262	0	41	-2.0	-100.91	378.84	5.06	-95.85
CN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000349263	0	38	-2.0	-113.16	354.42	4.14	-109.02
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=N2)N=C1	REAL300000349264	0	41	-2.0	-116.21	371.97	3.59	-112.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1	REAL300000349265	0	37	-2.0	-105.66	356.88	4.46	-101.20
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000349266	0	43	-2.0	-117.08	379.22	6.09	-110.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=CS1	REAL300000349267	0	34	-2.0	-110.32	339.42	3.82	-106.50
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000349268	0	41	-2.0	-120.43	375.06	4.85	-115.58
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=N2)N=C1	REAL300000349269	0	43	-2.0	-114.07	377.91	6.49	-107.58
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1	REAL300000349270	0	44	-2.0	-120.04	392.01	6.68	-113.36
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C(C(=O)[O-])O1	REAL300000349271	0	37	-2.0	-108.75	350.77	3.93	-104.82
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1	REAL300000349272	0	41	-2.0	-116.81	376.76	3.88	-112.93
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=N2)N=C1	REAL300000349273	0	40	-2.0	-106.37	368.48	5.60	-100.77
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C(C(=O)[O-])S1	REAL300000349274	0	37	-2.0	-112.04	357.46	4.67	-107.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C(Cl)=C1	REAL300000349275	0	37	-2.0	-100.26	360.81	5.35	-94.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1F	REAL300000349276	0	37	-2.0	-101.97	352.30	4.82	-97.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)S1	REAL300000349277	0	34	-2.0	-104.42	340.04	3.90	-100.52
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1	REAL300000349278	0	37	-2.0	-105.56	354.17	4.84	-100.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1F	REAL300000349279	0	40	-2.0	-113.69	373.52	5.48	-108.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C(F)=C1	REAL300000349280	0	37	-2.0	-102.14	353.23	4.86	-97.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1Cl	REAL300000349281	0	37	-2.0	-100.07	360.27	5.18	-94.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=CC(F)=C1F	REAL300000349282	0	37	-2.0	-104.66	358.58	4.88	-99.78
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1	REAL300000349283	0	38	-2.0	-114.95	357.48	2.50	-112.45
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1	REAL300000349284	0	40	-2.0	-106.32	369.93	5.56	-100.76
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=N2)N=C1	REAL300000349285	0	40	-2.0	-111.71	357.84	5.40	-106.31
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000349286	0	40	-2.0	-113.37	372.60	5.43	-107.94
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=N2)N=C1	REAL300000349287	0	40	-2.0	-102.79	363.17	5.56	-97.23
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000349288	0	43	-2.0	-120.33	384.57	5.94	-114.39
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1	REAL300000349289	0	37	-2.0	-103.91	359.52	4.91	-99.00
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C(C)=C1C(=O)[O-]	REAL300000349290	0	43	-2.0	-115.83	382.24	6.15	-109.68
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000349291	0	40	-2.0	-113.41	369.24	5.38	-108.03
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1	REAL300000349292	0	40	-2.0	-120.44	372.80	5.47	-114.97
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000349293	0	43	-2.0	-117.84	381.74	5.96	-111.88
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000349294	0	41	-2.0	-114.48	375.79	5.01	-109.47
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=CC=C1C(=O)[O-]	REAL300000349295	0	40	-2.0	-102.78	363.77	5.33	-97.45
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=N2)N=C1	REAL300000349296	0	40	-2.0	-113.12	367.72	5.59	-107.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1F	REAL300000349297	0	37	-2.0	-119.69	351.43	4.81	-114.88
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000349298	0	40	-2.0	-108.28	372.70	5.45	-102.83
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C1	REAL300000349299	0	36	-2.0	-112.46	343.98	2.91	-109.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=N2)N=C1	REAL300000349300	0	41	-2.0	-106.86	375.97	4.58	-102.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)=C(Cl)O1	REAL300000349301	0	34	-2.0	-102.71	347.91	3.76	-98.95
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(CC4=CC=CC=N4)N=C3)C=C2)CC1	REAL300000349302	0	44	-2.0	-109.04	393.89	6.66	-102.38
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(CC4=CC=CC=N4)N=C3)C=C2C1	REAL300000349303	0	44	-2.0	-112.20	393.20	6.66	-105.54
CCC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=N3)N=C2)C=C(C(=O)[O-])O1	REAL300000349304	0	40	-2.0	-108.61	369.90	4.78	-103.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=CC=C1F	REAL300000349305	0	37	-2.0	-107.64	352.46	4.82	-102.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1	REAL300000349306	0	37	-2.0	-98.24	347.91	4.80	-93.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1	REAL300000349307	0	37	-2.0	-110.06	347.93	4.78	-105.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CN=C2)N=C1	REAL300000349308	0	41	-2.0	-115.98	376.08	4.60	-111.38
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1	REAL300000349309	0	41	-2.0	-97.86	379.38	6.09	-91.77
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1C(=O)[O-]	REAL300000349310	0	40	-2.0	-112.42	368.00	5.43	-106.99
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1	REAL300000349311	0	37	-2.0	-106.30	361.00	5.37	-100.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=CC=C1Cl	REAL300000349312	0	37	-2.0	-105.97	360.44	5.18	-100.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1C	REAL300000349313	0	43	-2.0	-113.46	380.33	6.11	-107.35
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1	REAL300000349314	0	37	-2.0	-107.70	353.41	4.85	-102.85
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1	REAL300000349315	0	43	-2.0	-97.16	391.50	6.38	-90.78
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1	REAL300000349316	0	34	-2.0	-104.53	341.12	3.82	-100.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CN=C2)N=C1	REAL300000349317	0	40	-2.0	-111.58	363.36	5.58	-106.00
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1	REAL300000349318	0	41	-2.0	-96.45	379.00	5.07	-91.38
CN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1C(=O)[O-]	REAL300000349319	0	38	-2.0	-108.59	354.57	4.15	-104.44
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CN=C2)N=C1	REAL300000349320	0	41	-2.0	-112.04	372.14	3.61	-108.43
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1	REAL300000349321	0	37	-2.0	-101.06	357.05	4.47	-96.59
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1C(=O)[O-]	REAL300000349322	0	43	-2.0	-112.80	379.39	6.10	-106.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=CS1	REAL300000349323	0	34	-2.0	-105.85	339.58	3.83	-102.02
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1C(=O)[O-]	REAL300000349324	0	41	-2.0	-115.91	375.21	4.87	-111.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CN=C2)N=C1	REAL300000349325	0	43	-2.0	-110.10	378.07	6.50	-103.60
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1	REAL300000349326	0	44	-2.0	-115.69	392.18	6.69	-109.00
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000349327	0	37	-2.0	-104.68	350.94	3.94	-100.74
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1	REAL300000349328	0	41	-2.0	-111.79	376.92	3.89	-107.90
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CN=C2)N=C1	REAL300000349329	0	40	-2.0	-102.23	368.64	5.61	-96.62
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000349330	0	37	-2.0	-107.94	357.63	4.68	-103.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C(Cl)=C1	REAL300000349331	0	37	-2.0	-95.86	360.98	5.36	-90.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1F	REAL300000349332	0	37	-2.0	-97.72	352.46	4.84	-92.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)S1	REAL300000349333	0	34	-2.0	-99.93	340.20	3.92	-96.01
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1	REAL300000349334	0	37	-2.0	-101.12	354.34	4.85	-96.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1F	REAL300000349335	0	40	-2.0	-109.09	373.69	5.49	-103.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C(F)=C1	REAL300000349336	0	37	-2.0	-97.49	353.39	4.87	-92.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1Cl	REAL300000349337	0	37	-2.0	-95.74	360.42	5.20	-90.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=CC(F)=C1F	REAL300000349338	0	37	-2.0	-100.05	358.75	4.89	-95.16
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1	REAL300000349339	0	38	-2.0	-110.85	357.65	2.51	-108.34
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1	REAL300000349340	0	40	-2.0	-101.92	370.10	5.57	-96.35
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CN=C2)N=C1	REAL300000349341	0	40	-2.0	-106.55	358.00	5.41	-101.14
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000349342	0	40	-2.0	-108.94	372.76	5.44	-103.50
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CN=C2)N=C1	REAL300000349343	0	40	-2.0	-98.58	363.34	5.57	-93.01
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000349344	0	43	-2.0	-115.26	384.73	5.95	-109.31
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1	REAL300000349345	0	37	-2.0	-99.43	359.69	4.91	-94.52
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000349346	0	43	-2.0	-110.75	382.41	6.16	-104.59
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1C(=O)[O-]	REAL300000349347	0	40	-2.0	-108.78	369.41	5.40	-103.38
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1	REAL300000349348	0	40	-2.0	-115.05	372.94	5.49	-109.56
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1C(=O)[O-]	REAL300000349349	0	43	-2.0	-111.80	381.87	5.97	-105.83
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1C(=O)[O-]	REAL300000349350	0	41	-2.0	-109.89	375.95	5.02	-104.87
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000349351	0	40	-2.0	-98.31	363.94	5.34	-92.97
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CN=C2)N=C1	REAL300000349352	0	40	-2.0	-109.10	367.89	5.60	-103.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1F	REAL300000349353	0	37	-2.0	-114.27	351.59	4.82	-109.45
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C1C(=O)[O-]	REAL300000349354	0	40	-2.0	-103.46	372.87	5.46	-98.00
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C1	REAL300000349355	0	36	-2.0	-107.79	344.15	2.92	-104.87
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CN=C2)N=C1	REAL300000349356	0	41	-2.0	-102.31	376.14	4.59	-97.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)=C(Cl)O1	REAL300000349357	0	34	-2.0	-98.50	348.08	3.76	-94.74
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(CC4=CC=CN=C4)N=C3)C=C2)CC1	REAL300000349358	0	44	-2.0	-104.66	394.06	6.67	-97.99
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(CC4=CC=CN=C4)N=C3)C=C2C1	REAL300000349359	0	44	-2.0	-107.20	393.37	6.67	-100.53
CCC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CN=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000349360	0	40	-2.0	-104.66	370.06	4.79	-99.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC3=CC=CC=C3)C=C2)=C1	REAL300000349362	1	47	-2.0	-110.58	411.47	11.03	-99.55
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000349363	1	48	-2.0	-108.52	418.12	10.38	-98.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC3=CC=CC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000349364	0	47	-2.0	-104.25	414.48	10.17	-94.08
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(CCCC3=CC=CC=C3)C=C2)=C1	REAL300000349365	0	46	-2.0	-108.20	407.68	9.14	-99.06
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCCC3=CC=CC=C3)=C2)=C1	REAL300000349367	1	47	-2.0	-110.73	411.47	11.03	-99.70
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCCC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000349368	1	48	-2.0	-109.19	418.12	10.38	-98.81
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCCC3=CC=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000349369	0	47	-2.0	-104.33	414.47	10.17	-94.16
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CCCC3=CC=CC=C3)=C2)=C1	REAL300000349370	0	46	-2.0	-107.91	408.45	9.08	-98.83
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1OCC(F)F	REAL300000349371	1	38	-2.0	-105.50	354.62	6.33	-99.17
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1OCC(F)F	REAL300000349372	1	38	-2.0	-95.57	350.07	6.31	-89.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1OCC(F)F	REAL300000349373	1	38	-2.0	-107.95	350.09	6.30	-101.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1OCC(F)F	REAL300000349374	1	42	-2.0	-95.45	381.54	7.60	-87.85
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1OCC(F)F	REAL300000349376	1	44	-2.0	-111.41	382.77	7.65	-103.76
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1OCC(F)F	REAL300000349377	0	38	-2.0	-105.35	355.57	6.37	-98.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1OCC(F)F	REAL300000349378	1	44	-2.0	-94.77	393.65	7.88	-86.89
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1OCC(F)F	REAL300000349379	0	35	-2.0	-102.25	343.27	5.32	-96.93
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1OCC(F)F	REAL300000349380	1	41	-2.0	-109.27	365.52	7.09	-102.18
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1OCC(F)F	REAL300000349381	1	39	-2.0	-106.33	356.73	5.66	-100.67
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(OCC(F)F)=C2)=C1	REAL300000349382	0	38	-2.0	-98.30	359.21	5.99	-92.31
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1OCC(F)F	REAL300000349384	0	35	-2.0	-103.70	341.74	5.34	-98.36
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(OCC(F)F)=C1	REAL300000349385	1	44	-2.0	-107.77	380.24	8.02	-99.75
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(OCC(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000349386	0	38	-2.0	-102.12	353.10	5.44	-96.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(OCC(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000349387	1	38	-2.0	-105.67	358.69	6.19	-99.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OCC(F)F	REAL300000349388	1	38	-2.0	-95.05	354.61	6.34	-88.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1OCC(F)F	REAL300000349389	0	35	-2.0	-97.14	342.36	5.43	-91.71
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OCC(F)F	REAL300000349390	1	38	-2.0	-98.83	356.49	6.37	-92.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1OCC(F)F	REAL300000349391	0	38	-2.0	-94.86	355.55	6.38	-88.48
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1OCC(F)F	REAL300000349392	0	39	-2.0	-108.32	359.80	4.02	-104.30
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1OCC(F)F	REAL300000349392	1	39	-2.0	-105.39	348.82	4.91	-100.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1OCC(F)F	REAL300000349393	1	41	-2.0	-99.40	372.25	7.08	-92.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1OCC(F)F	REAL300000349394	1	41	-2.0	-103.85	360.16	6.94	-96.91
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(OCC(F)F)=C2)C=C1C(=O)[O-]	REAL300000349398	1	44	-2.0	-109.81	384.33	7.49	-102.32
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(OCC(F)F)=C2)C=C1C(=O)[O-]	REAL300000349399	1	42	-2.0	-107.55	378.10	6.52	-101.03
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1OCC(F)F	REAL300000349401	0	38	-2.0	-111.64	353.75	6.34	-105.30
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1OCC(F)F	REAL300000349402	0	37	-2.0	-105.51	347.08	4.36	-101.15
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1OCC(F)F	REAL300000349403	0	35	-2.0	-95.87	350.23	5.28	-90.59
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(OCC(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000349404	0	41	-2.0	-102.08	372.22	6.29	-95.79
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000349405	1	31	-2.0	-100.36	308.20	6.31	-94.05
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000349406	1	31	-2.0	-90.59	303.65	6.29	-84.30
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000349407	1	31	-2.0	-102.72	303.67	6.28	-96.44
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000349408	1	35	-2.0	-90.18	335.12	7.58	-82.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C)C=C1C(=O)[O-]	REAL300000349409	1	34	-2.0	-103.88	319.69	6.80	-97.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C)=C1C	REAL300000349410	1	37	-2.0	-105.43	336.78	7.61	-97.82
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000349411	0	31	-2.0	-100.01	309.15	6.34	-93.67
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000349412	1	37	-2.0	-89.33	347.23	7.87	-81.46
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000349413	0	28	-2.0	-97.23	296.86	5.30	-91.93
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C	REAL300000349414	1	34	-2.0	-103.72	319.11	7.06	-96.66
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000349415	0	32	-2.0	-101.19	310.32	5.64	-95.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C)=C1	REAL300000349416	0	31	-2.0	-93.43	312.79	5.97	-87.46
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000349418	0	28	-2.0	-98.58	295.32	5.31	-93.27
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C	REAL300000349419	1	37	-2.0	-102.01	333.29	8.00	-94.01
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C)C=C(C(=O)[O-])O1	REAL300000349420	0	31	-2.0	-96.92	306.68	5.42	-91.50
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C)C=C(C(=O)[O-])S1	REAL300000349421	1	31	-2.0	-100.09	313.37	6.17	-93.92
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000349422	1	31	-2.0	-90.17	308.18	6.32	-83.85
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000349423	0	28	-2.0	-92.16	295.94	5.41	-86.75
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000349424	1	31	-2.0	-93.81	310.07	6.35	-87.46
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000349425	0	31	-2.0	-89.97	309.13	6.35	-83.62
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000349426	0	32	-2.0	-102.60	313.38	3.98	-98.62
CC1=C(Br)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000349426	1	32	-2.0	-102.19	310.81	4.83	-97.36
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000349427	1	34	-2.0	-93.97	325.84	7.07	-86.90
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000349428	1	34	-2.0	-98.88	313.71	6.92	-91.96
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C)=CC(C(=O)[O-])=C1C	REAL300000349430	1	37	-2.0	-105.76	337.13	7.36	-98.40
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C)C=C1C(=O)[O-]	REAL300000349432	1	37	-2.0	-104.50	337.99	7.47	-97.03
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C)C=C1C(=O)[O-]	REAL300000349433	0	35	-2.0	-102.39	331.62	6.48	-95.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C)=CC=C1C(=O)[O-]	REAL300000349434	1	34	-2.0	-90.71	319.68	6.83	-83.88
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000349435	0	31	-2.0	-106.71	307.31	6.31	-100.40
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000349436	0	30	-2.0	-100.02	300.66	4.35	-95.67
CC1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000349437	0	28	-2.0	-90.81	303.78	5.26	-85.55
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C)C=C(C(=O)[O-])O1	REAL300000349438	0	34	-2.0	-96.80	325.80	6.27	-90.53
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349439	0	42	-2.0	-133.78	372.11	6.06	-127.72
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)C(C(=O)[O-])=C1	REAL300000349440	0	41	-2.0	-127.99	353.24	5.25	-122.74
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C(C(=O)[O-])=C1	REAL300000349442	0	36	-2.0	-136.79	325.30	5.74	-131.05
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349443	0	38	-3.0	-191.75	350.78	5.12	-186.63
COC1=CC(OC)=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349443	1	39	-2.0	-102.68	355.80	4.58	-98.10
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C(C(=O)[O-])=C1	REAL300000349444	0	35	-2.0	-118.70	328.69	4.12	-114.58
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000349445	0	37	-2.0	-124.65	338.17	5.79	-118.86
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C(C(=O)[O-])=C1	REAL300000349446	0	37	-2.0	-119.44	337.65	5.87	-113.57
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C(C(=O)[O-])=C1	REAL300000349447	0	36	-2.0	-125.86	339.05	6.06	-119.80
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000349448	0	37	-2.0	-135.58	334.92	5.76	-129.82
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349449	0	38	-3.0	-201.26	350.32	5.99	-195.27
COC1=CC(OC)=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349449	1	39	-2.0	-106.26	355.33	5.45	-100.81
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349450	0	41	-2.0	-126.92	361.01	6.68	-120.24
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)C(C(=O)[O-])=C1	REAL300000349451	0	46	-2.0	-133.14	380.04	7.89	-125.25
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000349452	0	38	-3.0	-191.47	345.28	6.05	-185.42
COC1=CC(OC)=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000349452	1	39	-2.0	-107.95	350.77	5.43	-102.52
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349453	0	44	-2.0	-137.24	374.56	4.44	-132.80
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OC)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000349454	0	44	-2.0	-128.42	376.05	4.61	-123.81
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)C(C(=O)[O-])=C1	REAL300000349455	0	43	-2.0	-132.97	362.38	7.39	-125.58
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)ON=C2C)C(C(=O)[O-])=C1	REAL300000349456	0	38	-2.0	-119.23	331.76	4.38	-114.85
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349457	0	38	-3.0	-210.53	345.79	5.96	-204.57
COC1=CC(OC)=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349457	1	39	-2.0	-124.66	350.80	5.42	-119.24
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000349458	0	36	-2.0	-118.33	330.02	5.52	-112.81
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C)=C2)C(C(=O)[O-])=C1	REAL300000349459	0	39	-2.0	-131.01	338.73	6.07	-124.94
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000349461	0	36	-2.0	-125.75	334.05	5.92	-119.83
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000349462	0	41	-2.0	-127.83	359.58	5.98	-121.85
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=CC=C2C)C(C(=O)[O-])=C1	REAL300000349463	0	42	-2.0	-129.47	353.73	6.89	-122.58
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)C(C(=O)[O-])=C1	REAL300000349464	0	42	-2.0	-132.27	355.74	6.61	-125.66
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000349465	0	36	-2.0	-118.50	339.91	5.97	-112.53
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)C(C(=O)[O-])=C1	REAL300000349466	0	41	-2.0	-141.00	358.59	5.81	-135.19
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300000349467	0	42	-2.0	-128.91	353.73	6.87	-122.04
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000349468	0	48	-2.0	-129.94	393.05	7.80	-122.14
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000349469	0	45	-2.0	-129.66	377.07	7.41	-122.25
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1	REAL300000349470	0	48	-2.0	-129.66	395.51	8.07	-121.59
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000349471	0	33	-2.0	-120.57	325.81	5.13	-115.44
CCCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1	REAL300000349472	0	45	-2.0	-129.12	381.22	7.70	-121.42
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC=C2OC)C(C(=O)[O-])=C1	REAL300000349473	0	40	-2.0	-135.94	345.06	5.16	-130.78
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349474	0	41	-3.0	-209.84	361.28	6.58	-203.26
COC1=CC(OC)=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349474	1	42	-2.0	-108.73	367.02	5.95	-102.78
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000349475	0	36	-2.0	-123.76	334.89	5.67	-118.09
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000349476	0	36	-2.0	-128.90	329.97	6.02	-122.88
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349477	0	38	-2.0	-126.58	345.54	6.07	-120.51
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000349478	0	41	-2.0	-121.79	360.54	6.88	-114.91
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CS2)C(C(=O)[O-])=C1	REAL300000349479	0	33	-2.0	-126.81	308.76	4.51	-122.30
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1	REAL300000349480	0	40	-2.0	-127.14	346.32	4.79	-122.35
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000349481	0	38	-2.0	-140.32	337.07	6.69	-133.63
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C=C2)C(C(=O)[O-])=C1	REAL300000349482	0	39	-2.0	-130.07	338.21	6.17	-123.90
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1	REAL300000349483	0	43	-2.0	-126.96	368.17	5.71	-121.25
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000349484	0	36	-2.0	-124.78	328.73	5.61	-119.17
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000349485	0	36	-2.0	-126.17	323.73	5.47	-120.70
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000349486	0	36	-2.0	-118.82	330.14	5.54	-113.28
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000349487	0	48	-2.0	-131.19	380.86	8.08	-123.11
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C(C(=O)[O-])=C1	REAL300000349488	0	42	-2.0	-130.87	361.81	4.56	-126.31
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)C=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300000349489	1	45	-2.0	-129.64	368.36	7.73	-121.91
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C(C(=O)[O-])=C1	REAL300000349490	0	36	-2.0	-121.93	333.56	6.00	-115.93
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000349491	0	38	-2.0	-115.53	345.06	6.15	-109.38
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000349492	0	36	-2.0	-129.50	317.31	5.40	-124.10
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000349493	0	43	-2.0	-134.06	373.21	4.36	-129.70
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)S2)C(C(=O)[O-])=C1	REAL300000349494	0	36	-2.0	-128.60	330.64	5.31	-123.29
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(=O)[O-])=C1	REAL300000349495	0	38	-3.0	-201.84	350.76	6.10	-195.74
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000349496	0	41	-2.0	-125.07	355.04	6.74	-118.33
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000349497	0	36	-2.0	-127.69	328.73	5.61	-122.08
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C(C(=O)[O-])=C1	REAL300000349498	0	40	-2.0	-122.95	352.58	2.30	-120.65
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(SC)C=C2)C(C(=O)[O-])=C1	REAL300000349499	0	40	-2.0	-127.36	357.02	6.51	-120.85
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C(C(=O)[O-])=C1	REAL300000349500	0	41	-2.0	-124.44	358.87	3.92	-120.52
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(=O)[O-])=C1	REAL300000349501	0	35	-3.0	-200.70	338.47	5.09	-195.61
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C(C(=O)[O-])=C1	REAL300000349502	0	39	-2.0	-121.87	348.58	2.98	-118.89
COC(=O)CCS(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349503	1	38	-2.0	-123.86	335.56	4.10	-119.76
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000349504	0	41	-3.0	-202.99	360.73	6.79	-196.20
COC1=CC(OC)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000349504	1	42	-2.0	-110.22	355.33	4.97	-105.25
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)C(C(=O)[O-])=C1	REAL300000349505	0	42	-2.0	-127.93	354.44	4.50	-123.43
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1	REAL300000349506	0	42	-2.0	-123.62	371.59	6.15	-117.47
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1	REAL300000349507	0	43	-2.0	-128.09	373.26	3.77	-124.32
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C(C(=O)[O-])=C1	REAL300000349508	0	40	-2.0	-127.80	351.33	2.27	-125.53
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1	REAL300000349509	0	42	-2.0	-129.59	359.72	6.92	-122.67
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000349510	0	42	-2.0	-133.99	362.79	7.76	-126.23
COCCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1	REAL300000349511	0	46	-2.0	-127.77	393.41	5.99	-121.78
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(CC(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000349512	0	48	-2.0	-129.51	398.05	8.16	-121.35
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C(C(=O)[O-])=C1	REAL300000349513	0	36	-2.0	-120.93	323.23	5.55	-115.38
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC=C2F)C(C(=O)[O-])=C1	REAL300000349514	0	36	-2.0	-134.29	322.30	5.54	-128.75
CCCOC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1	REAL300000349515	0	46	-2.0	-126.43	389.67	6.51	-119.92
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)C(C(=O)[O-])=C1	REAL300000349516	0	39	-2.0	-129.02	351.38	6.69	-122.33
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C)C(C(=O)[O-])=C1	REAL300000349517	0	39	-2.0	-119.95	338.72	6.28	-113.67
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C(C(=O)[O-])=C1	REAL300000349518	0	36	-2.0	-120.03	336.35	6.09	-113.94
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349520	0	39	-3.0	-204.70	351.94	5.42	-199.28
COC1=CC(OC)=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349520	1	40	-2.0	-122.71	357.41	4.79	-117.92
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C(C(=O)[O-])=C1	REAL300000349521	0	36	-2.0	-136.69	334.80	4.96	-131.73
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000349522	0	41	-2.0	-126.45	359.08	1.67	-124.78
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2)C(C(=O)[O-])=C1	REAL300000349523	0	40	-2.0	-125.57	353.04	4.78	-120.79
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OC)C(C)=C2)C(C(=O)[O-])=C1	REAL300000349524	0	43	-2.0	-128.97	366.88	5.45	-123.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1C	REAL300000349525	0	46	-2.0	-128.37	388.26	6.45	-121.92
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000349526	0	43	-2.0	-123.02	367.34	2.95	-120.07
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C)N=C2)C(C(=O)[O-])=C1	REAL300000349527	0	36	-2.0	-125.46	321.38	3.22	-122.24
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000349528	0	41	-2.0	-114.60	360.54	6.88	-107.72
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=CN1C	REAL300000349530	0	44	-2.0	-127.52	381.06	3.16	-124.36
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)C(C(=O)[O-])=C1	REAL300000349531	0	39	-2.0	-123.58	349.04	6.73	-116.85
COC1=CC(OC)=C([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)C(C(=O)[O-])=C1	REAL300000349532	0	43	-2.0	-119.39	376.41	5.94	-113.45
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=C(OC)C(C)=C2)C(C(=O)[O-])=C1	REAL300000349533	0	46	-2.0	-129.76	390.41	6.37	-123.39
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000349534	0	37	-2.0	-115.93	353.05	6.28	-109.65
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C(C(=O)[O-])=C1	REAL300000349535	0	37	-2.0	-117.44	353.51	6.21	-111.23
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000349536	0	40	-2.0	-134.58	355.68	5.77	-128.81
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000349537	0	39	-2.0	-126.14	352.79	6.52	-119.62
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000349538	0	36	-2.0	-131.03	338.49	6.04	-124.99
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)C(C(=O)[O-])=C1	REAL300000349539	0	39	-2.0	-125.76	344.04	6.11	-119.65
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)C(C(=O)[O-])=C1	REAL300000349540	0	39	-2.0	-120.98	349.05	6.72	-114.26
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C(C(=O)[O-])=C1	REAL300000349541	0	39	-2.0	-135.02	343.74	6.21	-128.81
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)C(C(=O)[O-])=C1	REAL300000349542	0	39	-2.0	-123.47	338.71	6.28	-117.19
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)C(C(=O)[O-])=C1	REAL300000349543	0	42	-2.0	-127.10	376.88	7.55	-119.55
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000349544	0	41	-2.0	-141.33	350.31	7.47	-133.86
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349545	0	35	-3.0	-200.09	337.44	5.01	-195.08
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C(C)=C1	REAL300000349546	1	43	-2.0	-126.41	361.79	5.51	-120.90
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=C(OC)C=C2C)C(C(=O)[O-])=C1	REAL300000349547	1	46	-2.0	-127.48	381.86	6.24	-121.24
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=CC=C2O)C(C(=O)[O-])=C1	REAL300000349548	0	40	-2.0	-128.56	348.01	3.73	-124.83
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CNN=C2)C(C(=O)[O-])=C1	REAL300000349549	0	33	-2.0	-121.91	298.42	1.91	-120.00
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C(C(=O)[O-])=C1	REAL300000349550	0	40	-2.0	-119.30	354.64	5.85	-113.45
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000349551	0	36	-2.0	-125.59	331.73	5.78	-119.81
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349552	0	38	-3.0	-197.35	348.79	5.10	-192.25
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C(C(=O)[O-])=C1	REAL300000349553	0	39	-2.0	-149.79	345.51	4.62	-145.17
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349554	0	46	-2.0	-138.53	388.35	6.75	-131.78
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000349555	0	35	-2.0	-119.02	318.73	3.68	-115.34
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)C(C(=O)[O-])=C1	REAL300000349556	0	41	-2.0	-130.61	352.98	5.89	-124.72
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C)C=N2)C(C(=O)[O-])=C1	REAL300000349557	0	36	-2.0	-136.33	321.34	4.52	-131.81
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C(C)=C1	REAL300000349558	1	46	-2.0	-126.02	383.64	6.45	-119.57
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)C(C(=O)[O-])=C1	REAL300000349559	0	40	-2.0	-118.84	357.08	2.38	-116.46
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C(C(=O)[O-])=C1	REAL300000349560	0	36	-2.0	-115.98	332.78	4.00	-111.98
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000349561	0	36	-2.0	-132.39	328.60	5.60	-126.79
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C(C(=O)[O-])=C1	REAL300000349562	0	42	-2.0	-135.70	360.44	4.93	-130.77
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C)C(C)=N2)C(C(=O)[O-])=C1	REAL300000349563	0	39	-2.0	-140.52	340.85	4.32	-136.20
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=N1	REAL300000349564	0	39	-2.0	-125.90	342.91	4.08	-121.82
COCC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349565	0	43	-2.0	-131.57	372.39	5.12	-126.45
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C(C(=O)[O-])=C1	REAL300000349566	0	41	-2.0	-128.38	352.80	4.78	-123.60
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000349567	0	36	-2.0	-122.85	336.36	6.09	-116.76
COC1=CC(OC)=C([N-]S(=O)(=O)CCOCC(F)(F)F)C(C(=O)[O-])=C1	REAL300000349568	1	39	-2.0	-120.37	355.20	3.77	-116.60
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3OC(C)CC3=C2)C(C(=O)[O-])=C1	REAL300000349569	0	44	-2.0	-128.78	373.75	6.07	-122.71
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CNN=C2C)C(C(=O)[O-])=C1	REAL300000349570	0	36	-2.0	-122.84	317.21	2.53	-120.31
COC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349571	0	40	-2.0	-132.58	346.82	4.70	-127.88
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC=C2C)C(C(=O)[O-])=C1	REAL300000349572	0	39	-2.0	-128.30	332.31	6.21	-122.09
COC1=CC(OC)=C([N-]S(=O)(=O)C2=NN(C)C=C2)C(C(=O)[O-])=C1	REAL300000349574	0	36	-2.0	-136.34	322.17	2.97	-133.37
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=NN2C)C(C(=O)[O-])=C1	REAL300000349575	0	36	-2.0	-120.89	317.06	3.11	-117.78
COCCS(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349576	1	36	-2.0	-120.71	313.77	2.34	-118.37
COC1=CC(OC)=C([N-]S(=O)(=O)CC2CCCO2)C(C(=O)[O-])=C1	REAL300000349577	0	40	-2.0	-127.87	336.31	3.68	-124.19
COC1=CC(OC)=C([N-]S(=O)(=O)CC2CCCCO2)C(C(=O)[O-])=C1	REAL300000349578	0	43	-2.0	-127.21	353.81	4.69	-122.52
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000349581	0	39	-2.0	-134.94	343.74	6.22	-128.72
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)C(C(=O)[O-])=C1	REAL300000349582	0	39	-2.0	-122.16	343.55	6.18	-115.98
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CNC=N2)C(C(=O)[O-])=C1	REAL300000349583	0	33	-2.0	-138.18	298.30	2.90	-135.28
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])O1	REAL300000349584	0	39	-2.0	-122.51	356.86	4.22	-118.29
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000349585	0	41	-2.0	-146.44	356.74	6.13	-140.31
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000349586	0	36	-2.0	-118.62	335.50	5.59	-113.03
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)C(C(=O)[O-])=C1	REAL300000349587	0	38	-2.0	-120.56	347.97	4.63	-115.93
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OC)C(C)=C2C)C(C(=O)[O-])=C1	REAL300000349588	1	46	-2.0	-128.11	378.66	6.07	-122.04
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)C(C(=O)[O-])=C1	REAL300000349590	0	48	-2.0	-128.97	394.93	6.05	-122.92
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)C=CS2)C(C(=O)[O-])=C1	REAL300000349591	0	36	-2.0	-129.15	327.56	5.14	-124.01
CCN1N=C(C)C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1C	REAL300000349592	0	45	-2.0	-127.61	375.83	5.25	-122.36
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000349593	0	41	-2.0	-116.61	361.18	6.67	-109.94
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)C(C(=O)[O-])=C1	REAL300000349596	0	40	-2.0	-121.79	353.08	6.61	-115.18
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)C(C(=O)[O-])=C1	REAL300000349597	0	40	-2.0	-118.38	353.08	6.60	-111.78
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000349599	0	37	-2.0	-123.42	343.13	5.93	-117.49
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)C(C(=O)[O-])=C1	REAL300000349600	0	41	-2.0	-127.35	360.97	3.06	-124.29
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000349601	0	42	-2.0	-126.76	361.59	4.60	-122.16
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C(C(=O)[O-])=C1	REAL300000349603	0	41	-2.0	-131.05	357.79	5.87	-125.18
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=N1	REAL300000349604	0	42	-2.0	-134.27	376.18	4.28	-129.99
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C(C(=O)[O-])=C1	REAL300000349605	0	42	-2.0	-140.80	360.80	3.95	-136.85
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000349608	0	36	-2.0	-111.96	335.84	5.66	-106.30
COC1=CC(OC)=C([N-]S(=O)(=O)CCOC(C)C)C(C(=O)[O-])=C1	REAL300000349609	1	42	-2.0	-121.77	355.90	4.05	-117.72
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=CN1C	REAL300000349610	0	43	-2.0	-131.50	378.00	5.62	-125.88
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000349611	0	38	-3.0	-190.24	349.83	6.08	-184.16
COC1=CC(OC)=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000349611	1	39	-2.0	-107.05	355.31	5.46	-101.59
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)C(C(=O)[O-])=C1	REAL300000349612	0	42	-2.0	-123.53	363.86	6.82	-116.71
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(=O)[O-])=C1	REAL300000349613	0	35	-3.0	-193.62	337.56	5.20	-188.42
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000349614	0	45	-2.0	-136.67	381.87	6.68	-129.99
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349615	0	38	-3.0	-196.54	351.71	6.11	-190.43
COC1=CC(OC)=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349615	1	39	-2.0	-115.41	357.20	5.49	-109.92
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=CN1	REAL300000349616	0	40	-2.0	-128.01	360.23	3.86	-124.15
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000349617	0	38	-3.0	-192.52	350.75	6.11	-186.41
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000349618	0	39	-2.0	-124.79	337.64	6.24	-118.55
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)N=C(C)S2)C(C(=O)[O-])=C1	REAL300000349619	0	38	-2.0	-126.06	342.09	4.03	-122.03
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C(C(=O)[O-])=C1	REAL300000349620	0	40	-2.0	-132.19	359.08	6.65	-125.54
CCC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349621	0	42	-2.0	-131.50	360.21	6.83	-124.67
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000349622	0	39	-2.0	-125.73	345.13	6.14	-119.59
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349624	0	42	-2.0	-124.79	375.21	4.88	-119.91
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000349625	0	39	-2.0	-125.62	349.01	6.24	-119.38
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000349626	0	42	-2.0	-138.48	358.37	7.69	-130.79
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C(C(=O)[O-])=C1	REAL300000349627	0	38	-2.0	-127.54	348.82	4.97	-122.57
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(=O)[O-])=C1	REAL300000349628	0	39	-3.0	-199.06	355.00	3.64	-195.42
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C(C(=O)[O-])=C1	REAL300000349629	0	46	-2.0	-133.74	372.64	8.00	-125.74
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000349630	0	41	-3.0	-203.07	367.47	6.82	-196.25
COC1=CC(OC)=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000349630	1	42	-2.0	-116.52	372.97	6.21	-110.31
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])O1	REAL300000349631	0	42	-2.0	-122.85	378.73	5.15	-117.70
COC1=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])SC=C1	REAL300000349633	0	37	-2.0	-136.41	337.15	4.36	-132.05
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(C(=O)[O-])=C1	REAL300000349634	0	39	-2.0	-134.01	346.60	5.90	-128.11
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C(C(=O)[O-])=C1	REAL300000349635	0	36	-2.0	-118.40	332.86	4.38	-114.02
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C(C(=O)[O-])=C1	REAL300000349636	0	36	-2.0	-133.14	337.50	4.26	-128.88
COC1=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=CC(OC)=C1	REAL300000349637	0	44	-2.0	-133.68	376.30	4.01	-129.67
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C(C(=O)[O-])=C1	REAL300000349638	0	37	-2.0	-134.35	332.66	4.25	-130.10
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C(C(=O)[O-])=C1	REAL300000349639	0	37	-2.0	-117.79	339.05	3.29	-114.50
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C(C)S2)C(C(=O)[O-])=C1	REAL300000349640	0	35	-2.0	-125.10	325.35	3.34	-121.76
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000349641	0	41	-3.0	-208.79	355.32	6.66	-202.13
COC1=CC(OC)=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000349641	1	42	-2.0	-105.62	349.66	4.87	-100.75
COCCOCCS(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349642	1	43	-2.0	-124.41	369.25	2.57	-121.84
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000349643	0	41	-3.0	-190.76	360.71	6.78	-183.98
COC1=CC(OC)=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000349643	1	42	-2.0	-97.23	355.33	4.97	-92.26
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000349644	0	37	-2.0	-124.22	346.13	6.12	-118.10
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000349645	0	39	-2.0	-128.20	349.01	6.25	-121.95
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1CC	REAL300000349646	0	48	-2.0	-132.57	393.90	8.05	-124.52
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000349648	0	42	-2.0	-136.52	362.77	5.81	-130.71
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=N1	REAL300000349649	0	41	-2.0	-119.30	367.57	4.32	-114.98
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349650	0	44	-2.0	-139.42	379.92	6.75	-132.67
COCCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=N1	REAL300000349651	0	43	-2.0	-123.73	376.58	3.13	-120.60
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)C(C(=O)[O-])=C1	REAL300000349653	0	40	-2.0	-137.42	354.11	6.26	-131.16
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000349654	0	45	-2.0	-129.87	389.82	7.16	-122.71
CCCN1C=NC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349655	0	42	-2.0	-135.87	364.65	6.18	-129.69
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C(C(=O)[O-])=C1	REAL300000349656	0	44	-2.0	-123.91	375.36	3.17	-120.74
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000349657	0	39	-2.0	-135.84	342.64	6.19	-129.65
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=N1	REAL300000349658	0	42	-2.0	-122.10	365.86	3.10	-119.00
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C(C(=O)[O-])=C1	REAL300000349659	0	43	-2.0	-144.99	362.78	5.54	-139.45
COCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1	REAL300000349660	0	43	-2.0	-130.96	371.91	5.21	-125.75
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349661	0	41	-2.0	-128.58	356.10	2.35	-126.23
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000349662	0	39	-2.0	-130.21	348.69	6.60	-123.61
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)OC(C)=C2)C(C(=O)[O-])=C1	REAL300000349664	0	39	-2.0	-126.68	340.27	4.98	-121.70
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)C(C(=O)[O-])=C1	REAL300000349665	0	44	-2.0	-130.29	370.54	6.11	-124.18
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349666	0	43	-2.0	-128.17	363.43	5.48	-122.69
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000349667	0	46	-2.0	-127.48	386.62	6.39	-121.09
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)O2)C(C(=O)[O-])=C1	REAL300000349668	0	36	-2.0	-129.14	321.92	4.24	-124.90
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=C(C)S2)C(C(=O)[O-])=C1	REAL300000349669	0	39	-2.0	-130.27	349.53	5.78	-124.49
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C(C(=O)[O-])=C1	REAL300000349670	0	39	-2.0	-125.75	342.89	4.14	-121.61
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000349671	0	36	-2.0	-119.40	339.98	6.07	-113.33
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C(C)O1	REAL300000349672	0	42	-2.0	-121.66	375.16	4.96	-116.70
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000349673	0	35	-2.0	-119.16	329.07	4.10	-115.06
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])N=C1C	REAL300000349674	0	42	-2.0	-140.48	362.86	5.23	-135.25
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000349675	0	39	-2.0	-129.66	351.37	6.69	-122.97
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000349676	0	42	-3.0	-209.87	373.81	6.20	-203.67
CCN1C=C(S(=O)(=O)NC2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000349676	1	43	-2.0	-109.93	378.71	5.64	-104.29
COC(=O)C1=COC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349677	0	39	-2.0	-127.88	357.21	4.17	-123.71
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349678	0	48	-2.0	-130.53	393.47	5.90	-124.63
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000349679	0	36	-2.0	-132.72	332.91	6.22	-126.50
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)C(C(=O)[O-])=C1	REAL300000349680	0	38	-2.0	-127.70	346.73	4.78	-122.92
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2OC)C(C(=O)[O-])=C1	REAL300000349681	0	41	-2.0	-125.51	365.87	5.55	-119.96
CCC1=NC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])S1	REAL300000349682	0	38	-2.0	-125.16	347.33	3.99	-121.17
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2C)C(C(=O)[O-])=C1	REAL300000349683	0	43	-2.0	-124.64	366.92	5.56	-119.08
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C(C(=O)[O-])=C1	REAL300000349684	0	37	-2.0	-118.70	350.71	6.42	-112.28
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C(C(=O)[O-])=C1	REAL300000349685	0	39	-2.0	-139.35	344.75	5.81	-133.54
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349686	0	41	-2.0	-125.47	367.28	4.25	-121.22
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(N(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000349688	1	44	-2.0	-132.10	368.34	5.89	-126.21
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000349690	0	36	-2.0	-121.65	346.29	5.64	-116.01
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000349691	0	39	-2.0	-136.03	351.49	6.34	-129.69
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000349692	0	39	-2.0	-125.16	355.90	4.37	-120.79
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC=C2SC)C(C(=O)[O-])=C1	REAL300000349693	0	40	-2.0	-134.13	352.91	6.53	-127.60
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(F)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000349694	0	40	-2.0	-121.43	353.04	4.78	-116.65
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C(C(=O)[O-])=C1	REAL300000349695	0	35	-2.0	-133.31	330.01	5.58	-127.73
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CO2)C(C(=O)[O-])=C1	REAL300000349696	0	33	-2.0	-127.41	299.51	3.50	-123.91
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=NN2C)C(C(=O)[O-])=C1	REAL300000349697	0	35	-2.0	-115.23	311.29	1.88	-113.35
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C(C(=O)[O-])=C1	REAL300000349698	0	41	-2.0	-123.20	361.18	4.61	-118.59
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349699	0	35	-2.0	-116.19	338.50	5.18	-111.01
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C(C(=O)[O-])=C1	REAL300000349700	0	40	-2.0	-133.13	345.30	4.87	-128.26
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000349701	0	37	-2.0	-121.45	350.73	6.42	-115.03
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349702	0	42	-2.0	-123.59	344.78	7.03	-116.56
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C(C(=O)[O-])=C1	REAL300000349704	0	40	-2.0	-143.69	355.23	5.57	-138.12
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000349706	0	37	-2.0	-135.97	341.60	3.81	-132.16
COC1=CN=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349707	0	39	-2.0	-126.06	341.90	2.87	-123.19
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC3=C(C=C2C)OCO3)C(C(=O)[O-])=C1	REAL300000349708	0	42	-2.0	-124.29	358.32	4.87	-119.42
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C(C(=O)[O-])=C1	REAL300000349711	0	40	-2.0	-132.36	344.27	6.71	-125.65
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C(C(=O)[O-])=C1	REAL300000349712	0	40	-2.0	-131.38	359.60	6.56	-124.82
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)C=C(F)C=C2C)C(C(=O)[O-])=C1	REAL300000349713	1	42	-2.0	-120.98	353.34	7.15	-113.83
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)ON=C2N)C(C(=O)[O-])=C1	REAL300000349714	0	37	-2.0	-118.31	324.86	2.73	-115.58
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000349715	0	37	-2.0	-123.07	344.33	4.29	-118.78
COC1=CC(OC)=C([N-]S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)C(C(=O)[O-])=C1	REAL300000349716	0	47	-2.0	-127.21	398.13	6.32	-120.89
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349717	0	43	-2.0	-130.04	361.79	5.51	-124.53
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C(C(=O)[O-])=C1	REAL300000349719	0	34	-2.0	-117.32	329.35	5.06	-112.26
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)N=C2)C(C(=O)[O-])=C1	REAL300000349720	0	38	-2.0	-126.51	333.44	4.31	-122.20
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C(C(=O)[O-])=C1	REAL300000349721	0	41	-2.0	-130.31	358.03	5.85	-124.46
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)C(C(=O)[O-])=C1	REAL300000349722	0	40	-2.0	-119.91	357.29	6.29	-113.62
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000349723	0	35	-2.0	-113.06	335.06	4.09	-108.97
COC1=CC(OC)=C([N-]S(=O)(=O)CC(C)OC)C(C(=O)[O-])=C1	REAL300000349724	0	39	-2.0	-124.90	332.88	3.24	-121.66
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C(F)=C1	REAL300000349725	0	40	-2.0	-131.65	351.81	4.84	-126.81
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)C(C(=O)[O-])=C1	REAL300000349726	0	42	-2.0	-128.85	362.60	5.98	-122.87
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000349727	0	39	-2.0	-124.61	349.04	6.35	-118.26
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)C=NN2C)C(C(=O)[O-])=C1	REAL300000349729	0	39	-2.0	-122.06	334.22	3.80	-118.26
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C(C(=O)[O-])=C1	REAL300000349731	0	34	-2.0	-118.25	321.25	3.97	-114.28
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CSC=C2)C(C(=O)[O-])=C1	REAL300000349732	0	33	-2.0	-124.42	308.42	4.32	-120.10
COC1=CC(OC)=C([N-]S(=O)(=O)C2=COC=C2)C(C(=O)[O-])=C1	REAL300000349733	0	33	-2.0	-125.39	299.86	3.32	-122.07
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000349734	0	41	-3.0	-192.25	361.41	6.59	-185.66
COC1=CC(OC)=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000349734	1	42	-2.0	-109.93	370.54	6.04	-103.89
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OC)N=C2)C(C(=O)[O-])=C1	REAL300000349735	0	39	-2.0	-121.91	344.01	2.17	-119.74
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C(C(=O)[O-])=C1	REAL300000349736	0	36	-2.0	-127.99	339.06	6.06	-121.93
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349737	0	47	-2.0	-123.70	393.82	6.68	-117.02
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000349738	0	39	-2.0	-131.44	353.83	6.77	-124.67
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000349739	0	39	-2.0	-133.30	343.43	4.13	-129.17
CCOC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349740	0	43	-2.0	-132.96	368.67	5.63	-127.33
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349741	0	42	-2.0	-155.86	361.24	2.92	-152.94
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C(C(=O)[O-])=C1	REAL300000349742	0	33	-2.0	-124.01	324.81	4.96	-119.05
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=CS2)C(C(=O)[O-])=C1	REAL300000349743	0	36	-2.0	-127.55	330.39	5.17	-122.38
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CNN=C2Cl)C(C(=O)[O-])=C1	REAL300000349744	0	33	-2.0	-122.62	315.11	2.31	-120.31
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C(C(=O)[O-])=C1	REAL300000349745	0	35	-2.0	-123.35	323.75	3.58	-119.77
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)C(C(=O)[O-])=C1	REAL300000349746	0	45	-2.0	-124.39	382.35	4.49	-119.90
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000349747	0	45	-2.0	-122.79	386.00	4.04	-118.75
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)C(C(=O)[O-])=C1	REAL300000349748	0	44	-2.0	-127.42	377.35	6.44	-120.98
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(C(=O)[O-])=C1	REAL300000349749	0	39	-2.0	-126.74	353.01	5.97	-120.77
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=NS2)C(C(=O)[O-])=C1	REAL300000349750	0	35	-2.0	-120.53	325.81	3.73	-116.80
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CNC(=O)S2)C(C(=O)[O-])=C1	REAL300000349751	1	33	-2.0	-119.62	313.66	1.39	-118.23
COC1=CC(OC)=C([N-]S(=O)(=O)N=S2(=O)CCCC2)C(C(=O)[O-])=C1	REAL300000349752	0	40	-2.0	-157.21	345.69	2.66	-154.55
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C(C(=O)[O-])=C1	REAL300000349753	0	43	-2.0	-129.82	366.06	7.59	-122.23
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(F)C=CS2)C(C(=O)[O-])=C1	REAL300000349754	0	33	-2.0	-125.84	315.11	4.56	-121.28
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C(C(=O)[O-])=C1	REAL300000349755	0	37	-2.0	-115.80	343.55	5.91	-109.89
COC1=CC(OC)=C([N-]S(=O)(=O)CC(OC)C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000349756	0	46	-2.0	-127.68	391.64	6.51	-121.17
COCC1(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])CC1	REAL300000349757	1	40	-2.0	-129.25	342.29	4.00	-125.25
COC1=CC(OC)=C([N-]S(=O)(=O)N=S(C)(C)=O)C(C(=O)[O-])=C1	REAL300000349758	0	36	-2.0	-154.41	322.20	1.27	-153.14
COC1=CC(OC)=C([N-]S(=O)(=O)C2=NC=CN2)C(C(=O)[O-])=C1	REAL300000349759	0	33	-2.0	-130.30	298.95	2.01	-128.29
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000349760	0	41	-2.0	-134.42	354.31	2.34	-132.08
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)C=C(C)S2)C(C(=O)[O-])=C1	REAL300000349761	0	39	-2.0	-131.23	349.48	5.93	-125.30
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000349762	0	37	-2.0	-117.09	340.70	4.26	-112.83
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)C(C(=O)[O-])=C1	REAL300000349763	0	38	-2.0	-118.18	344.38	4.82	-113.36
CCOC(=O)CC1(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])CC1	REAL300000349766	1	45	-2.0	-127.57	383.63	6.71	-120.86
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000349767	0	39	-2.0	-124.77	337.49	3.71	-121.06
C=CC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1	REAL300000349768	0	40	-2.0	-130.12	347.91	6.58	-123.54
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C)N=C2C)C(C(=O)[O-])=C1	REAL300000349769	0	39	-2.0	-126.61	340.21	3.84	-122.77
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000349770	0	36	-2.0	-117.23	333.14	4.00	-113.23
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349771	1	44	-2.0	-126.11	365.17	5.41	-120.70
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000349773	0	36	-2.0	-123.86	332.48	2.97	-120.89
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000349774	0	38	-3.0	-217.57	348.90	6.06	-211.51
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C(C(=O)[O-])=C1	REAL300000349775	0	38	-2.0	-140.20	348.03	4.90	-135.30
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C(C(=O)[O-])=C1	REAL300000349776	0	41	-2.0	-132.75	352.62	5.33	-127.42
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000349778	0	39	-2.0	-128.63	343.82	6.89	-121.74
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C(C(=O)[O-])=C1	REAL300000349779	0	41	-2.0	-140.47	353.13	5.32	-135.15
CCC(CS(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-])OC	REAL300000349780	0	42	-2.0	-125.10	349.60	3.89	-121.21
COC1=CC(OC)=C([N-]S(=O)(=O)CC(CC(C)C)OC)C(C(=O)[O-])=C1	REAL300000349781	0	48	-2.0	-126.86	386.09	5.55	-121.31
COC1=CC(OC)=C([N-]S(=O)(=O)CCOCC2CC2)C(C(=O)[O-])=C1	REAL300000349782	1	43	-2.0	-121.64	367.30	4.89	-116.75
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000349784	0	39	-2.0	-136.48	346.74	6.39	-130.09
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C(C(=O)[O-])=C1	REAL300000349785	0	41	-2.0	-128.90	361.17	3.86	-125.04
COC1=CC(OC)=C([N-]S(=O)(=O)CC(OC)C2CC2)C(C(=O)[O-])=C1	REAL300000349786	0	43	-2.0	-126.07	359.69	4.79	-121.28
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000349787	0	40	-2.0	-130.86	351.49	5.22	-125.64
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CON=C2C)C(C(=O)[O-])=C1	REAL300000349788	0	35	-2.0	-117.87	313.77	3.45	-114.42
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C(C(=O)[O-])=C1	REAL300000349789	0	39	-2.0	-123.42	352.29	6.59	-116.83
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000349790	0	42	-2.0	-139.46	364.92	6.47	-132.99
COC1=CC(OC)=C([N-]S(=O)(=O)N=S(C)(=O)N(C)C)C(C(=O)[O-])=C1	REAL300000349791	0	41	-2.0	-146.86	358.50	1.34	-145.52
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CN=C2F)C(C(=O)[O-])=C1	REAL300000349792	0	35	-2.0	-132.04	317.33	3.65	-128.39
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C(C(=O)[O-])=C1	REAL300000349795	0	35	-2.0	-117.47	318.23	3.64	-113.83
COC1=CC(OC)=C([N-]S(=O)(=O)CCOCC2CCC2)C(C(=O)[O-])=C1	REAL300000349796	1	46	-2.0	-121.77	383.87	5.42	-116.35
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C(C(=O)[O-])=C1	REAL300000349797	0	34	-2.0	-129.88	327.72	4.80	-125.08
COC1=CC(OC)=C([N-]S(=O)(=O)CC(OC)C(C)C)C(C(=O)[O-])=C1	REAL300000349799	0	45	-2.0	-125.52	366.58	4.62	-120.90
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000349800	0	36	-2.0	-119.31	339.91	5.97	-113.34
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C(C(=O)[O-])=C1	REAL300000349801	0	44	-2.0	-139.18	369.02	6.56	-132.62
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000349807	0	43	-2.0	-139.51	373.24	2.84	-136.67
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)C(C(=O)[O-])=C1	REAL300000349808	0	39	-2.0	-130.72	345.73	1.97	-128.75
CCOC(CS(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-])C1CC1	REAL300000349809	0	46	-2.0	-126.53	380.36	5.81	-120.72
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C(C)N2C)C(C(=O)[O-])=C1	REAL300000349810	0	39	-2.0	-126.83	336.19	4.44	-122.39
COC1=CC(OC)=C([N-]S(=O)(=O)CC(OC)C2CCCC2)C(C(=O)[O-])=C1	REAL300000349811	0	49	-2.0	-124.60	391.41	5.83	-118.77
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])O1	REAL300000349812	0	42	-2.0	-123.95	374.76	4.80	-119.15
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000349813	0	39	-2.0	-126.41	356.57	5.01	-121.40
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C(C(=O)[O-])=C1	REAL300000349814	0	35	-2.0	-124.41	334.20	4.07	-120.34
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000349815	0	39	-2.0	-133.05	348.91	6.25	-126.80
COC1=CC(OC)=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000349816	0	38	-2.0	-140.23	344.40	4.16	-136.07
CCCCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C(C)=N1	REAL300000349817	0	48	-2.0	-126.37	404.74	6.24	-120.13
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(=O)[O-])=C1	REAL300000349818	0	37	-3.0	-198.24	342.28	4.14	-194.10
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)C(C(=O)[O-])=C1	REAL300000349819	0	40	-2.0	-123.31	347.04	5.41	-117.90
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000349820	0	37	-2.0	-117.42	344.57	5.86	-111.56
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C(C(=O)[O-])=C1	REAL300000349821	0	38	-2.0	-126.98	340.10	4.56	-122.42
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C(C(=O)[O-])=C1	REAL300000349821	1	38	-2.0	-140.87	339.99	4.70	-136.17
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000349822	0	40	-2.0	-137.94	350.57	5.48	-132.46
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000349823	0	46	-2.0	-127.75	378.30	5.48	-122.27
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000349824	0	48	-2.0	-123.67	382.47	5.95	-117.72
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000349826	0	46	-2.0	-126.78	384.25	5.86	-120.92
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C(C(=O)[O-])=C1	REAL300000349828	0	37	-2.0	-121.97	333.01	3.13	-118.84
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000349828	1	36	-3.0	-227.50	329.45	3.99	-223.51
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C1	REAL300000349829	0	46	-2.0	-129.57	394.04	8.26	-121.31
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349830	0	42	-2.0	-123.77	356.39	4.55	-119.22
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)C(C(=O)[O-])=C1	REAL300000349831	0	41	-2.0	-128.71	364.62	5.97	-122.74
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C(C(=O)[O-])=C1	REAL300000349832	0	36	-2.0	-120.39	322.05	2.84	-117.55
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C=C2C#N)C(C(=O)[O-])=C1	REAL300000349833	0	40	-2.0	-135.62	356.34	6.42	-129.20
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000349834	0	40	-2.0	-133.34	348.54	6.62	-126.72
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C(C(=O)[O-])=C1	REAL300000349836	0	43	-2.0	-129.95	380.59	7.44	-122.51
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)C(C(=O)[O-])=C1	REAL300000349837	0	42	-2.0	-121.98	363.68	7.58	-114.40
COC1=NSC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349838	0	36	-2.0	-118.17	336.07	1.30	-116.87
COC1=CC(OC)=C([N-]S(=O)(=O)CC2CCCC(C)(C)O2)C(C(=O)[O-])=C1	REAL300000349839	0	49	-2.0	-129.34	388.95	5.68	-123.66
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=NS2)C(C(=O)[O-])=C1	REAL300000349840	0	32	-2.0	-119.93	303.56	3.20	-116.73
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000349843	0	40	-2.0	-125.25	356.83	1.01	-124.24
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349844	0	45	-2.0	-122.85	365.14	7.79	-115.06
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000349845	0	36	-2.0	-125.30	330.92	5.41	-119.89
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C(C(=O)[O-])=C1	REAL300000349847	0	41	-2.0	-138.77	353.07	5.97	-132.80
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349848	0	43	-2.0	-129.71	378.24	5.67	-124.04
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C(C(=O)[O-])=C1	REAL300000349849	0	37	-2.0	-131.87	342.66	5.90	-125.97
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C)N=N2)C(C(=O)[O-])=C1	REAL300000349850	0	35	-2.0	-130.85	315.62	1.83	-129.02
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000349851	0	43	-2.0	-127.37	366.73	5.19	-122.18
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C(C(=O)[O-])=C1	REAL300000349852	0	43	-2.0	-124.82	364.61	5.27	-119.55
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C(C(=O)[O-])=C1	REAL300000349853	0	46	-2.0	-124.87	386.20	6.08	-118.79
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C(C(=O)[O-])=C1	REAL300000349854	0	43	-2.0	-131.25	360.23	5.47	-125.78
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)SC=C2C)C(C(=O)[O-])=C1	REAL300000349855	0	39	-2.0	-124.40	339.69	6.10	-118.30
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C(C(=O)[O-])=C1	REAL300000349856	0	44	-2.0	-141.37	374.00	6.07	-135.30
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CSC=C2Cl)C(C(=O)[O-])=C1	REAL300000349857	0	33	-2.0	-123.94	322.74	4.84	-119.10
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)C(C(=O)[O-])=C1	REAL300000349858	0	41	-2.0	-144.57	357.52	5.07	-139.50
CCN1N=NC=C1S(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349859	0	38	-2.0	-116.12	332.06	2.80	-113.32
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C(C(=O)[O-])=C1	REAL300000349861	0	37	-2.0	-116.65	331.68	4.29	-112.36
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C(C(=O)[O-])=C1	REAL300000349862	0	39	-2.0	-132.51	356.17	6.85	-125.66
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C(C(=O)[O-])=C1	REAL300000349863	0	43	-2.0	-123.70	369.26	5.11	-118.59
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)C(C(=O)[O-])=C1	REAL300000349864	0	45	-2.0	-126.35	372.57	7.76	-118.59
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)C(C(=O)[O-])=C1	REAL300000349865	0	44	-2.0	-129.29	369.90	5.19	-124.10
COC1=CC(OC)=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000349866	0	39	-2.0	-132.48	347.09	5.71	-126.77
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C(C(=O)[O-])=C1	REAL300000349867	0	43	-2.0	-129.24	372.59	5.34	-123.90
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000349868	0	39	-2.0	-137.51	346.26	4.54	-132.97
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C(C(=O)[O-])=C1	REAL300000349869	0	41	-2.0	-148.24	361.36	3.91	-144.33
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000349870	0	43	-2.0	-128.57	357.72	7.36	-121.21
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)C(C(=O)[O-])=C1	REAL300000349871	0	40	-2.0	-129.05	345.33	3.12	-125.93
COC1=NSC=C1S(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349872	0	36	-2.0	-125.56	334.12	1.33	-124.23
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)NC=N2)C(C(=O)[O-])=C1	REAL300000349873	0	36	-2.0	-136.08	315.94	3.58	-132.50
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C(C(=O)[O-])=C1	REAL300000349875	0	39	-2.0	-126.16	350.55	5.86	-120.30
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000349876	0	46	-2.0	-130.95	388.34	5.90	-125.05
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C(C(=O)[O-])=C1	REAL300000349877	0	33	-2.0	-123.70	322.63	5.03	-118.67
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000349878	0	46	-2.0	-127.49	390.83	6.16	-121.33
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C(C(=O)[O-])=C1	REAL300000349879	0	40	-2.0	-132.76	354.06	6.58	-126.18
CCCC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349880	0	45	-2.0	-131.62	381.71	7.60	-124.02
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349881	0	42	-2.0	-120.54	373.10	3.82	-116.72
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000349882	0	37	-2.0	-128.80	341.32	5.83	-122.97
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000349883	0	43	-2.0	-127.80	361.51	5.03	-122.77
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C)C(C(=O)[O-])=C1	REAL300000349885	0	42	-2.0	-128.32	347.05	7.00	-121.32
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000349886	0	45	-2.0	-120.44	363.63	5.30	-115.14
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000349887	0	45	-2.0	-127.84	381.32	5.23	-122.61
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000349888	0	43	-2.0	-127.12	365.41	4.59	-122.53
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000349889	0	47	-2.0	-127.23	391.10	6.31	-120.92
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C(C(=O)[O-])=C1	REAL300000349890	0	39	-2.0	-127.83	344.81	6.30	-121.53
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=NN2C)C(C(=O)[O-])=C1	REAL300000349891	0	39	-2.0	-122.44	339.00	3.69	-118.75
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000349893	0	42	-2.0	-129.62	350.03	6.76	-122.86
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000349894	0	39	-2.0	-134.22	335.05	6.66	-127.56
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C(C(=O)[O-])=C1	REAL300000349895	0	37	-2.0	-126.30	349.45	6.31	-119.99
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C(C(=O)[O-])=C1	REAL300000349896	0	43	-2.0	-132.31	366.54	7.50	-124.81
COC1=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=CS1	REAL300000349897	0	37	-2.0	-131.83	339.09	3.93	-127.90
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C(C(=O)[O-])=C1	REAL300000349898	0	43	-2.0	-133.76	371.54	7.65	-126.11
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C(C(=O)[O-])=C1	REAL300000349899	0	46	-2.0	-125.62	382.07	6.00	-119.62
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=C(OC)C=C(OC)C=C1C(=O)[O-]	REAL300000349900	0	45	-2.0	-124.17	376.77	5.36	-118.81
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C(C(=O)[O-])=C1	REAL300000349902	0	41	-2.0	-139.84	360.43	3.87	-135.97
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])O1	REAL300000349903	0	39	-2.0	-129.21	343.40	5.02	-124.19
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C(C(=O)[O-])=C1	REAL300000349904	0	36	-2.0	-120.20	341.18	4.64	-115.56
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])S1	REAL300000349905	0	37	-2.0	-125.25	340.61	3.96	-121.29
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C(C(=O)[O-])=C1	REAL300000349906	0	39	-2.0	-122.24	349.50	4.21	-118.03
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349907	0	46	-2.0	-131.79	394.24	6.08	-125.71
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C(C(=O)[O-])=C1	REAL300000349908	0	39	-2.0	-131.03	337.16	6.33	-124.70
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C(C(=O)[O-])=C1	REAL300000349909	0	39	-2.0	-133.39	342.32	5.89	-127.50
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C(C(=O)[O-])=C1	REAL300000349910	0	38	-2.0	-131.52	347.78	4.87	-126.65
CCN1N=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=N1	REAL300000349911	0	38	-2.0	-126.51	338.03	2.30	-124.21
CCN1N=CC(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1Cl	REAL300000349912	0	39	-2.0	-122.12	358.49	4.43	-117.69
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C(C(=O)[O-])=C1	REAL300000349913	0	33	-2.0	-121.59	317.06	4.04	-117.55
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)C(C(=O)[O-])=C1	REAL300000349914	0	43	-2.0	-128.34	374.75	5.86	-122.48
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000349916	0	40	-2.0	-129.89	360.65	6.83	-123.06
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=CO2)C(C(=O)[O-])=C1	REAL300000349917	0	36	-2.0	-128.56	321.42	4.18	-124.38
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000349918	0	35	-2.0	-112.64	334.95	4.05	-108.59
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C(C(=O)[O-])=C1	REAL300000349919	0	42	-2.0	-128.68	361.25	5.39	-123.29
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000349920	0	43	-2.0	-137.93	370.55	7.24	-130.69
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000349921	0	36	-2.0	-121.40	336.70	3.56	-117.84
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C(C(=O)[O-])=C1	REAL300000349922	0	34	-2.0	-124.99	319.52	3.96	-121.03
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)C(C(=O)[O-])=C1	REAL300000349923	0	38	-2.0	-116.86	344.58	4.85	-112.01
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000349924	0	46	-2.0	-129.78	394.12	6.21	-123.57
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)NC(=O)NC2=O)C(C(=O)[O-])=C1	REAL300000349925	0	39	-2.0	-127.03	339.98	1.20	-125.83
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(C(=O)[O-])=C1	REAL300000349927	0	33	-2.0	-123.54	315.59	4.01	-119.53
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C(C(=O)[O-])=C1	REAL300000349928	0	33	-2.0	-121.53	325.63	5.02	-116.51
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000349929	0	44	-2.0	-125.47	369.63	3.11	-122.36
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C(C(=O)[O-])=C1	REAL300000349930	0	43	-2.0	-131.13	360.37	7.63	-123.50
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OC)N=C2C)C(C(=O)[O-])=C1	REAL300000349932	0	42	-2.0	-121.24	359.67	2.88	-118.36
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)C(C(=O)[O-])=C1	REAL300000349933	0	42	-2.0	-133.72	364.22	3.20	-130.52
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)C(C(=O)[O-])=C1	REAL300000349934	0	42	-2.0	-123.70	364.63	2.82	-120.88
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000349935	0	45	-2.0	-125.72	379.79	5.65	-120.07
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)C(C(=O)[O-])=C1	REAL300000349936	0	45	-2.0	-127.78	380.43	5.22	-122.56
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C(C(=O)[O-])=C1	REAL300000349937	0	34	-2.0	-128.29	319.79	3.91	-124.38
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C(C(=O)[O-])=C1	REAL300000349938	0	34	-2.0	-122.85	328.88	4.85	-118.00
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C(C(=O)[O-])=C1	REAL300000349939	0	42	-2.0	-123.55	359.02	4.62	-118.93
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C(C(=O)[O-])=C1	REAL300000349940	0	43	-2.0	-122.37	369.04	5.58	-116.79
COC1=NOC(CS(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])=C1	REAL300000349941	0	39	-2.0	-117.97	347.94	1.87	-116.10
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000349942	0	45	-2.0	-126.09	379.91	5.28	-120.81
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000349943	0	38	-2.0	-128.36	346.07	4.59	-123.77
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C(C(=O)[O-])=C1	REAL300000349945	0	37	-2.0	-129.98	327.86	2.63	-127.35
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CSN=C2)C(C(=O)[O-])=C1	REAL300000349946	0	32	-2.0	-117.75	302.48	3.11	-114.64
CCC1=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000349947	0	41	-3.0	-196.03	367.02	5.93	-190.10
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000349948	0	36	-2.0	-119.13	342.08	5.87	-113.26
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN=CS2)C(C(=O)[O-])=C1	REAL300000349949	0	32	-2.0	-122.99	303.40	2.63	-120.36
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000349950	0	43	-2.0	-129.07	363.04	4.75	-124.32
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C(C(=O)[O-])=C1	REAL300000349951	0	39	-2.0	-135.02	343.74	6.21	-128.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=CC=C1F	REAL300000349952	1	36	-2.0	-124.92	337.35	1.75	-123.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)C=C1	REAL300000349953	1	36	-2.0	-113.43	332.81	1.72	-111.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=CC=C1	REAL300000349954	1	36	-2.0	-125.85	332.53	1.71	-124.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)CO)=C1	REAL300000349955	0	40	-2.0	-130.09	360.94	1.51	-128.58
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C1	REAL300000349956	1	40	-2.0	-112.67	364.28	3.01	-109.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C1C(=O)[O-]	REAL300000349957	1	39	-2.0	-129.52	348.66	2.25	-127.27
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=C1	REAL300000349958	0	36	-2.0	-120.46	345.61	2.28	-118.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=CC=C1Cl	REAL300000349959	1	36	-2.0	-123.44	345.32	2.11	-121.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)=C1C	REAL300000349960	1	42	-2.0	-126.87	365.48	3.07	-123.80
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=C1	REAL300000349961	0	36	-2.0	-122.82	338.01	1.77	-121.05
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C1	REAL300000349962	1	42	-2.0	-111.63	376.39	3.30	-108.33
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=C1	REAL300000349963	0	33	-2.0	-119.71	325.99	0.73	-118.98
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)CO)=C1	REAL300000349964	1	39	-2.0	-124.71	348.24	2.50	-122.21
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C1C(=O)[O-]	REAL300000349966	0	37	-2.0	-123.92	339.45	1.07	-122.85
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)=C1	REAL300000349968	0	36	-2.0	-117.09	341.91	1.39	-115.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=CS1	REAL300000349970	0	33	-2.0	-121.54	324.19	0.74	-120.80
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)CO)=C1	REAL300000349972	1	45	-2.0	-126.79	386.71	3.73	-123.06
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)CO)=C1	REAL300000349973	1	42	-2.0	-122.26	362.99	3.43	-118.83
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)CO)=C1	REAL300000349974	0	43	-2.0	-129.88	383.23	2.27	-127.61
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(NC(=O)CO)=CC=C2)=CC(C(=O)[O-])=C1	REAL300000349975	0	39	-2.0	-116.83	363.88	2.23	-114.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=CC(C(=O)[O-])=C1	REAL300000349975	1	38	-3.0	-204.59	361.22	2.28	-202.31
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=C1	REAL300000349976	1	43	-2.0	-129.72	376.78	3.61	-126.11
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C(C(=O)[O-])O1	REAL300000349977	0	36	-2.0	-118.48	335.54	0.85	-117.63
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)=C1	REAL300000349978	0	40	-2.0	-130.73	361.72	0.80	-129.93
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)CO)=C1	REAL300000349980	1	39	-2.0	-115.50	353.51	2.53	-112.97
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C1F	REAL300000349981	1	40	-2.0	-110.64	370.11	2.06	-108.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C(C(=O)[O-])S1	REAL300000349983	0	36	-2.0	-121.08	342.50	1.60	-119.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)C(Cl)=C1	REAL300000349984	0	36	-2.0	-111.21	345.58	2.27	-108.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)C=C1F	REAL300000349985	1	36	-2.0	-112.54	337.33	1.76	-110.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)S1	REAL300000349986	0	33	-2.0	-115.65	325.08	0.84	-114.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=CC(F)=C1	REAL300000349987	1	36	-2.0	-116.22	339.22	1.78	-114.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)=C1F	REAL300000349988	0	39	-2.0	-123.99	358.56	2.42	-121.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)C(F)=C1	REAL300000349989	0	36	-2.0	-113.91	337.99	1.78	-112.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)C=C1Cl	REAL300000349990	1	36	-2.0	-110.77	345.30	2.12	-108.65
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)CO)=C1	REAL300000349991	1	39	-2.0	-117.08	362.25	2.92	-114.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=CC(F)=C1F	REAL300000349992	1	36	-2.0	-113.96	343.64	1.81	-112.15
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=C1	REAL300000349993	0	38	-2.0	-110.36	361.00	2.38	-107.98
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=C1	REAL300000349994	0	37	-2.0	-123.17	342.51	-0.57	-123.74
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(NC(=O)CO)=CC=C2)=C1	REAL300000349994	1	37	-2.0	-110.07	331.55	0.32	-109.75
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C1	REAL300000349995	1	39	-2.0	-116.49	354.99	2.49	-114.00
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)CO)=C1	REAL300000349996	1	39	-2.0	-124.97	342.38	2.35	-122.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)=CC(C(=O)[O-])=C1F	REAL300000349997	1	39	-2.0	-126.45	357.64	2.37	-124.08
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)=CC(C(=O)[O-])=C1C	REAL300000349999	1	42	-2.0	-131.59	365.49	2.78	-128.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=CC=C1[N+](=O)[O-]	REAL300000350000	0	38	-2.0	-123.35	359.09	2.80	-120.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=C1	REAL300000350001	0	36	-2.0	-114.69	344.29	1.84	-112.85
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C1C(=O)[O-]	REAL300000350003	0	39	-2.0	-125.51	357.72	2.41	-123.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)=C1Cl	REAL300000350004	0	39	-2.0	-121.93	364.57	2.85	-119.08
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)=C1	REAL300000350005	0	39	-2.0	-134.65	357.84	2.41	-132.24
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C1C(=O)[O-]	REAL300000350006	1	42	-2.0	-130.36	366.98	2.91	-127.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C1CC(=O)[O-]	REAL300000350007	1	43	-2.0	-128.01	383.29	1.85	-126.16
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)CO)=C1	REAL300000350008	1	39	-2.0	-117.61	358.88	2.88	-114.73
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000350009	1	39	-2.0	-125.44	364.03	2.68	-122.76
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C1C(=O)[O-]	REAL300000350010	0	40	-2.0	-127.31	360.94	1.93	-125.38
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C1C(=O)[O-]	REAL300000350011	1	39	-2.0	-122.17	365.68	2.77	-119.40
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)=CC=C1C(=O)[O-]	REAL300000350012	1	39	-2.0	-113.94	348.65	2.26	-111.68
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)CO)=C1	REAL300000350013	1	39	-2.0	-122.02	352.34	2.56	-119.46
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=CC=C1	REAL300000350014	0	38	-2.0	-137.24	356.53	3.56	-133.68
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=CC=C1	REAL300000350015	0	36	-2.0	-133.73	336.47	1.75	-131.98
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C1C(=O)[O-]	REAL300000350016	1	39	-2.0	-120.43	356.98	2.38	-118.05
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=C1	REAL300000350017	0	35	-2.0	-122.15	329.79	-0.23	-122.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)CO)=C1	REAL300000350018	0	40	-2.0	-117.64	361.00	1.52	-116.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(NC(=O)CO)=CC=C2)=C(Cl)O1	REAL300000350019	0	33	-2.0	-112.74	332.95	0.69	-112.05
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(NC(=O)CO)=CC=C3)C=C2)CC1	REAL300000350020	1	43	-2.0	-119.00	378.94	3.60	-115.40
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(NC(=O)CO)=CC=C3)C=C2C1	REAL300000350021	1	43	-2.0	-124.96	378.25	3.59	-121.37
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)CO)=C2)C=C(C(=O)[O-])O1	REAL300000350022	0	39	-2.0	-117.79	354.67	1.70	-116.09
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000350023	0	39	-2.0	-115.15	353.63	2.89	-112.26
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000350024	0	39	-2.0	-105.18	349.09	2.87	-102.31
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000350025	0	39	-2.0	-117.95	349.10	2.86	-115.09
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000350026	0	43	-2.0	-121.99	377.24	2.65	-119.34
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000350027	0	43	-2.0	-103.47	380.55	4.15	-99.32
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000350028	0	42	-2.0	-119.28	365.12	3.39	-115.89
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000350029	0	39	-2.0	-111.94	362.17	3.43	-108.51
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000350030	0	39	-2.0	-113.69	361.61	3.25	-110.44
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000350031	0	45	-2.0	-118.95	382.21	4.20	-114.75
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000350032	0	39	-2.0	-114.33	354.58	2.92	-111.41
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000350033	0	45	-2.0	-102.68	392.67	4.45	-98.23
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000350034	0	36	-2.0	-112.23	342.29	1.87	-110.36
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000350035	0	42	-2.0	-116.89	364.53	3.65	-113.24
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000350036	0	43	-2.0	-102.30	380.17	3.14	-99.16
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000350037	0	40	-2.0	-116.38	355.75	2.21	-114.17
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000350038	0	43	-2.0	-117.32	372.88	1.70	-115.62
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000350039	0	39	-2.0	-108.35	358.23	2.54	-105.81
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000350040	0	45	-2.0	-119.63	384.55	4.29	-115.34
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000350041	0	36	-2.0	-113.52	340.75	1.89	-111.63
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000350042	0	43	-2.0	-123.83	376.39	2.93	-120.90
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)NC	REAL300000350043	0	45	-2.0	-113.31	374.70	4.51	-108.80
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000350044	0	39	-2.0	-110.63	352.11	1.99	-108.64
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000350045	0	43	-2.0	-120.68	378.02	1.95	-118.73
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000350046	0	42	-2.0	-107.84	369.81	3.68	-104.16
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000350047	0	39	-2.0	-113.40	358.80	2.75	-110.65
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000350048	0	39	-2.0	-102.28	362.15	3.42	-98.86
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000350049	0	39	-2.0	-104.47	353.63	2.90	-101.57
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000350050	0	36	-2.0	-107.04	341.37	1.99	-105.05
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000350051	0	39	-2.0	-108.73	355.52	2.92	-105.81
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000350052	0	42	-2.0	-116.02	374.84	3.55	-112.47
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000350053	0	39	-2.0	-104.94	354.57	2.93	-102.01
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000350054	0	39	-2.0	-102.60	361.61	3.26	-99.34
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000350055	0	40	-2.0	-115.04	358.82	0.56	-114.48
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000350056	0	42	-2.0	-107.75	371.28	3.63	-104.12
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000350057	0	42	-2.0	-115.00	359.13	3.50	-111.50
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000350058	0	42	-2.0	-116.79	373.93	3.51	-113.28
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000350059	0	42	-2.0	-104.69	364.51	3.64	-101.05
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000350060	0	45	-2.0	-121.46	381.97	3.93	-117.53
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000350061	0	45	-2.0	-119.71	382.63	4.26	-115.45
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000350062	0	42	-2.0	-116.78	374.41	3.56	-113.22
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000350063	0	42	-2.0	-124.46	374.13	3.55	-120.91
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)NC)C=C1C(=O)[O-]	REAL300000350064	0	45	-2.0	-120.10	383.07	4.04	-116.06
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)NC)C=C1C(=O)[O-]	REAL300000350065	0	43	-2.0	-117.73	377.13	3.08	-114.65
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000350066	0	42	-2.0	-106.92	369.17	3.50	-103.42
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000350067	0	42	-2.0	-113.96	369.05	3.67	-110.29
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000350068	0	39	-2.0	-123.45	352.74	2.88	-120.57
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000350069	0	42	-2.0	-109.71	370.26	3.43	-106.28
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000350070	0	38	-2.0	-116.08	345.31	0.98	-115.10
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000350071	0	43	-2.0	-109.19	377.30	2.65	-106.54
CNC(=O)C1=CC(OC)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000350072	0	36	-2.0	-105.00	349.20	1.83	-103.17
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)NC)C=C(C(=O)[O-])O1	REAL300000350073	0	42	-2.0	-109.15	367.51	2.83	-106.32
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350074	0	38	-2.0	-130.82	354.66	7.28	-123.54
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000350075	0	37	-2.0	-126.00	335.84	6.46	-119.54
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300000350076	1	40	-2.0	-129.28	354.37	9.01	-120.27
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000350077	0	32	-2.0	-134.82	308.38	6.84	-127.98
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000350078	0	31	-2.0	-116.49	311.79	5.23	-111.26
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000350079	0	33	-2.0	-122.03	320.73	7.00	-115.03
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000350080	0	33	-2.0	-117.54	320.74	6.99	-110.55
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000350081	0	32	-2.0	-124.33	322.16	7.18	-117.15
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000350082	0	42	-2.0	-131.08	363.05	9.01	-122.07
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000350083	0	34	-3.0	-189.81	328.37	7.17	-182.64
COC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000350083	1	35	-2.0	-109.17	333.85	6.55	-102.62
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000350084	0	39	-2.0	-131.08	345.46	8.51	-122.57
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)ON=C1C	REAL300000350085	0	34	-2.0	-117.14	313.00	5.52	-111.62
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000350086	0	34	-3.0	-206.05	328.34	7.17	-198.88
COC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000350086	1	35	-2.0	-126.49	333.88	6.54	-119.95
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000350087	0	32	-2.0	-116.04	312.63	6.72	-109.32
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1	REAL300000350088	0	35	-2.0	-128.80	321.28	7.26	-121.54
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C=CC1=CC=CC=C1	REAL300000350089	1	36	-2.0	-127.55	331.82	7.79	-119.76
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000350090	0	32	-2.0	-123.28	316.61	7.12	-116.16
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300000350091	0	37	-2.0	-126.32	340.80	6.92	-119.40
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C	REAL300000350092	0	38	-2.0	-127.20	336.82	8.00	-119.20
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)C(C)=C1	REAL300000350093	0	38	-2.0	-130.19	338.29	7.81	-122.38
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000350094	0	32	-2.0	-116.34	322.52	7.17	-109.17
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300000350095	0	37	-2.0	-137.79	341.14	7.01	-130.78
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C	REAL300000350096	0	38	-2.0	-126.84	336.82	8.00	-118.84
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300000350097	0	44	-2.0	-128.02	376.54	8.84	-119.18
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300000350098	0	41	-2.0	-127.71	360.56	8.45	-119.26
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000350099	0	44	-2.0	-127.74	378.61	9.19	-118.55
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000350100	0	29	-2.0	-118.97	308.88	6.25	-112.72
CCCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000350101	0	41	-2.0	-127.25	364.73	8.74	-118.51
COC1=CC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1C(=O)[O-]	REAL300000350102	0	36	-2.0	-133.36	328.17	6.28	-127.08
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000350103	0	37	-3.0	-210.12	347.75	7.79	-202.33
COC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000350103	1	38	-2.0	-126.30	353.38	7.18	-119.12
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000350104	0	32	-2.0	-121.22	318.40	6.71	-114.51
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000350105	0	32	-2.0	-126.40	313.04	7.15	-119.25
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000350106	0	34	-2.0	-123.35	328.10	7.26	-116.09
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000350107	0	29	-2.0	-124.95	291.85	5.64	-119.31
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000350108	0	36	-2.0	-125.39	329.83	5.82	-119.57
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000350109	0	34	-2.0	-138.23	321.18	7.82	-130.41
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1	REAL300000350110	0	35	-2.0	-128.22	321.75	7.19	-121.03
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000350111	0	39	-2.0	-125.04	351.26	6.83	-118.21
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000350112	0	32	-2.0	-123.29	311.83	6.73	-116.56
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000350113	0	32	-2.0	-123.62	306.28	6.67	-116.95
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000350114	0	32	-2.0	-117.06	312.74	6.74	-110.32
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300000350115	0	44	-2.0	-129.15	363.90	9.22	-119.93
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000350116	0	38	-2.0	-129.00	344.83	5.68	-123.32
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300000350117	0	41	-2.0	-127.46	351.42	8.85	-118.61
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000350118	0	32	-2.0	-119.97	316.65	7.12	-112.85
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000350119	0	34	-2.0	-113.71	328.15	7.27	-106.44
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000350120	0	32	-2.0	-127.60	300.34	6.52	-121.08
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300000350121	0	39	-2.0	-132.06	356.27	5.48	-126.58
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)S1	REAL300000350122	0	32	-2.0	-126.62	313.73	6.43	-120.19
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000350123	0	32	-2.0	-125.89	311.82	6.73	-119.16
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000350124	0	36	-2.0	-121.01	335.68	3.42	-117.59
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(SC)C=C1	REAL300000350125	0	36	-2.0	-125.58	340.53	7.55	-118.03
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000350126	0	37	-2.0	-122.42	341.95	5.06	-117.36
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000350127	0	31	-3.0	-197.90	321.57	6.22	-191.68
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000350128	0	35	-2.0	-119.99	331.66	4.11	-115.88
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000350129	0	37	-3.0	-199.29	343.82	7.91	-191.38
COC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000350129	1	38	-2.0	-109.30	342.28	6.18	-103.12
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300000350130	0	38	-2.0	-125.59	336.61	5.58	-120.01
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000350131	0	38	-2.0	-121.73	354.70	7.27	-114.46
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000350132	0	39	-2.0	-126.20	356.37	4.88	-121.32
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000350133	0	36	-2.0	-125.85	334.42	3.38	-122.47
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000350134	0	38	-2.0	-127.87	342.83	8.04	-119.83
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000350135	0	38	-2.0	-132.02	345.86	8.88	-123.14
COCCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000350136	0	42	-2.0	-126.34	376.91	7.03	-119.31
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300000350137	0	44	-2.0	-127.53	381.07	9.29	-118.24
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000350138	0	32	-2.0	-118.95	306.32	6.67	-112.28
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000350139	0	32	-2.0	-132.71	305.41	6.66	-126.05
CCCOC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000350140	0	42	-2.0	-124.47	372.77	7.63	-116.84
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1Cl	REAL300000350141	0	35	-2.0	-126.68	334.47	7.81	-118.87
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C	REAL300000350142	0	35	-2.0	-117.70	321.81	7.40	-110.30
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000350143	0	32	-2.0	-117.75	319.46	7.21	-110.54
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000350145	0	35	-3.0	-203.02	335.03	6.55	-196.47
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000350146	0	32	-2.0	-134.15	317.35	6.18	-127.97
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000350147	0	37	-2.0	-123.92	341.86	2.81	-121.11
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000350148	0	36	-2.0	-122.92	335.59	5.99	-116.93
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000350149	0	39	-2.0	-126.72	349.44	6.66	-120.06
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000350150	0	42	-2.0	-126.60	371.29	7.59	-119.01
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1	REAL300000350151	0	39	-2.0	-121.01	350.49	4.07	-116.94
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000350152	0	32	-2.0	-123.07	304.47	4.35	-118.72
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300000350153	0	35	-2.0	-121.03	332.14	7.85	-113.18
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300000350154	0	42	-2.0	-127.75	373.50	7.49	-120.26
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000350155	0	36	-2.0	-130.87	338.28	6.98	-123.89
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300000350156	0	35	-2.0	-124.51	335.34	7.73	-116.78
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000350157	0	32	-2.0	-129.76	321.58	7.16	-122.60
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300000350158	0	35	-2.0	-124.46	326.59	7.32	-117.14
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300000350159	0	35	-2.0	-118.70	332.13	7.85	-110.85
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000350160	0	35	-2.0	-133.39	326.84	7.33	-126.06
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C	REAL300000350161	0	35	-2.0	-120.96	321.81	7.40	-113.56
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000350162	0	31	-3.0	-202.52	320.45	6.13	-196.39
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C(C)=C1	REAL300000350163	0	39	-2.0	-124.19	344.88	6.63	-117.56
COC1=CC(C)=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000350164	0	42	-2.0	-125.79	365.37	7.29	-118.50
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1O	REAL300000350165	0	36	-2.0	-125.96	331.11	4.86	-121.10
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000350166	0	29	-2.0	-120.04	281.49	3.03	-117.01
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000350167	0	36	-2.0	-117.72	337.72	6.99	-110.73
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000350168	0	32	-2.0	-123.63	314.78	6.92	-116.71
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000350169	0	34	-3.0	-192.69	331.42	6.32	-186.37
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000350170	0	35	-2.0	-148.50	328.07	5.85	-142.65
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1C(=O)[O-]	REAL300000350171	0	42	-2.0	-136.07	371.45	7.87	-128.20
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000350172	0	31	-2.0	-117.19	301.33	4.89	-112.30
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300000350173	0	37	-2.0	-128.44	336.08	7.01	-121.43
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000350174	0	32	-2.0	-138.96	304.06	5.72	-133.24
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C(C)=C1	REAL300000350175	0	42	-2.0	-123.99	366.73	7.56	-116.43
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300000350176	0	36	-2.0	-116.52	339.67	3.58	-112.94
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000350177	0	32	-2.0	-131.38	311.69	6.73	-124.65
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000350178	0	38	-2.0	-133.37	343.05	6.13	-127.24
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(C)=N1	REAL300000350179	0	35	-2.0	-137.30	323.45	5.53	-131.77
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000350180	0	35	-2.0	-123.43	326.00	5.20	-118.23
COCC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350181	0	39	-2.0	-129.20	354.94	6.32	-122.88
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000350182	0	37	-2.0	-126.72	335.90	5.90	-120.82
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000350183	0	32	-2.0	-120.23	319.46	7.21	-113.02
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300000350184	0	40	-2.0	-126.83	356.85	7.18	-119.65
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1C	REAL300000350185	0	32	-2.0	-120.81	300.32	3.65	-117.16
COC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350186	0	36	-2.0	-129.94	329.37	5.92	-124.02
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C	REAL300000350187	0	35	-2.0	-125.88	314.98	7.38	-118.50
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000350188	0	32	-2.0	-134.60	305.18	4.09	-130.51
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000350189	0	32	-2.0	-119.24	300.17	4.22	-115.02
COCCS(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1C(=O)[O-]	REAL300000350190	0	32	-2.0	-118.65	296.79	3.47	-115.18
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000350191	0	36	-2.0	-125.49	319.33	4.81	-120.68
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)CC1CCCCO1	REAL300000350192	0	39	-2.0	-124.85	336.82	5.82	-119.03
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1F	REAL300000350193	0	35	-2.0	-132.89	326.83	7.34	-125.55
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(C)=C1	REAL300000350194	0	35	-2.0	-120.13	326.65	7.30	-112.83
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000350195	0	29	-2.0	-136.23	281.38	4.02	-132.21
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])O1	REAL300000350196	0	35	-2.0	-121.81	339.45	5.43	-116.38
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000350197	0	37	-2.0	-144.20	340.26	7.15	-137.05
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300000350198	0	34	-2.0	-118.74	330.99	5.75	-112.99
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C(C)=C1C	REAL300000350199	0	42	-2.0	-125.59	360.13	7.30	-118.29
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CS1	REAL300000350201	0	32	-2.0	-127.10	310.67	6.26	-120.84
CCN1N=C(C)C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000350202	0	41	-2.0	-125.93	358.43	6.45	-119.48
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300000350203	0	36	-2.0	-119.12	336.16	7.74	-111.38
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1C	REAL300000350204	0	36	-2.0	-116.34	336.17	7.73	-108.61
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000350205	0	33	-2.0	-121.98	326.22	7.06	-114.92
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300000350206	0	37	-2.0	-125.83	343.52	4.28	-121.55
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000350207	0	38	-2.0	-124.53	344.69	5.73	-118.80
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000350208	0	37	-2.0	-128.81	340.89	7.00	-121.81
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000350209	0	38	-2.0	-134.70	343.71	5.07	-129.63
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000350211	0	32	-2.0	-110.26	318.91	6.79	-103.47
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)CCOC(C)C	REAL300000350212	0	38	-2.0	-119.69	338.92	5.19	-114.50
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300000350213	0	38	-2.0	-121.49	346.96	7.94	-113.55
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000350214	0	31	-3.0	-192.59	320.64	6.32	-186.27
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000350215	0	41	-2.0	-139.31	364.59	7.61	-131.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=CN1	REAL300000350216	0	36	-2.0	-126.85	343.32	4.98	-121.87
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000350217	0	35	-2.0	-123.10	320.30	7.42	-115.68
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)N=C(C)S1	REAL300000350218	0	34	-2.0	-122.73	326.44	5.11	-117.62
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000350219	0	36	-2.0	-130.13	342.18	7.78	-122.35
CCC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350220	0	38	-2.0	-129.15	342.77	8.03	-121.12
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300000350221	0	35	-2.0	-124.14	327.74	7.34	-116.80
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300000350222	0	35	-2.0	-123.30	332.53	7.29	-116.01
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000350223	0	38	-2.0	-136.54	340.96	8.90	-127.64
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000350224	0	34	-2.0	-125.87	331.92	6.09	-119.78
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000350225	0	42	-2.0	-131.31	355.24	9.21	-122.10
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000350226	0	37	-3.0	-191.23	350.97	7.86	-183.37
COC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000350226	1	38	-2.0	-104.83	356.04	7.32	-97.51
COC1=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])SC=C1	REAL300000350227	0	33	-2.0	-132.83	321.20	5.23	-127.60
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000350228	0	35	-2.0	-132.36	329.68	7.02	-125.34
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000350229	0	32	-2.0	-116.43	314.84	5.56	-110.87
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000350230	0	32	-2.0	-129.65	320.10	5.47	-124.18
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000350231	0	33	-2.0	-133.30	315.75	5.36	-127.94
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000350232	0	33	-2.0	-115.32	322.13	4.42	-110.90
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C)S1	REAL300000350233	0	31	-2.0	-123.12	308.40	4.46	-118.66
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000350234	0	37	-3.0	-207.64	342.23	7.86	-199.78
COC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000350234	1	38	-2.0	-106.01	332.26	5.98	-100.03
COCCOCCS(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1C(=O)[O-]	REAL300000350235	0	39	-2.0	-122.41	352.27	3.70	-118.71
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000350236	0	37	-3.0	-189.07	343.80	7.90	-181.17
COC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000350236	1	38	-2.0	-97.40	338.86	6.07	-91.33
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300000350237	0	35	-2.0	-126.19	332.13	7.37	-118.82
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1CC	REAL300000350238	0	44	-2.0	-130.61	376.93	9.16	-121.45
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000350239	0	38	-2.0	-138.50	345.49	7.03	-131.47
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350240	0	40	-2.0	-138.08	362.96	7.89	-130.19
COCCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000350241	0	39	-2.0	-121.62	359.67	4.25	-117.37
CCCN1C=NC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350243	0	38	-2.0	-138.12	347.41	7.39	-130.73
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1F	REAL300000350244	0	35	-2.0	-134.34	325.72	7.31	-127.03
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000350245	0	38	-2.0	-120.27	348.96	4.23	-116.04
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000350246	0	39	-2.0	-139.58	345.70	6.68	-132.90
COCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000350247	0	39	-2.0	-126.94	355.41	6.25	-120.69
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350248	0	37	-2.0	-125.77	339.19	3.48	-122.29
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300000350249	0	35	-2.0	-127.83	331.77	7.72	-120.11
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)OC(C)=C1	REAL300000350251	0	35	-2.0	-123.73	322.90	6.18	-117.55
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000350252	0	40	-2.0	-128.55	354.04	7.16	-121.39
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1C(=O)[O-]	REAL300000350253	0	39	-2.0	-126.10	346.51	6.61	-119.49
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300000350254	0	42	-2.0	-125.29	369.88	7.49	-117.80
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)O1	REAL300000350255	0	32	-2.0	-127.66	304.52	5.45	-122.21
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=C(C)S1	REAL300000350256	0	35	-2.0	-128.23	332.91	7.02	-121.21
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000350257	0	35	-2.0	-123.89	325.97	5.26	-118.63
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000350258	0	32	-2.0	-117.36	323.06	7.19	-110.17
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000350259	0	31	-2.0	-117.35	311.68	5.31	-112.04
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])N=C1C	REAL300000350260	0	38	-2.0	-137.84	345.46	6.44	-131.40
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300000350261	0	35	-2.0	-127.19	334.46	7.81	-119.38
COC(=O)C1=COC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350262	0	35	-2.0	-125.96	339.81	5.38	-120.58
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000350263	0	32	-2.0	-130.32	315.97	7.34	-122.98
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1Cl	REAL300000350264	0	34	-2.0	-125.68	329.80	5.91	-119.77
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1C(=O)[O-]	REAL300000350265	0	37	-2.0	-123.25	348.97	6.69	-116.56
CCC1=NC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])S1	REAL300000350266	0	34	-2.0	-123.35	330.36	5.14	-118.21
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000350267	0	35	-2.0	-137.46	327.84	6.94	-130.52
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300000350268	0	40	-2.0	-130.16	352.43	7.03	-123.13
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300000350269	0	32	-2.0	-120.15	328.91	6.85	-113.30
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000350270	0	35	-2.0	-127.91	332.06	7.46	-120.45
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000350271	0	35	-2.0	-120.61	338.99	5.49	-115.12
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1SC	REAL300000350272	0	36	-2.0	-131.18	335.99	7.65	-123.53
COC1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=CC=C1F	REAL300000350273	0	36	-2.0	-119.31	335.65	5.98	-113.33
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000350274	0	29	-2.0	-125.67	283.03	4.55	-121.12
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000350275	0	31	-2.0	-113.65	293.34	3.04	-110.61
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000350276	0	37	-2.0	-121.34	344.27	5.73	-115.61
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000350277	0	31	-2.0	-116.73	321.51	6.30	-110.43
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000350278	0	36	-2.0	-130.89	327.92	6.07	-124.82
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1C(=O)[O-]	REAL300000350279	0	38	-2.0	-121.34	327.84	8.14	-113.20
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)CCCCCl	REAL300000350280	0	34	-2.0	-118.26	323.26	6.60	-111.66
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000350281	0	36	-2.0	-141.36	338.32	6.69	-134.67
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000350282	0	33	-2.0	-133.87	324.69	4.93	-128.94
COC1=CN=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350283	0	35	-2.0	-124.14	324.50	4.08	-120.06
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300000350284	0	38	-2.0	-121.67	341.01	6.04	-115.63
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000350285	0	36	-2.0	-129.78	327.12	7.86	-121.92
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000350286	0	36	-2.0	-129.42	342.14	7.75	-121.67
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300000350287	0	38	-2.0	-118.84	336.40	8.26	-110.58
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300000350288	0	33	-2.0	-117.10	307.45	3.96	-113.14
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000350289	0	33	-2.0	-119.97	327.84	5.32	-114.65
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350290	0	39	-2.0	-127.42	344.88	6.63	-120.79
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CCCCC1	REAL300000350291	1	36	-2.0	-125.44	315.25	6.89	-118.55
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000350292	0	30	-2.0	-115.63	312.40	6.19	-109.44
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1	REAL300000350293	0	34	-2.0	-124.33	316.53	5.43	-118.90
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000350294	0	37	-2.0	-128.59	341.06	6.98	-121.61
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300000350295	0	36	-2.0	-117.98	339.84	7.50	-110.48
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000350296	0	31	-2.0	-111.37	318.08	5.21	-106.16
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)CC(C)OC	REAL300000350297	0	35	-2.0	-122.70	315.45	4.54	-118.16
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C(F)=C1	REAL300000350298	0	36	-2.0	-128.78	334.91	5.96	-122.82
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300000350299	0	38	-2.0	-127.21	346.03	7.04	-120.17
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000350300	0	35	-2.0	-125.49	334.51	7.45	-118.04
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=NN1C	REAL300000350302	0	35	-2.0	-120.22	316.80	5.01	-115.21
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000350303	0	30	-2.0	-117.24	303.84	5.17	-112.07
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000350304	0	29	-2.0	-122.62	291.02	5.52	-117.10
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000350305	0	29	-2.0	-123.31	282.45	4.51	-118.80
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000350306	0	37	-3.0	-190.60	344.43	7.71	-182.89
COC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000350306	1	38	-2.0	-108.12	349.89	7.08	-101.04
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000350307	0	35	-2.0	-119.84	327.11	3.28	-116.56
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000350308	0	32	-2.0	-126.05	322.14	7.18	-118.87
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300000350309	0	35	-2.0	-129.61	336.47	7.97	-121.64
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000350310	0	35	-2.0	-131.43	326.52	5.25	-126.18
CCOC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350311	0	39	-2.0	-130.38	351.23	6.85	-123.53
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000350312	0	29	-2.0	-122.13	307.91	6.10	-116.03
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=CS1	REAL300000350313	0	32	-2.0	-125.64	313.50	6.29	-119.35
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000350314	0	29	-2.0	-120.70	298.22	3.44	-117.26
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000350315	0	31	-2.0	-122.40	306.83	4.72	-117.68
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300000350316	0	40	-2.0	-125.36	360.40	7.59	-117.77
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000350317	0	35	-2.0	-125.17	336.10	7.09	-118.08
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=NS1	REAL300000350318	0	31	-2.0	-119.57	308.40	4.93	-114.64
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC(=O)S1	REAL300000350319	0	29	-2.0	-118.43	296.71	2.53	-115.90
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000350320	0	39	-2.0	-127.85	349.09	8.72	-119.13
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000350321	0	29	-2.0	-123.95	298.21	5.69	-118.26
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000350322	0	33	-2.0	-114.47	326.63	7.04	-107.43
COCC1(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])CC1	REAL300000350323	0	36	-2.0	-127.48	325.39	5.12	-122.36
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)N=S(C)(C)=O	REAL300000350324	0	32	-2.0	-152.01	305.22	2.41	-149.60
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000350325	0	29	-2.0	-128.61	281.96	3.13	-125.48
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000350326	0	37	-2.0	-131.84	336.92	3.55	-128.29
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=C(C)S1	REAL300000350327	0	35	-2.0	-129.08	332.57	7.07	-122.01
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000350328	0	34	-2.0	-116.47	327.48	5.94	-110.53
CCOC(=O)CC1(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])CC1	REAL300000350329	0	41	-2.0	-128.32	369.45	7.38	-120.94
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1	REAL300000350330	0	35	-2.0	-122.80	320.59	4.84	-117.96
C=CC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000350331	0	36	-2.0	-128.19	331.00	7.69	-120.50
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C	REAL300000350332	0	35	-2.0	-124.69	323.30	4.96	-119.73
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000350333	0	32	-2.0	-121.79	315.58	4.09	-117.70
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000350334	0	34	-2.0	-138.05	331.11	6.03	-132.02
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000350335	0	37	-2.0	-130.81	335.72	6.45	-124.36
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000350336	0	35	-2.0	-126.62	326.93	8.02	-118.60
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000350337	0	37	-2.0	-138.36	336.23	6.45	-131.91
CCC(CS(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1C(=O)[O-])OC	REAL300000350338	0	38	-2.0	-123.65	330.39	5.42	-118.23
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)CC(CC(C)C)OC	REAL300000350339	0	44	-2.0	-124.34	369.09	6.72	-117.62
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)CCOCC1CC1	REAL300000350340	0	39	-2.0	-119.67	350.33	6.02	-113.65
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F	REAL300000350341	0	35	-2.0	-134.46	329.78	7.53	-126.93
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000350342	0	37	-2.0	-126.26	343.77	5.06	-121.20
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)CC(OC)C1CC1	REAL300000350343	0	39	-2.0	-123.19	342.27	5.91	-117.28
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1C(=O)[O-]	REAL300000350344	0	36	-2.0	-128.16	334.58	6.34	-121.82
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CON=C1C	REAL300000350345	0	31	-2.0	-116.26	296.86	4.57	-111.69
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300000350346	0	35	-2.0	-121.33	335.39	7.71	-113.62
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000350347	0	38	-2.0	-136.65	348.02	7.59	-129.06
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)N=S(C)(=O)N(C)C	REAL300000350348	0	37	-2.0	-144.45	341.44	2.54	-141.91
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000350349	0	31	-2.0	-130.23	300.43	4.78	-125.45
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)CCC1CCCC1	REAL300000350350	0	41	-2.0	-120.72	348.82	7.80	-112.92
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000350351	0	31	-2.0	-115.25	301.33	4.75	-110.50
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)CCOCC1CCC1	REAL300000350352	0	42	-2.0	-119.74	366.94	6.54	-113.20
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)CC(OC)C(C)C	REAL300000350353	0	41	-2.0	-123.91	349.22	5.73	-118.18
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000350354	0	32	-2.0	-117.06	322.52	7.17	-109.89
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000350355	0	40	-2.0	-136.98	352.12	7.68	-129.30
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300000350358	0	39	-2.0	-138.05	355.85	4.04	-134.01
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(=O)NC1=O	REAL300000350359	0	35	-2.0	-130.18	328.32	3.18	-127.00
CCOC(CS(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1C(=O)[O-])C1CC1	REAL300000350360	0	42	-2.0	-124.30	362.83	6.94	-117.36
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)CC(OC)C1CCCC1	REAL300000350361	0	45	-2.0	-122.13	372.90	6.98	-115.15
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000350362	0	35	-2.0	-124.44	339.65	6.13	-118.31
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000350363	0	31	-2.0	-123.42	317.28	5.21	-118.21
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1F	REAL300000350364	0	35	-2.0	-132.04	332.04	7.38	-124.66
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000350365	0	34	-2.0	-138.49	328.24	5.31	-133.18
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000350366	0	33	-3.0	-196.30	325.36	5.27	-191.03
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300000350367	0	36	-2.0	-120.19	328.08	6.45	-113.74
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000350368	0	33	-2.0	-115.53	327.16	7.06	-108.47
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000350369	0	34	-2.0	-125.69	323.19	5.68	-120.01
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000350369	1	34	-2.0	-139.06	323.07	5.82	-133.24
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300000350370	0	36	-2.0	-136.39	333.66	6.60	-129.79
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000350371	0	42	-2.0	-125.87	360.85	6.70	-119.17
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000350372	0	42	-2.0	-124.82	367.34	7.00	-117.82
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000350373	0	33	-2.0	-119.12	316.11	4.25	-114.87
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000350373	1	32	-3.0	-226.48	312.54	5.11	-221.37
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000350374	0	42	-2.0	-127.04	377.54	9.30	-117.74
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1C(=O)[O-]	REAL300000350375	0	38	-2.0	-120.56	338.01	5.62	-114.94
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000350376	0	32	-2.0	-118.59	305.54	3.88	-114.71
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000350377	0	39	-2.0	-129.45	364.08	8.47	-120.98
COC1=NSC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350378	0	32	-2.0	-116.60	319.16	2.42	-114.18
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)CC1CCCC(C)(C)O1	REAL300000350379	0	45	-2.0	-127.17	372.03	6.81	-120.36
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000350380	0	28	-2.0	-118.63	286.66	4.33	-114.30
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300000350381	0	36	-2.0	-121.36	339.46	2.21	-119.15
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1C(=O)[O-]	REAL300000350382	0	41	-2.0	-121.30	349.35	8.93	-112.37
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000350383	0	32	-2.0	-120.24	320.16	6.52	-113.72
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000350384	0	37	-2.0	-137.41	336.17	7.10	-130.31
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000350385	0	33	-2.0	-129.92	325.73	7.02	-122.90
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000350386	0	39	-2.0	-125.17	349.82	6.32	-118.85
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000350387	0	39	-2.0	-123.26	345.14	6.56	-116.70
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000350388	0	42	-2.0	-124.15	369.28	7.19	-116.96
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000350389	0	39	-2.0	-131.80	344.30	6.64	-125.16
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)SC=C1C	REAL300000350390	0	35	-2.0	-122.40	322.86	7.22	-115.18
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000350391	0	40	-2.0	-140.13	357.37	7.21	-132.92
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000350392	0	29	-2.0	-122.03	305.35	6.05	-115.98
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300000350393	0	37	-2.0	-142.93	341.65	6.18	-136.75
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000350394	0	33	-2.0	-115.00	314.80	5.40	-109.60
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000350395	0	35	-2.0	-130.72	338.77	8.07	-122.65
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000350396	0	39	-2.0	-122.07	351.81	6.33	-115.74
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C21	REAL300000350397	0	35	-2.0	-130.89	329.64	6.93	-123.96
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000350398	0	39	-2.0	-126.99	355.22	6.54	-120.45
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000350399	0	37	-2.0	-146.90	344.47	5.02	-141.88
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000350400	0	39	-2.0	-125.94	340.69	8.46	-117.48
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(N)C(C)=C1	REAL300000350401	0	36	-2.0	-126.53	327.95	4.32	-122.21
COC1=NSC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(Cl)=CC=C1OC	REAL300000350402	0	32	-2.0	-123.68	317.22	2.45	-121.23
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)NC=N1	REAL300000350403	0	32	-2.0	-138.78	300.26	4.64	-134.14
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000350405	0	35	-2.0	-124.14	333.61	6.98	-117.16
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000350406	0	42	-2.0	-128.88	371.43	7.02	-121.86
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000350407	0	29	-2.0	-121.53	305.76	6.14	-115.39
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000350408	0	42	-2.0	-126.06	373.89	7.29	-118.77
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000350409	0	36	-2.0	-130.77	337.09	7.70	-123.07
CCCC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350410	0	41	-2.0	-129.34	364.27	8.81	-120.53
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000350411	0	39	-2.0	-126.05	344.60	6.17	-119.88
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C	REAL300000350412	0	38	-2.0	-126.67	330.01	8.19	-118.48
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000350413	0	41	-2.0	-118.75	346.75	6.44	-112.31
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000350414	0	41	-2.0	-125.87	364.41	6.36	-119.51
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000350415	0	39	-2.0	-125.12	348.50	5.71	-119.41
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000350416	0	43	-2.0	-125.03	374.20	7.41	-117.62
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000350417	0	35	-2.0	-125.88	328.32	7.34	-118.54
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=NN1C	REAL300000350418	0	35	-2.0	-120.52	323.46	4.76	-115.76
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C	REAL300000350420	0	38	-2.0	-127.36	332.40	7.88	-119.48
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000350421	0	35	-2.0	-125.05	327.86	7.59	-117.46
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000350422	0	39	-2.0	-129.65	349.14	8.71	-120.94
COC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2OC)C=CS1	REAL300000350423	0	33	-2.0	-129.54	322.19	5.05	-124.49
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000350424	0	39	-2.0	-132.27	354.64	8.77	-123.50
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000350425	0	42	-2.0	-124.06	364.74	7.20	-116.86
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1C(=O)[O-]	REAL300000350426	0	41	-2.0	-122.37	359.88	6.48	-115.89
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000350427	0	37	-2.0	-137.80	343.53	4.98	-132.82
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])O1	REAL300000350428	0	35	-2.0	-127.70	326.00	6.23	-121.47
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000350429	0	32	-2.0	-119.12	323.78	5.85	-113.27
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])S1	REAL300000350430	0	33	-2.0	-123.39	323.70	5.08	-118.31
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000350431	0	35	-2.0	-120.42	332.59	5.34	-115.08
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350432	0	42	-2.0	-129.42	376.80	7.29	-122.13
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000350433	0	35	-2.0	-125.81	320.45	7.55	-118.26
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN21	REAL300000350434	0	35	-2.0	-131.46	325.42	7.00	-124.46
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000350435	0	34	-2.0	-129.33	330.81	6.00	-123.33
CCN1N=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=N1	REAL300000350436	0	34	-2.0	-126.37	320.74	3.51	-122.86
CCN1N=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1Cl	REAL300000350437	0	35	-2.0	-120.06	341.59	5.56	-114.50
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000350438	0	29	-2.0	-121.01	299.66	5.25	-115.76
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300000350439	1	36	-2.0	-122.32	338.19	7.88	-114.44
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000350440	0	36	-2.0	-127.97	343.73	7.95	-120.02
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=CO1	REAL300000350441	0	32	-2.0	-126.91	304.51	5.30	-121.61
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000350442	0	31	-2.0	-110.89	317.97	5.17	-105.72
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000350443	0	38	-2.0	-126.73	343.31	6.56	-120.17
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000350444	0	39	-2.0	-135.95	353.64	8.37	-127.58
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000350445	0	32	-2.0	-119.45	319.78	4.69	-114.76
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000350446	0	30	-2.0	-125.63	301.77	5.08	-120.55
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300000350447	0	34	-2.0	-114.99	327.67	5.96	-109.03
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C(C2CC2)=N1	REAL300000350448	0	42	-2.0	-127.39	376.75	7.41	-119.98
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)NC(=O)NC1=O	REAL300000350449	0	35	-2.0	-126.86	322.57	2.39	-124.47
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000350450	0	29	-2.0	-121.46	298.70	5.14	-116.32
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000350451	0	29	-2.0	-119.65	308.74	6.15	-113.50
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000350452	0	39	-2.0	-128.12	343.46	8.73	-119.39
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])C(C)=N1	REAL300000350454	0	38	-2.0	-119.23	342.76	4.01	-115.22
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=CN=C1OC	REAL300000350455	0	38	-2.0	-131.69	347.30	4.33	-127.36
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300000350456	0	38	-2.0	-121.87	347.65	3.95	-117.92
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000350457	0	41	-2.0	-125.68	367.32	6.75	-118.93
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300000350458	0	41	-2.0	-125.73	363.53	6.34	-119.39
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000350459	0	30	-2.0	-126.41	302.90	5.03	-121.38
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000350460	0	30	-2.0	-120.85	311.98	5.98	-114.87
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000350461	0	38	-2.0	-122.00	342.83	5.82	-116.18
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000350462	0	39	-2.0	-121.92	353.57	6.66	-115.26
COC1=NOC(CS(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000350463	0	35	-2.0	-115.98	330.96	3.00	-112.98
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300000350464	0	41	-2.0	-123.50	364.41	6.38	-117.12
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000350465	0	34	-2.0	-119.24	327.27	5.64	-113.60
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)CC1CC(C(C)C)C1	REAL300000350466	0	44	-2.0	-121.88	369.95	8.32	-113.56
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000350467	0	33	-2.0	-128.28	310.89	3.75	-124.53
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000350468	0	28	-2.0	-116.03	285.57	4.22	-111.81
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300000350469	0	32	-2.0	-117.65	325.59	6.91	-110.74
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000350470	0	28	-2.0	-121.05	286.50	3.74	-117.31
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000350471	0	39	-2.0	-126.44	345.64	5.95	-120.49
COC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000350472	0	35	-2.0	-133.39	326.84	7.33	-126.06
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000350473	1	34	-2.0	-96.87	324.39	4.99	-91.88
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000350475	1	34	-2.0	-98.69	319.85	4.96	-93.73
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)N(C)C2=C1	REAL300000350476	0	38	-2.0	-103.89	347.99	4.75	-99.14
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C21	REAL300000350477	1	38	-2.0	-87.57	351.31	6.25	-81.32
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C21	REAL300000350479	0	34	-2.0	-94.83	332.92	5.53	-89.30
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000350480	1	34	-2.0	-94.95	332.36	5.35	-89.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)=C1C	REAL300000350481	1	40	-2.0	-101.94	352.24	6.27	-95.67
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000350482	0	34	-2.0	-95.85	325.32	5.02	-90.83
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C21	REAL300000350483	1	40	-2.0	-86.56	363.43	6.55	-80.01
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000350484	0	31	-2.0	-93.49	313.03	3.97	-89.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)N(C)C2=C1	REAL300000350485	1	37	-2.0	-100.15	335.28	5.74	-94.41
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000350487	1	35	-2.0	-97.39	326.49	4.30	-93.09
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)=C1	REAL300000350489	0	34	-2.0	-89.98	328.96	4.64	-85.34
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000350491	0	31	-2.0	-94.90	311.50	3.99	-90.91
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)N(C)C2=C1	REAL300000350493	1	43	-2.0	-101.97	373.75	6.97	-95.00
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)N(C)C2=C1	REAL300000350494	1	40	-2.0	-98.89	349.99	6.67	-92.22
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)N(C)C2=C1	REAL300000350495	0	41	-2.0	-103.79	370.28	5.52	-98.27
CN1C(=O)OC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C21	REAL300000350496	0	37	-2.0	-110.65	350.73	5.53	-105.12
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C21	REAL300000350496	1	36	-3.0	-171.28	348.25	5.52	-165.76
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C21	REAL300000350497	1	41	-2.0	-103.77	364.11	6.85	-96.92
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000350498	0	34	-2.0	-93.86	322.85	4.09	-89.77
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)=C1	REAL300000350499	0	38	-2.0	-99.40	348.76	4.05	-95.35
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)N(C)C2=C1	REAL300000350501	1	37	-2.0	-91.26	340.55	5.77	-85.49
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=C21	REAL300000350502	1	38	-2.0	-86.15	357.14	5.30	-80.85
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)C=C(C(=O)[O-])S1	REAL300000350504	1	34	-2.0	-96.79	329.54	4.84	-91.95
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C21	REAL300000350505	0	34	-2.0	-85.34	332.90	5.52	-79.82
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000350506	1	34	-2.0	-87.46	324.37	5.00	-82.46
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000350507	0	31	-2.0	-88.91	312.11	4.09	-84.82
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000350508	1	34	-2.0	-90.14	326.25	5.02	-85.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)=C1F	REAL300000350509	0	37	-2.0	-97.14	345.61	5.66	-91.48
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000350510	0	34	-2.0	-86.60	325.31	5.03	-81.57
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C21	REAL300000350511	1	34	-2.0	-85.34	332.34	5.36	-79.98
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)N(C)C2=C1	REAL300000350512	1	37	-2.0	-92.83	349.29	6.16	-86.67
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000350513	1	34	-2.0	-88.95	330.67	5.05	-83.90
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C21	REAL300000350514	1	36	-2.0	-84.74	348.03	5.63	-79.11
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000350515	0	35	-2.0	-99.19	329.56	2.67	-96.52
CN1C(=O)OC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000350515	1	35	-2.0	-100.30	318.58	3.57	-96.73
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000350516	1	37	-2.0	-90.81	342.03	5.74	-85.07
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)N(C)C2=C1	REAL300000350517	1	37	-2.0	-95.00	329.91	5.60	-89.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000350518	1	37	-2.0	-98.04	344.68	5.61	-92.43
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=C21	REAL300000350521	0	36	-2.0	-98.42	346.40	6.05	-92.37
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C21	REAL300000350522	0	34	-2.0	-87.96	331.60	5.08	-82.88
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000350524	0	37	-2.0	-97.98	345.16	5.65	-92.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)=C1Cl	REAL300000350525	0	37	-2.0	-96.44	351.61	6.09	-90.35
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)=C1	REAL300000350526	0	37	-2.0	-102.89	344.88	5.65	-97.24
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000350527	1	40	-2.0	-100.25	353.81	6.14	-94.11
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)N(C)C2=C1	REAL300000350529	1	37	-2.0	-88.66	346.11	6.14	-82.52
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000350530	1	37	-2.0	-96.56	351.07	5.92	-90.64
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000350531	1	38	-2.0	-98.56	347.87	5.17	-93.39
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000350532	1	37	-2.0	-93.35	353.59	6.03	-87.32
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=C21	REAL300000350535	0	36	-2.0	-105.38	343.58	6.80	-98.58
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000350536	0	34	-2.0	-102.27	323.51	4.99	-97.28
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000350537	1	37	-2.0	-91.68	344.79	5.63	-86.05
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C21	REAL300000350538	1	40	-2.0	-106.44	360.88	7.08	-99.36
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000350539	0	33	-2.0	-96.08	316.84	3.01	-93.07
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OC(=O)N(C)C2=C1	REAL300000350540	0	38	-2.0	-91.30	348.04	4.75	-86.55
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000350541	0	31	-2.0	-87.79	320.00	3.93	-83.86
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C21	REAL300000350542	1	41	-2.0	-93.84	365.97	6.84	-87.00
CN1C(=O)OC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C21	REAL300000350543	1	41	-2.0	-96.07	365.29	6.84	-89.23
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC(=O)N(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000350544	0	37	-2.0	-93.84	341.97	4.94	-88.90
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)=N1	REAL300000350545	1	37	-2.0	-104.90	356.48	6.51	-98.39
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=N1	REAL300000350546	1	37	-2.0	-94.95	351.91	6.48	-88.47
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000350547	1	37	-2.0	-107.37	351.92	6.47	-100.90
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000350548	1	40	-2.0	-109.84	371.99	7.12	-102.72
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)=N1	REAL300000350549	0	37	-2.0	-104.49	357.40	6.54	-97.95
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=N1	REAL300000350550	0	34	-2.0	-101.65	345.10	5.49	-96.16
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2)=N1	REAL300000350551	1	40	-2.0	-108.10	367.36	7.26	-100.84
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000350552	0	38	-2.0	-105.76	358.57	5.83	-99.93
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=C2)=N1	REAL300000350553	0	37	-2.0	-97.86	361.04	6.16	-91.70
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=N1	REAL300000350554	0	34	-2.0	-103.03	343.57	5.51	-97.52
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)=N1	REAL300000350555	0	37	-2.0	-101.19	354.93	5.61	-95.58
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=C2)=N1	REAL300000350556	0	37	-2.0	-104.64	360.52	6.37	-98.27
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)=N1	REAL300000350557	1	37	-2.0	-94.50	356.45	6.52	-87.98
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=N1	REAL300000350558	0	34	-2.0	-96.64	344.19	5.61	-91.03
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000350559	1	37	-2.0	-98.22	358.33	6.54	-91.68
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)=N1	REAL300000350560	0	37	-2.0	-94.39	357.38	6.55	-87.84
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)=N1	REAL300000350561	0	38	-2.0	-106.93	361.62	4.19	-102.74
CC1=CSC(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)=N1	REAL300000350561	1	38	-2.0	-104.09	350.65	5.07	-99.02
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)=N1	REAL300000350562	1	40	-2.0	-98.36	374.11	7.26	-91.10
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)=N1	REAL300000350563	1	40	-2.0	-103.74	361.99	7.11	-96.63
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC(C)=CS3)=C2)C=C1C(=O)[O-]	REAL300000350565	0	41	-2.0	-107.15	379.95	6.70	-100.45
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2)=N1	REAL300000350566	1	40	-2.0	-95.12	367.93	7.02	-88.10
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)=N1	REAL300000350567	0	37	-2.0	-111.64	355.58	6.51	-105.13
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=N1	REAL300000350568	0	36	-2.0	-104.24	348.91	4.53	-99.71
CC1=CSC(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)=N1	REAL300000350569	0	34	-2.0	-95.12	352.07	5.45	-89.67
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC(C)=CS3)=C2)C=C(C(=O)[O-])O1	REAL300000350570	0	40	-2.0	-100.98	374.05	6.46	-94.52
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1	REAL300000350571	0	39	-2.0	-95.10	353.65	3.64	-91.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC=C1F	REAL300000350572	1	32	-2.0	-112.12	301.74	5.08	-107.04
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CNC2=CC=C1	REAL300000350573	0	40	-2.0	-113.25	356.81	6.14	-107.11
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350574	0	32	-2.0	-109.31	313.62	5.77	-103.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1	REAL300000350575	1	32	-2.0	-101.97	297.18	5.06	-96.91
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350576	1	32	-2.0	-115.09	297.20	5.05	-110.04
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CNC2=CC=C1	REAL300000350577	0	36	-2.0	-120.70	325.33	4.84	-115.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC=C1Br	REAL300000350578	1	32	-2.0	-110.39	313.45	5.54	-104.85
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1	REAL300000350579	1	36	-2.0	-101.29	328.64	6.35	-94.94
CC1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1C(=O)[O-]	REAL300000350580	1	35	-2.0	-116.41	313.21	5.59	-110.82
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350581	0	32	-2.0	-110.22	310.27	5.61	-104.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC=C1Cl	REAL300000350582	1	32	-2.0	-110.64	309.71	5.45	-105.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C(Cl)C=C1Cl	REAL300000350583	0	32	-2.0	-105.57	322.76	5.99	-99.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1C	REAL300000350584	1	38	-2.0	-117.59	329.59	6.35	-111.24
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350585	0	32	-2.0	-112.47	302.66	5.11	-107.36
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1	REAL300000350586	1	38	-2.0	-100.73	340.76	6.63	-94.10
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350587	0	29	-2.0	-109.32	290.38	4.07	-105.25
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CNC2=CC=C1	REAL300000350588	1	35	-2.0	-115.62	312.63	5.83	-109.79
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1	REAL300000350589	1	36	-2.0	-99.95	328.26	5.34	-94.61
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=C4C=CNC4=CC=C3)C=C2)C1	REAL300000350590	1	43	-2.0	-96.55	374.03	6.12	-90.43
CN1C=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1C(=O)[O-]	REAL300000350591	0	33	-2.0	-113.24	303.83	4.40	-108.84
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CNC2=CC=C1	REAL300000350592	1	36	-2.0	-116.17	320.98	3.88	-112.29
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350593	0	32	-2.0	-105.12	306.30	4.73	-100.39
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1C(=O)[O-]	REAL300000350594	1	38	-2.0	-118.25	332.64	6.46	-111.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CS1	REAL300000350595	0	29	-2.0	-110.79	288.84	4.09	-106.70
COC1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC(C(=O)[O-])=C1OC	REAL300000350596	1	40	-2.0	-115.22	355.53	4.86	-110.36
COC1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1C(=O)[O-]	REAL300000350597	1	36	-2.0	-120.93	324.48	5.12	-115.81
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350598	1	42	-2.0	-119.82	352.43	7.68	-112.14
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CNC2=CC=C1	REAL300000350599	1	41	-2.0	-117.85	351.09	7.05	-110.80
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CNC2=CC=C1	REAL300000350600	1	38	-2.0	-113.41	327.32	6.77	-106.64
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CNC2=CC=C1	REAL300000350601	0	39	-2.0	-120.61	347.62	5.61	-115.00
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C3C=CNC3=CC=C2)=C1	REAL300000350602	0	35	-2.0	-111.94	325.91	5.52	-106.42
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350602	1	34	-3.0	-191.81	325.60	5.62	-186.19
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350603	1	39	-2.0	-120.21	341.44	6.95	-113.26
CC1=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C(C(=O)[O-])O1	REAL300000350604	0	32	-2.0	-108.25	300.20	4.19	-104.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC2=C1OCCO2	REAL300000350605	1	38	-2.0	-119.90	339.37	4.83	-115.07
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350606	0	36	-2.0	-116.08	326.11	4.13	-111.95
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=C4C=CNC4=CC=C3)C=C2C1	REAL300000350607	1	40	-2.0	-101.54	350.83	5.66	-95.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC(Cl)=C1Cl	REAL300000350608	0	32	-2.0	-104.23	324.88	5.90	-98.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C(Cl)C=C1F	REAL300000350609	0	32	-2.0	-106.53	314.78	5.64	-100.89
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1Cl	REAL300000350610	1	36	-2.0	-98.29	344.30	5.88	-92.41
CC1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC=C1OCC(=O)[O-]	REAL300000350611	1	39	-2.0	-100.47	348.36	6.04	-94.43
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1F	REAL300000350612	1	42	-2.0	-98.86	376.95	6.31	-92.55
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CNC2=CC=C1	REAL300000350613	0	35	-2.0	-106.13	317.48	5.88	-100.25
CC1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC=C1OCCCC(=O)[O-]	REAL300000350614	1	45	-2.0	-100.43	390.80	6.97	-93.46
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1F	REAL300000350615	1	36	-2.0	-99.16	334.50	5.40	-93.76
CCOC1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1C(=O)[O-]	REAL300000350616	1	39	-2.0	-121.70	346.34	6.03	-115.67
CC1=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C(C(=O)[O-])S1	REAL300000350617	0	32	-2.0	-111.73	306.89	4.94	-106.79
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350618	0	32	-2.0	-103.81	325.42	6.06	-97.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C(Cl)=C1	REAL300000350619	0	32	-2.0	-99.12	310.24	5.61	-93.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C(Br)=C1	REAL300000350620	0	32	-2.0	-98.35	313.59	5.77	-92.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1F	REAL300000350621	1	32	-2.0	-101.18	301.73	5.09	-96.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)S1	REAL300000350622	0	29	-2.0	-103.97	289.46	4.17	-99.80
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350623	0	32	-2.0	-105.62	303.61	5.12	-100.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1F	REAL300000350624	0	35	-2.0	-114.03	322.95	5.75	-108.28
COC1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000350625	0	36	-2.0	-103.68	337.50	5.67	-98.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C(F)=C1	REAL300000350626	0	32	-2.0	-101.51	302.66	5.12	-96.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1Cl	REAL300000350627	1	32	-2.0	-99.34	309.70	5.46	-93.88
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CNC2=CC=C1	REAL300000350628	1	35	-2.0	-107.90	326.22	6.27	-101.63
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1	REAL300000350629	0	40	-2.0	-97.91	360.93	6.46	-91.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1Br	REAL300000350630	1	32	-2.0	-98.97	313.43	5.55	-93.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC(F)=C1F	REAL300000350631	0	32	-2.0	-103.39	308.02	5.15	-98.24
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350632	0	34	-2.0	-99.58	325.38	5.72	-93.86
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350633	0	33	-2.0	-114.43	306.91	2.77	-111.66
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1	REAL300000350634	1	35	-2.0	-105.90	319.36	5.83	-100.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC(Cl)=C1F	REAL300000350635	1	32	-2.0	-104.90	317.91	5.58	-99.32
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C2C=CNC2=CC=C1	REAL300000350636	1	35	-2.0	-110.86	307.23	5.69	-105.17
CC1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC(C(=O)[O-])=C1F	REAL300000350637	1	35	-2.0	-113.57	322.04	5.70	-107.87
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2C=CNC2=CC=C1	REAL300000350638	1	35	-2.0	-101.76	312.61	5.83	-95.93
CC1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC(C(=O)[O-])=C1C	REAL300000350639	1	38	-2.0	-118.46	330.09	6.12	-112.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC=C1[N+](=O)[O-]	REAL300000350640	0	34	-2.0	-112.51	323.75	6.15	-106.36
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350641	0	32	-2.0	-103.82	308.93	5.17	-98.65
CC1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C(C)=C1C(=O)[O-]	REAL300000350642	1	38	-2.0	-115.35	330.73	6.46	-108.89
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1C(=O)[O-]	REAL300000350643	0	35	-2.0	-114.91	322.51	5.74	-109.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1Cl	REAL300000350644	0	35	-2.0	-112.15	328.96	6.18	-105.97
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350645	0	35	-2.0	-120.15	322.24	5.73	-114.42
CCC1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1C(=O)[O-]	REAL300000350646	1	38	-2.0	-117.20	331.52	6.24	-110.96
COC1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1CC(=O)[O-]	REAL300000350647	1	39	-2.0	-117.44	347.67	5.19	-112.25
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C2C=CNC2=CC=C1	REAL300000350648	1	35	-2.0	-103.98	323.45	6.24	-97.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1C(F)(F)F	REAL300000350649	1	35	-2.0	-98.19	327.32	5.86	-92.33
CC1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC(C(=O)[O-])=C1Cl	REAL300000350650	1	35	-2.0	-112.56	328.43	6.01	-106.55
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350651	0	32	-2.0	-107.55	318.50	5.67	-101.88
CCN1C=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1C(=O)[O-]	REAL300000350652	0	36	-2.0	-114.56	325.20	5.26	-109.30
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C(C)=C1CC(=O)[O-]	REAL300000350653	1	44	-2.0	-115.31	362.34	7.92	-107.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C(F)C(Cl)=C1F	REAL300000350654	0	32	-2.0	-102.21	322.79	5.61	-96.60
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1C(=O)[O-]	REAL300000350655	1	35	-2.0	-109.41	330.96	6.12	-103.29
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C(C(=O)[O-])S1	REAL300000350656	0	41	-2.0	-110.47	347.07	7.16	-103.31
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1C(=O)[O-]	REAL300000350657	0	36	-2.0	-115.72	337.52	5.68	-110.04
CC1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC=C1C(=O)[O-]	REAL300000350658	1	35	-2.0	-102.19	313.20	5.60	-96.59
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C([N+](=O)[O-])=C1	REAL300000350659	0	37	-2.0	-107.02	337.91	7.22	-99.80
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CNC2=CC=C1	REAL300000350660	1	35	-2.0	-112.92	316.72	5.88	-107.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1[N+](=O)[O-]	REAL300000350661	0	34	-2.0	-122.09	320.92	6.90	-115.19
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1F	REAL300000350662	0	32	-2.0	-119.30	300.83	5.08	-114.22
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C1C(=O)[O-]	REAL300000350663	1	35	-2.0	-107.54	322.15	5.73	-101.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=CC2=CC=CC=C21	REAL300000350664	1	38	-2.0	-123.65	338.23	7.17	-116.48
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C1	REAL300000350665	0	31	-2.0	-112.22	294.18	3.12	-109.10
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2C=CNC2=CC=C1	REAL300000350666	0	36	-2.0	-106.32	325.40	4.85	-101.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)=C(Cl)O1	REAL300000350667	0	29	-2.0	-102.24	297.30	4.03	-98.21
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C4C=CNC4=CC=C3)C=C2)CC1	REAL300000350668	1	39	-2.0	-108.71	343.32	6.94	-101.77
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C4C=CNC4=CC=C3)C=C2C1	REAL300000350669	1	39	-2.0	-103.32	342.28	6.92	-96.40
CCC1=C(S(=O)(=O)[N-]C2=C3C=CNC3=CC=C2)C=C(C(=O)[O-])O1	REAL300000350670	0	35	-2.0	-107.90	319.32	5.04	-102.86
COC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C2SC(C)=NC2=C1	REAL300000350671	0	37	-2.0	-109.61	352.97	4.55	-105.06
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C2SC(C)=NC2=C1	REAL300000350672	0	37	-2.0	-99.61	348.41	4.53	-95.08
COC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C2SC(C)=NC2=C1	REAL300000350673	0	37	-2.0	-112.40	348.44	4.52	-107.88
COC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C2SC(C)=NC2=C1	REAL300000350674	0	40	-2.0	-113.56	364.45	5.05	-108.51
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C2SC(C)=NC2=C1	REAL300000350675	0	37	-2.0	-109.76	353.90	4.56	-105.20
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C2SC(C)=NC2=C1	REAL300000350676	0	34	-2.0	-106.55	341.62	3.54	-103.01
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C2SC(C)=NC2=C1	REAL300000350677	0	40	-2.0	-113.27	363.87	5.30	-107.97
COC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C2SC(C)=NC2=C1	REAL300000350678	0	38	-2.0	-110.57	355.08	3.86	-106.71
COC1=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C2SC(C)=NC2=C1	REAL300000350679	0	37	-2.0	-102.57	357.54	4.19	-98.38
COC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C2SC(C)=NC2=C1	REAL300000350680	0	34	-2.0	-107.95	340.09	3.55	-104.40
COC1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C2SC(C)=NC2=C1	REAL300000350681	0	37	-2.0	-105.92	351.44	3.65	-102.27
COC1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C2SC(C)=NC2=C1	REAL300000350682	0	37	-2.0	-109.52	357.06	4.41	-105.11
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C2SC(C)=NC2=C1	REAL300000350683	0	37	-2.0	-98.98	352.96	4.56	-94.42
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C2SC(C)=NC2=C1	REAL300000350684	0	34	-2.0	-101.35	340.69	3.65	-97.70
COC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C2SC(C)=NC2=C1	REAL300000350685	0	37	-2.0	-103.11	354.84	4.58	-98.53
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C2SC(C)=NC2=C1	REAL300000350686	0	37	-2.0	-99.08	353.90	4.59	-94.49
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C2SC(C)=NC2=C1	REAL300000350687	0	38	-2.0	-112.07	358.15	2.22	-109.85
COC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C2SC(C)=NC2=C1	REAL300000350688	0	40	-2.0	-103.22	370.60	5.29	-97.93
COC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C2SC(C)=NC2=C1	REAL300000350689	0	40	-2.0	-108.45	358.47	5.15	-103.30
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C2SC(C)=NC2=C1	REAL300000350690	0	40	-2.0	-99.69	363.85	5.29	-94.40
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=C3N=C(C)SC3=C2)C=C1C(=O)[O-]	REAL300000350691	0	41	-2.0	-111.86	376.46	4.73	-107.13
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C2SC(C)=NC2=C1	REAL300000350692	0	40	-2.0	-101.26	368.51	5.16	-96.10
COC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C2SC(C)=NC2=C1	REAL300000350693	0	37	-2.0	-116.56	352.07	4.54	-112.02
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C2SC(C)=NC2=C1	REAL300000350694	0	36	-2.0	-110.19	344.64	2.63	-107.56
CCC1=C(S(=O)(=O)[N-]C2=C(OC)C=C3N=C(C)SC3=C2)C=C(C(=O)[O-])O1	REAL300000350695	0	40	-2.0	-105.69	370.57	4.50	-101.19
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000350696	0	39	-2.0	-115.34	356.68	5.40	-109.94
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000350697	0	39	-2.0	-104.15	352.12	5.38	-98.77
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000350698	0	39	-2.0	-116.05	352.14	5.37	-110.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)OC	REAL300000350699	0	43	-2.0	-120.32	380.30	5.17	-115.15
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000350700	0	43	-2.0	-102.89	383.59	6.67	-96.22
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000350701	0	42	-2.0	-119.40	369.14	5.90	-113.50
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000350702	0	39	-2.0	-110.14	365.23	5.94	-104.20
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000350703	0	39	-2.0	-113.84	364.66	5.76	-108.08
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000350704	0	45	-2.0	-116.94	385.26	6.71	-110.23
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000350705	0	39	-2.0	-112.99	357.64	5.43	-107.56
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000350706	0	45	-2.0	-101.96	395.71	6.96	-95.00
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000350707	0	36	-2.0	-110.56	345.33	4.39	-106.17
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000350708	0	42	-2.0	-115.01	367.57	6.16	-108.85
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000350709	0	43	-2.0	-101.49	383.22	5.66	-95.83
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000350710	0	40	-2.0	-114.69	358.78	4.72	-109.97
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000350711	0	43	-2.0	-115.41	375.92	4.20	-111.21
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000350712	0	39	-2.0	-107.87	361.25	5.06	-102.81
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000350713	0	45	-2.0	-116.57	388.20	6.69	-109.88
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000350714	0	36	-2.0	-111.78	343.79	4.41	-107.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)OC)C=C1C(=O)[O-]	REAL300000350715	0	43	-2.0	-121.82	379.43	5.44	-116.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)OC	REAL300000350716	0	45	-2.0	-111.21	376.12	7.01	-104.20
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000350717	0	39	-2.0	-108.73	355.17	4.52	-104.21
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000350718	0	43	-2.0	-118.94	381.11	4.46	-114.48
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000350719	0	42	-2.0	-106.00	372.87	6.20	-99.80
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000350720	0	39	-2.0	-111.56	360.79	5.27	-106.29
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000350721	0	39	-2.0	-101.04	365.20	5.93	-95.11
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000350722	0	39	-2.0	-103.64	356.67	5.41	-98.23
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000350723	0	36	-2.0	-106.42	344.40	4.50	-101.92
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000350724	0	39	-2.0	-108.76	358.56	5.44	-103.32
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000350725	0	42	-2.0	-114.71	377.90	6.07	-108.64
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000350726	0	39	-2.0	-104.13	357.61	5.44	-98.69
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000350727	0	39	-2.0	-101.71	364.64	5.77	-95.94
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000350728	0	40	-2.0	-113.21	361.85	3.09	-110.12
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000350729	0	42	-2.0	-107.08	374.31	6.16	-100.92
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000350730	0	42	-2.0	-114.78	363.42	5.93	-108.85
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000350731	0	42	-2.0	-117.02	376.98	6.02	-111.00
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000350732	0	42	-2.0	-103.29	367.57	6.15	-97.14
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000350733	0	45	-2.0	-118.59	386.27	6.37	-112.22
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000350734	0	45	-2.0	-119.55	385.65	6.78	-112.77
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000350735	0	42	-2.0	-114.99	378.32	6.00	-108.99
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000350736	0	42	-2.0	-124.89	377.17	6.06	-118.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)OC)C=C1C(=O)[O-]	REAL300000350737	0	45	-2.0	-120.21	387.43	6.50	-113.71
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)OC)C=C1C(=O)[O-]	REAL300000350738	0	43	-2.0	-115.99	380.17	5.59	-110.40
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000350739	0	42	-2.0	-105.27	372.41	5.91	-99.36
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000350740	0	42	-2.0	-112.34	371.67	6.20	-106.14
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000350741	0	39	-2.0	-123.89	355.78	5.40	-118.49
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000350742	0	42	-2.0	-107.18	374.59	5.88	-101.30
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000350743	0	38	-2.0	-116.07	348.36	3.49	-112.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)OC	REAL300000350744	0	43	-2.0	-107.95	380.35	5.17	-102.78
CON(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000350745	0	36	-2.0	-103.47	352.26	4.34	-99.13
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)OC)C=C(C(=O)[O-])O1	REAL300000350746	0	42	-2.0	-106.88	369.32	5.33	-101.55
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C=C1C(=O)[O-]	REAL300000350747	0	43	-2.0	-115.29	370.35	5.31	-109.98
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000350749	0	38	-2.0	-122.35	352.31	5.46	-116.89
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000350751	1	41	-2.0	-121.27	366.80	6.52	-114.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])S1	REAL300000350754	0	41	-2.0	-124.24	374.22	6.25	-117.99
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000350757	0	41	-2.0	-129.96	365.87	6.52	-123.44
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])C=N1	REAL300000350758	0	41	-2.0	-120.72	364.93	4.17	-116.55
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000350759	0	38	-2.0	-117.33	341.97	2.86	-114.47
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000350760	0	40	-2.0	-114.77	361.80	4.73	-110.04
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])=C1	REAL300000350761	0	41	-2.0	-132.85	364.41	5.54	-127.31
CC1=NC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])=CN1C	REAL300000350762	0	44	-2.0	-134.66	383.92	5.35	-129.31
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])C=N1	REAL300000350763	0	44	-2.0	-121.00	386.47	5.02	-115.98
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C=C1C(=O)[O-]	REAL300000350764	0	41	-2.0	-118.43	360.77	3.51	-114.92
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])=N1	REAL300000350767	0	41	-2.0	-131.14	365.24	3.98	-127.16
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C=C1C(=O)[O-]	REAL300000350768	0	41	-2.0	-116.12	360.62	4.10	-112.02
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000350772	0	38	-2.0	-130.92	338.57	3.75	-127.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])SC=C1	REAL300000350774	0	41	-2.0	-123.74	368.61	6.28	-117.46
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])S1	REAL300000350784	0	40	-2.0	-120.56	368.92	4.28	-116.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])=C(C)O1	REAL300000350788	0	44	-2.0	-121.52	383.34	6.02	-115.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])O1	REAL300000350789	0	41	-2.0	-124.40	364.98	5.27	-119.13
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000350790	0	38	-2.0	-123.07	343.08	4.44	-118.63
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C=C1C(=O)[O-]	REAL300000350791	0	40	-2.0	-110.56	354.85	2.87	-107.69
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])C(N)=NO1	REAL300000350795	0	42	-2.0	-114.01	367.92	3.83	-110.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])C=N1	REAL300000350797	1	43	-2.0	-121.76	376.98	5.28	-116.48
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])N(C)N=C1	REAL300000350800	0	44	-2.0	-117.31	377.25	4.92	-112.39
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])O1	REAL300000350801	0	39	-2.0	-114.50	364.31	4.99	-109.51
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000350802	1	38	-2.0	-121.03	348.37	5.26	-115.77
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000350803	0	38	-2.0	-120.43	342.92	4.34	-116.09
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])=C1	REAL300000350804	0	41	-2.0	-123.21	373.96	6.11	-117.10
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])=C1	REAL300000350805	0	40	-2.0	-116.72	368.89	4.74	-111.98
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000350808	0	38	-2.0	-124.83	342.02	3.02	-121.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])C=NN1C	REAL300000350811	0	44	-2.0	-119.92	381.05	4.69	-115.23
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C=C1C(=O)[O-]	REAL300000350812	0	44	-2.0	-122.10	383.77	4.82	-117.28
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C=C1C(=O)[O-]	REAL300000350815	0	40	-2.0	-113.33	357.33	4.41	-108.92
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000350816	0	40	-2.0	-127.72	360.89	4.64	-123.08
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000350818	1	40	-2.0	-112.90	361.79	4.62	-108.28
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])N1C	REAL300000350819	0	44	-2.0	-122.58	379.76	5.42	-117.16
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])C=N1	REAL300000350820	0	41	-2.0	-116.33	365.60	3.81	-112.52
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000350821	0	37	-2.0	-115.41	347.13	4.16	-111.25
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])N=N1	REAL300000350822	0	40	-2.0	-125.94	359.19	2.77	-123.17
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(N2CCSCC2)C=C1C(=O)[O-]	REAL300000350823	0	43	-2.0	-111.18	375.61	3.79	-107.39
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])N=CN1	REAL300000350824	0	41	-2.0	-132.05	359.50	4.55	-127.50
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])=C1	REAL300000350826	0	44	-2.0	-117.96	382.57	4.66	-113.30
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])O1	REAL300000350828	0	44	-2.0	-124.47	386.47	6.05	-118.42
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])=N1	REAL300000350829	0	43	-2.0	-122.16	381.10	3.32	-118.84
CC1=COC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])=C1	REAL300000350830	0	41	-2.0	-123.51	364.97	5.12	-118.39
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])OC=C1	REAL300000350831	0	39	-2.0	-120.91	364.55	4.89	-116.02
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2C(=O)[O-])C=CO1	REAL300000350832	0	39	-2.0	-123.47	363.34	4.87	-118.60
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000350834	0	37	-2.0	-113.26	346.04	4.07	-109.19
O=C([O-])C1=CC(N2CCSCC2)=CC=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000350835	0	37	-2.0	-118.23	346.97	3.57	-114.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=CC=C1F	REAL300000350836	0	37	-2.0	-117.73	353.44	5.87	-111.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C1	REAL300000350837	0	37	-2.0	-107.23	348.89	5.84	-101.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=C1	REAL300000350838	0	37	-2.0	-120.11	348.90	5.83	-114.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=NC=C2)C=C1	REAL300000350839	0	41	-2.0	-126.35	377.04	5.65	-120.70
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C1	REAL300000350840	0	41	-2.0	-106.78	380.35	7.13	-99.65
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300000350841	0	40	-2.0	-121.96	364.92	6.37	-115.59
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=C1	REAL300000350842	0	37	-2.0	-115.89	361.97	6.40	-109.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=CC=C1Cl	REAL300000350843	0	37	-2.0	-116.28	361.42	6.23	-110.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=C1C	REAL300000350844	0	43	-2.0	-123.41	382.01	7.15	-116.26
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=C1	REAL300000350845	0	37	-2.0	-117.88	354.38	5.90	-111.98
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C1	REAL300000350846	0	43	-2.0	-106.20	392.49	7.43	-98.77
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=C1	REAL300000350847	0	34	-2.0	-114.21	342.09	4.86	-109.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=NC=C2)C=C1	REAL300000350848	0	40	-2.0	-121.48	364.33	6.61	-114.87
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C1	REAL300000350849	0	41	-2.0	-105.42	379.97	6.12	-99.30
CN1C=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300000350850	0	38	-2.0	-118.38	355.55	5.18	-113.20
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=NC=C2)C=C1	REAL300000350851	0	41	-2.0	-121.74	373.11	4.65	-117.09
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=C1	REAL300000350852	0	37	-2.0	-110.43	358.02	5.52	-104.91
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300000350853	0	43	-2.0	-122.83	380.36	7.15	-115.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=CS1	REAL300000350854	0	34	-2.0	-115.57	340.55	4.87	-110.70
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300000350855	0	41	-2.0	-126.53	376.20	5.90	-120.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=NC=C2)C=C1	REAL300000350856	0	43	-2.0	-119.68	379.05	7.56	-112.12
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=C1	REAL300000350857	0	44	-2.0	-125.99	393.15	7.72	-118.27
CC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000350858	0	37	-2.0	-113.99	351.91	4.98	-109.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=C1	REAL300000350859	0	41	-2.0	-120.90	377.82	4.94	-115.96
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=NC=C2)C=C1	REAL300000350860	0	40	-2.0	-111.69	369.61	6.65	-105.04
CC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000350861	0	37	-2.0	-117.65	357.53	5.73	-111.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C(Cl)=C1	REAL300000350862	0	37	-2.0	-104.57	361.95	6.39	-98.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C1F	REAL300000350863	0	37	-2.0	-106.44	353.44	5.88	-100.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)S1	REAL300000350864	0	34	-2.0	-109.12	341.16	4.97	-104.15
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=C1	REAL300000350865	0	37	-2.0	-111.15	355.31	5.90	-105.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=C1F	REAL300000350866	0	40	-2.0	-119.41	374.66	6.54	-112.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C(F)=C1	REAL300000350867	0	37	-2.0	-106.72	354.37	5.91	-100.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C1Cl	REAL300000350868	0	37	-2.0	-104.60	361.41	6.24	-98.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=CC(F)=C1F	REAL300000350869	0	37	-2.0	-108.60	359.72	5.93	-102.67
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=C1	REAL300000350870	0	38	-2.0	-120.48	358.62	3.56	-116.92
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C1	REAL300000350871	0	40	-2.0	-111.44	371.09	6.62	-104.82
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CC2=CC=NC=C2)C=C1	REAL300000350872	0	40	-2.0	-116.05	358.97	6.46	-109.59
CC1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000350873	0	40	-2.0	-118.68	373.74	6.49	-112.19
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC2=CC=NC=C2)C=C1	REAL300000350874	0	40	-2.0	-107.38	364.31	6.60	-100.78
CC1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000350875	0	43	-2.0	-123.36	382.37	6.92	-116.44
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=C1	REAL300000350876	0	37	-2.0	-109.25	360.64	5.96	-103.29
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C(C)=C1C(=O)[O-]	REAL300000350877	0	43	-2.0	-120.33	383.38	7.21	-113.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300000350878	0	40	-2.0	-119.17	370.38	6.44	-112.73
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=C1	REAL300000350879	0	40	-2.0	-124.88	373.94	6.53	-118.35
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300000350880	0	43	-2.0	-122.68	383.23	7.02	-115.66
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300000350881	0	41	-2.0	-120.14	376.93	6.06	-114.08
CC1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300000350882	0	40	-2.0	-107.37	364.91	6.38	-100.99
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=NC=C2)C=C1	REAL300000350883	0	40	-2.0	-118.52	368.86	6.65	-111.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=NC=C3)C=C2)=C1F	REAL300000350884	0	37	-2.0	-124.10	352.54	5.86	-118.24
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CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=N3)C=C2)=C1	REAL300000350908	0	37	-2.0	-111.67	357.81	5.49	-106.18
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000350909	0	43	-2.0	-123.47	380.15	7.11	-116.36
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COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000350911	0	41	-2.0	-128.08	375.98	5.87	-122.21
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CC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000350917	0	37	-2.0	-118.15	358.38	5.68	-112.47
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CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CC=N2)C=C1	REAL300000350928	0	40	-2.0	-118.04	358.77	6.44	-111.60
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CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CC=N2)C=C1	REAL300000350930	0	40	-2.0	-108.50	364.11	6.57	-101.93
CC1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=N3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000350931	0	43	-2.0	-124.59	382.16	6.88	-117.71
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CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=N3)C=C2)C(C)=C1C(=O)[O-]	REAL300000350933	0	43	-2.0	-122.23	383.18	7.19	-115.04
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000350934	0	40	-2.0	-120.08	370.17	6.41	-113.67
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=N3)C=C2)=C1	REAL300000350935	0	40	-2.0	-127.19	373.71	6.49	-120.70
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000350936	0	43	-2.0	-123.36	382.93	6.99	-116.37
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000350937	0	41	-2.0	-120.96	376.72	6.02	-114.94
CC1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=N3)C=C2)=CC=C1C(=O)[O-]	REAL300000350938	0	40	-2.0	-108.68	364.70	6.34	-102.34
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CC=N2)C=C1	REAL300000350939	0	40	-2.0	-119.09	368.66	6.62	-112.47
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CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000350941	0	40	-2.0	-112.86	369.86	6.37	-106.49
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COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CC=N2)C=C1	REAL300000350943	0	41	-2.0	-113.07	376.90	5.61	-107.46
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CCC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000350947	0	40	-2.0	-114.54	370.82	5.80	-108.74
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COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CN=C2)C=C1	REAL300000350951	0	41	-2.0	-124.96	377.00	5.63	-119.33
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CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C=C1C(=O)[O-]	REAL300000350953	0	40	-2.0	-121.47	368.94	6.47	-115.00
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CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=C1C	REAL300000350956	0	43	-2.0	-121.98	381.96	7.14	-114.84
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CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CN=C2)C=C1	REAL300000350960	0	40	-2.0	-120.04	364.29	6.59	-113.45
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CN1C=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C=C1C(=O)[O-]	REAL300000350962	0	38	-2.0	-117.26	355.50	5.17	-112.09
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CN=C2)C=C1	REAL300000350963	0	41	-2.0	-120.36	373.07	4.63	-115.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=C1	REAL300000350964	0	37	-2.0	-109.33	357.98	5.51	-103.82
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C=C1C(=O)[O-]	REAL300000350965	0	43	-2.0	-121.44	380.31	7.13	-114.31
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COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C=C1C(=O)[O-]	REAL300000350967	0	41	-2.0	-125.31	376.14	5.89	-119.42
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CN=C2)C=C1	REAL300000350968	0	43	-2.0	-118.22	379.01	7.54	-110.68
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CC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000350970	0	37	-2.0	-112.64	351.86	4.97	-107.67
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=C1	REAL300000350971	0	41	-2.0	-120.13	377.84	4.91	-115.22
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CN=C2)C=C1	REAL300000350972	0	40	-2.0	-110.32	369.58	6.62	-103.70
CC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000350973	0	37	-2.0	-116.31	357.48	5.71	-110.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C(Cl)=C1	REAL300000350974	0	37	-2.0	-103.50	361.91	6.37	-97.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C=C1F	REAL300000350975	0	37	-2.0	-105.48	353.38	5.86	-99.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)S1	REAL300000350976	0	34	-2.0	-108.02	341.11	4.95	-103.07
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=C1	REAL300000350977	0	37	-2.0	-109.97	355.26	5.89	-104.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=C1F	REAL300000350978	0	40	-2.0	-118.13	374.62	6.52	-111.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C(F)=C1	REAL300000350979	0	37	-2.0	-105.67	354.32	5.89	-99.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C=C1Cl	REAL300000350980	0	37	-2.0	-103.55	361.35	6.22	-97.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=CC(F)=C1F	REAL300000350981	0	37	-2.0	-107.45	359.68	5.91	-101.54
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=C1	REAL300000350982	0	38	-2.0	-118.94	358.57	3.54	-115.40
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C=C1	REAL300000350983	0	40	-2.0	-110.13	371.04	6.61	-103.52
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CN=C2)C=C1	REAL300000350984	0	40	-2.0	-115.15	358.93	6.45	-108.70
CC1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000350985	0	40	-2.0	-117.57	373.70	6.47	-111.10
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CN=C2)C=C1	REAL300000350986	0	40	-2.0	-106.20	364.27	6.58	-99.62
CC1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000350987	0	43	-2.0	-122.22	382.31	6.90	-115.32
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=C1	REAL300000350988	0	37	-2.0	-107.97	360.59	5.95	-102.02
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C(C)=C1C(=O)[O-]	REAL300000350989	0	43	-2.0	-119.36	383.34	7.20	-112.16
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C=C1C(=O)[O-]	REAL300000350990	0	40	-2.0	-117.83	370.33	6.42	-111.41
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=C1	REAL300000350991	0	40	-2.0	-124.03	373.89	6.51	-117.52
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C=C1C(=O)[O-]	REAL300000350992	0	43	-2.0	-121.05	382.80	7.01	-114.04
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C=C1C(=O)[O-]	REAL300000350993	0	41	-2.0	-118.57	376.89	6.04	-112.53
CC1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=CC=C1C(=O)[O-]	REAL300000350994	0	40	-2.0	-106.29	364.87	6.37	-99.92
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CN=C2)C=C1	REAL300000350995	0	40	-2.0	-117.06	368.81	6.62	-110.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=C1F	REAL300000350996	0	37	-2.0	-123.23	352.50	5.85	-117.38
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C=C1C(=O)[O-]	REAL300000350997	0	40	-2.0	-110.53	370.02	6.39	-104.14
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=C1	REAL300000350998	0	36	-2.0	-116.66	345.85	3.87	-112.79
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CN=C2)C=C1	REAL300000350999	0	41	-2.0	-110.61	377.06	5.63	-104.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)=C(Cl)O1	REAL300000351000	0	34	-2.0	-106.38	348.96	4.78	-101.60
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN(CC4=CC=CN=C4)C=C3)C=C2)CC1	REAL300000351001	0	44	-2.0	-112.86	394.99	7.71	-105.15
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN(CC4=CC=CN=C4)C=C3)C=C2C1	REAL300000351002	0	44	-2.0	-116.42	394.30	7.72	-108.70
CCC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CN=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000351003	0	40	-2.0	-112.51	370.98	5.81	-106.70
CNC1=CC=C(S(=O)(=O)NC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000351004	1	41	-2.0	-100.99	376.08	0.14	-100.85
CNC1=CC=C(S(=O)(=O)NC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000351005	1	41	-2.0	-114.95	376.07	0.14	-114.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=CC=C1F	REAL300000351006	0	37	-2.0	-110.65	346.02	5.69	-104.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1	REAL300000351007	0	37	-2.0	-104.28	341.51	5.67	-98.61
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C1	REAL300000351008	0	37	-2.0	-113.43	341.49	5.66	-107.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1CCOC1=O	REAL300000351009	0	41	-2.0	-126.03	369.63	5.46	-120.57
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1	REAL300000351010	0	41	-2.0	-104.23	372.98	6.96	-97.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1C(=O)[O-]	REAL300000351011	0	40	-2.0	-114.55	357.51	6.20	-108.35
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C1	REAL300000351012	0	37	-2.0	-115.20	354.56	6.24	-108.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=CC=C1Cl	REAL300000351013	0	37	-2.0	-109.22	353.99	6.06	-103.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C1C	REAL300000351014	0	43	-2.0	-115.20	374.64	6.98	-108.22
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C1	REAL300000351015	0	37	-2.0	-116.75	346.96	5.73	-111.02
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1	REAL300000351016	0	43	-2.0	-103.05	385.06	7.25	-95.80
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C1	REAL300000351017	0	34	-2.0	-114.20	334.67	4.68	-109.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1CCOC1=O	REAL300000351018	0	40	-2.0	-121.83	356.92	6.44	-115.39
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1	REAL300000351019	1	41	-2.0	-102.32	372.60	5.95	-96.37
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1C(=O)[O-]	REAL300000351020	0	38	-2.0	-112.35	348.12	5.01	-107.34
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1CCOC1=O	REAL300000351021	1	41	-2.0	-122.48	365.27	4.49	-117.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C1	REAL300000351022	0	37	-2.0	-105.83	350.59	5.35	-100.48
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1C(=O)[O-]	REAL300000351023	1	43	-2.0	-123.29	372.93	6.98	-116.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=CS1	REAL300000351024	0	34	-2.0	-109.73	333.13	4.70	-105.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1C(=O)[O-]	REAL300000351025	1	41	-2.0	-119.06	368.76	5.73	-113.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1CCOC1=O	REAL300000351026	0	43	-2.0	-120.26	364.21	7.14	-113.12
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C(C(=O)[O-])O1	REAL300000351027	0	37	-2.0	-113.67	344.49	4.80	-108.87
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C1	REAL300000351028	0	41	-2.0	-114.34	370.47	4.75	-109.59
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1CCOC1=O	REAL300000351029	0	40	-2.0	-111.49	362.19	6.47	-105.02
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C(C(=O)[O-])S1	REAL300000351030	0	37	-2.0	-117.74	350.11	5.56	-112.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C(Cl)=C1	REAL300000351031	0	37	-2.0	-101.60	354.58	6.23	-95.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1F	REAL300000351032	0	37	-2.0	-104.39	346.00	5.70	-98.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)S1	REAL300000351033	0	34	-2.0	-104.79	333.74	4.79	-100.00
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C1	REAL300000351034	0	37	-2.0	-111.13	347.89	5.73	-105.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C1F	REAL300000351035	0	40	-2.0	-113.77	367.28	6.36	-107.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C(F)=C1	REAL300000351036	0	37	-2.0	-104.67	346.99	5.74	-98.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1Cl	REAL300000351037	0	37	-2.0	-102.20	353.97	6.07	-96.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=CC(F)=C1F	REAL300000351038	0	37	-2.0	-103.08	352.30	5.76	-97.32
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C1	REAL300000351039	0	38	-2.0	-120.24	351.20	3.37	-116.87
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1	REAL300000351040	0	40	-2.0	-108.06	363.66	6.44	-101.62
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1CCOC1=O	REAL300000351041	0	40	-2.0	-109.52	351.52	6.30	-103.22
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=CC(C(=O)[O-])=C1F	REAL300000351042	0	40	-2.0	-120.07	366.32	6.32	-113.75
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1CCOC1=O	REAL300000351043	1	40	-2.0	-105.17	356.90	6.44	-98.73
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=CC(C(=O)[O-])=C1C	REAL300000351044	0	43	-2.0	-116.60	374.36	6.73	-109.87
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C1	REAL300000351045	0	37	-2.0	-104.86	353.26	5.79	-99.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C(C)=C1C(=O)[O-]	REAL300000351046	1	43	-2.0	-113.72	375.96	7.04	-106.68
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1C(=O)[O-]	REAL300000351047	0	40	-2.0	-118.12	362.96	6.26	-111.86
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C1	REAL300000351048	0	40	-2.0	-126.75	366.56	6.36	-120.39
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1C(=O)[O-]	REAL300000351049	0	43	-2.0	-123.47	375.77	6.84	-116.63
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1C(=O)[O-]	REAL300000351050	0	41	-2.0	-113.57	369.51	5.88	-107.69
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=CC=C1C(=O)[O-]	REAL300000351051	0	40	-2.0	-105.55	361.54	6.31	-99.24
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1CCOC1=O	REAL300000351052	1	40	-2.0	-119.17	361.44	6.48	-112.69
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C1F	REAL300000351053	0	37	-2.0	-116.62	345.12	5.69	-110.93
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C1C(=O)[O-]	REAL300000351054	0	40	-2.0	-105.97	362.65	6.24	-99.73
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C1	REAL300000351055	0	36	-2.0	-112.62	337.70	3.78	-108.84
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1CCOC1=O	REAL300000351056	0	41	-2.0	-107.43	369.73	5.46	-101.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)=C(Cl)O1	REAL300000351057	0	34	-2.0	-106.25	341.59	4.63	-101.62
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CCOC2=O)C=C(C(=O)[O-])O1	REAL300000351058	0	40	-2.0	-113.92	360.05	5.54	-108.38
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000351059	0	35	-2.0	-105.13	324.08	7.05	-98.08
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000351060	0	35	-2.0	-95.44	319.52	7.02	-88.42
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000351061	0	35	-2.0	-107.61	319.54	7.01	-100.60
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1OC(F)F	REAL300000351062	0	39	-2.0	-112.55	347.69	6.71	-105.84
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000351063	0	39	-2.0	-94.48	350.99	8.32	-86.16
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000351064	0	38	-2.0	-108.70	335.56	7.55	-101.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)=C1C	REAL300000351065	0	41	-2.0	-110.04	351.95	8.29	-101.75
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000351066	0	35	-2.0	-104.70	325.03	7.09	-97.61
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000351067	0	41	-2.0	-93.72	363.11	8.61	-85.11
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000351068	0	32	-2.0	-102.20	312.73	6.07	-96.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1OC(F)F	REAL300000351069	0	38	-2.0	-108.02	334.99	7.76	-100.26
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000351070	0	39	-2.0	-93.25	350.61	7.30	-85.95
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000351071	0	36	-2.0	-105.99	326.19	6.40	-99.59
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1OC(F)F	REAL300000351072	0	39	-2.0	-108.46	343.75	5.79	-102.67
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)=C1	REAL300000351073	0	35	-2.0	-98.44	328.65	6.74	-91.70
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000351074	0	41	-2.0	-109.28	351.01	8.29	-100.99
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000351075	0	32	-2.0	-103.29	311.19	6.08	-97.21
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000351076	0	39	-2.0	-113.58	346.83	7.08	-106.50
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000351077	0	44	-2.0	-110.03	373.45	9.01	-101.02
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1OC(F)F	REAL300000351078	0	41	-2.0	-106.14	346.08	8.55	-97.59
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000351079	0	42	-2.0	-112.47	363.80	8.91	-103.56
CC1=C(S(=O)(=O)[N-]C2=C(OC(F)F)C=CC=C2C)C=C(C(=O)[O-])O1	REAL300000351080	0	35	-2.0	-101.82	322.55	6.17	-95.65
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)=C1	REAL300000351081	0	39	-2.0	-108.54	348.51	6.00	-102.54
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000351082	0	38	-2.0	-99.07	340.26	7.79	-91.28
CC1=C(S(=O)(=O)[N-]C2=C(OC(F)F)C=CC=C2C)C=C(C(=O)[O-])S1	REAL300000351083	0	35	-2.0	-104.69	328.15	6.90	-97.79
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000351084	0	35	-2.0	-92.84	332.60	7.57	-85.27
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000351085	0	35	-2.0	-95.02	324.08	7.06	-87.96
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000351086	0	32	-2.0	-97.17	311.82	6.19	-90.98
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000351087	0	35	-2.0	-98.73	325.96	7.08	-91.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)=C1F	REAL300000351088	0	38	-2.0	-106.23	345.30	7.72	-98.51
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000351089	0	35	-2.0	-95.00	325.01	7.10	-87.90
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000351090	0	35	-2.0	-93.02	332.05	7.42	-85.60
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000351091	0	36	-2.0	-106.97	329.26	4.63	-102.34
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000351092	0	38	-2.0	-98.73	341.71	7.80	-90.93
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000351093	0	38	-2.0	-103.71	329.59	7.61	-96.10
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)=CC(C(=O)[O-])=C1F	REAL300000351094	0	38	-2.0	-106.61	344.38	7.67	-98.94
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1OC(F)F	REAL300000351095	0	38	-2.0	-95.51	334.97	7.74	-87.77
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)=CC(C(=O)[O-])=C1C	REAL300000351096	0	41	-2.0	-112.08	357.04	8.22	-103.86
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000351097	0	35	-2.0	-96.67	331.31	7.15	-89.52
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000351098	0	41	-2.0	-107.84	354.03	8.36	-99.48
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000351099	0	38	-2.0	-106.99	344.86	7.72	-99.27
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)=C1	REAL300000351100	0	38	-2.0	-112.69	344.58	7.72	-104.97
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000351101	0	41	-2.0	-109.51	353.78	8.20	-101.31
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000351102	0	39	-2.0	-107.28	347.56	7.28	-100.00
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000351103	0	38	-2.0	-95.56	335.55	7.56	-88.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1OC(F)F	REAL300000351104	0	38	-2.0	-105.62	339.50	7.79	-97.83
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000351105	0	35	-2.0	-111.67	323.20	7.05	-104.62
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000351106	0	38	-2.0	-100.54	344.48	7.69	-92.85
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000351107	0	34	-2.0	-105.60	315.76	5.17	-100.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1OC(F)F	REAL300000351108	0	39	-2.0	-99.54	347.75	6.71	-92.83
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000351109	0	32	-2.0	-95.79	319.70	6.02	-89.77
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000351110	0	42	-2.0	-101.70	365.67	8.90	-92.80
CC1=CC=CC(OC(F)F)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000351111	0	42	-2.0	-104.02	364.98	8.91	-95.11
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000351112	0	38	-2.0	-101.51	339.69	6.95	-94.56
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000351113	1	38	-2.0	-109.20	350.78	3.31	-105.89
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000351115	1	38	-2.0	-111.78	346.26	3.28	-108.50
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCC(N)=O)C=C1	REAL300000351116	0	42	-2.0	-117.33	374.39	3.09	-114.24
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000351117	1	42	-2.0	-98.23	377.69	4.59	-93.64
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000351119	0	38	-2.0	-107.29	359.31	3.86	-103.43
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000351120	1	38	-2.0	-107.55	358.75	3.67	-103.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)=C1C	REAL300000351121	1	44	-2.0	-113.53	378.64	4.60	-108.93
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000351122	0	38	-2.0	-108.92	351.72	3.35	-105.57
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000351123	1	44	-2.0	-97.68	389.81	4.87	-92.81
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000351124	0	35	-2.0	-105.02	339.43	2.31	-102.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCC(N)=O)C=C1	REAL300000351125	1	41	-2.0	-112.93	361.68	4.07	-108.86
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000351127	1	39	-2.0	-110.02	352.89	2.64	-107.38
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)=C1	REAL300000351129	0	38	-2.0	-101.35	355.35	2.97	-98.38
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000351131	0	35	-2.0	-107.32	337.90	2.32	-105.00
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCC(N)=O)C=C1	REAL300000351133	1	47	-2.0	-115.22	400.14	5.29	-109.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCC(N)=O)C=C1	REAL300000351134	1	44	-2.0	-111.29	376.38	5.01	-106.28
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCC(N)=O)C=C1	REAL300000351135	0	45	-2.0	-117.67	396.68	3.85	-113.82
NC(=O)CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000351136	0	41	-2.0	-107.85	381.21	3.73	-104.12
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000351136	1	40	-3.0	-186.01	374.65	3.86	-182.15
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000351137	1	45	-2.0	-115.86	390.49	5.19	-110.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000351138	0	38	-2.0	-105.50	349.28	2.43	-103.07
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)=C1	REAL300000351139	0	42	-2.0	-112.78	375.21	2.38	-110.40
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCC(N)=O)C=C1	REAL300000351141	1	41	-2.0	-103.24	366.95	4.11	-99.13
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000351142	1	42	-2.0	-96.55	383.54	3.63	-92.92
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)C=C(C(=O)[O-])S1	REAL300000351144	1	38	-2.0	-109.25	354.84	3.18	-106.07
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000351145	0	38	-2.0	-96.27	359.30	3.85	-92.42
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000351146	1	38	-2.0	-98.08	350.78	3.33	-94.75
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000351147	0	35	-2.0	-100.18	338.50	2.41	-97.77
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000351148	1	38	-2.0	-102.47	352.65	3.36	-99.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)=C1F	REAL300000351149	0	41	-2.0	-110.35	372.01	3.99	-106.36
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000351150	0	38	-2.0	-97.90	351.71	3.36	-94.54
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000351151	1	38	-2.0	-96.12	358.75	3.69	-92.43
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCC(N)=O)C=C1	REAL300000351152	1	41	-2.0	-105.02	375.69	4.48	-100.54
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000351153	1	38	-2.0	-99.63	357.07	3.39	-96.24
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000351154	1	40	-2.0	-95.65	374.44	3.96	-91.69
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000351155	0	39	-2.0	-111.72	355.96	1.00	-110.72
NC(=O)CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000351155	1	39	-2.0	-105.61	355.15	1.79	-103.82
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000351156	1	41	-2.0	-102.34	368.41	4.07	-98.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CCC(N)=O)C=C1	REAL300000351157	1	41	-2.0	-108.68	360.06	4.03	-104.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)=CC(C(=O)[O-])=C1F	REAL300000351158	1	41	-2.0	-109.31	371.08	3.94	-105.37
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000351161	0	40	-2.0	-108.61	372.82	4.38	-104.23
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000351162	0	38	-2.0	-100.31	357.99	3.42	-96.89
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000351164	0	41	-2.0	-109.20	367.72	3.89	-105.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)=C1Cl	REAL300000351165	0	41	-2.0	-109.07	377.99	4.43	-104.64
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)=C1	REAL300000351166	0	41	-2.0	-116.54	371.26	3.98	-112.56
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(CCC(N)=O)C=C1	REAL300000351169	1	41	-2.0	-100.90	376.78	4.55	-96.35
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000351170	1	41	-2.0	-108.10	377.47	4.25	-103.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000351171	1	42	-2.0	-111.36	374.27	3.51	-107.85
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000351172	1	41	-2.0	-105.06	380.03	4.35	-100.71
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000351175	0	40	-2.0	-117.27	370.00	5.15	-112.12
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000351176	0	38	-2.0	-114.47	349.90	3.32	-111.15
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000351177	1	41	-2.0	-103.27	371.21	3.96	-99.31
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000351178	1	44	-2.0	-120.16	387.29	5.42	-114.74
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000351179	0	37	-2.0	-109.26	342.45	1.41	-107.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CCC(N)=O)C=C1	REAL300000351180	0	42	-2.0	-102.98	374.45	3.09	-99.89
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000351181	0	35	-2.0	-99.11	346.39	2.27	-96.84
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000351182	1	45	-2.0	-104.74	390.22	5.11	-99.63
NC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000351183	1	45	-2.0	-107.78	391.70	5.17	-102.61
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CCC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000351184	0	41	-2.0	-105.52	368.37	3.29	-102.23
COC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000351189	0	31	-2.0	-91.47	313.96	2.39	-89.08
COC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000351190	0	31	-2.0	-103.49	313.98	2.38	-101.11
COC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000351191	0	28	-2.0	-98.07	307.17	1.40	-96.67
COC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000351192	0	32	-2.0	-101.93	320.63	1.73	-100.20
COC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000351193	0	28	-2.0	-99.47	305.63	1.42	-98.05
COC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000351194	0	31	-2.0	-97.48	316.99	1.53	-95.95
COC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000351195	0	28	-2.0	-93.14	306.23	1.51	-91.63
COC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000351196	0	30	-2.0	-100.36	310.96	0.44	-99.92
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000351197	1	40	-2.0	-105.72	361.03	6.56	-99.16
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000351198	1	40	-2.0	-95.91	356.47	6.54	-89.37
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000351199	1	40	-2.0	-108.25	356.49	6.53	-101.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C(C)C)C2=C1	REAL300000351200	0	44	-2.0	-113.31	384.64	6.33	-106.98
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C21	REAL300000351201	1	44	-2.0	-95.46	387.94	7.83	-87.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)C=C1C(=O)[O-]	REAL300000351202	1	43	-2.0	-109.40	372.52	7.07	-102.33
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C21	REAL300000351203	0	40	-2.0	-103.54	369.57	7.11	-96.43
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000351204	1	40	-2.0	-104.10	369.00	6.93	-97.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)=C1C	REAL300000351205	1	46	-2.0	-110.60	388.89	7.85	-102.75
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000351206	0	40	-2.0	-105.15	361.97	6.60	-98.55
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C21	REAL300000351207	1	46	-2.0	-94.55	400.06	8.12	-86.43
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000351208	0	37	-2.0	-102.57	349.68	5.56	-97.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C(C)C)C2=C1	REAL300000351209	1	43	-2.0	-108.70	371.93	7.32	-101.38
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C21	REAL300000351210	1	44	-2.0	-94.15	387.56	6.82	-87.33
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C21	REAL300000351211	0	41	-2.0	-106.67	363.13	5.89	-100.78
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)=C1	REAL300000351213	0	40	-2.0	-98.70	365.61	6.22	-92.48
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)C=C1C(=O)[O-]	REAL300000351214	1	46	-2.0	-109.92	387.96	7.86	-102.06
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000351215	0	37	-2.0	-104.05	348.14	5.58	-98.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)C=C1C(=O)[O-]	REAL300000351216	1	44	-2.0	-114.12	383.77	6.60	-107.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C(C)C)C2=C1	REAL300000351217	1	46	-2.0	-106.96	386.64	8.27	-98.69
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C21	REAL300000351218	1	47	-2.0	-112.90	400.74	8.44	-104.46
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)C=C(C(=O)[O-])O1	REAL300000351219	0	40	-2.0	-101.95	359.50	5.68	-96.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)=C1	REAL300000351220	0	44	-2.0	-109.42	385.48	5.62	-103.80
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C(C)C)C2=C1	REAL300000351221	1	43	-2.0	-99.39	377.20	7.35	-92.04
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)C=C(C(=O)[O-])S1	REAL300000351222	0	40	-2.0	-105.24	365.09	6.42	-98.82
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C21	REAL300000351223	0	40	-2.0	-93.54	369.55	7.09	-86.45
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000351224	1	40	-2.0	-95.42	361.03	6.57	-88.85
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000351225	0	37	-2.0	-97.51	348.76	5.66	-91.85
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000351226	1	40	-2.0	-99.18	362.90	6.60	-92.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)=C1F	REAL300000351227	0	43	-2.0	-106.60	382.25	7.24	-99.36
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000351228	0	40	-2.0	-95.37	361.96	6.60	-88.77
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C21	REAL300000351229	1	40	-2.0	-93.47	369.00	6.94	-86.53
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000351230	1	40	-2.0	-97.36	367.31	6.63	-90.73
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000351231	0	41	-2.0	-107.43	366.21	4.25	-103.18
CC(C)N1N=CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000351231	1	41	-2.0	-106.94	365.44	5.04	-101.90
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000351232	1	43	-2.0	-99.07	378.66	7.32	-91.75
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C(C)C)C2=C1	REAL300000351233	1	43	-2.0	-104.77	366.56	7.17	-97.60
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000351234	1	43	-2.0	-107.10	381.33	7.18	-99.92
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C(C)C)C2=C1	REAL300000351235	1	43	-2.0	-96.03	371.90	7.31	-88.72
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000351236	1	46	-2.0	-112.76	393.30	7.70	-105.06
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C21	REAL300000351237	0	40	-2.0	-96.93	368.25	6.66	-90.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)C(C)=C1C(=O)[O-]	REAL300000351238	1	46	-2.0	-109.01	390.97	7.92	-101.09
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)C=C1C(=O)[O-]	REAL300000351239	0	43	-2.0	-106.26	377.97	7.13	-99.13
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)=C1	REAL300000351240	0	43	-2.0	-113.59	381.53	7.23	-106.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)C=C1C(=O)[O-]	REAL300000351241	1	46	-2.0	-110.04	390.43	7.72	-102.32
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)C=C1C(=O)[O-]	REAL300000351242	0	44	-2.0	-107.92	384.51	6.75	-101.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)=CC=C1C(=O)[O-]	REAL300000351243	1	43	-2.0	-96.03	372.50	7.08	-88.95
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C(C)C)C2=C1	REAL300000351244	1	43	-2.0	-106.05	376.45	7.36	-98.69
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000351245	0	40	-2.0	-112.82	360.15	6.57	-106.25
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)C=C1C(=O)[O-]	REAL300000351246	1	43	-2.0	-100.98	381.43	7.21	-93.77
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000351247	0	39	-2.0	-105.94	352.71	4.67	-101.27
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C(C)C)C2=C1	REAL300000351248	0	44	-2.0	-100.08	384.70	6.33	-93.75
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000351249	0	37	-2.0	-95.94	356.65	5.51	-90.43
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C21	REAL300000351250	1	47	-2.0	-102.30	402.62	8.42	-93.88
CC(C)N1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C21	REAL300000351251	1	47	-2.0	-106.29	401.94	8.42	-97.87
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C(C)C)C3=C2)C=C(C(=O)[O-])O1	REAL300000351252	0	43	-2.0	-101.66	378.63	6.53	-95.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C3=COC=C3)=C2)C=C1	REAL300000351253	1	39	-2.0	-111.90	361.10	5.00	-106.90
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C3=COC=C3)=C2)=C1	REAL300000351254	1	39	-2.0	-124.16	360.85	5.01	-119.15
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C3=COC=C3)=C2)=C1	REAL300000351255	0	36	-2.0	-118.49	354.03	4.02	-114.47
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C3=COC=C3)=C2)C=C1C(=O)[O-]	REAL300000351256	0	40	-2.0	-122.37	367.78	4.35	-118.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(NC(=O)C3=COC=C3)=CC=C2)=CS1	REAL300000351257	0	36	-2.0	-119.83	352.49	4.04	-115.79
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C3=COC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000351258	0	39	-2.0	-116.77	363.85	4.14	-112.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(NC(=O)C3=COC=C3)=CC=C2)S1	REAL300000351259	0	36	-2.0	-114.32	353.11	4.14	-110.18
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C3=COC=C3)=C2)=C1	REAL300000351260	0	38	-2.0	-120.29	358.11	3.05	-117.24
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1C(=O)N1CCCC1	REAL300000351261	1	45	-2.0	-99.77	382.45	6.88	-92.89
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1C(=O)N1CCCC1	REAL300000351262	1	45	-2.0	-111.46	382.44	6.87	-104.59
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC=C1C(=O)N1CCCC1	REAL300000351263	0	42	-2.0	-105.92	375.81	5.90	-100.02
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC=C1C(=O)N1CCCC1	REAL300000351264	0	46	-2.0	-110.06	389.11	6.23	-103.83
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1C(=O)N1CCCC1	REAL300000351265	0	42	-2.0	-108.50	374.09	5.90	-102.60
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CCCC3)=C2C)C=C(C(=O)[O-])O1	REAL300000351266	0	45	-2.0	-105.05	385.46	6.01	-99.04
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC=C1C(=O)N1CCCC1	REAL300000351267	0	42	-2.0	-101.66	374.89	6.01	-95.65
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1C(=O)N1CCCC1	REAL300000351268	0	44	-2.0	-108.13	379.61	4.94	-103.19
C#CC1=CC=CC(N(CC2=CC=CO2)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000351283	0	41	-2.0	-108.88	366.24	8.37	-100.51
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1S(N)(=O)=O	REAL300000351292	1	36	-2.0	-107.98	339.87	0.75	-107.23
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1S(N)(=O)=O	REAL300000351293	1	36	-2.0	-98.52	335.32	0.72	-97.80
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1S(N)(=O)=O	REAL300000351294	1	36	-2.0	-108.87	335.29	0.73	-108.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1S(N)(=O)=O	REAL300000351295	1	40	-2.0	-98.35	366.79	2.01	-96.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000351296	1	39	-2.0	-111.39	351.30	1.26	-110.13
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1S(N)(=O)=O	REAL300000351297	1	42	-2.0	-112.21	367.74	2.03	-110.18
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1S(N)(=O)=O	REAL300000351298	0	36	-2.0	-108.08	340.82	0.79	-107.29
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1S(N)(=O)=O	REAL300000351299	1	42	-2.0	-96.35	378.85	2.31	-94.04
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1S(N)(=O)=O	REAL300000351300	0	33	-2.0	-103.38	328.47	-0.26	-103.64
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(N)(=O)=O)C(C)=C1	REAL300000351301	1	39	-2.0	-110.24	350.72	1.51	-108.73
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1S(N)(=O)=O	REAL300000351302	0	37	-2.0	-107.42	341.93	0.07	-107.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(C)=C2)=C1	REAL300000351303	0	36	-2.0	-100.13	344.05	0.34	-99.79
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000351304	1	42	-2.0	-111.33	366.75	2.06	-109.27
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1S(N)(=O)=O	REAL300000351305	0	33	-2.0	-107.16	326.99	-0.24	-107.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(N)(=O)=O)C(C)=C1	REAL300000351306	1	42	-2.0	-108.79	365.44	2.45	-106.34
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000351307	0	36	-2.0	-104.65	338.35	-0.14	-104.79
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000351308	0	36	-2.0	-106.72	343.89	0.62	-106.10
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1S(N)(=O)=O	REAL300000351309	1	36	-2.0	-96.66	339.81	0.76	-95.90
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1S(N)(=O)=O	REAL300000351310	0	33	-2.0	-99.03	327.56	-0.14	-99.17
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1S(N)(=O)=O	REAL300000351311	0	36	-2.0	-99.76	341.33	0.73	-99.03
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1S(N)(=O)=O	REAL300000351312	0	36	-2.0	-96.91	340.80	0.79	-96.12
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1S(N)(=O)=O	REAL300000351313	0	37	-2.0	-110.72	345.06	-1.56	-112.28
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1S(N)(=O)=O	REAL300000351313	1	37	-2.0	-110.58	334.07	-0.67	-111.25
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1S(N)(=O)=O	REAL300000351314	1	39	-2.0	-100.96	357.45	1.51	-99.45
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1S(N)(=O)=O	REAL300000351315	1	39	-2.0	-106.13	345.36	1.37	-104.76
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1S(N)(=O)=O	REAL300000351316	1	39	-2.0	-98.65	350.75	1.49	-97.16
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1S(N)(=O)=O	REAL300000351317	1	42	-2.0	-116.07	372.14	1.89	-114.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000351318	1	42	-2.0	-109.74	369.04	2.08	-107.66
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000351319	1	42	-2.0	-112.27	369.58	1.90	-110.37
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000351320	0	40	-2.0	-110.00	363.36	0.94	-109.06
CC1=CC(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000351321	1	39	-2.0	-98.69	351.35	1.27	-97.42
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1S(N)(=O)=O	REAL300000351322	0	36	-2.0	-115.57	338.96	0.75	-114.82
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1S(N)(=O)=O	REAL300000351323	0	35	-2.0	-106.31	330.78	-1.18	-107.49
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1S(N)(=O)=O	REAL300000351324	0	33	-2.0	-97.23	335.44	-0.29	-97.52
CCC1=C(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000351325	0	39	-2.0	-104.52	357.47	0.71	-103.81
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000351326	1	34	-2.0	-99.00	324.40	4.99	-94.01
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300000351327	1	34	-2.0	-89.81	319.84	4.97	-84.84
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000351328	1	34	-2.0	-100.88	319.86	4.96	-95.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OC(=O)N2C	REAL300000351329	0	38	-2.0	-105.20	348.00	4.76	-100.44
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C21	REAL300000351330	1	38	-2.0	-89.49	351.31	6.26	-83.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C=C1C(=O)[O-]	REAL300000351331	1	37	-2.0	-101.80	335.88	5.50	-96.30
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C21	REAL300000351332	0	34	-2.0	-96.22	332.93	5.54	-90.68
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000351333	1	34	-2.0	-97.09	332.38	5.36	-91.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)=C1C	REAL300000351334	1	40	-2.0	-103.03	352.25	6.27	-96.76
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C21	REAL300000351335	0	34	-2.0	-97.39	325.34	5.03	-92.36
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300000351336	1	40	-2.0	-88.27	363.42	6.54	-81.73
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000351337	0	31	-2.0	-95.71	313.04	3.98	-91.73
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OC(=O)N2C	REAL300000351338	1	37	-2.0	-101.26	335.29	5.75	-95.51
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=CC=C21	REAL300000351339	1	38	-2.0	-88.07	350.93	5.24	-82.83
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C=C1C(=O)[O-]	REAL300000351340	0	35	-2.0	-99.60	326.51	4.32	-95.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)=C1	REAL300000351342	0	34	-2.0	-92.16	328.98	4.65	-87.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C=C1C(=O)[O-]	REAL300000351343	1	40	-2.0	-102.25	351.32	6.29	-95.96
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000351344	0	31	-2.0	-97.03	311.51	4.00	-93.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C=C1C(=O)[O-]	REAL300000351345	1	38	-2.0	-106.81	347.15	5.03	-101.78
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OC(=O)N2C	REAL300000351346	1	43	-2.0	-103.00	373.76	6.97	-96.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OC(=O)N2C	REAL300000351347	1	40	-2.0	-99.79	350.00	6.69	-93.10
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OC(=O)N2C	REAL300000351348	0	41	-2.0	-104.33	370.29	5.53	-98.80
CN1C(=O)OC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C21	REAL300000351349	0	37	-2.0	-117.40	354.98	5.39	-112.01
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C21	REAL300000351349	1	36	-3.0	-174.56	348.26	5.53	-169.03
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C21	REAL300000351350	1	41	-2.0	-104.90	364.10	6.86	-98.04
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C=C(C(=O)[O-])O1	REAL300000351351	0	34	-2.0	-95.41	322.87	4.11	-91.30
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)=C1	REAL300000351352	0	38	-2.0	-102.35	348.84	4.05	-98.30
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)=CC=C1OCC(=O)[O-]	REAL300000351353	1	41	-2.0	-88.55	371.01	5.94	-82.61
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OC(=O)N2C	REAL300000351354	1	37	-2.0	-92.59	340.57	5.78	-86.81
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=CC=C21	REAL300000351355	1	38	-2.0	-88.06	357.15	5.31	-82.75
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C=C1C(=O)[O-]	REAL300000351356	1	41	-2.0	-107.38	369.00	5.94	-101.44
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C=C(C(=O)[O-])S1	REAL300000351357	0	34	-2.0	-98.14	329.55	4.85	-93.29
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C21	REAL300000351358	0	34	-2.0	-87.58	332.91	5.52	-82.06
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000351359	1	34	-2.0	-89.70	324.38	5.00	-84.70
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000351360	0	31	-2.0	-91.09	312.13	4.09	-87.00
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000351361	1	34	-2.0	-92.33	326.26	5.03	-87.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)=C1F	REAL300000351362	0	37	-2.0	-98.66	345.62	5.67	-92.99
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300000351363	0	34	-2.0	-88.98	325.32	5.03	-83.95
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000351364	1	34	-2.0	-87.48	332.35	5.37	-82.11
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OC(=O)N2C	REAL300000351365	1	37	-2.0	-94.12	349.30	6.17	-87.95
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000351366	1	34	-2.0	-91.14	330.68	5.06	-86.08
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC=C21	REAL300000351367	0	36	-2.0	-86.97	348.04	5.63	-81.34
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C21	REAL300000351368	0	35	-2.0	-99.97	329.57	2.68	-97.29
CN1C(=O)OC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C21	REAL300000351368	1	35	-2.0	-101.42	318.59	3.57	-97.85
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C21	REAL300000351369	1	37	-2.0	-92.07	342.02	5.74	-86.33
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OC(=O)N2C	REAL300000351370	1	37	-2.0	-97.96	329.90	5.61	-92.35
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)=CC(C(=O)[O-])=C1F	REAL300000351371	1	37	-2.0	-100.29	344.69	5.61	-94.68
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OC(=O)N2C	REAL300000351372	1	37	-2.0	-90.09	335.27	5.73	-84.36
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)=CC(C(=O)[O-])=C1C	REAL300000351373	1	40	-2.0	-104.95	357.36	6.16	-98.79
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=CC=C21	REAL300000351374	0	36	-2.0	-100.71	346.42	6.06	-94.65
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C21	REAL300000351375	0	34	-2.0	-89.73	331.61	5.09	-84.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C(C)=C1C(=O)[O-]	REAL300000351376	1	40	-2.0	-102.14	354.34	6.35	-95.79
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C=C1C(=O)[O-]	REAL300000351377	0	37	-2.0	-99.52	345.17	5.66	-93.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)=C1Cl	REAL300000351378	0	37	-2.0	-97.84	351.62	6.10	-91.74
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)=C1	REAL300000351379	0	37	-2.0	-106.09	344.87	5.66	-100.43
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C=C1C(=O)[O-]	REAL300000351380	1	40	-2.0	-102.40	353.82	6.15	-96.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C=C1CC(=O)[O-]	REAL300000351381	1	41	-2.0	-104.00	370.33	5.10	-98.90
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OC(=O)N2C	REAL300000351382	1	37	-2.0	-92.50	350.40	6.22	-86.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)=CC(C(=O)[O-])=C1Cl	REAL300000351383	1	37	-2.0	-98.79	351.08	5.92	-92.87
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C=C1C(=O)[O-]	REAL300000351384	0	38	-2.0	-100.82	347.88	5.18	-95.64
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C=C1C(=O)[O-]	REAL300000351385	1	37	-2.0	-95.62	353.60	6.03	-89.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)=CC=C1C(=O)[O-]	REAL300000351386	1	37	-2.0	-89.79	335.86	5.51	-84.28
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OC(=O)N2C	REAL300000351387	1	37	-2.0	-99.54	339.40	5.79	-93.75
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=CC=C21	REAL300000351388	0	36	-2.0	-108.65	343.60	6.81	-101.84
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000351389	0	34	-2.0	-105.45	323.52	5.00	-100.45
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C=C1C(=O)[O-]	REAL300000351390	1	37	-2.0	-93.96	344.80	5.64	-88.32
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C21	REAL300000351391	1	40	-2.0	-108.72	360.89	7.08	-101.64
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000351392	0	33	-2.0	-97.21	316.85	3.02	-94.19
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OC(=O)N2C	REAL300000351393	0	38	-2.0	-93.42	348.06	4.76	-88.66
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C21	REAL300000351394	0	31	-2.0	-89.63	320.00	3.94	-85.69
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C21	REAL300000351395	1	41	-2.0	-95.50	365.98	6.85	-88.65
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C21	REAL300000351396	1	41	-2.0	-99.42	365.30	6.85	-92.57
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3C)C=C(C(=O)[O-])O1	REAL300000351397	0	37	-2.0	-95.15	341.99	4.96	-90.19
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000351398	1	36	-2.0	-95.78	345.96	5.25	-90.53
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000351400	1	36	-2.0	-97.34	341.43	5.22	-92.12
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000351402	0	36	-2.0	-93.94	346.91	5.28	-88.66
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000351403	0	33	-2.0	-92.05	334.62	4.23	-87.82
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1F	REAL300000351404	1	39	-2.0	-99.04	356.86	6.00	-93.04
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000351405	1	37	-2.0	-95.85	348.06	4.57	-91.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(N3N=NN=C3C)=C2)=C1	REAL300000351406	0	36	-2.0	-88.24	350.57	4.90	-83.34
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000351407	0	33	-2.0	-93.48	333.07	4.25	-89.23
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000351408	0	36	-2.0	-91.04	344.48	4.35	-86.69
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000351409	1	36	-2.0	-95.90	350.03	5.11	-90.79
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000351410	1	36	-2.0	-85.94	345.94	5.26	-80.68
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000351411	0	33	-2.0	-87.19	333.74	4.34	-82.85
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000351412	1	36	-2.0	-88.79	347.83	5.29	-83.50
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000351413	0	36	-2.0	-84.30	346.90	5.29	-79.01
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000351414	0	37	-2.0	-97.95	351.15	2.94	-95.01
CC1=NN=NN1C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000351414	1	37	-2.0	-104.68	349.70	3.71	-100.97
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000351415	1	39	-2.0	-88.48	363.59	6.01	-82.47
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000351416	1	39	-2.0	-91.58	351.09	5.83	-85.75
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3N=NN=C3C)=C2)C=C1C(=O)[O-]	REAL300000351418	1	40	-2.0	-97.02	369.46	5.43	-91.59
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000351420	0	36	-2.0	-98.13	345.04	5.25	-92.88
CC1=NN=NN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000351421	0	35	-2.0	-94.26	337.64	3.34	-90.92
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3N=NN=C3C)=C2)C=C(C(=O)[O-])O1	REAL300000351422	0	39	-2.0	-92.89	363.57	5.21	-87.68
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000351423	0	39	-2.0	-112.72	361.34	4.63	-108.09
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000351424	0	39	-2.0	-101.85	356.77	4.61	-97.24
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000351425	0	39	-2.0	-114.48	356.80	4.61	-109.87
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000351426	0	43	-2.0	-120.02	384.94	4.41	-115.61
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000351427	0	43	-2.0	-101.00	388.25	5.90	-95.10
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000351428	0	42	-2.0	-116.90	372.81	5.13	-111.77
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000351429	0	45	-2.0	-117.27	389.46	5.94	-111.33
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000351430	0	39	-2.0	-112.13	362.26	4.66	-107.47
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000351431	0	45	-2.0	-100.44	400.38	6.19	-94.25
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000351432	0	36	-2.0	-108.62	349.98	3.63	-104.99
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000351433	0	42	-2.0	-114.97	372.23	5.38	-109.59
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000351434	0	43	-2.0	-99.68	387.86	4.89	-94.79
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000351435	0	40	-2.0	-112.79	363.44	3.96	-108.83
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000351436	0	43	-2.0	-115.62	380.58	3.45	-112.17
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000351437	0	39	-2.0	-105.32	365.90	4.29	-101.03
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000351438	0	45	-2.0	-116.36	388.25	5.92	-110.44
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000351439	0	36	-2.0	-110.89	348.45	3.64	-107.25
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000351440	0	43	-2.0	-121.42	384.09	4.68	-116.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1OCCOC	REAL300000351441	0	45	-2.0	-112.67	386.92	6.33	-106.34
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000351442	0	39	-2.0	-107.82	359.80	3.75	-104.07
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000351443	0	43	-2.0	-116.67	385.72	3.70	-112.97
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000351444	0	39	-2.0	-111.12	366.49	4.49	-106.63
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000351445	0	39	-2.0	-101.23	361.32	4.65	-96.58
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000351446	0	36	-2.0	-103.99	349.05	3.73	-100.26
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000351447	0	39	-2.0	-106.11	363.21	4.67	-101.44
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000351448	0	39	-2.0	-101.61	362.26	4.68	-96.93
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000351449	0	40	-2.0	-113.70	366.51	2.30	-111.40
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000351450	0	42	-2.0	-105.78	378.98	5.39	-100.39
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000351451	0	42	-2.0	-111.52	366.83	5.24	-106.28
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000351452	0	42	-2.0	-101.60	372.21	5.38	-96.22
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000351453	0	45	-2.0	-117.83	390.26	5.69	-112.14
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000351454	0	45	-2.0	-115.99	390.32	6.01	-109.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCCOC)C=C1C(=O)[O-]	REAL300000351455	0	45	-2.0	-117.60	391.12	5.79	-111.81
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCCOC)C=C1C(=O)[O-]	REAL300000351456	0	43	-2.0	-114.09	384.74	4.82	-109.27
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000351457	0	42	-2.0	-102.02	372.80	5.14	-96.88
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000351458	0	39	-2.0	-119.97	360.42	4.64	-115.33
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000351459	0	38	-2.0	-111.96	353.77	2.67	-109.29
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000351460	0	43	-2.0	-106.04	384.99	4.41	-101.63
COCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000351461	0	36	-2.0	-102.02	356.90	3.58	-98.44
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCCOC)C=C(C(=O)[O-])O1	REAL300000351462	0	42	-2.0	-107.28	378.92	4.60	-102.68
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1F	REAL300000351463	1	36	-2.0	-77.89	348.89	4.02	-73.87
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000351464	1	29	-2.0	-92.82	296.95	5.46	-87.36
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C#N)=C1	REAL300000351465	0	37	-2.0	-93.43	352.05	6.52	-86.91
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=CC=C1F	REAL300000351466	0	29	-2.0	-89.87	308.84	6.14	-83.73
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1F	REAL300000351467	1	29	-2.0	-83.66	292.41	5.44	-78.22
N#CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000351468	1	29	-2.0	-94.56	292.42	5.43	-89.13
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C#N)=C1	REAL300000351469	0	33	-2.0	-99.16	320.57	5.23	-93.93
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=CC=C1F	REAL300000351470	1	29	-2.0	-90.29	308.66	5.92	-84.37
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1F	REAL300000351471	1	33	-2.0	-83.56	323.88	6.73	-76.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000351472	1	32	-2.0	-96.78	312.49	6.08	-90.70
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1F	REAL300000351473	0	29	-2.0	-90.29	305.49	6.00	-84.29
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000351474	1	29	-2.0	-90.79	304.93	5.82	-84.97
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=CC=C1F	REAL300000351475	0	29	-2.0	-86.31	317.99	6.37	-79.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)=C1C	REAL300000351476	1	35	-2.0	-97.42	325.10	6.78	-90.64
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000351477	0	29	-2.0	-91.28	297.90	5.49	-85.79
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000351478	1	35	-2.0	-82.41	335.98	7.02	-75.39
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000351479	0	26	-2.0	-89.50	285.60	4.44	-85.06
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C#N)=C1	REAL300000351480	1	32	-2.0	-95.50	307.86	6.22	-89.28
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000351482	0	30	-2.0	-93.29	299.07	4.78	-88.51
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)=C1	REAL300000351484	0	29	-2.0	-85.98	301.55	5.11	-80.87
N#CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000351486	0	26	-2.0	-90.83	284.07	4.46	-86.37
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)=CC(C(=O)[O-])=C1OC	REAL300000351487	1	37	-2.0	-95.13	350.71	5.24	-89.89
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1F	REAL300000351489	1	39	-2.0	-98.68	347.68	8.04	-90.64
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C#N)=C1	REAL300000351490	1	38	-2.0	-97.24	346.35	7.44	-89.80
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C#N)=C1	REAL300000351491	1	35	-2.0	-94.19	322.59	7.14	-87.05
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C#N)=C1	REAL300000351492	0	36	-2.0	-99.44	342.83	5.99	-93.45
N#CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000351493	0	32	-2.0	-107.58	323.30	6.00	-101.58
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000351493	1	31	-3.0	-167.63	320.83	5.99	-161.64
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1F	REAL300000351494	1	36	-2.0	-99.02	336.69	7.33	-91.69
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000351495	0	29	-2.0	-89.63	295.43	4.57	-85.06
N#CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1F	REAL300000351496	1	35	-2.0	-99.26	334.59	5.20	-94.06
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)=C1	REAL300000351497	0	33	-2.0	-95.90	321.41	4.52	-91.38
N#CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000351499	1	29	-2.0	-84.93	320.09	6.28	-78.65
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1F	REAL300000351500	0	29	-2.0	-87.79	310.01	6.02	-81.77
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300000351501	1	33	-2.0	-81.14	339.52	6.25	-74.89
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=CC=C1F	REAL300000351503	1	39	-2.0	-82.10	372.16	6.68	-75.42
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C#N)=C1	REAL300000351504	1	32	-2.0	-86.90	313.13	6.25	-80.65
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1F	REAL300000351506	1	33	-2.0	-82.28	329.71	5.78	-76.50
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)C=C(C(=O)[O-])S1	REAL300000351508	1	29	-2.0	-92.49	301.01	5.33	-87.16
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=CC=C1F	REAL300000351509	0	29	-2.0	-84.58	320.64	6.45	-78.13
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1F	REAL300000351510	0	29	-2.0	-81.34	305.47	5.99	-75.35
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=CC=C1F	REAL300000351511	0	29	-2.0	-81.12	308.82	6.12	-75.00
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000351512	1	29	-2.0	-83.64	296.94	5.47	-78.17
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000351513	0	26	-2.0	-84.95	284.69	4.56	-80.39
N#CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000351514	1	29	-2.0	-86.13	298.82	5.50	-80.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)=C1F	REAL300000351515	0	32	-2.0	-92.61	318.19	6.13	-86.48
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000351516	0	33	-2.0	-86.24	332.74	6.05	-80.19
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000351517	0	29	-2.0	-82.68	297.88	5.50	-77.18
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300000351518	1	29	-2.0	-81.42	304.92	5.83	-75.59
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C#N)=C1	REAL300000351519	1	32	-2.0	-88.40	321.87	6.64	-81.76
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1F	REAL300000351520	1	37	-2.0	-80.61	356.16	6.84	-73.77
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=CC=C1F	REAL300000351521	1	29	-2.0	-80.93	308.65	5.93	-75.00
N#CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000351522	1	29	-2.0	-85.10	303.24	5.52	-79.58
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000351523	0	31	-2.0	-80.87	320.61	6.10	-74.77
N#CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000351524	0	30	-2.0	-96.67	291.17	4.02	-92.65
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000351524	1	30	-2.0	-94.45	302.13	3.14	-91.31
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000351525	1	32	-2.0	-86.27	314.59	6.21	-80.06
N#CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000351526	1	29	-2.0	-86.26	313.12	5.96	-80.30
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C#N)=C1	REAL300000351527	1	32	-2.0	-91.27	302.50	6.07	-85.20
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)=CC(C(=O)[O-])=C1F	REAL300000351528	1	32	-2.0	-93.97	317.27	6.08	-87.89
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)=CC(C(=O)[O-])=C1C	REAL300000351530	1	35	-2.0	-97.08	325.29	6.50	-90.58
N#CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300000351531	0	31	-2.0	-94.56	318.98	6.52	-88.04
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1F	REAL300000351532	0	29	-2.0	-83.67	304.17	5.56	-78.11
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000351534	0	32	-2.0	-93.45	317.76	6.12	-87.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)=C1Cl	REAL300000351535	0	32	-2.0	-91.90	324.17	6.57	-85.33
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)=C1	REAL300000351536	0	32	-2.0	-99.14	317.48	6.12	-93.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000351537	1	35	-2.0	-95.99	326.66	6.62	-89.37
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C#N)=C1	REAL300000351539	1	32	-2.0	-84.94	318.70	6.60	-78.34
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CC=C1F	REAL300000351540	1	32	-2.0	-80.74	322.53	6.24	-74.50
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000351541	1	32	-2.0	-92.43	323.66	6.39	-86.04
N#CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000351542	1	29	-2.0	-87.69	313.71	6.04	-81.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000351543	0	33	-2.0	-94.48	320.44	5.64	-88.84
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CC=C1F	REAL300000351545	0	29	-2.0	-82.94	318.00	5.99	-76.95
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000351546	1	32	-2.0	-89.32	326.17	6.50	-82.82
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)C=C(C(=O)[O-])S1	REAL300000351547	0	38	-2.0	-92.52	341.87	7.55	-84.97
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000351548	0	33	-2.0	-95.91	332.75	6.06	-89.85
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000351549	1	32	-2.0	-83.71	308.42	5.97	-77.74
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1F	REAL300000351550	0	34	-2.0	-87.90	335.69	7.61	-80.29
N#CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1F	REAL300000351552	0	31	-2.0	-101.66	316.15	7.28	-94.38
N#CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000351553	0	29	-2.0	-98.52	296.08	5.47	-93.05
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000351554	1	32	-2.0	-87.68	317.38	6.11	-81.57
N#CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1F	REAL300000351555	1	35	-2.0	-102.14	333.46	7.55	-94.59
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000351556	0	28	-2.0	-91.32	289.41	3.48	-87.84
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C#N)=C1	REAL300000351557	0	33	-2.0	-87.29	320.63	5.23	-82.06
N#CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000351558	0	26	-2.0	-83.77	292.57	4.42	-79.35
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1F	REAL300000351559	1	36	-2.0	-89.53	338.54	7.32	-82.21
N#CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1F	REAL300000351560	1	36	-2.0	-92.58	337.86	7.32	-85.26
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000351561	0	32	-2.0	-89.58	314.55	5.42	-84.16
CCOCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000351562	0	42	-2.0	-101.66	388.95	6.02	-95.64
CCOCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000351563	0	42	-2.0	-114.10	388.97	6.03	-108.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)=C1	REAL300000351568	0	35	-2.0	-104.41	346.62	7.01	-97.40
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)=C1	REAL300000351569	0	32	-2.0	-101.02	334.34	5.96	-95.06
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000351571	1	36	-2.0	-102.32	342.77	6.27	-96.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)=C1	REAL300000351572	0	35	-2.0	-97.67	350.26	6.63	-91.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)=CS1	REAL300000351573	1	32	-2.0	-99.80	327.77	5.95	-93.85
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000351574	0	35	-2.0	-101.37	344.15	6.09	-95.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000351575	1	35	-2.0	-104.94	349.75	6.85	-98.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)S1	REAL300000351577	0	32	-2.0	-96.51	333.42	6.06	-90.45
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)=C1	REAL300000351578	1	35	-2.0	-94.32	347.55	7.01	-87.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)C(F)=C1	REAL300000351579	0	35	-2.0	-93.98	346.61	7.02	-86.96
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)=C1	REAL300000351580	0	36	-2.0	-107.76	350.86	4.66	-103.10
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3C=CC=N3)C(Cl)=C2)=C1	REAL300000351580	1	36	-2.0	-106.98	349.97	5.49	-101.49
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000351584	1	39	-2.0	-103.59	364.15	7.13	-96.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)=C1F	REAL300000351586	0	35	-2.0	-110.49	344.80	6.98	-103.51
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)=C1	REAL300000351587	0	34	-2.0	-104.92	338.13	5.00	-99.92
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000351588	0	38	-2.0	-101.39	363.28	6.94	-94.45
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1	REAL300000351589	0	36	-2.0	-87.36	349.61	1.30	-86.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC=C1F	REAL300000351590	0	29	-2.0	-102.87	297.70	2.73	-100.14
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1O	REAL300000351591	0	37	-2.0	-105.35	352.77	3.80	-101.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1	REAL300000351592	0	29	-2.0	-93.77	293.13	2.72	-91.05
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351593	0	29	-2.0	-107.11	293.15	2.71	-104.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1O	REAL300000351594	0	33	-2.0	-112.33	321.29	2.50	-109.83
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1	REAL300000351595	0	33	-2.0	-93.31	324.60	4.01	-89.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1C(=O)[O-]	REAL300000351596	0	32	-2.0	-106.27	309.17	3.24	-103.03
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351597	0	29	-2.0	-102.58	306.23	3.28	-99.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC=C1Cl	REAL300000351598	0	29	-2.0	-101.22	305.67	3.10	-98.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C(Cl)C=C1Cl	REAL300000351599	0	29	-2.0	-98.22	318.72	3.66	-94.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1C	REAL300000351600	0	35	-2.0	-110.35	325.82	4.05	-106.30
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351601	0	29	-2.0	-104.21	298.62	2.77	-101.44
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1	REAL300000351602	0	35	-2.0	-92.78	336.74	4.29	-88.49
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351603	0	26	-2.0	-101.21	286.34	1.73	-99.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1O	REAL300000351604	0	32	-2.0	-108.15	308.59	3.49	-104.66
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1	REAL300000351605	0	33	-2.0	-92.10	324.22	3.00	-89.10
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1C(=O)[O-]	REAL300000351606	0	30	-2.0	-105.04	299.80	2.06	-102.98
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1O	REAL300000351607	0	33	-2.0	-108.84	316.93	1.55	-107.29
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351608	0	29	-2.0	-96.37	302.26	2.39	-93.98
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1C(=O)[O-]	REAL300000351609	0	35	-2.0	-109.49	324.61	4.02	-105.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CS1	REAL300000351610	0	26	-2.0	-101.23	284.82	1.75	-99.48
COC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC(C(=O)[O-])=C1OC	REAL300000351611	0	37	-2.0	-107.32	351.49	2.52	-104.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1C(=O)[O-]	REAL300000351612	0	33	-2.0	-110.98	320.44	2.78	-108.20
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351613	0	39	-2.0	-112.01	348.39	5.34	-106.67
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1O	REAL300000351614	0	38	-2.0	-110.33	347.06	4.71	-105.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1O	REAL300000351615	0	35	-2.0	-106.65	323.28	4.43	-102.22
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1O	REAL300000351616	0	36	-2.0	-111.93	343.58	3.26	-108.67
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351617	0	31	-3.0	-180.90	321.56	3.28	-177.62
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(Cl)=CC=C2O)=C1	REAL300000351617	1	32	-2.0	-106.41	321.60	3.22	-103.19
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351618	0	36	-2.0	-112.26	337.40	4.61	-107.65
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000351619	0	29	-2.0	-101.14	296.16	1.86	-99.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC2=C1OCCO2	REAL300000351620	0	35	-2.0	-110.15	335.33	2.48	-107.67
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351621	0	33	-2.0	-105.63	322.07	1.80	-103.83
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC(Cl)=CC=C3O)C=C2C1	REAL300000351622	0	37	-2.0	-92.18	346.08	3.31	-88.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC(Cl)=C1Cl	REAL300000351623	0	29	-2.0	-96.50	320.84	3.55	-92.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C(Cl)C=C1F	REAL300000351624	0	29	-2.0	-99.38	310.74	3.31	-96.07
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1Cl	REAL300000351625	0	33	-2.0	-90.50	340.26	3.53	-86.97
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC=C1OCC(=O)[O-]	REAL300000351626	0	36	-2.0	-92.59	344.31	3.70	-88.89
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1O	REAL300000351627	0	32	-2.0	-98.56	313.86	3.51	-95.05
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC=C1OCCCC(=O)[O-]	REAL300000351628	0	42	-2.0	-92.66	386.76	4.63	-88.03
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1F	REAL300000351629	0	33	-2.0	-91.43	330.46	3.05	-88.38
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1C(=O)[O-]	REAL300000351630	0	36	-2.0	-111.67	342.31	3.69	-107.98
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C(C(=O)[O-])S1	REAL300000351631	0	29	-2.0	-104.55	302.85	2.59	-101.96
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351632	0	29	-2.0	-96.26	321.37	3.73	-92.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C(Cl)=C1	REAL300000351633	0	29	-2.0	-91.15	306.20	3.29	-87.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1F	REAL300000351634	0	29	-2.0	-93.18	297.68	2.75	-90.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)S1	REAL300000351635	0	26	-2.0	-95.25	285.42	1.83	-93.42
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351636	0	29	-2.0	-96.48	299.57	2.77	-93.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1F	REAL300000351637	0	32	-2.0	-105.38	318.91	3.41	-101.97
COC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000351638	0	33	-2.0	-95.69	333.46	3.34	-92.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C(F)=C1	REAL300000351639	0	29	-2.0	-92.90	298.61	2.79	-90.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1Cl	REAL300000351640	0	29	-2.0	-91.24	305.65	3.12	-88.12
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1O	REAL300000351641	0	32	-2.0	-100.29	322.60	3.91	-96.38
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1	REAL300000351642	0	37	-2.0	-90.25	356.89	4.13	-86.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC(F)=C1F	REAL300000351643	0	29	-2.0	-95.94	303.98	2.80	-93.14
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351644	0	31	-2.0	-90.73	321.35	3.37	-87.36
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351645	0	30	-2.0	-107.06	302.86	0.41	-106.65
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1	REAL300000351646	0	32	-2.0	-97.57	315.34	3.48	-94.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC(Cl)=C1F	REAL300000351647	0	29	-2.0	-97.50	313.87	3.24	-94.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1O	REAL300000351648	0	32	-2.0	-101.10	303.19	3.34	-97.76
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC(C(=O)[O-])=C1F	REAL300000351649	0	32	-2.0	-103.96	318.00	3.36	-100.60
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1O	REAL300000351650	0	32	-2.0	-94.27	308.56	3.49	-90.78
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC(C(=O)[O-])=C1C	REAL300000351651	0	35	-2.0	-109.92	326.62	3.79	-106.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC=C1[N+](=O)[O-]	REAL300000351652	0	31	-2.0	-103.54	319.73	3.79	-99.75
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351653	0	29	-2.0	-95.59	304.91	2.83	-92.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C(C)=C1C(=O)[O-]	REAL300000351654	0	35	-2.0	-105.68	326.68	4.12	-101.56
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1C(=O)[O-]	REAL300000351655	0	32	-2.0	-106.26	318.47	3.40	-102.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1Cl	REAL300000351656	0	32	-2.0	-104.12	324.92	3.84	-100.28
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351657	0	32	-2.0	-109.38	318.18	3.40	-105.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1C(=O)[O-]	REAL300000351658	0	35	-2.0	-106.99	327.47	3.89	-103.10
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1CC(=O)[O-]	REAL300000351659	0	36	-2.0	-107.46	343.63	2.84	-104.62
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1O	REAL300000351660	0	32	-2.0	-94.75	319.41	3.90	-90.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1C(F)(F)F	REAL300000351661	0	32	-2.0	-90.18	323.28	3.51	-86.67
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000351662	0	32	-2.0	-102.85	324.38	3.66	-99.19
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1C(=O)[O-]	REAL300000351663	0	33	-2.0	-104.94	321.11	2.92	-102.02
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C(C)=C1CC(=O)[O-]	REAL300000351664	0	41	-2.0	-105.09	358.30	5.58	-99.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C(F)C(Cl)=C1F	REAL300000351665	0	29	-2.0	-94.43	318.77	3.26	-91.17
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1C(=O)[O-]	REAL300000351666	0	32	-2.0	-101.26	326.93	3.77	-97.49
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C(C(=O)[O-])S1	REAL300000351667	0	38	-2.0	-104.33	342.60	4.84	-99.49
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1C(=O)[O-]	REAL300000351668	0	33	-2.0	-108.06	333.47	3.35	-104.71
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000351669	0	32	-2.0	-93.92	309.16	3.25	-90.67
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C([N+](=O)[O-])=C1	REAL300000351670	0	34	-2.0	-97.53	336.41	4.90	-92.63
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1O	REAL300000351671	0	32	-2.0	-105.94	312.69	3.55	-102.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1[N+](=O)[O-]	REAL300000351672	0	31	-2.0	-111.24	316.88	4.56	-106.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1F	REAL300000351673	0	29	-2.0	-108.84	296.78	2.74	-106.10
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C1C(=O)[O-]	REAL300000351674	0	32	-2.0	-99.41	318.11	3.38	-96.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=CC2=CC=CC=C21	REAL300000351675	0	35	-2.0	-113.31	334.19	4.83	-108.48
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C1	REAL300000351676	0	28	-2.0	-103.48	289.36	0.83	-102.65
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1O	REAL300000351677	0	33	-2.0	-97.94	321.36	2.50	-95.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)=C(Cl)O1	REAL300000351678	0	26	-2.0	-94.56	293.26	1.68	-92.88
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(Cl)=CC=C3O)C=C2)CC1	REAL300000351679	0	36	-2.0	-100.87	339.28	4.59	-96.28
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(Cl)=CC=C3O)C=C2C1	REAL300000351680	0	36	-2.0	-95.54	338.24	4.60	-90.94
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000351681	0	32	-2.0	-101.01	315.27	2.70	-98.31
NC(=O)CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000351682	0	42	-2.0	-120.19	378.80	1.21	-118.98
NC(=O)CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000351683	0	42	-2.0	-133.22	378.81	1.20	-132.02
NC(=O)CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000351684	0	39	-2.0	-127.50	372.00	0.23	-127.27
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCCC(N)=O)C=C1C(=O)[O-]	REAL300000351685	0	43	-2.0	-131.69	385.46	0.55	-131.14
NC(=O)CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000351686	0	39	-2.0	-128.71	370.46	0.24	-128.47
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCCC(N)=O)C=C(C(=O)[O-])O1	REAL300000351687	0	42	-2.0	-125.34	381.82	0.34	-125.00
NC(=O)CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000351688	0	39	-2.0	-122.23	371.07	0.33	-121.90
NC(=O)CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000351689	0	41	-2.0	-131.45	375.02	-0.67	-132.12
O=C([O-])C1=CC=C(S(=O)(=O)N[N-]C(=O)C2=C(Cl)C=CC=C2Cl)C=C1	REAL300000351690	0	32	-2.0	-98.56	340.90	3.62	-94.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C(Cl)C=CC=C2Cl)C=C1	REAL300000351690	1	32	-2.0	-105.32	341.56	4.64	-100.68
O=C([O-])C1=CC=CC(S(=O)(=O)N[N-]C(=O)C2=C(Cl)C=CC=C2Cl)=C1	REAL300000351691	0	32	-2.0	-107.64	340.91	3.61	-104.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=C(Cl)C=CC=C2Cl)=C1	REAL300000351691	1	32	-2.0	-117.61	341.58	4.63	-112.98
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=C(Cl)C=CC=C2Cl)=C1	REAL300000351692	0	29	-2.0	-111.68	334.76	3.65	-108.03
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)C2=C(Cl)C=CC=C2Cl)=C1	REAL300000351692	1	28	-3.0	-213.45	331.59	2.89	-210.56
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=C(Cl)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300000351693	0	33	-2.0	-116.29	348.23	3.99	-112.30
CN1C=C(S(=O)(=O)N[N-]C(=O)C2=C(Cl)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300000351693	1	33	-2.0	-106.84	347.57	2.97	-103.87
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=C(Cl)C=CC=C2Cl)=CS1	REAL300000351694	0	29	-2.0	-113.20	333.23	3.66	-109.54
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=C(Cl)C=CC=C2Cl)=CS1	REAL300000351694	1	28	-3.0	-215.54	330.06	2.88	-212.66
CC1=C(S(=O)(=O)[N-]NC(=O)C2=C(Cl)C=CC=C2Cl)C=C(C(=O)[O-])O1	REAL300000351695	0	32	-2.0	-110.30	344.59	3.77	-106.53
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=C(Cl)C=CC=C2Cl)C=C(C(=O)[O-])O1	REAL300000351695	1	31	-3.0	-209.26	341.41	3.01	-206.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C(Cl)C=CC=C2Cl)S1	REAL300000351696	0	29	-2.0	-106.64	333.85	3.76	-102.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C(Cl)C=CC=C2Cl)S1	REAL300000351696	1	28	-3.0	-206.16	330.68	2.99	-203.17
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=C(Cl)C=CC=C2Cl)=C1	REAL300000351697	0	31	-2.0	-112.75	338.56	2.68	-110.07
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=C(Cl)C=CC=C2Cl)=C1	REAL300000351697	1	30	-3.0	-216.08	335.39	1.92	-214.16
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351698	1	37	-2.0	-112.93	346.06	6.78	-106.15
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351699	1	34	-2.0	-115.27	330.63	6.00	-109.27
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000351700	1	33	-2.0	-110.95	311.77	5.20	-105.75
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000351702	0	28	-2.0	-119.56	284.34	5.62	-113.94
O=C([O-])C1=CC(F)=C(F)C=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000351703	0	31	-2.0	-85.95	307.49	5.00	-80.95
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000351703	1	30	-3.0	-170.94	309.32	5.06	-165.88
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000351704	0	27	-2.0	-101.85	287.71	3.98	-97.87
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351705	1	29	-2.0	-107.67	296.67	5.74	-101.93
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351706	1	29	-2.0	-102.99	296.66	5.74	-97.25
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000351707	0	28	-2.0	-108.79	298.07	5.93	-102.86
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351708	0	29	-2.0	-119.62	293.94	5.64	-113.98
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1Br	REAL300000351709	0	28	-2.0	-111.36	292.33	6.05	-105.31
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300000351710	1	32	-2.0	-103.75	321.84	5.14	-98.61
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1F	REAL300000351711	0	31	-2.0	-94.19	306.99	5.88	-88.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1F	REAL300000351711	1	30	-3.0	-182.52	308.85	5.94	-176.58
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000351713	1	37	-2.0	-112.46	338.67	5.29	-107.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000351714	1	33	-2.0	-109.76	320.04	6.54	-103.22
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351715	0	31	-2.0	-106.56	292.05	3.18	-103.38
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Br)S1	REAL300000351716	0	25	-2.0	-104.05	289.45	5.08	-98.97
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351717	1	46	-2.0	-113.03	382.47	9.36	-103.67
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300000351718	1	44	-2.0	-111.40	377.71	9.16	-102.24
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000351719	1	31	-2.0	-103.23	314.60	6.35	-96.88
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000351720	1	38	-2.0	-114.66	338.55	7.84	-106.82
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351721	0	31	-2.0	-91.50	302.54	5.85	-85.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351721	1	30	-3.0	-170.87	304.30	5.91	-164.96
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351722	0	36	-2.0	-119.53	333.58	4.42	-115.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1OC	REAL300000351723	1	36	-2.0	-110.62	334.59	4.55	-106.07
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000351724	1	35	-2.0	-114.74	321.35	7.26	-107.48
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351725	0	30	-2.0	-102.02	288.92	4.30	-97.72
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000351726	1	28	-2.0	-102.33	307.76	6.32	-96.01
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351727	0	31	-2.0	-104.05	302.62	5.85	-98.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351727	1	30	-3.0	-186.33	304.30	5.90	-180.43
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000351728	1	28	-2.0	-101.25	288.55	5.47	-95.78
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000351729	0	28	-2.0	-107.03	305.70	6.43	-100.60
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000351730	1	31	-2.0	-107.49	314.92	6.37	-101.12
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351731	1	31	-2.0	-112.98	297.27	6.01	-106.97
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000351733	0	31	-2.0	-114.00	300.38	6.70	-107.30
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000351734	1	28	-2.0	-108.34	292.57	5.87	-102.47
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351735	1	33	-2.0	-110.51	318.61	5.84	-104.67
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351736	1	34	-2.0	-112.24	312.74	6.79	-105.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C	REAL300000351737	1	34	-2.0	-114.22	314.26	6.55	-107.67
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000351738	1	28	-2.0	-101.60	298.44	5.92	-95.68
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351739	1	33	-2.0	-122.20	318.62	5.83	-116.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C)=C1	REAL300000351740	1	34	-2.0	-111.70	312.74	6.79	-104.91
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351741	0	34	-2.0	-124.55	321.08	6.74	-117.81
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351742	0	37	-2.0	-106.17	352.47	6.94	-99.23
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000351743	0	28	-2.0	-109.90	304.16	6.37	-103.53
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000351744	1	34	-2.0	-108.69	331.37	6.09	-102.60
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351745	1	40	-2.0	-112.12	352.06	7.67	-104.45
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351746	1	37	-2.0	-111.99	336.06	7.28	-104.71
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351747	1	40	-2.0	-111.53	354.52	7.94	-103.59
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351748	0	34	-3.0	-188.32	332.44	5.70	-182.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351748	1	35	-2.0	-106.09	329.69	5.63	-100.46
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351749	0	35	-2.0	-90.59	334.00	7.13	-83.46
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351749	1	34	-3.0	-168.91	335.75	7.20	-161.71
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300000351750	0	28	-2.0	-112.45	299.45	6.66	-105.79
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000351751	0	25	-2.0	-103.88	284.82	4.97	-98.91
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351752	1	37	-2.0	-111.45	340.23	7.57	-103.88
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351753	0	32	-2.0	-118.49	304.10	5.14	-113.35
CC1=CC=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000351754	0	34	-2.0	-94.10	318.41	6.38	-87.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000351754	1	33	-3.0	-188.28	320.32	6.44	-181.84
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000351755	0	28	-2.0	-107.32	293.92	5.53	-101.79
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000351756	1	28	-2.0	-102.94	309.30	6.38	-96.56
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000351757	0	28	-2.0	-112.57	288.97	5.91	-106.66
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1	REAL300000351758	1	28	-2.0	-108.30	297.13	5.97	-102.33
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000351759	0	30	-2.0	-108.23	304.06	6.02	-102.21
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351760	0	33	-2.0	-105.33	319.55	6.79	-98.54
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300000351761	0	30	-2.0	-102.02	316.52	6.40	-95.62
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000351762	0	25	-2.0	-109.77	267.77	4.35	-105.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351763	1	32	-2.0	-109.78	305.35	4.65	-105.13
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000351764	0	30	-2.0	-124.74	294.36	6.72	-118.02
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351765	0	30	-3.0	-177.69	317.38	6.47	-171.22
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351765	1	31	-2.0	-90.99	314.54	6.02	-84.97
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1Cl	REAL300000351766	0	31	-2.0	-91.51	314.98	6.24	-85.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1Cl	REAL300000351766	1	30	-3.0	-181.58	316.82	6.30	-175.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351767	1	31	-2.0	-112.36	297.26	6.02	-106.34
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351768	1	35	-2.0	-109.57	327.19	5.57	-104.00
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000351769	0	28	-2.0	-108.03	287.75	5.48	-102.55
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000351770	1	28	-2.0	-108.48	282.25	5.41	-103.07
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000351771	0	28	-2.0	-102.05	288.66	5.48	-96.57
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1C	REAL300000351772	1	40	-2.0	-113.74	339.93	8.10	-105.64
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000351773	1	34	-2.0	-112.66	320.32	4.50	-108.16
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351775	1	43	-2.0	-113.66	367.53	8.44	-105.22
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000351776	1	28	-2.0	-105.04	292.58	5.87	-99.17
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1	REAL300000351777	1	28	-2.0	-104.97	297.15	5.97	-99.00
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000351778	0	30	-2.0	-99.13	304.07	6.02	-93.11
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000351779	1	28	-2.0	-112.24	275.83	5.35	-106.89
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351780	1	35	-2.0	-116.85	331.92	4.24	-112.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000351781	0	28	-2.0	-111.34	289.66	5.14	-106.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])=C1C	REAL300000351782	0	37	-2.0	-91.87	334.06	7.18	-84.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1C	REAL300000351782	1	36	-3.0	-184.48	337.41	7.24	-177.24
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351783	0	32	-2.0	-111.17	320.83	5.66	-105.51
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300000351784	0	30	-2.0	-114.63	313.64	7.28	-107.35
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351785	0	30	-3.0	-180.50	309.77	5.97	-174.53
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300000351786	0	25	-2.0	-101.89	298.68	5.50	-96.39
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351787	1	43	-2.0	-111.30	379.29	8.85	-102.45
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351788	0	33	-2.0	-108.22	314.08	6.62	-101.60
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000351789	0	28	-2.0	-110.74	287.73	5.48	-105.26
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351790	0	37	-2.0	-88.91	346.21	7.43	-81.48
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351790	1	36	-3.0	-167.99	347.87	7.50	-160.49
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351791	1	38	-2.0	-116.60	352.51	5.05	-111.55
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000351792	1	32	-2.0	-106.44	311.58	2.16	-104.28
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351793	1	32	-2.0	-109.90	316.05	6.37	-103.53
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000351794	1	33	-2.0	-107.75	317.86	3.79	-103.96
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000351795	1	36	-2.0	-108.77	335.66	4.53	-104.24
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300000351796	1	33	-2.0	-107.93	324.10	5.53	-102.40
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351797	0	27	-3.0	-179.22	297.49	4.92	-174.30
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000351798	1	31	-2.0	-105.96	307.59	2.85	-103.11
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351800	0	34	-2.0	-90.34	315.86	6.59	-83.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351800	1	33	-3.0	-182.21	319.73	6.70	-175.51
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351801	0	34	-2.0	-110.40	313.46	4.42	-105.98
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1C	REAL300000351802	0	36	-2.0	-105.51	337.27	7.36	-98.15
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351803	0	34	-2.0	-106.52	330.62	6.01	-100.51
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351804	1	35	-2.0	-110.81	332.29	3.63	-107.18
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351805	0	33	-2.0	-112.82	330.04	0.31	-112.51
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300000351806	1	39	-2.0	-119.63	353.64	6.47	-113.16
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351807	0	37	-2.0	-124.65	348.00	7.02	-117.63
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351808	1	32	-2.0	-110.60	310.36	2.13	-108.47
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000351809	1	39	-2.0	-120.98	354.74	6.38	-114.60
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351810	1	34	-2.0	-111.96	318.73	6.79	-105.17
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000351811	1	34	-2.0	-115.85	321.78	7.63	-108.22
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=CS1	REAL300000351812	0	31	-2.0	-121.06	315.42	5.65	-115.41
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351813	1	38	-2.0	-110.77	352.40	5.86	-104.91
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351815	0	35	-2.0	-89.81	333.68	6.13	-83.68
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351815	1	34	-3.0	-167.98	335.37	6.19	-161.79
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351816	1	40	-2.0	-111.76	356.99	8.03	-103.73
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000351817	1	28	-2.0	-104.29	282.26	5.41	-98.88
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000351818	0	28	-2.0	-117.05	281.34	5.41	-111.64
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000351819	1	33	-2.0	-107.54	318.22	5.85	-101.69
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351820	0	34	-2.0	-125.70	329.99	3.85	-121.85
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=C2N=C1	REAL300000351821	0	36	-2.0	-129.46	337.19	6.62	-122.84
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351822	1	38	-2.0	-109.04	348.68	6.37	-102.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(Cl)=C1	REAL300000351823	0	31	-2.0	-112.32	310.38	6.58	-105.74
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300000351824	0	32	-2.0	-114.24	320.60	5.62	-108.62
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300000351825	1	34	-2.0	-108.22	326.58	2.58	-105.64
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351826	1	33	-2.0	-116.93	330.04	0.31	-116.62
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000351827	1	36	-2.0	-108.23	338.67	5.78	-102.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000351828	0	34	-2.0	-120.23	326.39	6.06	-114.17
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300000351829	1	34	-2.0	-105.86	332.39	2.34	-103.52
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=C2C1=O	REAL300000351830	0	35	-2.0	-105.20	341.68	4.61	-100.59
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000351831	1	33	-2.0	-104.60	323.52	6.84	-97.76
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000351832	1	34	-2.0	-107.68	329.98	5.30	-102.38
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300000351833	1	32	-2.0	-106.06	321.83	5.14	-100.92
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351834	0	34	-2.0	-118.14	336.54	2.87	-115.27
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351835	1	31	-2.0	-103.41	297.73	6.19	-97.22
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300000351836	1	38	-2.0	-115.13	342.51	9.08	-106.05
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000351837	0	28	-2.0	-104.17	295.37	5.98	-98.19
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300000351838	0	40	-2.0	-118.50	361.77	4.68	-113.82
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000351839	0	35	-2.0	-126.05	337.40	4.31	-121.74
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351840	1	34	-2.0	-121.77	336.55	2.87	-118.90
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1OC	REAL300000351842	0	36	-2.0	-112.56	340.05	4.62	-107.94
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1OC	REAL300000351843	1	39	-2.0	-109.63	350.01	5.32	-104.31
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000351844	0	31	-3.0	-184.13	310.95	5.25	-178.88
CN1C=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000351844	1	32	-2.0	-102.05	310.80	5.25	-96.80
CN1C=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000351845	0	28	-2.0	-118.70	293.31	4.91	-113.79
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(N)=O	REAL300000351846	0	33	-2.0	-109.04	317.79	1.51	-107.53
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351847	0	35	-2.0	-97.67	324.55	4.31	-93.36
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351847	1	34	-3.0	-181.80	328.08	4.74	-177.06
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351848	1	39	-2.0	-111.33	360.81	4.84	-106.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000351849	1	32	-2.0	-107.86	321.38	5.21	-102.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000351850	1	32	-2.0	-107.72	311.57	4.72	-103.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C	REAL300000351851	1	35	-2.0	-111.05	325.41	5.39	-105.66
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C	REAL300000351852	1	38	-2.0	-110.80	347.28	6.32	-104.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(N)=O	REAL300000351853	1	35	-2.0	-106.12	326.45	2.80	-103.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(N)=O	REAL300000351854	1	36	-2.0	-107.89	337.66	2.72	-105.17
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000351855	0	28	-2.0	-108.35	280.39	3.06	-105.29
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351856	0	33	-2.0	-98.56	319.55	6.80	-91.76
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CN1C	REAL300000351858	0	36	-2.0	-109.90	339.72	3.00	-106.90
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351859	1	31	-2.0	-106.85	308.05	6.64	-100.21
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351860	1	41	-2.0	-109.13	368.80	7.07	-102.06
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=N2)C=C1	REAL300000351861	0	38	-2.0	-110.45	357.81	7.14	-103.31
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)CCOC1=CC=C(F)C=C1	REAL300000351862	1	35	-2.0	-103.11	335.35	5.78	-97.33
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300000351863	1	39	-2.0	-110.21	351.33	5.48	-104.73
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C	REAL300000351864	1	38	-2.0	-111.79	349.43	6.23	-105.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351865	0	30	-3.0	-174.69	313.44	5.59	-169.10
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000351866	1	29	-2.0	-99.87	312.06	6.15	-93.72
N#CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1Cl	REAL300000351867	1	29	-2.0	-100.66	312.09	6.15	-94.51
CC1=CC(C)=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000351868	0	37	-2.0	-90.77	332.37	7.17	-83.60
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000351868	1	36	-3.0	-184.09	335.76	7.24	-176.85
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000351869	1	32	-2.0	-116.03	314.20	5.72	-110.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C2=CC=CN=C12	REAL300000351870	1	37	-2.0	-114.58	341.14	5.14	-109.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000351871	1	31	-2.0	-109.06	311.32	6.45	-102.61
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000351872	0	28	-2.0	-114.13	297.50	5.91	-108.22
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1OC(C)C	REAL300000351873	1	41	-2.0	-111.42	365.21	6.94	-104.48
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351874	0	34	-2.0	-105.05	332.31	5.81	-99.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000351875	1	38	-2.0	-118.49	345.21	7.01	-111.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000351876	1	31	-2.0	-108.87	302.57	6.06	-102.81
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351877	1	31	-2.0	-104.36	308.06	6.64	-97.72
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351878	0	31	-2.0	-117.20	302.75	6.08	-111.12
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351879	1	31	-2.0	-106.74	297.73	6.20	-100.54
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCCl)C=C1	REAL300000351880	1	34	-2.0	-110.29	335.88	7.41	-102.88
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351881	0	33	-2.0	-126.04	309.47	7.60	-118.44
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351882	1	38	-2.0	-126.15	345.13	5.03	-121.12
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300000351883	1	42	-2.0	-109.27	370.49	7.57	-101.70
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351884	0	36	-2.0	-129.45	337.12	6.64	-122.81
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351885	1	44	-2.0	-108.89	387.75	7.67	-101.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CS1	REAL300000351886	0	27	-3.0	-181.04	295.95	4.95	-176.09
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])=CS1	REAL300000351886	1	28	-2.0	-100.53	295.55	4.94	-95.59
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000351887	0	31	-2.0	-113.18	318.19	7.24	-105.94
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300000351888	0	30	-2.0	-99.10	317.20	6.58	-92.52
COC1=CC=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000351889	0	35	-2.0	-110.29	329.71	5.91	-104.38
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000351889	1	34	-3.0	-192.59	331.60	5.97	-186.62
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300000351890	1	36	-2.0	-113.93	325.94	6.73	-107.20
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300000351891	0	25	-2.0	-106.78	288.15	4.91	-101.87
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1O	REAL300000351892	1	35	-2.0	-106.87	339.45	4.04	-102.83
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351893	1	41	-2.0	-119.26	379.52	5.14	-114.12
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000351894	0	30	-2.0	-116.52	303.35	6.83	-109.69
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351895	0	40	-2.0	-96.83	355.45	7.49	-89.34
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351895	1	39	-3.0	-185.09	357.45	7.90	-177.19
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300000351896	1	38	-2.0	-112.97	350.03	8.76	-104.21
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000351897	0	30	-2.0	-120.98	309.23	6.73	-114.25
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351898	0	37	-2.0	-122.37	356.78	3.82	-118.55
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351899	1	39	-2.0	-121.46	366.59	5.01	-116.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C)=C1	REAL300000351900	1	35	-2.0	-109.52	320.80	5.43	-104.09
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C	REAL300000351901	1	38	-2.0	-110.25	340.45	6.18	-104.07
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300000351902	1	39	-2.0	-122.06	363.90	5.32	-116.74
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351903	0	32	-2.0	-116.25	306.95	3.72	-112.53
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000351904	0	25	-2.0	-105.16	257.42	1.74	-103.42
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351905	0	37	-2.0	-96.16	331.12	7.00	-89.16
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351905	1	36	-3.0	-177.35	329.89	7.44	-169.91
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000351906	0	31	-2.0	-116.32	315.37	6.24	-110.08
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000351907	0	31	-2.0	-104.45	323.72	5.11	-99.34
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351908	0	38	-2.0	-97.91	345.61	7.37	-90.54
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351908	1	37	-3.0	-188.20	348.55	7.80	-180.40
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C	REAL300000351909	0	36	-2.0	-124.37	336.02	8.01	-116.36
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000351910	0	32	-2.0	-103.32	313.65	5.73	-97.59
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000351911	0	28	-2.0	-108.75	290.76	5.70	-103.05
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000351912	0	30	-3.0	-174.56	307.31	5.05	-169.51
CC1=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000351912	1	31	-2.0	-91.31	304.97	4.59	-86.72
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000351913	0	31	-2.0	-132.42	304.04	4.54	-127.88
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351914	0	34	-2.0	-115.97	336.09	6.05	-109.92
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351915	0	38	-2.0	-120.73	347.36	6.73	-114.00
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000351916	1	31	-2.0	-100.73	320.17	6.41	-94.32
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351917	1	44	-2.0	-108.97	391.68	7.93	-101.04
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300000351918	0	30	-2.0	-123.74	309.56	7.50	-116.24
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000351919	1	33	-2.0	-121.39	324.17	5.53	-115.86
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(Br)=C1	REAL300000351920	0	27	-2.0	-102.53	292.18	4.15	-98.38
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000351921	0	30	-2.0	-127.60	301.86	6.97	-120.63
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351922	0	34	-3.0	-189.65	333.29	4.99	-184.66
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351922	1	35	-2.0	-97.33	330.58	4.52	-92.81
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000351923	0	35	-2.0	-110.90	336.41	6.47	-104.43
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300000351924	0	38	-2.0	-109.40	361.81	6.91	-102.49
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000351925	0	27	-2.0	-102.20	277.26	3.62	-98.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(F)(F)F	REAL300000351926	1	34	-2.0	-108.41	330.28	6.87	-101.54
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000351927	1	38	-2.0	-108.52	356.08	6.26	-102.26
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351928	0	31	-2.0	-109.96	323.90	5.00	-104.96
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351929	0	36	-2.0	-101.18	329.76	7.55	-93.63
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300000351930	1	33	-2.0	-113.52	312.00	5.78	-107.74
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000351931	0	27	-2.0	-103.69	300.99	4.48	-99.21
CN1C=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351932	0	28	-2.0	-122.83	280.02	4.43	-118.40
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C)=C1	REAL300000351933	1	38	-2.0	-109.21	342.65	6.35	-102.86
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=C12	REAL300000351934	0	36	-2.0	-106.46	342.17	5.07	-101.39
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=C12	REAL300000351935	0	32	-2.0	-101.58	315.59	2.33	-99.25
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000351936	0	28	-2.0	-99.61	291.78	3.87	-95.74
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300000351937	1	37	-2.0	-112.88	357.38	8.19	-104.69
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000351938	0	28	-2.0	-115.37	287.61	5.47	-109.90
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000351939	0	32	-2.0	-114.63	313.83	4.93	-109.70
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300000351940	0	30	-2.0	-116.66	313.68	7.29	-109.37
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351941	0	34	-2.0	-89.14	321.20	6.30	-82.84
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351941	1	33	-3.0	-172.88	325.02	6.73	-166.15
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000351942	0	34	-2.0	-118.04	318.98	4.98	-113.06
CC1=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CN1C	REAL300000351943	0	31	-2.0	-121.30	299.37	4.24	-117.06
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000351944	0	32	-2.0	-113.90	313.86	5.40	-108.50
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351945	1	37	-2.0	-114.86	352.50	6.93	-107.93
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000351946	0	31	-2.0	-108.44	301.92	3.91	-104.53
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351947	0	40	-2.0	-105.88	373.97	7.73	-98.15
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351948	1	35	-2.0	-113.75	330.90	5.07	-108.68
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351949	0	34	-2.0	-118.18	327.42	6.80	-111.38
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300000351950	0	31	-2.0	-109.46	320.08	6.41	-103.05
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300000351951	0	31	-2.0	-105.29	306.94	6.77	-98.52
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300000351952	0	28	-2.0	-111.88	307.93	5.45	-106.43
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000351953	1	33	-2.0	-110.86	311.82	4.65	-106.21
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000351954	0	28	-2.0	-106.76	295.38	5.98	-100.78
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=C2)=CO1	REAL300000351955	1	37	-2.0	-114.94	352.23	4.41	-110.53
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)CCOCC(F)(F)F	REAL300000351956	1	31	-2.0	-104.08	314.16	3.60	-100.48
CC1CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=CC=C2O1	REAL300000351957	1	36	-2.0	-111.15	332.75	5.96	-105.19
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000351958	0	32	-2.0	-104.27	320.13	2.20	-102.07
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351959	0	28	-2.0	-106.27	276.25	2.40	-103.87
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351960	1	32	-2.0	-114.17	305.34	4.64	-109.53
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351961	1	31	-2.0	-111.29	291.33	6.12	-105.17
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000351962	0	34	-2.0	-115.56	337.47	3.58	-111.98
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000351962	1	33	-3.0	-181.02	333.22	2.47	-178.55
CN1C=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=N1	REAL300000351963	0	28	-2.0	-117.89	280.68	2.88	-115.01
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351964	0	28	-2.0	-103.81	276.10	2.98	-100.83
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000351965	1	32	-2.0	-111.69	295.19	3.55	-108.14
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)CC1CCCCO1	REAL300000351966	1	35	-2.0	-110.67	312.69	4.64	-106.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000351969	0	31	-2.0	-116.65	302.75	6.09	-110.56
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1F	REAL300000351970	1	31	-2.0	-104.88	302.57	6.05	-98.83
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000351971	0	25	-2.0	-120.33	257.31	2.73	-117.60
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])O1	REAL300000351972	0	31	-2.0	-105.73	315.39	4.14	-101.59
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000351973	0	33	-2.0	-129.08	315.77	5.98	-123.10
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300000351974	0	34	-2.0	-117.66	342.27	6.02	-111.64
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000351975	0	28	-2.0	-102.17	294.01	5.53	-96.64
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000351976	0	30	-3.0	-178.00	314.00	5.80	-172.20
CC1=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000351976	1	31	-2.0	-93.86	311.40	5.35	-88.51
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1C	REAL300000351977	1	37	-2.0	-114.89	340.17	6.67	-108.22
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000351978	0	32	-2.0	-112.60	318.45	5.21	-107.39
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CN=C1Cl	REAL300000351979	0	30	-2.0	-102.92	306.49	4.56	-98.36
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351980	0	34	-2.0	-121.57	334.91	2.89	-118.68
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000351982	1	37	-2.0	-116.26	352.81	6.79	-109.47
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=C21	REAL300000351984	1	39	-2.0	-134.96	355.01	6.40	-128.56
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351985	0	40	-2.0	-111.21	353.95	5.99	-105.22
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])SC=C1	REAL300000351986	0	28	-2.0	-111.26	284.07	5.17	-106.09
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1C	REAL300000351987	0	37	-2.0	-110.70	334.36	5.25	-105.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C	REAL300000351988	0	37	-2.0	-107.15	346.64	6.54	-100.61
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000351989	0	33	-2.0	-100.23	320.06	6.53	-93.70
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000351992	1	36	-2.0	-123.69	335.43	3.80	-119.89
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351993	1	32	-2.0	-105.71	312.11	6.52	-99.19
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1F	REAL300000351994	1	35	-2.0	-120.99	337.05	4.35	-116.64
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000351995	0	33	-2.0	-107.95	328.22	6.71	-101.24
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351996	1	40	-2.0	-109.32	326.83	7.84	-101.48
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1C	REAL300000351997	1	38	-2.0	-132.55	350.46	5.16	-127.39
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351998	0	32	-2.0	-113.13	313.52	5.80	-107.33
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000351999	1	32	-2.0	-102.58	312.09	6.51	-96.07
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352000	1	40	-2.0	-109.58	337.40	8.85	-100.73
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300000352002	1	37	-2.0	-118.35	344.53	5.42	-112.93
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000352003	0	29	-2.0	-106.74	302.14	5.80	-100.94
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=C2O1	REAL300000352004	1	33	-2.0	-110.07	319.51	3.01	-107.06
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000352005	0	34	-2.0	-109.02	320.60	4.44	-104.58
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352006	0	33	-2.0	-115.72	313.57	1.88	-113.84
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000352007	1	33	-2.0	-113.15	316.83	5.72	-107.43
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000352008	0	34	-2.0	-112.87	335.22	4.12	-108.75
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CN1	REAL300000352009	0	34	-2.0	-122.12	319.81	3.79	-118.33
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000352010	0	31	-2.0	-113.43	317.67	7.16	-106.27
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300000352013	0	37	-2.0	-114.14	350.40	6.58	-107.56
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352014	1	39	-2.0	-105.63	358.44	4.99	-100.64
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000352015	0	28	-2.0	-95.86	294.83	5.53	-90.33
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352016	1	39	-2.0	-109.00	358.46	7.19	-101.81
CC(C)OCCS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352017	1	34	-2.0	-105.01	314.86	3.88	-101.13
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CN1C	REAL300000352018	0	35	-2.0	-114.53	337.01	5.45	-109.08
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352019	1	43	-2.0	-112.01	366.28	8.14	-103.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(Cl)=C1	REAL300000352020	0	30	-3.0	-168.66	317.36	6.47	-162.19
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C(Cl)=C1	REAL300000352020	1	31	-2.0	-85.22	314.54	6.03	-79.19
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000352021	0	31	-2.0	-91.56	307.00	5.89	-85.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000352021	1	30	-3.0	-169.82	308.83	5.95	-163.87
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352022	1	36	-2.0	-102.63	342.32	4.75	-97.88
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300000352023	0	35	-2.0	-114.14	340.80	6.62	-107.52
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352024	1	38	-2.0	-120.74	343.48	5.59	-115.15
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC(C)=C1F	REAL300000352025	1	34	-2.0	-105.96	322.88	6.69	-99.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000352026	0	27	-3.0	-173.14	296.57	5.03	-168.11
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352027	0	37	-2.0	-122.69	340.55	6.31	-116.38
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352028	0	31	-2.0	-88.26	308.95	5.92	-82.34
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352028	1	30	-3.0	-176.09	310.71	5.97	-170.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1F	REAL300000352029	0	33	-3.0	-182.66	330.05	6.60	-176.06
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352030	1	42	-2.0	-108.78	368.65	7.40	-101.38
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CN1	REAL300000352031	0	32	-2.0	-111.41	319.24	3.68	-107.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000352032	0	30	-3.0	-171.77	309.77	5.98	-165.79
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000352033	0	31	-2.0	-88.96	314.98	6.24	-82.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000352033	1	30	-3.0	-168.43	316.80	6.31	-162.12
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352034	1	31	-2.0	-108.29	296.22	6.18	-102.11
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1C	REAL300000352035	1	37	-2.0	-109.18	346.68	6.53	-102.65
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CS1	REAL300000352036	0	31	-2.0	-110.20	323.11	5.03	-105.17
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1F	REAL300000352037	1	34	-2.0	-103.49	335.18	6.02	-97.47
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000352038	0	30	-2.0	-108.04	300.11	3.94	-104.10
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352039	1	32	-2.0	-115.44	318.10	6.52	-108.92
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352040	0	36	-2.0	-99.64	334.21	7.69	-91.95
CC(=O)NC1=CC(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1[O-]	REAL300000352041	1	36	-2.0	-93.19	335.79	2.23	-90.96
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352044	1	34	-2.0	-105.98	330.06	7.12	-98.86
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352045	1	34	-2.0	-113.35	318.73	6.78	-106.57
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352046	1	31	-2.0	-108.63	303.66	6.08	-102.55
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352048	0	34	-2.0	-107.19	333.73	4.80	-102.39
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000352049	1	34	-2.0	-107.10	327.24	4.40	-102.70
O=C([O-])C1=CC(F)=C(F)C=C1NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000352050	0	31	-2.0	-96.20	313.32	5.94	-90.26
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000352050	1	30	-3.0	-173.21	315.12	6.00	-167.21
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352051	1	40	-2.0	-113.77	363.74	7.33	-106.44
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=CC=C2O1	REAL300000352052	1	39	-2.0	-111.45	353.28	6.61	-104.84
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C(F)C=C1F	REAL300000352053	0	31	-2.0	-108.14	308.05	6.11	-102.03
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300000352054	0	34	-2.0	-120.60	327.63	8.41	-112.19
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000352055	0	34	-2.0	-121.25	316.89	7.66	-113.59
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000352056	0	30	-2.0	-109.89	307.84	4.83	-105.06
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352057	0	31	-3.0	-178.54	314.02	3.62	-174.92
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352057	1	31	-3.0	-169.58	307.79	3.94	-165.64
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000352058	1	38	-2.0	-116.06	331.15	7.98	-108.08
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352059	0	34	-2.0	-89.79	324.81	6.63	-83.16
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352059	1	33	-3.0	-172.82	326.48	6.69	-166.13
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])O1	REAL300000352060	0	34	-2.0	-106.03	337.25	5.07	-100.96
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000352061	0	30	-2.0	-99.97	310.47	6.09	-93.88
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352062	0	33	-2.0	-119.31	330.17	6.32	-112.99
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000352063	1	40	-2.0	-111.14	366.58	6.88	-104.26
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352064	0	31	-2.0	-121.33	318.58	6.05	-115.28
COC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])SC=C1	REAL300000352065	0	29	-2.0	-117.74	298.01	3.63	-114.11
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300000352066	0	34	-2.0	-113.58	332.59	6.45	-107.13
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000352067	0	31	-2.0	-115.17	305.61	5.74	-109.43
CC1=NC2=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=CC=C2C=C1	REAL300000352068	0	36	-2.0	-131.24	337.35	6.58	-124.66
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=C21	REAL300000352069	1	39	-2.0	-106.99	359.14	4.85	-102.14
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300000352070	0	34	-2.0	-112.18	331.26	8.08	-104.10
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1F	REAL300000352071	0	33	-2.0	-108.44	329.85	6.72	-101.72
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352072	0	30	-2.0	-116.53	309.09	4.10	-112.43
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352074	0	28	-2.0	-101.75	291.89	4.26	-97.49
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])N=C1Cl	REAL300000352075	0	28	-2.0	-114.66	296.02	4.18	-110.48
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC(OC)=C1	REAL300000352076	0	36	-2.0	-115.42	334.82	3.95	-111.47
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000352077	0	29	-2.0	-117.87	291.68	4.08	-113.79
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1C	REAL300000352078	0	36	-2.0	-125.54	326.13	8.17	-117.37
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352079	0	29	-2.0	-101.57	298.06	3.18	-98.39
CC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000352080	0	27	-2.0	-107.79	284.37	3.16	-104.63
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352081	1	33	-2.0	-98.42	323.63	6.84	-91.58
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352082	0	34	-2.0	-104.70	311.38	6.51	-98.19
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352082	1	33	-3.0	-187.14	314.34	6.54	-180.60
COCCOCCS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352083	1	35	-2.0	-107.60	328.21	2.40	-105.20
CC1=CC(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000352084	0	34	-2.0	-94.89	327.30	6.50	-88.39
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000352084	1	33	-3.0	-184.39	329.13	6.56	-177.83
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352085	0	34	-2.0	-90.20	315.83	6.59	-83.61
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352085	1	33	-3.0	-170.50	319.72	6.68	-163.82
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352086	0	34	-2.0	-121.36	334.79	6.46	-114.90
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000352087	0	29	-2.0	-107.32	305.14	6.03	-101.29
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000352088	0	31	-2.0	-110.56	308.05	6.12	-104.44
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000352089	0	34	-2.0	-100.10	331.37	6.09	-94.01
CC1=CC(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000352090	0	37	-2.0	-105.53	334.82	6.88	-98.65
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000352090	1	36	-3.0	-190.89	337.77	6.99	-183.90
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300000352091	0	34	-2.0	-121.99	333.58	8.17	-113.82
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000352092	0	31	-2.0	-108.98	321.17	6.84	-102.14
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1CC	REAL300000352093	1	40	-2.0	-114.50	352.84	7.91	-106.59
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352095	0	30	-3.0	-172.47	316.04	6.03	-166.44
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300000352096	0	33	-2.0	-100.91	328.88	6.67	-94.24
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000352097	0	27	-2.0	-108.42	294.82	4.79	-103.63
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352098	0	34	-2.0	-119.18	321.28	5.73	-113.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000352099	0	33	-2.0	-102.63	326.58	4.17	-98.46
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000352100	0	27	-2.0	-99.43	301.26	4.53	-94.90
CC1=CC=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000352101	0	37	-2.0	-97.51	334.45	6.88	-90.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000352101	1	36	-3.0	-192.12	337.83	7.31	-184.81
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000352102	0	33	-3.0	-183.37	329.62	6.60	-176.77
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352103	0	33	-3.0	-197.47	329.34	6.60	-190.87
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352104	1	36	-2.0	-122.22	338.93	6.62	-115.60
COCCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000352105	0	35	-2.0	-106.67	335.60	2.96	-103.71
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000352106	0	33	-2.0	-118.24	326.16	6.19	-112.05
CCC1=CC=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000352107	0	37	-2.0	-94.36	336.74	7.03	-87.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000352107	1	36	-3.0	-189.50	338.63	7.09	-182.41
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000352108	0	39	-2.0	-109.94	353.00	3.89	-106.05
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1C#N	REAL300000352111	0	32	-2.0	-121.05	313.09	6.15	-114.90
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352112	0	34	-2.0	-84.19	320.83	5.40	-78.79
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352112	1	33	-3.0	-169.48	324.36	5.86	-163.62
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000352113	0	37	-2.0	-112.09	348.83	6.99	-105.10
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352114	0	34	-2.0	-121.71	323.33	6.10	-115.61
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000352115	0	36	-2.0	-106.98	333.88	3.09	-103.89
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300000352116	1	35	-2.0	-112.81	340.20	5.89	-106.92
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1F	REAL300000352117	0	31	-2.0	-118.36	301.65	6.06	-112.30
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000352118	0	34	-2.0	-104.84	324.88	2.97	-101.87
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000352119	0	35	-2.0	-125.93	321.79	5.38	-120.55
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352120	1	35	-2.0	-111.29	330.91	5.08	-106.21
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352121	0	33	-2.0	-111.56	315.11	2.33	-109.23
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000352122	0	31	-2.0	-113.70	307.71	6.49	-107.21
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C(C)O1	REAL300000352124	0	31	-2.0	-108.49	298.79	4.92	-103.57
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300000352125	0	34	-2.0	-117.75	322.09	3.01	-114.74
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000352126	1	36	-2.0	-111.89	329.54	5.98	-105.91
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352127	1	35	-2.0	-111.15	322.46	5.38	-105.77
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000352128	0	37	-2.0	-101.81	349.07	5.66	-96.15
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352129	1	38	-2.0	-109.73	345.12	6.20	-103.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])O1	REAL300000352130	0	28	-2.0	-111.70	280.44	4.17	-107.53
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352131	0	31	-2.0	-112.32	308.06	5.71	-106.61
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000352132	1	31	-2.0	-108.60	301.89	4.01	-104.59
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000352133	0	36	-2.0	-127.38	329.65	7.15	-120.23
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000352134	0	34	-2.0	-116.51	325.11	7.37	-109.14
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352135	0	34	-2.0	-115.02	327.47	6.81	-108.21
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000352136	0	30	-2.0	-97.17	308.59	6.04	-91.13
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000352137	0	28	-2.0	-102.56	298.98	5.93	-96.63
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C(C)O1	REAL300000352138	0	34	-2.0	-103.73	333.71	4.90	-98.83
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000352139	0	27	-2.0	-102.54	287.61	4.04	-98.50
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])N=C1C	REAL300000352140	0	34	-2.0	-121.72	321.45	5.14	-116.58
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352141	0	31	-2.0	-112.80	310.39	6.58	-106.22
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000352142	0	34	-3.0	-185.91	332.25	6.12	-179.79
CCN1C=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000352142	1	35	-2.0	-95.26	332.17	6.12	-89.14
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352143	0	31	-2.0	-109.89	315.73	4.09	-105.80
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352144	0	40	-2.0	-112.01	355.32	5.90	-106.11
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CN1C	REAL300000352145	0	38	-2.0	-114.10	358.88	6.37	-107.73
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352146	0	36	-2.0	-107.72	335.52	7.29	-100.43
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000352147	0	28	-2.0	-116.01	291.90	6.14	-109.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(Cl)=N1	REAL300000352148	0	30	-2.0	-110.92	305.74	4.67	-106.25
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352149	0	33	-2.0	-109.09	324.88	5.53	-103.56
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000352150	1	32	-2.0	-108.05	331.07	6.82	-101.23
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000352151	0	30	-2.0	-107.27	305.86	3.92	-103.35
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=C12	REAL300000352152	0	35	-2.0	-101.01	337.08	3.06	-97.95
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000352153	0	30	-2.0	-105.42	313.97	5.68	-99.74
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CN=C1Cl	REAL300000352155	0	31	-2.0	-100.96	316.69	3.31	-97.65
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000352156	1	37	-2.0	-107.48	351.79	6.31	-101.17
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000352157	0	30	-2.0	-100.22	310.57	4.57	-95.65
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352158	0	34	-2.0	-108.06	337.03	6.07	-101.99
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(S(=O)(=O)F)C=C1	REAL300000352159	0	31	-2.0	-108.87	321.20	2.58	-106.29
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352160	0	43	-2.0	-111.18	368.65	6.36	-104.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C)=C1F	REAL300000352161	1	35	-2.0	-107.96	325.93	5.46	-102.50
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(Cl)=C1	REAL300000352162	0	29	-2.0	-102.99	309.73	6.30	-96.69
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000352163	0	31	-2.0	-121.59	303.77	5.67	-115.92
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352164	0	33	-2.0	-107.73	325.81	4.21	-103.52
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000352165	0	25	-2.0	-105.48	280.23	4.08	-101.40
CC1=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300000352166	0	37	-2.0	-125.29	351.88	4.32	-120.97
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000352167	1	36	-2.0	-106.87	335.54	7.30	-99.57
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352168	0	38	-2.0	-119.46	339.43	7.10	-112.36
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300000352169	0	28	-2.0	-107.98	296.92	5.75	-102.23
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352173	1	40	-2.0	-112.59	367.92	7.71	-104.88
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352174	0	28	-2.0	-104.76	304.83	5.57	-99.19
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000352175	1	31	-2.0	-117.59	310.01	6.28	-111.31
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300000352176	0	31	-2.0	-106.81	320.08	6.41	-100.40
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000352177	0	31	-2.0	-106.70	313.77	4.24	-102.46
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352178	0	32	-2.0	-117.57	311.92	6.42	-111.15
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)F)=C1	REAL300000352179	0	31	-2.0	-112.38	321.22	2.58	-109.80
COC(=O)C(CS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-])C1=CC=CC=C1	REAL300000352180	1	40	-2.0	-108.14	363.26	8.19	-99.95
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300000352181	0	36	-2.0	-106.89	345.29	6.64	-100.25
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352182	1	37	-2.0	-113.44	329.12	7.33	-106.11
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C)=CS1	REAL300000352183	0	34	-2.0	-121.73	331.03	6.54	-115.19
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1F	REAL300000352184	1	32	-2.0	-104.10	311.58	4.72	-99.38
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000352185	0	27	-2.0	-118.27	288.53	5.75	-112.52
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000352186	0	25	-2.0	-110.05	258.52	3.35	-106.70
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352187	0	27	-2.0	-98.35	269.26	1.81	-96.54
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=CN=C21	REAL300000352188	0	33	-2.0	-106.35	320.20	4.48	-101.87
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000352189	0	27	-2.0	-101.36	297.01	5.11	-96.25
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352191	1	36	-2.0	-112.11	343.04	3.57	-108.54
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000352192	0	32	-2.0	-116.20	303.97	4.79	-111.41
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352193	0	29	-2.0	-105.81	309.76	6.30	-99.51
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000352194	0	31	-2.0	-107.00	319.80	4.41	-102.59
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352195	1	34	-2.0	-106.86	301.54	6.87	-99.99
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352196	0	36	-2.0	-125.89	329.81	5.85	-120.04
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352198	0	31	-2.0	-116.03	295.44	6.32	-109.71
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300000352199	0	32	-2.0	-126.29	314.22	5.41	-120.88
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352200	0	41	-2.0	-110.92	366.05	6.81	-104.11
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=CC=C12	REAL300000352201	0	36	-2.0	-129.32	333.73	6.52	-122.80
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352203	1	32	-2.0	-114.61	327.09	2.64	-111.97
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000352204	0	29	-2.0	-119.14	300.61	3.64	-115.50
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352205	0	31	-2.0	-108.42	300.43	2.81	-105.61
COCCOCCOCCS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352206	1	42	-2.0	-109.65	383.69	2.72	-106.93
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-])OCO2	REAL300000352207	1	34	-2.0	-107.20	317.33	4.79	-102.41
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352209	0	34	-2.0	-106.86	322.30	6.46	-100.40
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352210	1	38	-2.0	-112.70	345.71	5.14	-107.56
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352211	0	37	-2.0	-125.80	342.94	7.66	-118.14
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000352213	0	31	-2.0	-115.08	320.79	2.84	-112.24
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000352213	1	30	-3.0	-180.24	317.50	1.71	-178.53
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000352214	1	35	-2.0	-110.91	337.01	4.37	-106.54
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300000352215	1	32	-2.0	-107.10	321.32	4.99	-102.11
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000352216	1	31	-2.0	-100.18	320.17	6.41	-93.77
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000352217	0	33	-2.0	-115.50	332.61	0.97	-114.53
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352218	1	32	-2.0	-116.16	300.70	6.67	-109.49
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352219	1	32	-2.0	-114.94	318.10	6.51	-108.43
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000352220	0	28	-2.0	-104.90	305.70	6.42	-98.48
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352221	1	34	-2.0	-104.35	312.37	7.09	-97.26
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(N)=NO1	REAL300000352222	0	29	-2.0	-101.94	283.38	2.71	-99.23
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352223	0	32	-2.0	-113.63	320.83	5.66	-107.97
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000352224	0	29	-2.0	-106.20	303.34	4.12	-102.08
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=NO1	REAL300000352226	1	39	-2.0	-110.50	357.09	6.14	-104.36
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352227	1	35	-2.0	-112.82	320.80	5.42	-107.40
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000352228	1	35	-2.0	-106.57	336.41	5.99	-100.58
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000352230	0	26	-2.0	-101.06	288.35	4.90	-96.16
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000352231	0	30	-2.0	-108.93	292.44	4.18	-104.75
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000352232	0	33	-2.0	-112.52	317.03	5.72	-106.80
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000352233	0	34	-2.0	-110.98	336.09	6.07	-104.91
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000352234	0	34	-2.0	-105.07	335.16	6.03	-99.04
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1C#N	REAL300000352235	1	32	-2.0	-103.36	315.83	6.24	-97.12
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000352236	0	27	-2.0	-96.70	293.58	4.02	-92.68
COC(C)CS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352237	1	31	-2.0	-108.61	291.84	3.12	-105.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000352238	0	32	-2.0	-114.24	310.82	4.71	-109.53
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1[N+](=O)[O-]	REAL300000352239	0	36	-2.0	-123.27	336.79	8.67	-114.60
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300000352240	1	34	-2.0	-110.84	336.83	7.13	-103.71
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300000352241	1	34	-2.0	-111.06	321.55	5.86	-105.20
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000352242	1	31	-2.0	-109.57	308.02	6.22	-103.35
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000352243	1	38	-2.0	-117.54	350.05	8.76	-108.78
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])N(C)N=C1	REAL300000352245	0	31	-2.0	-104.81	292.70	3.81	-101.00
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])O1	REAL300000352247	0	26	-2.0	-102.61	279.77	3.89	-98.72
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000352248	0	25	-2.0	-107.51	266.95	4.25	-103.26
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000352249	0	25	-2.0	-107.95	258.37	3.23	-104.72
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352250	0	39	-2.0	-119.70	359.17	4.86	-114.84
CC1=CC(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000352251	0	34	-2.0	-91.32	318.96	6.42	-84.90
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000352251	1	33	-3.0	-171.52	320.31	6.45	-165.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000352252	0	31	-2.0	-104.78	303.03	2.04	-102.74
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000352253	0	28	-2.0	-110.94	298.06	5.93	-105.01
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352255	0	39	-2.0	-107.68	354.42	6.49	-101.19
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352256	0	37	-2.0	-112.99	353.37	8.12	-104.87
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352257	0	37	-2.0	-112.84	349.20	7.83	-105.01
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000352258	0	31	-2.0	-114.03	312.40	6.70	-107.33
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352259	1	40	-2.0	-117.05	374.66	7.71	-109.34
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])N(C)N=C1	REAL300000352260	0	37	-2.0	-111.80	345.90	5.41	-106.39
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1C	REAL300000352261	1	40	-2.0	-109.67	368.55	7.46	-102.21
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=C2O1	REAL300000352262	0	39	-2.0	-125.34	353.56	6.56	-118.78
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000352263	0	31	-2.0	-115.98	302.45	3.98	-112.00
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352264	1	34	-2.0	-102.68	330.40	7.15	-95.53
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352265	1	35	-2.0	-114.53	327.19	5.57	-108.96
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000352266	0	28	-2.0	-112.07	298.21	6.20	-105.87
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352267	0	34	-2.0	-137.57	320.25	2.94	-134.63
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=C2C=C1	REAL300000352268	1	37	-2.0	-115.61	343.14	8.28	-107.33
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000352269	0	25	-2.0	-107.50	283.82	4.81	-102.69
CC1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352270	0	28	-2.0	-110.25	289.41	5.01	-105.24
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352271	1	41	-2.0	-115.86	372.29	5.71	-110.15
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000352272	0	25	-2.0	-106.68	274.13	2.16	-104.52
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300000352273	0	33	-2.0	-119.82	330.36	6.41	-113.41
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000352274	0	27	-2.0	-106.82	282.74	3.46	-103.36
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352275	0	37	-2.0	-106.37	340.31	4.40	-101.97
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000352276	0	37	-2.0	-105.68	345.02	3.90	-101.78
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300000352278	1	36	-2.0	-109.97	336.38	6.32	-103.65
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000352279	0	31	-2.0	-108.64	312.02	5.81	-102.83
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352280	0	33	-2.0	-121.19	317.00	4.93	-116.26
CC1=NSC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352281	0	27	-2.0	-103.98	284.32	3.64	-100.34
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300000352283	0	32	-2.0	-109.53	324.26	4.06	-105.47
O=C([O-])C1=CC(F)=C(F)C=C1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000352283	1	32	-2.0	-91.90	318.45	4.35	-87.55
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300000352284	0	34	-2.0	-106.15	329.33	6.64	-99.51
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300000352285	0	32	-2.0	-138.58	307.02	2.62	-135.96
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000352286	1	35	-2.0	-112.10	325.06	7.45	-104.65
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000352287	0	25	-2.0	-109.26	274.12	4.39	-104.87
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=CC=C2NC1=O	REAL300000352288	1	37	-2.0	-107.02	347.34	5.09	-101.93
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300000352289	0	34	-2.0	-124.54	336.67	3.77	-120.77
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C(F)(F)F)=N1	REAL300000352290	0	31	-2.0	-111.33	314.48	4.20	-107.13
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000352291	1	37	-2.0	-111.04	340.68	6.94	-104.10
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000352292	0	29	-2.0	-99.83	302.56	5.78	-94.05
COC(CS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-])C1=CC=CC=C1	REAL300000352293	1	38	-2.0	-110.81	350.60	6.44	-104.37
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])CCCCC1	REAL300000352294	1	43	-2.0	-112.92	361.39	6.90	-106.02
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300000352295	0	33	-2.0	-103.55	325.54	6.59	-96.96
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352296	0	34	-2.0	-96.41	320.30	6.29	-90.12
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352296	1	33	-3.0	-178.56	323.84	6.75	-171.81
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300000352297	0	29	-2.0	-110.45	308.73	4.65	-105.80
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352299	0	28	-2.0	-136.16	281.19	1.29	-134.87
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000352300	0	28	-2.0	-102.07	308.41	5.54	-96.53
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000352301	0	25	-2.0	-112.02	257.46	1.92	-110.10
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000352302	0	33	-2.0	-116.18	312.83	2.26	-113.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000352303	0	31	-2.0	-111.87	305.45	5.97	-105.90
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CN=C1C	REAL300000352304	0	36	-2.0	-103.64	342.08	4.68	-98.96
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000352305	0	29	-2.0	-100.00	299.24	4.20	-95.80
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352306	0	30	-2.0	-101.77	303.39	4.73	-97.04
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300000352307	1	34	-2.0	-104.09	330.27	6.86	-97.23
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352308	1	37	-2.0	-117.24	352.79	6.78	-110.46
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300000352309	1	30	-2.0	-100.81	315.59	5.22	-95.59
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=NN1C	REAL300000352313	0	31	-2.0	-107.63	296.51	3.57	-104.06
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352314	1	32	-2.0	-112.58	306.92	6.43	-106.15
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352315	1	41	-2.0	-124.49	369.79	6.21	-118.28
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352316	0	31	-2.0	-109.51	299.22	3.71	-105.80
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352317	1	35	-2.0	-108.73	347.64	5.58	-103.15
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352318	0	28	-2.0	-101.01	291.72	3.95	-97.06
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300000352320	1	33	-2.0	-108.52	322.27	2.54	-105.98
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000352322	0	28	-2.0	-107.89	291.51	2.88	-105.01
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000352323	0	34	-2.0	-107.45	322.13	5.27	-102.18
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])CCCC1	REAL300000352324	1	40	-2.0	-111.78	349.06	6.48	-105.30
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300000352325	0	36	-2.0	-101.92	346.99	3.91	-98.01
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300000352326	1	35	-2.0	-117.26	331.84	5.09	-112.17
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300000352327	0	31	-2.0	-106.01	313.07	2.91	-103.10
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1Cl	REAL300000352328	1	32	-2.0	-105.00	321.38	5.21	-99.79
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000352329	0	32	-2.0	-119.26	327.43	1.99	-117.27
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000352330	0	30	-3.0	-196.30	307.94	5.93	-190.37
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000352331	0	25	-2.0	-116.90	276.30	3.30	-113.60
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000352332	0	30	-2.0	-123.00	307.04	4.76	-118.24
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000352333	1	33	-2.0	-115.14	311.65	5.18	-109.96
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000352335	0	34	-2.0	-121.84	326.36	7.65	-114.19
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300000352336	0	31	-2.0	-116.25	315.99	4.42	-111.83
CCC1=CC(CC)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(CC)=C1	REAL300000352337	1	46	-2.0	-110.95	380.61	10.23	-100.72
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352338	0	31	-2.0	-112.60	302.97	6.85	-105.75
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300000352339	0	32	-2.0	-108.03	320.25	5.47	-102.56
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000352340	0	33	-2.0	-122.58	312.15	5.17	-117.41
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300000352341	0	37	-2.0	-115.56	347.04	8.37	-107.19
CCC(CS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-])OC	REAL300000352342	1	34	-2.0	-110.13	306.37	4.28	-105.85
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352343	1	41	-2.0	-110.03	364.52	6.79	-103.24
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352344	1	40	-2.0	-110.86	345.07	5.57	-105.29
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)CCOCC1CC1	REAL300000352345	1	35	-2.0	-104.91	326.26	4.72	-100.19
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000352347	0	31	-2.0	-118.46	305.75	6.30	-112.16
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000352348	0	27	-2.0	-103.20	300.88	4.53	-98.67
CN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1Br	REAL300000352349	0	28	-2.0	-104.09	299.43	3.50	-100.59
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000352350	1	33	-2.0	-110.67	319.69	3.80	-106.87
CS(=O)(=NS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-])C1=CC=CC=C1	REAL300000352351	0	35	-2.0	-135.51	338.02	4.06	-131.45
CC1=C(F)C=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000352352	0	34	-2.0	-96.94	327.68	6.52	-90.42
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000352352	1	33	-3.0	-177.86	325.47	6.48	-171.38
COC(CS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-])C1CC1	REAL300000352353	1	35	-2.0	-109.29	318.65	4.73	-104.56
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352354	0	32	-2.0	-113.65	310.50	5.20	-108.45
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300000352355	1	31	-2.0	-100.89	315.42	4.45	-96.44
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000352356	1	36	-2.0	-109.65	338.40	7.18	-102.47
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352357	0	44	-2.0	-120.53	380.27	7.46	-113.07
COC(CS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-])C1CCOCC1	REAL300000352358	1	42	-2.0	-112.10	357.68	4.01	-108.09
COC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000352359	0	31	-2.0	-101.49	319.10	2.58	-98.91
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352360	0	27	-2.0	-101.66	274.60	3.25	-98.41
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000352361	1	32	-2.0	-106.82	325.92	3.51	-103.31
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1Cl	REAL300000352362	1	31	-2.0	-106.02	311.32	6.44	-99.58
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000352363	1	34	-2.0	-121.05	323.93	6.33	-114.72
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000352364	0	30	-2.0	-118.40	310.42	6.54	-111.86
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352365	0	33	-2.0	-129.53	315.22	1.19	-128.34
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000352366	1	31	-2.0	-105.13	317.84	3.54	-101.59
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000352367	0	27	-2.0	-115.03	276.35	3.52	-111.51
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000352370	0	27	-2.0	-100.93	277.25	3.50	-97.43
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)CCOCC1CCC1	REAL300000352371	1	38	-2.0	-104.92	342.82	5.25	-99.67
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=CS1	REAL300000352372	0	26	-2.0	-114.51	286.24	4.75	-109.76
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352373	0	35	-2.0	-114.87	343.60	7.10	-107.77
COC(CS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-])C(C)C	REAL300000352375	1	37	-2.0	-109.69	325.35	4.56	-105.13
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000352376	1	28	-2.0	-101.94	298.44	5.92	-96.02
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000352377	0	37	-2.0	-121.13	337.54	5.69	-115.44
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000352378	0	36	-2.0	-121.54	328.04	6.56	-114.98
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352379	0	38	-2.0	-111.84	348.61	4.32	-107.52
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352385	1	35	-2.0	-122.44	331.76	2.78	-119.66
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(=O)NC1=O	REAL300000352386	0	31	-2.0	-115.60	304.25	2.04	-113.56
CC(C)OC1(CS(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])CCOC1	REAL300000352387	1	42	-2.0	-110.11	352.12	4.26	-105.85
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])N(C)N=C1	REAL300000352388	0	34	-2.0	-111.52	325.08	4.42	-107.10
COC(CS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300000352389	1	38	-2.0	-107.60	357.02	6.50	-101.10
CCOC(CS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-])C1CC1	REAL300000352390	1	38	-2.0	-109.87	339.26	5.71	-104.16
CC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])N1C	REAL300000352391	0	31	-2.0	-109.43	295.21	4.33	-105.10
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352392	1	41	-2.0	-115.15	365.88	7.01	-108.14
COC(CS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-])C1CCCC1	REAL300000352393	1	41	-2.0	-107.23	349.51	5.68	-101.55
COC(CS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-])C1CCCCC1	REAL300000352394	1	44	-2.0	-107.99	366.09	6.22	-101.77
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000352395	0	33	-2.0	-115.88	323.64	7.46	-108.42
CCC1=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CN1CC1CC1	REAL300000352396	0	41	-2.0	-125.80	374.71	7.29	-118.51
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])O1	REAL300000352397	0	34	-2.0	-106.86	333.28	4.72	-102.14
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=C2C1	REAL300000352398	1	39	-2.0	-117.56	360.82	5.91	-111.65
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000352399	0	31	-2.0	-108.62	315.59	4.84	-103.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300000352400	1	36	-2.0	-108.45	339.51	7.69	-100.76
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352401	0	31	-2.0	-97.68	316.44	4.03	-93.65
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000352402	0	27	-2.0	-107.61	293.19	3.95	-103.66
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300000352403	1	38	-2.0	-124.81	341.94	8.75	-116.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(F)=C1F	REAL300000352405	0	31	-2.0	-115.53	307.97	6.12	-109.41
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])OC=C1	REAL300000352406	0	31	-2.0	-117.94	309.23	4.73	-113.21
CCC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C(C)C=C1OC	REAL300000352407	1	41	-2.0	-110.82	362.07	6.91	-103.91
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=N1	REAL300000352408	0	30	-2.0	-123.71	304.20	4.25	-119.46
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C)=N1	REAL300000352409	0	40	-2.0	-109.33	363.77	6.11	-103.22
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352410	0	29	-3.0	-184.76	300.51	4.03	-180.73
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352411	0	32	-2.0	-106.97	304.71	5.34	-101.63
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C(C)C	REAL300000352412	1	44	-2.0	-112.12	385.82	7.60	-104.52
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000352413	1	40	-2.0	-109.02	354.06	7.60	-101.42
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352414	0	29	-2.0	-101.30	303.08	5.81	-95.49
CN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1C(F)(F)F	REAL300000352415	0	31	-2.0	-105.07	308.99	3.97	-101.10
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000352416	0	30	-2.0	-110.39	299.11	4.39	-106.00
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000352416	1	30	-2.0	-123.03	299.01	4.53	-118.50
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000352417	0	32	-2.0	-120.28	309.58	5.31	-114.97
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352418	0	38	-2.0	-109.54	336.84	5.46	-104.08
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C(C)(C)C)=N1	REAL300000352419	0	40	-2.0	-107.49	341.17	5.86	-101.63
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000352421	0	38	-2.0	-109.82	343.25	5.70	-104.12
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352422	0	31	-2.0	-102.45	310.13	4.25	-98.20
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(Br)=N1	REAL300000352423	0	28	-2.0	-109.27	301.08	3.55	-105.72
CS(=O)(=NS(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-])C1CCCCC1	REAL300000352426	0	41	-2.0	-136.79	363.47	4.75	-132.04
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000352427	0	29	-2.0	-105.73	292.02	3.11	-102.62
O=C([O-])C1=CC(F)=C(F)C=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000352427	1	29	-2.0	-93.31	285.80	3.40	-89.91
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352428	1	38	-2.0	-111.29	353.04	8.13	-103.16
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352429	0	31	-2.0	-125.38	308.12	2.92	-122.46
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352430	0	34	-2.0	-107.06	314.96	4.40	-102.66
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000352431	0	33	-2.0	-110.20	320.86	5.82	-104.38
NC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000352432	0	28	-2.0	-103.80	281.04	2.70	-101.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C#N)=C1	REAL300000352433	0	32	-2.0	-118.42	315.34	6.31	-112.11
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352434	0	32	-2.0	-117.66	307.59	6.58	-111.08
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000352435	1	31	-2.0	-106.39	315.06	6.30	-100.09
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1CC	REAL300000352437	1	44	-2.0	-110.69	390.40	7.86	-102.83
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352438	1	35	-2.0	-114.51	339.58	7.30	-107.21
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352439	1	34	-2.0	-105.40	322.71	7.53	-97.87
COC1=NSC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352440	0	28	-2.0	-101.06	295.09	1.14	-99.92
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])O1	REAL300000352441	1	41	-2.0	-112.86	347.89	5.58	-107.28
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000352442	0	24	-2.0	-103.28	262.58	3.05	-100.23
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352445	0	34	-3.0	-175.87	332.51	5.71	-170.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352445	1	35	-2.0	-89.25	329.83	5.20	-84.05
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000352446	0	32	-2.0	-107.10	315.38	0.95	-106.15
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352447	1	37	-2.0	-106.71	323.04	7.64	-99.07
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000352448	0	28	-2.0	-115.08	290.13	5.45	-109.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C(Cl)O1	REAL300000352450	0	27	-3.0	-169.57	304.41	4.89	-164.68
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000352451	0	33	-2.0	-121.94	312.08	5.85	-116.09
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352452	0	35	-2.0	-112.39	336.26	5.60	-106.79
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1F	REAL300000352453	0	29	-2.0	-114.72	301.64	5.77	-108.95
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])N=N1	REAL300000352454	0	27	-2.0	-118.64	274.79	1.68	-116.96
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352455	0	31	-2.0	-101.94	330.40	4.63	-97.31
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000352456	0	35	-2.0	-109.59	325.74	5.02	-104.57
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000352457	0	35	-2.0	-107.29	321.07	5.33	-101.96
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000352458	0	38	-2.0	-108.24	345.20	5.95	-102.29
O=C([O-])C1=CC(F)=C(F)C=C1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000352459	0	29	-2.0	-90.37	312.05	4.93	-85.44
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000352459	1	28	-3.0	-199.85	314.81	4.95	-194.90
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=NN2C1	REAL300000352460	0	39	-2.0	-116.63	350.88	3.36	-113.27
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300000352461	0	34	-2.0	-111.43	342.68	6.24	-105.19
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000352462	1	34	-2.0	-107.65	326.57	2.57	-105.08
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000352463	0	25	-2.0	-109.36	279.94	3.94	-105.42
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000352464	1	32	-2.0	-101.02	321.71	4.89	-96.13
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000352465	0	35	-2.0	-114.39	320.22	5.37	-109.02
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000352466	0	32	-2.0	-108.37	317.04	4.78	-103.59
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C	REAL300000352467	1	44	-2.0	-112.23	378.57	7.38	-104.85
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352468	0	38	-2.0	-115.89	350.27	6.74	-109.15
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352469	0	31	-2.0	-108.32	300.57	6.02	-102.30
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=C2O1	REAL300000352470	0	36	-2.0	-123.67	333.09	5.92	-117.75
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000352471	0	36	-2.0	-108.96	344.51	5.00	-103.96
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=C2)CC1	REAL300000352472	1	36	-2.0	-112.38	344.08	7.56	-104.82
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352473	0	32	-2.0	-115.01	312.32	6.01	-109.00
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000352474	0	25	-2.0	-108.09	281.27	4.77	-103.32
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352475	0	28	-2.0	-99.75	296.78	3.53	-96.22
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000352476	0	30	-2.0	-101.19	309.74	4.50	-96.69
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352477	0	33	-2.0	-127.12	317.56	4.93	-122.19
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352478	0	30	-2.0	-99.10	291.07	2.68	-96.42
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000352480	1	29	-2.0	-100.03	290.73	4.13	-95.90
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000352481	0	31	-2.0	-114.46	314.68	6.78	-107.68
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000352482	0	31	-2.0	-125.50	320.75	5.05	-120.45
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352483	0	35	-2.0	-105.98	327.78	5.06	-100.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C)=C1F	REAL300000352484	1	37	-2.0	-109.26	331.75	7.72	-101.54
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1OC	REAL300000352485	0	36	-2.0	-112.42	327.71	5.11	-107.31
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300000352486	1	37	-2.0	-120.11	344.17	2.57	-117.54
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000352487	0	31	-2.0	-114.81	305.61	5.64	-109.17
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1OC	REAL300000352488	0	36	-2.0	-120.86	335.27	5.67	-115.19
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C2CCCC2)=N1	REAL300000352489	0	41	-2.0	-114.62	364.62	6.25	-108.37
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C2=CC=CC=C2S1	REAL300000352490	0	32	-2.0	-115.73	326.72	7.28	-108.45
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000352491	0	35	-2.0	-112.01	331.11	5.28	-106.73
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300000352492	1	32	-2.0	-111.13	315.09	4.93	-106.20
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000352493	0	31	-2.0	-119.69	305.28	4.55	-115.14
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C=CC=C21	REAL300000352494	0	33	-2.0	-131.06	320.39	3.75	-127.31
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=C21	REAL300000352495	0	35	-2.0	-112.41	316.51	7.31	-105.10
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CN=C1N	REAL300000352496	1	32	-2.0	-111.11	303.85	3.05	-108.06
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352497	0	28	-2.0	-108.93	293.14	1.21	-107.72
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])N=CN1	REAL300000352498	0	28	-2.0	-122.27	274.78	3.43	-118.84
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000352500	0	31	-2.0	-109.28	309.56	5.73	-103.55
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C2CCC2)=N1	REAL300000352501	0	38	-2.0	-113.58	347.36	5.75	-107.83
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352502	1	46	-2.0	-114.91	389.37	9.25	-105.66
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000352503	0	25	-2.0	-107.45	281.68	4.88	-102.57
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000352504	0	38	-2.0	-110.31	349.83	5.99	-104.32
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000352505	0	32	-2.0	-115.45	313.98	6.47	-108.98
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352506	1	41	-2.0	-120.41	365.64	3.75	-116.66
COC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000352507	0	37	-2.0	-137.84	341.29	6.55	-131.29
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352508	1	37	-2.0	-113.62	340.23	7.56	-106.06
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352509	0	34	-2.0	-103.15	331.12	3.76	-99.39
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352510	0	29	-2.0	-112.99	300.35	5.71	-107.28
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352511	0	35	-2.0	-110.30	321.53	4.88	-105.42
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352513	1	34	-2.0	-112.07	305.97	7.02	-105.05
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352514	0	37	-2.0	-104.02	322.86	5.26	-98.76
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000352515	0	37	-2.0	-110.09	340.33	5.06	-105.03
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000352516	0	35	-2.0	-110.07	324.42	4.44	-105.63
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=CN=C1C(F)(F)F	REAL300000352517	0	33	-2.0	-101.19	326.76	5.16	-96.03
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000352518	0	39	-2.0	-109.43	350.11	6.17	-103.26
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C([N+](=O)[O-])=C1	REAL300000352519	0	30	-2.0	-94.00	314.86	6.09	-87.91
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300000352520	0	31	-2.0	-101.34	321.32	6.43	-94.91
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000352521	1	31	-2.0	-110.52	303.84	6.17	-104.35
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000352522	0	28	-2.0	-108.89	297.38	5.73	-103.16
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000352523	0	28	-2.0	-102.36	307.58	5.45	-96.91
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352524	0	31	-2.0	-104.66	297.01	3.62	-101.04
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1C	REAL300000352526	1	34	-2.0	-112.40	308.34	6.66	-105.74
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000352527	0	31	-2.0	-110.35	303.63	6.37	-103.98
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352528	1	39	-2.0	-121.63	360.42	7.38	-114.25
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000352530	1	38	-2.0	-114.80	356.08	7.03	-107.77
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352531	1	37	-2.0	-111.91	354.29	7.00	-104.91
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000352532	0	29	-2.0	-110.60	308.47	6.19	-104.41
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000352533	0	28	-2.0	-109.94	295.42	5.57	-104.37
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000352534	1	35	-2.0	-113.84	325.06	7.45	-106.39
COC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=CS1	REAL300000352535	0	29	-2.0	-114.69	298.10	3.80	-110.89
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300000352536	0	31	-2.0	-107.61	306.76	6.77	-100.84
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352537	0	34	-2.0	-106.50	340.81	5.65	-100.85
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000352538	0	35	-2.0	-116.05	330.56	7.52	-108.53
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000352539	0	38	-2.0	-107.80	340.66	5.96	-101.84
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352540	0	37	-2.0	-106.51	335.77	5.24	-101.27
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352541	1	37	-2.0	-117.03	347.07	2.86	-114.17
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352543	0	31	-2.0	-119.39	329.78	1.84	-117.55
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])C2=N1	REAL300000352544	0	33	-2.0	-122.45	319.44	3.70	-118.75
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])O1	REAL300000352545	0	31	-2.0	-111.40	301.92	4.95	-106.45
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000352546	0	28	-2.0	-103.86	299.70	4.57	-99.29
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352547	0	32	-2.0	-105.68	316.79	5.26	-100.42
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352548	1	34	-2.0	-112.24	329.05	6.88	-105.36
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000352549	1	32	-2.0	-111.29	315.09	4.93	-106.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])S1	REAL300000352551	0	29	-2.0	-108.13	299.62	3.79	-104.34
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C2=NC=CC=C12	REAL300000352552	0	39	-2.0	-130.04	347.26	7.64	-122.40
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000352554	0	31	-2.0	-105.43	308.51	4.05	-101.38
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352555	1	38	-2.0	-113.79	352.76	6.03	-107.76
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352556	0	38	-2.0	-108.39	355.51	6.54	-101.85
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000352557	0	41	-2.0	-109.41	362.23	6.30	-103.11
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000352558	0	31	-2.0	-114.81	297.54	6.27	-108.54
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352559	1	40	-2.0	-114.66	365.09	8.03	-106.63
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000352560	0	31	-2.0	-115.47	301.34	5.74	-109.73
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000352561	1	30	-2.0	-113.45	306.78	4.74	-108.71
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=N1	REAL300000352562	0	30	-2.0	-108.96	296.55	2.21	-106.75
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000352563	0	31	-2.0	-105.19	317.53	4.26	-100.93
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000352564	0	25	-2.0	-105.02	275.59	3.97	-101.05
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300000352565	0	33	-2.0	-121.07	329.04	6.32	-114.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000352566	1	37	-2.0	-122.08	334.62	8.19	-113.89
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300000352567	1	35	-2.0	-111.04	333.76	5.72	-105.32
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000352568	0	28	-2.0	-106.63	303.38	5.96	-100.67
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])O1	REAL300000352569	0	34	-2.0	-124.36	339.47	1.64	-122.72
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300000352570	0	38	-2.0	-115.60	351.48	6.71	-108.89
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000352572	0	32	-2.0	-111.86	319.65	6.67	-105.19
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000352573	0	31	-2.0	-99.79	321.31	6.16	-93.63
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300000352575	0	24	-2.0	-99.95	279.78	3.78	-96.17
CC1=COC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352576	0	28	-2.0	-110.81	280.43	4.02	-106.79
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1	REAL300000352577	1	38	-2.0	-110.91	362.53	7.24	-103.67
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=NN1	REAL300000352578	0	34	-2.0	-108.89	336.20	3.15	-105.74
COC1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1OC	REAL300000352579	0	33	-2.0	-109.67	328.78	3.37	-106.30
O=C([O-])C1=CC(F)=C(F)C=C1NS(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000352580	0	29	-2.0	-80.23	309.58	3.92	-76.31
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000352580	1	28	-3.0	-170.91	312.41	4.38	-166.53
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000352581	0	27	-2.0	-96.30	293.46	3.98	-92.32
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300000352582	1	32	-2.0	-109.92	321.33	4.99	-104.93
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352583	0	34	-2.0	-110.56	319.24	5.35	-105.21
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(F)C=C3C(=O)[O-])=CC=C21	REAL300000352584	1	35	-2.0	-119.64	329.57	7.11	-112.53
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300000352585	0	31	-2.0	-112.99	306.53	6.74	-106.25
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300000352586	0	25	-2.0	-99.67	300.92	5.44	-94.23
CN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000352587	0	28	-2.0	-104.87	295.73	3.40	-101.47
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300000352588	0	33	-2.0	-109.06	327.29	5.98	-103.08
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352589	0	34	-2.0	-121.87	312.34	7.15	-114.72
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])OC=C1	REAL300000352590	0	26	-2.0	-108.75	280.00	3.80	-104.95
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352591	0	30	-2.0	-100.34	303.58	4.74	-95.60
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352592	1	39	-2.0	-115.25	359.51	6.97	-108.28
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000352593	0	38	-2.0	-112.44	352.64	6.14	-106.30
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C2=NSN=C2C=C1	REAL300000352594	0	32	-2.0	-116.25	314.08	4.70	-111.55
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300000352595	1	34	-2.0	-109.97	338.48	8.12	-101.85
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(=O)NC(=O)N1	REAL300000352596	0	31	-2.0	-115.07	298.90	1.07	-114.00
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352598	0	41	-2.0	-109.20	362.61	6.55	-102.65
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000352599	0	25	-2.0	-106.84	274.63	3.85	-102.99
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000352600	0	25	-2.0	-104.65	284.65	4.86	-99.79
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300000352601	0	34	-2.0	-115.72	334.69	8.19	-107.53
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352602	0	36	-2.0	-107.75	328.15	3.10	-104.65
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000352603	1	35	-2.0	-114.39	319.39	7.52	-106.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C)=N1	REAL300000352607	0	34	-2.0	-104.50	318.69	2.79	-101.71
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352608	0	34	-2.0	-116.10	323.26	3.16	-112.94
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352609	0	31	-2.0	-108.98	318.56	3.02	-105.96
COC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C	REAL300000352610	0	34	-2.0	-106.08	323.15	2.76	-103.32
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=N1	REAL300000352611	0	37	-2.0	-109.99	343.24	5.45	-104.54
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352612	0	37	-2.0	-110.27	339.42	5.09	-105.18
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300000352613	0	27	-2.0	-107.42	303.18	3.33	-104.09
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=CO1	REAL300000352614	0	26	-2.0	-111.11	278.80	3.76	-107.35
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])SC=C1	REAL300000352615	0	26	-2.0	-112.44	285.32	4.72	-107.72
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352616	0	34	-2.0	-105.95	317.58	4.60	-101.35
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1C	REAL300000352617	0	36	-2.0	-103.52	342.62	4.71	-98.81
O=C([O-])C1=CC(F)=C(F)C=C1NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000352618	0	38	-2.0	-96.29	348.85	7.72	-88.57
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000352618	1	37	-3.0	-176.44	350.43	7.79	-168.65
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352619	0	31	-2.0	-116.16	317.71	7.15	-109.01
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000352620	0	35	-2.0	-105.47	328.05	5.45	-100.02
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000352621	0	35	-2.0	-113.02	327.78	6.57	-106.45
COC1=NOC(CS(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352622	0	31	-2.0	-103.06	306.90	1.69	-101.37
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=NN1C(C)C	REAL300000352623	0	37	-2.0	-108.65	338.93	5.14	-103.51
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300000352624	1	35	-2.0	-113.10	335.69	7.54	-105.56
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000352625	0	30	-2.0	-111.13	305.09	4.46	-106.67
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300000352627	1	35	-2.0	-114.61	337.34	7.58	-107.03
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300000352628	0	32	-2.0	-114.27	326.29	5.81	-108.46
O=C([O-])C1=CC(F)=C(F)C=C1NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000352629	0	38	-2.0	-99.32	346.72	7.72	-91.60
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000352629	1	37	-3.0	-189.75	348.39	7.78	-181.97
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000352630	1	29	-2.0	-112.86	286.86	2.49	-110.37
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352631	1	37	-2.0	-113.57	343.23	7.12	-106.45
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000352632	0	31	-2.0	-115.06	313.51	6.28	-108.78
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000352633	0	24	-2.0	-101.22	261.50	2.96	-98.26
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000352634	0	32	-2.0	-124.20	323.73	4.61	-119.59
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300000352635	1	35	-2.0	-120.15	331.67	7.65	-112.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000352636	0	31	-2.0	-110.51	322.88	6.96	-103.55
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300000352637	0	35	-2.0	-112.25	343.78	6.40	-105.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C(C(F)F)=C1	REAL300000352638	1	35	-2.0	-115.84	324.99	5.90	-109.94
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352639	0	33	-2.0	-117.98	316.63	4.93	-113.05
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000352640	0	34	-2.0	-128.87	328.52	6.85	-122.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C2=NC=CC=C12	REAL300000352641	0	36	-2.0	-129.66	333.57	6.51	-123.15
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000352642	0	33	-3.0	-172.52	322.65	5.80	-166.72
CCC1=C(S(=O)(=O)NC2=CC(F)=C(F)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000352642	1	34	-2.0	-90.76	322.78	5.44	-85.32
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352643	0	41	-2.0	-121.81	365.28	7.35	-114.46
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])C=C(Cl)S1	REAL300000352644	0	28	-2.0	-102.61	302.39	5.74	-96.87
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000352645	0	24	-2.0	-105.93	262.43	2.45	-103.48
O=C([O-])C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000352646	0	35	-2.0	-110.69	321.57	4.66	-106.03
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000352647	0	31	-2.0	-117.20	302.75	6.08	-111.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=CC=C1F	REAL300000352651	1	35	-2.0	-110.08	334.33	5.97	-104.11
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000352654	1	31	-2.0	-100.30	319.26	6.74	-93.56
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000352657	1	31	-2.0	-101.95	311.66	6.23	-95.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000352659	0	28	-2.0	-99.20	299.37	5.20	-94.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000352664	1	31	-2.0	-95.22	315.32	5.86	-89.36
CC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000352669	1	31	-2.0	-98.97	309.20	5.32	-93.65
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000352670	1	35	-2.0	-105.58	335.42	5.27	-100.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)S1	REAL300000352675	1	28	-2.0	-94.05	298.44	5.30	-88.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)=C1F	REAL300000352677	1	34	-2.0	-103.36	331.94	6.86	-96.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)C(F)=C1	REAL300000352678	1	31	-2.0	-91.70	311.65	6.24	-85.46
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000352681	0	32	-2.0	-105.56	318.88	4.64	-100.92
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000352687	1	31	-2.0	-93.65	317.92	6.29	-87.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)C=C1C(=O)[O-]	REAL300000352689	1	34	-2.0	-103.02	327.66	6.77	-96.25
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000352690	1	34	-2.0	-109.29	331.55	6.86	-102.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)=C1F	REAL300000352695	1	31	-2.0	-108.54	309.82	6.19	-102.35
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000352697	0	30	-2.0	-101.97	303.48	4.26	-97.71
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=CC=C1F	REAL300000352698	1	35	-2.0	-96.56	334.39	5.97	-90.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)=C(Cl)O1	REAL300000352699	1	28	-2.0	-92.81	306.29	5.16	-87.65
CCC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000352700	1	34	-2.0	-98.93	328.31	6.17	-92.76
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000352701	1	36	-2.0	-105.66	342.23	3.36	-102.30
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000352703	1	36	-2.0	-106.80	337.70	3.33	-103.47
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1F	REAL300000352704	0	40	-2.0	-111.48	365.83	3.12	-108.36
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1F	REAL300000352705	1	40	-2.0	-94.77	369.15	4.62	-90.15
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1F	REAL300000352707	1	42	-2.0	-108.96	370.37	4.68	-104.28
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000352708	0	36	-2.0	-103.72	343.17	3.39	-100.33
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000352709	1	42	-2.0	-94.29	381.27	4.92	-89.37
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000352710	0	33	-2.0	-101.40	330.87	2.34	-99.06
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1F	REAL300000352711	1	39	-2.0	-106.93	353.12	4.11	-102.82
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000352713	1	37	-2.0	-105.46	344.32	2.67	-102.79
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1F	REAL300000352715	0	36	-2.0	-98.31	346.81	3.01	-95.30
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000352717	0	33	-2.0	-103.78	329.35	2.36	-101.42
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(NC(=O)OC)=C1	REAL300000352719	1	42	-2.0	-105.06	367.83	5.04	-100.02
COC(=O)NC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000352720	0	36	-2.0	-100.54	340.70	2.46	-98.08
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000352721	0	40	-2.0	-109.24	366.68	2.41	-106.83
COC(=O)NC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000352722	1	36	-2.0	-103.61	346.29	3.22	-100.39
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000352723	1	36	-2.0	-94.86	342.21	3.37	-91.49
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000352724	0	33	-2.0	-97.05	329.96	2.46	-94.59
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000352725	1	36	-2.0	-98.01	344.09	3.39	-94.62
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000352726	0	36	-2.0	-94.96	343.15	3.40	-91.56
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000352727	0	37	-2.0	-105.49	347.40	1.04	-104.45
COC(=O)NC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000352727	1	37	-2.0	-106.39	336.44	1.92	-104.47
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000352728	1	39	-2.0	-100.10	359.87	4.11	-95.99
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000352729	1	39	-2.0	-105.02	347.22	3.95	-101.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000352734	1	40	-2.0	-106.71	365.72	3.54	-103.17
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000352736	0	36	-2.0	-113.09	341.35	3.36	-109.73
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000352737	0	35	-2.0	-103.56	334.67	1.38	-102.18
COC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1F	REAL300000352738	0	40	-2.0	-99.29	365.90	3.12	-96.17
COC(=O)NC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000352739	0	33	-2.0	-95.00	337.84	2.31	-92.69
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000352740	0	39	-2.0	-100.19	359.82	3.31	-96.88
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000352741	0	33	-2.0	-102.62	329.99	5.05	-97.57
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000352742	0	33	-2.0	-92.95	325.45	5.03	-87.92
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000352743	0	33	-2.0	-104.97	325.45	5.03	-99.94
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(F)F	REAL300000352744	0	37	-2.0	-110.88	353.59	4.82	-106.06
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000352745	0	37	-2.0	-92.69	356.92	6.32	-86.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000352746	0	36	-2.0	-105.99	341.43	5.57	-100.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)=C1C	REAL300000352747	0	39	-2.0	-108.75	358.12	6.38	-102.37
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000352748	0	33	-2.0	-102.68	330.92	5.10	-97.58
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000352749	0	39	-2.0	-91.96	369.04	6.61	-85.35
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000352750	0	30	-2.0	-99.46	318.64	4.05	-95.41
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(F)F	REAL300000352751	0	36	-2.0	-106.65	340.87	5.82	-100.83
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000352752	0	37	-2.0	-91.32	356.52	5.31	-86.01
CN1C=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000352753	0	34	-2.0	-103.36	332.10	4.38	-98.98
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(F)F	REAL300000352754	0	37	-2.0	-107.48	349.22	3.87	-103.61
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)=C1	REAL300000352755	0	33	-2.0	-95.73	334.56	4.71	-91.02
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000352756	0	39	-2.0	-107.80	356.91	6.35	-101.45
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000352757	0	30	-2.0	-100.80	317.10	4.07	-96.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000352758	0	37	-2.0	-110.76	352.74	5.09	-105.67
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(F)F	REAL300000352759	0	39	-2.0	-105.05	355.58	6.75	-98.30
CC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000352760	0	33	-2.0	-99.76	328.46	4.16	-95.60
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)=C1	REAL300000352761	0	37	-2.0	-104.87	354.37	4.12	-100.75
CC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300000352762	0	33	-2.0	-103.01	335.16	4.91	-98.10
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000352763	0	33	-2.0	-92.56	329.97	5.06	-87.50
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000352764	0	30	-2.0	-94.54	317.71	4.14	-90.40
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000352765	0	33	-2.0	-96.06	331.87	5.08	-90.98
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000352766	0	33	-2.0	-92.13	330.91	5.10	-87.03
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000352767	0	34	-2.0	-105.72	335.15	2.74	-102.98
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000352767	1	33	-3.0	-199.23	331.59	3.62	-195.61
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000352768	0	36	-2.0	-96.86	347.64	5.80	-91.06
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(F)F	REAL300000352769	0	36	-2.0	-100.42	335.49	5.66	-94.76
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(F)F	REAL300000352770	0	36	-2.0	-93.28	340.90	5.79	-87.49
CC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)=CC(C(=O)[O-])=C1C	REAL300000352771	0	39	-2.0	-107.76	358.90	6.10	-101.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)C(C)=C1C(=O)[O-]	REAL300000352772	0	39	-2.0	-104.89	359.00	6.43	-98.46
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000352773	0	39	-2.0	-106.70	359.76	6.23	-100.47
CCN1C=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000352774	0	37	-2.0	-104.57	353.39	5.24	-99.33
CC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000352775	0	36	-2.0	-93.03	341.48	5.58	-87.45
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000352776	0	33	-2.0	-107.99	329.08	5.06	-102.93
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000352777	0	32	-2.0	-103.10	322.42	3.09	-100.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1OC(F)F	REAL300000352778	0	37	-2.0	-96.99	353.64	4.82	-92.17
N#CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000352779	0	30	-2.0	-93.53	325.56	4.01	-89.52
CCC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000352780	0	36	-2.0	-99.64	347.56	5.01	-94.63
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000352783	1	38	-2.0	-107.14	353.31	7.67	-99.47
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCSC)C=C1	REAL300000352784	0	42	-2.0	-112.82	381.44	7.48	-105.34
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000352787	0	38	-2.0	-102.73	366.37	8.26	-94.47
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000352788	1	38	-2.0	-102.90	365.80	8.07	-94.83
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000352790	0	38	-2.0	-104.44	358.77	7.75	-96.69
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000352791	1	44	-2.0	-93.42	396.86	9.27	-84.15
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000352792	0	35	-2.0	-101.36	346.48	6.70	-94.66
CSCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000352795	1	39	-2.0	-105.52	359.95	7.04	-98.48
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000352797	0	38	-2.0	-97.35	362.41	7.36	-89.99
CSCCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000352799	1	35	-2.0	-102.79	344.95	6.72	-96.07
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000352801	1	47	-2.0	-110.53	407.20	9.69	-100.84
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCSC)C=C1	REAL300000352803	0	45	-2.0	-113.19	403.73	8.24	-104.95
CSCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000352804	0	41	-2.0	-107.18	384.40	8.20	-98.98
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000352804	1	40	-3.0	-182.22	381.70	8.25	-173.97
CSCCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000352806	0	38	-2.0	-101.08	356.33	6.82	-94.26
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000352807	0	42	-2.0	-108.17	382.26	6.77	-101.40
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000352809	1	41	-2.0	-98.66	374.01	8.50	-90.16
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000352810	1	42	-2.0	-92.22	390.59	8.02	-84.20
CSCCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000352812	1	38	-2.0	-104.65	361.90	7.58	-97.07
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000352813	1	38	-2.0	-91.98	366.35	8.25	-83.73
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000352814	1	38	-2.0	-93.84	357.83	7.73	-86.11
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000352815	0	35	-2.0	-96.14	345.56	6.80	-89.34
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000352816	1	38	-2.0	-97.92	359.70	7.75	-90.17
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000352817	0	41	-2.0	-105.92	379.07	8.39	-97.53
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000352818	0	38	-2.0	-93.81	358.76	7.76	-86.05
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000352820	1	41	-2.0	-100.38	382.74	8.89	-91.49
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000352821	1	38	-2.0	-95.82	364.13	7.78	-88.04
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000352822	1	40	-2.0	-91.77	381.49	8.35	-83.42
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000352823	0	39	-2.0	-107.16	363.01	5.40	-101.76
CSCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000352823	1	39	-2.0	-105.44	362.20	6.18	-99.26
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000352824	1	41	-2.0	-98.09	375.46	8.46	-89.63
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000352829	1	40	-2.0	-104.95	379.87	8.77	-96.18
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000352830	0	38	-2.0	-95.96	365.05	7.81	-88.15
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000352832	0	41	-2.0	-105.62	374.77	8.28	-97.34
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000352833	0	41	-2.0	-104.47	385.07	8.82	-95.65
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000352834	0	41	-2.0	-111.95	378.31	8.38	-103.57
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000352837	1	41	-2.0	-97.02	383.84	8.94	-88.08
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000352838	1	41	-2.0	-104.48	384.52	8.64	-95.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CCSC)C=C2)C=C1C(=O)[O-]	REAL300000352839	1	42	-2.0	-106.81	381.32	7.91	-98.90
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000352843	0	40	-2.0	-113.88	377.05	9.54	-104.34
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000352844	0	38	-2.0	-110.88	356.95	7.71	-103.17
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000352845	1	41	-2.0	-99.50	378.26	8.35	-91.15
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000352846	0	37	-2.0	-104.65	349.51	5.80	-98.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CCSC)C=C1	REAL300000352847	0	42	-2.0	-98.73	381.50	7.48	-91.25
CSCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000352848	0	35	-2.0	-94.71	353.45	6.66	-88.05
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000352849	1	45	-2.0	-100.28	397.28	9.50	-90.78
CSCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000352850	1	45	-2.0	-103.69	398.75	9.56	-94.13
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CCSC)C=C2)C=C(C(=O)[O-])O1	REAL300000352851	0	41	-2.0	-100.97	375.42	7.68	-93.29
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(F)=C2)=C1	REAL300000352856	0	41	-2.0	-105.42	358.40	3.89	-101.53
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(F)=C2)=C1	REAL300000352857	0	38	-2.0	-96.97	352.97	3.15	-93.82
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000352859	1	42	-2.0	-103.88	366.44	3.49	-100.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(F)=C2)=CS1	REAL300000352860	1	38	-2.0	-103.24	344.58	2.85	-100.39
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000352861	0	41	-2.0	-102.05	355.94	2.96	-99.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(F)=C2)S1	REAL300000352863	0	38	-2.0	-92.13	352.05	3.26	-88.87
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(F)=C2)=C1	REAL300000352864	1	41	-2.0	-96.37	366.19	4.19	-92.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(F)=C2)C(F)=C1	REAL300000352865	0	41	-2.0	-94.24	358.39	3.89	-90.35
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(F)=C2)=C1	REAL300000352866	0	42	-2.0	-108.76	362.64	1.54	-107.22
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3CCOCC3)C(F)=C2)=C1	REAL300000352866	1	42	-2.0	-102.50	368.59	2.72	-99.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000352870	1	45	-2.0	-105.14	387.81	4.36	-100.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(F)=C2)=C1F	REAL300000352872	0	41	-2.0	-106.86	363.45	4.17	-102.69
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(F)=C2)=C1	REAL300000352873	0	40	-2.0	-99.36	356.77	2.19	-97.17
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000352874	0	44	-2.0	-102.19	375.06	3.81	-98.38
CN1C=CN=C1SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000352875	1	39	-2.0	-101.98	369.05	7.79	-94.19
CN1C=CN=C1SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000352876	0	39	-2.0	-114.63	369.06	7.79	-106.84
CN1C=CN=C1SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000352877	0	36	-2.0	-109.97	362.25	6.81	-103.16
CN1C=CN=C1SC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000352878	0	40	-2.0	-114.18	375.71	7.14	-107.04
CN1C=CN=C1SC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000352879	0	36	-2.0	-111.67	360.71	6.83	-104.84
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2=NC=CN2C)C=C(C(=O)[O-])O1	REAL300000352880	0	39	-2.0	-110.00	372.06	6.93	-103.07
CN1C=CN=C1SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000352881	0	36	-2.0	-103.71	361.31	6.92	-96.79
CN1C=CN=C1SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000352882	0	38	-2.0	-114.09	365.27	5.91	-108.18
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000352883	0	39	-2.0	-115.78	370.11	5.77	-110.01
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000352884	0	39	-2.0	-102.98	365.59	5.75	-97.23
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000352885	0	39	-2.0	-118.49	364.70	5.71	-112.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000352886	0	42	-2.0	-116.10	381.13	6.22	-109.88
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000352887	0	39	-2.0	-115.57	369.62	5.74	-109.83
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000352888	0	36	-2.0	-111.65	357.32	4.69	-106.96
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(=O)N(C)C	REAL300000352889	0	42	-2.0	-119.70	380.14	6.50	-113.20
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000352890	0	40	-2.0	-115.70	371.36	5.06	-110.64
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000352891	0	36	-2.0	-113.51	356.79	4.72	-108.79
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000352892	0	39	-2.0	-111.19	367.71	4.85	-106.34
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000352893	0	39	-2.0	-101.56	368.65	5.72	-95.84
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000352894	0	36	-2.0	-104.44	357.84	4.87	-99.57
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000352895	0	39	-2.0	-105.30	370.70	5.79	-99.51
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000352896	0	39	-2.0	-101.97	370.17	5.79	-96.18
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000352897	0	40	-2.0	-118.55	375.31	3.44	-115.11
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000352898	0	42	-2.0	-107.57	387.31	6.47	-101.10
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(=O)N(C)C	REAL300000352899	0	42	-2.0	-111.65	374.15	6.32	-105.33
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(=O)N(C)C	REAL300000352900	1	42	-2.0	-103.52	381.01	6.51	-97.01
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(=O)N(C)C)C=C1C(=O)[O-]	REAL300000352901	0	43	-2.0	-117.31	393.13	5.90	-111.41
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(=O)N(C)C)=CC=C1C(=O)[O-]	REAL300000352902	1	42	-2.0	-104.06	384.05	6.35	-97.71
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000352903	0	39	-2.0	-118.42	369.24	5.77	-112.65
CN(C)C(=O)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000352904	0	38	-2.0	-113.42	360.91	3.83	-109.59
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000352905	0	42	-2.0	-111.35	387.72	5.73	-105.62
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000352906	1	39	-2.0	-113.44	370.25	5.69	-107.75
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000352907	1	39	-2.0	-102.22	366.56	5.68	-96.54
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000352908	1	39	-2.0	-114.08	365.70	5.66	-108.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000352909	1	42	-2.0	-117.25	381.19	6.15	-111.10
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000352910	0	39	-2.0	-111.86	371.59	5.70	-106.16
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000352911	0	36	-2.0	-108.41	358.33	4.63	-103.78
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(SC(=O)N(C)C)=C1	REAL300000352912	1	42	-2.0	-114.55	382.01	6.47	-108.08
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000352913	0	40	-2.0	-112.36	371.94	5.02	-107.34
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000352914	0	36	-2.0	-110.09	357.76	4.67	-105.42
CC1=C(S(=O)(=O)[N-]C2=CC=CC(SC(=O)N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000352915	0	39	-2.0	-107.39	368.30	4.80	-102.59
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000352916	1	39	-2.0	-101.41	370.23	5.70	-95.71
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000352917	0	36	-2.0	-104.52	358.38	4.76	-99.76
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000352918	1	39	-2.0	-105.02	371.56	5.68	-99.34
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000352919	0	39	-2.0	-102.02	371.17	5.73	-96.29
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000352920	0	40	-2.0	-113.67	375.83	3.35	-110.32
CN(C)C(=O)SC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000352920	1	40	-2.0	-109.80	374.10	4.25	-105.55
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000352921	1	42	-2.0	-105.71	387.87	6.44	-99.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(SC(=O)N(C)C)=C1	REAL300000352922	1	42	-2.0	-112.00	375.38	6.30	-105.70
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(SC(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000352924	0	43	-2.0	-115.17	393.42	5.88	-109.29
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(SC(=O)N(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000352925	1	42	-2.0	-102.32	381.73	6.20	-96.12
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000352926	0	39	-2.0	-120.85	369.36	5.69	-115.16
CN(C)C(=O)SC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000352927	0	38	-2.0	-111.31	362.28	3.72	-107.59
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(SC(=O)N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000352928	0	42	-2.0	-107.43	388.25	5.62	-101.81
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000352929	1	39	-2.0	-110.17	370.67	5.66	-104.51
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000352930	1	39	-2.0	-100.64	365.70	5.67	-94.97
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000352931	1	39	-2.0	-112.68	366.15	5.62	-107.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000352932	1	42	-2.0	-116.66	385.75	6.30	-110.36
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000352933	0	39	-2.0	-110.31	370.65	5.67	-104.64
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000352934	0	36	-2.0	-106.90	359.79	4.69	-102.21
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC(=O)N(C)C)C=C1	REAL300000352935	1	42	-2.0	-113.37	381.16	6.44	-106.93
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000352936	0	40	-2.0	-110.91	371.82	4.97	-105.94
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000352937	0	36	-2.0	-109.92	357.79	4.67	-105.25
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(=O)N(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000352938	0	39	-2.0	-106.35	369.64	4.81	-101.54
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000352939	1	39	-2.0	-100.14	370.26	5.70	-94.44
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000352940	0	36	-2.0	-102.50	357.99	4.78	-97.72
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000352941	1	39	-2.0	-103.37	373.01	5.74	-97.63
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000352942	0	39	-2.0	-99.97	370.78	5.74	-94.23
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000352943	0	40	-2.0	-112.27	375.03	3.38	-108.89
CN(C)C(=O)SC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000352943	1	40	-2.0	-109.19	374.02	4.10	-105.09
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000352944	1	42	-2.0	-104.09	387.48	6.45	-97.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(=O)N(C)C)C=C1	REAL300000352945	1	42	-2.0	-111.30	379.83	6.40	-104.90
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(=O)N(C)C)C=C1	REAL300000352946	1	42	-2.0	-100.84	381.55	6.41	-94.43
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000352947	0	43	-2.0	-112.14	394.62	5.89	-106.25
CC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(=O)N(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000352948	1	42	-2.0	-100.88	381.19	6.16	-94.72
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000352949	0	39	-2.0	-118.48	368.83	5.65	-112.83
CN(C)C(=O)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000352950	0	38	-2.0	-111.42	361.93	3.77	-107.65
CCC1=C(S(=O)(=O)[N-]C2=CC=C(SC(=O)N(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000352951	0	42	-2.0	-106.21	387.29	5.61	-100.60
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000352952	1	39	-2.0	-105.85	356.47	5.03	-100.82
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000352953	1	39	-2.0	-93.42	352.93	5.15	-88.27
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000352954	1	39	-2.0	-104.96	352.96	5.14	-99.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)OC)C=C1	REAL300000352955	0	43	-2.0	-110.08	381.08	4.95	-105.13
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000352956	1	43	-2.0	-93.22	384.38	6.43	-86.79
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000352957	1	42	-2.0	-108.47	371.44	5.63	-102.84
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000352958	0	39	-2.0	-104.40	365.00	5.57	-98.83
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000352959	1	39	-2.0	-104.20	364.44	5.39	-98.81
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000352960	1	45	-2.0	-111.87	384.33	6.32	-105.55
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000352961	0	39	-2.0	-105.71	357.41	5.06	-100.65
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000352962	1	45	-2.0	-92.23	396.50	6.73	-85.50
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000352963	0	36	-2.0	-102.49	345.12	4.02	-98.47
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000352964	1	42	-2.0	-105.80	368.37	5.93	-99.87
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000352965	1	43	-2.0	-91.80	384.00	5.42	-86.38
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000352966	0	40	-2.0	-103.49	359.59	4.49	-99.00
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1	REAL300000352967	1	43	-2.0	-106.48	376.72	3.98	-102.50
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000352968	0	39	-2.0	-98.19	361.07	4.69	-93.50
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1	REAL300000352969	1	45	-2.0	-107.11	383.96	6.48	-100.63
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000352970	0	36	-2.0	-103.40	343.59	4.04	-99.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)OC)C=C2)C=C1C(=O)[O-]	REAL300000352971	1	43	-2.0	-111.70	380.23	5.21	-106.49
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)OC)C=C1	REAL300000352972	1	45	-2.0	-104.40	383.10	6.87	-97.53
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000352973	0	39	-2.0	-99.17	355.97	4.28	-94.89
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000352974	0	43	-2.0	-108.53	380.90	4.10	-104.43
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000352975	1	42	-2.0	-100.42	372.65	5.82	-94.60
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000352976	0	39	-2.0	-102.39	361.57	5.05	-97.34
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000352977	0	39	-2.0	-93.29	364.98	5.56	-87.73
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000352978	1	39	-2.0	-93.11	357.47	5.18	-87.93
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000352979	0	36	-2.0	-94.97	345.19	4.27	-90.70
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000352980	0	39	-2.0	-99.07	358.34	5.07	-94.00
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000352981	0	42	-2.0	-107.03	377.69	5.70	-101.33
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000352982	0	39	-2.0	-94.78	357.40	5.07	-89.71
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000352983	1	39	-2.0	-91.08	365.44	5.54	-85.54
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000352984	0	40	-2.0	-104.72	362.66	2.84	-101.88
CON(C)C(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000352984	1	40	-2.0	-109.18	360.30	3.75	-105.43
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000352985	1	42	-2.0	-96.48	375.10	5.92	-90.56
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000352986	1	42	-2.0	-103.47	366.10	5.89	-97.58
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000352987	1	42	-2.0	-106.48	376.77	5.65	-100.83
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000352988	1	42	-2.0	-96.26	367.34	5.78	-90.48
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000352989	1	45	-2.0	-110.75	386.19	6.18	-104.57
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1	REAL300000352990	1	45	-2.0	-106.56	386.27	6.54	-100.02
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000352991	0	42	-2.0	-106.77	373.43	5.60	-101.17
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000352992	0	42	-2.0	-111.68	376.94	5.69	-105.99
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)OC)C=C2)C=C1C(=O)[O-]	REAL300000352993	1	45	-2.0	-109.68	387.17	6.31	-103.37
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)OC)C=C2)C=C1C(=O)[O-]	REAL300000352994	0	43	-2.0	-104.73	380.95	5.36	-99.37
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000352995	1	42	-2.0	-95.22	368.90	5.68	-89.54
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1	REAL300000352996	1	42	-2.0	-107.53	371.88	5.82	-101.71
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000352997	0	39	-2.0	-110.11	356.59	5.16	-104.95
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000352998	1	42	-2.0	-98.61	377.79	5.79	-92.82
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000352999	0	38	-2.0	-105.24	348.15	3.13	-102.11
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)OC)C=C1	REAL300000353000	0	43	-2.0	-99.97	380.13	4.81	-95.16
CON(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000353001	0	36	-2.0	-93.25	353.09	4.11	-89.14
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000353002	0	42	-2.0	-102.69	374.06	5.00	-97.69
COC(=O)C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000353019	0	42	-2.0	-108.24	366.39	6.87	-101.37
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000353029	1	38	-2.0	-104.11	345.84	4.78	-99.33
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000353030	1	38	-2.0	-95.04	341.30	4.76	-90.28
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000353031	0	38	-2.0	-106.40	342.39	4.72	-101.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC=C1NC(C)=O	REAL300000353032	0	42	-2.0	-114.21	369.73	4.53	-109.68
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000353033	0	42	-2.0	-94.94	372.77	6.03	-88.91
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000353034	1	41	-2.0	-107.49	356.77	5.27	-102.22
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000353035	0	38	-2.0	-104.23	354.65	5.31	-98.92
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000353036	0	38	-2.0	-102.45	354.11	5.12	-97.33
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000353037	0	44	-2.0	-109.96	375.23	6.06	-103.90
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000353038	0	38	-2.0	-105.74	346.78	4.81	-100.93
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000353039	0	44	-2.0	-94.46	384.89	6.33	-88.13
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000353040	0	35	-2.0	-102.30	334.48	3.76	-98.54
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000353041	0	41	-2.0	-108.17	357.56	5.51	-102.66
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000353042	1	42	-2.0	-93.69	372.39	5.02	-88.67
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000353043	0	39	-2.0	-106.29	348.22	4.09	-102.20
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000353044	1	42	-2.0	-108.65	366.62	3.53	-105.12
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000353045	0	38	-2.0	-97.40	350.70	4.41	-92.99
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000353046	1	44	-2.0	-109.37	372.51	6.06	-103.31
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000353047	0	35	-2.0	-103.76	334.06	3.75	-100.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000353048	1	42	-2.0	-112.20	368.87	4.81	-107.39
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000353049	0	47	-2.0	-110.18	396.02	6.73	-103.45
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC=C1NC(C)=O	REAL300000353050	0	44	-2.0	-106.44	372.54	6.44	-100.00
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC=C1NC(C)=O	REAL300000353051	0	45	-2.0	-113.72	391.73	5.31	-108.41
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000353052	0	40	-3.0	-181.05	369.70	5.31	-175.74
CC(=O)NC1=CC=C(C)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000353052	1	41	-2.0	-109.74	369.41	5.27	-104.47
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000353053	0	45	-2.0	-112.20	386.65	6.62	-105.58
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000353054	0	38	-2.0	-101.22	345.13	3.86	-97.36
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000353055	0	42	-2.0	-108.24	371.38	3.80	-104.44
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000353056	1	45	-2.0	-94.09	392.73	5.72	-88.37
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000353057	0	41	-2.0	-98.80	363.13	5.53	-93.27
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000353058	0	42	-2.0	-93.08	378.60	5.08	-88.00
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000353059	1	45	-2.0	-112.91	390.74	5.71	-107.20
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000353060	0	38	-2.0	-104.60	352.10	4.61	-99.99
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000353061	0	38	-2.0	-92.45	354.63	5.30	-87.15
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000353062	0	38	-2.0	-94.40	346.11	4.77	-89.63
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000353063	0	35	-2.0	-96.39	333.56	3.88	-92.51
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000353064	0	38	-2.0	-97.74	347.72	4.80	-92.94
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000353065	0	41	-2.0	-107.05	367.32	5.45	-101.60
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000353066	0	38	-2.0	-94.07	347.04	4.81	-89.26
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000353067	0	38	-2.0	-92.55	353.80	5.15	-87.40
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000353068	0	41	-2.0	-100.54	371.86	5.92	-94.62
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000353069	0	38	-2.0	-97.22	352.11	4.84	-92.38
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000353070	0	40	-2.0	-93.05	369.77	5.40	-87.65
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000353071	0	39	-2.0	-107.55	352.11	2.43	-105.12
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000353072	0	41	-2.0	-99.26	363.49	5.52	-93.74
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000353073	0	41	-2.0	-103.86	352.75	5.33	-98.53
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000353074	1	41	-2.0	-105.36	366.12	5.40	-99.96
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000353075	1	41	-2.0	-95.12	357.54	5.50	-89.62
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000353076	1	44	-2.0	-111.06	375.68	5.78	-105.28
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000353077	0	40	-2.0	-106.62	368.92	5.81	-100.81
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000353078	0	38	-2.0	-97.11	353.04	4.87	-92.24
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000353079	1	44	-2.0	-107.14	377.04	6.11	-101.03
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000353080	0	41	-2.0	-106.60	362.49	5.33	-101.27
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000353081	0	41	-2.0	-105.91	373.36	5.88	-100.03
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000353082	0	41	-2.0	-109.92	366.63	5.42	-104.50
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000353083	1	44	-2.0	-108.20	376.31	5.93	-102.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2NC(C)=O)C=C1CC(=O)[O-]	REAL300000353084	1	45	-2.0	-109.08	392.06	4.86	-104.22
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000353085	0	41	-2.0	-96.24	367.32	5.89	-90.35
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000353086	0	41	-2.0	-104.01	372.79	5.70	-98.31
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000353087	0	42	-2.0	-107.56	369.53	4.94	-102.62
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000353088	0	41	-2.0	-101.22	370.85	5.70	-95.52
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000353089	1	41	-2.0	-94.69	357.98	5.27	-89.42
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000353090	1	41	-2.0	-105.62	362.37	5.52	-100.10
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000353091	0	40	-2.0	-114.01	366.17	6.57	-107.44
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000353092	0	38	-2.0	-109.22	345.20	4.76	-104.46
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000353093	0	41	-2.0	-99.50	362.44	5.30	-94.20
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000353094	0	44	-2.0	-114.09	383.40	6.84	-107.25
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000353095	0	37	-2.0	-105.81	338.56	2.79	-103.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC=C1NC(C)=O	REAL300000353096	0	42	-2.0	-99.23	369.78	4.54	-94.69
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000353097	0	35	-2.0	-95.86	341.68	3.72	-92.14
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000353098	0	45	-2.0	-102.44	387.71	6.62	-95.82
CC(=O)NC1=CC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000353099	0	45	-2.0	-102.39	385.65	6.60	-95.79
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2NC(C)=O)C=C(C(=O)[O-])O1	REAL300000353100	0	41	-2.0	-100.97	364.55	4.70	-96.27
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000353101	1	39	-2.0	-106.88	353.87	6.66	-100.22
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000353102	1	39	-2.0	-96.95	349.32	6.64	-90.31
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000353103	1	39	-2.0	-109.48	349.00	6.62	-102.86
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000353104	0	43	-2.0	-114.36	377.47	6.43	-107.93
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000353105	1	43	-2.0	-96.29	380.80	7.93	-88.36
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000353106	1	42	-2.0	-110.57	365.35	7.16	-103.41
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000353107	0	39	-2.0	-104.51	362.40	7.20	-97.31
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000353108	1	39	-2.0	-105.26	361.82	7.02	-98.24
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000353109	1	45	-2.0	-111.76	382.01	7.99	-103.77
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000353110	0	39	-2.0	-106.23	354.81	6.69	-99.54
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000353111	1	45	-2.0	-95.52	392.92	8.21	-87.31
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000353112	0	36	-2.0	-103.63	342.48	5.64	-97.99
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000353113	1	42	-2.0	-109.69	364.76	7.41	-102.28
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000353114	1	43	-2.0	-95.11	380.41	6.92	-88.19
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000353115	0	40	-2.0	-107.84	355.98	5.99	-101.85
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000353117	0	39	-2.0	-99.74	358.11	6.30	-93.44
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000353118	1	45	-2.0	-111.21	380.40	7.98	-103.23
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000353119	0	36	-2.0	-105.11	340.98	5.66	-99.45
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000353120	1	43	-2.0	-115.25	376.29	6.69	-108.56
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000353121	1	48	-2.0	-111.89	403.24	8.64	-103.25
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000353122	1	45	-2.0	-107.83	379.17	8.35	-99.48
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000353123	0	46	-2.0	-113.70	399.43	7.17	-106.53
C=C(C)COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000353124	0	42	-2.0	-113.69	384.45	7.06	-106.63
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000353124	1	41	-3.0	-185.36	377.74	7.20	-178.16
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000353125	1	46	-2.0	-113.87	393.24	8.51	-105.36
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000353126	0	39	-2.0	-102.71	352.34	5.77	-96.94
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000353127	0	43	-2.0	-111.52	378.25	5.72	-105.80
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000353128	0	39	-2.0	-101.09	366.92	7.22	-93.87
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000353129	1	46	-2.0	-95.53	400.49	7.61	-87.92
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000353130	1	42	-2.0	-100.23	370.04	7.45	-92.78
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000353131	1	43	-2.0	-94.47	386.64	6.98	-87.49
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)=C1	REAL300000353132	1	46	-2.0	-116.03	398.48	7.61	-108.42
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000353133	0	39	-2.0	-105.91	358.99	6.52	-99.39
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000353134	0	39	-2.0	-94.45	362.35	7.19	-87.26
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000353135	1	39	-2.0	-96.36	353.86	6.67	-89.69
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000353136	0	36	-2.0	-98.59	341.27	5.74	-92.85
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000353137	1	39	-2.0	-100.24	355.41	6.67	-93.57
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000353138	0	42	-2.0	-107.70	375.06	7.33	-100.37
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000353139	0	39	-2.0	-96.38	354.79	6.70	-89.68
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000353140	1	39	-2.0	-94.41	361.49	7.02	-87.39
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000353141	1	42	-2.0	-101.88	378.74	7.83	-94.05
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000353142	1	39	-2.0	-98.34	360.15	6.72	-91.62
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000353143	0	41	-2.0	-94.32	377.53	7.29	-87.03
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000353144	0	40	-2.0	-108.22	359.03	4.35	-103.87
C=C(C)COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000353144	1	40	-2.0	-107.01	358.14	5.21	-101.80
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000353145	1	42	-2.0	-99.98	371.52	7.41	-92.57
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000353146	1	39	-2.0	-99.79	370.04	7.16	-92.63
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000353147	1	42	-2.0	-106.20	359.40	7.27	-98.93
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000353148	1	42	-2.0	-108.24	373.83	7.27	-100.97
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000353149	1	42	-2.0	-96.91	364.74	7.40	-89.51
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000353150	1	45	-2.0	-114.00	386.13	7.80	-106.20
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000353151	0	41	-2.0	-107.59	375.87	7.72	-99.87
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000353152	0	39	-2.0	-97.93	360.75	6.74	-91.19
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000353153	1	45	-2.0	-110.57	382.72	8.04	-102.53
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000353154	0	42	-2.0	-108.53	374.65	7.33	-101.20
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000353155	0	42	-2.0	-106.24	381.10	7.77	-98.47
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000353156	0	42	-2.0	-115.18	374.34	7.32	-107.86
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000353157	1	45	-2.0	-111.30	383.27	7.82	-103.48
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000353158	1	46	-2.0	-110.45	399.81	6.75	-103.70
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000353159	1	42	-2.0	-99.23	375.56	7.81	-91.42
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000353160	1	42	-2.0	-107.03	380.52	7.59	-99.44
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000353161	0	43	-2.0	-109.14	377.43	6.84	-102.30
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000353162	1	42	-2.0	-103.94	383.07	7.70	-96.24
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000353163	1	42	-2.0	-97.01	365.34	7.17	-89.84
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000353164	1	42	-2.0	-107.25	368.87	7.47	-99.78
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000353165	0	41	-2.0	-117.57	372.72	8.48	-109.09
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000353166	0	39	-2.0	-114.38	352.66	6.65	-107.73
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000353167	1	42	-2.0	-102.14	374.24	7.31	-94.83
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000353168	1	45	-2.0	-117.79	390.37	8.75	-109.04
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000353169	0	38	-2.0	-105.75	345.98	4.67	-101.08
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000353170	0	43	-2.0	-101.15	377.53	6.44	-94.71
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000353171	0	36	-2.0	-96.77	349.14	5.59	-91.18
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000353172	1	46	-2.0	-103.05	395.42	8.52	-94.53
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000353173	1	46	-2.0	-107.92	394.77	8.52	-99.40
C=C(C)COC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000353174	0	42	-2.0	-102.51	371.46	6.62	-95.89
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=CC=C1F	REAL300000353175	0	41	-2.0	-109.68	378.36	6.22	-103.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1	REAL300000353176	0	41	-2.0	-100.14	373.81	6.20	-93.94
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=CC=C1	REAL300000353177	0	41	-2.0	-111.85	373.82	6.19	-105.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CCCC1=CC=CC=C1	REAL300000353178	0	45	-2.0	-115.42	401.97	6.00	-109.42
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1	REAL300000353179	0	45	-2.0	-99.26	405.27	7.49	-91.77
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000353180	0	44	-2.0	-112.95	389.86	6.73	-106.22
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=C1	REAL300000353181	0	41	-2.0	-106.21	386.90	6.75	-99.46
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=CC=C1Cl	REAL300000353182	0	41	-2.0	-107.92	386.33	6.58	-101.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=C1C	REAL300000353183	0	47	-2.0	-112.73	406.22	7.49	-105.24
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=C1	REAL300000353184	0	41	-2.0	-107.65	379.30	6.25	-101.40
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1	REAL300000353185	0	47	-2.0	-98.12	417.39	7.78	-90.34
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=C1	REAL300000353186	0	38	-2.0	-106.42	367.01	5.22	-101.20
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CCCC1=CC=CC=C1	REAL300000353187	0	44	-2.0	-110.89	389.26	6.96	-103.93
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1	REAL300000353188	0	45	-2.0	-98.09	404.89	6.48	-91.61
CN1C=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000353189	0	42	-2.0	-110.72	380.48	5.55	-105.17
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CCCC1=CC=CC=C1	REAL300000353190	0	45	-2.0	-111.72	398.03	4.99	-106.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=C1	REAL300000353191	0	41	-2.0	-102.74	382.94	5.88	-96.86
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000353192	0	47	-2.0	-112.24	404.89	7.46	-104.78
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=CS1	REAL300000353193	0	38	-2.0	-107.91	365.48	5.22	-102.69
COC1=CC=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000353194	0	45	-2.0	-117.89	401.11	6.26	-111.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CCCC1=CC=CC=C1	REAL300000353195	0	47	-2.0	-108.66	403.97	7.71	-100.95
CC1=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000353196	0	41	-2.0	-105.17	376.83	5.34	-99.83
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=C1	REAL300000353197	0	45	-2.0	-115.10	402.73	5.29	-109.81
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CCCC1=CC=CC=C1	REAL300000353198	0	44	-2.0	-102.32	394.53	6.99	-95.33
CC1=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300000353199	0	41	-2.0	-107.81	382.43	6.09	-101.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C(Cl)=C1	REAL300000353200	0	41	-2.0	-97.83	386.87	6.74	-91.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1F	REAL300000353201	0	41	-2.0	-99.94	378.35	6.23	-93.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)S1	REAL300000353202	0	38	-2.0	-101.61	366.09	5.32	-96.29
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=CC(F)=C1	REAL300000353203	0	41	-2.0	-103.13	380.23	6.26	-96.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=C1F	REAL300000353204	0	44	-2.0	-109.04	399.59	6.89	-102.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C(F)=C1	REAL300000353205	0	41	-2.0	-99.57	379.29	6.26	-93.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1Cl	REAL300000353206	0	41	-2.0	-97.82	386.32	6.59	-91.23
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=CC(F)=C1F	REAL300000353207	0	41	-2.0	-101.75	384.66	6.28	-95.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=C1	REAL300000353208	0	42	-2.0	-108.91	383.54	3.92	-104.99
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=C1	REAL300000353208	1	41	-3.0	-206.31	379.98	4.79	-201.52
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1	REAL300000353209	0	44	-2.0	-102.10	395.99	6.98	-95.12
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)CCCC1=CC=CC=C1	REAL300000353210	0	44	-2.0	-109.67	383.89	6.81	-102.86
CC1=CC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=CC(C(=O)[O-])=C1F	REAL300000353211	0	44	-2.0	-111.11	398.66	6.84	-104.27
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CCCC1=CC=CC=C1	REAL300000353212	0	44	-2.0	-100.18	388.82	6.91	-93.27
CC1=CC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=CC(C(=O)[O-])=C1C	REAL300000353213	0	47	-2.0	-116.46	410.62	7.36	-109.10
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=C1	REAL300000353214	0	41	-2.0	-100.05	385.58	6.32	-93.73
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C(C)=C1C(=O)[O-]	REAL300000353215	0	47	-2.0	-113.91	408.30	7.56	-106.35
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000353216	0	44	-2.0	-108.65	395.30	6.79	-101.86
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=C1	REAL300000353217	0	44	-2.0	-118.28	398.86	6.88	-111.40
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000353218	0	47	-2.0	-113.43	408.11	7.38	-106.05
CCN1C=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000353219	0	45	-2.0	-112.09	401.84	6.40	-105.69
CC1=CC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000353220	0	44	-2.0	-100.28	389.83	6.74	-93.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CCCC1=CC=CC=C1	REAL300000353221	0	44	-2.0	-108.65	393.78	7.00	-101.65
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=CC=C1	REAL300000353222	0	41	-2.0	-117.51	377.48	6.23	-111.28
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000353223	0	44	-2.0	-103.77	395.01	6.76	-97.01
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=C1	REAL300000353224	0	40	-2.0	-107.10	370.81	4.25	-102.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CCCC1=CC=CC=C1	REAL300000353225	0	45	-2.0	-103.89	402.02	6.00	-97.89
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)=C(Cl)O1	REAL300000353226	0	38	-2.0	-99.77	373.97	5.17	-94.60
CCC1=C(S(=O)(=O)[N-]NC(=O)CCCC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000353227	0	44	-2.0	-104.73	395.95	6.12	-98.61
CC1=CC(C)=C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C2=C1	REAL300000353252	0	44	-2.0	-114.52	369.40	9.23	-105.29
CC1=CC(C)=C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000353272	0	42	-2.0	-114.20	351.40	7.47	-106.73
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2Cl)=C1	REAL300000353315	1	28	-2.0	-101.03	293.49	5.70	-95.33
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC=C2Cl)=C1	REAL300000353317	1	25	-2.0	-98.11	281.21	4.66	-93.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC=C2Cl)=C1	REAL300000353322	1	28	-2.0	-94.32	297.13	5.32	-89.00
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=CC=C2Cl)=C1	REAL300000353331	0	31	-2.0	-106.81	315.89	6.13	-100.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2Cl)S1	REAL300000353348	1	25	-2.0	-93.15	280.29	4.76	-88.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2Cl)=C1F	REAL300000353350	1	31	-2.0	-102.27	313.78	6.34	-95.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2Cl)C(F)=C1	REAL300000353352	1	28	-2.0	-90.75	293.49	5.71	-85.04
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=CC=C2Cl)=C1	REAL300000353358	0	29	-2.0	-108.84	292.68	3.70	-105.14
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2Cl)=C1	REAL300000353366	1	28	-2.0	-92.84	299.78	5.77	-87.07
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000353368	1	31	-2.0	-103.15	313.34	6.33	-96.82
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2Cl)=C1	REAL300000353370	1	31	-2.0	-107.97	313.07	6.33	-101.64
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2Cl)C([N+](=O)[O-])=C1	REAL300000353382	1	33	-2.0	-95.27	328.74	7.80	-87.47
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2Cl)=C1[N+](=O)[O-]	REAL300000353384	1	30	-2.0	-110.29	311.75	7.49	-102.80
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2Cl)=C1F	REAL300000353385	1	28	-2.0	-107.37	291.65	5.67	-101.70
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC=C2Cl)=C1	REAL300000353388	0	27	-2.0	-101.03	285.00	3.69	-97.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2Cl)=C(Cl)O1	REAL300000353390	1	25	-2.0	-91.86	288.16	4.63	-87.23
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1OCC(F)(F)F	REAL300000353394	1	38	-2.0	-94.95	355.13	6.54	-88.41
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1OCC(F)(F)F	REAL300000353395	1	38	-2.0	-107.19	355.16	6.53	-100.66
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC=C1OCC(F)(F)F	REAL300000353396	0	35	-2.0	-101.68	348.35	5.54	-96.14
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC=C1OCC(F)(F)F	REAL300000353397	0	39	-2.0	-105.55	361.80	5.87	-99.68
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1OCC(F)(F)F	REAL300000353398	0	35	-2.0	-102.95	346.81	5.56	-97.39
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC(F)(F)F)=C2C)C=C(C(=O)[O-])O1	REAL300000353399	0	38	-2.0	-101.06	358.16	5.66	-95.40
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC=C1OCC(F)(F)F	REAL300000353400	0	35	-2.0	-96.62	347.41	5.66	-90.96
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1OCC(F)(F)F	REAL300000353401	0	37	-2.0	-104.94	351.37	4.65	-100.29
CC1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000353434	0	37	-2.0	-109.18	340.07	7.76	-101.42
CC1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000353467	0	35	-2.0	-107.59	314.41	5.77	-101.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)C(F)F)=C2)C=C1	REAL300000353512	1	34	-2.0	-98.69	339.55	2.94	-95.75
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)C(F)F)=C2)=C1	REAL300000353513	1	34	-2.0	-111.53	339.56	2.93	-108.60
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)C(F)F)=C2)=C1	REAL300000353514	0	31	-2.0	-105.70	332.73	1.95	-103.75
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)C(F)F)=C2)C=C1C(=O)[O-]	REAL300000353515	0	35	-2.0	-109.84	346.20	2.28	-107.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)C(F)F)=C2)=CS1	REAL300000353516	0	31	-2.0	-107.18	331.21	1.96	-105.22
CC1=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000353517	0	34	-2.0	-105.14	342.56	2.07	-103.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)C(F)F)=C2)S1	REAL300000353518	0	31	-2.0	-100.28	331.82	2.06	-98.22
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)C(F)F)=C2)=C1	REAL300000353519	0	33	-2.0	-109.10	335.77	1.07	-108.03
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000353520	0	41	-2.0	-108.12	383.88	3.39	-104.73
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000353521	0	34	-2.0	-126.24	331.94	4.83	-121.41
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=N1	REAL300000353522	0	42	-2.0	-126.19	387.02	5.90	-120.29
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000353523	0	34	-2.0	-114.67	327.38	4.81	-109.86
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000353524	0	34	-2.0	-127.24	327.39	4.80	-122.44
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=N1	REAL300000353525	0	38	-2.0	-133.68	355.54	4.60	-129.08
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000353526	0	38	-2.0	-114.35	358.86	6.09	-108.26
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000353527	0	37	-2.0	-130.64	343.41	5.33	-125.31
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000353528	0	34	-2.0	-123.12	340.47	5.36	-117.76
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000353529	0	34	-2.0	-124.81	339.91	5.19	-119.62
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000353530	0	40	-2.0	-130.58	360.06	6.14	-124.44
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000353531	0	34	-2.0	-125.37	332.87	4.86	-120.51
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000353532	0	40	-2.0	-113.74	370.98	6.39	-107.35
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000353533	0	31	-2.0	-121.27	320.59	3.82	-117.45
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000353534	0	37	-2.0	-128.34	342.83	5.57	-122.77
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000353535	0	38	-2.0	-112.97	358.45	5.08	-107.89
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000353536	0	35	-2.0	-125.50	334.05	4.14	-121.36
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000353537	0	38	-2.0	-128.55	351.60	3.61	-124.94
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300000353538	0	34	-2.0	-118.22	336.50	4.48	-113.74
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000353539	0	40	-2.0	-129.78	358.85	6.11	-123.67
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000353540	0	31	-2.0	-122.59	319.04	3.83	-118.76
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000353541	0	42	-2.0	-127.24	385.73	4.61	-122.63
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000353542	0	38	-2.0	-135.21	354.69	4.87	-130.34
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000353543	0	44	-2.0	-132.69	382.63	7.42	-125.27
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000353544	0	43	-2.0	-130.87	381.30	6.80	-124.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(=O)OC)C=C1	REAL300000353545	0	40	-2.0	-126.60	357.52	6.51	-120.09
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=N1	REAL300000353546	0	41	-2.0	-134.05	377.83	5.37	-128.68
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000353547	0	36	-3.0	-204.31	355.79	5.36	-198.95
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000353548	0	41	-2.0	-133.01	371.64	6.68	-126.33
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300000353549	0	34	-2.0	-120.77	330.40	3.94	-116.83
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000353550	0	40	-2.0	-133.94	369.57	4.57	-129.37
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=N1	REAL300000353551	0	38	-2.0	-129.36	356.32	3.90	-125.46
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000353552	0	42	-2.0	-115.19	381.03	5.42	-109.77
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000353553	0	34	-2.0	-119.30	344.99	5.38	-113.92
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=N1	REAL300000353554	0	41	-2.0	-113.34	378.55	5.79	-107.55
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000353555	0	37	-2.0	-118.54	348.11	5.61	-112.93
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000353556	0	38	-2.0	-112.25	364.70	5.15	-107.10
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000353557	0	41	-2.0	-135.84	376.55	5.77	-130.07
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300000353558	0	34	-2.0	-124.25	337.09	4.68	-119.57
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000353559	0	34	-2.0	-112.07	340.43	5.35	-106.72
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000353560	0	34	-2.0	-113.63	331.93	4.84	-108.79
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000353561	0	31	-2.0	-116.77	319.65	3.93	-112.84
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000353562	0	34	-2.0	-119.43	333.80	4.86	-114.57
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000353563	0	37	-2.0	-126.90	353.15	5.50	-121.40
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000353564	0	34	-2.0	-114.50	332.85	4.87	-109.63
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000353565	0	34	-2.0	-111.93	339.90	5.20	-106.73
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300000353566	0	37	-2.0	-120.29	356.84	6.00	-114.29
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000353567	0	42	-2.0	-110.86	391.15	6.21	-104.65
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000353568	0	34	-2.0	-115.40	338.22	4.89	-110.51
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000353569	0	36	-2.0	-113.04	355.58	5.47	-107.57
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000353570	0	35	-2.0	-127.64	337.11	2.53	-125.11
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000353571	0	37	-2.0	-119.04	349.58	5.58	-113.46
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000353572	0	34	-2.0	-116.96	348.11	5.33	-111.63
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000353573	0	37	-2.0	-124.39	337.47	5.43	-118.96
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000353574	0	37	-2.0	-125.53	352.23	5.45	-120.08
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000353575	0	37	-2.0	-114.54	342.80	5.56	-108.98
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000353576	0	40	-2.0	-130.45	360.86	5.88	-124.57
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000353577	0	36	-2.0	-124.13	353.94	5.90	-118.23
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000353578	0	34	-2.0	-116.68	339.13	4.92	-111.76
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000353579	0	40	-2.0	-128.87	360.79	6.20	-122.67
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000353580	0	37	-2.0	-126.63	348.87	5.40	-121.23
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=N1	REAL300000353581	0	37	-2.0	-124.94	359.16	5.93	-119.01
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=N1	REAL300000353582	0	37	-2.0	-133.87	352.43	5.49	-128.38
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000353583	0	40	-2.0	-131.54	361.72	5.99	-125.55
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=N1	REAL300000353584	0	41	-2.0	-130.81	377.87	4.93	-125.88
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=N1	REAL300000353585	0	37	-2.0	-117.25	353.66	5.98	-111.27
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000353586	0	37	-2.0	-124.57	358.62	5.76	-118.81
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000353587	0	38	-2.0	-128.50	355.42	5.02	-123.48
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=N1	REAL300000353588	0	46	-2.0	-126.71	392.29	7.65	-119.06
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000353589	0	37	-2.0	-120.50	357.25	5.76	-114.74
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000353590	0	37	-2.0	-114.85	343.39	5.34	-109.51
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000353591	0	39	-2.0	-120.43	370.65	6.99	-113.44
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000353592	0	37	-2.0	-125.53	346.94	5.64	-119.89
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000353593	0	36	-2.0	-136.21	351.15	6.65	-129.56
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000353594	0	34	-2.0	-132.99	331.05	4.83	-128.16
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000353595	0	37	-2.0	-118.76	348.56	5.37	-113.39
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000353596	0	40	-2.0	-138.16	368.44	6.92	-131.24
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000353597	0	33	-2.0	-125.72	324.38	2.85	-122.87
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300000353598	0	38	-2.0	-119.31	355.60	4.61	-114.70
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000353599	0	31	-2.0	-114.59	327.54	3.77	-110.82
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000353600	0	41	-2.0	-121.31	373.52	6.69	-114.62
COC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000353601	0	41	-2.0	-124.89	372.83	6.69	-118.20
CCC1=C(S(=O)(=O)[N-]C2=NN(CC(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000353602	0	37	-2.0	-120.67	349.53	4.79	-115.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=CC=C1F	REAL300000353603	1	32	-2.0	-104.95	320.01	6.30	-98.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C1	REAL300000353604	1	32	-2.0	-94.99	315.46	6.28	-88.71
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1	REAL300000353605	1	32	-2.0	-107.52	315.47	6.27	-101.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(SC(F)F)=C1	REAL300000353606	0	36	-2.0	-112.86	343.61	6.07	-106.79
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C1	REAL300000353607	1	36	-2.0	-94.71	346.94	7.57	-87.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C1C(=O)[O-]	REAL300000353608	1	35	-2.0	-108.67	331.49	6.80	-101.87
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1	REAL300000353609	0	32	-2.0	-103.00	328.54	6.84	-96.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=CC=C1Cl	REAL300000353610	1	32	-2.0	-103.31	327.99	6.66	-96.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1C	REAL300000353611	1	38	-2.0	-110.43	348.15	7.62	-102.81
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1	REAL300000353612	0	32	-2.0	-104.63	320.95	6.33	-98.30
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C1	REAL300000353613	1	38	-2.0	-93.90	359.04	7.86	-86.04
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1	REAL300000353614	0	29	-2.0	-101.53	308.66	5.28	-96.25
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(SC(F)F)=C1	REAL300000353615	1	35	-2.0	-108.25	330.90	7.05	-101.20
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C1C(=O)[O-]	REAL300000353617	0	33	-2.0	-105.88	322.11	5.62	-100.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1	REAL300000353619	0	32	-2.0	-97.86	324.58	5.95	-91.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=CS1	REAL300000353621	0	29	-2.0	-103.02	307.12	5.30	-97.72
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(SC(F)F)=C1	REAL300000353623	1	38	-2.0	-106.67	345.61	7.99	-98.68
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1	REAL300000353624	1	39	-2.0	-112.43	359.72	8.17	-104.26
CC1=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000353625	0	32	-2.0	-101.25	318.48	5.41	-95.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1	REAL300000353626	0	36	-2.0	-108.64	344.46	5.36	-103.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(SC(F)F)=C1	REAL300000353627	1	35	-2.0	-98.79	336.18	7.09	-91.70
CC1=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000353628	0	32	-2.0	-104.71	324.07	6.16	-98.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C(Cl)=C1	REAL300000353629	0	32	-2.0	-92.63	328.52	6.83	-85.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C1F	REAL300000353630	1	32	-2.0	-94.51	320.00	6.31	-88.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)S1	REAL300000353631	0	29	-2.0	-96.49	307.74	5.40	-91.09
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1	REAL300000353632	1	32	-2.0	-98.31	321.88	6.34	-91.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1F	REAL300000353633	0	35	-2.0	-106.03	341.23	6.97	-99.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C(F)=C1	REAL300000353634	0	32	-2.0	-94.50	320.93	6.34	-88.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C1Cl	REAL300000353635	1	32	-2.0	-92.63	327.97	6.67	-85.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=CC(F)=C1F	REAL300000353636	1	32	-2.0	-96.49	326.29	6.36	-90.13
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1	REAL300000353637	0	33	-2.0	-107.11	325.19	3.97	-103.14
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(SC(F)F)=C2)=C1	REAL300000353637	1	33	-2.0	-105.85	324.28	4.85	-101.00
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C1	REAL300000353638	1	35	-2.0	-98.51	337.64	7.05	-91.46
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(SC(F)F)=C1	REAL300000353639	1	35	-2.0	-103.85	325.54	6.91	-96.94
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000353640	1	35	-2.0	-106.27	340.30	6.92	-99.35
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000353642	1	38	-2.0	-111.93	352.27	7.44	-104.49
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1	REAL300000353643	0	32	-2.0	-96.23	327.23	6.40	-89.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C1C(=O)[O-]	REAL300000353645	0	35	-2.0	-106.90	340.79	6.97	-99.93
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1	REAL300000353646	0	35	-2.0	-112.53	340.51	6.96	-105.57
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C1C(=O)[O-]	REAL300000353647	1	38	-2.0	-109.38	349.41	7.46	-101.92
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C1C(=O)[O-]	REAL300000353648	0	36	-2.0	-107.18	343.61	6.48	-100.70
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000353649	1	35	-2.0	-95.19	331.48	6.81	-88.38
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(SC(F)F)=C1	REAL300000353650	1	35	-2.0	-105.88	335.01	7.11	-98.77
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1F	REAL300000353651	0	32	-2.0	-111.72	319.14	6.31	-105.41
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C1C(=O)[O-]	REAL300000353652	1	35	-2.0	-100.16	340.41	6.95	-93.21
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C1	REAL300000353653	0	31	-2.0	-104.43	312.46	4.32	-100.11
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(SC(F)F)=C1	REAL300000353654	0	36	-2.0	-99.30	343.67	6.08	-93.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)=C(Cl)O1	REAL300000353655	0	29	-2.0	-94.96	315.62	5.26	-89.70
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(SC(F)F)=C3)C=C2)CC1	REAL300000353656	1	39	-2.0	-101.54	361.60	8.16	-93.38
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(SC(F)F)=C3)C=C2C1	REAL300000353657	1	39	-2.0	-105.35	360.91	8.16	-97.19
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000353658	0	35	-2.0	-101.12	337.61	6.26	-94.86
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000353659	1	42	-2.0	-85.97	372.70	1.05	-84.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353660	1	35	-2.0	-101.60	320.77	2.50	-99.10
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(N)=O)=C1	REAL300000353661	0	43	-2.0	-103.14	375.86	3.55	-99.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353663	1	35	-2.0	-103.59	316.24	2.46	-101.13
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(N)=O)=C1	REAL300000353664	0	39	-2.0	-109.69	344.38	2.26	-107.43
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000353665	1	39	-2.0	-91.81	347.69	3.76	-88.05
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C(N)=O	REAL300000353667	0	35	-2.0	-99.83	329.32	3.03	-96.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353668	1	35	-2.0	-99.88	328.74	2.86	-97.02
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C(N)=O	REAL300000353669	1	41	-2.0	-107.59	348.91	3.80	-103.79
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(N)=O	REAL300000353670	0	35	-2.0	-101.17	321.73	2.52	-98.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000353671	1	41	-2.0	-90.98	359.81	4.06	-86.92
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(N)=O	REAL300000353672	0	32	-2.0	-98.34	309.41	1.48	-96.86
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C(N)=O	REAL300000353673	1	38	-2.0	-105.51	331.66	3.25	-102.26
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353675	1	36	-2.0	-102.13	322.89	1.82	-100.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(C(N)=O)=C2)=C1	REAL300000353677	0	35	-2.0	-94.38	325.35	2.14	-92.24
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353679	0	32	-2.0	-99.70	307.90	1.49	-98.21
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(N)=O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000353680	1	43	-2.0	-104.27	374.57	2.27	-102.00
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1C(N)=O	REAL300000353682	1	45	-2.0	-109.13	371.47	5.09	-104.04
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1C(N)=O	REAL300000353683	1	44	-2.0	-107.60	370.13	4.48	-103.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(N)=O)=C1	REAL300000353684	1	41	-2.0	-103.87	346.40	4.17	-99.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(N)=O)=C1	REAL300000353685	0	42	-2.0	-109.48	366.67	3.03	-106.45
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353686	0	38	-2.0	-109.74	347.36	3.00	-106.74
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353686	1	37	-3.0	-177.21	344.65	3.03	-174.18
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C(N)=O	REAL300000353687	1	42	-2.0	-109.50	360.50	4.35	-105.15
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000353688	0	35	-2.0	-98.37	319.26	1.61	-96.76
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353689	1	41	-2.0	-108.32	358.40	2.24	-106.08
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(N)=O)=C2)=C1	REAL300000353690	0	39	-2.0	-104.57	345.22	1.55	-103.02
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C(N)=O	REAL300000353692	0	35	-2.0	-96.99	333.82	3.04	-93.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1C(N)=O	REAL300000353693	1	39	-2.0	-89.03	363.34	3.29	-85.74
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C(N)=O	REAL300000353695	1	38	-2.0	-96.13	336.94	3.28	-92.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C(N)=O	REAL300000353696	1	39	-2.0	-90.05	353.53	2.82	-87.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(N)=O)=C2)C=C(C(=O)[O-])S1	REAL300000353698	1	35	-2.0	-102.02	324.83	2.36	-99.66
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C(N)=O	REAL300000353699	0	35	-2.0	-89.47	329.30	3.02	-86.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(N)=O	REAL300000353700	1	35	-2.0	-91.42	320.77	2.51	-88.91
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(N)=O	REAL300000353701	0	32	-2.0	-93.30	308.50	1.60	-91.70
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353702	1	35	-2.0	-94.72	322.64	2.53	-92.19
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C(N)=O	REAL300000353703	0	38	-2.0	-102.72	342.01	3.17	-99.55
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(N)=O)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000353704	0	39	-2.0	-94.10	356.53	3.09	-91.01
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(N)=O	REAL300000353705	0	35	-2.0	-91.01	321.71	2.53	-88.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(N)=O	REAL300000353706	1	35	-2.0	-89.42	328.74	2.86	-86.56
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C(N)=O	REAL300000353707	1	38	-2.0	-97.84	345.68	3.66	-94.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000353708	1	43	-2.0	-88.70	379.98	3.88	-84.82
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353709	1	35	-2.0	-93.34	327.06	2.55	-90.79
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C(N)=O	REAL300000353710	1	37	-2.0	-89.20	344.43	3.14	-86.06
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C(N)=O	REAL300000353711	0	36	-2.0	-104.41	325.96	0.16	-104.25
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C(N)=O	REAL300000353711	1	36	-2.0	-102.29	314.97	1.07	-101.22
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000353712	1	38	-2.0	-95.51	338.41	3.25	-92.26
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353713	1	35	-2.0	-94.71	336.94	2.99	-91.72
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C(N)=O	REAL300000353714	1	38	-2.0	-99.67	326.39	3.10	-96.57
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353718	0	37	-2.0	-102.71	342.81	3.57	-99.14
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C(N)=O	REAL300000353719	0	35	-2.0	-92.89	328.01	2.59	-90.30
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C(N)=O	REAL300000353721	0	38	-2.0	-103.63	341.86	3.17	-100.46
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C(N)=O	REAL300000353722	0	38	-2.0	-101.70	347.98	3.60	-98.10
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(N)=O)=C2)=C1	REAL300000353723	0	38	-2.0	-107.63	341.26	3.16	-104.47
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C(N)=O	REAL300000353726	1	38	-2.0	-93.10	342.28	3.65	-89.45
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353727	1	38	-2.0	-101.27	347.48	3.42	-97.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000353728	1	39	-2.0	-103.37	344.26	2.69	-100.68
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353730	1	38	-2.0	-98.32	350.15	3.53	-94.79
CC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353731	0	44	-2.0	-101.43	365.76	4.55	-96.88
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000353732	1	39	-2.0	-105.38	356.58	3.10	-102.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C(N)=O	REAL300000353734	0	40	-2.0	-95.96	359.74	4.66	-91.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C(N)=O	REAL300000353736	0	37	-2.0	-109.93	339.97	4.32	-105.61
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(N)=O	REAL300000353737	0	35	-2.0	-106.92	319.89	2.50	-104.42
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353738	1	38	-2.0	-96.62	341.48	3.15	-93.47
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353739	1	41	-2.0	-111.83	357.31	4.58	-107.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(N)=O	REAL300000353740	0	34	-2.0	-101.53	313.21	0.52	-101.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(N)=O)=C1	REAL300000353741	0	39	-2.0	-95.92	344.44	2.25	-93.67
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000353742	0	32	-2.0	-92.15	316.40	1.45	-90.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C(N)=O	REAL300000353743	1	42	-2.0	-98.47	362.37	4.36	-94.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C(N)=O	REAL300000353744	1	42	-2.0	-100.72	361.69	4.35	-96.37
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000353745	0	38	-2.0	-98.39	338.38	2.46	-95.93
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300000353746	1	42	-2.0	-89.83	388.25	5.48	-84.35
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000353747	1	35	-2.0	-105.78	336.33	6.92	-98.86
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CSC)C=C1	REAL300000353748	0	43	-2.0	-107.03	391.42	7.98	-99.05
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000353750	1	35	-2.0	-108.49	331.81	6.88	-101.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CSC)C=C1	REAL300000353751	0	39	-2.0	-114.16	359.94	6.69	-107.47
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000353752	1	39	-2.0	-95.83	363.25	8.19	-87.64
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000353754	0	35	-2.0	-104.09	344.87	7.47	-96.62
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000353755	1	35	-2.0	-104.23	344.30	7.29	-96.94
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000353756	1	41	-2.0	-111.37	364.19	8.20	-103.17
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000353757	0	35	-2.0	-105.96	337.27	6.96	-99.00
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000353758	1	41	-2.0	-95.07	375.36	8.48	-86.59
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000353759	0	32	-2.0	-102.74	324.98	5.91	-96.83
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000353760	1	38	-2.0	-109.50	347.23	7.68	-101.82
CSCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000353762	1	36	-2.0	-106.90	338.45	6.25	-100.65
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000353764	0	35	-2.0	-99.29	340.91	6.57	-92.72
CSCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000353766	0	32	-2.0	-104.85	323.44	5.93	-98.92
COC1=CC(S(=O)(=O)[N-]C2=CC=C(CSC)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000353767	1	43	-2.0	-109.55	390.08	6.70	-102.85
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1	REAL300000353769	1	45	-2.0	-113.31	387.03	9.52	-103.79
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000353770	1	44	-2.0	-111.71	385.70	8.90	-102.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CSC)C=C1	REAL300000353771	1	41	-2.0	-107.85	361.94	8.61	-99.24
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CSC)C=C1	REAL300000353772	0	42	-2.0	-114.49	382.23	7.46	-107.03
CSCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000353773	0	38	-2.0	-113.20	366.76	7.33	-105.87
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000353773	1	37	-3.0	-184.45	360.20	7.46	-176.99
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000353774	1	42	-2.0	-114.56	376.04	8.79	-105.77
CSCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000353775	0	35	-2.0	-102.35	334.81	6.03	-96.32
CSCC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000353776	1	41	-2.0	-113.23	373.96	6.67	-106.56
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000353777	0	39	-2.0	-110.28	360.76	5.98	-104.30
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000353779	0	35	-2.0	-100.82	349.39	7.48	-93.34
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000353781	1	38	-2.0	-100.00	352.52	7.71	-92.29
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000353782	1	39	-2.0	-93.69	369.09	7.23	-86.46
CSCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000353784	1	35	-2.0	-105.85	340.40	6.78	-99.07
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000353785	0	35	-2.0	-93.68	344.85	7.46	-86.22
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000353786	1	35	-2.0	-95.75	336.33	6.94	-88.81
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000353787	0	32	-2.0	-97.97	324.07	6.02	-91.95
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000353788	1	35	-2.0	-99.27	338.20	6.96	-92.31
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000353789	0	38	-2.0	-107.37	357.55	7.60	-99.77
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000353790	0	35	-2.0	-95.70	337.26	6.97	-88.73
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000353791	1	35	-2.0	-93.78	344.30	7.30	-86.48
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000353792	1	38	-2.0	-101.65	361.25	8.10	-93.55
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1	REAL300000353793	1	43	-2.0	-92.56	395.54	8.31	-84.25
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000353794	1	35	-2.0	-98.02	342.63	6.99	-91.03
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000353795	1	37	-2.0	-93.89	359.99	7.56	-86.33
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000353796	0	36	-2.0	-108.46	341.51	4.61	-103.85
CSCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000353796	1	36	-2.0	-104.99	340.70	5.39	-99.60
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000353797	1	38	-2.0	-99.82	353.96	7.68	-92.14
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000353798	1	35	-2.0	-99.50	352.51	7.43	-92.07
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000353799	1	38	-2.0	-106.30	345.62	7.63	-98.67
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000353800	1	38	-2.0	-108.12	356.63	7.55	-100.57
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000353803	0	37	-2.0	-107.32	358.37	7.98	-99.34
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000353804	0	35	-2.0	-97.52	343.54	7.02	-90.50
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000353806	0	38	-2.0	-107.04	353.27	7.49	-99.55
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000353807	0	38	-2.0	-105.89	363.56	8.03	-97.86
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000353808	0	38	-2.0	-114.18	356.81	7.59	-106.59
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000353811	1	38	-2.0	-99.23	362.34	8.15	-91.08
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000353812	1	38	-2.0	-106.89	363.01	7.85	-99.04
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CSC)C=C2)C=C1C(=O)[O-]	REAL300000353813	1	39	-2.0	-108.19	359.82	7.12	-101.07
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000353815	1	38	-2.0	-103.67	365.58	7.95	-95.72
CSCC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1	REAL300000353816	0	44	-2.0	-105.39	381.26	9.03	-96.36
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300000353818	0	40	-2.0	-100.71	372.51	9.05	-91.66
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000353820	0	37	-2.0	-116.71	355.55	8.75	-107.96
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000353821	0	35	-2.0	-113.44	335.45	6.92	-106.52
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000353822	1	38	-2.0	-101.82	356.76	7.56	-94.26
CSCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000353823	1	41	-2.0	-116.69	372.84	9.02	-107.67
CSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000353824	0	34	-2.0	-106.32	328.01	5.01	-101.31
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CSC)C=C1	REAL300000353825	0	39	-2.0	-100.49	360.00	6.69	-93.80
CSCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000353826	0	32	-2.0	-96.27	331.95	5.87	-90.40
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000353827	1	42	-2.0	-102.61	377.92	8.78	-93.83
CSCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000353828	1	42	-2.0	-105.63	377.24	8.78	-96.85
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CSC)C=C2)C=C(C(=O)[O-])O1	REAL300000353829	0	38	-2.0	-102.24	353.92	6.88	-95.36
CS(=O)(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000353830	0	34	-2.0	-92.74	334.87	2.83	-89.91
CS(=O)(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000353831	0	34	-2.0	-105.23	334.89	2.81	-102.42
CS(=O)(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000353832	0	31	-2.0	-98.07	328.06	1.84	-96.23
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(S(C)(=O)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000353833	0	35	-2.0	-103.53	341.54	2.18	-101.35
CS(=O)(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000353834	0	31	-2.0	-99.51	326.53	1.85	-97.66
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(S(C)(=O)=O)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000353835	0	34	-2.0	-99.59	337.89	1.97	-97.62
CS(=O)(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000353836	0	31	-2.0	-93.73	327.16	1.95	-91.78
CS(=O)(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000353837	0	33	-2.0	-101.71	331.88	0.88	-100.83
COC1=CC=C(Cl)C2=C1N(S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])CCC2	REAL300000353852	0	40	-2.0	-106.56	339.67	6.46	-100.10
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C)=C1	REAL300000353861	1	42	-2.0	-87.80	371.56	3.65	-84.15
COC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000353863	0	43	-2.0	-105.34	374.72	6.15	-99.19
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000353866	0	39	-2.0	-112.37	343.24	4.86	-107.51
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C)=C1	REAL300000353869	0	35	-2.0	-102.48	328.17	5.64	-96.84
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C(C)=C1	REAL300000353871	0	35	-2.0	-98.08	340.67	6.01	-92.07
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1	REAL300000353873	0	35	-2.0	-104.07	320.58	5.13	-98.94
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1	REAL300000353875	0	32	-2.0	-100.89	308.28	4.08	-96.81
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000353878	1	36	-2.0	-104.92	321.75	4.42	-100.50
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=C1	REAL300000353880	0	35	-2.0	-96.95	324.21	4.75	-92.20
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1	REAL300000353882	1	32	-2.0	-102.27	306.75	4.10	-98.17
COC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000353888	0	42	-2.0	-112.51	365.53	5.63	-106.88
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000353889	0	38	-2.0	-108.82	342.07	5.57	-103.25
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000353891	0	35	-2.0	-100.84	318.11	4.20	-96.64
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000353893	0	39	-2.0	-107.14	344.02	4.15	-102.99
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(C)=C1	REAL300000353896	1	35	-2.0	-99.17	332.70	5.65	-93.52
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=C1	REAL300000353900	1	38	-2.0	-98.40	335.81	5.88	-92.52
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300000353904	1	35	-2.0	-104.29	323.72	4.96	-99.33
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C(C)=C1	REAL300000353905	0	35	-2.0	-96.18	343.33	6.08	-90.10
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=C1	REAL300000353906	1	35	-2.0	-91.61	328.15	5.64	-85.97
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1	REAL300000353908	0	32	-2.0	-95.81	307.36	4.19	-91.62
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000353909	1	35	-2.0	-97.43	321.52	5.12	-92.31
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C)=C1	REAL300000353910	0	38	-2.0	-105.56	340.85	5.76	-99.80
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C(C)=C1	REAL300000353911	0	39	-2.0	-96.29	355.41	5.69	-90.60
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300000353912	0	35	-2.0	-93.44	320.56	5.14	-88.30
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(C)=C1	REAL300000353915	1	43	-2.0	-90.58	378.83	6.48	-84.10
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C)=C1	REAL300000353917	1	37	-2.0	-91.55	343.29	5.73	-85.82
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1	REAL300000353918	0	36	-2.0	-104.78	318.94	3.64	-101.14
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1	REAL300000353918	1	36	-2.0	-106.90	324.82	2.77	-104.13
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300000353925	1	37	-2.0	-104.81	341.66	6.15	-98.66
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=C1	REAL300000353926	0	35	-2.0	-95.65	326.83	5.19	-90.46
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C)=C1	REAL300000353928	0	38	-2.0	-106.41	340.41	5.76	-100.65
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C)=C1	REAL300000353929	0	38	-2.0	-104.28	346.88	6.20	-98.08
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000353930	0	38	-2.0	-110.91	340.14	5.76	-105.15
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C)C=C1C(=O)[O-]	REAL300000353936	1	39	-2.0	-106.22	343.12	5.28	-100.94
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C(C)=C1	REAL300000353938	0	35	-2.0	-94.35	340.71	5.62	-88.73
COC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300000353940	1	44	-2.0	-103.74	364.54	7.20	-96.54
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C(C)=C1	REAL300000353941	1	39	-2.0	-108.01	355.43	5.69	-102.32
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(C)=C1	REAL300000353943	0	40	-2.0	-98.39	358.35	7.26	-91.13
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C)=C1	REAL300000353945	0	37	-2.0	-113.12	338.84	6.91	-106.21
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000353946	0	35	-2.0	-110.08	318.74	5.09	-104.99
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1	REAL300000353949	0	34	-2.0	-104.26	311.31	3.18	-101.08
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300000353950	1	39	-2.0	-98.33	343.30	4.86	-93.47
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000353951	0	32	-2.0	-94.53	315.21	4.04	-90.49
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C)C=C(C(=O)[O-])O1	REAL300000353954	0	38	-2.0	-100.75	337.23	5.05	-95.70
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000353955	0	43	-2.0	-97.85	384.61	4.69	-93.16
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000353956	0	36	-2.0	-115.77	332.70	6.13	-109.64
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(C)N=C21	REAL300000353957	0	44	-2.0	-115.64	387.78	7.18	-108.46
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000353958	0	36	-2.0	-105.41	328.15	6.11	-99.30
CC1=NC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000353959	0	36	-2.0	-118.76	328.16	6.10	-112.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(C)N=C21	REAL300000353960	0	40	-2.0	-123.68	356.30	5.90	-117.78
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000353961	0	40	-2.0	-104.17	359.61	7.39	-96.78
CC1=CC=C(S(=O)(=O)[N-]C2=C3N=C(C)C=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000353962	0	39	-2.0	-120.29	344.18	6.63	-113.66
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=CC=C2C=C1	REAL300000353963	0	36	-2.0	-113.14	341.23	6.66	-106.48
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000353964	0	36	-2.0	-114.32	340.68	6.49	-107.83
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=CC=C2C=C1	REAL300000353965	0	42	-2.0	-120.66	360.82	7.44	-113.22
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=CC=C2C=C1	REAL300000353966	0	36	-2.0	-115.82	333.63	6.16	-109.66
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000353967	0	42	-2.0	-103.48	371.73	7.69	-95.79
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C2C=C1	REAL300000353968	0	33	-2.0	-112.71	321.35	5.11	-107.60
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2N=C(C)C=CC2=CC=C1	REAL300000353969	0	39	-2.0	-118.29	343.59	6.88	-111.41
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000353970	0	40	-2.0	-102.88	359.24	6.38	-96.50
CC1=NC2=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000353971	0	37	-2.0	-116.85	334.81	5.44	-111.41
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2N=C(C)C=CC2=CC=C1	REAL300000353972	0	40	-2.0	-118.80	351.94	4.93	-113.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C3N=C(C)C=CC3=CC=C2)=C1	REAL300000353973	0	36	-2.0	-108.78	337.27	5.78	-103.00
CC1=CC(C)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2N=C(C)C=CC2=CC=C1	REAL300000353974	0	42	-2.0	-119.81	359.61	7.42	-112.39
CC1=NC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000353975	0	33	-2.0	-114.19	319.81	5.13	-109.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(C)N=C32)C=C1C(=O)[O-]	REAL300000353976	0	40	-2.0	-124.57	355.45	6.17	-118.40
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)C=CC=C2C=C1	REAL300000353977	0	46	-2.0	-122.73	383.39	8.73	-114.00
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)C=CC=C2C=C1	REAL300000353978	0	45	-2.0	-120.52	382.06	8.10	-112.42
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(C)N=C21	REAL300000353979	0	42	-2.0	-115.38	358.28	7.82	-107.56
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(C)N=C21	REAL300000353980	0	43	-2.0	-124.88	378.59	6.66	-118.22
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000353981	0	38	-3.0	-197.43	356.56	6.66	-190.77
CC1=NC2=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000353981	1	39	-2.0	-113.19	356.58	6.61	-106.58
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=CC=C2C=C1	REAL300000353982	0	43	-2.0	-123.17	372.41	7.99	-115.18
CC1=C(S(=O)(=O)[N-]C2=C3N=C(C)C=CC3=CC=C2)C=C(C(=O)[O-])O1	REAL300000353983	0	36	-2.0	-111.29	331.17	5.23	-106.06
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(C)N=C32)=C1	REAL300000353984	0	40	-2.0	-120.59	357.07	5.19	-115.40
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)C=CC=C2C=C1	REAL300000353985	0	44	-2.0	-103.78	381.09	6.70	-97.08
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=CC=C2C=C1	REAL300000353986	0	36	-2.0	-109.34	345.75	6.68	-102.66
CC1=CC(S(=O)(=O)[N-]C2=C3N=C(C)C=CC3=CC=C2)=CC=C1OCC(=O)[O-]	REAL300000353987	0	43	-2.0	-103.41	379.32	7.09	-96.32
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=CC=C2C=C1	REAL300000353988	0	39	-2.0	-108.76	348.87	6.91	-101.85
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=CC=C2C=C1	REAL300000353989	0	40	-2.0	-102.05	365.46	6.45	-95.60
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(C)N=C32)C=C1C(=O)[O-]	REAL300000353990	0	43	-2.0	-125.27	377.31	7.07	-118.20
CC1=C(S(=O)(=O)[N-]C2=C3N=C(C)C=CC3=CC=C2)C=C(C(=O)[O-])S1	REAL300000353991	0	36	-2.0	-114.53	337.85	5.98	-108.55
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=CC=C2C=C1	REAL300000353992	0	36	-2.0	-102.38	341.21	6.66	-95.72
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C2C=C1	REAL300000353993	0	36	-2.0	-104.63	332.68	6.14	-98.49
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C2C=C1	REAL300000353994	0	33	-2.0	-107.45	320.42	5.23	-102.22
CC1=NC2=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000353995	0	36	-2.0	-109.28	334.57	6.17	-103.11
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=CC=C2C=C1	REAL300000353996	0	39	-2.0	-117.46	353.90	6.79	-110.67
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=CC=C2C=C1	REAL300000353997	0	36	-2.0	-105.26	333.62	6.17	-99.09
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C2C=C1	REAL300000353998	0	36	-2.0	-102.76	340.65	6.50	-96.26
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)C=CC=C2C=C1	REAL300000353999	0	39	-2.0	-110.36	357.60	7.30	-103.06
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000354000	0	44	-2.0	-100.53	391.89	7.51	-93.02
CC1=NC2=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000354001	0	36	-2.0	-106.91	338.97	6.19	-100.72
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=CC=C2C=C1	REAL300000354002	0	38	-2.0	-103.20	356.35	6.77	-96.43
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=CC=C2C=C1	REAL300000354003	0	37	-2.0	-116.87	337.86	3.82	-113.05
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000354004	0	39	-2.0	-108.82	350.34	6.88	-101.94
CC1=NC2=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000354005	0	36	-2.0	-108.44	348.86	6.63	-101.81
CC1=NC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=CC=C2C=C1	REAL300000354006	0	39	-2.0	-115.01	338.19	6.74	-108.27
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000354007	0	39	-2.0	-117.23	352.99	6.75	-110.48
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2N=C(C)C=CC2=CC=C1	REAL300000354008	0	39	-2.0	-104.85	343.57	6.88	-97.97
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000354009	0	42	-2.0	-122.25	361.62	7.18	-115.07
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000354010	0	38	-2.0	-116.12	354.73	7.19	-108.93
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=CC=C2C=C1	REAL300000354011	0	36	-2.0	-107.37	339.89	6.23	-101.14
CC1=CC=C(S(=O)(=O)[N-]C2=C3N=C(C)C=CC3=CC=C2)C(C)=C1C(=O)[O-]	REAL300000354012	0	42	-2.0	-119.62	361.69	7.50	-112.12
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=CC=C2C=C1	REAL300000354013	0	39	-2.0	-118.32	353.48	6.80	-111.52
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3Cl)C=CC=C2C=C1	REAL300000354014	0	39	-2.0	-115.12	359.94	7.24	-107.88
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(C)N=C32)=C1	REAL300000354015	0	39	-2.0	-124.78	353.20	6.79	-117.99
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(C)N=C32)C=C1C(=O)[O-]	REAL300000354016	0	42	-2.0	-120.96	362.48	7.29	-113.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(C)N=C32)C=C1CC(=O)[O-]	REAL300000354017	0	43	-2.0	-119.68	378.63	6.23	-113.45
CC1=NC2=C([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)C=CC=C2C=C1	REAL300000354018	0	39	-2.0	-107.97	354.42	7.27	-100.70
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C)=C(Cl)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000354019	0	39	-2.0	-116.25	359.38	7.06	-109.19
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(C)N=C32)C=C1C(=O)[O-]	REAL300000354020	0	40	-2.0	-118.24	356.19	6.31	-111.93
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3N=C(C)C=CC3=CC=C2)C(C)=C1CC(=O)[O-]	REAL300000354021	0	48	-2.0	-119.68	393.31	8.97	-110.71
CC1=NC2=C([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000354022	0	39	-2.0	-112.13	358.02	7.07	-105.06
CC1=CC(S(=O)(=O)[N-]C2=C3N=C(C)C=CC3=CC=C2)=CC=C1C(=O)[O-]	REAL300000354023	0	39	-2.0	-105.63	344.16	6.64	-98.99
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2N=C(C)C=CC2=CC=C1	REAL300000354024	0	39	-2.0	-115.56	347.69	6.93	-108.63
CC1=NC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=CC=C2C=C1	REAL300000354025	0	38	-2.0	-126.72	351.89	7.95	-118.77
CC1=NC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=CC=C2C=C1	REAL300000354026	0	36	-2.0	-123.85	331.79	6.12	-117.73
CC1=NC2=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000354027	0	39	-2.0	-110.35	349.32	6.67	-103.68
CC1=NC2=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000354028	0	42	-2.0	-127.52	369.20	8.22	-119.30
CC1=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C2C=C1	REAL300000354029	0	35	-2.0	-116.90	324.37	4.22	-112.68
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(C)N=C21	REAL300000354030	0	40	-2.0	-109.65	356.36	5.89	-103.76
CC1=NC2=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000354031	0	33	-2.0	-105.30	328.26	5.07	-100.23
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=CC=C2C=C1	REAL300000354032	0	43	-2.0	-111.67	374.28	7.99	-103.68
CC1=NC2=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=CC=C2C=C1	REAL300000354033	0	43	-2.0	-115.90	372.24	7.97	-107.93
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(C)N=C32)C=C(C(=O)[O-])O1	REAL300000354034	0	39	-2.0	-110.42	350.28	6.08	-104.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC2=CC=CC=C2)C=C1	REAL300000354035	0	39	-2.0	-95.88	361.78	8.00	-87.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC2=CC=CC=C2)=C1	REAL300000354036	0	39	-2.0	-109.45	361.78	7.99	-101.46
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC2=CC=CC=C2)=C1	REAL300000354037	0	36	-2.0	-103.47	354.97	7.00	-96.47
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000354038	0	40	-2.0	-107.37	368.43	7.33	-100.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC2=CC=CC=C2)=CS1	REAL300000354039	0	36	-2.0	-103.49	353.43	7.02	-96.47
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000354040	0	39	-2.0	-106.23	365.23	7.16	-99.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC2=CC=CC=C2)S1	REAL300000354041	0	36	-2.0	-97.38	354.03	7.11	-90.27
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC2=CC=CC=C2)=C1	REAL300000354042	0	38	-2.0	-106.50	358.76	6.04	-100.46
CCC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000354043	1	45	-2.0	-94.05	394.87	2.68	-91.37
CCC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000354044	1	45	-2.0	-106.39	387.75	2.36	-104.03
CCC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000354045	0	42	-2.0	-104.27	380.92	1.39	-102.88
CCC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000354046	0	46	-2.0	-104.45	401.54	2.03	-102.42
CCC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000354047	0	42	-2.0	-104.85	386.54	1.72	-103.13
CCC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000354048	0	45	-2.0	-100.02	397.92	1.82	-98.20
CCC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000354049	0	42	-2.0	-95.57	387.15	1.81	-93.76
CCC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000354050	0	44	-2.0	-106.54	391.10	0.81	-105.73
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1N1N=NN=C1C	REAL300000354052	1	40	-2.0	-102.15	364.25	4.53	-97.62
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1N1N=NN=C1C	REAL300000354053	0	37	-2.0	-96.73	357.43	3.55	-93.18
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1N1N=NN=C1C	REAL300000354054	1	41	-2.0	-98.86	370.93	3.88	-94.98
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1N1N=NN=C1C	REAL300000354055	1	37	-2.0	-98.10	355.90	3.57	-94.53
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1N1N=NN=C1C	REAL300000354056	0	40	-2.0	-97.04	367.24	3.67	-93.37
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1N1N=NN=C1C	REAL300000354057	0	37	-2.0	-91.66	356.55	3.65	-88.01
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1N1N=NN=C1C	REAL300000354058	0	39	-2.0	-99.22	360.46	2.66	-96.56
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000354059	0	38	-2.0	-117.14	352.93	3.26	-113.88
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000354060	0	38	-2.0	-108.06	348.38	3.23	-104.83
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000354061	0	38	-2.0	-119.87	349.06	3.24	-116.63
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)N(C)C)N=C1	REAL300000354062	0	42	-2.0	-126.13	376.18	3.01	-123.12
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000354063	0	42	-2.0	-107.57	379.86	4.52	-103.05
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)C=C1C(=O)[O-]	REAL300000354064	0	41	-2.0	-122.60	364.00	3.76	-118.84
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000354065	0	38	-2.0	-116.07	361.07	3.80	-112.27
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000354066	0	38	-2.0	-115.49	360.90	3.62	-111.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)=C1C	REAL300000354067	0	44	-2.0	-123.36	380.43	4.52	-118.84
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000354068	0	38	-2.0	-117.93	353.89	3.28	-114.65
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000354069	0	44	-2.0	-107.36	392.62	4.83	-102.53
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000354070	0	35	-2.0	-114.17	341.59	2.26	-111.91
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)N(C)C)N=C1	REAL300000354071	0	41	-2.0	-121.80	364.25	4.00	-117.80
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000354072	0	42	-2.0	-106.45	379.48	3.51	-102.94
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000354073	0	39	-2.0	-118.01	354.62	2.59	-115.42
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)N(C)C)N=C1	REAL300000354074	0	42	-2.0	-121.84	372.62	2.04	-119.80
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)=C1	REAL300000354075	0	38	-2.0	-111.44	357.94	2.89	-108.55
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)C=C1C(=O)[O-]	REAL300000354076	0	44	-2.0	-122.93	380.26	4.52	-118.41
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000354077	0	35	-2.0	-115.47	340.04	2.26	-113.21
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)C=C1C(=O)[O-]	REAL300000354078	0	42	-2.0	-125.68	376.09	3.27	-122.41
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)N(C)C)N=C1	REAL300000354079	0	47	-2.0	-123.93	402.96	5.25	-118.68
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)N(C)C)N=C1	REAL300000354080	0	44	-2.0	-120.08	378.56	4.94	-115.14
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)N(C)C)N=C1	REAL300000354081	0	45	-2.0	-125.60	398.47	3.78	-121.82
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000354082	0	40	-3.0	-195.18	377.46	3.82	-191.36
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000354083	0	45	-2.0	-125.41	392.23	5.13	-120.28
CC1=C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000354084	0	38	-2.0	-114.42	352.07	2.40	-112.02
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)=C1	REAL300000354085	0	42	-2.0	-122.59	377.80	2.31	-120.28
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000354086	0	45	-2.0	-106.95	399.55	4.21	-102.74
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)N(C)C)N=C1	REAL300000354087	0	41	-2.0	-112.02	369.09	4.05	-107.97
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)C=C1C(=O)[O-]	REAL300000354088	0	45	-2.0	-128.24	397.53	4.21	-124.03
CC1=C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000354089	0	38	-2.0	-117.90	357.01	3.12	-114.78
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000354090	0	38	-2.0	-105.64	361.44	3.79	-101.85
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000354091	0	38	-2.0	-107.23	352.54	3.25	-103.98
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000354092	0	35	-2.0	-110.06	341.33	2.37	-107.69
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000354093	0	38	-2.0	-110.81	355.46	3.32	-107.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)=C1F	REAL300000354094	0	41	-2.0	-119.47	374.82	3.95	-115.52
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000354095	0	38	-2.0	-107.49	353.85	3.30	-104.19
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000354096	0	38	-2.0	-105.43	360.51	3.61	-101.82
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000354097	0	38	-2.0	-110.59	359.64	3.31	-107.28
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000354098	0	40	-2.0	-105.06	377.25	3.92	-101.14
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000354099	0	39	-2.0	-120.98	358.12	0.95	-120.03
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000354100	0	41	-2.0	-112.34	371.22	4.03	-108.31
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC(=O)N(C)C)N=C1	REAL300000354101	0	41	-2.0	-116.99	359.13	3.87	-113.12
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000354102	0	41	-2.0	-118.45	373.22	3.88	-114.57
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(=O)N(C)C)N=C1	REAL300000354103	0	41	-2.0	-107.99	363.41	4.01	-103.98
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000354104	0	44	-2.0	-126.15	385.83	4.41	-121.74
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000354105	0	40	-2.0	-117.54	374.97	4.32	-113.22
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000354106	0	38	-2.0	-109.46	360.17	3.35	-106.11
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000354107	0	44	-2.0	-121.17	383.30	4.58	-116.59
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)C=C1C(=O)[O-]	REAL300000354108	0	41	-2.0	-119.01	369.52	3.81	-115.20
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)=C1	REAL300000354109	0	41	-2.0	-125.53	373.42	3.92	-121.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)C=C1C(=O)[O-]	REAL300000354110	0	44	-2.0	-123.41	381.95	4.41	-119.00
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)C=C1CC(=O)[O-]	REAL300000354111	0	45	-2.0	-121.19	398.49	3.34	-117.85
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)C=C1C(=O)[O-]	REAL300000354112	0	42	-2.0	-119.48	376.03	3.44	-116.04
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000354113	0	41	-2.0	-108.03	364.40	3.77	-104.26
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)N(C)C)N=C1	REAL300000354114	0	41	-2.0	-119.07	368.78	4.02	-115.05
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000354115	0	40	-2.0	-127.91	371.72	5.09	-122.82
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000354116	0	38	-2.0	-124.78	351.67	3.24	-121.54
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)C=C1C(=O)[O-]	REAL300000354117	0	41	-2.0	-113.67	372.94	3.90	-109.77
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000354118	0	37	-2.0	-117.62	344.25	1.34	-116.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(=O)N(C)C)N=C1	REAL300000354119	0	42	-2.0	-112.28	376.59	3.03	-109.25
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000354120	0	35	-2.0	-107.91	348.15	2.20	-105.71
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000354121	0	45	-2.0	-114.64	395.18	5.13	-109.51
CN(C)C(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000354122	0	45	-2.0	-116.62	393.45	5.09	-111.53
CCC1=C(S(=O)(=O)[N-]C2=CN(CC(=O)N(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000354123	0	41	-2.0	-114.30	370.54	3.23	-111.07
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300000354124	1	34	-2.0	-94.52	336.11	2.94	-91.58
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000354125	1	34	-2.0	-107.39	336.13	2.92	-104.47
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000354126	0	31	-2.0	-99.82	329.31	1.96	-97.86
CN1C=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000354127	0	35	-2.0	-105.51	342.78	2.29	-103.22
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000354128	0	31	-2.0	-101.66	327.78	1.98	-99.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000354129	0	34	-2.0	-99.70	339.14	2.07	-97.63
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000354130	0	31	-2.0	-95.84	328.40	2.06	-93.78
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000354131	0	33	-2.0	-102.80	333.11	0.99	-101.81
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1	REAL300000354132	0	40	-2.0	-84.81	364.39	3.27	-81.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC=C1F	REAL300000354133	0	33	-2.0	-100.07	312.47	4.71	-95.36
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2CC2)N=C1	REAL300000354134	0	41	-2.0	-101.70	367.56	5.77	-95.93
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354135	0	33	-2.0	-97.82	324.35	5.40	-92.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1	REAL300000354136	0	33	-2.0	-90.37	307.92	4.69	-85.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354137	0	33	-2.0	-102.24	307.93	4.68	-97.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2CC2)N=C1	REAL300000354138	0	37	-2.0	-107.68	336.07	4.48	-103.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC=C1Br	REAL300000354139	0	33	-2.0	-97.78	324.19	5.17	-92.61
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1	REAL300000354140	0	37	-2.0	-90.56	339.38	5.97	-84.59
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000354141	0	36	-2.0	-103.19	323.97	5.21	-97.98
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354142	0	33	-2.0	-98.38	321.00	5.25	-93.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC=C1Cl	REAL300000354143	0	33	-2.0	-98.27	320.45	5.07	-93.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C(Cl)C=C1Cl	REAL300000354144	0	33	-2.0	-94.10	333.50	5.63	-88.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1C	REAL300000354145	0	39	-2.0	-105.51	340.60	6.03	-99.48
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354146	0	33	-2.0	-99.48	313.41	4.74	-94.74
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1	REAL300000354147	0	39	-2.0	-89.67	351.50	6.27	-83.40
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354148	0	30	-2.0	-96.60	301.11	3.69	-92.91
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2CC2)N=C1	REAL300000354149	0	36	-2.0	-103.62	323.37	5.47	-98.15
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1	REAL300000354150	0	37	-2.0	-89.18	339.00	4.96	-84.22
CN1C=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000354151	0	34	-2.0	-100.60	314.58	4.03	-96.57
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2CC2)N=C1	REAL300000354152	0	37	-2.0	-104.35	331.72	3.52	-100.83
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354153	0	33	-2.0	-92.84	317.04	4.36	-88.48
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000354154	0	39	-2.0	-105.02	338.99	6.03	-98.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CS1	REAL300000354155	0	30	-2.0	-98.13	299.58	3.71	-94.42
COC1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000354156	0	41	-2.0	-102.53	366.19	4.49	-98.04
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000354157	0	37	-2.0	-108.10	335.22	4.75	-103.35
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354158	0	43	-2.0	-106.94	363.16	7.31	-99.63
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2CC2)N=C1	REAL300000354159	0	42	-2.0	-105.68	361.83	6.70	-98.98
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2CC2)N=C1	REAL300000354160	0	39	-2.0	-102.42	338.10	6.41	-96.01
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2CC2)N=C1	REAL300000354161	0	40	-2.0	-107.56	358.37	5.24	-102.32
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354162	0	35	-3.0	-175.22	336.33	5.24	-169.98
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354163	0	40	-2.0	-107.28	352.18	6.57	-100.71
CC1=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C(C(=O)[O-])O1	REAL300000354164	0	33	-2.0	-96.70	310.95	3.82	-92.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC2=C1OCCO2	REAL300000354165	0	39	-2.0	-106.83	350.10	4.45	-102.38
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354166	0	37	-2.0	-102.91	336.83	3.78	-99.13
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN=C(C4CC4)N=C3)C=C2C1	REAL300000354167	0	41	-2.0	-90.32	361.56	5.30	-85.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC(Cl)=C1Cl	REAL300000354168	0	33	-2.0	-92.14	335.62	5.53	-86.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C(Cl)C=C1F	REAL300000354169	0	33	-2.0	-95.30	325.52	5.27	-90.03
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1Cl	REAL300000354170	0	37	-2.0	-87.84	355.05	5.50	-82.34
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC=C1OCC(=O)[O-]	REAL300000354171	0	40	-2.0	-89.56	359.09	5.67	-83.89
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1F	REAL300000354172	0	43	-2.0	-88.99	387.68	5.93	-83.06
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2CC2)N=C1	REAL300000354173	0	36	-2.0	-94.38	328.64	5.50	-88.88
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000354174	0	46	-2.0	-89.96	401.53	6.60	-83.36
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1F	REAL300000354175	0	37	-2.0	-88.91	345.25	5.03	-83.88
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000354176	0	40	-2.0	-108.67	357.07	5.65	-103.02
CC1=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C(C(=O)[O-])S1	REAL300000354177	0	33	-2.0	-100.16	316.56	4.57	-95.59
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354178	0	33	-2.0	-92.11	336.15	5.70	-86.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C(Cl)=C1	REAL300000354179	0	33	-2.0	-88.17	320.98	5.25	-82.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C(Br)=C1	REAL300000354180	0	33	-2.0	-87.82	324.33	5.40	-82.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1F	REAL300000354181	0	33	-2.0	-90.09	312.46	4.72	-85.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)S1	REAL300000354182	0	30	-2.0	-91.78	300.20	3.81	-87.97
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354183	0	33	-2.0	-93.33	314.34	4.75	-88.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1F	REAL300000354184	0	36	-2.0	-100.60	333.69	5.38	-95.22
COC1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000354185	0	37	-2.0	-92.78	348.24	5.31	-87.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C(F)=C1	REAL300000354186	0	33	-2.0	-89.50	313.41	4.75	-84.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1Cl	REAL300000354187	0	33	-2.0	-88.06	320.43	5.08	-82.98
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2CC2)N=C1	REAL300000354188	0	36	-2.0	-95.95	337.37	5.89	-90.06
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1	REAL300000354189	0	41	-2.0	-87.56	371.68	6.09	-81.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1Br	REAL300000354190	0	33	-2.0	-87.61	324.17	5.18	-82.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC(F)=C1F	REAL300000354191	0	33	-2.0	-91.83	318.76	4.77	-87.06
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354192	0	35	-2.0	-87.73	336.13	5.35	-82.38
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354193	0	34	-2.0	-102.76	317.65	2.39	-100.37
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1	REAL300000354194	0	36	-2.0	-93.85	330.10	5.46	-88.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC(Cl)=C1F	REAL300000354195	0	33	-2.0	-93.17	328.65	5.21	-87.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C(C2CC2)N=C1	REAL300000354196	0	36	-2.0	-98.58	317.48	5.36	-93.22
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000354197	0	36	-2.0	-101.27	332.78	5.33	-95.94
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C2CC2)N=C1	REAL300000354198	0	36	-2.0	-90.83	323.35	5.46	-85.37
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000354199	0	39	-2.0	-106.28	345.43	5.88	-100.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC=C1[N+](=O)[O-]	REAL300000354200	0	35	-2.0	-101.30	334.51	5.77	-95.53
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354201	0	33	-2.0	-91.22	319.69	4.81	-86.41
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000354202	0	39	-2.0	-102.65	342.41	6.07	-96.58
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000354203	0	36	-2.0	-100.37	329.41	5.28	-95.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1Cl	REAL300000354204	0	36	-2.0	-99.87	339.69	5.82	-94.05
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354205	0	36	-2.0	-106.46	332.94	5.37	-101.09
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000354206	0	39	-2.0	-103.82	342.21	5.87	-97.95
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1CC(=O)[O-]	REAL300000354207	0	40	-2.0	-104.37	358.40	4.81	-99.56
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN=C(C2CC2)N=C1	REAL300000354208	0	36	-2.0	-91.88	334.19	5.86	-86.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1C(F)(F)F	REAL300000354209	0	36	-2.0	-87.17	338.05	5.49	-81.68
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000354210	0	36	-2.0	-99.87	339.17	5.64	-94.23
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354211	0	33	-2.0	-95.04	329.23	5.29	-89.75
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000354212	0	37	-2.0	-101.80	335.96	4.90	-96.90
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C(C)=C1CC(=O)[O-]	REAL300000354213	0	45	-2.0	-102.26	372.93	7.52	-94.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C(F)C(Cl)=C1F	REAL300000354214	0	33	-2.0	-90.20	333.51	5.24	-84.96
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000354215	0	36	-2.0	-96.63	341.68	5.75	-90.88
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C(C(=O)[O-])S1	REAL300000354216	0	42	-2.0	-100.30	357.37	6.80	-93.50
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000354217	0	37	-2.0	-103.87	348.25	5.31	-98.56
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC=C1C(=O)[O-]	REAL300000354218	0	36	-2.0	-90.38	323.94	5.22	-85.16
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C([N+](=O)[O-])=C1	REAL300000354219	0	38	-2.0	-95.19	348.65	6.83	-88.36
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2CC2)N=C1	REAL300000354220	0	36	-2.0	-101.30	327.88	5.50	-95.80
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1[N+](=O)[O-]	REAL300000354221	0	35	-2.0	-109.29	331.68	6.54	-102.75
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1F	REAL300000354222	0	33	-2.0	-105.90	311.59	4.71	-101.19
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000354223	0	36	-2.0	-94.91	332.88	5.36	-89.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=CC2=CC=CC=C21	REAL300000354224	0	39	-2.0	-110.15	348.97	6.80	-103.35
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C1	REAL300000354225	0	32	-2.0	-99.55	304.15	2.80	-96.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C2CC2)N=C1	REAL300000354226	0	37	-2.0	-94.31	336.13	4.48	-89.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)=C(Cl)O1	REAL300000354227	0	30	-2.0	-90.48	308.06	3.64	-86.84
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN=C(C4CC4)N=C3)C=C2)CC1	REAL300000354228	0	40	-2.0	-96.01	351.91	6.51	-89.50
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN=C(C4CC4)N=C3)C=C2C1	REAL300000354229	0	40	-2.0	-99.72	353.38	6.56	-93.16
CCC1=C(S(=O)(=O)[N-]C2=CN=C(C3CC3)N=C2)C=C(C(=O)[O-])O1	REAL300000354230	0	36	-2.0	-96.65	330.09	4.67	-91.98
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000354231	0	44	-2.0	-90.68	380.57	2.09	-88.59
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000354232	0	37	-2.0	-107.15	328.67	3.53	-103.62
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC(C)(C)C	REAL300000354233	0	45	-2.0	-106.37	383.74	4.61	-101.76
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000354234	0	37	-2.0	-103.17	340.54	4.18	-98.99
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000354235	0	37	-2.0	-97.51	324.10	3.51	-94.00
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000354236	0	37	-2.0	-109.39	324.11	3.50	-105.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC(C)(C)C	REAL300000354237	0	41	-2.0	-113.12	352.26	3.31	-109.81
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000354238	0	37	-2.0	-104.89	340.38	3.99	-100.90
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000354239	0	41	-2.0	-96.60	355.57	4.79	-91.81
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C1C(=O)[O-]	REAL300000354240	0	40	-2.0	-110.52	340.16	4.03	-106.49
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000354241	0	37	-2.0	-103.76	337.18	4.06	-99.70
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000354242	0	37	-2.0	-105.39	336.64	3.89	-101.50
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000354243	0	37	-2.0	-99.69	349.68	4.43	-95.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)=C1C	REAL300000354244	0	43	-2.0	-110.33	356.51	4.79	-105.54
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000354245	0	37	-2.0	-105.30	329.59	3.56	-101.74
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000354246	0	43	-2.0	-95.42	367.68	5.09	-90.33
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000354247	0	34	-2.0	-103.92	317.30	2.52	-101.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC(C)(C)C	REAL300000354248	0	40	-2.0	-108.43	339.55	4.27	-104.16
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000354249	0	41	-2.0	-95.33	355.18	3.78	-91.55
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000354250	0	48	-2.0	-92.13	400.96	4.56	-87.57
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000354251	0	34	-2.0	-99.81	334.33	3.28	-96.53
CN1C=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C1C(=O)[O-]	REAL300000354252	0	38	-2.0	-108.24	330.77	2.86	-105.38
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC(C)(C)C	REAL300000354253	0	41	-2.0	-109.19	348.32	2.30	-106.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)=C1	REAL300000354254	0	37	-2.0	-100.18	333.24	3.18	-97.00
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C1C(=O)[O-]	REAL300000354255	0	43	-2.0	-109.59	355.57	4.81	-104.78
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000354256	0	34	-2.0	-105.29	315.77	2.54	-102.75
COC1=CC(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)=CC(C(=O)[O-])=C1OC	REAL300000354257	0	45	-2.0	-110.25	382.45	3.31	-106.94
COC1=CC=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C1C(=O)[O-]	REAL300000354258	0	41	-2.0	-115.31	351.41	3.57	-111.74
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000354259	0	47	-2.0	-112.30	379.35	6.03	-106.27
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC(C)(C)C	REAL300000354260	0	46	-2.0	-110.47	378.02	5.49	-104.98
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC(C)(C)C	REAL300000354261	0	43	-2.0	-106.14	354.26	5.02	-101.12
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC(C)(C)C	REAL300000354262	0	44	-2.0	-111.89	374.55	4.07	-107.82
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000354263	0	39	-3.0	-185.31	352.53	4.06	-181.25
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000354264	0	44	-2.0	-112.67	368.36	5.38	-107.29
CC1=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C(C(=O)[O-])O1	REAL300000354265	0	37	-2.0	-102.64	327.12	2.64	-100.00
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000354266	0	43	-2.0	-114.51	366.28	3.27	-111.24
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)=C1	REAL300000354267	0	41	-2.0	-112.49	353.02	2.60	-109.89
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000354268	0	45	-2.0	-96.55	377.75	4.11	-92.44
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000354269	0	37	-2.0	-99.37	351.80	4.35	-95.02
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000354270	0	37	-2.0	-100.81	341.71	4.08	-96.73
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000354271	0	41	-2.0	-93.99	371.23	4.32	-89.67
CC1=CC(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)=CC=C1OCC(=O)[O-]	REAL300000354272	0	44	-2.0	-95.85	375.27	4.49	-91.36
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000354273	0	47	-2.0	-94.43	403.87	4.75	-89.68
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC(C)(C)C	REAL300000354274	0	40	-2.0	-99.76	344.82	4.30	-95.46
CC1=CC(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)=CC=C1OCCCC(=O)[O-]	REAL300000354275	0	50	-2.0	-95.50	417.72	5.42	-90.08
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000354276	0	41	-2.0	-95.02	361.43	3.85	-91.17
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C1C(=O)[O-]	REAL300000354277	0	44	-2.0	-115.96	373.26	4.47	-111.49
CC1=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C(C(=O)[O-])S1	REAL300000354278	0	37	-2.0	-105.36	332.72	3.40	-101.96
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000354279	0	37	-2.0	-98.08	352.34	4.50	-93.58
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000354280	0	37	-2.0	-95.15	337.17	4.05	-91.10
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000354281	0	37	-2.0	-94.60	340.52	4.18	-90.42
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000354282	0	37	-2.0	-97.21	328.64	3.54	-93.67
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000354283	0	34	-2.0	-99.05	316.38	2.63	-96.42
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000354284	0	37	-2.0	-100.56	330.53	3.57	-96.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)=C1F	REAL300000354285	0	40	-2.0	-106.75	349.87	4.20	-102.55
COC1=CC(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)=C(Cl)C=C1C(=O)[O-]	REAL300000354286	0	41	-2.0	-99.93	364.43	4.11	-95.82
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000354287	0	37	-2.0	-96.97	329.58	3.57	-93.40
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000354288	0	37	-2.0	-95.19	336.61	3.90	-91.29
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC(C)(C)C	REAL300000354289	0	40	-2.0	-101.29	353.56	4.69	-96.60
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000354290	0	45	-2.0	-93.25	387.86	4.91	-88.34
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000354291	0	37	-2.0	-94.75	340.35	4.00	-90.75
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000354292	0	37	-2.0	-99.04	334.94	3.59	-95.45
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000354293	0	39	-2.0	-94.87	352.32	4.17	-90.70
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000354294	0	38	-2.0	-106.53	333.83	1.23	-105.30
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000354294	1	37	-3.0	-204.97	330.27	2.10	-202.87
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000354295	0	40	-2.0	-99.60	346.28	4.28	-95.32
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000354296	0	37	-2.0	-100.43	344.83	4.03	-96.40
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)CC(C)(C)C	REAL300000354297	0	40	-2.0	-107.03	334.18	4.12	-102.91
CC1=CC(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)=CC(C(=O)[O-])=C1F	REAL300000354298	0	40	-2.0	-108.60	348.95	4.15	-104.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CC(C)(C)C	REAL300000354299	0	40	-2.0	-97.50	339.11	4.21	-93.29
CC1=CC(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)=CC(C(=O)[O-])=C1C	REAL300000354300	0	43	-2.0	-113.97	360.92	4.67	-109.30
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000354301	0	39	-2.0	-108.40	350.69	4.60	-103.80
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000354302	0	37	-2.0	-97.64	335.87	3.63	-94.01
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000354303	0	34	-2.0	-96.74	336.69	3.16	-93.58
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C(C)=C1C(=O)[O-]	REAL300000354304	0	43	-2.0	-111.51	357.51	4.82	-106.69
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C1C(=O)[O-]	REAL300000354305	0	40	-2.0	-106.32	345.59	4.10	-102.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)=C1Cl	REAL300000354306	0	40	-2.0	-105.58	355.88	4.62	-100.96
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)=C1	REAL300000354307	0	40	-2.0	-115.72	349.15	4.19	-111.53
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C1C(=O)[O-]	REAL300000354308	0	43	-2.0	-111.07	358.40	4.69	-106.38
COC1=CC=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C1CC(=O)[O-]	REAL300000354309	0	44	-2.0	-113.56	374.59	3.63	-109.93
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)CC(C)(C)C	REAL300000354310	0	40	-2.0	-100.12	350.38	4.60	-95.52
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000354311	0	40	-2.0	-94.18	354.23	4.30	-89.88
CC1=CC(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)=CC(C(=O)[O-])=C1Cl	REAL300000354312	0	40	-2.0	-107.23	355.34	4.46	-102.77
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000354313	0	37	-2.0	-102.39	345.42	4.11	-98.28
CCN1C=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C1C(=O)[O-]	REAL300000354314	0	41	-2.0	-109.50	352.13	3.71	-105.79
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C(C)=C1CC(=O)[O-]	REAL300000354315	0	49	-2.0	-112.44	388.52	6.33	-106.11
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000354316	0	37	-2.0	-96.45	349.72	4.06	-92.39
CC(C)(C)CC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000354316	1	36	-3.0	-194.41	346.54	3.27	-191.14
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000354317	0	41	-2.0	-96.57	368.81	3.80	-92.77
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C1C(=O)[O-]	REAL300000354318	0	40	-2.0	-102.89	353.99	4.47	-98.42
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000354319	0	46	-2.0	-105.29	373.83	5.40	-99.89
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C1C(=O)[O-]	REAL300000354320	0	41	-2.0	-109.35	364.43	4.12	-105.23
CC1=CC(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)=CC=C1C(=O)[O-]	REAL300000354321	0	40	-2.0	-97.64	340.12	4.04	-93.60
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000354322	0	42	-2.0	-103.42	364.83	5.56	-97.86
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC(C)(C)C	REAL300000354323	0	40	-2.0	-106.08	344.07	4.31	-101.77
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000354324	0	39	-2.0	-117.76	347.85	5.36	-112.40
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000354325	0	37	-2.0	-114.88	327.77	3.53	-111.35
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C1C(=O)[O-]	REAL300000354326	0	40	-2.0	-101.21	345.30	4.07	-97.14
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000354327	0	43	-2.0	-117.70	365.16	5.62	-112.08
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000354328	0	36	-2.0	-104.77	321.10	1.55	-103.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CC(C)(C)C	REAL300000354329	0	41	-2.0	-101.35	352.31	3.31	-98.04
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000354330	0	34	-2.0	-97.20	324.26	2.47	-94.73
CC(C)(C)CC(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000354330	1	33	-3.0	-192.22	321.08	1.69	-190.53
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000354331	0	41	-2.0	-104.82	367.90	4.05	-100.77
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000354332	0	40	-2.0	-101.34	367.45	0.54	-100.80
CC(C)(C)CC(=O)[N-][N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000354332	1	39	-3.0	-201.40	364.27	-0.24	-201.64
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000354333	0	44	-2.0	-103.60	368.09	5.33	-98.27
CC(C)(C)CC(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000354334	0	44	-2.0	-108.99	369.56	5.39	-103.60
CCC1=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)C=C(C(=O)[O-])O1	REAL300000354335	0	40	-2.0	-102.11	346.27	3.43	-98.68
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354336	1	40	-2.0	-110.72	350.26	7.08	-103.64
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354337	1	37	-2.0	-112.63	338.63	6.39	-106.24
CC1=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=CC=C1C(=O)[O-]	REAL300000354340	0	31	-2.0	-115.43	288.54	5.93	-109.50
CC1=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354341	0	34	-2.0	-97.60	312.04	5.32	-92.28
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=CC=C1C(=O)[O-]	REAL300000354342	0	30	-2.0	-100.35	295.69	4.36	-95.99
CC1=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=CC=C1C(=O)[O-]	REAL300000354343	1	32	-2.0	-106.29	304.68	6.13	-100.16
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C=CC=C1C(=O)[O-]	REAL300000354344	1	32	-2.0	-101.04	300.87	6.05	-94.99
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=CC=C1C(=O)[O-]	REAL300000354345	0	31	-2.0	-105.06	302.28	6.24	-98.82
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000354346	0	34	-2.0	-103.94	322.26	7.55	-96.39
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=CC=C1C(=O)[O-]	REAL300000354347	0	32	-2.0	-116.06	298.15	5.94	-110.12
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Br	REAL300000354348	1	34	-2.0	-104.02	323.34	6.92	-97.10
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C=CC=C1C(=O)[O-]	REAL300000354350	0	31	-2.0	-108.60	296.55	6.36	-102.24
CC1=C(NS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=CC=C1C(=O)[O-]	REAL300000354353	0	41	-2.0	-98.19	363.85	4.77	-93.42
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=CC=C1C(=O)[O-]	REAL300000354353	1	40	-3.0	-156.60	364.98	4.81	-151.79
CC1=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354354	0	34	-2.0	-108.58	311.54	6.19	-102.39
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])C=CC=C1C(=O)[O-]	REAL300000354356	0	35	-2.0	-104.95	329.35	7.73	-97.22
CC1=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=CC=C1C(=O)[O-]	REAL300000354357	1	40	-2.0	-107.38	346.64	5.68	-101.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000354358	1	36	-2.0	-107.90	328.36	6.93	-100.97
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354359	0	41	-3.0	-174.07	368.12	7.31	-166.76
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1C	REAL300000354359	1	42	-2.0	-103.18	369.10	7.33	-95.85
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354360	0	34	-2.0	-103.51	296.31	3.49	-100.02
CC1=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C=CC=C1C(=O)[O-]	REAL300000354361	0	28	-2.0	-100.93	293.66	5.39	-95.54
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1Cl	REAL300000354362	0	37	-2.0	-104.96	339.78	8.16	-96.80
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=CC=C1C(=O)[O-]	REAL300000354365	1	34	-2.0	-100.47	318.79	6.66	-93.81
CC1=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1C(=O)[O-]	REAL300000354367	0	34	-2.0	-102.63	307.43	6.19	-96.44
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354368	0	39	-2.0	-116.03	337.78	4.73	-111.30
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1OC	REAL300000354369	1	39	-2.0	-107.99	342.54	4.94	-103.05
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354371	0	33	-2.0	-98.83	294.98	4.58	-94.25
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300000354372	1	31	-2.0	-100.79	315.73	6.71	-94.08
CC1=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354373	0	34	-2.0	-106.14	306.91	6.15	-99.99
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354373	1	33	-3.0	-178.03	312.31	6.30	-171.73
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000354374	1	31	-2.0	-99.98	296.52	5.85	-94.13
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354375	0	31	-2.0	-104.53	309.90	6.74	-97.79
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000354376	1	34	-2.0	-105.65	322.55	6.73	-98.92
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354377	1	34	-2.0	-110.21	305.24	6.40	-103.81
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000354379	0	34	-2.0	-111.42	305.93	7.04	-104.38
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000354380	1	34	-2.0	-100.26	335.71	7.16	-93.10
CC1=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300000354381	1	31	-2.0	-106.01	300.58	6.26	-99.75
CC1=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354382	0	34	-2.0	-103.73	332.23	7.24	-96.49
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354383	1	36	-2.0	-107.05	321.30	6.07	-100.98
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300000354386	1	31	-2.0	-100.16	306.41	6.30	-93.86
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354387	1	36	-2.0	-118.99	325.09	6.14	-112.85
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354389	0	37	-2.0	-120.73	325.30	7.05	-113.68
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354390	1	40	-2.0	-103.08	356.69	7.25	-95.83
CC1=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354391	0	31	-2.0	-106.63	308.36	6.68	-99.95
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000354392	1	37	-2.0	-107.11	339.33	6.48	-100.63
CC1=C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)N(C)C)C=C2)C=CC=C1C(=O)[O-]	REAL300000354396	1	42	-2.0	-108.30	375.56	3.66	-104.64
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354397	0	37	-3.0	-181.06	336.65	6.02	-175.04
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1C	REAL300000354397	1	38	-2.0	-104.70	337.64	6.03	-98.67
CC1=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=CC=C1C(=O)[O-]	REAL300000354398	0	38	-2.0	-102.14	338.89	7.48	-94.66
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=CC=C1C(=O)[O-]	REAL300000354398	1	37	-3.0	-162.25	339.97	7.51	-154.74
CC1=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354399	0	31	-2.0	-109.20	303.64	6.97	-102.23
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=CC=C1C(=O)[O-]	REAL300000354400	0	28	-2.0	-100.83	289.02	5.28	-95.55
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354402	0	35	-2.0	-114.81	308.32	5.45	-109.36
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000354403	0	37	-2.0	-106.44	322.30	6.66	-99.78
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354404	0	42	-2.0	-115.66	364.64	4.32	-111.34
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=CC=C1C(=O)[O-]	REAL300000354405	0	31	-2.0	-103.29	298.10	5.85	-97.44
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300000354406	1	31	-2.0	-101.06	317.29	6.77	-94.29
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354407	0	31	-2.0	-109.41	293.20	6.22	-103.19
CC1=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C=CC=C1C(=O)[O-]	REAL300000354408	1	31	-2.0	-105.98	305.14	6.36	-99.62
CC1=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354409	1	33	-2.0	-106.57	312.07	6.41	-100.16
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354410	1	36	-2.0	-104.31	323.75	7.09	-97.22
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354411	1	33	-2.0	-101.02	324.49	6.78	-94.24
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=CC=C1C(=O)[O-]	REAL300000354413	0	33	-2.0	-120.81	298.62	7.04	-113.77
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354414	0	33	-3.0	-171.29	321.57	6.79	-164.50
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354414	1	34	-2.0	-98.46	323.10	6.44	-92.02
CC1=C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354415	0	34	-2.0	-105.12	319.53	6.55	-98.57
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354415	1	33	-3.0	-173.67	324.79	6.69	-166.98
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=CC=C1C(=O)[O-]	REAL300000354418	0	31	-2.0	-104.32	291.95	5.79	-98.53
CC1=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=CC=C1C(=O)[O-]	REAL300000354419	1	31	-2.0	-106.27	290.25	5.81	-100.46
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=CC=C1C(=O)[O-]	REAL300000354420	1	31	-2.0	-100.39	296.64	5.87	-94.52
CC1=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=CC=C1C(=O)[O-]	REAL300000354422	1	37	-2.0	-109.80	328.31	4.90	-104.90
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354424	1	46	-2.0	-109.83	371.74	8.74	-101.09
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=CC=C1C(=O)[O-]	REAL300000354425	1	31	-2.0	-101.99	296.79	6.18	-95.81
CC1=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C=CC=C1C(=O)[O-]	REAL300000354426	1	31	-2.0	-101.92	301.35	6.28	-95.64
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=CC=C1C(=O)[O-]	REAL300000354427	0	33	-2.0	-97.09	308.28	6.33	-90.76
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354428	1	38	-2.0	-113.54	336.36	4.56	-108.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000354429	0	31	-2.0	-107.35	293.86	5.46	-101.89
CC1=C([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)(C)C)C=C2)C=CC=C1C(=O)[O-]	REAL300000354430	1	47	-2.0	-112.16	395.14	6.59	-105.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000354431	0	40	-2.0	-107.43	344.78	7.63	-99.80
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354432	0	35	-2.0	-107.99	325.02	5.97	-102.02
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354433	1	34	-2.0	-104.37	316.82	7.04	-97.33
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C=CC=C1C(=O)[O-]	REAL300000354434	0	33	-2.0	-110.69	317.86	7.58	-103.11
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CC=C1C(=O)[O-]	REAL300000354435	0	33	-3.0	-173.00	313.98	6.28	-166.72
CC1=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300000354436	0	28	-2.0	-99.91	302.88	5.81	-94.10
CC1=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C=CC=C1C(=O)[O-]	REAL300000354438	1	36	-2.0	-104.30	318.09	6.92	-97.38
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=CC=C1C(=O)[O-]	REAL300000354439	0	31	-2.0	-107.33	291.94	5.79	-101.54
CC1=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=CC=C1C(=O)[O-]	REAL300000354440	0	40	-2.0	-98.95	351.05	7.77	-91.18
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=CC=C1C(=O)[O-]	REAL300000354440	1	39	-3.0	-162.69	352.10	7.81	-154.88
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354441	1	41	-2.0	-113.19	356.67	5.37	-107.82
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=CC=C1C(=O)[O-]	REAL300000354442	1	35	-2.0	-105.34	319.58	2.56	-102.78
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354444	1	35	-2.0	-106.13	320.25	6.68	-99.45
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=CC=C1C(=O)[O-]	REAL300000354445	1	36	-2.0	-106.29	325.85	4.19	-102.10
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=CC=C1C(=O)[O-]	REAL300000354446	1	39	-2.0	-107.20	343.65	4.92	-102.28
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1OCC	REAL300000354447	1	45	-2.0	-108.08	386.26	6.79	-101.29
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC=C1C(=O)[O-]	REAL300000354449	0	30	-3.0	-170.08	301.71	5.23	-164.85
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=CC=C1C(=O)[O-]	REAL300000354450	1	34	-2.0	-105.09	315.56	3.24	-101.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1C	REAL300000354452	0	37	-2.0	-105.78	327.65	7.11	-98.67
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354453	0	37	-2.0	-106.69	317.67	4.73	-101.96
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354454	1	39	-2.0	-114.38	360.43	1.90	-112.48
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000354455	1	39	-2.0	-104.00	341.47	7.65	-96.35
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=C2CC1C	REAL300000354456	1	45	-2.0	-107.92	378.47	7.29	-100.63
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354457	1	37	-2.0	-103.41	334.83	6.32	-97.09
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354458	1	38	-2.0	-107.61	336.49	3.94	-103.67
CC1=C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C=CC=C1C(=O)[O-]	REAL300000354459	1	36	-2.0	-107.19	334.26	0.62	-106.57
CC1=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300000354460	1	35	-2.0	-105.65	339.12	5.86	-99.79
CC1=C([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)C=CC=C1C(=O)[O-]	REAL300000354461	1	42	-2.0	-114.79	357.12	6.77	-108.02
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)=CC=C21	REAL300000354462	1	45	-2.0	-120.59	376.79	7.34	-113.25
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354463	0	40	-2.0	-118.71	352.16	7.34	-111.37
CC1=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C=CC=C1C(=O)[O-]	REAL300000354464	1	35	-2.0	-107.50	314.56	2.44	-105.06
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)=CC=C21	REAL300000354465	1	42	-2.0	-117.69	363.09	6.79	-110.90
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=CC=C1C(=O)[O-]	REAL300000354467	1	37	-2.0	-112.18	329.77	8.02	-104.16
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=CS1	REAL300000354468	0	34	-2.0	-117.40	319.64	5.97	-111.43
CC1=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=CC=C1C(=O)[O-]	REAL300000354471	0	38	-2.0	-101.04	338.54	6.47	-94.57
CC1=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C=CC=C1C(=O)[O-]	REAL300000354473	1	42	-2.0	-110.92	368.06	9.86	-101.06
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=CC=C1C(=O)[O-]	REAL300000354476	0	31	-2.0	-112.65	285.56	5.72	-106.93
CC1=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)C=CC=C1C(=O)[O-]	REAL300000354478	0	36	-2.0	-105.15	335.16	4.66	-100.49
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=CC=C1C(=O)[O-]	REAL300000354479	1	36	-2.0	-104.22	322.44	6.17	-98.05
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354480	0	37	-2.0	-122.84	337.96	4.23	-118.61
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)=C2N=C1	REAL300000354481	0	39	-2.0	-123.98	341.40	6.93	-117.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(Cl)=C1	REAL300000354483	0	34	-2.0	-109.09	314.58	6.89	-102.20
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000354484	0	35	-2.0	-110.65	324.82	5.93	-104.72
CC1=C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C=CC=C1C(=O)[O-]	REAL300000354486	1	36	-2.0	-113.75	338.06	0.68	-113.07
CC1=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)C=CC=C1C(=O)[O-]	REAL300000354487	1	39	-2.0	-106.57	346.68	6.17	-100.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C([N+](=O)[O-])=C1	REAL300000354488	0	37	-2.0	-115.62	330.56	6.37	-109.25
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)C=CC=C1C(=O)[O-]	REAL300000354489	1	37	-2.0	-105.59	340.39	2.73	-102.86
CC1=C([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)C=CC=C1C(=O)[O-]	REAL300000354490	1	38	-2.0	-103.76	349.69	5.00	-98.76
CC1=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)C=CC=C1C(=O)[O-]	REAL300000354492	1	37	-2.0	-106.35	337.94	5.70	-100.65
CC1=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000354493	1	35	-2.0	-103.96	329.82	5.52	-98.44
CC1=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C=CC=C1C(=O)[O-]	REAL300000354494	1	37	-2.0	-113.33	340.76	3.18	-110.15
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354496	1	39	-2.0	-106.76	356.69	1.83	-104.93
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=CC=C1C(=O)[O-]	REAL300000354497	1	41	-2.0	-111.19	347.37	9.43	-101.76
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354498	0	31	-2.0	-101.66	299.57	6.29	-95.37
CC1=C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C=CC=C1C(=O)[O-]	REAL300000354499	0	43	-2.0	-116.15	369.75	5.07	-111.08
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(F)=C1	REAL300000354500	0	38	-2.0	-119.80	341.72	4.62	-115.18
CC1=C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C=CC=C1C(=O)[O-]	REAL300000354501	1	37	-2.0	-117.78	344.52	3.25	-114.53
CC1=C([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)C=CC=C1C(=O)[O-]	REAL300000354502	1	40	-2.0	-110.27	358.03	8.44	-101.83
CC1=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)N(C)C)=C2)C=CC=C1C(=O)[O-]	REAL300000354503	1	42	-2.0	-113.89	378.56	3.77	-110.12
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1OC	REAL300000354505	0	39	-2.0	-108.68	344.27	4.93	-103.75
CC1=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354507	0	35	-2.0	-106.19	315.39	5.58	-100.61
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354507	1	34	-3.0	-175.78	318.93	5.65	-170.13
CC1=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C=CC=C1C(=O)[O-]	REAL300000354508	0	31	-2.0	-115.84	301.57	5.32	-110.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(Br)=C1	REAL300000354509	1	34	-2.0	-108.36	317.94	7.02	-101.34
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C=CC=C1C(=O)[O-]	REAL300000354510	0	36	-2.0	-107.51	326.11	1.87	-105.64
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1C	REAL300000354511	0	38	-2.0	-108.48	335.80	5.13	-103.35
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354512	0	37	-2.0	-110.12	347.89	6.88	-103.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000354515	1	35	-2.0	-105.84	319.53	5.11	-100.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C(N)=O	REAL300000354518	1	38	-2.0	-104.51	334.84	3.23	-101.28
CC1=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)C3=CC=CC=C32)C=CC=C1C(=O)[O-]	REAL300000354520	1	47	-2.0	-113.23	389.31	8.88	-104.35
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354521	1	36	-2.0	-96.72	323.75	7.09	-89.63
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CN1C	REAL300000354523	0	39	-2.0	-108.25	348.21	3.38	-104.87
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354524	1	34	-2.0	-104.44	312.26	6.94	-97.50
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=N2)C=C1	REAL300000354526	0	41	-2.0	-107.52	365.81	7.53	-99.99
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C=CC=C1C(=O)[O-]	REAL300000354528	1	42	-2.0	-108.25	359.29	5.87	-102.38
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)C=CC=C1C(=O)[O-]	REAL300000354530	1	39	-2.0	-107.37	343.60	5.51	-101.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354531	0	33	-3.0	-165.72	317.63	5.90	-159.82
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300000354532	1	32	-2.0	-99.52	320.03	6.54	-92.98
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C=CC=C1C(=O)[O-]	REAL300000354533	1	32	-2.0	-100.10	320.04	6.55	-93.55
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000354534	0	40	-2.0	-105.65	343.36	7.64	-98.01
CC1=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=CC=C1C(=O)[O-]	REAL300000354535	1	35	-2.0	-114.13	322.18	6.11	-108.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C2=CC=CN=C12	REAL300000354536	1	40	-2.0	-110.31	345.36	5.45	-104.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000354537	1	34	-2.0	-106.72	319.28	6.83	-99.89
CC1=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=CC=C1C(=O)[O-]	REAL300000354538	0	31	-2.0	-109.64	301.70	6.22	-103.42
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Br)C=CC=C1C(=O)[O-]	REAL300000354539	1	31	-2.0	-101.00	302.92	6.42	-94.58
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354541	0	37	-2.0	-102.51	336.51	6.12	-96.39
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C2=CC=CC=C12	REAL300000354542	1	41	-2.0	-113.62	349.42	7.32	-106.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000354543	1	34	-2.0	-106.53	310.54	6.44	-100.09
CC1=C([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354545	0	31	-2.0	-101.40	320.40	7.47	-93.93
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354546	0	34	-2.0	-112.78	306.95	6.39	-106.39
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354547	1	34	-2.0	-104.58	301.93	6.49	-98.09
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354549	0	36	-2.0	-119.45	318.37	8.00	-111.45
CC1=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C=CC=C1C(=O)[O-]	REAL300000354550	0	39	-2.0	-109.39	345.35	4.91	-104.48
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000354551	0	35	-2.0	-103.34	326.66	7.44	-95.90
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C=CC=C1C(=O)[O-]	REAL300000354552	1	41	-2.0	-120.51	355.60	5.57	-114.94
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354554	0	39	-2.0	-124.11	341.34	6.94	-117.17
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354557	0	30	-3.0	-173.01	303.96	5.33	-167.68
CC1=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354557	1	31	-2.0	-104.44	300.07	5.24	-99.20
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1Cl	REAL300000354558	0	34	-2.0	-109.88	322.41	7.55	-102.33
COC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)=CC(C(=O)[O-])=C1OC	REAL300000354559	0	42	-2.0	-107.75	365.21	5.98	-101.77
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC(C(=O)[O-])=C1OC	REAL300000354559	1	41	-3.0	-178.41	370.61	6.11	-172.30
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354560	1	40	-2.0	-116.06	356.23	3.94	-112.12
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354561	0	33	-2.0	-97.24	321.40	6.89	-90.35
COC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000354562	0	38	-2.0	-111.92	334.26	6.23	-105.69
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C2=CC=CN=C2C=C1	REAL300000354563	1	39	-2.0	-109.45	330.34	7.05	-102.40
CC1=C([N-]S(=O)(=O)C2=C(Br)C=CS2)C=CC=C1C(=O)[O-]	REAL300000354565	0	28	-2.0	-105.31	292.34	5.21	-100.10
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354567	1	44	-2.0	-117.93	383.77	5.45	-112.48
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=CC=C1C(=O)[O-]	REAL300000354568	0	33	-2.0	-112.99	307.50	7.15	-105.84
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354569	0	45	-2.0	-117.73	390.21	4.46	-113.27
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=CC=C1C(=O)[O-]	REAL300000354570	0	44	-2.0	-103.76	359.81	8.44	-95.32
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=CC=C1C(=O)[O-]	REAL300000354570	1	43	-3.0	-181.29	367.51	8.93	-172.36
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=CC=C1C(=O)[O-]	REAL300000354571	0	43	-2.0	-104.87	363.73	7.89	-96.98
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=CC=C1C(=O)[O-]	REAL300000354571	1	42	-3.0	-178.87	362.40	8.22	-170.65
CC1=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=CC=C1C(=O)[O-]	REAL300000354572	1	41	-2.0	-108.69	354.25	9.07	-99.62
CC1=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=CC=C1C(=O)[O-]	REAL300000354573	0	33	-2.0	-116.33	313.43	7.03	-109.30
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354574	0	40	-2.0	-119.05	364.74	4.20	-114.85
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354575	1	42	-2.0	-118.59	374.58	5.41	-113.18
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)C=CC=C1C(=O)[O-]	REAL300000354578	1	42	-2.0	-119.26	371.88	5.72	-113.54
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354579	0	35	-2.0	-111.50	311.16	4.02	-107.48
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354579	1	35	-2.0	-106.56	308.35	4.93	-101.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1C	REAL300000354580	0	40	-2.0	-104.61	339.70	7.40	-97.21
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354580	1	39	-3.0	-173.95	337.44	7.89	-166.06
CC1=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=CC=C1C(=O)[O-]	REAL300000354581	0	34	-2.0	-111.70	319.58	6.56	-105.14
CC1=C([N-]S(=O)(=O)C2=CC3=C(C=C2)N(C)C2=C3C=CC=C2)C=CC=C1C(=O)[O-]	REAL300000354582	1	44	-2.0	-115.65	383.66	9.58	-106.07
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354583	0	40	-3.0	-185.18	358.94	6.79	-178.39
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1C	REAL300000354583	1	41	-2.0	-108.72	360.02	6.81	-101.91
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354584	0	36	-3.0	-175.49	336.01	6.70	-168.79
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354584	1	35	-4.0	-261.73	340.71	6.86	-254.87
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000354585	0	34	-2.0	-101.48	327.92	5.42	-96.06
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=CC=C1C(=O)[O-]	REAL300000354586	0	41	-2.0	-105.05	350.66	8.09	-96.96
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=CC=C1C(=O)[O-]	REAL300000354586	1	40	-3.0	-181.39	356.53	8.19	-173.20
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(S(C)(=O)=O)=C2)C=CC=C1C(=O)[O-]	REAL300000354587	1	37	-2.0	-113.28	348.90	3.27	-110.01
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C	REAL300000354588	0	39	-2.0	-119.43	339.52	8.27	-111.16
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=CC=C1C(=O)[O-]	REAL300000354589	1	35	-2.0	-102.22	321.90	6.13	-96.09
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=CC=C1C(=O)[O-]	REAL300000354590	0	31	-2.0	-105.47	294.98	6.00	-99.47
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000354591	0	41	-2.0	-114.65	376.16	4.58	-110.07
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000354592	0	41	-2.0	-105.99	373.25	4.63	-101.36
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C(C(=O)[O-])O1	REAL300000354593	0	33	-3.0	-167.55	311.53	5.36	-162.19
CC1=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C=C(C(=O)[O-])O1	REAL300000354593	1	34	-2.0	-101.11	313.35	5.00	-96.11
CC1=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=CC=C1C(=O)[O-]	REAL300000354594	0	34	-2.0	-127.77	308.23	4.86	-122.91
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354595	0	37	-2.0	-112.70	340.30	6.37	-106.33
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354596	0	41	-2.0	-116.54	351.58	7.04	-109.50
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000354597	1	34	-2.0	-99.69	328.14	6.80	-92.89
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354598	1	47	-2.0	-107.63	391.04	7.39	-100.24
CC1=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=CC=C1C(=O)[O-]	REAL300000354600	0	33	-2.0	-119.36	313.79	7.82	-111.54
CC1=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=CC=C1C(=O)[O-]	REAL300000354601	1	36	-2.0	-119.51	332.15	5.90	-113.61
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C2=CC=CC=C12	REAL300000354602	1	44	-2.0	-113.10	371.28	8.26	-104.84
CC1=C(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354603	0	40	-2.0	-111.89	349.14	5.93	-105.96
CC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354603	1	39	-3.0	-183.35	354.45	6.07	-177.28
CC1=C([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C=CC=C1C(=O)[O-]	REAL300000354604	1	35	-2.0	-101.98	336.43	7.12	-94.86
CC1=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C=CC=C1C(=O)[O-]	REAL300000354605	0	30	-2.0	-100.64	300.16	4.54	-96.10
CC1=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2F)C=CC=C1C(=O)[O-]	REAL300000354608	0	37	-2.0	-115.98	346.24	3.24	-112.74
CC1=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=CC=C1C(=O)[O-]	REAL300000354609	0	33	-2.0	-123.14	305.88	7.28	-115.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354610	0	37	-3.0	-181.54	337.45	5.31	-176.23
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354610	1	38	-2.0	-103.57	339.41	4.90	-98.67
CC1=C(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=CC=C1C(=O)[O-]	REAL300000354611	0	42	-2.0	-98.29	359.79	6.75	-91.54
CC1=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=CC=C1C(=O)[O-]	REAL300000354612	0	38	-2.0	-107.94	344.39	6.85	-101.09
CC1=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C=CC=C1C(=O)[O-]	REAL300000354613	0	41	-2.0	-107.40	369.80	7.29	-100.11
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354615	0	33	-3.0	-167.35	326.10	6.81	-160.54
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354615	1	34	-2.0	-98.14	327.62	6.47	-91.67
CC1=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=CC=C1C(=O)[O-]	REAL300000354616	0	30	-2.0	-100.53	285.25	4.01	-96.52
CC1=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300000354617	0	38	-2.0	-101.20	354.14	6.98	-94.22
CC1=C([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)C=CC=C1C(=O)[O-]	REAL300000354618	0	31	-2.0	-107.13	306.83	6.35	-100.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C(F)(F)F	REAL300000354619	1	37	-2.0	-106.19	338.24	7.25	-98.94
CC1=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)C=CC=C1C(=O)[O-]	REAL300000354620	1	41	-2.0	-106.85	364.07	6.65	-100.20
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354621	0	34	-2.0	-106.84	328.08	5.31	-101.53
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354622	1	39	-2.0	-102.90	337.34	8.00	-94.90
CC1=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=CC=C1C(=O)[O-]	REAL300000354623	1	36	-2.0	-109.45	316.22	6.09	-103.36
CC1=C([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C=CC=C1C(=O)[O-]	REAL300000354624	0	37	-2.0	-111.70	357.06	6.45	-105.25
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354625	0	30	-2.0	-100.84	305.20	4.79	-96.05
CC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)=CC=C1OCC(=O)[O-]	REAL300000354626	0	41	-2.0	-101.22	358.18	7.15	-94.07
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=C(C)C(C(=O)[O-])=CC=C3)C=C12	REAL300000354628	1	39	-2.0	-104.27	350.14	5.46	-98.81
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C)C(C(=O)[O-])=CC=C3)C=C12	REAL300000354629	0	35	-2.0	-100.41	323.57	2.72	-97.69
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=CC=C1C(=O)[O-]	REAL300000354630	0	31	-2.0	-99.12	299.78	4.26	-94.86
CC1=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=CC=C1C(=O)[O-]	REAL300000354632	0	31	-2.0	-110.73	291.81	5.78	-104.95
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(F)=C1	REAL300000354633	0	35	-2.0	-110.73	318.04	5.24	-105.49
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354634	0	37	-2.0	-115.27	341.97	7.56	-107.71
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=CC=C1C(=O)[O-]	REAL300000354635	0	33	-2.0	-113.00	317.83	7.60	-105.40
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C(C(=O)[O-])=CC=C1	REAL300000354636	0	37	-2.0	-100.81	332.97	7.14	-93.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C(C(=O)[O-])=CC=C1	REAL300000354636	1	36	-3.0	-166.23	329.23	7.03	-159.20
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=CC=C1C(=O)[O-]	REAL300000354637	0	37	-2.0	-113.70	323.20	5.30	-108.40
CC1=NC(S(=O)(=O)[N-]C2=C(C)C(C(=O)[O-])=CC=C2)=CN1C	REAL300000354638	0	34	-2.0	-119.69	308.37	4.66	-115.03
CC1=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000354639	0	38	-2.0	-103.22	344.33	6.51	-96.71
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000354639	1	37	-3.0	-161.38	349.57	6.64	-154.74
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=CC=C1C(=O)[O-]	REAL300000354640	0	35	-2.0	-110.31	318.08	5.71	-104.60
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354641	1	40	-2.0	-112.25	360.48	7.32	-104.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000354642	0	34	-2.0	-106.65	309.91	4.30	-102.35
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354643	1	43	-2.0	-102.73	378.19	8.04	-94.69
CC1=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C(=O)NC(=O)N3C)C=CC=C1C(=O)[O-]	REAL300000354644	0	39	-2.0	-101.28	353.50	3.14	-98.14
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354645	1	38	-2.0	-111.94	338.90	5.45	-106.49
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354646	0	37	-2.0	-115.22	331.65	7.12	-108.10
CC1=C([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C=CC=C1C(=O)[O-]	REAL300000354647	0	39	-2.0	-115.47	345.32	6.22	-109.25
CC1=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C=CC=C1C(=O)[O-]	REAL300000354648	0	34	-2.0	-106.36	324.60	6.73	-99.63
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000354649	0	34	-2.0	-103.35	311.95	7.09	-96.26
CC1=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C=CC=C1C(=O)[O-]	REAL300000354650	0	31	-2.0	-107.40	312.15	5.76	-101.64
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000354651	0	41	-2.0	-114.03	356.06	7.13	-106.90
CC1=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=CC=C1C(=O)[O-]	REAL300000354652	1	36	-2.0	-107.49	319.81	5.03	-102.46
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000354653	1	40	-2.0	-102.47	365.01	7.34	-95.13
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354654	0	31	-2.0	-104.51	299.57	6.29	-98.22
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=C2)=CO1	REAL300000354655	1	40	-2.0	-110.93	356.46	4.72	-106.21
CC1=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=CC=C1C(=O)[O-]	REAL300000354658	1	35	-2.0	-103.22	328.13	2.59	-100.63
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354659	1	35	-2.0	-111.30	313.32	5.03	-106.27
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000354661	0	37	-2.0	-111.62	341.67	3.88	-107.74
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000354661	1	36	-3.0	-170.49	338.35	2.76	-167.73
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C(F)C=C1F	REAL300000354666	0	37	-2.0	-101.64	344.85	6.40	-95.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(F)=C1	REAL300000354667	0	34	-2.0	-112.22	306.95	6.40	-105.82
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000354668	0	35	-2.0	-103.51	338.67	6.08	-97.43
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)O1	REAL300000354670	0	34	-2.0	-103.39	323.36	4.53	-98.86
CC1=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=CC=C1C(=O)[O-]	REAL300000354671	0	36	-2.0	-123.89	319.97	6.29	-117.60
CC1=C([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C=CC=C1C(=O)[O-]	REAL300000354672	0	37	-2.0	-115.20	350.66	6.38	-108.82
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=CC=C1C(=O)[O-]	REAL300000354673	0	31	-2.0	-99.53	298.21	5.84	-93.69
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354674	1	43	-2.0	-113.86	371.16	4.66	-109.20
CC1=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C=C(C(=O)[O-])S1	REAL300000354675	0	34	-2.0	-105.75	321.22	6.19	-99.56
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C(C(=O)[O-])S1	REAL300000354675	1	33	-3.0	-171.53	318.21	6.10	-165.43
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000354676	1	40	-2.0	-110.63	344.46	6.97	-103.66
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354677	0	35	-2.0	-109.85	322.64	5.52	-104.33
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CN=C1Cl	REAL300000354678	0	33	-2.0	-101.01	314.49	4.96	-96.05
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354679	0	37	-2.0	-117.06	342.88	3.27	-113.79
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354681	1	40	-2.0	-114.92	357.02	7.11	-107.81
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=C21	REAL300000354684	1	42	-2.0	-130.50	363.00	6.79	-123.71
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354685	0	43	-2.0	-107.15	358.17	6.30	-100.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)SC=C1	REAL300000354686	0	31	-2.0	-107.55	288.26	5.48	-102.07
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354687	1	37	-2.0	-106.36	355.35	6.90	-99.46
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000354688	0	40	-2.0	-106.86	339.50	5.60	-101.26
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C	REAL300000354689	1	40	-2.0	-104.91	354.92	6.95	-97.96
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1[N+](=O)[O-]	REAL300000354690	0	36	-2.0	-98.95	328.46	6.93	-92.02
CC1=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=CC=C1C(=O)[O-]	REAL300000354692	1	39	-2.0	-120.72	343.40	4.19	-116.53
CC1=C([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C=CC=C1C(=O)[O-]	REAL300000354693	1	40	-2.0	-123.66	365.10	3.87	-119.79
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354694	1	35	-2.0	-104.34	316.30	6.82	-97.52
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000354695	1	38	-2.0	-117.34	346.01	4.74	-112.60
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000354696	0	36	-2.0	-106.37	329.51	6.91	-99.46
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C=CC=C1C(=O)[O-]	REAL300000354697	1	43	-2.0	-106.50	332.05	8.30	-98.20
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C	REAL300000354699	1	41	-2.0	-127.39	357.92	5.46	-121.93
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=C21	REAL300000354700	1	45	-2.0	-130.33	377.10	7.38	-122.95
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354701	0	35	-2.0	-109.66	317.70	6.13	-103.53
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354702	1	35	-2.0	-100.70	316.30	6.81	-93.89
CC1=C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C=CC=C1C(=O)[O-]	REAL300000354704	1	40	-2.0	-114.74	348.73	5.73	-109.01
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1OC	REAL300000354705	1	41	-2.0	-107.90	365.90	6.44	-101.46
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C=CC=C1C(=O)[O-]	REAL300000354706	0	32	-2.0	-104.08	306.34	6.11	-97.97
CC1=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000354707	0	34	-2.0	-111.53	320.03	7.66	-103.87
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=C2O1	REAL300000354708	1	36	-2.0	-107.36	327.47	3.40	-103.96
CC1=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C=CC=C1C(=O)[O-]	REAL300000354709	0	37	-2.0	-106.68	328.58	4.82	-101.86
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)C=CC=C1C(=O)[O-]	REAL300000354710	0	36	-2.0	-112.41	317.03	2.16	-110.25
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=CC=C1C(=O)[O-]	REAL300000354711	1	36	-2.0	-109.99	324.80	6.13	-103.86
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000354712	0	37	-2.0	-111.80	343.21	4.50	-107.30
CC1=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C=CC=C1C(=O)[O-]	REAL300000354713	0	37	-2.0	-117.01	327.79	4.17	-112.84
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C=CC=C1C(=O)[O-]	REAL300000354714	0	34	-2.0	-110.16	321.86	7.46	-102.70
CC1=C(S(=O)(=O)[N-]C2=C(C)C(C(=O)[O-])=CC=C2)C=NN1C1=CC=CC=N1	REAL300000354715	0	40	-2.0	-110.31	352.23	7.03	-103.28
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)C=CC=C1C(=O)[O-]	REAL300000354717	0	35	-2.0	-106.26	336.87	6.94	-99.32
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000354718	1	31	-2.0	-95.05	302.84	5.92	-89.13
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C=CC=C1C(=O)[O-]	REAL300000354719	1	42	-2.0	-105.68	362.68	7.50	-98.18
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CN1C	REAL300000354721	0	38	-2.0	-112.07	344.99	5.85	-106.22
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354723	0	33	-3.0	-160.86	321.56	6.78	-154.08
CC1=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354723	1	34	-2.0	-93.48	323.10	6.42	-87.06
CC1=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000354724	0	34	-2.0	-104.27	311.42	6.20	-98.07
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000354724	1	33	-3.0	-162.95	316.80	6.34	-156.61
CC1=C([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)C=CC=C1C(=O)[O-]	REAL300000354725	1	39	-2.0	-118.27	350.28	5.16	-113.11
CC1=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C=CC=C1C(=O)[O-]	REAL300000354726	0	38	-2.0	-111.05	348.78	7.01	-104.04
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000354727	0	31	-2.0	-106.36	314.25	6.02	-100.34
CC1=C([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000354728	1	31	-2.0	-100.47	310.82	6.40	-94.07
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354729	1	41	-2.0	-116.16	347.42	5.87	-110.29
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2)C=CC=C1C(=O)[O-]	REAL300000354731	1	31	-2.0	-100.31	310.82	6.40	-93.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(Cl)=C1Cl	REAL300000354732	0	35	-2.0	-106.24	337.12	6.03	-100.21
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000354733	0	42	-2.0	-112.58	371.56	6.49	-106.09
CC1=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C=CC=C1C(=O)[O-]	REAL300000354734	0	34	-2.0	-101.73	324.88	3.73	-98.00
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC=C1C(=O)[O-]	REAL300000354735	0	30	-3.0	-164.36	300.79	5.35	-159.01
CC1=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C=CC=C1C(=O)[O-]	REAL300000354736	0	40	-2.0	-117.96	348.54	6.70	-111.26
CC1=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354737	0	34	-2.0	-101.00	313.48	6.23	-94.77
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354737	1	33	-3.0	-168.56	318.70	6.36	-162.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1F	REAL300000354738	0	36	-3.0	-174.49	334.25	6.91	-167.58
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)C=CC=C1C(=O)[O-]	REAL300000354739	1	45	-2.0	-105.23	372.86	7.72	-97.51
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000354740	0	37	-3.0	-165.37	348.81	6.83	-158.54
COC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000354740	1	38	-2.0	-97.76	350.35	6.48	-91.28
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CN1	REAL300000354741	0	35	-2.0	-109.60	327.23	4.09	-105.51
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC=C1C(=O)[O-]	REAL300000354742	0	33	-3.0	-162.68	313.97	6.29	-156.39
CC1=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC=C1C(=O)[O-]	REAL300000354742	1	34	-2.0	-108.66	315.96	5.91	-102.75
CC1=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300000354743	0	34	-2.0	-100.88	319.41	6.56	-94.32
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300000354743	1	33	-3.0	-161.34	324.77	6.70	-154.64
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=C(C)C(C(=O)[O-])=CC=C1	REAL300000354744	1	34	-2.0	-104.53	300.83	6.46	-98.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1Br	REAL300000354745	1	34	-2.0	-106.82	323.31	6.92	-99.90
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C	REAL300000354746	1	40	-2.0	-106.84	355.03	6.94	-99.90
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CS1	REAL300000354747	0	34	-2.0	-108.44	331.10	5.41	-103.03
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000354748	1	37	-2.0	-102.31	343.15	6.41	-95.90
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000354749	0	33	-2.0	-104.90	305.27	4.23	-100.67
CC1=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C=CC=C1C(=O)[O-]	REAL300000354750	1	35	-2.0	-114.93	322.32	6.84	-108.09
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354751	1	39	-2.0	-97.04	338.64	8.02	-89.02
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)=CC=C1[O-]	REAL300000354752	1	39	-2.0	-99.29	340.51	2.55	-96.74
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C(C(=O)[O-])=CC=C1	REAL300000354755	0	37	-2.0	-101.42	341.76	7.55	-93.87
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C(C(=O)[O-])=CC=C1	REAL300000354755	1	36	-3.0	-168.06	337.96	7.43	-160.63
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354756	1	37	-2.0	-103.90	334.26	7.42	-96.48
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354757	0	31	-2.0	-101.83	313.25	5.98	-95.85
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354758	1	37	-2.0	-110.42	326.73	7.17	-103.25
CC1=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C=CC=C1C(=O)[O-]	REAL300000354759	0	34	-2.0	-105.03	335.69	7.59	-97.44
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354760	1	34	-2.0	-106.19	311.65	6.46	-99.73
CC1=C(NS(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=CC=C1C(=O)[O-]	REAL300000354761	0	42	-2.0	-99.88	371.17	7.59	-92.29
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=CC=C1C(=O)[O-]	REAL300000354761	1	41	-3.0	-159.18	372.25	7.63	-151.55
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354762	0	37	-2.0	-104.54	341.99	5.21	-99.33
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=CC=C1C(=O)[O-]	REAL300000354763	1	37	-2.0	-105.77	335.21	4.79	-100.98
CC1=C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354764	0	34	-2.0	-102.01	317.82	6.25	-95.76
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354764	1	33	-3.0	-165.93	323.11	6.39	-159.54
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354765	0	36	-2.0	-97.22	335.25	6.83	-90.39
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354765	1	35	-3.0	-162.53	340.47	6.97	-155.56
CC1=C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C=CC=C1C(=O)[O-]	REAL300000354766	0	34	-2.0	-109.58	333.38	7.53	-102.05
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354767	0	41	-2.0	-116.72	362.98	6.13	-110.59
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354768	1	43	-2.0	-110.92	367.93	7.63	-103.29
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C(F)C=C1F	REAL300000354770	0	34	-2.0	-104.52	312.27	6.42	-98.10
CC1=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C=CC=C1C(=O)[O-]	REAL300000354771	0	37	-2.0	-115.98	331.87	8.73	-107.25
CC1=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=CC=C1C(=O)[O-]	REAL300000354772	1	37	-2.0	-116.32	321.10	7.97	-108.35
CC1=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=CC=C1C(=O)[O-]	REAL300000354773	0	33	-2.0	-106.86	315.83	5.22	-101.64
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000354774	0	36	-2.0	-104.06	337.18	7.40	-96.66
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000354775	1	35	-2.0	-99.18	340.47	6.92	-92.26
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000354776	0	38	-2.0	-108.14	357.89	4.73	-103.41
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=C(C)C(C(=O)[O-])=CC=C1	REAL300000354777	1	34	-2.0	-104.29	313.61	6.95	-97.34
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CC=C1C(=O)[O-]	REAL300000354778	0	34	-3.0	-174.04	318.22	3.93	-170.11
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC=C1C(=O)[O-]	REAL300000354778	1	34	-3.0	-182.20	315.68	4.86	-177.34
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=CC=C1C(=O)[O-]	REAL300000354779	1	41	-2.0	-112.91	339.13	8.37	-104.54
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354780	0	36	-2.0	-109.03	344.16	5.05	-103.98
CC1=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CC=C1C(=O)[O-]	REAL300000354781	0	37	-2.0	-98.40	329.65	6.97	-91.43
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CC=C1C(=O)[O-]	REAL300000354781	1	36	-3.0	-170.42	330.70	7.00	-163.42
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000354782	1	38	-2.0	-109.37	355.09	5.26	-104.11
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)O1	REAL300000354783	0	37	-2.0	-103.57	345.22	5.45	-98.12
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354784	0	33	-2.0	-98.95	318.46	6.47	-92.48
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354785	0	36	-2.0	-117.10	335.87	6.71	-110.39
CC1=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)C=CC=C1C(=O)[O-]	REAL300000354786	1	43	-2.0	-108.48	374.54	7.28	-101.20
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354787	1	36	-2.0	-98.68	336.19	7.47	-91.21
CC1=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C=CC=C1C(=O)[O-]	REAL300000354788	0	34	-2.0	-117.00	322.78	6.35	-110.65
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)SC=C1	REAL300000354789	0	32	-2.0	-115.31	302.20	3.93	-111.38
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354790	1	40	-2.0	-116.95	365.98	4.15	-112.80
CC1=C(S(=O)(=O)[N-]C2=C(C)C(C(=O)[O-])=CC=C2)OC2=CC=C(F)C=C12	REAL300000354791	0	37	-2.0	-109.03	340.57	6.84	-102.19
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=CC=C1C(=O)[O-]	REAL300000354792	0	34	-2.0	-111.25	313.58	6.13	-105.12
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=CC=C2C=C1	REAL300000354793	0	39	-2.0	-125.70	341.55	6.89	-118.81
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C2=CC(Cl)=CC=C2S1	REAL300000354794	0	37	-2.0	-109.05	347.74	8.57	-100.48
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)C=CC=C1C(=O)[O-]	REAL300000354795	1	42	-2.0	-105.18	367.13	5.24	-99.94
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C(Br)S1	REAL300000354796	0	31	-2.0	-100.62	311.24	6.15	-94.47
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C=CC=C1C(=O)[O-]	REAL300000354797	1	37	-2.0	-107.99	335.47	8.39	-99.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC(F)=C1F	REAL300000354798	1	37	-2.0	-97.62	349.43	6.48	-91.14
CC1=C(S(=O)(=O)[N-]C2=C(C)C(C(=O)[O-])=CC=C2)SC2=CC=CC(F)=C12	REAL300000354799	0	37	-2.0	-110.86	337.53	7.86	-103.00
CC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C#N)=C2)C=CC=C1C(=O)[O-]	REAL300000354800	1	32	-2.0	-100.46	325.96	6.74	-93.72
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1F	REAL300000354801	0	36	-2.0	-105.72	334.05	7.03	-98.69
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354802	0	33	-2.0	-112.70	313.28	4.40	-108.30
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=NC2=C1Cl	REAL300000354804	0	36	-2.0	-99.61	344.81	5.69	-93.92
CC1=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C=CC=C1C(=O)[O-]	REAL300000354805	0	31	-2.0	-111.79	299.67	6.60	-105.19
CC1=C([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C=CC=C1C(=O)[O-]	REAL300000354806	1	33	-2.0	-101.88	332.10	5.64	-96.24
CC1=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C=CC=C1C(=O)[O-]	REAL300000354807	0	31	-2.0	-98.33	296.08	4.57	-93.76
CC1=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C=CC=C1C(=O)[O-]	REAL300000354808	0	31	-2.0	-111.79	304.01	4.57	-107.22
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354809	1	39	-2.0	-112.25	342.81	4.35	-107.90
CC1=C(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354810	0	34	-2.0	-101.98	327.71	6.68	-95.30
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354810	1	33	-3.0	-167.69	332.99	6.83	-160.86
CC1=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=CC=C1C(=O)[O-]	REAL300000354811	0	32	-2.0	-113.18	295.90	4.40	-108.78
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000354812	0	39	-2.0	-121.26	330.53	8.50	-112.76
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)S2)=CS1	REAL300000354813	0	37	-2.0	-107.34	359.49	6.21	-101.13
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C=CC=C1C(=O)[O-]	REAL300000354814	0	32	-2.0	-99.07	302.28	3.49	-95.58
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000354815	0	30	-2.0	-104.16	288.56	3.49	-100.67
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000354816	1	37	-2.0	-102.31	351.13	6.78	-95.53
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354817	1	36	-2.0	-97.85	328.25	7.12	-90.73
CC1=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=CC=C1C(=O)[O-]	REAL300000354818	0	37	-2.0	-108.89	320.62	6.92	-101.97
CC1=C([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C=CC=C1C(=O)[O-]	REAL300000354820	1	38	-2.0	-127.26	348.43	3.60	-123.66
CC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)=CC(C(=O)[O-])=C1F	REAL300000354821	0	37	-2.0	-109.33	331.84	6.81	-102.52
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1C	REAL300000354822	0	37	-2.0	-104.91	327.02	7.08	-97.83
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354823	0	37	-2.0	-115.81	339.00	6.77	-109.04
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C=CC=C1C(=O)[O-]	REAL300000354825	0	32	-2.0	-105.06	309.36	6.34	-98.72
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C(C)N1	REAL300000354826	0	44	-2.0	-107.68	376.07	6.34	-101.34
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000354827	0	34	-2.0	-107.21	312.23	6.43	-100.78
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1[N+](=O)[O-]	REAL300000354828	0	37	-2.0	-98.87	339.34	6.48	-92.39
CC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)=CC(C(=O)[O-])=C1C	REAL300000354829	0	40	-2.0	-106.74	339.44	7.20	-99.54
CC1=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C=CC=C1C(=O)[O-]	REAL300000354830	1	37	-2.0	-117.48	337.79	8.48	-109.00
CC1=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000354831	0	37	-2.0	-109.82	348.91	3.27	-106.55
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354832	0	35	-3.0	-175.29	339.04	7.39	-167.90
CC1=C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354832	1	36	-2.0	-115.52	333.38	7.24	-108.28
CC1=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=CC=C1C(=O)[O-]	REAL300000354833	0	34	-2.0	-104.98	325.38	7.14	-97.84
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CC=C1C(=O)[O-]	REAL300000354835	0	33	-3.0	-164.56	320.24	6.34	-158.22
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC([N+](=O)[O-])=C1F	REAL300000354836	1	36	-2.0	-99.91	336.87	7.06	-92.85
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354837	0	37	-2.0	-112.49	342.00	7.56	-104.93
CC1=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354838	0	30	-2.0	-105.44	299.02	5.11	-100.33
CC1=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C=CC=C1C(=O)[O-]	REAL300000354839	0	37	-2.0	-117.47	329.43	6.11	-111.36
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000354840	0	36	-2.0	-101.09	334.57	4.56	-96.53
CC1=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354841	0	30	-2.0	-97.72	305.48	4.83	-92.89
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C(C)=C1C(=O)[O-]	REAL300000354842	0	40	-2.0	-115.12	345.51	7.69	-107.43
CC1=C([N-]S(=O)(=O)C2=CC=C3C4=C(C=CC=C42)C(=O)N3C)C=CC=C1C(=O)[O-]	REAL300000354843	1	42	-2.0	-108.36	365.83	7.58	-100.78
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000354844	0	36	-3.0	-174.23	329.79	6.81	-167.42
CC1=CC(F)=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000354844	1	37	-2.0	-99.88	330.75	6.43	-93.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1Cl	REAL300000354845	0	36	-3.0	-173.23	340.28	7.35	-165.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)=C1Cl	REAL300000354845	1	37	-2.0	-98.51	341.82	6.99	-91.52
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354846	0	36	-3.0	-184.81	333.51	6.91	-177.90
CC1=C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C=CC=C1C(=O)[O-]	REAL300000354847	0	31	-2.0	-97.50	311.09	6.21	-91.29
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354848	1	39	-2.0	-119.05	346.91	7.01	-112.04
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000354849	0	38	-2.0	-104.89	343.58	3.35	-101.54
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C([N+](=O)[O-])=N1	REAL300000354850	0	36	-2.0	-113.74	330.35	6.48	-107.26
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)C=CC=C1C(=O)[O-]	REAL300000354851	0	31	-2.0	-103.75	302.92	6.42	-97.33
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1Br	REAL300000354852	0	34	-2.0	-109.53	314.73	6.93	-102.60
CCC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000354853	0	40	-2.0	-106.46	340.36	7.33	-99.13
CC1=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=CC=C1C(=O)[O-]	REAL300000354854	0	42	-2.0	-106.64	360.98	4.27	-102.37
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1C#N	REAL300000354857	0	35	-2.0	-116.91	317.30	6.44	-110.47
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354858	0	34	-2.0	-100.76	331.94	7.22	-93.54
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1C	REAL300000354859	0	37	-2.0	-93.47	329.33	5.80	-87.67
CC1=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C=CC=C1C(=O)[O-]	REAL300000354860	0	40	-2.0	-107.82	353.06	7.31	-100.51
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354861	0	37	-2.0	-117.41	331.31	6.48	-110.93
CC1=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=CC=C1C(=O)[O-]	REAL300000354862	0	39	-2.0	-105.05	341.89	3.48	-101.57
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354864	0	39	-2.0	-106.60	353.47	7.72	-98.88
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1F	REAL300000354865	0	34	-2.0	-113.56	305.85	6.37	-107.19
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000354866	1	37	-2.0	-102.84	332.86	3.35	-99.49
CC1=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=CC=C1C(=O)[O-]	REAL300000354867	0	38	-2.0	-120.42	329.77	5.76	-114.66
COC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C=C1CC(=O)[O-]	REAL300000354868	0	41	-2.0	-105.49	357.44	6.29	-99.20
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354869	1	38	-2.0	-108.65	335.13	5.39	-103.26
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354870	0	36	-2.0	-110.46	319.31	2.64	-107.82
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1Cl	REAL300000354871	0	34	-2.0	-110.19	311.90	6.80	-103.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C(C)O1	REAL300000354872	0	34	-2.0	-105.67	303.01	5.24	-100.43
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C=CC=C1C(=O)[O-]	REAL300000354873	0	37	-2.0	-113.60	326.30	3.32	-110.28
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=C2)CC1	REAL300000354875	1	44	-2.0	-108.83	378.41	8.29	-100.54
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354876	1	40	-2.0	-105.56	366.88	7.39	-98.17
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354877	1	38	-2.0	-106.99	326.65	5.69	-101.30
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C(C(=O)OC)O1	REAL300000354878	0	40	-2.0	-101.71	357.04	6.07	-95.64
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354880	0	34	-2.0	-108.28	312.28	6.02	-102.26
CC1=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=CC=C1C(=O)[O-]	REAL300000354881	1	34	-2.0	-106.23	309.88	4.40	-101.83
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C2=NC=CC=C2C=C1	REAL300000354882	0	39	-2.0	-123.03	333.95	7.46	-115.57
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=CC=C1C(=O)[O-]	REAL300000354883	0	37	-2.0	-115.94	329.33	7.66	-108.28
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C2=CC=CC=C12	REAL300000354884	1	44	-2.0	-122.33	372.98	6.99	-115.34
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C=CC=C1C(=O)[O-]	REAL300000354885	1	37	-2.0	-100.59	352.43	3.82	-96.77
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354886	0	37	-2.0	-111.76	331.67	7.12	-104.64
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000354887	0	33	-2.0	-96.75	316.55	6.42	-90.33
CC1=C(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=CC=C1C(=O)[O-]	REAL300000354888	0	37	-2.0	-94.78	335.22	7.04	-87.74
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=CC=C1C(=O)[O-]	REAL300000354888	1	36	-3.0	-167.99	334.86	7.39	-160.60
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300000354889	1	31	-2.0	-100.74	306.97	6.32	-94.42
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C(C)O1	REAL300000354890	0	37	-2.0	-101.95	337.89	5.22	-96.73
CC1=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300000354891	0	30	-2.0	-100.72	295.59	4.43	-96.29
CC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000354892	0	37	-2.0	-106.03	338.23	7.12	-98.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000354892	1	36	-3.0	-175.84	343.51	7.26	-168.58
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)N=C1C	REAL300000354893	0	37	-2.0	-119.60	329.56	5.52	-114.08
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354894	0	34	-2.0	-108.82	317.94	7.02	-101.80
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354895	0	34	-2.0	-109.59	314.58	6.89	-102.70
CCN1C=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000354896	0	38	-2.0	-108.37	336.77	6.43	-101.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000354896	1	37	-3.0	-177.46	340.24	6.50	-170.96
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354897	0	34	-2.0	-107.63	323.98	4.50	-103.13
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354898	0	43	-2.0	-107.89	359.54	6.21	-101.68
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CN1C	REAL300000354899	0	41	-2.0	-111.85	366.85	6.76	-105.09
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354900	1	39	-2.0	-103.54	339.80	7.60	-95.94
CC1=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354901	0	31	-2.0	-112.38	296.09	6.45	-105.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(Cl)=N1	REAL300000354902	0	33	-2.0	-107.43	309.95	4.97	-102.46
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354903	0	36	-2.0	-106.61	329.08	5.85	-100.76
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C=CC=C1C(=O)[O-]	REAL300000354904	0	38	-2.0	-108.48	345.11	6.85	-101.63
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000354905	1	35	-2.0	-105.75	339.02	7.21	-98.54
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000354906	0	33	-2.0	-103.80	310.05	4.24	-99.56
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=C12	REAL300000354907	0	38	-2.0	-99.62	345.06	3.44	-96.18
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000354908	0	33	-2.0	-102.59	318.16	5.99	-96.60
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CN=C1Cl	REAL300000354910	0	34	-2.0	-99.26	324.69	3.69	-95.57
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)=CC=C21	REAL300000354911	1	40	-2.0	-106.33	359.74	6.70	-99.63
CC1=C([N-]S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C=CC=C1C(=O)[O-]	REAL300000354912	1	43	-2.0	-108.00	368.21	7.18	-100.82
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=CC=C1C(=O)[O-]	REAL300000354913	0	33	-2.0	-98.97	318.55	4.98	-93.99
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354914	1	37	-2.0	-105.97	345.02	6.46	-99.51
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C(C)=C1CC(=O)[O-]	REAL300000354915	0	46	-2.0	-130.72	377.55	8.95	-121.77
CC1=C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)C=CC=C1C(=O)[O-]	REAL300000354916	1	34	-2.0	-105.76	325.42	2.89	-102.87
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354917	0	46	-2.0	-107.11	378.39	7.11	-100.00
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354919	0	32	-2.0	-101.44	313.93	6.61	-94.83
CC1=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=CC=C1C(=O)[O-]	REAL300000354920	0	34	-2.0	-116.70	307.97	5.97	-110.73
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354921	0	36	-2.0	-105.64	333.79	4.59	-101.05
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354922	0	42	-2.0	-116.99	370.18	5.76	-111.23
CC1=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=CC=C1C(=O)[O-]	REAL300000354923	0	28	-2.0	-103.07	288.20	4.46	-98.61
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C(C2=CC=CC=C2)S1	REAL300000354924	0	40	-2.0	-120.81	367.19	7.14	-113.67
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C(C2=CC=CC=C2)O1	REAL300000354925	0	40	-2.0	-116.42	356.78	4.85	-111.57
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000354926	1	39	-2.0	-105.35	339.89	7.63	-97.72
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354927	0	41	-2.0	-115.01	343.64	7.42	-107.59
CC1=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C=CC=C1C(=O)[O-]	REAL300000354928	0	31	-2.0	-105.97	304.92	6.14	-99.83
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354932	1	43	-2.0	-110.34	372.12	8.01	-102.33
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354933	0	31	-2.0	-100.98	315.21	6.77	-94.21
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354934	0	31	-2.0	-101.50	309.03	5.89	-95.61
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(OC)=C1	REAL300000354935	0	41	-2.0	-109.24	363.03	6.11	-103.13
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000354936	1	34	-2.0	-114.80	318.01	6.67	-108.13
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C=CC=C1C(=O)[O-]	REAL300000354937	0	34	-2.0	-103.43	324.30	6.73	-96.70
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354938	1	34	-2.0	-106.20	326.54	7.01	-99.19
CC1=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=CC=C1C(=O)[O-]	REAL300000354939	0	34	-2.0	-105.63	321.75	4.63	-101.00
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354940	1	35	-2.0	-114.34	316.14	6.72	-107.62
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(C)C)C=CC=C1C(=O)[O-]	REAL300000354941	0	42	-2.0	-127.93	363.32	5.55	-122.38
CC1=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C=CC=C1C(=O)[O-]	REAL300000354942	1	34	-2.0	-108.18	330.41	2.83	-105.35
CC1=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C=CC=C1C(=O)[O-]	REAL300000354944	0	39	-2.0	-102.95	349.47	6.94	-96.01
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)C)C=CC=C1C(=O)[O-]	REAL300000354945	1	40	-2.0	-110.54	334.05	7.66	-102.88
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(C)=CS1	REAL300000354946	0	37	-2.0	-118.64	339.34	6.94	-111.70
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000354947	1	35	-2.0	-102.37	319.53	5.11	-97.26
CC1=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=CC=C1C(=O)[O-]	REAL300000354948	0	30	-2.0	-114.56	292.76	6.06	-108.50
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354949	0	39	-2.0	-113.95	353.43	7.72	-106.23
CC1=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C=CC=C1C(=O)[O-]	REAL300000354950	1	36	-2.0	-104.34	328.18	4.87	-99.47
CC1=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354951	0	30	-2.0	-100.45	305.00	5.50	-94.95
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000354953	1	39	-2.0	-109.06	347.21	3.88	-105.18
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000354954	1	34	-2.0	-100.29	339.30	7.24	-93.05
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354955	0	42	-2.0	-127.96	359.85	4.09	-123.87
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000354956	1	37	-2.0	-98.30	347.30	6.57	-91.73
CC1=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=CC=C1C(=O)[O-]	REAL300000354957	0	35	-2.0	-112.55	311.95	5.18	-107.37
CC1=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354958	0	32	-2.0	-104.51	313.95	6.61	-97.90
CC1=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=CC=C1C(=O)[O-]	REAL300000354959	0	34	-2.0	-106.26	327.78	4.80	-101.46
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354960	1	37	-2.0	-106.66	306.80	7.23	-99.43
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354961	0	39	-2.0	-121.38	334.00	6.16	-115.22
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354963	0	34	-2.0	-112.48	299.67	6.62	-105.86
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354964	1	34	-2.0	-101.68	316.82	7.03	-94.65
CC1=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C=CC=C1C(=O)[O-]	REAL300000354965	0	35	-2.0	-121.28	318.41	5.73	-115.55
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354966	0	44	-2.0	-107.02	370.25	7.12	-99.90
CC1=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)C=CC=C1C(=O)[O-]	REAL300000354967	0	31	-2.0	-104.98	306.84	6.35	-98.63
CC1=C2C=CC=C(S(=O)(=O)[N-]C3=C(C)C(C(=O)[O-])=CC=C3)C2=NC=C1	REAL300000354968	0	39	-2.0	-123.92	337.94	6.84	-117.08
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C=CC=C1C(=O)[O-]	REAL300000354970	1	35	-2.0	-112.39	335.08	3.03	-109.36
CC1=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=CC=C1C(=O)[O-]	REAL300000354971	0	32	-2.0	-114.76	304.83	3.96	-110.80
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000354972	0	34	-2.0	-106.07	308.41	3.21	-102.86
CC1=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)C=CC=C1C(=O)[O-]	REAL300000354973	0	31	-2.0	-109.34	306.12	6.33	-103.01
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1OC	REAL300000354974	1	41	-2.0	-105.53	365.89	6.45	-99.08
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354976	0	41	-2.0	-119.26	368.99	2.97	-116.29
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354978	0	37	-2.0	-106.33	327.47	6.80	-99.53
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000354979	0	37	-2.0	-101.77	340.79	7.23	-94.54
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000354979	1	36	-3.0	-171.62	342.49	7.28	-164.34
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)C=CC=C1C(=O)[O-]	REAL300000354980	1	41	-2.0	-108.11	351.37	5.49	-102.62
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354981	0	40	-2.0	-121.48	347.16	7.98	-113.50
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000354982	0	39	-2.0	-127.77	338.54	3.25	-124.52
CC1=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)C=CC=C1C(=O)[O-]	REAL300000354983	0	37	-2.0	-115.53	341.27	7.21	-108.32
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000354985	0	34	-2.0	-111.49	325.01	3.15	-108.34
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000354985	1	33	-3.0	-169.69	321.68	2.02	-167.67
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000354986	1	38	-2.0	-108.75	346.03	4.73	-104.02
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1OC	REAL300000354987	0	39	-2.0	-106.13	351.86	5.43	-100.70
CC1=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000354988	1	35	-2.0	-105.12	329.31	5.38	-99.74
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000354989	1	34	-2.0	-99.00	328.14	6.79	-92.21
CC1=C(NS(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354990	0	43	-2.0	-121.26	363.49	8.01	-113.25
CC1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000354990	1	42	-3.0	-172.35	358.14	8.33	-164.02
CC1=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C=CC=C1C(=O)[O-]	REAL300000354991	0	36	-2.0	-109.50	340.61	1.35	-108.15
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C=CC=C1C(=O)[O-]	REAL300000354992	1	35	-2.0	-114.84	306.75	6.92	-107.92
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C	REAL300000354993	1	42	-2.0	-108.76	375.54	2.84	-105.92
CC1=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C=CC=C1C(=O)[O-]	REAL300000354994	1	35	-2.0	-113.83	326.08	6.89	-106.94
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354995	0	31	-2.0	-102.36	309.90	6.73	-95.63
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(N)=NO1	REAL300000354997	0	32	-2.0	-99.91	291.35	3.10	-96.81
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C)OCC(=O)N2	REAL300000354998	0	41	-2.0	-111.24	359.02	2.68	-108.56
CC1=C([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000354999	0	31	-2.0	-100.59	310.08	7.04	-93.55
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355000	0	35	-2.0	-110.78	325.04	5.97	-104.81
CC1=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000355001	0	32	-2.0	-104.69	311.32	4.51	-100.18
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355004	1	38	-2.0	-109.73	325.00	5.72	-104.01
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Br)=C2)C=CC=C1C(=O)[O-]	REAL300000355005	1	32	-2.0	-99.51	324.31	6.64	-92.87
CC1=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C=CC=C1C(=O)[O-]	REAL300000355007	0	33	-2.0	-99.46	329.91	6.89	-92.57
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C=CC=C1C(=O)[O-]	REAL300000355008	0	29	-2.0	-99.07	292.57	5.21	-93.86
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C=CC=C1C(=O)[O-]	REAL300000355009	0	33	-2.0	-95.93	326.18	6.77	-89.16
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000355010	0	33	-2.0	-106.50	300.43	4.57	-101.93
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=CC=C1C(=O)[O-]	REAL300000355011	0	36	-2.0	-109.20	325.01	6.11	-103.09
COC1=CC(Cl)=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000355012	0	38	-2.0	-103.94	350.35	6.52	-97.42
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000355012	1	37	-3.0	-176.86	348.82	6.85	-170.01
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(F)=C1	REAL300000355013	0	37	-2.0	-106.89	340.29	6.38	-100.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000355014	0	37	-2.0	-103.67	343.13	6.42	-97.25
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355015	0	39	-2.0	-116.90	356.18	7.50	-109.40
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C#N	REAL300000355016	1	35	-2.0	-101.93	323.79	6.63	-95.30
CC1=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000355017	0	30	-2.0	-95.64	301.58	4.42	-91.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(F)=C1	REAL300000355018	0	35	-2.0	-109.85	315.02	5.02	-104.83
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1[N+](=O)[O-]	REAL300000355019	0	39	-2.0	-119.47	341.07	8.97	-110.50
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C=CC=C1C(=O)[O-]	REAL300000355020	1	37	-2.0	-107.86	341.05	7.44	-100.42
CC1=C([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000355022	0	35	-2.0	-113.21	327.79	6.53	-106.68
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=CC=C1C(=O)[O-]	REAL300000355023	1	34	-2.0	-106.31	314.22	6.59	-99.72
CC1=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=CC=C1C(=O)[O-]	REAL300000355024	1	41	-2.0	-113.84	358.03	9.14	-104.70
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)N(C)N=C1	REAL300000355026	0	34	-2.0	-101.15	296.93	4.12	-97.03
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355027	0	40	-2.0	-112.06	362.16	7.29	-104.77
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CN1C	REAL300000355028	0	43	-2.0	-109.32	385.84	6.95	-102.37
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C=CC=C1C(=O)[O-]	REAL300000355030	0	29	-2.0	-101.19	288.03	4.30	-96.89
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C(F)C=C1C	REAL300000355031	0	43	-2.0	-107.41	378.29	7.83	-99.58
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355032	1	45	-2.0	-119.42	395.37	3.94	-115.48
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355033	0	42	-2.0	-116.87	363.38	5.17	-111.70
CC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000355034	0	37	-2.0	-101.86	322.98	6.70	-95.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000355035	1	34	-2.0	-102.87	311.01	2.42	-100.45
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=CC=C1C(=O)[O-]	REAL300000355036	0	31	-2.0	-107.34	302.27	6.24	-101.10
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355038	1	42	-2.0	-106.62	358.42	6.81	-99.81
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355039	0	40	-2.0	-109.86	357.56	8.43	-101.43
CC1=C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)C=CC=C1C(=O)[O-]	REAL300000355040	0	40	-2.0	-109.53	353.39	8.14	-101.39
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000355041	0	34	-2.0	-106.09	322.30	7.54	-98.55
CC1=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=CC=C1C(=O)[O-]	REAL300000355042	0	34	-2.0	-109.73	316.54	7.01	-102.72
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355043	1	43	-2.0	-114.78	382.65	8.08	-106.70
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355044	0	37	-2.0	-120.92	340.71	7.69	-113.23
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)N(C)N=C1	REAL300000355045	0	40	-2.0	-107.86	350.12	5.71	-102.15
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355046	0	44	-2.0	-116.33	384.84	7.03	-109.30
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C	REAL300000355047	1	43	-2.0	-107.15	376.90	7.86	-99.29
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C=CC=C1C(=O)[O-]	REAL300000355048	0	42	-2.0	-119.97	357.78	6.88	-113.09
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)C=CC=C1C(=O)[O-]	REAL300000355049	1	35	-2.0	-98.69	340.49	6.91	-91.78
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=CC=C1C(=O)[O-]	REAL300000355050	0	34	-2.0	-112.32	306.63	4.29	-108.03
CC1=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2C#N)C=CC=C1C(=O)[O-]	REAL300000355051	0	32	-2.0	-112.40	317.83	6.44	-105.96
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355052	1	37	-2.0	-100.23	334.59	7.44	-92.79
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355053	1	38	-2.0	-111.43	335.18	5.95	-105.48
CC1=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=CC=C1C(=O)[O-]	REAL300000355054	0	31	-2.0	-108.85	302.43	6.51	-102.34
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=C2C=C1	REAL300000355056	1	40	-2.0	-111.86	351.12	8.67	-103.19
CC1=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=CC=C1C(=O)[O-]	REAL300000355057	0	28	-2.0	-106.17	288.01	5.11	-101.06
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355058	1	40	-2.0	-104.35	364.27	7.50	-96.85
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355059	0	31	-2.0	-106.40	293.60	5.32	-101.08
CC1=C([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)C)C=C2)C=CC=C1C(=O)[O-]	REAL300000355060	1	44	-2.0	-112.42	376.46	6.02	-106.40
CC1=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=CC=C1C(=O)[O-]	REAL300000355061	0	28	-2.0	-103.81	278.32	2.46	-101.35
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C=CC=C1C(=O)[O-]	REAL300000355062	0	36	-2.0	-115.34	334.58	6.72	-108.62
CC1=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=CC=C1C(=O)[O-]	REAL300000355063	0	30	-2.0	-103.02	286.98	3.78	-99.24
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355064	1	38	-2.0	-105.34	352.06	6.03	-99.31
CC1=C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)C=CC=C1C(=O)[O-]	REAL300000355065	0	40	-2.0	-103.84	348.24	4.80	-99.04
CC1=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C=CC=C1C(=O)[O-]	REAL300000355066	1	40	-2.0	-103.38	352.99	4.29	-99.09
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=CC=C1C(=O)[O-]	REAL300000355067	0	38	-3.0	-168.98	351.76	8.40	-160.58
CC1=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=CC=C1C(=O)[O-]	REAL300000355070	0	34	-2.0	-105.56	320.00	6.20	-99.36
CC1=C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C=CC=C1C(=O)[O-]	REAL300000355071	0	34	-2.0	-110.13	331.36	7.71	-102.42
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355072	0	36	-2.0	-117.06	321.21	5.25	-111.81
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355073	0	30	-2.0	-100.68	288.53	3.95	-96.73
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C=CC=C1C(=O)[O-]	REAL300000355074	0	33	-2.0	-104.96	321.15	7.60	-97.36
CC1=C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C=CC=C1C(=O)[O-]	REAL300000355076	0	35	-2.0	-98.38	325.98	5.28	-93.10
CC1=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C=CC=C1C(=O)[O-]	REAL300000355076	1	35	-2.0	-106.12	328.49	4.36	-101.76
CC1=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C=CC=C1C(=O)[O-]	REAL300000355077	0	37	-2.0	-102.66	336.38	7.05	-95.61
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)C=CC=C1C(=O)[O-]	REAL300000355078	0	33	-2.0	-99.57	328.85	5.45	-94.12
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355081	1	40	-2.0	-105.98	377.21	7.83	-98.15
CC1=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=CC=C1C(=O)[O-]	REAL300000355082	0	28	-2.0	-108.24	278.31	4.70	-103.54
CC1=CC2=CC(S(=O)(=O)[N-]C3=C(C)C(C(=O)[O-])=CC=C3)=CC=C2NC1=O	REAL300000355083	1	40	-2.0	-105.48	355.32	5.48	-100.00
CC1=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C=CC=C1C(=O)[O-]	REAL300000355084	0	37	-2.0	-120.55	340.88	4.08	-116.47
CC1=C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000355085	0	34	-2.0	-107.79	318.67	4.51	-103.28
CC1=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=CC=C1C(=O)[O-]	REAL300000355086	1	40	-2.0	-108.58	348.66	7.33	-101.25
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000355087	1	32	-2.0	-99.57	310.52	6.17	-93.40
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C(F)C=C1[N+](=O)[O-]	REAL300000355091	0	36	-2.0	-100.30	332.58	7.04	-93.26
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1C	REAL300000355092	0	37	-2.0	-106.06	328.79	6.67	-99.39
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=CC=C1C(=O)[O-]	REAL300000355093	0	32	-2.0	-106.48	312.95	4.95	-101.53
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=CC=C1C(=O)[O-]	REAL300000355094	0	35	-3.0	-188.03	332.25	8.08	-179.95
CC1=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C=CC=C1C(=O)[O-]	REAL300000355095	0	35	-2.0	-107.95	331.32	5.52	-102.43
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)=CC=C2N=C1Cl	REAL300000355096	1	39	-2.0	-105.33	360.31	7.12	-98.21
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C(F)C=C1C	REAL300000355098	0	40	-2.0	-107.19	356.13	6.91	-100.28
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=CC=C1C(=O)[O-]	REAL300000355099	0	31	-2.0	-99.27	312.62	5.85	-93.42
CC1=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=CC=C1C(=O)[O-]	REAL300000355100	0	36	-2.0	-112.79	317.05	2.57	-110.22
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000355101	0	34	-2.0	-108.62	310.17	6.29	-102.33
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CN=C1C	REAL300000355102	0	39	-2.0	-101.71	350.63	5.12	-96.59
CC1=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000355103	0	32	-2.0	-98.74	307.22	4.59	-94.15
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000355104	1	43	-2.0	-108.58	383.74	4.88	-103.70
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355105	0	33	-2.0	-98.91	307.61	5.03	-93.88
CC1=NC(S(=O)(=O)[N-]C2=C(C)C(C(=O)[O-])=CC=C2)=C(Br)N1C	REAL300000355106	0	34	-2.0	-117.77	325.53	5.12	-112.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C(F)(F)F	REAL300000355107	1	37	-2.0	-102.12	338.24	7.24	-94.88
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355108	1	40	-2.0	-115.06	360.79	7.17	-107.89
CC1=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=CC=C1C(=O)[O-]	REAL300000355109	1	33	-2.0	-99.69	323.58	5.61	-94.08
CC1=C(S(=O)(=O)[N-]C2=C(C)C(C(=O)[O-])=CC=C2)C=NN1C	REAL300000355113	0	34	-2.0	-105.79	300.70	3.88	-101.91
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000355114	1	35	-2.0	-108.42	311.14	6.75	-101.67
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355115	1	44	-2.0	-120.87	375.97	6.58	-114.29
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355116	0	34	-2.0	-106.17	303.42	4.01	-102.16
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355117	1	38	-2.0	-107.49	355.63	5.96	-101.53
CC1=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=CC=C1C(=O)[O-]	REAL300000355118	0	31	-2.0	-100.20	299.68	4.33	-95.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)OC(C)C	REAL300000355119	1	46	-2.0	-107.74	397.14	8.58	-99.16
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C=CC=C1C(=O)[O-]	REAL300000355121	1	36	-2.0	-106.86	330.25	2.94	-103.92
CC1=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000355122	0	31	-2.0	-104.99	295.68	3.19	-101.80
CC1=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=CC=C1C(=O)[O-]	REAL300000355123	0	37	-2.0	-102.20	326.35	5.58	-96.62
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355124	1	44	-2.0	-107.61	393.69	6.10	-101.51
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C(N(C)C)C=CC=C23)C=CC=C1C(=O)[O-]	REAL300000355125	1	45	-2.0	-112.42	374.52	7.82	-104.60
CC1=C([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C=CC=C1C(=O)[O-]	REAL300000355127	1	33	-2.0	-106.36	331.99	5.65	-100.71
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000355128	0	39	-2.0	-110.37	353.79	5.32	-105.05
CC1=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C=CC=C1C(=O)[O-]	REAL300000355129	0	39	-2.0	-100.15	354.99	4.30	-95.85
CC1=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C=CC=C1C(=O)[O-]	REAL300000355131	0	34	-2.0	-104.04	317.28	3.23	-100.81
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355132	1	44	-2.0	-110.05	376.43	6.92	-103.13
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000355133	1	35	-2.0	-102.97	329.34	5.60	-97.37
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C=CC=C1C(=O)[O-]	REAL300000355134	0	35	-2.0	-116.03	331.64	2.30	-113.73
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CC=C1C(=O)[O-]	REAL300000355135	0	33	-3.0	-183.94	312.14	6.24	-177.70
CC1=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=CC=C1C(=O)[O-]	REAL300000355136	0	28	-2.0	-112.40	283.45	3.75	-108.65
CC1=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=CC=C1C(=O)[O-]	REAL300000355137	0	33	-2.0	-118.48	311.24	5.08	-113.40
CC1=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=CC=C1C(=O)[O-]	REAL300000355138	1	36	-2.0	-111.92	319.63	5.58	-106.34
CC1=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=CC=C1C(=O)[O-]	REAL300000355140	0	37	-2.0	-116.07	330.55	7.96	-108.11
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C=CC=C1C(=O)[O-]	REAL300000355141	0	34	-2.0	-111.94	320.20	4.73	-107.21
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355142	0	37	-2.0	-114.82	348.48	7.19	-107.63
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355144	0	34	-2.0	-109.22	307.16	7.15	-102.07
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C=CC=C1C(=O)[O-]	REAL300000355145	0	35	-2.0	-105.40	324.46	5.78	-99.62
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=CC=C1C(=O)[O-]	REAL300000355146	0	36	-2.0	-117.72	316.35	5.47	-112.25
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000355147	1	40	-2.0	-111.05	366.23	7.22	-103.83
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C2=CC=CC(C)=C2S1	REAL300000355148	0	40	-2.0	-110.58	351.26	8.68	-101.90
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C=CC=C1C(=O)[O-]	REAL300000355149	0	35	-2.0	-105.65	334.78	6.23	-99.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(F)=C1	REAL300000355155	0	34	-2.0	-114.41	309.95	6.60	-107.81
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=CC=C1C(=O)[O-]	REAL300000355157	0	30	-2.0	-100.44	305.10	4.86	-95.58
CC1=C([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)C=CC=C1C(=O)[O-]	REAL300000355158	0	31	-2.0	-102.29	303.63	3.80	-98.49
CC1=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C=CC=C1C(=O)[O-]	REAL300000355159	1	36	-2.0	-108.71	327.67	4.19	-104.52
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000355161	0	37	-2.0	-101.32	332.03	6.82	-94.50
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000355161	1	36	-3.0	-169.67	333.82	6.89	-162.78
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355163	0	35	-2.0	-110.87	314.71	5.52	-105.35
CC1=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C=CC=C1C(=O)[O-]	REAL300000355164	1	34	-2.0	-99.75	323.44	4.83	-94.92
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000355165	1	39	-2.0	-107.54	346.44	7.56	-99.98
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355166	0	47	-2.0	-116.30	384.48	7.78	-108.52
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000355168	0	34	-2.0	-99.92	327.08	2.96	-96.96
CC1=C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000355169	1	35	-2.0	-104.61	333.89	3.89	-100.72
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000355170	1	34	-2.0	-103.89	319.30	6.83	-97.06
CC1=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=CC=C1C(=O)[O-]	REAL300000355171	1	37	-2.0	-118.02	331.94	6.72	-111.30
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=C2)=N1	REAL300000355172	1	40	-2.0	-106.76	366.29	7.13	-99.63
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355173	0	40	-2.0	-113.20	360.58	7.01	-106.19
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C([N+](=O)[O-])S1	REAL300000355174	0	33	-2.0	-114.34	314.62	6.85	-107.49
CC1=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000355176	0	33	-2.0	-98.66	318.56	5.66	-93.00
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=CC=C1C(=O)[O-]	REAL300000355177	1	34	-2.0	-103.82	325.83	3.93	-99.89
CC1=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=CC=C1C(=O)[O-]	REAL300000355178	0	30	-2.0	-110.51	280.56	3.83	-106.68
CC1=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=CC=C1C(=O)[O-]	REAL300000355181	0	30	-2.0	-99.62	285.24	3.89	-95.73
CC1=C([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)C=CC=C1C(=O)[O-]	REAL300000355183	0	33	-2.0	-106.06	330.65	5.63	-100.43
CC1=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C=CC=C1C(=O)[O-]	REAL300000355184	0	29	-2.0	-111.40	290.47	5.05	-106.35
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355185	0	38	-2.0	-111.80	347.00	7.44	-104.36
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000355188	1	31	-2.0	-100.55	306.41	6.30	-94.25
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=CC=C1C(=O)[O-]	REAL300000355189	0	40	-2.0	-115.16	341.76	6.01	-109.15
CC1=C([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C=CC=C1C(=O)[O-]	REAL300000355190	1	38	-2.0	-113.72	348.94	3.60	-110.12
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=CC=C1C(=O)[O-]	REAL300000355191	0	39	-2.0	-117.20	332.25	6.86	-110.34
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=C(C)C(C(=O)[O-])=CC=C1	REAL300000355192	0	41	-2.0	-107.82	353.79	4.64	-103.18
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(F)=C1	REAL300000355193	0	40	-2.0	-106.39	362.15	7.31	-99.08
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)S2)C1	REAL300000355198	0	42	-2.0	-107.95	369.56	6.09	-101.86
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000355199	1	46	-2.0	-111.32	389.92	8.01	-103.31
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355201	1	38	-2.0	-119.38	339.74	3.18	-116.20
CC1=C([N-]S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C=CC=C1C(=O)[O-]	REAL300000355204	1	43	-2.0	-108.76	367.89	7.18	-101.58
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)=C2)=N1	REAL300000355205	1	43	-2.0	-109.56	373.51	5.54	-104.02
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)N(C)N=C1	REAL300000355206	0	37	-2.0	-107.88	329.29	4.73	-103.15
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C	REAL300000355207	1	42	-2.0	-111.06	368.01	4.81	-106.25
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355208	0	36	-2.0	-94.63	336.19	7.48	-87.15
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000355209	1	39	-2.0	-105.17	365.90	4.63	-100.54
CC1=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C=CC=C1C(=O)[O-]	REAL300000355212	0	38	-2.0	-115.46	346.54	7.45	-108.01
COC(=O)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=CC=C12	REAL300000355213	1	43	-2.0	-108.74	371.18	8.48	-100.26
CC1=NC=C(S(=O)(=O)[N-]C2=C(C)C(C(=O)[O-])=CC=C2)N1C	REAL300000355214	0	34	-2.0	-105.68	299.42	4.63	-101.05
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1F	REAL300000355215	0	37	-2.0	-109.13	344.86	6.40	-102.73
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355216	1	44	-2.0	-111.89	373.83	7.39	-104.50
CC1=C([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C=CC=C1C(=O)[O-]	REAL300000355219	0	44	-2.0	-104.61	381.01	7.98	-96.63
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000355220	0	36	-2.0	-112.19	327.83	7.77	-104.42
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CN1CC1CC1	REAL300000355221	0	44	-2.0	-120.04	382.69	7.68	-112.36
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)O1	REAL300000355222	0	37	-2.0	-104.03	341.26	5.11	-98.92
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=C2C1	REAL300000355223	1	42	-2.0	-115.03	367.61	6.24	-108.79
CC1=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=CC=C1C(=O)[O-]	REAL300000355224	0	34	-2.0	-104.76	319.81	5.16	-99.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(C)=C1[N+](=O)[O-]	REAL300000355226	1	39	-2.0	-103.92	344.11	7.97	-95.95
CC1=C(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000355227	0	40	-2.0	-114.34	347.73	8.28	-106.06
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000355227	1	39	-3.0	-187.93	353.72	8.43	-179.50
CC1=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C=CC=C1C(=O)[O-]	REAL300000355228	0	34	-2.0	-95.00	321.64	4.27	-90.73
CC1=C([N-]S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C=CC=C1C(=O)[O-]	REAL300000355229	1	42	-2.0	-110.54	384.74	9.86	-100.68
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=CC=C1C(=O)[O-]	REAL300000355230	0	30	-2.0	-103.65	297.44	4.26	-99.39
CC1=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=CC=C1C(=O)[O-]	REAL300000355231	1	41	-2.0	-118.99	346.13	9.05	-109.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(F)=C1F	REAL300000355233	0	34	-2.0	-110.68	312.12	6.43	-104.25
CC1=C([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C=CC=C1C(=O)[O-]	REAL300000355234	0	30	-2.0	-103.78	302.03	4.34	-99.44
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)OC=C1	REAL300000355235	0	34	-2.0	-115.77	317.21	5.11	-110.66
CC1=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C=CC=C1C(=O)[O-]	REAL300000355237	0	33	-2.0	-121.29	312.21	4.63	-116.66
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(C)=N1	REAL300000355238	0	43	-2.0	-105.84	367.95	6.41	-99.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C(OC)C=C1F	REAL300000355239	0	41	-2.0	-105.87	367.52	6.13	-99.74
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1C(=O)[O-]	REAL300000355241	0	32	-3.0	-175.86	308.77	4.44	-171.42
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355242	0	35	-2.0	-106.80	309.86	5.68	-101.12
CC1=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000355244	1	43	-2.0	-106.24	362.04	7.98	-98.26
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C=CC=C1C(=O)[O-]	REAL300000355245	1	32	-2.0	-100.48	311.06	6.20	-94.28
CC1=C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)C=CC=C1C(=O)[O-]	REAL300000355247	0	34	-2.0	-102.86	313.18	4.28	-98.58
CC1=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=CC=C1C(=O)[O-]	REAL300000355248	0	33	-2.0	-119.17	303.22	4.84	-114.33
CC1=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=CC=C1C(=O)[O-]	REAL300000355248	1	33	-2.0	-106.69	303.30	4.71	-101.98
CC1=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=CC=C1C(=O)[O-]	REAL300000355249	0	35	-2.0	-115.36	313.80	5.63	-109.73
CC1=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C=CC=C1C(=O)[O-]	REAL300000355250	0	41	-2.0	-105.86	344.82	5.85	-100.01
CC1=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C=CC=C1C(=O)[O-]	REAL300000355251	0	43	-2.0	-105.14	346.89	6.22	-98.92
CC1=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=CC=C1C(=O)[O-]	REAL300000355253	0	41	-2.0	-106.82	351.23	6.08	-100.74
CC1=C([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C=CC=C1C(=O)[O-]	REAL300000355254	0	34	-2.0	-99.31	314.38	4.55	-94.76
CC1=C([N-]S(=O)(=O)C2=CN(C)N=C2Br)C=CC=C1C(=O)[O-]	REAL300000355255	0	31	-2.0	-106.07	305.24	3.86	-102.21
CC1=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=CC=C1C(=O)[O-]	REAL300000355259	0	32	-2.0	-99.81	293.73	4.35	-95.46
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=CC=C1C(=O)[O-]	REAL300000355259	1	32	-2.0	-105.23	296.23	3.42	-101.81
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355261	0	34	-2.0	-122.69	316.11	3.31	-119.38
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355262	0	37	-2.0	-105.84	322.90	4.81	-101.03
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000355263	1	36	-2.0	-108.70	329.61	6.23	-102.47
CC1=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C=CC=C1C(=O)[O-]	REAL300000355264	0	31	-2.0	-100.84	285.24	3.01	-97.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(C#N)=C1	REAL300000355265	0	35	-2.0	-114.86	319.56	6.60	-108.26
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355266	0	35	-2.0	-115.05	311.83	6.88	-108.17
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000355267	1	34	-2.0	-104.75	323.04	6.69	-98.06
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C=CC=C1C(=O)[O-]	REAL300000355271	1	38	-2.0	-110.84	343.82	7.62	-103.22
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355273	0	31	-2.0	-98.11	299.28	1.45	-96.66
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355274	0	45	-2.0	-126.49	377.24	5.14	-121.35
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355278	0	37	-3.0	-167.33	336.70	6.01	-161.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1C	REAL300000355278	1	38	-2.0	-107.81	337.42	6.03	-101.78
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C(C(N)=O)O1	REAL300000355279	0	35	-2.0	-105.58	319.56	1.27	-104.31
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355280	1	40	-2.0	-107.18	328.38	8.01	-99.17
CC1=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=CC=C1C(=O)[O-]	REAL300000355281	0	31	-2.0	-106.18	295.42	5.71	-100.47
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000355283	0	30	-3.0	-162.13	308.60	5.19	-156.94
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355284	0	47	-2.0	-107.63	398.09	8.56	-99.07
CC1=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=CC=C1C(=O)[O-]	REAL300000355285	1	36	-2.0	-116.91	316.28	6.15	-110.76
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355286	0	38	-2.0	-109.00	341.45	5.85	-103.15
CC1=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C=CC=C1C(=O)[O-]	REAL300000355287	0	32	-2.0	-110.70	305.85	6.08	-104.62
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355288	0	34	-2.0	-99.96	338.66	5.03	-94.93
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC(C)(C)C3=C2)C=CC=C1C(=O)[O-]	REAL300000355289	1	45	-2.0	-107.33	379.38	5.81	-101.52
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=C21	REAL300000355290	1	45	-2.0	-130.78	384.65	7.67	-123.11
CC1=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=CC=C1C(=O)[O-]	REAL300000355291	0	38	-2.0	-106.87	333.72	5.41	-101.46
CC1=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=CC=C1C(=O)[O-]	REAL300000355292	0	38	-2.0	-102.81	325.29	5.63	-97.18
CC1=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=CC=C1C(=O)[O-]	REAL300000355293	0	41	-2.0	-102.74	349.42	6.28	-96.46
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C2=CC=CC=C12	REAL300000355294	0	43	-2.0	-108.31	370.86	8.49	-99.82
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355295	0	44	-2.0	-117.94	384.83	7.02	-110.92
CC1=C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=CC=C1C(=O)[O-]	REAL300000355296	0	32	-2.0	-98.36	320.50	5.32	-93.04
CC1=C([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000355297	0	36	-2.0	-112.39	331.72	4.68	-107.71
CC1=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C=CC=C1C(=O)[O-]	REAL300000355298	0	42	-2.0	-112.80	355.10	3.66	-109.14
CC1=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C=CC=C1C(=O)[O-]	REAL300000355299	0	37	-2.0	-106.97	346.87	6.56	-100.41
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=CC=C1C(=O)[O-]	REAL300000355300	1	37	-2.0	-106.97	334.54	2.95	-104.02
CC1=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=CC=C1C(=O)[O-]	REAL300000355301	0	28	-2.0	-106.47	284.75	4.48	-101.99
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000355302	1	35	-2.0	-99.32	329.72	5.28	-94.04
CC1=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=CC=C1C(=O)[O-]	REAL300000355303	0	38	-2.0	-110.60	328.20	5.76	-104.84
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000355304	0	35	-2.0	-105.34	321.26	5.10	-100.24
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C=CC=C1C(=O)[O-]	REAL300000355306	0	41	-2.0	-112.77	355.09	7.10	-105.67
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355307	1	34	-2.0	-104.81	304.77	6.33	-98.48
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C=CC=C1C(=O)[O-]	REAL300000355308	0	39	-2.0	-118.75	337.31	6.24	-112.51
CC1=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C=CC=C1C(=O)[O-]	REAL300000355309	0	39	-2.0	-104.83	348.73	5.32	-99.51
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C=CC=C1C(=O)[O-]	REAL300000355310	1	39	-2.0	-110.92	348.33	7.87	-103.05
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355311	0	35	-2.0	-110.81	316.54	6.32	-104.49
CC1=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C=CC=C1C(=O)[O-]	REAL300000355312	0	37	-2.0	-113.45	333.76	6.28	-107.17
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=C21	REAL300000355313	1	45	-2.0	-129.45	384.16	7.40	-122.05
CC1=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=CC=C1C(=O)[O-]	REAL300000355314	0	28	-2.0	-105.29	285.46	5.09	-100.20
CC1=C([N-]S(=O)(=O)C2=CC(Br)=NN2C)C=CC=C1C(=O)[O-]	REAL300000355315	0	31	-2.0	-96.60	302.01	3.78	-92.82
CC1=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000355316	0	33	-2.0	-99.76	317.72	4.88	-94.88
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355317	0	36	-2.0	-122.07	321.80	5.25	-116.82
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355318	0	33	-2.0	-96.04	295.28	2.99	-93.05
CC1=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=CC=C1C(=O)[O-]	REAL300000355320	1	32	-2.0	-98.67	298.70	4.52	-94.15
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=CC=C1C(=O)[O-]	REAL300000355321	0	34	-2.0	-109.78	318.88	7.08	-102.70
CC1=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=CC=C1C(=O)[O-]	REAL300000355322	0	34	-2.0	-121.36	324.97	5.36	-116.00
CC1=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C=CC=C1C(=O)[O-]	REAL300000355323	0	38	-2.0	-101.81	332.01	5.38	-96.43
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1OC	REAL300000355325	0	39	-2.0	-111.60	332.86	5.46	-106.14
CC1=C([N-]S(=O)(=O)C2=CC=C(Br)C(C#N)=C2)C=CC=C1C(=O)[O-]	REAL300000355327	1	32	-2.0	-99.88	324.33	6.64	-93.24
CC1=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=CC=C1C(=O)[O-]	REAL300000355328	0	34	-2.0	-110.20	309.83	5.94	-104.26
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1OC	REAL300000355329	0	39	-2.0	-116.00	339.49	5.98	-110.02
CC1=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C=CC=C1C(=O)[O-]	REAL300000355330	0	44	-2.0	-109.75	368.86	6.56	-103.19
CC1=C([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)C=CC=C1C(=O)[O-]	REAL300000355331	0	35	-2.0	-111.96	330.92	7.60	-104.36
CC1=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C=CC=C1C(=O)[O-]	REAL300000355332	0	38	-2.0	-109.69	339.13	5.66	-104.03
CC1=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=CC=C1C(=O)[O-]	REAL300000355334	0	34	-2.0	-115.33	309.49	4.87	-110.46
CC1=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C=CC=C1C(=O)[O-]	REAL300000355335	0	36	-2.0	-125.66	324.61	4.06	-121.60
CC1=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C=CC=C1C(=O)[O-]	REAL300000355337	0	38	-2.0	-108.35	320.75	7.63	-100.72
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CN=C1N	REAL300000355338	1	35	-2.0	-108.51	311.84	3.44	-105.07
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355339	0	31	-2.0	-105.37	297.34	1.52	-103.85
CC1=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=CC=C1C(=O)[O-]	REAL300000355342	1	34	-2.0	-105.94	313.78	6.04	-99.90
CC1=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C=CC=C1C(=O)[O-]	REAL300000355343	0	41	-2.0	-109.00	351.56	6.06	-102.94
CC1=C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)C=CC=C1C(=O)[O-]	REAL300000355344	1	49	-2.0	-111.70	394.27	9.57	-102.13
CC1=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=CC=C1C(=O)[O-]	REAL300000355345	0	28	-2.0	-104.80	285.89	5.20	-99.60
CC1=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=CC=C1C(=O)[O-]	REAL300000355346	0	41	-2.0	-107.21	357.82	6.39	-100.82
CC1=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=CC=C1C(=O)[O-]	REAL300000355347	0	35	-2.0	-113.31	321.94	6.85	-106.46
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C=CC=C1C(=O)[O-]	REAL300000355348	0	42	-2.0	-113.66	378.57	8.48	-105.18
CC1=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)C=CC=C1C(=O)[O-]	REAL300000355349	1	44	-2.0	-116.49	369.86	4.06	-112.43
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C2=NC=CC=C2C=C1	REAL300000355350	0	40	-2.0	-132.35	345.47	6.86	-125.49
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355351	1	40	-2.0	-110.54	348.23	7.95	-102.59
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355352	0	37	-2.0	-100.10	336.33	4.00	-96.10
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C=CC=C1C(=O)[O-]	REAL300000355353	0	32	-2.0	-110.29	304.55	6.00	-104.29
CC1=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C=CC=C1C(=O)[O-]	REAL300000355354	0	38	-2.0	-106.59	329.54	5.26	-101.33
CC1=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000355355	0	35	-2.0	-96.27	340.29	7.08	-89.19
COC(=O)C1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=C2C=C1	REAL300000355357	1	43	-2.0	-108.65	384.51	8.65	-100.00
CC1=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C=CC=C1C(=O)[O-]	REAL300000355359	0	40	-2.0	-99.93	327.04	5.53	-94.40
CC1=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C=CC=C1C(=O)[O-]	REAL300000355360	0	40	-2.0	-107.42	348.34	5.44	-101.98
CC1=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=CC=C1C(=O)[O-]	REAL300000355361	0	38	-2.0	-106.20	328.57	4.77	-101.43
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CN=C1C(F)(F)F	REAL300000355362	0	36	-2.0	-99.49	334.76	5.55	-93.94
CC1=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C=CC=C1C(=O)[O-]	REAL300000355363	0	42	-2.0	-106.49	358.09	6.55	-99.94
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000355364	0	33	-2.0	-93.84	322.85	6.48	-87.36
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000355365	1	34	-2.0	-100.00	328.97	6.80	-93.20
CC1=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=CC=C1C(=O)[O-]	REAL300000355366	1	34	-2.0	-108.22	308.06	6.48	-101.74
CC1=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=CC=C1C(=O)[O-]	REAL300000355367	0	31	-2.0	-106.56	301.64	6.01	-100.55
CC1=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000355368	0	31	-2.0	-100.89	315.56	5.84	-95.05
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355369	0	34	-2.0	-100.92	301.22	3.92	-97.00
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300000355371	1	34	-2.0	-99.11	335.72	7.15	-91.96
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=CC=C1C(=O)[O-]	REAL300000355373	1	34	-2.0	-116.80	300.65	6.95	-109.85
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355374	1	42	-2.0	-118.57	368.42	7.77	-110.80
CC1=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)C=CC=C1C(=O)[O-]	REAL300000355376	1	41	-2.0	-112.58	364.06	7.43	-105.15
CC1=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)C=CC=C1C(=O)[O-]	REAL300000355378	0	36	-2.0	-104.86	338.82	6.13	-98.73
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000355379	1	40	-2.0	-108.03	358.49	7.31	-100.72
CC1=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C=CC=C1C(=O)[O-]	REAL300000355380	0	32	-2.0	-107.69	312.67	6.51	-101.18
CC1=C([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)C=CC=C1C(=O)[O-]	REAL300000355381	0	40	-2.0	-116.76	357.82	5.78	-110.98
CC1=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000355382	0	31	-2.0	-107.66	300.07	5.90	-101.76
CC1=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=CC=C1C(=O)[O-]	REAL300000355383	1	38	-2.0	-110.52	333.05	7.84	-102.68
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=CS1	REAL300000355384	0	32	-2.0	-111.30	302.30	4.10	-107.20
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000355385	0	34	-2.0	-106.00	311.93	7.09	-98.91
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355386	0	37	-2.0	-103.18	345.01	5.96	-97.22
CC1=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=CC=C1C(=O)[O-]	REAL300000355387	0	38	-2.0	-111.21	334.78	7.83	-103.38
CC1=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=CC=C1C(=O)[O-]	REAL300000355388	0	41	-2.0	-103.15	344.84	6.26	-96.89
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355389	0	40	-2.0	-102.31	339.97	5.55	-96.76
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000355390	1	40	-2.0	-113.69	351.24	3.18	-110.51
CC1=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)C=CC=C1C(=O)[O-]	REAL300000355392	0	34	-2.0	-114.56	334.00	2.16	-112.40
CC1=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C=CC=C1C(=O)[O-]	REAL300000355393	0	36	-2.0	-117.57	323.66	4.02	-113.55
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)O1	REAL300000355394	0	34	-2.0	-108.47	310.18	5.36	-103.11
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355395	0	43	-2.0	-123.70	371.01	9.33	-114.37
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=CC=C1C(=O)[O-]	REAL300000355396	0	31	-2.0	-101.71	307.95	4.98	-96.73
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355397	0	35	-2.0	-103.72	321.01	5.56	-98.16
CC1=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)C=CC=C1C(=O)[O-]	REAL300000355398	0	45	-2.0	-107.66	378.38	4.80	-102.86
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000355399	1	37	-2.0	-109.21	337.06	7.27	-101.94
CC1=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000355400	1	35	-2.0	-108.59	323.08	5.31	-103.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000355402	0	32	-2.0	-104.60	303.85	4.11	-100.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C2=NC=CC=C12	REAL300000355403	0	42	-2.0	-124.59	351.50	7.95	-116.64
CC1=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=CC=C1C(=O)[O-]	REAL300000355405	0	34	-2.0	-104.11	316.49	4.44	-99.67
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355406	1	41	-2.0	-111.22	360.76	6.43	-104.79
CC1=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)C=CC=C1C(=O)[O-]	REAL300000355407	0	34	-2.0	-103.55	331.73	5.12	-98.43
CC1=C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C=CC=C1C(=O)[O-]	REAL300000355408	0	41	-2.0	-103.67	359.73	6.84	-96.83
CC1=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=CC=C1C(=O)[O-]	REAL300000355409	0	44	-2.0	-106.50	370.21	6.68	-99.82
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=CC=C1C(=O)[O-]	REAL300000355411	1	34	-2.0	-111.01	301.73	6.56	-104.45
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355412	1	43	-2.0	-112.16	368.94	8.44	-103.72
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC(C)=C1Br	REAL300000355413	1	37	-2.0	-103.99	337.76	7.41	-96.58
CC1=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=CC=C1C(=O)[O-]	REAL300000355414	0	34	-2.0	-110.67	305.56	6.05	-104.62
CC1=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=CC=C1C(=O)[O-]	REAL300000355415	1	33	-2.0	-110.50	314.76	5.12	-105.38
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000355416	0	33	-2.0	-107.21	304.67	2.58	-104.63
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1Cl	REAL300000355417	0	34	-2.0	-102.98	321.70	4.57	-98.41
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C=CC=C1C(=O)[O-]	REAL300000355419	0	33	-2.0	-102.37	321.07	4.93	-97.44
CC1=C([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C=CC=C1C(=O)[O-]	REAL300000355420	0	36	-2.0	-119.23	336.49	6.85	-112.38
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=CC=C1C(=O)[O-]	REAL300000355421	0	28	-2.0	-102.80	283.57	4.35	-98.45
CC1=C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C=CC=C1C(=O)[O-]	REAL300000355422	1	36	-2.0	-116.85	333.26	6.62	-110.23
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C(C(=O)[O-])=CC=C2)C2=CC=CC=C12	REAL300000355423	1	40	-2.0	-117.00	338.83	8.50	-108.50
CC1=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)C(=O)N3C)C=CC=C1C(=O)[O-]	REAL300000355425	1	45	-2.0	-105.80	387.96	7.21	-98.59
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=CC=C1C(=O)[O-]	REAL300000355426	0	31	-2.0	-102.88	307.55	6.27	-96.61
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)O1	REAL300000355427	0	37	-2.0	-119.43	347.47	2.03	-117.40
CC1=C([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C=CC=C1C(=O)[O-]	REAL300000355428	0	41	-2.0	-111.11	357.63	7.07	-104.04
CC1=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=CC=C1C(=O)[O-]	REAL300000355432	0	35	-2.0	-107.81	323.87	6.97	-100.84
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C=CC=C1C(=O)[O-]	REAL300000355433	1	34	-2.0	-99.78	329.26	6.55	-93.23
CC1=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C=CC=C1C(=O)[O-]	REAL300000355435	0	27	-2.0	-97.45	283.99	4.08	-93.37
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000355436	1	41	-2.0	-107.74	366.73	7.56	-100.18
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=NN1	REAL300000355437	0	37	-2.0	-106.94	344.18	3.53	-103.41
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1OC	REAL300000355438	0	36	-2.0	-108.37	333.04	3.66	-104.71
CC1=C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000355439	0	32	-2.0	-86.66	318.16	4.33	-82.33
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000355439	1	31	-3.0	-161.93	316.63	4.70	-157.23
CC1=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300000355440	0	30	-2.0	-95.39	301.47	4.37	-91.02
CC1=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C=CC=C1C(=O)[O-]	REAL300000355441	0	35	-2.0	-108.27	330.97	6.35	-101.92
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000355442	1	35	-2.0	-107.84	329.32	5.39	-102.45
CC1=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C=CC=C1C(=O)[O-]	REAL300000355443	0	37	-2.0	-106.06	324.45	5.60	-100.46
CC1=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C=CC=C1C(=O)[O-]	REAL300000355444	1	38	-2.0	-115.67	337.55	7.50	-108.17
CC1=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C=CC=C1C(=O)[O-]	REAL300000355445	0	34	-2.0	-109.70	310.73	7.07	-102.63
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C=CC=C1C(=O)[O-]	REAL300000355446	1	40	-2.0	-104.13	362.69	6.23	-97.90
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=CC=C1C(=O)[O-]	REAL300000355447	0	28	-2.0	-97.04	305.11	5.76	-91.28
CC1=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C=CC=C1C(=O)[O-]	REAL300000355448	0	31	-2.0	-102.68	299.92	3.70	-98.98
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355449	0	44	-2.0	-108.67	373.44	8.06	-100.61
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C=CC=C1C(=O)[O-]	REAL300000355450	1	36	-2.0	-105.72	331.51	6.30	-99.42
CC1=C([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C=CC=C1C(=O)[O-]	REAL300000355451	1	42	-2.0	-110.91	373.40	8.63	-102.28
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C=CC=C1C(=O)[O-]	REAL300000355452	1	37	-2.0	-119.41	317.50	7.47	-111.94
CC1=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C=CC=C1C(=O)[O-]	REAL300000355453	0	29	-2.0	-107.86	288.25	4.20	-103.66
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C=CC=C1C(=O)[O-]	REAL300000355454	1	36	-2.0	-106.02	338.69	4.31	-101.71
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C=CC=C1C(=O)[O-]	REAL300000355455	0	32	-2.0	-108.77	321.54	4.45	-104.32
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000355456	0	40	-2.0	-111.27	361.96	4.71	-106.56
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000355456	1	39	-3.0	-171.14	358.66	3.58	-167.56
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355457	0	33	-2.0	-98.57	307.80	5.05	-93.52
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355458	1	42	-2.0	-112.09	367.17	7.35	-104.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(C2CC2)=N1	REAL300000355459	0	41	-2.0	-109.90	360.89	6.55	-103.35
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C2=NSN=C2C=C1	REAL300000355460	0	35	-2.0	-114.96	318.05	5.01	-109.95
CC1=C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C=CC=C1C(=O)[O-]	REAL300000355461	1	37	-2.0	-107.09	346.47	8.52	-98.57
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C(Cl)S1	REAL300000355464	0	34	-2.0	-111.31	336.35	6.58	-104.73
CCC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Br	REAL300000355465	1	37	-2.0	-104.32	342.85	7.60	-96.72
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355466	0	44	-2.0	-104.11	366.74	6.86	-97.25
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=CC=C1C(=O)[O-]	REAL300000355467	0	28	-2.0	-104.16	278.80	4.15	-100.01
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=CC=C1C(=O)[O-]	REAL300000355468	0	28	-2.0	-101.70	288.85	5.17	-96.53
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355469	0	45	-2.0	-115.26	384.88	5.96	-109.30
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C=CC=C1C(=O)[O-]	REAL300000355470	0	37	-2.0	-111.69	338.91	8.49	-103.20
CC1=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C=CC=C1C(=O)[O-]	REAL300000355471	0	39	-2.0	-104.20	336.11	3.50	-100.70
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=CC=C1C(=O)[O-]	REAL300000355472	1	38	-2.0	-112.52	327.37	7.90	-104.62
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(C)=N1	REAL300000355476	1	37	-2.0	-101.43	322.90	3.10	-98.33
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355477	0	37	-2.0	-111.90	327.47	3.48	-108.42
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355479	0	34	-2.0	-105.75	322.75	3.32	-102.43
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C	REAL300000355480	1	37	-2.0	-103.73	331.15	3.15	-100.58
CC1=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C=CC=C1C(=O)[O-]	REAL300000355481	0	40	-2.0	-106.82	351.24	5.83	-100.99
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355482	0	40	-2.0	-106.48	343.63	5.40	-101.08
CC1=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=CC=C1C(=O)[O-]	REAL300000355483	0	30	-2.0	-105.60	311.43	3.74	-101.86
CC1=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C=CC=C1C(=O)[O-]	REAL300000355484	0	29	-2.0	-107.94	283.05	4.06	-103.88
CC1=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C=CC=C1C(=O)[O-]	REAL300000355485	0	29	-2.0	-107.82	292.08	4.98	-102.84
CC1=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C=CC=C1C(=O)[O-]	REAL300000355487	0	37	-2.0	-101.80	321.74	4.91	-96.89
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C	REAL300000355488	0	39	-2.0	-101.61	351.08	5.13	-96.48
CC1=C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=CC=C1C(=O)[O-]	REAL300000355489	0	41	-2.0	-102.32	353.25	8.05	-94.27
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=CC=C1C(=O)[O-]	REAL300000355489	1	40	-3.0	-169.04	354.62	8.10	-160.94
CC1=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C=CC=C1C(=O)[O-]	REAL300000355490	0	34	-2.0	-113.56	322.17	7.50	-106.06
CC1=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=CC=C1C(=O)[O-]	REAL300000355491	0	38	-2.0	-101.54	332.32	5.78	-95.76
CC1=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=CC=C1C(=O)[O-]	REAL300000355492	0	38	-2.0	-107.49	331.98	6.86	-100.63
CC1=C(S(=O)(=O)[N-]C2=C(C)C(C(=O)[O-])=CC=C2)C=NN1C(C)C	REAL300000355494	0	40	-2.0	-106.38	344.55	5.40	-100.98
CC1=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000355495	1	38	-2.0	-114.68	344.03	7.95	-106.73
CC1=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=CC=C1C(=O)[O-]	REAL300000355496	0	33	-2.0	-108.92	313.08	4.85	-104.07
CC1=C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)C=CC=C1C(=O)[O-]	REAL300000355497	0	31	-2.0	-105.41	319.47	1.79	-103.62
CC1=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C=CC=C1C(=O)[O-]	REAL300000355500	1	38	-2.0	-109.95	341.56	7.90	-102.05
CC1=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C=CC=C1C(=O)[O-]	REAL300000355501	0	35	-2.0	-109.85	330.49	6.12	-103.73
CC1=C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=CC=C1C(=O)[O-]	REAL300000355502	0	41	-2.0	-115.10	351.06	8.03	-107.07
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=CC=C1C(=O)[O-]	REAL300000355502	1	40	-3.0	-178.34	356.40	8.17	-170.17
CC1=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=CC=C1C(=O)[O-]	REAL300000355503	1	32	-2.0	-109.86	294.84	2.88	-106.98
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355504	1	40	-2.0	-111.21	347.09	7.52	-103.69
CC1=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=CC=C1C(=O)[O-]	REAL300000355505	0	34	-2.0	-111.06	317.71	6.59	-104.47
CC1=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=CC=C1C(=O)[O-]	REAL300000355506	0	35	-2.0	-120.34	331.88	5.00	-115.34
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=CC=C1C(=O)[O-]	REAL300000355507	1	38	-2.0	-115.52	335.89	7.96	-107.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(Cl)=C1Cl	REAL300000355508	0	34	-2.0	-107.18	327.09	7.26	-99.92
CC1=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C=CC=C1C(=O)[O-]	REAL300000355509	0	35	-2.0	-102.99	331.52	5.51	-97.48
CC1=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C=CC=C1C(=O)[O-]	REAL300000355510	0	38	-2.0	-107.67	347.93	6.70	-100.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C(C(F)F)=C1	REAL300000355511	1	38	-2.0	-104.78	337.49	5.97	-98.81
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)OC	REAL300000355512	1	44	-2.0	-107.75	387.75	7.36	-100.39
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3C)C=C2C1	REAL300000355513	1	44	-2.0	-113.51	383.13	8.25	-105.26
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355514	0	36	-2.0	-114.86	320.83	5.24	-109.62
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355515	0	37	-2.0	-104.46	345.15	3.83	-100.63
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1C	REAL300000355516	0	37	-2.0	-124.32	332.84	7.16	-117.16
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C(C(=O)[O-])=CC=C2)C2=NC=CC=C12	REAL300000355517	0	39	-2.0	-124.39	337.79	6.82	-117.57
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C(C(=O)[O-])O1	REAL300000355518	0	36	-3.0	-167.38	330.64	6.20	-161.18
CCC1=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2C)C=C(C(=O)[O-])O1	REAL300000355518	1	37	-2.0	-100.94	334.01	5.77	-95.17
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355519	0	44	-2.0	-117.59	369.57	7.66	-109.93
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)C=C(Cl)S1	REAL300000355520	0	31	-2.0	-100.49	306.60	6.04	-94.45
CC1=C([N-]S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C=CC=C1C(=O)[O-]	REAL300000355521	0	38	-2.0	-109.21	352.39	6.62	-102.59
CC1=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=CC=C1C(=O)[O-]	REAL300000355522	0	38	-2.0	-108.74	329.82	5.07	-103.67
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000355523	0	34	-2.0	-112.78	306.95	6.39	-106.39
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355524	1	40	-2.0	-113.45	351.52	6.99	-106.46
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355525	1	37	-2.0	-113.06	336.08	6.20	-106.86
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1C(=O)[O-]	REAL300000355528	0	31	-2.0	-117.16	289.81	5.84	-111.32
CC1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355529	0	34	-2.0	-102.37	317.27	5.26	-97.11
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CC=C1C(=O)[O-]	REAL300000355530	0	30	-2.0	-100.22	293.19	4.18	-96.04
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000355531	1	32	-2.0	-106.87	302.14	5.94	-100.93
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=CC=C1C(=O)[O-]	REAL300000355532	1	32	-2.0	-102.73	302.13	5.94	-96.79
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=CC=C1C(=O)[O-]	REAL300000355533	0	31	-2.0	-107.58	307.62	6.24	-101.34
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000355534	0	34	-2.0	-105.25	323.90	7.45	-97.80
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=CC=C1C(=O)[O-]	REAL300000355535	0	32	-2.0	-117.21	299.41	5.85	-111.36
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Br	REAL300000355536	1	34	-2.0	-104.20	320.81	6.73	-97.47
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=CC=C1C(=O)[O-]	REAL300000355538	0	31	-2.0	-110.37	297.79	6.26	-104.11
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000355541	0	41	-2.0	-101.73	368.73	4.69	-97.04
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000355541	1	40	-3.0	-155.83	366.24	4.70	-151.13
CC1=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355542	0	34	-2.0	-122.63	316.80	6.13	-116.50
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000355544	0	35	-2.0	-107.20	334.55	7.75	-99.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1[N+](=O)[O-]	REAL300000355546	1	36	-2.0	-107.66	325.32	6.74	-100.92
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355547	0	41	-3.0	-175.30	369.39	7.20	-168.10
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355547	1	42	-2.0	-113.28	371.98	7.20	-106.08
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355548	0	34	-2.0	-105.91	301.59	3.50	-102.41
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=CC=C1C(=O)[O-]	REAL300000355549	0	28	-2.0	-102.20	294.91	5.27	-96.93
CC1=CC([N-]S(=O)(=O)C2=C(C)C(Cl)=CC(C)=C2Cl)=CC=C1C(=O)[O-]	REAL300000355550	0	37	-2.0	-106.62	340.98	8.03	-98.59
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000355553	1	34	-2.0	-101.89	320.06	6.55	-95.34
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000355555	0	34	-2.0	-103.23	312.26	6.11	-97.12
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355556	0	39	-2.0	-118.27	339.04	4.63	-113.64
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355559	0	33	-2.0	-99.58	294.48	4.51	-95.07
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000355560	1	31	-2.0	-100.96	313.24	6.53	-94.43
CC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355561	0	34	-2.0	-98.28	312.29	6.10	-92.18
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355561	1	33	-3.0	-175.80	309.76	6.11	-169.69
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000355562	1	31	-2.0	-100.04	294.03	5.67	-94.37
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000355563	0	31	-2.0	-106.37	311.16	6.63	-99.74
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000355564	1	34	-2.0	-106.01	320.39	6.57	-99.44
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355565	1	34	-2.0	-110.62	302.73	6.22	-104.40
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000355567	0	34	-2.0	-112.98	307.18	6.93	-106.05
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000355568	1	34	-2.0	-100.32	333.21	6.97	-93.35
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000355569	1	31	-2.0	-106.39	298.02	6.07	-100.32
CC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000355570	0	34	-2.0	-105.80	333.18	7.12	-98.68
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000355571	1	36	-2.0	-108.35	321.78	5.94	-102.41
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000355574	1	31	-2.0	-100.32	303.91	6.12	-94.20
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355575	1	36	-2.0	-119.36	321.78	5.93	-113.43
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355577	0	37	-2.0	-122.81	326.54	6.95	-115.86
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000355578	1	40	-2.0	-104.33	357.95	7.14	-97.19
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=CC=C1C(=O)[O-]	REAL300000355579	0	31	-2.0	-107.92	309.62	6.57	-101.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1[N+](=O)[O-]	REAL300000355580	1	37	-2.0	-107.23	336.81	6.29	-100.94
CC1=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)N(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000355584	1	42	-2.0	-108.76	376.93	3.55	-105.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355585	0	37	-3.0	-182.08	337.91	5.92	-176.16
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355585	1	38	-2.0	-115.91	340.60	5.88	-110.03
CC1=CC(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000355586	0	38	-2.0	-105.43	343.73	7.40	-98.03
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000355587	0	31	-2.0	-110.95	304.91	6.86	-104.09
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CC=C1C(=O)[O-]	REAL300000355588	0	28	-2.0	-102.14	290.28	5.17	-96.97
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355590	0	35	-2.0	-116.82	309.57	5.34	-111.48
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=C1C(=O)[O-]	REAL300000355591	0	37	-2.0	-121.38	328.26	6.64	-114.74
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355592	0	42	-2.0	-116.19	365.75	4.23	-111.96
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=CC=C1C(=O)[O-]	REAL300000355593	0	31	-2.0	-103.83	299.36	5.74	-98.09
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000355594	1	31	-2.0	-102.61	318.85	6.69	-95.92
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000355595	0	31	-2.0	-111.06	294.44	6.11	-104.95
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=CC=C1C(=O)[O-]	REAL300000355596	1	31	-2.0	-106.35	302.59	6.17	-100.18
CC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355597	1	33	-2.0	-107.00	309.51	6.22	-100.78
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355598	1	36	-2.0	-107.21	325.01	7.00	-100.21
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355599	1	33	-2.0	-101.04	321.97	6.60	-94.44
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000355601	0	33	-2.0	-121.30	302.61	6.97	-114.33
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000355602	0	33	-3.0	-171.84	322.83	6.68	-165.16
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000355602	1	34	-2.0	-108.94	325.43	6.65	-102.29
CC1=CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355603	0	34	-2.0	-118.87	324.78	6.50	-112.37
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355603	1	33	-3.0	-171.31	322.28	6.50	-164.81
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=CC=C1C(=O)[O-]	REAL300000355606	0	31	-2.0	-106.87	297.29	5.79	-101.08
CC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300000355607	1	31	-2.0	-106.54	287.70	5.62	-100.92
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300000355608	1	31	-2.0	-101.90	298.20	5.80	-96.10
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=CC=C1C(=O)[O-]	REAL300000355613	1	31	-2.0	-103.44	298.05	6.07	-97.37
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=CC=C1C(=O)[O-]	REAL300000355614	1	31	-2.0	-103.30	302.61	6.17	-97.13
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000355615	1	33	-2.0	-98.32	309.54	6.22	-92.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000355617	0	31	-2.0	-108.82	295.13	5.35	-103.47
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300000355619	0	40	-2.0	-119.87	343.83	7.45	-112.42
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355620	0	35	-2.0	-109.84	326.29	5.86	-103.98
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355621	1	34	-2.0	-106.71	318.08	6.96	-99.75
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000355622	0	33	-2.0	-113.25	323.06	7.60	-105.65
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C(=O)[O-]	REAL300000355623	0	33	-3.0	-173.10	315.24	6.17	-166.93
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C(=O)[O-]	REAL300000355623	1	34	-2.0	-108.20	317.84	6.15	-102.05
CC1=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000355624	0	28	-2.0	-101.52	304.14	5.70	-95.82
CC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000355626	1	36	-2.0	-105.23	318.86	6.85	-98.38
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000355627	0	31	-2.0	-108.92	293.21	5.68	-103.24
CC1=CC(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000355628	0	40	-2.0	-100.54	355.84	7.69	-92.85
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000355628	1	39	-3.0	-161.43	353.35	7.70	-153.73
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=CC=C1C(=O)[O-]	REAL300000355630	1	35	-2.0	-105.69	317.04	2.37	-103.32
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C(=O)[O-]	REAL300000355637	0	30	-3.0	-168.57	302.95	5.13	-163.44
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=CC=C1C(=O)[O-]	REAL300000355638	1	34	-2.0	-105.24	313.05	3.05	-102.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355640	0	37	-2.0	-118.50	324.83	6.45	-112.05
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355641	0	37	-2.0	-107.87	318.92	4.63	-103.24
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355642	1	39	-2.0	-112.74	357.93	1.72	-111.02
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300000355643	1	39	-2.0	-107.08	342.31	7.58	-99.50
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000355645	1	37	-2.0	-104.76	336.08	6.21	-98.55
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000355646	1	38	-2.0	-109.03	337.75	3.83	-105.20
CC1=CC([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000355647	1	36	-2.0	-109.31	335.51	0.51	-108.80
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355651	0	40	-2.0	-118.69	353.43	7.24	-111.45
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000355652	1	35	-2.0	-108.96	315.82	2.33	-106.63
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC=C1C(=O)[O-]	REAL300000355655	1	37	-2.0	-112.42	327.26	7.84	-104.58
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=CS1	REAL300000355656	0	34	-2.0	-120.54	324.97	5.97	-114.57
CC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000355659	0	38	-2.0	-101.87	343.35	6.39	-95.48
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300000355661	1	42	-2.0	-112.39	369.60	9.78	-102.61
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC=C1C(=O)[O-]	REAL300000355664	0	31	-2.0	-113.93	286.80	5.61	-108.32
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)=CC=C1C(=O)[O-]	REAL300000355666	0	36	-2.0	-106.80	336.43	4.56	-102.24
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=CC=C1C(=O)[O-]	REAL300000355667	1	36	-2.0	-105.81	323.69	6.06	-99.75
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355668	0	37	-2.0	-122.40	334.14	4.13	-118.27
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)=C2N=C1	REAL300000355669	0	39	-2.0	-125.67	342.65	6.83	-118.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(Cl)=C1	REAL300000355671	1	34	-2.0	-110.70	315.85	6.78	-103.92
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=CC=C1C(=O)[O-]	REAL300000355672	0	35	-2.0	-112.04	326.07	5.82	-106.22
CC1=CC([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000355674	1	36	-2.0	-113.58	335.51	0.51	-113.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C([N+](=O)[O-])=C1	REAL300000355676	0	37	-2.0	-118.13	335.80	6.37	-111.76
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)=CC=C1C(=O)[O-]	REAL300000355677	1	37	-2.0	-106.06	337.84	2.54	-103.52
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000355678	1	38	-2.0	-103.72	346.92	4.81	-98.91
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)=CC=C1C(=O)[O-]	REAL300000355680	1	37	-2.0	-106.60	335.41	5.51	-101.09
CC1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000355681	1	35	-2.0	-104.25	327.31	5.34	-98.91
CC1=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000355682	1	37	-2.0	-113.17	342.03	3.07	-110.10
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000355684	1	39	-2.0	-108.88	357.94	1.72	-107.16
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000355685	1	41	-2.0	-112.98	351.51	9.43	-103.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000355686	0	31	-2.0	-104.50	304.91	6.29	-98.21
CC1=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=CC=C1C(=O)[O-]	REAL300000355687	1	43	-2.0	-116.09	367.22	4.89	-111.20
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(F)=C1	REAL300000355688	0	38	-2.0	-121.12	345.87	4.61	-116.51
CC1=CC([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000355689	1	37	-2.0	-116.95	342.03	3.07	-113.88
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)=CC=C1C(=O)[O-]	REAL300000355690	1	40	-2.0	-110.21	355.50	8.25	-101.96
CC1=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)N(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000355691	1	42	-2.0	-113.30	376.90	3.55	-109.75
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1OC	REAL300000355693	0	39	-2.0	-109.72	345.51	4.82	-104.90
CC1=CC(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355695	0	35	-2.0	-99.09	318.90	5.44	-93.65
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355695	1	34	-3.0	-173.33	316.42	5.46	-167.87
CC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=CC=C1C(=O)[O-]	REAL300000355696	0	31	-2.0	-116.41	299.81	5.07	-111.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(Br)=C1	REAL300000355697	1	34	-2.0	-110.15	319.20	6.92	-103.23
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000355698	0	36	-2.0	-107.70	323.62	1.70	-106.00
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CC=C1C(=O)[O-]	REAL300000355699	0	38	-2.0	-119.22	333.47	4.50	-114.72
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355700	0	37	-2.0	-112.37	349.15	6.77	-105.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000355703	1	35	-2.0	-105.88	317.04	4.92	-100.96
CC1=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000355708	1	47	-2.0	-114.96	390.11	8.76	-106.20
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)=CC=C1C(=O)[O-]	REAL300000355709	1	36	-2.0	-99.81	329.09	7.11	-92.70
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CN1C	REAL300000355711	0	39	-2.0	-108.14	345.32	3.20	-104.94
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355712	1	34	-2.0	-106.83	313.51	6.84	-99.99
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=N2)C=C1	REAL300000355714	0	41	-2.0	-108.57	367.35	7.46	-101.11
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)=CC=C1C(=O)[O-]	REAL300000355718	1	39	-2.0	-109.01	344.84	5.41	-103.60
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355719	0	33	-3.0	-164.02	318.89	5.79	-158.23
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000355720	1	32	-2.0	-99.67	317.52	6.35	-93.32
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000355721	1	32	-2.0	-100.38	317.57	6.35	-94.03
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC=C1C(=O)[O-]	REAL300000355722	0	40	-2.0	-118.67	343.13	7.43	-111.24
CC1=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000355723	1	35	-2.0	-114.41	319.67	5.92	-108.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C2=CC=CN=C12	REAL300000355724	1	40	-2.0	-111.84	346.61	5.34	-106.50
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=CC=C1C(=O)[O-]	REAL300000355726	0	31	-2.0	-110.56	302.98	6.11	-104.45
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Br)=CC=C1C(=O)[O-]	REAL300000355727	1	31	-2.0	-103.95	308.27	6.44	-97.51
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355729	0	37	-2.0	-104.11	337.78	6.01	-98.10
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C2=CC=CC=C12	REAL300000355730	1	41	-2.0	-115.31	350.67	7.21	-108.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000355731	1	34	-2.0	-106.87	308.04	6.26	-100.61
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000355733	0	31	-2.0	-102.95	321.65	7.36	-95.59
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355734	0	34	-2.0	-114.12	308.22	6.28	-107.84
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355735	1	34	-2.0	-107.00	303.19	6.40	-100.60
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000355737	0	36	-2.0	-122.85	314.91	7.80	-115.05
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)=CC=C1C(=O)[O-]	REAL300000355738	0	39	-2.0	-110.44	346.61	4.80	-105.64
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000355739	0	35	-2.0	-104.70	327.90	7.34	-97.36
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000355740	1	41	-2.0	-119.28	354.07	5.42	-113.86
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355742	0	39	-2.0	-125.88	342.57	6.84	-119.04
CC1=CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355745	0	31	-2.0	-98.37	303.90	5.14	-93.23
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355745	1	30	-3.0	-170.58	301.41	5.15	-165.43
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(C)=C2Cl)=CC=C1C(=O)[O-]	REAL300000355746	0	34	-2.0	-111.64	323.67	7.44	-104.20
COC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000355747	0	42	-2.0	-122.56	370.58	5.91	-116.65
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355748	1	40	-2.0	-117.37	357.49	3.85	-113.52
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000355749	0	33	-2.0	-99.77	326.74	6.90	-92.87
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=C1C(=O)[O-]	REAL300000355750	0	38	-2.0	-127.99	339.56	6.17	-121.82
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)=CC=C1C(=O)[O-]	REAL300000355751	1	39	-2.0	-110.57	331.19	6.93	-103.64
CC1=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=CC=C1C(=O)[O-]	REAL300000355753	0	28	-2.0	-107.90	293.60	5.11	-102.79
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000355755	1	44	-2.0	-117.93	384.72	5.35	-112.58
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000355756	0	33	-2.0	-114.54	308.98	7.04	-107.50
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355757	0	45	-2.0	-119.37	391.75	4.36	-115.01
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1C(=O)[O-]	REAL300000355758	0	44	-2.0	-119.25	365.99	8.29	-110.96
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1C(=O)[O-]	REAL300000355759	0	43	-2.0	-117.52	364.10	7.69	-109.83
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300000355760	1	41	-2.0	-110.04	355.50	8.96	-101.08
CC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000355761	0	33	-2.0	-116.92	314.70	6.93	-109.99
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355762	0	40	-2.0	-118.88	362.26	4.01	-114.87
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355763	1	42	-2.0	-119.01	372.04	5.21	-113.80
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)=CC=C1C(=O)[O-]	REAL300000355766	1	42	-2.0	-119.57	369.38	5.53	-114.04
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355767	0	35	-2.0	-112.83	312.49	3.91	-108.92
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355767	1	35	-2.0	-95.43	311.67	4.70	-90.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355768	0	40	-2.0	-117.85	342.48	7.31	-110.54
CC1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=CC=C1C(=O)[O-]	REAL300000355769	0	34	-2.0	-112.36	320.82	6.46	-105.90
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)N(C)C2=C3C=CC=C2)=CC=C1C(=O)[O-]	REAL300000355770	1	44	-2.0	-115.73	381.08	9.38	-106.35
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355771	0	40	-3.0	-183.95	360.20	6.67	-177.28
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355771	1	41	-2.0	-107.88	362.89	6.62	-101.26
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355772	0	36	-3.0	-180.36	340.65	6.67	-173.69
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355772	1	35	-4.0	-257.98	342.26	6.79	-251.19
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000355773	0	34	-2.0	-102.68	329.18	5.31	-97.37
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1C(=O)[O-]	REAL300000355774	0	41	-2.0	-120.49	355.24	8.01	-112.48
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(S(C)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000355775	1	37	-2.0	-111.96	346.40	3.09	-108.87
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C	REAL300000355776	0	39	-2.0	-120.71	341.83	8.22	-112.49
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=CC=C1C(=O)[O-]	REAL300000355777	1	35	-2.0	-102.15	319.07	5.93	-96.22
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=CC=C1C(=O)[O-]	REAL300000355778	0	31	-2.0	-106.99	296.22	5.91	-101.08
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000355779	0	41	-2.0	-116.73	377.42	4.47	-112.26
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000355780	0	41	-2.0	-107.63	374.81	4.52	-103.11
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C(C(=O)[O-])O1	REAL300000355781	0	33	-3.0	-167.52	312.77	5.25	-162.27
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=C(C(=O)[O-])O1	REAL300000355781	1	34	-2.0	-97.42	299.34	4.49	-92.93
CC1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=CC=C1C(=O)[O-]	REAL300000355782	0	34	-2.0	-129.83	309.50	4.76	-125.07
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355783	0	37	-2.0	-114.59	341.56	6.26	-108.33
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355784	0	41	-2.0	-118.52	352.83	6.93	-111.59
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000355786	1	47	-2.0	-107.90	391.06	7.20	-100.70
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000355788	0	33	-2.0	-121.23	314.99	7.72	-113.51
CC1=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=CC=C1C(=O)[O-]	REAL300000355789	1	36	-2.0	-119.98	329.57	5.73	-114.25
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C2=CC=CC=C12	REAL300000355790	1	44	-2.0	-114.83	372.53	8.15	-106.68
CC1=CC(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355791	0	40	-2.0	-103.95	354.44	5.88	-98.07
CC1=CC([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000355792	1	35	-2.0	-103.43	337.70	7.01	-96.42
CC1=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=CC=C1C(=O)[O-]	REAL300000355793	0	30	-2.0	-100.64	297.63	4.36	-96.28
CC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000355796	0	37	-2.0	-118.47	347.50	3.13	-115.34
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000355797	0	33	-2.0	-125.08	307.12	7.18	-117.90
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355798	0	37	-3.0	-178.99	342.83	5.31	-173.68
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355798	1	38	-2.0	-101.42	340.87	5.26	-96.16
CC1=CC(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=CC=C1C(=O)[O-]	REAL300000355799	0	42	-2.0	-109.93	365.90	6.71	-103.22
CC1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000355800	0	38	-2.0	-107.66	341.88	6.67	-100.99
CC1=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000355801	0	41	-2.0	-108.74	371.36	7.23	-101.51
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000355803	0	33	-3.0	-167.71	327.36	6.71	-161.00
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000355803	1	34	-2.0	-109.37	329.96	6.67	-102.70
CC1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300000355804	0	30	-2.0	-100.44	282.71	3.83	-96.61
CC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000355805	0	38	-2.0	-103.74	359.37	6.93	-96.81
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000355806	0	31	-2.0	-108.69	308.09	6.24	-102.45
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)=CC=C1C(=O)[O-]	REAL300000355808	1	41	-2.0	-107.02	361.54	6.47	-100.55
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355809	0	34	-2.0	-108.08	329.34	5.22	-102.86
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355810	1	39	-2.0	-106.41	339.77	7.95	-98.46
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=CC=C1C(=O)[O-]	REAL300000355811	1	36	-2.0	-111.04	317.47	5.98	-105.06
CC1=CC([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)=CC=C1C(=O)[O-]	REAL300000355812	0	37	-2.0	-110.23	354.13	6.31	-103.92
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=CC=C1C(=O)[O-]	REAL300000355813	0	30	-2.0	-101.50	306.44	4.68	-96.82
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1OCC(=O)[O-]	REAL300000355814	0	41	-2.0	-101.13	363.41	7.09	-94.04
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C12	REAL300000355816	1	39	-2.0	-105.25	351.70	5.40	-99.85
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C12	REAL300000355817	0	35	-2.0	-101.25	325.14	2.64	-98.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=CC=C1C(=O)[O-]	REAL300000355818	0	31	-2.0	-99.14	297.27	4.07	-95.07
CC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=CC=C1C(=O)[O-]	REAL300000355820	0	31	-2.0	-111.38	293.09	5.67	-105.71
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(F)=C1	REAL300000355821	0	35	-2.0	-112.27	319.30	5.14	-107.13
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355822	0	37	-2.0	-117.55	343.26	7.47	-110.08
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000355823	0	33	-2.0	-114.56	319.33	7.49	-107.07
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C(=O)[O-]	REAL300000355824	0	37	-2.0	-110.69	332.10	6.95	-103.74
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C(=O)[O-]	REAL300000355824	1	36	-3.0	-166.65	330.48	6.93	-159.72
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=CC=C1C(=O)[O-]	REAL300000355825	0	37	-2.0	-115.38	324.44	5.20	-110.18
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CN1C	REAL300000355826	0	34	-2.0	-118.22	304.83	4.45	-113.77
CC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000355827	0	38	-2.0	-106.31	349.56	6.45	-99.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000355827	1	37	-3.0	-159.33	347.08	6.46	-152.87
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000355828	0	35	-2.0	-112.13	319.32	5.60	-106.53
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355829	1	40	-2.0	-112.70	357.97	7.13	-105.57
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000355830	0	34	-2.0	-106.76	307.38	4.12	-102.64
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000355831	1	43	-2.0	-103.89	379.44	7.93	-95.96
CC1=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C(=O)NC(=O)N3C)=CC=C1C(=O)[O-]	REAL300000355832	0	39	-2.0	-101.24	350.65	3.02	-98.22
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355833	1	38	-2.0	-111.76	336.36	5.27	-106.49
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355834	0	37	-2.0	-117.58	332.93	7.02	-110.56
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=CC=C1C(=O)[O-]	REAL300000355835	0	39	-2.0	-117.22	344.30	6.09	-111.13
CC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000355836	0	34	-2.0	-108.16	325.55	6.61	-101.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000355837	0	34	-2.0	-104.66	313.57	7.00	-97.66
CC1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=CC=C1C(=O)[O-]	REAL300000355838	0	31	-2.0	-108.06	313.39	5.65	-102.41
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=C1C(=O)[O-]	REAL300000355839	0	41	-2.0	-128.67	361.41	7.08	-121.59
CC1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=CC=C1C(=O)[O-]	REAL300000355840	1	36	-2.0	-109.44	321.35	4.96	-104.48
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1F	REAL300000355841	1	40	-2.0	-102.42	362.52	7.15	-95.27
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000355842	0	31	-2.0	-106.42	300.83	6.18	-100.24
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C2)=CO1	REAL300000355843	1	40	-2.0	-112.22	357.71	4.61	-107.61
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000355846	1	35	-2.0	-103.33	325.59	2.40	-100.93
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355847	1	35	-2.0	-111.66	310.81	4.85	-106.81
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000355849	0	37	-2.0	-112.80	342.91	3.77	-109.03
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000355849	1	36	-3.0	-169.48	340.90	2.58	-166.90
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C(F)C=C1F	REAL300000355854	0	37	-2.0	-102.71	346.10	6.30	-96.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(F)=C1	REAL300000355855	0	34	-2.0	-113.46	308.22	6.29	-107.17
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1Cl	REAL300000355856	0	35	-2.0	-105.30	339.92	5.97	-99.33
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)O1	REAL300000355858	0	34	-2.0	-102.89	320.85	4.35	-98.54
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000355859	0	36	-2.0	-125.73	321.26	6.18	-119.55
CC1=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=CC=C1C(=O)[O-]	REAL300000355860	0	37	-2.0	-115.12	351.81	6.36	-108.76
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=CC=C1C(=O)[O-]	REAL300000355861	0	31	-2.0	-100.94	299.49	5.73	-95.21
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355862	1	43	-2.0	-112.10	369.02	4.44	-107.66
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=C(C(=O)[O-])S1	REAL300000355863	0	34	-2.0	-116.03	321.26	6.00	-110.03
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C(C(=O)[O-])S1	REAL300000355863	1	33	-3.0	-172.41	318.37	6.01	-166.40
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000355864	1	40	-2.0	-111.73	345.66	6.88	-104.85
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355865	0	35	-2.0	-111.70	323.90	5.41	-106.29
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CN=C1Cl	REAL300000355866	0	33	-2.0	-100.92	311.96	4.78	-96.14
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355867	0	37	-2.0	-117.25	339.45	3.13	-114.12
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000355869	1	40	-2.0	-115.48	358.27	7.00	-108.48
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C21	REAL300000355872	1	42	-2.0	-130.91	361.80	6.67	-124.24
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355873	0	43	-2.0	-109.94	364.58	6.28	-103.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)SC=C1	REAL300000355874	0	31	-2.0	-110.50	292.03	5.19	-105.31
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355875	1	37	-2.0	-107.94	356.90	6.83	-101.11
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000355876	0	40	-2.0	-109.39	344.82	5.60	-103.79
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C	REAL300000355877	1	40	-2.0	-104.99	352.13	6.74	-98.25
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)=CC=C1C(=O)[O-]	REAL300000355878	1	36	-2.0	-98.81	325.32	6.73	-92.08
CC1=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000355880	1	39	-2.0	-121.57	340.90	4.00	-117.57
CC1=CC([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000355881	1	40	-2.0	-123.86	366.35	3.76	-120.10
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355882	1	35	-2.0	-107.06	317.57	6.73	-100.33
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000355884	0	36	-2.0	-107.61	333.87	6.93	-100.68
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000355885	1	43	-2.0	-109.13	333.33	8.14	-100.99
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C21	REAL300000355888	1	45	-2.0	-131.29	373.78	7.16	-124.13
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355889	0	35	-2.0	-111.33	318.94	6.01	-105.32
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)=CC=C1C(=O)[O-]	REAL300000355890	1	35	-2.0	-102.83	317.55	6.71	-96.12
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=CC=C1C(=O)[O-]	REAL300000355894	0	32	-2.0	-106.79	311.68	6.12	-100.67
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000355895	0	34	-2.0	-113.46	319.91	7.58	-105.88
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C2O1	REAL300000355896	1	36	-2.0	-107.13	324.95	3.21	-103.92
CC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000355897	0	37	-2.0	-106.59	326.08	4.64	-101.95
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)=CC=C1C(=O)[O-]	REAL300000355898	0	36	-2.0	-111.81	320.41	1.89	-109.92
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000355900	0	37	-2.0	-112.25	340.65	4.32	-107.93
CC1=CC([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=CC=C1C(=O)[O-]	REAL300000355901	0	37	-2.0	-115.30	325.11	4.01	-111.29
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000355902	0	34	-2.0	-112.92	327.08	7.47	-105.45
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C1=CC=CC=N1	REAL300000355903	0	40	-2.0	-111.75	353.49	6.93	-104.82
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)=CC=C1C(=O)[O-]	REAL300000355905	0	35	-2.0	-106.98	338.11	6.85	-100.13
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000355906	1	31	-2.0	-94.94	300.30	5.73	-89.21
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000355907	1	42	-2.0	-107.05	363.92	7.39	-99.66
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CN1C	REAL300000355909	0	38	-2.0	-112.27	342.48	5.66	-106.61
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000355911	0	34	-2.0	-99.40	323.31	6.23	-93.17
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000355911	1	33	-3.0	-160.88	326.90	6.78	-154.10
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000355912	0	34	-2.0	-103.48	316.79	6.14	-97.34
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000355912	1	33	-3.0	-160.19	314.29	6.15	-154.04
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)=CC=C1C(=O)[O-]	REAL300000355913	1	39	-2.0	-103.03	347.58	4.96	-98.07
CC1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=CC=C1C(=O)[O-]	REAL300000355914	0	38	-2.0	-112.02	350.34	6.94	-105.08
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000355915	0	31	-2.0	-108.66	315.49	5.92	-102.74
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000355916	1	31	-2.0	-100.51	308.33	6.22	-94.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(Cl)=C1Cl	REAL300000355920	1	35	-2.0	-107.33	338.38	5.92	-101.41
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000355921	0	42	-2.0	-113.57	373.13	6.42	-107.15
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=CC=C1C(=O)[O-]	REAL300000355922	0	34	-2.0	-103.78	326.13	3.62	-100.16
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C(=O)[O-]	REAL300000355923	0	30	-3.0	-162.70	302.03	5.24	-157.46
CC1=CC([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=CC=C1C(=O)[O-]	REAL300000355924	0	40	-2.0	-117.50	346.02	6.80	-110.70
CC1=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355925	0	34	-2.0	-95.29	318.65	6.17	-89.12
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355925	1	33	-3.0	-165.85	316.17	6.17	-159.68
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1C(=O)[O-]	REAL300000355926	0	36	-3.0	-174.59	335.54	6.81	-167.78
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1C(=O)[O-]	REAL300000355926	1	37	-2.0	-95.57	328.68	6.39	-89.18
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000355927	1	45	-2.0	-106.50	374.09	7.59	-98.91
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000355928	0	37	-3.0	-163.67	350.07	6.74	-156.93
COC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000355928	1	38	-2.0	-103.45	352.72	6.70	-96.75
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CN1	REAL300000355929	0	35	-2.0	-109.79	324.71	3.90	-105.89
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C(=O)[O-]	REAL300000355930	0	33	-3.0	-162.25	319.31	6.29	-155.96
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C(=O)[O-]	REAL300000355930	1	34	-2.0	-103.03	308.37	5.76	-97.27
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000355931	0	34	-2.0	-100.53	324.76	6.51	-94.02
CC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C)=CC=C1C(=O)[O-]	REAL300000355932	1	34	-2.0	-106.31	301.68	6.38	-99.93
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1C	REAL300000355934	1	40	-2.0	-106.93	351.95	6.73	-100.20
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CS1	REAL300000355935	0	34	-2.0	-108.59	328.57	5.23	-103.36
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1F	REAL300000355936	1	37	-2.0	-102.29	340.66	6.23	-96.06
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000355937	0	33	-2.0	-105.52	305.57	4.15	-101.37
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=CC=C1C(=O)[O-]	REAL300000355938	1	35	-2.0	-115.51	323.57	6.72	-108.79
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)=CC=C1C(=O)[O-]	REAL300000355939	1	39	-2.0	-97.95	339.67	7.85	-90.10
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1[O-]	REAL300000355940	1	39	-2.0	-101.64	346.20	2.46	-99.18
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1C(=O)[O-]	REAL300000355943	0	37	-2.0	-111.65	340.81	7.33	-104.32
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1C(=O)[O-]	REAL300000355943	1	36	-3.0	-168.63	339.21	7.32	-161.31
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355944	1	37	-2.0	-106.46	335.52	7.33	-99.13
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355945	0	31	-2.0	-104.45	318.58	5.98	-98.47
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355946	1	37	-2.0	-110.92	324.18	6.98	-103.94
CC1=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000355947	0	34	-2.0	-106.14	336.94	7.49	-98.65
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355948	1	34	-2.0	-106.48	309.11	6.28	-100.20
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000355949	0	42	-2.0	-103.55	376.00	7.52	-96.03
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000355949	1	41	-3.0	-158.59	373.51	7.52	-151.07
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355950	0	37	-2.0	-103.88	339.19	5.02	-98.86
CC1=CC(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355952	0	34	-2.0	-115.06	323.07	6.20	-108.86
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355952	1	33	-3.0	-164.80	324.68	6.31	-158.49
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355953	0	36	-2.0	-108.63	340.44	6.77	-101.86
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355953	1	35	-3.0	-161.31	342.04	6.89	-154.42
CC1=CC([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=CC=C1C(=O)[O-]	REAL300000355954	0	34	-2.0	-110.81	334.64	7.43	-103.38
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355955	0	41	-2.0	-119.33	364.24	6.00	-113.33
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355956	1	43	-2.0	-113.99	368.77	7.55	-106.44
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C(F)C=C1F	REAL300000355958	0	34	-2.0	-105.52	313.51	6.31	-99.21
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000355959	0	37	-2.0	-117.71	333.11	8.63	-109.08
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000355960	1	37	-2.0	-118.12	322.35	7.87	-110.25
CC1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=CC=C1C(=O)[O-]	REAL300000355961	0	33	-2.0	-108.06	317.38	5.15	-102.91
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000355962	0	36	-2.0	-105.66	341.50	7.42	-98.24
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000355963	1	35	-2.0	-99.33	337.94	6.73	-92.60
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000355964	0	38	-2.0	-110.72	359.15	4.64	-106.08
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2C)=CC=C1C(=O)[O-]	REAL300000355965	1	34	-2.0	-106.29	314.46	6.87	-99.42
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C(=O)[O-]	REAL300000355966	0	34	-3.0	-175.88	319.47	3.81	-172.07
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300000355966	1	34	-3.0	-175.21	318.52	4.69	-170.52
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355968	0	36	-2.0	-108.20	345.42	4.93	-103.27
CC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000355969	0	37	-2.0	-101.05	334.45	6.89	-94.16
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000355969	1	36	-3.0	-167.03	331.95	6.89	-160.14
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1Cl	REAL300000355970	1	38	-2.0	-109.82	351.99	5.08	-104.74
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)O1	REAL300000355971	0	37	-2.0	-102.99	342.71	5.27	-97.72
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355972	0	33	-2.0	-98.90	315.92	6.29	-92.61
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355973	0	36	-2.0	-119.10	334.85	6.51	-112.59
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)=CC=C1C(=O)[O-]	REAL300000355974	1	43	-2.0	-108.63	372.01	7.10	-101.53
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2C)=CC=C1C(=O)[O-]	REAL300000355975	1	36	-2.0	-101.60	337.04	7.39	-94.21
CC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)=CC=C1C(=O)[O-]	REAL300000355976	0	34	-2.0	-116.92	324.03	6.27	-110.65
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)SC=C1	REAL300000355977	0	32	-2.0	-117.81	303.46	3.85	-113.96
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355978	1	40	-2.0	-116.05	363.49	3.97	-112.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)OC2=CC=C(F)C=C12	REAL300000355979	0	37	-2.0	-107.47	336.30	6.75	-100.72
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CC=C1C(=O)[O-]	REAL300000355980	0	34	-2.0	-110.65	311.06	5.94	-104.71
CC1=CC([N-]S(=O)(=O)C2=C3N=C(C)C=CC3=CC=C2)=CC=C1C(=O)[O-]	REAL300000355981	0	39	-2.0	-127.48	342.82	6.79	-120.69
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C2=CC(Cl)=CC=C2S1	REAL300000355982	0	37	-2.0	-110.63	348.99	8.46	-102.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C(Br)S1	REAL300000355984	1	31	-2.0	-102.98	311.21	6.06	-96.92
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000355985	1	37	-2.0	-109.72	336.71	8.28	-101.44
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CC(F)=C1F	REAL300000355986	1	37	-2.0	-98.82	351.00	6.40	-92.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)SC2=CC=CC(F)=C12	REAL300000355987	0	37	-2.0	-113.16	341.26	7.60	-105.56
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000355988	1	32	-2.0	-102.07	327.50	6.67	-95.40
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)=CC=C1C(=O)[O-]	REAL300000355989	0	36	-2.0	-107.52	335.35	6.93	-100.59
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000355990	0	33	-2.0	-113.88	314.54	4.31	-109.57
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=NC2=C1Cl	REAL300000355992	0	36	-2.0	-100.35	346.38	5.63	-94.72
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)=CC=C1C(=O)[O-]	REAL300000355993	0	31	-2.0	-113.51	300.93	6.49	-107.02
CC1=CC([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)=CC=C1C(=O)[O-]	REAL300000355994	1	33	-2.0	-101.92	329.56	5.46	-96.46
CC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=CC=C1C(=O)[O-]	REAL300000355995	0	31	-2.0	-99.13	297.32	4.46	-94.67
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=CC=C1C(=O)[O-]	REAL300000355996	0	31	-2.0	-112.64	301.65	4.37	-108.27
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000355997	1	39	-2.0	-113.70	344.37	4.27	-109.43
CC1=CC(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355998	0	34	-2.0	-115.25	332.95	6.63	-108.62
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000355998	1	33	-3.0	-166.66	334.56	6.75	-159.91
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=CC=C1C(=O)[O-]	REAL300000355999	0	32	-2.0	-113.62	297.14	4.29	-109.33
CC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300000356000	0	39	-2.0	-122.70	331.72	8.39	-114.31
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)S2)=CS1	REAL300000356001	0	37	-2.0	-108.43	360.74	6.10	-102.33
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=CC=C1C(=O)[O-]	REAL300000356002	0	32	-2.0	-100.70	303.53	3.39	-97.31
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000356003	0	30	-2.0	-105.27	289.84	3.39	-101.88
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Cl	REAL300000356004	1	37	-2.0	-102.30	348.64	6.59	-95.71
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)=CC=C1C(=O)[O-]	REAL300000356005	1	36	-2.0	-100.81	329.10	7.04	-93.77
CC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000356006	0	37	-2.0	-98.80	321.22	6.76	-92.04
CC1=CC([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000356008	1	38	-2.0	-127.20	345.90	3.42	-123.78
CC1=CC(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356009	0	37	-2.0	-99.70	337.08	6.75	-92.95
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1C(=O)[O-]	REAL300000356010	0	37	-2.0	-105.13	326.94	6.91	-98.22
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356011	0	37	-2.0	-115.02	340.22	6.66	-108.36
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)=CC=C1C(=O)[O-]	REAL300000356013	0	32	-2.0	-106.75	310.61	6.23	-100.52
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C(C)N1	REAL300000356014	1	44	-2.0	-108.97	377.22	6.23	-102.74
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000356015	0	34	-2.0	-108.66	313.52	6.32	-102.34
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1[N+](=O)[O-]	REAL300000356016	0	37	-2.0	-98.80	336.84	6.29	-92.51
CC1=CC(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356017	0	40	-2.0	-121.37	344.94	7.17	-114.20
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=CC=C1C(=O)[O-]	REAL300000356018	1	37	-2.0	-119.07	339.04	8.37	-110.70
CC1=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000356019	0	37	-2.0	-108.27	346.42	3.09	-105.18
CC1=CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356020	0	36	-2.0	-103.77	338.77	7.16	-96.61
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356020	1	35	-3.0	-172.35	336.05	7.14	-165.21
CC1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000356021	0	34	-2.0	-106.16	326.63	7.05	-99.11
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1C(=O)[O-]	REAL300000356023	0	33	-3.0	-165.45	325.60	6.35	-159.10
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356024	1	36	-2.0	-99.72	334.34	6.87	-92.85
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356025	0	37	-2.0	-115.80	347.34	7.57	-108.23
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=CC=C1C(=O)[O-]	REAL300000356026	0	30	-2.0	-106.75	300.31	5.00	-101.75
CC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=CC=C1C(=O)[O-]	REAL300000356027	0	37	-2.0	-116.53	326.91	5.93	-110.60
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000356028	0	36	-2.0	-100.94	332.05	4.38	-96.56
CC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000356029	0	30	-2.0	-99.13	306.73	4.74	-94.39
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000356030	0	40	-2.0	-102.54	345.25	7.51	-95.03
CC1=CC([N-]S(=O)(=O)C2=CC=C3C4=C(C=CC=C42)C(=O)N3C)=CC=C1C(=O)[O-]	REAL300000356031	1	42	-2.0	-109.85	367.07	7.48	-102.37
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000356032	0	36	-3.0	-175.65	335.37	6.81	-168.84
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000356032	1	37	-2.0	-108.00	334.11	6.64	-101.36
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1C(=O)[O-]	REAL300000356033	0	36	-3.0	-173.69	341.51	7.25	-166.44
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1C(=O)[O-]	REAL300000356033	1	37	-2.0	-110.20	342.02	6.78	-103.42
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356034	0	36	-3.0	-181.03	334.80	6.80	-174.23
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356034	1	37	-2.0	-127.21	327.98	6.39	-120.82
CC1=CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=CC=C1C(=O)[O-]	REAL300000356035	0	31	-2.0	-97.43	308.54	6.03	-91.40
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356036	1	39	-2.0	-119.77	344.40	6.82	-112.95
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000356037	0	38	-2.0	-105.04	341.05	3.16	-101.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C([N+](=O)[O-])=N1	REAL300000356038	0	36	-2.0	-113.86	331.61	6.39	-107.47
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)=CC=C1C(=O)[O-]	REAL300000356039	0	31	-2.0	-105.69	304.18	6.31	-99.38
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2Br)=CC=C1C(=O)[O-]	REAL300000356040	0	34	-2.0	-111.30	316.01	6.83	-104.47
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=C1C(=O)[O-]	REAL300000356041	0	40	-2.0	-121.32	346.37	7.28	-114.04
CC1=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000356042	0	42	-2.0	-108.20	362.54	4.20	-104.00
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)=CC=C1C(=O)[O-]	REAL300000356045	0	35	-2.0	-118.01	318.56	6.35	-111.66
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000356046	0	34	-2.0	-102.15	333.18	7.11	-95.04
CC1=CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)=CC=C1C(=O)[O-]	REAL300000356047	0	37	-2.0	-103.71	332.12	6.03	-97.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=CC=C1C(=O)[O-]	REAL300000356048	0	40	-2.0	-109.09	354.30	7.19	-101.90
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356049	0	37	-2.0	-116.71	328.79	6.30	-110.41
CC1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=CC=C1C(=O)[O-]	REAL300000356050	0	39	-2.0	-106.45	343.43	3.41	-103.04
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356052	0	39	-2.0	-109.62	358.81	7.73	-101.89
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=CC=C1C(=O)[O-]	REAL300000356053	0	34	-2.0	-114.83	307.12	6.26	-108.57
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000356054	1	37	-2.0	-102.74	330.36	3.17	-99.57
CC1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=CC=C1C(=O)[O-]	REAL300000356055	0	38	-2.0	-119.17	327.25	5.58	-113.59
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=C1CC(=O)[O-]	REAL300000356056	0	41	-2.0	-115.78	362.73	6.24	-109.54
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000356057	1	38	-2.0	-109.72	336.39	5.28	-104.44
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356058	0	36	-2.0	-113.55	320.56	2.53	-111.02
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)=CC=C1C(=O)[O-]	REAL300000356059	0	34	-2.0	-111.88	313.18	6.69	-105.19
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C(C)O1	REAL300000356060	0	34	-2.0	-107.60	304.28	5.13	-102.47
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=CC=C1C(=O)[O-]	REAL300000356061	0	37	-2.0	-114.34	327.56	3.21	-111.13
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C2)CC1	REAL300000356063	1	44	-2.0	-110.01	379.65	8.18	-101.83
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356064	1	40	-2.0	-107.07	368.44	7.31	-99.76
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356065	1	38	-2.0	-108.64	327.90	5.59	-103.05
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C(C(=O)OC)O1	REAL300000356066	0	40	-2.0	-104.23	358.30	5.97	-98.26
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356068	0	34	-2.0	-109.64	314.27	5.94	-103.70
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000356070	0	39	-2.0	-125.29	334.77	7.35	-117.94
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=CC=C1C(=O)[O-]	REAL300000356071	0	37	-2.0	-119.85	330.61	7.57	-112.28
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C2=CC=CC=C12	REAL300000356072	1	44	-2.0	-124.99	374.25	6.88	-118.11
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000356073	1	37	-2.0	-100.65	349.93	3.64	-97.01
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356074	0	37	-2.0	-115.12	337.02	7.13	-107.99
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000356075	0	33	-2.0	-96.56	314.05	6.24	-90.32
CC1=CC(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000356076	0	37	-2.0	-95.28	337.94	7.27	-88.01
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000356076	1	36	-3.0	-165.04	335.82	7.28	-157.76
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000356077	1	31	-2.0	-102.29	308.54	6.25	-96.04
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C(C)O1	REAL300000356078	0	37	-2.0	-104.17	339.17	5.11	-99.06
CC1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000356079	0	30	-2.0	-100.64	293.06	4.25	-96.39
CC1=CC(NS(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356080	0	37	-2.0	-96.91	343.47	7.06	-89.85
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356080	1	36	-3.0	-173.11	340.98	7.07	-166.04
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)N=C1C	REAL300000356081	0	37	-2.0	-119.47	330.93	5.47	-114.00
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356082	0	34	-2.0	-110.71	319.20	6.92	-103.79
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356083	0	34	-2.0	-111.34	315.85	6.78	-104.56
CCN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=C1C(=O)[O-]	REAL300000356084	0	38	-2.0	-99.64	340.28	6.30	-93.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C(=O)[O-]	REAL300000356084	1	37	-3.0	-174.76	337.78	6.33	-168.43
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356085	0	34	-2.0	-107.14	321.19	4.29	-102.85
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356086	0	43	-2.0	-110.71	361.53	6.25	-104.46
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CN1C	REAL300000356087	0	41	-2.0	-111.84	364.35	6.58	-105.26
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356088	1	39	-2.0	-105.45	347.51	7.71	-97.74
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000356089	0	31	-2.0	-114.13	297.35	6.35	-107.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(Cl)=N1	REAL300000356090	0	33	-2.0	-108.32	311.20	4.87	-103.45
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356091	0	36	-2.0	-108.63	330.35	5.75	-102.88
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000356092	0	38	-2.0	-109.99	346.43	6.75	-103.24
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1Cl	REAL300000356093	1	35	-2.0	-105.90	336.53	7.02	-98.88
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000356094	0	33	-2.0	-104.88	311.31	4.13	-100.75
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C12	REAL300000356095	0	38	-2.0	-100.64	346.62	3.38	-97.26
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000356096	0	33	-2.0	-105.21	324.68	6.04	-99.17
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CN=C1Cl	REAL300000356098	0	34	-2.0	-98.98	322.15	3.51	-95.47
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C21	REAL300000356099	1	40	-2.0	-106.49	357.22	6.51	-99.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000356101	0	33	-2.0	-98.84	316.03	4.80	-94.04
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356102	1	37	-2.0	-107.49	346.58	6.38	-101.11
CC1=CC(NS(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000356103	0	46	-2.0	-99.50	373.74	8.77	-90.73
CC1=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=CC=C1C(=O)[O-]	REAL300000356104	1	34	-2.0	-106.92	326.69	2.78	-104.14
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356105	0	46	-2.0	-109.83	378.20	6.67	-103.16
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000356107	0	32	-2.0	-104.37	319.27	6.62	-97.75
CC1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CC=C1C(=O)[O-]	REAL300000356108	0	34	-2.0	-118.06	309.24	5.87	-112.19
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356109	0	36	-2.0	-105.55	331.26	4.41	-101.14
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356110	0	42	-2.0	-118.64	371.44	5.66	-112.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=CC=C1C(=O)[O-]	REAL300000356111	0	28	-2.0	-102.69	285.69	4.28	-98.41
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C(C2=CC=CC=C2)S1	REAL300000356112	0	40	-2.0	-116.56	362.58	7.12	-109.44
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C(C2=CC=CC=C2)O1	REAL300000356113	0	40	-2.0	-118.80	357.92	4.52	-114.28
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)=CC=C1C(=O)[O-]	REAL300000356114	1	39	-2.0	-108.55	340.75	7.53	-101.02
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356115	1	41	-2.0	-116.78	344.84	7.30	-109.48
CC1=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=CC=C1C(=O)[O-]	REAL300000356116	0	31	-2.0	-106.18	302.38	5.96	-100.22
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356120	1	43	-2.0	-113.14	373.39	7.91	-105.23
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=CC=C1C(=O)[O-]	REAL300000356121	0	31	-2.0	-101.88	316.47	6.66	-95.22
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356122	0	31	-2.0	-104.10	314.36	5.88	-98.22
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(OC)=C1	REAL300000356123	0	41	-2.0	-110.74	364.29	6.01	-104.73
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000356124	1	34	-2.0	-109.28	313.48	6.42	-102.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=CC=C1C(=O)[O-]	REAL300000356125	0	34	-2.0	-104.39	325.55	6.61	-97.78
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356126	1	34	-2.0	-106.53	324.00	6.83	-99.70
CC1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000356127	0	34	-2.0	-105.96	319.23	4.44	-101.52
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356128	1	35	-2.0	-116.56	317.39	6.62	-109.94
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(C)C)=CC=C1C(=O)[O-]	REAL300000356129	0	42	-2.0	-130.60	364.53	5.41	-125.19
CC1=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=CC=C1C(=O)[O-]	REAL300000356130	1	34	-2.0	-110.35	326.69	2.78	-107.57
CC1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000356132	0	39	-2.0	-103.45	350.76	6.84	-96.61
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(C)=CS1	REAL300000356134	0	37	-2.0	-118.69	336.45	6.75	-111.94
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1F	REAL300000356135	1	35	-2.0	-102.43	317.04	4.92	-97.51
CC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=CC=C1C(=O)[O-]	REAL300000356136	0	30	-2.0	-115.64	294.00	5.95	-109.69
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356137	0	39	-2.0	-116.80	354.72	7.62	-109.18
CC1=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=CC=C1C(=O)[O-]	REAL300000356138	1	36	-2.0	-104.10	325.67	4.69	-99.41
CC1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356139	0	30	-2.0	-100.52	302.46	5.31	-95.21
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000356142	1	34	-2.0	-100.39	336.76	7.06	-93.33
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356143	0	42	-2.0	-114.59	354.92	4.50	-110.09
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1[N+](=O)[O-]	REAL300000356144	1	37	-2.0	-99.16	348.87	6.49	-92.67
CC1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CC=C1C(=O)[O-]	REAL300000356145	0	35	-2.0	-110.63	309.28	4.99	-105.64
CC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000356146	0	32	-2.0	-106.71	315.20	6.51	-100.20
CC1=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000356147	0	34	-2.0	-106.91	325.26	4.62	-102.29
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356149	0	39	-2.0	-123.25	335.28	6.06	-117.19
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2F)=CC=C1C(=O)[O-]	REAL300000356151	0	34	-2.0	-114.43	300.85	6.52	-107.91
CC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=CC=C1C(=O)[O-]	REAL300000356153	0	35	-2.0	-122.39	319.68	5.63	-116.76
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356154	0	44	-2.0	-109.39	376.49	7.17	-102.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)=CC=C1C(=O)[O-]	REAL300000356155	0	31	-2.0	-107.45	312.18	6.35	-101.10
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)=CC=C1C(=O)[O-]	REAL300000356156	0	39	-2.0	-125.54	339.18	6.74	-118.80
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000356158	1	35	-2.0	-114.07	336.63	2.95	-111.12
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=CC=C1C(=O)[O-]	REAL300000356159	0	32	-2.0	-115.97	306.08	3.86	-112.11
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356160	0	34	-2.0	-106.03	305.90	3.03	-103.00
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)=CC=C1C(=O)[O-]	REAL300000356161	0	31	-2.0	-110.23	307.39	6.22	-104.01
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1OC	REAL300000356162	1	41	-2.0	-105.51	363.40	6.26	-99.25
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356164	0	41	-2.0	-122.55	370.26	2.86	-119.69
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356166	0	37	-2.0	-107.98	331.48	6.76	-101.22
CC1=CC(NS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356167	0	37	-2.0	-115.56	346.20	7.18	-108.38
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000356168	1	41	-2.0	-109.03	352.49	5.37	-103.66
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356169	0	40	-2.0	-123.52	348.41	7.88	-115.64
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356170	0	39	-2.0	-112.46	338.37	3.87	-108.59
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=CC=C1C(=O)[O-]	REAL300000356171	0	37	-2.0	-117.86	342.49	7.10	-110.76
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000356173	0	34	-2.0	-112.43	326.27	3.04	-109.39
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000356173	1	33	-3.0	-167.78	322.96	1.92	-165.86
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000356174	1	38	-2.0	-109.12	342.61	4.57	-104.55
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1OC	REAL300000356175	0	39	-2.0	-107.59	353.11	5.32	-102.27
CC1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000356176	1	35	-2.0	-105.07	326.80	5.20	-99.87
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000356177	1	34	-2.0	-99.01	325.64	6.61	-92.40
CC1=CC(NS(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356178	0	43	-2.0	-110.26	361.54	7.43	-102.83
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356178	1	42	-3.0	-173.36	359.29	8.19	-165.17
CC1=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)=CC=C1C(=O)[O-]	REAL300000356179	0	36	-2.0	-111.01	338.07	1.17	-109.84
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=CC=C1C(=O)[O-]	REAL300000356180	1	35	-2.0	-112.67	314.14	6.82	-105.85
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C	REAL300000356181	1	42	-2.0	-110.37	373.50	2.51	-107.86
CC1=CC([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=CC=C1C(=O)[O-]	REAL300000356182	1	35	-2.0	-115.46	323.58	6.71	-108.75
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000356183	0	31	-2.0	-105.20	315.24	6.74	-98.46
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(N)=NO1	REAL300000356185	0	32	-2.0	-99.07	287.73	2.94	-96.13
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1)OCC(=O)N2	REAL300000356186	0	41	-2.0	-113.24	360.27	2.58	-110.66
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000356187	0	31	-2.0	-102.15	311.33	6.93	-95.22
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356188	0	35	-2.0	-112.97	326.29	5.86	-107.11
CC1=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000356189	1	32	-2.0	-104.83	308.79	4.33	-100.50
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356192	1	38	-2.0	-112.12	326.27	5.63	-106.49
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Br)=C2)=CC=C1C(=O)[O-]	REAL300000356193	1	32	-2.0	-99.70	321.81	6.45	-93.25
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)=CC=C1C(=O)[O-]	REAL300000356195	0	33	-2.0	-102.21	335.28	6.90	-95.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=CC=C1C(=O)[O-]	REAL300000356196	0	29	-2.0	-100.47	293.81	5.10	-95.37
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)=CC=C1C(=O)[O-]	REAL300000356197	0	33	-2.0	-97.01	327.46	6.66	-90.35
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000356198	1	33	-2.0	-106.58	297.91	4.39	-102.19
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=CC=C1C(=O)[O-]	REAL300000356199	0	36	-2.0	-109.03	322.50	5.92	-103.11
COC1=CC(Cl)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=C1C(=O)[O-]	REAL300000356200	0	38	-2.0	-115.41	352.69	6.72	-108.69
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C(=O)[O-]	REAL300000356200	1	37	-3.0	-177.46	350.08	6.75	-170.71
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(F)=C1	REAL300000356201	0	37	-2.0	-109.03	345.63	6.39	-102.64
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000356202	1	37	-2.0	-103.60	340.64	6.24	-97.36
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356203	0	39	-2.0	-119.47	357.44	7.39	-112.08
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1C#N	REAL300000356204	1	35	-2.0	-102.34	321.27	6.44	-95.90
CC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000356205	0	30	-2.0	-95.35	299.04	4.24	-91.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(F)=C1	REAL300000356206	0	35	-2.0	-112.25	320.37	5.02	-107.23
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000356207	0	39	-2.0	-121.28	342.07	8.74	-112.54
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000356208	1	37	-2.0	-110.12	342.29	7.33	-102.79
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)=CC=C1C(=O)[O-]	REAL300000356210	0	35	-2.0	-114.94	329.07	6.43	-108.51
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000356211	1	34	-2.0	-107.82	315.49	6.48	-101.34
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000356212	1	41	-2.0	-114.03	355.52	8.96	-105.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)N(C)N=C1	REAL300000356214	0	34	-2.0	-101.92	298.18	4.02	-97.90
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356215	0	40	-2.0	-113.99	363.42	7.18	-106.81
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CN1C	REAL300000356216	0	43	-2.0	-109.48	383.31	6.76	-102.72
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=CC=C1C(=O)[O-]	REAL300000356218	0	29	-2.0	-100.88	285.23	4.10	-96.78
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C(F)C=C1C	REAL300000356219	0	43	-2.0	-108.63	379.47	7.73	-100.90
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356220	1	45	-2.0	-119.52	392.83	3.75	-115.77
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356221	0	42	-2.0	-118.68	364.63	5.06	-113.62
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1C(=O)[O-]	REAL300000356222	0	37	-2.0	-103.19	328.07	6.64	-96.55
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000356223	1	34	-2.0	-102.79	308.50	2.24	-100.55
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000356224	0	31	-2.0	-108.86	303.53	6.13	-102.73
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356227	0	40	-2.0	-111.54	358.82	8.32	-103.22
CC1=CC([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000356228	0	40	-2.0	-111.26	354.65	8.03	-103.23
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000356229	0	34	-2.0	-107.80	323.90	7.45	-100.35
CC1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300000356230	0	34	-2.0	-111.13	317.86	6.91	-104.22
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356231	1	43	-2.0	-116.06	380.13	7.91	-108.15
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356232	0	37	-2.0	-123.24	338.15	7.63	-115.61
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)N(C)N=C1	REAL300000356233	0	40	-2.0	-109.15	352.40	5.55	-103.60
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356234	0	44	-2.0	-118.95	386.10	6.93	-112.02
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1C	REAL300000356235	1	43	-2.0	-107.18	373.94	7.66	-99.52
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=CC=C1C(=O)[O-]	REAL300000356236	0	42	-2.0	-121.58	359.16	6.77	-114.81
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000356237	1	35	-2.0	-98.95	337.98	6.73	-92.22
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=CC=C1C(=O)[O-]	REAL300000356238	0	34	-2.0	-114.07	307.90	4.19	-109.88
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2C#N)=CC=C1C(=O)[O-]	REAL300000356239	0	32	-2.0	-113.13	319.09	6.36	-106.77
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356241	1	38	-2.0	-111.73	332.64	5.77	-105.96
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=CC=C1C(=O)[O-]	REAL300000356242	0	31	-2.0	-110.38	303.68	6.41	-103.97
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C2C=C1	REAL300000356244	1	40	-2.0	-111.98	348.60	8.49	-103.49
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=CC=C1C(=O)[O-]	REAL300000356245	0	28	-2.0	-108.83	289.28	5.01	-103.82
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356246	1	40	-2.0	-106.47	365.55	7.40	-99.07
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356247	0	31	-2.0	-107.80	294.86	5.21	-102.59
CC1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC=C1C(=O)[O-]	REAL300000356249	0	28	-2.0	-104.74	279.58	2.36	-102.38
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=CC=C1C(=O)[O-]	REAL300000356250	0	36	-2.0	-117.06	335.82	6.62	-110.44
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=CC=C1C(=O)[O-]	REAL300000356251	0	30	-2.0	-103.22	288.22	3.66	-99.56
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356252	1	38	-2.0	-105.36	349.51	5.85	-99.51
CC1=CC([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000356253	0	40	-2.0	-103.76	346.51	4.65	-99.11
CC1=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000356254	1	40	-2.0	-103.23	350.48	4.10	-99.13
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000356255	0	38	-3.0	-172.14	356.97	8.42	-163.72
CC1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=CC=C1C(=O)[O-]	REAL300000356258	0	34	-2.0	-105.01	317.48	6.01	-99.00
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000356259	0	34	-2.0	-111.21	332.59	7.61	-103.60
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356260	0	36	-2.0	-115.47	328.62	4.53	-110.94
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356261	0	30	-2.0	-101.76	289.79	3.84	-97.92
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000356262	0	33	-2.0	-106.31	322.43	7.51	-98.80
CC1=CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300000356264	0	35	-2.0	-89.44	328.99	5.04	-84.40
CC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000356264	1	35	-2.0	-107.66	330.14	4.26	-103.40
CC1=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000356265	0	37	-2.0	-103.96	337.67	6.96	-97.00
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)=CC=C1C(=O)[O-]	REAL300000356266	0	33	-2.0	-100.14	329.32	5.27	-94.87
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356269	1	40	-2.0	-107.45	378.76	7.75	-99.70
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC=C1C(=O)[O-]	REAL300000356270	0	28	-2.0	-111.30	279.58	4.60	-106.70
CC1=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=CC=C1C(=O)[O-]	REAL300000356272	0	37	-2.0	-121.70	342.12	3.98	-117.72
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000356273	0	34	-2.0	-108.18	319.93	4.40	-103.78
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=CC=C1C(=O)[O-]	REAL300000356274	1	40	-2.0	-108.82	346.14	7.14	-101.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000356275	1	32	-2.0	-99.76	308.02	5.98	-93.78
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C([N+](=O)[O-])C=C2F)=CC=C1C(=O)[O-]	REAL300000356279	0	36	-2.0	-100.77	330.83	6.79	-93.98
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC=C1C(=O)[O-]	REAL300000356280	0	37	-2.0	-119.89	331.60	6.92	-112.97
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=CC=C1C(=O)[O-]	REAL300000356281	0	32	-2.0	-108.14	318.27	4.95	-103.19
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000356282	0	35	-3.0	-184.32	333.50	7.98	-176.34
CC1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)=CC=C1C(=O)[O-]	REAL300000356283	0	35	-2.0	-108.55	332.60	5.41	-103.14
CC1=CC([N-]S(=O)(=O)C2=CC3=CC(C)=C(Cl)N=C3C=C2)=CC=C1C(=O)[O-]	REAL300000356284	1	39	-2.0	-105.35	357.79	6.94	-98.41
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C(F)C=C1C	REAL300000356286	0	40	-2.0	-108.50	357.62	6.81	-101.69
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=CC=C1C(=O)[O-]	REAL300000356287	0	31	-2.0	-100.61	313.87	5.74	-94.87
CC1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=CC=C1C(=O)[O-]	REAL300000356288	0	36	-2.0	-114.49	318.30	2.47	-112.02
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000356289	0	34	-2.0	-111.04	312.75	6.09	-104.95
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CN=C1C	REAL300000356290	0	39	-2.0	-101.35	347.40	4.89	-96.46
CC1=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356291	0	32	-2.0	-98.51	304.70	4.41	-94.10
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000356292	1	43	-2.0	-110.86	384.99	4.77	-106.09
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)=CC=C1C(=O)[O-]	REAL300000356293	1	33	-2.0	-100.12	308.85	4.93	-95.19
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C(Br)N1C	REAL300000356294	0	34	-2.0	-116.42	321.91	4.99	-111.43
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000356295	1	37	-2.0	-102.32	335.73	7.06	-95.26
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356296	1	40	-2.0	-116.23	358.25	6.99	-109.24
CC1=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=CC=C1C(=O)[O-]	REAL300000356297	1	33	-2.0	-99.79	321.04	5.43	-94.36
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C	REAL300000356301	0	34	-2.0	-107.83	301.96	3.78	-104.05
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356303	1	44	-2.0	-120.08	375.87	6.43	-113.65
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356304	0	34	-2.0	-107.36	304.68	3.91	-103.45
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356305	1	38	-2.0	-107.06	353.09	5.78	-101.28
CC1=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000356306	0	31	-2.0	-100.29	297.17	4.15	-96.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C(=O)OC(C)C	REAL300000356307	1	46	-2.0	-107.71	394.05	8.37	-99.34
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=CC=C1C(=O)[O-]	REAL300000356309	1	36	-2.0	-107.15	327.73	2.75	-104.40
CC1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000356310	0	31	-2.0	-105.45	296.97	3.08	-102.37
CC1=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000356311	0	37	-2.0	-103.49	331.68	5.58	-97.91
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356312	1	44	-2.0	-107.01	391.14	5.91	-101.10
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C(N(C)C)C=CC=C23)=CC=C1C(=O)[O-]	REAL300000356313	1	45	-2.0	-114.07	375.77	7.71	-106.36
CC1=CC([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)=CC=C1C(=O)[O-]	REAL300000356315	1	33	-2.0	-106.57	329.46	5.47	-101.10
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1Cl	REAL300000356316	0	39	-2.0	-112.55	355.05	5.22	-107.33
CC1=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=CC=C1C(=O)[O-]	REAL300000356317	0	39	-2.0	-100.90	356.53	4.23	-96.67
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=CC=C1C(=O)[O-]	REAL300000356319	0	34	-2.0	-105.76	318.51	3.13	-102.63
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Cl	REAL300000356321	1	35	-2.0	-103.07	326.85	5.41	-97.66
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)=CC=C1C(=O)[O-]	REAL300000356322	0	35	-2.0	-118.18	332.89	2.19	-115.99
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C(=O)[O-]	REAL300000356323	0	33	-3.0	-180.31	313.43	6.14	-174.17
CC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C(=O)[O-]	REAL300000356323	1	34	-2.0	-102.08	316.16	6.11	-95.97
CC1=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=CC=C1C(=O)[O-]	REAL300000356324	0	28	-2.0	-112.52	280.67	3.55	-108.97
CC1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=CC=C1C(=O)[O-]	REAL300000356325	0	33	-2.0	-120.02	312.50	4.97	-115.05
CC1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=CC=C1C(=O)[O-]	REAL300000356326	1	36	-2.0	-111.99	317.11	5.40	-106.59
CC1=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=CC=C1C(=O)[O-]	REAL300000356328	0	37	-2.0	-117.01	331.82	7.85	-109.16
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=CC=C1C(=O)[O-]	REAL300000356329	0	34	-2.0	-113.96	325.56	4.74	-109.22
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356330	0	37	-2.0	-114.17	349.71	7.08	-107.09
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000356332	0	34	-2.0	-110.94	308.27	7.04	-103.90
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000356333	0	35	-2.0	-107.45	325.71	5.68	-101.77
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CC=C1C(=O)[O-]	REAL300000356334	0	36	-2.0	-120.64	321.69	5.50	-115.14
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000356335	1	40	-2.0	-111.93	363.72	7.04	-104.89
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C2=CC=CC(C)=C2S1	REAL300000356336	0	40	-2.0	-111.86	352.50	8.57	-103.29
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000356337	0	35	-2.0	-107.67	336.04	6.12	-101.55
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(F)=C1	REAL300000356343	0	34	-2.0	-116.07	311.22	6.51	-109.56
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=CC=C1C(=O)[O-]	REAL300000356345	0	30	-2.0	-101.58	306.35	4.75	-96.83
CC1=CC([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000356346	0	31	-2.0	-103.81	304.89	3.71	-100.10
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=CC=C1C(=O)[O-]	REAL300000356347	1	36	-2.0	-108.66	325.15	4.01	-104.65
CC1=CC(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356349	0	37	-2.0	-114.63	337.52	6.78	-107.85
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356349	1	36	-3.0	-169.57	338.86	6.90	-162.67
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356351	0	35	-2.0	-113.19	315.97	5.40	-107.79
CC1=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=CC=C1C(=O)[O-]	REAL300000356352	1	34	-2.0	-99.74	320.89	4.65	-95.09
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1[N+](=O)[O-]	REAL300000356353	1	39	-2.0	-107.62	343.99	7.39	-100.23
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356354	0	47	-2.0	-118.51	385.76	7.65	-110.86
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1Cl	REAL300000356356	0	34	-2.0	-99.71	324.56	2.78	-96.93
CC1=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000356357	1	35	-2.0	-104.51	331.04	3.70	-100.81
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Cl	REAL300000356358	1	34	-2.0	-104.17	316.78	6.66	-97.51
CC1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000356359	1	37	-2.0	-118.33	329.39	6.53	-111.80
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C2)=N1	REAL300000356360	1	40	-2.0	-107.89	367.55	7.02	-100.87
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356361	0	40	-2.0	-114.87	361.84	6.90	-107.97
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C([N+](=O)[O-])S1	REAL300000356362	0	33	-2.0	-115.37	315.89	6.74	-108.63
CC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000356364	0	33	-2.0	-99.93	319.79	5.55	-94.38
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=CC=C1C(=O)[O-]	REAL300000356365	1	34	-2.0	-104.21	323.29	3.74	-100.47
CC1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC=C1C(=O)[O-]	REAL300000356366	0	30	-2.0	-111.08	281.78	3.73	-107.35
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC=C1C(=O)[O-]	REAL300000356369	0	30	-2.0	-99.49	282.73	3.71	-95.78
CC1=CC([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000356371	0	33	-2.0	-107.11	331.89	5.53	-101.58
CC1=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=CC=C1C(=O)[O-]	REAL300000356372	0	29	-2.0	-113.76	295.78	5.06	-108.70
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356373	0	38	-2.0	-114.84	354.23	7.44	-107.40
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000356376	1	31	-2.0	-100.61	303.92	6.12	-94.49
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=CC=C1C(=O)[O-]	REAL300000356377	0	40	-2.0	-115.49	342.98	5.92	-109.57
CC1=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=CC=C1C(=O)[O-]	REAL300000356378	1	38	-2.0	-114.48	346.43	3.42	-111.06
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=CC=C1C(=O)[O-]	REAL300000356379	0	39	-2.0	-119.32	333.50	6.76	-112.56
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356380	0	41	-2.0	-108.42	354.41	4.43	-103.99
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(F)=C1	REAL300000356381	0	40	-2.0	-108.41	367.50	7.31	-101.10
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)S2)C1	REAL300000356386	0	42	-2.0	-109.83	371.63	6.02	-103.81
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000356387	1	46	-2.0	-113.59	391.18	7.89	-105.70
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356389	1	38	-2.0	-119.86	337.22	2.99	-116.87
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)=C2)=N1	REAL300000356393	1	43	-2.0	-111.71	374.77	5.44	-106.27
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)N(C)N=C1	REAL300000356394	0	37	-2.0	-108.88	330.54	4.62	-104.26
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2C)=CC=C1C(=O)[O-]	REAL300000356396	0	36	-2.0	-96.88	337.05	7.40	-89.48
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1Cl	REAL300000356397	1	39	-2.0	-105.46	362.83	4.43	-101.03
CC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)=CC=C1C(=O)[O-]	REAL300000356400	0	38	-2.0	-116.25	347.78	7.35	-108.90
COC(=O)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=CC=C12	REAL300000356401	1	43	-2.0	-110.59	372.43	8.37	-102.22
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)N1C	REAL300000356402	0	34	-2.0	-106.13	300.46	4.59	-101.54
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1F	REAL300000356403	0	37	-2.0	-111.13	350.19	6.40	-104.73
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356404	1	44	-2.0	-112.24	371.38	7.21	-105.03
CC1=CC([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000356407	0	44	-2.0	-107.21	383.00	7.83	-99.38
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000356408	0	36	-2.0	-113.51	329.31	7.66	-105.85
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CN1CC1CC1	REAL300000356409	0	44	-2.0	-118.28	380.01	7.51	-110.77
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)O1	REAL300000356410	0	37	-2.0	-103.45	338.74	4.93	-98.52
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C2C1	REAL300000356411	1	42	-2.0	-115.29	364.72	6.02	-109.27
CC1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=CC=C1C(=O)[O-]	REAL300000356412	0	34	-2.0	-105.76	321.05	5.06	-100.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(C)=C1[N+](=O)[O-]	REAL300000356414	1	39	-2.0	-104.78	345.37	7.88	-96.90
CC1=CC(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356415	0	40	-2.0	-129.77	353.36	8.23	-121.54
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356415	1	39	-3.0	-186.58	354.16	8.32	-178.26
CC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=CC=C1C(=O)[O-]	REAL300000356416	0	34	-2.0	-95.54	322.90	4.17	-91.37
CC1=CC([N-]S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000356417	1	42	-2.0	-110.22	381.92	9.65	-100.57
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=CC=C1C(=O)[O-]	REAL300000356418	0	30	-2.0	-103.92	298.67	4.15	-99.77
CC1=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=CC=C1C(=O)[O-]	REAL300000356419	1	41	-2.0	-120.61	347.39	8.95	-111.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(F)=C1F	REAL300000356421	0	34	-2.0	-111.26	313.43	6.33	-104.93
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)=CC=C1C(=O)[O-]	REAL300000356422	0	30	-2.0	-104.07	303.27	4.23	-99.84
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)OC=C1	REAL300000356423	0	34	-2.0	-115.78	313.44	5.01	-110.77
CC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000356425	0	33	-2.0	-122.66	309.70	4.44	-118.22
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(C)=N1	REAL300000356426	0	43	-2.0	-107.03	369.21	6.32	-100.71
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C(OC)C=C1F	REAL300000356427	0	41	-2.0	-107.72	368.77	6.03	-101.69
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C(=O)[O-]	REAL300000356429	0	32	-3.0	-173.17	305.99	4.24	-168.93
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356430	0	35	-2.0	-109.48	314.03	5.70	-103.78
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000356432	1	43	-2.0	-106.35	359.53	7.80	-98.55
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000356433	1	32	-2.0	-102.13	312.62	6.12	-96.01
CC1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000356435	0	34	-2.0	-103.95	314.44	4.18	-99.77
CC1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=CC=C1C(=O)[O-]	REAL300000356436	0	33	-2.0	-120.67	304.47	4.74	-115.93
CC1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=CC=C1C(=O)[O-]	REAL300000356436	1	33	-2.0	-107.39	304.57	4.61	-102.78
CC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300000356437	0	35	-2.0	-116.39	315.04	5.52	-110.87
CC1=CC([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=CC=C1C(=O)[O-]	REAL300000356438	0	41	-2.0	-105.46	342.27	5.67	-99.79
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000356439	0	43	-2.0	-106.76	349.70	6.17	-100.59
CC1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000356441	0	41	-2.0	-107.85	352.81	6.01	-101.84
CC1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)=CC=C1C(=O)[O-]	REAL300000356442	0	34	-2.0	-100.00	315.62	4.46	-95.54
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2Br)=CC=C1C(=O)[O-]	REAL300000356443	0	31	-2.0	-106.92	306.55	3.75	-103.17
CC1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300000356447	0	32	-2.0	-99.14	286.50	4.20	-94.94
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000356447	1	32	-2.0	-108.42	297.48	3.31	-105.11
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356449	0	34	-2.0	-122.05	312.31	3.22	-118.83
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356450	0	37	-2.0	-107.59	324.14	4.71	-102.88
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000356451	1	36	-2.0	-108.54	326.34	6.02	-102.52
CC1=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=CC=C1C(=O)[O-]	REAL300000356452	0	31	-2.0	-101.73	286.52	2.91	-98.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(C#N)=C1	REAL300000356453	0	35	-2.0	-115.89	320.81	6.51	-109.38
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)=CC=C1C(=O)[O-]	REAL300000356454	0	35	-2.0	-116.61	312.56	6.78	-109.83
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=CC=C1C(=O)[O-]	REAL300000356459	1	38	-2.0	-113.15	345.07	7.51	-105.64
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356461	0	31	-2.0	-98.98	300.54	1.35	-97.63
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356462	0	45	-2.0	-126.63	381.38	5.20	-121.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356466	0	37	-3.0	-166.17	337.97	5.91	-160.26
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356466	1	38	-2.0	-103.35	340.78	5.87	-97.48
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C(C(N)=O)O1	REAL300000356467	0	35	-2.0	-108.14	320.85	1.17	-106.97
CC1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=CC=C1C(=O)[O-]	REAL300000356469	0	31	-2.0	-103.89	301.76	5.47	-98.42
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356471	0	30	-3.0	-161.19	309.90	5.08	-156.11
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356472	0	47	-2.0	-109.86	399.92	8.44	-101.42
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=CC=C1C(=O)[O-]	REAL300000356473	1	36	-2.0	-117.99	317.55	6.07	-111.92
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356474	0	38	-2.0	-110.17	342.75	5.76	-104.41
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=CC=C1C(=O)[O-]	REAL300000356475	0	32	-2.0	-111.51	307.14	5.97	-105.54
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356476	0	34	-2.0	-99.28	335.86	4.83	-94.45
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C21	REAL300000356478	1	45	-2.0	-131.13	382.11	7.48	-123.65
CC1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000356479	0	38	-2.0	-108.08	335.28	5.34	-102.74
CC1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=CC=C1C(=O)[O-]	REAL300000356480	0	38	-2.0	-103.55	326.52	5.55	-98.00
CC1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=CC=C1C(=O)[O-]	REAL300000356481	0	41	-2.0	-105.81	347.09	6.13	-99.68
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C2=CC=CC=C12	REAL300000356482	0	43	-2.0	-109.65	372.17	8.37	-101.28
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356483	0	44	-2.0	-120.51	386.08	6.94	-113.57
CC1=CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1C(=O)[O-]	REAL300000356484	0	32	-2.0	-98.21	312.87	5.21	-93.00
CC1=CC([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)=CC=C1C(=O)[O-]	REAL300000356485	0	36	-2.0	-113.44	333.29	4.52	-108.92
CC1=CC([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=CC=C1C(=O)[O-]	REAL300000356486	0	42	-2.0	-114.49	356.35	3.57	-110.92
CC1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=CC=C1C(=O)[O-]	REAL300000356487	0	37	-2.0	-107.80	348.15	6.46	-101.34
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=CC=C1C(=O)[O-]	REAL300000356488	1	37	-2.0	-106.89	332.04	2.78	-104.11
CC1=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=CC=C1C(=O)[O-]	REAL300000356489	0	28	-2.0	-106.38	281.97	4.28	-102.10
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000356490	1	35	-2.0	-98.85	327.18	5.10	-93.75
CC1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=CC=C1C(=O)[O-]	REAL300000356491	0	38	-2.0	-108.45	324.21	5.61	-102.84
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000356492	0	35	-2.0	-106.80	322.50	4.99	-101.81
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000356494	0	41	-2.0	-114.85	355.80	6.94	-107.91
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356495	1	34	-2.0	-105.61	304.31	6.26	-99.35
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=CC=C1C(=O)[O-]	REAL300000356496	0	39	-2.0	-120.39	338.47	6.14	-114.25
CC1=CC([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=CC=C1C(=O)[O-]	REAL300000356497	0	39	-2.0	-105.82	349.98	5.22	-100.60
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300000356498	1	39	-2.0	-111.85	349.52	7.76	-104.09
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356499	0	35	-2.0	-111.64	317.74	6.21	-105.43
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=CC=C1C(=O)[O-]	REAL300000356500	0	37	-2.0	-115.02	334.97	6.18	-108.84
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C21	REAL300000356501	1	45	-2.0	-108.53	378.43	7.03	-101.50
CC1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=CC=C1C(=O)[O-]	REAL300000356502	0	28	-2.0	-106.83	286.73	4.99	-101.84
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=NN2C)=CC=C1C(=O)[O-]	REAL300000356503	0	31	-2.0	-96.86	302.24	3.73	-93.13
CC1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000356504	0	33	-2.0	-99.59	315.47	4.75	-94.84
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356505	0	36	-2.0	-122.92	322.00	5.16	-117.76
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356506	0	33	-2.0	-96.54	295.23	2.88	-93.66
CC1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=CC=C1C(=O)[O-]	REAL300000356508	1	32	-2.0	-98.51	296.17	4.34	-94.17
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000356509	0	34	-2.0	-110.88	320.16	6.99	-103.89
CC1=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=CC=C1C(=O)[O-]	REAL300000356510	0	34	-2.0	-123.14	326.21	5.25	-117.89
CC1=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=CC=C1C(=O)[O-]	REAL300000356511	0	38	-2.0	-102.06	332.23	5.33	-96.73
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1OC	REAL300000356513	0	39	-2.0	-114.26	337.03	5.48	-108.78
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000356515	1	32	-2.0	-100.08	321.83	6.45	-93.63
CC1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300000356516	0	34	-2.0	-111.22	311.07	5.84	-105.38
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1OC	REAL300000356517	0	39	-2.0	-116.89	340.72	5.87	-111.02
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)=CC=C1C(=O)[O-]	REAL300000356518	0	44	-2.0	-110.83	370.08	6.46	-104.37
CC1=CC([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000356519	0	35	-2.0	-113.68	332.15	7.49	-106.19
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=CC=C1C(=O)[O-]	REAL300000356520	0	38	-2.0	-110.03	336.59	5.49	-104.54
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=CC=C1C(=O)[O-]	REAL300000356522	0	34	-2.0	-116.57	310.74	4.76	-111.81
CC1=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=CC=C1C(=O)[O-]	REAL300000356523	0	36	-2.0	-126.32	325.85	3.95	-122.37
CC1=CC([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=CC=C1C(=O)[O-]	REAL300000356525	0	38	-2.0	-110.64	322.24	7.47	-103.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CN=C1N	REAL300000356526	1	35	-2.0	-108.68	309.33	3.26	-105.42
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356527	0	31	-2.0	-106.34	298.58	1.42	-104.92
CC1=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300000356530	1	34	-2.0	-107.53	314.99	5.93	-101.60
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=CC=C1C(=O)[O-]	REAL300000356531	0	41	-2.0	-110.23	352.85	5.96	-104.27
CC1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=CC=C1C(=O)[O-]	REAL300000356533	0	28	-2.0	-106.40	287.14	5.09	-101.31
CC1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000356534	0	41	-2.0	-108.41	359.36	6.31	-102.10
CC1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=CC=C1C(=O)[O-]	REAL300000356535	0	35	-2.0	-112.85	318.05	6.74	-106.11
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)=CC=C1C(=O)[O-]	REAL300000356536	0	42	-2.0	-115.81	379.81	8.37	-107.44
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000356537	1	44	-2.0	-118.48	371.12	3.95	-114.53
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C2=NC=CC=C2C=C1	REAL300000356538	0	40	-2.0	-134.45	346.76	6.76	-127.69
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356539	1	40	-2.0	-111.03	345.70	7.76	-103.27
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356540	0	37	-2.0	-100.55	337.60	3.90	-96.65
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=CC=C1C(=O)[O-]	REAL300000356541	0	32	-2.0	-111.78	305.82	5.91	-105.87
CC1=CC([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=CC=C1C(=O)[O-]	REAL300000356542	0	38	-2.0	-106.31	326.99	5.08	-101.23
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356543	0	35	-2.0	-97.42	341.83	7.00	-90.42
COC(=O)C1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C2C=C1	REAL300000356545	1	43	-2.0	-108.75	381.99	8.47	-100.28
CC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000356547	0	40	-2.0	-101.15	328.09	5.45	-95.70
CC1=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000356548	0	40	-2.0	-108.76	349.88	5.38	-103.38
CC1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=CC=C1C(=O)[O-]	REAL300000356549	0	38	-2.0	-108.74	333.94	4.76	-103.98
CC1=CC([N-]S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000356550	0	36	-2.0	-99.25	332.22	5.38	-93.87
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000356551	1	42	-2.0	-106.34	355.57	6.37	-99.97
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356552	1	33	-2.0	-95.01	324.41	6.41	-88.60
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000356553	1	34	-2.0	-100.06	326.43	6.62	-93.44
CC1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=CC=C1C(=O)[O-]	REAL300000356554	1	34	-2.0	-109.40	309.30	6.37	-103.03
CC1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=CC=C1C(=O)[O-]	REAL300000356555	0	31	-2.0	-109.25	306.52	6.03	-103.22
CC1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000356556	0	31	-2.0	-101.15	313.06	5.65	-95.50
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356557	0	34	-2.0	-101.81	303.47	3.77	-98.04
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000356559	1	34	-2.0	-99.20	333.21	6.97	-92.23
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=CC=C1C(=O)[O-]	REAL300000356561	1	34	-2.0	-110.08	303.10	6.71	-103.37
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356562	1	42	-2.0	-119.22	365.87	7.58	-111.64
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)=CC=C1C(=O)[O-]	REAL300000356564	1	41	-2.0	-112.64	361.55	7.24	-105.40
CC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000356566	0	36	-2.0	-107.19	340.07	6.04	-101.15
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000356567	1	40	-2.0	-109.75	359.72	7.20	-102.55
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=CC=C1C(=O)[O-]	REAL300000356568	0	32	-2.0	-108.84	313.93	6.40	-102.44
CC1=CC([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)=CC=C1C(=O)[O-]	REAL300000356569	0	40	-2.0	-116.04	355.50	5.51	-110.53
CC1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000356570	0	31	-2.0	-109.00	301.32	5.79	-103.21
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=CC=C1C(=O)[O-]	REAL300000356571	1	38	-2.0	-110.88	330.54	7.66	-103.22
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=CS1	REAL300000356572	0	32	-2.0	-114.62	307.62	4.11	-110.51
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000356573	0	34	-2.0	-107.80	313.57	7.00	-100.80
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356574	0	37	-2.0	-105.68	351.56	6.01	-99.67
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=CC=C1C(=O)[O-]	REAL300000356575	0	38	-2.0	-112.22	336.02	7.72	-104.50
CC1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=CC=C1C(=O)[O-]	REAL300000356576	0	41	-2.0	-103.90	346.05	6.17	-97.73
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356577	0	40	-2.0	-103.11	341.26	5.45	-97.66
CC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)=CC=C1C(=O)[O-]	REAL300000356580	0	34	-2.0	-114.71	335.24	2.05	-112.66
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=CC=C1C(=O)[O-]	REAL300000356581	0	36	-2.0	-118.61	324.90	3.92	-114.69
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)O1	REAL300000356582	0	34	-2.0	-109.72	311.47	5.27	-104.45
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356583	0	43	-2.0	-125.67	372.13	9.21	-116.46
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=CC=C1C(=O)[O-]	REAL300000356584	0	31	-2.0	-101.35	305.16	4.78	-96.57
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356585	0	35	-2.0	-105.74	322.25	5.45	-100.29
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)=CC=C1C(=O)[O-]	REAL300000356586	0	45	-2.0	-109.18	379.64	4.70	-104.48
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000356587	1	37	-2.0	-109.01	334.50	7.08	-101.93
CC1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000356588	1	35	-2.0	-108.79	320.57	5.13	-103.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000356590	0	32	-2.0	-105.96	305.09	4.00	-101.96
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000356591	0	42	-2.0	-126.69	352.71	7.89	-118.80
CC1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CC=C1C(=O)[O-]	REAL300000356593	0	34	-2.0	-104.30	313.97	4.25	-100.05
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356594	1	41	-2.0	-111.96	358.21	6.24	-105.72
CC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)=CC=C1C(=O)[O-]	REAL300000356595	0	34	-2.0	-104.05	332.98	5.02	-99.03
CC1=CC([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)=CC=C1C(=O)[O-]	REAL300000356596	0	41	-2.0	-104.04	360.96	6.75	-97.29
CC1=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000356597	0	44	-2.0	-107.58	371.77	6.60	-100.98
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CC=C1C(=O)[O-]	REAL300000356599	1	34	-2.0	-111.96	302.94	6.47	-105.49
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356600	1	43	-2.0	-114.49	367.99	8.16	-106.33
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Br)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000356601	1	37	-2.0	-106.68	343.09	7.41	-99.27
CC1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC=C1C(=O)[O-]	REAL300000356602	0	34	-2.0	-113.17	308.27	5.91	-107.26
CC1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=CC=C1C(=O)[O-]	REAL300000356603	1	33	-2.0	-110.58	312.25	4.94	-105.64
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000356604	0	33	-2.0	-106.53	302.16	2.40	-104.13
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1Cl	REAL300000356605	0	34	-2.0	-104.52	322.99	4.49	-100.03
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=CC=C1C(=O)[O-]	REAL300000356607	0	33	-2.0	-102.47	321.50	4.74	-97.73
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)=CC=C1C(=O)[O-]	REAL300000356608	0	36	-2.0	-121.08	337.73	6.74	-114.34
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC=C1C(=O)[O-]	REAL300000356609	0	28	-2.0	-102.38	281.05	4.17	-98.21
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=CC=C1C(=O)[O-]	REAL300000356610	1	36	-2.0	-118.07	334.50	6.52	-111.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C2=CC=CC=C12	REAL300000356611	1	40	-2.0	-118.74	340.07	8.39	-110.35
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=CC=C1C(=O)[O-]	REAL300000356614	0	31	-2.0	-103.56	308.81	6.16	-97.40
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)O1	REAL300000356615	0	37	-2.0	-118.09	344.92	1.85	-116.24
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000356616	0	41	-2.0	-112.13	359.51	6.97	-105.16
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=CC=C1C(=O)[O-]	REAL300000356620	0	35	-2.0	-109.18	325.12	6.86	-102.32
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000356621	1	34	-2.0	-99.86	326.75	6.36	-93.50
CC1=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=CC=C1C(=O)[O-]	REAL300000356623	0	27	-2.0	-99.97	289.32	4.09	-95.88
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=NN1	REAL300000356625	0	37	-2.0	-106.45	341.50	3.36	-103.09
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1OC	REAL300000356626	0	36	-2.0	-110.98	334.28	3.56	-107.42
CC1=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000356627	0	32	-2.0	-92.19	320.52	4.56	-87.63
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000356627	1	31	-3.0	-160.65	317.88	4.59	-156.06
CC1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000356628	0	30	-2.0	-95.13	298.93	4.19	-90.94
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000356629	0	35	-2.0	-108.87	329.50	6.56	-102.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000356630	1	35	-2.0	-107.91	326.80	5.20	-102.71
CC1=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=CC=C1C(=O)[O-]	REAL300000356631	0	37	-2.0	-106.76	325.70	5.50	-101.26
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=CC=C1C(=O)[O-]	REAL300000356632	1	38	-2.0	-115.84	335.00	7.31	-108.53
CC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000356633	0	34	-2.0	-110.73	311.76	6.93	-103.80
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)=CC=C1C(=O)[O-]	REAL300000356634	1	40	-2.0	-106.04	364.26	6.15	-99.89
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=CC=C1C(=O)[O-]	REAL300000356635	0	28	-2.0	-98.15	306.38	5.65	-92.50
CC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000356636	0	31	-2.0	-104.18	301.18	3.61	-100.57
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356637	0	44	-2.0	-111.13	378.71	8.09	-103.04
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000356638	1	36	-2.0	-106.62	332.79	6.19	-100.43
CC1=CC([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000356639	1	42	-2.0	-111.02	371.65	8.47	-102.55
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=CC=C1C(=O)[O-]	REAL300000356640	1	37	-2.0	-121.82	319.13	7.38	-114.44
CC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=CC=C1C(=O)[O-]	REAL300000356641	0	29	-2.0	-109.31	283.15	4.01	-105.30
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)=CC=C1C(=O)[O-]	REAL300000356642	1	36	-2.0	-106.48	336.15	4.14	-102.34
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=CC=C1C(=O)[O-]	REAL300000356643	0	32	-2.0	-111.39	326.89	4.45	-106.94
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000356644	0	40	-2.0	-112.70	364.51	4.53	-108.17
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000356644	1	39	-3.0	-170.08	361.21	3.40	-166.68
CC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)=CC=C1C(=O)[O-]	REAL300000356645	0	33	-2.0	-100.63	309.04	4.94	-95.69
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356646	1	42	-2.0	-112.47	364.93	7.17	-105.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(C2CC2)=N1	REAL300000356647	0	41	-2.0	-110.16	358.15	6.36	-103.80
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)=CC=C1C(=O)[O-]	REAL300000356648	0	35	-2.0	-117.07	319.30	4.92	-112.15
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=CC=C1C(=O)[O-]	REAL300000356649	1	37	-2.0	-107.41	343.95	8.34	-99.07
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C(Cl)S1	REAL300000356652	0	34	-2.0	-113.25	337.61	6.47	-106.78
CCC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Br	REAL300000356653	1	37	-2.0	-104.49	340.36	7.43	-97.06
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356654	0	44	-2.0	-106.34	369.27	6.69	-99.65
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC=C1C(=O)[O-]	REAL300000356655	0	28	-2.0	-105.54	280.06	4.06	-101.48
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CC=C1C(=O)[O-]	REAL300000356656	0	28	-2.0	-102.97	290.11	5.06	-97.91
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356657	0	45	-2.0	-117.75	386.13	5.84	-111.91
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=CC=C1C(=O)[O-]	REAL300000356658	0	37	-2.0	-113.06	340.16	8.39	-104.67
CC1=CC([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=CC=C1C(=O)[O-]	REAL300000356659	0	39	-2.0	-103.28	333.59	3.31	-99.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(C)=N1	REAL300000356664	1	37	-2.0	-102.86	324.15	3.00	-99.86
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356665	0	37	-2.0	-113.20	328.71	3.38	-109.82
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356667	0	34	-2.0	-107.28	324.02	3.22	-104.06
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C	REAL300000356668	1	37	-2.0	-103.64	328.62	2.97	-100.67
CC1=CC([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000356669	0	40	-2.0	-106.37	344.27	5.69	-100.68
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356670	0	40	-2.0	-107.65	344.90	5.29	-102.36
CC1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=CC=C1C(=O)[O-]	REAL300000356671	0	30	-2.0	-105.50	308.64	3.53	-101.97
CC1=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=CC=C1C(=O)[O-]	REAL300000356672	0	29	-2.0	-108.57	284.24	3.96	-104.61
CC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=CC=C1C(=O)[O-]	REAL300000356673	0	29	-2.0	-112.29	293.35	4.89	-107.40
CC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)C)=CC=C1C(=O)[O-]	REAL300000356675	0	37	-2.0	-102.53	323.02	4.82	-97.71
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C	REAL300000356676	0	39	-2.0	-101.28	348.10	4.93	-96.35
CC1=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C(=O)[O-]	REAL300000356677	0	41	-2.0	-99.54	358.37	7.99	-91.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C(=O)[O-]	REAL300000356677	1	40	-3.0	-169.03	355.88	8.00	-161.03
CC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000356678	0	34	-2.0	-115.33	323.53	7.38	-107.95
CC1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CC=C1C(=O)[O-]	REAL300000356679	0	38	-2.0	-102.50	333.51	5.67	-96.83
CC1=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000356680	0	38	-2.0	-107.77	334.93	6.71	-101.06
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C(C)C	REAL300000356682	0	40	-2.0	-108.37	344.38	5.36	-103.01
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000356683	1	38	-2.0	-115.97	341.18	7.76	-108.21
CC1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000356684	0	33	-2.0	-103.85	308.67	4.58	-99.27
CC1=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=CC=C1C(=O)[O-]	REAL300000356685	0	31	-2.0	-106.90	320.71	1.68	-105.22
CC1=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=CC=C1C(=O)[O-]	REAL300000356689	0	35	-2.0	-111.03	331.76	6.02	-105.01
CC1=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C(=O)[O-]	REAL300000356690	0	41	-2.0	-103.81	357.69	7.99	-95.82
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C(=O)[O-]	REAL300000356690	1	40	-3.0	-175.55	359.29	8.11	-167.44
CC1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC=C1C(=O)[O-]	REAL300000356691	1	32	-2.0	-109.87	292.33	2.70	-107.17
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356692	1	40	-2.0	-113.71	346.13	7.23	-106.48
CC1=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000356693	0	34	-2.0	-118.47	320.97	6.54	-111.93
CC1=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000356694	0	35	-2.0	-118.73	329.19	4.82	-113.91
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=CC=C1C(=O)[O-]	REAL300000356695	1	38	-2.0	-117.07	341.21	7.96	-109.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(Cl)=C1Cl	REAL300000356696	0	34	-2.0	-108.41	328.34	7.16	-101.25
CC1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)=CC=C1C(=O)[O-]	REAL300000356697	0	35	-2.0	-105.61	336.86	5.52	-100.09
CC1=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000356698	0	38	-2.0	-108.26	349.24	6.61	-101.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C(C(F)F)=C1	REAL300000356699	1	38	-2.0	-115.65	331.76	6.14	-109.51
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C)=C3)C=C2C1	REAL300000356701	1	44	-2.0	-114.43	384.68	8.19	-106.24
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356702	0	36	-2.0	-116.99	322.08	5.13	-111.86
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356703	0	37	-2.0	-105.97	346.40	3.73	-102.24
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000356704	0	37	-2.0	-126.56	330.41	7.09	-119.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C2=NC=CC=C12	REAL300000356705	0	39	-2.0	-126.14	339.03	6.72	-119.42
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C(C(=O)[O-])O1	REAL300000356706	0	36	-3.0	-167.88	331.89	6.10	-161.78
CCC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=C(C(=O)[O-])O1	REAL300000356706	1	37	-2.0	-112.45	334.83	6.02	-106.43
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356707	0	44	-2.0	-119.39	370.52	7.53	-111.86
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)C=C(Cl)S1	REAL300000356708	1	31	-2.0	-102.99	306.58	5.95	-97.04
CC1=CC([N-]S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)=CC=C1C(=O)[O-]	REAL300000356709	0	38	-2.0	-110.33	354.01	6.52	-103.81
CC1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=CC=C1C(=O)[O-]	REAL300000356710	0	38	-2.0	-109.35	327.02	4.87	-104.48
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000356711	0	34	-2.0	-114.12	308.22	6.28	-107.84
NC(=O)CCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000356712	1	39	-2.0	-110.22	368.71	3.84	-106.38
NC(=O)CCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000356713	1	39	-2.0	-100.09	364.15	3.82	-96.27
NC(=O)CCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000356714	1	39	-2.0	-112.91	364.17	3.81	-109.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC(N)=O)C=C1C(=O)[O-]	REAL300000356715	1	42	-2.0	-114.06	380.20	4.34	-109.72
NC(=O)CCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000356716	0	39	-2.0	-110.47	369.65	3.87	-106.60
NC(=O)CCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000356717	0	36	-2.0	-107.11	357.36	2.82	-104.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SCCC(N)=O	REAL300000356718	1	42	-2.0	-113.86	379.61	4.59	-109.27
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC(N)=O)C=C1C(=O)[O-]	REAL300000356719	0	40	-2.0	-111.07	370.82	3.15	-107.92
NC(=O)CCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000356720	0	36	-2.0	-108.50	355.83	2.84	-105.66
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC(N)=O)C=C(C(=O)[O-])O1	REAL300000356721	0	39	-2.0	-106.59	367.18	2.94	-103.65
NC(=O)CCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000356722	0	39	-2.0	-99.54	368.69	3.85	-95.69
NC(=O)CCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000356723	0	36	-2.0	-101.88	356.43	2.94	-98.94
NC(=O)CCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000356724	0	39	-2.0	-103.73	370.58	3.87	-99.86
NC(=O)CCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000356725	0	39	-2.0	-99.60	369.64	3.88	-95.72
NC(=O)CCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000356726	0	40	-2.0	-112.66	373.89	1.51	-111.15
NC(=O)CCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000356727	1	42	-2.0	-103.89	386.35	4.58	-99.31
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SCCC(N)=O	REAL300000356728	1	42	-2.0	-108.59	374.21	4.44	-104.15
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SCCC(N)=O	REAL300000356729	1	42	-2.0	-100.14	379.59	4.58	-95.56
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC(N)=O)C=C1C(=O)[O-]	REAL300000356730	0	43	-2.0	-112.33	392.20	4.02	-108.31
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SCCC(N)=O)=CC=C1C(=O)[O-]	REAL300000356731	1	42	-2.0	-101.72	384.23	4.45	-97.27
NC(=O)CCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000356732	0	39	-2.0	-116.68	367.81	3.83	-112.85
NC(=O)CCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000356733	0	38	-2.0	-110.72	360.38	1.92	-108.80
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC(N)=O)C=C(C(=O)[O-])O1	REAL300000356734	0	42	-2.0	-106.23	386.29	3.79	-102.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=NC(SC3=CC=CC=N3)=C2)C=C1	REAL300000356735	1	37	-2.0	-97.69	354.67	6.73	-90.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=NC(SC3=CC=CC=N3)=C2)=C1	REAL300000356736	1	37	-2.0	-110.13	354.69	6.72	-103.41
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=NC(SC3=CC=CC=N3)=C2)=C1	REAL300000356737	0	34	-2.0	-104.30	347.87	5.74	-98.56
CN1C=C(S(=O)(=O)[N-]C2=CC=NC(SC3=CC=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000356738	0	38	-2.0	-108.57	361.33	6.07	-102.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=NC(SC3=CC=CC=N3)=C2)=CS1	REAL300000356739	0	34	-2.0	-105.90	346.34	5.76	-100.14
CC1=C(S(=O)(=O)[N-]C2=CC=NC(SC3=CC=CC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000356740	0	37	-2.0	-103.73	357.70	5.86	-97.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=NC(SC3=CC=CC=N3)=C2)S1	REAL300000356741	0	34	-2.0	-99.30	346.95	5.85	-93.45
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=NC(SC3=CC=CC=N3)=C2)=C1	REAL300000356742	0	36	-2.0	-106.75	351.67	4.79	-101.96
NC(=O)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1	REAL300000356776	0	40	-2.0	-117.06	348.34	2.88	-114.18
CC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000356804	1	42	-2.0	-107.30	378.25	1.80	-105.50
CC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000356805	1	42	-2.0	-94.62	373.70	1.78	-92.84
CC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000356806	1	42	-2.0	-106.78	373.73	1.77	-105.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)CO)C=C2)C=C1C(=O)[O-]	REAL300000356807	1	45	-2.0	-108.80	393.81	2.42	-106.38
CC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000356808	0	42	-2.0	-107.72	379.20	1.83	-105.89
CC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000356809	0	39	-2.0	-104.31	366.90	0.79	-103.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)CO)C=C1	REAL300000356810	1	45	-2.0	-107.08	389.16	2.56	-104.52
CC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000356811	0	43	-2.0	-105.20	380.37	1.12	-104.08
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)CO)C=C2)=C1	REAL300000356812	0	42	-2.0	-97.38	382.83	1.45	-95.93
CC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000356813	0	39	-2.0	-105.86	365.37	0.81	-105.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)CO)C=C2)C=C(C(=O)[O-])O1	REAL300000356814	0	42	-2.0	-100.46	376.76	0.91	-99.55
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)CO)C=C2)C=C(C(=O)[O-])S1	REAL300000356815	0	42	-2.0	-103.76	382.35	1.68	-102.08
CC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000356816	1	42	-2.0	-94.31	378.26	1.81	-92.50
CC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000356817	0	39	-2.0	-96.25	365.98	0.90	-95.35
CC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000356818	1	42	-2.0	-97.76	380.13	1.83	-95.93
CC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000356819	0	42	-2.0	-96.74	379.18	1.84	-94.90
CC(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000356820	0	43	-2.0	-105.90	383.43	-0.51	-106.41
CC(CO)NC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000356820	1	43	-2.0	-111.32	382.66	0.30	-111.02
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COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=NNC=C2C=C1C	REAL300000356912	0	38	-2.0	-114.75	339.53	4.29	-110.46
CC1=CC2=CNN=C2C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000356913	0	31	-2.0	-110.73	311.42	3.47	-107.26
CC1=CC2=CNN=C2C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000356914	1	41	-2.0	-117.52	357.46	6.37	-111.15
CC1=CC2=CNN=C2C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000356915	1	41	-2.0	-118.97	355.42	6.35	-112.62
CCC1=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C=C2C)C=C(C(=O)[O-])O1	REAL300000356916	0	37	-2.0	-117.30	331.09	4.41	-112.89
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1F	REAL300000356917	1	38	-2.0	-84.14	348.87	4.30	-79.84
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1	REAL300000356919	0	39	-2.0	-101.29	352.02	6.80	-94.49
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=CC=C1F	REAL300000356920	0	31	-2.0	-97.39	308.82	6.42	-90.97
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000356922	1	31	-2.0	-102.05	292.40	5.71	-96.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1	REAL300000356923	0	35	-2.0	-107.65	320.54	5.51	-102.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=CC=C1F	REAL300000356924	1	31	-2.0	-97.60	308.64	6.20	-91.40
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1F	REAL300000356927	0	31	-2.0	-97.90	305.47	6.29	-91.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000356928	1	31	-2.0	-98.03	304.91	6.11	-91.92
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=CC=C1F	REAL300000356929	0	31	-2.0	-93.62	317.98	6.66	-86.96
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000356931	0	31	-2.0	-99.36	297.88	5.78	-93.58
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000356932	1	37	-2.0	-89.20	335.96	7.29	-81.91
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000356933	0	28	-2.0	-96.62	285.58	4.73	-91.89
CC1=CC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000356937	0	28	-2.0	-93.88	302.59	5.50	-88.38
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000356938	1	32	-2.0	-100.53	299.05	5.06	-95.47
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2)=C1	REAL300000356940	0	31	-2.0	-92.68	301.52	5.39	-87.29
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000356942	1	28	-2.0	-98.05	284.05	4.75	-93.30
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1F	REAL300000356946	1	40	-2.0	-105.54	346.30	7.72	-97.82
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1	REAL300000356948	0	38	-2.0	-107.94	342.83	6.28	-101.66
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000356949	0	34	-2.0	-106.98	323.27	6.27	-100.71
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000356949	1	33	-3.0	-175.78	320.80	6.28	-169.50
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000356951	0	31	-2.0	-96.42	295.41	4.85	-91.57
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2)=C1	REAL300000356953	0	35	-2.0	-103.09	321.38	4.80	-98.29
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000356955	1	31	-2.0	-91.81	320.08	6.57	-85.24
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1F	REAL300000356956	0	31	-2.0	-94.86	310.00	6.31	-88.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=CC=C1F	REAL300000356959	1	41	-2.0	-88.22	372.14	6.97	-81.25
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1F	REAL300000356960	1	34	-2.0	-94.01	313.11	6.53	-87.48
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CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000356964	1	31	-2.0	-99.87	301.00	5.60	-94.27
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=CC=C1F	REAL300000356965	0	31	-2.0	-91.76	320.62	6.73	-85.03
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1F	REAL300000356966	1	31	-2.0	-87.60	305.45	6.28	-81.32
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=CC=C1F	REAL300000356967	1	31	-2.0	-87.20	308.80	6.41	-80.79
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000356968	1	31	-2.0	-89.59	296.93	5.75	-83.84
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000356969	0	28	-2.0	-91.64	284.67	4.83	-86.81
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000356970	1	31	-2.0	-93.03	298.80	5.78	-87.25
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1F	REAL300000356971	0	34	-2.0	-100.71	318.16	6.42	-94.29
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000356972	0	35	-2.0	-92.26	332.71	6.33	-85.93
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000356973	0	31	-2.0	-89.23	297.86	5.79	-83.44
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1F	REAL300000356975	1	34	-2.0	-95.69	321.84	6.92	-88.77
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1F	REAL300000356976	1	39	-2.0	-86.98	356.14	7.13	-79.85
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000356978	1	31	-2.0	-91.45	303.23	5.81	-85.64
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000356979	1	33	-2.0	-87.30	320.59	6.38	-80.92
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000356980	0	32	-2.0	-102.32	302.12	3.43	-98.89
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000356980	1	32	-2.0	-101.82	301.30	4.21	-97.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000356981	1	34	-2.0	-93.67	314.56	6.49	-87.18
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000356982	1	31	-2.0	-92.83	313.11	6.25	-86.58
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300000356987	1	33	-2.0	-100.73	318.96	6.80	-93.93
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1F	REAL300000356988	0	31	-2.0	-91.06	304.15	5.84	-85.22
CC1=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=CC=C1F	REAL300000356989	0	28	-2.0	-89.50	304.98	5.40	-84.10
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1F	REAL300000356991	0	34	-2.0	-100.43	313.89	6.31	-94.12
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1F	REAL300000356992	0	34	-2.0	-99.64	324.16	6.85	-92.79
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2)=C1	REAL300000356993	0	34	-2.0	-106.50	317.43	6.41	-100.09
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000356996	1	34	-2.0	-92.45	322.93	6.97	-85.48
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000356998	1	34	-2.0	-99.71	323.62	6.67	-93.04
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000356999	1	31	-2.0	-94.90	313.69	6.33	-88.57
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2)C=C1C(=O)[O-]	REAL300000357000	1	35	-2.0	-101.81	320.42	5.93	-95.88
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CC=C1F	REAL300000357002	0	31	-2.0	-89.93	317.98	6.27	-83.66
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=CC=C1F	REAL300000357003	0	35	-2.0	-89.00	337.09	6.03	-82.97
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000357005	1	40	-2.0	-99.71	341.86	7.85	-91.86
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2)C=C1C(=O)[O-]	REAL300000357006	1	35	-2.0	-103.54	332.73	6.34	-97.20
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1F	REAL300000357008	0	36	-2.0	-94.91	335.66	7.91	-87.00
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1F	REAL300000357010	0	33	-2.0	-108.90	316.13	7.56	-101.34
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000357011	0	31	-2.0	-105.77	296.02	5.74	-100.03
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000357012	1	34	-2.0	-94.76	317.34	6.39	-88.37
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1F	REAL300000357013	1	37	-2.0	-110.21	333.44	7.83	-102.38
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000357014	0	30	-2.0	-99.61	288.62	3.84	-95.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1	REAL300000357015	0	35	-2.0	-94.15	320.60	5.51	-88.64
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000357016	0	28	-2.0	-90.33	292.55	4.69	-85.64
CC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=CC=C1F	REAL300000357018	0	34	-2.0	-93.22	335.74	2.75	-90.47
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1F	REAL300000357019	1	38	-2.0	-96.71	338.52	7.60	-89.11
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1F	REAL300000357020	1	38	-2.0	-99.62	337.83	7.60	-92.02
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000357021	0	34	-2.0	-96.46	314.53	5.70	-90.76
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC2=CC=CC=C2)=C1	REAL300000357022	0	40	-2.0	-125.70	376.13	8.32	-117.38
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC2=CC=CC=C2)C=C1	REAL300000357023	0	40	-2.0	-120.51	376.11	8.32	-112.19
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC1=CC=CC=C1	REAL300000357024	0	40	-2.0	-135.31	373.47	8.18	-127.13
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC1=CC=CC=C1	REAL300000357025	0	41	-2.0	-116.27	370.22	6.84	-109.43
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC2=CC=CC=C2)=C1	REAL300000357026	0	42	-2.0	-131.45	376.70	8.59	-122.86
O=C([O-])C1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C=CC2=CC=CC=C2)=C1	REAL300000357027	1	43	-2.0	-127.72	387.21	9.09	-118.63
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC2=CC=CC=C2)=C1	REAL300000357028	0	45	-2.0	-131.38	392.20	9.35	-122.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC2=CC=CC=C2)C=C1C	REAL300000357029	0	45	-2.0	-132.43	393.71	9.13	-123.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC2=CC=CC=C2)C(C)=C1	REAL300000357030	0	45	-2.0	-133.68	390.96	9.33	-124.35
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC1=CC=CC=C1	REAL300000357031	0	43	-2.0	-138.12	383.56	7.70	-130.42
O=C([O-])C1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000357032	0	36	-2.0	-127.67	347.23	6.93	-120.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC2=CC=CC=C2)C=C1	REAL300000357033	0	43	-2.0	-127.46	384.81	7.21	-120.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC2=CC=CC=C2)C=C1	REAL300000357034	0	42	-2.0	-130.69	376.71	8.59	-122.10
O=C([O-])C1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300000357035	0	39	-2.0	-126.31	361.70	7.98	-118.33
O=C([O-])C1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000357036	0	39	-2.0	-133.56	354.06	7.88	-125.68
CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC1=CC=CC=C1	REAL300000357037	1	32	-2.0	-124.97	295.82	4.73	-120.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC2=CC=CC=C2)S1	REAL300000357038	0	39	-2.0	-132.05	369.52	7.75	-124.30
COC(=O)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC1=CC=CC=C1	REAL300000357039	0	41	-2.0	-124.84	372.75	6.46	-118.38
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC2=CC=CC=C2)C=C1	REAL300000357040	0	45	-2.0	-130.07	398.20	9.36	-120.71
O=C([O-])C1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1	REAL300000357041	0	39	-2.0	-121.39	361.72	7.98	-113.41
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O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)=C1	REAL300000357154	0	34	-2.0	-99.87	339.26	2.47	-97.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2=CC=CC(O)=C2)N=C1	REAL300000357155	0	40	-2.0	-107.14	361.50	4.22	-102.92
CN1C=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)C=C1C(=O)[O-]	REAL300000357156	0	38	-2.0	-103.85	352.72	2.80	-101.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)=C1	REAL300000357157	0	37	-2.0	-95.91	355.19	3.13	-92.78
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)C=C1C(=O)[O-]	REAL300000357158	0	43	-2.0	-108.58	377.14	4.79	-103.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)=CS1	REAL300000357159	0	34	-2.0	-101.15	337.72	2.47	-98.68
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2=CC=CC(O)=C2)N=C1	REAL300000357160	0	43	-2.0	-105.97	376.22	5.17	-100.80
CC1=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000357161	0	37	-2.0	-100.00	349.08	2.59	-97.41
CC1=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000357162	0	37	-2.0	-103.62	354.67	3.33	-100.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)C=C1F	REAL300000357163	0	37	-2.0	-93.21	350.60	3.48	-89.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)S1	REAL300000357164	0	34	-2.0	-94.87	338.34	2.57	-92.30
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)=C1	REAL300000357165	0	37	-2.0	-96.54	352.48	3.51	-93.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)C(F)=C1	REAL300000357166	0	37	-2.0	-92.56	351.53	3.51	-89.05
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)=C1	REAL300000357167	0	38	-2.0	-106.23	355.79	1.15	-105.08
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)C=C1	REAL300000357168	0	40	-2.0	-97.03	368.24	4.23	-92.80
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C(C2=CC=CC(O)=C2)N=C1	REAL300000357169	0	40	-2.0	-101.39	356.14	4.08	-97.31
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C2=CC=CC(O)=C2)N=C1	REAL300000357170	0	40	-2.0	-93.93	361.48	4.22	-89.71
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000357171	0	43	-2.0	-109.56	383.57	4.64	-104.92
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000357172	0	43	-2.0	-105.50	380.55	4.82	-100.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)C=C1C(=O)[O-]	REAL300000357173	0	43	-2.0	-107.08	380.01	4.63	-102.45
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)C=C1C(=O)[O-]	REAL300000357174	0	41	-2.0	-105.07	374.09	3.66	-101.41
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000357175	0	40	-2.0	-93.48	362.08	3.99	-89.49
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)=C1F	REAL300000357176	0	37	-2.0	-108.78	349.69	3.47	-105.31
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)=C1	REAL300000357177	0	36	-2.0	-102.88	343.06	1.51	-101.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)=C(Cl)O1	REAL300000357178	0	34	-2.0	-93.70	346.22	2.43	-91.27
CCC1=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC(O)=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000357179	0	40	-2.0	-99.98	368.20	3.44	-96.54
CN(C1=CC=CC(OC(F)(F)F)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000357196	0	36	-2.0	-103.70	338.99	4.89	-98.81
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000357206	0	36	-2.0	-107.98	349.76	-2.23	-110.21
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000357207	0	36	-2.0	-107.83	342.90	-2.33	-110.16
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000357208	0	36	-2.0	-109.87	345.20	-2.26	-112.13
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O	REAL300000357209	0	40	-2.0	-113.58	373.34	-2.45	-116.03
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000357210	0	40	-2.0	-106.95	374.37	-1.05	-108.00
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000357211	0	39	-2.0	-110.77	361.25	-1.74	-112.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)=C1C	REAL300000357212	0	42	-2.0	-111.19	377.59	-0.97	-112.16
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000357213	0	36	-2.0	-106.09	350.68	-2.20	-108.29
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000357214	0	42	-2.0	-105.51	386.48	-0.75	-106.26
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000357215	0	33	-2.0	-104.98	338.40	-3.25	-108.23
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O	REAL300000357216	0	39	-2.0	-117.16	358.35	-1.57	-118.73
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000357217	0	40	-2.0	-97.50	376.27	-1.98	-99.48
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000357218	0	37	-2.0	-109.08	351.86	-2.91	-111.99
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O	REAL300000357219	0	40	-2.0	-110.08	369.41	-3.46	-113.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)=C1	REAL300000357220	0	36	-2.0	-110.68	352.03	-2.66	-113.34
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000357221	0	42	-2.0	-118.12	374.37	-1.02	-119.14
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000357222	0	33	-2.0	-107.36	336.85	-3.22	-110.58
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000357223	0	40	-2.0	-117.23	372.49	-2.19	-119.42
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O	REAL300000357224	0	42	-2.0	-107.30	375.34	-0.74	-108.04
CC1=C(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)C=C(C(=O)[O-])O1	REAL300000357225	0	36	-2.0	-111.97	345.92	-3.19	-115.16
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)=C1	REAL300000357226	0	40	-2.0	-113.94	374.11	-3.16	-117.10
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O	REAL300000357227	0	39	-2.0	-101.10	365.91	-1.47	-102.57
CC1=C(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)C=C(C(=O)[O-])S1	REAL300000357228	0	36	-2.0	-114.25	351.53	-2.44	-116.69
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000357229	0	36	-2.0	-97.21	358.25	-1.71	-98.92
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000357230	0	36	-2.0	-99.30	349.73	-2.22	-101.52
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000357231	0	33	-2.0	-109.53	335.17	-3.22	-112.75
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000357232	0	36	-2.0	-101.49	351.62	-2.19	-103.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)=C1F	REAL300000357233	0	39	-2.0	-107.37	370.96	-1.56	-108.93
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000357234	0	36	-2.0	-98.89	350.66	-2.19	-101.08
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000357235	0	36	-2.0	-97.14	357.70	-1.86	-99.00
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000357236	0	37	-2.0	-107.64	354.92	-4.53	-112.17
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000357236	1	36	-3.0	-202.56	351.35	-3.66	-206.22
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000357237	0	39	-2.0	-109.46	365.08	-1.56	-111.02
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O	REAL300000357238	0	39	-2.0	-118.12	352.98	-1.72	-119.84
CC1=CC(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)=CC(C(=O)[O-])=C1F	REAL300000357239	0	39	-2.0	-109.34	370.03	-1.61	-110.95
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O	REAL300000357240	0	39	-2.0	-99.57	360.20	-1.55	-101.12
CC1=CC(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)=CC(C(=O)[O-])=C1C	REAL300000357241	0	42	-2.0	-115.62	382.00	-1.09	-116.71
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)C(C)=C1C(=O)[O-]	REAL300000357242	0	42	-2.0	-113.19	378.59	-0.94	-114.13
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000357243	0	39	-2.0	-115.20	364.39	-1.74	-116.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)=C1	REAL300000357244	0	39	-2.0	-126.96	367.95	-1.65	-128.61
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000357245	0	42	-2.0	-111.30	379.49	-1.07	-112.37
CCN1C=C(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000357246	0	40	-2.0	-110.27	373.21	-2.05	-112.32
CC1=CC(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300000357247	0	39	-2.0	-99.57	361.22	-1.73	-101.30
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O	REAL300000357248	0	39	-2.0	-107.34	365.16	-1.45	-108.79
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000357249	0	36	-2.0	-126.12	346.57	-2.31	-128.43
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000357250	0	39	-2.0	-103.13	366.38	-1.69	-104.82
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000357251	0	35	-2.0	-106.04	342.19	-4.21	-110.25
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O	REAL300000357252	0	40	-2.0	-102.99	373.40	-2.45	-105.44
CC(NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000357253	0	33	-2.0	-106.97	343.05	-3.37	-110.34
CCC1=C(S(=O)(=O)[N-]NC(=O)C(C)NS(C)(=O)=O)C=C(C(=O)[O-])O1	REAL300000357254	0	39	-2.0	-111.36	365.07	-2.42	-113.78
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000357255	1	37	-2.0	-105.02	354.89	2.34	-102.68
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=C1C(=O)[O-]	REAL300000357257	0	37	-2.0	-116.89	352.14	2.23	-114.66
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C1	REAL300000357258	0	39	-2.0	-104.00	350.28	-0.21	-104.21
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C1	REAL300000357259	0	38	-2.0	-99.40	348.96	0.88	-98.52
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1C(=O)[O-]	REAL300000357265	0	33	-2.0	-106.76	325.95	0.96	-105.80
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300000357267	1	36	-2.0	-105.22	340.44	2.02	-103.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)S1	REAL300000357270	0	36	-2.0	-107.75	347.86	1.75	-106.00
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1C(=O)[O-]	REAL300000357274	0	36	-2.0	-113.24	339.54	2.01	-111.23
CN1C=C(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)C=N1	REAL300000357275	0	36	-2.0	-105.55	338.57	-0.34	-105.89
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000357277	0	33	-2.0	-103.24	315.61	-1.66	-104.90
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000357280	0	36	-2.0	-98.09	349.99	0.47	-97.62
CC1=NC(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)=CN1C	REAL300000357281	0	39	-2.0	-117.80	357.56	0.85	-116.95
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C1	REAL300000357283	0	36	-2.0	-103.85	334.45	-1.00	-104.85
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)=N1	REAL300000357286	0	36	-2.0	-113.76	338.88	-0.51	-114.27
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C1	REAL300000357287	0	36	-2.0	-100.81	334.26	-0.43	-101.24
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1C(=O)[O-]	REAL300000357292	0	33	-2.0	-113.92	315.34	-0.65	-114.57
CC1=C(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)SC=C1	REAL300000357294	0	36	-2.0	-109.22	344.80	1.58	-107.64
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)S1	REAL300000357305	0	35	-2.0	-104.45	342.57	-0.23	-104.68
CC1=CC(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)=C(C)O1	REAL300000357310	0	39	-2.0	-105.89	357.01	1.53	-104.36
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)O1	REAL300000357311	0	36	-2.0	-107.86	338.63	0.77	-107.09
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000357313	0	33	-2.0	-106.76	316.72	-0.05	-106.81
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C1	REAL300000357314	0	35	-2.0	-95.75	327.47	-1.58	-97.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)C(N)=NO1	REAL300000357319	0	37	-2.0	-98.81	340.45	-0.64	-99.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)C=N1	REAL300000357321	1	38	-2.0	-105.83	350.64	0.78	-105.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000357324	0	39	-2.0	-101.63	350.91	0.41	-101.22
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C=C1C(=O)[O-]	REAL300000357325	0	34	-2.0	-100.34	337.97	0.49	-99.85
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1C(=O)[O-]	REAL300000357326	1	33	-2.0	-104.75	325.14	0.86	-103.89
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1C(=O)[O-]	REAL300000357327	0	33	-2.0	-105.15	316.57	-0.16	-105.31
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)=C1	REAL300000357328	0	36	-2.0	-106.86	347.60	1.62	-105.24
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1C(=O)[O-]	REAL300000357329	0	33	-2.0	-104.50	332.32	-1.24	-105.74
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)=C1	REAL300000357330	0	35	-2.0	-101.30	342.52	0.25	-101.05
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1C(=O)[O-]	REAL300000357332	0	33	-2.0	-108.45	332.30	0.99	-107.46
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1C(=O)[O-]	REAL300000357335	0	33	-2.0	-108.95	315.66	-1.47	-110.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)C=NN1C	REAL300000357338	0	39	-2.0	-105.79	354.67	0.18	-105.61
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C1	REAL300000357340	0	39	-2.0	-106.70	357.41	0.31	-106.39
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000357341	0	36	-2.0	-99.12	349.92	0.54	-98.58
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C1	REAL300000357346	0	35	-2.0	-99.31	332.79	-0.15	-99.46
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1C(=O)[O-]	REAL300000357347	0	35	-2.0	-111.15	334.53	0.14	-111.01
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000357349	1	35	-2.0	-98.79	335.45	0.10	-98.69
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)N1C	REAL300000357352	0	39	-2.0	-105.56	353.20	0.99	-104.57
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C=C1C(=O)[O-]	REAL300000357354	0	36	-2.0	-101.10	339.25	-0.69	-101.79
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1C(=O)[O-]	REAL300000357355	0	32	-2.0	-101.08	320.76	-0.34	-101.42
CN1C=C(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)N=N1	REAL300000357356	0	35	-2.0	-109.52	332.82	-1.73	-111.25
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C1	REAL300000357357	0	38	-2.0	-96.80	347.95	-0.71	-97.51
CC1=C(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)N=CN1	REAL300000357358	0	36	-2.0	-117.47	334.42	-0.03	-117.50
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)=C1	REAL300000357361	0	39	-2.0	-101.65	356.20	0.17	-101.48
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)O1	REAL300000357364	0	39	-2.0	-107.76	360.12	1.55	-106.21
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)=N1	REAL300000357365	0	38	-2.0	-105.84	354.73	-1.18	-107.02
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1C(=O)[O-]	REAL300000357366	0	33	-2.0	-101.95	333.78	0.57	-101.38
CC1=COC(S(=O)(=O)[N-]C2=CC=C(NS(C)(=O)=O)C(C(=O)[O-])=C2)=C1	REAL300000357367	0	36	-2.0	-107.10	338.62	0.62	-106.48
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C=C1C(=O)[O-]	REAL300000357368	0	34	-2.0	-107.87	335.85	0.41	-107.46
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1C(=O)[O-]	REAL300000357369	0	33	-2.0	-104.62	332.83	0.46	-104.16
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C=C1C(=O)[O-]	REAL300000357370	0	34	-2.0	-108.58	337.01	0.36	-108.22
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1C(=O)[O-]	REAL300000357372	0	32	-2.0	-98.99	319.67	-0.45	-99.44
CS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1C(=O)[O-]	REAL300000357373	0	32	-2.0	-103.33	320.60	-0.93	-104.26
NC(=O)CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000357374	1	42	-2.0	-111.21	381.29	0.94	-110.27
NC(=O)CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000357375	1	42	-2.0	-123.57	381.29	0.93	-122.64
NC(=O)CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000357376	0	39	-2.0	-117.90	374.47	-0.05	-117.95
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000357377	0	43	-2.0	-122.12	387.94	0.28	-121.84
NC(=O)CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000357378	0	39	-2.0	-119.35	372.94	-0.03	-119.38
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCCC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000357379	0	42	-2.0	-116.61	384.30	0.07	-116.54
NC(=O)CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000357380	0	39	-2.0	-112.95	373.56	0.05	-112.90
NC(=O)CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000357381	0	41	-2.0	-119.06	378.28	-1.02	-120.08
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000357382	0	37	-2.0	-113.09	350.07	7.10	-105.99
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000357383	0	37	-2.0	-103.18	345.54	7.08	-96.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=NN1C1=CC=CC=N1	REAL300000357385	0	41	-2.0	-121.73	373.69	6.88	-114.85
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000357386	0	41	-2.0	-102.73	377.00	8.35	-94.38
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000357387	0	40	-2.0	-117.20	361.56	7.60	-109.60
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000357388	0	37	-2.0	-111.55	358.62	7.65	-103.90
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000357389	0	37	-2.0	-111.56	358.04	7.46	-104.10
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000357392	0	43	-2.0	-102.24	389.13	8.66	-93.58
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000357393	0	34	-2.0	-110.54	338.73	6.08	-104.46
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000357394	0	40	-2.0	-116.65	360.97	7.85	-108.80
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000357395	0	41	-2.0	-101.43	376.62	7.34	-94.09
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000357396	0	38	-2.0	-114.87	352.19	6.42	-108.45
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000357397	0	41	-2.0	-116.80	369.74	5.88	-110.92
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000357398	0	37	-2.0	-105.98	354.65	6.75	-99.23
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000357399	0	43	-2.0	-118.03	377.00	8.39	-109.64
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000357400	0	34	-2.0	-111.46	337.19	6.10	-105.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=NN2C2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000357401	0	41	-2.0	-121.63	372.82	7.14	-114.49
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=NN1C1=CC=CC=N1	REAL300000357402	0	43	-2.0	-113.88	375.06	8.85	-105.03
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000357403	0	44	-2.0	-121.14	389.79	8.97	-112.17
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000357404	0	37	-2.0	-109.24	348.55	6.22	-103.02
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000357405	0	41	-2.0	-117.08	374.46	6.17	-110.91
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000357406	0	40	-2.0	-106.97	366.25	7.89	-99.08
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000357407	0	37	-2.0	-112.82	355.23	6.96	-105.86
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000357408	0	37	-2.0	-100.49	358.59	7.64	-92.85
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000357409	0	37	-2.0	-102.44	350.05	7.11	-95.33
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000357410	0	34	-2.0	-104.81	337.80	6.20	-98.61
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000357411	0	37	-2.0	-106.65	351.94	7.14	-99.51
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000357412	0	40	-2.0	-115.13	371.30	7.77	-107.36
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000357413	0	37	-2.0	-102.78	351.01	7.14	-95.64
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000357414	0	37	-2.0	-100.62	358.02	7.47	-93.15
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000357415	0	37	-2.0	-105.25	356.35	7.16	-98.09
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000357416	0	37	-3.0	-214.40	351.69	5.67	-208.73
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000357416	1	38	-2.0	-115.13	355.24	4.80	-110.33
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000357417	0	40	-2.0	-106.97	367.73	7.85	-99.12
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000357418	0	40	-2.0	-112.04	355.58	7.72	-104.32
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000357419	0	40	-2.0	-114.38	370.37	7.72	-106.66
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000357420	0	40	-2.0	-102.94	360.95	7.84	-95.10
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000357421	0	43	-2.0	-119.99	378.41	8.14	-111.85
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000357422	0	37	-2.0	-105.15	357.27	7.20	-97.95
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000357423	0	43	-2.0	-116.09	380.02	8.46	-107.63
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000357424	0	40	-2.0	-115.94	370.86	7.77	-108.17
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000357425	0	40	-2.0	-120.86	370.57	7.76	-113.10
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=NN2C2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000357426	0	43	-2.0	-117.73	379.87	8.26	-109.47
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=NN2C2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000357427	0	41	-2.0	-116.10	373.49	7.27	-108.83
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000357428	0	40	-2.0	-103.27	361.54	7.61	-95.66
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000357429	0	40	-2.0	-113.68	365.49	7.88	-105.80
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000357430	0	37	-2.0	-120.17	349.18	7.10	-113.07
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000357431	0	40	-2.0	-108.25	366.70	7.64	-100.61
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000357432	0	36	-2.0	-112.98	342.52	5.13	-107.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=NN1C1=CC=CC=N1	REAL300000357433	0	41	-2.0	-107.39	373.74	6.88	-100.51
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000357434	0	34	-2.0	-103.30	345.64	6.05	-97.25
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000357435	0	44	-2.0	-109.97	391.66	8.96	-101.01
CC1=NN(C2=CC=CC=N2)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000357436	0	44	-2.0	-112.30	389.62	8.94	-103.36
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=NN2C2=CC=CC=N2)C=C(C(=O)[O-])O1	REAL300000357437	0	40	-2.0	-108.43	367.67	7.07	-101.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC(F)F)=C2)C=C1	REAL300000357438	0	36	-2.0	-102.19	345.53	3.46	-98.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300000357439	0	36	-2.0	-114.01	345.54	3.44	-110.57
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300000357440	0	33	-2.0	-108.50	338.73	2.48	-106.02
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000357441	0	37	-2.0	-112.89	352.19	2.80	-110.09
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC(F)F)=C2)=CS1	REAL300000357442	0	33	-2.0	-109.96	337.19	2.48	-107.48
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000357443	0	36	-2.0	-107.00	348.55	2.59	-104.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC(F)F)=C2)S1	REAL300000357444	0	33	-2.0	-103.65	337.81	2.57	-101.08
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300000357445	0	35	-2.0	-111.56	341.77	1.58	-109.98
O=C([O-])C1=CC=C(OC2=CC=C(Cl)C=C2)C([N-]S(=O)(=O)C2=CNN=C2)=C1	REAL300000357446	0	36	-2.0	-116.96	353.61	4.84	-112.12
COCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC1=CC=C(Cl)C=C1	REAL300000357447	0	39	-2.0	-116.35	368.88	5.24	-111.11
O=C([O-])C1=CC=C(OC2=CC=C(Cl)C=C2)C([N-]S(=O)(=O)C2=CNC=N2)=C1	REAL300000357448	0	36	-2.0	-129.49	353.46	5.82	-123.67
O=C([O-])C1=CC=C(OC2=CC=C(Cl)C=C2)C([N-]S(=O)(=O)C2=CC=CO2)=C1	REAL300000357449	0	36	-2.0	-122.06	354.67	6.43	-115.63
COC(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC1=CC=C(Cl)C=C1	REAL300000357450	0	42	-2.0	-123.88	387.54	6.41	-117.47
O=C([O-])C1=CC=C(OC2=CC=C(Cl)C=C2)C([N-]S(=O)(=O)C2=COC=C2)=C1	REAL300000357451	0	36	-2.0	-120.54	354.56	6.33	-114.21
O=C([O-])C1=CC=C(OC2=CC=C(Cl)C=C2)C([N-]S(=O)(=O)C2=NC=CN2)=C1	REAL300000357452	0	36	-2.0	-123.37	353.69	5.02	-118.35
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000357453	0	38	-2.0	-100.92	357.83	4.94	-95.98
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000357454	0	38	-2.0	-113.51	357.85	4.93	-108.58
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000357455	0	41	-2.0	-114.83	373.87	5.46	-109.37
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000357456	0	35	-2.0	-107.96	351.04	3.94	-104.02
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000357457	0	41	-2.0	-112.53	373.29	5.72	-106.81
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000357458	0	39	-2.0	-112.08	364.50	4.28	-107.80
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000357459	0	35	-2.0	-109.27	349.50	3.96	-105.31
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000357460	0	38	-2.0	-106.35	360.86	4.06	-102.29
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000357461	0	35	-2.0	-102.79	350.11	4.06	-98.73
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000357462	0	39	-2.0	-110.52	367.57	2.63	-107.89
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000357463	0	41	-2.0	-103.41	380.02	5.71	-97.70
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000357464	0	41	-2.0	-110.82	367.88	5.58	-105.24
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000357465	0	41	-2.0	-100.60	373.27	5.71	-94.89
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000357466	0	42	-2.0	-113.34	385.88	5.15	-108.19
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000357467	0	41	-2.0	-102.72	377.92	5.58	-97.14
CCNC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000357468	0	37	-2.0	-111.65	354.06	3.05	-108.60
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=C(Cl)C=CC(F)=C32)=C1	REAL300000357495	0	36	-2.0	-112.21	323.86	6.14	-106.07
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000357509	1	35	-2.0	-99.96	341.98	4.61	-95.35
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000357510	1	35	-2.0	-89.76	336.89	4.58	-85.18
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000357511	0	35	-2.0	-102.16	336.90	4.57	-97.59
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1NC(C)=O	REAL300000357512	0	39	-2.0	-106.44	365.88	4.36	-102.08
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000357513	0	39	-2.0	-89.83	368.36	5.87	-83.96
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000357514	1	38	-2.0	-101.36	352.39	5.10	-96.26
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000357515	0	41	-2.0	-104.06	370.84	5.90	-98.16
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000357516	0	35	-2.0	-98.61	342.92	4.64	-93.97
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000357517	0	41	-2.0	-89.13	380.48	6.16	-82.97
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000357518	0	32	-2.0	-96.55	329.82	3.60	-92.95
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000357519	0	38	-2.0	-102.42	353.16	5.35	-97.07
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000357520	1	39	-2.0	-88.55	367.98	4.85	-83.70
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000357521	0	36	-2.0	-100.36	343.56	3.92	-96.44
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000357522	1	39	-2.0	-103.31	361.53	3.40	-99.91
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000357523	0	35	-2.0	-91.76	346.05	4.26	-87.50
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000357524	1	41	-2.0	-104.62	371.80	5.99	-98.63
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000357525	0	32	-2.0	-96.70	328.57	3.61	-93.09
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000357526	1	39	-2.0	-107.96	364.19	4.65	-103.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1NC(C)=O	REAL300000357527	0	41	-2.0	-100.93	367.58	6.29	-94.64
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000357528	0	35	-2.0	-97.08	339.62	3.73	-93.35
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000357529	0	39	-2.0	-102.19	366.70	3.66	-98.53
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000357530	0	35	-2.0	-100.83	345.52	4.48	-96.35
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000357531	0	35	-2.0	-89.38	341.45	4.62	-84.76
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000357532	0	32	-2.0	-90.84	329.17	3.70	-87.14
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000357533	0	35	-2.0	-91.99	343.33	4.63	-87.36
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000357534	0	35	-2.0	-88.54	342.37	4.66	-83.88
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000357535	0	36	-2.0	-101.83	347.46	2.26	-99.57
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000357536	0	38	-2.0	-93.53	359.08	5.35	-88.18
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000357537	0	38	-2.0	-96.90	346.11	5.22	-91.68
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000357538	1	38	-2.0	-89.87	352.87	5.35	-84.52
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000357539	1	41	-2.0	-102.76	370.19	5.62	-97.14
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000357540	1	41	-2.0	-101.30	371.26	5.96	-95.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000357541	1	41	-2.0	-101.97	371.42	5.79	-96.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000357542	0	39	-2.0	-101.51	364.92	4.80	-96.71
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000357543	1	38	-2.0	-91.15	357.01	5.16	-85.99
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000357544	0	35	-2.0	-102.97	340.26	4.62	-98.35
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000357545	0	34	-2.0	-98.18	333.11	2.70	-95.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1NC(C)=O	REAL300000357546	0	39	-2.0	-93.62	364.83	4.39	-89.23
CC(=O)NC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000357547	0	32	-2.0	-90.48	337.00	3.56	-86.92
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2NC(C)=O)C=C(C(=O)[O-])O1	REAL300000357548	0	38	-2.0	-95.54	359.85	4.56	-90.98
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=CC(Cl)=CC(F)=C32)=C1	REAL300000357575	0	36	-2.0	-115.54	326.41	6.22	-109.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)=CC=C1F	REAL300000357589	0	38	-2.0	-117.88	356.96	5.84	-112.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)C=C1	REAL300000357590	0	38	-2.0	-106.85	352.42	5.82	-101.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)=C1	REAL300000357591	0	38	-2.0	-120.92	352.43	5.81	-115.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)C=C1C(=O)[O-]	REAL300000357592	0	41	-2.0	-122.29	368.45	6.35	-115.94
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)=C1	REAL300000357593	0	38	-2.0	-119.03	357.90	5.87	-113.16
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)=C1	REAL300000357594	0	35	-2.0	-114.61	345.62	4.83	-109.78
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C(=O)CCC1=O	REAL300000357595	0	41	-2.0	-121.92	367.86	6.60	-115.32
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)C=C1C(=O)[O-]	REAL300000357596	0	39	-2.0	-118.43	359.07	5.16	-113.27
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)=C1	REAL300000357597	0	38	-2.0	-110.06	361.54	5.49	-104.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)=CS1	REAL300000357598	0	35	-2.0	-116.11	344.08	4.85	-111.26
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)C=C(C(=O)[O-])O1	REAL300000357599	0	38	-2.0	-113.59	355.44	4.95	-108.64
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)C=C(C(=O)[O-])S1	REAL300000357600	0	38	-2.0	-117.82	361.06	5.71	-112.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)C=C1F	REAL300000357601	0	38	-2.0	-106.13	356.94	5.85	-100.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)S1	REAL300000357602	0	35	-2.0	-108.86	344.69	4.94	-103.92
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)=C1	REAL300000357603	0	38	-2.0	-111.41	358.84	5.88	-105.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)C(F)=C1	REAL300000357604	0	38	-2.0	-106.58	357.89	5.89	-100.69
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)=C1	REAL300000357605	0	39	-2.0	-121.11	362.14	3.53	-117.58
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)C=C1	REAL300000357606	0	41	-2.0	-112.04	374.61	6.59	-105.45
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C(=O)CCC1=O	REAL300000357607	0	41	-2.0	-115.41	362.47	6.44	-108.97
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C(=O)CCC1=O	REAL300000357608	1	41	-2.0	-106.48	367.85	6.60	-99.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)C=C1C(=O)[O-]	REAL300000357609	0	42	-2.0	-119.71	380.45	6.03	-113.68
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)=CC=C1C(=O)[O-]	REAL300000357610	0	41	-2.0	-107.01	368.44	6.36	-100.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)=C1F	REAL300000357611	0	38	-2.0	-124.04	356.07	5.84	-118.20
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)=C1	REAL300000357612	0	37	-2.0	-119.19	349.42	3.87	-115.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)=C(Cl)O1	REAL300000357613	0	35	-2.0	-107.42	352.53	4.78	-102.64
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C(=O)CCC2=O)C=C(C(=O)[O-])O1	REAL300000357614	0	41	-2.0	-112.86	374.27	5.77	-107.09
CC1=CC(OC2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000357618	0	39	-2.0	-101.38	367.49	7.62	-93.76
CC1=CC(OC2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000357620	1	43	-2.0	-105.52	380.94	7.97	-97.55
CC1=CC(OC2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000357621	1	39	-2.0	-102.91	365.94	7.65	-95.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C)C=C(C(=O)[O-])O1	REAL300000357622	0	42	-2.0	-100.84	377.30	7.74	-93.10
CC1=CC(OC2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000357623	0	39	-2.0	-97.55	368.27	7.80	-89.75
CC1=CC(OC2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000357624	0	43	-2.0	-107.65	384.02	6.31	-101.34
CC1=CC(OC2=CC=CC=C2)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000357624	1	43	-2.0	-107.13	378.41	7.20	-99.93
CC1=CC(OC2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000357629	0	41	-2.0	-104.76	370.51	6.73	-98.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=CC=C1F	REAL300000357630	1	34	-2.0	-109.77	325.28	5.91	-103.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1	REAL300000357631	1	34	-2.0	-99.89	320.73	5.89	-94.00
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357632	1	34	-2.0	-112.23	320.76	5.88	-106.35
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1	REAL300000357633	0	38	-2.0	-117.80	348.89	5.68	-112.12
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1	REAL300000357634	1	38	-2.0	-99.48	352.21	7.17	-92.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1C(=O)[O-]	REAL300000357635	1	37	-2.0	-114.75	340.83	6.53	-108.22
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357636	0	34	-2.0	-108.00	333.82	6.45	-101.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=CC=C1Cl	REAL300000357637	1	34	-2.0	-108.14	333.25	6.27	-101.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1C	REAL300000357638	1	40	-2.0	-115.39	353.41	7.23	-108.16
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357639	0	34	-2.0	-109.47	326.23	5.94	-103.53
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1	REAL300000357640	1	40	-2.0	-99.12	364.31	7.47	-91.65
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357641	0	31	-2.0	-106.50	313.93	4.89	-101.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1	REAL300000357642	1	37	-2.0	-113.38	336.18	6.68	-106.70
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1	REAL300000357643	1	38	-2.0	-98.44	351.82	6.16	-92.28
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1C(=O)[O-]	REAL300000357644	0	35	-2.0	-110.59	327.40	5.23	-105.36
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1	REAL300000357645	1	38	-2.0	-114.04	344.54	4.72	-109.32
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357646	0	34	-2.0	-102.66	329.88	5.56	-97.10
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1C(=O)[O-]	REAL300000357647	1	40	-2.0	-115.92	356.20	7.31	-108.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=CS1	REAL300000357648	0	31	-2.0	-108.26	312.40	4.91	-103.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1C(=O)[O-]	REAL300000357649	1	38	-2.0	-118.07	348.04	5.95	-112.12
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357650	1	44	-2.0	-117.07	375.98	8.51	-108.56
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1	REAL300000357651	1	43	-2.0	-115.55	374.65	7.90	-107.65
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1	REAL300000357652	1	40	-2.0	-111.83	350.89	7.60	-104.23
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1	REAL300000357653	0	41	-2.0	-118.22	371.18	6.43	-111.79
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357654	0	37	-2.0	-116.09	351.86	6.39	-109.70
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357654	1	36	-3.0	-187.72	349.15	6.44	-181.28
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357655	1	41	-2.0	-117.41	365.00	7.78	-109.63
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000357656	0	34	-2.0	-106.24	323.78	5.02	-101.22
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357657	0	38	-2.0	-113.40	349.73	4.97	-108.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C(Cl)C=C1F	REAL300000357658	0	34	-2.0	-104.71	338.33	6.46	-98.25
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=CC=C1OCC(=O)[O-]	REAL300000357659	1	41	-2.0	-98.55	371.90	6.87	-91.68
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1	REAL300000357660	1	37	-2.0	-103.92	341.45	6.70	-97.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1F	REAL300000357661	1	38	-2.0	-97.66	358.04	6.23	-91.43
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1C(=O)[O-]	REAL300000357662	1	41	-2.0	-118.79	369.88	6.85	-111.94
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000357663	0	34	-2.0	-109.71	329.35	5.78	-103.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C(Cl)=C1	REAL300000357664	0	34	-2.0	-97.52	333.80	6.44	-91.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1F	REAL300000357665	1	34	-2.0	-99.37	325.28	5.92	-93.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)S1	REAL300000357666	0	31	-2.0	-101.46	313.01	5.01	-96.45
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357667	1	34	-2.0	-103.10	327.16	5.95	-97.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1F	REAL300000357668	0	37	-2.0	-110.86	346.52	6.58	-104.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C(F)=C1	REAL300000357669	0	34	-2.0	-99.19	326.21	5.95	-93.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1Cl	REAL300000357670	1	34	-2.0	-97.40	333.25	6.28	-91.12
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1	REAL300000357671	1	37	-2.0	-105.59	350.19	7.09	-98.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=CC(F)=C1F	REAL300000357672	1	34	-2.0	-101.29	331.58	5.97	-95.32
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357673	0	36	-2.0	-97.54	348.94	6.55	-90.99
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357674	0	35	-2.0	-112.30	330.46	3.59	-108.71
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357674	1	35	-2.0	-111.47	329.68	4.39	-107.08
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1	REAL300000357675	1	37	-2.0	-103.75	342.91	6.66	-97.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=CC(Cl)=C1F	REAL300000357676	1	34	-2.0	-102.70	341.46	6.41	-96.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1	REAL300000357677	1	37	-2.0	-109.60	334.58	6.63	-102.97
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000357678	1	37	-2.0	-111.07	345.58	6.53	-104.54
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1	REAL300000357679	1	37	-2.0	-100.22	336.16	6.66	-93.56
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000357680	1	40	-2.0	-116.57	358.24	7.08	-109.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000357681	0	36	-2.0	-110.54	347.32	6.97	-103.57
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357682	0	34	-2.0	-101.07	332.49	6.00	-95.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C(C)=C1C(=O)[O-]	REAL300000357683	1	40	-2.0	-112.80	354.75	7.26	-105.54
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1C(=O)[O-]	REAL300000357684	0	37	-2.0	-110.57	342.22	6.48	-104.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1Cl	REAL300000357685	0	37	-2.0	-109.72	352.49	7.02	-102.70
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1	REAL300000357686	0	37	-2.0	-117.23	345.78	6.57	-110.66
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1C(=O)[O-]	REAL300000357687	1	40	-2.0	-113.97	355.03	7.07	-106.90
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1CC(=O)[O-]	REAL300000357688	1	41	-2.0	-114.60	371.22	6.01	-108.59
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1	REAL300000357689	1	37	-2.0	-101.73	347.01	7.06	-94.67
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000357690	1	37	-2.0	-109.82	351.97	6.85	-102.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1C(=O)[O-]	REAL300000357691	0	38	-2.0	-111.95	348.77	6.10	-105.85
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1C(=O)[O-]	REAL300000357692	1	37	-2.0	-106.74	354.53	6.95	-99.79
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=CC=C1C(=O)[O-]	REAL300000357693	1	37	-2.0	-100.00	336.75	6.42	-93.58
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1	REAL300000357694	1	37	-2.0	-110.75	340.70	6.70	-104.05
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1[N+](=O)[O-]	REAL300000357695	0	36	-2.0	-119.55	344.47	7.74	-111.81
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=C1F	REAL300000357696	0	34	-2.0	-116.32	324.36	5.90	-110.42
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C1C(=O)[O-]	REAL300000357697	1	37	-2.0	-104.91	345.71	6.56	-98.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)=CC2=CC=CC=C21	REAL300000357698	1	40	-2.0	-120.42	361.79	8.00	-112.42
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COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1	REAL300000357700	0	38	-2.0	-104.10	348.95	5.68	-98.42
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CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000357704	0	37	-2.0	-106.23	342.87	5.87	-100.36
CCOC(=O)C1=CC=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000357738	0	41	-2.0	-114.88	361.77	7.24	-107.64
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O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1	REAL300000357759	0	39	-2.0	-100.45	362.16	2.62	-97.83
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=CC=C1	REAL300000357760	0	39	-2.0	-112.92	362.16	2.61	-110.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CCC1=CC=CC=C1O	REAL300000357761	0	43	-2.0	-116.43	390.31	2.42	-114.01
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1	REAL300000357762	0	43	-2.0	-99.57	393.63	3.91	-95.66
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1C(=O)[O-]	REAL300000357763	0	42	-2.0	-113.70	378.22	3.15	-110.55
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=C1	REAL300000357764	0	39	-2.0	-107.18	375.23	3.17	-104.01
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=CC=C1Cl	REAL300000357765	0	39	-2.0	-108.98	374.67	3.01	-105.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=C1C	REAL300000357766	0	45	-2.0	-113.70	394.57	3.91	-109.79
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O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1	REAL300000357768	0	45	-2.0	-98.64	405.74	4.20	-94.44
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CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CCC1=CC=CC=C1O	REAL300000357770	0	42	-2.0	-111.92	377.59	3.38	-108.54
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1	REAL300000357771	0	43	-2.0	-98.47	393.24	2.90	-95.57
CN1C=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1C(=O)[O-]	REAL300000357772	0	40	-2.0	-111.35	368.82	1.97	-109.38
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CCC1=CC=CC=C1O	REAL300000357773	0	43	-2.0	-112.81	386.37	1.42	-111.39
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=C1	REAL300000357774	0	39	-2.0	-102.93	371.29	2.30	-100.63
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1C(=O)[O-]	REAL300000357775	0	45	-2.0	-113.24	393.24	3.88	-109.36
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COC1=CC=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1C(=O)[O-]	REAL300000357777	0	43	-2.0	-118.11	389.47	2.68	-115.43
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CCC1=CC=CC=C1O	REAL300000357778	0	45	-2.0	-109.72	392.32	4.14	-105.58
CC1=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C(C(=O)[O-])O1	REAL300000357779	0	39	-2.0	-106.08	365.17	1.76	-104.32
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=C1	REAL300000357780	0	43	-2.0	-113.77	391.16	1.72	-112.05
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CCC1=CC=CC=C1O	REAL300000357781	0	42	-2.0	-103.02	382.88	3.42	-99.60
CC1=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C(C(=O)[O-])S1	REAL300000357782	0	39	-2.0	-108.64	370.78	2.51	-106.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C(Cl)=C1	REAL300000357783	0	39	-2.0	-98.04	375.23	3.16	-94.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1F	REAL300000357784	0	39	-2.0	-100.11	366.70	2.65	-97.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)S1	REAL300000357785	0	36	-2.0	-102.44	354.44	1.74	-100.70
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=CC(F)=C1	REAL300000357786	0	39	-2.0	-104.11	368.57	2.68	-101.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=C1F	REAL300000357787	0	42	-2.0	-109.88	387.93	3.32	-106.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C(F)=C1	REAL300000357788	0	39	-2.0	-99.78	367.64	2.69	-97.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1Cl	REAL300000357789	0	39	-2.0	-98.04	374.67	3.02	-95.02
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=C1	REAL300000357790	0	40	-2.0	-109.88	371.88	0.34	-109.54
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=C1	REAL300000357790	1	39	-3.0	-207.69	368.31	1.22	-206.47
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1	REAL300000357791	0	42	-2.0	-102.68	384.34	3.40	-99.28
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)CCC1=CC=CC=C1O	REAL300000357792	0	42	-2.0	-110.50	372.23	3.24	-107.26
CC1=CC(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=CC(C(=O)[O-])=C1F	REAL300000357793	0	42	-2.0	-112.22	387.00	3.26	-108.96
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CCC1=CC=CC=C1O	REAL300000357794	0	42	-2.0	-100.38	377.58	3.37	-97.01
CC1=CC(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=CC(C(=O)[O-])=C1C	REAL300000357795	0	45	-2.0	-117.19	398.97	3.78	-113.41
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C(C)=C1C(=O)[O-]	REAL300000357796	0	45	-2.0	-114.74	396.64	4.00	-110.74
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1C(=O)[O-]	REAL300000357797	0	42	-2.0	-109.62	383.64	3.21	-106.41
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=C1	REAL300000357798	0	42	-2.0	-118.40	387.21	3.31	-115.09
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1C(=O)[O-]	REAL300000357799	0	45	-2.0	-114.65	396.10	3.80	-110.85
CCN1C=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1C(=O)[O-]	REAL300000357800	0	43	-2.0	-112.70	390.20	2.84	-109.86
CC1=CC(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=CC=C1C(=O)[O-]	REAL300000357801	0	42	-2.0	-101.13	378.17	3.16	-97.97
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CCC1=CC=CC=C1O	REAL300000357802	0	42	-2.0	-109.65	382.12	3.42	-106.23
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=CC=C1	REAL300000357803	0	39	-2.0	-118.27	365.78	2.64	-115.63
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C1C(=O)[O-]	REAL300000357804	0	42	-2.0	-105.82	387.10	3.29	-102.53
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=C1	REAL300000357805	0	38	-2.0	-110.03	358.39	0.75	-109.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CCC1=CC=CC=C1O	REAL300000357806	0	43	-2.0	-104.36	390.38	2.42	-101.94
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)=C(Cl)O1	REAL300000357807	0	36	-2.0	-100.10	362.32	1.60	-98.50
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)CCC2=CC=CC=C2O)=C(Cl)O1	REAL300000357807	1	35	-3.0	-198.90	359.13	0.80	-198.10
CCC1=C(S(=O)(=O)[N-]NC(=O)CCC2=CC=CC=C2O)C=C(C(=O)[O-])O1	REAL300000357808	0	42	-2.0	-105.73	384.29	2.54	-103.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C2=CC=C(F)C=C2)C=C1	REAL300000357809	1	38	-2.0	-89.04	356.89	8.94	-80.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C2=CC=C(F)C=C2)=C1	REAL300000357810	1	38	-2.0	-101.29	356.92	8.93	-92.36
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C2=CC=C(F)C=C2)=C1	REAL300000357811	0	35	-2.0	-95.81	350.09	7.95	-87.86
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300000357812	0	39	-2.0	-99.61	363.56	8.28	-91.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C2=CC=C(F)C=C2)=CS1	REAL300000357813	0	35	-2.0	-97.10	348.57	7.96	-89.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C2=CC=C(F)C=C2)C=C(C(=O)[O-])O1	REAL300000357814	0	38	-2.0	-95.73	359.93	8.07	-87.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C2=CC=C(F)C=C2)S1	REAL300000357815	0	35	-2.0	-90.61	349.16	8.06	-82.55
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C2=CC=C(F)C=C2)=C1	REAL300000357816	0	37	-2.0	-97.84	353.88	6.98	-90.86
CC1=NN=NN1C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000357821	1	36	-2.0	-109.15	340.29	5.25	-103.90
CC1=NN=NN1C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000357822	0	33	-2.0	-107.16	328.00	4.22	-102.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(N3N=NN=C3C)=CC=C2F)=C1	REAL300000357825	1	36	-2.0	-102.86	343.94	4.88	-97.98
CC1=NN=NN1C1=CC=C(F)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000357827	1	36	-2.0	-106.49	337.83	4.34	-102.15
CC1=NN=NN1C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000357830	1	33	-2.0	-101.69	327.07	4.33	-97.36
CC1=NN=NN1C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000357832	1	36	-2.0	-99.54	340.28	5.26	-94.28
CC1=NN=NN1C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000357833	0	37	-2.0	-113.29	343.37	3.67	-109.62
CC1=NN=NN1C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000357839	1	36	-2.0	-116.42	338.45	5.21	-111.21
CC1=NN=NN1C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000357840	0	35	-2.0	-109.70	331.02	3.33	-106.37
CCC1=C(S(=O)(=O)[N-]C2=CC(N3N=NN=C3C)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000357841	1	39	-2.0	-106.19	356.93	5.19	-101.00
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000357842	1	37	-2.0	-100.58	340.72	6.23	-94.35
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300000357843	1	37	-2.0	-90.92	336.18	6.21	-84.71
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C	REAL300000357844	1	37	-2.0	-102.87	336.18	6.20	-96.67
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1C	REAL300000357845	0	41	-2.0	-108.15	364.32	6.00	-102.15
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C	REAL300000357846	1	41	-2.0	-90.70	367.65	7.50	-83.20
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000357847	1	40	-2.0	-103.88	352.22	6.74	-97.14
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C	REAL300000357848	0	37	-2.0	-98.56	349.25	6.77	-91.79
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000357849	1	37	-2.0	-98.80	348.69	6.59	-92.21
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C	REAL300000357850	1	43	-2.0	-105.84	368.86	7.56	-98.28
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000357851	0	37	-2.0	-99.92	341.66	6.27	-93.65
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C	REAL300000357852	1	43	-2.0	-90.01	379.76	7.79	-82.22
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000357853	0	34	-2.0	-97.30	329.36	5.23	-92.07
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C	REAL300000357854	1	40	-2.0	-103.93	351.61	6.99	-96.94
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C	REAL300000357855	1	41	-2.0	-89.34	367.27	6.49	-82.85
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000357856	0	38	-2.0	-101.34	342.83	5.57	-95.77
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1C	REAL300000357857	1	41	-2.0	-104.40	360.39	5.02	-99.38
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C	REAL300000357858	0	37	-2.0	-93.53	345.30	5.89	-87.64
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1C	REAL300000357859	1	43	-2.0	-104.98	367.67	7.53	-97.45
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C	REAL300000357860	0	34	-2.0	-98.76	327.82	5.24	-93.52
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1C	REAL300000357861	1	41	-2.0	-108.71	363.47	6.27	-102.44
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1C	REAL300000357862	1	46	-2.0	-105.89	390.09	8.21	-97.68
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC)C(C)=C1	REAL300000357863	1	43	-2.0	-102.51	366.32	7.93	-94.58
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1C	REAL300000357864	0	44	-2.0	-108.51	386.61	6.77	-101.74
COC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000357865	0	40	-2.0	-108.76	367.08	6.76	-102.00
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000357865	1	39	-3.0	-176.99	364.60	6.77	-170.22
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C	REAL300000357866	1	44	-2.0	-107.66	380.45	8.11	-99.55
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C	REAL300000357867	0	37	-2.0	-97.13	339.19	5.35	-91.78
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C	REAL300000357868	0	41	-2.0	-104.05	365.17	5.29	-98.76
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1C	REAL300000357869	1	44	-2.0	-89.76	387.34	7.19	-82.57
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C	REAL300000357870	1	40	-2.0	-94.65	356.89	7.03	-87.62
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C	REAL300000357871	1	41	-2.0	-89.06	373.47	6.55	-82.51
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(C)=C2)C=C1C(=O)[O-]	REAL300000357872	1	44	-2.0	-109.38	385.32	7.18	-102.20
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C	REAL300000357873	0	37	-2.0	-100.37	344.79	6.10	-94.27
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000357874	0	37	-2.0	-88.57	349.23	6.76	-81.81
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000357875	1	37	-2.0	-90.57	340.71	6.24	-84.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000357876	0	34	-2.0	-92.36	328.45	5.33	-87.03
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000357877	0	37	-2.0	-93.89	342.59	6.27	-87.62
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C	REAL300000357878	0	40	-2.0	-101.24	361.94	6.91	-94.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000357879	0	37	-2.0	-90.12	341.64	6.27	-83.85
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C	REAL300000357880	1	37	-2.0	-88.55	348.68	6.60	-81.95
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C	REAL300000357881	1	40	-2.0	-96.28	365.62	7.41	-88.87
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000357882	1	37	-2.0	-92.29	347.01	6.30	-85.99
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C	REAL300000357883	0	39	-2.0	-88.18	364.38	6.87	-81.31
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C	REAL300000357884	0	38	-2.0	-102.80	345.90	3.91	-98.89
COC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C	REAL300000357884	1	38	-2.0	-103.13	344.94	4.77	-98.36
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C	REAL300000357885	1	40	-2.0	-94.92	358.36	6.99	-87.93
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C	REAL300000357886	1	40	-2.0	-99.27	346.32	6.85	-92.42
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000357887	1	40	-2.0	-101.88	361.03	6.85	-95.03
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1C	REAL300000357888	1	40	-2.0	-91.29	351.59	6.97	-84.32
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000357889	1	43	-2.0	-105.68	368.88	7.27	-98.41
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300000357890	0	39	-2.0	-101.71	362.76	7.30	-94.41
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000357891	0	37	-2.0	-91.72	347.94	6.33	-85.39
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C	REAL300000357892	1	43	-2.0	-103.45	370.69	7.60	-95.85
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C	REAL300000357893	0	40	-2.0	-100.90	357.69	6.80	-94.10
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C	REAL300000357894	0	40	-2.0	-100.26	367.95	7.34	-92.92
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C	REAL300000357895	0	40	-2.0	-107.56	361.22	6.89	-100.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(C)=C2)C=C1C(=O)[O-]	REAL300000357896	1	43	-2.0	-104.54	370.43	7.39	-97.15
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=C1C	REAL300000357897	1	44	-2.0	-104.43	386.65	6.33	-98.10
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C	REAL300000357898	1	40	-2.0	-93.56	366.92	7.46	-86.10
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000357899	1	40	-2.0	-100.52	367.43	7.16	-93.36
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(C)=C2)C=C1C(=O)[O-]	REAL300000357900	0	41	-2.0	-102.50	364.19	6.42	-96.08
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000357901	1	40	-2.0	-97.33	370.09	7.28	-90.05
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C	REAL300000357902	1	40	-2.0	-90.94	352.21	6.75	-84.19
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1C	REAL300000357903	1	40	-2.0	-101.72	355.72	7.04	-94.68
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C	REAL300000357904	0	39	-2.0	-110.22	359.91	8.07	-102.15
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000357905	0	37	-2.0	-106.91	339.80	6.23	-100.68
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000357906	1	40	-2.0	-95.64	361.43	6.89	-88.75
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C	REAL300000357907	1	43	-2.0	-110.84	377.26	8.33	-102.51
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000357908	0	36	-2.0	-100.38	332.41	4.34	-96.04
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1C	REAL300000357909	0	41	-2.0	-94.92	364.39	6.00	-88.92
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000357910	0	34	-2.0	-91.00	336.32	5.20	-85.80
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C	REAL300000357911	1	44	-2.0	-97.30	382.31	8.09	-89.21
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C	REAL300000357912	1	44	-2.0	-100.53	381.62	8.09	-92.44
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000357913	0	40	-2.0	-97.02	358.31	6.21	-90.81
COC(=O)CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000357915	1	41	-2.0	-114.34	387.06	7.81	-106.53
COC(=O)CSCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000357916	1	42	-2.0	-112.90	393.71	7.16	-105.74
COC(=O)CSCC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000357917	0	41	-2.0	-108.19	390.07	6.95	-101.24
COC(=O)CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000357918	0	40	-2.0	-112.43	383.28	5.94	-106.49
C#CC1=CC=CC(N(CC)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000357947	0	39	-2.0	-111.17	367.15	9.15	-102.02
C#CC1=CC=CC(N(CC)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000357974	0	37	-2.0	-109.66	340.17	7.27	-102.39
C#CC1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000358041	0	36	-2.0	-111.11	345.94	8.29	-102.82
C#CC1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000358072	0	34	-2.0	-114.39	318.50	6.17	-108.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=CC=C1	REAL300000358115	1	39	-2.0	-107.08	341.28	5.11	-101.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCCC2=C1	REAL300000358116	0	43	-2.0	-112.76	369.39	4.92	-107.84
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)C=C1	REAL300000358117	1	43	-2.0	-94.37	372.71	6.41	-87.96
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=C1	REAL300000358119	0	39	-2.0	-103.04	354.32	5.69	-97.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=CC=C1Cl	REAL300000358120	1	39	-2.0	-102.94	353.76	5.51	-97.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=C1C	REAL300000358121	1	45	-2.0	-110.66	373.95	6.47	-104.19
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=C1	REAL300000358122	0	39	-2.0	-104.50	346.73	5.17	-99.33
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)C=C1	REAL300000358123	1	45	-2.0	-93.68	384.89	6.71	-86.97
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=C1	REAL300000358124	0	36	-2.0	-101.44	334.43	4.15	-97.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCCC2=C1	REAL300000358125	1	42	-2.0	-108.53	356.71	5.90	-102.63
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000358127	1	40	-2.0	-105.34	347.95	4.48	-100.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=C1	REAL300000358129	0	39	-2.0	-97.54	350.39	4.80	-92.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=CS1	REAL300000358131	0	36	-2.0	-102.81	332.90	4.16	-98.65
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCCC2=C1	REAL300000358133	1	45	-2.0	-107.01	371.39	6.85	-100.16
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)C=C(C(=O)[O-])O1	REAL300000358134	0	39	-2.0	-101.51	344.25	4.27	-97.24
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=C1	REAL300000358135	0	43	-2.0	-107.76	370.24	4.22	-103.54
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCCC2=C1	REAL300000358136	1	42	-2.0	-99.08	361.98	5.94	-93.14
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)C=C(C(=O)[O-])S1	REAL300000358137	1	39	-2.0	-104.98	349.85	5.01	-99.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)C(Cl)=C1	REAL300000358138	0	39	-2.0	-92.28	354.30	5.70	-86.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)C=C1F	REAL300000358139	1	39	-2.0	-94.41	345.83	5.17	-89.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)S1	REAL300000358140	0	36	-2.0	-96.30	333.52	4.25	-92.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=CC(F)=C1	REAL300000358141	1	39	-2.0	-97.85	347.71	5.20	-92.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=C1F	REAL300000358142	0	42	-2.0	-105.84	366.99	5.82	-100.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)C(F)=C1	REAL300000358143	0	39	-2.0	-94.07	346.71	5.20	-88.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)C=C1Cl	REAL300000358144	1	39	-2.0	-92.33	353.80	5.53	-86.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=CC(F)=C1F	REAL300000358145	1	39	-2.0	-96.11	352.07	5.22	-90.89
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=C1	REAL300000358146	0	40	-2.0	-107.54	350.96	2.83	-104.71
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3NC(=O)CCCC3=C2)=C1	REAL300000358146	1	40	-2.0	-104.40	339.94	3.73	-100.67
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)C=C1	REAL300000358147	1	42	-2.0	-98.47	363.49	5.91	-92.56
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCCC2=C1	REAL300000358148	1	42	-2.0	-102.71	351.32	5.76	-96.95
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=C1	REAL300000358152	0	39	-2.0	-96.06	353.00	5.24	-90.82
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000358154	0	42	-2.0	-105.60	362.73	5.72	-99.88
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=C1	REAL300000358155	0	42	-2.0	-111.07	366.28	5.80	-105.27
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000358157	1	43	-2.0	-106.60	369.32	5.34	-101.26
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=CC=C1	REAL300000358160	0	39	-2.0	-110.36	344.89	5.14	-105.22
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000358161	1	42	-2.0	-99.56	366.19	5.79	-93.77
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=C1	REAL300000358162	0	38	-2.0	-104.64	337.49	3.24	-101.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CCCC2=C1	REAL300000358163	0	43	-2.0	-98.95	369.48	4.92	-94.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)=C(Cl)O1	REAL300000358164	0	36	-2.0	-95.26	341.43	4.09	-91.17
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CCCC3=C2)C=C(C(=O)[O-])O1	REAL300000358165	0	42	-2.0	-101.49	363.41	5.11	-96.38
N#CCCN(C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000358194	0	38	-2.0	-111.14	360.74	8.42	-102.72
N#CCCN(C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000358221	0	36	-2.0	-105.67	333.78	6.56	-99.11
N#CCCN(C1=CC=C(F)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000358279	0	38	-2.0	-113.40	354.44	8.07	-105.33
N#CCCN(C1=CC=C(F)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000358298	0	36	-2.0	-100.11	328.62	6.56	-93.55
CC1=CC=CC(N(CCC#N)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000358352	0	41	-2.0	-111.23	382.16	9.12	-102.11
CC1=CC=CC(N(CCC#N)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000358372	0	39	-2.0	-108.98	343.60	6.89	-102.09
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000358411	0	35	-2.0	-107.14	333.55	3.76	-103.38
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300000358412	0	35	-2.0	-96.69	329.00	3.74	-92.95
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1O	REAL300000358413	0	35	-2.0	-107.86	329.01	3.73	-104.13
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1O	REAL300000358414	0	39	-2.0	-112.42	357.16	3.53	-108.89
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1O	REAL300000358415	0	39	-2.0	-96.13	360.47	5.03	-91.10
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000358416	0	38	-2.0	-108.89	345.03	4.28	-104.61
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1O	REAL300000358417	0	41	-2.0	-109.59	362.12	5.06	-104.53
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1O	REAL300000358418	0	35	-2.0	-104.81	334.49	3.80	-101.01
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1O	REAL300000358419	0	41	-2.0	-95.45	372.59	5.32	-90.13
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1O	REAL300000358420	0	32	-2.0	-102.61	322.20	2.76	-99.85
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1O	REAL300000358421	0	38	-2.0	-107.83	344.45	4.52	-103.31
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1O	REAL300000358422	0	39	-2.0	-94.67	360.09	4.02	-90.65
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1O	REAL300000358423	0	36	-2.0	-107.82	335.66	3.10	-104.72
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1O	REAL300000358424	0	39	-2.0	-110.17	352.79	2.57	-107.60
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1O	REAL300000358425	0	35	-2.0	-99.76	338.15	3.41	-96.35
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1O	REAL300000358426	0	41	-2.0	-110.82	360.47	5.05	-105.77
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1O	REAL300000358427	0	32	-2.0	-103.90	320.66	2.77	-101.13
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1O	REAL300000358428	0	39	-2.0	-115.49	356.30	3.80	-111.69
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1O	REAL300000358429	0	44	-2.0	-109.66	382.91	5.75	-103.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)OC)=C1O	REAL300000358430	0	41	-2.0	-107.67	359.14	5.45	-102.22
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1O	REAL300000358431	0	42	-2.0	-113.51	379.45	4.30	-109.21
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000358432	0	37	-3.0	-184.66	357.42	4.30	-180.36
COC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000358432	1	38	-2.0	-107.90	357.38	4.23	-103.67
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1O	REAL300000358433	0	42	-2.0	-111.82	373.26	5.63	-106.19
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1O	REAL300000358434	0	35	-2.0	-101.70	332.02	2.87	-98.83
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1O	REAL300000358435	0	39	-2.0	-109.84	357.93	2.82	-107.02
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1O	REAL300000358436	0	42	-2.0	-95.07	380.18	4.73	-90.34
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1O	REAL300000358437	0	38	-2.0	-99.01	349.73	4.55	-94.46
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1O	REAL300000358438	0	39	-2.0	-94.09	366.31	4.08	-90.01
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2O)C=C1C(=O)[O-]	REAL300000358439	0	42	-2.0	-114.31	378.16	4.71	-109.60
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1O	REAL300000358440	0	35	-2.0	-105.97	338.71	3.62	-102.35
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1O	REAL300000358441	0	35	-2.0	-94.29	342.06	4.31	-89.98
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1O	REAL300000358442	0	35	-2.0	-96.14	333.53	3.77	-92.37
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1O	REAL300000358443	0	32	-2.0	-98.52	321.27	2.85	-95.67
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1O	REAL300000358444	0	35	-2.0	-99.15	335.43	3.80	-95.35
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1O	REAL300000358445	0	38	-2.0	-106.23	354.76	4.43	-101.80
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1O	REAL300000358446	0	35	-2.0	-96.36	334.47	3.81	-92.55
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1O	REAL300000358447	0	35	-2.0	-94.18	341.50	4.14	-90.04
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1O	REAL300000358448	0	38	-2.0	-100.52	358.47	4.93	-95.59
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1O	REAL300000358449	0	37	-2.0	-94.55	357.20	4.40	-90.15
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1O	REAL300000358450	0	36	-2.0	-106.37	338.73	1.44	-104.93
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1O	REAL300000358451	0	38	-2.0	-101.43	351.19	4.52	-96.91
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1O	REAL300000358452	0	38	-2.0	-106.30	339.05	4.37	-101.93
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000358453	0	38	-2.0	-106.80	353.85	4.38	-102.42
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1O	REAL300000358454	0	38	-2.0	-96.54	344.43	4.50	-92.04
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000358455	0	41	-2.0	-112.51	362.48	4.81	-107.70
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1O	REAL300000358456	0	37	-2.0	-108.42	355.57	4.83	-103.59
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1O	REAL300000358457	0	35	-2.0	-97.05	340.75	3.86	-93.19
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1O	REAL300000358458	0	41	-2.0	-110.59	363.49	5.12	-105.47
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1O	REAL300000358459	0	38	-2.0	-105.83	350.49	4.33	-101.50
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1O	REAL300000358460	0	38	-2.0	-104.70	360.79	4.87	-99.83
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1O	REAL300000358461	0	38	-2.0	-115.32	354.03	4.43	-110.89
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2O)C=C1C(=O)[O-]	REAL300000358462	0	41	-2.0	-109.64	363.33	4.92	-104.72
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1O	REAL300000358463	0	42	-2.0	-109.12	379.49	3.87	-105.25
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1O	REAL300000358464	0	38	-2.0	-98.23	355.28	4.92	-93.31
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000358465	0	38	-2.0	-105.56	360.23	4.69	-100.87
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2O)C=C1C(=O)[O-]	REAL300000358466	0	39	-2.0	-107.75	356.96	3.94	-103.81
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000358467	0	38	-2.0	-102.82	358.88	4.69	-98.13
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1O	REAL300000358468	0	38	-2.0	-96.83	345.02	4.28	-92.55
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1O	REAL300000358469	0	38	-2.0	-105.32	348.96	4.55	-100.77
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1O	REAL300000358470	0	37	-2.0	-117.80	352.74	5.58	-112.22
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1O	REAL300000358471	0	35	-2.0	-114.51	332.65	3.76	-110.75
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000358472	0	38	-2.0	-101.15	350.18	4.31	-96.84
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1O	REAL300000358473	0	34	-2.0	-106.95	325.22	1.85	-105.10
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1O	REAL300000358474	0	39	-2.0	-100.48	357.21	3.53	-96.95
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1O	REAL300000358475	0	32	-2.0	-96.22	329.12	2.71	-93.51
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1O	REAL300000358476	0	42	-2.0	-102.15	375.14	5.61	-96.54
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1O	REAL300000358477	0	42	-2.0	-107.11	373.10	5.59	-101.52
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2O)C=C(C(=O)[O-])O1	REAL300000358478	0	38	-2.0	-101.11	351.13	3.73	-97.38
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000358479	0	38	-2.0	-115.83	351.84	5.21	-110.62
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000358480	0	38	-2.0	-105.73	347.29	5.19	-100.54
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000358481	0	38	-2.0	-118.79	347.30	5.18	-113.61
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000358482	0	42	-2.0	-123.38	375.44	4.98	-118.40
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000358483	0	42	-2.0	-104.35	378.77	6.47	-97.88
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000358484	0	41	-2.0	-120.17	363.32	5.71	-114.46
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000358485	0	38	-2.0	-113.11	360.37	5.74	-107.37
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000358486	0	38	-2.0	-114.38	359.81	5.57	-108.81
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000358487	0	44	-2.0	-120.64	379.97	6.53	-114.11
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000358488	0	38	-2.0	-115.47	352.76	5.24	-110.23
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000358489	0	44	-2.0	-103.64	390.88	6.76	-96.88
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000358490	0	35	-2.0	-112.88	340.49	4.19	-108.69
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000358491	0	41	-2.0	-118.19	362.73	5.97	-112.22
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000358492	0	42	-2.0	-103.12	378.39	5.46	-97.66
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000358493	0	39	-2.0	-117.09	353.95	4.53	-112.56
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000358494	0	42	-2.0	-118.65	371.08	4.02	-114.63
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000358495	0	38	-2.0	-109.01	356.41	4.86	-104.15
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000358496	0	44	-2.0	-119.66	378.76	6.50	-113.16
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000358497	0	35	-2.0	-114.28	338.95	4.21	-110.07
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000358498	0	42	-2.0	-124.70	374.59	5.24	-119.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1C(=O)OC	REAL300000358499	0	44	-2.0	-114.91	372.93	6.72	-108.19
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000358500	0	38	-2.0	-111.50	350.30	4.32	-107.18
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000358501	0	42	-2.0	-121.05	376.22	4.28	-116.77
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000358502	0	41	-2.0	-108.90	368.01	6.00	-102.90
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000358503	0	38	-2.0	-114.53	356.99	5.06	-109.47
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000358504	0	38	-2.0	-102.89	360.35	5.74	-97.15
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000358505	0	38	-2.0	-105.10	351.82	5.22	-99.88
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000358506	0	35	-2.0	-107.68	339.56	4.31	-103.37
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000358507	0	38	-2.0	-109.43	353.71	5.24	-104.19
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000358508	0	41	-2.0	-117.17	373.05	5.88	-111.29
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000358509	0	38	-2.0	-105.47	352.76	5.25	-100.22
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000358510	0	38	-2.0	-103.19	359.80	5.59	-97.60
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000358511	0	39	-2.0	-116.47	357.02	2.88	-113.59
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000358512	0	41	-2.0	-108.94	369.48	5.95	-102.99
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000358513	0	41	-2.0	-115.54	357.34	5.82	-109.72
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000358514	0	41	-2.0	-117.39	372.13	5.83	-111.56
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000358515	0	41	-2.0	-105.37	362.71	5.96	-99.41
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000358516	0	44	-2.0	-122.28	380.76	6.26	-116.02
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000358517	0	44	-2.0	-120.31	380.83	6.58	-113.73
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000358518	0	41	-2.0	-117.94	372.62	5.88	-112.06
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000358519	0	41	-2.0	-124.97	372.33	5.87	-119.10
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000358520	0	44	-2.0	-120.99	381.62	6.37	-114.62
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000358521	0	42	-2.0	-118.49	375.24	5.39	-113.10
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000358522	0	41	-2.0	-106.00	363.31	5.72	-100.28
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000358523	0	41	-2.0	-115.56	366.83	6.02	-109.54
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000358524	0	38	-2.0	-123.99	350.93	5.20	-118.79
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000358525	0	41	-2.0	-110.48	368.46	5.75	-104.73
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000358526	0	37	-2.0	-114.70	344.27	3.23	-111.47
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000358527	0	42	-2.0	-109.98	375.50	4.97	-105.01
COC(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000358528	0	35	-2.0	-105.72	347.40	4.16	-101.56
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000358529	0	41	-2.0	-110.21	365.60	5.06	-105.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC3=CC=CC=C3N2)C=C1	REAL300000358530	1	41	-2.0	-109.49	368.54	8.05	-101.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC3=CC=CC=C3N2)=C1	REAL300000358531	0	41	-2.0	-122.81	368.56	8.04	-114.77
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC3=CC=CC=C3N2)=C1	REAL300000358532	0	38	-2.0	-117.20	361.74	7.05	-110.15
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC3=CC=CC=C3N2)C=C1C(=O)[O-]	REAL300000358533	0	42	-2.0	-121.21	375.19	7.38	-113.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC3=CC=CC=C3N2)=CS1	REAL300000358534	0	38	-2.0	-118.34	360.20	7.07	-111.27
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC3=CC=CC=C3N2)C=C(C(=O)[O-])O1	REAL300000358535	0	41	-2.0	-114.79	371.56	7.17	-107.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC3=CC=CC=C3N2)S1	REAL300000358536	0	38	-2.0	-111.76	360.81	7.17	-104.59
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC3=CC=CC=C3N2)=C1	REAL300000358537	0	40	-2.0	-117.66	365.54	6.09	-111.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2F)=C1	REAL300000358542	1	28	-2.0	-102.39	298.64	5.78	-96.61
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2F)=C1	REAL300000358543	0	25	-2.0	-99.69	286.36	4.73	-94.96
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2F)=C1	REAL300000358546	1	28	-2.0	-95.88	302.29	5.39	-90.49
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000358548	1	28	-2.0	-99.14	296.18	4.86	-94.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2F)S1	REAL300000358551	1	25	-2.0	-94.72	285.44	4.83	-89.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2F)C(F)=C1	REAL300000358553	1	28	-2.0	-92.41	298.64	5.78	-86.63
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(Br)=CC=C2F)=C1	REAL300000358554	0	29	-2.0	-106.56	298.54	3.77	-102.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2F)=C1F	REAL300000358560	1	28	-2.0	-109.84	296.81	5.73	-104.11
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2F)=C1	REAL300000358561	0	27	-2.0	-102.18	290.15	3.77	-98.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2F)=C(Cl)O1	REAL300000358562	1	25	-2.0	-94.09	288.86	4.78	-89.31
CCC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000358563	1	31	-2.0	-98.76	315.30	5.70	-93.06
COC1=CC=CC=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000358564	1	42	-2.0	-100.88	373.82	8.08	-92.80
COC1=CC=CC=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000358565	1	42	-2.0	-113.80	373.86	8.07	-105.73
COC1=CC=CC=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000358566	1	45	-2.0	-116.38	393.91	8.71	-107.67
COC1=CC=CC=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000358567	0	39	-2.0	-107.78	367.02	7.08	-100.70
COC1=CC=CC=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000358568	1	45	-2.0	-114.38	389.31	8.85	-105.53
COC1=CC=CC=C1C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000358569	0	43	-2.0	-112.14	380.54	7.42	-104.72
COC1=CC=CC=C1C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000358570	0	39	-2.0	-109.46	365.49	7.10	-102.36
COC1=CC=CC=C1C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000358571	0	42	-2.0	-107.05	376.85	7.20	-99.85
COC1=CC=CC=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000358572	0	39	-2.0	-102.62	366.11	7.20	-95.42
COC1=CC=CC=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000358573	0	43	-2.0	-113.08	383.55	5.78	-107.30
COC1=CC=CC=C1C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000358573	1	43	-2.0	-108.89	372.57	6.66	-102.23
COC1=CC=CC=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000358574	1	45	-2.0	-104.50	396.01	8.85	-95.65
COC1=CC=CC=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000358575	1	45	-2.0	-110.29	383.92	8.71	-101.58
COC1=CC=CC=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000358577	1	45	-2.0	-101.06	389.84	8.61	-92.45
COC1=CC=CC=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000358578	0	41	-2.0	-111.53	370.05	6.19	-105.34
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000358579	1	40	-2.0	-91.82	374.36	2.19	-89.63
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000358580	1	33	-2.0	-106.96	322.42	3.63	-103.33
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000358581	0	41	-2.0	-109.92	377.50	4.68	-105.24
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000358582	1	33	-2.0	-97.58	317.88	3.61	-93.97
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000358583	1	33	-2.0	-109.98	317.88	3.60	-106.38
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000358584	0	37	-2.0	-116.47	346.02	3.39	-113.08
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000358585	1	37	-2.0	-97.63	349.35	4.89	-92.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1C(=O)[O-]	REAL300000358586	1	36	-2.0	-110.44	333.90	4.13	-106.31
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000358587	0	33	-2.0	-106.55	330.95	4.16	-102.39
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000358588	1	33	-2.0	-105.28	330.40	3.99	-101.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=C1C	REAL300000358589	1	39	-2.0	-114.45	350.56	4.94	-109.51
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000358590	0	33	-2.0	-107.86	323.36	3.65	-104.21
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000358591	1	39	-2.0	-97.10	361.47	5.18	-91.92
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000358592	0	30	-2.0	-104.19	311.06	2.61	-101.58
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000358593	1	36	-2.0	-112.37	333.32	4.38	-107.99
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1C(=O)[O-]	REAL300000358595	0	34	-2.0	-108.35	324.53	2.94	-105.41
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=C1	REAL300000358597	0	33	-2.0	-100.09	326.99	3.27	-96.82
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000358599	0	30	-2.0	-105.70	309.53	2.63	-103.07
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000358600	1	41	-2.0	-109.63	376.19	3.41	-106.22
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000358602	1	43	-2.0	-116.05	373.13	6.23	-109.82
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000358603	1	42	-2.0	-114.60	371.79	5.60	-109.00
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000358604	1	39	-2.0	-111.22	348.05	5.32	-105.90
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000358605	0	40	-2.0	-116.63	368.31	4.16	-112.47
CS(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000358606	0	36	-2.0	-113.75	353.00	4.02	-109.73
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000358606	1	35	-3.0	-182.44	346.29	4.16	-178.28
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000358607	1	40	-2.0	-128.61	362.14	5.50	-123.11
CC1=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000358608	0	33	-2.0	-104.92	320.92	2.74	-102.18
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000358609	1	39	-2.0	-114.55	360.06	3.37	-111.18
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=C1	REAL300000358610	0	37	-2.0	-108.88	346.80	2.69	-106.19
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000358611	1	41	-2.0	-97.26	371.52	4.21	-93.05
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000358612	0	33	-2.0	-103.36	335.47	4.19	-99.17
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000358614	1	36	-2.0	-102.70	338.59	4.42	-98.28
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000358615	1	37	-2.0	-95.87	355.19	3.94	-91.93
CC1=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C(C(=O)[O-])S1	REAL300000358617	0	33	-2.0	-108.53	327.57	3.48	-105.05
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000358618	0	33	-2.0	-95.09	330.94	4.16	-90.93
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000358619	1	33	-2.0	-97.13	322.41	3.64	-93.49
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000358620	0	30	-2.0	-98.97	310.15	2.72	-96.25
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000358621	1	33	-2.0	-100.81	324.29	3.66	-97.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=C1F	REAL300000358622	0	36	-2.0	-109.20	343.64	4.29	-104.91
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000358623	0	33	-2.0	-96.56	323.35	3.67	-92.89
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000358624	1	33	-2.0	-95.15	330.38	4.00	-91.15
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000358625	1	36	-2.0	-104.49	347.32	4.79	-99.70
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000358626	1	41	-2.0	-94.63	381.63	5.01	-89.62
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000358627	1	33	-2.0	-98.67	328.70	3.69	-94.98
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000358628	0	35	-2.0	-95.01	346.08	4.26	-90.75
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000358629	0	34	-2.0	-111.64	327.58	1.31	-110.33
CS(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000358629	1	34	-2.0	-111.13	326.69	2.18	-108.95
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000358630	1	36	-2.0	-101.85	340.07	4.37	-97.48
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000358631	1	33	-2.0	-100.07	338.59	4.13	-95.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000358632	1	36	-2.0	-104.63	327.95	4.24	-100.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000358633	1	36	-2.0	-108.22	342.72	4.25	-103.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000358635	1	39	-2.0	-112.27	350.77	4.66	-107.61
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000358636	0	35	-2.0	-108.56	344.43	4.70	-103.86
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000358637	0	33	-2.0	-113.24	329.64	3.73	-109.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1C(=O)[O-]	REAL300000358639	0	36	-2.0	-110.09	343.20	4.29	-105.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=C1Cl	REAL300000358640	0	36	-2.0	-108.22	349.64	4.74	-103.48
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=C1	REAL300000358641	0	36	-2.0	-112.60	342.92	4.29	-108.31
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1C(=O)[O-]	REAL300000358642	1	39	-2.0	-111.71	351.82	4.79	-106.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1CC(=O)[O-]	REAL300000358643	1	40	-2.0	-112.05	368.34	3.73	-108.32
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000358644	1	36	-2.0	-98.28	344.14	4.77	-93.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000358645	1	36	-2.0	-106.93	349.10	4.57	-102.36
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1C(=O)[O-]	REAL300000358646	0	37	-2.0	-109.05	346.02	3.81	-105.24
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1C(=O)[O-]	REAL300000358648	1	36	-2.0	-103.73	351.62	4.67	-99.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=CC=C1C(=O)[O-]	REAL300000358649	1	36	-2.0	-97.66	333.89	4.14	-93.52
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000358650	0	38	-2.0	-119.24	361.15	5.78	-113.46
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000358651	1	36	-2.0	-110.13	337.42	4.44	-105.69
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000358652	0	35	-2.0	-114.86	341.61	5.46	-109.40
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000358653	0	33	-2.0	-111.95	321.54	3.63	-108.32
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1C(=O)[O-]	REAL300000358654	1	36	-2.0	-101.93	342.82	4.28	-97.65
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000358655	1	39	-2.0	-117.19	358.93	5.72	-111.47
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000358656	0	32	-2.0	-108.34	314.87	1.65	-106.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000358657	0	37	-2.0	-101.85	346.08	3.41	-98.44
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000358658	0	30	-2.0	-98.14	318.03	2.57	-95.57
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000358659	1	40	-2.0	-104.83	364.01	5.48	-99.35
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000358660	1	40	-2.0	-106.11	363.32	5.48	-100.63
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000358661	0	36	-2.0	-116.86	340.02	3.58	-113.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)=CC=C1F	REAL300000358662	1	36	-2.0	-99.70	351.08	8.66	-91.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)C=C1	REAL300000358663	1	36	-2.0	-90.05	346.53	8.64	-81.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)=C1	REAL300000358664	1	36	-2.0	-102.19	346.50	8.64	-93.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)C=C1C(=O)[O-]	REAL300000358665	1	39	-2.0	-103.11	362.56	9.16	-93.95
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)=C1	REAL300000358666	0	36	-2.0	-98.97	351.99	8.70	-90.27
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)=C1	REAL300000358667	0	33	-2.0	-96.72	339.74	7.65	-89.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1N1C=CC=C1	REAL300000358668	1	39	-2.0	-102.40	361.99	9.42	-92.98
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)C=C1C(=O)[O-]	REAL300000358669	0	37	-2.0	-100.52	353.19	7.97	-92.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)=C1	REAL300000358670	0	36	-2.0	-92.84	355.68	8.33	-84.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)=CS1	REAL300000358671	0	33	-2.0	-97.93	338.19	7.66	-90.27
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)C=C(C(=O)[O-])O1	REAL300000358672	0	36	-2.0	-96.14	349.55	7.78	-88.36
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)C=C(C(=O)[O-])S1	REAL300000358673	0	36	-2.0	-98.99	356.24	8.51	-90.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)C=C1F	REAL300000358674	1	36	-2.0	-89.75	351.06	8.67	-81.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)S1	REAL300000358675	0	33	-2.0	-91.71	338.81	7.76	-83.95
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)=C1	REAL300000358676	0	36	-2.0	-93.20	352.95	8.70	-84.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)C(F)=C1	REAL300000358677	0	36	-2.0	-89.44	352.01	8.71	-80.73
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)=C1	REAL300000358678	0	37	-2.0	-100.96	356.26	6.35	-94.61
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)C=C1	REAL300000358679	1	39	-2.0	-92.95	368.72	9.41	-83.54
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1N1C=CC=C1	REAL300000358680	1	39	-2.0	-98.35	356.55	9.27	-89.08
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1N1C=CC=C1	REAL300000358681	1	39	-2.0	-90.08	361.96	9.41	-80.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)C=C1C(=O)[O-]	REAL300000358682	0	40	-2.0	-101.77	374.56	8.84	-92.93
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)=CC=C1C(=O)[O-]	REAL300000358683	1	39	-2.0	-91.64	366.61	9.28	-82.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)=C1F	REAL300000358684	0	36	-2.0	-106.10	350.18	8.66	-97.44
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)=C1	REAL300000358685	0	35	-2.0	-99.75	342.76	6.75	-93.00
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=C2)C=C(C(=O)[O-])O1	REAL300000358686	0	39	-2.0	-95.63	368.67	8.63	-87.00
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000358687	1	42	-2.0	-90.50	388.28	5.48	-85.02
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000358688	1	35	-2.0	-107.49	336.34	6.92	-100.57
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CSC)=C1	REAL300000358689	0	43	-2.0	-107.67	391.42	7.99	-99.68
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000358691	1	35	-2.0	-109.23	331.80	6.89	-102.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CSC)=C1	REAL300000358692	0	39	-2.0	-114.72	359.95	6.69	-108.03
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000358693	1	39	-2.0	-96.57	363.27	8.19	-88.38
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000358695	0	35	-2.0	-104.77	344.87	7.47	-97.30
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000358696	1	35	-2.0	-105.96	344.32	7.29	-98.67
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000358697	1	41	-2.0	-112.04	364.48	8.24	-103.80
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000358698	0	35	-2.0	-106.53	337.28	6.96	-99.57
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000358699	1	41	-2.0	-95.72	375.39	8.48	-87.24
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000358700	0	32	-2.0	-103.54	324.98	5.91	-97.63
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000358701	1	38	-2.0	-109.94	347.23	7.68	-102.26
CSCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000358703	1	36	-2.0	-107.63	338.45	6.24	-101.39
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000358705	0	35	-2.0	-100.10	340.91	6.57	-93.53
CSCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000358707	0	32	-2.0	-104.87	323.45	5.93	-98.94
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CSC)=C2)=CC(C(=O)[O-])=C1OC	REAL300000358708	1	43	-2.0	-110.40	390.11	6.70	-103.70
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000358710	1	45	-2.0	-113.88	387.04	9.52	-104.36
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000358711	1	44	-2.0	-112.14	385.71	8.89	-103.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CSC)=C1	REAL300000358712	1	41	-2.0	-108.15	361.97	8.61	-99.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CSC)=C1	REAL300000358713	0	42	-2.0	-114.60	382.23	7.45	-107.15
CSCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000358714	0	38	-2.0	-108.46	366.92	7.32	-101.14
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000358714	1	37	-3.0	-185.43	360.21	7.46	-177.97
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000358715	1	42	-2.0	-114.26	376.07	8.80	-105.46
CSCC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000358716	0	35	-2.0	-102.90	334.81	6.03	-96.87
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000358717	1	41	-2.0	-114.07	373.98	6.67	-107.40
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000358718	0	39	-2.0	-111.15	360.79	5.98	-105.17
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000358720	0	35	-2.0	-101.33	349.39	7.49	-93.84
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000358722	1	38	-2.0	-100.45	352.51	7.71	-92.74
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000358723	1	39	-2.0	-94.66	369.10	7.23	-87.43
CSCC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000358725	1	35	-2.0	-106.31	340.40	6.78	-99.53
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000358726	0	35	-2.0	-94.49	344.85	7.46	-87.03
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000358727	1	35	-2.0	-96.26	336.33	6.93	-89.33
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000358728	0	32	-2.0	-98.82	324.07	6.02	-92.80
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000358729	1	35	-2.0	-100.03	338.21	6.95	-93.08
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000358730	0	38	-2.0	-108.03	357.56	7.59	-100.44
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000358731	0	35	-2.0	-96.58	337.26	6.97	-89.61
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000358732	1	35	-2.0	-94.42	344.30	7.30	-87.12
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000358733	1	38	-2.0	-102.13	361.24	8.09	-94.04
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000358734	1	43	-2.0	-93.27	395.55	8.31	-84.96
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000358735	1	35	-2.0	-98.05	342.63	6.99	-91.06
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000358736	1	37	-2.0	-94.17	360.00	7.55	-86.62
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000358737	0	36	-2.0	-108.79	341.51	4.60	-104.19
CSCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000358737	1	36	-2.0	-105.39	340.61	5.48	-99.91
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000358738	1	38	-2.0	-100.61	353.99	7.67	-92.94
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000358739	1	35	-2.0	-99.50	352.51	7.43	-92.07
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000358740	1	38	-2.0	-106.29	341.86	7.52	-98.77
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000358741	1	38	-2.0	-107.85	356.65	7.55	-100.30
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000358744	0	37	-2.0	-107.09	358.38	7.98	-99.11
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000358745	0	35	-2.0	-98.27	343.56	7.02	-91.25
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000358747	0	38	-2.0	-108.96	357.12	7.58	-101.38
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000358748	0	38	-2.0	-106.58	363.56	8.02	-98.56
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000358749	0	38	-2.0	-115.35	356.84	7.59	-107.76
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CSC)=C2)C=C1C(=O)[O-]	REAL300000358750	1	41	-2.0	-112.23	366.09	8.07	-104.16
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000358752	1	38	-2.0	-99.38	358.06	8.07	-91.31
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000358753	1	38	-2.0	-107.76	363.02	7.85	-99.91
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CSC)=C2)C=C1C(=O)[O-]	REAL300000358754	1	39	-2.0	-108.92	359.82	7.12	-101.80
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000358756	1	38	-2.0	-103.40	361.68	7.86	-95.54
CSCC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000358757	0	44	-2.0	-105.77	381.24	9.03	-96.74
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000358759	0	40	-2.0	-102.55	375.07	9.09	-93.46
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000358761	0	37	-2.0	-117.77	355.53	8.75	-109.02
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000358762	0	35	-2.0	-114.56	335.46	6.93	-107.63
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000358763	1	38	-2.0	-101.69	352.98	7.46	-94.23
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000358764	1	41	-2.0	-118.68	372.84	9.01	-109.67
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000358765	0	34	-2.0	-107.15	328.02	5.03	-102.12
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CSC)=C1	REAL300000358766	0	39	-2.0	-101.25	360.00	6.70	-94.55
CSCC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000358767	0	32	-2.0	-96.94	331.95	5.89	-91.05
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000358768	1	42	-2.0	-103.35	377.93	8.77	-94.58
CSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000358769	1	42	-2.0	-107.13	377.27	8.77	-98.36
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CSC)=C2)C=C(C(=O)[O-])O1	REAL300000358770	0	38	-2.0	-102.63	353.93	6.88	-95.75
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C(C)N1	REAL300000358771	0	42	-2.0	-98.14	386.54	2.57	-95.57
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358772	0	35	-2.0	-115.52	334.61	4.02	-111.50
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C(C)N1	REAL300000358773	0	43	-2.0	-114.70	389.69	5.08	-109.62
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C(C)N1	REAL300000358774	0	35	-2.0	-105.52	330.06	4.00	-101.52
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C(C)N1	REAL300000358775	0	35	-2.0	-118.26	330.07	3.99	-114.27
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C(C)N1	REAL300000358776	0	39	-2.0	-122.12	358.21	3.79	-118.33
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C(C)N1	REAL300000358777	0	39	-2.0	-104.33	361.53	5.29	-99.04
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358778	0	38	-2.0	-119.54	346.08	4.51	-115.03
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C(C)N1	REAL300000358779	0	35	-2.0	-112.15	343.14	4.54	-107.61
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358780	0	35	-2.0	-113.92	342.58	4.37	-109.55
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C(C)N1	REAL300000358781	0	41	-2.0	-119.34	362.73	5.33	-114.01
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C(C)N1	REAL300000358782	0	35	-2.0	-114.34	335.53	4.05	-110.29
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C(C)N1	REAL300000358783	0	41	-2.0	-103.46	373.65	5.57	-97.89
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C(C)N1	REAL300000358784	0	32	-2.0	-112.39	323.25	3.02	-109.37
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C(C)N1	REAL300000358785	0	38	-2.0	-117.06	345.50	4.76	-112.30
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C(C)N1	REAL300000358786	0	39	-2.0	-103.15	361.14	4.27	-98.88
COC(=O)C1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358787	0	36	-2.0	-116.86	336.71	3.35	-113.51
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C(C)N1	REAL300000358788	0	39	-2.0	-117.46	353.85	2.83	-114.63
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C(C)N1	REAL300000358789	0	35	-2.0	-108.64	339.17	3.67	-104.97
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C(C)N1	REAL300000358790	0	41	-2.0	-118.34	361.52	5.31	-113.03
COC(=O)C1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C(C)N1	REAL300000358791	0	32	-2.0	-113.83	321.72	3.02	-110.81
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358792	0	43	-2.0	-119.06	388.39	3.81	-115.25
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358793	0	39	-2.0	-124.06	357.36	4.07	-119.99
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C(C)N1	REAL300000358794	0	45	-2.0	-121.33	385.30	6.63	-114.70
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C(C)N1	REAL300000358795	0	44	-2.0	-119.17	383.97	5.99	-113.18
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)OC)NC(C)=C1	REAL300000358796	0	41	-2.0	-113.97	357.92	5.63	-108.34
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C(C)N1	REAL300000358797	0	42	-2.0	-124.34	380.50	4.56	-119.78
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C(C)N1	REAL300000358798	0	37	-3.0	-195.98	358.47	4.57	-191.41
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C(C)N1	REAL300000358799	0	42	-2.0	-121.76	374.31	5.89	-115.87
COC(=O)C1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C(C)N1	REAL300000358800	0	35	-2.0	-110.86	333.07	3.14	-107.72
COC(=O)C1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358801	0	41	-2.0	-123.36	372.23	3.77	-119.59
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C(C)N1	REAL300000358802	0	39	-2.0	-121.48	358.98	3.08	-118.40
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C(C)N1	REAL300000358803	0	43	-2.0	-103.70	382.99	4.59	-99.11
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C(C)N1	REAL300000358804	0	35	-2.0	-108.78	347.66	4.58	-104.20
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C(C)N1	REAL300000358805	0	42	-2.0	-103.68	381.22	4.97	-98.71
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C(C)N1	REAL300000358806	0	38	-2.0	-107.92	350.77	4.81	-103.11
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C(C)N1	REAL300000358807	0	39	-2.0	-102.52	367.37	4.33	-98.19
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)OC)NC(C)=C2)C=C1C(=O)[O-]	REAL300000358808	0	42	-2.0	-124.80	379.22	4.97	-119.83
COC(=O)C1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C(C)N1	REAL300000358809	0	35	-2.0	-113.62	339.76	3.88	-109.74
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C(C)N1	REAL300000358810	0	35	-2.0	-102.90	343.12	4.55	-98.35
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C(C)N1	REAL300000358811	0	35	-2.0	-104.95	334.59	4.03	-100.92
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C(C)N1	REAL300000358812	0	32	-2.0	-107.38	322.33	3.12	-104.26
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C(C)N1	REAL300000358813	0	35	-2.0	-108.99	336.48	4.05	-104.94
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C(C)N1	REAL300000358814	0	38	-2.0	-115.92	355.81	4.69	-111.23
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C(C)N1	REAL300000358815	0	35	-2.0	-105.34	335.53	4.07	-101.27
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C(C)N1	REAL300000358816	0	35	-2.0	-103.00	342.56	4.39	-98.61
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C(C)N1	REAL300000358817	0	38	-2.0	-109.58	359.51	5.19	-104.39
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C(C)N1	REAL300000358818	0	43	-2.0	-100.72	393.81	5.40	-95.32
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358819	0	35	-2.0	-107.01	340.88	4.09	-102.92
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C(C)N1	REAL300000358820	0	37	-2.0	-103.02	358.27	4.66	-98.36
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C(C)N1	REAL300000358821	0	36	-2.0	-115.13	339.78	1.70	-113.43
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C(C)N1	REAL300000358822	0	38	-2.0	-108.13	352.25	4.77	-103.36
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358823	0	35	-2.0	-108.50	350.77	4.53	-103.97
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C(C)N1	REAL300000358824	0	38	-2.0	-115.78	340.10	4.61	-111.17
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358825	0	38	-2.0	-116.98	354.90	4.64	-112.34
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C(C)N1	REAL300000358826	0	38	-2.0	-105.21	345.48	4.76	-100.45
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358827	0	41	-2.0	-121.57	363.53	5.07	-116.50
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358828	0	37	-2.0	-116.25	356.64	5.07	-111.18
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C(C)N1	REAL300000358829	0	35	-2.0	-106.36	341.80	4.12	-102.24
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C(C)N1	REAL300000358830	0	41	-2.0	-120.33	363.60	5.39	-114.94
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C(C)N1	REAL300000358831	0	38	-2.0	-116.80	355.39	4.69	-112.11
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C(C)N1	REAL300000358832	0	38	-2.0	-114.14	361.85	5.12	-109.02
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C(C)N1	REAL300000358833	0	38	-2.0	-125.03	355.11	4.67	-120.36
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)OC)NC(C)=C2)C=C1C(=O)[O-]	REAL300000358834	0	41	-2.0	-120.22	364.39	5.17	-115.05
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=C(C)N1	REAL300000358835	0	42	-2.0	-118.56	380.54	4.11	-114.45
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C(C)N1	REAL300000358836	0	38	-2.0	-108.59	356.33	5.17	-103.42
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358837	0	38	-2.0	-115.87	361.29	4.95	-110.92
CCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)OC)NC(C)=C2)C=C1C(=O)[O-]	REAL300000358838	0	39	-2.0	-118.18	358.02	4.20	-113.98
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358839	0	38	-2.0	-111.73	359.93	4.96	-106.77
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C(C)N1	REAL300000358840	0	38	-2.0	-105.80	346.07	4.54	-101.26
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C(C)N1	REAL300000358841	0	40	-2.0	-109.07	373.32	6.18	-102.89
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C(C)N1	REAL300000358842	0	38	-2.0	-114.57	349.60	4.82	-109.75
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C(C)N1	REAL300000358843	0	37	-2.0	-126.98	353.80	5.85	-121.13
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C(C)N1	REAL300000358844	0	35	-2.0	-124.13	333.70	4.02	-120.11
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358845	0	38	-2.0	-110.01	351.23	4.56	-105.45
COC(=O)C1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C(C)N1	REAL300000358846	0	41	-2.0	-126.91	371.11	6.12	-120.79
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C(C)N1	REAL300000358847	0	34	-2.0	-113.44	327.05	2.05	-111.39
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C(C)N1	REAL300000358848	0	39	-2.0	-109.67	358.27	3.80	-105.87
COC(=O)C1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C(C)N1	REAL300000358849	0	32	-2.0	-105.22	330.17	2.96	-102.26
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C(C)N1	REAL300000358850	0	42	-2.0	-111.23	376.19	5.87	-105.36
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C(C)N1	REAL300000358851	0	42	-2.0	-116.88	374.15	5.85	-111.03
CCC1=C(S(=O)(=O)[N-]C2=C(C(=O)OC)NC(C)=C2)C=C(C(=O)[O-])O1	REAL300000358852	0	38	-2.0	-109.92	351.93	3.98	-105.94
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000358853	1	41	-2.0	-119.75	367.50	6.47	-113.28
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000358854	1	38	-2.0	-119.05	352.07	5.70	-113.35
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4OCCC4=C3)=CC=C12	REAL300000358855	1	37	-2.0	-114.28	333.20	4.90	-109.38
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C(F)C=CC=C3F)=CC=C12	REAL300000358857	0	32	-2.0	-123.39	305.78	5.32	-118.07
O=C([O-])C1=CNC2=CC(NS(=O)(=O)C3=CC=C([O-])C([N+](=O)[O-])=C3)=CC=C12	REAL300000358858	0	35	-2.0	-110.75	333.23	4.76	-105.99
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C([O-])C([N+](=O)[O-])=C3)=CC=C12	REAL300000358858	1	34	-3.0	-166.91	330.74	4.76	-162.15
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)N=C3)=CC=C12	REAL300000358859	0	31	-2.0	-106.21	309.13	3.68	-102.53
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000358860	1	33	-2.0	-112.78	318.12	5.43	-107.35
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358861	1	33	-2.0	-108.52	318.09	5.43	-103.09
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C=C3F)=CC=C12	REAL300000358862	0	32	-2.0	-112.07	319.51	5.62	-106.45
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000358863	0	33	-2.0	-122.81	315.38	5.34	-117.47
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3Br)=CC=C12	REAL300000358864	0	32	-2.0	-116.17	313.78	5.75	-110.42
O=C([O-])C1=CNC2=CC(NS(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C12	REAL300000358865	0	35	-2.0	-132.77	332.76	5.64	-127.13
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C12	REAL300000358865	1	34	-3.0	-179.26	330.28	5.63	-173.63
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4OCCCOC4=C3)=CC=C12	REAL300000358867	1	41	-2.0	-114.43	360.10	4.99	-109.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1[N+](=O)[O-]	REAL300000358868	1	37	-2.0	-113.83	341.48	6.24	-107.59
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000358869	0	35	-2.0	-110.24	313.49	2.88	-107.36
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C4CCCCC4)C=C3)=CC=C12	REAL300000358870	1	48	-2.0	-114.73	399.12	8.85	-105.88
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(F)(F)F)C=C3)=CC=C12	REAL300000358871	1	35	-2.0	-107.87	336.01	6.04	-101.83
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4CCCCC4=C3)=CC=C12	REAL300000358872	1	42	-2.0	-117.65	359.99	7.53	-110.12
O=C([O-])C1=CNC2=CC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C12	REAL300000358873	0	35	-2.0	-110.60	328.22	5.62	-104.98
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C12	REAL300000358873	1	34	-3.0	-167.83	325.73	5.61	-162.22
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000358874	0	40	-2.0	-124.43	355.02	4.12	-120.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1OC	REAL300000358875	1	40	-2.0	-114.21	356.01	4.25	-109.96
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4CCCC4=C3)=CC=C12	REAL300000358876	1	39	-2.0	-117.75	342.80	6.95	-110.80
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000358877	0	34	-2.0	-105.48	312.20	3.96	-101.52
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(Cl)=C3)=CC=C12	REAL300000358878	1	32	-2.0	-106.98	329.19	6.02	-100.96
O=C([O-])C1=CNC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3)=CC=C12	REAL300000358879	0	35	-2.0	-104.68	328.23	5.61	-99.07
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3)=CC=C12	REAL300000358879	1	34	-3.0	-182.63	325.74	5.60	-177.03
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(F)=C3)=CC=C12	REAL300000358880	1	32	-2.0	-106.06	309.98	5.16	-100.90
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(Cl)=CC=C3Cl)=CC=C12	REAL300000358881	0	32	-2.0	-112.36	327.14	6.13	-106.23
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(C(F)(F)F)=C3)=CC=C12	REAL300000358882	1	35	-2.0	-112.05	336.01	6.04	-106.01
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000358883	1	35	-2.0	-116.88	318.69	5.71	-111.17
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3C(F)(F)F)=CC=C12	REAL300000358885	0	35	-2.0	-118.55	323.17	6.42	-112.13
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(Cl)=C3)=CC=C12	REAL300000358886	1	32	-2.0	-112.49	314.01	5.56	-106.93
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358887	1	37	-2.0	-114.62	338.52	5.45	-109.17
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000358888	1	38	-2.0	-117.06	334.17	6.49	-110.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C	REAL300000358889	1	38	-2.0	-117.68	335.70	6.25	-111.43
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CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358904	1	41	-2.0	-115.31	361.67	7.26	-108.05
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CC1=CC=C(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(=O)[O-]	REAL300000358906	0	38	-2.0	-105.37	348.30	6.25	-99.12
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CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358920	1	39	-2.0	-113.40	348.62	5.27	-108.13
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CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000358927	1	47	-2.0	-118.23	388.98	8.15	-110.08
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300000358933	0	32	-2.0	-115.03	311.10	4.84	-110.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1C	REAL300000358934	0	41	-2.0	-132.41	360.10	6.92	-125.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1C	REAL300000358934	1	40	-3.0	-186.49	358.14	6.91	-179.58
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300000358935	0	36	-2.0	-115.75	342.27	5.35	-110.40
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CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358939	1	47	-2.0	-115.18	400.73	8.55	-106.63
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000358940	1	37	-2.0	-110.64	335.55	6.32	-104.32
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CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358943	1	42	-2.0	-121.31	373.93	4.75	-116.56
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CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358945	1	36	-2.0	-113.56	337.47	6.06	-107.50
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CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000358952	0	38	-2.0	-130.79	343.02	6.41	-124.38
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000358952	1	37	-3.0	-184.58	341.17	6.38	-178.20
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COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358955	1	38	-2.0	-110.77	352.04	5.71	-105.06
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358956	1	39	-2.0	-114.97	353.71	3.32	-111.65
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COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000358959	0	41	-2.0	-124.08	369.45	6.73	-117.35
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CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=CC=C21	REAL300000358961	1	43	-2.0	-123.79	377.86	6.17	-117.62
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358962	1	38	-2.0	-115.69	340.17	6.48	-109.21
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COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=CS1	REAL300000358964	0	35	-2.0	-124.79	336.86	5.35	-119.44
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358965	1	42	-2.0	-114.59	373.84	5.55	-109.04
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CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358968	1	44	-2.0	-115.70	378.42	7.73	-107.97
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CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000358972	0	38	-2.0	-128.36	350.14	3.63	-124.73
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=C2N=C1	REAL300000358973	0	40	-2.0	-131.24	358.61	6.31	-124.93
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358974	1	42	-2.0	-112.87	370.12	6.07	-106.80
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NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000358977	1	37	-2.0	-119.39	351.46	-0.00	-119.39
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=CC=C21	REAL300000358978	1	40	-2.0	-112.67	360.58	5.50	-107.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C([N+](=O)[O-])=C1	REAL300000358979	0	38	-2.0	-121.73	347.84	5.75	-115.98
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C2C1=O	REAL300000358980	0	39	-2.0	-109.63	362.90	4.30	-105.33
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4OC(=O)C=CC4=C3)=CC=C12	REAL300000358981	1	37	-2.0	-109.50	344.96	6.54	-102.96
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=CC=C21	REAL300000358982	1	38	-2.0	-112.41	351.39	5.00	-107.41
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358983	0	38	-2.0	-119.53	357.98	2.57	-116.96
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000358984	1	35	-2.0	-108.95	319.16	5.88	-103.07
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3C3=CC=CC=C3)=CC=C12	REAL300000358985	1	42	-2.0	-118.58	367.11	8.92	-109.66
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(F)C=C3Cl)=CC=C12	REAL300000358986	0	32	-2.0	-108.87	316.81	5.67	-103.20
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(F)=C1	REAL300000358987	0	39	-2.0	-125.27	359.13	3.98	-121.29
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000358988	1	38	-2.0	-122.55	357.98	2.57	-119.98
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C1OC	REAL300000358990	0	40	-2.0	-115.83	361.49	4.31	-111.52
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1OC	REAL300000358991	1	43	-2.0	-114.83	371.45	5.01	-109.82
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(=O)[O-]	REAL300000358992	0	35	-3.0	-180.04	332.39	4.96	-175.08
CN1C=C(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(=O)[O-]	REAL300000358992	1	36	-2.0	-105.41	334.87	4.94	-100.47
CN1C=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1Cl	REAL300000358993	0	32	-2.0	-121.94	314.75	4.61	-117.33
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(N)=O	REAL300000358994	0	37	-2.0	-113.66	339.22	1.21	-112.45
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000358995	0	39	-2.0	-131.87	351.76	4.46	-127.41
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000358996	1	43	-2.0	-115.49	382.25	4.54	-110.95
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C1Cl	REAL300000358997	1	36	-2.0	-112.03	342.80	4.90	-107.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C1F	REAL300000358998	1	36	-2.0	-111.90	332.99	4.42	-107.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C	REAL300000358999	1	39	-2.0	-114.66	346.84	5.09	-109.57
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C	REAL300000359000	1	42	-2.0	-114.33	368.70	6.01	-108.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(N)=O	REAL300000359001	1	39	-2.0	-110.72	347.86	2.49	-108.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C1C(N)=O	REAL300000359002	1	40	-2.0	-112.27	359.09	2.42	-109.85
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300000359003	0	32	-2.0	-112.46	301.83	2.75	-109.71
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359004	0	37	-2.0	-104.42	340.99	6.49	-97.93
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN1C	REAL300000359006	0	40	-2.0	-114.05	361.16	2.70	-111.35
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359007	1	35	-2.0	-113.07	329.49	6.34	-106.73
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359008	1	45	-2.0	-112.92	390.22	6.76	-106.16
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=N2)C=C1	REAL300000359009	0	42	-2.0	-113.07	379.25	6.84	-106.23
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4NC(=O)CCCC4=C3)=CC=C12	REAL300000359011	1	43	-2.0	-114.64	372.76	5.17	-109.47
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C	REAL300000359012	1	42	-2.0	-114.34	370.86	5.93	-108.41
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359013	0	34	-3.0	-170.88	334.86	5.29	-165.59
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1Cl	REAL300000359014	1	33	-2.0	-105.51	333.49	5.85	-99.66
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1Cl	REAL300000359015	1	33	-2.0	-106.17	333.51	5.85	-100.32
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(=O)[O-]	REAL300000359016	0	41	-2.0	-131.06	358.91	6.94	-124.12
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(=O)[O-]	REAL300000359016	1	40	-3.0	-186.52	356.81	6.95	-179.57
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4COC(=O)C4=C3)=CC=C12	REAL300000359017	1	36	-2.0	-120.38	335.64	5.41	-114.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=CC=CN=C12	REAL300000359018	1	41	-2.0	-117.72	362.59	4.82	-112.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1Cl	REAL300000359019	1	35	-2.0	-113.15	332.74	6.15	-107.00
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(Cl)=C3F)=CC=C12	REAL300000359020	0	32	-2.0	-116.42	318.96	5.61	-110.81
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1OC(C)C	REAL300000359021	1	45	-2.0	-114.43	386.62	6.63	-107.80
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359022	0	38	-2.0	-109.97	353.75	5.50	-104.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=CC=CC=C12	REAL300000359023	1	42	-2.0	-121.05	366.65	6.70	-114.35
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1F	REAL300000359024	1	35	-2.0	-113.04	324.00	5.75	-107.29
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359025	1	35	-2.0	-109.75	329.49	6.33	-103.42
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359026	0	35	-2.0	-120.19	324.19	5.77	-114.42
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359027	1	35	-2.0	-113.24	319.16	5.88	-107.36
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(CCCl)C=C3)=CC=C12	REAL300000359028	1	38	-2.0	-114.45	357.32	7.11	-107.34
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359029	0	37	-2.0	-126.99	335.65	7.38	-119.61
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359030	1	42	-2.0	-125.73	369.82	4.87	-120.86
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359031	0	40	-2.0	-131.73	358.55	6.32	-125.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CS1	REAL300000359032	0	31	-3.0	-177.32	317.39	4.64	-172.68
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)=CS1	REAL300000359032	1	32	-2.0	-125.92	319.88	4.64	-121.28
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1Cl	REAL300000359033	0	35	-2.0	-117.34	339.63	6.94	-110.40
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3Cl)=CC=C12	REAL300000359034	0	34	-2.0	-104.09	338.63	6.28	-97.81
COC1=CC=C(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(=O)[O-]	REAL300000359035	0	39	-2.0	-138.27	355.51	5.67	-132.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(=O)[O-]	REAL300000359035	1	38	-3.0	-188.57	353.03	5.67	-182.90
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=CC=CN=C2C=C1	REAL300000359036	1	40	-2.0	-115.94	347.25	6.42	-109.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])=CC=C1O	REAL300000359037	1	39	-2.0	-112.02	360.88	3.74	-108.28
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(F)=CC=C3[N+](=O)[O-])=CC=C12	REAL300000359038	0	34	-2.0	-119.86	324.76	6.54	-113.32
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C4=CC=CC=C4)C=C3)=CC=C12	REAL300000359039	1	42	-2.0	-115.97	371.46	8.46	-107.51
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(F)=C3[N+](=O)[O-])=CC=C12	REAL300000359040	0	34	-2.0	-122.54	330.67	6.42	-116.12
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359041	0	41	-2.0	-124.17	377.30	3.55	-120.62
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359042	1	43	-2.0	-124.99	388.03	4.71	-120.28
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)NC4CC4)=CC=C3)=CC=C12	REAL300000359045	1	43	-2.0	-125.59	385.35	5.02	-120.57
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359046	0	36	-2.0	-119.40	328.47	3.41	-115.99
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CNN=C3)=CC=C12	REAL300000359047	0	29	-2.0	-109.69	278.86	1.44	-108.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359048	0	41	-2.0	-130.31	360.66	7.27	-123.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359048	1	40	-3.0	-183.58	355.89	7.33	-176.25
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C(Cl)N=C4C=CC=CN43)=CC=C12	REAL300000359049	0	35	-2.0	-118.27	336.78	5.95	-112.32
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300000359050	0	35	-2.0	-108.80	345.15	4.80	-104.00
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C	REAL300000359051	0	40	-2.0	-126.34	354.92	7.67	-118.67
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=C3COC4=O)=CC=C12	REAL300000359052	0	36	-2.0	-107.98	335.04	5.42	-102.56
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C(F)C=C(F)C=C3F)=CC=C12	REAL300000359053	0	32	-2.0	-113.06	312.19	5.39	-107.67
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C(C(=O)[O-])O1	REAL300000359054	0	34	-3.0	-174.87	328.75	4.75	-170.12
CC1=C(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C(C(=O)[O-])O1	REAL300000359054	1	35	-2.0	-104.41	315.35	3.97	-100.44
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C4NC=CC=C34)=CC=C12	REAL300000359055	0	35	-2.0	-135.94	325.47	4.24	-131.70
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])=C1	REAL300000359056	0	38	-2.0	-120.85	357.54	5.75	-115.10
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359057	0	42	-2.0	-124.55	368.80	6.42	-118.13
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C(Cl)C=CC=C3[N+](=O)[O-])=CC=C12	REAL300000359058	0	34	-2.0	-126.44	331.33	7.22	-119.22
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(N4C=NN=N4)=C3)=CC=C12	REAL300000359059	1	37	-2.0	-125.87	345.55	5.22	-120.65
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=CC(Br)=C3)=CC=C12	REAL300000359060	0	31	-2.0	-106.61	313.60	3.85	-102.76
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C(F)C=CC=C3[N+](=O)[O-])=CC=C12	REAL300000359061	0	34	-2.0	-130.39	323.29	6.67	-123.72
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359062	0	38	-3.0	-183.94	354.73	4.70	-179.24
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359062	1	39	-2.0	-105.66	357.33	4.67	-100.99
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(C4=CC=CC=C4)N=C3)=CC=C12	REAL300000359063	0	39	-2.0	-113.48	357.84	6.16	-107.32
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O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=CC(F)=C3)=CC=C12	REAL300000359065	0	31	-2.0	-106.49	298.68	3.33	-103.16
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(F)(F)F	REAL300000359066	1	38	-2.0	-112.52	351.70	6.57	-105.95
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359067	0	35	-2.0	-114.24	345.33	4.71	-109.53
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359068	0	40	-2.0	-112.71	355.73	7.43	-105.28
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O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)N=C3Cl)=CC=C12	REAL300000359070	0	31	-2.0	-107.15	322.43	4.18	-102.97
CN1C=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359071	0	32	-2.0	-123.09	301.30	4.14	-118.95
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C12	REAL300000359073	0	40	-2.0	-109.76	363.59	4.77	-104.99
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C12	REAL300000359074	0	36	-2.0	-105.78	337.03	2.02	-103.76
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300000359075	0	32	-2.0	-104.92	313.21	3.57	-101.35
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(CCCCl)C=C3)=CC=C12	REAL300000359076	1	41	-2.0	-117.44	378.82	7.89	-109.55
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(F)=C3F)=CC=C12	REAL300000359077	0	32	-2.0	-117.22	309.07	5.17	-112.05
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C(F)=C1	REAL300000359078	0	36	-2.0	-118.43	335.26	4.63	-113.80
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(Cl)=CC=C3[N+](=O)[O-])=CC=C12	REAL300000359079	0	34	-2.0	-119.81	335.08	6.99	-112.82
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359080	0	38	-2.0	-121.68	348.20	6.44	-115.24
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359080	1	37	-3.0	-174.02	346.45	6.42	-167.60
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=C3OCCO4)=CC=C12	REAL300000359081	0	38	-2.0	-121.39	340.40	4.70	-116.69
CC1=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN1C	REAL300000359082	0	35	-2.0	-124.45	320.81	3.94	-120.51
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3OC(F)F)=CC=C12	REAL300000359083	0	36	-2.0	-118.18	335.27	5.11	-113.07
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359084	1	41	-2.0	-118.63	373.94	6.62	-112.01
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300000359085	0	35	-2.0	-112.64	323.36	3.61	-109.03
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359086	1	39	-2.0	-118.08	352.35	4.76	-113.32
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300000359087	0	38	-2.0	-123.21	348.91	6.50	-116.71
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C(Cl)N=C4SC=CN43)=CC=C12	REAL300000359088	0	32	-2.0	-114.02	329.37	5.14	-108.88
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4COCC4=C3)=CC=C12	REAL300000359089	1	37	-2.0	-114.10	333.25	4.34	-109.76
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(F)=CC=C3Cl)=CC=C12	REAL300000359090	0	32	-2.0	-112.43	316.81	5.67	-106.76
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C2)=CO1	REAL300000359091	1	41	-2.0	-118.19	373.67	4.11	-114.08
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=CC=C2O1	REAL300000359093	1	40	-2.0	-113.88	354.34	5.66	-108.22
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4C(=O)NC(=O)C4=C3)=CC=C12	REAL300000359094	0	36	-2.0	-109.15	341.57	1.89	-107.26
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359095	0	32	-2.0	-110.45	297.70	2.09	-108.36
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359096	1	36	-2.0	-117.77	326.78	4.34	-113.43
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359097	1	35	-2.0	-116.28	312.77	5.81	-110.47
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300000359098	0	38	-2.0	-118.45	358.91	3.27	-115.18
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300000359098	1	37	-3.0	-175.07	355.60	2.14	-172.93
CN1C=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=N1	REAL300000359099	0	32	-2.0	-120.83	302.12	2.58	-118.25
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359100	0	32	-2.0	-107.19	297.52	2.68	-104.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(F)=C1	REAL300000359105	0	35	-2.0	-119.48	324.19	5.78	-113.70
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1F	REAL300000359106	1	35	-2.0	-109.29	324.00	5.74	-103.55
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CNC=N3)=CC=C12	REAL300000359107	0	29	-2.0	-121.09	278.74	2.42	-118.67
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)O1	REAL300000359108	0	35	-2.0	-109.02	336.82	3.84	-105.18
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=CC=CN=C43)=CC=C12	REAL300000359109	0	37	-2.0	-131.45	337.21	5.67	-125.78
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CSC(C4=CC=CC=C4)=N3)=CC=C12	REAL300000359110	0	38	-2.0	-119.77	363.71	5.72	-114.05
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C=C3F)=CC=C12	REAL300000359111	0	32	-2.0	-106.98	315.47	5.23	-101.75
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C(C(=O)[O-])S1	REAL300000359112	0	34	-3.0	-179.66	335.43	5.49	-174.17
CC1=C(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C(C(=O)[O-])S1	REAL300000359112	1	35	-2.0	-127.25	337.22	5.46	-121.79
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1C	REAL300000359113	1	41	-2.0	-117.01	362.14	6.34	-110.67
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])=C1	REAL300000359114	0	36	-2.0	-117.72	339.89	4.91	-112.81
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN=C1Cl	REAL300000359115	0	34	-2.0	-106.94	327.93	4.27	-102.67
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359116	0	38	-2.0	-123.15	355.44	2.62	-120.53
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359118	1	41	-2.0	-121.42	374.23	6.49	-114.93
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C21	REAL300000359120	1	43	-2.0	-136.77	376.10	6.07	-130.70
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359121	0	44	-2.0	-114.23	376.45	5.66	-108.57
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)SC=C1	REAL300000359122	0	32	-2.0	-116.73	308.02	4.67	-112.06
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1C	REAL300000359123	0	41	-2.0	-113.74	356.71	4.99	-108.75
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C	REAL300000359124	1	41	-2.0	-110.97	368.08	6.23	-104.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1[N+](=O)[O-]	REAL300000359125	0	37	-2.0	-104.82	341.49	6.23	-98.59
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4CCNC(=O)C4=C3)=CC=C12	REAL300000359128	1	40	-2.0	-127.65	356.86	3.50	-124.15
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359129	1	36	-2.0	-113.14	333.54	6.21	-106.93
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1F	REAL300000359130	1	39	-2.0	-122.29	358.20	4.05	-118.24
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1[N+](=O)[O-]	REAL300000359131	0	37	-2.0	-114.08	349.66	6.41	-107.67
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359132	1	44	-2.0	-114.54	349.44	7.74	-106.80
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1C	REAL300000359133	1	42	-2.0	-133.06	371.15	4.79	-128.27
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300000359134	0	36	-2.0	-117.24	334.93	5.51	-111.73
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359135	1	36	-2.0	-108.65	333.52	6.20	-102.45
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359136	1	44	-2.0	-117.10	362.01	8.27	-108.83
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(F)=C1	REAL300000359138	0	33	-2.0	-111.09	323.58	5.50	-105.59
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C2O1	REAL300000359139	1	37	-2.0	-113.15	340.93	2.70	-110.45
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300000359140	0	38	-2.0	-112.64	342.05	4.13	-108.51
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359141	0	37	-2.0	-115.87	336.38	1.39	-114.48
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC4=CC=CN=C4C=C3)=CC=C12	REAL300000359142	1	37	-2.0	-116.09	338.24	5.43	-110.66
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300000359143	0	38	-2.0	-118.31	356.63	3.81	-114.50
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN1	REAL300000359144	0	38	-2.0	-121.49	341.24	3.47	-118.02
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C([N+](=O)[O-])=C1	REAL300000359145	0	35	-2.0	-116.34	339.12	6.84	-109.50
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=NN1C1=CC=CC=N1	REAL300000359148	0	41	-2.0	-117.75	369.48	6.43	-111.32
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(F)=C3)=CC=C12	REAL300000359150	1	32	-2.0	-100.92	316.27	5.23	-95.69
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359151	1	43	-2.0	-113.11	379.89	6.88	-106.23
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN1C	REAL300000359153	0	39	-2.0	-118.17	358.44	5.15	-113.02
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359154	1	47	-2.0	-115.34	387.70	7.83	-107.51
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C12	REAL300000359155	0	34	-3.0	-165.85	338.79	6.16	-159.69
O=C([O-])C1=CNC2=CC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C12	REAL300000359155	1	35	-2.0	-111.61	339.28	5.71	-105.90
O=C([O-])C1=CNC2=CC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C12	REAL300000359156	0	35	-2.0	-110.49	332.75	5.65	-104.84
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C12	REAL300000359156	1	34	-3.0	-166.85	330.27	5.64	-161.21
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359157	1	40	-2.0	-124.36	363.73	4.45	-119.91
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359158	1	42	-2.0	-123.72	364.90	5.28	-118.44
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC(C)=C1F	REAL300000359159	1	38	-2.0	-110.04	344.31	6.38	-103.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300000359160	0	31	-3.0	-169.60	318.01	4.73	-164.87
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359161	0	41	-2.0	-123.07	361.83	6.30	-116.77
O=C([O-])C1=CNC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3)=CC=C12	REAL300000359162	0	35	-2.0	-101.96	334.64	5.67	-96.29
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3)=CC=C12	REAL300000359162	1	34	-3.0	-172.62	332.15	5.67	-166.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1F	REAL300000359163	0	37	-3.0	-182.06	351.50	6.31	-175.75
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN1	REAL300000359164	0	36	-2.0	-115.65	340.68	3.39	-112.26
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C12	REAL300000359165	0	34	-3.0	-167.37	331.20	5.67	-161.70
O=C([O-])C1=CNC2=CC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C12	REAL300000359166	0	35	-2.0	-107.63	340.72	6.01	-101.62
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C12	REAL300000359166	1	34	-3.0	-165.29	338.24	6.00	-159.29
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359167	1	35	-2.0	-112.21	317.66	5.86	-106.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1C	REAL300000359168	1	41	-2.0	-112.99	368.09	6.22	-106.77
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CS1	REAL300000359169	0	35	-2.0	-114.59	344.55	4.73	-109.86
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])=CC=C1F	REAL300000359170	1	38	-2.0	-108.17	356.61	5.72	-102.45
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300000359171	0	34	-2.0	-112.12	322.51	3.61	-108.51
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359172	1	36	-2.0	-121.75	339.52	6.22	-115.53
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359173	0	40	-2.0	-103.68	355.63	7.38	-96.30
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1[O-]	REAL300000359174	1	40	-2.0	-110.29	362.35	1.98	-108.31
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359177	1	38	-2.0	-112.62	351.83	6.83	-105.79
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359178	1	38	-2.0	-117.14	340.17	6.47	-110.67
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359179	1	35	-2.0	-112.67	325.10	5.78	-106.89
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359181	0	38	-2.0	-110.10	355.17	4.51	-105.59
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4NC(=O)C=CC4=C3)=CC=C12	REAL300000359182	1	38	-2.0	-111.90	348.66	4.10	-107.80
O=C([O-])C1=CNC2=CC(NS(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C12	REAL300000359183	0	35	-2.0	-124.89	339.05	5.70	-119.19
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C12	REAL300000359183	1	34	-3.0	-170.03	336.56	5.69	-164.34
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=CC=C2O1	REAL300000359184	1	43	-2.0	-114.37	374.73	6.30	-108.07
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C(F)C=C1F	REAL300000359185	0	35	-2.0	-111.49	329.49	5.80	-105.69
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=CC=CC=C43)=CC=C12	REAL300000359186	1	38	-2.0	-123.98	338.32	7.35	-116.63
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C4C=CSC4=C3)=CC=C12	REAL300000359187	0	34	-2.0	-112.67	329.27	4.53	-108.14
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C12	REAL300000359188	0	35	-3.0	-183.77	335.46	3.32	-180.45
O=C([O-])C1=CNC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C12	REAL300000359188	1	35	-3.0	-181.70	324.48	4.20	-177.50
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=C3CCCC4)=CC=C12	REAL300000359189	1	42	-2.0	-119.91	352.60	7.67	-112.24
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359190	0	38	-2.0	-109.68	350.39	6.39	-103.29
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359190	1	37	-3.0	-173.18	347.91	6.39	-166.79
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)O1	REAL300000359191	0	38	-2.0	-109.19	358.69	4.77	-104.42
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(F)=CC([N+](=O)[O-])=C3)=CC=C12	REAL300000359192	0	34	-2.0	-104.87	331.90	5.78	-99.09
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359193	0	37	-2.0	-125.51	351.61	6.02	-119.49
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=CC=C21	REAL300000359194	1	44	-2.0	-114.47	388.00	6.57	-107.90
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359195	0	35	-2.0	-122.02	340.02	5.76	-116.26
COC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)SC=C1	REAL300000359196	0	33	-2.0	-124.43	319.45	3.32	-121.11
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])OC2=CC=C(F)C=C12	REAL300000359197	0	38	-2.0	-112.66	351.03	6.33	-106.33
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4O3)=CC=C12	REAL300000359198	0	35	-2.0	-116.88	327.04	5.43	-111.45
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=CC=C2C=C1	REAL300000359199	0	40	-2.0	-133.21	358.79	6.28	-126.93
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C21	REAL300000359200	1	43	-2.0	-111.45	380.58	4.55	-106.90
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1F	REAL300000359201	0	37	-2.0	-113.74	351.31	6.43	-107.31
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359202	0	34	-2.0	-119.33	330.52	3.79	-115.54
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359204	0	32	-2.0	-104.74	312.25	3.99	-100.75
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)N=C1Cl	REAL300000359205	0	32	-2.0	-118.13	317.62	3.86	-114.27
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359206	0	40	-2.0	-118.41	356.26	3.65	-114.76
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=NON=C43)=CC=C12	REAL300000359207	0	33	-2.0	-119.33	313.12	3.78	-115.55
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1C	REAL300000359208	0	40	-2.0	-127.11	347.58	7.87	-119.24
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359209	0	33	-2.0	-106.80	319.50	2.88	-103.92
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300000359210	0	31	-2.0	-111.52	305.81	2.87	-108.65
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359211	1	37	-2.0	-106.73	345.49	6.52	-100.21
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359212	0	38	-2.0	-103.92	337.21	6.27	-97.65
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359212	1	37	-3.0	-178.34	335.81	6.24	-172.10
CC1=CC(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC(C(=O)[O-])=C1F	REAL300000359214	0	38	-2.0	-105.63	353.07	6.26	-99.37
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC(C(=O)[O-])=C1F	REAL300000359214	1	37	-3.0	-180.63	350.58	6.25	-174.38
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359215	0	38	-2.0	-113.05	343.04	6.40	-106.65
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359215	1	37	-3.0	-168.40	341.15	6.37	-162.03
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300000359216	0	38	-2.0	-120.12	356.19	6.15	-113.97
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(F)=C1	REAL300000359217	0	33	-2.0	-112.68	326.57	5.72	-106.96
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1F	REAL300000359218	0	35	-2.0	-114.93	329.47	5.81	-109.12
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1[N+](=O)[O-]	REAL300000359219	0	38	-2.0	-104.77	352.82	5.79	-98.98
CC1=CC(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC(C(=O)[O-])=C1C	REAL300000359220	0	41	-2.0	-134.25	365.03	6.78	-127.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC(C(=O)[O-])=C1C	REAL300000359220	1	40	-3.0	-187.45	363.24	6.80	-180.65
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC4=CC(F)=CC=C4S3)=CC=C12	REAL300000359221	0	35	-2.0	-112.27	342.61	6.54	-105.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1CC	REAL300000359222	1	44	-2.0	-117.51	374.33	7.61	-109.90
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C12	REAL300000359224	0	34	-3.0	-171.17	337.50	5.73	-165.44
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC([N+](=O)[O-])=C1F	REAL300000359225	1	37	-2.0	-105.67	350.32	6.37	-99.30
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C(Cl)C=CN=C3Cl)=CC=C12	REAL300000359226	0	31	-2.0	-112.44	316.24	4.49	-107.95
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359227	0	38	-2.0	-122.23	342.72	5.43	-116.80
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300000359228	0	37	-2.0	-106.82	348.01	3.88	-102.94
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C(Cl)C=C3Cl)=CC=C12	REAL300000359229	0	31	-2.0	-105.02	322.71	4.22	-100.80
CC1=CC=C(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C)=C1C(=O)[O-]	REAL300000359230	0	41	-2.0	-107.56	361.61	6.99	-100.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C)=C1C(=O)[O-]	REAL300000359230	1	40	-3.0	-182.69	360.22	7.00	-175.69
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(=O)[O-]	REAL300000359231	0	37	-3.0	-183.05	351.05	6.30	-176.75
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359232	0	37	-3.0	-187.05	350.78	6.29	-180.76
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359233	1	40	-2.0	-125.80	360.36	6.31	-119.49
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300000359234	0	39	-2.0	-110.83	357.03	2.66	-108.17
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C([N+](=O)[O-])=N1	REAL300000359235	0	37	-2.0	-119.00	347.59	5.88	-113.12
CCC1=CC=C(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(=O)[O-]	REAL300000359236	0	41	-2.0	-131.95	362.19	6.79	-125.16
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(=O)[O-]	REAL300000359236	1	40	-3.0	-185.01	359.68	6.79	-178.22
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(C4CCOCC4)N=C3)=CC=C12	REAL300000359237	0	43	-2.0	-112.74	374.44	3.59	-109.15
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1C#N	REAL300000359240	0	36	-2.0	-123.65	334.53	5.84	-117.81
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359241	0	38	-2.0	-112.94	348.06	5.56	-107.38
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300000359242	0	41	-2.0	-115.29	370.27	6.69	-108.60
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359243	0	38	-2.0	-122.27	344.60	5.80	-116.47
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(C4CCOC4)N=C3)=CC=C12	REAL300000359244	0	40	-2.0	-111.04	355.33	2.80	-108.24
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(F)F)C=C3)=CC=C12	REAL300000359245	1	39	-2.0	-116.99	361.63	5.59	-111.40
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1F	REAL300000359246	0	35	-2.0	-120.90	323.08	5.76	-115.14
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300000359247	0	38	-2.0	-108.72	346.31	2.67	-106.05
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN4CCCCC4=N3)=CC=C12	REAL300000359248	0	39	-2.0	-124.98	343.06	5.08	-119.90
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359249	1	39	-2.0	-115.77	352.34	4.77	-111.00
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])=C1	REAL300000359250	0	37	-2.0	-120.18	336.55	2.03	-118.15
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1Cl	REAL300000359251	0	35	-2.0	-117.73	329.16	6.18	-111.55
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C(C)O1	REAL300000359253	0	35	-2.0	-114.02	320.25	4.62	-109.40
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C4NC(=O)COC4=CC=C3)=CC=C12	REAL300000359254	0	38	-2.0	-119.94	343.53	2.71	-117.23
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4OCCCC4=C3)=CC=C12	REAL300000359255	1	40	-2.0	-115.49	350.98	5.67	-109.82
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359256	1	39	-2.0	-114.69	343.88	5.08	-109.61
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C(C(=O)OC)O1	REAL300000359257	0	41	-2.0	-110.59	374.27	5.45	-105.14
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359258	1	42	-2.0	-113.54	366.54	5.89	-107.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)O1	REAL300000359259	0	32	-2.0	-114.57	301.88	3.86	-110.71
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359260	0	35	-2.0	-116.06	330.93	5.46	-110.60
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4OCOC4=C3)=CC=C12	REAL300000359261	1	35	-2.0	-112.06	323.33	3.70	-108.36
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=NC=CC=C2C=C1	REAL300000359262	0	40	-2.0	-131.57	350.91	6.80	-124.77
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3C3=CC=NO3)=CC=C12	REAL300000359263	0	38	-2.0	-126.02	346.57	7.06	-118.96
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300000359264	0	38	-2.0	-119.19	348.91	6.50	-112.69
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(F)=C3)=CC=C12	REAL300000359265	0	34	-2.0	-102.50	330.03	5.74	-96.76
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(Cl)=C3)=CC=C12	REAL300000359266	0	32	-2.0	-106.96	320.42	5.63	-101.33
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C(C)O1	REAL300000359267	0	38	-2.0	-110.57	355.12	4.60	-105.97
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=CC(Cl)=C3)=CC=C12	REAL300000359268	0	31	-2.0	-106.74	309.03	3.75	-102.99
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)N=C1C	REAL300000359269	0	38	-2.0	-124.35	342.82	4.85	-119.50
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359270	0	35	-2.0	-117.24	331.82	6.27	-110.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(=O)[O-]	REAL300000359271	0	38	-3.0	-181.50	353.76	5.82	-175.68
CCN1C=C(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(=O)[O-]	REAL300000359271	1	39	-2.0	-105.83	356.29	5.81	-100.02
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359272	0	35	-2.0	-113.30	337.16	3.79	-109.51
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359273	0	44	-2.0	-114.85	373.42	5.63	-109.22
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN1C	REAL300000359274	0	42	-2.0	-117.69	380.31	6.08	-111.61
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359275	1	40	-2.0	-109.72	359.31	7.11	-102.61
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C(F)C=CC=C3Cl)=CC=C12	REAL300000359276	0	32	-2.0	-120.04	313.33	5.84	-114.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(Cl)=N1	REAL300000359277	0	34	-2.0	-114.10	327.17	4.36	-109.74
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359278	0	37	-2.0	-114.37	346.32	5.23	-109.14
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C1Cl	REAL300000359279	1	36	-2.0	-111.87	352.48	6.52	-105.35
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300000359280	0	34	-2.0	-111.12	327.29	3.62	-107.50
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C12	REAL300000359281	0	39	-2.0	-105.09	358.52	2.76	-102.33
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300000359282	0	34	-2.0	-110.04	336.57	5.42	-104.62
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN=C1Cl	REAL300000359284	0	35	-2.0	-104.97	338.13	3.01	-101.96
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(F)(F)F)N=C3)=CC=C12	REAL300000359285	0	34	-2.0	-104.85	331.99	4.29	-100.56
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])=C1	REAL300000359286	0	38	-2.0	-112.12	358.47	5.76	-106.36
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(S(=O)(=O)F)C=C3)=CC=C12	REAL300000359287	0	35	-2.0	-112.78	342.64	2.27	-110.51
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359288	0	47	-2.0	-114.22	390.05	6.06	-108.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C(C)=C1F	REAL300000359289	1	39	-2.0	-111.59	346.95	5.17	-106.42
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(Cl)=C1	REAL300000359290	0	33	-2.0	-108.60	331.16	6.00	-102.60
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C4OC=CC4=CC=C3)=CC=C12	REAL300000359291	0	35	-2.0	-124.15	325.20	5.36	-118.79
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359292	0	37	-2.0	-111.53	347.23	3.90	-107.63
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(Br)O3)=CC=C12	REAL300000359293	0	29	-2.0	-108.62	301.66	3.77	-104.85
CC1=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C(C2=CC=CC=C2)O1	REAL300000359294	0	41	-2.0	-124.81	373.32	4.01	-120.80
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1[N+](=O)[O-]	REAL300000359295	1	40	-2.0	-114.93	356.60	7.02	-107.91
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359296	0	42	-2.0	-122.60	360.82	6.80	-115.80
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C(F)C(F)=CC(F)=C3F)=CC=C12	REAL300000359297	0	32	-2.0	-112.30	318.36	5.46	-106.84
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])=C1	REAL300000359301	0	32	-2.0	-108.86	326.25	5.26	-103.60
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(C(F)F)=C3)=CC=C12	REAL300000359302	1	35	-2.0	-121.54	331.45	5.97	-115.57
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(CC(F)F)N=C3)=CC=C12	REAL300000359303	0	35	-2.0	-111.77	335.20	3.94	-107.83
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359304	0	36	-2.0	-122.31	333.37	6.11	-116.20
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(S(=O)(=O)F)=C3)=CC=C12	REAL300000359305	1	35	-2.0	-114.72	343.87	2.14	-112.58
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C(C4=CC=CC=C4)N=C3)=CC=C12	REAL300000359306	0	40	-2.0	-109.26	366.72	6.34	-102.92
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359307	1	41	-2.0	-118.90	351.29	7.05	-111.85
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C)=CS1	REAL300000359308	0	38	-2.0	-124.55	352.50	6.21	-118.34
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])=CC=C1F	REAL300000359309	1	36	-2.0	-108.47	333.00	4.42	-104.05
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C([N+](=O)[O-])SC=C3)=CC=C12	REAL300000359310	0	31	-2.0	-120.76	309.97	5.44	-115.32
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CO3)=CC=C12	REAL300000359311	0	29	-2.0	-113.31	279.96	3.03	-110.28
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359312	0	31	-2.0	-102.16	291.74	1.46	-100.70
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=CN=C21	REAL300000359313	0	37	-2.0	-109.92	341.63	4.17	-105.75
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CSC([N+](=O)[O-])=C3)=CC=C12	REAL300000359314	0	31	-2.0	-106.46	318.45	4.80	-101.66
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359316	1	40	-2.0	-117.02	364.45	3.26	-113.76
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C4CCCN34)=CC=C12	REAL300000359317	0	36	-2.0	-118.15	325.41	4.47	-113.68
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359318	0	33	-2.0	-112.52	331.19	6.00	-106.52
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(CC(F)(F)F)N=C3)=CC=C12	REAL300000359319	0	35	-2.0	-112.53	341.24	4.11	-108.42
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359320	1	38	-2.0	-115.28	327.51	6.76	-108.52
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359321	0	40	-2.0	-129.09	351.26	5.55	-123.54
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359323	0	35	-2.0	-119.94	316.87	5.98	-113.96
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CNC4=CC=CC(F)=C34)=CC=C12	REAL300000359324	0	36	-2.0	-127.96	335.66	5.12	-122.84
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359325	0	45	-2.0	-113.76	388.38	6.55	-107.21
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=CC=C12	REAL300000359326	0	40	-2.0	-131.23	355.15	6.22	-125.01
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359328	1	36	-2.0	-118.78	348.53	2.33	-116.45
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=NSN=C43)=CC=C12	REAL300000359329	0	33	-2.0	-121.70	322.05	3.35	-118.35
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359330	0	35	-2.0	-112.06	321.85	2.52	-109.54
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C3C(C(=O)[O-])=CNC3=C1)OCO2	REAL300000359332	1	38	-2.0	-112.61	338.77	4.48	-108.13
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359334	0	38	-2.0	-114.44	347.66	6.31	-108.13
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359335	1	42	-2.0	-115.25	367.15	4.86	-110.39
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359336	0	41	-2.0	-128.41	366.15	7.33	-121.08
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300000359338	0	35	-2.0	-118.62	342.22	2.54	-116.08
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300000359338	1	34	-3.0	-174.45	338.92	1.40	-173.05
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1F	REAL300000359339	1	39	-2.0	-115.30	358.45	4.07	-111.23
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300000359340	0	37	-2.0	-116.62	354.05	0.66	-115.96
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359341	1	36	-2.0	-117.23	330.12	6.31	-110.92
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359342	1	36	-2.0	-121.81	339.52	6.21	-115.60
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C=C3Cl)=CC=C12	REAL300000359343	0	32	-2.0	-109.59	327.14	6.12	-103.47
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(N)=NO1	REAL300000359345	0	33	-2.0	-105.05	303.71	2.44	-102.61
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300000359346	0	36	-2.0	-119.14	342.27	5.35	-113.79
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CNC(C(F)(F)F)=C3)=CC=C12	REAL300000359347	0	33	-2.0	-110.81	324.78	3.82	-106.99
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=NO1	REAL300000359349	1	43	-2.0	-116.66	378.53	5.84	-110.82
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359350	1	39	-2.0	-118.34	342.24	5.11	-113.23
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C1Cl	REAL300000359351	1	39	-2.0	-113.00	357.84	5.68	-107.32
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])S1	REAL300000359353	0	30	-2.0	-106.64	309.78	4.59	-102.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300000359354	0	34	-2.0	-112.68	313.88	3.88	-108.80
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4N=C3)=CC=C12	REAL300000359355	0	37	-2.0	-114.97	338.46	5.41	-109.56
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C(F)=C1	REAL300000359356	0	38	-2.0	-113.45	357.53	5.77	-107.68
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C1F	REAL300000359357	0	38	-2.0	-109.51	356.59	5.73	-103.78
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1C#N	REAL300000359358	1	36	-2.0	-108.21	337.25	5.93	-102.28
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C(Cl)C(F)=C3)=CC=C12	REAL300000359359	0	31	-2.0	-101.27	315.02	3.73	-97.54
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C(F)=C1	REAL300000359361	0	36	-2.0	-116.74	332.26	4.40	-112.34
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1[N+](=O)[O-]	REAL300000359362	0	40	-2.0	-127.26	358.06	8.24	-119.02
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CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C([N+](=O)[O-])S1	REAL300000359476	0	34	-2.0	-120.66	331.86	6.24	-114.42
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359477	1	37	-2.0	-128.44	339.39	1.01	-127.43
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O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CN=C3F)=CC=C12	REAL300000359479	0	31	-2.0	-116.91	297.76	3.23	-113.68
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(F)N=C3)=CC=C12	REAL300000359482	0	31	-2.0	-105.49	298.68	3.20	-102.29
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COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359485	0	39	-2.0	-118.10	365.04	6.79	-111.31
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(F)=C3)=CC=C12	REAL300000359488	1	32	-2.0	-106.58	319.87	5.61	-100.97
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=C3OCCCO4)=CC=C12	REAL300000359489	0	41	-2.0	-121.87	358.98	5.41	-116.46
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=C3OCCC4)=CC=C12	REAL300000359490	0	40	-2.0	-125.38	349.46	6.26	-119.12
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359491	0	42	-2.0	-114.26	370.41	4.03	-110.23
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359497	1	39	-2.0	-126.00	353.20	2.48	-123.52
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(=O)NC1=O	REAL300000359498	1	35	-2.0	-117.37	325.68	1.75	-115.62
CC(C)OC1(CS(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)CCOC1	REAL300000359499	1	46	-2.0	-117.18	373.15	4.08	-113.10
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)N(C)N=C1	REAL300000359500	0	38	-2.0	-114.79	346.51	4.11	-110.68
COC(CS(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1)C1=CC=C(F)C=C1	REAL300000359501	1	42	-2.0	-113.15	378.46	6.20	-106.95
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)N1C	REAL300000359503	0	35	-2.0	-112.19	316.46	4.08	-108.11
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359504	1	45	-2.0	-118.26	387.31	6.70	-111.56
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1F	REAL300000359507	0	37	-2.0	-118.87	345.06	7.17	-111.70
CCC1=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN1CC1CC1	REAL300000359508	0	45	-2.0	-124.76	391.39	6.83	-117.93
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)O1	REAL300000359509	0	38	-2.0	-109.64	354.72	4.42	-105.22
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C2C1	REAL300000359510	1	43	-2.0	-121.42	382.26	5.61	-115.81
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C(C4CC4)S3)=CC=C12	REAL300000359511	0	35	-2.0	-111.98	337.03	4.55	-107.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C)=C1[N+](=O)[O-]	REAL300000359512	1	40	-2.0	-110.53	361.35	7.36	-103.17
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359513	0	35	-2.0	-101.57	338.89	3.67	-97.90
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)N=C3F)=CC=C12	REAL300000359514	0	31	-2.0	-109.60	314.64	3.65	-105.95
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4CCC5=C4C3=CC=C5)=CC=C12	REAL300000359515	1	42	-2.0	-126.44	363.38	8.44	-118.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(F)=C1F	REAL300000359517	0	35	-2.0	-117.11	329.36	5.82	-111.29
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)OC=C1	REAL300000359518	0	35	-2.0	-125.20	333.54	4.07	-121.13
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=N1	REAL300000359520	0	34	-2.0	-126.69	324.35	4.02	-122.67
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C)=N1	REAL300000359521	0	44	-2.0	-112.85	385.20	5.81	-107.04
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C12	REAL300000359522	0	33	-3.0	-180.04	321.96	3.74	-176.30
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300000359523	0	36	-2.0	-115.67	330.03	5.18	-110.49
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1F	REAL300000359524	1	44	-2.0	-112.56	375.50	7.30	-105.26
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359525	0	33	-2.0	-106.61	324.52	5.50	-101.11
CN1N=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1C(F)(F)F	REAL300000359526	0	35	-2.0	-109.82	330.43	3.68	-106.14
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CNC4=NC=NC=C34)=CC=C12	REAL300000359527	0	34	-2.0	-112.87	320.55	4.09	-108.78
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C4NC=NC=C34)=CC=C12	REAL300000359527	1	34	-2.0	-126.72	320.45	4.23	-122.49
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CNC4=CC=CC=C43)=CC=C12	REAL300000359528	0	36	-2.0	-122.11	331.02	5.01	-117.10
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359529	0	42	-2.0	-111.56	358.26	5.16	-106.40
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C(C)(C)C)=N1	REAL300000359530	0	44	-2.0	-112.21	365.70	5.66	-106.55
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(C4CCCC4)N=C3)=CC=C12	REAL300000359532	0	42	-2.0	-112.51	364.70	5.40	-107.11
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359533	0	35	-2.0	-105.70	330.59	3.99	-101.71
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(Br)=N1	REAL300000359534	0	32	-2.0	-112.55	322.51	3.25	-109.30
CS(=O)(=NS(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1)C1CCCCC1	REAL300000359536	1	45	-2.0	-137.74	384.92	4.45	-133.29
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(F)=CC=C3O)=CC=C12	REAL300000359537	0	33	-2.0	-115.03	313.47	2.80	-112.23
O=C([O-])C1=CNC2=CC(NS(=O)(=O)C3=CC(F)=CC=C3[O-])=CC=C12	REAL300000359537	1	33	-2.0	-107.43	302.50	3.69	-103.74
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359538	1	42	-2.0	-115.21	374.48	7.83	-107.38
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359539	0	35	-2.0	-128.10	328.27	2.70	-125.40
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359540	0	38	-2.0	-113.42	340.13	4.20	-109.22
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1F	REAL300000359541	0	37	-2.0	-114.56	342.29	5.51	-109.05
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300000359542	0	32	-2.0	-107.62	302.49	2.40	-105.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C#N)=C1	REAL300000359543	0	36	-2.0	-121.55	336.78	5.99	-115.56
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359544	0	36	-2.0	-123.60	329.03	6.28	-117.32
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(F)F)=C3)=CC=C12	REAL300000359545	1	35	-2.0	-110.99	336.48	6.00	-104.99
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359547	1	39	-2.0	-119.06	361.02	7.00	-112.06
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359548	1	38	-2.0	-109.09	344.13	7.22	-101.87
COC1=NSC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359549	0	32	-2.0	-105.18	316.53	0.84	-104.34
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=NS3)=CC=C12	REAL300000359551	0	28	-2.0	-107.69	284.02	2.74	-104.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359554	0	38	-3.0	-172.85	353.94	5.40	-167.45
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359554	1	39	-2.0	-105.89	340.89	5.18	-100.71
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C(C(N)=O)O1	REAL300000359555	0	36	-2.0	-114.60	336.79	0.65	-113.95
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359556	1	41	-2.0	-115.92	349.00	7.54	-108.38
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CSC=C3C(F)F)=CC=C12	REAL300000359557	0	32	-2.0	-121.01	312.01	5.17	-115.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C(Cl)O1	REAL300000359559	0	31	-3.0	-168.28	325.89	4.58	-163.70
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=CC=NC=C43)=CC=C12	REAL300000359560	0	37	-2.0	-123.48	333.53	5.55	-117.93
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359561	0	39	-2.0	-116.10	358.70	5.23	-110.87
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1F	REAL300000359562	0	33	-2.0	-117.07	323.10	5.46	-111.61
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)N=N1	REAL300000359563	0	31	-2.0	-116.43	296.07	1.36	-115.07
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])=C1	REAL300000359564	0	35	-2.0	-105.36	351.84	4.32	-101.04
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(C4CCC4)N=C3)=CC=C12	REAL300000359565	0	39	-2.0	-112.69	347.18	4.72	-107.97
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=NN3C3CCC3)=CC=C12	REAL300000359566	0	39	-2.0	-109.49	344.57	4.94	-104.55
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=NN3CC3CCC3)=CC=C12	REAL300000359567	0	42	-2.0	-108.16	357.45	5.87	-102.29
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=NN2C1	REAL300000359568	0	43	-2.0	-120.73	372.32	3.05	-117.68
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C(C4=CC=CC=C4)S3)=CC=C12	REAL300000359569	0	38	-2.0	-113.85	364.12	5.95	-107.90
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4NC(=O)COC4=C3)=CC=C12	REAL300000359570	1	38	-2.0	-112.91	348.00	2.29	-110.62
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C(Br)C=CO3)=CC=C12	REAL300000359571	0	29	-2.0	-112.74	299.04	3.72	-109.02
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C1F	REAL300000359572	1	36	-2.0	-104.72	343.15	4.59	-100.13
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C4CCCCN34)=CC=C12	REAL300000359573	0	39	-2.0	-116.05	341.64	5.07	-110.98
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C1F	REAL300000359574	0	36	-2.0	-112.96	338.46	4.48	-108.48
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300000359575	0	42	-2.0	-121.03	371.71	6.44	-114.59
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359576	0	35	-2.0	-111.37	320.33	5.74	-105.63
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=C2O1	REAL300000359577	0	40	-2.0	-126.49	354.45	5.62	-120.87
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300000359578	0	40	-2.0	-112.05	365.95	4.71	-107.34
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C2)CC1	REAL300000359579	1	40	-2.0	-117.69	365.52	7.25	-110.44
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300000359580	0	36	-2.0	-118.39	337.28	5.66	-112.73
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CSC=C3Cl)=CC=C12	REAL300000359581	0	29	-2.0	-112.29	302.71	4.48	-107.81
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359582	0	32	-2.0	-103.23	319.23	3.17	-100.06
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=CC(C(F)(F)F)=C3)=CC=C12	REAL300000359583	0	34	-2.0	-105.69	331.17	4.21	-101.48
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359584	0	37	-2.0	-129.05	339.02	4.63	-124.42
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359585	0	34	-2.0	-102.49	311.21	2.38	-100.11
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CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359612	1	41	-2.0	-117.24	361.67	7.25	-109.99
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CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359615	0	39	-2.0	-112.01	341.95	4.63	-107.38
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359617	1	38	-2.0	-114.52	326.93	6.67	-107.85
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359618	0	41	-2.0	-107.01	344.27	4.95	-102.06
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300000359619	0	41	-2.0	-113.38	361.77	4.76	-108.62
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CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN=C1C(F)(F)F	REAL300000359621	0	37	-2.0	-105.27	348.20	4.86	-100.41
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300000359622	0	43	-2.0	-112.38	371.54	5.87	-106.51
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CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359627	0	35	-2.0	-108.02	319.45	3.27	-104.75
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1C	REAL300000359629	1	38	-2.0	-116.94	330.48	6.38	-110.56
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CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359631	1	43	-2.0	-125.25	381.86	7.08	-118.17
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COC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=CS1	REAL300000359637	0	33	-2.0	-119.35	319.52	3.50	-115.85
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CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359641	0	41	-2.0	-109.32	357.23	4.95	-104.37
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300000359642	1	41	-2.0	-121.76	368.49	2.56	-119.20
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C2=N1	REAL300000359644	0	37	-2.0	-124.50	340.88	3.40	-121.10
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)O1	REAL300000359645	0	35	-2.0	-114.57	323.36	4.64	-109.93
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COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300000359647	0	36	-2.0	-111.84	338.21	4.96	-106.88
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359648	1	38	-2.0	-114.89	350.49	6.57	-108.32
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(OC(F)F)=C3)=CC=C12	REAL300000359649	1	36	-2.0	-114.96	336.53	4.62	-110.34
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300000359651	0	33	-2.0	-112.12	321.07	3.49	-108.63
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=NC=CC=C12	REAL300000359652	0	43	-2.0	-131.81	368.74	7.38	-124.43
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(CCF)N=C3)=CC=C12	REAL300000359654	0	35	-2.0	-110.20	329.95	3.74	-106.46
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359655	1	42	-2.0	-118.22	374.20	5.73	-112.49
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359656	0	42	-2.0	-110.09	376.95	6.23	-103.86
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(C4CCCCC4)N=C3)=CC=C12	REAL300000359657	0	45	-2.0	-112.09	383.69	5.99	-106.10
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3CF)=CC=C12	REAL300000359658	1	35	-2.0	-117.61	318.92	5.96	-111.65
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C4C=CC=CN34)=CC=C12	REAL300000359659	0	35	-2.0	-117.44	322.78	5.44	-112.00
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4SC=NC4=C3)=CC=C12	REAL300000359660	1	34	-2.0	-116.59	328.22	4.44	-112.15
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=N1	REAL300000359661	0	34	-2.0	-112.32	317.99	1.91	-110.41
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1Cl	REAL300000359662	0	35	-2.0	-110.49	338.97	3.97	-106.52
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)O3)=CC=C12	REAL300000359663	0	29	-2.0	-108.28	297.02	3.65	-104.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=CC=CC=C12	REAL300000359664	1	41	-2.0	-124.65	356.05	7.88	-116.77
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(OCCF)C=C3)=CC=C12	REAL300000359665	1	39	-2.0	-115.59	355.20	5.41	-110.18
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(Cl)=C3F)=CC=C12	REAL300000359666	0	32	-2.0	-109.33	324.79	5.65	-103.68
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)O1	REAL300000359667	0	38	-2.0	-124.06	360.90	1.33	-122.73
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C2=CC=CC=C2)=N1	REAL300000359668	0	42	-2.0	-117.69	374.67	6.46	-111.23
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C4CC4)S3)=CC=C12	REAL300000359670	0	36	-2.0	-115.32	341.10	6.36	-108.96
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CC1=COC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359673	0	32	-2.0	-113.86	301.86	3.72	-110.14
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=NN1	REAL300000359674	0	38	-2.0	-112.51	357.48	2.85	-109.66
COC1=CSC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1OC	REAL300000359675	0	37	-2.0	-117.79	350.28	3.05	-114.74
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C(F)C(Cl)=C3)=CC=C12	REAL300000359676	0	31	-2.0	-100.99	314.91	3.68	-97.31
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359677	0	38	-2.0	-112.56	341.70	4.98	-107.58
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=CC=C21	REAL300000359678	1	39	-2.0	-121.86	350.99	6.80	-115.06
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CN1N=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1Cl	REAL300000359680	0	32	-2.0	-110.18	317.13	3.10	-107.08
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)C(F)F)C=C3)=CC=C12	REAL300000359681	1	37	-2.0	-112.68	348.73	5.68	-107.00
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359682	0	38	-2.0	-127.58	335.13	6.87	-120.71
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CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359684	0	34	-2.0	-106.78	325.02	4.43	-102.35
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359685	1	43	-2.0	-118.51	380.95	6.67	-111.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C2CC2)=N1	REAL300000359686	0	42	-2.0	-116.02	374.11	5.83	-110.19
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=NSN=C2C=C1	REAL300000359687	0	36	-2.0	-122.63	335.56	4.38	-118.25
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(=O)NC(=O)N1	REAL300000359688	1	35	-2.0	-116.71	320.14	1.10	-115.61
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359690	0	45	-2.0	-110.93	384.04	6.25	-104.68
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O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(Cl)=CS3)=CC=C12	REAL300000359692	0	29	-2.0	-108.87	306.09	4.56	-104.31
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359693	0	40	-2.0	-109.20	349.59	2.79	-106.41
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3C3CC3)=CC=C12	REAL300000359694	1	39	-2.0	-119.87	340.83	7.21	-112.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C)=N1	REAL300000359698	1	38	-2.0	-108.77	340.13	2.48	-106.29
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359699	0	38	-2.0	-119.25	344.67	2.88	-116.37
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359700	0	35	-2.0	-113.24	339.99	2.72	-110.52
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C	REAL300000359701	0	38	-2.0	-109.63	344.59	2.46	-107.17
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300000359702	0	41	-2.0	-112.77	364.69	5.14	-107.63
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359703	0	41	-2.0	-113.57	360.89	4.78	-108.79
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CSC(C(F)(F)F)=N3)=CC=C12	REAL300000359704	0	31	-2.0	-111.63	324.62	3.03	-108.60
N#CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=CO1	REAL300000359705	0	30	-2.0	-114.38	300.24	3.45	-110.93
N#CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])SC=C1	REAL300000359706	0	30	-2.0	-119.68	309.33	4.38	-115.30
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359707	0	38	-2.0	-108.66	339.00	4.32	-104.34
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C	REAL300000359708	0	40	-2.0	-107.27	364.06	4.42	-102.85
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359709	0	35	-2.0	-120.34	339.12	6.85	-113.49
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=NN3CC3CC3)=CC=C12	REAL300000359710	0	39	-2.0	-108.23	349.49	5.18	-103.05
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=NN3C3=CC=CC=C3)=CC=C12	REAL300000359711	0	39	-2.0	-113.57	351.01	6.19	-107.38
COC1=NOC(CS(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359712	1	35	-2.0	-111.90	328.34	1.39	-110.51
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=NN1C(C)C	REAL300000359713	0	41	-2.0	-114.65	360.36	4.85	-109.80
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(C4CC4(F)F)=C3)=CC=C12	REAL300000359714	1	39	-2.0	-122.00	357.13	7.25	-114.75
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=CC(C(F)F)=C3)=CC=C12	REAL300000359715	0	34	-2.0	-115.06	326.51	4.16	-110.90
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C4CC4(F)F)C=C3)=CC=C12	REAL300000359717	1	39	-2.0	-116.74	358.80	7.28	-109.46
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CNC4=CC(Cl)=CC=C34)=CC=C12	REAL300000359718	0	36	-2.0	-116.57	347.74	5.51	-111.06
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(O)=C3)=CC=C12	REAL300000359719	1	33	-2.0	-115.87	308.29	2.19	-113.68
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359720	1	41	-2.0	-119.50	361.97	6.72	-112.78
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(C(F)F)=CC=C3F)=CC=C12	REAL300000359721	0	35	-2.0	-118.11	334.95	5.98	-112.13
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CSN=C3)=CC=C12	REAL300000359722	0	28	-2.0	-105.74	282.93	2.65	-103.09
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=NN(C4CC4(F)F)C=C3)=CC=C12	REAL300000359723	0	36	-2.0	-125.00	345.16	4.30	-120.70
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3C3CC3(F)F)=CC=C12	REAL300000359724	1	39	-2.0	-121.07	353.10	7.34	-113.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(Cl)=C1Cl	REAL300000359725	0	35	-2.0	-114.03	344.34	6.65	-107.38
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C(C(F)F)=C1	REAL300000359726	1	39	-2.0	-121.29	347.73	5.63	-115.66
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300000359727	0	37	-2.0	-122.66	338.07	4.62	-118.04
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300000359728	0	38	-2.0	-132.28	346.61	6.59	-125.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=NC=CC=C12	REAL300000359729	0	40	-2.0	-131.79	355.00	6.20	-125.59
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C(C(=O)[O-])O1	REAL300000359730	0	37	-3.0	-175.27	347.87	5.60	-169.67
CCC1=C(S(=O)(=O)NC2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C(C(=O)[O-])O1	REAL300000359730	1	38	-2.0	-122.37	352.62	5.48	-116.89
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359731	0	45	-2.0	-125.47	386.72	7.04	-118.43
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C(Cl)S1	REAL300000359732	0	32	-2.0	-109.23	322.55	5.45	-103.78
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=CS3)=CC=C12	REAL300000359733	0	28	-2.0	-110.19	283.87	2.16	-108.03
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C4CCCCN4N=C3)=CC=C12	REAL300000359734	0	39	-2.0	-115.66	343.00	4.36	-111.30
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300000359735	0	35	-2.0	-120.19	324.19	5.77	-114.42
CN1C=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C1=O	REAL300000359768	0	34	-2.0	-113.03	314.52	4.10	-108.93
CN1C=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1=O	REAL300000359799	0	32	-2.0	-113.61	293.62	2.12	-111.49
CN1C=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1=O	REAL300000359807	1	31	-2.0	-107.36	302.20	3.96	-103.40
CN1C=CC=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C1=O	REAL300000359808	1	28	-2.0	-106.31	303.04	3.53	-102.78
CN1C=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C1=O	REAL300000359821	0	31	-2.0	-105.83	316.06	4.39	-101.44
CN1C=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C1=O	REAL300000359835	1	28	-2.0	-106.09	290.56	2.82	-103.27
CC1CC2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C1	REAL300000359868	0	41	-2.0	-112.69	350.95	8.61	-104.08
CC1CC2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1	REAL300000359893	0	39	-2.0	-114.24	329.52	6.71	-107.53
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000359929	0	33	-2.0	-110.42	331.68	4.29	-106.13
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000359930	0	33	-2.0	-101.15	327.14	4.26	-96.89
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000359931	0	33	-2.0	-112.46	327.15	4.25	-108.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C#N)=C1	REAL300000359932	0	37	-2.0	-115.69	355.26	4.07	-111.62
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000359933	0	37	-2.0	-100.11	358.60	5.55	-94.56
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000359934	0	36	-2.0	-113.96	346.59	4.32	-109.64
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000359935	0	33	-2.0	-106.65	340.22	4.81	-101.84
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000359936	0	33	-2.0	-108.60	339.65	4.65	-103.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)=C1C	REAL300000359937	0	39	-2.0	-113.05	359.55	5.55	-107.50
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000359938	0	33	-2.0	-108.13	332.63	4.32	-103.81
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000359939	0	39	-2.0	-98.82	370.71	5.85	-92.97
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000359940	0	30	-2.0	-107.21	320.33	3.28	-103.93
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C#N)=C1	REAL300000359941	0	36	-2.0	-111.24	342.59	5.02	-106.22
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000359942	0	37	-2.0	-98.90	358.23	4.54	-94.36
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000359943	0	34	-2.0	-111.47	333.80	3.61	-107.86
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C#N)=C1	REAL300000359944	0	37	-2.0	-112.00	351.35	3.06	-108.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)=C1	REAL300000359945	0	33	-2.0	-103.63	336.27	3.94	-99.69
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000359947	0	30	-2.0	-108.59	318.80	3.29	-105.30
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000359948	0	37	-2.0	-118.47	354.45	4.32	-114.15
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000359949	0	43	-2.0	-114.78	382.39	6.79	-107.99
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C#N)=C1	REAL300000359950	0	42	-2.0	-112.98	381.05	6.23	-106.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C#N)=C1	REAL300000359951	0	39	-2.0	-108.97	357.31	5.77	-103.20
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C#N)=C1	REAL300000359952	0	40	-2.0	-117.67	377.38	4.85	-112.82
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000359953	0	35	-3.0	-188.65	355.57	4.82	-183.83
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000359954	0	40	-2.0	-115.22	371.40	6.14	-109.08
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000359955	0	33	-2.0	-105.75	330.16	3.40	-102.35
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)=C1	REAL300000359956	0	37	-2.0	-116.09	356.04	3.36	-112.73
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000359957	0	33	-2.0	-103.87	344.75	4.83	-99.04
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)=CC=C1OCC(=O)[O-]	REAL300000359958	0	40	-2.0	-99.35	378.31	5.25	-94.10
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C#N)=C1	REAL300000359959	0	36	-2.0	-102.78	347.85	5.06	-97.72
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000359960	0	37	-2.0	-98.67	364.44	4.60	-94.07
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000359961	0	40	-2.0	-119.13	376.29	5.23	-113.90
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)C=C(C(=O)[O-])S1	REAL300000359962	0	33	-2.0	-108.29	335.75	4.16	-104.13
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000359963	0	33	-2.0	-98.73	340.19	4.80	-93.93
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000359964	0	33	-2.0	-100.96	331.67	4.30	-96.66
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000359965	0	30	-2.0	-102.54	319.42	3.39	-99.15
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000359966	0	33	-2.0	-103.76	333.56	4.32	-99.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)=C1F	REAL300000359967	0	36	-2.0	-109.44	352.91	4.96	-104.48
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000359968	0	33	-2.0	-100.51	332.64	4.33	-96.18
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000359969	0	33	-2.0	-98.77	339.65	4.66	-94.11
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C#N)=C1	REAL300000359970	0	36	-2.0	-104.19	356.58	5.44	-98.75
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000359971	0	33	-2.0	-102.43	337.97	4.35	-98.08
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000359972	0	35	-2.0	-98.13	355.34	4.93	-93.20
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000359973	0	34	-2.0	-109.26	336.87	1.96	-107.30
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000359973	1	33	-3.0	-208.05	333.30	2.85	-205.20
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000359974	0	36	-2.0	-102.59	349.32	5.04	-97.55
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000359975	0	33	-2.0	-103.73	347.86	4.79	-98.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C#N)=C1	REAL300000359976	0	36	-2.0	-110.57	337.23	4.88	-105.69
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)=CC(C(=O)[O-])=C1F	REAL300000359977	0	36	-2.0	-111.71	351.98	4.91	-106.80
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C#N)=C1	REAL300000359978	0	36	-2.0	-100.95	342.56	5.01	-95.94
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)=CC(C(=O)[O-])=C1C	REAL300000359979	0	39	-2.0	-116.97	363.95	5.42	-111.55
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000359980	0	35	-2.0	-111.82	353.73	5.35	-106.47
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000359981	0	33	-2.0	-100.61	338.91	4.38	-96.23
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)C(C)=C1C(=O)[O-]	REAL300000359982	0	39	-2.0	-115.78	364.41	5.23	-110.55
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000359983	0	36	-2.0	-109.12	353.86	4.16	-104.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)=C1Cl	REAL300000359984	0	36	-2.0	-108.31	358.91	5.38	-102.93
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)=C1	REAL300000359985	0	36	-2.0	-119.13	352.20	4.94	-114.19
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000359986	0	39	-2.0	-114.16	361.09	5.44	-108.72
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)C=C1CC(=O)[O-]	REAL300000359987	0	40	-2.0	-116.96	377.63	4.39	-112.57
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C#N)=C1	REAL300000359988	0	36	-2.0	-103.57	353.42	5.36	-98.21
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000359989	0	36	-2.0	-110.34	358.37	5.21	-105.13
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000359990	0	37	-2.0	-112.78	355.16	4.47	-108.31
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000359991	0	36	-2.0	-107.41	369.11	4.12	-103.29
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000359992	0	36	-2.0	-101.18	343.16	4.80	-96.38
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C#N)=C1	REAL300000359993	0	36	-2.0	-109.07	347.11	5.06	-104.01
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000359994	0	35	-2.0	-121.40	350.88	6.11	-115.29
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000359995	0	33	-2.0	-118.34	330.77	4.28	-114.06
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000359996	0	36	-2.0	-105.99	353.76	4.61	-101.38
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000359997	0	39	-2.0	-120.53	368.19	6.38	-114.15
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000359998	0	32	-2.0	-110.02	323.38	2.39	-107.63
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C#N)=C1	REAL300000359999	0	37	-2.0	-104.47	355.10	4.09	-100.38
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000360000	0	30	-2.0	-100.44	327.30	3.24	-97.20
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000360001	0	40	-2.0	-106.11	373.27	6.14	-99.97
N#CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000360002	0	40	-2.0	-112.51	372.59	6.14	-106.37
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000360003	0	36	-2.0	-105.19	349.31	4.18	-101.01
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000360007	0	43	-2.0	-116.18	383.86	3.64	-112.54
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000360010	0	39	-2.0	-111.31	368.79	4.42	-106.89
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000360013	0	39	-2.0	-112.84	361.20	3.91	-108.93
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000360015	0	36	-2.0	-109.24	348.90	2.86	-106.38
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000360018	1	40	-2.0	-109.72	362.37	3.20	-106.52
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000360020	0	39	-2.0	-105.41	364.85	3.53	-101.88
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000360022	1	36	-2.0	-110.72	347.37	2.88	-107.84
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000360025	0	39	-2.0	-105.30	358.75	2.98	-102.32
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000360026	0	43	-2.0	-115.81	384.68	2.94	-112.87
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000360027	1	42	-2.0	-102.67	376.43	4.66	-98.01
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000360028	1	39	-2.0	-108.49	364.34	3.73	-104.76
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000360029	1	39	-2.0	-100.07	368.77	4.41	-95.66
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000360031	0	36	-2.0	-100.77	347.98	2.97	-97.80
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000360032	1	39	-2.0	-105.92	362.12	3.91	-102.01
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000360033	0	42	-2.0	-114.25	381.48	4.55	-109.70
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000360034	0	39	-2.0	-101.82	361.18	3.92	-97.90
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000360036	0	40	-2.0	-110.75	365.43	1.56	-109.19
CNC(=O)COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000360036	1	40	-2.0	-114.72	364.62	2.36	-112.36
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000360043	0	42	-2.0	-113.96	377.20	4.45	-109.51
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000360044	0	42	-2.0	-118.95	380.73	4.54	-114.41
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(=O)NC)C=C2)C=C1C(=O)[O-]	REAL300000360046	1	43	-2.0	-111.05	383.74	4.07	-106.98
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000360049	0	39	-2.0	-115.55	359.37	3.87	-111.68
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000360050	1	42	-2.0	-107.63	380.65	4.53	-103.10
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000360051	0	38	-2.0	-112.58	351.93	1.96	-110.62
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000360052	0	43	-2.0	-103.25	383.92	3.64	-99.61
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000360053	0	36	-2.0	-99.32	355.87	2.82	-96.50
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(=O)NC)C=C2)C=C(C(=O)[O-])O1	REAL300000360054	0	42	-2.0	-105.18	377.84	3.84	-101.34
CC(C)(C)OC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000360056	1	45	-2.0	-107.68	387.81	5.24	-102.44
CC(C)(C)OC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000360057	0	42	-2.0	-106.92	380.98	4.26	-102.66
CN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)OC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000360058	1	46	-2.0	-106.36	394.45	4.60	-101.76
CC(C)(C)OC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000360059	0	42	-2.0	-107.66	379.44	4.28	-103.38
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)OC(C)(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000360060	0	45	-2.0	-101.71	390.83	4.38	-97.33
CC(C)(C)OC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000360061	0	42	-2.0	-97.66	380.06	4.37	-93.29
CC(C)(C)OC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000360062	0	44	-2.0	-109.66	384.00	3.36	-106.30
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300000360063	0	41	-2.0	-84.26	376.66	4.23	-80.03
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000360064	1	34	-2.0	-101.34	324.73	5.68	-95.66
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1	REAL300000360065	0	42	-2.0	-100.74	379.82	6.74	-94.00
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000360066	1	34	-2.0	-90.12	320.19	5.66	-84.46
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000360067	1	34	-2.0	-101.86	320.21	5.65	-96.21
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000360068	0	38	-2.0	-107.03	348.34	5.44	-101.59
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000360069	1	38	-2.0	-90.03	351.65	6.94	-83.09
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000360070	1	37	-2.0	-104.30	340.28	6.29	-98.01
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000360071	0	34	-2.0	-99.77	333.27	6.22	-93.55
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000360072	1	34	-2.0	-99.64	332.70	6.04	-93.60
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000360073	1	40	-2.0	-107.08	352.59	6.97	-100.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000360074	0	34	-2.0	-101.08	325.68	5.71	-95.37
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000360075	1	40	-2.0	-89.11	363.76	7.24	-81.87
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000360076	0	31	-2.0	-98.10	313.38	4.67	-93.43
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000360077	1	37	-2.0	-102.95	335.63	6.44	-96.51
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000360078	1	38	-2.0	-88.62	351.26	5.93	-82.69
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000360079	0	35	-2.0	-100.43	326.85	5.00	-95.43
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1	REAL300000360080	1	38	-2.0	-103.69	343.99	4.48	-99.21
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000360081	0	34	-2.0	-94.31	329.33	5.33	-88.98
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1	REAL300000360082	1	40	-2.0	-104.31	351.24	6.99	-97.32
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000360083	0	31	-2.0	-99.54	311.85	4.69	-94.85
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300000360084	1	42	-2.0	-102.26	378.48	5.46	-96.80
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300000360085	1	38	-2.0	-107.81	347.49	5.71	-102.10
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1	REAL300000360086	1	44	-2.0	-106.43	375.43	8.27	-98.16
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000360087	1	43	-2.0	-104.95	374.10	7.67	-97.28
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC)C=C1	REAL300000360088	1	40	-2.0	-101.62	350.37	7.38	-94.24
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000360089	0	41	-2.0	-107.44	370.63	6.21	-101.23
COC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000360090	0	37	-2.0	-110.52	351.33	6.17	-104.35
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000360090	1	36	-3.0	-177.29	348.60	6.21	-171.08
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000360091	1	41	-2.0	-109.10	364.45	7.55	-101.55
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000360092	0	34	-2.0	-96.33	323.23	4.79	-91.54
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000360093	1	40	-2.0	-106.64	362.36	5.42	-101.22
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000360094	0	38	-2.0	-104.55	349.16	4.74	-99.81
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1	REAL300000360095	1	42	-2.0	-89.75	373.82	6.27	-83.48
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000360096	0	34	-2.0	-94.65	337.79	6.23	-88.42
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1	REAL300000360097	1	38	-2.0	-87.40	367.30	6.47	-80.93
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1	REAL300000360098	1	41	-2.0	-89.08	371.35	6.64	-82.44
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000360099	1	37	-2.0	-95.92	340.92	6.47	-89.45
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000360100	1	38	-2.0	-88.37	357.49	5.99	-82.38
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000360101	1	41	-2.0	-110.17	369.33	6.62	-103.55
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000360102	0	34	-2.0	-99.59	328.82	5.56	-94.03
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000360103	0	34	-2.0	-89.33	333.25	6.21	-83.12
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000360104	1	34	-2.0	-89.84	324.73	5.69	-84.15
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000360105	0	31	-2.0	-91.59	312.46	4.78	-86.81
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000360106	0	34	-2.0	-94.67	326.60	5.71	-88.96
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000360107	0	37	-2.0	-102.31	345.96	6.35	-95.96
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000360108	0	38	-2.0	-92.56	360.50	6.29	-86.27
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000360109	0	34	-2.0	-90.89	325.66	5.72	-85.17
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000360110	1	34	-2.0	-87.83	332.70	6.05	-81.78
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000360111	1	37	-2.0	-97.58	349.65	6.86	-90.72
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1	REAL300000360112	0	42	-2.0	-87.01	383.94	7.06	-79.95
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000360113	1	34	-2.0	-93.15	331.02	5.74	-87.41
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000360114	0	36	-2.0	-88.99	348.39	6.32	-82.67
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000360115	0	35	-2.0	-101.86	329.91	3.37	-98.49
COC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000360115	1	35	-2.0	-104.92	329.14	4.15	-100.77
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000360116	1	37	-2.0	-93.33	342.36	6.43	-86.90
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000360117	1	34	-2.0	-94.44	340.90	6.18	-88.26
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000360118	1	37	-2.0	-99.66	333.48	6.40	-93.26
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000360119	1	37	-2.0	-102.63	345.03	6.30	-96.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000360120	1	37	-2.0	-92.20	335.61	6.43	-85.77
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000360121	1	40	-2.0	-106.45	353.07	6.71	-99.74
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000360122	0	36	-2.0	-101.04	346.77	6.73	-94.31
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000360123	0	34	-2.0	-92.78	331.95	5.77	-87.01
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1	REAL300000360124	1	40	-2.0	-102.72	353.59	7.05	-95.67
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000360125	0	37	-2.0	-102.10	341.68	6.25	-95.85
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000360126	0	37	-2.0	-101.42	351.96	6.78	-94.64
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000360127	0	37	-2.0	-107.79	345.21	6.34	-101.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000360128	1	40	-2.0	-105.30	354.13	6.83	-98.47
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=C1	REAL300000360129	1	41	-2.0	-104.38	370.67	5.78	-98.60
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000360130	1	37	-2.0	-92.97	346.98	6.79	-86.18
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000360131	1	37	-2.0	-101.30	351.42	6.61	-94.69
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000360132	0	38	-2.0	-101.57	348.22	5.87	-95.70
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=C1	REAL300000360133	1	46	-2.0	-101.84	385.35	8.51	-93.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000360134	1	37	-2.0	-96.52	353.98	6.72	-89.80
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1	REAL300000360135	0	43	-2.0	-99.63	369.64	7.78	-91.85
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1	REAL300000360136	0	38	-2.0	-103.18	360.52	6.29	-96.89
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000360137	1	37	-2.0	-91.79	336.20	6.19	-85.60
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300000360138	0	39	-2.0	-95.88	360.92	7.83	-88.05
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1	REAL300000360139	1	37	-2.0	-102.97	340.15	6.47	-96.50
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000360140	0	36	-2.0	-109.22	343.95	7.51	-101.71
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000360141	0	34	-2.0	-106.00	323.85	5.67	-100.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000360142	1	37	-2.0	-94.74	345.16	6.32	-88.42
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000360143	1	40	-2.0	-109.91	361.23	7.77	-102.14
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000360144	0	33	-2.0	-101.17	316.41	3.78	-97.39
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000360145	0	38	-2.0	-95.72	348.40	5.45	-90.27
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000360146	0	31	-2.0	-90.23	320.35	4.62	-85.61
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000360147	1	41	-2.0	-95.81	364.18	7.47	-88.34
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000360148	1	41	-2.0	-100.86	365.64	7.53	-93.33
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000360149	0	37	-2.0	-96.22	342.32	5.64	-90.58
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2Cl)=C1	REAL300000360159	1	28	-2.0	-100.26	303.81	6.16	-94.10
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2Cl)=C1	REAL300000360161	1	25	-2.0	-97.52	291.54	5.11	-92.41
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2Cl)=C1	REAL300000360166	1	28	-2.0	-93.74	307.46	5.77	-87.97
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000360173	0	31	-2.0	-105.87	326.22	6.58	-99.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2Cl)S1	REAL300000360185	1	25	-2.0	-92.60	290.61	5.21	-87.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2Cl)=C1F	REAL300000360187	1	31	-2.0	-101.46	324.10	6.79	-94.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2Cl)C(F)=C1	REAL300000360188	1	28	-2.0	-90.15	303.81	6.16	-83.99
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(Cl)=CC=C2Cl)=C1	REAL300000360193	0	29	-2.0	-106.77	303.01	4.15	-102.62
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2Cl)=C1	REAL300000360201	1	28	-2.0	-92.12	310.10	6.21	-85.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000360203	1	31	-2.0	-102.33	323.66	6.78	-95.55
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2Cl)=C1	REAL300000360205	1	31	-2.0	-107.38	323.39	6.78	-100.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2Cl)=C1[N+](=O)[O-]	REAL300000360214	1	30	-2.0	-109.60	322.07	7.94	-101.66
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2Cl)=C1F	REAL300000360215	1	28	-2.0	-106.84	301.98	6.12	-100.72
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2Cl)=C1	REAL300000360218	0	27	-2.0	-100.25	295.32	4.15	-96.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2Cl)=C(Cl)O1	REAL300000360220	1	25	-2.0	-91.32	298.48	5.06	-86.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=C(OC)C(OC)=C1	REAL300000360227	1	40	-2.0	-115.75	354.33	4.17	-111.58
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1OC	REAL300000360230	1	36	-2.0	-105.81	339.26	4.94	-100.87
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1OC	REAL300000360233	1	36	-2.0	-107.34	331.66	4.43	-102.91
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1OC	REAL300000360235	0	33	-2.0	-103.89	319.37	3.40	-100.49
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1OC	REAL300000360240	1	36	-2.0	-100.04	335.32	4.06	-95.98
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=C(OC)C(OC)=C1	REAL300000360246	1	43	-2.0	-115.76	376.62	4.94	-110.82
COC1=CC(F)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1OC	REAL300000360247	0	39	-2.0	-109.32	359.14	4.77	-104.55
COC1=CC(F)=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1OC	REAL300000360249	1	36	-2.0	-104.04	329.19	3.52	-100.52
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1OC	REAL300000360250	1	40	-2.0	-110.52	355.15	3.46	-107.06
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1OC	REAL300000360257	1	33	-2.0	-98.82	318.44	3.51	-95.31
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1OC	REAL300000360259	1	39	-2.0	-108.79	351.93	5.07	-103.72
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1OC	REAL300000360260	1	36	-2.0	-96.49	331.65	4.44	-92.05
COC1=CC(F)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1OC	REAL300000360263	0	37	-2.0	-106.12	338.59	2.84	-103.28
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1OC	REAL300000360269	1	36	-2.0	-98.85	337.92	4.49	-94.36
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1OC	REAL300000360271	1	39	-2.0	-108.43	347.66	4.97	-103.46
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1OC	REAL300000360272	1	39	-2.0	-113.94	351.22	5.06	-108.88
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1OC	REAL300000360278	1	36	-2.0	-113.13	329.81	4.40	-108.73
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1OC	REAL300000360280	0	35	-2.0	-107.50	323.16	2.44	-105.06
COC1=CC(F)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1OC	REAL300000360282	1	33	-2.0	-97.65	326.29	3.36	-94.29
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C=C2F)C=C(C(=O)[O-])O1	REAL300000360285	1	39	-2.0	-104.16	348.31	4.37	-99.79
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000360286	0	34	-2.0	-103.78	332.17	5.85	-97.93
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000360287	0	34	-2.0	-95.46	327.62	5.83	-89.63
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000360288	0	34	-2.0	-108.86	327.65	5.82	-103.04
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000360289	0	38	-2.0	-112.62	355.78	5.62	-107.00
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000360290	0	38	-2.0	-94.63	359.10	7.12	-87.51
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000360291	0	37	-2.0	-109.99	343.66	6.35	-103.64
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000360292	0	34	-2.0	-102.93	340.71	6.39	-96.54
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000360293	0	34	-2.0	-102.10	340.14	6.21	-95.89
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000360294	0	40	-2.0	-107.45	360.31	7.17	-100.28
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000360295	0	34	-2.0	-104.47	333.11	5.88	-98.59
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000360296	0	40	-2.0	-94.34	371.21	7.41	-86.93
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000360297	0	31	-2.0	-103.02	320.82	4.83	-98.19
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000360298	0	37	-2.0	-108.22	343.07	6.60	-101.62
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000360299	0	38	-2.0	-93.57	358.72	6.11	-87.46
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000360300	0	35	-2.0	-104.80	334.29	5.17	-99.63
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000360301	0	38	-2.0	-106.08	351.42	4.66	-101.42
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000360302	0	34	-2.0	-98.83	336.75	5.51	-93.32
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000360303	0	40	-2.0	-109.42	359.09	7.13	-102.29
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000360304	0	31	-2.0	-102.19	319.30	4.85	-97.34
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000360305	0	38	-2.0	-111.87	354.93	5.89	-105.98
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000360306	0	43	-2.0	-110.39	381.54	7.82	-102.57
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(=O)OC	REAL300000360307	0	40	-2.0	-103.09	357.11	7.53	-95.56
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000360308	0	41	-2.0	-114.46	378.07	6.39	-108.07
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000360309	0	36	-3.0	-182.93	356.04	6.38	-176.55
COC(=O)C1=C(F)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000360309	1	37	-2.0	-112.31	355.54	6.28	-106.03
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000360310	0	41	-2.0	-109.44	371.88	7.71	-101.73
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000360311	0	34	-2.0	-101.77	330.64	4.97	-96.80
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000360312	0	38	-2.0	-111.57	356.56	4.92	-106.65
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000360313	0	41	-2.0	-94.07	378.80	6.81	-87.26
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000360314	0	37	-2.0	-96.94	348.35	6.64	-90.30
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000360315	0	41	-2.0	-115.61	376.79	6.80	-108.81
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000360316	0	34	-2.0	-102.35	337.33	5.70	-96.65
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000360317	0	34	-2.0	-92.97	340.69	6.38	-86.59
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000360318	0	34	-2.0	-95.46	332.15	5.86	-89.60
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000360319	0	31	-2.0	-97.54	319.90	4.95	-92.59
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000360320	0	34	-2.0	-99.74	334.05	5.89	-93.85
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000360321	0	37	-2.0	-105.98	353.39	6.52	-99.46
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000360322	0	34	-2.0	-94.75	333.10	5.89	-88.86
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000360323	0	34	-2.0	-93.29	340.12	6.22	-87.07
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000360324	0	34	-2.0	-96.00	338.46	5.91	-90.09
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000360325	0	36	-2.0	-93.86	355.83	6.49	-87.37
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000360326	0	35	-2.0	-106.41	337.35	3.53	-102.88
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000360327	0	37	-2.0	-100.38	349.82	6.61	-93.77
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000360328	0	37	-2.0	-103.31	337.68	6.46	-96.85
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000360329	0	37	-2.0	-108.01	352.47	6.47	-101.54
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000360330	0	37	-2.0	-95.68	343.05	6.58	-89.10
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000360331	0	40	-2.0	-108.82	361.10	6.90	-101.92
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000360332	0	36	-2.0	-104.80	354.19	6.92	-97.88
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000360333	0	34	-2.0	-96.44	339.38	5.95	-90.49
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000360334	0	40	-2.0	-110.54	361.17	7.22	-103.32
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000360335	0	37	-2.0	-105.16	352.96	6.52	-98.64
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000360336	0	37	-2.0	-111.70	352.67	6.51	-105.19
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000360337	0	40	-2.0	-110.75	361.96	7.01	-103.74
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000360338	0	41	-2.0	-109.06	378.11	5.95	-103.11
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000360339	0	38	-2.0	-108.28	355.59	6.03	-102.25
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000360340	0	37	-2.0	-95.41	343.64	6.36	-89.05
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000360341	0	37	-2.0	-103.34	347.18	6.66	-96.68
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000360342	0	36	-2.0	-118.12	351.36	7.67	-110.45
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000360343	0	34	-2.0	-114.71	331.27	5.85	-108.86
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000360344	0	37	-2.0	-98.22	348.81	6.39	-91.83
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000360345	0	33	-2.0	-102.68	324.62	3.87	-98.81
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000360346	0	38	-2.0	-99.47	355.84	5.61	-93.86
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000360347	0	31	-2.0	-94.70	327.74	4.80	-89.90
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000360348	0	41	-2.0	-101.01	372.23	7.67	-93.34
COC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000360349	0	41	-2.0	-96.13	372.72	7.71	-88.42
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000360350	0	37	-2.0	-98.89	349.75	5.82	-93.07
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000360351	0	36	-2.0	-118.13	338.17	4.46	-113.67
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000360352	0	36	-2.0	-108.26	333.62	4.44	-103.82
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000360353	0	36	-2.0	-120.66	333.64	4.43	-116.23
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000360354	0	40	-2.0	-124.31	361.78	4.24	-120.07
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000360355	0	40	-2.0	-107.19	365.09	5.73	-101.46
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000360356	0	39	-2.0	-121.91	349.66	4.97	-116.94
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000360357	0	36	-2.0	-114.60	346.71	4.99	-109.61
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000360358	0	36	-2.0	-116.55	346.14	4.82	-111.73
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000360359	0	42	-2.0	-121.15	366.03	5.73	-115.42
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000360360	0	36	-2.0	-116.45	339.12	4.49	-111.96
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000360361	0	42	-2.0	-106.16	377.20	6.02	-100.14
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000360362	0	33	-2.0	-114.92	326.82	3.46	-111.46
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000360363	0	39	-2.0	-119.26	349.07	5.21	-114.05
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000360364	0	40	-2.0	-106.07	364.71	4.72	-101.35
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000360365	0	37	-2.0	-119.44	340.28	3.79	-115.65
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000360366	0	40	-2.0	-119.89	357.85	3.24	-116.65
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000360367	0	36	-2.0	-111.02	342.75	4.12	-106.90
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000360368	0	42	-2.0	-120.53	365.10	5.74	-114.79
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000360369	0	33	-2.0	-116.46	325.29	3.47	-112.99
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000360370	0	40	-2.0	-126.65	360.92	4.50	-122.15
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000360371	0	45	-2.0	-121.23	387.54	6.40	-114.83
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC=C1OC	REAL300000360372	0	42	-2.0	-116.58	363.76	5.94	-110.64
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000360373	0	43	-2.0	-126.94	384.07	5.00	-121.94
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000360374	0	38	-3.0	-198.12	362.04	5.00	-193.12
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000360375	0	43	-2.0	-123.62	377.88	6.31	-117.31
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000360376	0	36	-2.0	-113.02	336.65	3.58	-109.44
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000360377	0	40	-2.0	-124.43	362.54	3.53	-120.90
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000360378	0	43	-2.0	-106.48	384.78	5.42	-101.06
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000360379	0	39	-2.0	-110.28	354.35	5.23	-105.05
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000360380	0	40	-2.0	-105.47	370.93	4.78	-100.69
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC=C2OC)C=C1C(=O)[O-]	REAL300000360381	0	43	-2.0	-127.31	382.77	5.41	-121.90
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000360382	0	36	-2.0	-115.93	342.24	4.33	-111.60
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000360383	0	36	-2.0	-105.78	346.68	4.98	-100.80
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000360384	0	36	-2.0	-107.70	338.15	4.47	-103.23
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000360385	0	33	-2.0	-109.79	325.91	3.56	-106.23
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000360386	0	36	-2.0	-111.56	340.04	4.50	-107.06
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000360387	0	39	-2.0	-117.90	359.40	5.14	-112.76
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000360388	0	36	-2.0	-107.88	339.12	4.50	-103.38
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000360389	0	36	-2.0	-105.76	346.12	4.83	-100.93
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000360390	0	39	-2.0	-111.81	363.08	5.62	-106.19
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000360391	0	36	-2.0	-109.69	344.46	4.52	-105.17
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000360392	0	38	-2.0	-105.59	361.83	5.10	-100.49
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000360393	0	37	-2.0	-117.19	343.35	2.15	-115.04
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000360393	1	36	-3.0	-220.35	339.79	3.03	-217.32
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000360394	0	39	-2.0	-110.36	355.80	5.22	-105.14
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000360395	0	39	-2.0	-118.45	343.18	5.04	-113.41
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000360396	0	39	-2.0	-119.58	358.47	5.08	-114.50
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000360397	0	39	-2.0	-107.92	349.05	5.20	-102.72
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000360398	0	42	-2.0	-125.45	370.44	5.60	-119.85
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000360399	0	38	-2.0	-118.82	360.19	5.52	-113.30
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000360400	0	36	-2.0	-108.53	345.40	4.56	-103.97
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000360401	0	42	-2.0	-122.89	368.12	5.80	-117.09
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000360402	0	39	-2.0	-117.61	355.11	5.03	-112.58
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000360403	0	39	-2.0	-116.46	365.40	5.56	-110.90
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000360404	0	39	-2.0	-127.64	358.68	5.12	-122.52
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC=C2OC)C=C1C(=O)[O-]	REAL300000360405	0	42	-2.0	-122.60	367.87	5.62	-116.98
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC=C2OC)C=C1CC(=O)[O-]	REAL300000360406	0	43	-2.0	-120.72	384.10	4.56	-116.16
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000360407	0	39	-2.0	-111.34	359.90	5.54	-105.80
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000360408	0	39	-2.0	-118.38	364.86	5.39	-112.99
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC=C2OC)C=C1C(=O)[O-]	REAL300000360409	0	40	-2.0	-120.81	361.67	4.65	-116.16
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000360410	0	39	-2.0	-115.47	367.37	5.50	-109.97
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000360411	0	39	-2.0	-108.44	349.64	4.98	-103.46
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000360412	0	39	-2.0	-116.54	353.59	5.23	-111.31
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000360413	0	38	-2.0	-129.85	357.37	6.29	-123.56
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000360414	0	36	-2.0	-126.78	337.26	4.46	-122.32
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000360415	0	39	-2.0	-113.61	358.58	5.11	-108.50
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000360416	0	35	-2.0	-118.39	329.86	2.57	-115.82
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000360417	0	40	-2.0	-112.30	361.84	4.24	-108.06
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000360418	0	33	-2.0	-107.60	333.79	3.41	-104.19
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000360419	0	43	-2.0	-113.80	379.76	6.32	-107.48
COC1=CC=CC=C1C(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000360420	0	43	-2.0	-120.65	379.08	6.32	-114.33
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC=C2OC)C=C(C(=O)[O-])O1	REAL300000360421	0	39	-2.0	-112.42	355.77	4.36	-108.06
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(Cl)=C2)=C1	REAL300000360426	0	40	-2.0	-101.78	359.88	5.99	-95.79
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(Cl)=C2)=C1	REAL300000360427	0	37	-2.0	-101.92	347.59	4.94	-96.98
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000360429	1	41	-2.0	-103.24	361.05	5.27	-97.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(Cl)=C2)=CS1	REAL300000360430	1	37	-2.0	-103.14	346.04	4.96	-98.18
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000360431	0	40	-2.0	-98.70	357.41	5.06	-93.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(Cl)=C2)S1	REAL300000360433	0	37	-2.0	-94.25	346.69	5.05	-89.20
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(Cl)=C2)=C1	REAL300000360434	1	40	-2.0	-98.48	360.79	5.99	-92.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(Cl)=C2)C(F)=C1	REAL300000360435	0	40	-2.0	-92.04	359.88	6.00	-86.04
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3CCCC3)C(Cl)=C2)=C1	REAL300000360436	0	41	-2.0	-103.40	363.31	4.54	-98.86
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(Cl)=C2)=C1	REAL300000360436	1	41	-2.0	-104.27	364.12	3.64	-100.63
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000360440	1	44	-2.0	-107.31	382.41	6.13	-101.18
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(Cl)=C2)=C1F	REAL300000360442	0	40	-2.0	-110.89	358.06	5.96	-104.93
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(Cl)=C2)=C1	REAL300000360443	0	39	-2.0	-105.50	351.39	3.98	-101.52
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000360444	0	43	-2.0	-98.50	376.53	5.91	-92.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCC2CCCO2)C=C1	REAL300000360445	0	43	-2.0	-104.58	380.25	5.80	-98.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCC2CCCO2)=C1	REAL300000360446	0	43	-2.0	-117.09	380.25	5.79	-111.30
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCC2CCCO2)C=C1C(=O)[O-]	REAL300000360447	0	44	-2.0	-115.47	386.90	5.15	-110.32
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCC2CCCO2)C=C(C(=O)[O-])O1	REAL300000360448	0	43	-2.0	-110.13	383.26	4.94	-105.19
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCC2CCCO2)=C1	REAL300000360449	0	42	-2.0	-116.15	376.46	3.91	-112.24
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3=CC=NC=C3)C=C2)=C1	REAL300000360453	0	38	-2.0	-101.15	365.03	5.52	-95.63
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300000360455	1	42	-2.0	-105.30	378.50	5.86	-99.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=CC=NC=C3)C=C2)=CS1	REAL300000360456	1	38	-2.0	-102.55	363.50	5.54	-97.01
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=CC=NC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000360457	0	41	-2.0	-101.03	374.86	5.64	-95.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=CC=NC=C3)C=C2)S1	REAL300000360458	0	38	-2.0	-96.24	364.12	5.64	-90.60
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCC3=CC=NC=C3)C=C2)=C1	REAL300000360463	0	40	-2.0	-104.43	368.06	4.62	-99.81
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)=CC=C1F	REAL300000360464	0	39	-2.0	-112.04	368.63	6.10	-105.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)C=C1	REAL300000360465	0	39	-2.0	-102.22	364.09	6.08	-96.14
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)=CC=C1	REAL300000360466	0	39	-2.0	-113.29	364.10	6.07	-107.22
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)C=C1	REAL300000360467	0	43	-2.0	-101.30	395.55	7.37	-93.93
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000360468	0	42	-2.0	-114.35	380.14	6.61	-107.74
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)=C1	REAL300000360469	0	39	-2.0	-109.28	369.58	6.13	-103.15
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)=C1	REAL300000360470	0	36	-2.0	-108.12	357.28	5.09	-103.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CN1C=CC2=CC=CC=C21	REAL300000360471	0	42	-2.0	-112.28	379.53	6.84	-105.44
CN1C=C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000360472	0	40	-2.0	-112.29	370.75	5.43	-106.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)=C1	REAL300000360473	0	39	-2.0	-104.87	373.22	5.76	-99.11
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)=CS1	REAL300000360474	0	36	-2.0	-109.41	355.75	5.11	-104.30
CC1=C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000360475	0	39	-2.0	-106.73	367.11	5.22	-101.51
CC1=C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300000360476	0	39	-2.0	-109.24	372.70	5.97	-103.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)C=C1F	REAL300000360477	0	39	-2.0	-101.94	368.62	6.11	-95.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)S1	REAL300000360478	0	36	-2.0	-103.72	356.37	5.20	-98.52
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)=CC(F)=C1	REAL300000360479	0	39	-2.0	-104.65	370.51	6.14	-98.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)C(F)=C1	REAL300000360480	0	39	-2.0	-101.75	369.56	6.14	-95.61
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)=C1	REAL300000360481	0	40	-2.0	-110.29	373.82	3.80	-106.49
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)=C1	REAL300000360481	1	39	-3.0	-208.55	370.25	4.67	-203.88
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)C=C1	REAL300000360482	0	42	-2.0	-103.97	386.27	6.86	-97.11
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)CN1C=CC2=CC=CC=C21	REAL300000360483	0	42	-2.0	-112.01	374.17	6.68	-105.33
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CN1C=CC2=CC=CC=C21	REAL300000360484	0	42	-2.0	-101.98	379.51	6.83	-95.15
CCN1C=C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000360485	0	43	-2.0	-113.52	392.12	6.29	-107.23
CC1=CC(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000360486	0	42	-2.0	-102.26	380.11	6.61	-95.65
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)=CC=C1	REAL300000360487	0	39	-2.0	-120.00	367.76	6.11	-113.89
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)=C1	REAL300000360488	0	38	-2.0	-108.82	361.08	4.13	-104.69
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)=C(Cl)O1	REAL300000360489	0	36	-2.0	-101.54	364.25	5.05	-96.49
CCC1=C(S(=O)(=O)[N-]NC(=O)CN2C=CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000360490	0	42	-2.0	-106.23	386.22	6.00	-100.23
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000360491	1	40	-2.0	-106.72	368.56	7.28	-99.44
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000360493	1	40	-2.0	-109.31	364.04	7.25	-102.06
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000360494	0	44	-2.0	-114.92	392.16	7.05	-107.87
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000360495	1	44	-2.0	-96.02	395.47	8.55	-87.47
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000360497	0	40	-2.0	-104.90	377.09	7.83	-97.07
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000360498	1	40	-2.0	-105.05	376.53	7.64	-97.41
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000360499	1	46	-2.0	-111.59	396.42	8.57	-103.02
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000360500	0	40	-2.0	-106.53	369.50	7.32	-99.21
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000360501	1	46	-2.0	-95.44	407.59	8.84	-86.60
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000360502	0	37	-2.0	-103.02	357.21	6.27	-96.75
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000360503	1	43	-2.0	-110.32	379.46	8.04	-102.28
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000360505	1	41	-2.0	-107.68	370.67	6.61	-101.07
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000360507	0	40	-2.0	-99.27	373.13	6.93	-92.34
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000360509	0	37	-2.0	-104.93	355.68	6.29	-98.64
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCC(=O)OC)C=C1	REAL300000360511	1	46	-2.0	-108.73	394.16	8.97	-99.76
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000360512	0	40	-2.0	-103.31	367.06	6.39	-96.92
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000360513	0	44	-2.0	-110.22	392.99	6.35	-103.87
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000360514	1	43	-2.0	-100.78	384.73	8.07	-92.71
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000360515	1	40	-2.0	-106.79	372.62	7.15	-99.64
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000360516	0	40	-2.0	-94.03	377.08	7.82	-86.21
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000360517	1	40	-2.0	-95.93	368.56	7.30	-88.63
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000360518	0	37	-2.0	-98.07	356.28	6.38	-91.69
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000360519	1	40	-2.0	-100.07	370.43	7.32	-92.75
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000360520	0	43	-2.0	-107.95	389.79	7.96	-99.99
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000360521	0	40	-2.0	-95.76	369.49	7.33	-88.43
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000360522	1	40	-2.0	-93.98	376.52	7.66	-86.32
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000360523	1	40	-2.0	-97.68	374.85	7.35	-90.33
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000360524	0	41	-2.0	-109.30	373.74	4.97	-104.33
COC(=O)CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000360524	1	41	-2.0	-105.61	372.93	5.76	-99.85
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000360525	1	43	-2.0	-100.11	386.19	8.03	-92.08
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000360526	1	43	-2.0	-106.22	377.85	8.00	-98.22
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000360527	1	43	-2.0	-107.48	388.86	7.91	-99.57
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000360530	0	40	-2.0	-98.02	375.77	7.38	-90.64
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000360532	0	43	-2.0	-107.23	385.51	7.86	-99.37
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000360533	0	43	-2.0	-113.98	389.04	7.95	-106.03
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CCC(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000360535	1	44	-2.0	-108.97	392.05	7.48	-101.49
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000360538	0	40	-2.0	-112.54	367.68	7.28	-105.26
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000360539	1	43	-2.0	-101.36	388.99	7.92	-93.44
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000360540	0	39	-2.0	-106.87	360.23	5.37	-101.50
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000360541	0	44	-2.0	-100.73	392.23	7.05	-93.68
COC(=O)CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000360542	0	37	-2.0	-96.95	364.17	6.23	-90.72
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CCC(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000360543	0	43	-2.0	-103.26	386.15	7.25	-96.01
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000360544	0	34	-2.0	-101.07	324.07	4.30	-96.77
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000360545	0	34	-2.0	-93.82	316.45	4.18	-89.64
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000360546	0	34	-2.0	-104.77	319.61	4.26	-100.51
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C(F)F)N=C1C	REAL300000360547	0	38	-2.0	-111.12	344.60	3.94	-107.18
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000360548	0	38	-2.0	-93.21	347.93	5.46	-87.75
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000360549	0	37	-2.0	-103.86	334.31	4.83	-99.03
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000360550	0	34	-2.0	-100.01	330.33	4.79	-95.22
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000360551	0	34	-2.0	-99.28	332.04	4.66	-94.62
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000360552	0	40	-2.0	-109.08	348.38	5.50	-103.58
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000360553	0	34	-2.0	-101.37	322.74	4.30	-97.07
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000360554	0	40	-2.0	-92.25	360.04	5.75	-86.50
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000360555	0	31	-2.0	-99.39	312.79	3.28	-96.11
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000360556	0	37	-2.0	-107.14	330.90	4.98	-102.16
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000360557	0	38	-2.0	-91.91	347.55	4.45	-87.46
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000360558	0	35	-2.0	-103.42	326.17	3.62	-99.80
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000360559	0	38	-2.0	-105.77	340.90	3.09	-102.68
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000360560	0	34	-2.0	-96.33	325.58	3.86	-92.47
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000360561	0	40	-2.0	-106.87	350.13	5.63	-101.24
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000360562	0	31	-2.0	-100.66	311.18	3.30	-97.36
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000360563	0	38	-2.0	-110.76	346.82	4.33	-106.43
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000360564	0	44	-2.0	-109.03	374.66	6.90	-102.13
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000360565	0	43	-2.0	-108.84	369.31	6.21	-102.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C(F)F)N=C1C	REAL300000360566	0	40	-2.0	-105.43	345.63	5.92	-99.51
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C(F)F)N=C1C	REAL300000360567	0	41	-2.0	-110.36	366.90	4.70	-105.66
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000360568	0	36	-3.0	-180.32	344.60	4.71	-175.61
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000360569	0	41	-2.0	-111.20	359.80	6.08	-105.12
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000360570	0	34	-2.0	-100.73	321.29	3.28	-97.45
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000360571	0	38	-2.0	-106.46	345.14	3.10	-103.36
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000360572	0	34	-2.0	-99.10	333.86	4.78	-94.32
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000360573	0	41	-2.0	-90.90	370.68	5.26	-85.64
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000360574	0	37	-2.0	-98.21	336.94	5.00	-93.21
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000360575	0	38	-2.0	-90.39	356.14	4.58	-85.81
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000360576	0	41	-2.0	-109.80	368.67	5.25	-104.55
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000360577	0	34	-2.0	-102.10	329.11	4.17	-97.93
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000360578	0	34	-2.0	-91.24	329.26	4.74	-86.50
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000360579	0	34	-2.0	-92.30	323.36	4.28	-88.02
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000360580	0	31	-2.0	-95.24	308.62	3.30	-91.94
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000360581	0	34	-2.0	-97.95	323.23	4.05	-93.90
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000360582	0	37	-2.0	-104.56	342.14	4.88	-99.68
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000360583	0	34	-2.0	-92.67	321.91	4.24	-88.43
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000360584	0	34	-2.0	-90.15	331.33	4.65	-85.50
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000360585	0	37	-2.0	-99.87	345.68	5.38	-94.49
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000360586	0	34	-2.0	-95.45	327.64	4.08	-91.37
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000360587	0	36	-2.0	-91.41	345.01	4.65	-86.76
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000360588	0	35	-2.0	-105.92	326.19	1.85	-104.07
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000360589	0	37	-2.0	-97.24	338.65	4.94	-92.30
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000360590	0	34	-2.0	-96.80	337.53	4.51	-92.29
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000360591	0	37	-2.0	-101.79	329.72	4.92	-96.87
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000360592	0	37	-2.0	-104.18	341.29	4.82	-99.36
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000360593	0	37	-2.0	-94.03	330.88	4.97	-89.06
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000360594	0	40	-2.0	-108.95	348.76	5.25	-103.70
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000360595	0	36	-2.0	-102.31	346.15	5.36	-96.95
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000360596	0	34	-2.0	-95.97	328.26	4.12	-91.85
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000360597	0	40	-2.0	-105.30	349.83	5.58	-99.72
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000360598	0	37	-2.0	-105.28	341.11	4.89	-100.39
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=C(Cl)C(C)=CC(C(=O)[O-])=C1	REAL300000360599	0	37	-2.0	-103.74	348.00	5.31	-98.43
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000360600	0	37	-2.0	-109.63	341.54	4.68	-104.95
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000360601	0	40	-2.0	-104.77	353.47	5.47	-99.30
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C(F)F)N=C2C)C=C1CC(=O)[O-]	REAL300000360602	0	41	-2.0	-106.68	370.00	4.40	-102.28
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000360603	0	37	-2.0	-94.56	342.15	5.37	-89.19
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C(C)=C1	REAL300000360604	0	37	-2.0	-102.80	347.69	5.14	-97.66
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(C(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000360605	0	38	-2.0	-103.30	347.48	4.48	-98.82
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000360606	0	37	-2.0	-98.34	345.80	5.16	-93.18
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000360607	0	37	-2.0	-92.59	335.17	4.83	-87.76
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000360608	0	37	-2.0	-103.37	336.65	5.08	-98.29
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000360609	0	36	-2.0	-110.66	340.00	5.99	-104.67
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000360610	0	34	-2.0	-108.12	320.03	4.21	-103.91
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000360611	0	37	-2.0	-96.75	337.13	4.76	-91.99
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000360612	0	40	-2.0	-112.45	356.53	6.31	-106.14
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000360613	0	33	-2.0	-102.11	316.17	2.21	-99.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)N(C(F)F)N=C1C	REAL300000360614	0	38	-2.0	-97.51	344.66	3.95	-93.56
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000360615	0	31	-2.0	-94.89	316.34	3.12	-91.77
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000360616	0	41	-2.0	-101.15	364.67	5.85	-95.30
CC1=NN(C(F)F)C(C)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000360617	0	41	-2.0	-101.77	360.28	6.01	-95.76
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(C(F)F)N=C2C)C=C(C(=O)[O-])O1	REAL300000360618	0	37	-2.0	-100.86	337.83	4.14	-96.72
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000360621	1	39	-2.0	-105.73	342.41	5.92	-99.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCC(=O)N2C	REAL300000360622	0	43	-2.0	-111.51	370.57	5.73	-105.78
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C21	REAL300000360623	1	43	-2.0	-93.28	373.86	7.21	-86.07
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C21	REAL300000360625	0	39	-2.0	-101.72	355.50	6.50	-95.22
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000360626	1	39	-2.0	-101.55	354.92	6.31	-95.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCC(=O)N3C)=C1C	REAL300000360627	1	45	-2.0	-109.41	374.25	7.24	-102.17
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C21	REAL300000360628	0	39	-2.0	-103.22	347.90	5.99	-97.23
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300000360629	1	45	-2.0	-92.57	385.16	7.49	-85.08
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000360630	0	36	-2.0	-100.25	335.61	4.94	-95.31
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCC(=O)N2C	REAL300000360631	1	42	-2.0	-107.27	357.01	6.68	-100.59
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCC(=O)N3C)C=C1C(=O)[O-]	REAL300000360633	1	40	-2.0	-104.21	348.23	5.24	-98.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCC(=O)N3C)=C1	REAL300000360635	0	39	-2.0	-96.32	350.69	5.58	-90.74
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000360637	0	36	-2.0	-101.45	334.06	4.96	-96.49
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCC(=O)N2C	REAL300000360639	1	45	-2.0	-105.80	372.55	7.66	-98.14
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCC(=O)N3C)C=C(C(=O)[O-])O1	REAL300000360640	0	39	-2.0	-100.35	345.42	5.05	-95.30
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCC(=O)N3C)=C1	REAL300000360641	0	43	-2.0	-106.56	371.41	5.03	-101.53
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCC(=O)N2C	REAL300000360642	1	42	-2.0	-97.90	362.29	6.72	-91.18
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCC(=O)N3C)C=C(C(=O)[O-])S1	REAL300000360643	1	39	-2.0	-103.74	351.03	5.82	-97.92
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C21	REAL300000360644	0	39	-2.0	-91.17	355.48	6.49	-84.68
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000360645	1	39	-2.0	-93.24	346.92	5.96	-87.28
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000360646	0	36	-2.0	-95.18	333.85	5.03	-90.15
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000360647	1	39	-2.0	-96.76	348.83	5.99	-90.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCC(=O)N3C)=C1F	REAL300000360648	0	42	-2.0	-104.56	368.17	6.63	-97.93
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300000360649	0	39	-2.0	-92.81	347.89	6.00	-86.81
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000360650	1	39	-2.0	-91.25	354.90	6.32	-84.93
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000360651	1	39	-2.0	-94.94	352.41	5.99	-88.95
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C21	REAL300000360652	0	40	-2.0	-106.32	352.14	3.65	-102.67
CN1C(=O)CCC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C21	REAL300000360652	1	40	-2.0	-105.84	351.29	4.43	-101.41
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C21	REAL300000360653	1	42	-2.0	-97.20	364.58	6.70	-90.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCC(=O)N2C	REAL300000360654	1	42	-2.0	-101.47	351.62	6.54	-94.93
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C21	REAL300000360658	0	39	-2.0	-94.88	354.18	6.06	-88.82
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCC(=O)N3C)C=C1C(=O)[O-]	REAL300000360660	0	42	-2.0	-104.23	363.90	6.53	-97.70
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCC(=O)N3C)=C1	REAL300000360661	0	42	-2.0	-109.82	367.46	6.62	-103.20
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCC(=O)N3C)C=C1C(=O)[O-]	REAL300000360663	1	43	-2.0	-105.43	369.60	6.10	-99.33
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000360666	0	39	-2.0	-109.10	345.20	5.92	-103.18
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCC(=O)N3C)C=C1C(=O)[O-]	REAL300000360667	1	42	-2.0	-98.29	367.36	6.60	-91.69
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000360668	0	38	-2.0	-103.41	338.57	3.95	-99.46
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCC(=O)N2C	REAL300000360669	0	43	-2.0	-97.78	369.79	5.69	-92.09
CN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C21	REAL300000360670	0	36	-2.0	-94.02	342.56	4.91	-89.11
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCC(=O)N3C)C=C(C(=O)[O-])O1	REAL300000360671	0	42	-2.0	-100.30	364.54	5.91	-94.39
CNC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000360676	0	42	-2.0	-109.50	382.15	3.65	-105.85
CNC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000360677	0	39	-2.0	-106.68	369.85	2.60	-104.08
CNC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000360679	1	43	-2.0	-113.30	383.32	2.95	-110.35
CNC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000360680	0	42	-2.0	-102.77	385.80	3.28	-99.49
CNC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000360681	1	39	-2.0	-108.10	368.32	2.62	-105.48
CNC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000360682	0	42	-2.0	-109.15	379.70	2.73	-106.42
CNC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000360683	1	42	-2.0	-112.84	385.30	3.47	-109.37
CNC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000360685	0	39	-2.0	-103.94	368.93	2.71	-101.23
CNC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000360686	1	42	-2.0	-103.29	383.07	3.66	-99.63
CNC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000360687	0	42	-2.0	-99.49	382.13	3.66	-95.83
CNC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000360688	0	43	-2.0	-115.77	386.38	1.31	-114.46
CNC(=O)CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000360688	1	43	-2.0	-110.89	385.57	2.10	-108.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCC(=O)NC)C=C2)C=C1C(=O)[O-]	REAL300000360692	1	46	-2.0	-114.61	404.69	3.81	-110.80
CNC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000360694	0	42	-2.0	-118.42	380.33	3.62	-114.80
CNC(=O)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000360695	0	41	-2.0	-110.08	372.88	1.70	-108.38
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCCC(=O)NC)C=C2)C=C(C(=O)[O-])O1	REAL300000360696	0	45	-2.0	-109.26	398.79	3.59	-105.67
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1	REAL300000360697	0	41	-2.0	-93.63	382.23	1.41	-92.22
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC=C1F	REAL300000360698	0	34	-2.0	-110.07	330.30	2.85	-107.22
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CN=C1	REAL300000360699	0	42	-2.0	-108.54	385.39	3.92	-104.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1	REAL300000360700	0	34	-2.0	-100.21	325.75	2.83	-97.38
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC=C1	REAL300000360701	0	34	-2.0	-111.22	325.77	2.82	-108.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CN=C1	REAL300000360702	0	38	-2.0	-114.84	353.91	2.63	-112.21
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1	REAL300000360703	0	38	-2.0	-99.44	357.22	4.11	-95.33
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000360704	0	37	-2.0	-113.70	345.84	3.47	-110.23
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360705	0	34	-2.0	-105.81	338.84	3.38	-102.43
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC=C1Cl	REAL300000360706	0	34	-2.0	-108.21	338.27	3.21	-105.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1C	REAL300000360707	0	40	-2.0	-112.24	358.16	4.11	-108.13
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360708	0	34	-2.0	-107.25	331.25	2.88	-104.37
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1	REAL300000360709	0	40	-2.0	-98.19	369.33	4.41	-93.78
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360710	0	31	-2.0	-106.06	318.95	1.84	-104.22
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CN=C2)=C1	REAL300000360710	1	30	-3.0	-203.76	315.77	1.06	-202.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CN=C1	REAL300000360711	0	37	-2.0	-110.47	341.20	3.59	-106.88
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1	REAL300000360712	0	38	-2.0	-98.22	356.84	3.10	-95.12
CN1C=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000360713	0	35	-2.0	-110.32	332.42	2.18	-108.14
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CN=C1	REAL300000360714	0	38	-2.0	-111.19	349.98	1.62	-109.57
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360715	0	34	-2.0	-102.90	334.88	2.50	-100.40
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000360716	0	40	-2.0	-111.52	357.23	4.13	-107.39
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CS1	REAL300000360717	0	31	-2.0	-107.35	317.42	1.86	-105.49
COC1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC(C(=O)[O-])=C1OC	REAL300000360718	0	42	-2.0	-112.75	384.07	2.63	-110.12
COC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000360719	0	38	-2.0	-118.12	353.05	2.89	-115.23
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360720	0	44	-2.0	-114.05	381.02	5.34	-108.71
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CN=C1	REAL300000360721	0	43	-2.0	-112.18	379.67	4.79	-107.39
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CN=C1	REAL300000360722	0	40	-2.0	-108.30	355.91	4.34	-103.96
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CN=C1	REAL300000360723	0	41	-2.0	-116.57	376.20	3.39	-113.18
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360724	0	36	-3.0	-186.85	354.17	3.38	-183.47
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360725	0	41	-2.0	-114.45	370.01	4.70	-109.75
CC1=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C(C(=O)[O-])O1	REAL300000360726	0	34	-2.0	-104.89	328.78	1.96	-102.93
CC1=C(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CN=C2)C=C(C(=O)[O-])O1	REAL300000360726	1	33	-3.0	-199.59	325.59	1.18	-198.41
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC2=C1OCCO2	REAL300000360727	0	40	-2.0	-116.42	367.93	2.59	-113.83
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360728	0	38	-2.0	-113.61	354.76	1.92	-111.69
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)CC3=CC=CN=C3)C=C2C1	REAL300000360729	0	42	-2.0	-98.72	378.68	3.42	-95.30
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360730	0	34	-2.0	-103.00	343.36	3.39	-99.61
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CN=C2)=C1	REAL300000360730	1	33	-3.0	-198.81	340.18	2.60	-196.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1Cl	REAL300000360731	0	38	-2.0	-96.76	372.87	3.64	-93.12
CC1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC=C1OCC(=O)[O-]	REAL300000360732	0	41	-2.0	-98.66	376.91	3.81	-94.85
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CN=C1	REAL300000360733	0	37	-2.0	-101.98	346.47	3.62	-98.36
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1F	REAL300000360734	0	38	-2.0	-97.84	363.06	3.17	-94.67
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000360735	0	41	-2.0	-117.87	374.90	3.79	-114.08
CC1=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C(C(=O)[O-])S1	REAL300000360736	0	34	-2.0	-107.42	334.37	2.72	-104.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C(Cl)=C1	REAL300000360737	0	34	-2.0	-97.80	338.82	3.37	-94.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1F	REAL300000360738	0	34	-2.0	-99.88	330.29	2.86	-97.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)S1	REAL300000360739	0	31	-2.0	-101.65	318.04	1.95	-99.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CN=C2)S1	REAL300000360739	1	30	-3.0	-196.98	314.86	1.17	-195.81
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC(F)=C1	REAL300000360740	0	34	-2.0	-102.63	332.17	2.89	-99.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1F	REAL300000360741	0	37	-2.0	-108.60	351.53	3.52	-105.08
COC1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000360742	0	38	-2.0	-102.74	366.08	3.44	-99.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C(F)=C1	REAL300000360743	0	34	-2.0	-99.59	331.23	2.89	-96.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1Cl	REAL300000360744	0	34	-2.0	-97.80	338.26	3.22	-94.58
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CN=C1	REAL300000360745	0	37	-2.0	-103.50	355.21	4.01	-99.49
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1	REAL300000360746	0	42	-2.0	-96.25	389.51	4.23	-92.02
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC(F)=C1F	REAL300000360747	0	34	-2.0	-101.97	336.59	2.91	-99.06
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CN=C2)=CC(F)=C1F	REAL300000360747	1	33	-3.0	-197.36	333.40	2.13	-195.23
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360748	0	36	-2.0	-97.63	353.96	3.49	-94.14
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CN=C2)=C1	REAL300000360748	1	35	-3.0	-193.95	350.77	2.71	-191.24
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360749	0	35	-2.0	-108.54	335.48	0.54	-108.00
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360749	1	34	-3.0	-205.57	331.92	1.42	-204.15
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1	REAL300000360750	0	37	-2.0	-102.20	347.93	3.60	-98.60
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC(Cl)=C1F	REAL300000360751	0	34	-2.0	-103.37	346.47	3.35	-100.02
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CN=C2)=CC(Cl)=C1F	REAL300000360751	1	33	-3.0	-199.82	343.29	2.57	-197.25
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CN=C1	REAL300000360752	0	37	-2.0	-109.90	335.83	3.45	-106.45
CC1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC(C(=O)[O-])=C1F	REAL300000360753	0	37	-2.0	-110.56	350.60	3.47	-107.09
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CN=C1	REAL300000360754	0	37	-2.0	-100.06	341.18	3.58	-96.48
CC1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC(C(=O)[O-])=C1C	REAL300000360755	0	40	-2.0	-116.69	362.57	3.99	-112.70
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC=C1[N+](=O)[O-]	REAL300000360756	0	36	-2.0	-111.39	352.33	3.91	-107.48
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CN=C2)=CC=C1[N+](=O)[O-]	REAL300000360756	1	35	-3.0	-205.69	349.14	3.13	-202.56
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360757	0	34	-2.0	-99.78	337.52	2.95	-96.83
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CN=C2)=C1	REAL300000360757	1	33	-3.0	-198.76	334.34	2.16	-196.60
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C(C)=C1C(=O)[O-]	REAL300000360758	0	40	-2.0	-114.18	360.25	4.20	-109.98
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000360759	0	37	-2.0	-108.22	347.25	3.42	-104.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1Cl	REAL300000360760	0	37	-2.0	-107.46	357.53	3.94	-103.52
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360761	0	37	-2.0	-118.44	350.78	3.51	-114.93
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000360762	0	40	-2.0	-113.81	360.00	4.01	-109.80
COC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1CC(=O)[O-]	REAL300000360763	0	41	-2.0	-112.41	376.23	2.95	-109.46
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CN=C1	REAL300000360764	0	37	-2.0	-102.97	352.03	3.92	-99.05
CC1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC(C(=O)[O-])=C1Cl	REAL300000360765	0	37	-2.0	-109.13	356.99	3.78	-105.35
CCN1C=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000360766	0	38	-2.0	-111.51	353.80	3.04	-108.47
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C(C)=C1CC(=O)[O-]	REAL300000360767	0	46	-2.0	-115.02	390.17	5.65	-109.37
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000360768	0	37	-2.0	-107.02	359.51	3.89	-103.13
CC(C)(C)C1=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C(C(=O)[O-])S1	REAL300000360769	0	43	-2.0	-107.54	375.51	4.72	-102.82
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000360770	0	38	-2.0	-111.41	366.09	3.43	-107.98
CC1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC=C1C(=O)[O-]	REAL300000360771	0	37	-2.0	-100.22	341.77	3.36	-96.86
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C([N+](=O)[O-])=C1	REAL300000360772	0	39	-2.0	-102.82	369.04	4.88	-97.94
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CN=C2)C([N+](=O)[O-])=C1	REAL300000360772	1	38	-3.0	-201.62	365.86	4.09	-197.53
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CN=C1	REAL300000360773	0	37	-2.0	-108.27	345.72	3.63	-104.64
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC=C1	REAL300000360774	0	36	-2.0	-120.74	349.50	4.68	-116.06
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CN=C2)=CC=C1	REAL300000360774	1	35	-3.0	-224.40	346.31	3.89	-220.51
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC=C1	REAL300000360775	0	34	-2.0	-117.67	329.38	2.84	-114.83
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000360776	0	37	-2.0	-105.24	350.71	3.50	-101.74
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=CC2=CC=CC=C21	REAL300000360777	0	40	-2.0	-120.47	366.81	4.95	-115.52
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C1	REAL300000360778	0	33	-2.0	-107.00	322.75	0.87	-106.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CN=C2)=C1	REAL300000360778	1	32	-3.0	-210.57	318.80	0.16	-210.41
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CN=C1	REAL300000360779	0	38	-2.0	-103.87	353.97	2.63	-101.24
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)=C(Cl)O1	REAL300000360780	0	31	-2.0	-99.63	325.92	1.79	-97.84
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CN=C2)=C(Cl)O1	REAL300000360780	1	30	-3.0	-193.30	322.73	1.00	-192.30
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)CC3=CC=CN=C3)C=C2)CC1	REAL300000360781	0	41	-2.0	-105.38	371.89	4.71	-100.67
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)CC3=CC=CN=C3)C=C2C1	REAL300000360782	0	41	-2.0	-110.94	371.20	4.71	-106.23
CCC1=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CN=C2)C=C(C(=O)[O-])O1	REAL300000360783	0	37	-2.0	-104.47	347.89	2.75	-101.72
N#CC1=CC=C(OC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)C=C1	REAL300000360784	1	40	-2.0	-94.06	375.20	8.27	-85.79
N#CC1=CC=C(OC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300000360785	1	40	-2.0	-107.67	375.23	8.26	-99.41
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=C(C#N)C=C3)=C2)C=C1C(=O)[O-]	REAL300000360786	0	41	-2.0	-104.44	381.87	7.60	-96.84
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=C(C#N)C=C3)=C2)C=C(C(=O)[O-])O1	REAL300000360787	0	40	-2.0	-101.55	378.23	7.40	-94.15
N#CC1=CC=C(OC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)C=C1	REAL300000360788	0	39	-2.0	-105.36	371.44	6.38	-98.98
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)=CC=C1F	REAL300000360789	0	37	-2.0	-111.33	346.66	4.25	-107.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)C=C1	REAL300000360790	0	37	-2.0	-101.76	342.10	4.23	-97.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)=C1	REAL300000360791	0	37	-2.0	-113.71	342.12	4.22	-109.49
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)C=C1	REAL300000360792	0	41	-2.0	-100.76	373.57	5.51	-95.25
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)C=C1C(=O)[O-]	REAL300000360793	0	40	-2.0	-114.48	357.94	4.74	-109.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)=C1C	REAL300000360794	0	43	-2.0	-114.62	374.78	5.48	-109.14
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)=C1	REAL300000360795	0	37	-2.0	-109.46	347.59	4.27	-105.19
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)C=C1	REAL300000360796	0	43	-2.0	-99.62	385.69	5.81	-93.81
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)=C1	REAL300000360797	0	34	-2.0	-108.14	335.30	3.23	-104.91
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC2=NC=CC=C12	REAL300000360798	0	40	-2.0	-112.52	357.55	4.99	-107.53
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)C=C1C(=O)[O-]	REAL300000360799	0	38	-2.0	-112.48	348.76	3.56	-108.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C32)=C1	REAL300000360800	0	37	-2.0	-104.36	351.23	3.90	-100.46
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)C=C1C(=O)[O-]	REAL300000360801	0	43	-2.0	-113.69	372.96	5.46	-108.23
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)=CS1	REAL300000360802	0	34	-2.0	-109.58	333.77	3.26	-106.32
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC2=NC=CC=C12	REAL300000360803	0	43	-2.0	-110.15	372.25	5.72	-104.43
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C32)C=C(C(=O)[O-])O1	REAL300000360804	0	37	-2.0	-106.57	345.13	3.36	-103.21
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C32)C=C(C(=O)[O-])S1	REAL300000360805	0	37	-2.0	-109.41	350.71	4.12	-105.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)C=C1F	REAL300000360806	0	37	-2.0	-101.39	346.65	4.25	-97.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)S1	REAL300000360807	0	34	-2.0	-103.14	334.39	3.35	-99.79
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)=C1	REAL300000360808	0	37	-2.0	-104.73	348.52	4.29	-100.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)C(F)=C1	REAL300000360809	0	37	-2.0	-101.21	347.58	4.28	-96.93
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)=C1	REAL300000360810	0	38	-2.0	-110.58	351.83	1.94	-108.64
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)=C1	REAL300000360810	1	37	-3.0	-211.63	348.26	2.81	-208.82
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)C=C1	REAL300000360811	0	40	-2.0	-103.66	364.29	5.00	-98.66
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC2=NC=CC=C12	REAL300000360812	0	40	-2.0	-111.40	351.70	4.81	-106.59
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC2=NC=CC=C12	REAL300000360813	0	40	-2.0	-101.51	357.53	4.98	-96.53
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)=CC(C(=O)[O-])=C1C	REAL300000360814	0	43	-2.0	-118.30	378.94	5.39	-112.91
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)C(C)=C1C(=O)[O-]	REAL300000360815	0	43	-2.0	-115.54	376.21	5.58	-109.96
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)C=C1C(=O)[O-]	REAL300000360816	0	43	-2.0	-115.37	376.26	5.41	-109.96
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)C=C1C(=O)[O-]	REAL300000360817	0	41	-2.0	-113.80	370.14	4.44	-109.36
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)=CC=C1C(=O)[O-]	REAL300000360818	0	40	-2.0	-101.89	358.19	4.77	-97.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)=C1F	REAL300000360819	0	37	-2.0	-119.38	345.77	4.25	-115.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)=C1	REAL300000360820	0	36	-2.0	-111.22	338.33	2.35	-108.87
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C32)=C(Cl)O1	REAL300000360821	0	34	-2.0	-101.21	342.24	3.19	-98.02
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=NC=CC=C23)C=C(C(=O)[O-])O1	REAL300000360822	0	40	-2.0	-105.96	364.27	4.15	-101.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)=CC=C1F	REAL300000360823	0	35	-2.0	-108.67	344.35	6.89	-101.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)C=C1	REAL300000360824	0	35	-2.0	-98.82	339.79	6.87	-91.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)=C1	REAL300000360825	0	35	-2.0	-111.16	339.82	6.85	-104.31
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)C=C1C(=O)[O-]	REAL300000360826	0	38	-2.0	-113.54	359.88	7.49	-106.05
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)=C1	REAL300000360827	0	35	-2.0	-108.70	345.29	6.91	-101.79
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)=C1	REAL300000360828	0	32	-2.0	-105.47	333.00	5.88	-99.59
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2Cl)N=C1	REAL300000360829	0	38	-2.0	-112.62	355.25	7.64	-104.98
CN1C=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)C=C1C(=O)[O-]	REAL300000360830	0	36	-2.0	-109.57	346.46	6.21	-103.36
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)=C1	REAL300000360831	0	35	-2.0	-101.62	348.94	6.53	-95.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)=CS1	REAL300000360832	0	32	-2.0	-106.90	331.47	5.89	-101.01
CC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)C=C(C(=O)[O-])O1	REAL300000360833	0	35	-2.0	-105.47	342.82	6.00	-99.47
CC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)C=C(C(=O)[O-])S1	REAL300000360834	0	35	-2.0	-108.84	349.51	6.74	-102.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)C=C1F	REAL300000360835	0	35	-2.0	-98.32	344.33	6.90	-91.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)S1	REAL300000360836	0	32	-2.0	-100.42	332.09	5.98	-94.44
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)=C1	REAL300000360837	0	35	-2.0	-102.02	346.22	6.91	-95.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)C(F)=C1	REAL300000360838	0	35	-2.0	-98.06	345.28	6.93	-91.13
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)=C1	REAL300000360839	0	36	-2.0	-111.79	349.53	4.57	-107.22
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)C=C1	REAL300000360840	0	38	-2.0	-102.57	361.98	7.63	-94.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2Cl)N=C1	REAL300000360841	0	38	-2.0	-107.03	349.87	7.48	-99.55
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2Cl)N=C1	REAL300000360842	0	38	-2.0	-99.19	355.23	7.63	-91.56
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)C=C1C(=O)[O-]	REAL300000360843	0	39	-2.0	-110.86	367.84	7.08	-103.78
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)=CC=C1C(=O)[O-]	REAL300000360844	0	38	-2.0	-98.98	355.82	7.40	-91.58
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)=C1F	REAL300000360845	0	35	-2.0	-114.65	343.48	6.88	-107.77
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)=C1	REAL300000360846	0	34	-2.0	-108.70	336.04	4.98	-103.72
CCC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3Cl)N=C2)C=C(C(=O)[O-])O1	REAL300000360847	0	38	-2.0	-105.47	361.95	6.85	-98.62
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000360848	0	39	-2.0	-113.96	350.78	4.59	-109.37
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000360849	0	39	-2.0	-103.67	346.23	4.57	-99.10
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000360850	0	39	-2.0	-116.92	346.24	4.56	-112.36
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000360851	0	43	-2.0	-122.68	374.38	4.36	-118.32
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000360852	0	43	-2.0	-102.96	377.71	5.86	-97.10
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000360853	0	42	-2.0	-118.31	362.25	5.09	-113.22
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000360854	0	39	-2.0	-112.17	359.31	5.13	-107.04
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000360855	0	39	-2.0	-112.55	358.76	4.95	-107.60
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000360856	0	45	-2.0	-119.88	378.90	5.90	-113.98
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000360857	0	39	-2.0	-114.39	351.70	4.62	-109.77
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000360858	0	45	-2.0	-102.37	389.82	6.14	-96.23
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000360859	0	36	-2.0	-110.90	339.43	3.58	-107.32
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000360860	0	42	-2.0	-117.56	361.67	5.33	-112.23
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000360861	0	43	-2.0	-101.65	377.33	4.84	-96.81
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000360862	0	40	-2.0	-115.13	352.89	3.91	-111.22
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000360863	0	43	-2.0	-118.14	370.02	3.40	-114.74
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000360864	0	39	-2.0	-106.93	355.35	4.24	-102.69
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000360865	0	45	-2.0	-118.93	377.68	5.87	-113.06
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000360866	0	36	-2.0	-112.34	337.89	3.60	-108.74
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000360867	0	43	-2.0	-122.77	373.53	4.63	-118.14
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000360868	0	48	-2.0	-120.01	400.14	6.57	-113.44
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000360869	0	45	-2.0	-115.39	376.36	6.28	-109.11
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000360870	0	46	-2.0	-123.39	396.67	5.13	-118.26
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000360871	0	41	-3.0	-193.99	374.64	5.13	-188.86
CCOC1=CC=C(OC)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000360871	1	42	-2.0	-113.00	374.67	5.07	-107.93
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000360872	0	46	-2.0	-122.31	390.48	6.46	-115.85
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000360873	0	39	-2.0	-110.14	349.24	3.71	-106.43
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000360874	0	43	-2.0	-117.99	375.16	3.65	-114.34
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000360875	0	46	-2.0	-102.13	397.39	5.55	-96.58
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000360876	0	42	-2.0	-107.79	366.95	5.38	-102.41
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000360877	0	43	-2.0	-100.78	383.54	4.90	-95.88
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000360878	0	46	-2.0	-123.43	395.39	5.53	-117.90
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000360879	0	39	-2.0	-113.59	355.93	4.44	-109.15
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000360880	0	39	-2.0	-100.98	359.28	5.14	-95.84
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000360881	0	39	-2.0	-102.92	350.76	4.60	-98.32
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000360882	0	36	-2.0	-105.63	338.49	3.69	-101.94
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000360883	0	39	-2.0	-107.48	352.65	4.62	-102.86
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000360884	0	42	-2.0	-116.00	371.98	5.26	-110.74
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000360885	0	39	-2.0	-103.38	351.70	4.64	-98.74
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000360886	0	39	-2.0	-101.13	358.73	4.97	-96.16
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000360887	0	42	-2.0	-109.52	375.68	5.76	-103.76
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000360888	0	39	-2.0	-105.14	357.06	4.66	-100.48
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000360889	0	41	-2.0	-101.31	374.43	5.22	-96.09
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000360890	0	40	-2.0	-116.26	355.95	2.27	-113.99
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000360891	0	42	-2.0	-107.66	368.42	5.33	-102.33
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000360892	0	42	-2.0	-112.80	356.27	5.19	-107.61
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000360893	0	42	-2.0	-115.41	371.07	5.21	-110.20
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000360894	0	42	-2.0	-103.61	361.65	5.34	-98.27
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000360895	0	45	-2.0	-120.34	379.70	5.63	-114.71
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000360896	0	41	-2.0	-114.42	372.81	5.63	-108.79
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000360897	0	39	-2.0	-105.76	357.97	4.69	-101.07
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000360898	0	45	-2.0	-117.47	379.77	5.98	-111.49
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000360899	0	42	-2.0	-116.80	371.56	5.25	-111.55
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000360900	0	42	-2.0	-114.12	378.02	5.70	-108.42
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000360901	0	42	-2.0	-122.06	371.27	5.25	-116.81
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000360902	0	45	-2.0	-119.09	380.55	5.74	-113.35
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000360903	0	46	-2.0	-118.53	396.71	4.69	-113.84
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000360904	0	42	-2.0	-105.90	372.50	5.75	-100.15
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000360905	0	42	-2.0	-114.45	377.47	5.50	-108.95
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000360906	0	43	-2.0	-116.44	374.19	4.76	-111.68
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000360907	0	42	-2.0	-111.31	380.01	5.62	-105.69
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000360908	0	42	-2.0	-103.94	362.25	5.10	-98.84
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000360909	0	42	-2.0	-114.85	365.77	5.40	-109.45
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000360910	0	41	-2.0	-124.16	369.96	6.41	-117.75
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000360911	0	39	-2.0	-121.12	349.87	4.58	-116.54
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000360912	0	42	-2.0	-109.42	371.20	5.23	-104.19
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000360913	0	38	-2.0	-114.15	343.21	2.63	-111.52
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000360914	0	43	-2.0	-108.20	374.44	4.36	-103.84
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000360915	0	36	-2.0	-104.02	346.34	3.53	-100.49
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000360916	0	46	-2.0	-110.53	392.36	6.45	-104.08
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000360917	0	46	-2.0	-113.71	390.32	6.42	-107.29
CCOC1=CC=C(OC)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000360918	0	42	-2.0	-109.84	368.35	4.55	-105.29
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC=C1N1C=CC=N1	REAL300000360922	1	39	-2.0	-127.59	351.37	6.56	-121.03
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)=C1	REAL300000360925	1	35	-2.0	-117.06	336.30	7.33	-109.73
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)=C1	REAL300000360928	1	35	-2.0	-120.14	328.71	6.82	-113.32
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)=C1	REAL300000360930	0	32	-2.0	-116.85	316.41	5.79	-111.06
CN1C=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000360933	1	36	-2.0	-120.68	329.88	6.12	-114.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)=C1	REAL300000360935	0	35	-2.0	-112.68	332.36	6.46	-106.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)=CS1	REAL300000360937	1	32	-2.0	-117.97	314.88	5.81	-112.16
CC1=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)C=C(C(=O)[O-])O1	REAL300000360940	1	35	-2.0	-115.52	326.26	5.90	-109.62
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)=C1	REAL300000360941	1	39	-2.0	-122.64	352.19	5.85	-116.79
CC1=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)C=C(C(=O)[O-])S1	REAL300000360943	1	35	-2.0	-118.68	332.92	6.66	-112.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)C(Cl)=C1	REAL300000360944	1	35	-2.0	-105.54	336.28	7.32	-98.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)S1	REAL300000360946	0	32	-2.0	-111.26	315.49	5.90	-105.36
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)=C1	REAL300000360947	1	35	-2.0	-113.40	329.63	6.83	-106.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)=C1F	REAL300000360948	1	38	-2.0	-121.94	349.00	7.46	-114.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)C(F)=C1	REAL300000360949	1	35	-2.0	-108.87	328.69	6.83	-102.04
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(F)C=CC=C2N2C=CC=N2)=C1	REAL300000360952	0	36	-2.0	-116.92	327.84	5.93	-110.99
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)=C1	REAL300000360958	0	35	-2.0	-111.75	334.98	6.88	-104.87
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000360960	1	38	-2.0	-122.64	348.54	7.47	-115.17
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)=C1	REAL300000360961	1	38	-2.0	-127.92	348.24	7.45	-120.47
CCN1C=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000360963	1	39	-2.0	-121.93	351.18	6.98	-114.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)=C1F	REAL300000360966	1	35	-2.0	-126.76	326.89	6.79	-119.97
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)=C1	REAL300000360968	0	34	-2.0	-121.22	319.44	4.89	-116.33
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC=C1N1C=CC=N1	REAL300000360969	1	39	-2.0	-112.97	351.43	6.56	-106.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)=C(Cl)O1	REAL300000360970	0	32	-2.0	-109.62	323.38	5.74	-103.88
CCC1=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2N2C=CC=N2)C=C(C(=O)[O-])O1	REAL300000360971	1	38	-2.0	-114.14	340.90	6.91	-107.23
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)NC2CC2)=C1	REAL300000360972	0	43	-2.0	-105.25	380.68	4.57	-100.68
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)NC2CC2)=C1	REAL300000360973	0	43	-2.0	-118.09	380.70	4.56	-113.53
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(=O)NC2CC2)=C1	REAL300000360974	0	40	-2.0	-112.43	373.89	3.59	-108.84
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)NC2CC2)=C1	REAL300000360975	0	44	-2.0	-116.55	387.35	3.92	-112.63
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)NC2CC2)=C1	REAL300000360976	0	40	-2.0	-113.70	372.35	3.61	-110.09
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(=O)NC2CC2)=C1	REAL300000360977	0	43	-2.0	-110.57	383.71	3.71	-106.86
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(=O)NC2CC2)=C1	REAL300000360978	0	40	-2.0	-107.15	372.97	3.69	-103.46
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(=O)NC2CC2)=C1	REAL300000360979	0	42	-2.0	-116.28	376.91	2.69	-113.59
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1C(N)=O	REAL300000360980	1	42	-2.0	-86.90	372.53	1.06	-85.84
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000360981	1	35	-2.0	-102.58	320.59	2.50	-100.08
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(C)=C1	REAL300000360982	0	43	-2.0	-103.40	375.68	3.56	-99.84
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1C(N)=O	REAL300000360983	1	35	-2.0	-93.06	316.05	2.48	-90.58
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000360984	1	35	-2.0	-105.02	316.06	2.47	-102.55
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(C)=C1	REAL300000360985	0	39	-2.0	-109.72	344.20	2.28	-107.44
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1C(N)=O	REAL300000360986	1	39	-2.0	-92.80	347.52	3.76	-89.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000360987	1	38	-2.0	-105.90	332.10	3.01	-102.89
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1C(N)=O	REAL300000360988	0	35	-2.0	-100.39	329.13	3.04	-97.35
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000360989	1	35	-2.0	-100.89	328.57	2.86	-98.03
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1C(N)=O	REAL300000360990	1	41	-2.0	-107.38	348.74	3.82	-103.56
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C(N)=O	REAL300000360991	0	35	-2.0	-101.83	321.53	2.53	-99.30
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C(N)=O	REAL300000360992	1	41	-2.0	-92.08	359.64	4.06	-88.02
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C(N)=O	REAL300000360993	0	32	-2.0	-99.31	309.25	1.49	-97.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(C)=C1	REAL300000360994	1	38	-2.0	-105.38	331.49	3.26	-102.12
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC=C1C(N)=O	REAL300000360995	1	39	-2.0	-91.46	347.14	2.75	-88.71
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000360996	0	36	-2.0	-103.54	322.71	1.82	-101.72
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CC=C1C(N)=O	REAL300000360997	1	39	-2.0	-106.08	340.27	1.29	-104.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)=C1	REAL300000360998	0	35	-2.0	-95.72	325.18	2.16	-93.56
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC=C1C(N)=O	REAL300000360999	1	41	-2.0	-106.87	347.22	3.82	-103.05
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361000	0	32	-2.0	-100.82	307.70	1.51	-99.31
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000361001	1	43	-2.0	-105.19	374.39	2.28	-102.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000361002	1	39	-2.0	-110.71	343.34	2.54	-108.17
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1C(N)=O	REAL300000361003	1	45	-2.0	-109.24	371.31	5.09	-104.15
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1C(N)=O	REAL300000361004	1	44	-2.0	-107.43	369.97	4.48	-102.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(C)=C1	REAL300000361005	1	41	-2.0	-104.01	346.21	4.20	-99.81
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(C)=C1	REAL300000361006	0	42	-2.0	-110.53	366.49	3.04	-107.49
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361007	0	38	-2.0	-109.82	346.96	3.03	-106.79
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361007	1	37	-3.0	-179.33	344.47	3.03	-176.30
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1C(N)=O	REAL300000361008	1	42	-2.0	-109.38	360.32	4.37	-105.01
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000361009	0	35	-2.0	-98.90	319.06	1.61	-97.29
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361010	1	41	-2.0	-109.81	358.23	2.24	-107.57
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)=C1	REAL300000361011	0	39	-2.0	-106.14	345.04	1.57	-104.57
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=CC=C1C(N)=O	REAL300000361012	1	43	-2.0	-91.78	368.97	3.07	-88.71
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1C(N)=O	REAL300000361013	0	35	-2.0	-97.32	333.66	3.07	-94.25
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CC=C1C(N)=O	REAL300000361014	1	39	-2.0	-90.12	363.15	3.29	-86.83
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)=CC=C1OCC(=O)[O-]	REAL300000361015	1	42	-2.0	-91.93	367.19	3.46	-88.47
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C(N)=O	REAL300000361016	1	38	-2.0	-96.29	336.77	3.30	-92.99
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1C(N)=O	REAL300000361017	1	39	-2.0	-91.16	353.34	2.82	-88.34
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000361018	1	42	-2.0	-111.50	365.20	3.44	-108.06
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000361019	0	35	-2.0	-102.05	324.66	2.37	-99.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C(N)=O	REAL300000361020	0	35	-2.0	-90.77	329.11	3.03	-87.74
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(N)=O	REAL300000361021	1	35	-2.0	-92.70	320.59	2.51	-90.19
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C(N)=O	REAL300000361022	0	32	-2.0	-94.59	308.33	1.60	-92.99
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361023	1	35	-2.0	-96.05	322.46	2.54	-93.51
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1C(N)=O	REAL300000361024	0	38	-2.0	-103.17	341.82	3.17	-100.00
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000361025	0	39	-2.0	-95.46	356.37	3.10	-92.36
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C(N)=O	REAL300000361026	0	35	-2.0	-92.41	321.52	2.54	-89.87
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C(N)=O	REAL300000361027	1	35	-2.0	-90.73	328.56	2.87	-87.86
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1C(N)=O	REAL300000361028	1	38	-2.0	-97.87	345.50	3.68	-94.19
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1C(N)=O	REAL300000361029	1	43	-2.0	-89.65	379.80	3.88	-85.77
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361030	1	35	-2.0	-94.33	326.89	2.56	-91.77
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361031	0	37	-2.0	-90.30	344.25	3.14	-87.16
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C(N)=O	REAL300000361032	0	36	-2.0	-104.37	325.77	0.18	-104.19
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C(N)=O	REAL300000361032	1	36	-2.0	-103.53	314.78	1.07	-102.46
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C(N)=O	REAL300000361033	1	38	-2.0	-97.36	338.24	3.25	-94.11
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361034	1	35	-2.0	-95.74	336.77	3.00	-92.74
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C(N)=O	REAL300000361035	1	38	-2.0	-101.49	326.20	3.11	-98.38
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361036	1	38	-2.0	-104.06	340.91	3.12	-100.94
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1C(N)=O	REAL300000361037	1	38	-2.0	-93.29	331.47	3.24	-90.05
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361038	1	41	-2.0	-107.87	348.72	3.54	-104.33
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361039	0	37	-2.0	-103.80	342.64	3.57	-100.23
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1C(N)=O	REAL300000361040	0	35	-2.0	-93.74	327.81	2.60	-91.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000361041	1	41	-2.0	-105.85	350.57	3.87	-101.98
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1C(N)=O	REAL300000361042	0	38	-2.0	-104.03	341.68	3.17	-100.86
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1C(N)=O	REAL300000361043	0	38	-2.0	-101.92	347.80	3.61	-98.31
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)=C1	REAL300000361044	0	38	-2.0	-110.21	341.09	3.16	-107.05
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000361045	1	41	-2.0	-106.63	350.31	3.66	-102.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)C=C1CC(=O)[O-]	REAL300000361046	1	42	-2.0	-106.28	366.51	2.60	-103.68
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1C(N)=O	REAL300000361047	1	38	-2.0	-94.88	342.10	3.66	-91.22
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361048	1	38	-2.0	-102.69	347.30	3.43	-99.26
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000361049	0	39	-2.0	-104.64	344.06	2.69	-101.95
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=CC=C1C(N)=O	REAL300000361050	1	47	-2.0	-103.77	380.83	5.31	-98.46
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361051	1	38	-2.0	-99.42	349.97	3.54	-95.88
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361052	0	44	-2.0	-101.49	365.37	4.57	-96.92
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000361053	0	39	-2.0	-105.99	356.38	3.11	-102.88
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1C(N)=O	REAL300000361054	1	38	-2.0	-93.15	331.85	3.01	-90.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1C(N)=O	REAL300000361055	0	40	-2.0	-98.29	359.35	4.66	-93.63
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC=C1C(N)=O	REAL300000361056	1	38	-2.0	-103.33	335.59	3.31	-100.02
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1C(N)=O	REAL300000361057	0	37	-2.0	-112.41	339.79	4.33	-108.08
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C(N)=O	REAL300000361058	0	35	-2.0	-109.42	319.72	2.50	-106.92
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361059	1	38	-2.0	-97.73	341.30	3.16	-94.57
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361060	1	41	-2.0	-112.93	357.13	4.60	-108.33
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C(N)=O	REAL300000361061	0	34	-2.0	-102.50	312.28	0.60	-101.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C(C)=C1	REAL300000361062	0	39	-2.0	-97.02	344.26	2.27	-94.75
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1C(N)=O	REAL300000361063	0	32	-2.0	-92.99	316.20	1.44	-91.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C(N)=O	REAL300000361064	1	42	-2.0	-99.32	362.18	4.36	-94.96
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C(N)=O	REAL300000361065	1	42	-2.0	-103.19	361.50	4.36	-98.83
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000361066	0	38	-2.0	-98.78	338.18	2.46	-96.32
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1F	REAL300000361069	1	36	-2.0	-97.58	344.21	6.30	-91.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1F	REAL300000361072	1	32	-2.0	-103.54	312.74	5.01	-98.53
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C1	REAL300000361075	1	28	-2.0	-94.99	293.24	5.87	-89.12
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C1	REAL300000361078	1	28	-2.0	-96.25	285.63	5.36	-90.89
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C1	REAL300000361080	0	25	-2.0	-93.52	273.36	4.32	-89.20
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C1	REAL300000361085	1	28	-2.0	-89.48	293.71	4.88	-84.60
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1F	REAL300000361093	1	35	-2.0	-103.97	335.03	5.78	-98.19
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=C(F)C=C2F)=C1	REAL300000361094	0	31	-2.0	-105.63	313.12	5.69	-99.94
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)C=C(C(=O)[O-])O1	REAL300000361096	1	28	-2.0	-93.06	287.60	4.36	-88.70
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C1	REAL300000361098	1	32	-2.0	-99.39	309.08	4.39	-95.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C(Cl)C=C1F	REAL300000361100	1	28	-2.0	-91.53	302.19	5.79	-85.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)S1	REAL300000361109	1	25	-2.0	-88.43	276.86	4.33	-84.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C1F	REAL300000361111	1	31	-2.0	-96.70	310.34	5.90	-90.80
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C(Cl)C=C1C(=O)[O-]	REAL300000361112	1	32	-2.0	-89.26	324.90	5.84	-83.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)C(F)=C1	REAL300000361113	1	28	-2.0	-86.14	290.06	5.28	-80.86
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=C(F)C=C2F)=C1	REAL300000361119	0	29	-2.0	-104.17	289.94	3.27	-100.90
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C1	REAL300000361127	1	28	-2.0	-87.61	296.33	5.34	-82.27
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000361129	1	31	-2.0	-98.19	305.48	5.99	-92.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C1Cl	REAL300000361130	1	31	-2.0	-95.85	316.37	6.35	-89.50
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C1	REAL300000361131	1	31	-2.0	-103.04	305.20	5.99	-97.05
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)C([N+](=O)[O-])=C1	REAL300000361143	0	33	-2.0	-91.14	320.88	7.44	-83.70
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C1[N+](=O)[O-]	REAL300000361145	0	30	-2.0	-105.40	303.89	7.15	-98.25
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C1F	REAL300000361146	1	28	-2.0	-102.56	283.80	5.32	-97.24
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C1	REAL300000361149	0	27	-2.0	-96.42	277.15	3.36	-93.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1F	REAL300000361150	1	32	-2.0	-90.75	312.80	5.01	-85.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)=C(Cl)O1	REAL300000361151	0	25	-2.0	-87.04	284.70	4.17	-82.87
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2F)C=C(C(=O)[O-])O1	REAL300000361154	1	31	-2.0	-92.94	306.72	5.21	-87.73
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000361155	1	35	-2.0	-106.19	347.75	7.47	-98.72
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000361156	1	35	-2.0	-96.12	343.19	7.45	-88.67
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000361157	0	35	-2.0	-108.83	343.21	7.45	-101.38
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000361158	0	39	-2.0	-95.38	374.66	8.73	-86.65
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000361159	1	38	-2.0	-110.07	359.23	7.97	-102.10
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000361160	0	41	-2.0	-111.74	375.88	8.78	-102.96
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000361161	0	35	-2.0	-106.27	348.68	7.50	-98.77
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000361162	0	41	-2.0	-94.69	386.80	9.03	-85.66
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000361163	0	32	-2.0	-103.17	336.40	6.46	-96.71
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000361164	0	38	-2.0	-109.50	358.64	8.22	-101.28
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000361165	0	36	-2.0	-107.08	349.86	6.79	-100.29
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000361166	0	35	-2.0	-99.25	352.32	7.12	-92.13
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000361167	1	41	-2.0	-110.79	374.67	8.76	-102.03
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000361168	0	32	-2.0	-104.46	334.86	6.48	-97.98
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000361169	0	41	-2.0	-107.47	372.07	9.12	-98.35
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000361170	0	35	-2.0	-102.58	346.22	6.59	-95.99
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000361171	0	35	-2.0	-105.75	352.90	7.32	-98.43
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000361172	0	35	-2.0	-95.59	347.74	7.49	-88.10
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000361173	0	32	-2.0	-98.02	335.47	6.58	-91.44
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000361174	0	35	-2.0	-99.77	349.63	7.51	-92.26
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000361175	0	35	-2.0	-95.69	348.67	7.52	-88.17
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000361176	0	36	-2.0	-108.31	352.93	5.14	-103.17
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000361177	0	38	-2.0	-99.69	365.38	8.22	-91.47
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000361178	0	38	-2.0	-104.80	353.25	8.08	-96.72
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000361179	1	38	-2.0	-96.12	358.62	8.22	-87.90
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000361180	1	41	-2.0	-111.99	376.68	8.52	-103.47
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000361181	1	41	-2.0	-109.39	376.74	8.84	-100.55
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000361182	1	41	-2.0	-110.71	377.53	8.63	-102.08
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000361183	0	39	-2.0	-108.39	371.15	7.65	-100.74
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000361184	1	38	-2.0	-96.30	359.22	7.98	-88.32
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000361185	0	35	-2.0	-112.89	346.84	7.47	-105.42
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000361186	0	34	-2.0	-106.06	340.18	5.50	-100.56
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000361187	0	32	-2.0	-96.55	343.32	6.41	-90.14
CCSC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000361188	0	38	-2.0	-102.17	365.33	7.44	-94.73
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000361189	0	42	-2.0	-114.47	368.70	5.21	-109.26
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000361190	0	42	-2.0	-104.25	364.13	5.20	-99.05
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000361191	0	42	-2.0	-117.55	364.18	5.19	-112.36
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000361192	0	46	-2.0	-123.24	392.32	4.99	-118.25
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000361193	0	46	-2.0	-103.41	395.63	6.48	-96.93
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000361194	0	45	-2.0	-119.27	381.02	5.76	-113.51
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000361195	0	42	-2.0	-112.76	377.25	5.77	-106.99
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000361196	0	42	-2.0	-113.11	376.67	5.58	-107.53
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000361197	0	48	-2.0	-119.99	397.28	6.52	-113.47
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000361198	0	42	-2.0	-115.02	369.65	5.25	-109.77
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000361199	0	48	-2.0	-102.89	407.76	6.77	-96.12
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000361200	0	39	-2.0	-111.49	357.36	4.20	-107.29
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000361201	0	45	-2.0	-118.29	379.59	5.96	-112.33
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000361202	0	46	-2.0	-102.04	395.22	5.46	-96.58
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000361203	0	43	-2.0	-115.82	370.80	4.53	-111.29
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000361204	0	46	-2.0	-118.20	388.38	4.00	-114.20
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000361205	0	42	-2.0	-107.55	373.27	4.86	-102.69
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000361206	0	48	-2.0	-119.76	396.23	6.55	-113.21
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000361207	0	39	-2.0	-113.05	355.83	4.22	-108.83
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000361208	0	46	-2.0	-123.57	391.47	5.26	-118.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1OC(C)C	REAL300000361209	0	48	-2.0	-115.69	394.30	6.91	-108.78
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000361210	0	42	-2.0	-110.64	367.18	4.33	-106.31
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000361211	0	46	-2.0	-118.26	393.12	4.28	-113.98
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000361212	0	45	-2.0	-108.51	384.87	5.99	-102.52
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000361213	0	42	-2.0	-114.30	372.80	5.08	-109.22
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000361214	0	42	-2.0	-101.54	377.23	5.76	-95.78
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000361215	0	42	-2.0	-103.48	368.68	5.23	-98.25
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000361216	0	39	-2.0	-106.23	356.43	4.31	-101.92
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000361217	0	42	-2.0	-108.21	370.59	5.25	-102.96
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000361218	0	45	-2.0	-116.55	389.92	5.88	-110.67
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000361219	0	42	-2.0	-104.04	369.64	5.26	-98.78
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000361220	0	42	-2.0	-101.65	376.66	5.59	-96.06
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000361221	0	43	-2.0	-117.01	373.87	2.90	-114.11
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000361222	0	45	-2.0	-108.19	386.36	5.96	-102.23
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000361223	0	45	-2.0	-113.54	374.19	5.82	-107.72
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000361224	0	45	-2.0	-116.24	389.01	5.84	-110.40
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000361225	0	45	-2.0	-104.16	379.57	5.97	-98.19
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000361226	0	48	-2.0	-121.26	398.21	6.30	-114.96
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000361227	0	48	-2.0	-118.02	399.36	6.61	-111.41
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000361228	0	45	-2.0	-116.47	385.45	5.79	-110.68
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000361229	0	45	-2.0	-122.95	389.19	5.88	-117.07
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000361230	0	48	-2.0	-119.63	398.45	6.37	-113.26
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000361231	0	46	-2.0	-117.21	392.11	5.40	-111.81
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000361232	0	45	-2.0	-104.54	380.01	5.73	-98.81
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000361233	0	45	-2.0	-115.07	384.11	6.00	-109.07
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000361234	0	42	-2.0	-121.77	367.78	5.21	-116.56
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000361235	0	45	-2.0	-109.04	384.95	5.75	-103.29
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000361236	0	41	-2.0	-114.79	361.13	3.25	-111.54
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000361237	0	46	-2.0	-108.71	392.38	4.98	-103.73
COC1=CC=C(OC(C)C)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000361238	0	39	-2.0	-104.61	364.26	4.15	-100.46
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000361239	0	45	-2.0	-110.24	386.29	5.17	-105.07
CC(C)SC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000361240	1	38	-2.0	-96.44	359.48	8.00	-88.44
CC(C)SC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000361241	0	38	-2.0	-109.16	359.54	8.00	-101.16
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2SC(C)C)C=C1C(=O)[O-]	REAL300000361242	1	41	-2.0	-110.48	375.74	8.53	-101.95
CC(C)SC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000361243	0	35	-2.0	-103.45	352.72	7.01	-96.44
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1SC(C)C	REAL300000361244	0	41	-2.0	-109.77	374.91	8.77	-101.00
CC(C)SC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000361245	0	39	-2.0	-107.45	366.13	7.34	-100.11
CC(C)SC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000361246	0	35	-2.0	-104.82	351.14	7.03	-97.79
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2SC(C)C)C=C(C(=O)[O-])O1	REAL300000361247	0	38	-2.0	-102.84	362.49	7.14	-95.70
CC(C)SC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000361248	0	35	-2.0	-98.35	351.74	7.12	-91.23
CC(C)SC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000361249	0	41	-2.0	-100.04	381.67	8.77	-91.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1SC(C)C	REAL300000361250	0	41	-2.0	-105.13	369.32	8.62	-96.51
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1SC(C)C	REAL300000361251	1	41	-2.0	-96.44	374.95	8.77	-87.67
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2SC(C)C)=CC=C1C(=O)[O-]	REAL300000361252	1	41	-2.0	-96.61	375.48	8.53	-88.08
CC(C)SC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000361253	0	37	-2.0	-106.32	356.46	6.05	-100.27
CC1=CC=C(N(CCC#N)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000361278	0	41	-2.0	-114.55	369.41	8.67	-105.88
CC1=CC=C(N(CCC#N)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000361298	0	39	-2.0	-103.27	343.60	7.17	-96.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC2=CC=CC=C2)C=C1	REAL300000361329	0	41	-2.0	-97.77	374.39	5.78	-91.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC2=CC=CC=C2)=C1	REAL300000361330	0	41	-2.0	-110.52	374.41	5.77	-104.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000361331	0	44	-2.0	-111.84	390.43	6.31	-105.53
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CN=C2OCC2=CC=CC=C2)=C1	REAL300000361332	0	38	-2.0	-104.72	367.60	4.81	-99.91
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OCC1=CC=CC=C1	REAL300000361333	0	44	-2.0	-110.48	389.84	6.56	-103.92
CN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000361334	0	42	-2.0	-108.79	381.06	5.13	-103.66
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CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000361336	0	41	-2.0	-103.65	377.42	4.93	-98.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC2=CC=CC=C2)S1	REAL300000361337	0	38	-2.0	-99.54	366.67	4.90	-94.64
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC2=CC=CC=C2)C=C1	REAL300000361338	0	44	-2.0	-101.04	396.58	6.56	-94.48
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1OCC1=CC=CC=C1	REAL300000361339	0	44	-2.0	-107.12	384.45	6.40	-100.72
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1OCC1=CC=CC=C1	REAL300000361340	0	44	-2.0	-97.70	389.83	6.54	-91.16
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000361341	0	44	-2.0	-97.97	390.42	6.33	-91.64
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CN=C2OCC2=CC=CC=C2)=C1	REAL300000361342	0	40	-2.0	-108.41	370.62	3.90	-104.51
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1	REAL300000361343	0	41	-2.0	-98.40	380.82	1.57	-96.83
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COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CC=N1	REAL300000361345	0	42	-2.0	-114.50	383.98	4.09	-110.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1	REAL300000361346	0	34	-2.0	-105.40	324.35	3.00	-102.40
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC=C1	REAL300000361347	0	34	-2.0	-118.08	324.37	2.99	-115.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CC=N1	REAL300000361348	0	38	-2.0	-121.43	352.51	2.80	-118.63
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1	REAL300000361349	0	38	-2.0	-104.25	355.82	4.28	-99.97
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000361350	0	37	-2.0	-117.62	340.38	3.52	-114.10
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361351	0	34	-2.0	-111.94	337.43	3.55	-108.39
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC=C1Cl	REAL300000361352	0	34	-2.0	-112.55	336.87	3.38	-109.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1C	REAL300000361353	0	40	-2.0	-118.77	356.76	4.28	-114.49
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361354	0	34	-2.0	-113.42	329.84	3.05	-110.37
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1	REAL300000361355	0	40	-2.0	-103.36	367.93	4.58	-98.78
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361356	0	31	-2.0	-112.39	317.55	2.01	-110.38
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CC=N2)=C1	REAL300000361356	1	30	-3.0	-214.52	314.36	1.23	-213.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CC=N1	REAL300000361357	0	37	-2.0	-116.87	339.80	3.76	-113.11
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1	REAL300000361358	0	38	-2.0	-103.13	355.44	3.27	-99.86
CN1C=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000361359	0	35	-2.0	-116.71	331.00	2.34	-114.37
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CC=N1	REAL300000361360	0	38	-2.0	-117.61	348.57	1.79	-115.82
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361361	0	34	-2.0	-107.74	333.48	2.67	-105.07
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000361362	0	40	-2.0	-118.02	355.82	4.30	-113.72
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CS1	REAL300000361363	0	31	-2.0	-113.79	316.01	2.03	-111.76
COC1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC(C(=O)[O-])=C1OC	REAL300000361364	0	42	-2.0	-117.45	382.68	2.80	-114.65
COC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000361365	0	38	-2.0	-122.48	351.65	3.05	-119.43
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361366	0	44	-2.0	-120.81	379.62	5.50	-115.31
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CC=N1	REAL300000361367	0	43	-2.0	-118.84	378.27	4.96	-113.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CC=N1	REAL300000361368	0	40	-2.0	-114.50	354.52	4.51	-109.99
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CC=N1	REAL300000361369	0	41	-2.0	-123.74	374.79	3.56	-120.18
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361370	0	36	-3.0	-193.58	352.77	3.55	-190.03
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361371	0	41	-2.0	-121.12	368.62	4.87	-116.25
CC1=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C(C(=O)[O-])O1	REAL300000361372	0	34	-2.0	-110.82	327.37	2.13	-108.69
CC1=C(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CC=N2)C=C(C(=O)[O-])O1	REAL300000361372	1	33	-3.0	-210.06	324.19	1.35	-208.71
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC2=C1OCCO2	REAL300000361373	0	40	-2.0	-123.07	366.53	2.76	-120.31
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361374	0	38	-2.0	-118.17	353.35	2.08	-116.09
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)CC3=CC=CC=N3)C=C2C1	REAL300000361375	0	42	-2.0	-103.12	377.29	3.59	-99.53
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361376	0	34	-2.0	-109.00	341.96	3.57	-105.43
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CC=N2)=C1	REAL300000361376	1	33	-3.0	-209.21	338.78	2.77	-206.44
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1Cl	REAL300000361377	0	38	-2.0	-101.85	371.47	3.81	-98.04
CC1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC=C1OCC(=O)[O-]	REAL300000361378	0	41	-2.0	-103.62	375.51	3.98	-99.64
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CC=N1	REAL300000361379	0	37	-2.0	-108.08	345.08	3.79	-104.29
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1F	REAL300000361380	0	38	-2.0	-102.92	361.66	3.34	-99.58
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000361381	0	41	-2.0	-124.79	373.50	3.96	-120.83
CC1=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C(C(=O)[O-])S1	REAL300000361382	0	34	-2.0	-113.63	332.96	2.89	-110.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C(Cl)=C1	REAL300000361383	0	34	-2.0	-102.85	337.42	3.53	-99.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1F	REAL300000361384	0	34	-2.0	-105.19	328.88	3.03	-102.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)S1	REAL300000361385	0	31	-2.0	-106.64	316.64	2.12	-104.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CC=N2)S1	REAL300000361385	1	30	-3.0	-206.42	313.45	1.34	-205.08
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC(F)=C1	REAL300000361386	0	34	-2.0	-109.04	330.77	3.05	-105.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1F	REAL300000361387	0	37	-2.0	-114.88	350.13	3.69	-111.19
COC1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C(Cl)C=C1C(=O)[O-]	REAL300000361388	0	38	-2.0	-107.61	364.67	3.60	-104.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C(F)=C1	REAL300000361389	0	34	-2.0	-104.68	329.83	3.06	-101.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1Cl	REAL300000361390	0	34	-2.0	-103.03	336.86	3.39	-99.64
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CC=N1	REAL300000361391	0	37	-2.0	-109.63	353.81	4.17	-105.46
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1	REAL300000361392	0	42	-2.0	-100.98	388.11	4.40	-96.58
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC(F)=C1F	REAL300000361393	0	34	-2.0	-106.25	335.19	3.07	-103.18
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CC=N2)=CC(F)=C1F	REAL300000361393	1	33	-3.0	-206.11	332.01	2.29	-203.82
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361394	0	36	-2.0	-102.24	352.56	3.66	-98.58
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CC=N2)=C1	REAL300000361394	1	35	-3.0	-203.69	349.37	2.88	-200.81
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361395	0	35	-2.0	-114.67	334.08	0.70	-113.97
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361395	1	34	-3.0	-213.25	330.52	1.59	-211.66
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1	REAL300000361396	0	37	-2.0	-107.42	346.53	3.77	-103.65
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC(Cl)=C1F	REAL300000361397	0	34	-2.0	-107.60	345.08	3.51	-104.09
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CC=N2)=CC(Cl)=C1F	REAL300000361397	1	33	-3.0	-208.60	341.90	2.73	-205.87
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CC=N1	REAL300000361398	0	37	-2.0	-114.57	334.44	3.61	-110.96
CC1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC(C(=O)[O-])=C1F	REAL300000361399	0	37	-2.0	-117.30	349.20	3.64	-113.66
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CC=N1	REAL300000361400	0	37	-2.0	-105.31	339.78	3.74	-101.57
CC1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC(C(=O)[O-])=C1C	REAL300000361401	0	40	-2.0	-121.21	361.17	4.16	-117.05
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC=C1[N+](=O)[O-]	REAL300000361402	0	36	-2.0	-115.32	350.92	4.08	-111.24
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CC=N2)=CC=C1[N+](=O)[O-]	REAL300000361402	1	35	-3.0	-214.07	347.74	3.29	-210.78
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361403	0	34	-2.0	-105.63	336.12	3.11	-102.52
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CC=N2)=C1	REAL300000361403	1	33	-3.0	-209.09	332.94	2.33	-206.76
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C(C)=C1C(=O)[O-]	REAL300000361404	0	40	-2.0	-118.90	358.84	4.37	-114.53
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000361405	0	37	-2.0	-114.52	345.84	3.59	-110.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1Cl	REAL300000361406	0	37	-2.0	-113.74	356.13	4.11	-109.63
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361407	0	37	-2.0	-122.91	349.42	3.67	-119.24
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000361408	0	40	-2.0	-118.32	358.59	4.17	-114.15
COC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1CC(=O)[O-]	REAL300000361409	0	41	-2.0	-117.08	374.83	3.12	-113.96
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CC=N1	REAL300000361410	0	37	-2.0	-108.85	354.90	4.23	-104.62
CC1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC(C(=O)[O-])=C1Cl	REAL300000361411	0	37	-2.0	-115.90	355.59	3.95	-111.95
CCN1C=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000361412	0	38	-2.0	-118.05	352.38	3.21	-114.84
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C(C)=C1CC(=O)[O-]	REAL300000361413	0	46	-2.0	-120.02	388.77	5.82	-114.20
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000361414	0	37	-2.0	-111.58	358.12	4.05	-107.53
CC(C)(C)C1=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C(C(=O)[O-])S1	REAL300000361415	0	43	-2.0	-113.75	374.11	4.89	-108.86
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000361416	0	38	-2.0	-117.58	364.69	3.60	-113.98
CC1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC=C1C(=O)[O-]	REAL300000361417	0	37	-2.0	-105.42	340.37	3.53	-101.89
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C([N+](=O)[O-])=C1	REAL300000361418	0	39	-2.0	-108.87	367.66	5.04	-103.83
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CC=N2)C([N+](=O)[O-])=C1	REAL300000361418	1	38	-3.0	-212.21	364.48	4.25	-207.96
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CC=N1	REAL300000361419	0	37	-2.0	-114.51	344.33	3.79	-110.72
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC=C1	REAL300000361420	0	36	-2.0	-124.90	348.10	4.84	-120.06
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CC=N2)=CC=C1	REAL300000361420	1	35	-3.0	-232.86	344.91	4.05	-228.81
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC=C1	REAL300000361421	0	34	-2.0	-122.17	327.99	3.01	-119.16
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000361422	0	37	-2.0	-109.81	349.31	3.65	-106.16
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=CC2=CC=CC=C21	REAL300000361423	0	40	-2.0	-124.80	365.41	5.12	-119.68
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C1	REAL300000361424	0	33	-2.0	-115.49	320.59	1.12	-114.37
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CC=N2)=C1	REAL300000361424	1	32	-3.0	-221.58	317.42	0.32	-221.26
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CC1=CC=CC=N1	REAL300000361425	0	38	-2.0	-109.27	352.57	2.80	-106.47
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)=C(Cl)O1	REAL300000361426	0	31	-2.0	-105.19	324.52	1.96	-103.23
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)CC2=CC=CC=N2)=C(Cl)O1	REAL300000361426	1	30	-3.0	-203.35	321.33	1.17	-202.18
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)CC3=CC=CC=N3)C=C2)CC1	REAL300000361427	0	41	-2.0	-111.13	370.49	4.88	-106.25
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)CC3=CC=CC=N3)C=C2C1	REAL300000361428	0	41	-2.0	-117.55	369.80	4.88	-112.67
CCC1=C(S(=O)(=O)[N-]NC(=O)CC2=CC=CC=N2)C=C(C(=O)[O-])O1	REAL300000361429	0	37	-2.0	-110.30	346.49	2.92	-107.38
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)NC(C)C	REAL300000361430	1	44	-2.0	-102.39	384.83	5.65	-96.74
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(=O)NC(C)C	REAL300000361432	1	44	-2.0	-104.44	380.29	5.62	-98.82
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)NC(C)C	REAL300000361434	0	44	-2.0	-101.90	385.77	5.69	-96.21
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(=O)NC(C)C	REAL300000361435	0	41	-2.0	-98.85	373.48	4.64	-94.21
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C(=O)NC(C)C	REAL300000361436	1	47	-2.0	-105.92	395.73	6.41	-99.51
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(=O)NC(C)C	REAL300000361437	1	45	-2.0	-102.87	386.92	4.98	-97.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)NC(C)C)=C2)=C1	REAL300000361438	0	44	-2.0	-95.06	389.39	5.31	-89.75
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(=O)NC(C)C	REAL300000361439	0	41	-2.0	-100.52	371.95	4.65	-95.87
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)NC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000361440	0	44	-2.0	-98.95	383.30	4.76	-94.19
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)NC(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000361441	1	44	-2.0	-102.39	388.89	5.51	-96.88
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)NC(C)C	REAL300000361442	1	44	-2.0	-92.00	384.81	5.66	-86.34
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(=O)NC(C)C	REAL300000361443	0	41	-2.0	-93.98	372.56	4.75	-89.23
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)NC(C)C	REAL300000361444	1	44	-2.0	-95.45	386.69	5.69	-89.76
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)NC(C)C	REAL300000361445	0	44	-2.0	-91.73	385.76	5.69	-86.04
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C(=O)NC(C)C	REAL300000361446	0	45	-2.0	-104.99	390.01	3.34	-101.65
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C(=O)NC(C)C	REAL300000361446	1	45	-2.0	-102.90	379.01	4.22	-98.68
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(=O)NC(C)C	REAL300000361447	1	47	-2.0	-96.16	402.46	6.41	-89.75
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)NC(C)C	REAL300000361448	1	47	-2.0	-100.62	390.43	6.27	-94.35
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)NC(C)C)=C2)C=C1C(=O)[O-]	REAL300000361450	1	48	-2.0	-104.05	408.31	5.84	-98.21
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)NC(C)C	REAL300000361452	0	44	-2.0	-108.20	383.91	5.65	-102.55
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(=O)NC(C)C	REAL300000361453	0	43	-2.0	-102.25	377.26	3.67	-98.58
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)NC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000361454	0	47	-2.0	-98.92	402.43	5.61	-93.31
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC=C(Br)C=C32)=C1	REAL300000361464	0	33	-2.0	-109.97	312.78	6.27	-103.70
COC(=O)CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000361473	0	41	-2.0	-105.97	387.20	5.85	-100.12
COC(=O)CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000361474	1	45	-2.0	-107.92	400.66	6.19	-101.73
COC(=O)CCCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000361475	1	41	-2.0	-107.41	385.67	5.87	-101.54
COC(=O)CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000361476	0	44	-2.0	-103.56	397.05	5.97	-97.59
COC(=O)CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000361477	0	41	-2.0	-98.83	386.27	5.96	-92.87
COC(=O)CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000361478	0	43	-2.0	-109.35	390.23	4.95	-104.40
CC1=CC=CC=C1COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000361479	1	45	-2.0	-98.36	393.07	8.97	-89.39
CC1=CC=CC=C1COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000361480	1	45	-2.0	-111.08	393.10	8.96	-102.12
CC1=CC=CC=C1COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000361481	0	44	-2.0	-108.82	389.32	7.09	-101.73
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(N3CCNC3=O)=CC=C2Cl)=C1	REAL300000361486	0	37	-2.0	-105.55	350.28	2.44	-103.11
CC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000361514	0	37	-2.0	-109.14	354.11	8.20	-100.94
CC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000361537	0	35	-2.0	-103.69	325.55	6.31	-97.38
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC(C#N)=C3)C=C2)C=C1C(=O)[O-]	REAL300000361572	1	41	-2.0	-101.50	381.92	7.58	-93.92
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC(C#N)=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000361573	0	40	-2.0	-97.60	378.29	7.37	-90.23
N#CC1=CC=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=C1	REAL300000361574	0	39	-2.0	-100.68	371.48	6.35	-94.33
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000361575	1	39	-2.0	-105.23	370.65	8.02	-97.21
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000361576	1	39	-2.0	-95.54	366.10	8.00	-87.54
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000361577	1	39	-2.0	-107.75	366.11	7.99	-99.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SCC(C)C#N)C=C1C(=O)[O-]	REAL300000361578	1	42	-2.0	-111.12	387.68	7.80	-103.32
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000361579	0	39	-2.0	-105.50	371.59	8.05	-97.45
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000361580	0	36	-2.0	-102.28	359.30	7.00	-95.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SCC(C)C#N	REAL300000361581	1	42	-2.0	-109.11	381.55	8.77	-100.34
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000361582	0	40	-2.0	-106.08	372.76	7.33	-98.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2SCC(C)C#N)=C1	REAL300000361583	0	39	-2.0	-98.52	375.21	7.68	-90.84
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000361584	0	36	-2.0	-103.55	357.76	7.02	-96.53
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SCC(C)C#N)C=C(C(=O)[O-])O1	REAL300000361585	0	39	-2.0	-102.18	369.12	7.12	-95.06
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SCC(C)C#N)C=C(C(=O)[O-])S1	REAL300000361586	0	39	-2.0	-105.57	374.74	7.88	-97.69
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000361587	0	39	-2.0	-95.04	370.63	8.03	-87.01
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000361588	0	36	-2.0	-97.27	358.37	7.12	-90.15
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000361589	0	39	-2.0	-98.89	372.52	8.06	-90.83
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000361590	0	39	-2.0	-94.89	371.58	8.06	-86.83
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000361591	0	40	-2.0	-108.06	375.83	5.69	-102.37
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000361592	1	42	-2.0	-99.17	388.29	8.76	-90.41
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SCC(C)C#N	REAL300000361593	1	42	-2.0	-103.50	376.15	8.62	-94.88
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SCC(C)C#N	REAL300000361594	1	42	-2.0	-95.66	381.52	8.76	-86.90
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2SCC(C)C#N)C=C1C(=O)[O-]	REAL300000361595	0	43	-2.0	-107.32	394.14	8.20	-99.12
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SCC(C)C#N)=CC=C1C(=O)[O-]	REAL300000361596	1	42	-2.0	-97.12	386.17	8.63	-88.49
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000361597	0	39	-2.0	-111.37	369.75	8.01	-103.36
CC(C#N)CSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000361598	0	38	-2.0	-105.81	362.32	6.10	-99.71
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SCC(C)C#N)C=C(C(=O)[O-])O1	REAL300000361599	0	42	-2.0	-101.82	388.23	7.98	-93.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)=CC=C1F	REAL300000361600	1	38	-2.0	-104.02	353.96	6.14	-97.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C=C1	REAL300000361601	1	38	-2.0	-94.27	349.40	6.12	-88.15
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)=C1	REAL300000361602	1	38	-2.0	-107.07	349.23	6.11	-100.96
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C=C1	REAL300000361603	1	42	-2.0	-93.75	380.88	7.41	-86.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C=C1C(=O)[O-]	REAL300000361604	1	41	-2.0	-107.24	367.19	6.72	-100.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)=C1C	REAL300000361605	1	44	-2.0	-109.32	381.63	7.42	-101.90
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)=C1	REAL300000361606	0	38	-2.0	-103.90	354.71	6.17	-97.73
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C=C1	REAL300000361607	1	44	-2.0	-92.84	393.00	7.70	-85.14
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)=C1	REAL300000361608	0	35	-2.0	-101.40	342.42	5.12	-96.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2=CC=NC=C2)=C1	REAL300000361609	1	41	-2.0	-107.49	364.66	6.89	-100.60
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C=C1C(=O)[O-]	REAL300000361610	0	39	-2.0	-104.91	356.06	5.46	-99.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)=C1	REAL300000361611	0	38	-2.0	-97.55	358.35	5.79	-91.76
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C=C1C(=O)[O-]	REAL300000361612	1	44	-2.0	-108.90	381.92	7.52	-101.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)=CS1	REAL300000361613	0	35	-2.0	-102.75	340.88	5.14	-97.61
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2=CC=NC=C2)=C1	REAL300000361614	1	44	-2.0	-105.84	379.39	7.82	-98.02
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000361615	0	38	-2.0	-100.73	352.24	5.24	-95.49
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C=C(C(=O)[O-])S1	REAL300000361616	0	38	-2.0	-104.02	357.83	6.00	-98.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C=C1F	REAL300000361617	1	38	-2.0	-93.77	353.93	6.15	-87.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)S1	REAL300000361618	0	35	-2.0	-96.41	341.50	5.24	-91.17
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)=C1	REAL300000361619	1	38	-2.0	-97.37	355.82	6.18	-91.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C(F)=C1	REAL300000361620	0	38	-2.0	-94.19	354.70	6.18	-88.01
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)=C1	REAL300000361621	0	39	-2.0	-106.17	358.95	3.82	-102.35
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(OC3=CC=NC=C3)=C2)=C1	REAL300000361621	1	39	-2.0	-104.05	347.95	4.71	-99.34
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C=C1	REAL300000361622	1	41	-2.0	-97.32	371.60	6.90	-90.42
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2=CC=NC=C2)=C1	REAL300000361623	1	41	-2.0	-103.76	360.92	6.81	-96.95
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2=CC=NC=C2)=C1	REAL300000361624	1	41	-2.0	-94.91	364.64	6.88	-88.03
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)=CC(C(=O)[O-])=C1C	REAL300000361625	1	44	-2.0	-109.39	382.83	7.20	-102.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C(C)=C1C(=O)[O-]	REAL300000361626	1	44	-2.0	-107.86	383.88	7.49	-100.37
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C=C1C(=O)[O-]	REAL300000361627	1	44	-2.0	-108.12	383.59	7.29	-100.83
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C=C1C(=O)[O-]	REAL300000361628	0	42	-2.0	-106.17	377.43	6.32	-99.85
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000361629	1	41	-2.0	-94.05	367.19	6.73	-87.32
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)=C1F	REAL300000361630	0	38	-2.0	-111.69	352.85	6.13	-105.56
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)=C1	REAL300000361631	0	37	-2.0	-103.55	347.88	4.22	-99.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)=C(Cl)O1	REAL300000361632	0	35	-2.0	-94.73	349.38	5.09	-89.64
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=NC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000361633	0	41	-2.0	-100.51	371.36	6.09	-94.42
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000361634	0	41	-2.0	-111.42	366.08	5.52	-105.90
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300000361635	0	41	-2.0	-101.22	361.54	5.50	-95.72
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000361636	0	41	-2.0	-113.70	361.55	5.49	-108.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C1=CC=CC=C1	REAL300000361637	0	45	-2.0	-117.23	389.69	5.30	-111.93
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300000361638	0	45	-2.0	-100.05	393.00	6.79	-93.26
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000361639	0	44	-2.0	-114.86	377.59	6.03	-108.83
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C1=CC=CC=C1	REAL300000361640	0	41	-2.0	-107.71	374.62	6.05	-101.66
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000361641	0	41	-2.0	-109.66	374.06	5.88	-103.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)=C1C	REAL300000361642	0	47	-2.0	-114.44	393.95	6.79	-107.65
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C1=CC=CC=C1	REAL300000361643	0	41	-2.0	-109.26	367.03	5.55	-103.71
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300000361644	0	47	-2.0	-99.12	405.12	7.08	-92.04
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=CC=C1	REAL300000361645	0	38	-2.0	-107.94	354.74	4.52	-103.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C1=CC=CC=C1	REAL300000361646	0	44	-2.0	-112.55	376.98	6.26	-106.29
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300000361647	0	45	-2.0	-98.92	392.62	5.78	-93.14
CN1C=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000361648	0	42	-2.0	-112.36	368.20	4.85	-107.51
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C1=CC=CC=C1	REAL300000361649	0	45	-2.0	-113.30	385.76	4.30	-109.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)=C1	REAL300000361650	0	41	-2.0	-103.74	370.67	5.18	-98.56
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000361651	0	47	-2.0	-113.75	393.01	6.80	-106.95
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000361652	0	38	-2.0	-109.46	353.20	4.52	-104.94
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000361653	0	45	-2.0	-118.71	388.84	5.56	-113.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C1=CC=CC=C1	REAL300000361654	0	47	-2.0	-110.12	391.69	7.01	-103.11
CC1=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000361655	0	41	-2.0	-106.43	364.56	4.64	-101.79
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)=C1	REAL300000361656	0	45	-2.0	-116.17	390.45	4.59	-111.58
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C1=CC=CC=C1	REAL300000361657	0	44	-2.0	-103.71	382.26	6.29	-97.42
CC1=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300000361658	0	41	-2.0	-109.27	370.15	5.39	-103.88
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=CC=CC=C1	REAL300000361659	0	41	-2.0	-98.74	374.60	6.04	-92.70
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C1=CC=CC=C1	REAL300000361660	0	41	-2.0	-100.88	366.07	5.53	-95.35
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300000361661	0	38	-2.0	-102.55	353.82	4.62	-97.93
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000361662	0	41	-2.0	-103.95	367.95	5.56	-98.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)=C1F	REAL300000361663	0	44	-2.0	-110.66	387.31	6.20	-104.46
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=CC=CC=C1	REAL300000361664	0	41	-2.0	-100.64	367.02	5.56	-95.08
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C1=CC=CC=C1	REAL300000361665	0	41	-2.0	-98.87	374.05	5.89	-92.98
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000361666	0	41	-2.0	-102.34	372.38	5.58	-96.76
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C1=CC=CC=C1	REAL300000361667	0	42	-2.0	-110.40	371.27	3.22	-107.18
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C1=CC=CC=C1	REAL300000361667	1	41	-3.0	-210.10	367.70	4.10	-206.00
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300000361668	0	44	-2.0	-103.19	383.72	6.28	-96.91
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C1=CC=CC=C1	REAL300000361669	0	44	-2.0	-110.69	371.61	6.11	-104.58
CC1=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)=CC(C(=O)[O-])=C1F	REAL300000361670	0	44	-2.0	-112.81	386.39	6.14	-106.67
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C1=CC=CC=C1	REAL300000361671	0	44	-2.0	-101.26	376.55	6.21	-95.05
CC1=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)=CC(C(=O)[O-])=C1C	REAL300000361672	0	47	-2.0	-117.47	398.35	6.66	-110.81
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=C1	REAL300000361673	0	41	-2.0	-101.42	373.31	5.62	-95.80
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)C(C)=C1C(=O)[O-]	REAL300000361674	0	47	-2.0	-115.10	394.94	6.82	-108.28
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000361675	0	44	-2.0	-110.30	383.02	6.09	-104.21
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)=C1	REAL300000361676	0	44	-2.0	-119.27	386.58	6.18	-113.09
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000361677	0	47	-2.0	-115.49	395.83	6.68	-108.81
CCN1C=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000361678	0	45	-2.0	-113.61	389.56	5.70	-107.91
CC1=CC(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000361679	0	44	-2.0	-101.24	377.56	6.04	-95.20
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C1=CC=CC=C1	REAL300000361680	0	44	-2.0	-110.09	381.51	6.30	-103.79
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C1=CC=CC=C1	REAL300000361681	0	41	-2.0	-118.44	365.21	5.53	-112.91
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000361682	0	44	-2.0	-104.70	382.74	6.06	-98.64
CC(C)(C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=CC=C1	REAL300000361683	0	40	-2.0	-108.48	358.54	3.55	-104.93
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C(C)(C)C1=CC=CC=C1	REAL300000361684	0	45	-2.0	-105.08	389.75	5.30	-99.78
CC(C)(C(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000361685	0	38	-2.0	-100.89	361.69	4.47	-96.42
CCC1=C(S(=O)(=O)[N-]NC(=O)C(C)(C)C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000361686	0	44	-2.0	-105.93	383.67	5.42	-100.51
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)NC(C)C	REAL300000361687	1	44	-2.0	-103.17	384.64	5.65	-97.52
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1C(=O)NC(C)C	REAL300000361688	1	44	-2.0	-93.47	380.09	5.63	-87.84
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C(=O)NC(C)C	REAL300000361689	1	44	-2.0	-105.59	380.10	5.62	-99.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C(C)=C2)C=C1C(=O)[O-]	REAL300000361690	1	47	-2.0	-106.37	396.14	6.16	-100.21
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C(=O)NC(C)C	REAL300000361691	0	44	-2.0	-102.39	385.58	5.69	-96.70
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C(=O)NC(C)C	REAL300000361692	0	41	-2.0	-99.99	373.29	4.65	-95.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)C)C(C)=C1	REAL300000361693	1	47	-2.0	-106.11	395.54	6.42	-99.69
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C(=O)NC(C)C	REAL300000361694	0	45	-2.0	-104.09	386.75	4.98	-99.11
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C(C)=C2)=C1	REAL300000361695	0	44	-2.0	-96.07	389.22	5.31	-90.76
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C(=O)NC(C)C	REAL300000361696	0	41	-2.0	-101.42	371.75	4.66	-96.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000361697	0	44	-2.0	-99.48	383.11	4.77	-94.71
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000361698	0	44	-2.0	-102.73	388.70	5.52	-97.21
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(=O)NC(C)C	REAL300000361699	1	44	-2.0	-93.08	384.63	5.66	-87.42
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C(=O)NC(C)C	REAL300000361700	0	41	-2.0	-94.96	372.37	4.75	-90.21
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(=O)NC(C)C	REAL300000361701	1	44	-2.0	-96.63	386.50	5.69	-90.94
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C(=O)NC(C)C	REAL300000361702	0	44	-2.0	-92.81	385.57	5.69	-87.12
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C(=O)NC(C)C	REAL300000361703	0	45	-2.0	-104.93	389.82	3.34	-101.59
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C(=O)NC(C)C	REAL300000361703	1	45	-2.0	-105.65	388.82	4.21	-101.44
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C(=O)NC(C)C	REAL300000361704	1	47	-2.0	-96.44	402.27	6.41	-90.03
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C(=O)NC(C)C	REAL300000361705	1	47	-2.0	-102.13	390.24	6.27	-95.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1C(=O)NC(C)C	REAL300000361706	1	47	-2.0	-93.71	395.51	6.40	-87.31
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C(C)=C2)C=C1C(=O)[O-]	REAL300000361707	0	48	-2.0	-105.13	408.12	5.84	-99.29
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1C(=O)NC(C)C	REAL300000361708	1	47	-2.0	-93.53	396.13	6.17	-87.36
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C(=O)NC(C)C	REAL300000361709	0	44	-2.0	-109.91	383.72	5.65	-104.26
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C(=O)NC(C)C	REAL300000361710	0	43	-2.0	-103.00	376.33	3.76	-99.24
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000361711	0	47	-2.0	-99.34	402.23	5.62	-93.72
CC1=CC=C(NC(=O)C(C)(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000361712	1	47	-2.0	-97.51	400.69	6.70	-90.81
CC1=CC=C(NC(=O)C(C)(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000361713	1	47	-2.0	-109.32	400.72	6.70	-102.62
CC1=CC=C(NC(=O)C(C)(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000361714	0	44	-2.0	-103.77	393.91	5.72	-98.05
CC1=CC=C(NC(=O)C(C)(C)C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000361715	0	48	-2.0	-107.79	407.37	6.04	-101.75
CC1=CC=C(NC(=O)C(C)(C)C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000361716	0	44	-2.0	-106.26	392.37	5.73	-100.53
CC1=C(S(=O)(=O)[N-]C2=CC(NC(=O)C(C)(C)C)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000361717	0	47	-2.0	-103.92	403.44	5.84	-98.08
CC1=CC=C(NC(=O)C(C)(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000361718	0	44	-2.0	-98.61	392.69	5.83	-92.78
CC1=CC=C(NC(=O)C(C)(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000361719	0	46	-2.0	-106.83	397.41	4.77	-102.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)=CC=C1F	REAL300000361720	1	39	-2.0	-107.48	362.34	6.52	-100.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)C=C1	REAL300000361721	1	39	-2.0	-98.76	357.79	6.50	-92.26
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)=C1	REAL300000361722	1	39	-2.0	-113.47	357.81	6.49	-106.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000361723	1	42	-2.0	-114.44	377.87	7.14	-107.30
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)=C1	REAL300000361724	0	39	-2.0	-111.48	363.28	6.55	-104.93
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)=C1	REAL300000361725	0	36	-2.0	-107.89	350.99	5.50	-102.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2=O)C(F)=C1	REAL300000361726	1	42	-2.0	-115.24	373.24	7.27	-107.97
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000361727	0	40	-2.0	-110.11	364.45	5.84	-104.27
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)=C1	REAL300000361728	0	39	-2.0	-105.11	366.92	6.16	-98.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)=CS1	REAL300000361729	0	36	-2.0	-111.05	349.45	5.52	-105.53
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000361730	0	39	-2.0	-108.05	360.81	5.62	-102.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000361731	0	39	-2.0	-111.59	366.40	6.39	-105.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)C=C1F	REAL300000361732	1	39	-2.0	-98.58	362.32	6.53	-92.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)S1	REAL300000361733	0	36	-2.0	-103.92	350.07	5.62	-98.30
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)=C1	REAL300000361734	1	39	-2.0	-102.71	364.20	6.56	-96.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)C(F)=C1	REAL300000361735	0	39	-2.0	-97.79	363.25	6.55	-91.24
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)=C1	REAL300000361736	0	40	-2.0	-114.55	367.52	4.20	-110.35
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3CCCC3=O)C(F)=C2)=C1	REAL300000361736	1	40	-2.0	-110.07	366.69	5.01	-105.06
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)C=C1	REAL300000361737	1	42	-2.0	-103.18	379.98	7.26	-95.92
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2=O)C(F)=C1	REAL300000361738	1	42	-2.0	-111.20	367.87	7.13	-104.07
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2=O)C(F)=C1	REAL300000361739	1	42	-2.0	-99.15	373.20	7.25	-91.90
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000361740	0	43	-2.0	-113.14	385.82	6.70	-106.44
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000361741	1	42	-2.0	-98.70	373.80	7.03	-91.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)=C1F	REAL300000361742	0	39	-2.0	-119.13	361.47	6.52	-112.61
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)=C1	REAL300000361743	0	38	-2.0	-112.04	354.79	4.54	-107.50
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3=O)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000361744	0	42	-2.0	-108.07	379.93	6.47	-101.60
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Br	REAL300000361746	1	32	-2.0	-106.13	315.61	4.96	-101.17
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Br	REAL300000361747	0	29	-2.0	-100.36	308.79	3.99	-96.37
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Br	REAL300000361748	1	33	-2.0	-104.50	322.24	4.33	-100.17
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Br	REAL300000361749	1	29	-2.0	-101.78	307.26	4.01	-97.77
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Br	REAL300000361750	0	32	-2.0	-100.74	318.62	4.10	-96.64
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Br	REAL300000361751	0	29	-2.0	-95.33	307.88	4.09	-91.24
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Br	REAL300000361752	0	31	-2.0	-99.93	312.59	3.02	-96.91
CCC1=CC=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000361783	0	40	-2.0	-110.47	355.23	8.51	-101.96
CCC1=CC=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000361814	0	38	-2.0	-108.95	324.34	6.65	-102.30
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)N=C1	REAL300000361853	1	41	-2.0	-110.61	373.80	6.01	-104.60
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)N=C1	REAL300000361855	0	38	-2.0	-104.81	366.98	5.02	-99.79
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)N=C1	REAL300000361857	1	42	-2.0	-109.15	380.35	5.35	-103.80
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)N=C1	REAL300000361858	1	38	-2.0	-106.33	365.45	5.04	-101.29
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=C(C)C=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000361859	0	41	-2.0	-104.42	376.81	5.15	-99.27
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)N=C1	REAL300000361860	0	38	-2.0	-99.81	366.07	5.14	-94.67
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)N=C1	REAL300000361861	1	44	-2.0	-101.66	395.97	6.80	-94.86
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)N=C1	REAL300000361865	0	40	-2.0	-108.32	370.01	4.12	-104.20
CC1=NC(COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)=NO1	REAL300000361868	0	37	-2.0	-106.22	361.73	2.82	-103.40
CC1=NC(COC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=NO1	REAL300000361869	1	41	-2.0	-109.23	375.19	3.15	-106.08
CC1=NC(COC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)=NO1	REAL300000361870	1	37	-2.0	-106.60	360.19	2.82	-103.78
CC1=NC(COC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)=NO1	REAL300000361871	0	40	-2.0	-105.12	371.55	2.93	-102.19
CC1=NC(COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)=NO1	REAL300000361872	0	37	-2.0	-100.19	360.81	2.92	-97.27
CC1=NC(COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=NO1	REAL300000361873	0	39	-2.0	-108.48	364.76	1.91	-106.57
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000361874	1	40	-2.0	-132.74	356.42	7.20	-125.54
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000361875	1	37	-2.0	-135.50	340.97	6.43	-129.07
CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1C(=O)[O-]	REAL300000361878	0	31	-2.0	-140.01	294.70	6.05	-133.96
CC1=CC=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000361879	0	34	-2.0	-105.86	319.28	5.40	-100.46
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1C(=O)[O-]	REAL300000361880	0	30	-2.0	-120.80	298.06	4.41	-116.39
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C1C(=O)[O-]	REAL300000361881	1	32	-2.0	-126.88	307.02	6.17	-120.71
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1C(=O)[O-]	REAL300000361883	0	31	-2.0	-128.79	308.43	6.36	-122.43
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=C1C(=O)[O-]	REAL300000361884	0	32	-2.0	-139.89	304.27	6.06	-133.83
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1Br	REAL300000361885	1	34	-2.0	-126.13	325.68	6.96	-119.17
CC1=CC=CC(OC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C2)=C1	REAL300000361886	1	45	-2.0	-128.84	397.69	9.38	-119.46
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1C(=O)[O-]	REAL300000361887	0	31	-2.0	-130.53	302.68	6.48	-124.05
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1NC(C)=O	REAL300000361888	1	42	-2.0	-149.40	370.26	4.10	-145.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=C1C(=O)[O-]	REAL300000361889	1	35	-2.0	-123.13	332.16	5.57	-117.56
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000361890	0	41	-2.0	-98.34	370.56	4.83	-93.51
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000361890	1	40	-3.0	-183.68	371.10	4.92	-178.76
CC1=CC=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000361891	0	34	-2.0	-122.72	318.77	6.28	-116.44
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000361891	1	33	-3.0	-204.86	319.19	6.37	-198.49
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000361893	0	35	-2.0	-128.08	335.50	7.85	-120.23
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1C(=O)[O-]	REAL300000361894	1	40	-2.0	-132.70	349.02	5.72	-126.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000361895	1	36	-2.0	-129.62	330.45	6.97	-122.65
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000361896	0	41	-3.0	-201.48	374.28	7.42	-194.06
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C)=C1C(=O)[O-]	REAL300000361896	1	42	-2.0	-108.69	372.18	6.86	-101.83
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=C1C(=O)[O-]	REAL300000361897	0	28	-2.0	-123.58	299.81	5.50	-118.08
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1Cl	REAL300000361898	0	37	-2.0	-127.91	345.91	8.28	-119.63
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=C1C(=O)[O-]	REAL300000361900	1	47	-2.0	-131.78	388.05	9.59	-122.19
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1C(=O)[O-]	REAL300000361901	1	34	-2.0	-122.57	324.91	6.78	-115.79
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1C(=O)[O-]	REAL300000361902	1	41	-2.0	-135.32	348.91	8.27	-127.05
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000361903	0	34	-2.0	-106.15	314.14	6.25	-99.90
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000361903	1	33	-3.0	-192.67	314.64	6.34	-186.33
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000361904	0	39	-2.0	-139.87	343.93	4.85	-135.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1OC	REAL300000361905	1	39	-2.0	-130.39	344.91	4.98	-125.41
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1C(=O)[O-]	REAL300000361906	1	38	-2.0	-135.44	331.71	7.69	-127.75
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1	REAL300000361907	0	33	-2.0	-120.99	299.28	4.73	-116.26
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1C(=O)[O-]	REAL300000361908	1	31	-2.0	-121.53	318.11	6.75	-114.78
CC1=CC=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000361909	0	34	-2.0	-123.17	313.59	6.22	-116.95
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000361909	1	33	-3.0	-209.49	314.65	6.33	-203.16
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1C(=O)[O-]	REAL300000361910	1	31	-2.0	-120.10	298.89	5.90	-114.20
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1C(=O)[O-]	REAL300000361911	0	31	-2.0	-125.92	316.05	6.86	-119.06
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000361912	1	34	-2.0	-127.35	324.92	6.78	-120.57
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000361913	1	34	-2.0	-133.51	307.59	6.44	-127.07
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000361915	0	34	-2.0	-134.31	312.07	7.15	-127.16
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000361916	1	34	-2.0	-120.56	338.08	7.20	-113.36
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000361917	1	31	-2.0	-127.94	302.92	6.30	-121.64
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)=C1C(=O)[O-]	REAL300000361918	0	34	-2.0	-124.65	338.39	7.36	-117.29
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000361919	1	36	-2.0	-130.20	328.94	6.27	-123.93
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000361920	1	37	-2.0	-132.67	323.09	7.20	-125.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C	REAL300000361921	1	37	-2.0	-134.86	324.60	6.97	-127.89
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1C(=O)[O-]	REAL300000361922	1	31	-2.0	-120.47	308.78	6.35	-114.12
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000361923	1	36	-2.0	-142.50	326.67	6.16	-136.34
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000361925	1	40	-2.0	-125.59	362.81	7.37	-118.22
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1C(=O)[O-]	REAL300000361926	0	31	-2.0	-129.11	314.52	6.80	-122.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000361927	1	37	-2.0	-128.05	341.70	6.52	-121.53
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=C1C(=O)[O-]	REAL300000361928	1	43	-2.0	-132.53	362.40	8.09	-124.44
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(C)C)C=C2)=C1C(=O)[O-]	REAL300000361929	1	40	-2.0	-132.28	346.41	7.71	-124.57
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000361930	1	43	-2.0	-131.98	364.87	8.37	-123.61
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)N(C)C)C=C2)=C1C(=O)[O-]	REAL300000361931	1	42	-2.0	-132.49	381.70	3.77	-128.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000361932	0	37	-3.0	-210.69	342.80	6.13	-204.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C)=C1C(=O)[O-]	REAL300000361932	1	38	-2.0	-108.89	340.70	5.58	-103.31
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000361933	0	38	-2.0	-103.76	345.67	7.54	-96.22
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000361933	1	37	-3.0	-190.22	346.09	7.63	-182.59
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1C(=O)[O-]	REAL300000361934	0	28	-2.0	-123.32	295.17	5.40	-117.92
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000361935	1	40	-2.0	-132.42	350.58	7.99	-124.43
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000361936	0	35	-2.0	-139.00	314.46	5.57	-133.43
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000361937	0	37	-2.0	-123.96	330.20	6.79	-117.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000361937	1	36	-3.0	-213.22	334.67	6.98	-206.24
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000361938	0	42	-2.0	-139.87	370.25	4.47	-135.40
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1C(=O)[O-]	REAL300000361939	0	31	-2.0	-126.87	304.25	5.96	-120.91
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000361940	1	31	-2.0	-122.16	319.66	6.81	-115.35
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1C(=O)[O-]	REAL300000361941	0	31	-2.0	-132.03	299.33	6.34	-125.69
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1C(=O)[O-]	REAL300000361942	1	31	-2.0	-127.89	307.48	6.40	-121.49
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000361943	0	33	-2.0	-128.00	314.41	6.45	-121.55
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000361944	1	36	-2.0	-124.48	329.90	7.21	-117.27
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000361945	1	33	-2.0	-121.03	326.86	6.83	-114.20
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000361947	0	33	-2.0	-145.58	304.74	7.16	-138.42
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C(=O)[O-]	REAL300000361948	0	33	-3.0	-199.41	327.73	6.91	-192.50
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C(=O)[O-]	REAL300000361948	1	34	-2.0	-101.83	325.44	6.42	-95.41
CC1=CC=CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000361949	0	34	-2.0	-119.89	326.75	6.64	-113.25
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000361949	1	33	-3.0	-204.23	327.16	6.73	-197.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000361950	1	34	-2.0	-132.73	307.60	6.44	-126.29
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1C(=O)[O-]	REAL300000361952	0	31	-2.0	-127.71	298.10	5.91	-121.80
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1C(=O)[O-]	REAL300000361953	1	31	-2.0	-128.23	292.59	5.84	-122.39
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1C(=O)[O-]	REAL300000361954	0	31	-2.0	-121.31	299.01	5.91	-115.40
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1C	REAL300000361955	1	43	-2.0	-134.68	350.44	8.57	-126.11
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1C(=O)[O-]	REAL300000361956	1	37	-2.0	-132.77	330.67	4.93	-127.84
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000361958	1	46	-2.0	-134.07	377.89	8.86	-125.21
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1C(=O)[O-]	REAL300000361959	1	31	-2.0	-124.53	302.91	6.30	-118.23
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1C(=O)[O-]	REAL300000361960	1	31	-2.0	-124.61	307.47	6.40	-118.21
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000361961	0	33	-2.0	-118.02	314.41	6.45	-111.57
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000361962	1	38	-2.0	-137.25	341.76	4.66	-132.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000361963	0	31	-2.0	-131.19	300.02	5.58	-125.61
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)(C)C)C=C2)=C1C(=O)[O-]	REAL300000361964	1	47	-2.0	-135.74	400.54	6.69	-129.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])=C1C	REAL300000361965	0	40	-2.0	-101.98	347.51	7.64	-94.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1C	REAL300000361965	1	39	-3.0	-206.52	347.77	7.66	-198.86
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000361966	0	35	-2.0	-130.95	331.18	6.09	-124.86
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000361967	1	34	-2.0	-126.38	322.98	7.17	-119.21
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000361968	0	33	-2.0	-135.14	324.00	7.70	-127.44
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C(=O)[O-]	REAL300000361969	0	33	-3.0	-203.26	320.13	6.40	-196.86
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1C(=O)[O-]	REAL300000361970	0	28	-2.0	-120.85	309.04	5.93	-114.92
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(C)C)C=C2)=C1C(=O)[O-]	REAL300000361971	1	46	-2.0	-132.32	389.65	9.28	-123.04
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=C1C(=O)[O-]	REAL300000361972	1	36	-2.0	-128.15	324.44	7.04	-121.11
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1C(=O)[O-]	REAL300000361973	0	31	-2.0	-130.67	298.10	5.91	-124.76
CC1=CC=CC(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000361974	0	40	-2.0	-102.84	357.80	7.84	-95.00
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000361974	1	39	-3.0	-191.92	358.23	7.93	-183.99
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000361975	1	41	-2.0	-136.77	362.07	5.47	-131.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1C(=O)[O-]	REAL300000361976	1	35	-2.0	-125.52	321.94	2.59	-122.93
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000361978	1	35	-2.0	-129.94	326.37	6.80	-123.14
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1C(=O)[O-]	REAL300000361979	1	36	-2.0	-127.08	328.21	4.24	-122.84
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=C1C(=O)[O-]	REAL300000361980	1	39	-2.0	-128.33	346.01	4.96	-123.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1OCC	REAL300000361981	1	45	-2.0	-131.09	388.62	6.82	-124.27
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C(=O)[O-]	REAL300000361983	0	30	-3.0	-201.53	307.85	5.35	-196.18
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1C(=O)[O-]	REAL300000361984	1	34	-2.0	-124.89	317.93	3.28	-121.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C)=C1C(=O)[O-]	REAL300000361986	0	37	-2.0	-100.65	330.47	7.10	-93.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000361986	1	36	-3.0	-204.14	330.09	7.12	-197.02
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1	REAL300000361987	0	37	-2.0	-129.63	323.80	4.86	-124.77
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000361988	1	39	-2.0	-138.19	362.79	1.95	-136.24
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1C	REAL300000361989	1	39	-2.0	-124.75	347.62	7.77	-116.98
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C2CC1C	REAL300000361990	1	45	-2.0	-141.21	380.76	7.35	-133.86
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000361991	1	37	-2.0	-126.01	340.95	6.44	-119.57
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000361992	1	38	-2.0	-130.40	342.61	4.05	-126.35
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)=C1C(=O)[O-]	REAL300000361993	1	36	-2.0	-128.75	340.39	0.74	-128.01
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)=C1C(=O)[O-]	REAL300000361994	1	35	-2.0	-127.36	341.48	5.91	-121.45
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)=C1C(=O)[O-]	REAL300000361995	1	42	-2.0	-140.06	362.98	6.88	-133.18
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])=CC=C21	REAL300000361996	1	45	-2.0	-144.96	378.84	7.30	-137.66
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=C1C(=O)[O-]	REAL300000361997	1	35	-2.0	-130.08	320.68	2.56	-127.52
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])=CC=C21	REAL300000361998	1	42	-2.0	-141.78	366.78	6.90	-134.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000361999	1	37	-2.0	-132.24	329.07	7.22	-125.02
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1C(=O)[O-]	REAL300000362000	1	37	-2.0	-136.69	332.13	8.06	-128.63
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=CS1	REAL300000362001	0	34	-2.0	-141.53	325.77	6.08	-135.45
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362002	1	41	-2.0	-130.45	362.76	6.28	-124.17
CC1=CC=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000362003	0	38	-2.0	-104.09	345.27	6.53	-97.56
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=C1C(=O)[O-]	REAL300000362005	1	42	-2.0	-135.16	370.41	9.90	-125.26
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(C)C)C=C2)=C1C(=O)[O-]	REAL300000362006	1	43	-2.0	-132.14	367.33	8.46	-123.68
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1C(=O)[O-]	REAL300000362007	1	31	-2.0	-123.42	292.58	5.84	-117.58
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1C(=O)[O-]	REAL300000362008	0	31	-2.0	-137.60	291.69	5.84	-131.76
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)=C1C(=O)[O-]	REAL300000362010	0	36	-2.0	-126.14	341.32	4.78	-121.36
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C1C(=O)[O-]	REAL300000362011	1	36	-2.0	-126.80	328.57	6.28	-120.52
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])=C2N=C1	REAL300000362012	0	39	-2.0	-150.91	347.54	7.05	-143.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(Cl)=C1	REAL300000362014	0	34	-2.0	-132.14	320.74	7.01	-125.13
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1C(=O)[O-]	REAL300000362015	0	35	-2.0	-134.52	330.95	6.05	-128.47
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=C1C(=O)[O-]	REAL300000362016	1	37	-2.0	-127.69	336.92	3.02	-124.67
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)=C1C(=O)[O-]	REAL300000362017	1	36	-2.0	-136.94	340.42	0.73	-136.21
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)=C1C(=O)[O-]	REAL300000362018	1	39	-2.0	-127.63	349.03	6.21	-121.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000362019	0	37	-2.0	-140.99	336.74	6.48	-134.51
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)=C1C(=O)[O-]	REAL300000362020	1	37	-2.0	-124.49	342.74	2.77	-121.72
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)=C1C(=O)[O-]	REAL300000362021	1	38	-2.0	-124.44	352.03	5.04	-119.40
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=C1C(=O)[O-]	REAL300000362022	1	36	-2.0	-123.46	333.88	7.27	-116.19
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)=C1C(=O)[O-]	REAL300000362023	1	37	-2.0	-126.78	340.31	5.73	-121.05
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000362024	1	35	-2.0	-125.64	332.18	5.57	-120.07
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=C1C(=O)[O-]	REAL300000362025	1	37	-2.0	-138.40	346.88	3.30	-135.10
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362027	1	39	-2.0	-128.73	362.81	1.94	-126.79
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1C(=O)[O-]	REAL300000362028	0	31	-2.0	-122.84	305.72	6.41	-116.43
CC1=CC=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=C1C(=O)[O-]	REAL300000362029	0	43	-2.0	-138.33	372.12	5.12	-133.21
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000362030	0	38	-2.0	-147.45	348.01	4.74	-142.71
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=C1C(=O)[O-]	REAL300000362031	1	37	-2.0	-142.49	346.88	3.30	-139.19
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)=C1C(=O)[O-]	REAL300000362032	1	40	-2.0	-134.22	360.40	8.48	-125.74
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)N(C)C)=C2)=C1C(=O)[O-]	REAL300000362033	1	42	-2.0	-138.14	381.79	3.78	-134.36
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1OC	REAL300000362035	0	39	-2.0	-132.79	350.40	5.05	-127.74
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1OC	REAL300000362036	1	42	-2.0	-129.24	360.37	5.74	-123.50
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362037	0	34	-3.0	-206.92	321.30	5.70	-201.22
CC1=CC=CC(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362037	1	35	-2.0	-120.61	322.56	5.64	-114.97
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=C1C(=O)[O-]	REAL300000362038	0	31	-2.0	-138.45	303.65	5.34	-133.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(Br)=C1	REAL300000362039	0	34	-2.0	-130.61	324.09	7.14	-123.47
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=C1C(=O)[O-]	REAL300000362040	0	36	-2.0	-128.63	328.41	1.93	-126.70
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C)=C1C(=O)[O-]	REAL300000362041	0	38	-2.0	-102.16	339.10	5.14	-97.02
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362042	0	37	-2.0	-131.68	354.05	6.99	-124.69
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000362044	1	35	-2.0	-127.42	331.72	5.64	-121.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1F	REAL300000362045	1	35	-2.0	-127.23	321.92	5.15	-122.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C(N)=O	REAL300000362048	1	38	-2.0	-125.39	336.77	3.23	-122.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C(N)=O	REAL300000362049	1	39	-2.0	-126.83	348.00	3.15	-123.68
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)C3=CC=CC=C32)=C1C(=O)[O-]	REAL300000362050	1	47	-2.0	-139.32	395.28	8.99	-130.33
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362051	0	36	-2.0	-117.27	329.91	7.21	-110.06
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CN1C	REAL300000362053	0	39	-2.0	-129.69	350.37	3.42	-126.27
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362054	1	34	-2.0	-126.48	318.41	7.06	-119.42
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=N2)C=C1	REAL300000362056	0	41	-2.0	-130.00	368.15	7.57	-122.43
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)=C1C(=O)[O-]	REAL300000362058	1	42	-2.0	-129.82	361.69	5.91	-123.91
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)=C1C(=O)[O-]	REAL300000362060	1	39	-2.0	-130.56	349.75	5.63	-124.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362061	0	33	-3.0	-197.04	323.76	6.02	-191.02
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=C1C(=O)[O-]	REAL300000362063	1	32	-2.0	-119.32	322.38	6.59	-112.73
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000362064	0	40	-2.0	-101.01	346.08	7.63	-93.38
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C1C(=O)[O-]	REAL300000362065	1	35	-2.0	-136.08	324.56	6.15	-129.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C2=CC=CN=C12	REAL300000362066	1	40	-2.0	-134.36	351.50	5.56	-128.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000362067	1	34	-2.0	-129.12	321.66	6.88	-122.24
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1C(=O)[O-]	REAL300000362068	0	31	-2.0	-134.30	307.86	6.34	-127.96
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Br)=C1C(=O)[O-]	REAL300000362069	0	31	-2.0	-121.36	309.08	6.54	-114.82
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362071	0	37	-2.0	-124.16	342.66	6.24	-117.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C2=CC=CC=C12	REAL300000362072	1	41	-2.0	-139.24	355.56	7.44	-131.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1F	REAL300000362073	1	34	-2.0	-128.93	312.92	6.49	-122.44
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362074	1	34	-2.0	-123.81	318.41	7.05	-116.76
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)=C1C(=O)[O-]	REAL300000362075	0	31	-2.0	-122.61	326.52	7.60	-115.01
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362076	0	34	-2.0	-138.07	313.10	6.51	-131.56
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362077	1	34	-2.0	-126.36	308.08	6.61	-119.75
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C1C(=O)[O-]	REAL300000362078	1	37	-2.0	-130.00	346.24	7.84	-122.16
CC1=CC=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000362079	0	36	-2.0	-146.44	322.24	8.01	-138.43
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)=C1C(=O)[O-]	REAL300000362080	0	39	-2.0	-133.28	351.48	5.03	-128.25
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)=C1C(=O)[O-]	REAL300000362081	1	41	-2.0	-145.12	357.30	5.60	-139.52
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362083	0	39	-2.0	-150.85	347.48	7.06	-143.79
CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362086	0	30	-3.0	-203.26	306.31	5.38	-197.88
CC1=CC=CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362086	1	31	-2.0	-118.51	306.75	5.32	-113.19
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1Cl	REAL300000362087	0	34	-2.0	-132.68	328.51	7.68	-125.00
COC1=CC(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000362088	0	42	-2.0	-125.18	372.06	6.06	-119.12
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000362088	1	41	-3.0	-210.35	372.97	6.14	-204.21
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362089	1	40	-2.0	-140.08	362.38	4.06	-136.02
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=C1C(=O)[O-]	REAL300000362090	0	33	-2.0	-117.53	327.55	7.01	-110.52
COC1=CC=C(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000362091	0	38	-2.0	-129.75	341.50	6.31	-123.44
CC1=CC=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)=C1C(=O)[O-]	REAL300000362092	1	39	-2.0	-134.01	335.80	7.14	-126.87
CC1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=C1C(=O)[O-]	REAL300000362094	0	28	-2.0	-127.52	298.50	5.33	-122.19
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1O	REAL300000362095	1	38	-2.0	-127.95	349.79	4.46	-123.49
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362096	1	44	-2.0	-143.50	389.59	5.57	-137.93
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000362097	0	33	-2.0	-137.51	313.18	7.25	-130.26
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362098	0	45	-2.0	-141.50	396.64	4.58	-136.92
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C(=O)[O-]	REAL300000362099	0	44	-2.0	-108.06	367.84	8.52	-99.54
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C(=O)[O-]	REAL300000362099	1	43	-3.0	-210.82	369.90	8.96	-201.86
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C(=O)[O-]	REAL300000362100	0	43	-2.0	-107.25	366.04	7.88	-99.37
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C(=O)[O-]	REAL300000362100	1	42	-3.0	-207.80	368.56	8.34	-199.46
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1C(=O)[O-]	REAL300000362101	1	41	-2.0	-133.26	360.36	9.19	-124.07
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000362102	0	33	-2.0	-142.31	319.59	7.14	-135.17
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362103	1	42	-2.0	-142.02	376.93	5.44	-136.58
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)=C1C(=O)[O-]	REAL300000362106	1	42	-2.0	-142.68	374.24	5.75	-136.93
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362107	0	35	-2.0	-131.28	317.38	4.14	-127.14
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C)=C1C(=O)[O-]	REAL300000362108	0	40	-2.0	-105.60	342.51	7.39	-98.21
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362108	1	39	-3.0	-199.98	344.33	8.04	-191.94
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1C(=O)[O-]	REAL300000362109	0	34	-2.0	-136.37	325.70	6.68	-129.69
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)N(C)C2=C3C=CC=C2)=C1C(=O)[O-]	REAL300000362110	1	44	-2.0	-140.89	386.01	9.61	-131.28
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362111	0	40	-3.0	-218.80	365.09	6.90	-211.90
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C)=C1C(=O)[O-]	REAL300000362111	1	41	-2.0	-107.03	362.99	6.34	-100.69
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362112	0	36	-3.0	-185.09	341.96	6.78	-178.31
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362112	1	35	-4.0	-301.98	343.06	6.90	-295.08
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362113	0	34	-2.0	-123.82	334.08	5.54	-118.28
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C(=O)[O-]	REAL300000362114	0	41	-2.0	-108.27	357.14	7.76	-100.51
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C(=O)[O-]	REAL300000362114	1	40	-3.0	-210.86	358.91	8.23	-202.63
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(S(C)(=O)=O)=C2)=C1C(=O)[O-]	REAL300000362115	1	37	-2.0	-136.69	351.28	3.32	-133.37
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C	REAL300000362116	0	39	-2.0	-145.90	346.37	8.43	-137.47
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C1C(=O)[O-]	REAL300000362117	0	35	-2.0	-122.29	324.01	6.15	-116.14
CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1C(=O)[O-]	REAL300000362118	0	31	-2.0	-128.31	301.09	6.11	-122.20
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362119	0	41	-2.0	-137.65	382.28	4.71	-132.94
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362120	0	41	-2.0	-128.38	379.71	4.75	-123.63
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)C=C(C(=O)[O-])O1	REAL300000362121	0	33	-3.0	-195.97	317.66	5.48	-190.49
CC1=C(S(=O)(=O)NC2=C(C(=O)[O-])C(C)=CC=C2)C=C(C(=O)[O-])O1	REAL300000362121	1	34	-2.0	-101.29	316.10	5.00	-96.29
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1C(=O)[O-]	REAL300000362122	0	34	-2.0	-153.36	314.39	4.97	-148.39
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362123	0	37	-2.0	-136.40	346.45	6.48	-129.92
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362124	0	41	-2.0	-141.77	357.72	7.16	-134.61
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000362125	1	34	-2.0	-119.69	330.50	6.84	-112.85
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362126	1	47	-2.0	-131.35	398.00	7.51	-123.84
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000362128	0	33	-2.0	-144.24	318.83	7.84	-136.40
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1C(=O)[O-]	REAL300000362129	1	36	-2.0	-141.59	334.53	5.95	-135.64
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C2=CC=CC=C12	REAL300000362130	1	44	-2.0	-138.86	377.42	8.36	-130.50
CC1=CC=CC(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362131	0	40	-2.0	-126.69	355.88	6.01	-120.68
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362131	1	39	-3.0	-215.75	356.81	6.11	-209.64
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)=C1C(=O)[O-]	REAL300000362132	1	35	-2.0	-124.62	342.56	7.24	-117.38
CC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1C(=O)[O-]	REAL300000362133	0	30	-2.0	-121.55	302.51	4.59	-116.96
CC1=CC=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2F)=C1C(=O)[O-]	REAL300000362136	0	37	-2.0	-138.76	352.40	3.36	-135.40
CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000362137	0	33	-2.0	-148.91	311.44	7.33	-141.58
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362138	0	37	-3.0	-218.47	343.58	5.42	-213.05
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362138	1	38	-2.0	-115.01	341.35	4.92	-110.09
CC1=CC=CC(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1C(=O)[O-]	REAL300000362139	0	42	-2.0	-108.42	366.75	6.85	-101.57
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000362140	0	38	-2.0	-130.51	346.75	6.90	-123.61
CC1=CC=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000362141	0	41	-2.0	-128.70	372.16	7.33	-121.37
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1C(=O)[O-]	REAL300000362143	0	33	-3.0	-194.30	332.25	6.92	-187.38
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1C(=O)[O-]	REAL300000362143	1	34	-2.0	-100.30	330.65	6.45	-93.85
CC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1C(=O)[O-]	REAL300000362144	0	30	-2.0	-121.26	287.60	4.06	-117.20
CC1=CC=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1C(=O)[O-]	REAL300000362145	0	38	-2.0	-101.84	360.90	7.05	-94.79
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1C(=O)[O-]	REAL300000362145	1	37	-3.0	-187.04	361.77	7.16	-179.88
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)=C1C(=O)[O-]	REAL300000362146	0	31	-2.0	-130.76	312.99	6.46	-124.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C(F)(F)F	REAL300000362147	1	37	-2.0	-128.33	340.61	7.29	-121.04
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)=C1C(=O)[O-]	REAL300000362148	1	41	-2.0	-127.65	366.43	6.69	-120.96
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362149	0	34	-2.0	-129.69	334.24	5.43	-124.26
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362150	1	39	-2.0	-120.81	344.22	8.15	-112.66
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=C1C(=O)[O-]	REAL300000362151	1	36	-2.0	-133.63	322.35	6.21	-127.42
CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)=C1C(=O)[O-]	REAL300000362152	0	37	-2.0	-133.40	359.02	6.53	-126.87
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1C(=O)[O-]	REAL300000362153	0	30	-2.0	-122.36	311.35	4.91	-117.45
CC1=CC(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300000362154	0	41	-2.0	-104.90	365.25	7.23	-97.67
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C(C)=CC=C3)C=C12	REAL300000362156	1	39	-2.0	-125.75	352.51	5.50	-120.25
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C(C)=CC=C3)C=C12	REAL300000362157	0	35	-2.0	-120.04	325.94	2.76	-117.28
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=C1C(=O)[O-]	REAL300000362159	1	40	-2.0	-134.67	367.74	8.62	-126.05
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1C(=O)[O-]	REAL300000362160	0	31	-2.0	-135.81	297.97	5.90	-129.91
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000362161	0	35	-2.0	-134.94	324.16	5.36	-129.58
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000362162	0	33	-2.0	-137.77	323.51	7.70	-130.07
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C(=O)[O-]	REAL300000362163	0	37	-2.0	-99.50	332.76	6.70	-92.80
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C(=O)[O-]	REAL300000362163	1	36	-3.0	-194.49	335.37	7.14	-187.35
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1C(=O)[O-]	REAL300000362164	0	37	-2.0	-138.58	329.33	5.41	-133.17
CC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)=CN1C	REAL300000362165	0	34	-2.0	-141.83	309.72	4.67	-137.16
CC1=CC=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C(=O)[O-]	REAL300000362166	0	38	-2.0	-102.93	351.09	6.59	-96.34
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C(=O)[O-]	REAL300000362166	1	37	-3.0	-187.55	351.96	6.68	-180.87
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1C(=O)[O-]	REAL300000362167	0	35	-2.0	-133.59	324.21	5.83	-127.76
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362168	1	40	-2.0	-135.10	362.83	7.36	-127.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=N1	REAL300000362169	0	34	-2.0	-127.69	312.27	4.34	-123.35
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362170	1	43	-2.0	-125.27	384.31	8.16	-117.11
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C(=O)NC(=O)N3C)=C1C(=O)[O-]	REAL300000362171	0	39	-2.0	-121.22	355.86	3.19	-118.03
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362172	1	38	-2.0	-134.03	341.25	5.50	-128.53
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=C1C(=O)[O-]	REAL300000362173	0	39	-2.0	-140.93	351.76	6.34	-134.59
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=C1C(=O)[O-]	REAL300000362174	0	34	-2.0	-129.43	330.75	6.85	-122.58
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1C(=O)[O-]	REAL300000362175	0	31	-2.0	-131.11	318.27	5.88	-125.23
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000362176	0	41	-2.0	-110.13	363.36	7.22	-102.91
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1C(=O)[O-]	REAL300000362177	1	36	-2.0	-129.88	322.17	5.08	-124.80
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1F	REAL300000362178	1	40	-2.0	-122.99	367.38	7.38	-115.61
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1C(=O)[O-]	REAL300000362179	0	31	-2.0	-125.65	305.72	6.41	-119.24
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C2)=CO1	REAL300000362180	1	40	-2.0	-134.95	362.57	4.84	-130.11
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=C1C(=O)[O-]	REAL300000362183	1	35	-2.0	-123.41	330.49	2.63	-120.78
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362184	1	35	-2.0	-134.54	315.68	5.08	-129.46
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362185	1	34	-2.0	-131.50	301.68	6.54	-124.96
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362186	0	37	-2.0	-135.12	347.82	4.00	-131.12
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362186	1	36	-3.0	-204.58	344.50	2.88	-201.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C(F)C=C1F	REAL300000362191	0	37	-2.0	-123.65	350.97	6.52	-117.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000362192	0	34	-2.0	-137.58	313.10	6.52	-131.06
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000362193	0	35	-2.0	-124.61	344.81	6.20	-118.41
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1F	REAL300000362194	1	34	-2.0	-124.45	312.91	6.48	-117.97
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])O1	REAL300000362195	0	34	-2.0	-125.28	325.74	4.57	-120.71
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1C(=O)[O-]	REAL300000362196	0	36	-2.0	-150.30	326.13	6.41	-143.89
CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=C1C(=O)[O-]	REAL300000362197	0	37	-2.0	-138.39	352.62	6.45	-131.94
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1C(=O)[O-]	REAL300000362198	0	31	-2.0	-121.35	304.37	5.96	-115.39
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362199	1	43	-2.0	-128.78	373.45	4.63	-124.15
CC1=C(S(=O)(=O)NC2=C(C(=O)[O-])C(C)=CC=C2)C=C(C(=O)[O-])S1	REAL300000362200	0	34	-2.0	-103.64	322.63	5.74	-97.90
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)C=C(C(=O)[O-])S1	REAL300000362200	1	33	-3.0	-199.79	324.35	6.21	-193.58
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1C	REAL300000362201	1	40	-2.0	-135.18	350.54	7.09	-128.09
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362202	0	35	-2.0	-132.21	328.80	5.64	-126.57
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CN=C1Cl	REAL300000362203	0	33	-2.0	-122.12	316.84	4.99	-117.13
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362205	1	40	-2.0	-141.27	363.15	7.21	-134.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)N(C)C	REAL300000362207	1	45	-2.0	-126.54	384.41	5.99	-120.55
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C21	REAL300000362208	1	42	-2.0	-156.72	366.70	6.90	-149.82
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1	REAL300000362209	0	43	-2.0	-130.61	364.29	6.42	-124.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])SC=C1	REAL300000362210	0	31	-2.0	-131.18	294.42	5.60	-125.58
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362211	1	37	-2.0	-128.42	357.71	6.94	-121.48
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1C	REAL300000362212	0	40	-2.0	-130.19	344.69	5.68	-124.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C	REAL300000362213	1	40	-2.0	-126.75	357.01	6.97	-119.78
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000362214	0	36	-2.0	-119.16	330.49	6.96	-112.20
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=C1C(=O)[O-]	REAL300000362216	1	39	-2.0	-146.09	345.77	4.23	-141.86
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)=C1C(=O)[O-]	REAL300000362217	1	40	-2.0	-151.00	371.22	3.98	-147.02
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362218	1	35	-2.0	-124.74	322.46	6.94	-117.80
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1F	REAL300000362219	1	38	-2.0	-142.00	348.19	4.78	-137.22
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000362220	0	36	-2.0	-129.10	335.89	7.03	-122.07
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C3OC(C)CC3=C2)=C1C(=O)[O-]	REAL300000362221	1	39	-2.0	-128.29	359.97	6.90	-121.39
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1C	REAL300000362222	1	41	-2.0	-154.35	360.09	5.51	-148.84
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C21	REAL300000362223	1	45	-2.0	-157.09	378.92	7.34	-149.75
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362224	0	35	-2.0	-133.16	323.82	6.24	-126.92
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362225	1	35	-2.0	-121.59	322.44	6.92	-114.67
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=C1C(=O)[O-]	REAL300000362226	1	40	-2.0	-138.27	354.85	5.85	-132.42
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1OC	REAL300000362227	1	41	-2.0	-129.37	368.29	6.48	-122.89
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C2O1	REAL300000362229	1	36	-2.0	-129.82	329.84	3.44	-126.38
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=C1C(=O)[O-]	REAL300000362230	0	37	-2.0	-128.40	330.94	4.86	-123.54
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1C(=O)[O-]	REAL300000362231	1	36	-2.0	-133.26	327.16	6.16	-127.10
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=N1	REAL300000362232	0	37	-2.0	-131.81	345.57	4.53	-127.28
CC1=CC=CC([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=C1C(=O)[O-]	REAL300000362233	0	37	-2.0	-143.48	330.16	4.21	-139.27
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)C=NN1C1=CC=CC=N1	REAL300000362235	0	40	-2.0	-133.87	360.75	7.02	-126.85
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)=C1C(=O)[O-]	REAL300000362237	0	35	-2.0	-128.50	343.02	7.06	-121.44
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1C(=O)[O-]	REAL300000362238	1	31	-2.0	-114.24	305.18	5.96	-108.28
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=C1C(=O)[O-]	REAL300000362239	1	42	-2.0	-128.74	368.63	7.61	-121.13
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CN1C	REAL300000362241	0	38	-2.0	-134.22	347.36	5.88	-128.34
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362242	1	46	-2.0	-132.45	376.61	8.57	-123.88
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C(=O)[O-]	REAL300000362243	0	33	-3.0	-190.00	327.71	6.90	-183.10
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C(=O)[O-]	REAL300000362243	1	34	-2.0	-98.19	326.09	6.42	-91.77
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C(=O)[O-]	REAL300000362244	0	34	-2.0	-105.11	318.24	6.28	-98.83
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C(=O)[O-]	REAL300000362244	1	33	-3.0	-191.31	319.17	6.37	-184.94
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)=C1C(=O)[O-]	REAL300000362245	1	39	-2.0	-140.88	351.79	5.16	-135.72
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=C1C(=O)[O-]	REAL300000362246	0	38	-2.0	-133.70	351.15	7.05	-126.65
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362247	0	31	-2.0	-129.08	320.38	6.14	-122.94
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)=C1C(=O)[O-]	REAL300000362248	1	31	-2.0	-121.25	313.20	6.44	-114.81
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362249	1	41	-2.0	-141.23	352.55	5.98	-135.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC(C)=C1F	REAL300000362250	1	37	-2.0	-125.73	333.22	7.12	-118.61
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2)=C1C(=O)[O-]	REAL300000362251	1	31	-2.0	-120.68	313.19	6.44	-114.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000362252	0	35	-2.0	-128.81	343.28	6.15	-122.66
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=N1	REAL300000362253	0	42	-2.0	-135.84	373.92	6.54	-129.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=C1C(=O)[O-]	REAL300000362254	0	34	-2.0	-120.94	331.01	3.84	-117.10
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C(=O)[O-]	REAL300000362255	0	30	-3.0	-195.12	306.91	5.46	-189.66
CC1=CC=CC([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=C1C(=O)[O-]	REAL300000362256	0	40	-2.0	-140.04	350.73	7.03	-133.01
CC1=CC=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362257	0	34	-2.0	-98.69	320.65	6.31	-92.38
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362257	1	33	-3.0	-198.86	321.06	6.40	-192.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1F	REAL300000362258	0	36	-3.0	-205.61	340.40	7.03	-198.58
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)=C1C(=O)[O-]	REAL300000362259	1	45	-2.0	-128.27	378.39	7.81	-120.46
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300000362260	0	37	-3.0	-194.80	354.97	6.95	-187.85
COC1=CC(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300000362260	1	38	-2.0	-102.05	353.36	6.48	-95.57
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CN1	REAL300000362261	0	35	-2.0	-130.88	329.59	4.13	-126.75
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(=O)[O-]	REAL300000362262	0	33	-3.0	-194.13	320.12	6.41	-187.72
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(=O)[O-]	REAL300000362262	1	34	-2.0	-109.22	318.03	5.91	-103.31
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C(=O)[O-]	REAL300000362263	0	34	-2.0	-102.85	326.23	6.63	-96.22
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C(=O)[O-]	REAL300000362263	1	33	-3.0	-189.99	327.14	6.74	-183.25
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C)=C1C(=O)[O-]	REAL300000362264	1	34	-2.0	-128.01	306.99	6.57	-121.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1Br	REAL300000362265	1	34	-2.0	-129.28	325.69	6.97	-122.31
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1C	REAL300000362266	1	40	-2.0	-128.87	357.05	6.96	-121.91
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CS1	REAL300000362267	0	34	-2.0	-130.00	333.46	5.45	-124.55
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1F	REAL300000362268	1	37	-2.0	-122.45	345.52	6.45	-116.00
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362269	0	33	-2.0	-128.42	311.42	4.35	-124.07
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])=CC=C1[O-]	REAL300000362271	1	39	-2.0	-108.87	346.99	2.61	-106.26
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1C(=O)[O-]	REAL300000362274	0	37	-2.0	-100.45	341.47	7.09	-93.36
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1C(=O)[O-]	REAL300000362274	1	36	-3.0	-196.22	344.10	7.53	-188.69
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362275	1	37	-2.0	-125.34	340.42	7.54	-117.80
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362276	0	31	-2.0	-124.64	319.41	6.10	-118.54
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362277	1	37	-2.0	-133.89	329.08	7.21	-126.68
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=C1C(=O)[O-]	REAL300000362278	0	34	-2.0	-129.09	341.83	7.71	-121.38
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362279	1	34	-2.0	-128.64	314.01	6.51	-122.13
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000362280	0	42	-2.0	-101.31	377.96	7.66	-93.65
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000362280	1	41	-3.0	-185.89	378.38	7.75	-178.14
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362281	0	37	-2.0	-126.90	344.09	5.23	-121.67
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=C1C(=O)[O-]	REAL300000362282	1	37	-2.0	-126.29	337.58	4.83	-121.46
CC1=CC=CC(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362283	0	34	-2.0	-113.44	324.57	6.33	-107.11
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362283	1	33	-3.0	-195.07	325.48	6.43	-188.64
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362284	0	35	-3.0	-192.46	342.85	7.00	-185.46
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362284	1	36	-2.0	-107.43	341.98	6.91	-100.52
CC1=CC=CC([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=C1C(=O)[O-]	REAL300000362285	0	34	-2.0	-134.22	339.54	7.65	-126.57
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362286	0	41	-2.0	-139.80	369.13	6.23	-133.57
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362287	1	43	-2.0	-133.59	374.09	7.75	-125.84
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C(F)C=C1F	REAL300000362289	0	34	-2.0	-128.32	318.40	6.54	-121.78
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000362290	0	37	-2.0	-141.12	337.94	8.83	-132.29
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000362291	1	37	-2.0	-142.54	327.24	8.09	-134.45
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1C(=O)[O-]	REAL300000362292	0	33	-2.0	-129.72	318.19	5.26	-124.46
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000362293	0	36	-2.0	-124.72	343.56	7.52	-117.20
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000362294	1	35	-2.0	-127.67	341.79	5.98	-121.69
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362295	0	38	-2.0	-130.33	364.05	4.85	-125.48
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2C)=C1C(=O)[O-]	REAL300000362296	1	34	-2.0	-127.24	319.76	7.06	-120.18
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C(=O)[O-]	REAL300000362297	0	34	-3.0	-200.07	324.37	4.05	-196.02
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C(=O)[O-]	REAL300000362297	1	34	-3.0	-184.82	318.71	4.33	-180.49
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1C(=O)[O-]	REAL300000362298	1	41	-2.0	-136.98	341.50	8.40	-128.58
CC1=CC=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000362299	0	37	-2.0	-104.19	336.40	7.03	-97.16
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000362299	1	36	-3.0	-204.75	336.83	7.12	-197.63
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000362300	1	38	-2.0	-131.03	356.95	5.32	-125.71
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])O1	REAL300000362301	0	37	-2.0	-125.65	347.60	5.49	-120.16
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362302	0	33	-2.0	-119.24	320.82	6.52	-112.72
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362303	0	36	-2.0	-139.05	340.52	6.75	-132.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)=C1C(=O)[O-]	REAL300000362304	1	43	-2.0	-130.93	376.90	7.31	-123.62
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362305	1	36	-2.0	-117.73	342.35	7.58	-110.15
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)=C1C(=O)[O-]	REAL300000362306	0	34	-2.0	-141.91	328.96	6.48	-135.43
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])SC=C1	REAL300000362307	0	32	-2.0	-139.08	308.36	4.06	-135.02
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362308	1	40	-2.0	-142.01	368.35	4.20	-137.81
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)OC2=CC=C(F)C=C12	REAL300000362309	0	37	-2.0	-134.88	342.94	6.88	-128.00
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1C(=O)[O-]	REAL300000362310	0	34	-2.0	-135.78	315.95	6.17	-129.61
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=CC=C2C=C1	REAL300000362311	0	39	-2.0	-152.81	347.70	7.01	-145.80
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)C2=CC(Cl)=CC=C2S1	REAL300000362312	0	37	-2.0	-133.16	353.78	8.66	-124.50
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)=C1C(=O)[O-]	REAL300000362313	1	42	-2.0	-126.40	369.49	5.29	-121.11
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)C=C(Br)S1	REAL300000362314	0	31	-2.0	-121.75	317.38	6.26	-115.49
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=C1C(=O)[O-]	REAL300000362315	1	37	-2.0	-132.39	341.60	8.51	-123.88
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC(F)=C1F	REAL300000362316	1	37	-2.0	-116.99	351.81	6.52	-110.47
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)SC2=CC=CC(F)=C12	REAL300000362317	0	37	-2.0	-136.30	343.69	7.98	-128.32
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C#N)=C2)=C1C(=O)[O-]	REAL300000362318	1	32	-2.0	-120.15	328.31	6.78	-113.37
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1F	REAL300000362319	0	36	-2.0	-128.47	340.21	7.15	-121.32
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362320	0	33	-2.0	-136.43	319.44	4.53	-131.90
CC1=NN2C=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C(C)=CC=C3)C=NC2=C1Cl	REAL300000362322	0	36	-2.0	-120.01	347.19	5.74	-114.27
CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)=C1C(=O)[O-]	REAL300000362323	0	31	-2.0	-134.70	305.83	6.71	-127.99
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)=C1C(=O)[O-]	REAL300000362324	1	33	-2.0	-123.23	334.46	5.69	-117.54
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=C1C(=O)[O-]	REAL300000362325	0	31	-2.0	-119.97	301.18	4.72	-115.25
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=C1C(=O)[O-]	REAL300000362326	0	31	-2.0	-134.17	306.37	4.61	-129.56
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362327	1	39	-2.0	-135.85	345.18	4.38	-131.47
CC1=CC=CC(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362328	0	34	-2.0	-114.47	334.46	6.76	-107.71
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362328	1	33	-3.0	-197.13	335.36	6.87	-190.26
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1C(=O)[O-]	REAL300000362329	0	32	-2.0	-138.19	302.04	4.51	-133.68
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])S2)=CS1	REAL300000362330	0	37	-2.0	-131.49	365.65	6.33	-125.16
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=C1C(=O)[O-]	REAL300000362331	0	32	-2.0	-119.98	308.41	3.60	-116.38
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362332	0	30	-2.0	-127.16	294.72	3.60	-123.56
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1Cl	REAL300000362333	1	37	-2.0	-122.97	353.50	6.82	-116.15
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362334	1	36	-2.0	-116.31	334.40	7.23	-109.08
CC1=CC=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C(=O)[O-]	REAL300000362335	0	37	-2.0	-124.07	324.92	6.97	-117.10
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C(=O)[O-]	REAL300000362335	1	36	-3.0	-210.84	324.70	6.96	-203.88
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=C1C(=O)[O-]	REAL300000362337	1	38	-2.0	-151.13	350.80	3.64	-147.49
CC1=CC(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000362338	0	37	-2.0	-104.59	338.92	6.89	-97.70
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000362338	1	36	-3.0	-207.17	339.49	6.99	-200.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(C)=C1C(=O)[O-]	REAL300000362339	0	37	-2.0	-104.07	330.44	7.11	-96.96
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C2F)N=C1	REAL300000362340	1	41	-2.0	-130.70	370.81	7.81	-122.89
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C(C)N1	REAL300000362342	0	44	-2.0	-130.68	382.20	6.45	-124.23
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1F	REAL300000362343	0	34	-2.0	-130.94	318.38	6.55	-124.39
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000362344	0	37	-2.0	-118.86	341.72	6.52	-112.34
CC1=CC(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000362345	0	40	-2.0	-125.74	346.49	7.30	-118.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000362345	1	39	-3.0	-214.44	347.57	7.41	-207.03
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1C(=O)[O-]	REAL300000362346	1	37	-2.0	-142.99	343.93	8.60	-134.39
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C(F)=C2)=C1C(=O)[O-]	REAL300000362347	0	37	-2.0	-132.72	351.28	3.32	-129.40
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362348	0	35	-3.0	-204.46	341.21	7.43	-197.03
CC1=CC=CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362348	1	36	-2.0	-127.99	340.53	7.35	-120.64
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1C(=O)[O-]	REAL300000362349	0	34	-2.0	-128.99	331.52	7.27	-121.72
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1CC	REAL300000362350	1	43	-2.0	-135.14	363.25	8.34	-126.80
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C(=O)[O-]	REAL300000362351	0	33	-3.0	-194.96	326.39	6.46	-188.50
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300000362352	1	36	-2.0	-119.95	339.24	7.10	-112.85
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1C(=O)[O-]	REAL300000362353	0	30	-2.0	-127.08	305.15	5.22	-121.86
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=C1C(=O)[O-]	REAL300000362354	0	37	-2.0	-139.64	331.63	6.16	-133.48
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=N1	REAL300000362355	0	36	-2.0	-121.70	336.93	4.60	-117.10
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1C(=O)[O-]	REAL300000362356	0	30	-2.0	-117.83	311.62	4.95	-112.88
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C(=O)[O-]	REAL300000362357	0	40	-2.0	-129.29	349.21	7.70	-121.59
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C4=C(C=CC=C42)C(=O)N3C)=C1C(=O)[O-]	REAL300000362358	1	42	-2.0	-132.05	371.96	7.70	-124.35
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000362359	0	36	-3.0	-205.29	336.10	6.93	-198.36
CC1=CC(F)=C(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000362359	1	37	-2.0	-113.15	334.45	6.45	-106.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1Cl	REAL300000362360	0	36	-3.0	-202.05	346.44	7.47	-194.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])=C1Cl	REAL300000362360	1	37	-2.0	-102.90	344.80	6.98	-95.92
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362361	0	36	-3.0	-222.16	339.69	7.03	-215.13
CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1C(=O)[O-]	REAL300000362362	0	31	-2.0	-117.67	313.43	6.26	-111.41
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362363	1	39	-2.0	-143.10	349.28	7.05	-136.05
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=N1	REAL300000362364	0	38	-2.0	-125.93	345.95	3.39	-122.54
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000362365	0	36	-2.0	-138.21	336.51	6.60	-131.61
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)=C1C(=O)[O-]	REAL300000362366	0	31	-2.0	-124.11	309.08	6.54	-117.57
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1Br	REAL300000362367	0	34	-2.0	-131.85	320.88	7.05	-124.80
CCC1=CC=C(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000362368	0	40	-2.0	-124.37	348.22	7.43	-116.94
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000362368	1	39	-3.0	-213.04	348.45	7.51	-205.53
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1C(=O)[O-]	REAL300000362369	0	42	-2.0	-128.22	363.34	4.31	-123.91
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1C#N	REAL300000362372	0	35	-2.0	-141.76	323.46	6.57	-135.19
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)=C1C(=O)[O-]	REAL300000362373	0	34	-2.0	-121.95	338.06	7.33	-114.62
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C)=C1C(=O)[O-]	REAL300000362374	0	37	-2.0	-95.35	332.67	5.82	-89.53
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=C1C(=O)[O-]	REAL300000362375	0	40	-2.0	-132.39	359.19	7.42	-124.97
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362376	0	37	-2.0	-142.99	333.68	6.52	-136.47
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1C(=O)[O-]	REAL300000362377	0	39	-2.0	-126.20	344.23	3.53	-122.67
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1F	REAL300000362379	0	34	-2.0	-139.17	312.01	6.49	-132.68
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=N1	REAL300000362380	0	37	-2.0	-124.20	335.22	3.40	-120.80
CC1=CC=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1C(=O)[O-]	REAL300000362381	0	38	-2.0	-147.58	332.14	5.80	-141.78
COC1=CC=C(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000362382	0	41	-2.0	-132.15	364.74	6.38	-125.77
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362383	1	38	-2.0	-133.48	341.26	5.50	-127.98
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362384	0	36	-2.0	-131.07	325.46	2.76	-128.31
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1Cl	REAL300000362385	0	34	-2.0	-133.43	318.06	6.93	-126.50
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C(C)O1	REAL300000362386	0	34	-2.0	-128.14	309.15	5.35	-122.79
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=C1C(=O)[O-]	REAL300000362387	0	37	-2.0	-138.32	332.45	3.44	-134.88
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C2)CC1	REAL300000362389	1	44	-2.0	-131.29	384.52	8.41	-122.88
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362390	0	40	-2.0	-127.43	369.25	7.43	-120.00
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362391	1	38	-2.0	-131.35	332.80	5.80	-125.55
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000362392	0	40	-2.0	-121.43	363.19	6.17	-115.26
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362394	0	34	-2.0	-132.73	318.41	6.14	-126.59
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1C(=O)[O-]	REAL300000362395	1	34	-2.0	-127.16	312.23	4.44	-122.72
CC1=CC=CC([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=C1C(=O)[O-]	REAL300000362396	0	39	-2.0	-150.25	339.82	7.53	-142.72
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1C(=O)[O-]	REAL300000362397	0	37	-2.0	-135.24	335.47	7.78	-127.46
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C2=CC=CC=C12	REAL300000362398	1	44	-2.0	-149.03	380.09	7.10	-141.93
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)=C1C(=O)[O-]	REAL300000362399	0	37	-2.0	-120.69	354.80	3.87	-116.82
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1C(=O)[O-]	REAL300000362400	0	33	-2.0	-115.70	318.93	6.47	-109.23
CC1=CC=CC(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1C(=O)[O-]	REAL300000362401	0	37	-2.0	-102.82	338.09	7.04	-95.78
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1C(=O)[O-]	REAL300000362401	1	36	-3.0	-201.62	340.96	7.50	-194.12
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000362402	1	31	-2.0	-121.74	309.34	6.35	-115.39
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C(C)O1	REAL300000362403	0	37	-2.0	-122.63	344.03	5.33	-117.30
CC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000362404	0	30	-2.0	-121.54	297.94	4.48	-117.06
CC1=CC(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300000362405	0	37	-2.0	-102.35	345.00	7.20	-95.15
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300000362405	1	36	-3.0	-207.03	345.88	7.29	-199.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])N=C1C	REAL300000362406	0	37	-2.0	-142.49	331.80	5.57	-136.92
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362407	0	34	-2.0	-131.07	324.09	7.14	-123.93
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362408	0	34	-2.0	-132.67	320.74	7.01	-125.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000362409	0	37	-3.0	-208.68	342.60	6.54	-202.14
CCN1C=C(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000362409	1	38	-2.0	-121.96	343.77	6.50	-115.46
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362410	0	34	-2.0	-129.57	326.08	4.51	-125.06
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362411	0	43	-2.0	-131.73	365.67	6.33	-125.40
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CN1C	REAL300000362412	0	41	-2.0	-133.83	369.22	6.81	-127.02
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362413	1	39	-2.0	-127.96	345.89	7.71	-120.25
CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1C(=O)[O-]	REAL300000362414	0	31	-2.0	-135.75	302.24	6.57	-129.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(Cl)=N1	REAL300000362415	0	33	-2.0	-130.47	316.09	5.10	-125.37
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362416	0	36	-2.0	-128.48	335.24	5.96	-122.52
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)=C1C(=O)[O-]	REAL300000362417	0	38	-2.0	-131.93	351.09	6.95	-124.98
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000362418	1	35	-2.0	-127.76	341.41	7.25	-120.51
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362419	0	33	-2.0	-126.88	316.21	4.36	-122.52
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C12	REAL300000362420	0	38	-2.0	-119.52	347.42	3.48	-116.04
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)S1	REAL300000362421	0	33	-2.0	-125.05	324.32	6.11	-118.94
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CN=C1Cl	REAL300000362423	0	34	-2.0	-119.88	327.04	3.73	-116.15
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])=CC=C21	REAL300000362424	1	40	-2.0	-127.06	362.11	6.74	-120.32
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)=C1C(=O)[O-]	REAL300000362425	1	43	-2.0	-130.37	370.38	7.24	-123.13
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1C(=O)[O-]	REAL300000362426	0	33	-2.0	-119.11	320.91	5.01	-114.10
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362427	0	37	-2.0	-127.92	347.39	6.50	-121.42
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=C1C(=O)[O-]	REAL300000362428	0	34	-2.0	-128.83	332.79	2.87	-125.96
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1	REAL300000362429	0	46	-2.0	-130.40	385.45	7.27	-123.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(C)=C1F	REAL300000362430	1	38	-2.0	-127.76	335.86	5.91	-121.85
CC1=CC=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1C(=O)[O-]	REAL300000362432	0	34	-2.0	-142.61	314.12	6.09	-136.52
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362433	0	36	-2.0	-127.24	336.15	4.64	-122.60
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1C(=O)[O-]	REAL300000362434	0	28	-2.0	-125.22	290.58	4.50	-120.72
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300000362435	0	40	-2.0	-142.97	366.86	7.35	-135.62
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300000362436	0	40	-2.0	-143.10	359.49	4.89	-138.21
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000362437	1	39	-2.0	-126.18	345.98	7.73	-118.45
CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1C(=O)[O-]	REAL300000362438	0	31	-2.0	-127.74	307.27	6.18	-121.56
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362442	1	43	-2.0	-132.26	378.28	8.13	-124.13
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1C(=O)[O-]	REAL300000362443	0	31	-2.0	-122.64	321.37	6.89	-115.75
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362444	0	31	-2.0	-124.16	315.18	6.00	-118.16
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(OC)=C1	REAL300000362445	0	41	-2.0	-132.69	369.18	6.23	-126.46
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1C(=O)[O-]	REAL300000362446	1	34	-2.0	-138.18	320.35	6.71	-131.47
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1C(=O)[O-]	REAL300000362447	0	34	-2.0	-126.76	330.43	6.84	-119.92
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362448	1	34	-2.0	-128.78	328.90	7.06	-121.72
CC1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1C(=O)[O-]	REAL300000362449	0	34	-2.0	-126.28	324.12	4.67	-121.61
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362450	0	35	-2.0	-137.66	322.28	6.84	-130.82
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=C1C(=O)[O-]	REAL300000362451	1	34	-2.0	-129.29	332.78	2.88	-126.41
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000362453	0	39	-2.0	-121.59	348.61	7.06	-114.53
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(C)=CS1	REAL300000362454	0	37	-2.0	-141.81	340.96	6.96	-134.85
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1F	REAL300000362455	1	35	-2.0	-123.43	321.90	5.15	-118.28
CC1=CC=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1C(=O)[O-]	REAL300000362456	0	30	-2.0	-138.62	298.89	6.18	-132.44
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=C1C(=O)[O-]	REAL300000362457	1	36	-2.0	-125.50	330.54	4.92	-120.58
CC1=CC=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362458	0	30	-2.0	-120.13	307.36	5.54	-114.59
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362460	1	39	-2.0	-131.87	352.59	3.98	-127.89
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000362461	1	34	-2.0	-121.09	341.99	7.31	-113.78
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000362462	0	37	-2.0	-118.75	349.66	6.60	-112.15
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1C(=O)[O-]	REAL300000362463	0	35	-2.0	-137.04	314.33	5.21	-131.83
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=C1C(=O)[O-]	REAL300000362464	0	32	-2.0	-128.07	322.39	3.25	-124.82
CC1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1C(=O)[O-]	REAL300000362465	0	34	-2.0	-125.74	330.15	4.84	-120.90
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362466	1	37	-2.0	-126.65	315.26	7.46	-119.19
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362468	1	34	-2.0	-123.89	322.98	7.15	-116.74
CC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1C(=O)[O-]	REAL300000362469	0	35	-2.0	-147.38	324.58	5.85	-141.53
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1	REAL300000362470	0	44	-2.0	-130.40	376.40	7.24	-123.16
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)=C1C(=O)[O-]	REAL300000362471	0	31	-2.0	-128.85	312.99	6.46	-122.39
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)=C1C(=O)[O-]	REAL300000362472	0	39	-2.0	-150.65	344.07	6.95	-143.70
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)=C1C(=O)[O-]	REAL300000362474	1	35	-2.0	-134.70	337.44	3.07	-131.63
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1C(=O)[O-]	REAL300000362475	0	32	-2.0	-139.23	310.97	4.08	-135.15
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362476	0	34	-2.0	-128.22	310.77	3.25	-124.97
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)=C1C(=O)[O-]	REAL300000362477	0	31	-2.0	-133.83	312.27	6.45	-127.38
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1OC	REAL300000362478	0	41	-2.0	-127.10	368.25	6.49	-120.61
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362480	0	41	-2.0	-141.30	375.15	3.09	-138.21
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-])OCO2	REAL300000362481	1	37	-2.0	-126.60	327.69	5.20	-121.40
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362482	0	37	-2.0	-126.06	336.23	7.02	-119.04
CC1=CC=CC(NS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362483	0	37	-2.0	-116.36	347.66	7.31	-109.05
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362483	1	36	-3.0	-202.93	344.56	7.30	-195.63
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)=C1C(=O)[O-]	REAL300000362484	1	41	-2.0	-131.30	356.38	5.62	-125.68
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=C1C(=O)[O-]	REAL300000362485	0	37	-2.0	-138.06	347.41	7.33	-130.73
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362487	0	34	-2.0	-134.63	331.16	3.26	-131.37
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362487	1	33	-3.0	-203.42	327.86	2.14	-201.28
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1F	REAL300000362488	1	38	-2.0	-130.26	347.89	4.78	-125.48
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1OC	REAL300000362489	0	39	-2.0	-128.10	358.00	5.55	-122.55
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1C(=O)[O-]	REAL300000362490	1	35	-2.0	-126.62	331.67	5.42	-121.20
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=C1C(=O)[O-]	REAL300000362491	1	34	-2.0	-119.11	330.52	6.84	-112.27
CC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362492	0	42	-3.0	-200.68	364.04	8.43	-192.25
CC1=CC=CC(NS(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362492	1	43	-2.0	-129.74	365.90	7.91	-121.83
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)=C1C(=O)[O-]	REAL300000362493	0	36	-2.0	-135.31	342.97	1.39	-133.92
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=C1C(=O)[O-]	REAL300000362494	1	35	-2.0	-136.17	313.34	7.06	-129.11
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C	REAL300000362495	1	42	-2.0	-130.09	377.25	2.87	-127.22
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1C(=O)[O-]	REAL300000362497	0	31	-2.0	-123.88	316.05	6.85	-117.03
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)C(N)=NO1	REAL300000362499	0	32	-2.0	-120.59	293.72	3.14	-117.45
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-])OCC(=O)N2	REAL300000362500	0	41	-2.0	-133.76	365.16	2.80	-130.96
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362501	0	35	-2.0	-133.61	331.18	6.09	-127.52
CC1=CC=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000362502	0	32	-2.0	-125.13	313.69	4.55	-120.58
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362505	1	38	-2.0	-132.78	331.16	5.85	-126.93
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000362507	1	38	-2.0	-125.75	346.76	6.41	-119.34
CC1=CC=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)=C1C(=O)[O-]	REAL300000362508	0	33	-2.0	-121.24	336.06	7.01	-114.23
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)=C1C(=O)[O-]	REAL300000362510	0	33	-2.0	-117.31	332.33	6.89	-110.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=N1	REAL300000362511	0	33	-2.0	-128.77	302.79	4.60	-124.17
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1C(=O)[O-]	REAL300000362512	0	36	-2.0	-132.69	327.37	6.15	-126.54
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000362513	0	37	-3.0	-204.85	354.98	6.96	-197.89
COC1=CC(Cl)=C(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000362513	1	38	-2.0	-107.18	353.38	6.49	-100.69
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000362514	0	37	-2.0	-131.13	346.44	6.50	-124.63
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1F	REAL300000362515	0	37	-2.0	-124.36	345.50	6.46	-117.90
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362516	0	39	-2.0	-139.13	362.34	7.62	-131.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1C#N	REAL300000362517	1	35	-2.0	-122.48	326.15	6.67	-115.81
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1C(=O)[O-]	REAL300000362518	0	30	-2.0	-115.25	303.93	4.45	-110.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000362519	0	35	-2.0	-134.68	321.18	5.14	-129.54
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1C(=O)[O-]	REAL300000362520	1	37	-2.0	-130.79	347.21	7.57	-123.22
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1C(=O)[O-]	REAL300000362522	1	34	-2.0	-129.41	320.36	6.71	-122.70
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1C(=O)[O-]	REAL300000362523	1	41	-2.0	-138.50	360.39	9.19	-129.31
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)N(C)N=C1	REAL300000362525	0	34	-2.0	-124.11	303.06	4.24	-119.87
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362526	0	40	-2.0	-135.63	368.32	7.41	-128.22
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CN1C	REAL300000362527	0	43	-2.0	-131.10	388.20	6.99	-124.11
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C(F)C=C1C	REAL300000362530	0	43	-2.0	-131.52	384.37	7.95	-123.57
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362531	1	45	-2.0	-143.18	397.73	3.97	-139.21
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362532	0	42	-2.0	-142.01	369.52	5.29	-136.72
CC1=CC(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000362533	0	37	-2.0	-106.41	329.51	6.76	-99.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000362533	1	36	-3.0	-193.45	330.72	6.88	-186.57
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=N1	REAL300000362534	0	34	-2.0	-124.06	313.37	2.47	-121.59
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1C(=O)[O-]	REAL300000362535	0	31	-2.0	-130.90	308.42	6.36	-124.54
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362537	0	42	-2.0	-127.04	364.23	7.06	-119.98
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362538	0	40	-2.0	-133.42	363.72	8.55	-124.87
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)=C1C(=O)[O-]	REAL300000362539	0	40	-2.0	-132.62	359.55	8.26	-124.36
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000362540	0	34	-2.0	-127.60	328.81	7.67	-119.93
CC1=CC=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C1C(=O)[O-]	REAL300000362541	0	34	-2.0	-134.68	322.69	7.14	-127.54
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362542	1	43	-2.0	-137.15	385.00	8.13	-129.02
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362543	0	44	-2.0	-139.26	390.99	7.15	-132.11
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1C	REAL300000362544	1	43	-2.0	-129.65	378.60	7.88	-121.77
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=C1C(=O)[O-]	REAL300000362545	0	42	-2.0	-147.19	363.92	6.99	-140.20
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)=C1C(=O)[O-]	REAL300000362546	1	35	-2.0	-117.58	342.89	6.95	-110.63
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1C(=O)[O-]	REAL300000362547	0	34	-2.0	-136.37	312.80	4.40	-131.97
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2C#N)=C1C(=O)[O-]	REAL300000362548	0	32	-2.0	-135.95	324.00	6.57	-129.38
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362549	1	37	-2.0	-121.94	340.75	7.56	-114.38
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362550	1	38	-2.0	-135.01	337.54	6.00	-129.01
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1C(=O)[O-]	REAL300000362551	0	31	-2.0	-131.53	308.52	6.64	-124.89
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362552	1	37	-2.0	-159.19	330.59	3.36	-155.83
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C2C=C1	REAL300000362553	1	40	-2.0	-136.37	353.49	8.71	-127.66
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1C(=O)[O-]	REAL300000362554	0	28	-2.0	-128.37	294.17	5.23	-123.14
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362555	1	40	-2.0	-126.05	370.43	7.61	-118.44
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362556	0	31	-2.0	-130.03	299.76	5.44	-124.59
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)C)C=C2)=C1C(=O)[O-]	REAL300000362557	1	44	-2.0	-136.05	381.43	6.12	-129.93
CC1=CC=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1C(=O)[O-]	REAL300000362558	0	28	-2.0	-125.41	284.49	2.58	-122.83
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=C1C(=O)[O-]	REAL300000362559	0	36	-2.0	-140.25	340.71	6.84	-133.41
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1C(=O)[O-]	REAL300000362560	0	30	-2.0	-126.18	293.09	3.89	-122.29
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362561	1	38	-2.0	-127.26	354.75	6.09	-121.17
CC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=C1C(=O)[O-]	REAL300000362562	0	40	-2.0	-126.33	351.35	4.88	-121.45
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=C1C(=O)[O-]	REAL300000362563	0	40	-2.0	-125.16	355.36	4.33	-120.83
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000362564	0	38	-3.0	-199.11	357.91	8.53	-190.58
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1C(=O)[O-]	REAL300000362567	0	34	-2.0	-128.72	322.37	6.24	-122.48
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1C(=O)[O-]	REAL300000362568	0	34	-2.0	-134.89	337.48	7.83	-127.06
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362569	0	30	-2.0	-123.15	294.69	4.07	-119.08
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000362570	0	33	-2.0	-127.12	327.30	7.73	-119.39
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=C1C(=O)[O-]	REAL300000362572	0	35	-2.0	-123.37	335.03	4.48	-118.89
CC1=CC=CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1C(=O)[O-]	REAL300000362572	1	35	-2.0	-110.39	329.36	4.72	-105.67
CC1=CC=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000362573	0	37	-2.0	-125.42	342.24	7.16	-118.26
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)=C1C(=O)[O-]	REAL300000362574	0	33	-2.0	-120.79	334.99	5.57	-115.22
CC1=CC=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1C(=O)[O-]	REAL300000362575	1	35	-2.0	-160.41	317.35	3.04	-157.37
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1C(=O)[O-]	REAL300000362576	1	38	-2.0	-132.43	335.41	7.87	-124.56
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362577	1	40	-2.0	-127.95	379.57	7.87	-120.08
CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1C(=O)[O-]	REAL300000362578	0	28	-2.0	-130.12	284.47	4.81	-125.31
CC1=CC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])C(C)=CC=C3)=CC=C2NC1=O	REAL300000362579	1	40	-2.0	-126.27	357.26	5.51	-120.76
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1C(=O)[O-]	REAL300000362580	0	37	-2.0	-144.98	347.02	4.20	-140.78
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000362581	0	34	-2.0	-131.00	324.83	4.63	-126.37
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1C(=O)[O-]	REAL300000362582	1	40	-2.0	-130.97	351.02	7.37	-123.60
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300000362587	0	36	-2.0	-123.48	338.54	7.15	-116.33
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C)=C1C(=O)[O-]	REAL300000362588	0	37	-2.0	-105.99	332.12	6.69	-99.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1C(=O)[O-]	REAL300000362589	0	32	-2.0	-130.35	319.08	5.07	-125.28
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000362590	0	35	-3.0	-225.31	338.38	8.19	-217.12
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)=C1C(=O)[O-]	REAL300000362591	0	35	-2.0	-132.77	337.48	5.64	-127.13
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])=CC=C2N=C1Cl	REAL300000362592	1	39	-2.0	-127.46	362.67	7.17	-120.29
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C(F)C=C1C	REAL300000362594	0	40	-2.0	-131.07	362.48	7.04	-124.03
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1C(=O)[O-]	REAL300000362595	0	31	-2.0	-121.18	318.77	5.97	-115.21
CC1=CC=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1C(=O)[O-]	REAL300000362596	0	36	-2.0	-136.22	323.19	2.68	-133.54
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362597	0	34	-2.0	-132.83	316.31	6.40	-126.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CN=C1C	REAL300000362598	0	39	-2.0	-122.81	352.48	5.13	-117.68
CC1=CC=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362599	0	32	-2.0	-118.69	309.57	4.64	-114.05
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362600	1	43	-2.0	-130.31	389.87	4.98	-125.33
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)=C1C(=O)[O-]	REAL300000362601	0	33	-2.0	-120.82	313.75	5.15	-115.67
CC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)=C(Br)N1C	REAL300000362602	0	34	-2.0	-143.40	327.91	5.16	-138.24
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300000362603	1	37	-2.0	-123.63	340.61	7.28	-116.35
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362604	1	40	-2.0	-137.51	363.14	7.21	-130.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1C(=O)[O-]	REAL300000362605	1	33	-2.0	-119.66	325.93	5.65	-114.01
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)C=NN1C	REAL300000362609	0	34	-2.0	-126.54	306.86	4.01	-122.53
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362610	1	35	-2.0	-132.84	317.26	6.86	-125.98
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362611	1	44	-2.0	-145.87	379.11	6.61	-139.26
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1	REAL300000362612	0	34	-2.0	-128.92	309.58	4.13	-124.79
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362613	1	38	-2.0	-128.63	357.99	6.01	-122.62
CC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=C1C(=O)[O-]	REAL300000362614	0	31	-2.0	-130.68	301.89	-0.62	-131.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300000362615	1	46	-2.0	-130.28	399.16	8.60	-121.68
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=C1C(=O)[O-]	REAL300000362617	1	36	-2.0	-128.01	332.62	2.98	-125.03
CC1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000362618	0	31	-2.0	-127.09	301.84	3.31	-123.78
CC1=CC=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000362619	0	37	-2.0	-126.98	332.48	5.70	-121.28
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362620	1	44	-2.0	-130.79	396.04	6.14	-124.65
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C(N(C)C)C=CC=C23)=C1C(=O)[O-]	REAL300000362621	1	45	-2.0	-138.39	380.66	7.94	-130.45
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)=C1C(=O)[O-]	REAL300000362623	1	33	-2.0	-128.73	334.35	5.69	-123.04
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000362624	0	39	-2.0	-132.92	359.94	5.44	-127.48
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1C(=O)[O-]	REAL300000362625	0	39	-2.0	-120.49	357.33	4.34	-116.15
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1C(=O)[O-]	REAL300000362626	1	38	-2.0	-137.61	342.19	5.52	-132.09
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362627	1	44	-2.0	-131.61	382.21	7.04	-124.57
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1Cl	REAL300000362628	1	35	-2.0	-124.48	331.71	5.63	-118.85
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)=C1C(=O)[O-]	REAL300000362629	0	35	-2.0	-139.50	337.77	2.42	-137.08
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C(=O)[O-]	REAL300000362630	0	33	-3.0	-220.71	318.29	6.36	-214.35
CC1=CC=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1C(=O)[O-]	REAL300000362631	0	28	-2.0	-137.56	286.65	3.72	-133.84
CC1=CC=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1C(=O)[O-]	REAL300000362632	0	33	-2.0	-143.72	317.39	5.20	-138.52
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1C(=O)[O-]	REAL300000362633	1	36	-2.0	-135.61	321.99	5.61	-130.00
CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1C(=O)[O-]	REAL300000362635	0	37	-2.0	-143.27	336.71	8.09	-135.18
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1C(=O)[O-]	REAL300000362636	0	34	-2.0	-136.94	326.34	4.85	-132.09
CC1=CC=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)=C1C(=O)[O-]	REAL300000362637	0	34	-2.0	-130.90	312.97	7.26	-123.64
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1C(=O)[O-]	REAL300000362638	0	35	-2.0	-127.25	330.61	5.90	-121.35
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1C(=O)[O-]	REAL300000362639	0	36	-2.0	-143.82	322.50	5.59	-138.23
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1F	REAL300000362640	1	40	-2.0	-132.63	368.60	7.27	-125.36
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)C2=CC=CC(C)=C2S1	REAL300000362641	0	40	-2.0	-134.91	355.60	8.79	-126.12
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)=C1C(=O)[O-]	REAL300000362642	0	35	-2.0	-127.65	340.94	6.35	-121.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000362648	0	34	-2.0	-139.40	316.10	6.72	-132.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300000362649	1	45	-2.0	-134.97	394.38	8.84	-126.13
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1C(=O)[O-]	REAL300000362650	0	30	-2.0	-121.80	311.23	4.97	-116.83
CC1=CC=CC([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)=C1C(=O)[O-]	REAL300000362651	0	31	-2.0	-122.39	309.76	3.93	-118.46
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=C1C(=O)[O-]	REAL300000362652	1	36	-2.0	-130.34	330.05	4.23	-126.11
CC1=CC=CC([N-]S(=O)(=O)N=S(C)(=O)C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000362653	1	38	-2.0	-152.67	341.35	4.48	-148.19
CC1=CC=CC(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362654	0	37	-2.0	-114.86	338.88	6.91	-107.95
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362654	1	36	-3.0	-200.76	335.86	6.91	-193.85
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362656	0	35	-2.0	-133.59	320.86	5.63	-127.96
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=C1C(=O)[O-]	REAL300000362657	1	34	-2.0	-119.76	325.81	4.88	-114.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000362658	1	39	-2.0	-129.64	348.14	7.58	-122.06
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362659	0	47	-2.0	-141.31	390.63	7.89	-133.42
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000362661	0	34	-2.0	-120.47	329.44	3.01	-117.46
CC1=CC=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000362662	1	35	-2.0	-126.56	336.27	3.93	-122.63
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1Cl	REAL300000362663	1	34	-2.0	-125.73	321.66	6.87	-118.86
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1C(=O)[O-]	REAL300000362664	1	37	-2.0	-141.86	334.29	6.76	-135.10
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C2)=N1	REAL300000362665	1	40	-2.0	-130.51	372.43	7.25	-123.26
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362666	0	40	-2.0	-137.80	366.75	7.13	-130.67
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000362667	0	33	-2.0	-139.20	320.78	6.97	-132.23
CC1=CC=CC([N-]S(=O)(=O)N=S(C)(=O)N(C)C)=C1C(=O)[O-]	REAL300000362668	1	36	-2.0	-150.90	325.42	1.60	-149.30
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000362669	0	33	-2.0	-118.97	324.69	5.77	-113.20
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1C(=O)[O-]	REAL300000362670	1	34	-2.0	-124.30	328.18	3.97	-120.33
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1C(=O)[O-]	REAL300000362671	0	30	-2.0	-135.21	286.70	3.96	-131.25
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1C(=O)[O-]	REAL300000362674	0	30	-2.0	-119.50	287.60	3.93	-115.57
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=C1C(=O)[O-]	REAL300000362676	0	33	-2.0	-129.91	336.78	5.75	-124.16
CC1=CC=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=C1C(=O)[O-]	REAL300000362677	0	29	-2.0	-134.85	296.59	5.17	-129.68
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1C(=O)[O-]	REAL300000362680	1	31	-2.0	-121.15	308.78	6.35	-114.80
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1C(=O)[O-]	REAL300000362681	0	40	-2.0	-142.15	347.89	6.13	-136.02
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=C1C(=O)[O-]	REAL300000362682	1	38	-2.0	-135.39	351.29	3.64	-131.75
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1C(=O)[O-]	REAL300000362683	0	39	-2.0	-142.58	338.38	6.98	-135.60
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1	REAL300000362684	0	41	-2.0	-132.23	359.67	4.75	-127.48
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000362685	0	40	-2.0	-130.58	368.31	7.43	-123.15
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])S2)C1	REAL300000362690	0	42	-2.0	-130.82	377.43	6.30	-124.52
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362691	1	46	-2.0	-139.33	396.05	8.12	-131.21
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362693	1	38	-2.0	-143.12	342.12	3.21	-139.91
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)=C1C(=O)[O-]	REAL300000362694	1	34	-2.0	-135.46	314.59	2.48	-132.98
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)=C1C(=O)[O-]	REAL300000362696	1	43	-2.0	-130.79	370.43	7.20	-123.59
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])=C2)=N1	REAL300000362697	1	43	-2.0	-132.48	379.26	5.67	-126.81
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C	REAL300000362698	1	42	-2.0	-135.47	371.87	4.96	-130.51
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362699	0	36	-2.0	-114.00	342.35	7.59	-106.41
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000362700	1	39	-2.0	-126.07	368.06	4.67	-121.40
CC1=CC=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)=C1C(=O)[O-]	REAL300000362703	0	38	-2.0	-142.31	352.70	7.57	-134.74
COC(=O)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=CC=C12	REAL300000362704	1	43	-2.0	-132.99	377.10	8.58	-124.41
CC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)N1C	REAL300000362705	0	34	-2.0	-128.94	305.58	4.75	-124.19
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1F	REAL300000362706	0	37	-2.0	-134.17	351.02	6.52	-127.65
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362707	1	44	-2.0	-135.70	376.15	7.44	-128.26
CC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=C1C(=O)[O-]	REAL300000362710	0	44	-2.0	-128.51	387.17	8.11	-120.40
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1F	REAL300000362711	0	36	-2.0	-136.69	333.99	7.89	-128.80
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CN1CC1CC1	REAL300000362712	0	44	-2.0	-147.51	385.06	7.71	-139.80
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])O1	REAL300000362713	0	37	-2.0	-126.50	343.63	5.16	-121.34
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C2C1	REAL300000362714	1	42	-2.0	-137.66	369.97	6.28	-131.38
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1C(=O)[O-]	REAL300000362715	0	34	-2.0	-128.49	325.94	5.28	-123.21
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)=C1C(=O)[O-]	REAL300000362717	1	39	-2.0	-127.96	350.26	8.09	-119.87
CC1=CC=CC(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362718	0	40	-2.0	-110.47	354.91	8.36	-102.11
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362718	1	39	-3.0	-221.13	355.40	8.45	-212.68
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=C1C(=O)[O-]	REAL300000362719	0	34	-2.0	-116.64	327.80	4.40	-112.24
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)=C1C(=O)[O-]	REAL300000362720	1	42	-2.0	-132.98	386.34	9.86	-123.12
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1C(=O)[O-]	REAL300000362721	0	30	-2.0	-127.25	303.55	4.38	-122.87
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1C(=O)[O-]	REAL300000362722	1	41	-2.0	-146.46	352.29	9.17	-137.29
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(F)=C1F	REAL300000362724	0	34	-2.0	-136.34	318.28	6.55	-129.79
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)=C1C(=O)[O-]	REAL300000362725	0	30	-2.0	-127.67	308.14	4.46	-123.21
CC1=CC=CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000362727	0	33	-2.0	-144.43	314.55	4.67	-139.76
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(C)=N1	REAL300000362728	0	43	-2.0	-128.71	374.11	6.53	-122.18
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C(OC)C=C1F	REAL300000362729	0	41	-2.0	-127.37	373.66	6.25	-121.12
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C(=O)[O-]	REAL300000362731	0	32	-3.0	-207.91	310.87	4.46	-203.45
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362732	0	35	-2.0	-126.36	318.61	5.89	-120.47
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=C1C(=O)[O-]	REAL300000362734	1	43	-2.0	-129.04	364.41	8.03	-121.01
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=C1C(=O)[O-]	REAL300000362735	1	32	-2.0	-120.06	313.42	6.24	-113.82
CC1=CC=CC([N-]S(=O)(=O)N=S(C)(=O)C2=CC=CC=C2F)=C1C(=O)[O-]	REAL300000362736	1	38	-2.0	-154.64	355.03	4.69	-149.95
CC1=CC=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=C1C(=O)[O-]	REAL300000362737	0	34	-2.0	-124.23	319.34	4.41	-119.82
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1C(=O)[O-]	REAL300000362738	0	33	-2.0	-143.29	309.36	4.96	-138.33
CC1=CC=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1C(=O)[O-]	REAL300000362738	1	33	-2.0	-129.93	309.46	4.82	-125.11
CC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1C(=O)[O-]	REAL300000362739	0	35	-2.0	-141.26	319.93	5.74	-135.52
CC1=CC=CC([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=C1C(=O)[O-]	REAL300000362740	0	41	-2.0	-129.56	347.19	5.90	-123.66
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=C1C(=O)[O-]	REAL300000362741	0	43	-2.0	-127.17	354.38	6.37	-120.80
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1C(=O)[O-]	REAL300000362743	0	41	-2.0	-129.54	353.59	6.12	-123.42
CC1=CC=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)=C1C(=O)[O-]	REAL300000362744	0	34	-2.0	-121.51	320.48	4.68	-116.83
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=C2Br)=C1C(=O)[O-]	REAL300000362745	0	31	-2.0	-127.79	311.39	3.98	-123.81
CC1=CC=CC([N-]S(=O)(=O)N=S(C)(=O)C2CCCCC2)=C1C(=O)[O-]	REAL300000362748	1	44	-2.0	-158.59	373.82	5.17	-153.42
CC1=CC=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1C(=O)[O-]	REAL300000362749	0	32	-2.0	-111.92	296.71	3.78	-108.14
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1C(=O)[O-]	REAL300000362749	1	32	-2.0	-124.51	302.38	3.54	-120.97
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362750	1	41	-2.0	-132.12	363.40	8.55	-123.57
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362751	0	37	-2.0	-127.20	329.04	4.94	-122.26
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1F	REAL300000362752	0	36	-2.0	-129.92	331.98	6.26	-123.66
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C1C(=O)[O-]	REAL300000362753	0	31	-2.0	-117.66	284.38	3.13	-114.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(C#N)=C1	REAL300000362754	0	35	-2.0	-139.04	325.70	6.72	-132.32
CC1=CC=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)=C1C(=O)[O-]	REAL300000362755	0	35	-2.0	-135.52	317.17	7.00	-128.52
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1C(=O)[O-]	REAL300000362756	1	34	-2.0	-126.05	325.40	6.73	-119.32
CC1=CC=CC([N-]S(=O)(=O)N=S(=O)(C2=CC=CC=C2)N(C)C)=C1C(=O)[O-]	REAL300000362757	1	43	-2.0	-157.97	383.51	5.18	-152.79
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=C1C(=O)[O-]	REAL300000362760	1	38	-2.0	-133.03	349.94	7.73	-125.30
CC1=CC=CC([N-]S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)=C1C(=O)[O-]	REAL300000362761	1	37	-2.0	-124.80	333.04	7.95	-116.85
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362762	0	31	-2.0	-120.16	305.44	1.57	-118.59
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362763	0	45	-2.0	-136.19	388.02	5.47	-130.72
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362767	0	37	-3.0	-197.83	342.86	6.13	-191.70
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(C)=C1C(=O)[O-]	REAL300000362767	1	38	-2.0	-114.71	339.99	6.04	-108.67
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)C=C(C(N)=O)O1	REAL300000362768	0	35	-2.0	-126.02	325.70	1.38	-124.64
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362769	1	40	-2.0	-126.14	335.09	8.18	-117.96
CC1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1C(=O)[O-]	REAL300000362770	0	31	-2.0	-135.16	300.91	5.90	-129.26
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362772	0	30	-3.0	-190.81	314.76	5.32	-185.49
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1	REAL300000362773	0	47	-2.0	-130.97	404.22	8.68	-122.29
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1C(=O)[O-]	REAL300000362774	1	36	-2.0	-143.20	322.44	6.27	-136.93
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362775	0	38	-2.0	-132.51	347.61	5.97	-126.54
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C1C(=O)[O-]	REAL300000362776	0	32	-2.0	-134.60	312.04	6.19	-128.41
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362777	0	34	-2.0	-121.17	340.76	5.05	-116.12
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC(C)(C)C3=C2)=C1C(=O)[O-]	REAL300000362778	1	45	-2.0	-128.97	381.75	5.86	-123.11
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C21	REAL300000362779	1	45	-2.0	-156.92	387.02	7.71	-149.21
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1C(=O)[O-]	REAL300000362780	0	38	-2.0	-129.16	336.09	5.45	-123.71
CC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1C(=O)[O-]	REAL300000362781	0	38	-2.0	-127.09	331.42	5.77	-121.32
CC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1C(=O)[O-]	REAL300000362782	0	41	-2.0	-128.25	355.45	6.36	-121.89
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C2=CC=CC=C12	REAL300000362783	0	43	-2.0	-132.91	376.79	8.59	-124.32
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362784	0	44	-2.0	-141.64	390.99	7.14	-134.50
CC1=CC=CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1C(=O)[O-]	REAL300000362785	0	32	-2.0	-103.28	322.84	5.32	-97.96
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1C(=O)[O-]	REAL300000362785	1	31	-3.0	-225.87	325.16	5.38	-220.49
CC1=CC=CC([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)=C1C(=O)[O-]	REAL300000362786	0	36	-2.0	-137.00	337.85	4.80	-132.20
CC1=CC=CC([N-]S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)=C1C(=O)[O-]	REAL300000362786	1	35	-3.0	-233.50	334.62	5.73	-227.77
CC1=CC=CC([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=C1C(=O)[O-]	REAL300000362787	0	42	-2.0	-136.85	361.24	3.77	-133.08
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1C(=O)[O-]	REAL300000362788	0	37	-2.0	-131.59	353.03	6.68	-124.91
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=C1C(=O)[O-]	REAL300000362789	1	37	-2.0	-128.50	336.90	3.00	-125.50
CC1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1C(=O)[O-]	REAL300000362790	0	28	-2.0	-129.77	290.30	4.36	-125.41
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1F	REAL300000362791	1	35	-2.0	-120.08	332.06	5.32	-114.76
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1C(=O)[O-]	REAL300000362792	0	38	-2.0	-135.22	330.57	5.80	-129.42
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1F	REAL300000362793	0	35	-2.0	-128.21	327.39	5.21	-123.00
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)=C1C(=O)[O-]	REAL300000362795	0	41	-2.0	-136.29	360.54	7.17	-129.12
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1	REAL300000362796	0	34	-2.0	-127.50	308.64	6.45	-121.05
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=C1C(=O)[O-]	REAL300000362797	0	39	-2.0	-145.17	343.50	6.35	-138.82
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=C1C(=O)[O-]	REAL300000362798	0	39	-2.0	-128.83	354.87	5.44	-123.39
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=C1C(=O)[O-]	REAL300000362799	1	39	-2.0	-132.11	354.38	7.99	-124.12
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362800	0	35	-2.0	-135.39	322.66	6.43	-128.96
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=C1C(=O)[O-]	REAL300000362801	0	37	-2.0	-137.56	339.89	6.38	-131.18
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C21	REAL300000362802	1	45	-2.0	-155.98	385.83	7.41	-148.57
CC1=CC=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1C(=O)[O-]	REAL300000362803	0	28	-2.0	-127.53	291.62	5.21	-122.32
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Br)=NN2C)=C1C(=O)[O-]	REAL300000362804	0	31	-2.0	-118.75	308.14	3.89	-114.86
CC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000362805	0	33	-2.0	-120.30	320.08	4.93	-115.37
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1	REAL300000362806	0	36	-2.0	-147.65	327.91	5.37	-142.28
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362807	0	33	-2.0	-117.72	301.42	3.11	-114.61
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1C(=O)[O-]	REAL300000362809	1	32	-2.0	-118.89	301.07	4.56	-114.33
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1C(=O)[O-]	REAL300000362810	0	34	-2.0	-135.01	325.03	7.21	-127.80
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1C(=O)[O-]	REAL300000362811	0	34	-2.0	-146.15	331.10	5.48	-140.67
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=C1C(=O)[O-]	REAL300000362812	0	38	-2.0	-125.48	338.13	5.50	-119.98
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(C)=C1F	REAL300000362813	1	40	-2.0	-129.20	342.06	8.14	-121.06
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1OC	REAL300000362814	0	39	-2.0	-132.37	341.59	5.67	-126.70
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=C1C(=O)[O-]	REAL300000362815	1	40	-2.0	-134.41	354.50	3.00	-131.41
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C#N)=C2)=C1C(=O)[O-]	REAL300000362816	1	32	-2.0	-119.22	326.66	6.68	-112.54
CC1=CC=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1C(=O)[O-]	REAL300000362817	0	34	-2.0	-135.53	315.96	6.06	-129.47
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1OC	REAL300000362818	0	39	-2.0	-141.76	345.65	6.10	-135.66
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)=C1C(=O)[O-]	REAL300000362819	0	44	-2.0	-135.25	375.00	6.67	-128.58
CC1=CC=CC([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000362820	0	35	-2.0	-135.94	337.06	7.71	-128.23
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=C1C(=O)[O-]	REAL300000362821	0	38	-2.0	-131.84	341.46	5.71	-126.13
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1C(=O)[O-]	REAL300000362822	1	35	-2.0	-131.01	325.42	5.36	-125.65
CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1C(=O)[O-]	REAL300000362823	0	34	-2.0	-140.49	315.63	4.99	-135.50
CC1=CC=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=C1C(=O)[O-]	REAL300000362824	0	36	-2.0	-152.51	330.74	4.17	-148.34
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1Br	REAL300000362825	1	37	-2.0	-127.76	341.17	7.72	-120.04
CC1=CC=CC([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=C1C(=O)[O-]	REAL300000362826	0	38	-2.0	-131.49	326.65	7.72	-123.77
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CN=C1N	REAL300000362827	1	35	-2.0	-130.90	314.20	3.49	-127.41
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362828	0	31	-2.0	-128.29	303.48	1.64	-126.65
CC1=CC=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1C(=O)[O-]	REAL300000362831	0	34	-2.0	-128.94	319.91	6.16	-122.78
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=C1C(=O)[O-]	REAL300000362832	0	41	-2.0	-133.93	357.70	6.18	-127.75
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)=C1C(=O)[O-]	REAL300000362833	1	49	-2.0	-135.98	400.43	9.69	-126.29
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1C(=O)[O-]	REAL300000362834	0	28	-2.0	-126.86	292.02	5.31	-121.55
CC1=CC=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1C(=O)[O-]	REAL300000362835	0	41	-2.0	-129.92	360.16	6.42	-123.50
CC1=CC=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1C(=O)[O-]	REAL300000362836	0	35	-2.0	-136.81	323.21	6.96	-129.85
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)=C1C(=O)[O-]	REAL300000362837	0	42	-2.0	-137.71	384.71	8.59	-129.12
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)=C1C(=O)[O-]	REAL300000362838	1	44	-2.0	-140.81	375.98	4.18	-136.63
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000362839	0	40	-2.0	-159.44	351.60	6.99	-152.45
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362840	1	40	-2.0	-134.20	350.57	7.99	-126.21
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362841	0	37	-2.0	-122.50	342.47	4.11	-118.39
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=C1C(=O)[O-]	REAL300000362842	0	32	-2.0	-132.73	310.69	6.12	-126.61
CC1=CC=CC([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=C1C(=O)[O-]	REAL300000362843	0	38	-2.0	-129.89	331.90	5.30	-124.59
CC1=CC=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362844	0	35	-2.0	-116.00	342.64	7.12	-108.88
COC(=O)C1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C2C=C1	REAL300000362846	1	43	-2.0	-131.20	386.87	8.68	-122.52
CC1=CC=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C)=C1C(=O)[O-]	REAL300000362847	1	37	-2.0	-126.89	309.20	7.44	-119.45
CC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=C1C(=O)[O-]	REAL300000362848	0	40	-2.0	-122.99	332.99	5.67	-117.32
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=C1C(=O)[O-]	REAL300000362849	0	40	-2.0	-129.56	350.68	5.49	-124.07
CC1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1C(=O)[O-]	REAL300000362850	0	38	-2.0	-130.04	334.77	4.87	-125.17
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CN=C1C(F)(F)F	REAL300000362851	0	36	-2.0	-120.15	337.11	5.59	-114.56
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=C1C(=O)[O-]	REAL300000362852	0	42	-2.0	-129.35	360.46	6.59	-122.76
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000362853	0	33	-2.0	-112.35	325.22	6.52	-105.83
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000362854	1	34	-2.0	-120.63	331.66	6.85	-113.78
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1C(=O)[O-]	REAL300000362855	1	34	-2.0	-132.54	314.18	6.60	-125.94
CC1=CC=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1C(=O)[O-]	REAL300000362856	0	31	-2.0	-128.82	307.73	6.15	-122.67
CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000362857	0	31	-2.0	-121.42	317.92	5.88	-115.54
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362858	0	34	-2.0	-124.22	308.37	3.99	-120.23
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)=C1C(=O)[O-]	REAL300000362860	1	34	-2.0	-119.41	338.09	7.20	-112.21
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1C	REAL300000362861	1	37	-2.0	-132.75	318.69	7.08	-125.67
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1C(=O)[O-]	REAL300000362862	0	34	-2.0	-132.81	308.02	6.94	-125.87
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362863	1	42	-2.0	-142.39	370.76	7.81	-134.58
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)=C1C(=O)[O-]	REAL300000362865	1	41	-2.0	-134.60	366.43	7.46	-127.14
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)=C1C(=O)[O-]	REAL300000362867	0	36	-2.0	-130.72	347.22	2.75	-127.97
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362868	1	40	-2.0	-131.32	364.62	7.41	-123.91
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=C1C(=O)[O-]	REAL300000362869	0	32	-2.0	-129.43	318.84	6.62	-122.81
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)=C1C(=O)[O-]	REAL300000362870	0	40	-2.0	-139.70	360.31	5.75	-133.95
CC1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000362871	0	31	-2.0	-129.91	306.21	6.01	-123.90
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1C(=O)[O-]	REAL300000362872	1	38	-2.0	-134.39	335.41	7.88	-126.51
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=CS1	REAL300000362873	0	32	-2.0	-134.68	308.45	4.22	-130.46
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000362874	0	34	-2.0	-127.34	318.48	7.22	-120.12
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362875	0	37	-2.0	-125.99	351.17	6.09	-119.90
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1C(=O)[O-]	REAL300000362876	0	38	-2.0	-136.87	340.91	7.95	-128.92
CC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1C(=O)[O-]	REAL300000362877	0	41	-2.0	-127.74	350.96	6.40	-121.34
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362878	0	40	-2.0	-126.23	346.13	5.69	-120.54
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362879	1	40	-2.0	-137.11	356.63	3.32	-133.79
CC1=CC=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)=C1C(=O)[O-]	REAL300000362881	0	34	-2.0	-139.71	340.13	2.27	-137.44
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=C1C(=O)[O-]	REAL300000362882	0	36	-2.0	-142.96	329.80	4.13	-138.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])O1	REAL300000362883	0	34	-2.0	-131.71	312.28	5.37	-126.34
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1C(=O)[O-]	REAL300000362884	0	31	-2.0	-123.23	310.05	5.00	-118.23
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362885	0	35	-2.0	-124.97	327.15	5.68	-119.29
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)=C1C(=O)[O-]	REAL300000362886	0	45	-2.0	-131.51	384.53	4.92	-126.59
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=C1C(=O)[O-]	REAL300000362887	1	37	-2.0	-132.63	339.40	7.31	-125.32
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1C(=O)[O-]	REAL300000362888	1	35	-2.0	-131.25	325.44	5.36	-125.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362890	0	32	-2.0	-127.62	309.99	4.23	-123.39
CC1=CC=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)=C1C(=O)[O-]	REAL300000362891	0	42	-2.0	-151.30	357.61	8.07	-143.23
CC1=CC=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1C(=O)[O-]	REAL300000362893	0	34	-2.0	-124.76	318.87	4.48	-120.28
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362894	1	41	-2.0	-134.25	363.11	6.46	-127.79
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)=C1C(=O)[O-]	REAL300000362895	0	34	-2.0	-125.18	337.86	5.25	-119.93
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)=C1C(=O)[O-]	REAL300000362896	0	41	-2.0	-128.17	365.86	6.97	-121.20
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1C(=O)[O-]	REAL300000362897	0	44	-2.0	-129.07	372.58	6.71	-122.36
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)=C1C(=O)[O-]	REAL300000362898	1	42	-2.0	-129.02	376.29	8.69	-120.33
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1C(=O)[O-]	REAL300000362899	1	34	-2.0	-135.53	307.89	6.69	-128.84
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362900	1	43	-2.0	-134.03	375.28	8.43	-125.60
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC(C)=C1Br	REAL300000362901	1	37	-2.0	-127.76	343.89	7.52	-120.24
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1C(=O)[O-]	REAL300000362902	0	34	-2.0	-135.59	311.70	6.17	-129.42
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1C(=O)[O-]	REAL300000362903	1	33	-2.0	-133.63	317.13	5.17	-128.46
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=N1	REAL300000362904	0	33	-2.0	-128.62	306.90	2.64	-125.98
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1Cl	REAL300000362905	0	34	-2.0	-124.10	327.86	4.70	-119.40
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=C1C(=O)[O-]	REAL300000362907	0	33	-2.0	-125.70	327.20	5.06	-120.64
CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)=C1C(=O)[O-]	REAL300000362908	0	36	-2.0	-143.98	342.49	6.94	-137.04
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1C(=O)[O-]	REAL300000362909	0	28	-2.0	-124.72	285.94	4.39	-120.33
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=C1C(=O)[O-]	REAL300000362910	1	36	-2.0	-141.64	339.40	6.74	-134.90
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)C2=CC=CC=C12	REAL300000362911	1	40	-2.0	-143.46	344.96	8.62	-134.84
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)C(=O)N3C)=C1C(=O)[O-]	REAL300000362913	1	45	-2.0	-127.24	390.77	7.29	-119.95
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1C(=O)[O-]	REAL300000362914	0	31	-2.0	-126.08	313.71	6.39	-119.69
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)O1	REAL300000362915	0	37	-2.0	-145.10	349.82	2.07	-143.03
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000362916	0	41	-2.0	-135.57	363.60	7.19	-128.38
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1C(=O)[O-]	REAL300000362920	0	35	-2.0	-132.08	330.00	7.10	-124.98
CC1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=C1C(=O)[O-]	REAL300000362923	0	27	-2.0	-118.81	290.12	4.20	-114.61
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362924	1	41	-2.0	-130.61	372.85	7.67	-122.94
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1OC	REAL300000362925	0	36	-2.0	-130.35	339.19	3.79	-126.56
CC1=CC=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1C(=O)[O-]	REAL300000362926	0	32	-2.0	-93.50	321.17	4.33	-89.17
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1C(=O)[O-]	REAL300000362926	1	31	-3.0	-192.84	322.77	4.81	-188.03
CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1C(=O)[O-]	REAL300000362927	0	30	-2.0	-114.59	303.82	4.41	-110.18
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)=C1C(=O)[O-]	REAL300000362928	0	35	-2.0	-130.24	336.71	6.44	-123.80
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=C1C(=O)[O-]	REAL300000362929	1	35	-2.0	-129.80	331.66	5.42	-124.38
CC1=CC=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=C1C(=O)[O-]	REAL300000362930	0	37	-2.0	-130.52	329.60	5.78	-124.74
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=C1C(=O)[O-]	REAL300000362931	1	38	-2.0	-140.34	339.89	7.54	-132.80
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000362932	0	34	-2.0	-132.87	316.37	7.15	-125.72
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)=C1C(=O)[O-]	REAL300000362933	1	40	-2.0	-125.27	365.07	6.27	-119.00
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1C(=O)[O-]	REAL300000362934	0	28	-2.0	-118.81	311.26	5.87	-112.94
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=C1C(=O)[O-]	REAL300000362935	0	31	-2.0	-123.45	306.05	3.83	-119.62
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1	REAL300000362936	0	44	-2.0	-133.50	379.42	8.18	-125.32
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=C1C(=O)[O-]	REAL300000362937	1	36	-2.0	-128.70	337.63	6.41	-122.29
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)=C1C(=O)[O-]	REAL300000362938	1	42	-2.0	-133.50	375.10	8.64	-124.86
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=C1C(=O)[O-]	REAL300000362939	0	37	-2.0	-142.56	324.04	7.60	-134.96
CC1=CC=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C1C(=O)[O-]	REAL300000362940	0	29	-2.0	-128.51	290.35	4.22	-124.29
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1C(=O)[O-]	REAL300000362941	1	36	-2.0	-126.61	341.05	4.37	-122.24
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=C1C(=O)[O-]	REAL300000362942	0	32	-2.0	-132.15	327.69	4.57	-127.58
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362943	0	40	-2.0	-134.59	368.11	4.83	-129.76
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])S1	REAL300000362943	1	39	-3.0	-205.19	364.82	3.70	-201.49
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362944	0	33	-2.0	-119.11	313.94	5.16	-113.95
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362945	1	42	-2.0	-135.84	369.82	7.40	-128.44
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(C2CC2)=N1	REAL300000362946	0	41	-2.0	-132.17	362.99	6.57	-125.60
CC1=CC=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)=C1C(=O)[O-]	REAL300000362947	0	35	-2.0	-138.44	324.20	5.13	-133.31
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=C1C(=O)[O-]	REAL300000362948	1	37	-2.0	-130.12	348.83	8.56	-121.56
CC1=CC=CC([N-]S(=O)(=O)C2=C(C)NC(=O)NC2=O)=C1C(=O)[O-]	REAL300000362949	1	34	-2.0	-131.05	308.92	1.84	-129.21
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C(Cl)S1	REAL300000362951	0	34	-2.0	-134.43	342.51	6.70	-127.73
CCC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=CC=C1Br	REAL300000362952	1	37	-2.0	-126.48	345.23	7.65	-118.83
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362953	0	44	-2.0	-129.35	372.88	6.99	-122.36
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1C(=O)[O-]	REAL300000362954	0	28	-2.0	-126.10	284.98	4.28	-121.82
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1C(=O)[O-]	REAL300000362955	0	28	-2.0	-124.25	295.00	5.29	-118.96
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000362956	0	45	-2.0	-139.35	391.02	6.07	-133.28
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1C(=O)[O-]	REAL300000362957	0	37	-2.0	-135.89	345.04	8.61	-127.28
CC1=CC=CC([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=C1C(=O)[O-]	REAL300000362958	0	39	-2.0	-127.50	338.50	3.52	-123.98
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1C(=O)[O-]	REAL300000362959	1	38	-2.0	-134.88	329.75	7.94	-126.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(C)=N1	REAL300000362963	1	37	-2.0	-123.68	329.04	3.21	-120.47
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362964	0	37	-2.0	-136.41	333.60	3.60	-132.81
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000362966	0	34	-2.0	-128.65	328.91	3.44	-125.21
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C	REAL300000362967	0	37	-2.0	-125.52	333.51	3.20	-122.32
CC1=CC=CC([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=C1C(=O)[O-]	REAL300000362968	0	40	-2.0	-129.48	353.59	5.88	-123.60
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(C)=CC=C1	REAL300000362969	0	40	-2.0	-129.80	349.78	5.52	-124.28
CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1C(=O)[O-]	REAL300000362970	0	30	-2.0	-126.70	313.53	3.76	-122.94
CC1=CC=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C1C(=O)[O-]	REAL300000362971	0	29	-2.0	-131.00	289.14	4.18	-126.82
CC1=CC=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C1C(=O)[O-]	REAL300000362972	0	29	-2.0	-132.15	295.65	5.16	-126.99
CC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C(C)C)=C1C(=O)[O-]	REAL300000362974	0	37	-2.0	-125.59	327.93	5.03	-120.56
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C	REAL300000362975	0	39	-2.0	-122.64	353.01	5.15	-117.49
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C(=O)[O-]	REAL300000362976	0	41	-2.0	-108.05	351.99	8.16	-99.89
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C(=O)[O-]	REAL300000362976	1	40	-3.0	-198.23	360.77	8.22	-190.01
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000362977	0	34	-2.0	-137.66	329.54	7.29	-130.37
CC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1C(=O)[O-]	REAL300000362978	0	38	-2.0	-124.41	338.41	5.91	-118.50
CC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000362979	0	38	-2.0	-133.26	338.14	6.98	-126.28
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)C=NN1C(C)C	REAL300000362981	0	40	-2.0	-127.79	349.28	5.58	-122.21
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1C(=O)[O-]	REAL300000362982	1	38	-2.0	-133.45	346.04	7.97	-125.48
CC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1C(=O)[O-]	REAL300000362983	0	33	-2.0	-131.03	315.43	4.90	-126.13
CC1=CC=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=C1C(=O)[O-]	REAL300000362984	0	31	-2.0	-127.18	325.60	1.90	-125.28
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300000362986	1	45	-2.0	-129.04	395.48	9.35	-119.69
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1C(=O)[O-]	REAL300000362987	1	38	-2.0	-131.72	347.68	8.01	-123.71
CC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1C(=O)[O-]	REAL300000362988	0	35	-2.0	-134.61	336.65	6.24	-128.37
CC1=CC=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C(=O)[O-]	REAL300000362989	0	41	-2.0	-111.97	357.91	8.11	-103.86
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C(=O)[O-]	REAL300000362989	1	40	-3.0	-213.56	358.74	8.21	-205.35
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1C(=O)[O-]	REAL300000362990	1	32	-2.0	-132.95	297.20	2.92	-130.03
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1C(=O)[O-]	REAL300000362991	0	34	-2.0	-135.68	323.86	6.71	-128.97
CC1=CC=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1C(=O)[O-]	REAL300000362992	0	35	-2.0	-145.04	334.09	5.04	-140.00
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1C(=O)[O-]	REAL300000362993	1	38	-2.0	-140.68	342.02	8.07	-132.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000362994	0	34	-2.0	-130.15	333.25	7.38	-122.77
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)=C1C(=O)[O-]	REAL300000362995	0	35	-2.0	-126.21	337.67	5.63	-120.58
CC1=CC=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000362996	0	38	-2.0	-132.23	354.10	6.82	-125.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C(C(F)F)=C1	REAL300000362997	1	38	-2.0	-135.69	336.63	6.35	-129.34
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C1C(=O)OC	REAL300000362998	1	44	-2.0	-129.37	390.14	7.40	-121.97
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C)=C3C(=O)[O-])C=C2C1	REAL300000362999	1	44	-2.0	-137.32	385.49	8.30	-129.02
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1C(=O)[O-]	REAL300000363000	0	37	-2.0	-126.94	351.28	3.95	-122.99
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)C2=NC=CC=C12	REAL300000363001	0	39	-2.0	-151.10	343.92	6.94	-144.16
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000363002	0	36	-3.0	-194.73	336.77	6.32	-188.41
CCC1=C(S(=O)(=O)NC2=CC=CC(C)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000363002	1	37	-2.0	-101.09	337.00	5.77	-95.32
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000363003	0	44	-2.0	-143.67	375.70	7.78	-135.89
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=CC=C2)C=C(Cl)S1	REAL300000363004	0	31	-2.0	-121.70	312.74	6.14	-115.56
CC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)=C1C(=O)[O-]	REAL300000363005	0	38	-2.0	-133.60	358.56	6.74	-126.86
CC1=CC=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1C(=O)[O-]	REAL300000363006	0	38	-2.0	-130.24	331.92	5.09	-125.15
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300000363007	0	34	-2.0	-138.07	313.10	6.51	-131.56
CSC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000363035	0	38	-2.0	-110.04	358.15	7.91	-102.13
CSC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000363058	0	36	-2.0	-108.20	323.38	6.03	-102.17
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000363092	1	38	-2.0	-106.18	352.10	4.05	-102.13
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000363094	1	38	-2.0	-108.67	347.87	4.02	-104.65
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CNC(C)=O)C=C1	REAL300000363095	0	42	-2.0	-114.20	375.71	3.82	-110.38
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000363096	1	42	-2.0	-95.50	379.02	5.32	-90.18
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000363098	0	38	-2.0	-104.31	360.92	4.60	-99.71
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000363099	1	38	-2.0	-104.45	360.07	4.41	-100.04
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000363100	1	44	-2.0	-111.78	380.27	5.33	-106.45
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000363101	0	38	-2.0	-105.84	353.35	4.09	-101.75
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000363102	1	44	-2.0	-94.92	391.13	5.61	-89.31
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000363103	0	35	-2.0	-102.88	341.05	3.04	-99.84
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000363104	1	41	-2.0	-109.94	363.00	4.81	-105.13
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000363106	1	39	-2.0	-107.04	354.52	3.38	-103.66
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000363108	0	38	-2.0	-98.51	356.68	3.70	-94.81
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000363110	0	35	-2.0	-104.39	339.51	3.06	-101.33
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000363112	1	47	-2.0	-112.09	401.77	6.02	-106.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CNC(C)=O)C=C1	REAL300000363113	1	44	-2.0	-108.32	377.71	5.74	-102.58
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CNC(C)=O)C=C1	REAL300000363114	0	45	-2.0	-114.30	398.30	4.59	-109.71
CC(=O)NCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000363115	0	41	-2.0	-106.67	378.67	4.54	-102.13
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000363115	1	40	-3.0	-182.65	375.98	4.59	-178.06
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000363116	1	45	-2.0	-112.86	391.81	5.92	-106.94
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000363117	0	38	-2.0	-102.74	350.60	3.16	-99.58
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000363118	0	42	-2.0	-108.62	376.82	3.12	-105.50
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000363120	1	41	-2.0	-100.38	368.28	4.84	-95.54
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000363121	1	42	-2.0	-93.96	385.16	4.36	-89.60
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000363123	1	38	-2.0	-106.24	356.47	3.91	-102.33
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000363124	0	38	-2.0	-93.39	360.92	4.58	-88.81
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000363125	1	38	-2.0	-95.44	352.39	4.07	-91.37
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000363126	0	35	-2.0	-97.43	340.13	3.14	-94.29
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000363127	1	38	-2.0	-99.49	353.97	4.09	-95.40
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000363128	0	41	-2.0	-107.20	373.61	4.74	-102.46
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000363129	0	38	-2.0	-95.10	353.33	4.09	-91.01
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000363130	1	38	-2.0	-93.43	360.07	4.43	-89.00
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000363131	1	41	-2.0	-102.09	377.30	5.23	-96.86
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000363132	1	38	-2.0	-96.96	358.70	4.12	-92.84
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000363133	1	40	-2.0	-92.85	375.76	4.70	-88.15
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000363134	0	39	-2.0	-108.67	357.59	1.73	-106.94
CC(=O)NCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000363134	1	39	-2.0	-109.07	356.75	2.53	-106.54
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000363135	1	41	-2.0	-99.43	369.73	4.80	-94.63
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000363136	1	41	-2.0	-104.90	361.69	4.76	-100.14
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000363137	1	41	-2.0	-106.53	372.40	4.68	-101.85
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000363140	0	40	-2.0	-105.96	374.43	5.12	-100.84
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000363141	0	38	-2.0	-97.33	359.63	4.15	-93.18
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000363143	0	41	-2.0	-106.87	369.33	4.63	-102.24
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000363144	0	41	-2.0	-106.08	379.61	5.17	-100.91
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000363145	0	41	-2.0	-112.13	372.58	4.72	-107.41
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000363148	1	41	-2.0	-97.08	374.36	5.17	-91.91
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000363149	1	41	-2.0	-105.21	379.07	4.99	-100.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CNC(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000363150	1	42	-2.0	-108.25	375.59	4.25	-104.00
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000363151	1	41	-2.0	-102.13	381.63	5.09	-97.04
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000363154	0	40	-2.0	-114.26	371.32	5.89	-108.37
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000363155	0	38	-2.0	-111.37	351.53	4.05	-107.32
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000363156	1	41	-2.0	-100.38	372.81	4.70	-95.68
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000363157	1	44	-2.0	-116.93	388.91	6.15	-110.78
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000363158	0	37	-2.0	-106.17	344.08	2.14	-104.03
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CNC(C)=O)C=C1	REAL300000363159	0	42	-2.0	-100.14	376.06	3.83	-96.31
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000363160	0	35	-2.0	-96.37	348.02	3.00	-93.37
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000363161	1	45	-2.0	-101.80	391.55	5.84	-95.96
CC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000363162	1	45	-2.0	-104.80	393.31	5.91	-98.89
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CNC(C)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000363163	0	41	-2.0	-102.71	369.99	4.01	-98.70
CCN(C1=CC=CC=C1C(=O)OC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000363194	0	41	-2.0	-115.39	359.88	7.07	-108.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1	REAL300000363214	0	39	-2.0	-101.70	367.27	5.05	-96.65
O=C([O-])C1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1	REAL300000363214	1	39	-2.0	-98.64	368.21	4.06	-94.58
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000363215	0	39	-2.0	-113.59	367.28	5.04	-108.55
O=C([O-])C1=CC=CC(S(=O)(=O)N[N-]C(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000363215	1	39	-2.0	-106.15	368.22	4.05	-102.10
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000363216	0	36	-2.0	-108.08	360.46	4.07	-104.01
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000363217	0	40	-2.0	-112.43	373.92	4.40	-108.03
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C3=CC=CC=C3)N=C2)=CS1	REAL300000363218	0	36	-2.0	-109.56	358.93	4.08	-105.48
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000363219	0	39	-2.0	-106.89	370.29	4.19	-102.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN(C3=CC=CC=C3)N=C2)S1	REAL300000363220	0	36	-2.0	-103.17	359.55	4.18	-98.99
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000363221	0	38	-2.0	-111.14	363.50	3.18	-107.96
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000363222	1	37	-2.0	-108.58	352.37	3.45	-105.13
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000363223	1	37	-2.0	-100.11	347.82	3.43	-96.68
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000363224	1	37	-2.0	-113.81	347.84	3.42	-110.39
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000363225	0	41	-2.0	-118.73	375.97	3.21	-115.52
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000363226	1	41	-2.0	-99.45	379.29	4.72	-94.73
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000363227	1	40	-2.0	-112.18	363.84	3.96	-108.22
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000363228	1	43	-2.0	-116.48	380.51	4.77	-111.71
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000363229	0	37	-2.0	-110.11	353.31	3.49	-106.62
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000363230	1	43	-2.0	-98.80	391.41	5.01	-93.79
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000363231	0	34	-2.0	-107.70	341.02	2.44	-105.26
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000363232	1	40	-2.0	-114.36	363.26	4.21	-110.15
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000363233	1	41	-2.0	-98.35	378.91	3.70	-94.65
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000363234	0	38	-2.0	-111.87	354.47	2.77	-109.10
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000363236	0	37	-2.0	-102.36	356.93	3.10	-99.26
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000363237	1	43	-2.0	-115.89	378.90	4.77	-111.12
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000363238	0	34	-2.0	-109.26	339.49	2.46	-106.80
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000363239	1	41	-2.0	-119.71	375.11	3.49	-116.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(=O)(=O)CC)=C1	REAL300000363240	1	43	-2.0	-112.69	377.97	5.14	-107.55
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000363241	0	37	-2.0	-107.12	350.84	2.56	-104.56
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000363242	0	41	-2.0	-112.37	376.82	2.51	-109.86
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000363243	0	37	-2.0	-110.64	356.43	3.31	-107.33
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000363244	1	37	-2.0	-99.84	352.35	3.46	-96.38
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000363245	0	34	-2.0	-101.24	340.10	2.55	-98.69
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000363246	1	37	-2.0	-104.32	354.24	3.48	-100.84
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000363247	0	37	-2.0	-99.15	353.30	3.50	-95.65
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000363248	0	38	-2.0	-112.78	357.55	1.13	-111.65
CCS(=O)(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000363248	1	38	-2.0	-115.90	356.63	2.01	-113.89
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000363249	1	40	-2.0	-103.29	370.01	4.20	-99.09
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000363250	1	40	-2.0	-107.81	357.89	4.06	-103.75
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000363251	1	40	-2.0	-100.53	363.24	4.20	-96.33
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000363252	1	43	-2.0	-114.11	380.71	4.49	-109.62
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000363253	1	43	-2.0	-112.11	382.31	4.81	-107.30
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)CC)=C2)C=C1C(=O)[O-]	REAL300000363254	1	43	-2.0	-112.82	382.11	4.60	-108.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)CC)=C2)C=C1C(=O)[O-]	REAL300000363255	0	41	-2.0	-111.11	375.96	3.64	-107.47
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000363256	1	40	-2.0	-100.29	363.83	3.97	-96.32
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000363257	0	37	-2.0	-115.34	351.45	3.45	-111.89
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000363258	0	36	-2.0	-111.00	344.05	1.56	-109.44
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000363259	0	41	-2.0	-104.44	376.02	3.23	-101.21
CCS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000363260	0	34	-2.0	-100.58	347.97	2.40	-98.18
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)CC)=C2)C=C(C(=O)[O-])O1	REAL300000363261	0	40	-2.0	-107.03	369.96	3.41	-103.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=CC=C1F	REAL300000363262	0	31	-2.0	-104.45	315.61	4.11	-100.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1	REAL300000363263	0	31	-2.0	-95.28	311.06	4.08	-91.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000363264	0	31	-2.0	-106.75	311.09	4.07	-102.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1	REAL300000363265	0	35	-2.0	-112.76	339.22	3.88	-108.88
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1	REAL300000363266	0	35	-2.0	-94.94	342.54	5.38	-89.56
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000363267	0	34	-2.0	-108.72	327.10	4.60	-104.12
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000363268	0	31	-2.0	-103.29	324.15	4.65	-98.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=CC=C1Cl	REAL300000363269	0	31	-2.0	-102.77	323.59	4.46	-98.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1C	REAL300000363270	0	37	-2.0	-110.45	343.48	5.39	-105.06
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000363271	0	31	-2.0	-104.61	316.56	4.13	-100.48
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1	REAL300000363272	0	37	-2.0	-94.09	354.65	5.66	-88.43
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000363273	0	28	-2.0	-101.18	304.26	3.11	-98.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1	REAL300000363274	0	34	-2.0	-108.52	326.51	4.86	-103.66
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1	REAL300000363275	0	35	-2.0	-93.72	342.15	4.36	-89.36
CN1C=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000363276	0	32	-2.0	-105.39	317.73	3.44	-101.95
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1	REAL300000363277	0	35	-2.0	-108.95	335.29	2.89	-106.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000363278	0	31	-2.0	-98.13	320.19	3.76	-94.37
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000363279	0	37	-2.0	-109.97	342.14	5.42	-104.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=CS1	REAL300000363280	0	28	-2.0	-102.48	302.73	3.11	-99.37
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000363281	0	35	-2.0	-112.53	338.37	4.14	-108.39
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1	REAL300000363282	0	40	-2.0	-110.60	364.97	6.08	-104.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1	REAL300000363283	0	37	-2.0	-107.11	341.23	5.79	-101.32
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1	REAL300000363284	0	38	-2.0	-112.25	361.51	4.65	-107.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=CC(C(=O)[O-])=C1	REAL300000363285	0	33	-3.0	-180.70	339.50	4.65	-176.05
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000363286	0	38	-2.0	-112.55	355.33	5.98	-106.57
CC1=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000363287	0	31	-2.0	-101.85	314.09	3.23	-98.62
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000363288	0	35	-2.0	-107.56	340.00	3.17	-104.39
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=CC=C1OCC(=O)[O-]	REAL300000363289	0	38	-2.0	-94.16	362.24	5.06	-89.10
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1	REAL300000363290	0	34	-2.0	-99.32	331.78	4.90	-94.42
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1F	REAL300000363291	0	35	-2.0	-93.41	348.38	4.42	-88.99
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000363292	0	38	-2.0	-114.17	360.21	5.06	-109.11
CC1=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C(C(=O)[O-])S1	REAL300000363293	0	31	-2.0	-104.99	320.77	3.97	-101.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C(Cl)=C1	REAL300000363294	0	31	-2.0	-92.91	324.13	4.64	-88.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1F	REAL300000363295	0	31	-2.0	-94.84	315.60	4.12	-90.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)S1	REAL300000363296	0	28	-2.0	-96.79	303.35	3.20	-93.59
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000363297	0	31	-2.0	-97.94	317.49	4.14	-93.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1F	REAL300000363298	0	34	-2.0	-105.97	336.84	4.79	-101.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C(F)=C1	REAL300000363299	0	31	-2.0	-94.49	316.54	4.15	-90.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1Cl	REAL300000363300	0	31	-2.0	-92.86	323.58	4.47	-88.39
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1	REAL300000363301	0	34	-2.0	-100.98	340.52	5.28	-95.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=CC(F)=C1F	REAL300000363302	0	31	-2.0	-96.38	321.91	4.16	-92.22
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000363303	0	33	-2.0	-92.37	339.27	4.74	-87.63
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000363304	0	32	-2.0	-107.93	320.79	1.80	-106.13
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1	REAL300000363305	0	34	-2.0	-98.54	333.26	4.86	-93.68
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1	REAL300000363306	0	34	-2.0	-103.15	321.14	4.70	-98.45
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=CC(C(=O)[O-])=C1F	REAL300000363307	0	34	-2.0	-105.76	335.91	4.72	-101.04
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1	REAL300000363308	0	34	-2.0	-95.65	326.49	4.85	-90.80
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=CC(C(=O)[O-])=C1C	REAL300000363309	0	37	-2.0	-111.95	347.88	5.24	-106.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=CC=C1[N+](=O)[O-]	REAL300000363310	0	33	-2.0	-105.44	337.66	5.17	-100.27
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000363311	0	31	-2.0	-96.36	322.83	4.21	-92.15
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C(C)=C1C(=O)[O-]	REAL300000363312	0	37	-2.0	-107.57	344.46	5.49	-102.08
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000363313	0	34	-2.0	-106.84	336.39	4.78	-102.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1Cl	REAL300000363314	0	34	-2.0	-104.96	342.84	5.22	-99.74
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000363315	0	34	-2.0	-111.46	336.11	4.76	-106.70
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000363316	0	37	-2.0	-109.42	345.05	5.26	-104.16
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1CC(=O)[O-]	REAL300000363317	0	38	-2.0	-108.23	361.56	4.20	-104.03
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1	REAL300000363318	0	34	-2.0	-96.77	337.34	5.26	-91.51
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000363319	0	34	-2.0	-104.52	342.30	5.03	-99.49
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000363320	0	35	-2.0	-106.61	339.10	4.30	-102.31
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000363321	0	34	-2.0	-102.07	344.82	5.14	-96.93
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000363322	0	34	-2.0	-96.89	331.15	4.72	-92.17
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1	REAL300000363323	0	34	-2.0	-106.41	330.61	4.91	-101.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1[N+](=O)[O-]	REAL300000363324	0	33	-2.0	-113.86	334.81	5.93	-107.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1F	REAL300000363325	0	31	-2.0	-110.67	314.74	4.11	-106.56
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000363326	0	34	-2.0	-100.30	336.02	4.75	-95.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=CC2=CC=CC=C21	REAL300000363327	0	37	-2.0	-115.71	352.12	6.20	-109.51
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000363328	0	30	-2.0	-105.12	308.07	2.14	-102.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1	REAL300000363329	0	35	-2.0	-99.34	339.27	3.88	-95.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)=C(Cl)O1	REAL300000363330	0	28	-2.0	-95.48	311.23	3.06	-92.42
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(CC(F)(F)F)N=C3)C=C2)CC1	REAL300000363331	0	38	-2.0	-100.32	355.06	5.90	-94.42
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(CC(F)(F)F)N=C3)C=C2C1	REAL300000363332	0	38	-2.0	-103.62	356.52	5.96	-97.66
CCC1=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000363333	0	34	-2.0	-101.85	333.21	4.08	-97.77
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000363334	0	38	-2.0	-103.13	357.30	6.89	-96.24
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000363335	0	38	-2.0	-92.58	352.75	6.88	-85.70
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000363336	0	38	-2.0	-105.61	350.22	6.48	-99.13
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC(C)C	REAL300000363337	0	42	-2.0	-111.72	378.36	6.28	-105.44
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000363338	0	42	-2.0	-91.93	384.20	8.16	-83.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(C)C)C=C1C(=O)[O-]	REAL300000363339	0	41	-2.0	-105.10	368.79	7.40	-97.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(C)C)=C1C	REAL300000363340	0	44	-2.0	-109.36	382.80	7.83	-101.53
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000363341	0	38	-2.0	-101.52	358.32	6.94	-94.58
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000363342	0	44	-2.0	-92.28	393.80	8.07	-84.21
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000363343	0	35	-2.0	-99.92	345.93	5.89	-94.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC(C)C	REAL300000363344	0	41	-2.0	-106.51	365.56	7.42	-99.09
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000363345	0	42	-2.0	-90.48	383.84	7.15	-83.33
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000363346	0	39	-2.0	-105.08	356.78	5.83	-99.25
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC(C)C	REAL300000363347	0	42	-2.0	-107.70	373.91	5.32	-102.38
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(C)C)=C1	REAL300000363348	0	38	-2.0	-95.22	361.87	6.56	-88.66
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(C)C)C=C1C(=O)[O-]	REAL300000363349	0	44	-2.0	-108.37	381.69	7.80	-100.57
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000363350	0	35	-2.0	-101.44	341.87	5.52	-95.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(C)C)C=C1C(=O)[O-]	REAL300000363351	0	42	-2.0	-111.48	380.06	6.94	-104.54
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC(C)C	REAL300000363352	0	44	-2.0	-104.93	367.76	7.83	-97.10
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000363353	0	38	-2.0	-99.40	353.24	5.62	-93.78
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(C)C)=C1	REAL300000363354	0	42	-2.0	-106.84	379.05	5.57	-101.27
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(C)C)C=C(C(=O)[O-])S1	REAL300000363355	0	38	-2.0	-102.93	360.90	6.57	-96.36
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000363356	0	38	-2.0	-92.01	357.28	6.90	-85.11
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000363357	0	35	-2.0	-94.08	345.03	5.99	-88.09
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000363358	0	38	-2.0	-95.25	359.18	6.94	-88.31
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000363359	0	38	-2.0	-92.27	358.31	6.94	-85.33
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000363360	0	39	-2.0	-104.42	359.94	4.20	-100.22
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000363361	0	41	-2.0	-96.82	374.93	7.65	-89.17
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC(C)C	REAL300000363362	0	41	-2.0	-103.14	360.26	7.11	-96.03
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC(C)C	REAL300000363363	0	41	-2.0	-92.44	368.26	7.64	-84.80
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(C)C)=CC(C(=O)[O-])=C1C	REAL300000363364	0	44	-2.0	-109.92	383.69	7.56	-102.36
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(C)C)C(C)=C1C(=O)[O-]	REAL300000363365	0	44	-2.0	-105.57	384.78	8.08	-97.49
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(C)C)C=C1C(=O)[O-]	REAL300000363366	0	44	-2.0	-107.37	384.55	7.66	-99.71
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(C)C)C=C1C(=O)[O-]	REAL300000363367	0	42	-2.0	-105.40	378.18	6.69	-98.71
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000363368	0	41	-2.0	-93.90	366.14	7.03	-86.87
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000363369	0	38	-2.0	-109.89	353.76	6.51	-103.38
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000363370	0	37	-2.0	-102.95	347.12	4.55	-98.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC(C)C	REAL300000363371	0	42	-2.0	-97.75	378.43	6.28	-91.47
CC(C)OC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000363372	0	35	-2.0	-94.18	350.33	5.45	-88.73
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000363373	0	41	-2.0	-99.73	364.89	6.25	-93.48
COC1=CC=C(Cl)C=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000363395	0	38	-2.0	-113.01	367.97	6.97	-106.04
COC1=CC=C(Cl)C=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000363410	0	36	-2.0	-110.09	336.85	5.10	-104.99
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000363433	1	40	-2.0	-102.58	360.81	4.14	-98.44
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000363434	1	40	-2.0	-92.75	356.26	4.11	-88.64
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000363435	0	40	-2.0	-104.92	356.29	4.09	-100.83
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)C)N=C1	REAL300000363436	0	44	-2.0	-110.81	384.42	3.90	-106.91
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000363437	1	44	-2.0	-92.70	387.73	5.40	-87.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000363438	1	43	-2.0	-107.28	376.35	4.74	-102.54
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000363439	0	40	-2.0	-101.18	369.35	4.67	-96.51
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000363440	0	40	-2.0	-100.87	368.79	4.50	-96.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)=C1C	REAL300000363441	1	46	-2.0	-108.51	388.68	5.41	-103.10
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000363442	0	40	-2.0	-102.44	361.76	4.17	-98.27
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000363443	0	46	-2.0	-92.12	399.85	5.69	-86.43
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000363444	0	37	-2.0	-99.14	349.47	3.13	-96.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)C)N=C1	REAL300000363445	1	43	-2.0	-106.67	371.72	4.89	-101.78
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000363446	1	44	-2.0	-91.41	387.35	4.38	-87.03
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000363447	0	41	-2.0	-103.26	362.92	3.46	-99.80
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)C)N=C1	REAL300000363448	1	44	-2.0	-107.10	380.49	2.93	-104.17
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)=C1	REAL300000363449	0	40	-2.0	-95.41	365.39	3.79	-91.62
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000363450	1	46	-2.0	-107.86	387.74	5.42	-102.44
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000363451	0	37	-2.0	-100.65	347.93	3.14	-97.51
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000363452	1	44	-2.0	-110.83	383.57	4.17	-106.66
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=N1	REAL300000363453	1	49	-2.0	-108.88	410.18	6.13	-102.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)C)N=C1	REAL300000363454	1	46	-2.0	-105.44	386.40	5.84	-99.60
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)C)N=C1	REAL300000363455	0	47	-2.0	-110.58	406.71	4.67	-105.91
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000363456	0	42	-3.0	-178.60	384.69	4.68	-173.92
CC(C)COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000363456	1	43	-2.0	-110.85	391.25	4.57	-106.28
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000363457	1	47	-2.0	-110.59	400.52	6.01	-104.58
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000363458	0	40	-2.0	-99.43	359.29	3.25	-96.18
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)=C1	REAL300000363459	0	44	-2.0	-105.94	385.27	3.19	-102.75
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000363460	1	47	-2.0	-91.81	407.44	5.09	-86.72
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)C)N=C1	REAL300000363461	0	43	-2.0	-97.21	376.99	4.92	-92.29
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000363462	0	44	-2.0	-90.96	393.57	4.44	-86.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000363463	1	47	-2.0	-111.43	405.42	5.09	-106.34
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000363464	0	40	-2.0	-103.09	364.88	4.01	-99.08
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000363465	0	40	-2.0	-90.42	369.33	4.67	-85.75
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000363466	0	40	-2.0	-92.37	360.80	4.14	-88.23
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000363467	0	37	-2.0	-94.29	348.55	3.22	-91.07
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000363468	0	40	-2.0	-95.89	362.69	4.17	-91.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)=C1F	REAL300000363469	0	43	-2.0	-103.75	382.03	4.80	-98.95
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000363470	0	40	-2.0	-91.85	361.75	4.18	-87.67
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000363471	1	40	-2.0	-90.34	368.79	4.51	-85.83
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)C)N=C1	REAL300000363472	0	43	-2.0	-98.90	385.72	5.31	-93.59
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000363473	0	40	-2.0	-94.33	367.10	4.20	-90.13
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000363474	0	42	-2.0	-90.07	384.48	4.77	-85.30
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000363475	0	41	-2.0	-105.85	366.00	1.81	-104.04
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000363476	0	43	-2.0	-96.57	378.45	4.88	-91.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)C)N=C1	REAL300000363477	1	43	-2.0	-100.78	366.32	4.73	-96.05
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000363478	1	43	-2.0	-103.81	381.12	4.76	-99.05
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)C)N=C1	REAL300000363479	1	43	-2.0	-93.27	371.70	4.88	-88.39
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000363480	1	46	-2.0	-109.14	393.08	5.26	-103.88
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000363481	0	42	-2.0	-103.48	382.84	5.18	-98.30
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000363482	0	40	-2.0	-93.98	368.04	4.23	-89.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000363483	1	46	-2.0	-104.94	390.76	5.50	-99.44
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000363484	0	43	-2.0	-103.39	377.76	4.71	-98.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)=C1Cl	REAL300000363485	0	43	-2.0	-102.82	388.06	5.24	-97.58
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)=C1	REAL300000363486	0	43	-2.0	-108.97	381.29	4.81	-104.16
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000363487	1	46	-2.0	-106.63	390.52	5.29	-101.34
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)C=C1CC(=O)[O-]	REAL300000363488	1	47	-2.0	-107.11	406.75	4.23	-102.88
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)C)N=C1	REAL300000363489	0	43	-2.0	-95.07	386.82	5.36	-89.71
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000363490	0	43	-2.0	-102.49	387.50	5.06	-97.43
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000363491	0	44	-2.0	-104.54	384.30	4.33	-100.21
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000363492	1	43	-2.0	-99.32	390.02	5.17	-94.15
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000363493	1	43	-2.0	-92.78	372.29	4.65	-88.13
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)C)N=C1	REAL300000363494	1	43	-2.0	-104.21	376.24	4.93	-99.28
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000363495	0	42	-2.0	-111.59	380.03	5.95	-105.64
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000363496	0	40	-2.0	-108.29	359.94	4.13	-104.16
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000363497	0	43	-2.0	-97.52	381.22	4.78	-92.74
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000363498	0	39	-2.0	-102.39	352.50	2.23	-100.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)C)N=C1	REAL300000363499	0	44	-2.0	-96.87	384.49	3.90	-92.97
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000363500	0	37	-2.0	-93.12	356.42	3.08	-90.04
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000363501	0	47	-2.0	-99.49	402.41	5.98	-93.51
CC(C)COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000363502	0	47	-2.0	-101.87	401.72	5.98	-95.89
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000363503	0	43	-2.0	-99.50	378.41	4.10	-95.40
CC(=O)N(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300000363505	1	47	-2.0	-111.57	395.96	7.52	-104.05
CC(=O)N(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1)C(C)C	REAL300000363506	0	44	-2.0	-112.06	389.12	6.39	-105.67
CC(=O)N(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1)C(C)C	REAL300000363507	1	48	-2.0	-109.98	402.10	6.84	-103.14
CC(=O)N(CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300000363508	0	44	-2.0	-107.45	387.59	6.56	-100.89
CC(=O)N(CC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300000363509	0	47	-2.0	-105.52	398.46	6.63	-98.89
CC(=O)N(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300000363510	0	44	-2.0	-102.68	385.57	6.47	-96.21
CC(=O)N(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1)C(C)C	REAL300000363511	0	46	-2.0	-109.60	391.67	5.61	-103.99
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1	REAL300000363512	0	39	-2.0	-92.93	354.11	1.48	-91.45
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC=C1F	REAL300000363513	0	32	-2.0	-109.27	302.17	2.92	-106.35
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363514	0	40	-2.0	-108.58	357.28	4.00	-104.58
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363515	0	32	-2.0	-105.07	314.05	3.58	-101.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363516	0	36	-2.0	-115.14	325.80	2.70	-112.44
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC=C1Br	REAL300000363517	0	32	-2.0	-107.09	313.88	3.38	-103.71
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1	REAL300000363518	0	36	-2.0	-98.76	329.10	4.19	-94.57
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1C(=O)[O-]	REAL300000363519	0	35	-2.0	-112.56	313.69	3.43	-109.13
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363520	0	32	-2.0	-105.69	310.70	3.45	-102.24
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC=C1Cl	REAL300000363521	0	32	-2.0	-107.58	310.14	3.28	-104.30
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C(Cl)C=C1Cl	REAL300000363522	0	32	-2.0	-101.49	323.22	3.83	-97.66
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=C(Cl)C=C1Cl	REAL300000363522	1	31	-3.0	-202.33	320.03	3.04	-199.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1C	REAL300000363523	0	38	-2.0	-112.28	330.05	4.19	-108.09
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363524	0	32	-2.0	-107.25	303.11	2.96	-104.29
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1	REAL300000363525	0	38	-2.0	-97.65	341.22	4.48	-93.17
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363526	0	29	-2.0	-105.83	290.84	1.92	-103.91
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363527	0	35	-2.0	-110.64	312.67	3.62	-107.02
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1	REAL300000363528	0	36	-2.0	-97.59	328.72	3.18	-94.41
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCC3)C=C2)C1	REAL300000363529	0	43	-2.0	-94.48	374.49	3.95	-90.53
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C(Br)S1	REAL300000363530	0	29	-2.0	-101.69	307.87	2.68	-99.01
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=C(Br)S1	REAL300000363530	1	28	-3.0	-200.91	304.65	1.89	-199.02
CN1C=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1C(=O)[O-]	REAL300000363531	0	33	-2.0	-110.25	304.30	2.25	-108.00
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363532	0	36	-2.0	-111.08	321.86	1.70	-109.38
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1F	REAL300000363533	0	32	-2.0	-109.09	322.57	3.53	-105.56
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=C1F	REAL300000363533	1	31	-3.0	-214.63	319.39	2.76	-211.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363534	0	32	-2.0	-102.19	306.77	2.58	-99.61
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1C(=O)[O-]	REAL300000363535	0	38	-2.0	-111.80	328.72	4.16	-107.64
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CS1	REAL300000363536	0	29	-2.0	-107.29	289.30	1.93	-105.36
COC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC(C(=O)[O-])=C1OC	REAL300000363537	0	40	-2.0	-112.39	355.97	2.70	-109.69
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1C(=O)[O-]	REAL300000363538	0	36	-2.0	-117.56	324.94	2.96	-114.60
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363539	0	42	-2.0	-114.26	352.88	5.42	-108.84
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363540	0	41	-2.0	-112.39	351.55	4.86	-107.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363541	0	38	-2.0	-108.02	327.76	4.41	-103.61
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363542	0	39	-2.0	-113.97	348.08	3.46	-110.51
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC(C(=O)[O-])=C1	REAL300000363543	0	34	-3.0	-187.16	326.06	3.46	-183.70
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363544	0	39	-2.0	-114.60	341.90	4.77	-109.83
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C(C(=O)[O-])O1	REAL300000363545	0	32	-2.0	-104.45	300.67	2.04	-102.41
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC2=C1OCCO2	REAL300000363546	0	38	-2.0	-116.48	339.82	2.67	-113.81
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363547	0	36	-2.0	-113.09	326.64	1.98	-111.11
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCC3)C=C2C1	REAL300000363548	0	40	-2.0	-98.72	351.27	3.50	-95.22
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC(Cl)=C1Cl	REAL300000363549	0	32	-2.0	-101.47	325.34	3.74	-97.73
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=CC(Cl)=C1Cl	REAL300000363549	1	31	-3.0	-203.35	322.16	2.97	-200.38
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C(Cl)C=C1F	REAL300000363550	0	32	-2.0	-102.66	315.24	3.47	-99.19
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=C(Cl)C=C1F	REAL300000363550	1	31	-3.0	-201.98	312.06	2.67	-199.31
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1Cl	REAL300000363551	0	36	-2.0	-96.21	344.73	3.72	-92.49
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC=C1OCC(=O)[O-]	REAL300000363552	0	39	-2.0	-98.03	348.81	3.88	-94.15
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1F	REAL300000363553	0	42	-2.0	-96.63	377.40	4.14	-92.49
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363554	0	35	-2.0	-101.61	318.36	3.69	-97.92
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC=C1OCCCC(=O)[O-]	REAL300000363555	0	45	-2.0	-97.82	391.26	4.81	-93.01
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1F	REAL300000363556	0	36	-2.0	-97.22	334.93	3.24	-93.98
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1Cl	REAL300000363557	0	42	-2.0	-96.24	387.21	4.63	-91.61
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1C(=O)[O-]	REAL300000363558	0	39	-2.0	-118.01	346.77	3.87	-114.14
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C(C(=O)[O-])S1	REAL300000363559	0	32	-2.0	-107.16	306.28	2.79	-104.37
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363560	0	32	-2.0	-99.96	325.87	3.90	-96.06
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=C1	REAL300000363560	1	31	-3.0	-200.75	322.69	3.11	-197.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C(Cl)=C1	REAL300000363561	0	32	-2.0	-97.18	310.70	3.44	-93.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C(Br)=C1	REAL300000363562	0	32	-2.0	-96.67	314.05	3.57	-93.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1F	REAL300000363563	0	32	-2.0	-99.16	302.19	2.93	-96.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)S1	REAL300000363564	0	29	-2.0	-100.96	289.92	2.02	-98.94
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363565	0	32	-2.0	-102.51	304.06	2.96	-99.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1F	REAL300000363566	0	35	-2.0	-108.76	323.40	3.59	-105.17
COC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C(Cl)C=C1C(=O)[O-]	REAL300000363567	0	36	-2.0	-101.92	337.94	3.51	-98.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C(F)=C1	REAL300000363568	0	32	-2.0	-99.05	303.12	2.96	-96.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1Cl	REAL300000363569	0	32	-2.0	-97.16	310.16	3.30	-93.86
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363570	0	35	-2.0	-103.15	327.10	4.08	-99.07
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363571	0	35	-2.0	-103.83	332.75	4.23	-99.60
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1	REAL300000363572	0	40	-2.0	-95.49	361.38	4.30	-91.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1Br	REAL300000363573	0	32	-2.0	-96.73	313.90	3.39	-93.34
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC(F)=C1F	REAL300000363574	0	32	-2.0	-101.07	308.48	2.99	-98.08
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=CC(F)=C1F	REAL300000363574	1	31	-3.0	-200.15	305.30	2.21	-197.94
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363575	0	34	-2.0	-96.81	325.84	3.56	-93.25
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=C1	REAL300000363575	1	33	-3.0	-197.59	322.66	2.79	-194.80
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363576	0	33	-2.0	-108.37	307.35	0.61	-107.76
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363576	1	32	-3.0	-207.09	303.79	1.50	-205.59
CC1=C(Br)C=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1C(=O)[O-]	REAL300000363577	0	35	-2.0	-106.97	335.50	4.05	-102.92
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1	REAL300000363578	0	35	-2.0	-101.69	319.82	3.68	-98.01
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC(Cl)=C1F	REAL300000363579	0	32	-2.0	-102.50	318.37	3.42	-99.08
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=CC(Cl)=C1F	REAL300000363579	1	31	-3.0	-202.72	315.19	2.65	-200.07
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363580	0	35	-2.0	-109.22	307.20	3.50	-105.72
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363581	0	35	-2.0	-103.63	331.12	4.17	-99.46
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC(C(=O)[O-])=C1F	REAL300000363582	0	35	-2.0	-110.55	322.49	3.54	-107.01
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363583	0	35	-2.0	-99.30	313.07	3.66	-95.64
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC(C(=O)[O-])=C1C	REAL300000363584	0	38	-2.0	-116.17	334.45	4.06	-112.11
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC=C1[N+](=O)[O-]	REAL300000363585	0	34	-2.0	-110.47	324.23	3.98	-106.49
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363586	0	32	-2.0	-99.55	309.41	3.02	-96.53
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=C1	REAL300000363586	1	31	-3.0	-202.17	306.23	2.24	-199.93
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]NC(=O)C2CCC2)S1	REAL300000363587	0	29	-2.0	-98.70	310.23	2.56	-96.14
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-][N-]C(=O)C2CCC2)S1	REAL300000363587	1	28	-3.0	-197.87	307.05	1.78	-196.09
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C(C)=C1C(=O)[O-]	REAL300000363588	0	38	-2.0	-113.77	331.04	4.22	-109.55
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1C(=O)[O-]	REAL300000363589	0	35	-2.0	-108.34	319.13	3.49	-104.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1Cl	REAL300000363590	0	35	-2.0	-107.53	329.43	4.02	-103.51
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363591	0	35	-2.0	-118.07	322.69	3.58	-114.49
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1C(=O)[O-]	REAL300000363592	0	38	-2.0	-113.34	331.86	4.08	-109.26
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C(Br)C=C1F	REAL300000363593	0	32	-2.0	-102.19	318.58	3.60	-98.59
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=C(Br)C=C1F	REAL300000363593	1	31	-3.0	-200.68	315.41	2.82	-197.86
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1CC(=O)[O-]	REAL300000363594	0	39	-2.0	-115.72	348.12	3.02	-112.70
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363595	0	35	-2.0	-103.48	328.19	4.14	-99.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1C(F)(F)F	REAL300000363596	0	35	-2.0	-96.12	327.77	3.71	-92.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2CCC2)C=C1C(F)(F)F	REAL300000363596	1	34	-3.0	-193.14	324.58	2.93	-190.21
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC(C(=O)[O-])=C1Cl	REAL300000363597	0	35	-2.0	-109.20	328.88	3.85	-105.35
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363598	0	32	-2.0	-104.34	318.94	3.51	-100.83
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1Br	REAL300000363599	0	35	-2.0	-107.19	332.25	4.14	-103.05
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1C(=O)[O-]	REAL300000363600	0	36	-2.0	-111.57	325.68	3.11	-108.46
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C(C)=C1CC(=O)[O-]	REAL300000363601	0	44	-2.0	-114.93	362.06	5.73	-109.20
O=C([O-])C1=CC(F)=C(Br)C(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363602	0	32	-2.0	-98.11	319.75	3.62	-94.49
O=C([O-])C1=CC(F)=C(Br)C(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=C1	REAL300000363602	1	31	-3.0	-197.55	316.57	2.85	-194.70
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C(F)C(Cl)=C1F	REAL300000363603	0	32	-2.0	-98.40	323.23	3.45	-94.95
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=C(F)C(Cl)=C1F	REAL300000363603	1	31	-3.0	-198.62	320.05	2.67	-195.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C(OC(F)(F)F)=C1	REAL300000363604	0	36	-2.0	-98.72	342.35	3.20	-95.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2CCC2)C(OC(F)(F)F)=C1	REAL300000363604	1	35	-3.0	-197.69	339.17	2.42	-195.27
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1C(=O)[O-]	REAL300000363605	0	35	-2.0	-106.39	331.40	3.96	-102.43
CC(C)(C)C1=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C(C(=O)[O-])S1	REAL300000363606	0	41	-2.0	-107.24	347.37	4.80	-102.44
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1C(=O)[O-]	REAL300000363607	0	36	-2.0	-111.29	337.97	3.51	-107.78
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC=C1C(=O)[O-]	REAL300000363608	0	35	-2.0	-99.64	313.66	3.44	-96.20
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C([N+](=O)[O-])=C1	REAL300000363609	0	37	-2.0	-102.65	340.93	4.96	-97.69
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363610	0	35	-2.0	-107.92	317.61	3.70	-104.22
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1[N+](=O)[O-]	REAL300000363611	0	34	-2.0	-120.38	321.38	4.75	-115.63
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1F	REAL300000363612	0	32	-2.0	-117.32	301.31	2.93	-114.39
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C1C(=O)[O-]	REAL300000363613	0	35	-2.0	-104.62	322.59	3.57	-101.05
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC2=CC=CC=C21	REAL300000363614	0	38	-2.0	-119.95	338.69	5.02	-114.93
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCC1	REAL300000363615	0	36	-2.0	-103.47	325.86	2.70	-100.77
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C(Cl)O1	REAL300000363616	0	29	-2.0	-99.02	297.79	1.87	-97.15
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=C(Cl)O1	REAL300000363616	1	28	-3.0	-196.25	294.62	1.08	-195.17
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC2)=CC=C1OC(F)(F)F	REAL300000363617	0	36	-2.0	-107.02	341.44	3.44	-103.58
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=CC=C1OC(F)(F)F	REAL300000363617	1	35	-3.0	-209.25	338.25	2.67	-206.58
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2CCC2)=C1	REAL300000363618	0	35	-2.0	-103.45	341.00	-0.07	-103.52
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2CCC2)=C1	REAL300000363618	1	34	-3.0	-205.96	337.82	-0.84	-206.80
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCC3)C=C2)CC1	REAL300000363619	0	39	-2.0	-105.07	343.78	4.78	-100.29
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCC3)C=C2C1	REAL300000363620	0	39	-2.0	-111.24	343.10	4.78	-106.46
CCC1=C(S(=O)(=O)[N-]NC(=O)C2CCC2)C=C(C(=O)[O-])O1	REAL300000363621	0	35	-2.0	-103.95	319.81	2.82	-101.13
CC1=CC=C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C2=C1	REAL300000363649	0	41	-2.0	-114.08	351.57	8.69	-105.39
CC1=CC=C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000363674	0	39	-2.0	-113.19	333.70	6.93	-106.26
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000363710	0	45	-2.0	-102.41	405.76	3.02	-99.39
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000363711	0	38	-2.0	-118.90	353.83	4.47	-114.43
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=N1	REAL300000363712	0	46	-2.0	-120.56	408.92	5.53	-115.03
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000363713	0	38	-2.0	-108.99	349.28	4.44	-104.55
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000363714	0	38	-2.0	-121.93	349.30	4.43	-117.50
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=N1	REAL300000363715	0	42	-2.0	-128.25	377.44	4.24	-124.01
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000363716	0	42	-2.0	-108.52	380.75	5.73	-102.79
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000363717	0	41	-2.0	-124.48	369.37	5.08	-119.40
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000363718	0	38	-2.0	-117.72	362.37	5.00	-112.72
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000363719	0	38	-2.0	-117.51	361.80	4.83	-112.68
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000363720	0	44	-2.0	-125.38	381.96	5.78	-119.60
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000363721	0	38	-2.0	-119.71	354.78	4.50	-115.21
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000363722	0	44	-2.0	-108.04	392.88	6.03	-102.01
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000363723	0	35	-2.0	-115.86	342.49	3.46	-112.40
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000363724	0	41	-2.0	-123.27	364.73	5.21	-118.06
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000363725	0	42	-2.0	-107.19	380.36	4.72	-102.47
COCCCN1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000363726	0	39	-2.0	-120.16	355.95	3.78	-116.38
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000363727	0	42	-2.0	-123.77	373.09	3.27	-120.50
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300000363728	0	38	-2.0	-112.23	358.42	4.12	-108.11
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000363729	0	44	-2.0	-124.59	380.76	5.75	-118.84
COCCCN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000363730	0	35	-2.0	-117.38	340.95	3.47	-113.91
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000363731	0	46	-2.0	-121.95	407.63	4.25	-117.70
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000363732	0	42	-2.0	-127.75	376.58	4.50	-123.25
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000363733	0	48	-2.0	-127.37	404.53	7.06	-120.31
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000363734	0	47	-2.0	-125.60	403.19	6.44	-119.16
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCCOC)C=C1	REAL300000363735	0	44	-2.0	-121.38	379.43	6.15	-115.23
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=N1	REAL300000363736	0	45	-2.0	-128.37	399.73	5.00	-123.37
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000363737	0	40	-3.0	-198.36	377.70	5.00	-193.36
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000363738	0	45	-2.0	-127.70	393.54	6.32	-121.38
COCCCN1C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300000363739	0	38	-2.0	-115.45	352.30	3.58	-111.87
COCCCN1C=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000363740	0	44	-2.0	-127.54	391.47	4.21	-123.33
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=N1	REAL300000363741	0	42	-2.0	-123.22	378.22	3.54	-119.68
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000363742	0	46	-2.0	-109.07	402.94	5.06	-104.01
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000363743	0	38	-2.0	-114.00	366.89	5.02	-108.98
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=N1	REAL300000363744	0	45	-2.0	-107.63	400.46	5.43	-102.20
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000363745	0	41	-2.0	-113.27	370.01	5.25	-108.02
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000363746	0	42	-2.0	-106.37	386.59	4.78	-101.59
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CCCOC)C=C2)C=C1C(=O)[O-]	REAL300000363747	0	45	-2.0	-129.32	398.43	5.41	-123.91
COCCCN1C=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300000363748	0	38	-2.0	-119.11	358.99	4.32	-114.79
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000363749	0	38	-2.0	-106.32	362.35	4.99	-101.33
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000363750	0	38	-2.0	-108.26	353.81	4.48	-103.78
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000363751	0	35	-2.0	-110.88	341.55	3.56	-107.32
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000363752	0	38	-2.0	-113.13	355.70	4.50	-108.63
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000363753	0	41	-2.0	-121.18	375.05	5.14	-116.04
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000363754	0	38	-2.0	-108.61	354.76	4.51	-104.10
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000363755	0	38	-2.0	-106.46	361.78	4.84	-101.62
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300000363756	0	41	-2.0	-115.09	378.74	5.64	-109.45
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000363757	0	46	-2.0	-105.17	413.03	5.85	-99.32
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000363758	0	38	-2.0	-110.16	360.12	4.53	-105.63
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000363759	0	40	-2.0	-106.90	377.49	5.10	-101.80
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000363760	0	39	-2.0	-122.23	359.02	2.16	-120.07
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000363761	0	41	-2.0	-113.18	371.48	5.22	-107.96
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000363762	0	38	-2.0	-111.73	370.00	4.97	-106.76
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000363763	0	41	-2.0	-118.30	359.37	5.06	-113.24
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000363764	0	41	-2.0	-120.30	374.13	5.09	-115.21
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000363765	0	41	-2.0	-109.10	364.71	5.21	-103.89
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000363766	0	44	-2.0	-127.52	386.10	5.60	-121.92
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000363767	0	40	-2.0	-119.13	375.85	5.53	-113.60
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000363768	0	38	-2.0	-110.94	361.04	4.56	-106.38
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000363769	0	44	-2.0	-122.74	382.69	5.84	-116.90
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000363770	0	41	-2.0	-120.96	370.78	5.03	-115.93
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=N1	REAL300000363771	0	41	-2.0	-119.56	381.06	5.56	-114.00
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=N1	REAL300000363772	0	41	-2.0	-127.36	374.33	5.13	-122.23
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CCCOC)C=C2)C=C1C(=O)[O-]	REAL300000363773	0	44	-2.0	-123.97	383.23	5.62	-118.35
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=N1	REAL300000363774	0	45	-2.0	-124.55	399.76	4.57	-119.98
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=N1	REAL300000363775	0	41	-2.0	-111.32	375.56	5.62	-105.70
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000363776	0	41	-2.0	-119.38	380.52	5.39	-113.99
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCCOC)C=C2)C=C1C(=O)[O-]	REAL300000363777	0	42	-2.0	-121.47	377.32	4.66	-116.81
COCCCN1C=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=N1	REAL300000363778	0	50	-2.0	-122.73	414.45	7.31	-115.42
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000363779	0	41	-2.0	-115.10	379.16	5.40	-109.70
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000363780	0	41	-2.0	-109.16	365.30	4.98	-104.18
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000363781	0	43	-2.0	-114.42	392.56	6.62	-107.80
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000363782	0	41	-2.0	-120.45	368.84	5.27	-115.18
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000363783	0	40	-2.0	-129.72	373.02	6.30	-123.42
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000363784	0	38	-2.0	-126.54	352.96	4.47	-122.07
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000363785	0	41	-2.0	-113.32	370.46	5.01	-108.31
COCCCN1C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000363786	0	44	-2.0	-131.49	390.34	6.56	-124.93
COCCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000363787	0	37	-2.0	-119.93	346.28	2.49	-117.44
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300000363788	0	42	-2.0	-113.63	377.50	4.24	-109.39
COCCCN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000363789	0	35	-2.0	-109.19	349.44	3.41	-105.78
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000363790	0	45	-2.0	-115.80	395.42	6.32	-109.48
COCCCN1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000363791	0	45	-2.0	-119.30	394.74	6.32	-112.98
CCC1=C(S(=O)(=O)[N-]C2=NN(CCCOC)C=C2)C=C(C(=O)[O-])O1	REAL300000363792	0	41	-2.0	-115.38	371.43	4.43	-110.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1NC(=O)C(C)(C)C	REAL300000363794	1	47	-2.0	-123.90	399.30	6.82	-117.08
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1NC(=O)C(C)(C)C	REAL300000363795	0	44	-2.0	-116.26	391.50	5.79	-110.47
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1NC(=O)C(C)(C)C	REAL300000363796	1	48	-2.0	-121.86	405.94	6.18	-115.68
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1NC(=O)C(C)(C)C	REAL300000363797	0	44	-2.0	-117.40	390.96	5.86	-111.54
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(NC(=O)C(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000363798	0	47	-2.0	-115.85	402.32	5.96	-109.89
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1NC(=O)C(C)(C)C	REAL300000363799	0	44	-2.0	-111.92	390.58	5.91	-106.01
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1NC(=O)C(C)(C)C	REAL300000363800	0	46	-2.0	-118.57	395.30	4.83	-113.74
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000363801	1	42	-2.0	-108.75	382.16	6.02	-102.73
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000363803	1	42	-2.0	-111.32	377.64	5.99	-105.33
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000363805	0	42	-2.0	-108.09	383.09	6.06	-102.03
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000363806	0	39	-2.0	-105.52	370.79	5.01	-100.51
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000363807	1	45	-2.0	-111.53	393.04	6.78	-104.75
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000363808	1	43	-2.0	-109.73	384.27	5.36	-104.37
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000363809	0	42	-2.0	-101.83	386.74	5.69	-96.14
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000363810	0	39	-2.0	-107.61	369.02	5.04	-102.57
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000363811	0	42	-2.0	-104.73	380.62	5.14	-99.59
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000363812	1	42	-2.0	-108.06	386.21	5.89	-102.17
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000363813	1	42	-2.0	-98.52	382.17	6.04	-92.48
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000363814	0	39	-2.0	-100.66	369.88	5.13	-95.53
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000363815	1	42	-2.0	-102.15	384.04	6.07	-96.08
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000363816	0	42	-2.0	-102.73	383.06	6.07	-96.66
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000363817	0	43	-2.0	-110.20	387.32	3.71	-106.49
COC(=O)N(C)CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000363817	1	43	-2.0	-108.43	386.52	4.50	-103.93
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000363818	1	45	-2.0	-102.42	399.53	6.79	-95.63
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000363819	1	45	-2.0	-109.25	391.44	6.74	-102.51
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CN(C)C(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000363821	1	46	-2.0	-111.02	405.66	6.22	-104.80
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000363823	0	42	-2.0	-116.27	381.29	6.03	-110.24
COC(=O)N(C)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000363824	0	41	-2.0	-114.13	373.80	4.11	-110.02
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CN(C)C(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000363825	0	45	-2.0	-104.52	399.74	5.99	-98.53
CC1=CC=CC2=C1CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000363853	0	41	-2.0	-113.65	348.00	8.57	-105.08
CC1=CC=CC2=C1CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000363878	0	39	-2.0	-112.75	329.19	6.79	-105.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC2CC2)C=C1	REAL300000363917	0	43	-2.0	-111.86	376.87	6.60	-105.26
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1	REAL300000363920	0	39	-2.0	-101.95	361.81	7.38	-94.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1	REAL300000363923	0	39	-2.0	-103.51	354.21	6.87	-96.64
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1	REAL300000363925	0	36	-2.0	-100.41	341.92	5.82	-94.59
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)C=C1C(=O)[O-]	REAL300000363928	1	40	-2.0	-104.62	355.38	6.16	-98.46
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1	REAL300000363930	0	39	-2.0	-96.63	357.84	6.48	-90.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=CS1	REAL300000363932	1	36	-2.0	-101.91	340.38	5.84	-96.07
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC2CC2)C=C1	REAL300000363936	0	46	-2.0	-112.20	399.17	7.36	-104.84
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(OCC3CC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000363937	0	42	-2.0	-108.96	383.66	7.25	-101.71
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000363939	0	39	-2.0	-100.23	351.77	5.94	-94.29
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1	REAL300000363940	0	43	-2.0	-107.36	377.70	5.89	-101.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C(Cl)C=C1F	REAL300000363941	1	39	-2.0	-98.68	366.32	7.39	-91.29
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC2CC2)C=C1	REAL300000363943	1	42	-2.0	-97.84	369.44	7.62	-90.22
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)C=C(C(=O)[O-])S1	REAL300000363946	1	39	-2.0	-103.77	357.34	6.69	-97.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)C(Cl)=C1	REAL300000363947	1	39	-2.0	-91.32	361.78	7.36	-83.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)S1	REAL300000363949	0	36	-2.0	-95.43	340.99	5.92	-89.51
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1	REAL300000363950	1	39	-2.0	-97.05	355.14	6.87	-90.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1F	REAL300000363951	0	42	-2.0	-104.89	374.50	7.50	-97.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)C(F)=C1	REAL300000363952	0	39	-2.0	-93.06	354.19	6.87	-86.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=CC(F)=C1F	REAL300000363955	1	39	-2.0	-95.21	359.56	6.90	-88.31
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1	REAL300000363956	1	41	-2.0	-91.18	376.92	7.47	-83.71
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1	REAL300000363957	0	40	-2.0	-106.32	358.45	4.52	-101.80
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OCC3CC3)C=C2)=C1	REAL300000363957	1	40	-2.0	-104.90	357.63	5.30	-99.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000363964	1	41	-2.0	-104.43	375.31	7.88	-96.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1	REAL300000363965	0	39	-2.0	-95.13	360.48	6.93	-88.20
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)C=C1C(=O)[O-]	REAL300000363967	0	42	-2.0	-104.62	370.21	7.40	-97.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1Cl	REAL300000363968	0	42	-2.0	-103.76	380.48	7.93	-95.83
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1	REAL300000363969	0	42	-2.0	-110.89	373.77	7.50	-103.39
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)C=C1C(=O)[O-]	REAL300000363974	1	43	-2.0	-105.87	376.75	7.03	-98.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1[N+](=O)[O-]	REAL300000363978	0	41	-2.0	-113.31	372.48	8.66	-104.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1F	REAL300000363979	0	39	-2.0	-110.12	352.39	6.84	-103.28
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C1	REAL300000363982	0	38	-2.0	-103.79	344.95	4.92	-98.87
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2CC2)C=C1	REAL300000363983	0	43	-2.0	-98.04	376.94	6.60	-91.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)=C(Cl)O1	REAL300000363984	0	36	-2.0	-94.03	348.88	5.78	-88.25
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000363987	0	42	-2.0	-100.20	370.86	6.80	-93.40
CC1=CC(OCC2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000363990	0	44	-2.0	-105.96	393.08	7.16	-98.80
CN(C1=CC(Cl)=CC(Cl)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000364024	0	32	-2.0	-104.82	324.71	6.00	-98.82
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000364044	0	37	-2.0	-111.80	343.91	6.57	-105.23
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000364045	0	37	-2.0	-101.84	339.35	6.54	-95.30
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000364046	0	37	-2.0	-114.61	339.37	6.53	-108.08
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000364047	0	41	-2.0	-118.76	367.51	6.33	-112.43
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000364048	0	41	-2.0	-100.49	370.82	7.83	-92.66
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000364049	0	40	-2.0	-115.97	355.39	7.07	-108.90
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000364050	0	37	-2.0	-108.72	352.44	7.11	-101.61
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000364051	0	37	-2.0	-110.37	351.89	6.93	-103.44
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000364052	0	43	-2.0	-115.75	372.48	7.87	-107.88
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000364053	0	37	-2.0	-111.04	344.85	6.60	-104.44
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000364054	0	43	-2.0	-99.60	382.94	8.13	-91.47
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000364055	0	34	-2.0	-108.89	332.56	5.56	-103.33
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000364056	0	40	-2.0	-113.69	354.81	7.33	-106.36
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000364057	0	41	-2.0	-99.25	370.44	6.82	-92.43
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000364058	0	38	-2.0	-113.02	346.02	5.89	-107.13
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000364059	1	41	-2.0	-114.14	363.15	5.37	-108.77
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000364060	0	37	-2.0	-105.07	348.48	6.22	-98.85
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000364061	0	43	-2.0	-115.04	370.82	7.85	-107.19
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000364062	0	34	-2.0	-110.18	331.03	5.57	-104.61
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000364063	0	41	-2.0	-120.53	366.66	6.60	-113.93
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000364064	0	46	-2.0	-115.56	392.59	8.53	-107.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)OC	REAL300000364065	0	43	-2.0	-110.35	364.99	8.07	-102.28
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000364066	0	44	-2.0	-120.57	389.80	7.10	-113.47
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000364067	0	39	-3.0	-193.05	367.77	7.10	-185.95
COC(=O)C1=CC(C)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000364067	1	40	-2.0	-109.92	365.98	7.02	-102.90
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000364068	0	44	-2.0	-118.46	383.61	8.44	-110.02
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000364069	0	37	-2.0	-107.36	342.37	5.67	-101.69
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000364070	0	41	-2.0	-117.33	368.29	5.63	-111.70
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000364071	0	44	-2.0	-99.82	390.53	7.53	-92.29
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000364072	0	40	-2.0	-104.57	360.08	7.36	-97.21
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000364073	0	41	-2.0	-98.65	376.68	6.88	-91.77
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000364074	0	44	-2.0	-121.26	388.52	7.51	-113.75
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000364075	0	37	-2.0	-110.23	347.99	6.43	-103.80
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000364076	0	37	-2.0	-99.03	352.42	7.10	-91.93
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000364077	0	37	-2.0	-101.24	343.91	6.58	-94.66
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000364078	0	34	-2.0	-103.74	331.63	5.66	-98.08
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000364079	0	37	-2.0	-105.39	345.79	6.60	-98.79
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000364080	0	40	-2.0	-112.76	365.12	7.23	-105.53
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000364081	0	37	-2.0	-101.62	344.83	6.61	-95.01
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000364082	0	37	-2.0	-99.32	351.88	6.94	-92.38
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000364083	0	40	-2.0	-106.20	368.82	7.75	-98.45
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000364084	0	37	-2.0	-103.38	350.20	6.63	-96.75
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000364085	0	39	-2.0	-99.46	367.56	7.20	-92.26
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000364086	0	38	-2.0	-111.83	349.09	4.24	-107.59
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000364087	0	40	-2.0	-104.62	361.54	7.32	-97.30
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000364088	0	40	-2.0	-111.76	349.40	7.18	-104.58
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000364089	0	40	-2.0	-113.39	364.21	7.19	-106.20
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000364090	0	40	-2.0	-101.45	354.78	7.32	-94.13
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000364091	0	43	-2.0	-118.16	372.25	7.60	-110.56
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000364092	0	39	-2.0	-112.46	365.95	7.63	-104.83
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000364093	0	37	-2.0	-103.10	351.11	6.66	-96.44
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000364094	0	43	-2.0	-116.14	373.85	7.92	-108.22
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000364095	0	40	-2.0	-112.35	360.85	7.13	-105.22
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000364096	0	40	-2.0	-110.70	371.15	7.67	-103.03
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000364097	0	40	-2.0	-121.15	364.40	7.23	-113.92
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000364098	0	43	-2.0	-116.80	373.34	7.72	-109.08
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000364099	0	44	-2.0	-118.40	389.85	6.67	-111.73
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000364100	0	40	-2.0	-104.73	365.63	7.71	-97.02
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000364101	0	40	-2.0	-112.32	370.60	7.49	-104.83
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000364102	0	41	-2.0	-114.40	367.40	6.76	-107.64
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000364103	0	40	-2.0	-109.20	373.14	7.60	-101.60
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000364104	0	40	-2.0	-103.65	359.44	7.18	-96.47
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000364105	0	40	-2.0	-110.81	359.32	7.35	-103.46
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000364106	0	39	-2.0	-122.52	363.11	8.39	-114.13
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000364107	0	37	-2.0	-120.22	343.01	6.56	-113.66
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000364108	0	40	-2.0	-107.38	364.33	7.21	-100.17
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000364109	0	43	-2.0	-123.51	380.41	8.65	-114.86
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000364110	0	36	-2.0	-112.70	335.58	4.66	-108.04
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000364111	0	41	-2.0	-105.95	367.57	6.33	-99.62
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000364112	0	34	-2.0	-101.72	339.47	5.51	-96.21
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000364113	0	44	-2.0	-107.75	385.50	8.42	-99.33
COC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000364114	0	44	-2.0	-112.87	383.46	8.40	-104.47
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000364115	0	40	-2.0	-105.98	357.65	6.43	-99.55
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000364116	1	39	-2.0	-118.37	367.41	7.93	-110.44
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000364117	1	39	-2.0	-106.34	362.87	7.91	-98.43
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000364118	1	39	-2.0	-121.20	362.88	7.90	-113.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)CC#N)C=C1C(=O)[O-]	REAL300000364119	1	42	-2.0	-118.87	378.99	8.43	-110.44
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000364120	0	39	-2.0	-115.38	368.22	7.97	-107.41
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000364121	0	36	-2.0	-112.27	355.93	6.92	-105.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)CC#N	REAL300000364122	1	42	-2.0	-121.14	378.32	8.69	-112.45
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000364123	0	40	-2.0	-118.90	369.53	7.25	-111.65
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)CC#N)=C1	REAL300000364124	0	39	-2.0	-108.88	372.02	7.59	-101.29
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000364125	0	36	-2.0	-116.34	354.53	6.94	-109.40
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)CC#N)C=C(C(=O)[O-])O1	REAL300000364126	0	39	-2.0	-113.81	365.88	7.04	-106.77
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)CC#N)C=C(C(=O)[O-])S1	REAL300000364127	0	39	-2.0	-117.35	371.50	7.80	-109.55
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000364128	0	39	-2.0	-105.41	367.39	7.94	-97.47
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000364129	0	36	-2.0	-108.93	355.00	7.03	-101.90
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000364130	0	39	-2.0	-108.81	369.29	7.97	-100.84
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000364131	0	39	-2.0	-105.63	368.35	7.98	-97.65
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000364132	0	40	-2.0	-116.55	372.46	5.62	-110.93
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000364133	0	42	-2.0	-109.62	385.06	8.67	-100.95
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)CC#N	REAL300000364134	1	42	-2.0	-114.02	372.78	8.52	-105.50
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)CC#N	REAL300000364135	1	42	-2.0	-106.45	378.29	8.68	-97.77
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)CC#N)C=C1C(=O)[O-]	REAL300000364136	0	43	-2.0	-120.25	390.90	8.12	-112.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)CC#N)=CC=C1C(=O)[O-]	REAL300000364137	1	42	-2.0	-108.39	382.92	8.54	-99.85
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000364138	0	39	-2.0	-121.67	366.52	7.93	-113.74
CC(CC#N)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000364139	0	38	-2.0	-116.10	359.09	6.02	-110.08
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)CC#N)C=C(C(=O)[O-])O1	REAL300000364140	0	42	-2.0	-113.36	385.01	7.89	-105.47
CN1N=CC2=C1N=C(NNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])NC2=O	REAL300000364173	0	36	-2.0	-98.36	338.12	2.64	-95.72
CN1N=CC2=C1N=C(N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)NC2=O	REAL300000364190	1	32	-2.0	-89.38	335.64	2.89	-86.49
CC(C)S(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000364192	1	43	-2.0	-109.13	389.23	4.70	-104.43
CC(C)S(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000364193	1	43	-2.0	-120.78	389.41	4.71	-116.07
CC(C)S(=O)(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000364194	0	42	-2.0	-119.03	385.62	2.84	-116.19
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000364195	1	36	-2.0	-106.46	351.88	7.50	-98.96
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000364196	1	36	-2.0	-96.64	347.33	7.47	-89.17
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000364197	1	36	-2.0	-109.06	347.35	7.46	-101.60
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SCCC#N	REAL300000364198	0	40	-2.0	-114.90	375.49	7.26	-107.64
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000364199	1	40	-2.0	-96.28	378.80	8.76	-87.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)C=C1C(=O)[O-]	REAL300000364200	1	39	-2.0	-111.85	368.38	7.33	-104.52
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000364201	0	36	-2.0	-104.93	360.42	8.04	-96.89
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000364202	1	36	-2.0	-104.87	359.85	7.86	-97.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)=C1C	REAL300000364203	1	42	-2.0	-112.29	380.46	8.79	-103.50
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000364204	0	36	-2.0	-106.76	352.82	7.53	-99.23
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000364205	1	42	-2.0	-95.53	390.92	9.05	-86.48
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000364206	0	33	-2.0	-103.51	340.53	6.48	-97.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SCCC#N	REAL300000364207	1	39	-2.0	-110.37	362.78	8.25	-102.12
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000364208	1	40	-2.0	-94.94	378.42	7.75	-87.19
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)C=C1C(=O)[O-]	REAL300000364209	0	37	-2.0	-107.34	354.00	6.81	-100.53
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SCCC#N	REAL300000364210	1	40	-2.0	-110.76	371.54	6.28	-104.48
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)=C1	REAL300000364211	0	36	-2.0	-99.62	356.49	7.15	-92.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)C=C1C(=O)[O-]	REAL300000364212	1	42	-2.0	-111.55	378.79	8.79	-102.76
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000364213	0	33	-2.0	-104.75	339.00	6.50	-98.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)C=C1C(=O)[O-]	REAL300000364214	1	40	-2.0	-114.77	374.64	7.53	-107.24
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SCCC#N	REAL300000364215	1	42	-2.0	-108.60	376.22	9.14	-99.46
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)C=C(C(=O)[O-])O1	REAL300000364216	0	36	-2.0	-103.37	350.36	6.60	-96.77
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SCCC#N	REAL300000364218	0	39	-2.0	-100.95	368.07	8.28	-92.67
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)C=C(C(=O)[O-])S1	REAL300000364219	0	36	-2.0	-106.81	355.97	7.36	-99.45
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000364220	0	36	-2.0	-94.04	360.40	8.03	-86.01
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000364221	0	36	-2.0	-96.23	351.86	7.51	-88.72
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000364222	0	33	-2.0	-98.38	339.60	6.60	-91.78
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000364223	0	36	-2.0	-100.00	353.75	7.53	-92.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)=C1F	REAL300000364224	0	39	-2.0	-108.19	373.12	8.17	-100.02
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000364225	0	36	-2.0	-96.04	352.81	7.54	-88.50
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000364226	1	36	-2.0	-94.20	359.83	7.87	-86.33
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000364227	0	36	-2.0	-98.17	358.17	7.56	-90.61
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000364228	0	37	-2.0	-109.32	357.06	5.17	-104.15
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000364229	1	39	-2.0	-100.37	369.52	8.24	-92.13
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SCCC#N	REAL300000364230	1	39	-2.0	-104.52	357.38	8.09	-96.43
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)=CC(C(=O)[O-])=C1F	REAL300000364231	1	39	-2.0	-107.85	372.18	8.12	-99.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SCCC#N	REAL300000364232	1	39	-2.0	-96.85	362.76	8.24	-88.61
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)=CC(C(=O)[O-])=C1C	REAL300000364233	1	42	-2.0	-112.09	380.22	8.53	-103.56
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000364234	0	36	-2.0	-98.37	359.08	7.59	-90.78
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)C=C1C(=O)[O-]	REAL300000364236	0	39	-2.0	-107.85	368.82	8.07	-99.78
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)C=C1C(=O)[O-]	REAL300000364238	1	42	-2.0	-110.87	381.31	8.65	-102.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)C=C1C(=O)[O-]	REAL300000364239	0	40	-2.0	-108.52	375.37	7.68	-100.84
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)=CC=C1C(=O)[O-]	REAL300000364240	1	39	-2.0	-98.31	367.40	8.11	-90.20
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SCCC#N	REAL300000364241	1	39	-2.0	-107.73	367.30	8.28	-99.45
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000364242	0	36	-2.0	-112.34	350.98	7.49	-104.85
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)C=C1C(=O)[O-]	REAL300000364243	0	39	-2.0	-102.63	372.35	7.51	-95.12
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000364244	0	35	-2.0	-106.91	343.56	5.58	-101.33
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SCCC#N	REAL300000364245	0	40	-2.0	-100.76	375.54	7.26	-93.50
N#CCCSC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000364246	0	33	-2.0	-97.18	347.45	6.43	-90.75
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SCCC#N)C=C(C(=O)[O-])O1	REAL300000364247	0	39	-2.0	-103.11	369.46	7.45	-95.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=C4CCCCN43)C=C2)C=C1	REAL300000364248	1	44	-2.0	-97.65	378.15	8.43	-89.22
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=C4CCCCN43)C=C2)=C1	REAL300000364249	1	44	-2.0	-109.30	378.16	8.42	-100.88
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=C4CCCCN43)C=C2)=C1	REAL300000364250	0	43	-2.0	-107.26	374.37	6.55	-100.71
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CC2=CSC=N2)C2=CC=CC=C2)=C1	REAL300000364267	0	38	-2.0	-109.70	358.42	5.93	-103.77
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000364277	1	41	-2.0	-91.35	379.28	4.37	-86.98
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000364278	1	34	-2.0	-107.82	327.34	5.81	-102.01
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000364279	0	42	-2.0	-108.37	382.42	6.87	-101.50
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000364280	1	34	-2.0	-97.92	322.79	5.79	-92.13
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000364281	1	34	-2.0	-110.37	322.80	5.78	-104.59
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000364282	0	38	-2.0	-115.34	350.94	5.58	-109.76
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000364283	1	38	-2.0	-97.30	354.27	7.08	-90.22
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000364284	1	37	-2.0	-111.55	338.82	6.32	-105.23
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000364285	0	34	-2.0	-105.46	335.87	6.35	-99.11
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000364286	1	34	-2.0	-106.16	335.32	6.17	-99.99
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000364287	1	40	-2.0	-112.74	355.48	7.14	-105.60
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000364288	0	34	-2.0	-107.20	328.28	5.84	-101.36
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000364289	1	40	-2.0	-96.44	366.39	7.36	-89.08
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000364290	0	31	-2.0	-104.64	315.98	4.80	-99.84
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000364291	1	37	-2.0	-110.61	338.23	6.56	-104.05
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000364292	1	38	-2.0	-96.00	353.88	6.07	-89.93
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000364293	0	35	-2.0	-108.79	329.45	5.14	-103.65
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000364295	0	34	-2.0	-100.77	331.91	5.47	-95.30
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000364296	1	40	-2.0	-112.20	353.87	7.13	-105.07
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000364297	0	31	-2.0	-106.06	314.45	4.81	-101.25
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000364298	1	42	-2.0	-110.84	381.11	5.59	-105.25
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000364299	1	38	-2.0	-116.21	350.09	5.85	-110.36
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000364300	1	44	-2.0	-114.49	378.04	8.41	-106.08
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000364301	1	43	-2.0	-112.84	376.70	7.79	-105.05
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000364302	1	40	-2.0	-108.84	352.95	7.50	-101.34
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000364303	0	41	-2.0	-114.67	373.23	6.34	-108.33
C#CCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000364304	0	37	-2.0	-114.55	357.92	6.21	-108.34
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000364304	1	36	-3.0	-186.06	351.21	6.35	-179.71
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000364305	1	41	-2.0	-114.83	367.04	7.68	-107.15
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000364306	0	34	-2.0	-103.77	325.81	4.92	-98.85
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000364307	1	40	-2.0	-115.14	364.98	5.55	-109.59
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000364308	0	38	-2.0	-111.64	351.79	4.87	-106.77
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000364309	1	42	-2.0	-97.36	376.43	6.39	-90.97
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000364310	0	34	-2.0	-102.12	340.39	6.38	-95.74
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000364311	1	38	-2.0	-94.46	369.91	6.61	-87.85
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000364312	1	41	-2.0	-96.48	373.96	6.76	-89.72
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000364313	1	37	-2.0	-101.22	343.51	6.60	-94.62
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000364314	1	38	-2.0	-95.50	360.10	6.13	-89.37
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)=C1	REAL300000364315	1	41	-2.0	-116.88	371.95	6.76	-110.12
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000364316	0	34	-2.0	-107.09	331.40	5.67	-101.42
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000364317	0	34	-2.0	-95.40	335.85	6.34	-89.06
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000364318	1	34	-2.0	-97.38	327.33	5.82	-91.56
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000364319	0	31	-2.0	-99.55	315.07	4.91	-94.64
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000364320	1	34	-2.0	-101.18	329.21	5.84	-95.34
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000364321	0	37	-2.0	-108.63	348.56	6.49	-102.14
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000364322	0	38	-2.0	-100.16	363.11	6.41	-93.75
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000364323	0	34	-2.0	-97.40	328.26	5.85	-91.55
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000364324	1	34	-2.0	-95.43	335.30	6.18	-89.25
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000364325	1	37	-2.0	-102.85	352.24	6.98	-95.87
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000364326	1	42	-2.0	-94.09	386.54	7.19	-86.90
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000364327	1	34	-2.0	-99.32	333.62	5.87	-93.45
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000364328	0	36	-2.0	-95.29	351.00	6.44	-88.85
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000364329	0	35	-2.0	-109.23	332.51	3.49	-105.74
C#CCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000364329	1	35	-2.0	-108.17	331.61	4.37	-103.80
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000364330	1	37	-2.0	-101.03	344.99	6.56	-94.47
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000364331	1	34	-2.0	-100.76	343.50	6.31	-94.45
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000364332	1	37	-2.0	-107.03	332.87	6.42	-100.61
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000364333	1	37	-2.0	-109.20	347.63	6.43	-102.77
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000364334	1	37	-2.0	-97.89	338.21	6.55	-91.34
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000364335	1	40	-2.0	-114.91	359.60	6.95	-107.96
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000364336	0	36	-2.0	-108.62	349.38	6.87	-101.75
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000364337	0	34	-2.0	-98.88	334.56	5.91	-92.97
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000364338	1	40	-2.0	-111.44	356.19	7.19	-104.25
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000364339	0	37	-2.0	-109.51	348.12	6.48	-103.03
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000364340	0	37	-2.0	-107.20	354.56	6.92	-100.28
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000364341	0	37	-2.0	-115.93	347.84	6.47	-109.46
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000364342	1	40	-2.0	-112.30	356.74	6.97	-105.33
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000364343	1	41	-2.0	-111.43	373.28	5.90	-105.53
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000364344	1	37	-2.0	-100.11	349.06	6.96	-93.15
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000364345	1	37	-2.0	-94.47	352.92	6.60	-87.87
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000364346	1	37	-2.0	-107.96	354.02	6.74	-101.22
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000364347	0	38	-2.0	-110.05	350.93	5.99	-104.06
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000364349	1	37	-2.0	-104.86	356.54	6.85	-98.01
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000364350	0	43	-2.0	-106.73	372.24	7.92	-98.81
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000364351	0	38	-2.0	-110.98	363.13	6.41	-104.57
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000364352	1	37	-2.0	-98.07	338.81	6.33	-91.74
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000364353	0	39	-2.0	-103.67	366.07	7.98	-95.69
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000364354	1	37	-2.0	-108.27	342.34	6.62	-101.65
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000364355	0	36	-2.0	-118.40	346.53	7.64	-110.76
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000364356	0	34	-2.0	-115.19	326.46	5.82	-109.37
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000364357	1	37	-2.0	-103.07	347.74	6.46	-96.61
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000364358	1	40	-2.0	-118.66	363.84	7.90	-110.76
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000364359	0	33	-2.0	-106.76	319.79	3.84	-102.92
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000364360	0	38	-2.0	-102.14	351.00	5.59	-96.55
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000364361	0	31	-2.0	-97.74	322.95	4.76	-92.98
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000364362	1	41	-2.0	-104.11	368.92	7.67	-96.44
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000364363	1	41	-2.0	-108.70	368.24	7.67	-101.03
C#CCOC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000364364	0	37	-2.0	-103.52	344.93	5.77	-97.75
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300000364365	1	41	-2.0	-88.51	379.30	4.34	-84.17
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1	REAL300000364367	0	42	-2.0	-105.76	382.46	6.86	-98.90
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000364370	0	38	-2.0	-112.57	350.98	5.56	-107.01
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000364373	0	34	-2.0	-103.97	335.91	6.35	-97.62
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000364376	0	34	-2.0	-105.44	328.32	5.84	-99.60
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000364378	0	31	-2.0	-102.29	316.03	4.79	-97.50
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000364381	1	35	-2.0	-105.42	329.49	5.12	-100.30
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000364383	0	34	-2.0	-98.45	331.98	5.46	-92.99
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000364385	1	31	-2.0	-103.71	314.49	4.81	-98.90
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000364391	0	41	-2.0	-112.88	373.28	6.32	-106.56
C#CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000364392	0	37	-2.0	-111.28	353.94	6.29	-104.99
C#CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000364394	0	34	-2.0	-101.10	325.88	4.91	-96.19
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000364396	0	38	-2.0	-109.02	351.81	4.86	-104.16
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000364398	1	34	-2.0	-99.53	340.43	6.36	-93.17
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000364401	1	37	-2.0	-98.68	343.55	6.59	-92.09
C#CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000364404	1	34	-2.0	-104.58	331.47	5.66	-98.92
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000364405	1	34	-2.0	-93.13	335.89	6.34	-86.79
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000364407	0	31	-2.0	-96.31	315.10	4.88	-91.43
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000364408	1	34	-2.0	-98.82	329.25	5.84	-92.98
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000364409	0	37	-2.0	-106.83	348.60	6.48	-100.35
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000364410	0	38	-2.0	-96.97	363.15	6.40	-90.57
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000364411	0	34	-2.0	-94.92	328.30	5.85	-89.07
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1	REAL300000364414	1	42	-2.0	-91.29	386.58	7.19	-84.10
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000364415	1	34	-2.0	-97.13	333.66	5.87	-91.26
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000364416	1	36	-2.0	-92.99	351.03	6.44	-86.55
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000364417	0	35	-2.0	-107.06	332.55	3.48	-103.58
C#CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000364417	1	35	-2.0	-107.19	331.75	4.28	-102.91
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000364424	1	36	-2.0	-105.36	349.42	6.84	-98.52
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000364425	0	34	-2.0	-97.00	334.60	5.90	-91.10
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000364427	0	37	-2.0	-106.52	344.32	6.37	-100.15
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000364428	0	37	-2.0	-105.75	354.60	6.91	-98.84
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000364429	0	37	-2.0	-112.40	347.85	6.47	-105.93
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000364432	1	37	-2.0	-98.09	353.38	7.02	-91.07
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000364435	1	38	-2.0	-106.72	350.86	5.99	-100.73
C#CCOC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1	REAL300000364438	1	43	-2.0	-104.36	372.27	7.90	-96.46
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1	REAL300000364439	1	38	-2.0	-108.33	363.16	6.41	-101.92
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300000364441	0	39	-2.0	-99.69	363.56	7.92	-91.77
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000364443	0	36	-2.0	-114.06	346.59	7.63	-106.43
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000364444	0	34	-2.0	-110.98	326.50	5.79	-105.19
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000364445	1	37	-2.0	-100.57	347.78	6.44	-94.13
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000364446	1	40	-2.0	-116.08	363.87	7.89	-108.19
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000364447	0	33	-2.0	-105.58	319.06	3.89	-101.69
C#CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000364448	0	38	-2.0	-98.90	351.05	5.56	-93.34
C#CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000364449	0	31	-2.0	-94.92	322.99	4.75	-90.17
C#CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000364452	0	37	-2.0	-101.00	344.97	5.77	-95.23
NC(=O)C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000364461	1	39	-2.0	-98.95	359.13	3.36	-95.59
NC(=O)C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000364462	0	39	-2.0	-111.40	359.16	3.36	-108.04
NC(=O)C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000364463	0	36	-2.0	-105.96	352.34	2.37	-103.59
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(N)=O)=N2)C=C1C(=O)[O-]	REAL300000364464	0	40	-2.0	-108.96	365.80	2.71	-106.25
NC(=O)C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000364465	0	36	-2.0	-107.20	350.80	2.39	-104.81
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(N)=O)=N2)C=C(C(=O)[O-])O1	REAL300000364466	0	39	-2.0	-104.69	362.16	2.49	-102.20
NC(=O)C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000364467	0	36	-2.0	-100.90	351.41	2.49	-98.41
NC(=O)C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000364468	0	38	-2.0	-109.59	355.36	1.48	-108.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCC3=CC=CC=C3)N=C2)C=C1	REAL300000364469	1	44	-2.0	-93.98	396.06	6.45	-87.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCCC3=CC=CC=C3)N=C2)=C1	REAL300000364470	0	44	-2.0	-106.14	396.09	6.44	-99.70
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCCC3=CC=CC=C3)N=C2)=C1	REAL300000364471	0	43	-2.0	-103.56	392.30	4.57	-98.99
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000364472	1	41	-2.0	-111.44	367.32	8.45	-102.99
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000364473	1	41	-2.0	-101.36	362.78	8.43	-92.93
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000364474	1	41	-2.0	-114.38	362.79	8.42	-105.96
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)C=C21	REAL300000364475	0	45	-2.0	-119.88	390.93	8.22	-111.66
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C21	REAL300000364476	1	45	-2.0	-100.72	394.24	9.72	-91.00
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000364477	1	44	-2.0	-115.96	378.80	8.96	-107.00
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C21	REAL300000364478	0	41	-2.0	-109.67	375.85	8.99	-100.68
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000364479	1	41	-2.0	-110.00	375.29	8.81	-101.19
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C21	REAL300000364480	1	47	-2.0	-116.80	395.18	9.74	-107.06
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000364481	0	41	-2.0	-111.65	368.26	8.49	-103.16
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C21	REAL300000364482	1	47	-2.0	-100.10	406.35	10.01	-90.09
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000364483	0	38	-2.0	-108.45	355.97	7.45	-101.00
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C21	REAL300000364484	1	44	-2.0	-114.90	378.22	9.22	-105.68
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C21	REAL300000364485	1	45	-2.0	-99.50	393.86	8.71	-90.79
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C21	REAL300000364486	0	42	-2.0	-112.67	369.43	7.78	-104.89
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C21	REAL300000364488	0	41	-2.0	-104.54	371.90	8.11	-96.43
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=C21	REAL300000364489	1	47	-2.0	-116.55	393.86	9.77	-106.78
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000364490	0	38	-2.0	-109.90	354.44	7.46	-102.44
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OC)C(C(=O)[O-])=C3)C=C21	REAL300000364491	1	45	-2.0	-120.19	390.08	8.49	-111.70
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3CC)C=C21	REAL300000364492	1	47	-2.0	-112.95	392.93	10.16	-102.79
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C21	REAL300000364493	1	48	-2.0	-119.34	407.03	10.32	-109.02
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C21	REAL300000364494	0	41	-2.0	-107.52	365.79	7.57	-99.95
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C21	REAL300000364495	0	45	-2.0	-115.64	391.77	7.52	-108.12
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C21	REAL300000364496	1	44	-2.0	-105.20	383.50	9.25	-95.95
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C21	REAL300000364497	0	41	-2.0	-110.97	372.48	8.32	-102.65
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C21	REAL300000364498	0	41	-2.0	-98.86	375.84	8.98	-89.88
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000364499	1	41	-2.0	-100.65	367.31	8.46	-92.19
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000364500	0	38	-2.0	-103.23	355.06	7.55	-95.68
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000364501	1	41	-2.0	-105.03	369.19	8.49	-96.54
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C21	REAL300000364502	0	44	-2.0	-113.14	388.54	9.13	-104.01
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000364503	0	41	-2.0	-101.00	368.25	8.49	-92.51
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C21	REAL300000364504	1	41	-2.0	-98.81	375.29	8.82	-89.99
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000364505	1	41	-2.0	-102.95	373.60	8.52	-94.43
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000364506	0	42	-2.0	-113.70	372.50	6.12	-107.58
CCCN1C=CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000364506	1	42	-2.0	-110.20	361.53	7.01	-103.19
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000364507	1	44	-2.0	-105.01	384.95	9.21	-95.80
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C21	REAL300000364508	1	44	-2.0	-110.83	372.85	9.06	-101.77
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000364509	1	44	-2.0	-112.95	387.62	9.07	-103.88
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C21	REAL300000364510	1	44	-2.0	-101.33	378.20	9.20	-92.13
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000364511	1	47	-2.0	-118.94	400.29	9.62	-109.32
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C21	REAL300000364512	0	41	-2.0	-103.02	374.54	8.55	-94.47
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=C21	REAL300000364513	1	47	-2.0	-115.05	397.26	9.82	-105.23
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C21	REAL300000364514	0	44	-2.0	-114.00	388.10	9.12	-104.88
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C21	REAL300000364515	0	44	-2.0	-120.04	387.80	9.11	-110.93
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC)C(C(=O)[O-])=C3)C=C21	REAL300000364516	1	47	-2.0	-116.69	396.75	9.61	-107.08
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CN(CC)C(C(=O)[O-])=C3)C=C21	REAL300000364517	0	45	-2.0	-113.90	390.72	8.63	-105.27
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C21	REAL300000364518	1	44	-2.0	-101.63	378.79	8.97	-92.66
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C21	REAL300000364519	1	44	-2.0	-111.86	382.74	9.24	-102.62
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000364520	0	41	-2.0	-119.18	366.45	8.46	-110.72
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000364521	1	44	-2.0	-107.14	387.72	9.10	-98.04
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000364522	0	40	-2.0	-112.22	359.00	6.56	-105.66
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3OC)C=C21	REAL300000364523	0	45	-2.0	-105.93	390.98	8.23	-97.70
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000364524	0	38	-2.0	-101.41	362.93	7.40	-94.01
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C21	REAL300000364525	1	48	-2.0	-107.99	408.91	10.31	-97.68
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C21	REAL300000364526	1	48	-2.0	-112.17	408.22	10.31	-101.86
CCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=C(CC)OC(C(=O)[O-])=C3)C=C21	REAL300000364527	0	44	-2.0	-107.29	384.92	8.42	-98.87
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1N1C=NN=N1	REAL300000364530	1	37	-2.0	-100.71	341.13	4.72	-95.99
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1N1C=NN=N1	REAL300000364532	0	37	-2.0	-97.90	346.60	4.78	-93.12
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1N1C=NN=N1	REAL300000364533	0	34	-2.0	-95.61	334.31	3.73	-91.88
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1N1C=NN=N1	REAL300000364535	1	38	-2.0	-99.28	347.77	4.07	-95.21
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1N1C=NN=N1	REAL300000364536	0	37	-2.0	-91.95	350.24	4.40	-87.55
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1N1C=NN=N1	REAL300000364537	1	34	-2.0	-96.86	332.78	3.75	-93.11
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1N1C=NN=N1	REAL300000364538	0	37	-2.0	-96.04	344.14	3.85	-92.19
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1N1C=NN=N1	REAL300000364539	1	37	-2.0	-99.14	349.73	4.61	-94.53
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1N1C=NN=N1	REAL300000364540	1	37	-2.0	-89.55	345.65	4.76	-84.79
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1N1C=NN=N1	REAL300000364541	0	34	-2.0	-91.00	333.40	3.85	-87.15
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1N1C=NN=N1	REAL300000364542	1	37	-2.0	-92.13	347.53	4.78	-87.35
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1N1C=NN=N1	REAL300000364543	0	37	-2.0	-88.66	346.59	4.79	-83.87
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1N1C=NN=N1	REAL300000364544	0	38	-2.0	-101.50	350.84	2.43	-99.07
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1N1C=NN=N1	REAL300000364544	1	38	-2.0	-103.95	350.03	3.22	-100.73
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1N1C=NN=N1	REAL300000364545	1	40	-2.0	-92.73	363.29	5.49	-87.24
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C(N3C=NN=N3)=C2)C=C1C(=O)[O-]	REAL300000364548	1	41	-2.0	-100.48	369.14	4.93	-95.55
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1N1C=NN=N1	REAL300000364550	0	37	-2.0	-103.89	344.74	4.74	-99.15
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1N1C=NN=N1	REAL300000364551	0	36	-2.0	-98.09	337.34	2.84	-95.25
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1N1C=NN=N1	REAL300000364552	0	34	-2.0	-89.87	341.28	3.70	-86.17
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C(N3C=NN=N3)=C2)C=C(C(=O)[O-])O1	REAL300000364553	0	40	-2.0	-95.97	363.26	4.70	-91.27
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)=N1	REAL300000364554	1	39	-2.0	-112.21	360.95	6.97	-105.24
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=N1	REAL300000364555	1	39	-2.0	-102.08	356.39	6.94	-95.14
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000364556	1	39	-2.0	-114.84	356.40	6.93	-107.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CC(C)=N2)=C1	REAL300000364557	0	43	-2.0	-120.05	384.54	6.73	-113.32
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)=N1	REAL300000364558	1	43	-2.0	-101.44	387.87	8.23	-93.21
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000364559	1	42	-2.0	-116.08	372.41	7.47	-108.61
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=C2)=N1	REAL300000364560	1	45	-2.0	-117.27	389.08	8.29	-108.98
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)=N1	REAL300000364561	0	39	-2.0	-111.83	361.87	7.00	-104.83
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2)=N1	REAL300000364562	1	45	-2.0	-100.65	399.98	8.53	-92.12
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=N1	REAL300000364563	0	36	-2.0	-108.93	349.58	5.95	-102.98
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2)=N1	REAL300000364564	1	42	-2.0	-115.12	371.83	7.72	-107.40
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000364566	0	40	-2.0	-113.33	363.05	6.28	-107.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C3=NC(C)=CC=N3)=CC=C2)=C1	REAL300000364568	0	39	-2.0	-105.10	365.52	6.62	-98.48
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=N1	REAL300000364570	0	36	-2.0	-110.45	348.05	5.97	-104.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CC(C)=N2)=C1	REAL300000364572	1	45	-2.0	-113.22	386.55	8.66	-104.56
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NC(C)=CC=N3)=CC=C2)C=C(C(=O)[O-])O1	REAL300000364573	0	39	-2.0	-108.04	359.41	6.08	-101.96
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CC(C)=N3)=C2)=C1	REAL300000364574	0	43	-2.0	-116.11	385.38	6.02	-110.09
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NC(C)=CC=N3)=CC=C2)C=C(C(=O)[O-])S1	REAL300000364575	0	39	-2.0	-111.38	366.09	6.83	-104.55
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)=N1	REAL300000364576	1	39	-2.0	-101.49	360.92	6.97	-94.52
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=N1	REAL300000364577	0	36	-2.0	-103.80	348.67	6.07	-97.73
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000364578	1	39	-2.0	-105.51	362.80	7.00	-98.51
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)=N1	REAL300000364579	0	39	-2.0	-101.66	361.86	7.01	-94.65
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)=N1	REAL300000364580	0	40	-2.0	-113.78	366.10	4.66	-109.12
CC1=CC=NC(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)=N1	REAL300000364580	1	40	-2.0	-112.31	365.33	5.44	-106.87
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)=N1	REAL300000364581	1	42	-2.0	-105.39	378.58	7.72	-97.67
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)=N1	REAL300000364582	1	42	-2.0	-111.51	366.47	7.57	-103.94
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000364584	1	45	-2.0	-118.03	389.28	8.00	-110.03
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CC(C)=N3)=C2)C=C1C(=O)[O-]	REAL300000364586	1	45	-2.0	-116.78	390.64	8.12	-108.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CC(C)=N3)=C2)C=C1C(=O)[O-]	REAL300000364587	0	43	-2.0	-114.59	384.42	7.15	-107.44
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2)=N1	REAL300000364588	1	42	-2.0	-102.26	372.40	7.48	-94.78
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)=N1	REAL300000364589	0	39	-2.0	-119.70	360.01	6.96	-112.74
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=N1	REAL300000364590	0	38	-2.0	-111.34	353.38	4.99	-106.35
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CC(C)=N2)=C1	REAL300000364591	0	43	-2.0	-106.44	384.60	6.73	-99.71
CC1=CC=NC(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)=N1	REAL300000364592	0	36	-2.0	-102.04	356.54	5.92	-96.12
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CC(C)=N3)=C2)C=C(C(=O)[O-])O1	REAL300000364593	0	42	-2.0	-107.70	378.53	6.93	-100.77
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000364594	1	39	-2.0	-109.19	360.84	6.96	-102.23
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2)=N1	REAL300000364595	1	39	-2.0	-99.45	356.29	6.94	-92.51
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300000364596	1	39	-2.0	-112.05	356.31	6.93	-105.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CC(C)=N2)C=C1	REAL300000364597	0	43	-2.0	-117.64	384.45	6.73	-110.91
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2)=N1	REAL300000364598	1	43	-2.0	-99.09	387.76	8.23	-90.86
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000364599	1	42	-2.0	-113.21	372.34	7.47	-105.74
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2)=N1	REAL300000364600	1	45	-2.0	-115.21	388.97	8.29	-106.92
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)=N1	REAL300000364601	0	39	-2.0	-109.40	361.78	7.00	-102.40
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2)=N1	REAL300000364602	1	45	-2.0	-98.47	399.88	8.53	-89.94
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)=N1	REAL300000364603	0	36	-2.0	-106.16	349.48	5.95	-100.21
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2)=N1	REAL300000364604	1	42	-2.0	-113.13	371.73	7.72	-105.41
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2)=N1	REAL300000364605	1	43	-2.0	-97.79	387.38	7.22	-90.57
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000364606	0	40	-2.0	-110.42	362.96	6.28	-104.14
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C=C2)=N1	REAL300000364607	1	43	-2.0	-113.49	380.51	5.76	-107.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NC(C)=CC=N3)C=C2)=C1	REAL300000364608	0	39	-2.0	-102.32	365.43	6.62	-95.70
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=C2)=N1	REAL300000364609	1	45	-2.0	-115.69	391.75	8.37	-107.32
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)=N1	REAL300000364610	0	36	-2.0	-107.49	347.95	5.98	-101.51
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CC(C)=N3)C=C2)C=C1C(=O)[O-]	REAL300000364611	1	43	-2.0	-117.91	383.59	7.00	-110.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CC(C)=N2)C=C1	REAL300000364612	1	45	-2.0	-111.66	386.45	8.67	-102.99
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NC(C)=CC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000364613	0	39	-2.0	-105.90	359.34	6.08	-99.82
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CC(C)=N3)C=C2)=C1	REAL300000364614	0	43	-2.0	-113.20	385.28	6.02	-107.18
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NC(C)=CC=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000364615	0	39	-2.0	-109.58	364.92	6.83	-102.75
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)=N1	REAL300000364616	1	39	-2.0	-98.95	360.84	6.97	-91.98
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)=N1	REAL300000364617	0	36	-2.0	-101.16	348.56	6.06	-95.10
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300000364618	1	39	-2.0	-102.78	362.72	7.00	-95.78
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)=N1	REAL300000364619	0	39	-2.0	-98.81	361.77	7.01	-91.80
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)=N1	REAL300000364620	0	40	-2.0	-112.13	366.02	4.65	-107.48
CC1=CC=NC(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)=N1	REAL300000364620	1	40	-2.0	-111.33	365.24	5.44	-105.89
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)=N1	REAL300000364621	1	42	-2.0	-103.67	378.48	7.72	-95.95
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2)=N1	REAL300000364622	1	42	-2.0	-109.47	369.59	7.69	-101.78
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C2)=N1	REAL300000364623	1	42	-2.0	-99.68	371.72	7.72	-91.96
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000364624	1	45	-2.0	-114.78	389.18	8.00	-106.78
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=C2)=N1	REAL300000364625	1	45	-2.0	-112.58	389.69	8.34	-104.24
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CC(C)=N3)C=C2)C=C1C(=O)[O-]	REAL300000364626	1	45	-2.0	-113.58	390.54	8.12	-105.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CC(C)=N3)C=C2)C=C1C(=O)[O-]	REAL300000364627	0	43	-2.0	-111.67	384.32	7.16	-104.51
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2)=N1	REAL300000364628	1	42	-2.0	-99.34	372.31	7.48	-91.86
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)=N1	REAL300000364629	0	39	-2.0	-116.12	359.92	6.96	-109.16
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=N1	REAL300000364630	0	38	-2.0	-109.63	352.51	5.06	-104.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CC(C)=N2)C=C1	REAL300000364631	0	43	-2.0	-103.65	384.51	6.74	-96.91
CC1=CC=NC(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)=N1	REAL300000364632	0	36	-2.0	-99.70	356.45	5.91	-93.79
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CC(C)=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000364633	0	42	-2.0	-105.77	378.43	6.93	-98.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)=CC=C1F	REAL300000364634	1	28	-2.0	-98.33	297.22	5.70	-92.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)C=C1	REAL300000364635	1	28	-2.0	-88.51	292.67	5.68	-82.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)=C1	REAL300000364636	1	28	-2.0	-100.60	292.68	5.67	-94.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)C=C1C(=O)[O-]	REAL300000364637	1	31	-2.0	-102.88	312.75	6.31	-96.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)=C1	REAL300000364638	0	28	-2.0	-98.17	298.16	5.74	-92.43
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)=C1	REAL300000364639	0	25	-2.0	-95.00	285.86	4.69	-90.31
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Br)C(F)=C1	REAL300000364640	1	31	-2.0	-98.03	308.11	6.45	-91.58
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)C=C1C(=O)[O-]	REAL300000364641	0	29	-2.0	-98.95	299.33	5.03	-93.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)=C1	REAL300000364642	0	28	-2.0	-88.14	301.80	5.36	-82.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)=CS1	REAL300000364643	0	25	-2.0	-96.48	284.33	4.71	-91.77
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000364644	0	28	-2.0	-95.33	295.69	4.81	-90.52
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000364645	0	28	-2.0	-98.92	301.28	5.56	-93.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)C=C1F	REAL300000364646	1	28	-2.0	-88.18	297.20	5.71	-82.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)S1	REAL300000364647	0	25	-2.0	-90.08	284.95	4.80	-85.28
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)=C1	REAL300000364648	1	28	-2.0	-91.59	299.08	5.74	-85.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)C(F)=C1	REAL300000364649	0	28	-2.0	-87.63	298.14	5.74	-81.89
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)=C1	REAL300000364650	0	29	-2.0	-101.57	302.39	3.38	-98.19
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(Br)C(F)=C2)=C1	REAL300000364650	1	29	-2.0	-101.97	301.56	4.18	-97.79
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)C=C1	REAL300000364651	1	31	-2.0	-92.17	314.86	6.45	-85.72
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Br)C(F)=C1	REAL300000364652	1	31	-2.0	-96.40	302.75	6.31	-90.09
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Br)C(F)=C1	REAL300000364653	1	31	-2.0	-89.21	308.09	6.44	-82.77
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)C=C1C(=O)[O-]	REAL300000364654	0	32	-2.0	-100.22	320.70	5.88	-94.34
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000364655	1	31	-2.0	-88.74	308.68	6.22	-82.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)=C1F	REAL300000364656	0	28	-2.0	-101.55	296.34	5.71	-95.84
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)=C1	REAL300000364657	0	27	-2.0	-93.80	289.66	3.73	-90.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)=C(Cl)O1	REAL300000364658	0	25	-2.0	-89.03	292.83	4.66	-84.37
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000364659	0	31	-2.0	-95.50	314.81	5.66	-89.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC=C1F	REAL300000364660	1	36	-2.0	-104.57	330.03	4.22	-100.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1	REAL300000364661	1	36	-2.0	-95.01	325.49	4.21	-90.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC=C1	REAL300000364662	1	36	-2.0	-106.97	325.50	4.20	-102.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC(=O)NC2=C1	REAL300000364663	0	40	-2.0	-111.87	353.64	4.00	-107.87
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1	REAL300000364664	1	40	-2.0	-94.43	356.96	5.50	-88.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000364665	1	39	-2.0	-109.45	345.57	4.85	-104.60
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1	REAL300000364666	0	36	-2.0	-102.28	338.57	4.77	-97.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC=C1Cl	REAL300000364667	1	36	-2.0	-102.89	338.00	4.58	-98.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1C	REAL300000364668	1	42	-2.0	-109.62	358.18	5.55	-104.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1	REAL300000364669	0	36	-2.0	-103.93	330.98	4.26	-99.67
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1	REAL300000364670	1	42	-2.0	-93.50	369.06	5.78	-87.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1	REAL300000364671	0	33	-2.0	-101.45	318.68	3.22	-98.23
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC(=O)NC2=C1	REAL300000364672	1	39	-2.0	-107.47	340.93	4.98	-102.49
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1	REAL300000364673	1	40	-2.0	-93.11	356.58	4.49	-88.62
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000364674	0	37	-2.0	-105.54	332.14	3.56	-101.98
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1	REAL300000364676	0	36	-2.0	-97.78	334.61	3.89	-93.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CS1	REAL300000364678	0	33	-2.0	-102.87	317.15	3.24	-99.63
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC(=O)NC2=C1	REAL300000364680	1	45	-2.0	-109.49	379.40	6.20	-103.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC(=O)NC2=C1	REAL300000364681	1	42	-2.0	-105.77	355.64	5.92	-99.85
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC(=O)NC2=C1	REAL300000364682	0	43	-2.0	-112.75	375.93	4.77	-107.98
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3CCC(=O)NC3=C2)=CC(C(=O)[O-])=C1	REAL300000364683	0	39	-2.0	-111.15	356.37	4.77	-106.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC(C(=O)[O-])=C1	REAL300000364683	1	38	-3.0	-182.32	353.91	4.77	-177.55
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1	REAL300000364684	1	43	-2.0	-111.54	369.76	6.11	-105.43
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C(C(=O)[O-])O1	REAL300000364685	0	36	-2.0	-100.98	328.51	3.34	-97.64
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1	REAL300000364686	0	40	-2.0	-108.30	354.49	3.29	-105.01
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1	REAL300000364687	0	36	-2.0	-99.13	343.09	4.80	-94.33
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC(=O)NC2=C1	REAL300000364689	1	39	-2.0	-98.31	346.21	5.02	-93.29
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1F	REAL300000364690	1	40	-2.0	-92.70	362.79	4.55	-88.15
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000364691	1	43	-2.0	-113.54	374.63	5.17	-108.37
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C(C(=O)[O-])S1	REAL300000364692	0	36	-2.0	-104.03	335.19	4.09	-99.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C(Cl)=C1	REAL300000364693	0	36	-2.0	-92.54	338.55	4.76	-87.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1F	REAL300000364694	1	36	-2.0	-94.50	330.02	4.24	-90.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)S1	REAL300000364695	0	33	-2.0	-96.60	317.77	3.33	-93.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC(F)=C1	REAL300000364696	1	36	-2.0	-98.02	331.90	4.27	-93.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1F	REAL300000364697	0	39	-2.0	-105.29	351.26	4.91	-100.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C(F)=C1	REAL300000364698	0	36	-2.0	-94.36	330.96	4.27	-90.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1Cl	REAL300000364699	1	36	-2.0	-92.53	337.98	4.60	-87.93
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC(=O)NC2=C1	REAL300000364700	1	39	-2.0	-99.95	354.94	5.40	-94.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC(F)=C1F	REAL300000364701	1	36	-2.0	-96.39	336.32	4.29	-92.10
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1	REAL300000364702	0	38	-2.0	-92.35	353.69	4.87	-87.48
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1	REAL300000364703	0	37	-2.0	-106.32	335.21	1.92	-104.40
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CCC(=O)NC3=C2)=C1	REAL300000364703	1	37	-2.0	-105.67	334.43	2.71	-102.96
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1	REAL300000364704	1	39	-2.0	-97.89	347.67	4.98	-92.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC(Cl)=C1F	REAL300000364705	1	36	-2.0	-97.76	346.21	4.73	-93.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CCC(=O)NC2=C1	REAL300000364706	1	39	-2.0	-103.58	335.57	4.84	-98.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC(C(=O)[O-])=C1F	REAL300000364707	1	39	-2.0	-105.97	350.33	4.85	-101.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC(C(=O)[O-])=C1C	REAL300000364709	1	42	-2.0	-111.55	362.30	5.37	-106.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC=C1[N+](=O)[O-]	REAL300000364710	0	38	-2.0	-105.61	352.05	5.30	-100.31
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1	REAL300000364711	0	36	-2.0	-95.79	337.25	4.33	-91.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000364713	0	39	-2.0	-106.16	350.82	4.90	-101.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1Cl	REAL300000364714	0	39	-2.0	-104.00	357.26	5.33	-98.67
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1	REAL300000364715	0	39	-2.0	-112.28	350.53	4.89	-107.39
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000364716	1	42	-2.0	-108.79	359.43	5.38	-103.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1CC(=O)[O-]	REAL300000364717	1	43	-2.0	-108.32	375.96	4.33	-103.99
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2CCC(=O)NC2=C1	REAL300000364718	1	39	-2.0	-96.86	351.76	5.38	-91.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000364719	1	39	-2.0	-104.68	356.72	5.16	-99.52
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000364720	0	40	-2.0	-106.76	353.52	4.42	-102.34
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000364721	1	39	-2.0	-101.66	359.27	5.26	-96.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC=C1C(=O)[O-]	REAL300000364722	1	39	-2.0	-95.09	341.50	4.75	-90.34
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCC(=O)NC2=C1	REAL300000364723	1	39	-2.0	-105.33	345.03	5.03	-100.30
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC=C1	REAL300000364724	0	38	-2.0	-114.53	349.25	6.05	-108.48
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC=C1	REAL300000364725	0	36	-2.0	-111.50	329.16	4.24	-107.26
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000364726	1	39	-2.0	-99.85	350.45	4.88	-94.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=CC2=CC=CC=C21	REAL300000364727	1	42	-2.0	-115.24	366.54	6.32	-108.92
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C1	REAL300000364728	0	35	-2.0	-104.64	321.72	2.34	-102.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCC(=O)NC2=C1	REAL300000364729	0	40	-2.0	-99.02	353.70	4.00	-95.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)=C(Cl)O1	REAL300000364730	0	33	-2.0	-95.02	325.64	3.18	-91.84
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCC(=O)NC4=C3)C=C2)CC1	REAL300000364731	1	43	-2.0	-101.09	371.57	6.08	-95.01
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCC(=O)NC4=C3)C=C2C1	REAL300000364732	1	43	-2.0	-105.16	370.94	6.09	-99.07
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCC(=O)NC3=C2)C=C(C(=O)[O-])O1	REAL300000364733	0	39	-2.0	-100.81	347.63	4.19	-96.62
CC1CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)CCO1	REAL300000364738	0	44	-2.0	-102.99	380.33	4.80	-98.19
CC1CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)CCO1	REAL300000364739	0	41	-2.0	-99.98	368.04	3.75	-96.23
CC1CN(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)CCO1	REAL300000364741	1	45	-2.0	-104.20	381.50	4.09	-100.11
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3CCOC(C)C3)C=C2)=C1	REAL300000364742	0	44	-2.0	-96.21	383.99	4.41	-91.80
CC1CN(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)CCO1	REAL300000364743	1	41	-2.0	-101.49	366.50	3.77	-97.72
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC(C)C3)C=C2)C=C(C(=O)[O-])O1	REAL300000364744	0	44	-2.0	-99.73	377.86	3.87	-95.86
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC(C)C3)C=C2)C=C(C(=O)[O-])S1	REAL300000364745	1	44	-2.0	-103.23	383.48	4.63	-98.60
CC1CN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)CCO1	REAL300000364747	0	41	-2.0	-95.03	367.13	3.87	-91.16
CC1CN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)CCO1	REAL300000364749	0	44	-2.0	-92.66	380.32	4.81	-87.85
CC1CN(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)CCO1	REAL300000364750	0	45	-2.0	-104.27	383.76	3.24	-101.03
CC1CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)CCO1	REAL300000364750	1	45	-2.0	-105.68	384.57	2.45	-103.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC(C)C3)C=C2)C=C1C(=O)[O-]	REAL300000364754	1	48	-2.0	-105.45	402.87	4.95	-100.50
CC1CN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)CCO1	REAL300000364756	0	44	-2.0	-109.88	378.47	4.76	-105.12
CC1CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)CCO1	REAL300000364757	0	43	-2.0	-103.37	371.07	2.85	-100.52
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOC(C)C3)C=C2)C=C(C(=O)[O-])O1	REAL300000364758	0	47	-2.0	-99.68	396.98	4.72	-94.96
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364759	1	37	-2.0	-123.23	345.90	7.05	-116.18
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364760	1	34	-2.0	-126.10	330.47	6.28	-119.82
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000364761	1	33	-2.0	-121.91	311.61	5.48	-116.43
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000364763	0	28	-2.0	-130.34	284.18	5.89	-124.45
O=C([O-])C1=C(Cl)C=CC=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000364764	0	31	-2.0	-100.34	307.46	5.28	-95.06
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000364764	1	30	-3.0	-184.03	309.14	5.34	-178.69
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000364765	0	27	-2.0	-112.14	287.55	4.27	-107.87
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364766	1	29	-2.0	-117.82	296.52	6.02	-111.80
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364767	1	29	-2.0	-113.15	296.49	6.02	-107.13
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000364768	0	28	-2.0	-119.48	297.91	6.21	-113.27
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Br	REAL300000364769	0	28	-2.0	-121.10	292.17	6.33	-114.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1NC(C)=O	REAL300000364770	1	39	-2.0	-139.54	359.47	3.95	-135.59
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300000364771	1	32	-2.0	-114.15	321.66	5.42	-108.73
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1F	REAL300000364772	0	31	-2.0	-117.33	306.86	6.15	-111.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1F	REAL300000364772	1	30	-3.0	-195.44	308.68	6.22	-189.22
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000364774	1	37	-2.0	-123.53	338.50	5.57	-117.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000364775	1	33	-2.0	-120.51	319.88	6.82	-113.69
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)S1	REAL300000364776	0	25	-2.0	-114.53	289.30	5.36	-109.17
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364777	1	46	-2.0	-123.23	382.02	9.62	-113.61
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300000364778	1	44	-2.0	-122.35	377.53	9.44	-112.91
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000364779	1	31	-2.0	-113.65	314.41	6.63	-107.02
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000364780	1	38	-2.0	-125.92	338.40	8.11	-117.81
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364781	0	31	-2.0	-100.84	302.29	6.13	-94.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364781	1	30	-3.0	-183.54	304.12	6.19	-177.35
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364782	0	36	-2.0	-130.33	333.41	4.71	-125.62
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1OC	REAL300000364783	1	36	-2.0	-121.34	334.40	4.83	-116.51
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000364784	1	35	-2.0	-125.97	321.20	7.54	-118.43
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364785	0	30	-2.0	-112.50	290.61	4.55	-107.95
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000364786	1	28	-2.0	-112.74	307.59	6.60	-106.14
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364787	0	31	-2.0	-117.35	302.46	6.13	-111.22
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364787	1	30	-3.0	-199.51	304.15	6.18	-193.33
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000364788	1	28	-2.0	-111.53	288.38	5.75	-105.78
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000364789	0	28	-2.0	-116.84	305.54	6.71	-110.13
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000364790	1	31	-2.0	-118.13	314.41	6.63	-111.50
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364791	1	31	-2.0	-124.04	297.10	6.29	-117.75
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000364793	0	31	-2.0	-124.00	300.30	6.98	-117.02
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000364794	1	28	-2.0	-118.91	292.41	6.15	-112.76
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364795	1	33	-2.0	-121.14	318.43	6.12	-115.02
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364796	1	34	-2.0	-122.94	312.58	7.07	-115.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000364797	1	34	-2.0	-125.44	314.10	6.83	-118.61
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000364798	1	28	-2.0	-111.81	298.27	6.20	-105.61
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364799	1	33	-2.0	-132.78	316.17	6.01	-126.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C)=C1	REAL300000364800	1	34	-2.0	-122.38	312.58	7.06	-115.32
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364801	0	37	-2.0	-116.64	352.31	7.22	-109.42
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000364802	0	28	-2.0	-119.85	304.00	6.65	-113.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000364803	1	34	-2.0	-119.12	331.20	6.37	-112.75
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364804	1	40	-2.0	-123.18	351.88	7.95	-115.23
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364805	1	37	-2.0	-122.92	335.90	7.56	-115.36
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364806	1	40	-2.0	-122.97	354.35	8.22	-114.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364807	0	34	-3.0	-200.90	332.27	5.99	-194.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364807	1	35	-2.0	-118.08	329.51	5.92	-112.16
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364808	0	35	-2.0	-101.77	333.69	7.41	-94.36
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364808	1	34	-3.0	-180.84	335.59	7.48	-173.36
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000364809	0	25	-2.0	-114.26	284.66	5.25	-109.01
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364810	1	37	-2.0	-122.38	340.07	7.85	-114.53
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364811	0	32	-2.0	-129.31	303.95	5.42	-123.89
CC1=CC=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000364812	0	34	-2.0	-97.90	318.46	6.66	-91.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000364812	1	33	-3.0	-201.73	320.16	6.72	-195.01
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364813	0	39	-2.0	-131.19	360.00	4.32	-126.87
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000364814	0	28	-2.0	-117.94	293.74	5.81	-112.13
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000364815	1	28	-2.0	-113.31	309.14	6.66	-106.65
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000364816	0	28	-2.0	-122.60	288.81	6.19	-116.41
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1	REAL300000364817	1	28	-2.0	-118.89	296.98	6.25	-112.64
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000364818	0	30	-2.0	-118.78	303.90	6.30	-112.48
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364819	0	33	-2.0	-115.26	319.39	7.07	-108.19
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300000364820	0	30	-2.0	-112.29	316.35	6.68	-105.61
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000364821	0	25	-2.0	-120.44	267.61	4.63	-115.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364822	1	32	-2.0	-120.53	305.17	4.92	-115.61
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000364823	0	30	-2.0	-134.82	296.77	7.04	-127.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364824	1	31	-2.0	-123.43	297.09	6.30	-117.13
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364825	1	35	-2.0	-120.31	327.02	5.85	-114.46
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000364826	0	28	-2.0	-118.65	287.59	5.76	-112.89
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000364827	1	28	-2.0	-119.13	282.09	5.69	-113.44
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000364828	0	28	-2.0	-112.49	288.50	5.76	-106.73
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000364829	1	40	-2.0	-124.51	339.19	8.32	-116.19
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000364830	1	34	-2.0	-123.55	320.17	4.78	-118.77
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364832	1	43	-2.0	-124.39	367.37	8.72	-115.67
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000364833	1	28	-2.0	-115.54	292.41	6.15	-109.39
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1	REAL300000364834	1	28	-2.0	-115.49	296.97	6.25	-109.24
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000364835	0	30	-2.0	-109.31	303.90	6.30	-103.01
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000364836	1	28	-2.0	-123.00	275.67	5.63	-117.37
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364837	1	35	-2.0	-127.63	332.02	4.51	-123.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000364838	0	28	-2.0	-122.06	289.51	5.42	-116.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000364839	0	37	-2.0	-101.45	333.45	7.11	-94.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000364839	1	36	-3.0	-196.82	337.25	7.51	-189.31
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364840	0	32	-2.0	-121.62	320.67	5.94	-115.68
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364841	0	30	-3.0	-193.40	309.61	6.25	-187.15
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300000364842	0	25	-2.0	-111.70	298.53	5.78	-105.92
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364843	1	43	-2.0	-122.23	379.13	9.13	-113.10
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364844	0	33	-2.0	-118.72	313.92	6.89	-111.83
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000364845	0	28	-2.0	-121.33	287.58	5.76	-115.57
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364846	0	37	-2.0	-98.00	345.88	7.71	-90.29
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364846	1	36	-3.0	-182.39	347.72	7.78	-174.61
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364847	1	38	-2.0	-127.20	352.33	5.33	-121.87
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000364848	1	32	-2.0	-116.59	311.43	2.44	-114.15
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364849	1	32	-2.0	-120.64	315.87	6.65	-113.99
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000364850	1	33	-2.0	-118.08	317.71	4.07	-114.01
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000364851	1	36	-2.0	-119.19	335.50	4.81	-114.38
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1OCC	REAL300000364852	1	42	-2.0	-121.89	378.13	6.67	-115.22
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364854	0	27	-3.0	-192.24	297.33	5.21	-187.03
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000364855	1	31	-2.0	-116.02	307.42	3.13	-112.89
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364856	0	34	-2.0	-94.84	315.82	6.88	-87.96
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364856	1	33	-3.0	-194.40	319.58	6.97	-187.43
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364857	0	34	-2.0	-120.93	313.30	4.71	-116.22
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000364858	0	36	-2.0	-115.62	337.11	7.63	-107.99
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364859	0	34	-2.0	-117.00	330.44	6.29	-110.71
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364860	1	35	-2.0	-121.34	332.11	3.91	-117.43
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364861	0	33	-2.0	-123.66	329.86	0.59	-123.07
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300000364862	1	39	-2.0	-130.09	353.48	6.76	-123.33
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364863	1	32	-2.0	-121.09	310.18	2.41	-118.68
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=CC=C21	REAL300000364864	1	39	-2.0	-132.21	354.93	6.68	-125.53
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364865	1	34	-2.0	-122.88	318.57	7.07	-115.81
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000364866	1	34	-2.0	-127.09	321.62	7.91	-119.18
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=CS1	REAL300000364867	0	31	-2.0	-131.59	315.26	5.94	-125.65
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364868	1	38	-2.0	-121.56	352.24	6.14	-115.42
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364869	0	35	-2.0	-99.20	333.36	6.40	-92.80
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364869	1	34	-3.0	-179.87	335.21	6.47	-173.40
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000364870	1	42	-2.0	-124.36	380.74	5.86	-118.50
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300000364871	1	39	-2.0	-125.74	359.90	9.75	-115.99
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364872	1	40	-2.0	-122.70	356.83	8.31	-114.39
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000364873	1	28	-2.0	-114.70	282.08	5.69	-109.01
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000364874	0	28	-2.0	-127.99	281.18	5.69	-122.30
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000364875	1	33	-2.0	-117.78	318.06	6.13	-111.65
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=C2N=C1	REAL300000364876	0	36	-2.0	-140.51	337.03	6.90	-133.61
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364877	1	38	-2.0	-119.76	348.52	6.65	-113.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(Cl)=C1	REAL300000364878	0	31	-2.0	-122.60	310.23	6.86	-115.74
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300000364879	0	32	-2.0	-124.88	320.44	5.90	-118.98
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300000364880	1	34	-2.0	-118.66	326.42	2.85	-115.81
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364881	1	33	-2.0	-127.96	329.86	0.59	-127.37
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=CC=C21	REAL300000364882	1	36	-2.0	-118.66	338.51	6.05	-112.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000364883	0	34	-2.0	-130.56	326.23	6.35	-124.21
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=C2C1=O	REAL300000364884	0	35	-2.0	-115.55	341.52	4.89	-110.66
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000364885	1	33	-2.0	-114.81	323.52	7.12	-107.69
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=CC=C21	REAL300000364886	1	34	-2.0	-117.98	329.79	5.58	-112.40
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300000364887	1	32	-2.0	-116.51	321.67	5.42	-111.09
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364888	0	34	-2.0	-129.26	336.38	3.15	-126.11
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364889	1	31	-2.0	-113.57	297.57	6.47	-107.10
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000364890	0	28	-2.0	-113.94	295.21	6.26	-107.68
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300000364891	0	40	-2.0	-129.15	361.61	4.97	-124.18
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(F)=C1	REAL300000364892	0	35	-2.0	-137.82	337.52	4.59	-133.23
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364893	1	34	-2.0	-133.17	336.38	3.15	-130.02
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1OC	REAL300000364895	0	36	-2.0	-123.45	339.89	4.90	-118.55
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1OC	REAL300000364896	1	39	-2.0	-119.99	349.43	5.61	-114.38
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000364897	0	31	-3.0	-197.26	310.79	5.54	-191.72
CN1C=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000364897	1	32	-2.0	-114.91	310.67	5.52	-109.39
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1Cl	REAL300000364898	0	28	-2.0	-129.45	293.15	5.19	-124.26
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(N)=O	REAL300000364899	0	33	-2.0	-119.52	317.88	1.77	-117.75
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364900	0	35	-2.0	-96.25	324.58	4.93	-91.32
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364901	1	39	-2.0	-122.02	360.65	5.12	-116.90
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1Cl	REAL300000364902	1	32	-2.0	-118.48	321.20	5.48	-113.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000364903	1	32	-2.0	-118.27	311.39	5.00	-113.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000364904	1	35	-2.0	-121.87	325.25	5.67	-116.20
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000364905	1	38	-2.0	-121.77	347.12	6.60	-115.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(N)=O	REAL300000364906	1	35	-2.0	-116.51	326.27	3.08	-113.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(N)=O	REAL300000364907	1	36	-2.0	-118.14	337.49	3.01	-115.13
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000364908	0	28	-2.0	-118.75	280.23	3.34	-115.41
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364909	0	33	-2.0	-108.43	319.40	7.07	-101.36
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CN1C	REAL300000364910	0	36	-2.0	-120.83	339.87	3.27	-117.56
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364911	1	31	-2.0	-117.10	307.89	6.92	-110.18
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364912	1	41	-2.0	-119.98	368.62	7.35	-112.63
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=N2)C=C1	REAL300000364913	0	38	-2.0	-121.21	357.65	7.41	-113.80
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300000364915	1	39	-2.0	-120.70	351.15	5.76	-114.94
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000364916	1	38	-2.0	-122.86	349.26	6.51	-116.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364917	0	30	-3.0	-187.66	313.25	5.87	-181.79
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1Cl	REAL300000364918	1	29	-2.0	-109.80	311.90	6.43	-103.37
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1Cl	REAL300000364919	1	29	-2.0	-110.58	311.91	6.43	-104.15
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000364920	0	37	-2.0	-94.82	331.72	7.42	-87.40
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000364920	1	36	-3.0	-196.49	335.60	7.51	-188.98
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000364921	1	32	-2.0	-126.74	314.04	6.00	-120.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C2=CC=CN=C12	REAL300000364922	1	37	-2.0	-125.09	340.98	5.42	-119.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1Cl	REAL300000364923	1	31	-2.0	-119.88	311.14	6.74	-113.14
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000364924	0	28	-2.0	-124.93	297.34	6.19	-118.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1OC(C)C	REAL300000364925	1	41	-2.0	-122.25	365.05	7.22	-115.03
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364926	0	34	-2.0	-115.24	332.15	6.09	-109.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C2=CC=CC=C12	REAL300000364927	1	38	-2.0	-129.36	345.05	7.29	-122.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000364928	1	31	-2.0	-119.73	302.41	6.34	-113.39
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364929	1	31	-2.0	-114.59	307.90	6.91	-107.68
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364930	0	31	-2.0	-128.35	302.58	6.36	-121.99
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364931	1	31	-2.0	-117.03	297.57	6.47	-110.56
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364932	0	33	-2.0	-136.45	309.31	7.87	-128.58
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300000364933	0	36	-2.0	-123.86	340.96	4.88	-118.98
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364934	1	38	-2.0	-137.40	344.97	5.31	-132.09
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300000364935	1	42	-2.0	-120.68	369.73	7.82	-112.86
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364936	1	44	-2.0	-119.65	387.58	7.95	-111.70
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364937	1	38	-2.0	-123.18	361.53	6.55	-116.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CS1	REAL300000364938	0	27	-3.0	-193.96	295.79	5.23	-188.73
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])=CS1	REAL300000364938	1	28	-2.0	-112.92	295.37	5.22	-107.70
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1Cl	REAL300000364939	0	31	-2.0	-123.28	318.03	7.52	-115.76
COC1=CC=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000364940	0	35	-2.0	-124.21	329.60	6.19	-118.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000364940	1	34	-3.0	-205.71	331.43	6.25	-199.46
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300000364941	0	25	-2.0	-116.76	287.99	5.19	-111.57
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1O	REAL300000364942	1	35	-2.0	-117.20	339.29	4.32	-112.88
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364943	1	41	-2.0	-134.17	379.39	5.41	-128.76
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000364944	0	30	-2.0	-126.72	300.62	7.08	-119.64
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364945	0	40	-2.0	-101.17	355.24	7.78	-93.39
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364945	1	39	-3.0	-197.05	357.34	8.17	-188.88
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300000364946	1	38	-2.0	-123.93	349.86	9.04	-114.89
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364947	1	39	-2.0	-132.40	366.44	5.29	-127.11
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300000364950	1	39	-2.0	-132.96	363.74	5.60	-127.36
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364951	0	32	-2.0	-127.33	306.79	3.99	-123.34
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000364952	0	25	-2.0	-115.26	257.26	2.02	-113.24
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364953	0	37	-2.0	-95.05	334.33	7.77	-87.28
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364953	1	36	-3.0	-188.40	329.78	7.72	-180.68
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000364954	0	31	-2.0	-127.37	315.20	6.53	-120.84
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364955	0	37	-3.0	-208.59	354.57	6.75	-201.84
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364955	1	38	-2.0	-125.44	351.89	6.70	-118.74
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000364956	0	33	-3.0	-177.89	330.82	6.68	-171.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000364956	1	32	-4.0	-291.78	332.55	6.75	-285.03
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000364957	0	31	-2.0	-114.97	323.57	5.39	-109.58
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364958	0	38	-2.0	-101.76	345.46	7.66	-94.10
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364958	1	37	-3.0	-200.87	348.39	8.08	-192.79
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000364959	0	36	-2.0	-135.21	335.86	8.28	-126.93
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000364960	0	32	-2.0	-113.35	313.49	6.01	-107.34
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000364961	0	28	-2.0	-119.24	290.60	5.97	-113.27
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000364962	0	30	-3.0	-186.97	307.15	5.33	-181.64
CC1=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000364962	1	31	-2.0	-95.61	304.73	4.87	-90.74
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000364963	0	31	-2.0	-143.67	303.88	4.82	-138.85
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364964	0	34	-2.0	-126.71	335.94	6.33	-120.38
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364965	0	38	-2.0	-131.77	347.21	7.01	-124.76
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000364966	1	31	-2.0	-111.00	320.00	6.69	-104.31
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364967	1	44	-2.0	-119.78	391.52	8.21	-111.57
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300000364968	0	30	-2.0	-133.86	310.29	7.80	-126.06
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000364969	1	33	-2.0	-131.90	324.01	5.80	-126.10
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=CC(Br)=C1	REAL300000364970	0	27	-2.0	-112.94	292.02	4.43	-108.51
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364971	1	42	-2.0	-122.10	382.50	6.09	-116.01
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000364972	0	30	-2.0	-138.44	301.70	7.24	-131.20
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364973	0	34	-3.0	-208.15	333.06	5.27	-202.88
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364973	1	35	-2.0	-108.24	330.39	4.81	-103.43
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000364974	0	35	-2.0	-121.68	336.25	6.74	-114.94
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300000364975	0	38	-2.0	-119.90	361.65	7.19	-112.71
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000364976	0	27	-2.0	-112.61	277.10	3.90	-108.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(F)(F)F	REAL300000364977	1	34	-2.0	-119.12	330.11	7.15	-111.97
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=CC=C21	REAL300000364978	1	38	-2.0	-118.83	355.93	6.54	-112.29
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364979	0	31	-2.0	-120.67	323.73	5.29	-115.38
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364980	0	36	-2.0	-110.05	329.66	7.82	-102.23
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300000364981	1	33	-2.0	-124.15	311.85	6.06	-118.09
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000364982	0	27	-2.0	-113.55	300.83	4.76	-108.79
CC1=CC(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300000364983	0	38	-2.0	-100.10	353.43	7.11	-92.99
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300000364983	1	37	-3.0	-180.68	355.31	7.18	-173.50
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364984	0	28	-2.0	-130.61	279.70	4.72	-125.89
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=C12	REAL300000364986	0	36	-2.0	-117.12	342.00	5.36	-111.76
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=C12	REAL300000364987	0	32	-2.0	-111.78	315.43	2.61	-109.17
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300000364988	1	37	-2.0	-125.32	357.23	8.47	-116.85
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000364989	0	28	-2.0	-126.29	287.45	5.75	-120.54
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(F)=C1	REAL300000364990	0	32	-2.0	-125.52	313.67	5.20	-120.32
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300000364991	0	30	-2.0	-126.99	310.95	7.53	-119.46
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364992	0	34	-2.0	-93.36	321.01	6.58	-86.78
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000364992	1	33	-3.0	-185.02	324.85	7.00	-178.02
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000364993	0	34	-2.0	-128.94	318.82	5.26	-123.68
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CN1C	REAL300000364994	0	31	-2.0	-136.03	300.23	4.53	-131.50
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000364995	0	32	-2.0	-124.44	313.70	5.68	-118.76
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364996	1	37	-2.0	-125.65	352.34	7.21	-118.44
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000364997	0	31	-2.0	-119.01	301.76	4.19	-114.82
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000364998	0	40	-2.0	-116.35	373.81	8.01	-108.34
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000364999	1	35	-2.0	-124.55	330.75	5.35	-119.20
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300000365000	0	31	-2.0	-120.08	320.24	6.70	-113.38
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300000365001	0	28	-2.0	-122.46	307.74	5.73	-116.73
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000365002	0	38	-2.0	-104.11	351.45	7.09	-97.02
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000365002	1	37	-3.0	-206.70	353.30	7.16	-199.54
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000365003	1	33	-2.0	-120.68	311.67	4.93	-115.75
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000365004	0	28	-2.0	-116.50	295.22	6.26	-110.24
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=C2)=CO1	REAL300000365005	1	37	-2.0	-125.82	352.07	4.69	-121.13
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=CC=C2O1	REAL300000365006	1	36	-2.0	-122.07	332.59	6.23	-115.84
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000365007	0	32	-2.0	-114.54	319.98	2.48	-112.06
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365008	0	28	-2.0	-116.44	276.07	2.68	-113.76
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365009	1	32	-2.0	-125.13	305.18	4.93	-120.20
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365010	1	31	-2.0	-121.92	291.17	6.40	-115.52
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000365011	0	34	-2.0	-126.36	337.29	3.87	-122.49
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000365011	1	33	-3.0	-194.57	333.04	2.75	-191.82
CN1C=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=N1	REAL300000365012	0	28	-2.0	-129.00	280.52	3.17	-125.83
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365013	0	28	-2.0	-114.32	275.92	3.26	-111.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(F)=C1	REAL300000365016	0	31	-2.0	-127.92	302.59	6.37	-121.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1F	REAL300000365017	1	31	-2.0	-115.44	302.41	6.33	-109.11
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000365018	0	25	-2.0	-131.42	257.15	3.00	-128.42
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])O1	REAL300000365019	0	31	-2.0	-116.57	315.23	4.42	-112.15
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000365020	0	33	-2.0	-140.01	315.61	6.26	-133.75
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000365021	0	30	-3.0	-190.21	313.84	6.07	-184.14
CC1=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000365021	1	31	-2.0	-94.67	310.35	6.01	-88.66
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000365022	1	37	-2.0	-125.46	340.01	6.95	-118.51
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365023	0	32	-2.0	-122.76	318.29	5.49	-117.27
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CN=C1Cl	REAL300000365024	0	30	-2.0	-113.47	306.33	4.85	-108.62
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365026	1	37	-2.0	-126.90	352.63	7.07	-119.83
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=C21	REAL300000365028	1	39	-2.0	-146.71	356.19	6.75	-139.96
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365029	0	40	-2.0	-121.85	353.79	6.27	-115.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])SC=C1	REAL300000365030	0	28	-2.0	-121.83	283.91	5.45	-116.38
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000365031	0	37	-2.0	-121.21	335.12	5.57	-115.64
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000365032	0	37	-2.0	-117.73	346.48	6.82	-110.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000365033	0	33	-2.0	-110.47	319.89	6.81	-103.66
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000365034	1	36	-2.0	-136.54	335.27	4.08	-132.46
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365035	1	32	-2.0	-115.50	311.95	6.79	-108.71
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1F	REAL300000365036	1	35	-2.0	-132.50	336.85	4.64	-127.86
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000365037	0	33	-2.0	-118.50	328.06	6.99	-111.51
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1C	REAL300000365038	1	38	-2.0	-144.67	350.55	5.43	-139.24
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365039	0	32	-2.0	-123.91	313.33	6.09	-117.82
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365040	1	32	-2.0	-112.44	311.93	6.78	-105.66
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300000365041	1	37	-2.0	-129.09	344.35	5.70	-123.39
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1OC	REAL300000365042	1	38	-2.0	-120.46	357.76	6.33	-114.13
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CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=C2O1	REAL300000365044	1	33	-2.0	-120.89	319.33	3.29	-117.60
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000365045	0	34	-2.0	-119.66	320.44	4.72	-114.94
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000365046	1	33	-2.0	-124.04	316.66	6.01	-118.03
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000365047	0	34	-2.0	-123.06	335.06	4.39	-118.67
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CN1	REAL300000365048	0	34	-2.0	-133.74	319.65	4.06	-129.68
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CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300000365051	0	37	-2.0	-124.95	347.88	7.01	-117.94
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000365053	0	28	-2.0	-105.90	294.68	5.81	-100.09
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365054	1	39	-2.0	-119.63	358.13	7.46	-112.17
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CN1C	REAL300000365056	0	35	-2.0	-125.19	336.86	5.72	-119.47
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365057	1	43	-2.0	-123.07	366.11	8.42	-114.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(Cl)=C1	REAL300000365058	0	30	-3.0	-180.72	317.19	6.75	-173.97
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C(Cl)=C1	REAL300000365058	1	31	-2.0	-92.84	314.40	6.31	-86.53
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000365059	0	31	-2.0	-99.94	306.82	6.16	-93.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000365059	1	30	-3.0	-182.30	308.66	6.22	-176.08
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365060	1	36	-2.0	-131.36	342.16	5.04	-126.32
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300000365061	0	35	-2.0	-124.91	340.64	6.90	-118.01
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365062	1	38	-2.0	-132.53	353.92	6.28	-126.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC(C)=C1F	REAL300000365063	1	34	-2.0	-116.74	322.72	6.97	-109.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000365064	0	27	-3.0	-185.84	296.41	5.31	-180.53
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365065	0	37	-2.0	-134.56	340.43	6.88	-127.68
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365066	0	31	-2.0	-92.83	308.73	6.18	-86.65
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365066	1	30	-3.0	-189.17	310.55	6.25	-182.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1F	REAL300000365067	0	33	-3.0	-195.66	329.89	6.88	-188.78
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365068	1	42	-2.0	-119.47	368.48	7.68	-111.79
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CN1	REAL300000365069	0	32	-2.0	-121.84	319.08	3.97	-117.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(F)=C1	REAL300000365070	0	30	-3.0	-184.71	309.61	6.26	-178.45
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1Cl	REAL300000365071	0	31	-2.0	-97.61	314.80	6.51	-91.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1Cl	REAL300000365071	1	30	-3.0	-180.94	316.63	6.59	-174.35
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365072	1	31	-2.0	-118.73	296.06	6.45	-112.28
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1C	REAL300000365073	1	37	-2.0	-119.86	346.50	6.81	-113.05
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CS1	REAL300000365074	0	31	-2.0	-120.79	322.96	5.30	-115.49
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1F	REAL300000365075	1	34	-2.0	-113.75	335.01	6.30	-107.45
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000365076	0	30	-2.0	-118.85	299.95	4.22	-114.63
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365077	1	32	-2.0	-125.83	317.93	6.80	-119.03
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1[O-]	REAL300000365078	1	36	-2.0	-102.72	336.00	2.51	-100.21
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365079	1	34	-2.0	-116.16	329.90	7.40	-108.76
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365080	1	34	-2.0	-124.45	318.57	7.06	-117.39
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365081	1	31	-2.0	-119.42	303.51	6.36	-113.06
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365082	0	34	-2.0	-118.16	333.58	5.07	-113.09
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000365083	1	34	-2.0	-117.28	327.08	4.68	-112.60
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365084	0	38	-2.0	-130.08	358.61	6.08	-124.00
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365085	1	40	-2.0	-124.06	363.58	7.60	-116.46
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=CC=C2O1	REAL300000365086	1	39	-2.0	-122.46	353.12	6.88	-115.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C(F)C=C1F	REAL300000365087	0	31	-2.0	-119.10	307.89	6.39	-112.71
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300000365088	0	34	-2.0	-131.22	327.47	8.69	-122.53
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000365089	0	34	-2.0	-132.22	316.73	7.94	-124.28
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000365090	0	30	-2.0	-120.74	307.69	5.11	-115.63
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365091	0	31	-3.0	-190.40	313.86	3.90	-186.50
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365091	1	31	-3.0	-194.79	307.67	4.72	-190.07
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000365092	1	38	-2.0	-126.91	330.99	8.26	-118.65
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365093	0	34	-2.0	-99.13	324.48	6.90	-92.23
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365093	1	33	-3.0	-185.05	326.31	6.97	-178.08
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])O1	REAL300000365094	0	34	-2.0	-116.95	337.09	5.34	-111.61
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000365095	0	30	-2.0	-110.38	310.30	6.37	-104.01
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365096	0	33	-2.0	-129.67	331.52	6.68	-122.99
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=CC=C21	REAL300000365097	1	40	-2.0	-121.80	366.40	7.16	-114.64
COC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])SC=C1	REAL300000365098	0	29	-2.0	-128.25	297.85	3.91	-124.34
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300000365099	0	34	-2.0	-125.31	332.46	6.73	-118.58
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000365100	0	31	-2.0	-126.66	305.44	6.02	-120.64
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=CC=C2C=C1	REAL300000365101	0	36	-2.0	-142.35	337.19	6.86	-135.49
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=C21	REAL300000365102	1	39	-2.0	-117.37	358.98	5.13	-112.24
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300000365103	0	34	-2.0	-122.73	331.09	8.36	-114.37
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])SC2=CC=CC(F)=C12	REAL300000365104	0	34	-2.0	-126.90	333.18	7.84	-119.06
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1F	REAL300000365105	0	33	-2.0	-119.14	329.69	7.00	-112.14
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365106	0	30	-2.0	-126.97	308.93	4.38	-122.59
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365107	0	28	-2.0	-112.06	291.71	4.54	-107.52
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])N=C1Cl	REAL300000365108	0	28	-2.0	-125.38	295.86	4.46	-120.92
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365109	0	36	-2.0	-126.58	334.66	4.23	-122.35
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000365110	0	29	-2.0	-128.64	291.52	4.36	-124.28
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365111	0	29	-2.0	-111.42	297.90	3.46	-107.96
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000365112	0	27	-2.0	-118.44	284.21	3.45	-114.99
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365113	1	33	-2.0	-107.94	323.48	7.11	-100.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365114	0	34	-2.0	-117.17	311.31	6.80	-110.37
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365114	1	33	-3.0	-200.56	314.18	6.82	-193.74
CC1=CC(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000365116	0	34	-2.0	-98.72	327.28	6.78	-91.94
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000365116	1	33	-3.0	-197.44	328.98	6.84	-190.60
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365117	0	34	-2.0	-98.77	315.79	6.88	-91.89
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365117	1	33	-3.0	-182.79	319.56	6.95	-175.84
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000365118	0	31	-2.0	-121.53	307.87	6.40	-115.13
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000365119	0	34	-2.0	-110.29	331.22	6.37	-103.92
CC1=CC(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000365120	0	37	-2.0	-119.20	335.10	7.19	-112.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000365120	1	36	-3.0	-204.46	337.61	7.27	-197.19
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300000365121	0	34	-2.0	-132.61	333.41	8.45	-124.16
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000365122	0	31	-2.0	-119.83	321.01	7.12	-112.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1CC	REAL300000365123	1	40	-2.0	-125.62	352.83	8.20	-117.42
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365124	0	30	-3.0	-185.29	315.88	6.31	-178.98
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300000365125	1	33	-2.0	-111.25	328.72	6.95	-104.30
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000365126	0	27	-2.0	-118.27	294.66	5.07	-113.20
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365127	0	34	-2.0	-130.33	321.12	6.01	-124.32
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000365128	0	33	-2.0	-113.03	326.42	4.45	-108.58
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000365129	0	27	-2.0	-109.06	301.11	4.81	-104.25
CC1=CC=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000365130	0	37	-2.0	-122.34	334.84	7.52	-114.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000365130	1	36	-3.0	-205.69	337.68	7.59	-198.10
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000365131	0	33	-3.0	-196.25	329.46	6.88	-189.37
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365132	0	33	-3.0	-211.74	329.16	6.88	-204.86
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365133	1	36	-2.0	-133.27	338.77	6.90	-126.37
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000365134	0	35	-2.0	-117.01	335.44	3.23	-113.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000365135	0	33	-2.0	-128.84	326.00	6.46	-122.38
CCC1=CC=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000365136	0	37	-2.0	-118.62	336.69	7.31	-111.31
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000365136	1	36	-3.0	-202.91	338.47	7.37	-195.54
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000365137	0	39	-2.0	-119.34	352.84	4.16	-115.18
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365140	0	34	-2.0	-89.31	320.65	5.69	-83.62
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000365141	0	37	-2.0	-123.13	348.68	7.27	-115.86
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365142	0	34	-2.0	-133.02	323.17	6.37	-126.65
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000365143	0	36	-2.0	-117.43	333.72	3.38	-114.05
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300000365144	1	35	-2.0	-123.46	340.03	6.17	-117.29
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1F	REAL300000365145	0	31	-2.0	-129.57	301.50	6.34	-123.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000365146	0	34	-2.0	-115.39	324.72	3.25	-112.14
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000365147	0	35	-2.0	-137.74	321.63	5.65	-132.09
COC1=CC=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000365148	0	38	-2.0	-125.36	352.92	6.25	-119.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000365148	1	37	-3.0	-197.06	354.62	6.32	-190.74
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365149	1	35	-2.0	-124.25	330.76	5.36	-118.89
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365150	0	33	-2.0	-121.74	314.95	2.61	-119.13
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1Cl	REAL300000365151	0	31	-2.0	-123.98	307.55	6.78	-117.20
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C(C)O1	REAL300000365153	0	31	-2.0	-119.20	298.66	5.20	-114.00
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300000365154	0	34	-2.0	-128.37	321.93	3.30	-125.07
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000365155	1	36	-2.0	-122.86	329.39	6.26	-116.60
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365156	1	35	-2.0	-121.74	322.28	5.66	-116.08
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000365157	0	37	-2.0	-111.13	348.88	5.93	-105.20
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365158	1	38	-2.0	-120.79	344.94	6.47	-114.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])O1	REAL300000365159	0	28	-2.0	-122.78	280.28	4.44	-118.34
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365160	0	31	-2.0	-123.40	307.90	5.99	-117.41
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000365161	1	31	-2.0	-119.36	301.73	4.29	-115.07
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000365162	0	36	-2.0	-140.16	329.31	7.38	-132.78
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000365163	0	34	-2.0	-125.87	324.96	7.64	-118.23
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000365164	0	30	-2.0	-107.18	308.41	6.32	-100.86
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000365165	0	28	-2.0	-112.95	298.83	6.21	-106.74
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C(C)O1	REAL300000365166	0	34	-2.0	-113.84	333.55	5.19	-108.65
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000365167	0	27	-2.0	-112.92	287.45	4.32	-108.60
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])N=C1C	REAL300000365168	0	34	-2.0	-133.16	321.30	5.42	-127.74
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365169	0	31	-2.0	-123.02	310.23	6.86	-116.16
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000365170	0	34	-3.0	-199.19	332.10	6.39	-192.80
CCN1C=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000365170	1	35	-2.0	-116.37	332.05	6.39	-109.98
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365171	0	31	-2.0	-120.81	315.57	4.36	-116.45
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365172	0	40	-2.0	-122.45	355.16	6.18	-116.27
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CN1C	REAL300000365173	0	38	-2.0	-124.78	358.71	6.65	-118.13
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365174	0	36	-2.0	-118.44	335.37	7.58	-110.86
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000365175	0	28	-2.0	-126.40	291.74	6.41	-119.99
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(Cl)=N1	REAL300000365176	0	30	-2.0	-121.23	305.58	4.95	-116.28
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365177	0	33	-2.0	-119.25	324.72	5.82	-113.43
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1Cl	REAL300000365178	1	32	-2.0	-118.65	330.88	7.10	-111.55
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000365179	0	30	-2.0	-118.09	305.70	4.21	-113.88
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=C12	REAL300000365180	0	35	-2.0	-111.24	336.92	3.33	-107.91
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000365181	0	30	-2.0	-116.10	313.81	5.96	-110.14
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CN=C1Cl	REAL300000365182	0	31	-2.0	-111.38	316.53	3.60	-107.78
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=CC=C21	REAL300000365183	1	37	-2.0	-118.17	351.61	6.59	-111.58
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000365184	0	30	-2.0	-110.51	310.41	4.85	-105.66
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365185	0	34	-2.0	-118.72	336.88	6.35	-112.37
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365186	0	43	-2.0	-121.44	374.95	7.12	-114.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C)=C1F	REAL300000365187	1	35	-2.0	-118.57	325.35	5.76	-112.81
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(Cl)=C1	REAL300000365188	0	29	-2.0	-112.47	309.57	6.58	-105.89
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000365189	0	31	-2.0	-132.85	303.61	5.94	-126.91
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365190	0	33	-2.0	-118.34	325.65	4.48	-113.86
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000365191	0	25	-2.0	-116.34	280.06	4.35	-111.99
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300000365192	0	37	-2.0	-133.14	350.10	4.72	-128.42
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000365193	1	36	-2.0	-116.89	335.38	7.58	-109.31
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365195	1	40	-2.0	-122.77	367.76	7.98	-114.79
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300000365196	0	28	-2.0	-113.62	310.86	6.74	-106.88
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365197	0	28	-2.0	-115.31	304.67	5.85	-109.46
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(OC)=C1	REAL300000365198	0	38	-2.0	-123.34	358.67	6.08	-117.26
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000365199	1	31	-2.0	-128.61	309.85	6.56	-122.05
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300000365200	0	31	-2.0	-117.53	319.93	6.69	-110.84
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000365201	0	31	-2.0	-116.77	313.61	4.51	-112.26
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365202	0	32	-2.0	-127.77	311.76	6.70	-121.07
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)F)=C1	REAL300000365203	1	31	-2.0	-120.23	322.27	2.73	-117.50
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300000365204	0	36	-2.0	-117.61	345.13	6.91	-110.70
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C)=CS1	REAL300000365205	0	34	-2.0	-132.26	330.90	6.81	-125.45
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1F	REAL300000365206	1	32	-2.0	-114.63	311.40	5.00	-109.63
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000365207	0	25	-2.0	-120.97	258.36	3.62	-117.35
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365208	0	27	-2.0	-108.63	269.10	2.08	-106.55
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=CN=C21	REAL300000365209	0	33	-2.0	-116.80	320.04	4.77	-112.03
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000365210	0	27	-2.0	-111.44	296.85	5.39	-106.05
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365212	1	36	-2.0	-122.63	342.85	3.84	-118.79
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000365213	0	32	-2.0	-125.35	303.66	5.07	-120.28
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365214	0	29	-2.0	-115.23	309.59	6.58	-108.65
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000365215	0	31	-2.0	-117.03	319.64	4.69	-112.34
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365216	1	34	-2.0	-116.30	301.44	7.15	-109.15
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000365218	0	32	-2.0	-137.36	314.07	5.70	-131.66
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365219	0	41	-2.0	-121.49	365.87	7.09	-114.40
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=CC=C12	REAL300000365220	0	36	-2.0	-140.36	333.56	6.80	-133.56
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365221	1	32	-2.0	-125.37	326.94	2.92	-122.45
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000365222	0	29	-2.0	-129.72	300.45	3.93	-125.79
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365223	0	31	-2.0	-119.27	300.27	3.09	-116.18
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1OC	REAL300000365224	0	38	-2.0	-118.23	357.75	6.34	-111.89
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-])OCO2	REAL300000365226	1	34	-2.0	-117.52	317.18	5.06	-112.46
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365227	0	34	-2.0	-116.21	322.19	6.73	-109.48
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365228	1	38	-2.0	-123.61	344.94	5.32	-118.29
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000365229	0	31	-2.0	-125.79	320.65	3.11	-122.68
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000365229	1	30	-3.0	-193.86	317.34	1.99	-191.87
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000365230	1	35	-2.0	-121.58	336.85	4.65	-116.93
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CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365237	1	34	-2.0	-114.66	312.20	7.37	-107.29
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(N)=NO1	REAL300000365238	0	29	-2.0	-112.17	283.21	3.00	-109.17
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365239	0	32	-2.0	-124.19	320.66	5.94	-118.25
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000365240	0	29	-2.0	-116.36	303.19	4.40	-111.96
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365241	1	35	-2.0	-123.30	320.64	5.70	-117.60
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1Cl	REAL300000365242	1	35	-2.0	-116.56	336.24	6.26	-110.30
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000365244	0	26	-2.0	-111.12	288.19	5.18	-105.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000365245	0	30	-2.0	-119.72	292.29	4.45	-115.27
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000365246	0	33	-2.0	-123.54	316.86	6.00	-117.54
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(F)=C1	REAL300000365247	0	34	-2.0	-121.83	335.93	6.35	-115.48
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000365248	0	34	-2.0	-115.48	334.99	6.31	-109.17
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1C#N	REAL300000365249	1	32	-2.0	-113.41	315.66	6.52	-106.89
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000365250	0	27	-2.0	-106.82	293.42	4.31	-102.51
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(F)=C1	REAL300000365252	0	32	-2.0	-125.20	310.67	4.99	-120.21
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O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000365255	1	31	-2.0	-120.31	309.85	6.56	-113.75
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CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])N(C)N=C1	REAL300000365258	0	31	-2.0	-115.56	292.54	4.09	-111.47
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])O1	REAL300000365259	0	26	-2.0	-112.96	279.61	4.16	-108.80
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000365260	0	25	-2.0	-118.13	266.78	4.53	-113.60
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000365261	0	25	-2.0	-118.49	258.21	3.51	-114.98
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365262	0	39	-2.0	-132.28	359.00	5.14	-127.14
CC1=CC(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000365263	0	34	-2.0	-101.36	318.41	6.67	-94.69
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000365263	1	33	-3.0	-184.26	320.15	6.73	-177.53
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000365264	0	31	-2.0	-115.22	302.86	2.32	-112.90
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000365265	0	28	-2.0	-121.58	297.90	6.21	-115.37
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365266	0	37	-2.0	-123.77	353.21	8.40	-115.37
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365267	0	37	-2.0	-123.10	349.04	8.11	-114.99
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000365268	0	31	-2.0	-124.98	312.24	6.98	-118.00
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365269	1	40	-2.0	-127.75	374.50	7.99	-119.76
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1C	REAL300000365270	1	40	-2.0	-120.42	368.39	7.74	-112.68
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=C2O1	REAL300000365271	0	39	-2.0	-136.54	353.40	6.84	-129.70
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000365272	0	31	-2.0	-126.86	302.29	4.25	-122.61
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365273	1	34	-2.0	-112.86	330.23	7.42	-105.44
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365274	1	35	-2.0	-125.57	327.03	5.85	-119.72
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000365275	0	28	-2.0	-122.35	298.05	6.49	-115.86
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=C2C=C1	REAL300000365276	1	37	-2.0	-126.80	342.98	8.56	-118.24
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000365277	0	25	-2.0	-117.67	283.66	5.09	-112.58
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365278	0	28	-2.0	-121.03	289.25	5.29	-115.74
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365279	1	41	-2.0	-126.58	372.13	5.99	-120.59
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000365280	0	25	-2.0	-116.53	273.97	2.43	-114.10
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300000365281	0	33	-2.0	-130.35	330.20	6.69	-123.66
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000365282	0	27	-2.0	-117.42	282.58	3.74	-113.68
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365283	0	37	-2.0	-117.76	340.12	4.69	-113.07
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000365284	0	37	-2.0	-116.24	344.86	4.18	-112.06
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300000365286	1	36	-2.0	-120.54	336.21	6.60	-113.94
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000365287	0	31	-2.0	-119.79	311.86	6.09	-113.70
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365288	0	27	-2.0	-114.52	284.18	3.92	-110.60
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300000365290	0	32	-2.0	-120.10	324.11	4.34	-115.76
O=C([O-])C1=C(Cl)C=CC=C1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000365290	1	32	-2.0	-100.30	318.34	5.15	-95.15
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300000365291	0	34	-2.0	-115.97	329.18	6.94	-109.03
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000365292	1	35	-2.0	-123.03	324.90	7.73	-115.30
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000365293	0	25	-2.0	-119.41	273.96	4.67	-114.74
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=CC=C2NC1=O	REAL300000365294	1	37	-2.0	-117.30	347.18	5.38	-111.92
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300000365295	0	34	-2.0	-135.30	336.51	4.05	-131.25
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C(F)(F)F)=N1	REAL300000365296	0	31	-2.0	-121.57	314.32	4.47	-117.10
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000365297	1	37	-2.0	-121.85	340.52	7.22	-114.63
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000365298	1	29	-2.0	-109.78	302.40	6.06	-103.72
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300000365299	0	33	-2.0	-114.52	328.04	6.99	-107.53
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365300	0	34	-2.0	-99.88	320.13	6.57	-93.31
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365300	1	33	-3.0	-190.41	323.68	7.03	-183.38
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CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365303	1	28	-2.0	-147.74	281.04	1.56	-146.18
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O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000365305	0	25	-2.0	-126.71	257.30	2.20	-124.51
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000365306	0	33	-2.0	-127.04	312.68	2.53	-124.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000365307	0	31	-2.0	-123.42	305.79	6.25	-117.17
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CN=C1C	REAL300000365308	0	36	-2.0	-114.16	341.92	4.97	-109.19
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365309	0	30	-2.0	-111.98	303.23	5.01	-106.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300000365310	1	34	-2.0	-114.68	330.11	7.14	-107.54
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365311	1	37	-2.0	-127.93	352.63	7.06	-120.87
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CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=NN1C	REAL300000365314	0	31	-2.0	-117.84	296.35	3.86	-113.98
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365315	1	32	-2.0	-123.48	306.76	6.71	-116.77
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365316	1	41	-2.0	-134.88	367.83	6.46	-128.42
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365317	0	31	-2.0	-120.06	299.07	3.98	-116.08
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365318	1	35	-2.0	-121.70	347.49	5.86	-115.84
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COC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1Cl	REAL300000365323	1	32	-2.0	-115.53	321.20	5.49	-110.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1F	REAL300000365324	0	30	-3.0	-210.28	307.78	6.21	-204.07
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CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365330	0	31	-2.0	-122.07	302.25	7.13	-114.94
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300000365331	0	32	-2.0	-118.33	320.10	5.75	-112.58
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000365332	0	33	-2.0	-133.88	311.99	5.44	-128.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300000365333	0	37	-2.0	-126.51	346.87	8.65	-117.86
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(F)=C1	REAL300000365338	0	31	-2.0	-129.82	305.59	6.57	-123.25
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000365339	0	27	-2.0	-113.06	300.72	4.82	-108.24
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1Br	REAL300000365340	0	28	-2.0	-113.73	299.27	3.78	-109.95
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=CC=C21	REAL300000365341	1	33	-2.0	-121.23	319.53	4.07	-117.16
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-])C1=CC=CC=C1	REAL300000365342	1	35	-2.0	-147.47	337.86	4.34	-143.13
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000365343	0	34	-2.0	-107.42	323.45	6.68	-100.74
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000365343	1	33	-3.0	-191.11	325.32	6.76	-184.35
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365345	0	32	-2.0	-124.13	310.34	5.49	-118.64
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300000365346	1	31	-2.0	-111.05	315.30	4.73	-106.32
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000365347	1	36	-2.0	-120.36	338.24	7.46	-112.90
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365348	0	44	-2.0	-131.53	380.10	7.74	-123.79
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1Cl	REAL300000365350	0	31	-2.0	-111.86	318.93	2.86	-109.00
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365351	0	27	-2.0	-111.53	272.63	3.58	-107.95
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000365352	1	32	-2.0	-117.52	325.76	3.78	-113.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CC=C1Cl	REAL300000365353	1	31	-2.0	-116.64	311.16	6.72	-109.92
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000365354	1	34	-2.0	-132.24	323.77	6.61	-125.63
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000365355	0	30	-2.0	-129.17	310.26	6.82	-122.35
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365356	0	33	-2.0	-139.63	316.27	1.53	-138.10
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000365357	1	31	-2.0	-115.30	317.68	3.82	-111.48
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000365358	0	27	-2.0	-125.95	276.19	3.81	-122.14
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000365360	0	27	-2.0	-111.08	277.09	3.79	-107.29
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000365363	1	28	-2.0	-112.34	298.27	6.20	-106.14
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000365364	0	37	-2.0	-132.36	337.38	5.99	-126.37
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000365365	0	36	-2.0	-132.55	327.87	6.83	-125.72
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365366	0	38	-2.0	-122.56	348.46	4.61	-117.95
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365369	1	35	-2.0	-133.60	331.61	3.06	-130.54
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(=O)NC1=O	REAL300000365370	1	31	-2.0	-126.27	304.09	2.32	-123.95
CC(C)OC1(CS(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])CCOC1	REAL300000365371	1	42	-2.0	-120.15	351.96	4.54	-115.61
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000365372	1	39	-2.0	-124.30	360.39	4.72	-119.58
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365374	1	41	-2.0	-126.21	365.72	7.29	-118.92
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000365377	0	33	-2.0	-126.26	323.48	7.74	-118.52
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CN1CC1CC1	REAL300000365378	0	41	-2.0	-137.46	374.55	7.56	-129.90
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])O1	REAL300000365379	0	34	-2.0	-117.76	333.12	4.99	-112.77
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=C2C1	REAL300000365380	1	39	-2.0	-128.16	359.45	6.13	-122.03
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000365381	0	31	-2.0	-119.58	315.43	5.13	-114.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300000365382	1	36	-2.0	-118.99	339.35	7.97	-111.02
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365383	0	31	-2.0	-108.09	316.28	4.31	-103.78
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000365384	0	27	-2.0	-118.30	293.04	4.23	-114.07
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300000365385	1	38	-2.0	-136.17	341.78	9.03	-127.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(F)=C1F	REAL300000365386	0	31	-2.0	-126.81	307.81	6.40	-120.41
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=N1	REAL300000365388	0	30	-2.0	-134.48	304.04	4.52	-129.96
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C)=N1	REAL300000365389	0	40	-2.0	-119.79	363.60	6.38	-113.41
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365390	0	29	-3.0	-198.14	300.36	4.32	-193.82
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365391	0	32	-2.0	-116.44	304.60	5.61	-110.83
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C(C)C	REAL300000365392	1	44	-2.0	-123.12	385.66	7.88	-115.24
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000365393	1	40	-2.0	-119.94	353.90	7.88	-112.06
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365394	0	29	-2.0	-111.39	302.92	6.09	-105.30
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1C(F)(F)F	REAL300000365395	0	31	-2.0	-115.10	308.83	4.26	-110.84
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000365396	0	30	-2.0	-120.80	298.95	4.67	-116.13
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000365396	1	30	-2.0	-133.98	298.85	4.81	-129.17
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000365397	0	32	-2.0	-131.46	309.42	5.59	-125.87
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365398	0	38	-2.0	-120.71	336.68	5.75	-114.96
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C(C)(C)C)=N1	REAL300000365399	0	40	-2.0	-117.12	341.08	6.16	-110.96
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000365400	0	38	-2.0	-120.73	343.09	5.98	-114.75
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(Br)=N1	REAL300000365401	0	28	-2.0	-119.05	300.88	3.83	-115.22
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000365403	0	29	-2.0	-115.50	291.87	3.38	-112.12
O=C([O-])C1=C(Cl)C=CC=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000365403	1	29	-2.0	-101.67	285.69	4.21	-97.46
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365404	1	38	-2.0	-122.78	352.89	8.41	-114.37
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365405	0	34	-2.0	-116.87	314.85	4.68	-112.19
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000365406	0	33	-2.0	-120.91	321.47	6.11	-114.80
NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000365407	0	28	-2.0	-114.11	280.88	2.99	-111.12
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000365408	1	31	-2.0	-116.96	314.90	6.58	-110.38
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1CC	REAL300000365410	1	44	-2.0	-121.60	390.23	8.14	-113.46
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365411	1	35	-2.0	-123.62	339.44	7.58	-116.04
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365412	1	34	-2.0	-115.66	322.54	7.80	-107.86
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365413	0	28	-2.0	-111.62	294.93	1.42	-110.20
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000365415	0	24	-2.0	-113.61	262.42	3.33	-110.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365417	0	34	-3.0	-188.50	332.35	5.98	-182.52
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365417	1	35	-2.0	-110.25	329.55	5.94	-104.31
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000365418	0	32	-2.0	-117.21	315.22	1.23	-115.98
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365419	1	37	-2.0	-115.88	322.94	7.91	-107.97
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000365420	0	28	-2.0	-124.83	290.08	5.74	-119.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C(Cl)O1	REAL300000365421	0	27	-3.0	-181.86	304.25	5.16	-176.70
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000365422	0	33	-2.0	-132.92	311.92	6.13	-126.79
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365423	0	35	-2.0	-123.53	337.09	5.83	-117.70
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1F	REAL300000365424	0	29	-2.0	-125.22	301.48	6.05	-119.17
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365425	0	31	-2.0	-112.68	330.24	4.90	-107.78
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000365426	0	35	-2.0	-120.35	325.58	5.30	-115.05
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000365427	0	35	-2.0	-118.28	320.91	5.62	-112.66
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000365428	0	38	-2.0	-118.29	345.08	6.24	-112.05
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=NN2C1	REAL300000365429	0	39	-2.0	-127.56	350.72	3.63	-123.93
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300000365430	0	34	-2.0	-122.47	342.52	6.53	-115.94
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000365431	1	34	-2.0	-119.40	326.40	2.85	-116.55
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000365432	0	25	-2.0	-119.96	277.44	4.31	-115.65
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000365433	1	32	-2.0	-111.43	321.55	5.17	-106.26
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000365434	0	35	-2.0	-126.08	320.06	5.65	-120.43
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000365435	0	32	-2.0	-118.98	316.88	5.06	-113.92
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000365436	1	44	-2.0	-122.44	378.49	7.65	-114.79
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365437	0	38	-2.0	-127.31	350.14	7.02	-120.29
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365438	0	31	-2.0	-118.24	298.58	6.32	-111.92
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=C2O1	REAL300000365439	0	36	-2.0	-134.87	332.93	6.20	-128.67
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000365440	0	36	-2.0	-119.94	344.35	5.29	-114.65
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=C2)CC1	REAL300000365441	1	36	-2.0	-122.88	343.92	7.84	-115.04
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365442	0	32	-2.0	-126.02	312.16	6.28	-119.74
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000365443	0	25	-2.0	-118.00	281.11	5.06	-112.94
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365444	0	28	-2.0	-110.40	297.63	3.75	-106.65
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000365445	0	30	-2.0	-111.58	309.58	4.79	-106.79
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365446	0	33	-2.0	-138.27	317.40	5.22	-133.05
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000365447	1	29	-2.0	-110.34	290.56	4.42	-105.92
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000365448	0	31	-2.0	-125.75	314.52	7.06	-118.69
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000365449	0	31	-2.0	-136.53	320.59	5.33	-131.20
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365450	0	35	-2.0	-116.98	327.62	5.34	-111.64
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C)=C1F	REAL300000365451	1	37	-2.0	-119.86	331.59	7.99	-111.87
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1OC	REAL300000365452	0	36	-2.0	-122.14	327.57	5.38	-116.76
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300000365453	1	37	-2.0	-131.31	344.01	2.85	-128.46
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000365454	0	31	-2.0	-126.02	305.46	5.91	-120.11
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1OC	REAL300000365455	0	36	-2.0	-132.09	335.11	5.94	-126.15
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C2CCCC2)=N1	REAL300000365456	0	41	-2.0	-125.56	364.48	6.52	-119.04
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C2CC2)=N1	REAL300000365457	0	35	-2.0	-122.58	330.98	5.55	-117.03
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300000365458	1	32	-2.0	-121.87	314.92	5.21	-116.66
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000365459	0	31	-2.0	-131.01	305.12	4.84	-126.17
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C=CC=C21	REAL300000365460	0	33	-2.0	-142.19	320.23	4.02	-138.17
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=C21	REAL300000365461	0	35	-2.0	-122.53	316.35	7.59	-114.94
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CN=C1N	REAL300000365462	1	32	-2.0	-121.82	303.70	3.33	-118.49
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365463	0	28	-2.0	-119.35	292.97	1.50	-117.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])N=CN1	REAL300000365464	0	28	-2.0	-133.52	274.61	3.70	-129.82
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000365466	0	31	-2.0	-119.79	309.40	6.01	-113.78
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C2CCC2)=N1	REAL300000365467	0	38	-2.0	-124.39	347.20	6.03	-118.36
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365468	1	46	-2.0	-125.36	389.27	9.52	-115.84
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000365469	0	25	-2.0	-117.42	281.52	5.17	-112.25
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000365470	0	38	-2.0	-121.03	349.68	6.28	-114.75
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000365471	0	32	-2.0	-126.40	313.80	6.74	-119.66
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365472	1	41	-2.0	-131.30	365.47	4.03	-127.27
COC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000365473	0	37	-2.0	-149.14	341.10	6.84	-142.30
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365474	1	37	-2.0	-124.62	340.07	7.84	-116.78
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365475	0	34	-2.0	-114.05	331.96	3.96	-110.09
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365476	0	35	-2.0	-121.47	321.37	5.16	-116.31
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365477	1	34	-2.0	-122.67	305.81	7.30	-115.37
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365478	0	37	-2.0	-114.37	322.72	5.53	-108.84
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000365479	0	37	-2.0	-120.75	340.18	5.33	-115.42
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000365480	0	35	-2.0	-120.63	324.26	4.72	-115.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=CN=C1C(F)(F)F	REAL300000365481	0	33	-2.0	-111.60	326.60	5.45	-106.15
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000365482	0	39	-2.0	-120.27	349.95	6.44	-113.83
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C([N+](=O)[O-])=C1	REAL300000365483	0	30	-2.0	-103.97	314.70	6.37	-97.60
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300000365484	0	31	-2.0	-111.84	320.83	6.69	-105.15
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000365485	1	31	-2.0	-121.15	303.67	6.45	-114.70
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000365486	0	28	-2.0	-118.77	297.23	6.00	-112.77
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000365487	0	28	-2.0	-112.52	307.43	5.73	-106.79
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365488	0	31	-2.0	-115.53	296.85	3.90	-111.63
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000365490	1	34	-2.0	-123.11	308.18	6.94	-116.17
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000365491	0	31	-2.0	-120.84	303.47	6.66	-114.18
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365492	1	39	-2.0	-132.59	360.26	7.66	-124.93
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=CC=C21	REAL300000365494	1	38	-2.0	-125.47	355.92	7.31	-118.16
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365495	1	37	-2.0	-122.62	354.10	7.28	-115.34
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1Cl	REAL300000365496	0	29	-2.0	-120.29	308.31	6.47	-113.82
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000365497	0	28	-2.0	-119.65	295.26	5.86	-113.79
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000365498	1	35	-2.0	-124.73	324.91	7.73	-117.00
COC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=CS1	REAL300000365499	0	29	-2.0	-125.27	297.94	4.07	-121.20
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300000365500	0	31	-2.0	-117.34	306.68	7.05	-110.29
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365501	0	34	-2.0	-117.08	340.65	5.94	-111.14
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000365502	0	35	-2.0	-127.25	330.40	7.80	-119.45
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000365503	0	38	-2.0	-118.89	340.49	6.24	-112.65
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365504	0	37	-2.0	-117.46	335.61	5.52	-111.94
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365505	1	37	-2.0	-127.62	346.89	3.14	-124.48
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365506	0	31	-2.0	-130.62	329.62	2.12	-128.50
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])C2=N1	REAL300000365507	0	33	-2.0	-133.34	319.28	3.98	-129.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])O1	REAL300000365508	0	31	-2.0	-122.76	301.76	5.22	-117.54
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000365509	0	28	-2.0	-114.62	299.54	4.84	-109.78
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365510	0	32	-2.0	-115.89	316.63	5.54	-110.35
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C2CCOCC2)=N1	REAL300000365511	0	42	-2.0	-121.92	374.02	4.77	-117.15
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365512	1	34	-2.0	-123.33	328.89	7.16	-116.17
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000365513	1	32	-2.0	-122.16	314.94	5.21	-116.95
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])S1	REAL300000365515	0	29	-2.0	-118.65	299.48	4.09	-114.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C2=NC=CC=C12	REAL300000365516	0	39	-2.0	-141.24	347.10	7.93	-133.31
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000365518	0	31	-2.0	-115.63	308.35	4.32	-111.31
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365519	1	38	-2.0	-124.66	352.60	6.32	-118.34
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1Cl	REAL300000365520	0	31	-2.0	-116.39	327.35	5.09	-111.30
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365521	0	38	-2.0	-119.40	355.36	6.82	-112.58
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000365522	0	41	-2.0	-120.23	362.07	6.57	-113.66
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000365523	1	31	-2.0	-122.02	296.23	6.59	-115.43
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365524	1	40	-2.0	-124.79	365.15	8.30	-116.49
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000365525	0	31	-2.0	-126.68	301.18	6.02	-120.66
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000365526	1	30	-2.0	-124.40	306.62	5.02	-119.38
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=N1	REAL300000365527	0	30	-2.0	-119.96	296.39	2.49	-117.47
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1Cl	REAL300000365528	0	31	-2.0	-115.30	317.35	4.55	-110.75
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300000365529	0	30	-2.0	-116.80	316.69	4.91	-111.89
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000365530	0	25	-2.0	-115.78	275.43	4.24	-111.54
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300000365531	1	33	-2.0	-131.54	328.88	6.60	-124.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C2=CC=CC=C12	REAL300000365532	1	37	-2.0	-133.23	334.46	8.47	-124.76
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300000365533	1	35	-2.0	-121.64	333.60	6.00	-115.64
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000365534	0	28	-2.0	-117.18	303.20	6.24	-110.94
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])O1	REAL300000365535	0	34	-2.0	-136.17	339.31	1.92	-134.25
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300000365536	0	38	-2.0	-125.95	351.38	6.98	-118.97
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000365538	0	32	-2.0	-122.85	319.49	6.94	-115.91
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000365539	0	31	-2.0	-109.48	321.14	6.44	-103.04
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300000365541	0	24	-2.0	-109.96	279.61	4.05	-105.91
CC1=COC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365542	0	28	-2.0	-121.80	280.27	4.29	-117.51
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000365543	1	38	-2.0	-121.51	362.35	7.52	-113.99
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1OC	REAL300000365544	0	33	-2.0	-120.01	328.61	3.64	-116.37
O=C([O-])C1=C(Cl)C=CC=C1NS(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000365545	0	29	-2.0	-87.69	309.43	4.23	-83.46
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000365545	1	28	-3.0	-183.42	312.26	4.66	-178.76
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000365546	0	27	-2.0	-106.36	293.31	4.27	-102.09
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300000365547	1	32	-2.0	-120.69	321.15	5.27	-115.42
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365548	0	34	-2.0	-121.63	319.08	5.63	-116.00
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3C(=O)[O-])=CC=C21	REAL300000365549	1	35	-2.0	-130.80	329.40	7.39	-123.41
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300000365550	0	31	-2.0	-122.94	306.37	7.02	-115.92
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300000365551	0	25	-2.0	-110.01	300.75	5.72	-104.29
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1Cl	REAL300000365552	0	28	-2.0	-114.76	295.57	3.67	-111.09
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300000365553	1	33	-2.0	-119.44	328.36	6.30	-113.14
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365554	0	34	-2.0	-131.90	312.27	7.43	-124.47
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])OC=C1	REAL300000365555	0	26	-2.0	-118.94	279.84	4.07	-114.87
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365556	0	30	-2.0	-110.35	303.43	5.03	-105.32
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365557	1	39	-2.0	-126.28	359.01	7.24	-119.04
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C2CC2)=N1	REAL300000365558	0	38	-2.0	-122.99	352.48	6.41	-116.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C2=NSN=C2C=C1	REAL300000365559	0	32	-2.0	-128.85	313.69	4.98	-123.87
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300000365560	1	34	-2.0	-120.71	338.32	8.40	-112.31
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(=O)NC(=O)N1	REAL300000365561	0	31	-2.0	-121.23	298.54	1.69	-119.54
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365562	0	41	-2.0	-120.54	362.45	6.82	-113.72
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000365563	0	25	-2.0	-117.02	274.45	4.12	-112.90
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000365564	0	25	-2.0	-115.15	284.49	5.14	-110.01
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365565	0	42	-2.0	-129.58	380.50	5.92	-123.66
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300000365566	0	34	-2.0	-126.14	334.53	8.48	-117.66
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365567	0	36	-2.0	-118.83	327.97	3.36	-115.47
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000365568	1	35	-2.0	-124.71	319.24	7.80	-116.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C)=N1	REAL300000365572	0	34	-2.0	-114.81	318.53	3.07	-111.74
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365573	0	34	-2.0	-126.96	323.09	3.44	-123.52
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365574	0	31	-2.0	-119.56	318.40	3.29	-116.27
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000365575	0	34	-2.0	-116.76	323.00	3.05	-113.71
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000365576	0	37	-2.0	-118.80	338.64	5.76	-113.04
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365577	0	37	-2.0	-120.97	339.29	5.36	-115.61
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300000365578	0	27	-2.0	-117.94	303.02	3.60	-114.34
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=CO1	REAL300000365579	0	26	-2.0	-121.54	278.66	4.03	-117.51
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])SC=C1	REAL300000365580	0	26	-2.0	-116.94	287.73	4.97	-111.97
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)[O-]	REAL300000365581	0	34	-2.0	-116.80	317.38	4.88	-111.92
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000365582	0	36	-2.0	-114.02	342.45	5.00	-109.02
O=C([O-])C1=C(Cl)C=CC=C1NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000365583	0	38	-2.0	-107.66	348.65	8.01	-99.65
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000365583	1	37	-3.0	-188.79	350.27	8.07	-180.72
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365584	0	31	-2.0	-125.91	314.98	7.40	-118.51
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000365585	0	35	-2.0	-115.90	327.89	5.75	-110.15
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000365586	0	35	-2.0	-124.02	327.63	6.85	-117.17
COC1=NOC(CS(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365587	1	31	-2.0	-112.55	306.74	1.97	-110.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=NN1C(C)C	REAL300000365588	0	37	-2.0	-118.96	338.77	5.43	-113.53
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300000365589	1	35	-2.0	-127.66	335.56	7.82	-119.84
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000365590	0	30	-2.0	-121.92	304.93	4.74	-117.18
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(S(=O)(=O)F)=CS1	REAL300000365591	0	28	-2.0	-118.24	315.09	1.75	-116.49
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300000365593	1	35	-2.0	-122.29	337.18	7.86	-114.43
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C12	REAL300000365594	0	32	-2.0	-124.98	326.14	6.09	-118.89
O=C([O-])C1=C(Cl)C=CC=C1NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000365595	0	38	-2.0	-106.75	346.60	8.00	-98.75
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000365595	1	37	-3.0	-203.55	348.23	8.06	-195.49
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000365596	1	29	-2.0	-123.77	286.70	2.77	-121.00
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000365597	0	31	-2.0	-126.12	313.35	6.56	-119.56
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000365598	0	24	-2.0	-111.37	261.33	3.23	-108.14
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000365599	0	32	-2.0	-136.32	323.74	4.88	-131.44
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300000365600	1	35	-2.0	-130.65	331.51	7.93	-122.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000365601	0	31	-2.0	-120.69	322.72	7.24	-113.45
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300000365602	0	35	-2.0	-123.28	343.58	6.68	-116.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C(C(F)F)=C1	REAL300000365603	1	35	-2.0	-125.51	324.83	6.18	-119.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C2=NC=CC=C12	REAL300000365604	0	36	-2.0	-140.73	333.41	6.79	-133.94
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000365605	0	33	-3.0	-184.03	322.46	6.07	-177.96
CCC1=C(S(=O)(=O)NC2=CC=CC(Cl)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000365605	1	34	-2.0	-95.05	322.47	5.69	-89.36
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365606	0	41	-2.0	-133.52	365.15	7.63	-125.89
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])C=C(Cl)S1	REAL300000365607	0	28	-2.0	-112.60	302.23	6.01	-106.59
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000365608	0	24	-2.0	-116.32	262.27	2.74	-113.58
O=C([O-])C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000365609	0	35	-2.0	-121.21	321.40	4.94	-116.27
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)[O-])=C1	REAL300000365610	0	31	-2.0	-128.35	302.58	6.36	-121.99
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000365611	0	42	-2.0	-140.30	374.56	5.29	-135.01
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365612	1	41	-2.0	-135.44	355.69	4.49	-130.95
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365614	0	36	-2.0	-145.12	328.28	4.92	-140.20
COC1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365615	0	39	-2.0	-106.23	351.61	4.29	-101.94
COC1=CC([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365615	1	38	-3.0	-199.28	353.24	4.36	-194.92
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365616	0	35	-2.0	-125.55	331.63	3.27	-122.28
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365617	0	37	-2.0	-131.75	340.64	5.02	-126.73
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365618	1	37	-2.0	-126.98	340.58	5.03	-121.95
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365619	0	36	-2.0	-133.57	342.01	5.21	-128.36
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=C(C(=O)[O-])C(OC)=C1	REAL300000365620	0	37	-2.0	-144.50	337.91	4.93	-139.57
COC1=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365621	0	39	-2.0	-121.66	351.08	5.17	-116.49
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365621	1	38	-3.0	-210.70	352.77	5.23	-205.47
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365622	0	41	-2.0	-134.60	366.66	5.95	-128.65
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365623	1	46	-2.0	-140.48	382.49	7.14	-133.34
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365624	0	39	-2.0	-106.92	346.53	5.15	-101.77
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365624	1	38	-3.0	-198.43	348.23	5.21	-193.22
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(OC)=CC(OC)=C2)=C1	REAL300000365625	0	44	-2.0	-145.13	377.51	3.72	-141.41
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(OC)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365626	1	44	-2.0	-135.42	378.50	3.85	-131.57
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365627	1	43	-2.0	-140.39	365.29	6.55	-133.84
COC1=CC([N-]S(=O)(=O)C2=C(C)ON=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365628	0	38	-2.0	-125.77	332.86	3.60	-122.17
COC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365629	0	39	-2.0	-122.68	346.52	5.13	-117.55
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365629	1	38	-3.0	-215.24	348.24	5.19	-210.05
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365630	1	36	-2.0	-124.95	332.47	4.77	-120.18
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365631	1	39	-2.0	-138.67	341.18	5.30	-133.37
COC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365633	0	36	-2.0	-132.94	336.50	5.16	-127.78
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365634	0	41	-2.0	-135.08	362.52	5.12	-129.96
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365635	1	42	-2.0	-137.48	356.68	6.08	-131.40
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365636	1	42	-2.0	-140.03	358.19	5.85	-134.18
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365637	1	36	-2.0	-125.34	342.36	5.21	-120.13
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365638	0	41	-2.0	-147.75	361.04	5.05	-142.70
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365639	1	42	-2.0	-136.88	356.68	6.08	-130.80
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365640	1	48	-2.0	-137.64	395.99	6.96	-130.68
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)C)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365641	1	45	-2.0	-137.35	380.02	6.57	-130.78
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1	REAL300000365642	1	48	-2.0	-136.88	398.46	7.24	-129.64
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C(C(=O)[O-])C(OC)=C1	REAL300000365643	0	33	-2.0	-128.05	328.76	4.26	-123.79
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1	REAL300000365644	1	45	-2.0	-136.84	384.16	6.87	-129.97
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC)=C(C(=O)[O-])C(OC)=C1	REAL300000365645	0	40	-2.0	-144.06	348.03	4.44	-139.62
COC1=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365646	0	42	-2.0	-108.56	362.36	5.66	-102.90
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365646	1	41	-3.0	-217.63	364.27	5.74	-211.89
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365647	0	36	-2.0	-131.45	337.84	4.83	-126.62
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C(C(=O)[O-])C(OC)=C1	REAL300000365648	0	36	-2.0	-136.92	332.91	5.21	-131.71
COC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365649	0	38	-2.0	-132.72	347.99	5.31	-127.41
COC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365650	0	41	-2.0	-129.19	363.49	6.10	-123.09
COC1=CC([N-]S(=O)(=O)C2=CC=CS2)=C(C(=O)[O-])C(OC)=C1	REAL300000365651	0	33	-2.0	-134.62	311.70	3.64	-130.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1	REAL300000365652	1	40	-2.0	-134.69	349.26	3.94	-130.75
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C(C(=O)[O-])C(OC)=C1	REAL300000365653	0	38	-2.0	-149.83	338.33	6.02	-143.81
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365654	1	39	-2.0	-137.88	341.18	5.32	-132.56
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1	REAL300000365655	1	43	-2.0	-134.42	371.12	4.87	-129.55
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365656	0	36	-2.0	-132.53	331.68	4.77	-127.76
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365657	0	36	-2.0	-133.08	326.18	4.70	-128.38
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365658	0	36	-2.0	-126.03	332.59	4.77	-121.26
COC1=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365659	1	48	-2.0	-139.19	383.86	7.39	-131.80
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365660	1	42	-2.0	-137.64	364.26	3.80	-133.84
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365661	1	45	-2.0	-137.77	371.33	6.99	-130.78
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365662	1	36	-2.0	-129.45	336.50	5.16	-124.29
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365663	0	38	-2.0	-122.74	348.01	5.31	-117.43
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365664	1	36	-2.0	-137.38	319.77	4.64	-132.74
COC1=CC([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365665	1	43	-2.0	-141.88	375.84	3.53	-138.35
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)S2)=C(C(=O)[O-])C(OC)=C1	REAL300000365666	0	36	-2.0	-136.30	333.60	4.44	-131.86
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365667	0	38	-3.0	-209.34	353.71	5.27	-204.07
COC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365668	0	41	-2.0	-132.48	358.02	5.91	-126.57
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365669	0	36	-2.0	-135.47	331.68	4.78	-130.69
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365670	1	40	-2.0	-130.24	355.52	1.46	-128.78
COC1=CC([N-]S(=O)(=O)C2=CC=C(SC)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365671	1	40	-2.0	-134.81	359.97	5.66	-129.15
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365672	1	41	-2.0	-131.88	361.80	3.10	-128.78
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(C(=O)[O-])C(OC)=C1	REAL300000365673	0	35	-3.0	-207.36	341.42	4.23	-203.13
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365674	0	39	-2.0	-129.52	351.53	2.14	-127.38
COC(=O)CCS(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-]	REAL300000365675	1	38	-2.0	-131.28	338.45	3.20	-128.08
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365676	0	42	-2.0	-105.11	359.89	5.90	-99.21
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365676	1	41	-3.0	-210.25	363.67	6.00	-204.25
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365677	0	42	-2.0	-134.77	357.39	3.73	-131.04
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1	REAL300000365678	0	42	-2.0	-130.84	374.54	5.31	-125.53
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1	REAL300000365679	0	43	-2.0	-135.27	376.21	2.92	-132.35
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365680	0	40	-2.0	-135.04	354.28	1.42	-133.62
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1	REAL300000365681	1	42	-2.0	-137.33	362.68	6.08	-131.25
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365682	1	42	-2.0	-141.58	365.71	6.91	-134.67
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1	REAL300000365683	1	46	-2.0	-135.78	396.35	5.14	-130.64
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(C)C)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365684	1	48	-2.0	-137.19	400.94	7.32	-129.87
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365685	1	36	-2.0	-128.41	326.17	4.70	-123.71
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365686	0	36	-2.0	-142.51	325.27	4.70	-137.81
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1	REAL300000365687	1	46	-2.0	-133.94	392.62	5.67	-128.27
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)=C(C(=O)[O-])C(OC)=C1	REAL300000365688	0	39	-2.0	-137.07	354.32	5.87	-131.20
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365689	1	39	-2.0	-127.43	341.66	5.46	-121.97
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C(C(=O)[O-])C(OC)=C1	REAL300000365690	0	36	-2.0	-127.60	339.31	5.27	-122.33
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365692	0	39	-3.0	-212.80	354.89	4.55	-208.25
COC1=CC(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365692	1	40	-2.0	-120.06	354.77	4.54	-115.52
COC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=C(C(=O)[O-])C(OC)=C1	REAL300000365693	0	36	-2.0	-143.51	337.25	4.21	-139.30
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365694	0	41	-2.0	-133.27	361.72	0.81	-132.46
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365695	1	40	-2.0	-132.08	355.49	4.02	-128.06
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365696	1	43	-2.0	-136.23	369.34	4.69	-131.54
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1C	REAL300000365697	1	46	-2.0	-135.95	391.21	5.60	-130.35
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365698	1	43	-2.0	-130.33	370.36	2.10	-128.23
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365699	0	36	-2.0	-132.33	324.32	2.36	-129.97
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365700	0	41	-2.0	-121.80	363.48	6.08	-115.72
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=CN1C	REAL300000365702	0	44	-2.0	-134.17	383.66	2.29	-131.88
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365703	1	39	-2.0	-131.28	351.99	5.95	-125.33
COC1=CC([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365704	1	43	-2.0	-126.93	379.29	5.06	-121.87
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(OC)C(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365705	1	46	-2.0	-137.23	393.36	5.53	-131.70
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365706	0	37	-2.0	-123.36	355.98	5.45	-117.91
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365707	0	37	-2.0	-123.99	355.95	5.46	-118.53
COC1=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365708	0	40	-2.0	-140.87	358.13	5.00	-135.87
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365709	1	39	-2.0	-134.17	355.24	5.75	-128.42
COC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365710	0	36	-2.0	-139.02	341.44	5.21	-133.81
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365711	1	39	-2.0	-133.91	346.49	5.35	-128.56
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365712	1	39	-2.0	-128.58	351.99	5.92	-122.66
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365713	0	39	-2.0	-143.14	346.69	5.37	-137.77
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365714	0	39	-2.0	-131.03	341.67	5.49	-125.54
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365715	1	42	-2.0	-135.29	379.82	6.71	-128.58
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=C(C(=O)[O-])C(OC)=C1	REAL300000365716	0	41	-2.0	-151.20	353.40	6.90	-144.30
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365717	0	35	-3.0	-209.18	339.89	4.24	-204.94
COC1=CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365717	1	36	-2.0	-118.32	339.49	4.23	-114.09
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C(C)=C1	REAL300000365718	1	43	-2.0	-134.11	364.74	4.72	-129.39
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(OC)C=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365719	1	46	-2.0	-135.02	384.38	5.46	-129.56
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2O)=C(C(=O)[O-])C(OC)=C1	REAL300000365720	0	40	-2.0	-136.45	350.96	3.00	-133.45
COC1=CC([N-]S(=O)(=O)C2=CNN=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365721	0	33	-2.0	-128.91	301.36	1.05	-127.86
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C(C(=O)[O-])C(OC)=C1	REAL300000365722	0	40	-2.0	-126.79	357.58	5.02	-121.77
COC1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365723	0	36	-2.0	-133.41	334.69	4.99	-128.42
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365724	0	38	-3.0	-202.07	351.24	4.34	-197.73
COC1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C(C(=O)[O-])C(OC)=C1	REAL300000365725	0	39	-2.0	-158.64	347.97	3.84	-154.80
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-]	REAL300000365726	0	46	-2.0	-146.78	391.30	6.02	-140.76
COC1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365727	0	35	-2.0	-126.03	321.18	2.93	-123.10
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=C(C(=O)[O-])C(OC)=C1	REAL300000365728	0	41	-2.0	-138.55	355.93	5.07	-133.48
COC1=CC([N-]S(=O)(=O)C2=CN(C)C=N2)=C(C(=O)[O-])C(OC)=C1	REAL300000365729	0	36	-2.0	-144.69	323.79	3.72	-140.97
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C(C)=C1	REAL300000365730	1	46	-2.0	-133.80	386.59	5.63	-128.17
COC1=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365731	0	40	-2.0	-124.86	359.53	1.62	-123.24
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365732	0	36	-2.0	-122.81	335.72	3.17	-119.64
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365733	0	36	-2.0	-140.42	331.55	4.77	-135.65
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C(C(=O)[O-])C(OC)=C1	REAL300000365734	0	42	-2.0	-143.57	362.91	4.27	-139.30
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C)=N2)=C(C(=O)[O-])C(OC)=C1	REAL300000365735	0	39	-2.0	-146.97	343.30	3.54	-143.43
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=N1	REAL300000365736	0	39	-2.0	-132.85	345.85	3.20	-129.65
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000365737	1	43	-2.0	-139.07	374.84	4.36	-134.71
COC1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365738	1	41	-2.0	-136.07	355.75	3.92	-132.15
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C(C(=O)[O-])C(OC)=C1	REAL300000365739	0	36	-2.0	-130.35	339.31	5.28	-125.07
COC1=CC([N-]S(=O)(=O)CCOCC(F)(F)F)=C(C(=O)[O-])C(OC)=C1	REAL300000365740	1	39	-2.0	-127.87	358.09	2.88	-124.99
COC1=CC([N-]S(=O)(=O)C2=CC=C3OC(C)CC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365741	1	44	-2.0	-136.21	376.69	5.25	-130.96
COC1=CC([N-]S(=O)(=O)C2=CNN=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365742	0	36	-2.0	-130.07	320.16	1.67	-128.40
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000365743	0	40	-2.0	-139.53	349.27	3.93	-135.60
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365744	1	39	-2.0	-136.24	335.26	5.41	-130.83
COC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365746	0	36	-2.0	-142.99	324.62	2.18	-140.81
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365747	0	36	-2.0	-127.74	320.02	2.26	-125.48
COCCS(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-]	REAL300000365748	1	36	-2.0	-128.30	316.67	1.44	-126.86
COC1=CC([N-]S(=O)(=O)CC2CCCO2)=C(C(=O)[O-])C(OC)=C1	REAL300000365749	1	40	-2.0	-136.75	339.13	2.82	-133.93
COC1=CC([N-]S(=O)(=O)CC2CCCCO2)=C(C(=O)[O-])C(OC)=C1	REAL300000365750	1	43	-2.0	-135.72	356.63	3.92	-131.80
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365753	0	39	-2.0	-142.62	346.69	5.38	-137.24
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365754	1	39	-2.0	-129.63	346.49	5.34	-124.29
COC1=CC([N-]S(=O)(=O)C2=CNC=N2)=C(C(=O)[O-])C(OC)=C1	REAL300000365755	0	33	-2.0	-142.20	301.08	2.03	-140.17
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])O1	REAL300000365756	0	39	-2.0	-129.91	359.32	3.44	-126.47
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C(C(=O)[O-])C(OC)=C1	REAL300000365757	0	41	-2.0	-155.23	359.71	5.27	-149.96
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365758	0	36	-2.0	-125.99	337.95	4.83	-121.16
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365759	0	38	-2.0	-126.96	350.43	3.85	-123.11
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C)=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365760	1	46	-2.0	-135.50	381.11	5.36	-130.14
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365762	0	48	-2.0	-136.39	398.89	5.25	-131.14
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CS2)=C(C(=O)[O-])C(OC)=C1	REAL300000365763	0	36	-2.0	-136.20	328.00	4.46	-131.74
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1C	REAL300000365764	0	45	-2.0	-135.35	378.28	4.56	-130.79
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365765	0	41	-2.0	-123.95	363.99	5.83	-118.12
COC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365768	1	40	-2.0	-129.47	356.03	5.82	-123.65
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365769	1	40	-2.0	-126.16	356.02	5.80	-120.36
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365771	0	37	-2.0	-131.14	346.08	5.08	-126.06
COC1=CC([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365772	0	41	-2.0	-134.64	363.42	2.30	-132.34
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365773	0	42	-2.0	-133.59	364.53	3.74	-129.85
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365775	1	41	-2.0	-138.24	360.74	5.02	-133.22
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=N1	REAL300000365776	0	42	-2.0	-140.99	379.13	3.40	-137.59
COC1=CC([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=C(C(=O)[O-])C(OC)=C1	REAL300000365777	0	42	-2.0	-147.91	363.74	3.07	-144.84
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365780	0	36	-2.0	-118.91	338.77	4.83	-114.08
COC1=CC([N-]S(=O)(=O)CCOC(C)C)=C(C(=O)[O-])C(OC)=C1	REAL300000365781	1	42	-2.0	-129.31	358.79	3.16	-126.15
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=CN1C	REAL300000365782	0	43	-2.0	-139.26	380.94	4.74	-134.52
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365783	0	39	-2.0	-106.34	350.85	5.16	-101.18
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365783	1	38	-3.0	-196.90	352.75	5.24	-191.66
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365784	1	42	-2.0	-130.78	366.81	5.98	-124.80
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(C(=O)[O-])C(OC)=C1	REAL300000365785	0	35	-3.0	-200.86	340.49	4.33	-196.53
COC1=CC([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=C(C(=O)[O-])C(OC)=C1	REAL300000365786	0	45	-2.0	-144.95	384.32	5.88	-139.07
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365787	0	38	-3.0	-204.46	354.64	5.27	-199.19
COC1=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365787	1	39	-2.0	-102.40	352.99	5.20	-97.20
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=CN1	REAL300000365788	0	40	-2.0	-135.70	363.17	2.97	-132.73
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365789	0	38	-3.0	-199.78	353.70	5.27	-194.51
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365790	0	39	-2.0	-132.62	340.57	5.45	-127.17
COC1=CC([N-]S(=O)(=O)C2=C(C)N=C(C)S2)=C(C(=O)[O-])C(OC)=C1	REAL300000365791	0	38	-2.0	-133.42	345.00	3.22	-130.20
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365792	1	40	-2.0	-140.11	362.03	5.81	-134.30
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000365793	1	42	-2.0	-139.02	362.66	6.07	-132.95
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365794	0	39	-2.0	-133.67	347.59	5.38	-128.29
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000365796	0	42	-2.0	-131.67	377.67	4.11	-127.56
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365797	0	39	-2.0	-133.17	351.96	5.41	-127.76
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C(C(=O)[O-])C(OC)=C1	REAL300000365798	0	42	-2.0	-147.15	360.82	6.95	-140.20
COC1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365799	0	38	-2.0	-134.59	351.76	4.12	-130.47
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C(C(=O)[O-])C(OC)=C1	REAL300000365800	0	39	-3.0	-206.34	357.95	2.92	-203.42
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C(C(=O)[O-])C(OC)=C1	REAL300000365801	1	46	-2.0	-141.77	375.10	7.27	-134.50
COC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365802	0	42	-2.0	-105.86	368.80	5.93	-99.93
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365802	1	41	-3.0	-200.41	370.41	5.98	-194.43
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])O1	REAL300000365803	0	42	-2.0	-130.33	381.18	4.37	-125.96
COC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(OC)=CC(OC)=C2)SC=C1	REAL300000365805	0	37	-2.0	-142.90	341.94	2.91	-139.99
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C(C(=O)[O-])C(OC)=C1	REAL300000365806	0	39	-2.0	-140.66	349.54	5.03	-135.63
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365807	0	36	-2.0	-125.24	335.82	3.56	-121.68
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=C(C(=O)[O-])C(OC)=C1	REAL300000365808	0	36	-2.0	-144.02	340.12	3.45	-140.57
COC1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=CC(OC)=C1	REAL300000365809	0	44	-2.0	-140.89	378.77	3.25	-137.64
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C(C(=O)[O-])C(OC)=C1	REAL300000365810	0	37	-2.0	-142.69	335.61	3.37	-139.32
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=C(C(=O)[O-])C(OC)=C1	REAL300000365811	0	37	-2.0	-124.88	341.99	2.47	-122.41
COC1=CC([N-]S(=O)(=O)C2=CN=C(C)S2)=C(C(=O)[O-])C(OC)=C1	REAL300000365812	0	35	-2.0	-132.19	328.30	2.47	-129.72
COC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365813	0	42	-2.0	-123.15	355.35	5.81	-117.34
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365813	1	41	-3.0	-216.12	358.27	5.84	-210.28
COCCOCCS(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-]	REAL300000365814	1	43	-2.0	-131.90	372.15	1.67	-130.23
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365815	0	42	-2.0	-105.24	359.86	5.90	-99.34
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365815	1	41	-3.0	-197.60	363.65	5.98	-191.62
COC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365816	0	37	-2.0	-131.87	349.07	5.33	-126.54
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365817	0	39	-2.0	-135.81	351.96	5.42	-130.39
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1CC	REAL300000365818	1	48	-2.0	-140.23	396.84	7.20	-133.03
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=C(C(=O)[O-])C(OC)=C1	REAL300000365820	0	42	-2.0	-144.73	365.22	5.02	-139.71
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=N1	REAL300000365821	0	41	-2.0	-126.40	370.52	3.47	-122.93
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000365822	0	44	-2.0	-147.86	382.87	5.91	-141.95
COCCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=N1	REAL300000365823	0	43	-2.0	-130.64	379.53	2.25	-128.39
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)=C(C(=O)[O-])C(OC)=C1	REAL300000365825	0	40	-2.0	-146.31	357.05	5.45	-140.86
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=C(C(=O)[O-])C(OC)=C1	REAL300000365826	0	45	-2.0	-137.50	392.77	6.29	-131.21
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000365827	0	42	-2.0	-144.15	367.10	5.39	-138.76
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365828	0	44	-2.0	-131.14	377.81	2.40	-128.74
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365829	0	39	-2.0	-144.19	345.59	5.35	-138.84
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=N1	REAL300000365830	0	42	-2.0	-129.12	368.80	2.26	-126.86
COC1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C(C(=O)[O-])C(OC)=C1	REAL300000365831	0	43	-2.0	-148.50	365.56	4.68	-143.82
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1	REAL300000365832	1	43	-2.0	-136.45	374.84	4.38	-132.07
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(OC)=CC(OC)=C2)=C1	REAL300000365833	0	41	-2.0	-136.18	359.04	1.63	-134.55
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)=C(C(=O)[O-])C(OC)=C1	REAL300000365834	0	39	-2.0	-138.40	351.64	5.79	-132.61
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365836	0	39	-2.0	-133.25	342.73	4.21	-129.04
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365837	1	44	-2.0	-137.17	373.48	5.28	-131.89
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-]	REAL300000365838	0	43	-2.0	-136.14	366.39	4.67	-131.47
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365839	1	46	-2.0	-135.01	389.04	5.48	-129.53
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)O2)=C(C(=O)[O-])C(OC)=C1	REAL300000365840	0	36	-2.0	-136.60	324.37	3.47	-133.13
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)S2)=C(C(=O)[O-])C(OC)=C1	REAL300000365841	0	39	-2.0	-137.82	351.99	5.00	-132.82
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365842	1	39	-2.0	-132.06	345.82	3.31	-128.75
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365843	0	36	-2.0	-126.55	342.92	5.23	-121.32
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C(C)O1	REAL300000365844	0	42	-2.0	-127.34	377.65	4.20	-123.14
COC1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365845	0	35	-2.0	-126.34	331.52	3.35	-122.99
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])N=C1C	REAL300000365846	0	42	-2.0	-147.57	365.39	4.43	-143.14
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)=C(C(=O)[O-])C(OC)=C1	REAL300000365847	0	39	-2.0	-137.58	354.32	5.88	-131.70
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000365848	0	42	-3.0	-214.65	376.26	5.42	-209.23
CCN1C=C(S(=O)(=O)NC2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000365848	1	43	-2.0	-121.39	376.13	5.41	-115.98
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000365849	0	39	-2.0	-134.24	359.66	3.39	-130.85
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-]	REAL300000365850	0	48	-2.0	-136.45	399.26	5.21	-131.24
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C(C(=O)[O-])C(OC)=C1	REAL300000365851	0	36	-2.0	-140.82	335.83	5.43	-135.39
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)=C(C(=O)[O-])C(OC)=C1	REAL300000365852	0	38	-2.0	-135.19	349.67	3.96	-131.23
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2OC)=C(C(=O)[O-])C(OC)=C1	REAL300000365853	0	41	-2.0	-133.19	368.82	4.82	-128.37
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])S1	REAL300000365854	0	38	-2.0	-132.04	349.79	3.22	-128.82
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365855	1	43	-2.0	-132.14	369.86	4.77	-127.37
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=C(C(=O)[O-])C(OC)=C1	REAL300000365856	0	37	-2.0	-126.29	353.66	5.59	-120.70
COC1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365857	0	39	-2.0	-147.55	347.71	4.96	-142.59
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000365858	0	41	-2.0	-131.99	369.73	3.50	-128.49
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)=C(C(=O)[O-])C(OC)=C1	REAL300000365862	0	36	-2.0	-129.10	348.77	4.86	-124.24
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365863	1	39	-2.0	-137.53	351.96	5.51	-132.02
COC1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365864	0	39	-2.0	-130.32	357.70	3.54	-126.78
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2SC)=C(C(=O)[O-])C(OC)=C1	REAL300000365865	0	40	-2.0	-142.51	355.86	5.70	-136.81
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365866	1	40	-2.0	-128.39	355.49	4.02	-124.37
COC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365867	0	35	-2.0	-142.97	332.47	5.03	-137.94
COC1=CC([N-]S(=O)(=O)C2=CC=CO2)=C(C(=O)[O-])C(OC)=C1	REAL300000365868	0	33	-2.0	-134.80	302.46	2.64	-132.16
COC1=CC([N-]S(=O)(=O)C2=CN=NN2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365869	0	35	-2.0	-122.35	314.18	1.06	-121.29
COC1=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=C(C(=O)[O-])C(OC)=C1	REAL300000365870	0	41	-2.0	-130.27	364.13	3.76	-126.51
COC1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365871	0	35	-2.0	-124.77	340.94	4.41	-120.36
COC1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C(C(=O)[O-])C(OC)=C1	REAL300000365872	0	40	-2.0	-141.75	347.90	4.07	-137.68
COC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=C(C(=O)[O-])C(OC)=C1	REAL300000365873	0	37	-2.0	-129.13	353.68	5.60	-123.53
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-]	REAL300000365874	1	42	-2.0	-130.49	345.47	6.16	-124.33
COC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C(C(=O)[O-])C(OC)=C1	REAL300000365876	0	40	-2.0	-152.22	358.17	4.72	-147.50
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C(C(=O)[O-])C(OC)=C1	REAL300000365878	0	37	-2.0	-144.00	344.55	2.94	-141.06
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000365879	0	39	-2.0	-133.11	344.35	2.11	-131.00
COC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2C)OCO3)=C(C(=O)[O-])C(OC)=C1	REAL300000365880	1	42	-2.0	-131.45	361.27	4.07	-127.38
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=C(C(=O)[O-])C(OC)=C1	REAL300000365883	0	40	-2.0	-139.73	344.52	5.95	-133.78
COC1=CC([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365884	1	40	-2.0	-139.75	362.02	5.80	-133.95
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(F)C=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365885	1	42	-2.0	-128.75	356.43	6.41	-122.34
COC1=CC([N-]S(=O)(=O)C2=C(C)ON=C2N)=C(C(=O)[O-])C(OC)=C1	REAL300000365886	0	37	-2.0	-125.40	327.31	2.02	-123.38
COC1=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365887	0	37	-2.0	-130.10	347.27	3.41	-126.69
COC1=CC([N-]S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365888	0	47	-2.0	-135.50	401.03	5.41	-130.09
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(OC)=CC(OC)=C2)=C1	REAL300000365889	1	43	-2.0	-137.77	364.74	4.73	-133.04
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=C(C(=O)[O-])C(OC)=C1	REAL300000365891	0	34	-2.0	-124.67	332.29	4.20	-120.47
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365892	0	38	-2.0	-133.75	336.37	3.46	-130.29
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365893	0	41	-2.0	-137.60	360.95	5.01	-132.59
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365894	1	40	-2.0	-127.23	359.74	5.54	-121.69
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365895	0	35	-2.0	-119.90	337.51	3.33	-116.57
COC1=CC([N-]S(=O)(=O)CC(C)OC)=C(C(=O)[O-])C(OC)=C1	REAL300000365896	1	39	-2.0	-133.54	335.33	2.61	-130.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C(F)=C1	REAL300000365897	0	40	-2.0	-139.51	354.76	4.01	-135.50
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C(C(=O)[O-])C(OC)=C1	REAL300000365898	1	42	-2.0	-136.00	365.50	5.16	-130.84
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365899	1	39	-2.0	-134.53	351.96	5.52	-129.01
COC1=CC([N-]S(=O)(=O)C2=C(C)C=NN2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365901	0	39	-2.0	-129.02	336.64	3.10	-125.92
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=C(C(=O)[O-])C(OC)=C1	REAL300000365903	0	34	-2.0	-126.18	323.70	3.17	-123.01
COC1=CC([N-]S(=O)(=O)C2=CSC=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365904	0	33	-2.0	-132.20	310.87	3.55	-128.65
COC1=CC([N-]S(=O)(=O)C2=COC=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365905	0	33	-2.0	-132.50	302.31	2.52	-129.98
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365906	0	42	-2.0	-107.22	362.80	5.70	-101.52
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365906	1	41	-3.0	-201.00	368.29	5.84	-195.16
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365907	0	39	-2.0	-128.93	346.95	1.33	-127.60
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365908	0	36	-2.0	-135.78	342.01	5.23	-130.55
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-]	REAL300000365909	0	47	-2.0	-132.42	397.91	5.74	-126.68
COC1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C(C(=O)[O-])C(OC)=C1	REAL300000365910	0	39	-2.0	-139.48	356.30	6.02	-133.46
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C(C(=O)[O-])C(OC)=C1	REAL300000365911	0	39	-2.0	-141.36	346.38	3.27	-138.09
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000365912	0	43	-2.0	-139.89	371.12	4.86	-135.03
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-]	REAL300000365913	0	42	-2.0	-164.74	364.18	2.22	-162.52
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C(C(=O)[O-])C(OC)=C1	REAL300000365914	0	33	-2.0	-131.72	327.75	4.08	-127.64
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CS2)=C(C(=O)[O-])C(OC)=C1	REAL300000365915	0	36	-2.0	-135.15	333.34	4.31	-130.84
COC1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C(C(=O)[O-])C(OC)=C1	REAL300000365916	0	33	-2.0	-129.89	318.06	1.45	-128.44
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365917	0	35	-2.0	-130.77	326.67	2.74	-128.03
COC1=CC([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365918	0	45	-2.0	-131.65	384.22	3.69	-127.96
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365919	0	45	-2.0	-129.79	388.95	3.18	-126.61
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365920	1	44	-2.0	-134.70	380.31	5.59	-129.11
COC1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C(C(=O)[O-])C(OC)=C1	REAL300000365921	0	39	-2.0	-133.33	355.96	5.11	-128.22
COC1=CC([N-]S(=O)(=O)C2=CC(C)=NS2)=C(C(=O)[O-])C(OC)=C1	REAL300000365922	0	35	-2.0	-128.02	328.27	2.93	-125.09
COC1=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=C(C(=O)[O-])C(OC)=C1	REAL300000365924	0	40	-2.0	-165.89	350.92	1.91	-163.98
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365925	1	43	-2.0	-137.44	369.00	6.75	-130.69
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C(C(=O)[O-])C(OC)=C1	REAL300000365926	0	33	-2.0	-133.69	318.05	3.67	-130.02
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365927	0	37	-2.0	-123.27	346.48	5.08	-118.19
COC1=CC([N-]S(=O)(=O)CC(OC)C2=CC=CC=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365928	0	46	-2.0	-135.51	395.56	5.32	-130.19
COCC1(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])CC1	REAL300000365929	1	40	-2.0	-130.67	331.35	4.03	-126.64
COC1=CC([N-]S(=O)(=O)N=S(C)(C)=O)=C(C(=O)[O-])C(OC)=C1	REAL300000365930	0	36	-2.0	-162.57	325.13	0.59	-161.98
COC1=CC([N-]S(=O)(=O)C2=NC=CN2)=C(C(=O)[O-])C(OC)=C1	REAL300000365931	0	33	-2.0	-136.65	301.40	1.22	-135.43
COC1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365932	0	41	-2.0	-141.29	356.77	1.54	-139.75
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)S2)=C(C(=O)[O-])C(OC)=C1	REAL300000365933	0	39	-2.0	-137.94	349.89	5.25	-132.69
COC1=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365934	0	37	-2.0	-123.39	343.15	3.51	-119.88
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365935	0	38	-2.0	-125.42	347.33	4.02	-121.40
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])CC1	REAL300000365938	1	45	-2.0	-139.35	385.67	5.97	-133.38
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365939	0	39	-2.0	-131.67	340.44	2.86	-128.81
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1	REAL300000365940	1	40	-2.0	-137.86	350.86	5.73	-132.13
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365941	0	39	-2.0	-133.84	343.16	2.99	-130.85
COC1=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365942	0	36	-2.0	-124.33	335.68	3.24	-121.09
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-]	REAL300000365943	1	44	-2.0	-133.23	368.06	4.59	-128.64
COC1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C(C(=O)[O-])C(OC)=C1	REAL300000365945	0	36	-2.0	-131.25	335.42	2.16	-129.09
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365946	0	38	-3.0	-225.97	351.88	5.23	-220.74
COC1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365947	0	38	-2.0	-148.65	350.97	4.06	-144.59
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365948	1	41	-2.0	-140.04	355.58	4.48	-135.56
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)=C(C(=O)[O-])C(OC)=C1	REAL300000365950	0	39	-2.0	-137.21	346.90	6.12	-131.09
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C(C(=O)[O-])C(OC)=C1	REAL300000365951	0	41	-2.0	-148.77	356.08	4.46	-144.31
CCC(CS(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-])OC	REAL300000365952	1	42	-2.0	-133.22	353.55	2.94	-130.28
COC1=CC([N-]S(=O)(=O)CC(CC(C)C)OC)=C(C(=O)[O-])C(OC)=C1	REAL300000365953	1	48	-2.0	-133.80	390.11	4.19	-129.61
COC1=CC([N-]S(=O)(=O)CCOCC2CC2)=C(C(=O)[O-])C(OC)=C1	REAL300000365954	1	43	-2.0	-129.16	370.20	3.98	-125.18
COC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365956	0	39	-2.0	-144.57	349.69	5.60	-138.97
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=C(C(=O)[O-])C(OC)=C1	REAL300000365957	0	41	-2.0	-135.02	363.63	3.10	-131.92
COC1=CC([N-]S(=O)(=O)CC(OC)C2CC2)=C(C(=O)[O-])C(OC)=C1	REAL300000365958	1	43	-2.0	-135.68	361.02	4.42	-131.26
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC)=C(C(=O)[O-])C(OC)=C1	REAL300000365959	0	40	-2.0	-138.63	354.44	4.50	-134.13
COC1=CC([N-]S(=O)(=O)C2=CON=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365960	0	35	-2.0	-124.84	316.73	2.59	-122.25
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365961	1	39	-2.0	-130.89	355.24	5.74	-125.15
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365962	0	42	-2.0	-146.80	367.87	5.62	-141.18
COC1=CC([N-]S(=O)(=O)N=S(C)(=O)N(C)C)=C(C(=O)[O-])C(OC)=C1	REAL300000365963	0	41	-2.0	-154.11	361.30	0.59	-153.52
COC1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365964	0	35	-2.0	-139.82	320.28	2.82	-137.00
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365967	0	35	-2.0	-124.31	321.18	2.79	-121.52
COC1=CC([N-]S(=O)(=O)CCOCC2CCC2)=C(C(=O)[O-])C(OC)=C1	REAL300000365968	1	46	-2.0	-129.23	386.76	4.53	-124.70
COC1=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365969	0	34	-2.0	-139.07	330.17	4.03	-135.04
COC1=CC([N-]S(=O)(=O)CC(OC)C(C)C)=C(C(=O)[O-])C(OC)=C1	REAL300000365971	1	45	-2.0	-133.89	369.65	3.58	-130.31
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365972	0	36	-2.0	-125.92	342.36	5.21	-120.71
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C(C(=O)[O-])C(OC)=C1	REAL300000365973	0	44	-2.0	-147.63	371.96	5.86	-141.77
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365979	0	43	-2.0	-148.20	375.70	2.08	-146.12
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)=C(C(=O)[O-])C(OC)=C1	REAL300000365980	0	39	-2.0	-139.88	348.19	1.33	-138.55
CCOC(CS(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-])C1CC1	REAL300000365981	1	46	-2.0	-135.01	383.20	4.98	-130.03
COC1=CC([N-]S(=O)(=O)C2=CN=C(C)N2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365982	0	39	-2.0	-133.64	338.93	3.68	-129.96
COC1=CC([N-]S(=O)(=O)CC(OC)C2CCCC2)=C(C(=O)[O-])C(OC)=C1	REAL300000365983	1	49	-2.0	-132.33	393.45	4.96	-127.37
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])O1	REAL300000365984	0	42	-2.0	-131.24	377.22	4.02	-127.22
COC1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C(C(=O)[O-])C(OC)=C1	REAL300000365985	0	39	-2.0	-133.51	359.52	4.15	-129.36
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365986	0	35	-2.0	-131.82	337.13	3.24	-128.58
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000365987	0	39	-2.0	-141.00	351.86	5.42	-135.58
COC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C(C(=O)[O-])C(OC)=C1	REAL300000365988	0	38	-2.0	-148.63	346.87	3.62	-145.01
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C(C)=N1	REAL300000365989	0	48	-2.0	-133.59	407.69	5.40	-128.19
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(C(=O)[O-])C(OC)=C1	REAL300000365990	0	37	-3.0	-213.60	344.45	3.33	-210.27
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)=C(C(=O)[O-])C(OC)=C1	REAL300000365991	0	40	-2.0	-130.42	348.64	4.62	-125.80
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365992	0	37	-2.0	-124.77	346.96	5.11	-119.66
COC1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C(C(=O)[O-])C(OC)=C1	REAL300000365993	0	38	-2.0	-134.52	343.05	3.68	-130.84
COC1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C(C(=O)[O-])C(OC)=C1	REAL300000365993	1	38	-2.0	-148.45	342.94	3.83	-144.62
COC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C(C(=O)[O-])C(OC)=C1	REAL300000365994	0	40	-2.0	-146.11	353.52	4.59	-141.52
COC1=CC([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=C(C(=O)[O-])C(OC)=C1	REAL300000365995	0	46	-2.0	-134.60	380.77	4.74	-129.86
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=C(C(=O)[O-])C(OC)=C1	REAL300000365996	0	48	-2.0	-130.76	385.14	5.18	-125.58
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000365998	0	46	-2.0	-134.58	387.18	5.00	-129.58
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C(C(=O)[O-])C(OC)=C1	REAL300000366000	0	37	-2.0	-129.45	335.96	2.40	-127.05
COC1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C(C(=O)[O-])C(OC)=C1	REAL300000366000	1	37	-2.0	-112.62	329.99	3.28	-109.34
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])=C(C(=O)[O-])C(OC)=C1	REAL300000366000	1	36	-3.0	-236.80	332.40	3.26	-233.54
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C1	REAL300000366001	1	46	-2.0	-136.56	396.98	7.41	-129.15
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-]	REAL300000366002	0	42	-2.0	-130.61	358.90	3.69	-126.92
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366003	0	41	-2.0	-134.72	367.07	5.21	-129.51
COC1=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366004	0	36	-2.0	-127.33	324.99	2.00	-125.33
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2C#N)=C(C(=O)[O-])C(OC)=C1	REAL300000366005	0	40	-2.0	-143.67	359.28	5.59	-138.08
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)=C(C(=O)[O-])C(OC)=C1	REAL300000366006	0	40	-2.0	-139.97	351.27	5.86	-134.11
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366008	1	43	-2.0	-139.30	383.53	6.59	-132.71
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000366009	1	42	-2.0	-129.87	366.77	6.85	-123.02
COC1=NSC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(OC)=CC(OC)=C2)=C1	REAL300000366010	0	36	-2.0	-124.90	339.02	0.42	-124.48
COC1=CC([N-]S(=O)(=O)CC2CCCC(C)(C)O2)=C(C(=O)[O-])C(OC)=C1	REAL300000366011	1	49	-2.0	-138.19	391.82	4.84	-133.35
COC1=CC([N-]S(=O)(=O)C2=CC=NS2)=C(C(=O)[O-])C(OC)=C1	REAL300000366012	0	32	-2.0	-127.20	306.52	2.34	-124.86
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366015	0	40	-2.0	-131.04	359.29	0.23	-130.81
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-]	REAL300000366016	1	45	-2.0	-130.14	367.07	6.92	-123.22
COC1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C(C(=O)[O-])C(OC)=C1	REAL300000366017	0	36	-2.0	-129.85	340.01	4.55	-125.30
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C(C(=O)[O-])C(OC)=C1	REAL300000366019	0	41	-2.0	-147.55	356.02	5.15	-142.40
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000366020	0	43	-2.0	-137.24	381.19	4.85	-132.39
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000366021	0	37	-2.0	-139.14	345.60	5.06	-134.08
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=N2)=C(C(=O)[O-])C(OC)=C1	REAL300000366022	0	35	-2.0	-137.34	318.57	0.96	-136.38
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366023	0	43	-2.0	-134.20	369.68	4.33	-129.87
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C(C(=O)[O-])C(OC)=C1	REAL300000366024	0	43	-2.0	-131.84	367.06	4.54	-127.30
COC1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C(C(=O)[O-])C(OC)=C1	REAL300000366025	0	46	-2.0	-132.10	389.18	5.25	-126.85
COC1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C(C(=O)[O-])C(OC)=C1	REAL300000366026	0	43	-2.0	-137.50	362.68	4.71	-132.79
COC1=CC([N-]S(=O)(=O)C2=C(C)SC=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000366027	0	39	-2.0	-132.31	342.67	5.34	-126.97
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=C(C(=O)[O-])C(OC)=C1	REAL300000366028	0	44	-2.0	-149.90	377.19	5.23	-144.67
COC1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C(C(=O)[O-])C(OC)=C1	REAL300000366029	0	33	-2.0	-132.00	325.21	4.07	-127.93
COC1=CC([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000366030	0	41	-2.0	-152.29	360.46	4.24	-148.05
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-]	REAL300000366031	0	38	-2.0	-122.37	335.00	1.97	-120.40
COC1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366033	0	37	-2.0	-123.59	334.65	3.43	-120.16
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C(C(=O)[O-])C(OC)=C1	REAL300000366034	0	39	-2.0	-139.99	358.62	6.08	-133.91
COC1=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=C(C(=O)[O-])C(OC)=C1	REAL300000366035	0	43	-2.0	-130.49	371.71	4.37	-126.12
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000366036	1	45	-2.0	-134.19	375.52	6.99	-127.20
COC1=CC([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)=C(C(=O)[O-])C(OC)=C1	REAL300000366037	0	44	-2.0	-136.48	371.63	4.40	-132.08
COC1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C(C(=O)[O-])C(OC)=C1	REAL300000366038	0	39	-2.0	-140.25	349.55	4.92	-135.33
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=C(C(=O)[O-])C(OC)=C1	REAL300000366039	0	43	-2.0	-136.65	375.03	4.57	-132.08
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C(C(=O)[O-])C(OC)=C1	REAL300000366040	0	39	-2.0	-145.52	349.21	3.83	-141.69
COC1=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366041	0	41	-2.0	-156.98	364.32	3.04	-153.94
COC1=CC([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=C(C(=O)[O-])C(OC)=C1	REAL300000366042	0	43	-2.0	-136.83	360.45	6.61	-130.22
COC1=CC([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366043	0	40	-2.0	-136.01	347.78	2.34	-133.67
COC1=NSC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(OC)=CC(OC)=C1	REAL300000366044	0	36	-2.0	-133.11	337.07	0.51	-132.60
COC1=CC([N-]S(=O)(=O)C2=C(C)NC=N2)=C(C(=O)[O-])C(OC)=C1	REAL300000366045	0	36	-2.0	-144.03	318.89	2.73	-141.30
COC1=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366047	0	39	-2.0	-133.84	353.49	5.02	-128.82
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=C(C(=O)[O-])C(OC)=C1	REAL300000366048	0	46	-2.0	-138.51	391.31	5.04	-133.47
COC1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366049	0	33	-2.0	-131.44	325.62	4.16	-127.28
COC1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366050	0	46	-2.0	-134.87	393.75	5.29	-129.58
COC1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C(C(=O)[O-])C(OC)=C1	REAL300000366051	0	40	-2.0	-141.13	357.90	5.75	-135.38
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000366052	1	45	-2.0	-139.24	384.16	6.85	-132.39
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000366053	0	42	-2.0	-127.16	376.05	2.98	-124.18
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=C(C(=O)[O-])C(OC)=C1	REAL300000366054	0	37	-2.0	-137.21	344.29	5.00	-132.21
COC1=CC([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=C(C(=O)[O-])C(OC)=C1	REAL300000366055	0	43	-2.0	-135.04	364.45	4.23	-130.81
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000366057	1	42	-2.0	-137.05	349.91	6.32	-130.73
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=C(C(=O)[O-])C(OC)=C1	REAL300000366058	0	45	-2.0	-127.77	366.81	4.53	-123.24
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366059	0	45	-2.0	-134.73	384.27	4.36	-130.37
COC1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C(C(=O)[O-])C(OC)=C1	REAL300000366060	0	43	-2.0	-134.67	368.35	3.73	-130.94
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366061	0	47	-2.0	-134.26	394.04	5.44	-128.82
COC1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366062	1	39	-2.0	-135.51	347.76	5.46	-130.05
COC1=CC([N-]S(=O)(=O)C2=CC(C)=NN2C)=C(C(=O)[O-])C(OC)=C1	REAL300000366063	0	39	-2.0	-128.91	340.94	2.92	-125.99
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000366065	1	42	-2.0	-137.52	352.27	5.96	-131.56
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C(C(=O)[O-])C(OC)=C1	REAL300000366066	0	39	-2.0	-136.54	341.71	5.80	-130.74
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=C(C(=O)[O-])C(OC)=C1	REAL300000366067	0	37	-2.0	-133.92	352.40	5.49	-128.43
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366068	1	43	-2.0	-139.60	368.99	6.74	-132.86
COC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(OC)=CC(OC)=C2)C=CS1	REAL300000366069	0	37	-2.0	-139.79	342.04	3.09	-136.70
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000366070	0	43	-2.0	-141.62	374.49	6.80	-134.82
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C(C(=O)[O-])C(OC)=C1	REAL300000366071	0	46	-2.0	-132.82	384.59	5.23	-127.59
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(OC)=CC(OC)=C1C(=O)[O-]	REAL300000366072	0	45	-2.0	-131.20	379.71	4.54	-126.66
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=C(C(=O)[O-])C(OC)=C1	REAL300000366074	0	41	-2.0	-147.93	363.38	2.99	-144.94
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])O1	REAL300000366075	0	39	-2.0	-136.75	345.86	4.23	-132.52
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C(C(=O)[O-])C(OC)=C1	REAL300000366076	0	36	-2.0	-127.94	343.63	3.87	-124.07
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(OC)=CC(OC)=C2)S1	REAL300000366077	0	37	-2.0	-132.78	343.57	3.09	-129.69
COC1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366078	0	39	-2.0	-129.24	352.45	3.35	-125.89
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1	REAL300000366079	1	46	-2.0	-139.23	396.70	5.32	-133.91
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C(C(=O)[O-])C(OC)=C1	REAL300000366080	0	39	-2.0	-136.44	340.34	5.60	-130.84
COC1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C(C(=O)[O-])C(OC)=C1	REAL300000366081	0	39	-2.0	-140.73	345.28	5.04	-135.69
COC1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366082	0	38	-2.0	-138.61	350.71	4.04	-134.57
CCN1N=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=N1	REAL300000366083	0	38	-2.0	-133.55	340.49	1.51	-132.04
CCN1N=CC(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])=C1Cl	REAL300000366084	0	39	-2.0	-128.99	361.45	3.56	-125.43
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C(C(=O)[O-])C(OC)=C1	REAL300000366085	0	33	-2.0	-129.21	319.52	3.25	-125.96
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366086	1	43	-2.0	-135.71	377.70	5.02	-130.69
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C(C(=O)[O-])C(OC)=C1	REAL300000366088	0	40	-2.0	-137.36	363.60	5.96	-131.40
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CO2)=C(C(=O)[O-])C(OC)=C1	REAL300000366089	0	36	-2.0	-135.54	324.36	3.31	-132.23
COC1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366090	0	35	-2.0	-119.32	337.41	3.29	-116.03
COC1=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=C(C(=O)[O-])C(OC)=C1	REAL300000366091	0	42	-2.0	-135.38	363.18	4.65	-130.73
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=C(C(=O)[O-])C(OC)=C1	REAL300000366092	1	43	-2.0	-145.39	373.48	6.41	-138.98
COC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366093	0	36	-2.0	-128.21	339.66	2.68	-125.53
COC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C(C(=O)[O-])C(OC)=C1	REAL300000366094	0	34	-2.0	-132.89	323.93	3.09	-129.80
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000366095	0	38	-2.0	-123.83	347.53	4.01	-119.82
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C(C2CC2)=N1	REAL300000366096	0	46	-2.0	-137.13	396.57	5.43	-131.70
COC1=CC([N-]S(=O)(=O)C2=C(C)NC(=O)NC2=O)=C(C(=O)[O-])C(OC)=C1	REAL300000366097	0	39	-2.0	-139.25	342.84	0.38	-138.87
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366099	0	33	-2.0	-130.77	318.52	3.13	-127.64
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C(C(=O)[O-])C(OC)=C1	REAL300000366100	0	33	-2.0	-128.89	328.58	4.16	-124.73
COC1=CC([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=C(C(=O)[O-])C(OC)=C1	REAL300000366101	0	44	-2.0	-132.33	372.09	2.38	-129.95
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C(C(=O)[O-])C(OC)=C1	REAL300000366102	1	43	-2.0	-139.47	363.33	6.82	-132.65
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC)N=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000366104	0	42	-2.0	-128.41	362.62	2.07	-126.34
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)=C(C(=O)[O-])C(OC)=C1	REAL300000366105	0	42	-2.0	-141.49	367.19	2.48	-139.01
COC1=CC([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366106	0	42	-2.0	-130.48	367.09	2.04	-128.44
COC1=CC([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366107	0	45	-2.0	-133.36	382.72	4.80	-128.56
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)=C(C(=O)[O-])C(OC)=C1	REAL300000366108	0	45	-2.0	-134.88	383.35	4.38	-130.50
COC1=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366109	0	34	-2.0	-135.36	322.73	3.04	-132.32
COC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C(C(=O)[O-])C(OC)=C1	REAL300000366110	0	34	-2.0	-131.35	331.83	3.97	-127.38
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)C)=C(C(=O)[O-])C(OC)=C1	REAL300000366111	0	42	-2.0	-130.41	361.50	3.92	-126.49
COC1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C(C(=O)[O-])C(OC)=C1	REAL300000366112	0	43	-2.0	-129.55	371.99	4.76	-124.79
COC1=NOC(CS(=O)(=O)[N-]C2=C(C(=O)[O-])C(OC)=CC(OC)=C2)=C1	REAL300000366113	0	39	-2.0	-126.45	350.84	0.97	-125.48
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366114	0	45	-2.0	-133.23	384.26	4.38	-128.85
COC1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366115	0	38	-2.0	-131.53	347.12	3.68	-127.85
COC1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366117	0	37	-2.0	-137.88	330.79	1.78	-136.10
COC1=CC([N-]S(=O)(=O)C2=CSN=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366118	0	32	-2.0	-124.81	305.42	2.25	-122.56
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000366119	0	41	-3.0	-199.05	366.52	5.06	-193.99
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366120	0	36	-2.0	-126.46	345.02	5.05	-121.41
COC1=CC([N-]S(=O)(=O)C2=CN=CS2)=C(C(=O)[O-])C(OC)=C1	REAL300000366121	0	32	-2.0	-130.21	306.36	1.74	-128.47
COC1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C(C(=O)[O-])C(OC)=C1	REAL300000366122	0	43	-2.0	-135.31	365.50	3.96	-131.35
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=C(C(=O)[O-])C(OC)=C1	REAL300000366123	0	39	-2.0	-143.14	346.69	5.37	-137.77
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300000366124	1	40	-2.0	-94.38	374.34	2.19	-92.19
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000366125	1	33	-2.0	-116.90	322.41	3.64	-113.26
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)=O)C=C1	REAL300000366126	0	41	-2.0	-111.03	377.50	4.69	-106.34
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000366127	1	33	-2.0	-100.87	317.87	3.62	-97.25
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000366128	1	33	-2.0	-113.40	317.89	3.60	-109.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)=O)C=C1	REAL300000366129	0	37	-2.0	-117.65	346.02	3.40	-114.25
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000366130	1	37	-2.0	-100.35	349.33	4.90	-95.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000366131	1	36	-2.0	-115.17	337.97	4.26	-110.91
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000366132	0	33	-2.0	-116.17	330.95	4.18	-111.99
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000366133	1	33	-2.0	-115.35	330.39	4.00	-111.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)=C1C	REAL300000366134	1	39	-2.0	-123.74	350.27	4.92	-118.82
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000366135	0	33	-2.0	-118.03	323.35	3.67	-114.36
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000366136	1	39	-2.0	-99.37	361.44	5.19	-94.18
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000366137	0	30	-2.0	-113.76	311.06	2.62	-111.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)=O)C=C1	REAL300000366138	1	36	-2.0	-113.13	333.31	4.39	-108.74
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000366139	1	37	-2.0	-99.16	348.95	3.88	-95.28
CN1C=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000366140	0	34	-2.0	-111.86	324.53	2.95	-108.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)=C1	REAL300000366142	0	33	-2.0	-103.60	326.99	3.28	-100.32
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000366143	1	39	-2.0	-114.62	348.92	4.95	-109.67
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000366144	0	30	-2.0	-115.72	309.53	2.64	-113.08
COC1=CC(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000366145	1	41	-2.0	-113.09	376.16	3.42	-109.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000366146	1	37	-2.0	-118.69	345.17	3.68	-115.01
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1	REAL300000366147	1	43	-2.0	-116.88	373.11	6.24	-110.64
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)=O)C=C1	REAL300000366148	1	42	-2.0	-115.16	371.78	5.61	-109.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)=O)C=C1	REAL300000366149	1	39	-2.0	-120.51	348.02	5.32	-115.19
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)=O)C=C1	REAL300000366150	0	40	-2.0	-119.20	368.31	4.17	-115.03
CS(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000366151	0	36	-2.0	-118.80	348.98	4.12	-114.68
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000366151	1	35	-3.0	-188.27	346.28	4.17	-184.10
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000366152	1	40	-2.0	-126.14	362.12	5.51	-120.63
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000366153	0	33	-2.0	-106.70	320.91	2.75	-103.95
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000366154	1	39	-2.0	-118.12	360.04	3.38	-114.74
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)=C1	REAL300000366155	0	37	-2.0	-120.88	346.84	2.70	-118.18
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1	REAL300000366156	1	41	-2.0	-107.08	371.51	4.23	-102.85
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000366157	0	33	-2.0	-104.84	335.47	4.19	-100.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)=CC=C1OCC(=O)[O-]	REAL300000366158	1	40	-2.0	-99.50	369.04	4.59	-94.91
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)=O)C=C1	REAL300000366159	1	36	-2.0	-103.97	338.59	4.43	-99.54
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000366160	1	37	-2.0	-98.76	355.17	3.95	-94.81
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000366161	1	40	-2.0	-126.71	367.01	4.58	-122.13
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C=C(C(=O)[O-])S1	REAL300000366162	0	33	-2.0	-109.71	326.51	3.50	-106.21
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000366163	0	33	-2.0	-98.54	330.93	4.17	-94.37
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000366164	1	33	-2.0	-100.50	322.41	3.65	-96.85
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000366165	0	30	-2.0	-102.44	310.14	2.73	-99.71
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000366166	1	33	-2.0	-104.21	324.28	3.68	-100.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)=C1F	REAL300000366167	0	36	-2.0	-119.41	343.64	4.31	-115.10
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000366168	0	33	-2.0	-100.41	323.35	3.68	-96.73
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000366169	1	33	-2.0	-98.57	330.38	4.01	-94.56
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)=O)C=C1	REAL300000366170	1	36	-2.0	-105.57	347.32	4.80	-100.77
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1	REAL300000366171	1	41	-2.0	-97.12	381.62	5.02	-92.10
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000366172	1	33	-2.0	-102.16	328.71	3.70	-98.46
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000366173	0	35	-2.0	-98.14	346.07	4.28	-93.86
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000366174	0	34	-2.0	-111.67	327.59	1.32	-110.35
CS(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000366174	1	34	-2.0	-116.72	326.78	2.11	-114.61
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000366175	1	36	-2.0	-103.61	340.05	4.38	-99.23
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000366176	1	33	-2.0	-103.57	338.59	4.14	-99.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(S(C)=O)C=C1	REAL300000366177	1	36	-2.0	-116.31	331.70	4.35	-111.96
CC1=CC(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)=CC(C(=O)[O-])=C1F	REAL300000366178	1	36	-2.0	-111.71	342.71	4.26	-107.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(S(C)=O)C=C1	REAL300000366179	1	36	-2.0	-107.34	333.29	4.38	-102.96
CC1=CC(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)=CC(C(=O)[O-])=C1C	REAL300000366180	1	39	-2.0	-116.34	350.75	4.68	-111.66
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000366181	0	35	-2.0	-111.49	344.45	4.70	-106.79
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000366182	0	33	-2.0	-101.61	329.63	3.74	-97.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C(C)=C1C(=O)[O-]	REAL300000366183	1	39	-2.0	-114.32	351.27	5.02	-109.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000366184	0	36	-2.0	-119.22	339.35	4.21	-115.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)=C1Cl	REAL300000366185	0	36	-2.0	-118.01	349.64	4.75	-113.26
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)=C1	REAL300000366186	0	36	-2.0	-124.02	342.89	4.30	-119.72
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000366187	1	39	-2.0	-115.08	352.16	4.79	-110.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C=C1CC(=O)[O-]	REAL300000366188	1	40	-2.0	-116.67	368.35	3.73	-112.94
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(S(C)=O)C=C1	REAL300000366189	1	36	-2.0	-104.02	348.42	4.87	-99.15
CC1=CC(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000366190	1	36	-2.0	-110.49	349.10	4.57	-105.92
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000366191	0	37	-2.0	-113.03	345.90	3.83	-109.20
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000366193	1	36	-2.0	-107.49	351.66	4.67	-102.82
CC1=CC(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000366194	1	36	-2.0	-107.21	333.88	4.15	-103.06
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300000366195	0	38	-2.0	-111.84	358.60	5.77	-106.07
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)=O)C=C1	REAL300000366196	1	36	-2.0	-118.91	337.83	4.42	-114.49
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000366197	0	35	-2.0	-120.99	341.63	5.47	-115.52
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000366198	0	33	-2.0	-117.92	321.54	3.63	-114.29
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000366199	1	36	-2.0	-105.68	342.84	4.28	-101.40
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000366200	1	39	-2.0	-120.95	358.92	5.73	-115.22
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000366201	0	32	-2.0	-117.89	314.09	1.72	-116.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(S(C)=O)C=C1	REAL300000366202	0	37	-2.0	-105.01	346.08	3.40	-101.61
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000366203	0	30	-2.0	-100.79	318.03	2.58	-98.21
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000366204	1	40	-2.0	-107.28	361.86	5.43	-101.85
CS(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000366205	1	40	-2.0	-108.66	363.32	5.50	-103.16
CCC1=C(S(=O)(=O)[N-]C2=CC=C(S(C)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000366206	0	36	-2.0	-106.43	340.00	3.61	-102.82
NS(=O)(=O)C1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000366216	0	38	-2.0	-117.55	348.78	0.60	-116.95
CN(C1=CC=CC(O)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000366255	0	35	-2.0	-112.01	329.70	4.24	-107.77
CN(C1=CC=CC(O)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000366287	0	33	-2.0	-108.72	304.02	2.25	-106.47
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000366329	0	38	-2.0	-101.92	357.40	3.82	-98.10
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(O)=C1	REAL300000366330	0	38	-2.0	-91.45	352.85	3.80	-87.65
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000366331	0	38	-2.0	-102.31	352.86	3.79	-98.52
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(O)=C1	REAL300000366332	0	42	-2.0	-107.23	381.01	3.59	-103.64
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(O)=C1	REAL300000366333	0	42	-2.0	-91.06	384.32	5.08	-85.98
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000366334	0	41	-2.0	-103.23	368.88	4.32	-98.91
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(O)=C1	REAL300000366335	0	38	-2.0	-99.23	365.94	4.35	-94.88
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(O)=C1	REAL300000366336	0	38	-2.0	-100.08	365.37	4.18	-95.90
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(O)=C1	REAL300000366337	0	44	-2.0	-106.58	385.97	5.12	-101.46
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(O)=C1	REAL300000366338	0	38	-2.0	-100.51	358.33	3.85	-96.66
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(O)=C1	REAL300000366339	0	44	-2.0	-90.34	396.44	5.38	-84.96
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(O)=C1	REAL300000366340	0	35	-2.0	-98.36	346.05	2.80	-95.56
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(O)=C1	REAL300000366341	0	41	-2.0	-104.91	368.30	4.57	-100.34
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(O)=C1	REAL300000366342	0	42	-2.0	-89.89	383.93	4.07	-85.82
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000366343	0	39	-2.0	-102.31	359.51	3.14	-99.17
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(O)=C1	REAL300000366344	0	42	-2.0	-105.62	376.65	2.63	-102.99
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(O)=C1	REAL300000366345	0	38	-2.0	-93.71	361.97	3.47	-90.24
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(O)=C1	REAL300000366346	0	44	-2.0	-107.39	388.31	5.21	-102.18
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(O)=C1	REAL300000366347	0	35	-2.0	-98.46	344.52	2.83	-95.63
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(O)=C1	REAL300000366348	0	42	-2.0	-110.01	380.15	3.86	-106.15
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C(O)=C1	REAL300000366349	0	44	-2.0	-103.35	382.99	5.52	-97.83
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(O)=C1	REAL300000366350	0	38	-2.0	-96.68	355.87	2.93	-93.75
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(O)=C1	REAL300000366351	0	42	-2.0	-103.54	381.78	2.89	-100.65
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(O)=C1	REAL300000366352	0	41	-2.0	-95.71	373.58	4.60	-91.11
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(O)=C1	REAL300000366353	0	38	-2.0	-101.28	362.56	3.67	-97.61
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(O)=C1	REAL300000366354	0	38	-2.0	-89.23	365.92	4.35	-84.88
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(O)=C1	REAL300000366355	0	38	-2.0	-91.06	357.40	3.83	-87.23
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(O)=C1	REAL300000366356	0	35	-2.0	-92.72	345.13	2.92	-89.80
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000366357	0	38	-2.0	-93.67	359.28	3.85	-89.82
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(O)=C1	REAL300000366358	0	41	-2.0	-101.79	378.61	4.49	-97.30
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(O)=C1	REAL300000366359	0	38	-2.0	-90.94	358.33	3.86	-87.08
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(O)=C1	REAL300000366360	0	38	-2.0	-89.06	365.37	4.19	-84.87
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(O)=C1	REAL300000366361	0	39	-2.0	-103.57	362.58	1.49	-102.08
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(O)=C1	REAL300000366362	0	41	-2.0	-94.41	375.04	4.57	-89.84
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(O)=C1	REAL300000366363	0	41	-2.0	-98.91	362.90	4.42	-94.49
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000366364	0	41	-2.0	-101.39	377.70	4.44	-96.95
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(O)=C1	REAL300000366365	0	41	-2.0	-92.03	368.28	4.56	-87.47
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000366366	0	44	-2.0	-105.00	385.74	4.86	-100.14
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(O)=C1	REAL300000366367	0	44	-2.0	-103.38	386.40	5.19	-98.19
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(O)=C1	REAL300000366368	0	41	-2.0	-102.68	378.18	4.48	-98.20
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(O)=C1	REAL300000366369	0	41	-2.0	-106.93	377.91	4.48	-102.45
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C(O)=C1	REAL300000366370	0	44	-2.0	-103.86	386.83	4.97	-98.89
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(O)=C1	REAL300000366371	0	42	-2.0	-103.57	380.88	4.01	-99.56
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(O)=C1	REAL300000366372	0	41	-2.0	-93.16	372.93	4.43	-88.73
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(O)=C1	REAL300000366373	0	41	-2.0	-100.69	372.81	4.60	-96.09
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(O)=C1	REAL300000366374	0	38	-2.0	-106.32	356.52	3.82	-102.50
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000366375	0	41	-2.0	-95.67	374.03	4.36	-91.31
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(O)=C1	REAL300000366376	0	37	-2.0	-100.18	349.08	1.92	-98.26
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(O)=C1	REAL300000366377	0	42	-2.0	-95.30	381.07	3.58	-91.72
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(O)=C1	REAL300000366378	0	35	-2.0	-91.16	352.97	2.76	-88.40
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C(O)=C1	REAL300000366379	0	41	-2.0	-98.04	374.98	3.78	-94.26
CC(C)(C)S(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000366381	1	45	-2.0	-112.67	397.60	6.25	-106.42
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CS(=O)C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000366382	1	46	-2.0	-110.98	404.25	5.60	-105.38
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CS(=O)C(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000366383	0	45	-2.0	-107.44	400.61	5.39	-102.05
CC(C)(C)S(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000366384	0	44	-2.0	-110.26	393.82	4.38	-105.88
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=CC(F)=CC=C32)=CC(C(=O)[O-])=C1	REAL300000366412	0	36	-2.0	-107.76	328.93	6.23	-101.53
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCOC3=CC(F)=CC=C32)=C1	REAL300000366435	0	34	-2.0	-102.50	310.52	4.44	-98.06
CCOC(=O)C1=CC=CC=C1N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000366485	0	44	-2.0	-114.61	375.70	7.68	-106.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(=O)N3CCOCC3)C=C2)C=C1	REAL300000366494	0	43	-2.0	-120.77	381.90	3.87	-116.90
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CC(=O)N3CCOCC3)C=C2)=C1	REAL300000366495	0	43	-2.0	-133.17	381.90	3.85	-129.32
CN1C=C(S(=O)(=O)[N-]C2=NN(CC(=O)N3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000366496	0	44	-2.0	-131.53	388.54	3.21	-128.32
CC1=C(S(=O)(=O)[N-]C2=NN(CC(=O)N3CCOCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000366497	0	43	-2.0	-126.66	384.90	3.00	-123.66
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(CC(=O)N3CCOCC3)C=C2)=C1	REAL300000366498	0	42	-2.0	-131.60	378.12	1.97	-129.63
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)C=C1	REAL300000366499	1	43	-2.0	-90.98	384.89	0.70	-90.28
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)C=C1	REAL300000366501	0	44	-2.0	-108.16	388.05	3.20	-104.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)C=C1	REAL300000366504	0	40	-2.0	-114.95	356.57	1.90	-113.05
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C1	REAL300000366508	0	36	-2.0	-108.10	333.91	2.18	-105.92
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C1	REAL300000366510	0	33	-2.0	-104.92	321.61	1.13	-103.79
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)C=C1C(=O)[O-]	REAL300000366513	1	37	-2.0	-107.79	335.08	1.47	-106.32
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C1	REAL300000366515	0	36	-2.0	-100.80	337.56	1.80	-99.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=CS1	REAL300000366517	1	33	-2.0	-106.05	320.08	1.15	-104.90
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)C=C1	REAL300000366523	0	43	-2.0	-115.42	378.86	2.67	-112.75
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(OCCO)C=C2)=C1	REAL300000366524	0	39	-2.0	-114.39	359.53	2.63	-111.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)C=C(C(=O)[O-])O1	REAL300000366526	0	36	-2.0	-103.39	331.46	1.25	-102.14
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C1	REAL300000366528	0	40	-2.0	-111.39	357.39	1.21	-110.18
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)C=C1	REAL300000366531	1	39	-2.0	-100.97	349.14	2.93	-98.04
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)C=C(C(=O)[O-])S1	REAL300000366534	1	36	-2.0	-106.86	337.06	2.00	-104.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)C(Cl)=C1	REAL300000366535	1	36	-2.0	-95.60	341.48	2.68	-92.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)S1	REAL300000366537	0	33	-2.0	-98.81	320.69	1.24	-97.57
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C1	REAL300000366538	1	36	-2.0	-101.52	334.83	2.18	-99.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C1F	REAL300000366539	0	39	-2.0	-109.50	354.19	2.82	-106.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)C(F)=C1	REAL300000366540	0	36	-2.0	-97.29	333.89	2.19	-95.10
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)C=C1	REAL300000366543	1	44	-2.0	-93.70	392.18	3.53	-90.17
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C1	REAL300000366544	1	38	-2.0	-95.62	356.62	2.79	-92.83
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C1	REAL300000366545	0	37	-2.0	-109.40	338.14	-0.18	-109.58
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OCCO)C=C2)=C1	REAL300000366545	1	37	-2.0	-110.32	337.33	0.62	-109.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=CC=C1[N+](=O)[O-]	REAL300000366552	1	38	-2.0	-108.11	355.00	3.19	-104.92
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C1	REAL300000366553	0	36	-2.0	-99.56	340.19	2.24	-97.32
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)C=C1C(=O)[O-]	REAL300000366555	0	39	-2.0	-109.27	349.91	2.72	-106.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C1Cl	REAL300000366556	0	39	-2.0	-108.36	360.19	3.25	-105.11
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C1	REAL300000366557	0	39	-2.0	-114.81	353.44	2.81	-112.00
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)C=C1C(=O)[O-]	REAL300000366562	1	40	-2.0	-109.06	356.45	2.34	-106.72
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)C([N+](=O)[O-])=C1	REAL300000366566	0	41	-2.0	-102.22	369.15	4.28	-97.94
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C1[N+](=O)[O-]	REAL300000366568	0	38	-2.0	-117.00	352.17	3.98	-113.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C1F	REAL300000366569	0	36	-2.0	-113.87	332.09	2.15	-111.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=CC2=CC=CC=C21	REAL300000366571	1	42	-2.0	-119.10	369.46	4.24	-114.86
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C1	REAL300000366572	0	35	-2.0	-108.03	324.64	0.23	-107.80
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCCO)C=C1	REAL300000366573	0	40	-2.0	-101.37	356.63	1.91	-99.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)=C(Cl)O1	REAL300000366574	0	33	-2.0	-97.30	328.58	1.09	-96.21
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCCO)C=C2)C=C(C(=O)[O-])O1	REAL300000366577	0	39	-2.0	-103.34	350.55	2.11	-101.23
CCCN(C1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000366601	0	40	-2.0	-106.49	378.10	9.21	-97.28
CCCN(C1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000366618	0	38	-2.0	-103.58	352.44	7.21	-96.37
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000366643	1	39	-2.0	-104.66	363.22	3.46	-101.20
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000366645	1	39	-2.0	-107.13	358.71	3.43	-103.70
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000366646	0	43	-2.0	-112.70	386.83	3.24	-109.46
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000366647	1	43	-2.0	-94.33	390.14	4.73	-89.60
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000366649	0	39	-2.0	-102.85	371.76	4.01	-98.84
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000366650	1	39	-2.0	-102.99	371.20	3.82	-99.17
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000366651	1	45	-2.0	-110.17	391.09	4.75	-105.42
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000366652	0	39	-2.0	-104.36	364.17	3.50	-100.86
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000366653	1	45	-2.0	-93.59	402.26	5.02	-88.57
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000366654	0	36	-2.0	-101.50	351.87	2.45	-99.05
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000366655	1	42	-2.0	-108.23	374.12	4.22	-104.01
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000366657	1	40	-2.0	-105.60	365.34	2.80	-102.80
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000366659	0	39	-2.0	-97.55	367.80	3.11	-94.44
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000366661	0	36	-2.0	-102.90	350.35	2.47	-100.43
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CNC(=O)OC)C=C1	REAL300000366663	1	45	-2.0	-106.67	388.83	5.16	-101.51
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000366664	0	39	-2.0	-101.43	361.73	2.58	-98.85
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000366665	0	43	-2.0	-107.82	387.66	2.53	-105.29
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000366666	1	42	-2.0	-98.84	379.41	4.26	-94.58
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000366667	1	39	-2.0	-104.80	367.29	3.33	-101.47
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000366668	0	39	-2.0	-92.22	371.74	4.00	-88.22
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000366669	1	39	-2.0	-94.27	363.23	3.48	-90.79
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000366670	0	36	-2.0	-96.36	350.95	2.56	-93.80
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000366671	1	39	-2.0	-98.03	365.10	3.51	-94.52
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000366672	0	42	-2.0	-105.81	384.45	4.14	-101.67
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000366673	0	39	-2.0	-93.97	364.15	3.51	-90.46
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000366674	1	39	-2.0	-92.30	371.19	3.84	-88.46
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000366675	0	40	-2.0	-107.28	368.40	1.15	-106.13
COC(=O)NCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000366675	1	40	-2.0	-106.89	367.59	1.94	-104.95
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000366676	1	42	-2.0	-98.23	380.86	4.21	-94.02
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000366677	1	42	-2.0	-103.95	372.51	4.18	-99.77
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000366678	1	42	-2.0	-105.70	383.53	4.09	-101.61
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000366682	0	42	-2.0	-105.49	380.17	4.04	-101.45
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000366683	0	42	-2.0	-111.39	383.71	4.13	-107.26
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CNC(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000366685	1	43	-2.0	-106.84	386.71	3.66	-103.18
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000366688	0	39	-2.0	-110.61	362.35	3.47	-107.14
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000366689	1	42	-2.0	-99.48	383.65	4.11	-95.37
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000366690	0	38	-2.0	-104.72	354.90	1.55	-103.17
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000366691	0	43	-2.0	-98.88	386.90	3.23	-95.65
COC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000366692	0	36	-2.0	-95.16	358.84	2.42	-92.74
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CNC(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000366693	0	42	-2.0	-101.36	380.81	3.43	-97.93
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)=C1	REAL300000366698	0	45	-2.0	-104.70	382.09	7.82	-96.88
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)=C1	REAL300000366699	0	42	-2.0	-101.48	369.79	6.77	-94.71
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000366701	1	46	-2.0	-105.65	383.25	7.11	-98.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)=C1	REAL300000366702	0	45	-2.0	-97.44	385.70	7.43	-90.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)=CS1	REAL300000366703	1	42	-2.0	-102.75	368.25	6.79	-95.96
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000366704	0	45	-2.0	-101.25	379.61	6.89	-94.36
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)C=C(C(=O)[O-])S1	REAL300000366705	1	45	-2.0	-104.83	385.20	7.65	-97.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)S1	REAL300000366707	0	42	-2.0	-96.44	368.87	6.89	-89.55
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)=C1	REAL300000366708	1	45	-2.0	-98.01	383.01	7.83	-90.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)C(F)=C1	REAL300000366709	0	45	-2.0	-93.90	382.06	7.83	-86.07
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)=C1	REAL300000366710	0	46	-2.0	-107.47	386.32	5.47	-102.00
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3CCCCC3)C=C2)=C1	REAL300000366710	1	46	-2.0	-105.20	385.57	6.25	-98.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000366714	1	49	-2.0	-106.93	404.62	7.98	-98.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)=C1F	REAL300000366716	0	45	-2.0	-110.95	380.25	7.78	-103.17
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)=C1	REAL300000366717	0	44	-2.0	-104.77	372.82	5.87	-98.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)=C(Cl)O1	REAL300000366718	0	42	-2.0	-94.98	376.75	6.73	-88.25
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000366719	0	48	-2.0	-101.26	398.72	7.75	-93.51
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC=C2C)C(C(=O)[O-])=C1	REAL300000366720	1	43	-2.0	-129.40	376.26	8.08	-121.32
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000366721	1	40	-2.0	-132.22	360.83	7.31	-124.91
CCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C(C(=O)[O-])=C1	REAL300000366724	0	34	-2.0	-136.72	314.55	6.92	-129.80
CCC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366725	0	37	-2.0	-96.21	337.87	6.31	-89.90
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C(C(=O)[O-])=C1	REAL300000366726	0	33	-2.0	-117.75	317.90	5.28	-112.47
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000366727	1	35	-2.0	-123.73	326.87	7.05	-116.68
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C(C(=O)[O-])=C1	REAL300000366728	1	35	-2.0	-119.14	326.86	7.05	-112.09
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C(C(=O)[O-])=C1	REAL300000366729	0	34	-2.0	-125.53	328.27	7.24	-118.29
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000366730	0	35	-2.0	-136.10	324.11	6.94	-129.16
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(C)=C2)C(C(=O)[O-])=C1	REAL300000366731	1	37	-2.0	-123.12	345.54	7.84	-115.28
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C(C(=O)[O-])=C1	REAL300000366732	0	34	-2.0	-127.15	322.53	7.35	-119.80
CCC1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366735	0	37	-2.0	-100.71	337.36	7.18	-93.53
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000366737	0	38	-2.0	-124.03	355.35	8.74	-115.29
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C(C(=O)[O-])=C1	REAL300000366738	1	43	-2.0	-129.60	368.87	6.59	-123.01
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366739	1	39	-2.0	-126.52	350.25	7.85	-118.67
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C(C(=O)[O-])=C1	REAL300000366740	0	31	-2.0	-120.34	319.65	6.37	-113.97
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000366743	1	37	-2.0	-119.51	344.80	7.66	-111.85
CCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000366745	0	37	-2.0	-102.88	332.59	7.15	-95.73
CCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000366746	0	42	-2.0	-136.80	363.78	5.73	-131.07
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000366747	1	42	-2.0	-127.48	364.77	5.86	-121.62
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)ON=C2C)C(C(=O)[O-])=C1	REAL300000366749	0	36	-2.0	-118.21	319.12	5.61	-112.60
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000366750	1	34	-2.0	-118.46	337.96	7.63	-110.83
CCC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366751	0	37	-2.0	-119.35	332.67	7.15	-112.20
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366751	1	36	-3.0	-206.33	334.51	7.21	-199.12
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000366752	1	34	-2.0	-117.10	318.74	6.77	-110.33
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000366753	0	34	-2.0	-122.73	335.91	7.74	-114.99
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000366754	1	37	-2.0	-124.12	345.12	7.66	-116.46
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2)C(C(=O)[O-])=C1	REAL300000366755	1	37	-2.0	-130.34	327.47	7.31	-123.03
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000366757	0	37	-2.0	-130.15	330.49	8.01	-122.14
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000366758	1	34	-2.0	-124.86	322.77	7.17	-117.69
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000366759	1	39	-2.0	-127.01	347.28	7.07	-119.94
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2C)C(C(=O)[O-])=C1	REAL300000366760	1	40	-2.0	-129.23	342.94	8.09	-121.14
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000366762	1	34	-2.0	-117.50	328.63	7.22	-110.28
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)C(C(=O)[O-])=C1	REAL300000366763	1	39	-2.0	-139.68	348.82	7.13	-132.55
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])C=C1	REAL300000366765	1	43	-2.0	-122.49	382.68	8.24	-114.25
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C(C(=O)[O-])=C1	REAL300000366766	0	34	-2.0	-125.76	334.36	7.67	-118.09
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366767	1	40	-2.0	-124.86	361.56	7.40	-117.46
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C(=O)[O-])=C1	REAL300000366771	0	40	-3.0	-207.91	362.65	7.01	-200.90
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C(=O)[O-])=C1	REAL300000366771	1	41	-2.0	-120.55	359.91	6.94	-113.61
CCC1=CC=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000366772	0	41	-2.0	-103.58	364.05	8.44	-95.14
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000366772	1	40	-3.0	-187.21	365.96	8.51	-178.70
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000366773	0	31	-2.0	-120.05	315.02	6.27	-113.78
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC)C(C(=O)[O-])=C1	REAL300000366775	0	38	-2.0	-135.75	334.30	6.44	-129.31
CCC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366776	0	40	-2.0	-100.89	348.55	7.68	-93.21
CCC1=CC=C([N-]S(=O)(=O)C2=CC(NC(C)=O)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000366777	0	45	-2.0	-137.52	390.65	5.32	-132.20
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000366778	0	34	-2.0	-123.64	324.11	6.84	-116.80
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000366779	1	34	-2.0	-119.11	339.50	7.68	-111.43
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000366780	0	34	-2.0	-128.74	319.17	7.22	-121.52
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C(C(=O)[O-])=C1	REAL300000366781	1	34	-2.0	-124.79	327.34	7.28	-117.51
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366782	1	36	-2.0	-124.75	334.26	7.33	-117.42
CCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000366783	1	39	-2.0	-121.19	349.75	8.10	-113.09
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366784	1	36	-2.0	-117.95	346.71	7.70	-110.25
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C(C(=O)[O-])=C1	REAL300000366785	0	31	-2.0	-126.47	297.97	5.66	-120.81
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000366787	0	36	-2.0	-141.31	327.13	8.07	-133.24
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000366788	0	36	-3.0	-196.57	347.58	7.77	-188.80
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000366788	1	37	-2.0	-98.97	344.78	7.34	-91.63
CCC1=CC=C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366789	0	37	-2.0	-98.27	345.34	7.54	-90.73
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366789	1	36	-3.0	-201.35	347.01	7.61	-193.74
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000366792	0	34	-2.0	-124.56	317.95	6.78	-117.78
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000366793	1	34	-2.0	-125.00	312.45	6.72	-118.28
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000366794	1	34	-2.0	-118.21	318.86	6.79	-111.42
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C(C(=O)[O-])=C1	REAL300000366796	1	40	-2.0	-129.68	350.53	5.81	-123.87
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)C(C(=O)[O-])=C1	REAL300000366798	1	49	-2.0	-130.86	397.73	9.75	-121.11
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C(C(=O)[O-])=C1	REAL300000366799	1	34	-2.0	-121.41	322.78	7.17	-114.24
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C(C(=O)[O-])=C1	REAL300000366800	1	34	-2.0	-121.52	327.35	7.28	-114.24
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000366801	0	36	-2.0	-114.94	334.27	7.33	-107.61
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000366802	1	34	-2.0	-129.16	306.04	6.65	-122.51
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000366803	1	41	-2.0	-133.70	362.14	5.54	-128.16
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)S2)C(C(=O)[O-])=C1	REAL300000366804	0	34	-2.0	-128.15	319.87	6.45	-121.70
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000366805	0	43	-2.0	-99.61	364.31	8.49	-91.12
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000366805	1	42	-3.0	-203.70	367.61	8.55	-195.15
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2OC)C(C(=O)[O-])=C1	REAL300000366806	0	38	-2.0	-127.89	351.03	6.96	-120.93
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC=C2C)C(C(=O)[O-])=C1	REAL300000366807	1	37	-2.0	-123.18	342.82	8.05	-115.13
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000366808	0	36	-2.0	-131.00	343.84	8.59	-122.41
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(=O)[O-])=C1	REAL300000366809	0	36	-3.0	-200.30	339.97	7.28	-193.02
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000366810	0	31	-2.0	-117.38	328.89	6.81	-110.57
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000366812	1	39	-2.0	-124.63	344.29	7.93	-116.70
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000366813	0	34	-2.0	-127.34	317.94	6.78	-120.56
CCC1=CC=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000366814	0	43	-2.0	-99.92	376.23	8.74	-91.18
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000366814	1	42	-3.0	-186.21	378.08	8.80	-177.41
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])C=C1	REAL300000366815	1	44	-2.0	-133.47	382.72	6.36	-127.11
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C(C(=O)[O-])=C1	REAL300000366816	1	38	-2.0	-122.38	341.78	3.47	-118.91
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(SC)C=C2)C(C(=O)[O-])=C1	REAL300000366817	1	38	-2.0	-126.73	346.24	7.68	-119.05
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C(C(=O)[O-])=C1	REAL300000366818	1	39	-2.0	-124.05	348.06	5.11	-118.94
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C(C(=O)[O-])=C1	REAL300000366819	1	42	-2.0	-125.21	365.87	5.84	-119.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])C=C1OCC	REAL300000366820	1	48	-2.0	-127.97	408.48	7.70	-120.27
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(=O)[O-])=C1	REAL300000366822	0	33	-3.0	-198.63	327.70	6.24	-192.39
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C(C(=O)[O-])=C1	REAL300000366823	1	37	-2.0	-121.82	337.79	4.16	-117.66
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000366825	0	40	-2.0	-98.03	346.22	7.90	-90.13
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000366825	1	39	-3.0	-201.23	349.94	8.00	-193.23
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)C(C(=O)[O-])=C1	REAL300000366826	0	40	-2.0	-127.24	342.74	5.69	-121.55
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)NC)=C2)C(C(=O)[O-])=C1	REAL300000366827	1	42	-2.0	-134.96	382.65	2.82	-132.14
CCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000366828	1	42	-2.0	-121.54	367.47	8.65	-112.89
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C=C2)C(C(=O)[O-])=C1	REAL300000366829	1	40	-2.0	-122.84	360.82	7.32	-115.52
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC)C=C2)C(C(=O)[O-])=C1	REAL300000366830	1	41	-2.0	-127.25	362.49	4.93	-122.32
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000366831	1	39	-2.0	-129.79	360.28	1.61	-128.18
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)C(C(=O)[O-])=C1	REAL300000366832	1	45	-2.0	-136.90	383.84	7.77	-129.13
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C(C(=O)[O-])=C1	REAL300000366833	1	38	-2.0	-126.92	340.56	3.43	-123.49
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CCN3C(C)=O)C(C(=O)[O-])=C1	REAL300000366834	1	45	-2.0	-138.66	386.63	7.77	-130.89
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000366836	1	40	-2.0	-133.50	352.00	8.94	-124.56
CCC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)OC)SC=C2)C(C(=O)[O-])=C1	REAL300000366837	0	37	-2.0	-138.09	345.62	6.96	-131.13
CCC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000366839	0	41	-2.0	-101.19	363.71	7.43	-93.76
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000366841	1	45	-2.0	-132.06	390.28	10.77	-121.29
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C(C(=O)[O-])=C1	REAL300000366844	0	34	-2.0	-134.19	311.54	6.72	-127.47
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)C(C(=O)[O-])=C1	REAL300000366845	0	39	-2.0	-122.85	361.17	5.66	-117.19
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C(C(=O)[O-])=C1	REAL300000366846	1	39	-2.0	-123.80	348.42	7.16	-116.64
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)C(C(=O)[O-])=C1	REAL300000366847	0	42	-2.0	-147.33	367.39	7.93	-139.40
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)C(C(=O)[O-])=C1	REAL300000366849	0	37	-2.0	-128.99	340.59	7.88	-121.11
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000366850	0	38	-2.0	-131.15	350.80	6.93	-124.22
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C(C(=O)[O-])=C1	REAL300000366852	1	39	-2.0	-133.74	360.28	1.61	-132.13
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)C(C(=O)[O-])=C1	REAL300000366853	1	42	-2.0	-124.59	368.88	7.08	-117.51
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000366854	0	40	-2.0	-136.86	356.58	7.38	-129.48
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)C(C(=O)[O-])=C1	REAL300000366855	1	40	-2.0	-121.33	362.59	3.65	-117.68
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000366856	1	41	-2.0	-121.33	371.88	5.91	-115.42
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C(C(=O)[O-])=C1	REAL300000366857	1	39	-2.0	-120.46	353.74	8.16	-112.30
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)C(C(=O)[O-])=C1	REAL300000366858	1	40	-2.0	-123.68	360.18	6.61	-117.07
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000366859	1	38	-2.0	-122.42	352.03	6.45	-115.97
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000366860	1	40	-2.0	-135.23	366.74	4.18	-131.05
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)NC)C=C2)C(C(=O)[O-])=C1	REAL300000366862	1	42	-2.0	-129.47	382.66	2.83	-126.64
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C(C(=O)[O-])=C1	REAL300000366863	0	34	-2.0	-119.68	325.57	7.29	-112.39
CCC1=CC=C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C(C(=O)[O-])=C1	REAL300000366864	0	46	-2.0	-135.29	391.97	5.99	-129.30
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2F)C(C(=O)[O-])=C1	REAL300000366865	0	41	-2.0	-143.84	367.61	5.61	-138.23
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C(C(=O)[O-])=C1	REAL300000366866	1	40	-2.0	-139.31	366.74	4.18	-135.13
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)C(C(=O)[O-])=C1	REAL300000366867	1	43	-2.0	-131.11	380.24	9.35	-121.76
CCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C=C2F)C(C(=O)[O-])=C1	REAL300000366869	0	42	-2.0	-129.61	370.25	5.92	-123.69
CCC1=CC=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366871	0	38	-2.0	-116.85	341.00	6.55	-110.30
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366871	1	37	-3.0	-204.05	341.15	6.57	-197.48
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C(C(=O)[O-])=C1	REAL300000366872	0	34	-2.0	-135.46	323.52	6.22	-129.24
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2Br)C(C(=O)[O-])=C1	REAL300000366873	1	37	-2.0	-127.32	343.94	8.02	-119.30
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000366874	0	39	-2.0	-125.35	347.99	2.82	-122.53
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C(=O)[O-])=C1	REAL300000366875	0	41	-2.0	-99.43	354.98	5.95	-93.48
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000366876	0	40	-2.0	-128.33	373.91	7.87	-120.46
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2)C(C(=O)[O-])=C1	REAL300000366879	1	38	-2.0	-124.23	341.75	6.03	-118.20
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000366882	1	41	-2.0	-122.39	356.63	4.11	-118.28
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2)C(C(=O)[O-])=C1	REAL300000366884	0	34	-2.0	-124.56	310.59	4.37	-120.19
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000366885	1	39	-2.0	-114.04	349.75	8.10	-105.94
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)NC)=C2)C(C(=O)[O-])=C1	REAL300000366887	0	42	-2.0	-126.28	369.92	4.31	-121.97
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)C(C(=O)[O-])=C1	REAL300000366888	1	37	-2.0	-123.22	338.25	7.95	-115.27
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=C(C)C=C3)N=C2)C(C(=O)[O-])=C1	REAL300000366890	0	44	-2.0	-127.17	388.01	8.45	-118.72
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C(C(=O)[O-])=C1	REAL300000366892	1	45	-2.0	-126.82	381.51	6.79	-120.03
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)C(C(=O)[O-])=C1	REAL300000366894	1	42	-2.0	-127.30	369.58	6.50	-120.80
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C(=O)[O-])=C1	REAL300000366895	0	36	-3.0	-194.09	343.62	6.90	-187.19
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000366896	1	35	-2.0	-115.59	342.26	7.46	-108.13
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C(C(=O)[O-])=C1	REAL300000366897	1	35	-2.0	-116.26	342.28	7.46	-108.80
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300000366898	0	43	-2.0	-97.86	362.06	8.45	-89.41
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000366899	1	38	-2.0	-132.79	344.40	7.02	-125.77
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C3=NC=CC=C23)C(C(=O)[O-])=C1	REAL300000366900	1	43	-2.0	-131.22	371.35	6.43	-124.79
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000366901	1	37	-2.0	-125.99	341.51	7.77	-118.22
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000366902	0	34	-2.0	-130.92	327.70	7.22	-123.70
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2OC)C(C(=O)[O-])=C1	REAL300000366904	0	40	-2.0	-121.13	362.51	7.11	-114.02
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000366905	1	44	-2.0	-135.78	375.40	8.32	-127.46
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)C(C(=O)[O-])=C1	REAL300000366906	1	37	-2.0	-125.87	332.76	7.36	-118.51
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)C(C(=O)[O-])=C1	REAL300000366907	1	37	-2.0	-120.52	338.26	7.93	-112.59
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C(C(=O)[O-])=C1	REAL300000366908	0	37	-2.0	-134.82	332.94	7.38	-127.44
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)C(C(=O)[O-])=C1	REAL300000366909	1	37	-2.0	-123.06	327.93	7.49	-115.57
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000366911	0	39	-2.0	-142.93	339.67	8.91	-134.02
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C(C(=O)[O-])=C1	REAL300000366912	0	42	-2.0	-129.89	371.34	5.90	-123.99
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C(C(=O)[O-])=C1	REAL300000366913	1	44	-2.0	-143.80	375.33	6.34	-137.46
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000366915	0	42	-2.0	-147.39	367.31	7.94	-139.45
CCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366918	0	33	-3.0	-200.39	326.16	6.26	-194.13
CCC1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366918	1	34	-2.0	-100.14	325.65	6.23	-93.91
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CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C(=O)[O-])=C1	REAL300000366941	0	44	-2.0	-105.22	375.84	8.68	-96.54
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C(=O)[O-])=C1	REAL300000366941	1	43	-3.0	-208.01	378.75	9.11	-198.90
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CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C(C(=O)[O-])=C1	REAL300000366943	1	38	-2.0	-119.03	343.85	7.02	-112.01
CCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000366944	0	34	-2.0	-125.31	320.96	7.01	-118.30
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCNC(C)=O)S2)C(C(=O)[O-])=C1	REAL300000366945	0	44	-2.0	-134.48	402.13	5.59	-128.89
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)NC(C)=O)S2)C(C(=O)[O-])=C1	REAL300000366946	0	44	-2.0	-125.29	399.55	5.63	-119.66
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366947	0	36	-3.0	-193.43	337.51	6.36	-187.07
CCC1=CC=C(NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000366947	1	37	-2.0	-98.53	335.21	5.89	-92.64
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C(C(=O)[O-])=C1	REAL300000366948	0	37	-2.0	-150.50	334.24	5.85	-144.65
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC=C2F)C(C(=O)[O-])=C1	REAL300000366949	0	40	-2.0	-132.93	366.29	7.36	-125.57
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CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000366951	1	37	-2.0	-116.69	350.37	7.71	-108.98
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CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C(C(=O)[O-])=C1	REAL300000366968	1	39	-2.0	-130.37	342.20	7.08	-123.29
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C(C(=O)[O-])=C1	REAL300000366969	0	33	-2.0	-119.13	331.19	5.79	-113.34
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CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C=N2)C(C(=O)[O-])=C1	REAL300000366971	0	34	-2.0	-136.66	310.06	5.75	-130.91
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CCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)N=C2)C(C(=O)[O-])=C1	REAL300000366986	0	37	-2.0	-124.93	332.12	5.22	-119.71
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CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(COC)=C2)C(C(=O)[O-])=C1	REAL300000366988	1	41	-2.0	-130.86	361.11	6.38	-124.48
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CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C(C(=O)[O-])=C1	REAL300000366992	1	39	-2.0	-127.91	342.01	5.95	-121.96
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=CC=C1F	REAL300000366993	1	43	-2.0	-119.89	387.25	8.26	-111.63
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000366994	0	34	-2.0	-122.39	325.58	7.28	-115.11
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=COC(C)=N3)C=C2)C(C(=O)[O-])=C1	REAL300000366995	1	43	-2.0	-132.00	382.44	5.72	-126.28
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000366998	1	38	-2.0	-120.27	350.34	3.51	-116.76
CCC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C)C(C(=O)[O-])=C1	REAL300000366999	0	34	-2.0	-122.30	306.43	3.70	-118.60
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC)=C2)C(C(=O)[O-])=C1	REAL300000367000	1	38	-2.0	-131.39	335.54	5.95	-125.44
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C)C(C(=O)[O-])=C1	REAL300000367001	1	37	-2.0	-128.13	321.53	7.43	-120.70
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)N=C(NC(C)=O)S2)C(C(=O)[O-])=C1	REAL300000367002	0	40	-2.0	-132.12	367.37	4.89	-127.23
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)N=C([N-]C(C)=O)S2)C(C(=O)[O-])=C1	REAL300000367002	1	39	-3.0	-201.41	363.40	3.78	-197.63
CCC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2)C(C(=O)[O-])=C1	REAL300000367003	0	34	-2.0	-137.13	311.06	4.18	-132.95
CCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C)C(C(=O)[O-])=C1	REAL300000367004	0	34	-2.0	-120.04	306.28	4.28	-115.76
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000367010	0	40	-2.0	-120.45	370.84	7.40	-113.05
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000367011	0	37	-2.0	-134.33	332.95	7.39	-126.94
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)O2)C(C(=O)[O-])=C1	REAL300000367013	0	37	-2.0	-122.18	345.59	5.45	-116.73
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000367014	0	39	-2.0	-146.76	345.98	7.28	-139.48
CCC1=CC=C([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C(C(=O)[O-])=C1	REAL300000367015	0	40	-2.0	-135.17	372.47	7.33	-127.84
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000367016	0	34	-2.0	-118.17	324.25	6.84	-111.33
CCC1=CC=C(NS(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367017	0	37	-2.0	-100.91	340.85	6.65	-94.26
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367017	1	36	-3.0	-196.91	344.20	7.10	-189.81
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)OC)=C2C)C(C(=O)[O-])=C1	REAL300000367018	1	43	-2.0	-131.63	370.38	7.98	-123.65
CCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000367019	0	38	-2.0	-129.08	348.65	6.52	-122.56
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)C(C(=O)[O-])=C1	REAL300000367020	0	36	-2.0	-119.16	336.69	5.87	-113.29
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)OC)C=C2)C(C(=O)[O-])=C1	REAL300000367022	1	43	-2.0	-133.11	383.00	8.10	-125.01
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCN(C(C)=O)C3=C2)C(C(=O)[O-])=C1	REAL300000367024	1	45	-2.0	-153.38	386.55	7.77	-145.61
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)C(C(=O)[O-])=C1	REAL300000367025	0	46	-2.0	-128.58	385.16	7.26	-121.32
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CS2)C(C(=O)[O-])=C1	REAL300000367026	0	34	-2.0	-128.03	314.27	6.48	-121.55
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000367027	1	40	-2.0	-125.17	377.57	7.82	-117.35
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(CC)N=C2C)C(C(=O)[O-])=C1	REAL300000367028	0	43	-2.0	-127.52	364.55	6.55	-120.97
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C(C)=C2)C(C(=O)[O-])=C1	REAL300000367029	1	43	-2.0	-123.68	376.84	7.85	-115.83
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000367030	0	39	-2.0	-116.14	350.27	7.83	-108.31
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000367033	1	42	-2.0	-141.06	365.63	5.11	-135.95
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000367034	1	43	-2.0	-141.60	391.08	4.86	-136.74
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)C(C(=O)[O-])=C1	REAL300000367035	1	38	-2.0	-121.53	342.33	7.82	-113.71
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(NC(C)=O)=C2)C(C(=O)[O-])=C1	REAL300000367036	1	41	-2.0	-138.76	367.21	5.67	-133.09
CCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000367037	0	39	-2.0	-124.53	358.42	8.02	-116.51
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(NC(C)=O)=C2)C(C(=O)[O-])=C1	REAL300000367039	1	44	-2.0	-151.16	380.93	6.45	-144.71
CCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2OC)C(C(=O)[O-])=C1	REAL300000367040	0	38	-2.0	-130.19	343.69	7.12	-123.07
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)C(C(=O)[O-])=C1	REAL300000367041	1	38	-2.0	-118.27	342.29	7.81	-110.46
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C(C(=O)[O-])=C1	REAL300000367043	1	43	-2.0	-135.18	374.73	6.73	-128.45
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000367044	1	44	-2.0	-126.33	388.12	7.36	-118.97
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000367045	0	35	-2.0	-123.30	332.34	7.11	-116.19
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)C(C(=O)[O-])=C1	REAL300000367046	1	39	-2.0	-126.83	349.69	4.31	-122.52
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000367047	0	40	-2.0	-125.68	350.80	5.74	-119.94
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C(C(=O)[O-])=C1	REAL300000367048	1	39	-2.0	-130.24	347.00	7.04	-123.20
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CC(=O)OC)N=C2)C(C(=O)[O-])=C1	REAL300000367049	0	40	-2.0	-128.94	365.42	5.42	-123.52
CCC1=CC=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C(C(=O)[O-])=C1	REAL300000367050	0	40	-2.0	-139.97	350.01	5.09	-134.88
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000367051	0	37	-2.0	-129.19	347.87	8.46	-120.73
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C3=CC=CC=N3)N=C2)C(C(=O)[O-])=C1	REAL300000367053	0	43	-2.0	-131.06	378.24	8.04	-123.02
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)C(C(=O)[O-])=C1	REAL300000367055	0	38	-2.0	-124.80	362.84	7.94	-116.86
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000367056	1	34	-2.0	-111.28	325.03	6.84	-104.44
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000367057	1	45	-2.0	-125.62	388.66	8.49	-117.13
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000367059	0	41	-2.0	-131.31	367.21	6.76	-124.55
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000367061	0	36	-3.0	-187.07	347.55	7.77	-179.30
CCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000367061	1	37	-2.0	-95.02	344.74	7.33	-87.69
CCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000367062	0	37	-2.0	-101.58	337.00	7.19	-94.39
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000367062	1	36	-3.0	-188.58	339.03	7.25	-181.33
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)C(C(=O)[O-])=C1	REAL300000367063	1	42	-2.0	-137.52	372.52	6.07	-131.45
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C(C(=O)[O-])=C1	REAL300000367064	0	41	-2.0	-130.90	371.01	7.92	-122.98
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(N(C)C(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000367065	1	44	-2.0	-138.34	373.41	6.87	-131.47
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C(C(=O)[O-])=C1	REAL300000367067	0	37	-2.0	-117.72	350.86	4.72	-113.00
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(=O)[O-])=C1	REAL300000367068	0	33	-3.0	-192.16	326.77	6.34	-185.82
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000367069	0	43	-2.0	-136.85	370.59	7.91	-128.94
CCC1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367070	0	37	-2.0	-95.45	339.01	7.22	-88.23
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367070	1	36	-3.0	-195.82	340.92	7.28	-188.54
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000367071	0	39	-3.0	-202.58	360.25	7.92	-194.66
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000367072	1	48	-2.0	-125.11	398.85	8.71	-116.40
CCC1=CC=C([N-]S(=O)(=O)C2=CNC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000367073	0	38	-2.0	-127.90	349.44	4.99	-122.91
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000367074	0	36	-3.0	-191.23	339.97	7.28	-183.95
CCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000367074	1	37	-2.0	-107.38	337.54	6.83	-100.55
CCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000367075	0	37	-2.0	-99.32	344.97	7.54	-91.78
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000367075	1	36	-3.0	-187.27	347.00	7.62	-179.65
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000367076	1	37	-2.0	-124.72	326.42	7.47	-117.25
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(Br)=C2)C(C(=O)[O-])=C1	REAL300000367077	1	37	-2.0	-126.21	345.54	7.85	-118.36
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000367078	1	43	-2.0	-125.85	376.89	7.84	-118.01
CCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000367079	0	37	-2.0	-126.76	353.32	6.33	-120.43
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000367080	1	40	-2.0	-119.49	365.37	7.33	-112.16
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)N=C(C)S2)C(C(=O)[O-])=C1	REAL300000367081	0	36	-2.0	-124.81	330.31	5.25	-119.56
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C(C(=O)[O-])=C1	REAL300000367082	1	38	-2.0	-132.01	348.29	7.83	-124.18
CCC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C(NC(C)=O)=C2)C(C(=O)[O-])=C1	REAL300000367083	1	42	-2.0	-105.92	365.75	3.52	-102.40
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C(=O)[O-])=C1	REAL300000367086	0	40	-2.0	-93.97	359.90	8.32	-85.65
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C(=O)[O-])=C1	REAL300000367086	1	39	-3.0	-193.35	363.95	8.41	-184.94
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)C(C(=O)[O-])=C1	REAL300000367087	1	40	-2.0	-122.19	360.26	8.43	-113.76
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C1	REAL300000367088	1	40	-2.0	-130.76	348.93	8.09	-122.67
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C(C(=O)[O-])=C1	REAL300000367089	0	37	-2.0	-125.80	361.69	8.58	-117.22
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000367090	1	37	-2.0	-125.50	333.87	7.38	-118.12
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(C)O2)C(C(=O)[O-])=C1	REAL300000367092	0	40	-2.0	-123.85	363.94	6.11	-117.74
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C(C(=O)[O-])=C1	REAL300000367093	1	40	-2.0	-123.21	357.42	5.72	-117.49
CCC1=CC=C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367094	0	37	-2.0	-109.82	343.63	7.24	-102.58
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367094	1	36	-3.0	-192.21	345.32	7.31	-184.90
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367095	0	39	-2.0	-103.94	361.01	7.82	-96.12
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367095	1	38	-3.0	-189.29	362.70	7.88	-181.41
CCC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C(C(=O)[O-])=C1	REAL300000367096	0	37	-2.0	-130.76	359.39	8.52	-122.24
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000367097	0	44	-2.0	-136.41	388.98	7.10	-129.31
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000367098	1	46	-2.0	-130.25	393.94	8.64	-121.61
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000367100	0	37	-2.0	-125.18	338.25	7.42	-117.76
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000367101	0	40	-2.0	-137.85	357.83	9.72	-128.13
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000367102	1	40	-2.0	-138.81	347.09	8.97	-129.84
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C(C(=O)[O-])=C1	REAL300000367103	0	36	-2.0	-126.78	338.03	6.13	-120.65
CCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2Cl)C(C(=O)[O-])=C1	REAL300000367104	0	39	-2.0	-120.21	366.06	8.51	-111.70
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000367105	1	38	-2.0	-114.88	362.70	7.84	-107.04
CCC1=CC=C([N-]S(=O)(=O)C2=C(OC)C=C(C(=O)OC)S2)C(C(=O)[O-])=C1	REAL300000367106	0	41	-2.0	-125.74	383.89	5.74	-120.00
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2C)C(C(=O)[O-])=C1	REAL300000367107	1	37	-2.0	-124.20	339.20	7.96	-116.24
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(=O)[O-])=C1	REAL300000367108	0	37	-3.0	-197.36	344.22	4.92	-192.44
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000367108	1	37	-3.0	-200.26	337.97	5.77	-194.49
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C(C(=O)[O-])=C1	REAL300000367109	1	44	-2.0	-133.44	361.36	9.28	-124.16
CCC1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000367110	0	40	-2.0	-101.12	354.83	7.93	-93.19
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000367110	1	39	-3.0	-191.57	356.68	8.00	-183.57
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000367111	1	41	-2.0	-128.14	375.92	6.17	-121.97
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])O1	REAL300000367112	0	40	-2.0	-122.57	367.45	6.38	-116.19
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367113	0	36	-2.0	-116.03	340.68	7.38	-108.65
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)=O)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000367114	0	39	-2.0	-135.59	359.59	7.61	-127.98
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)C(C(=O)[O-])=C1	REAL300000367115	1	46	-2.0	-127.89	396.76	8.18	-119.71
CCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2C)C(C(=O)[O-])=C1	REAL300000367116	1	39	-2.0	-114.86	361.77	8.48	-106.38
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C(C(=O)[O-])=C1	REAL300000367117	0	37	-2.0	-137.83	348.75	7.36	-130.47
CCC1=CC=C([N-]S(=O)(=O)C2=C(OC)C=CS2)C(C(=O)[O-])=C1	REAL300000367118	0	35	-2.0	-134.54	328.21	4.93	-129.61
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)CC)=C2)C(C(=O)[O-])=C1	REAL300000367119	1	43	-2.0	-138.70	388.21	5.07	-133.63
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)C(C(=O)[O-])=C1	REAL300000367120	0	40	-2.0	-131.35	362.79	7.76	-123.59
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(C(=O)[O-])=C1	REAL300000367121	0	37	-2.0	-132.70	335.81	7.05	-125.65
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)C(C(=O)[O-])=C1	REAL300000367122	0	42	-2.0	-148.82	367.56	7.89	-140.93
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)C(C(=O)[O-])=C1	REAL300000367123	1	45	-2.0	-123.35	389.35	6.16	-117.19
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000367124	1	40	-2.0	-129.04	361.45	9.39	-119.65
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000367125	1	40	-2.0	-114.06	371.66	7.39	-106.67
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)C3=C(F)C=CC=C3S2)C(C(=O)[O-])=C1	REAL300000367126	0	40	-2.0	-133.18	363.54	8.86	-124.32
CCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000367127	0	39	-2.0	-125.10	360.06	8.03	-117.07
CCC1=CC=C([N-]S(=O)(=O)C2=CSN=C2C(=O)OC)C(C(=O)[O-])=C1	REAL300000367128	0	36	-2.0	-133.03	339.28	5.40	-127.63
CCC1=CC=C([N-]S(=O)(=O)C2=CN3N=C(C)C(Cl)=C3N=C2)C(C(=O)[O-])=C1	REAL300000367130	0	39	-2.0	-116.91	367.03	6.61	-110.30
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C(C(=O)[O-])=C1	REAL300000367131	1	36	-2.0	-120.12	354.31	6.56	-113.56
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C(C(=O)[O-])=C1	REAL300000367132	0	34	-2.0	-117.25	321.02	5.60	-111.65
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C(C(=O)[O-])=C1	REAL300000367133	0	34	-2.0	-136.28	326.39	5.48	-130.80
CCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC(OC)=C2)C(C(=O)[O-])=C1	REAL300000367134	1	42	-2.0	-132.81	365.03	5.26	-127.55
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C(C(=O)[O-])=C1	REAL300000367135	0	35	-2.0	-134.57	321.88	5.39	-129.18
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C(C(=O)[O-])=C1	REAL300000367136	0	35	-2.0	-117.00	328.26	4.49	-112.51
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C)S2)C(C(=O)[O-])=C1	REAL300000367137	0	33	-2.0	-124.16	314.57	4.48	-119.68
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000367138	1	40	-2.0	-119.95	373.35	7.70	-112.25
CCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)C(C(=O)[O-])=C1	REAL300000367139	1	39	-2.0	-113.56	353.83	8.14	-105.42
CCC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000367140	0	40	-2.0	-119.72	341.56	7.81	-111.91
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000367140	1	39	-3.0	-207.48	344.54	7.86	-199.62
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000367142	1	41	-2.0	-147.87	370.65	4.52	-143.35
CCC1=CC=C(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367143	0	40	-2.0	-101.45	357.42	7.80	-93.65
CCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000367144	0	40	-2.0	-101.19	347.14	7.95	-93.24
CCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000367145	0	35	-2.0	-123.86	335.34	7.34	-116.52
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C(C)N1	REAL300000367146	0	47	-2.0	-127.74	402.06	7.34	-120.40
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000367147	0	37	-2.0	-127.59	338.25	7.43	-120.16
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(OC)=C2)C(C(=O)[O-])=C1	REAL300000367148	0	40	-2.0	-115.83	361.57	7.40	-108.43
CCC1=CC=C(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367149	0	43	-2.0	-102.25	365.40	8.20	-94.05
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C(C(=O)[O-])=C1	REAL300000367150	1	40	-2.0	-139.23	363.79	9.47	-129.76
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367151	0	38	-3.0	-201.21	361.08	8.31	-192.90
CCC1=CC=C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367151	1	39	-2.0	-104.00	359.34	8.26	-95.74
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C(C(=O)[O-])=C1	REAL300000367152	0	37	-2.0	-125.77	351.39	8.14	-117.63
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000367154	0	36	-3.0	-191.98	346.24	7.34	-184.64
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367155	1	39	-2.0	-116.86	359.08	7.98	-108.88
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C(C(=O)[O-])=C1	REAL300000367156	0	33	-2.0	-124.09	325.00	6.10	-117.99
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000367157	0	40	-2.0	-136.55	351.48	7.04	-129.51
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)N=C2)C(C(=O)[O-])=C1	REAL300000367158	0	39	-2.0	-118.58	356.78	5.48	-113.10
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C(C(=O)[O-])=C1	REAL300000367159	0	33	-2.0	-114.73	331.49	5.83	-108.90
CCC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000367160	0	43	-2.0	-124.98	365.24	8.54	-116.44
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000367161	0	39	-3.0	-203.24	359.82	7.91	-195.33
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000367161	1	40	-2.0	-113.53	357.27	7.46	-106.07
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000367162	0	39	-3.0	-199.13	366.29	8.35	-190.78
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000367162	1	40	-2.0	-99.79	363.46	7.90	-91.89
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000367163	0	39	-3.0	-218.65	359.54	7.90	-210.75
CCC1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000367164	0	34	-2.0	-114.54	333.29	7.14	-107.40
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C1	REAL300000367165	1	42	-2.0	-139.59	369.13	7.92	-131.67
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CCOC)N=C2)C(C(=O)[O-])=C1	REAL300000367166	0	41	-2.0	-123.07	365.79	4.27	-118.80
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)N=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000367167	0	39	-2.0	-134.92	356.36	7.49	-127.43
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Br)C(C(=O)[O-])=C1	REAL300000367168	0	37	-2.0	-128.71	340.73	7.92	-120.79
CCC1=CC=C(NS(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367169	0	43	-2.0	-101.25	366.94	8.34	-92.91
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C(C(=O)[O-])=C1	REAL300000367170	0	45	-2.0	-125.40	383.20	5.19	-120.21
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)C(C(=O)[O-])=C1	REAL300000367173	0	38	-2.0	-137.96	343.33	7.44	-130.52
CCC1=CC=C(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)C(C(=O)[O-])=C1	REAL300000367174	0	40	-2.0	-93.98	351.26	7.06	-86.92
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000367175	0	43	-2.0	-129.31	379.04	8.30	-121.01
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C1	REAL300000367176	0	40	-2.0	-136.04	353.36	7.41	-128.63
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C(C(=O)[O-])=C1	REAL300000367177	0	42	-2.0	-123.36	364.08	4.40	-118.96
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000367179	0	37	-2.0	-135.97	331.85	7.37	-128.60
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])C=N1	REAL300000367180	1	40	-2.0	-121.25	355.07	4.28	-116.97
CCC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C(C(=O)[O-])=C1	REAL300000367181	0	41	-2.0	-144.11	351.99	6.69	-137.42
CCC1=CC=C(NS(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367182	0	44	-2.0	-127.81	383.32	7.28	-120.53
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(COC)C=C2)C(C(=O)[O-])=C1	REAL300000367183	1	41	-2.0	-128.22	361.12	6.39	-121.83
CCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2O)C(C(=O)[O-])=C1	REAL300000367184	0	39	-2.0	-128.03	345.31	3.64	-124.39
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000367185	0	37	-2.0	-130.25	337.90	7.79	-122.46
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C)=C2)C(C(=O)[O-])=C1	REAL300000367187	0	37	-2.0	-125.20	329.02	6.23	-118.97
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C(C(=O)[O-])=C1	REAL300000367188	0	40	-2.0	-134.54	352.29	4.32	-130.22
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C1	REAL300000367190	1	43	-2.0	-124.20	389.11	8.30	-115.90
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2COC)C(C(=O)[O-])=C1	REAL300000367191	1	41	-2.0	-127.97	352.66	6.69	-121.28
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000367192	0	43	-2.0	-117.01	379.24	6.96	-110.05
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)O2)C(C(=O)[O-])=C1	REAL300000367194	0	34	-2.0	-128.60	310.64	5.47	-123.13
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)S2)C(C(=O)[O-])=C1	REAL300000367195	0	37	-2.0	-129.67	339.69	7.07	-122.60
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C(C(=O)[O-])=C1	REAL300000367196	1	37	-2.0	-125.31	332.10	5.31	-120.00
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000367197	0	42	-2.0	-146.92	359.68	8.41	-138.51
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C(C(=O)[O-])=C1	REAL300000367198	0	40	-2.0	-132.32	355.32	8.67	-123.65
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000367199	0	36	-2.0	-112.59	338.80	7.35	-105.24
CCC1=CC=C(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000367200	0	40	-2.0	-99.16	356.96	7.93	-91.23
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000367200	1	39	-3.0	-198.33	360.77	8.40	-189.93
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000367201	1	34	-2.0	-118.66	329.19	7.24	-111.42
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000367202	0	40	-2.0	-119.61	363.91	6.21	-113.40
CCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000367203	0	33	-2.0	-118.57	317.79	5.35	-113.22
CCC1=CC=C(NS(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367204	0	40	-2.0	-99.27	363.83	8.11	-91.16
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367204	1	39	-3.0	-203.96	365.73	8.17	-195.79
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C)=N2)C(C(=O)[O-])=C1	REAL300000367205	0	40	-2.0	-139.42	351.65	6.46	-132.96
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2Br)C(C(=O)[O-])=C1	REAL300000367206	0	37	-2.0	-127.92	343.94	8.02	-119.90
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000367207	0	37	-2.0	-129.47	340.59	7.88	-121.59
CCC1=CC=C(NS(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367208	0	41	-2.0	-118.38	362.39	7.42	-110.96
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367208	1	40	-3.0	-205.85	362.53	7.43	-198.42
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CO2)C(C(=O)[O-])=C1	REAL300000367209	0	37	-2.0	-126.49	345.93	5.40	-121.09
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(CC)C=C1C(=O)[O-]	REAL300000367210	0	46	-2.0	-128.69	385.52	7.21	-121.48
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=CN1C	REAL300000367211	0	44	-2.0	-130.89	389.08	7.68	-123.21
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000367212	1	42	-2.0	-124.46	365.73	8.60	-115.86
CCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000367213	0	34	-2.0	-132.56	322.10	7.45	-125.11
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)C(C(=O)[O-])=C1	REAL300000367214	0	36	-2.0	-127.26	335.94	5.98	-121.28
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2OC)C(C(=O)[O-])=C1	REAL300000367215	0	39	-2.0	-125.30	355.09	6.84	-118.46
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(SC)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000367216	1	38	-2.0	-124.69	361.25	8.13	-116.56
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])S1	REAL300000367217	0	36	-2.0	-124.07	336.05	5.23	-118.84
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(CC)C=C3C(=O)[O-])C=C12	REAL300000367218	0	41	-2.0	-116.76	367.28	4.37	-112.39
CCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)S2)C(C(=O)[O-])=C1	REAL300000367219	0	36	-2.0	-121.87	344.17	6.98	-114.89
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000367221	0	37	-2.0	-117.00	346.89	4.61	-112.39
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3CC)C(C(=O)[O-])=C1	REAL300000367222	1	43	-2.0	-123.55	381.98	7.62	-115.93
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000367223	0	36	-2.0	-116.09	341.54	5.98	-110.11
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000367224	1	40	-2.0	-124.67	367.25	7.38	-117.29
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)C(C(=O)[O-])=C1	REAL300000367225	0	37	-2.0	-125.22	351.41	3.88	-121.34
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)C(C(=O)[O-])=C1	REAL300000367226	0	49	-2.0	-127.90	397.58	7.63	-120.27
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C(C(=O)[O-])=C1	REAL300000367228	0	35	-2.0	-118.52	339.93	7.61	-110.91
CCC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C(C(=O)[O-])=C1	REAL300000367229	0	37	-2.0	-139.28	333.98	6.97	-132.31
CCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000367230	0	39	-2.0	-124.19	356.00	5.51	-118.68
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C(C(=O)[O-])=C1	REAL300000367231	0	31	-2.0	-121.92	310.42	5.39	-116.53
CCC1=CC=C([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)OC(C)=N2)C(C(=O)[O-])=C1	REAL300000367232	0	43	-2.0	-139.43	380.46	5.75	-133.68
CCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300000367233	1	42	-2.0	-122.90	368.45	8.73	-114.17
CCC1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000367234	0	34	-2.0	-124.48	327.12	7.05	-117.43
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C1	REAL300000367238	1	46	-2.0	-128.95	398.12	9.01	-119.94
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C(C(=O)[O-])=C1	REAL300000367239	0	34	-2.0	-119.37	341.22	7.77	-111.60
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000367240	0	34	-2.0	-121.07	335.03	6.87	-114.20
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C=C2OC)C(C(=O)[O-])=C1	REAL300000367241	0	44	-2.0	-129.52	389.03	7.10	-122.42
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000367242	1	37	-2.0	-129.40	338.23	7.52	-121.88
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C(C(=O)[O-])=C1	REAL300000367243	0	37	-2.0	-123.48	350.28	7.72	-115.76
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(Br)=C2)C(C(=O)[O-])=C1	REAL300000367244	1	37	-2.0	-125.61	348.76	7.93	-117.68
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000367245	0	37	-2.0	-123.38	343.97	5.55	-117.83
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2SC)C(C(=O)[O-])=C1	REAL300000367246	1	38	-2.0	-134.23	342.12	7.72	-126.51
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C(C(=O)[O-])=C1	REAL300000367247	1	37	-2.0	-129.05	351.41	3.89	-125.16
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000367249	0	42	-2.0	-123.36	375.48	7.94	-115.42
CCC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)OC)SC=C2C)C(C(=O)[O-])=C1	REAL300000367250	0	40	-2.0	-138.73	361.26	7.83	-130.90
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000367251	1	38	-2.0	-120.52	341.76	6.03	-114.49
CCC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C(C(=O)[O-])=C1	REAL300000367252	0	33	-2.0	-134.79	318.74	7.05	-127.74
CCC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C)C(C(=O)[O-])=C1	REAL300000367253	0	33	-2.0	-115.01	300.45	3.07	-111.94
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C(C(=O)[O-])=C1	REAL300000367254	1	39	-2.0	-122.56	350.39	5.78	-116.78
CCC1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367255	0	33	-2.0	-116.96	327.21	6.43	-110.53
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(=O)OC)C=C2)C(C(=O)[O-])=C1	REAL300000367257	1	42	-2.0	-128.71	373.25	4.87	-123.84
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(OC)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367258	1	40	-2.0	-115.61	369.52	7.48	-108.13
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C(C(=O)[O-])=C1	REAL300000367259	0	38	-2.0	-131.29	334.02	6.09	-125.20
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000367260	0	35	-2.0	-121.16	339.96	7.61	-113.55
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000367261	0	37	-2.0	-122.84	350.00	5.72	-117.12
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC)C(C(=O)[O-])=C1	REAL300000367262	1	40	-2.0	-122.39	331.66	8.17	-114.22
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2C)C(C(=O)[O-])=C1	REAL300000367264	1	37	-2.0	-120.63	342.82	8.04	-112.59
CCC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C(C(=O)[O-])=C1	REAL300000367265	0	38	-2.0	-144.09	344.43	6.73	-137.36
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(CC3CC3)N=C2C)C(C(=O)[O-])=C1	REAL300000367266	0	47	-2.0	-127.54	396.23	8.11	-119.43
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)C(C(=O)[O-])=C1	REAL300000367267	0	42	-2.0	-147.23	363.93	7.83	-139.40
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000367269	1	38	-2.0	-131.51	357.30	3.95	-127.56
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000367270	0	35	-2.0	-135.81	330.81	4.96	-130.85
CCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(OC)=C2)C(C(=O)[O-])=C1	REAL300000367271	0	37	-2.0	-125.15	330.62	4.13	-121.02
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000367272	1	44	-2.0	-124.06	388.11	7.37	-116.69
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2OC)C(C(=O)[O-])=C1	REAL300000367276	0	40	-2.0	-122.13	352.55	7.77	-114.36
CCC1=CC=C(NS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367277	0	40	-2.0	-112.38	366.66	8.23	-104.15
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367277	1	39	-3.0	-199.99	364.37	8.18	-191.81
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000367278	1	44	-2.0	-129.42	375.91	6.44	-122.98
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)C(C(=O)[O-])=C1	REAL300000367279	0	40	-2.0	-134.79	367.26	8.20	-126.59
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(NC(C)=O)S2)C(C(=O)[O-])=C1	REAL300000367281	0	37	-2.0	-131.67	350.99	4.15	-127.52
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)C(C(=O)[O-])=C1	REAL300000367281	1	36	-3.0	-200.67	347.70	3.02	-197.65
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C(F)=C2)C(C(=O)[O-])=C1	REAL300000367282	1	41	-2.0	-127.53	367.21	5.68	-121.85
CCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C=C2Cl)C(C(=O)[O-])=C1	REAL300000367283	0	42	-2.0	-124.99	377.85	6.42	-118.57
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000367284	1	38	-2.0	-123.58	351.51	6.30	-117.28
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000367285	1	37	-2.0	-116.10	350.36	7.71	-108.39
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C(C(=O)[O-])=C1	REAL300000367286	0	39	-2.0	-126.07	362.84	2.27	-123.80
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C(C(=O)[O-])=C1	REAL300000367287	1	38	-2.0	-132.03	330.65	7.98	-124.05
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C(C(=O)[O-])=C1	REAL300000367288	1	38	-2.0	-131.51	348.30	7.81	-123.70
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C(C(=O)[O-])=C1	REAL300000367289	0	34	-2.0	-120.70	335.90	7.73	-112.97
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)ON=C2N)C(C(=O)[O-])=C1	REAL300000367291	0	35	-2.0	-117.82	313.58	4.02	-113.80
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000367292	0	38	-2.0	-130.49	351.03	6.97	-123.52
CCC1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000367293	0	35	-2.0	-122.25	333.54	5.42	-116.83
CCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2C)C(C(=O)[O-])=C1	REAL300000367296	1	41	-2.0	-129.63	351.00	6.73	-122.90
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C(C(=O)[O-])=C1	REAL300000367299	0	32	-2.0	-116.91	318.56	6.20	-110.71
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2)C(C(=O)[O-])=C1	REAL300000367300	0	36	-2.0	-125.74	322.64	5.48	-120.26
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C(C(=O)[O-])=C1	REAL300000367301	0	39	-2.0	-129.63	347.23	7.02	-122.61
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C=C2F)C(C(=O)[O-])=C1	REAL300000367302	0	40	-2.0	-127.81	366.29	7.38	-120.43
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C(F)=C2)C(C(=O)[O-])=C1	REAL300000367303	0	40	-2.0	-121.23	365.35	7.34	-113.89
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C1	REAL300000367304	0	42	-2.0	-135.67	382.19	8.49	-127.18
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)C(C(=O)[O-])=C1	REAL300000367305	1	38	-2.0	-119.26	346.02	7.55	-111.71
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000367306	0	33	-2.0	-112.28	323.78	5.33	-106.95
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C=C2F)C(C(=O)[O-])=C1	REAL300000367308	0	38	-2.0	-131.39	341.02	6.01	-125.38
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000367309	1	40	-2.0	-127.54	367.06	8.45	-119.09
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000367311	1	37	-2.0	-126.40	340.22	7.59	-118.81
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C(C(=O)[O-])=C1	REAL300000367312	1	44	-2.0	-135.29	380.25	10.07	-125.22
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=NN2C)C(C(=O)[O-])=C1	REAL300000367314	0	37	-2.0	-121.27	322.91	5.11	-116.16
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C1	REAL300000367315	0	43	-2.0	-132.24	388.15	8.29	-123.95
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C(C(=O)[O-])=C1	REAL300000367317	0	32	-2.0	-118.45	309.97	5.19	-113.26
CCC1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C(C(=O)[O-])=C1	REAL300000367318	0	31	-2.0	-124.17	297.14	5.56	-118.61
CCC1=CC=C([N-]S(=O)(=O)C2=CC(COC)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000367319	0	45	-2.0	-138.85	389.37	6.17	-132.68
CCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000367320	0	40	-2.0	-103.34	349.65	7.76	-95.58
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)N=C2)C(C(=O)[O-])=C1	REAL300000367321	1	37	-2.0	-121.12	333.22	3.35	-117.77
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C(C(=O)[O-])=C1	REAL300000367322	0	34	-2.0	-127.68	328.26	7.24	-120.44
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(CC)C=C1C(=O)[O-]	REAL300000367324	1	45	-2.0	-124.02	384.17	7.77	-116.25
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C1	REAL300000367325	0	43	-2.0	-129.49	383.57	9.43	-120.06
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000367326	0	43	-2.0	-129.53	379.40	9.14	-120.39
CCC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000367327	0	37	-2.0	-131.31	342.54	8.02	-123.29
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C1	REAL300000367328	1	46	-2.0	-134.02	404.86	9.02	-125.00
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=CC=C1C	REAL300000367329	1	46	-2.0	-126.46	398.75	8.77	-117.69
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C(C(=O)[O-])=C1	REAL300000367330	0	45	-2.0	-143.30	383.77	7.87	-135.43
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)C(C(=O)[O-])=C1	REAL300000367331	1	38	-2.0	-114.45	362.69	7.84	-106.61
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000367332	0	37	-2.0	-133.09	332.64	5.28	-127.81
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)C(C(=O)[O-])=C1	REAL300000367333	1	40	-2.0	-118.73	360.60	8.44	-110.29
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C1	REAL300000367334	1	41	-2.0	-131.75	357.40	6.88	-124.87
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000367335	0	34	-2.0	-128.42	328.38	7.51	-120.91
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)C(C(=O)[O-])=C1	REAL300000367337	1	43	-2.0	-133.18	373.34	9.60	-123.58
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C(C(=O)[O-])=C1	REAL300000367338	0	31	-2.0	-123.54	314.02	6.10	-117.44
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CS2)C(C(=O)[O-])=C1	REAL300000367339	0	34	-2.0	-126.96	319.61	6.31	-120.65
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000367340	1	47	-2.0	-132.58	402.06	7.01	-125.57
CCC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C(C(=O)[O-])=C1	REAL300000367341	0	31	-2.0	-122.20	304.33	3.46	-118.74
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C(C(=O)[O-])=C1	REAL300000367342	0	39	-2.0	-136.81	360.56	7.71	-129.10
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C(C(=O)[O-])=C1	REAL300000367343	0	33	-2.0	-122.98	312.96	4.77	-118.21
CCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)C(C(=O)[O-])=C1	REAL300000367344	0	43	-2.0	-123.20	370.58	5.72	-117.48
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000367345	1	43	-2.0	-121.92	375.21	5.21	-116.71
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(C(=O)[O-])=C1	REAL300000367348	0	37	-2.0	-125.64	342.22	7.12	-118.52
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C(C(=O)[O-])=C1	REAL300000367349	0	37	-2.0	-131.80	357.33	8.71	-123.09
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NS2)C(C(=O)[O-])=C1	REAL300000367350	0	33	-2.0	-120.16	314.54	4.95	-115.21
CCC1=CC=C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000367352	0	38	-2.0	-105.20	348.37	6.21	-98.99
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C(C(=O)[O-])=C1	REAL300000367352	1	38	-2.0	-120.40	354.54	5.35	-115.05
CCC1=CC=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000367353	0	40	-2.0	-121.75	359.53	7.95	-113.80
CCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C(C(=O)[O-])=C1	REAL300000367356	0	31	-2.0	-125.39	304.32	5.69	-119.70
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)=CC3=C2)C(C(=O)[O-])=C1	REAL300000367357	1	43	-2.0	-123.22	377.11	6.40	-116.82
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C(C(=O)[O-])=C1	REAL300000367358	0	40	-2.0	-141.79	366.84	5.10	-136.69
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000367359	0	37	-2.0	-127.53	344.68	5.50	-122.03
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C(C(=O)[O-])=C1	REAL300000367360	1	43	-2.0	-129.21	370.87	8.25	-120.96
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C(C(=O)[O-])=C1	REAL300000367361	1	35	-2.0	-115.57	332.76	7.09	-108.48
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C([N+](=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000367364	0	39	-2.0	-119.94	355.75	7.90	-112.04
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C(=O)[O-])=C1	REAL300000367365	0	40	-2.0	-97.38	350.73	7.93	-89.45
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C(C(=O)[O-])=C1	REAL300000367366	0	35	-2.0	-126.85	338.93	5.94	-120.91
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000367367	0	38	-3.0	-220.61	358.25	9.06	-211.55
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000367370	0	43	-2.0	-127.90	382.33	7.91	-119.99
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C(C(=O)[O-])=C1	REAL300000367371	0	34	-2.0	-118.07	338.62	6.85	-111.22
CCC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000367372	0	39	-2.0	-133.33	343.03	3.56	-129.77
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)S2)C(C(=O)[O-])=C1	REAL300000367373	0	37	-2.0	-129.71	336.15	7.28	-122.43
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000367374	0	42	-2.0	-119.92	372.28	5.99	-113.93
CCC1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367375	0	35	-2.0	-115.66	329.42	5.51	-110.15
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)C(C(=O)[O-])=C1	REAL300000367376	0	36	-2.0	-117.63	333.60	6.04	-111.59
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)C(C(=O)[O-])=C1	REAL300000367377	1	40	-2.0	-120.63	360.47	8.17	-112.46
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000367378	1	43	-2.0	-134.13	383.00	8.09	-126.04
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C(C(=O)[O-])=C1	REAL300000367379	1	36	-2.0	-116.73	345.79	6.52	-110.21
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000367383	0	37	-2.0	-123.81	326.71	4.89	-118.92
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])C=C1	REAL300000367384	1	38	-2.0	-129.70	337.13	7.74	-121.96
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CC)=C2)C(C(=O)[O-])=C1	REAL300000367385	1	47	-2.0	-141.24	398.19	7.49	-133.75
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C)C(C(=O)[O-])=C1	REAL300000367386	0	37	-2.0	-126.01	329.43	5.02	-120.99
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(COC)=C2)C(C(=O)[O-])=C1	REAL300000367387	1	41	-2.0	-127.79	377.86	6.89	-120.90
CCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000367388	0	34	-2.0	-116.58	321.89	5.26	-111.32
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C(C(=O)[O-])=C1	REAL300000367390	1	39	-2.0	-124.88	352.48	3.85	-121.03
CCC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000367392	0	34	-2.0	-123.62	321.69	4.18	-119.44
CCC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000367393	0	40	-2.0	-124.04	352.34	6.57	-117.47
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(N(C)C)C=CC=C23)C(C(=O)[O-])=C1	REAL300000367394	1	48	-2.0	-134.89	400.51	8.82	-126.07
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C(C(=O)[O-])=C1	REAL300000367396	1	36	-2.0	-125.52	354.22	6.58	-118.94
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(OC)C=C2OC)C(C(=O)[O-])=C1	REAL300000367397	0	42	-2.0	-129.87	379.81	6.30	-123.57
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C(C(=O)[O-])=C1	REAL300000367398	0	42	-2.0	-117.69	377.19	5.22	-112.47
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000367400	1	38	-2.0	-121.48	351.56	6.51	-114.97
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C(C(=O)[O-])=C1	REAL300000367401	0	38	-2.0	-136.18	357.62	3.29	-132.89
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000367402	0	36	-3.0	-217.13	338.14	7.24	-209.89
CCC1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C(C(=O)[O-])=C1	REAL300000367403	0	31	-2.0	-131.17	305.40	4.66	-126.51
CCC1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C(C(=O)[O-])=C1	REAL300000367404	0	36	-2.0	-140.35	337.24	6.08	-134.27
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C(C(=O)[O-])=C1	REAL300000367405	1	39	-2.0	-131.86	341.84	6.49	-125.37
CCC1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000367407	0	40	-2.0	-139.88	356.55	8.96	-130.92
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C(C(=O)[O-])=C1	REAL300000367408	0	37	-2.0	-133.34	346.19	5.72	-127.62
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000367409	0	37	-2.0	-129.01	333.19	8.15	-120.86
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000367410	0	38	-2.0	-124.29	350.46	6.78	-117.51
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C(C(=O)[O-])=C1	REAL300000367411	0	39	-2.0	-140.41	342.35	6.47	-133.94
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)OC)C(F)=C2)C(C(=O)[O-])=C1	REAL300000367412	1	43	-2.0	-129.45	388.46	8.14	-121.31
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC3=C(C)C=CC=C32)C(C(=O)[O-])=C1	REAL300000367413	0	43	-2.0	-131.90	375.95	9.68	-122.22
CCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000367419	0	37	-2.0	-136.18	335.95	7.60	-128.58
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C(C(=O)[O-])=C1	REAL300000367420	0	33	-2.0	-118.68	331.08	5.85	-112.83
CCC1=CC=C([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000367421	0	34	-2.0	-119.42	329.61	4.81	-114.61
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C(C(=O)[O-])=C1	REAL300000367422	1	39	-2.0	-127.19	349.89	5.11	-122.08
CCC1=CC=C(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367424	0	40	-2.0	-110.89	357.87	7.82	-103.07
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367424	1	39	-3.0	-197.80	355.67	7.78	-190.02
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000367426	0	38	-2.0	-130.36	340.71	6.51	-123.85
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C(C(=O)[O-])=C1	REAL300000367427	1	37	-2.0	-116.77	345.62	5.75	-111.02
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367428	1	42	-2.0	-126.39	368.50	8.49	-117.90
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000367429	0	50	-2.0	-138.23	410.48	8.77	-129.46
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(OC)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000367431	0	37	-2.0	-117.49	349.30	3.89	-113.60
CCC1=CC=C([N-]S(=O)(=O)C2=CON=C2C)C(C(=O)[O-])=C1	REAL300000367432	0	33	-2.0	-117.20	303.00	4.61	-112.59
CCC1=CC=C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000367433	1	38	-2.0	-123.47	356.11	4.81	-118.66
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C(C(=O)[O-])=C1	REAL300000367434	1	37	-2.0	-122.85	341.50	7.76	-115.09
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000367435	1	40	-2.0	-138.61	354.14	7.64	-130.97
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000367436	0	43	-2.0	-134.26	386.60	8.00	-126.26
CCC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC(C)=C2)C(C(=O)[O-])=C1	REAL300000367437	0	36	-2.0	-135.34	340.63	7.85	-127.49
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C(C(=O)[O-])=C1	REAL300000367439	1	37	-2.0	-121.14	348.04	4.85	-116.29
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C(C(=O)[O-])=C1	REAL300000367440	0	33	-2.0	-131.85	306.55	4.84	-127.01
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C(C(=O)[O-])=C1	REAL300000367443	0	33	-2.0	-116.62	307.44	4.81	-111.81
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CCC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C(C(=O)[O-])=C1	REAL300000367446	0	32	-2.0	-130.90	316.42	6.05	-124.85
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CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C(C(=O)[O-])=C1	REAL300000367450	0	43	-2.0	-138.88	367.74	7.01	-131.87
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C(C(=O)[O-])=C1	REAL300000367451	1	41	-2.0	-132.26	371.16	4.51	-127.75
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C(C(=O)[O-])=C1	REAL300000367452	0	42	-2.0	-139.23	358.23	7.86	-131.37
CCC1=CC=C([N-]S(=O)(=O)C2=COC(C(=O)N(C)C)=C2C)C(C(=O)[O-])=C1	REAL300000367453	0	44	-2.0	-128.74	379.18	5.63	-123.11
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CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367479	1	42	-3.0	-218.16	375.55	9.33	-208.83
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C(C(=O)[O-])=C1	REAL300000367480	0	37	-2.0	-113.47	346.64	5.32	-108.15
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C(C(=O)[O-])=C1	REAL300000367481	0	33	-2.0	-124.01	323.42	5.26	-118.75
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C(C(=O)[O-])=C1	REAL300000367482	1	44	-2.0	-142.89	372.14	10.06	-132.83
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CCC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000367486	0	36	-2.0	-140.50	333.14	5.63	-134.87
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CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(=O)[O-])=C1	REAL300000367489	0	35	-3.0	-204.83	330.72	5.34	-199.49
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)C(C(=O)[O-])=C1	REAL300000367490	0	38	-2.0	-122.35	334.90	6.63	-115.72
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C(C(=O)[O-])=C1	REAL300000367492	1	46	-2.0	-126.01	384.26	8.91	-117.10
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000367493	1	35	-2.0	-116.97	333.31	7.11	-109.86
CCC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000367494	0	37	-2.0	-120.97	339.19	5.29	-115.68
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C(C(=O)[O-])=C1	REAL300000367495	0	36	-2.0	-140.38	329.21	5.84	-134.54
CCC1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C(C(=O)[O-])=C1	REAL300000367495	1	36	-2.0	-126.82	329.31	5.70	-121.12
CCC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000367496	0	38	-2.0	-138.00	339.78	6.62	-131.38
CCC1=CC=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000367497	0	44	-2.0	-126.74	367.04	6.77	-119.97
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000367498	0	46	-2.0	-123.12	371.34	7.18	-115.94
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000367500	0	44	-2.0	-126.73	373.45	7.01	-119.72
CCC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C(C(=O)[O-])=C1	REAL300000367501	0	37	-2.0	-118.36	340.34	5.55	-112.81
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2Br)C(C(=O)[O-])=C1	REAL300000367502	0	34	-2.0	-124.77	331.25	4.86	-119.91
CCC1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000367506	0	35	-2.0	-106.38	315.98	5.24	-101.14
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C(C(=O)[O-])=C1	REAL300000367506	1	35	-2.0	-121.35	322.22	4.41	-116.94
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(CC)C=C1C(=O)[O-]	REAL300000367508	0	40	-2.0	-122.81	345.08	5.71	-117.10
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)C(C(=O)[O-])=C1	REAL300000367509	1	39	-2.0	-126.68	351.83	7.14	-119.54
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C(C(=O)[O-])=C1	REAL300000367510	0	34	-2.0	-119.56	311.25	4.01	-115.55
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2C#N)C(C(=O)[O-])=C1	REAL300000367511	0	38	-2.0	-135.31	345.54	7.61	-127.70
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000367512	0	38	-2.0	-133.96	337.81	7.89	-126.07
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000367513	1	37	-2.0	-121.82	342.72	7.55	-114.27
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C(C(=O)[O-])=C1	REAL300000367516	1	41	-2.0	-131.22	369.79	8.61	-122.61
CCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=NS2)C(C(=O)[O-])=C1	REAL300000367518	0	34	-2.0	-117.14	325.29	2.45	-114.69
CCC1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C(C(=O)[O-])=C1	REAL300000367520	0	30	-2.0	-119.37	292.78	4.36	-115.01
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C(=O)[O-])=C1	REAL300000367523	0	40	-3.0	-195.14	362.71	7.01	-188.13
CCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C(=O)[O-])=C1	REAL300000367523	1	41	-2.0	-112.40	358.69	6.90	-105.50
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000367524	0	38	-2.0	-123.10	345.58	2.26	-120.84
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC)C=C1C(=O)[O-]	REAL300000367525	1	43	-2.0	-122.08	353.25	8.94	-113.14
CCC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000367526	0	34	-2.0	-131.07	320.42	6.77	-124.30
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367528	0	33	-3.0	-188.00	334.61	6.19	-181.81
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C(C(=O)[O-])=C1	REAL300000367529	1	39	-2.0	-139.26	342.29	7.16	-132.10
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CN2C)C(C(=O)[O-])=C1	REAL300000367530	0	41	-2.0	-129.30	367.46	6.84	-122.46
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C(C(=O)[O-])=C1	REAL300000367531	0	35	-2.0	-131.13	331.88	7.07	-124.06
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=N2)C(C(=O)[O-])=C1	REAL300000367532	0	33	-2.0	-129.54	304.83	2.97	-126.57
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(Cl)O2)C(C(=O)[O-])=C1	REAL300000367533	0	37	-2.0	-118.15	360.61	5.93	-112.22
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000367534	0	41	-2.0	-126.31	355.94	6.34	-119.97
CCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C(C(=O)[O-])=C1	REAL300000367535	0	41	-2.0	-124.00	353.33	6.55	-117.45
CCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C(C(=O)[O-])=C1	REAL300000367536	0	44	-2.0	-124.31	375.45	7.25	-117.06
CCC1=CC=C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C(=O)[O-])=C1	REAL300000367537	0	35	-2.0	-103.23	342.39	6.22	-97.01
CCC1=CC=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C(C(=O)[O-])=C1	REAL300000367538	0	45	-2.0	-133.86	381.09	4.65	-129.21
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C(C(=O)[O-])=C1	REAL300000367539	0	40	-2.0	-128.46	372.88	7.56	-120.90
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C(C(=O)[O-])=C1	REAL300000367540	1	40	-2.0	-125.33	356.76	3.89	-121.44
CCC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C(C(=O)[O-])=C1	REAL300000367541	0	31	-2.0	-125.05	306.71	5.39	-119.66
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(OC)C(F)=C2)C(C(=O)[O-])=C1	REAL300000367542	1	38	-2.0	-117.08	351.92	6.20	-110.88
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C(C(=O)[O-])=C1	REAL300000367543	0	41	-2.0	-129.55	348.96	6.72	-122.83
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(OC)C=C2F)C(C(=O)[O-])=C1	REAL300000367544	0	38	-2.0	-124.93	347.24	6.09	-118.84
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C(C(=O)[O-])=C1	REAL300000367546	0	44	-2.0	-133.02	380.49	8.05	-124.97
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC=C2C)C(C(=O)[O-])=C1	REAL300000367547	1	37	-2.0	-124.33	328.94	7.36	-116.97
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C(C(=O)[O-])=C1	REAL300000367548	0	42	-2.0	-141.41	363.47	7.24	-134.17
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000367549	0	42	-2.0	-125.93	374.71	6.32	-119.61
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C(C(=O)[O-])=C1	REAL300000367550	1	42	-2.0	-131.72	374.29	8.86	-122.86
CCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC(F)=C2OC)C(C(=O)[O-])=C1	REAL300000367551	0	38	-2.0	-132.22	342.51	7.32	-124.90
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C(C(=O)[O-])=C1	REAL300000367552	0	40	-2.0	-134.60	359.75	7.27	-127.33
CCC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C(C(=O)[O-])=C1	REAL300000367553	0	31	-2.0	-123.97	311.47	6.09	-117.88
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=NN2C)C(C(=O)[O-])=C1	REAL300000367554	0	34	-2.0	-115.54	326.98	4.84	-110.70
CCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000367555	0	36	-2.0	-117.25	339.94	5.82	-111.43
CCC1=CC=C([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)C(C(=O)[O-])=C1	REAL300000367556	0	39	-2.0	-144.23	346.73	6.26	-137.97
CCC1=CC=C([N-]S(=O)(=O)C2=CN=NN2CC)C(C(=O)[O-])=C1	REAL300000367557	0	36	-2.0	-114.90	321.27	3.99	-110.91
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C(C(=O)[O-])=C1	REAL300000367559	1	35	-2.0	-115.89	320.92	5.44	-110.45
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C(C(=O)[O-])=C1	REAL300000367560	0	37	-2.0	-131.87	344.88	8.08	-123.79
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C(C(=O)[O-])=C1	REAL300000367561	0	37	-2.0	-143.18	350.95	6.36	-136.82
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C(C(=O)[O-])=C1	REAL300000367562	0	41	-2.0	-122.69	357.98	6.37	-116.32
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)C(C(=O)[O-])=C1	REAL300000367564	0	42	-2.0	-128.28	357.90	6.41	-121.87
CCC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000367566	0	37	-2.0	-132.28	335.81	6.93	-125.35
CCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC(OC)=C2OC)C(C(=O)[O-])=C1	REAL300000367567	0	42	-2.0	-138.59	365.53	6.98	-131.61
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C(C(=O)[O-])=C1	REAL300000367568	0	47	-2.0	-131.93	394.79	7.56	-124.37
CCC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000367569	0	38	-2.0	-132.59	356.93	8.59	-124.00
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C(C(=O)[O-])=C1	REAL300000367570	0	41	-2.0	-128.65	361.34	6.58	-122.07
CCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000367572	0	37	-2.0	-137.29	335.48	5.86	-131.43
CCC1=CC=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C(C(=O)[O-])=C1	REAL300000367573	0	39	-2.0	-148.76	350.58	5.05	-143.71
CCC1=CC=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000367574	0	41	-2.0	-128.62	346.71	8.62	-120.00
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)C(C(=O)[O-])=C1	REAL300000367575	1	38	-2.0	-128.04	334.05	4.36	-123.68
CCC1=CC=C([N-]S(=O)(=O)C2=CSN=C2OC)C(C(=O)[O-])=C1	REAL300000367576	0	34	-2.0	-125.24	323.34	2.52	-122.72
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)NC=N2)C(C(=O)[O-])=C1	REAL300000367577	0	34	-2.0	-135.97	305.16	4.76	-131.21
CCC1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C(C(=O)[O-])=C1	REAL300000367579	1	37	-2.0	-125.89	339.76	7.04	-118.85
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000367580	0	44	-2.0	-130.62	377.57	7.06	-123.56
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)C(C(=O)[O-])=C1	REAL300000367581	1	52	-2.0	-131.99	419.62	10.56	-121.43
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C(C(=O)[O-])=C1	REAL300000367582	0	31	-2.0	-123.46	311.85	6.19	-117.27
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000367583	0	44	-2.0	-126.98	380.04	7.30	-119.68
CCC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C(C(=O)[O-])=C1	REAL300000367584	0	38	-2.0	-132.87	344.16	7.77	-125.10
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)C(C(=O)[O-])=C1	REAL300000367585	1	47	-2.0	-137.71	395.86	5.06	-132.65
CCC1=CC=C([N-]S(=O)(=O)C2=C(OC)C=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000367586	0	43	-2.0	-156.18	371.47	7.85	-148.33
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C1	REAL300000367587	1	43	-2.0	-131.01	370.43	8.86	-122.15
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=NN2C)C(C(=O)[O-])=C1	REAL300000367588	0	40	-2.0	-119.12	361.32	5.06	-114.06
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000367589	0	35	-2.0	-128.97	330.52	7.01	-121.96
CCC1=CC=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000367590	0	41	-2.0	-127.02	351.76	6.18	-120.84
CCC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367591	0	38	-2.0	-112.82	362.48	8.00	-104.82
CCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000367594	0	43	-2.0	-119.96	353.08	6.55	-113.41
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000367595	0	43	-2.0	-126.87	370.53	6.37	-120.50
CCC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000367596	0	41	-2.0	-126.79	354.62	5.75	-121.04
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)C(C(=O)[O-])=C1	REAL300000367597	0	39	-2.0	-117.26	356.96	6.47	-110.79
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000367598	0	45	-2.0	-126.35	380.31	7.47	-118.88
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367599	0	36	-2.0	-109.26	345.06	7.40	-101.86
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000367600	1	37	-2.0	-117.64	351.19	7.71	-109.93
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C(C(=O)[O-])=C1	REAL300000367601	1	37	-2.0	-127.36	334.04	7.47	-119.89
CCC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C(C(=O)[O-])=C1	REAL300000367602	0	34	-2.0	-124.74	327.62	7.03	-117.71
CCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000367603	0	34	-2.0	-118.30	337.79	6.76	-111.54
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NN2C)C(C(=O)[O-])=C1	REAL300000367604	0	37	-2.0	-121.23	327.20	4.92	-116.31
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000367606	1	40	-2.0	-129.36	338.54	7.96	-121.40
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000367607	1	37	-2.0	-135.22	325.73	7.92	-127.30
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C1	REAL300000367608	1	45	-2.0	-138.90	390.62	8.69	-130.21
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)C(C(=O)[O-])=C1	REAL300000367610	1	44	-2.0	-131.49	386.28	8.34	-123.15
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000367612	0	39	-2.0	-122.50	364.84	7.13	-115.37
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(COC(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000367613	1	43	-2.0	-128.76	384.47	8.31	-120.45
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C(C(=O)[O-])=C1	REAL300000367614	0	35	-2.0	-126.07	338.70	7.50	-118.57
CCC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000367615	0	34	-2.0	-125.73	325.63	6.89	-118.84
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C(C(=O)[O-])=C1	REAL300000367616	1	41	-2.0	-131.07	355.27	8.76	-122.31
CCC1=CC=C([N-]S(=O)(=O)C2=C(OC)SC=C2)C(C(=O)[O-])=C1	REAL300000367617	0	35	-2.0	-131.60	328.30	5.10	-126.50
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000367618	0	37	-2.0	-123.44	337.04	8.08	-115.36
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(C)S2)C(C(=O)[O-])=C1	REAL300000367619	0	40	-2.0	-122.99	371.01	6.96	-116.03
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C(C(=O)[O-])=C1	REAL300000367620	0	41	-2.0	-133.85	360.75	8.82	-125.03
CCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C(C(=O)[O-])=C1	REAL300000367621	0	44	-2.0	-124.91	370.85	7.25	-117.66
CCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)CC)C(C(=O)[O-])=C1	REAL300000367622	0	43	-2.0	-123.33	365.97	6.55	-116.78
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(=O)NC)C=C2)C(C(=O)[O-])=C1	REAL300000367623	1	43	-2.0	-133.86	377.28	4.17	-129.69
CCC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)C(C(=O)[O-])=C1	REAL300000367625	0	37	-2.0	-136.63	359.98	3.15	-133.48
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C(C(=O)[O-])=C1	REAL300000367626	0	39	-2.0	-139.70	349.65	5.01	-134.69
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])O1	REAL300000367627	0	37	-2.0	-128.65	332.12	6.25	-122.40
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C(C(=O)[O-])=C1	REAL300000367628	0	34	-2.0	-120.10	329.90	5.87	-114.23
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2OC)C(C(=O)[O-])=C1	REAL300000367629	0	38	-2.0	-121.94	346.99	6.56	-115.38
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)C(C(=O)[O-])=C1	REAL300000367630	0	48	-2.0	-128.14	404.38	5.79	-122.35
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000367631	1	40	-2.0	-129.49	359.26	8.19	-121.30
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C(C(=O)[O-])=C1	REAL300000367632	1	38	-2.0	-128.25	345.30	6.23	-122.02
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)S2)C(C(=O)[O-])=C1	REAL300000367634	0	35	-2.0	-124.65	329.83	5.10	-119.55
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000367635	0	45	-2.0	-148.07	377.49	8.94	-139.13
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C(C(=O)[O-])=C1	REAL300000367637	0	37	-2.0	-121.96	338.71	5.36	-116.60
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C1	REAL300000367638	1	44	-2.0	-130.98	382.96	7.34	-123.64
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)C(C(=O)[O-])=C1	REAL300000367639	0	37	-2.0	-122.22	357.71	6.11	-116.11
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C(C(=O)[O-])=C1	REAL300000367640	0	44	-2.0	-125.22	385.72	7.85	-117.37
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000367641	0	47	-2.0	-126.27	392.43	7.59	-118.68
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C(C(=O)[O-])=C1	REAL300000367643	1	37	-2.0	-128.14	326.61	7.62	-120.52
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC)C=C1C(=O)[O-]	REAL300000367644	1	46	-2.0	-131.74	394.73	9.59	-122.15
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C(C(=O)[O-])=C1	REAL300000367645	0	37	-2.0	-135.29	333.05	7.01	-128.28
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C(C(=O)[O-])=C1	REAL300000367646	1	36	-2.0	-130.59	336.98	6.05	-124.54
CCC1=CC=C([N-]S(=O)(=O)C2=NN(CC)N=C2)C(C(=O)[O-])=C1	REAL300000367647	0	36	-2.0	-125.72	326.75	3.52	-122.20
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(CC)N=C2)C(C(=O)[O-])=C1	REAL300000367648	0	37	-2.0	-121.15	347.71	5.58	-115.57
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C(C(=O)[O-])=C1	REAL300000367649	0	36	-2.0	-122.48	347.05	5.93	-116.55
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C(C(=O)[O-])=C1	REAL300000367650	0	31	-2.0	-121.41	305.79	5.27	-116.14
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C(C(=O)[O-])=C1	REAL300000367651	1	39	-2.0	-137.94	359.24	7.63	-130.31
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000367652	1	43	-2.0	-139.83	364.81	9.50	-130.33
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000367654	0	34	-2.0	-122.94	333.56	7.27	-115.67
CCC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C)O2)C(C(=O)[O-])=C1	REAL300000367655	0	40	-2.0	-142.06	369.70	2.94	-139.12
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000367656	0	44	-2.0	-132.14	381.59	8.00	-124.14
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000367658	0	38	-2.0	-129.23	349.86	7.97	-121.26
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000367659	1	37	-2.0	-114.92	351.51	7.46	-107.46
CCC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C(C(=O)[O-])=C1	REAL300000367661	0	30	-2.0	-115.55	309.97	5.07	-110.48
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CO2)C(C(=O)[O-])=C1	REAL300000367662	0	34	-2.0	-127.64	310.63	5.32	-122.32
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)OC)C=C2)C(C(=O)[O-])=C1	REAL300000367663	1	44	-2.0	-127.55	392.72	8.55	-119.00
CCC1=CC=C([N-]S(=O)(=O)C2=C(OC)C(OC)=CS2)C(C(=O)[O-])=C1	REAL300000367664	0	39	-2.0	-126.06	359.01	4.66	-121.40
CCC1=CC=C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000367665	0	35	-2.0	-90.51	339.84	5.25	-85.26
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000367665	1	34	-3.0	-190.18	342.61	5.69	-184.49
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000367666	0	33	-2.0	-111.75	323.67	5.29	-106.46
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C(C(=O)[O-])=C1	REAL300000367667	1	38	-2.0	-126.71	351.53	6.30	-120.41
CCC1=CC=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C(C(=O)[O-])=C1	REAL300000367668	0	40	-2.0	-127.63	349.44	6.66	-120.97
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000367669	1	41	-2.0	-137.28	359.76	8.42	-128.86
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000367670	0	37	-2.0	-128.93	336.73	8.06	-120.87
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000367671	0	31	-2.0	-115.62	331.11	6.75	-108.87
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000367672	0	34	-2.0	-120.48	325.90	4.71	-115.77
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C3=CC=CC=C3)N=C2C)C(C(=O)[O-])=C1	REAL300000367673	0	47	-2.0	-130.65	399.76	9.08	-121.57
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000367674	1	39	-2.0	-125.37	358.72	7.33	-118.04
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C(C(=O)[O-])=C1	REAL300000367675	1	45	-2.0	-132.58	394.78	9.50	-123.08
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C(C(=O)[O-])=C1	REAL300000367676	1	40	-2.0	-138.56	342.46	8.45	-130.11
CCC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C(C(=O)[O-])=C1	REAL300000367677	0	32	-2.0	-124.69	310.20	5.11	-119.58
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C(C(=O)[O-])=C1	REAL300000367678	1	39	-2.0	-123.41	360.90	5.23	-118.18
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C(C(=O)[O-])=C1	REAL300000367679	0	35	-2.0	-128.94	347.54	5.45	-123.49
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CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])S1	REAL300000367680	1	42	-3.0	-202.16	383.71	4.61	-197.55
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)C(C(=O)[O-])=C1	REAL300000367681	0	36	-2.0	-116.05	333.79	6.04	-110.01
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])=C1	REAL300000367682	1	45	-2.0	-132.53	389.72	8.28	-124.25
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)N=C2C2CC2)C(C(=O)[O-])=C1	REAL300000367683	0	44	-2.0	-129.14	382.86	7.45	-121.69
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000367684	0	38	-2.0	-132.87	344.28	6.01	-126.86
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C(C(=O)[O-])=C1	REAL300000367685	1	40	-2.0	-126.91	368.69	9.44	-117.47
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CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C(C(=O)[O-])=C1	REAL300000367690	0	31	-2.0	-120.87	314.85	6.17	-114.70
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CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C(C(=O)[O-])=C1	REAL300000367692	0	40	-2.0	-132.49	364.89	9.49	-123.00
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CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C(C(=O)[O-])=C1	REAL300000367694	1	41	-2.0	-131.18	349.59	8.82	-122.36
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)N=C2C)C(C(=O)[O-])=C1	REAL300000367698	1	40	-2.0	-120.53	348.89	4.09	-116.44
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)C(C(=O)[O-])=C1	REAL300000367699	0	40	-2.0	-133.31	353.45	4.48	-128.83
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2OC)C(C(=O)[O-])=C1	REAL300000367700	0	37	-2.0	-125.66	348.76	4.32	-121.34
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)C(C(=O)[O-])=C1	REAL300000367701	1	40	-2.0	-122.63	353.35	4.06	-118.57
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000367702	0	43	-2.0	-124.80	368.98	6.81	-117.99
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)C(C(=O)[O-])=C1	REAL300000367703	0	43	-2.0	-126.94	369.65	6.39	-120.55
CCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C(C(=O)[O-])=C1	REAL300000367704	0	33	-2.0	-123.55	333.38	4.64	-118.91
CCC1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C(C(=O)[O-])=C1	REAL300000367705	0	32	-2.0	-127.45	309.00	5.06	-122.39
CCC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C(C(=O)[O-])=C1	REAL300000367706	0	32	-2.0	-122.84	318.10	5.99	-116.85
CCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C(C(=O)[O-])=C1	REAL300000367707	0	40	-2.0	-122.64	347.75	5.92	-116.72
CCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(=O)OC)C(C)=C2)C(C(=O)[O-])=C1	REAL300000367708	0	42	-2.0	-119.68	372.82	6.02	-113.66
CCC1=CC=C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(=O)[O-])=C1	REAL300000367709	0	44	-2.0	-109.54	378.88	9.04	-100.50
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(=O)[O-])=C1	REAL300000367709	1	43	-3.0	-195.35	380.63	9.10	-186.25
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000367710	0	37	-2.0	-132.23	347.89	8.46	-123.77
CCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C(C(=O)[O-])=C1	REAL300000367711	0	41	-2.0	-121.77	358.25	6.78	-114.99
CCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000367712	0	41	-2.0	-129.83	359.76	7.80	-122.03
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000367714	0	43	-2.0	-124.99	369.13	6.46	-118.53
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C(C(=O)[O-])=C1	REAL300000367715	1	41	-2.0	-133.99	365.92	8.86	-125.13
CCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000367716	0	36	-2.0	-123.62	333.38	5.68	-117.94
CCC1=CC=C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)C(C(=O)[O-])=C1	REAL300000367717	0	34	-2.0	-123.93	345.46	2.78	-121.15
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000367719	1	41	-2.0	-131.76	367.54	8.89	-122.87
CCC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C(C(=O)[O-])=C1	REAL300000367720	0	38	-2.0	-131.24	356.49	7.12	-124.12
CCC1=CC=C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(=O)[O-])=C1	REAL300000367721	0	44	-2.0	-101.57	378.33	9.04	-92.53
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(=O)[O-])=C1	REAL300000367721	1	43	-3.0	-210.49	378.59	9.07	-201.42
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C(C(=O)[O-])=C1	REAL300000367722	1	35	-2.0	-129.78	317.06	3.80	-125.98
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000367723	0	37	-2.0	-137.75	345.69	7.65	-130.10
CCC1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C(C(=O)[O-])=C1	REAL300000367724	0	30	-2.0	-117.07	291.69	4.26	-112.81
CCC1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000367725	0	38	-2.0	-142.47	354.10	5.91	-136.56
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C(C(=O)[O-])=C1	REAL300000367726	1	41	-2.0	-137.25	361.87	8.95	-128.30
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2Cl)C(C(=O)[O-])=C1	REAL300000367727	0	37	-2.0	-126.83	353.10	8.27	-118.56
CCC1=CC=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000367728	0	41	-2.0	-129.24	373.95	7.70	-121.54
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C=C2C(F)F)C(C(=O)[O-])=C1	REAL300000367729	1	41	-2.0	-128.64	357.05	7.14	-121.50
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000367730	0	42	-2.0	-147.57	363.77	7.82	-139.75
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000367731	0	39	-3.0	-190.55	352.81	7.09	-183.46
CCC1=C(S(=O)(=O)NC2=CC=C(CC)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000367731	1	40	-2.0	-98.03	353.01	6.75	-91.28
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)C(C(=O)[O-])=C1	REAL300000367732	0	47	-2.0	-140.25	395.50	8.65	-131.60
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000367733	0	34	-2.0	-118.46	332.59	7.04	-111.42
CCC1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C(C(=O)[O-])=C1	REAL300000367734	0	30	-2.0	-122.21	292.63	3.77	-118.44
CCC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000367735	0	41	-2.0	-127.50	351.76	5.97	-121.53
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C(C(=O)[O-])=C1	REAL300000367736	0	37	-2.0	-134.82	332.94	7.38	-127.44
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000367737	1	36	-2.0	-111.18	345.87	4.28	-106.90
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000367739	1	36	-2.0	-113.65	341.32	4.25	-109.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)=O)=C1	REAL300000367740	0	40	-2.0	-120.32	369.47	4.04	-116.28
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000367741	1	40	-2.0	-101.34	372.79	5.55	-95.79
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000367743	0	36	-2.0	-110.26	354.40	4.82	-105.44
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000367744	1	36	-2.0	-109.59	353.84	4.64	-104.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2)=C1C	REAL300000367745	1	42	-2.0	-118.07	374.00	5.59	-112.48
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000367746	0	36	-2.0	-111.69	346.80	4.31	-107.38
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000367747	1	42	-2.0	-100.76	384.91	5.83	-94.93
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000367748	0	33	-2.0	-107.96	334.51	3.26	-104.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)=O)=C1	REAL300000367749	1	39	-2.0	-116.03	356.76	5.03	-111.00
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2)C=C1C(=O)[O-]	REAL300000367751	1	37	-2.0	-112.02	347.97	3.60	-108.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2)=C1	REAL300000367753	0	36	-2.0	-104.04	350.44	3.94	-100.10
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000367755	0	33	-2.0	-109.39	332.97	3.28	-106.11
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)=O)=C1	REAL300000367757	1	45	-2.0	-118.22	395.23	6.25	-111.97
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)=O)=C1	REAL300000367758	1	42	-2.0	-114.76	371.46	5.97	-108.79
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)=O)=C1	REAL300000367759	0	43	-2.0	-120.54	391.75	4.81	-115.73
CS(=O)CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000367760	0	39	-2.0	-112.39	376.44	4.67	-107.72
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000367760	1	38	-3.0	-187.25	369.74	4.81	-182.44
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000367761	1	43	-2.0	-120.07	385.57	6.15	-113.92
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000367762	0	36	-2.0	-108.48	344.33	3.38	-105.10
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2)=C1	REAL300000367763	0	40	-2.0	-114.25	370.31	3.34	-110.91
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)=O)=C1	REAL300000367765	1	39	-2.0	-106.25	362.03	5.07	-101.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2)C=C(C(=O)[O-])S1	REAL300000367767	1	36	-2.0	-111.99	351.02	4.13	-107.86
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000367768	0	36	-2.0	-98.85	354.37	4.81	-94.04
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000367769	1	36	-2.0	-100.76	345.85	4.29	-96.47
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000367770	0	33	-2.0	-102.88	333.59	3.38	-99.50
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000367771	1	36	-2.0	-104.49	347.74	4.31	-100.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2)=C1F	REAL300000367772	0	39	-2.0	-113.04	367.08	4.94	-108.10
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000367773	0	36	-2.0	-100.47	346.79	4.32	-96.15
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000367774	1	36	-2.0	-98.87	353.82	4.65	-94.22
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000367775	1	36	-2.0	-102.70	352.15	4.34	-98.36
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000367776	1	38	-2.0	-98.60	369.52	4.91	-93.69
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000367777	0	37	-2.0	-115.27	351.04	1.95	-113.32
CS(=O)CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000367777	1	37	-2.0	-111.86	350.13	2.83	-109.03
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000367778	1	39	-2.0	-105.67	363.51	5.03	-100.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)=O)=C1	REAL300000367779	1	39	-2.0	-108.86	351.39	4.89	-103.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000367780	1	39	-2.0	-112.43	366.17	4.90	-107.53
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000367783	0	38	-2.0	-111.87	367.90	5.34	-106.53
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000367784	0	36	-2.0	-103.01	353.08	4.38	-98.63
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2)C=C1C(=O)[O-]	REAL300000367786	0	39	-2.0	-114.00	366.64	4.94	-109.06
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2)=C1	REAL300000367787	0	39	-2.0	-117.17	366.36	4.94	-112.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2)C=C1C(=O)[O-]	REAL300000367788	1	42	-2.0	-115.54	375.61	5.43	-110.11
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2)C=C1C(=O)[O-]	REAL300000367790	1	40	-2.0	-113.30	369.34	4.47	-108.83
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000367793	0	38	-2.0	-119.47	365.05	6.11	-113.36
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000367794	0	36	-2.0	-116.43	344.98	4.29	-112.14
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2)C=C1C(=O)[O-]	REAL300000367795	1	39	-2.0	-106.23	366.26	4.93	-101.30
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000367796	0	35	-2.0	-111.29	337.54	2.38	-108.91
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)=O)=C1	REAL300000367797	0	40	-2.0	-105.76	369.52	4.06	-101.70
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000367798	0	33	-2.0	-101.84	341.47	3.25	-98.59
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000367799	1	43	-2.0	-108.52	387.45	6.14	-102.38
CS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000367800	1	43	-2.0	-109.88	386.79	6.13	-103.75
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000367801	0	39	-2.0	-108.59	363.45	4.23	-104.36
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367802	0	40	-2.0	-111.77	365.39	7.33	-104.44
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)OC)=C1	REAL300000367803	0	40	-2.0	-101.81	360.84	7.31	-94.50
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367804	0	40	-2.0	-114.49	360.85	7.30	-107.19
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C(=O)OC)=C1	REAL300000367805	0	44	-2.0	-118.74	389.00	7.10	-111.64
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(=O)OC)=C1	REAL300000367806	0	44	-2.0	-100.34	392.30	8.59	-91.75
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367807	0	43	-2.0	-115.96	376.87	7.83	-108.13
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(=O)OC)=C1	REAL300000367808	0	40	-2.0	-108.70	373.93	7.87	-100.83
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367809	0	40	-2.0	-110.24	373.36	7.69	-102.55
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C(=O)OC)=C1	REAL300000367810	0	46	-2.0	-115.72	393.96	8.64	-107.08
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(=O)OC)=C1	REAL300000367811	0	40	-2.0	-111.00	366.33	7.36	-103.64
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(=O)OC)=C1	REAL300000367812	0	46	-2.0	-99.45	404.43	8.89	-90.56
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(=O)OC)=C1	REAL300000367813	0	37	-2.0	-108.79	354.04	6.32	-102.47
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(=O)OC)=C1	REAL300000367814	0	43	-2.0	-113.61	376.29	8.09	-105.52
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(=O)OC)=C1	REAL300000367815	0	44	-2.0	-99.04	391.92	7.58	-91.46
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367816	0	41	-2.0	-112.92	367.50	6.66	-106.26
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C(=O)OC)=C1	REAL300000367817	1	44	-2.0	-113.67	385.06	6.11	-107.56
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C(=O)OC)=C1	REAL300000367818	0	40	-2.0	-104.97	369.97	6.99	-97.98
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C(=O)OC)=C1	REAL300000367819	0	46	-2.0	-114.90	392.30	8.62	-106.28
CCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367820	0	37	-2.0	-110.17	352.51	6.33	-103.84
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367821	0	44	-2.0	-120.39	388.15	7.37	-113.02
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C(C(=O)OC)=C1	REAL300000367822	0	46	-2.0	-110.30	386.47	8.83	-101.47
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367823	0	40	-2.0	-107.27	363.86	6.45	-100.82
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(=O)OC)=C1	REAL300000367824	0	44	-2.0	-117.28	389.78	6.40	-110.88
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(=O)OC)=C1	REAL300000367825	0	43	-2.0	-104.45	381.57	8.13	-96.32
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367826	0	40	-2.0	-110.11	369.48	7.20	-102.91
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(=O)OC)=C1	REAL300000367827	0	40	-2.0	-99.00	373.91	7.86	-91.14
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)OC)=C1	REAL300000367828	0	40	-2.0	-101.13	365.39	7.34	-93.79
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(=O)OC)=C1	REAL300000367829	0	37	-2.0	-103.61	353.12	6.43	-97.18
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367830	0	40	-2.0	-105.37	367.27	7.37	-98.00
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C(=O)OC)=C1	REAL300000367831	0	43	-2.0	-112.70	386.60	8.00	-104.70
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)OC)=C1	REAL300000367832	0	40	-2.0	-101.55	366.32	7.37	-94.18
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(=O)OC)=C1	REAL300000367833	0	40	-2.0	-99.27	373.36	7.70	-91.57
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367834	0	40	-2.0	-103.26	371.67	7.39	-95.87
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(=O)OC)=C1	REAL300000367835	0	41	-2.0	-111.80	370.57	5.01	-106.79
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)OC)=C1	REAL300000367836	0	43	-2.0	-104.49	383.03	8.09	-96.40
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(=O)OC)=C1	REAL300000367837	0	43	-2.0	-111.69	370.90	7.94	-103.75
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367838	0	43	-2.0	-113.29	385.69	7.95	-105.34
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C(=O)OC)=C1	REAL300000367839	0	43	-2.0	-101.38	376.27	8.08	-93.30
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367840	0	46	-2.0	-118.13	393.74	8.37	-109.76
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(=O)OC)=C1	REAL300000367841	0	40	-2.0	-102.95	372.59	7.43	-95.52
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C(=O)OC)=C1	REAL300000367842	0	46	-2.0	-116.11	395.34	8.69	-107.42
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(=O)OC)=C1	REAL300000367843	0	43	-2.0	-112.24	382.33	7.90	-104.34
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C(=O)OC)=C1	REAL300000367844	0	43	-2.0	-121.17	385.89	7.99	-113.18
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367845	0	46	-2.0	-116.74	394.82	8.49	-108.25
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367846	0	44	-2.0	-114.39	388.88	7.52	-106.87
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C(=O)OC)=C1	REAL300000367847	0	43	-2.0	-103.54	380.93	7.95	-95.59
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C(=O)OC)=C1	REAL300000367848	0	43	-2.0	-110.69	380.81	8.11	-102.58
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)OC)=C1	REAL300000367849	0	40	-2.0	-120.21	364.49	7.33	-112.88
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367850	0	43	-2.0	-106.36	382.02	7.87	-98.49
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(=O)OC)=C1	REAL300000367851	0	39	-2.0	-112.62	357.07	5.42	-107.20
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C(=O)OC)=C1	REAL300000367852	0	44	-2.0	-105.85	389.06	7.10	-98.75
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(=O)OC)=C1	REAL300000367853	0	37	-2.0	-101.59	360.96	6.27	-95.32
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC)C=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000367854	0	43	-2.0	-105.93	379.19	7.19	-98.74
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000367857	1	39	-2.0	-126.72	355.14	4.95	-121.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)=O)=C1C	REAL300000367858	0	43	-2.0	-131.27	382.19	4.86	-126.41
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000367859	1	43	-2.0	-102.88	388.29	6.17	-96.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2C)=C1C	REAL300000367861	1	45	-2.0	-128.29	388.14	6.28	-122.01
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000367862	0	39	-2.0	-122.95	360.51	5.02	-117.93
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000367863	1	45	-2.0	-101.88	400.41	6.46	-95.42
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000367864	0	36	-2.0	-120.41	347.25	4.07	-116.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)=O)=C1C	REAL300000367865	1	42	-2.0	-126.32	369.50	5.84	-120.48
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000367867	1	40	-2.0	-124.66	360.71	4.40	-120.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2C)=C1	REAL300000367869	0	39	-2.0	-105.65	365.94	4.56	-101.09
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000367871	0	36	-2.0	-121.96	346.79	3.98	-117.98
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)=O)=C1C	REAL300000367873	1	45	-2.0	-123.93	383.68	6.77	-117.16
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2C)C=C(C(=O)[O-])O1	REAL300000367874	0	39	-2.0	-110.19	359.90	4.01	-106.18
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2C)=C1	REAL300000367875	0	43	-2.0	-125.75	383.05	4.15	-121.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)=O)=C1C	REAL300000367876	1	42	-2.0	-116.58	375.76	5.78	-110.80
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2C)C=C(C(=O)[O-])S1	REAL300000367877	1	39	-2.0	-122.38	363.76	4.94	-117.44
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000367878	1	39	-2.0	-102.36	361.34	4.92	-97.44
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000367879	0	36	-2.0	-104.47	349.08	4.01	-100.46
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000367880	1	39	-2.0	-115.33	360.48	5.12	-110.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2C)=C1F	REAL300000367881	0	42	-2.0	-124.55	380.78	5.65	-118.90
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000367882	0	39	-2.0	-111.88	360.50	5.03	-106.85
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000367883	0	40	-2.0	-124.66	364.75	2.67	-121.99
CC1=C(CS(C)=O)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000367883	1	40	-2.0	-118.64	357.75	3.61	-115.03
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000367884	1	42	-2.0	-105.99	379.01	5.65	-100.34
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000367885	1	42	-2.0	-121.31	364.10	5.70	-115.61
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2C)C=C1C(=O)[O-]	REAL300000367890	0	42	-2.0	-124.29	376.51	5.56	-118.73
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2C)=C1	REAL300000367891	0	42	-2.0	-130.46	380.07	5.65	-124.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2C)C=C1C(=O)[O-]	REAL300000367893	1	43	-2.0	-126.00	382.01	5.26	-120.74
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000367896	0	39	-2.0	-129.49	358.67	4.98	-124.51
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2C)C=C1C(=O)[O-]	REAL300000367897	1	42	-2.0	-118.03	375.23	5.63	-112.40
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000367898	0	38	-2.0	-121.98	351.05	3.12	-118.86
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)=O)=C1C	REAL300000367899	0	43	-2.0	-116.72	383.24	4.75	-111.97
CC1=C(CS(C)=O)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000367900	0	36	-2.0	-103.51	357.00	3.85	-99.66
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)=O)=C2C)C=C(C(=O)[O-])O1	REAL300000367901	0	42	-2.0	-110.26	377.03	4.80	-105.46
CC1=NOC(COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)=N1	REAL300000367904	0	37	-2.0	-101.15	361.73	2.88	-98.27
CC1=NOC(COC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000367905	1	41	-2.0	-105.21	375.19	3.22	-101.99
CC1=NOC(COC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)=N1	REAL300000367906	1	37	-2.0	-102.53	360.19	2.90	-99.63
CC1=NOC(COC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)=N1	REAL300000367907	0	40	-2.0	-100.96	371.55	3.00	-97.96
CC1=NOC(COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)=N1	REAL300000367908	0	37	-2.0	-96.28	360.82	2.99	-93.29
CC1=NOC(COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=N1	REAL300000367909	0	39	-2.0	-104.31	364.75	1.98	-102.33
CC1=CC=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=N2)=C1C	REAL300000367910	1	44	-2.0	-95.61	389.79	6.51	-89.10
CC1=CC=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=N2)=C1C	REAL300000367911	0	44	-2.0	-107.97	389.82	6.48	-101.49
CC1=CC=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=N2)=C1C	REAL300000367912	0	43	-2.0	-105.51	386.01	4.61	-100.90
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1N1C(=O)CCC1=O	REAL300000367913	1	41	-2.0	-108.31	371.68	6.66	-101.65
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1N1C(=O)CCC1=O	REAL300000367914	1	41	-2.0	-121.35	371.67	6.65	-114.70
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1N1C(=O)CCC1=O	REAL300000367915	0	38	-2.0	-115.35	364.90	5.68	-109.67
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1N1C(=O)CCC1=O	REAL300000367916	0	42	-2.0	-119.56	378.34	6.00	-113.56
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1N1C(=O)CCC1=O	REAL300000367917	0	38	-2.0	-116.90	363.34	5.69	-111.21
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000367918	0	41	-2.0	-114.76	374.73	5.80	-108.96
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1N1C(=O)CCC1=O	REAL300000367919	0	38	-2.0	-110.07	363.98	5.79	-104.28
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1N1C(=O)CCC1=O	REAL300000367920	0	40	-2.0	-119.05	367.94	4.80	-114.25
CC(C)OC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000367922	1	45	-2.0	-107.46	400.81	5.06	-102.40
CC(C)OC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000367923	0	42	-2.0	-101.85	393.98	4.09	-97.76
CC(C)OC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000367924	1	46	-2.0	-105.94	407.45	4.43	-101.51
CC(C)OC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000367925	0	42	-2.0	-103.27	392.45	4.10	-99.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(CNC(=O)OC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000367926	0	45	-2.0	-101.78	403.83	4.21	-97.57
CC(C)OC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000367927	0	42	-2.0	-96.65	393.05	4.19	-92.46
CC(C)OC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000367928	0	44	-2.0	-105.18	397.01	3.19	-101.99
CC(OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300000367929	0	45	-2.0	-103.84	393.37	8.97	-94.87
CC(OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000367930	0	45	-2.0	-117.51	393.38	8.96	-108.55
CC(OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=CC=C1	REAL300000367931	0	44	-2.0	-114.96	389.60	7.07	-107.89
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000367932	1	34	-2.0	-100.67	337.34	6.09	-94.58
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300000367933	1	34	-2.0	-91.06	332.78	6.07	-84.99
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000367934	1	34	-2.0	-102.92	332.79	6.06	-96.86
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1Cl	REAL300000367935	0	38	-2.0	-103.98	360.94	5.87	-98.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1Cl	REAL300000367936	1	38	-2.0	-91.05	364.25	7.35	-83.70
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000367937	1	37	-2.0	-105.16	352.86	6.71	-98.45
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1Cl	REAL300000367938	1	40	-2.0	-101.96	365.47	7.41	-94.55
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000367939	0	34	-2.0	-100.45	338.21	6.12	-94.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300000367940	1	40	-2.0	-90.16	376.37	7.65	-82.51
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000367941	0	31	-2.0	-97.41	325.98	5.08	-92.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1Cl	REAL300000367942	1	37	-2.0	-100.06	348.23	6.85	-93.21
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1Cl	REAL300000367943	1	38	-2.0	-89.68	363.87	6.34	-83.34
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000367944	0	35	-2.0	-101.22	339.44	5.41	-95.81
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1Cl	REAL300000367945	1	38	-2.0	-105.27	356.94	4.87	-100.40
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1Cl	REAL300000367946	0	34	-2.0	-90.33	341.91	5.75	-84.58
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1Cl	REAL300000367947	1	40	-2.0	-101.37	363.86	7.41	-93.96
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000367948	0	31	-2.0	-98.71	324.39	5.10	-93.61
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1Cl	REAL300000367949	1	38	-2.0	-108.69	360.07	6.13	-102.56
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC)C(Cl)=C1	REAL300000367950	1	40	-2.0	-103.69	362.88	7.78	-95.91
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000367951	0	34	-2.0	-97.76	335.74	5.20	-92.56
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000367952	0	38	-2.0	-100.69	361.78	5.15	-95.54
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300000367953	0	34	-2.0	-101.38	341.39	5.96	-95.42
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000367954	1	34	-2.0	-90.78	337.32	6.10	-84.68
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000367955	0	31	-2.0	-92.56	325.06	5.19	-87.37
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000367956	0	34	-2.0	-94.02	339.20	6.13	-87.89
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000367957	0	34	-2.0	-90.12	338.25	6.13	-83.99
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000367958	0	35	-2.0	-104.05	342.51	3.77	-100.28
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000367959	1	37	-2.0	-94.33	354.97	6.84	-87.49
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000367960	1	37	-2.0	-98.59	342.80	6.69	-91.90
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000367961	1	37	-2.0	-91.66	348.21	6.84	-84.82
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000367962	1	40	-2.0	-105.58	365.68	7.13	-98.45
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1Cl	REAL300000367963	1	40	-2.0	-100.27	367.27	7.46	-92.81
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000367964	1	40	-2.0	-104.50	367.03	7.25	-97.25
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000367965	0	38	-2.0	-102.34	360.76	6.28	-96.06
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1Cl	REAL300000367966	1	37	-2.0	-91.06	348.80	6.60	-84.46
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000367967	0	34	-2.0	-103.68	336.45	6.09	-97.59
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000367968	0	33	-2.0	-95.93	329.78	4.12	-91.81
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1Cl	REAL300000367969	0	38	-2.0	-91.65	361.00	5.86	-85.79
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000367970	0	31	-2.0	-91.46	332.88	5.04	-86.42
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000367971	0	37	-2.0	-97.84	354.87	6.05	-91.79
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1	REAL300000367972	0	38	-2.0	-88.60	361.52	2.48	-86.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CC=C1F	REAL300000367973	0	31	-2.0	-104.43	309.58	3.93	-100.50
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)F)N=C1	REAL300000367974	0	39	-2.0	-105.93	364.66	4.99	-100.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1	REAL300000367975	0	31	-2.0	-93.75	306.18	3.86	-89.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1	REAL300000367976	0	31	-2.0	-106.70	305.05	3.90	-102.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)F)N=C1	REAL300000367977	0	35	-2.0	-110.97	334.34	3.66	-107.31
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1	REAL300000367978	0	35	-2.0	-93.36	337.66	5.14	-88.22
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000367979	0	34	-2.0	-107.46	321.06	4.42	-103.04
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1	REAL300000367980	0	31	-2.0	-101.52	319.27	4.43	-97.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CC=C1Cl	REAL300000367981	0	31	-2.0	-101.30	318.70	4.25	-97.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1C	REAL300000367982	0	37	-2.0	-108.60	338.59	5.17	-103.43
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1	REAL300000367983	0	31	-2.0	-102.90	311.67	3.91	-98.99
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1	REAL300000367984	0	37	-2.0	-92.60	349.77	5.44	-87.16
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1	REAL300000367985	0	28	-2.0	-100.95	298.23	2.92	-98.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)F)N=C1	REAL300000367986	0	34	-2.0	-106.69	321.62	4.64	-102.05
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1	REAL300000367987	0	35	-2.0	-92.07	337.28	4.13	-87.94
CN1C=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000367988	0	32	-2.0	-105.20	311.69	3.25	-101.95
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)F)N=C1	REAL300000367989	0	35	-2.0	-109.40	328.83	2.74	-106.66
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1	REAL300000367990	0	31	-2.0	-97.25	314.16	3.57	-93.68
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000367991	0	37	-2.0	-107.87	337.65	5.17	-102.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CS1	REAL300000367992	0	28	-2.0	-101.03	297.84	2.89	-98.14
COC1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000367993	0	39	-2.0	-106.53	364.50	3.67	-102.86
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000367994	0	35	-2.0	-112.53	332.34	3.97	-108.56
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1	REAL300000367995	0	41	-2.0	-112.35	360.31	6.52	-105.83
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)F)N=C1	REAL300000367996	0	40	-2.0	-108.76	360.10	5.86	-102.90
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)F)N=C1	REAL300000367997	0	37	-2.0	-105.27	336.37	5.58	-99.69
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)F)N=C1	REAL300000367998	0	38	-2.0	-110.83	356.62	4.43	-106.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CC(C(=O)[O-])=C1	REAL300000367999	0	33	-3.0	-179.81	333.47	4.46	-175.35
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1	REAL300000368000	0	38	-2.0	-112.64	349.30	5.79	-106.85
CC1=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000368001	0	31	-2.0	-100.09	309.20	3.00	-97.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CC2=C1OCCO2	REAL300000368002	0	37	-2.0	-111.42	347.21	3.67	-107.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1	REAL300000368003	0	35	-2.0	-106.35	333.97	2.99	-103.36
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN(CC(F)F)N=C3)C=C2C1	REAL300000368004	0	39	-2.0	-94.15	358.69	4.51	-89.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C(Cl)C=C1F	REAL300000368005	0	31	-2.0	-98.47	323.78	4.45	-94.02
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1Cl	REAL300000368006	0	35	-2.0	-91.71	352.15	4.71	-87.00
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CC=C1OCC(=O)[O-]	REAL300000368007	0	38	-2.0	-93.53	356.20	4.88	-88.65
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)F)N=C1	REAL300000368008	0	34	-2.0	-97.58	326.90	4.68	-92.90
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1F	REAL300000368009	0	35	-2.0	-92.76	342.34	4.24	-88.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000368010	0	38	-2.0	-112.86	354.18	4.87	-107.99
CC1=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C(C(=O)[O-])S1	REAL300000368011	0	31	-2.0	-103.19	315.89	3.74	-99.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C(Cl)=C1	REAL300000368012	0	31	-2.0	-92.15	318.10	4.46	-87.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1F	REAL300000368013	0	31	-2.0	-94.26	309.57	3.94	-90.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)S1	REAL300000368014	0	28	-2.0	-95.23	298.46	2.98	-92.25
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1	REAL300000368015	0	31	-2.0	-97.77	311.45	3.97	-93.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1F	REAL300000368016	0	34	-2.0	-105.73	330.81	4.60	-101.13
COC1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000368017	0	35	-2.0	-96.89	345.36	4.53	-92.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C(F)=C1	REAL300000368018	0	31	-2.0	-92.99	311.66	3.93	-89.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1Cl	REAL300000368019	0	31	-2.0	-91.31	318.69	4.25	-87.06
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)F)N=C1	REAL300000368020	0	34	-2.0	-100.91	334.49	5.10	-95.81
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1	REAL300000368021	0	39	-2.0	-90.38	369.94	5.26	-85.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CC(F)=C1F	REAL300000368022	0	31	-2.0	-94.84	317.02	3.94	-90.90
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1	REAL300000368023	0	33	-2.0	-90.85	334.38	4.53	-86.32
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1	REAL300000368024	0	32	-2.0	-106.01	315.91	1.58	-104.43
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1	REAL300000368025	0	34	-2.0	-97.35	328.37	4.63	-92.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CC(Cl)=C1F	REAL300000368026	0	31	-2.0	-96.28	326.91	4.38	-91.90
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC(F)F)N=C1	REAL300000368027	0	34	-2.0	-101.90	316.24	4.49	-97.41
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CC(C(=O)[O-])=C1F	REAL300000368028	0	34	-2.0	-104.32	331.03	4.50	-99.82
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(F)F)N=C1	REAL300000368029	0	34	-2.0	-95.19	320.46	4.67	-90.52
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CC(C(=O)[O-])=C1C	REAL300000368030	0	37	-2.0	-110.66	341.85	5.06	-105.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CC=C1[N+](=O)[O-]	REAL300000368031	0	33	-2.0	-103.98	332.77	4.95	-99.03
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1	REAL300000368032	0	31	-2.0	-94.68	317.95	3.98	-90.70
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C(C)=C1C(=O)[O-]	REAL300000368033	0	37	-2.0	-106.43	338.44	5.31	-101.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000368034	0	34	-2.0	-106.52	330.36	4.59	-101.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1Cl	REAL300000368035	0	34	-2.0	-104.76	336.81	5.04	-99.72
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1	REAL300000368036	0	34	-2.0	-110.03	330.09	4.58	-105.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000368037	0	37	-2.0	-108.17	339.01	5.08	-103.09
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1CC(=O)[O-]	REAL300000368038	0	38	-2.0	-108.05	355.53	4.02	-104.03
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(CC(F)F)N=C1	REAL300000368039	0	34	-2.0	-95.37	332.45	5.03	-90.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1C(F)(F)F	REAL300000368040	0	34	-2.0	-91.30	335.17	4.70	-86.60
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000368041	0	34	-2.0	-104.40	336.27	4.85	-99.55
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000368042	0	35	-2.0	-105.19	334.21	4.08	-101.11
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C(C)=C1CC(=O)[O-]	REAL300000368043	0	43	-2.0	-105.62	371.34	6.73	-98.89
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000368044	0	34	-2.0	-100.54	339.94	4.92	-95.62
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C(C(=O)[O-])S1	REAL300000368045	0	40	-2.0	-104.79	354.50	6.02	-98.77
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000368046	0	35	-2.0	-108.60	345.37	4.54	-104.06
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000368047	0	34	-2.0	-94.75	321.06	4.43	-90.32
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C([N+](=O)[O-])=C1	REAL300000368048	0	36	-2.0	-97.65	346.91	6.03	-91.62
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)F)N=C1	REAL300000368049	0	34	-2.0	-104.56	325.73	4.69	-99.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1[N+](=O)[O-]	REAL300000368050	0	33	-2.0	-112.29	328.78	5.75	-106.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1F	REAL300000368051	0	31	-2.0	-109.28	308.71	3.92	-105.36
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000368052	0	34	-2.0	-99.14	329.99	4.57	-94.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=CC2=CC=CC=C21	REAL300000368053	0	37	-2.0	-114.13	347.24	5.98	-108.15
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C1	REAL300000368054	0	30	-2.0	-104.65	302.03	1.96	-102.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(F)F)N=C1	REAL300000368055	0	35	-2.0	-97.78	334.39	3.66	-94.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)=C(Cl)O1	REAL300000368056	0	28	-2.0	-93.87	306.34	2.83	-91.04
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(CC(F)F)N=C3)C=C2)CC1	REAL300000368057	0	38	-2.0	-98.97	350.17	5.68	-93.29
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(CC(F)F)N=C3)C=C2C1	REAL300000368058	0	38	-2.0	-103.18	350.48	5.78	-97.40
CCC1=C(S(=O)(=O)[N-]C2=CN(CC(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000368059	0	34	-2.0	-100.05	328.32	3.85	-96.20
CC1=C(CS(C)(=O)=O)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000368061	1	40	-2.0	-124.76	363.32	3.95	-120.81
CC1=C(CS(C)(=O)=O)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000368063	0	37	-2.0	-116.40	357.36	2.92	-113.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CS(C)(=O)=O)=C1C	REAL300000368064	1	43	-2.0	-122.73	379.63	4.68	-118.05
CC1=C(CS(C)(=O)=O)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000368065	1	41	-2.0	-120.45	370.82	3.24	-117.21
CC1=C(CS(C)(=O)=O)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000368066	0	37	-2.0	-119.94	355.94	2.92	-117.02
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CS(C)(=O)=O)=C2C)C=C(C(=O)[O-])O1	REAL300000368067	0	40	-2.0	-115.69	367.17	3.05	-112.64
CC1=C(CS(C)(=O)=O)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000368068	0	37	-2.0	-111.45	355.53	3.09	-108.36
CC1=C(CS(C)(=O)=O)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000368069	0	41	-2.0	-121.86	373.90	1.60	-120.26
CC1=C(CS(C)(=O)=O)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000368069	1	41	-2.0	-124.50	367.78	2.46	-122.04
CC1=C(CS(C)(=O)=O)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000368070	1	43	-2.0	-114.01	386.47	4.67	-109.34
CC1=C(CS(C)(=O)=O)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000368071	1	43	-2.0	-117.82	373.30	4.59	-113.23
CC1=C(CS(C)(=O)=O)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000368074	0	39	-2.0	-120.22	359.47	2.07	-118.15
CC1=CC=C(COC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)C=C1	REAL300000368075	1	45	-2.0	-98.01	398.31	8.97	-89.04
CC1=CC=C(COC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300000368076	1	45	-2.0	-110.66	398.34	8.97	-101.69
CC1=CC=C(COC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)C=C1	REAL300000368077	0	44	-2.0	-106.98	395.32	7.01	-99.97
COCCS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000368079	1	43	-2.0	-113.40	396.47	4.21	-109.19
COCCS(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000368080	0	42	-2.0	-110.87	392.68	2.35	-108.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)(F)F)C=C1	REAL300000368081	0	35	-2.0	-93.42	342.75	5.82	-87.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)(F)F)=C1	REAL300000368082	0	35	-2.0	-105.33	342.76	5.80	-99.53
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)(F)F)=C1	REAL300000368083	0	32	-2.0	-99.96	335.95	4.83	-95.13
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)(F)F)C=C1C(=O)[O-]	REAL300000368084	0	36	-2.0	-103.89	349.41	5.16	-98.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)(F)F)=CS1	REAL300000368085	0	32	-2.0	-101.23	334.41	4.84	-96.39
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CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CC2=C1	REAL300000368144	1	36	-2.0	-99.23	317.81	4.09	-95.14
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CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CC3=C2)=C1	REAL300000368153	0	36	-2.0	-107.53	332.75	4.15	-103.38
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CC2=C1	REAL300000368156	1	36	-2.0	-92.65	334.53	4.60	-88.05
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000368157	1	36	-2.0	-100.88	338.96	4.40	-96.48
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CC3=C2)C=C1C(=O)[O-]	REAL300000368158	1	37	-2.0	-102.95	335.77	3.67	-99.28
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CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CC3=C2)C=C(C(=O)[O-])S1	REAL300000368161	1	42	-2.0	-100.78	357.20	5.59	-95.19
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CC3=C2)C=C1C(=O)[O-]	REAL300000368162	1	37	-2.0	-104.60	348.06	4.08	-100.52
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COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CC2=C1	REAL300000368171	0	37	-2.0	-95.36	335.94	3.25	-92.11
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CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C2O1	REAL300000368228	0	37	-2.0	-108.16	325.30	5.12	-103.04
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000368263	1	42	-2.0	-89.69	383.81	5.46	-84.23
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000368264	1	35	-2.0	-106.25	331.87	6.90	-99.35
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000368265	0	43	-2.0	-106.87	386.95	7.97	-98.90
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000368266	1	35	-2.0	-96.20	327.32	6.88	-89.32
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000368267	1	35	-2.0	-108.81	327.33	6.87	-101.94
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000368268	0	39	-2.0	-113.88	355.47	6.67	-107.21
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000368269	1	39	-2.0	-95.61	358.80	8.16	-87.45
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000368270	1	38	-2.0	-109.96	343.35	7.40	-102.56
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000368271	0	35	-2.0	-103.91	340.40	7.44	-96.47
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000368272	1	35	-2.0	-104.59	339.85	7.26	-97.33
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000368273	1	41	-2.0	-111.31	360.01	8.22	-103.09
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000368274	0	35	-2.0	-105.70	332.81	6.93	-98.77
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000368275	1	41	-2.0	-94.84	370.92	8.45	-86.39
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000368276	0	32	-2.0	-103.01	320.51	5.88	-97.13
CCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000368277	1	38	-2.0	-109.22	342.76	7.65	-101.57
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CCSC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000368283	0	32	-2.0	-104.47	318.98	5.90	-98.57
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CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=NC=C2)C=C1	REAL300000368366	0	43	-2.0	-121.66	377.68	7.38	-114.28
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CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=NC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000368371	0	34	-2.0	-111.58	326.79	4.53	-107.05
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C3=CC=NC=C3)C=C2)=C1	REAL300000368372	0	38	-2.0	-118.00	352.70	4.48	-113.52
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CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=NC=C2)C=C1	REAL300000368374	0	37	-2.0	-109.34	344.49	6.20	-103.14
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CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300000368376	0	41	-2.0	-124.08	372.92	6.36	-117.72
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CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000368419	0	41	-2.0	-101.66	345.81	6.19	-95.47
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000368420	0	41	-2.0	-114.89	345.83	6.17	-108.72
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CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000368422	0	45	-2.0	-100.53	377.27	7.48	-93.05
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CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000368424	0	41	-2.0	-109.76	358.90	6.77	-102.99
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000368425	0	41	-2.0	-110.49	358.33	6.58	-103.91
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CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000368427	0	41	-2.0	-112.06	351.30	6.24	-105.82
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000368428	0	47	-2.0	-99.96	389.39	7.77	-92.19
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000368429	0	38	-2.0	-108.90	339.01	5.21	-103.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)(C)C	REAL300000368430	0	44	-2.0	-114.92	361.26	6.97	-107.95
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000368431	0	45	-2.0	-99.33	376.89	6.46	-92.87
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CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)=C1	REAL300000368434	0	41	-2.0	-104.95	354.96	5.87	-99.08
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000368435	0	47	-2.0	-116.65	377.74	7.52	-109.13
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000368436	0	38	-2.0	-110.35	337.48	5.22	-105.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000368437	0	45	-2.0	-120.78	373.13	6.25	-114.53
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)(C)C	REAL300000368438	0	50	-2.0	-117.26	399.72	8.21	-109.05
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)(C)C	REAL300000368439	0	47	-2.0	-112.52	375.96	7.91	-104.61
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)(C)C	REAL300000368440	0	48	-2.0	-121.12	396.26	6.74	-114.38
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000368441	0	43	-3.0	-193.06	374.81	6.77	-186.29
CC(C)(C)OC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000368441	1	44	-2.0	-110.35	372.70	6.58	-103.77
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000368442	0	48	-2.0	-119.66	390.07	8.08	-111.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)C=C(C(=O)[O-])O1	REAL300000368443	0	41	-2.0	-107.89	348.83	5.32	-102.57
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)=C1	REAL300000368444	0	45	-2.0	-115.68	374.82	5.27	-110.41
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)=CC=C1OCC(=O)[O-]	REAL300000368445	0	48	-2.0	-99.86	396.99	7.17	-92.69
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)(C)C	REAL300000368446	0	44	-2.0	-105.36	366.54	7.00	-98.36
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000368447	0	45	-2.0	-98.56	383.12	6.52	-92.04
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000368448	0	48	-2.0	-121.34	394.96	7.16	-114.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)C=C(C(=O)[O-])S1	REAL300000368449	0	41	-2.0	-111.27	354.45	6.08	-105.19
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000368450	0	41	-2.0	-98.89	358.88	6.76	-92.13
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000368451	0	41	-2.0	-100.89	350.34	6.23	-94.66
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000368452	0	38	-2.0	-103.62	338.10	5.31	-98.31
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000368453	0	41	-2.0	-105.47	352.23	6.24	-99.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)=C1F	REAL300000368454	0	44	-2.0	-113.66	371.57	6.88	-106.78
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000368455	0	41	-2.0	-101.35	351.29	6.26	-95.09
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000368456	0	41	-2.0	-99.08	358.31	6.59	-92.49
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)(C)C	REAL300000368457	0	44	-2.0	-107.05	375.28	7.39	-99.66
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000368458	0	41	-2.0	-103.21	356.64	6.28	-96.93
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000368459	0	43	-2.0	-99.76	374.60	6.87	-92.89
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000368460	0	42	-2.0	-113.52	355.55	3.90	-109.62
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000368461	0	44	-2.0	-105.24	367.99	6.96	-98.28
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)(C)C	REAL300000368462	0	44	-2.0	-111.46	356.32	6.83	-104.63
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)=CC(C(=O)[O-])=C1F	REAL300000368463	0	44	-2.0	-113.39	370.66	6.84	-106.55
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)(C)C	REAL300000368464	0	44	-2.0	-101.38	361.24	6.95	-94.43
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)=CC(C(=O)[O-])=C1C	REAL300000368465	0	47	-2.0	-118.60	378.96	7.28	-111.32
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000368466	0	43	-2.0	-112.66	372.71	7.22	-105.44
CC(C)(C)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000368467	0	41	-2.0	-103.51	357.56	6.31	-97.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)C(C)=C1C(=O)[O-]	REAL300000368468	0	47	-2.0	-115.60	379.52	7.61	-107.99
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000368469	0	44	-2.0	-114.99	371.53	6.92	-108.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)=C1Cl	REAL300000368470	0	44	-2.0	-111.70	377.61	7.32	-104.38
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)=C1	REAL300000368471	0	44	-2.0	-120.55	370.84	6.88	-113.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000368472	0	47	-2.0	-116.92	379.98	7.37	-109.55
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)C=C1CC(=O)[O-]	REAL300000368473	0	48	-2.0	-117.68	396.29	6.31	-111.37
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)(C)C	REAL300000368474	0	44	-2.0	-104.11	372.13	7.37	-96.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)=CC(C(=O)[O-])=C1Cl	REAL300000368475	0	44	-2.0	-112.42	377.05	7.14	-105.28
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000368476	0	45	-2.0	-114.53	373.85	6.40	-108.13
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000368477	0	44	-2.0	-108.38	375.88	7.18	-101.20
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COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000368543	0	37	-2.0	-123.22	333.04	7.18	-116.04
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000368544	1	40	-2.0	-105.08	364.49	7.38	-97.70
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COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000368546	1	37	-2.0	-106.94	343.36	6.52	-100.42
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CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000368549	1	43	-2.0	-110.54	366.53	8.37	-102.17
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COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1OC	REAL300000368659	0	39	-2.0	-111.71	352.05	5.05	-106.66
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COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000368666	0	37	-2.0	-112.15	355.70	7.01	-105.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1Cl	REAL300000368668	1	35	-2.0	-107.58	333.37	5.64	-101.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1F	REAL300000368669	1	35	-2.0	-107.60	323.57	5.15	-102.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1C(N)=O	REAL300000368672	1	38	-2.0	-105.65	338.45	3.23	-102.42
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CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C2=CC=CC=C12	REAL300000368674	1	47	-2.0	-116.42	396.99	9.01	-107.41
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CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CN1C	REAL300000368677	0	39	-2.0	-109.20	352.04	3.44	-105.76
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000368678	1	34	-2.0	-106.46	320.06	7.07	-99.39
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)C=N2)C=C1	REAL300000368680	0	41	-2.0	-108.36	369.81	7.59	-100.77
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CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000368685	0	33	-3.0	-170.36	325.42	6.02	-164.34
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CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CC=C1F	REAL300000368849	1	38	-2.0	-119.84	349.05	4.79	-115.05
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CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000368893	1	45	-2.0	-108.14	380.66	7.85	-100.29
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COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CN1	REAL300000368895	0	35	-2.0	-109.80	331.25	4.14	-105.66
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CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000368898	1	34	-2.0	-107.35	308.65	6.59	-100.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1Br	REAL300000368899	1	34	-2.0	-108.04	327.35	6.98	-101.06
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COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CC=C1F	REAL300000368902	1	37	-2.0	-103.45	347.18	6.47	-96.98
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COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000368922	1	43	-2.0	-112.70	375.03	7.75	-104.95
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C(F)C=C1F	REAL300000368924	0	34	-2.0	-107.77	320.06	6.55	-101.22
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COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)S1	REAL300000368930	0	38	-2.0	-110.84	365.69	4.88	-105.96
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COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000368934	0	36	-2.0	-113.20	345.80	5.81	-107.39
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CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1Cl	REAL300000368936	1	38	-2.0	-110.56	358.00	5.30	-105.26
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)O1	REAL300000368937	0	37	-2.0	-105.28	349.25	5.51	-99.77
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CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000368939	0	36	-2.0	-118.92	341.39	6.75	-112.17
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)=CC=C21	REAL300000368940	1	43	-2.0	-109.74	378.56	7.32	-102.42
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000368941	1	36	-2.0	-99.91	343.59	7.61	-92.30
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COC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)SC=C1	REAL300000368943	0	32	-2.0	-118.56	310.01	4.07	-114.49
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000368944	1	40	-2.0	-119.40	370.02	4.20	-115.20
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300000368945	0	37	-2.0	-110.49	342.84	6.98	-103.51
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CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)C=CC=C2C=C1	REAL300000368947	0	39	-2.0	-129.87	349.35	7.02	-122.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C2=CC(Cl)=CC=C2S1	REAL300000368948	0	37	-2.0	-111.09	355.53	8.70	-102.39
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)C=C21	REAL300000368949	1	42	-2.0	-106.07	371.14	5.29	-100.78
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C(Br)S1	REAL300000368950	0	31	-2.0	-102.48	317.75	6.29	-96.19
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COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CC(F)=C1F	REAL300000368952	1	37	-2.0	-98.32	353.46	6.53	-91.79
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)SC2=CC=CC(F)=C12	REAL300000368953	0	37	-2.0	-114.45	347.81	7.81	-106.64
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CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1F	REAL300000368955	0	36	-2.0	-108.00	341.87	7.17	-100.83
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000368956	0	33	-2.0	-116.39	321.09	4.53	-111.86
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)C=NC2=C1Cl	REAL300000368958	0	36	-2.0	-100.19	348.83	5.74	-94.45
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CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000368961	0	31	-2.0	-99.74	302.81	4.74	-95.00
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COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000368963	1	39	-2.0	-113.96	346.83	4.40	-109.56
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CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)S1	REAL300000368969	0	30	-2.0	-106.57	296.37	3.62	-102.95
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COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300000368994	0	36	-2.0	-102.16	338.58	4.62	-97.54
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CC1=CC=C(S(=O)(=O)NC2=CC=CC(CC(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000368996	0	40	-2.0	-108.03	351.88	7.76	-100.27
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CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000368998	0	36	-3.0	-178.47	341.62	7.04	-171.43
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CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1Cl	REAL300000368999	0	36	-3.0	-175.54	348.07	7.49	-168.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(CC(=O)[O-])=C2)=C1Cl	REAL300000368999	1	37	-2.0	-97.44	350.72	7.46	-89.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369000	0	36	-3.0	-191.92	341.34	7.04	-184.88
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CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369002	1	39	-2.0	-119.94	350.93	7.05	-112.89
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CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300000369004	0	36	-2.0	-118.19	338.16	6.62	-111.57
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)=C1	REAL300000369005	0	31	-2.0	-105.82	310.73	6.56	-99.26
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1Br	REAL300000369006	0	34	-2.0	-112.38	322.55	7.06	-105.32
CCC1=CC=C(S(=O)(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000369007	0	40	-2.0	-110.02	357.12	7.40	-102.62
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CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1C#N	REAL300000369011	0	35	-2.0	-121.48	325.10	6.59	-114.89
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CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300000369013	0	37	-2.0	-94.05	338.63	6.26	-87.79
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)S1	REAL300000369014	0	40	-2.0	-110.90	360.84	7.44	-103.46
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369015	0	37	-2.0	-118.37	335.17	6.54	-111.83
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300000369016	0	39	-2.0	-105.86	345.89	3.54	-102.32
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369018	0	39	-2.0	-109.65	361.27	7.85	-101.80
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1F	REAL300000369019	0	34	-2.0	-117.40	313.64	6.50	-110.90
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300000369020	0	37	-2.0	-104.10	336.89	3.41	-100.69
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COC1=CC=C(S(=O)(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1CC(=O)[O-]	REAL300000369022	0	41	-2.0	-111.24	373.41	6.35	-104.89
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000369023	1	38	-2.0	-110.58	342.93	5.51	-105.07
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369024	0	36	-2.0	-112.81	327.11	2.78	-110.03
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CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369030	1	40	-2.0	-106.34	370.90	7.43	-98.91
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369031	1	38	-2.0	-109.78	334.44	5.81	-103.97
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CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C2=CC=CC=C12	REAL300000369038	1	44	-2.0	-124.76	381.00	7.12	-117.64
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COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369040	0	37	-2.0	-115.15	339.48	7.24	-107.91
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1	REAL300000369041	0	33	-2.0	-96.69	320.59	6.47	-90.22
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300000369042	0	37	-2.0	-94.85	342.49	7.09	-87.76
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369042	1	36	-3.0	-173.39	343.09	7.50	-165.89
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COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C(C)O1	REAL300000369044	0	37	-2.0	-103.35	345.71	5.35	-98.00
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CC1=CC(S(=O)(=O)NC2=CC=CC(CC(=O)[O-])=C2)=CC(C(=O)[O-])=C1Cl	REAL300000369046	0	37	-2.0	-97.61	353.99	7.18	-90.43
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CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)N=C1C	REAL300000369047	0	37	-2.0	-122.03	333.62	5.56	-116.47
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369048	0	34	-2.0	-111.75	325.74	7.15	-104.60
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369049	0	34	-2.0	-112.76	322.39	7.01	-105.75
CCN1C=C(S(=O)(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000369050	0	38	-2.0	-108.58	350.94	6.43	-102.15
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000369050	1	37	-3.0	-182.13	344.44	6.56	-175.57
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369051	0	34	-2.0	-108.46	327.73	4.54	-103.92
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369052	0	43	-2.0	-110.18	363.99	6.36	-103.82
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CN1C	REAL300000369053	0	41	-2.0	-111.91	370.88	6.81	-105.10
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369054	1	39	-2.0	-106.53	349.87	7.85	-98.68
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(Cl)=N1	REAL300000369056	0	33	-2.0	-110.50	317.74	5.10	-105.40
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369057	0	36	-2.0	-109.06	336.89	5.98	-103.08
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CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1Cl	REAL300000369059	1	35	-2.0	-107.54	343.06	7.25	-100.29
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)S1	REAL300000369060	0	33	-2.0	-106.26	317.85	4.37	-101.89
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)C=C12	REAL300000369061	0	38	-2.0	-100.85	349.08	3.50	-97.35
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)S1	REAL300000369062	0	33	-2.0	-104.16	327.13	6.17	-97.99
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CN=C1Cl	REAL300000369064	0	34	-2.0	-99.77	328.69	3.75	-96.02
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)=CC=C21	REAL300000369065	1	40	-2.0	-108.15	363.79	6.75	-101.40
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)=C1	REAL300000369066	1	43	-2.0	-109.38	372.05	7.25	-102.13
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000369067	0	33	-2.0	-100.28	322.57	5.02	-95.26
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369068	1	37	-2.0	-106.88	349.03	6.50	-100.38
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(CC(=O)[O-])=C2)C(C)=C1CC(=O)[O-]	REAL300000369069	0	46	-2.0	-102.64	375.56	8.47	-94.17
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=C1	REAL300000369070	0	34	-2.0	-108.08	333.23	3.01	-105.07
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369071	0	46	-2.0	-110.17	380.66	6.80	-103.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(C)=C1F	REAL300000369072	1	38	-2.0	-107.34	337.51	5.92	-101.42
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(Cl)=C1	REAL300000369073	0	32	-2.0	-103.76	321.73	6.74	-97.02
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1	REAL300000369074	0	34	-2.0	-120.27	315.77	6.10	-114.17
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369075	0	36	-2.0	-107.21	337.82	4.64	-102.57
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369076	0	42	-2.0	-119.88	377.98	5.88	-114.00
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1	REAL300000369077	0	28	-2.0	-104.78	292.23	4.50	-100.28
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C(C2=CC=CC=C2)S1	REAL300000369078	0	40	-2.0	-123.73	371.01	7.20	-116.53
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300000369079	0	40	-2.0	-118.96	362.17	4.88	-114.08
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000369080	1	39	-2.0	-106.84	347.16	7.76	-99.08
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369081	0	41	-2.0	-117.99	351.44	7.55	-110.44
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1	REAL300000369082	0	31	-2.0	-107.45	308.92	6.19	-101.26
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369086	1	43	-2.0	-111.93	379.93	8.15	-103.78
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1	REAL300000369087	0	31	-2.0	-103.78	323.02	6.90	-96.88
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369088	0	31	-2.0	-104.29	316.82	6.01	-98.28
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(OC)=C1	REAL300000369089	0	41	-2.0	-112.02	370.84	6.24	-105.78
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1	REAL300000369090	1	34	-2.0	-110.67	320.03	6.65	-104.02
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1	REAL300000369091	0	34	-2.0	-106.52	332.09	6.85	-99.67
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369092	1	34	-2.0	-108.17	330.55	7.06	-101.11
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1	REAL300000369093	0	34	-2.0	-106.66	326.92	4.65	-102.01
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369094	1	35	-2.0	-117.38	323.93	6.85	-110.53
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369095	0	42	-2.0	-133.14	371.32	5.62	-127.52
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000369096	1	34	-2.0	-112.35	333.23	3.01	-109.34
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300000369098	0	39	-2.0	-105.05	357.29	7.08	-97.97
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369099	1	40	-2.0	-113.31	341.85	7.78	-105.53
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(C)=CS1	REAL300000369100	0	37	-2.0	-119.69	343.05	6.96	-112.73
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CC=C1F	REAL300000369101	1	35	-2.0	-103.53	323.58	5.15	-98.38
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1	REAL300000369102	0	30	-2.0	-118.87	300.54	6.18	-112.69
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369103	0	39	-2.0	-116.36	361.25	7.85	-108.51
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)=CN=C21	REAL300000369104	1	36	-2.0	-104.90	332.21	4.91	-99.99
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300000369105	0	30	-2.0	-100.32	309.02	5.55	-94.77
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000369107	1	39	-2.0	-111.01	355.04	4.00	-107.01
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)=C1	REAL300000369108	1	34	-2.0	-101.22	343.31	7.29	-93.93
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369109	0	42	-2.0	-109.89	363.27	4.79	-105.10
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000369110	1	37	-2.0	-98.43	351.32	6.61	-91.82
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300000369111	0	35	-2.0	-112.06	315.83	5.22	-106.84
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369112	0	32	-2.0	-106.46	321.76	6.75	-99.71
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000369113	0	34	-2.0	-107.50	331.80	4.86	-102.64
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369114	1	37	-2.0	-108.98	318.08	7.51	-101.47
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369115	0	39	-2.0	-124.66	341.82	6.30	-118.36
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369117	0	34	-2.0	-116.03	307.44	6.76	-109.27
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369118	1	34	-2.0	-103.87	324.62	7.17	-96.70
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)=C1	REAL300000369119	0	35	-2.0	-125.70	326.24	5.87	-119.83
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369120	0	44	-2.0	-108.54	378.94	7.29	-101.25
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)=C1	REAL300000369121	0	31	-2.0	-108.21	314.64	6.48	-101.73
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)C=CC=C12	REAL300000369122	0	39	-2.0	-127.90	345.73	6.97	-120.93
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369124	1	35	-2.0	-113.30	339.09	3.07	-110.23
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1	REAL300000369125	0	32	-2.0	-118.35	312.62	4.09	-114.26
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369126	0	34	-2.0	-107.48	312.44	3.26	-104.22
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)=C1	REAL300000369127	0	31	-2.0	-113.01	313.94	6.46	-106.55
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1OC	REAL300000369128	0	41	-2.0	-106.88	369.93	6.50	-100.38
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369130	0	41	-2.0	-122.29	376.80	3.10	-119.19
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1)OCO2	REAL300000369131	1	37	-2.0	-106.68	328.93	5.24	-101.44
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369132	0	37	-2.0	-109.60	338.22	7.06	-102.54
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000369133	0	37	-2.0	-98.54	352.66	7.42	-91.12
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000369133	1	36	-3.0	-176.44	346.19	7.32	-169.12
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000369134	1	41	-2.0	-111.76	357.12	5.48	-106.28
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369135	0	40	-2.0	-123.98	354.90	8.10	-115.88
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369136	0	39	-2.0	-109.29	345.74	4.13	-105.16
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=C1	REAL300000369137	0	37	-2.0	-117.85	349.06	7.34	-110.51
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)S1	REAL300000369139	0	34	-2.0	-113.27	332.81	3.26	-110.01
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)S1	REAL300000369139	1	33	-3.0	-173.68	329.50	2.14	-171.54
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1F	REAL300000369140	1	38	-2.0	-110.12	349.02	4.82	-105.30
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1OC	REAL300000369141	0	39	-2.0	-108.60	359.65	5.55	-103.05
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000369142	1	35	-2.0	-106.49	333.32	5.43	-101.06
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000369143	1	34	-2.0	-99.31	332.17	6.84	-92.47
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000369144	0	42	-3.0	-173.94	365.77	8.48	-165.46
CC(C)(C)C1=C(S(=O)(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000369144	1	43	-2.0	-105.18	369.14	7.85	-97.33
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300000369145	0	36	-2.0	-113.72	344.62	1.39	-112.33
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369146	1	35	-2.0	-116.31	320.69	7.05	-109.26
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1C	REAL300000369147	1	42	-2.0	-110.22	379.71	2.75	-107.47
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369148	1	35	-2.0	-115.46	330.10	6.94	-108.52
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1	REAL300000369149	0	31	-2.0	-104.99	317.70	6.86	-98.13
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(N)=NO1	REAL300000369151	0	32	-2.0	-99.98	294.28	3.19	-96.79
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1)OCC(=O)N2	REAL300000369152	0	41	-2.0	-113.38	366.81	2.81	-110.57
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=C1	REAL300000369153	0	31	-2.0	-102.69	317.86	7.17	-95.52
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369154	0	35	-2.0	-113.35	332.83	6.10	-107.25
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1	REAL300000369155	0	32	-2.0	-105.05	315.35	4.57	-100.48
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369158	1	38	-2.0	-112.02	332.81	5.85	-106.17
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1Br	REAL300000369159	1	32	-2.0	-99.67	328.35	6.69	-92.98
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)=C1	REAL300000369161	0	33	-2.0	-101.79	337.74	7.03	-94.76
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)S1	REAL300000369162	0	29	-2.0	-101.28	300.34	5.34	-95.94
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)=C1	REAL300000369163	0	33	-2.0	-98.36	333.98	6.90	-91.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300000369164	0	33	-2.0	-108.37	304.45	4.61	-103.76
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1	REAL300000369165	0	36	-2.0	-111.24	329.04	6.15	-105.09
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000369166	0	37	-3.0	-179.01	356.63	6.98	-172.03
COC1=CC(Cl)=C(S(=O)(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000369166	1	38	-2.0	-102.23	359.29	6.96	-95.27
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(F)=C1	REAL300000369167	0	37	-2.0	-110.30	348.09	6.52	-103.78
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1F	REAL300000369168	0	37	-2.0	-105.24	347.16	6.48	-98.76
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369169	0	39	-2.0	-119.06	363.98	7.63	-111.43
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CC=C1C#N	REAL300000369170	1	35	-2.0	-103.00	327.83	6.68	-96.32
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1	REAL300000369171	0	30	-2.0	-96.28	305.58	4.47	-91.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(F)=C1	REAL300000369172	0	35	-2.0	-113.38	322.83	5.15	-108.23
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1[N+](=O)[O-]	REAL300000369173	0	39	-2.0	-121.04	348.64	8.97	-112.07
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000369174	1	37	-2.0	-110.50	348.85	7.56	-102.94
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)=C1	REAL300000369176	0	35	-2.0	-116.11	335.61	6.66	-109.45
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1	REAL300000369177	1	34	-2.0	-108.52	322.03	6.71	-101.81
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000369178	1	41	-2.0	-116.26	362.05	9.19	-107.07
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)N(C)N=C1	REAL300000369180	0	34	-2.0	-103.41	304.72	4.25	-99.16
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369181	0	40	-2.0	-114.66	369.97	7.43	-107.23
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CN1C	REAL300000369182	0	43	-2.0	-111.37	389.85	6.99	-104.38
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)O1	REAL300000369184	0	29	-2.0	-102.75	291.77	4.33	-98.42
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C(F)C=C1C	REAL300000369185	0	43	-2.0	-110.26	385.97	7.96	-102.30
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369186	1	45	-2.0	-119.97	399.39	3.98	-115.99
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369187	0	42	-2.0	-119.74	371.17	5.30	-114.44
CC1=CC(S(=O)(=O)NC2=CC=CC(CC(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000369188	0	37	-2.0	-97.46	334.66	6.84	-90.62
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300000369189	0	34	-2.0	-104.14	315.03	2.47	-101.67
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1	REAL300000369190	0	31	-2.0	-110.39	310.08	6.37	-104.02
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369192	1	42	-2.0	-109.24	365.97	6.90	-102.34
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369193	0	40	-2.0	-112.78	365.37	8.57	-104.21
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369194	0	40	-2.0	-112.42	361.20	8.27	-104.15
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)=C1	REAL300000369195	0	34	-2.0	-108.99	330.44	7.69	-101.30
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C1	REAL300000369196	0	34	-2.0	-112.92	324.41	7.15	-105.77
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369197	1	43	-2.0	-116.46	386.67	8.14	-108.32
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369198	0	37	-2.0	-124.30	344.54	7.87	-116.43
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)N(C)N=C1	REAL300000369199	0	40	-2.0	-111.61	358.94	5.79	-105.82
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369200	0	44	-2.0	-118.39	392.64	7.16	-111.23
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CC=C1C	REAL300000369201	1	43	-2.0	-107.99	380.55	7.89	-100.10
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)=C2O1	REAL300000369202	0	42	-2.0	-123.90	365.57	7.01	-116.89
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000369203	1	35	-2.0	-98.63	344.51	6.96	-91.67
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1	REAL300000369204	0	34	-2.0	-115.68	314.45	4.42	-111.26
N#CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369205	0	32	-2.0	-116.81	325.63	6.57	-110.24
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369206	1	37	-2.0	-102.32	342.06	7.56	-94.76
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369207	1	38	-2.0	-112.58	339.20	6.01	-106.57
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1	REAL300000369208	0	31	-2.0	-112.07	310.20	6.65	-105.42
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)C=C2C=C1	REAL300000369210	1	40	-2.0	-113.64	355.14	8.71	-104.93
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1	REAL300000369211	0	28	-2.0	-108.73	295.82	5.24	-103.49
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369212	1	40	-2.0	-106.03	372.09	7.64	-98.39
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369213	0	31	-2.0	-109.32	301.41	5.45	-103.87
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000369214	1	44	-2.0	-114.38	383.85	6.14	-108.24
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1	REAL300000369215	0	28	-2.0	-106.44	286.14	2.59	-103.85
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=C1	REAL300000369216	0	36	-2.0	-118.60	342.36	6.85	-111.75
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1	REAL300000369217	0	30	-2.0	-106.19	294.77	3.90	-102.29
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369218	1	38	-2.0	-106.60	356.07	6.08	-100.52
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369219	0	40	-2.0	-104.92	352.31	4.84	-100.08
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300000369220	0	40	-2.0	-104.72	357.03	4.34	-100.38
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000369221	0	38	-3.0	-178.97	359.57	8.54	-170.43
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1	REAL300000369224	0	34	-2.0	-107.30	324.03	6.25	-101.05
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1	REAL300000369225	0	34	-2.0	-113.00	339.15	7.84	-105.16
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369226	0	36	-2.0	-119.89	334.85	4.76	-115.13
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369227	0	30	-2.0	-103.62	296.33	4.08	-99.54
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])=C1	REAL300000369228	0	33	-2.0	-105.63	331.52	7.78	-97.85
O=C([O-])CC1=CC=CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1	REAL300000369230	0	35	-2.0	-94.31	335.50	5.31	-89.00
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000369230	1	35	-2.0	-106.36	336.68	4.50	-101.86
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000369231	0	37	-2.0	-104.75	343.78	7.19	-97.56
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)=C1	REAL300000369232	0	33	-2.0	-102.10	336.64	5.58	-96.52
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1	REAL300000369234	1	38	-2.0	-110.71	337.07	7.90	-102.81
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369235	1	40	-2.0	-106.67	381.22	7.87	-98.80
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000369236	0	28	-2.0	-110.94	286.12	4.83	-106.11
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)=CC=C2NC1=O	REAL300000369237	1	40	-2.0	-106.45	359.34	5.54	-100.91
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1	REAL300000369238	0	37	-2.0	-124.50	348.67	4.21	-120.29
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000369239	0	34	-2.0	-111.07	326.48	4.63	-106.44
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000369240	1	40	-2.0	-110.62	352.70	7.39	-103.23
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1F	REAL300000369241	1	32	-2.0	-99.55	314.56	6.22	-93.33
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000369245	0	36	-2.0	-103.36	340.20	7.15	-96.21
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300000369246	0	37	-2.0	-103.86	338.11	7.15	-96.71
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1	REAL300000369247	0	32	-2.0	-110.05	320.73	5.08	-104.97
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000369248	0	35	-3.0	-196.01	340.06	8.21	-187.80
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)=C1	REAL300000369249	0	35	-2.0	-111.64	339.15	5.66	-105.98
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)=CC=C2N=C1Cl	REAL300000369250	1	39	-2.0	-107.01	364.32	7.17	-99.84
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C(F)C=C1C	REAL300000369252	0	40	-2.0	-110.07	364.11	7.05	-103.02
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1	REAL300000369253	0	31	-2.0	-102.01	320.42	5.98	-96.03
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1	REAL300000369254	0	36	-2.0	-115.36	324.84	2.70	-112.66
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)S1	REAL300000369255	0	34	-2.0	-111.31	317.45	6.41	-104.90
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CN=C1C	REAL300000369256	0	39	-2.0	-102.55	354.08	5.13	-97.42
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1	REAL300000369257	0	32	-2.0	-100.21	311.24	4.65	-95.56
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000369258	1	43	-2.0	-113.52	391.53	5.00	-108.52
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369259	0	33	-2.0	-101.11	315.40	5.16	-95.95
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C(Br)N1C	REAL300000369260	0	34	-2.0	-117.59	328.46	5.24	-112.35
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000369261	1	37	-2.0	-103.38	342.29	7.29	-96.09
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369262	1	40	-2.0	-116.79	364.80	7.22	-109.57
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1	REAL300000369263	1	33	-2.0	-100.86	327.60	5.66	-95.20
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=NN1C	REAL300000369267	0	34	-2.0	-107.29	308.50	4.02	-103.27
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000369268	1	35	-2.0	-111.26	318.95	6.88	-104.38
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369269	1	44	-2.0	-121.70	379.99	6.62	-115.08
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369270	0	34	-2.0	-108.79	311.23	4.14	-104.65
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369271	1	38	-2.0	-108.21	359.65	6.01	-102.20
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369272	0	31	-2.0	-101.13	303.72	4.38	-96.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1C(=O)OC(C)C	REAL300000369273	1	46	-2.0	-108.60	400.79	8.61	-99.99
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=C1	REAL300000369275	1	36	-2.0	-107.34	334.28	2.98	-104.36
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1	REAL300000369276	0	31	-2.0	-107.92	303.52	3.31	-104.61
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1	REAL300000369277	0	37	-2.0	-104.90	334.15	5.71	-99.19
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369278	1	44	-2.0	-108.19	397.70	6.15	-102.04
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)C=CC=C12	REAL300000369279	1	45	-2.0	-115.77	382.31	7.95	-107.82
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)=C1	REAL300000369281	1	33	-2.0	-108.51	336.03	5.71	-102.80
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1Cl	REAL300000369282	0	39	-2.0	-112.65	361.59	5.45	-107.20
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1	REAL300000369283	0	39	-2.0	-100.06	358.99	4.35	-95.71
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000369284	1	38	-2.0	-116.93	343.85	5.54	-111.39
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=C1	REAL300000369285	0	34	-2.0	-106.19	325.08	3.36	-102.83
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369286	1	44	-2.0	-110.95	382.15	6.76	-104.19
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CC=C1Cl	REAL300000369287	1	35	-2.0	-104.29	333.39	5.64	-98.65
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)S1	REAL300000369288	0	35	-2.0	-118.96	339.44	2.42	-116.54
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000369289	0	33	-3.0	-190.96	319.92	6.37	-184.59
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1	REAL300000369290	0	28	-2.0	-115.41	288.30	3.73	-111.68
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1	REAL300000369291	0	33	-2.0	-122.09	319.05	5.20	-116.89
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1	REAL300000369292	1	36	-2.0	-113.09	323.67	5.63	-107.46
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1	REAL300000369294	0	37	-2.0	-119.97	338.36	8.10	-111.87
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300000369295	0	34	-2.0	-115.69	328.01	4.86	-110.83
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369296	0	37	-2.0	-118.61	356.23	7.30	-111.31
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369298	0	34	-2.0	-112.18	314.97	7.29	-104.89
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000369299	0	35	-2.0	-107.12	332.25	5.90	-101.22
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1	REAL300000369300	0	36	-2.0	-121.35	324.15	5.60	-115.75
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1F	REAL300000369301	1	40	-2.0	-111.86	370.26	7.27	-104.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C2=CC=CC(C)=C2S1	REAL300000369302	0	40	-2.0	-113.13	359.04	8.81	-104.32
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)=C1	REAL300000369303	0	35	-2.0	-107.52	342.58	6.36	-101.16
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(F)=C1	REAL300000369309	0	34	-2.0	-117.62	317.77	6.73	-110.89
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1	REAL300000369311	0	30	-2.0	-102.89	312.89	4.98	-97.91
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1Br	REAL300000369312	0	31	-2.0	-103.94	311.43	3.94	-100.00
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)=CC=C21	REAL300000369313	1	36	-2.0	-108.84	331.70	4.24	-104.60
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000369315	0	37	-2.0	-97.76	344.12	7.02	-90.74
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000369315	1	36	-3.0	-174.27	337.49	6.91	-167.36
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369317	0	35	-2.0	-113.36	322.51	5.64	-107.72
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=C1	REAL300000369318	1	34	-2.0	-101.10	327.44	4.89	-96.21
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000369319	1	39	-2.0	-110.25	350.30	7.62	-102.63
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369320	0	47	-2.0	-119.32	392.30	7.88	-111.44
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1Cl	REAL300000369322	0	34	-2.0	-100.72	331.10	3.01	-97.71
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000369323	1	35	-2.0	-105.72	337.59	3.93	-101.79
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CC=C1Cl	REAL300000369324	1	34	-2.0	-105.33	323.32	6.89	-98.44
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1	REAL300000369325	1	37	-2.0	-118.79	335.94	6.78	-112.01
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)C=C2)=N1	REAL300000369326	1	40	-2.0	-109.49	374.09	7.26	-102.23
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369327	0	40	-2.0	-116.00	368.38	7.13	-108.87
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C([N+](=O)[O-])S1	REAL300000369328	0	33	-2.0	-118.96	322.42	6.98	-111.98
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)=C1	REAL300000369330	0	33	-2.0	-101.04	326.33	5.79	-95.25
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1	REAL300000369331	1	34	-2.0	-104.26	329.85	3.98	-100.28
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000369332	0	30	-2.0	-114.04	288.35	3.96	-110.08
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1	REAL300000369335	0	30	-2.0	-100.85	289.26	3.94	-96.91
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=C1	REAL300000369337	0	33	-2.0	-108.10	338.43	5.76	-102.34
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=CS1	REAL300000369338	0	29	-2.0	-115.32	298.25	5.19	-110.13
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369339	0	38	-2.0	-114.96	355.61	7.53	-107.43
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1	REAL300000369342	1	31	-2.0	-102.04	310.45	6.35	-95.69
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1	REAL300000369343	0	40	-2.0	-118.66	349.53	6.13	-112.53
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=C1	REAL300000369344	1	38	-2.0	-114.82	352.95	3.64	-111.18
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1	REAL300000369345	0	39	-2.0	-120.55	340.04	6.99	-113.56
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369346	0	41	-2.0	-111.35	361.32	4.75	-106.60
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(F)=C1	REAL300000369347	0	40	-2.0	-109.66	369.95	7.44	-102.22
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)S2)C1	REAL300000369352	0	42	-2.0	-111.14	378.17	6.26	-104.88
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000369353	1	46	-2.0	-115.48	397.71	8.13	-107.35
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369355	1	38	-2.0	-122.35	343.77	3.22	-119.13
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)=C1	REAL300000369358	1	43	-2.0	-110.04	371.91	7.24	-102.80
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)=C2)=N1	REAL300000369359	1	43	-2.0	-111.50	381.32	5.67	-105.83
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)N(C)N=C1	REAL300000369360	0	37	-2.0	-111.10	337.08	4.86	-106.24
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1C	REAL300000369361	1	42	-2.0	-112.81	373.56	4.97	-107.84
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369362	0	36	-2.0	-96.20	343.59	7.62	-88.58
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1Cl	REAL300000369363	1	39	-2.0	-106.16	368.84	4.63	-101.53
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)=C1	REAL300000369366	0	38	-2.0	-119.80	354.33	7.58	-112.22
COC(=O)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)C=CC=C12	REAL300000369367	1	43	-2.0	-111.15	378.97	8.61	-102.54
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)N1C	REAL300000369368	0	34	-2.0	-107.13	307.02	4.83	-102.30
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1F	REAL300000369369	0	37	-2.0	-112.85	352.64	6.53	-106.32
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369370	1	44	-2.0	-110.68	377.88	7.45	-103.23
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=C1	REAL300000369373	0	44	-2.0	-106.95	388.82	8.11	-98.84
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1F	REAL300000369374	0	36	-2.0	-116.50	333.09	7.87	-108.63
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CN1CC1CC1	REAL300000369375	0	44	-2.0	-119.21	386.55	7.75	-111.46
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)O1	REAL300000369376	0	37	-2.0	-105.81	345.28	5.16	-100.65
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)C=C2C1	REAL300000369377	1	42	-2.0	-117.29	371.63	6.29	-111.00
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300000369378	0	34	-2.0	-107.19	327.59	5.28	-101.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(C)=C1[N+](=O)[O-]	REAL300000369380	1	39	-2.0	-107.02	351.91	8.11	-98.91
O=C([O-])CC1=CC=CC(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000369381	0	40	-2.0	-117.35	363.78	8.35	-109.00
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000369381	1	39	-3.0	-193.73	357.35	8.47	-185.26
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369382	0	34	-2.0	-97.34	329.45	4.40	-92.94
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)=C1	REAL300000369383	1	42	-2.0	-112.47	388.48	9.88	-102.59
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1	REAL300000369384	0	30	-2.0	-106.95	305.22	4.39	-102.56
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000369385	1	41	-2.0	-122.96	353.95	9.19	-113.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(F)=C1F	REAL300000369387	0	34	-2.0	-114.69	319.92	6.57	-108.12
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)=C1	REAL300000369388	0	30	-2.0	-107.08	309.82	4.46	-102.62
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)OC=C1	REAL300000369389	0	34	-2.0	-118.81	324.11	4.80	-114.01
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300000369391	0	33	-2.0	-123.18	314.94	4.77	-118.41
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(C)=N1	REAL300000369392	0	43	-2.0	-108.40	375.76	6.55	-101.85
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C(OC)C=C1F	REAL300000369393	0	41	-2.0	-107.96	375.29	6.27	-101.69
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000369395	0	32	-3.0	-177.57	312.53	4.47	-173.10
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369396	0	35	-2.0	-109.68	320.61	5.93	-103.75
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1F	REAL300000369398	1	43	-2.0	-108.30	366.07	8.04	-100.26
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369399	1	32	-2.0	-101.22	315.08	6.24	-94.98
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1C(F)(F)F	REAL300000369401	0	34	-2.0	-105.08	320.98	4.41	-100.67
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1	REAL300000369402	0	33	-2.0	-122.42	311.01	4.97	-117.45
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1	REAL300000369402	1	33	-2.0	-109.80	311.11	4.83	-104.97
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1	REAL300000369403	0	35	-2.0	-119.08	321.58	5.76	-113.32
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369404	0	41	-2.0	-107.45	348.83	5.90	-101.55
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300000369405	0	43	-2.0	-107.22	356.26	6.41	-100.81
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1	REAL300000369407	0	41	-2.0	-107.37	355.25	6.14	-101.23
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369408	0	34	-2.0	-102.15	322.16	4.68	-97.47
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(Br)=N1	REAL300000369409	0	31	-2.0	-108.81	313.09	3.99	-104.82
O=C([O-])CC1=CC=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300000369413	0	32	-2.0	-95.53	303.12	4.39	-91.14
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1	REAL300000369413	1	32	-2.0	-107.25	304.03	3.55	-103.70
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000369414	1	41	-2.0	-110.23	365.06	8.56	-101.67
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369415	0	34	-2.0	-124.71	320.11	3.36	-121.35
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369416	0	37	-2.0	-108.28	330.69	4.94	-103.34
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1F	REAL300000369417	1	36	-2.0	-110.88	333.63	6.29	-104.59
NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300000369418	0	31	-2.0	-102.90	293.06	3.14	-99.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(C#N)=C1	REAL300000369419	0	35	-2.0	-119.23	327.34	6.73	-112.50
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369420	0	35	-2.0	-118.84	319.60	7.02	-111.82
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000369421	1	34	-2.0	-104.86	324.52	6.68	-98.18
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000369425	1	38	-2.0	-113.96	351.61	7.74	-106.22
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369427	0	31	-2.0	-100.33	307.09	1.59	-98.74
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COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369432	0	37	-3.0	-170.92	344.50	6.15	-164.77
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CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)C=CC=C21	REAL300000369489	0	36	-2.0	-130.27	332.39	4.19	-126.08
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COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369493	0	31	-2.0	-108.26	305.16	1.65	-106.61
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CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000369503	1	44	-2.0	-119.02	377.66	4.18	-114.84
COC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000369504	0	40	-2.0	-136.53	353.28	7.00	-129.53
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369505	1	40	-2.0	-112.23	352.24	7.99	-104.24
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369506	0	37	-2.0	-102.81	344.12	4.13	-98.68
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CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300000369570	0	33	-2.0	-108.16	308.55	2.66	-105.50
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1Cl	REAL300000369571	0	34	-2.0	-105.06	329.54	4.70	-100.36
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CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)O1	REAL300000369581	0	37	-2.0	-120.92	351.50	2.07	-118.85
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CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369597	0	37	-2.0	-108.87	332.26	5.72	-103.15
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)=CC=C21	REAL300000369598	1	38	-2.0	-117.81	341.56	7.55	-110.26
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CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1Cl	REAL300000369602	0	31	-2.0	-104.62	307.73	3.83	-100.79
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369603	0	44	-2.0	-111.21	378.88	8.20	-103.01
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000369604	1	36	-2.0	-106.68	340.54	6.47	-100.21
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CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369606	0	37	-2.0	-122.94	325.69	7.62	-115.32
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O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=C1	REAL300000369609	0	32	-2.0	-112.01	329.34	4.57	-107.44
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)S1	REAL300000369610	0	40	-2.0	-113.16	369.76	4.84	-108.32
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)S1	REAL300000369610	1	39	-3.0	-175.15	365.51	3.74	-171.41
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369611	0	33	-2.0	-100.20	315.59	5.18	-95.02
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369612	1	42	-2.0	-113.26	371.52	7.41	-105.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(C2CC2)=N1	REAL300000369613	0	41	-2.0	-111.61	364.68	6.58	-105.03
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000369614	0	35	-2.0	-118.68	325.86	5.14	-113.54
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=C1	REAL300000369615	1	37	-2.0	-108.69	350.49	8.56	-100.13
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C(Cl)S1	REAL300000369618	0	34	-2.0	-114.63	344.16	6.70	-107.93
CCC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=CC=C1Br	REAL300000369619	1	37	-2.0	-105.84	346.90	7.66	-98.18
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369620	0	44	-2.0	-106.93	374.62	6.94	-99.99
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300000369621	0	28	-2.0	-106.52	286.62	4.28	-102.24
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COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369623	0	45	-2.0	-118.18	392.67	6.08	-112.10
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300000369624	0	37	-2.0	-114.71	346.70	8.62	-106.09
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369625	0	39	-2.0	-105.75	340.12	3.53	-102.22
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1	REAL300000369626	1	38	-2.0	-114.48	331.40	7.95	-106.53
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(C)=N1	REAL300000369630	1	37	-2.0	-103.56	330.69	3.22	-100.34
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369631	0	37	-2.0	-115.05	335.26	3.59	-111.46
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369633	0	34	-2.0	-108.38	330.54	3.48	-104.90
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1C	REAL300000369634	0	37	-2.0	-104.72	335.16	3.20	-101.52
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300000369635	0	40	-2.0	-108.48	355.26	5.88	-102.60
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369636	0	40	-2.0	-109.18	351.44	5.52	-103.66
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N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)SC=C1	REAL300000369639	0	29	-2.0	-110.41	299.89	5.11	-105.30
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369641	0	37	-2.0	-104.42	329.57	5.05	-99.37
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1C	REAL300000369642	0	39	-2.0	-102.76	354.62	5.15	-97.61
O=C([O-])CC1=CC=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000369643	0	41	-2.0	-100.00	369.08	8.09	-91.91
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000369643	1	40	-3.0	-171.63	362.43	8.23	-163.40
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369644	0	34	-2.0	-117.01	329.69	7.60	-109.41
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O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300000369646	0	38	-2.0	-109.90	341.57	6.93	-102.97
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=NN1C(C)C	REAL300000369648	0	40	-2.0	-108.12	352.33	5.53	-102.59
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000369649	1	38	-2.0	-116.17	347.72	7.99	-108.18
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1	REAL300000369650	0	33	-2.0	-104.33	315.21	4.81	-99.52
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=C1	REAL300000369651	0	31	-2.0	-107.73	327.25	1.92	-105.81
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000369654	1	38	-2.0	-111.20	349.37	8.02	-103.18
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)=C1	REAL300000369655	0	35	-2.0	-113.37	338.30	6.26	-107.11
O=C([O-])CC1=CC=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000369656	0	41	-2.0	-106.44	364.36	8.22	-98.22
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000369656	1	40	-3.0	-180.81	361.77	8.23	-172.58
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300000369657	1	32	-2.0	-111.11	298.87	2.93	-108.18
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369658	1	40	-2.0	-113.14	352.70	7.47	-105.67
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1	REAL300000369659	0	34	-2.0	-119.79	327.51	6.79	-113.00
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000369660	0	35	-2.0	-122.79	335.90	5.05	-117.74
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1	REAL300000369661	1	38	-2.0	-118.80	343.67	8.08	-110.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(Cl)=C1Cl	REAL300000369662	0	34	-2.0	-110.32	334.90	7.41	-102.91
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)=C1	REAL300000369663	0	35	-2.0	-105.91	339.32	5.65	-100.26
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=C1	REAL300000369664	0	38	-2.0	-110.47	355.78	6.83	-103.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C(C(F)F)=C1	REAL300000369665	1	38	-2.0	-116.49	338.30	6.37	-110.12
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C1C(=O)OC	REAL300000369666	1	44	-2.0	-109.32	391.79	7.41	-101.91
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CC(=O)[O-])=C3)C=C2C1	REAL300000369667	1	44	-2.0	-115.55	387.15	8.31	-107.24
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369668	0	36	-2.0	-118.00	328.63	5.37	-112.63
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369669	0	37	-2.0	-106.91	352.94	3.94	-102.97
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)[O-])=C1	REAL300000369670	0	37	-2.0	-127.09	337.18	7.33	-119.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C2=NC=CC=C12	REAL300000369671	0	39	-2.0	-128.22	345.57	6.95	-121.27
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000369672	0	36	-3.0	-169.41	338.44	6.33	-163.08
CCC1=C(S(=O)(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000369672	1	37	-2.0	-99.16	341.15	5.77	-93.39
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369673	0	44	-2.0	-120.79	377.29	7.79	-113.00
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)C=C(Cl)S1	REAL300000369674	0	31	-2.0	-102.47	313.12	6.17	-96.30
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)=C1	REAL300000369675	0	38	-2.0	-112.72	360.55	6.75	-105.97
O=C([O-])CC1=CC=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1	REAL300000369676	0	38	-2.0	-109.37	333.60	5.10	-104.27
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000369677	0	34	-2.0	-116.44	314.76	6.51	-109.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1O	REAL300000369678	1	39	-2.0	-88.97	353.21	1.49	-87.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1O	REAL300000369679	1	32	-2.0	-104.73	301.28	2.94	-101.79
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(O)=C1	REAL300000369680	0	40	-2.0	-105.99	356.37	4.00	-101.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=C1O	REAL300000369681	0	32	-2.0	-102.00	313.17	3.61	-98.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1O	REAL300000369683	1	32	-2.0	-108.10	296.75	2.89	-105.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(O)=C1	REAL300000369684	0	36	-2.0	-112.65	324.89	2.70	-109.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=C1O	REAL300000369685	1	32	-2.0	-102.76	312.99	3.39	-99.37
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1O	REAL300000369686	1	36	-2.0	-94.92	328.20	4.20	-90.72
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1O	REAL300000369688	0	32	-2.0	-102.74	309.82	3.48	-99.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1O	REAL300000369689	1	32	-2.0	-103.14	309.25	3.30	-99.84
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=C1O	REAL300000369690	0	32	-2.0	-98.37	322.32	3.85	-94.52
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1O	REAL300000369691	1	38	-2.0	-110.07	329.43	4.25	-105.82
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1O	REAL300000369692	0	32	-2.0	-104.52	302.23	2.97	-101.55
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1O	REAL300000369693	1	38	-2.0	-94.19	340.32	4.50	-89.69
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1O	REAL300000369694	0	29	-2.0	-101.85	289.94	1.92	-99.93
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1O	REAL300000369695	1	35	-2.0	-107.90	312.18	3.69	-104.21
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C=C1O	REAL300000369697	1	43	-2.0	-90.44	373.59	3.96	-86.48
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=C1O	REAL300000369698	0	29	-2.0	-98.50	306.96	2.69	-95.81
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1O	REAL300000369699	1	33	-2.0	-106.45	303.40	2.26	-104.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2)=C1	REAL300000369701	0	32	-2.0	-98.22	305.87	2.59	-95.63
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1O	REAL300000369703	0	29	-2.0	-103.22	288.40	1.94	-101.28
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000369704	1	40	-2.0	-107.55	355.06	2.72	-104.83
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1O	REAL300000369706	1	42	-2.0	-111.84	351.99	5.53	-106.31
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1O	REAL300000369707	1	41	-2.0	-110.16	350.66	4.91	-105.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(O)=C1	REAL300000369708	1	38	-2.0	-106.18	326.90	4.62	-101.56
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(O)=C1	REAL300000369709	0	39	-2.0	-113.54	347.18	3.47	-110.07
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1O	REAL300000369710	0	35	-2.0	-112.69	331.86	3.34	-109.35
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1O	REAL300000369710	1	34	-3.0	-182.72	325.16	3.47	-179.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1O	REAL300000369711	1	39	-2.0	-112.18	341.01	4.80	-107.38
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2)C=C(C(=O)[O-])O1	REAL300000369712	0	32	-2.0	-101.20	299.75	2.04	-99.16
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1O	REAL300000369713	1	38	-2.0	-112.86	338.91	2.68	-110.18
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2)=C1	REAL300000369714	0	36	-2.0	-109.18	325.74	1.99	-107.19
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=C1O	REAL300000369716	1	32	-2.0	-96.94	324.42	3.76	-93.18
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1O	REAL300000369717	0	32	-2.0	-99.42	314.34	3.50	-95.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1O	REAL300000369718	1	36	-2.0	-92.22	343.84	3.72	-88.50
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=C1O	REAL300000369720	1	42	-2.0	-92.95	376.50	4.15	-88.80
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1O	REAL300000369721	1	35	-2.0	-98.60	317.46	3.72	-94.88
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1O	REAL300000369723	1	36	-2.0	-93.21	334.04	3.24	-89.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)C=C1O	REAL300000369724	1	42	-2.0	-92.63	386.30	4.64	-87.99
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2)C=C(C(=O)[O-])S1	REAL300000369726	1	32	-2.0	-104.50	305.35	2.80	-101.70
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C1O	REAL300000369727	0	32	-2.0	-97.03	324.97	3.93	-93.10
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1O	REAL300000369728	0	32	-2.0	-92.73	309.80	3.47	-89.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=C1O	REAL300000369729	1	32	-2.0	-92.24	313.15	3.60	-88.64
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1O	REAL300000369730	1	32	-2.0	-94.85	301.27	2.95	-91.90
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1O	REAL300000369731	0	29	-2.0	-97.14	289.02	2.04	-95.10
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1O	REAL300000369732	1	32	-2.0	-98.83	303.15	2.97	-95.86
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1O	REAL300000369733	0	35	-2.0	-105.99	322.52	3.61	-102.38
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000369734	0	36	-2.0	-97.51	337.05	3.53	-93.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1O	REAL300000369735	0	32	-2.0	-94.60	302.21	2.98	-91.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1O	REAL300000369736	1	32	-2.0	-92.83	309.25	3.31	-89.52
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1O	REAL300000369737	1	35	-2.0	-100.32	326.19	4.11	-96.21
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1O	REAL300000369738	1	40	-2.0	-91.72	360.49	4.32	-87.40
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=C1O	REAL300000369739	1	32	-2.0	-92.42	312.98	3.40	-89.02
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1O	REAL300000369740	1	32	-2.0	-96.37	307.57	3.00	-93.37
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1O	REAL300000369741	1	34	-2.0	-92.94	324.94	3.58	-89.36
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1O	REAL300000369742	0	33	-2.0	-106.80	306.47	0.61	-106.19
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1O	REAL300000369742	1	33	-2.0	-105.23	295.48	1.51	-103.72
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1O	REAL300000369743	1	35	-2.0	-98.75	318.92	3.69	-95.06
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1O	REAL300000369744	1	32	-2.0	-97.81	317.45	3.44	-94.37
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1O	REAL300000369745	1	35	-2.0	-104.47	306.30	3.57	-100.90
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1O	REAL300000369746	1	35	-2.0	-106.91	321.60	3.56	-103.35
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1O	REAL300000369749	0	34	-2.0	-105.50	323.31	3.99	-101.51
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1O	REAL300000369750	0	32	-2.0	-96.58	308.51	3.03	-93.55
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=C1O	REAL300000369751	0	29	-2.0	-93.55	305.47	2.79	-90.76
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1O	REAL300000369753	0	35	-2.0	-106.83	322.07	3.60	-103.23
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1O	REAL300000369754	0	35	-2.0	-104.51	328.49	4.04	-100.47
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2)=C1	REAL300000369755	0	35	-2.0	-113.27	321.78	3.60	-109.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2)C=C1C(=O)[O-]	REAL300000369756	1	38	-2.0	-109.21	330.99	4.09	-105.12
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1O	REAL300000369758	1	35	-2.0	-97.51	323.01	4.08	-93.43
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1O	REAL300000369759	1	35	-2.0	-91.85	326.86	3.72	-88.13
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1O	REAL300000369760	1	35	-2.0	-105.73	327.99	3.86	-101.87
CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1O	REAL300000369761	1	32	-2.0	-100.71	318.04	3.52	-97.19
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2)C=C1C(=O)[O-]	REAL300000369762	1	36	-2.0	-107.04	324.76	3.12	-103.92
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=C1O	REAL300000369764	0	32	-2.0	-94.92	322.33	3.46	-91.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=C1O	REAL300000369765	0	36	-2.0	-94.46	341.45	3.19	-91.27
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1O	REAL300000369766	1	35	-2.0	-101.86	330.49	3.97	-97.89
CC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1O	REAL300000369767	0	41	-2.0	-104.04	346.19	5.04	-99.00
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2)C=C1C(=O)[O-]	REAL300000369768	0	36	-2.0	-108.31	337.07	3.54	-104.77
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1O	REAL300000369770	0	37	-2.0	-101.03	340.01	5.10	-95.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1O	REAL300000369772	0	34	-2.0	-115.76	320.48	4.76	-111.00
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1O	REAL300000369773	0	32	-2.0	-112.45	300.41	2.94	-109.51
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1O	REAL300000369774	1	35	-2.0	-100.05	321.68	3.58	-96.47
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1O	REAL300000369775	1	38	-2.0	-115.62	337.79	5.03	-110.59
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1O	REAL300000369776	0	31	-2.0	-104.44	293.73	0.96	-103.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(O)=C1	REAL300000369777	0	36	-2.0	-99.51	324.95	2.70	-96.81
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1O	REAL300000369778	0	29	-2.0	-95.23	296.90	1.88	-93.35
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=C1O	REAL300000369779	1	36	-2.0	-102.49	340.52	3.46	-99.03
CC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=C1O	REAL300000369780	0	35	-2.0	-98.97	340.10	-0.05	-99.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1O	REAL300000369781	1	39	-2.0	-102.09	342.88	4.79	-97.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1O	REAL300000369782	1	39	-2.0	-106.00	342.21	4.79	-101.21
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(O)=C2)C=C(C(=O)[O-])O1	REAL300000369783	0	35	-2.0	-101.02	318.88	2.89	-98.13
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000369784	1	40	-2.0	-103.54	367.72	5.97	-97.57
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000369785	1	40	-2.0	-93.70	363.15	5.95	-87.75
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000369786	1	40	-2.0	-105.96	363.17	5.94	-100.02
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000369787	0	44	-2.0	-112.39	391.31	5.74	-106.65
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000369788	1	44	-2.0	-93.28	394.62	7.24	-86.04
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000369789	1	43	-2.0	-107.12	379.19	6.48	-100.64
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000369790	0	40	-2.0	-102.66	376.25	6.50	-96.16
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000369791	1	40	-2.0	-101.86	375.69	6.34	-95.52
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000369792	1	46	-2.0	-110.41	395.84	7.28	-103.13
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000369793	0	40	-2.0	-104.21	368.64	6.01	-98.20
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000369794	1	46	-2.0	-92.69	406.74	7.53	-85.16
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000369795	0	37	-2.0	-100.53	356.36	4.96	-95.57
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000369796	1	43	-2.0	-108.33	378.60	6.72	-101.61
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000369797	1	44	-2.0	-91.86	394.24	6.23	-85.63
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000369798	0	41	-2.0	-104.41	369.82	5.29	-99.12
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000369799	1	44	-2.0	-108.99	386.95	4.77	-104.22
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000369800	0	40	-2.0	-96.61	372.28	5.62	-90.99
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000369801	1	46	-2.0	-109.49	394.63	7.25	-102.24
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000369802	0	37	-2.0	-101.84	354.82	4.98	-96.86
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000369803	1	44	-2.0	-111.74	390.46	6.01	-105.73
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000369804	1	46	-2.0	-106.95	391.45	7.68	-99.27
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000369805	1	47	-2.0	-112.38	407.42	7.83	-104.55
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000369806	0	40	-2.0	-101.10	366.18	5.09	-96.01
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000369807	0	44	-2.0	-105.27	392.09	5.03	-100.24
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000369808	1	43	-2.0	-98.83	383.88	6.75	-92.08
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000369809	0	40	-2.0	-104.54	372.86	5.82	-98.72
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000369810	0	40	-2.0	-91.17	376.22	6.50	-84.67
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000369811	1	40	-2.0	-93.29	367.70	5.98	-87.31
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000369812	0	37	-2.0	-95.50	355.43	5.06	-90.44
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000369813	0	40	-2.0	-97.06	369.59	6.00	-91.06
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000369814	0	43	-2.0	-105.60	388.92	6.64	-98.96
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000369815	0	40	-2.0	-92.88	368.64	6.01	-86.87
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000369816	1	40	-2.0	-91.30	375.67	6.35	-84.95
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000369817	1	40	-2.0	-95.29	373.99	6.04	-89.25
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000369818	0	41	-2.0	-107.60	372.89	3.64	-103.96
CCCNC1=CC=C(C#N)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000369818	1	41	-2.0	-118.45	366.97	4.09	-114.36
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000369819	1	43	-2.0	-97.81	385.34	6.73	-91.08
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000369820	1	43	-2.0	-100.98	373.21	6.56	-94.42
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000369821	1	43	-2.0	-104.92	388.00	6.59	-98.33
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000369822	1	43	-2.0	-94.10	378.58	6.70	-87.40
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000369823	1	46	-2.0	-108.90	396.64	7.02	-101.88
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000369824	0	40	-2.0	-95.75	374.91	6.07	-89.68
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000369825	1	46	-2.0	-105.54	396.70	7.34	-98.20
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000369826	0	43	-2.0	-106.54	388.49	6.64	-99.90
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000369827	0	43	-2.0	-109.33	388.22	6.63	-102.70
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000369828	1	46	-2.0	-107.74	397.49	7.13	-100.61
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000369829	0	44	-2.0	-105.55	391.20	6.16	-99.39
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000369830	1	43	-2.0	-93.86	379.18	6.49	-87.37
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000369831	1	43	-2.0	-105.97	382.71	6.78	-99.19
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000369832	0	40	-2.0	-108.52	366.80	5.97	-102.55
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000369833	1	43	-2.0	-97.73	384.33	6.51	-91.22
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000369834	0	39	-2.0	-104.83	360.15	4.00	-100.83
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000369835	0	44	-2.0	-97.82	391.38	5.74	-92.08
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000369836	0	37	-2.0	-94.75	363.28	4.91	-89.84
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000369837	1	47	-2.0	-100.56	409.30	7.83	-92.73
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000369838	1	47	-2.0	-101.27	407.26	7.81	-93.46
CCCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000369839	0	43	-2.0	-101.10	385.30	5.93	-95.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=CC=C1F	REAL300000369840	1	34	-2.0	-102.45	328.00	6.96	-95.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1	REAL300000369841	1	34	-2.0	-94.06	323.43	6.94	-87.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1	REAL300000369842	1	34	-2.0	-104.96	323.42	6.94	-98.02
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(F)(F)F	REAL300000369843	0	38	-2.0	-110.03	351.62	6.73	-103.30
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1	REAL300000369844	1	38	-2.0	-93.64	354.89	8.23	-85.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1C(=O)[O-]	REAL300000369845	1	37	-2.0	-106.08	339.49	7.47	-98.61
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1	REAL300000369846	0	34	-2.0	-100.95	334.20	7.44	-93.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=CC=C1Cl	REAL300000369847	1	34	-2.0	-100.91	335.98	7.33	-93.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1C	REAL300000369848	1	40	-2.0	-107.38	352.86	8.15	-99.23
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1	REAL300000369849	0	34	-2.0	-102.97	328.95	7.00	-95.97
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1	REAL300000369850	1	40	-2.0	-92.65	367.01	8.52	-84.13
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1	REAL300000369851	0	31	-2.0	-99.87	316.66	5.95	-93.92
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(F)(F)F	REAL300000369852	1	37	-2.0	-105.58	335.21	7.61	-97.97
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1	REAL300000369853	1	38	-2.0	-92.07	354.51	7.22	-84.85
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1C(=O)[O-]	REAL300000369854	0	35	-2.0	-103.50	330.07	6.28	-97.22
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1	REAL300000369856	0	34	-2.0	-97.69	332.61	6.62	-91.07
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1C(=O)[O-]	REAL300000369857	1	40	-2.0	-106.80	351.16	8.14	-98.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=CS1	REAL300000369858	0	31	-2.0	-101.01	315.07	5.97	-95.04
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1C(=O)[O-]	REAL300000369859	1	38	-2.0	-110.81	350.75	7.00	-103.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(F)(F)F	REAL300000369860	1	40	-2.0	-105.78	347.11	8.21	-97.57
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1	REAL300000369861	1	41	-2.0	-109.72	363.48	8.70	-101.02
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C(C(=O)[O-])O1	REAL300000369862	0	34	-2.0	-99.18	325.93	6.05	-93.13
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1	REAL300000369863	0	38	-2.0	-108.48	350.07	6.15	-102.33
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(F)(F)F	REAL300000369864	1	37	-2.0	-96.72	340.36	7.64	-89.08
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C(C(=O)[O-])S1	REAL300000369865	0	34	-2.0	-102.27	329.87	6.75	-95.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C(Cl)=C1	REAL300000369866	0	34	-2.0	-91.44	334.17	7.43	-84.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1F	REAL300000369867	1	34	-2.0	-93.89	327.95	6.97	-86.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)S1	REAL300000369868	0	31	-2.0	-96.37	315.73	6.06	-90.31
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1	REAL300000369869	1	34	-2.0	-98.67	329.84	7.00	-91.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1F	REAL300000369870	0	37	-2.0	-104.45	349.22	7.63	-96.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C(F)=C1	REAL300000369871	0	34	-2.0	-93.72	328.94	7.00	-86.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1Cl	REAL300000369872	1	34	-2.0	-91.81	335.92	7.34	-84.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=CC(F)=C1F	REAL300000369873	1	34	-2.0	-94.56	334.29	7.03	-87.53
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1	REAL300000369874	0	35	-2.0	-104.52	330.68	4.78	-99.74
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2CC(F)(F)F)=C1	REAL300000369874	1	35	-2.0	-103.56	322.82	5.51	-98.05
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1	REAL300000369875	1	37	-2.0	-97.67	345.61	7.71	-89.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(F)(F)F	REAL300000369876	1	37	-2.0	-103.35	330.39	7.47	-95.88
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=CC(C(=O)[O-])=C1F	REAL300000369877	1	37	-2.0	-107.07	348.30	7.58	-99.49
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(F)(F)F	REAL300000369878	1	37	-2.0	-93.64	335.06	7.60	-86.04
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=CC(C(=O)[O-])=C1C	REAL300000369879	1	40	-2.0	-111.28	356.32	8.00	-103.28
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1	REAL300000369880	0	34	-2.0	-95.13	335.21	7.06	-88.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C(C)=C1C(=O)[O-]	REAL300000369881	1	40	-2.0	-107.69	353.87	8.20	-99.49
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1C(=O)[O-]	REAL300000369882	0	37	-2.0	-104.10	344.95	7.53	-96.57
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1	REAL300000369883	0	37	-2.0	-112.52	348.51	7.62	-104.90
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1C(=O)[O-]	REAL300000369884	1	40	-2.0	-110.09	357.72	8.11	-101.98
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1C(=O)[O-]	REAL300000369885	0	38	-2.0	-104.82	351.49	7.14	-97.68
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=CC=C1C(=O)[O-]	REAL300000369886	1	37	-2.0	-95.60	343.49	7.58	-88.02
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(F)(F)F	REAL300000369887	1	37	-2.0	-102.91	339.66	7.64	-95.27
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1F	REAL300000369888	0	34	-2.0	-111.64	327.06	6.96	-104.68
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C1C(=O)[O-]	REAL300000369889	1	37	-2.0	-97.14	344.63	7.50	-89.64
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C1	REAL300000369890	0	33	-2.0	-105.41	319.63	5.05	-100.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CC(F)(F)F	REAL300000369891	0	38	-2.0	-97.30	351.68	6.73	-90.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)=C(Cl)O1	REAL300000369892	0	31	-2.0	-93.87	323.57	5.91	-87.96
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3CC(F)(F)F)C=C2)CC1	REAL300000369893	1	41	-2.0	-99.68	369.60	8.82	-90.86
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3CC(F)(F)F)C=C2C1	REAL300000369894	1	41	-2.0	-103.95	367.51	8.80	-95.15
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(F)(F)F)C=C(C(=O)[O-])O1	REAL300000369895	0	37	-2.0	-100.31	339.52	6.73	-93.58
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(C(N)=O)C=C1F	REAL300000369896	0	35	-2.0	-110.14	328.92	2.81	-107.33
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C(C(N)=O)C=C1F	REAL300000369897	0	35	-2.0	-100.38	324.37	2.79	-97.59
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C(N)=O)C=C1F	REAL300000369898	0	35	-2.0	-112.73	324.38	2.78	-109.95
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(F)C=C1C(N)=O	REAL300000369899	0	39	-2.0	-116.96	352.52	2.57	-114.39
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C(C(N)=O)C=C1F	REAL300000369900	0	39	-2.0	-99.08	355.84	4.07	-95.01
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)C=C(F)C(C)=C2)C=C1C(=O)[O-]	REAL300000369901	0	38	-2.0	-114.04	340.39	3.31	-110.73
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C(C(N)=O)C=C1F	REAL300000369902	0	35	-2.0	-107.06	337.45	3.35	-103.71
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C(C(N)=O)C=C1F	REAL300000369903	0	35	-2.0	-108.60	336.89	3.17	-105.43
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C(C(N)=O)C=C1F	REAL300000369904	0	41	-2.0	-114.00	357.48	4.12	-109.88
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(C(N)=O)C=C1F	REAL300000369905	0	35	-2.0	-109.26	329.85	2.84	-106.42
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C(C(N)=O)C=C1F	REAL300000369906	0	41	-2.0	-98.20	367.95	4.37	-93.83
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(C(N)=O)C=C1F	REAL300000369907	0	32	-2.0	-107.20	317.56	1.79	-105.41
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)C=C(F)C(C)=C1	REAL300000369908	0	38	-2.0	-112.07	339.81	3.56	-108.51
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C(C(N)=O)C=C1F	REAL300000369909	0	39	-2.0	-97.85	355.46	3.06	-94.79
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C(N)=O)C=C1F	REAL300000369910	0	36	-2.0	-111.30	331.01	2.12	-109.18
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C(C(N)=O)C=C1F	REAL300000369911	0	39	-2.0	-112.53	348.16	1.61	-110.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C(N)=O)C=C(F)C(C)=C2)=C1	REAL300000369912	0	35	-2.0	-103.45	333.48	2.46	-100.99
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C(C(N)=O)C=C1F	REAL300000369913	0	41	-2.0	-113.40	355.83	4.10	-109.30
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(C(N)=O)C=C1F	REAL300000369914	0	32	-2.0	-108.47	316.02	1.81	-106.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000369915	0	39	-2.0	-118.75	351.67	2.85	-115.90
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C(C(N)=O)C=C1F	REAL300000369916	0	44	-2.0	-113.69	377.62	4.78	-108.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(F)C=C1C(N)=O	REAL300000369917	0	41	-2.0	-108.85	350.04	4.43	-104.42
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(F)C=C1C(N)=O	REAL300000369918	0	42	-2.0	-118.44	374.81	3.34	-115.10
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C(C(N)=O)C=C1F	REAL300000369919	0	37	-3.0	-190.49	352.78	3.34	-187.15
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C(C(N)=O)C=C1F	REAL300000369920	0	42	-2.0	-116.62	368.61	4.67	-111.95
CC1=C(S(=O)(=O)[N-]C2=C(C(N)=O)C=C(F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000369921	0	35	-2.0	-105.89	327.38	1.91	-103.98
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C)=C(F)C=C2C(N)=O)=C1	REAL300000369922	0	39	-2.0	-113.86	353.36	1.87	-111.99
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C(C(N)=O)C=C1F	REAL300000369923	0	42	-2.0	-98.39	375.53	3.77	-94.62
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C(C(N)=O)C=C1F	REAL300000369924	0	38	-2.0	-103.09	345.08	3.59	-99.50
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000369925	0	42	-2.0	-119.46	373.53	3.75	-115.71
CC1=C(S(=O)(=O)[N-]C2=C(C(N)=O)C=C(F)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000369926	0	35	-2.0	-108.64	334.07	2.66	-105.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C(C(N)=O)C=C1F	REAL300000369927	0	35	-2.0	-97.57	337.43	3.34	-94.23
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(C(N)=O)C=C1F	REAL300000369928	0	35	-2.0	-99.85	328.90	2.82	-97.03
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(C(N)=O)C=C1F	REAL300000369929	0	32	-2.0	-102.17	316.64	1.91	-100.26
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(C(N)=O)C=C1F	REAL300000369930	0	35	-2.0	-103.71	330.78	2.84	-100.87
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C(C(N)=O)C=C1F	REAL300000369931	0	38	-2.0	-110.78	350.12	3.47	-107.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(C(N)=O)C=C1F	REAL300000369932	0	35	-2.0	-100.04	329.83	2.85	-97.19
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C(C(N)=O)C=C1F	REAL300000369933	0	35	-2.0	-97.90	336.87	3.18	-94.72
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C(C(N)=O)C=C1F	REAL300000369934	0	35	-2.0	-101.78	335.19	2.87	-98.91
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C(C(N)=O)C=C1F	REAL300000369935	0	37	-2.0	-97.85	352.57	3.45	-94.40
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C(C(N)=O)C=C1F	REAL300000369936	0	36	-2.0	-110.21	334.09	0.48	-109.73
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C(C(N)=O)C=C1F	REAL300000369937	0	38	-2.0	-103.08	346.55	3.56	-99.52
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C(C(N)=O)C=C1F	REAL300000369938	0	38	-2.0	-109.72	334.41	3.41	-106.31
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C(C(N)=O)C=C1F	REAL300000369939	0	38	-2.0	-111.74	349.20	3.43	-108.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C(C(N)=O)C=C1F	REAL300000369940	0	38	-2.0	-100.08	339.78	3.56	-96.52
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C(C(N)=O)C=C1F	REAL300000369941	0	41	-2.0	-116.06	357.84	3.86	-112.20
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C(C(N)=O)C=C1F	REAL300000369942	0	37	-2.0	-111.12	350.95	3.87	-107.25
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C(C(N)=O)C=C1F	REAL300000369943	0	35	-2.0	-101.24	336.11	2.90	-98.34
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C(C(N)=O)C=C1F	REAL300000369944	0	41	-2.0	-114.43	357.90	4.18	-110.25
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C(C(N)=O)C=C1F	REAL300000369945	0	38	-2.0	-111.59	349.69	3.48	-108.11
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C)=C(F)C=C2C(N)=O)=C1	REAL300000369946	0	38	-2.0	-118.91	349.41	3.47	-115.44
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000369947	0	41	-2.0	-114.84	358.70	3.97	-110.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=C(F)C=C2C(N)=O)C=C1CC(=O)[O-]	REAL300000369948	0	42	-2.0	-113.58	374.86	2.91	-110.67
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000369949	0	39	-2.0	-112.65	352.33	2.99	-109.66
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C(C(N)=O)C=C1F	REAL300000369950	0	38	-2.0	-100.55	340.38	3.32	-97.23
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C(C(N)=O)C=C1F	REAL300000369951	0	38	-2.0	-109.61	343.91	3.62	-105.99
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C(C(N)=O)C=C1F	REAL300000369952	0	37	-2.0	-120.24	348.10	4.64	-115.60
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(C(N)=O)C=C1F	REAL300000369953	0	35	-2.0	-117.97	328.00	2.80	-115.17
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C(C(N)=O)C=C1F	REAL300000369954	0	38	-2.0	-104.61	345.54	3.35	-101.26
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(C(N)=O)C=C1F	REAL300000369955	0	34	-2.0	-108.41	321.35	0.83	-107.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=C(F)C=C1C(N)=O	REAL300000369956	0	39	-2.0	-104.27	352.58	2.57	-101.70
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C(C(N)=O)C=C1F	REAL300000369957	0	32	-2.0	-100.31	324.47	1.75	-98.56
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C(C(N)=O)C=C1F	REAL300000369958	0	42	-2.0	-106.20	370.50	4.67	-101.53
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C(C(N)=O)C=C1F	REAL300000369959	0	42	-2.0	-110.95	368.46	4.65	-106.30
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=C(F)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000369960	0	38	-2.0	-104.60	342.71	2.74	-101.86
CNC(=O)CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000369961	1	42	-2.0	-110.99	379.85	5.44	-105.55
CNC(=O)CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000369962	1	42	-2.0	-123.17	379.86	5.43	-117.74
CNC(=O)CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000369963	0	39	-2.0	-117.38	373.05	4.45	-112.93
CNC(=O)CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C21	REAL300000369964	0	43	-2.0	-121.59	386.50	4.79	-116.80
CNC(=O)CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000369965	0	39	-2.0	-118.86	371.51	4.47	-114.39
CNC(=O)CN1C=CC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C21	REAL300000369966	0	42	-2.0	-116.53	382.87	4.58	-111.95
CNC(=O)CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000369967	0	39	-2.0	-113.10	372.13	4.55	-108.55
CNC(=O)CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000369968	0	41	-2.0	-121.10	376.85	3.50	-117.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)=C1	REAL300000369976	1	38	-2.0	-111.84	352.16	5.37	-106.47
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)=C1	REAL300000369980	0	38	-2.0	-108.06	357.82	5.44	-102.62
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)C=C1	REAL300000369981	1	44	-2.0	-97.36	395.91	6.96	-90.40
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)=C1	REAL300000369982	0	35	-2.0	-104.93	345.53	4.39	-100.54
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000369984	1	39	-2.0	-110.09	358.80	4.73	-105.36
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)=C1	REAL300000369985	0	38	-2.0	-101.31	361.28	5.07	-96.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)=CS1	REAL300000369987	1	35	-2.0	-106.54	343.99	4.41	-102.13
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000369989	0	38	-2.0	-104.56	355.35	4.51	-100.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000369990	1	38	-2.0	-108.20	360.94	5.26	-102.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)C=C1F	REAL300000369991	1	38	-2.0	-98.42	356.68	5.42	-93.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)S1	REAL300000369992	0	35	-2.0	-99.95	344.61	4.50	-95.45
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)=C1	REAL300000369993	1	38	-2.0	-101.66	358.75	5.44	-96.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)C(F)=C1	REAL300000369994	0	38	-2.0	-97.81	357.61	5.45	-92.36
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)=C1	REAL300000369995	0	39	-2.0	-110.80	362.06	3.08	-107.72
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3=CC=CC=N3)C=C2)=C1	REAL300000369995	1	39	-2.0	-109.59	360.96	3.96	-105.63
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)C=C1	REAL300000369996	1	41	-2.0	-101.87	374.51	6.15	-95.72
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000370002	1	42	-2.0	-111.39	380.16	5.60	-105.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)=C1F	REAL300000370004	0	38	-2.0	-115.09	355.96	5.40	-109.69
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)=C1	REAL300000370005	0	37	-2.0	-108.42	348.55	3.49	-104.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)=C(Cl)O1	REAL300000370006	0	35	-2.0	-98.43	352.49	4.35	-94.08
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000370007	0	41	-2.0	-104.51	374.47	5.36	-99.15
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)N=N1	REAL300000370009	1	40	-2.0	-114.35	368.77	4.64	-109.71
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)N=N1	REAL300000370011	0	37	-2.0	-108.63	361.93	3.67	-104.96
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)N=N1	REAL300000370013	1	41	-2.0	-112.83	375.40	4.01	-108.82
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)N=N1	REAL300000370014	1	37	-2.0	-110.07	360.58	3.69	-106.38
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=C(C)N=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000370015	0	40	-2.0	-108.19	371.79	3.79	-104.40
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)N=N1	REAL300000370016	0	37	-2.0	-104.21	361.01	3.77	-100.44
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)N=N1	REAL300000370017	1	43	-2.0	-107.42	390.92	5.43	-101.99
CC1=CC=C(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)N=N1	REAL300000370021	0	39	-2.0	-113.01	364.97	2.77	-110.24
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(COCC3=CC=CC=C3)C=C2)=C1	REAL300000370023	1	45	-2.0	-111.15	402.51	8.75	-102.40
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(COCC3=CC=CC=C3)C=C2)=C1	REAL300000370024	0	44	-2.0	-108.65	398.71	6.87	-101.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C(C)=C1	REAL300000370028	0	45	-2.0	-114.35	383.19	6.40	-107.95
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1OC(C)C	REAL300000370031	0	41	-2.0	-104.26	368.11	7.17	-97.09
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1OC(C)C	REAL300000370034	0	41	-2.0	-105.88	360.52	6.66	-99.22
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1OC(C)C	REAL300000370036	0	38	-2.0	-102.74	348.21	5.61	-97.13
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000370039	1	42	-2.0	-106.92	361.69	5.95	-100.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C)=C2)=C1	REAL300000370041	0	41	-2.0	-98.74	364.14	6.28	-92.46
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000370043	1	38	-2.0	-104.23	346.69	5.63	-98.60
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C(C)=C1	REAL300000370047	0	48	-2.0	-114.80	405.48	7.16	-107.64
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000370048	0	44	-2.0	-109.07	385.90	7.16	-101.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000370050	0	41	-2.0	-102.38	358.05	5.74	-96.64
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C)=C2)=C1	REAL300000370051	0	45	-2.0	-109.64	384.03	5.69	-103.95
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1OC(C)C	REAL300000370053	1	44	-2.0	-100.08	375.73	7.42	-92.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000370056	1	41	-2.0	-106.04	363.63	6.49	-99.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1OC(C)C	REAL300000370057	1	41	-2.0	-93.49	368.10	7.16	-86.33
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1OC(C)C	REAL300000370059	0	38	-2.0	-97.57	347.31	5.73	-91.84
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000370060	1	41	-2.0	-99.35	361.43	6.67	-92.68
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1OC(C)C	REAL300000370061	0	44	-2.0	-107.34	380.82	7.30	-100.04
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1OC(C)C	REAL300000370062	0	41	-2.0	-95.27	360.51	6.67	-88.60
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000370065	1	41	-2.0	-97.26	365.85	6.69	-90.57
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1OC(C)C	REAL300000370066	1	43	-2.0	-93.36	383.24	7.27	-86.09
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1OC(C)C	REAL300000370067	0	42	-2.0	-108.61	364.76	4.31	-104.30
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1OC(C)C	REAL300000370067	1	42	-2.0	-106.47	363.86	5.11	-101.36
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000370073	1	43	-2.0	-106.57	382.17	7.74	-98.83
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1OC(C)C	REAL300000370074	0	41	-2.0	-97.33	366.80	6.73	-90.60
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1OC(C)C	REAL300000370076	0	44	-2.0	-108.54	380.81	7.35	-101.19
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1OC(C)C	REAL300000370077	0	44	-2.0	-106.07	386.79	7.74	-98.33
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C)=C2)=C1	REAL300000370078	0	44	-2.0	-113.33	380.06	7.29	-106.04
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C)=C2)C=C1C(=O)[O-]	REAL300000370083	1	45	-2.0	-108.34	383.05	6.81	-101.53
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1OC(C)C	REAL300000370087	0	43	-2.0	-115.75	378.77	8.45	-107.30
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1OC(C)C	REAL300000370088	0	41	-2.0	-112.54	358.64	6.63	-105.91
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1OC(C)C	REAL300000370091	0	40	-2.0	-106.28	351.25	4.72	-101.56
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C(C)=C1	REAL300000370092	0	45	-2.0	-100.34	383.23	6.40	-93.94
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000370093	0	38	-2.0	-96.12	355.20	5.59	-90.53
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000370096	0	44	-2.0	-102.31	377.18	6.59	-95.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3CCOCC3)C=C2)=C1	REAL300000370099	0	43	-2.0	-101.22	384.56	5.22	-96.00
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000370100	1	47	-2.0	-105.45	398.03	5.56	-99.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CCOCC3)C=C2)=CS1	REAL300000370101	1	43	-2.0	-102.51	383.03	5.24	-97.27
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3CCOCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000370102	0	46	-2.0	-101.07	394.38	5.34	-95.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3CCOCC3)C=C2)S1	REAL300000370103	0	43	-2.0	-96.06	383.65	5.33	-90.73
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCC3CCOCC3)C=C2)=C1	REAL300000370104	0	45	-2.0	-104.37	387.59	4.32	-100.05
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000370105	1	39	-2.0	-106.96	355.22	5.21	-101.75
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000370106	1	39	-2.0	-97.81	350.67	5.19	-92.62
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000370107	1	39	-2.0	-109.83	350.67	5.18	-104.65
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000370108	1	43	-2.0	-96.89	382.14	6.48	-90.41
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000370109	1	42	-2.0	-110.21	366.90	5.72	-104.49
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000370110	0	39	-2.0	-106.05	356.15	5.25	-100.80
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000370111	0	36	-2.0	-94.17	343.86	4.20	-89.97
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000370112	1	42	-2.0	-100.97	366.11	5.97	-95.00
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000370113	0	40	-2.0	-97.93	357.32	4.54	-93.39
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000370114	0	39	-2.0	-100.39	359.79	4.87	-95.52
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000370115	0	36	-2.0	-96.40	342.32	4.21	-92.19
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000370116	0	39	-2.0	-94.57	353.68	4.33	-90.24
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000370117	0	39	-2.0	-106.41	359.28	5.07	-101.34
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000370119	0	36	-2.0	-99.27	342.95	4.31	-94.96
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000370120	1	39	-2.0	-100.95	357.10	5.25	-95.70
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000370121	0	39	-2.0	-97.13	356.13	5.25	-91.88
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000370123	1	42	-2.0	-99.99	372.86	5.97	-94.02
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000370124	1	42	-2.0	-96.12	360.74	5.82	-90.30
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000370127	1	42	-2.0	-88.53	366.92	5.73	-82.80
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000370128	0	39	-2.0	-103.71	354.34	5.22	-98.49
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000370129	0	38	-2.0	-105.52	347.66	3.24	-102.28
CCN1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000370130	0	36	-2.0	-88.58	350.81	4.17	-84.41
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=NN3CC)=C2)C=C(C(=O)[O-])O1	REAL300000370131	0	42	-2.0	-94.50	372.81	5.17	-89.33
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=CC=C1F	REAL300000370132	0	39	-2.0	-112.19	369.96	5.04	-107.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1	REAL300000370133	0	39	-2.0	-102.69	365.39	5.01	-97.68
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=CC=C1	REAL300000370134	0	39	-2.0	-114.25	365.40	5.00	-109.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)COCC1=CC=CC=C1	REAL300000370135	0	43	-2.0	-117.57	393.55	4.82	-112.75
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1	REAL300000370136	0	43	-2.0	-101.74	396.85	6.30	-95.44
CC1=CC=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000370137	0	42	-2.0	-115.28	381.45	5.54	-109.74
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=C1	REAL300000370138	0	39	-2.0	-108.41	378.48	5.56	-102.85
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=CC=C1Cl	REAL300000370139	0	39	-2.0	-110.33	377.93	5.40	-104.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=C1C	REAL300000370140	0	45	-2.0	-114.92	397.80	6.30	-108.62
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=C1	REAL300000370141	0	39	-2.0	-109.86	370.88	5.07	-104.79
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1	REAL300000370142	0	45	-2.0	-100.53	408.97	6.60	-93.93
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=C1	REAL300000370143	0	36	-2.0	-108.88	358.59	4.03	-104.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)COCC1=CC=CC=C1	REAL300000370144	0	42	-2.0	-113.08	380.83	5.77	-107.31
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1	REAL300000370145	0	43	-2.0	-100.55	396.47	5.29	-95.26
CN1C=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000370146	0	40	-2.0	-113.16	372.06	4.36	-108.80
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)COCC1=CC=CC=C1	REAL300000370147	0	43	-2.0	-113.86	389.61	3.81	-110.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=C1	REAL300000370148	0	39	-2.0	-105.17	374.52	4.69	-100.48
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000370149	0	45	-2.0	-114.12	396.86	6.32	-107.80
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=CS1	REAL300000370150	0	36	-2.0	-110.34	357.06	4.04	-106.30
COC1=CC=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000370151	0	43	-2.0	-120.29	392.69	5.07	-115.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)COCC1=CC=CC=C1	REAL300000370152	0	45	-2.0	-110.82	395.54	6.53	-104.29
CC1=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000370153	0	39	-2.0	-107.44	368.41	4.15	-103.29
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=C1	REAL300000370154	0	43	-2.0	-117.74	394.31	4.11	-113.63
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)COCC1=CC=CC=C1	REAL300000370155	0	42	-2.0	-104.59	386.11	5.81	-98.78
CC1=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300000370156	0	39	-2.0	-110.04	374.01	4.91	-105.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C(Cl)=C1	REAL300000370157	0	39	-2.0	-100.25	378.46	5.55	-94.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1F	REAL300000370158	0	39	-2.0	-102.46	369.93	5.05	-97.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)S1	REAL300000370159	0	36	-2.0	-104.09	357.67	4.14	-99.95
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=CC(F)=C1	REAL300000370160	0	39	-2.0	-105.56	371.81	5.07	-100.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=C1F	REAL300000370161	0	42	-2.0	-111.28	391.17	5.71	-105.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C(F)=C1	REAL300000370162	0	39	-2.0	-102.06	370.87	5.08	-96.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1Cl	REAL300000370163	0	39	-2.0	-100.39	377.90	5.41	-94.98
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=C1	REAL300000370164	0	40	-2.0	-111.12	375.12	2.73	-108.39
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=C1	REAL300000370164	1	39	-3.0	-208.37	371.56	3.61	-204.76
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1	REAL300000370165	0	42	-2.0	-104.48	387.57	5.79	-98.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)COCC1=CC=CC=C1	REAL300000370166	0	42	-2.0	-112.11	374.95	5.61	-106.50
CC1=CC(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=CC(C(=O)[O-])=C1F	REAL300000370167	0	42	-2.0	-113.54	390.24	5.66	-107.88
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)COCC1=CC=CC=C1	REAL300000370168	0	42	-2.0	-102.65	380.41	5.72	-96.93
CC1=CC(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=CC(C(=O)[O-])=C1C	REAL300000370169	0	45	-2.0	-118.82	402.20	6.17	-112.65
CC1=CC=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C(C)=C1C(=O)[O-]	REAL300000370170	0	45	-2.0	-116.44	399.88	6.38	-110.06
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000370171	0	42	-2.0	-110.87	386.88	5.60	-105.27
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=C1	REAL300000370172	0	42	-2.0	-120.87	390.44	5.70	-115.17
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000370173	0	45	-2.0	-115.83	399.69	6.19	-109.64
CCN1C=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000370174	0	43	-2.0	-114.50	393.42	5.22	-109.28
CC1=CC(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000370175	0	42	-2.0	-102.73	381.41	5.55	-97.18
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)COCC1=CC=CC=C1	REAL300000370176	0	42	-2.0	-110.88	385.36	5.81	-105.07
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=CC=C1	REAL300000370177	0	39	-2.0	-120.05	369.06	5.04	-115.01
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000370178	0	42	-2.0	-106.17	386.59	5.58	-100.59
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=C1	REAL300000370179	0	38	-2.0	-109.30	362.39	3.06	-106.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)COCC1=CC=CC=C1	REAL300000370180	0	43	-2.0	-106.30	393.60	4.81	-101.49
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)=C(Cl)O1	REAL300000370181	0	36	-2.0	-102.13	365.55	3.98	-98.15
CCC1=C(S(=O)(=O)[N-]NC(=O)COCC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000370182	0	42	-2.0	-107.07	387.53	4.93	-102.14
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000370185	1	41	-2.0	-120.88	357.91	5.61	-115.27
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(NC(C)=O)=C1C	REAL300000370186	0	45	-2.0	-125.81	386.16	5.41	-120.40
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000370192	0	41	-2.0	-117.20	363.40	5.67	-111.53
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300000370193	1	47	-2.0	-104.37	402.54	7.30	-97.07
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000370194	0	38	-2.0	-114.29	351.10	4.62	-109.67
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000370197	1	42	-2.0	-116.30	365.53	5.10	-111.20
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000370199	0	41	-2.0	-108.90	367.03	5.30	-103.60
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000370201	1	38	-2.0	-115.98	349.56	4.65	-111.33
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000370204	0	41	-2.0	-113.32	360.92	4.74	-108.58
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C	REAL300000370205	0	45	-2.0	-119.06	386.58	4.70	-114.36
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C	REAL300000370206	1	44	-2.0	-110.97	378.34	6.43	-104.54
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000370207	1	41	-2.0	-114.20	368.65	5.59	-108.61
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000370208	0	41	-2.0	-103.54	370.95	6.18	-97.36
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000370209	1	41	-2.0	-105.30	362.42	5.66	-99.64
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000370210	0	38	-2.0	-107.61	350.17	4.74	-102.87
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000370211	1	41	-2.0	-108.98	364.30	5.68	-103.30
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C	REAL300000370212	0	44	-2.0	-118.70	383.37	6.32	-112.38
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000370213	0	41	-2.0	-105.55	363.36	5.69	-99.86
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000370214	1	41	-2.0	-103.56	370.39	6.02	-97.54
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000370215	1	41	-2.0	-108.73	368.45	5.70	-103.03
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000370216	0	42	-2.0	-119.36	367.33	3.33	-116.03
CC(=O)NC1=C(C)C=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C	REAL300000370216	1	42	-2.0	-111.07	360.75	4.12	-106.95
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000370217	1	44	-2.0	-109.28	380.86	6.50	-102.78
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C	REAL300000370222	0	41	-2.0	-108.30	369.35	5.74	-102.56
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C	REAL300000370224	0	44	-2.0	-118.52	378.14	6.19	-112.33
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C	REAL300000370225	0	44	-2.0	-123.32	382.93	6.30	-117.02
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(NC(C)=O)=C2C)C=C1C(=O)[O-]	REAL300000370227	1	45	-2.0	-119.75	386.85	5.96	-113.79
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000370230	0	41	-2.0	-125.18	362.62	5.72	-119.46
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000370231	1	44	-2.0	-112.31	378.09	6.15	-106.16
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000370232	0	40	-2.0	-116.20	356.27	3.87	-112.33
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(NC(C)=O)=C1C	REAL300000370233	0	45	-2.0	-110.73	386.22	5.41	-105.32
CC(=O)NC1=C(C)C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C	REAL300000370234	0	38	-2.0	-105.48	359.08	4.67	-100.81
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(NC(C)=O)=C2C)C=C(C(=O)[O-])O1	REAL300000370235	0	44	-2.0	-110.54	381.07	5.69	-104.85
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000370236	1	33	-2.0	-101.75	330.77	6.84	-94.91
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000370237	1	33	-2.0	-91.98	326.23	6.82	-85.16
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000370238	1	33	-2.0	-104.11	326.24	6.81	-97.30
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000370239	1	37	-2.0	-91.97	357.69	8.11	-83.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000370240	1	36	-2.0	-105.19	342.26	7.35	-97.84
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000370241	1	39	-2.0	-109.00	359.34	8.15	-100.85
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000370242	0	33	-2.0	-102.58	331.71	6.88	-95.70
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000370243	1	39	-2.0	-91.38	369.80	8.40	-82.98
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000370244	0	30	-2.0	-98.55	319.42	5.83	-92.72
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC([N+](=O)[O-])=C(Cl)C=C1C	REAL300000370245	1	36	-2.0	-107.21	341.67	7.59	-99.62
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000370246	0	34	-2.0	-102.37	332.88	6.16	-96.21
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=C(Cl)C=C2C)=C1	REAL300000370247	0	33	-2.0	-94.69	335.34	6.50	-88.19
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000370248	1	39	-2.0	-108.41	357.69	8.13	-100.28
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000370249	0	30	-2.0	-99.96	317.89	5.85	-94.11
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC([N+](=O)[O-])=C(Cl)C=C1C	REAL300000370250	1	39	-2.0	-106.12	355.84	8.52	-97.60
CC1=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=C(Cl)C=C2C)C=C(C(=O)[O-])O1	REAL300000370251	0	33	-2.0	-99.70	329.24	5.95	-93.75
CC1=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=C(Cl)C=C2C)C=C(C(=O)[O-])S1	REAL300000370252	0	33	-2.0	-103.28	335.93	6.70	-96.58
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000370253	1	33	-2.0	-91.51	330.75	6.85	-84.66
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000370254	0	30	-2.0	-93.57	318.50	5.94	-87.63
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000370255	0	33	-2.0	-95.03	332.64	6.88	-88.15
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000370256	0	33	-2.0	-91.00	331.70	6.88	-84.12
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000370257	0	34	-2.0	-106.69	335.95	4.53	-102.16
CC1=CC(Cl)=C([N+](=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000370257	1	34	-2.0	-109.85	333.37	5.36	-104.49
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000370258	1	36	-2.0	-96.50	348.41	7.60	-88.90
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000370259	1	36	-2.0	-98.89	336.27	7.45	-91.44
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000370260	1	36	-2.0	-92.71	341.65	7.58	-85.13
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000370261	1	39	-2.0	-106.91	359.70	7.89	-99.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=C(Cl)C=C2C)C(C)=C1C(=O)[O-]	REAL300000370262	1	39	-2.0	-103.12	360.71	8.20	-94.92
CCC1=CC=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000370263	1	39	-2.0	-105.87	360.17	7.99	-97.88
CCN1C=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000370264	0	37	-2.0	-103.44	354.19	7.01	-96.43
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000370265	1	36	-2.0	-92.00	342.24	7.36	-84.64
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000370266	0	33	-2.0	-106.16	329.87	6.84	-99.32
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000370267	0	32	-2.0	-103.38	323.22	4.88	-98.50
CC1=CC(Cl)=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000370268	0	30	-2.0	-92.90	326.34	5.79	-87.11
CCC1=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=C(Cl)C=C2C)C=C(C(=O)[O-])O1	REAL300000370269	0	36	-2.0	-99.85	348.35	6.80	-93.05
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1OC1CCOCC1	REAL300000370272	0	43	-2.0	-102.12	380.81	5.15	-96.97
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1OC1CCOCC1	REAL300000370273	1	47	-2.0	-106.30	394.28	5.48	-100.82
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1OC1CCOCC1	REAL300000370274	1	43	-2.0	-103.81	379.28	5.16	-98.65
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCOCC3)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000370275	0	46	-2.0	-101.81	390.63	5.27	-96.54
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1OC1CCOCC1	REAL300000370276	0	43	-2.0	-97.13	379.90	5.26	-91.87
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1OC1CCOCC1	REAL300000370277	0	45	-2.0	-105.64	383.85	4.26	-101.38
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000370278	1	34	-2.0	-101.42	341.72	6.21	-95.21
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000370279	1	34	-2.0	-91.80	337.16	6.19	-85.61
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000370280	1	34	-2.0	-103.69	337.18	6.18	-97.51
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000370281	0	38	-2.0	-108.58	365.32	5.98	-102.60
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000370282	1	38	-2.0	-91.38	368.63	7.47	-83.91
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000370283	1	37	-2.0	-104.73	353.20	6.71	-98.02
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000370284	1	40	-2.0	-106.33	369.86	7.52	-98.81
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000370285	0	34	-2.0	-100.50	342.66	6.24	-94.26
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000370286	1	40	-2.0	-90.48	380.75	7.77	-82.71
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000370287	0	31	-2.0	-98.24	330.37	5.19	-93.05
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000370288	1	37	-2.0	-104.34	352.62	6.96	-97.38
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000370289	1	38	-2.0	-90.08	368.25	6.46	-83.62
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000370290	0	35	-2.0	-102.20	343.83	5.53	-96.67
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000370291	1	38	-2.0	-104.85	361.39	5.00	-99.85
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000370292	0	34	-2.0	-94.49	346.29	5.86	-88.63
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000370293	1	40	-2.0	-105.42	368.64	7.51	-97.91
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000370294	0	31	-2.0	-99.58	328.83	5.22	-94.36
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000370295	1	38	-2.0	-109.53	364.47	6.25	-103.28
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(=O)OC)=C1	REAL300000370296	1	40	-2.0	-102.78	367.32	7.90	-94.88
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000370297	0	34	-2.0	-97.78	340.19	5.32	-92.46
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000370298	0	38	-2.0	-104.98	366.17	5.27	-99.71
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000370299	0	34	-2.0	-100.83	346.88	6.06	-94.77
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000370300	1	34	-2.0	-91.47	341.71	6.22	-85.25
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000370301	0	31	-2.0	-93.31	329.46	5.31	-88.00
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000370302	0	34	-2.0	-94.81	343.59	6.25	-88.56
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000370303	0	34	-2.0	-91.16	342.64	6.25	-84.91
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000370304	0	35	-2.0	-103.00	346.90	3.89	-99.11
COC(=O)C1=CC(Cl)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000370304	1	35	-2.0	-102.05	335.92	4.76	-97.29
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000370305	1	37	-2.0	-94.76	359.35	6.96	-87.80
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000370306	1	37	-2.0	-100.43	347.23	6.82	-93.61
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000370307	1	37	-2.0	-92.09	352.59	6.96	-85.13
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000370308	1	40	-2.0	-107.88	374.68	7.38	-100.50
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000370309	1	40	-2.0	-104.72	371.66	7.57	-97.15
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000370310	1	40	-2.0	-105.41	371.15	7.37	-98.04
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000370311	0	38	-2.0	-103.41	365.20	6.40	-97.01
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000370312	1	37	-2.0	-91.89	353.19	6.72	-85.17
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000370313	0	34	-2.0	-108.20	340.84	6.21	-101.99
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000370314	0	33	-2.0	-101.30	333.40	4.30	-97.00
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000370315	0	38	-2.0	-95.81	365.38	5.98	-89.83
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000370316	0	31	-2.0	-91.85	337.32	5.15	-86.70
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000370317	0	37	-2.0	-97.62	359.31	6.17	-91.45
CCCS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000370318	1	42	-2.0	-93.62	385.87	3.32	-90.30
CCCS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000370319	1	42	-2.0	-105.25	385.87	3.31	-101.94
CCCS(=O)(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000370320	0	41	-2.0	-102.96	382.86	1.36	-101.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CSC3CCCC3)=C2)=C1	REAL300000370322	1	45	-2.0	-109.28	397.67	9.77	-99.51
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(CSC3CCCC3)=C2)=C1	REAL300000370323	0	42	-2.0	-103.58	390.85	8.79	-94.79
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CSC3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000370324	1	46	-2.0	-107.74	404.31	9.12	-98.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CSC3CCCC3)=C2)=CS1	REAL300000370325	0	42	-2.0	-104.99	388.73	8.79	-96.20
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CSC3CCCC3)=C2)C=C(C(=O)[O-])O1	REAL300000370326	0	45	-2.0	-102.90	400.68	8.91	-93.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CSC3CCCC3)=C2)S1	REAL300000370327	0	42	-2.0	-99.01	389.94	8.90	-90.11
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CSC3CCCC3)=C2)=C1	REAL300000370328	0	44	-2.0	-107.23	393.89	7.90	-99.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=CC=C1F	REAL300000370329	0	39	-2.0	-104.00	359.40	6.96	-97.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1	REAL300000370330	0	39	-2.0	-94.06	354.84	6.94	-87.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=C1	REAL300000370331	0	39	-2.0	-106.43	354.86	6.91	-99.52
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC1CC1	REAL300000370332	0	43	-2.0	-111.49	383.01	6.73	-104.76
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1	REAL300000370333	0	43	-2.0	-93.35	386.31	8.23	-85.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000370334	0	42	-2.0	-107.71	370.88	7.45	-100.26
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=C1	REAL300000370335	0	39	-2.0	-101.66	367.93	7.51	-94.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=CC=C1Cl	REAL300000370336	0	39	-2.0	-102.36	367.37	7.32	-95.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=C1C	REAL300000370337	0	45	-2.0	-108.71	387.98	8.26	-100.45
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=C1	REAL300000370338	0	39	-2.0	-103.42	360.34	6.99	-96.43
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1	REAL300000370339	0	45	-2.0	-92.61	398.43	8.50	-84.11
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=C1	REAL300000370340	0	36	-2.0	-100.79	348.05	5.94	-94.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC1CC1	REAL300000370341	0	42	-2.0	-106.68	370.30	7.70	-98.98
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1	REAL300000370342	0	43	-2.0	-92.09	385.93	7.22	-84.87
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000370343	0	40	-2.0	-104.89	361.51	6.28	-98.61
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC1CC1	REAL300000370344	1	43	-2.0	-107.34	378.64	5.76	-101.58
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=C1	REAL300000370345	0	39	-2.0	-97.03	363.97	6.61	-90.42
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000370346	0	45	-2.0	-107.99	386.31	8.24	-99.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=CS1	REAL300000370347	0	36	-2.0	-102.18	346.51	5.96	-96.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000370348	0	43	-2.0	-112.30	382.15	6.99	-105.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC1CC1	REAL300000370349	0	45	-2.0	-104.72	384.98	8.66	-96.06
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C(C(=O)[O-])O1	REAL300000370350	0	39	-2.0	-100.07	357.87	6.06	-94.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=C1	REAL300000370351	0	43	-2.0	-107.52	383.84	6.01	-101.51
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC1CC1	REAL300000370352	0	42	-2.0	-97.50	375.57	7.74	-89.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C(C(=O)[O-])S1	REAL300000370353	0	39	-2.0	-103.35	363.49	6.82	-96.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C(Cl)=C1	REAL300000370354	0	39	-2.0	-91.62	367.91	7.50	-84.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1F	REAL300000370355	0	39	-2.0	-93.60	359.39	6.97	-86.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)S1	REAL300000370356	0	36	-2.0	-95.78	347.12	6.04	-89.74
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=C1	REAL300000370357	0	39	-2.0	-97.47	361.28	6.98	-90.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=C1F	REAL300000370358	0	42	-2.0	-104.96	380.61	7.62	-97.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C(F)=C1	REAL300000370359	0	39	-2.0	-93.57	360.31	6.99	-86.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1Cl	REAL300000370360	0	39	-2.0	-91.66	367.36	7.32	-84.34
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=C1	REAL300000370361	0	40	-2.0	-105.34	364.57	4.63	-100.71
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1	REAL300000370362	0	42	-2.0	-97.16	377.03	7.70	-89.46
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC1CC1	REAL300000370363	0	42	-2.0	-102.93	364.90	7.56	-95.37
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=CC(C(=O)[O-])=C1F	REAL300000370364	0	42	-2.0	-105.41	379.70	7.57	-97.84
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC1CC1	REAL300000370365	0	42	-2.0	-94.03	370.28	7.70	-86.33
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=CC(C(=O)[O-])=C1C	REAL300000370366	0	45	-2.0	-109.66	387.74	7.99	-101.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C(C)=C1C(=O)[O-]	REAL300000370367	0	45	-2.0	-107.61	388.39	8.33	-99.28
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000370368	0	42	-2.0	-105.71	380.17	7.63	-98.08
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=C1	REAL300000370369	0	42	-2.0	-112.02	379.91	7.61	-104.41
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000370370	0	45	-2.0	-108.41	388.83	8.12	-100.29
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000370371	0	43	-2.0	-106.16	382.88	7.13	-99.03
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=CC=C1C(=O)[O-]	REAL300000370372	0	42	-2.0	-95.80	374.93	7.56	-88.24
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC1CC1	REAL300000370373	0	42	-2.0	-104.12	374.81	7.74	-96.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=C1F	REAL300000370374	0	39	-2.0	-111.18	358.50	6.96	-104.22
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000370375	0	42	-2.0	-98.27	376.02	7.49	-90.78
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=C1	REAL300000370376	0	38	-2.0	-104.19	351.07	5.04	-99.15
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC1CC1	REAL300000370377	0	43	-2.0	-98.16	383.06	6.71	-91.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)=C(Cl)O1	REAL300000370378	0	36	-2.0	-94.28	354.97	5.90	-88.38
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC2CC2)C=C(C(=O)[O-])O1	REAL300000370379	0	42	-2.0	-99.67	376.99	6.92	-92.75
CC(=O)N(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1)C1CC1	REAL300000370381	1	45	-2.0	-113.23	384.65	7.49	-105.74
CC(=O)N(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1)C1CC1	REAL300000370382	0	42	-2.0	-105.86	378.61	6.53	-99.33
CC(=O)N(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1)C1CC1	REAL300000370383	1	46	-2.0	-111.80	391.28	6.84	-104.96
CC(=O)N(CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1)C1CC1	REAL300000370384	0	42	-2.0	-110.91	376.30	6.52	-104.39
CC(=O)N(CC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1)C1CC1	REAL300000370385	0	45	-2.0	-107.53	389.70	6.69	-100.84
CC(=O)N(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1)C1CC1	REAL300000370386	0	42	-2.0	-103.90	378.93	6.68	-97.22
CC(=O)N(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1)C1CC1	REAL300000370387	0	44	-2.0	-113.09	382.89	5.67	-107.42
CCS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000370388	0	40	-2.0	-101.34	378.29	1.99	-99.35
CCS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000370389	0	40	-2.0	-113.88	378.31	1.97	-111.91
CCS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000370390	0	37	-2.0	-108.19	371.48	1.01	-107.18
CCS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000370391	0	41	-2.0	-112.41	384.95	1.34	-111.07
CCS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000370392	0	37	-2.0	-109.65	369.95	1.02	-108.63
CCS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=N1	REAL300000370393	0	40	-2.0	-108.27	381.31	1.13	-107.14
CCS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000370394	0	37	-2.0	-102.78	370.56	1.11	-101.67
CCS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000370395	0	39	-2.0	-110.85	375.28	0.06	-110.79
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C3OCCC3=C2)C=C1	REAL300000370396	1	40	-2.0	-126.24	358.58	6.50	-119.74
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1	REAL300000370398	0	35	-2.0	-130.51	331.16	6.92	-123.59
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1	REAL300000370399	0	34	-2.0	-116.70	334.51	5.30	-111.40
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370400	0	36	-2.0	-118.90	343.49	7.06	-111.84
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370401	0	36	-2.0	-115.52	343.48	7.05	-108.47
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1	REAL300000370402	0	35	-2.0	-122.21	344.89	7.24	-114.97
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370403	0	36	-2.0	-128.19	340.76	6.95	-121.24
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)C=C1	REAL300000370404	1	45	-2.0	-129.58	385.38	9.14	-120.44
O=C([O-])C1=NN(C2=CC=CC=C2NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000370405	0	38	-2.0	-115.64	349.30	7.31	-108.33
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000370405	1	37	-3.0	-202.14	351.11	7.23	-194.91
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C3CCCC3=C2)C=C1	REAL300000370406	1	42	-2.0	-129.48	368.21	8.56	-120.92
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370407	0	37	-2.0	-118.86	335.74	5.61	-113.25
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2)C=C1	REAL300000370408	0	37	-3.0	-214.58	351.12	7.23	-207.35
O=C([O-])C1=NN(C2=CC=CC=C2NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2)C=C1	REAL300000370408	1	38	-2.0	-143.32	349.37	7.29	-136.03
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300000370409	0	35	-2.0	-115.30	335.36	6.77	-108.53
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370410	0	38	-2.0	-126.23	344.07	7.32	-118.91
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1	REAL300000370412	0	35	-2.0	-120.99	339.39	7.19	-113.80
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370413	0	40	-2.0	-124.21	363.13	7.05	-117.16
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370414	1	41	-2.0	-124.38	359.56	8.11	-116.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1C	REAL300000370415	1	41	-2.0	-128.13	361.07	7.87	-120.26
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1	REAL300000370416	0	35	-2.0	-115.30	345.24	7.22	-108.08
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370417	0	40	-2.0	-133.76	365.43	7.14	-126.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(C)=C1	REAL300000370418	1	41	-2.0	-124.19	359.55	8.11	-116.08
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370419	1	47	-2.0	-127.06	398.87	8.97	-118.09
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370420	1	44	-2.0	-126.22	382.89	8.58	-117.64
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370421	1	47	-2.0	-126.02	401.34	9.25	-116.77
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1	REAL300000370422	0	32	-2.0	-117.59	331.63	6.28	-111.31
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370423	1	44	-2.0	-125.19	387.06	8.87	-116.32
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370424	0	39	-2.0	-129.01	350.92	6.44	-122.57
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1	REAL300000370425	0	35	-2.0	-122.34	340.72	6.86	-115.48
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1	REAL300000370426	0	35	-2.0	-123.22	335.80	7.23	-115.99
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300000370427	0	37	-2.0	-120.72	350.88	7.34	-113.38
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300000370428	0	32	-2.0	-122.54	314.59	5.66	-116.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370429	1	39	-2.0	-123.89	352.16	5.95	-117.94
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300000370430	0	37	-2.0	-132.17	343.75	8.07	-124.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370431	1	38	-2.0	-125.95	344.07	7.34	-118.61
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370432	1	42	-2.0	-124.00	374.00	6.88	-117.12
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1	REAL300000370433	0	35	-2.0	-121.36	334.56	6.79	-114.57
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1	REAL300000370434	0	35	-2.0	-121.49	329.06	6.74	-114.75
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1	REAL300000370435	0	35	-2.0	-115.93	335.48	6.79	-109.14
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1C	REAL300000370436	1	47	-2.0	-126.26	386.17	9.36	-116.90
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(C)=C1	REAL300000370437	1	44	-2.0	-124.64	374.20	9.00	-115.64
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1	REAL300000370438	0	35	-2.0	-118.53	339.39	7.18	-111.35
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300000370439	0	37	-2.0	-113.67	350.89	7.32	-106.35
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300000370440	0	35	-2.0	-124.81	322.65	6.67	-118.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)S1	REAL300000370441	0	35	-2.0	-124.56	336.48	6.45	-118.11
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1	REAL300000370442	0	35	-2.0	-122.27	334.55	6.79	-115.48
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1	REAL300000370443	0	39	-2.0	-119.09	358.40	3.49	-115.60
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370444	0	39	-2.0	-124.04	362.86	7.67	-116.37
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1	REAL300000370445	0	40	-2.0	-120.37	364.70	5.10	-115.27
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370446	0	34	-3.0	-209.36	344.30	6.24	-203.12
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370448	0	41	-2.0	-125.41	360.27	5.73	-119.68
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370449	0	39	-2.0	-124.32	357.16	3.44	-120.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370450	1	41	-2.0	-125.53	365.56	8.09	-117.44
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1	REAL300000370451	0	41	-2.0	-130.58	368.60	8.95	-121.63
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370452	1	47	-2.0	-125.40	403.82	9.33	-116.07
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300000370453	1	35	-2.0	-117.80	329.06	6.73	-111.07
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2F)C=C1	REAL300000370454	0	35	-2.0	-129.16	328.14	6.73	-122.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(Cl)=C1	REAL300000370455	0	38	-2.0	-124.11	357.20	7.88	-116.23
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370456	1	38	-2.0	-116.45	344.54	7.51	-108.94
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1	REAL300000370457	0	35	-2.0	-116.26	342.19	7.29	-108.97
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1C(=O)[O-]	REAL300000370459	0	38	-3.0	-214.68	357.77	6.56	-208.12
CN1C=C(S(=O)(=O)NC2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1C(=O)[O-]	REAL300000370459	1	39	-2.0	-136.15	357.56	6.69	-129.46
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1Cl	REAL300000370460	0	35	-2.0	-131.29	340.13	6.23	-125.06
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1C(N)=O	REAL300000370461	0	40	-2.0	-123.25	364.60	2.82	-120.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1F	REAL300000370462	0	39	-2.0	-122.24	358.37	6.02	-116.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1C	REAL300000370463	1	42	-2.0	-125.55	372.24	6.69	-118.86
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=N1	REAL300000370464	0	35	-2.0	-123.01	327.21	4.36	-118.65
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370466	0	38	-2.0	-118.17	354.88	7.96	-110.21
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1	REAL300000370467	0	39	-2.0	-128.37	361.02	7.04	-121.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1Cl	REAL300000370468	0	38	-2.0	-122.69	358.12	7.77	-114.92
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1	REAL300000370469	0	35	-2.0	-126.96	344.32	7.23	-119.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1F	REAL300000370470	0	38	-2.0	-122.87	349.38	7.36	-115.51
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370471	1	38	-2.0	-117.10	354.87	7.95	-109.15
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370472	0	38	-2.0	-130.01	349.57	7.40	-122.61
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370473	0	38	-2.0	-117.95	344.55	7.51	-110.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=CS1	REAL300000370474	0	34	-3.0	-210.18	342.77	6.26	-203.92
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=CS1	REAL300000370474	1	35	-2.0	-135.96	342.31	6.35	-129.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(C)=C1	REAL300000370475	1	42	-2.0	-123.20	367.61	6.74	-116.46
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370476	0	39	-2.0	-129.15	353.76	5.01	-124.14
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CNN=C2)C=C1	REAL300000370477	0	32	-2.0	-119.49	304.24	3.05	-116.44
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1	REAL300000370478	0	39	-2.0	-118.44	360.47	7.04	-111.40
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1	REAL300000370479	0	35	-2.0	-121.02	337.56	7.01	-114.01
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C(C(=O)[O-])O1	REAL300000370480	0	37	-3.0	-204.69	354.13	6.36	-198.33
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1	REAL300000370481	0	38	-2.0	-144.54	350.85	5.86	-138.68
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1	REAL300000370482	0	34	-2.0	-116.76	324.06	4.94	-111.82
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1	REAL300000370483	0	40	-2.0	-126.37	358.82	7.09	-119.28
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370484	0	35	-2.0	-132.75	326.67	5.76	-126.99
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CC(C(=O)[O-])=N3)C=C12	REAL300000370485	0	39	-2.0	-119.00	362.41	3.64	-115.36
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=N1	REAL300000370486	0	35	-2.0	-113.57	338.61	5.19	-108.38
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1	REAL300000370487	0	35	-2.0	-129.23	334.43	6.79	-122.44
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=CN1C	REAL300000370488	0	38	-2.0	-137.32	347.20	5.57	-131.75
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=N1	REAL300000370489	0	38	-2.0	-123.75	348.74	5.24	-118.51
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370490	0	42	-2.0	-126.24	377.72	6.39	-119.85
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1	REAL300000370491	0	40	-2.0	-125.71	358.63	5.96	-119.75
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1	REAL300000370492	0	35	-2.0	-117.06	342.19	7.30	-109.76
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)CCOCC(F)(F)F)C=C1	REAL300000370493	1	38	-2.0	-119.73	360.97	4.89	-114.84
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CC(C(=O)[O-])=N3)=CC=C2O1	REAL300000370494	1	43	-2.0	-126.67	379.57	7.26	-119.41
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370495	0	35	-2.0	-121.30	323.07	3.71	-117.59
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370496	0	39	-2.0	-127.77	352.15	5.97	-121.80
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370497	1	38	-2.0	-123.05	338.14	7.44	-115.61
CN1C=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=N1	REAL300000370499	0	35	-2.0	-131.97	327.50	4.20	-127.77
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370500	0	35	-2.0	-120.29	321.87	4.34	-115.95
COCCS(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370501	1	35	-2.0	-119.85	319.55	3.47	-116.38
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)CC2CCCO2)C=C1	REAL300000370502	1	39	-2.0	-124.73	342.00	4.87	-119.86
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)CC2CCCCO2)C=C1	REAL300000370503	1	42	-2.0	-124.46	359.51	5.94	-118.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000370506	0	38	-2.0	-130.07	349.57	7.39	-122.68
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=CC=C1F	REAL300000370507	1	38	-2.0	-119.32	349.38	7.35	-111.97
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CNC=N2)C=C1	REAL300000370508	0	32	-2.0	-129.94	303.96	4.05	-125.89
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)O1	REAL300000370509	0	38	-2.0	-122.60	362.20	5.46	-117.14
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1	REAL300000370510	0	40	-2.0	-137.22	362.60	7.29	-129.93
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1	REAL300000370511	0	35	-2.0	-115.03	340.85	6.83	-108.20
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=CN=C1Cl	REAL300000370512	0	37	-2.0	-118.57	353.33	5.89	-112.68
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)SC=C1	REAL300000370514	0	35	-2.0	-123.30	330.89	6.48	-116.82
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1C	REAL300000370515	0	44	-2.0	-125.98	381.17	6.57	-119.41
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370518	0	39	-2.0	-115.16	358.93	7.83	-107.33
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370519	0	39	-2.0	-114.20	358.90	7.81	-106.39
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000370521	0	36	-2.0	-119.29	348.96	7.12	-112.17
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CC(C(=O)[O-])=N3)C=C2O1	REAL300000370522	0	40	-2.0	-126.55	366.30	4.33	-122.22
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=N1	REAL300000370523	0	41	-2.0	-125.34	367.42	5.76	-119.58
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1	REAL300000370525	0	40	-2.0	-128.81	363.62	7.06	-121.75
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=CN1	REAL300000370526	0	41	-2.0	-136.50	366.63	5.09	-131.41
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300000370529	0	35	-2.0	-110.69	341.65	6.84	-103.85
CC(C)OCCS(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370530	1	41	-2.0	-121.20	361.67	5.17	-116.03
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=CC(C)=C1F	REAL300000370531	1	41	-2.0	-120.88	369.70	7.99	-112.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)S1	REAL300000370532	0	34	-3.0	-204.50	343.38	6.35	-198.15
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370533	0	44	-2.0	-132.42	387.20	7.63	-124.79
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=CN1	REAL300000370534	0	39	-2.0	-125.04	366.06	5.01	-120.03
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370535	0	38	-2.0	-121.73	343.04	7.47	-114.26
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)S1	REAL300000370536	0	37	-2.0	-123.55	347.89	5.24	-118.31
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370537	0	39	-2.0	-124.78	364.91	7.83	-116.95
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370538	0	41	-2.0	-126.59	365.55	8.10	-118.49
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370539	0	38	-2.0	-122.63	350.48	7.40	-115.23
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C(F)C=C1F	REAL300000370541	0	38	-2.0	-122.58	354.85	7.41	-115.17
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1	REAL300000370542	0	41	-2.0	-130.86	363.71	8.98	-121.88
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1	REAL300000370543	1	45	-2.0	-127.26	377.98	9.30	-117.96
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)SC=C1	REAL300000370545	0	36	-2.0	-126.70	342.41	4.88	-121.82
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000370546	0	38	-2.0	-132.65	352.42	7.05	-125.60
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370547	0	35	-2.0	-118.08	337.63	5.62	-112.46
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)N=C1Cl	REAL300000370548	0	35	-2.0	-128.60	342.85	5.50	-123.10
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1	REAL300000370549	0	36	-2.0	-130.85	338.50	5.39	-125.46
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370550	0	36	-2.0	-115.91	344.88	4.48	-111.43
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)S1	REAL300000370551	0	34	-2.0	-122.65	331.19	4.49	-118.16
COCCOCCS(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370552	1	42	-2.0	-124.28	375.03	3.69	-120.59
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1F	REAL300000370553	0	38	-2.0	-123.19	354.87	7.42	-115.77
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1CC	REAL300000370554	1	47	-2.0	-129.05	399.73	9.22	-119.83
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370556	0	41	-2.0	-133.79	368.10	7.05	-126.74
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370557	0	43	-2.0	-133.76	385.75	7.92	-125.84
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=N1	REAL300000370558	0	42	-2.0	-122.25	382.41	4.28	-117.97
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1C#N	REAL300000370560	0	39	-2.0	-130.26	359.91	7.44	-122.82
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370561	0	41	-2.0	-134.32	370.14	7.40	-126.92
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1F	REAL300000370562	0	38	-2.0	-130.81	348.47	7.36	-123.45
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=N1	REAL300000370563	0	41	-2.0	-120.71	371.69	4.28	-116.43
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1	REAL300000370564	0	42	-2.0	-140.88	368.61	6.68	-134.20
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370565	0	42	-2.0	-128.88	377.74	6.38	-122.50
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370566	0	40	-2.0	-122.63	361.93	3.66	-118.97
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1Cl	REAL300000370567	0	38	-2.0	-124.63	354.52	7.79	-116.84
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C(C)O1	REAL300000370569	0	38	-2.0	-123.83	345.61	6.24	-117.59
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)C=C1	REAL300000370570	1	43	-2.0	-128.14	376.36	7.28	-120.86
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370571	0	42	-2.0	-124.53	369.27	6.70	-117.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)O1	REAL300000370572	0	35	-2.0	-127.02	327.26	5.48	-121.54
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370573	0	38	-2.0	-126.52	356.29	7.07	-119.45
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1	REAL300000370574	0	38	-2.0	-124.10	348.71	5.31	-118.79
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1	REAL300000370575	0	35	-2.0	-116.20	345.81	7.24	-108.96
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1	REAL300000370576	0	34	-2.0	-116.92	334.41	5.36	-111.56
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)N=C1C	REAL300000370577	0	41	-2.0	-136.75	368.27	6.46	-130.29
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370578	0	38	-2.0	-124.14	357.20	7.90	-116.24
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370579	0	38	-2.0	-125.66	362.54	5.40	-120.26
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1	REAL300000370580	0	35	-2.0	-126.34	338.71	7.45	-118.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(Cl)=N1	REAL300000370581	0	37	-2.0	-125.55	352.55	5.97	-119.58
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370582	0	40	-2.0	-119.70	371.70	6.86	-112.84
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)S1	REAL300000370583	0	37	-2.0	-122.77	352.67	5.24	-117.53
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1	REAL300000370584	0	38	-2.0	-133.41	350.58	6.98	-126.43
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370586	1	43	-2.0	-128.54	375.16	7.07	-121.47
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370588	0	35	-2.0	-119.05	351.65	6.89	-112.16
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1	REAL300000370589	0	38	-2.0	-129.57	356.82	7.60	-121.97
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1	REAL300000370590	0	38	-2.0	-119.38	361.73	5.52	-113.86
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370591	0	39	-2.0	-126.33	358.74	7.72	-118.61
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=CC=C1F	REAL300000370592	0	39	-2.0	-119.45	358.37	6.02	-113.43
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1	REAL300000370593	0	34	-2.0	-127.35	335.36	7.06	-120.29
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CO2)C=C1	REAL300000370594	0	32	-2.0	-124.78	305.34	4.66	-120.12
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370595	0	34	-2.0	-117.07	316.08	3.11	-113.96
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CC(C(=O)[O-])=N3)=CN=C21	REAL300000370596	0	40	-2.0	-122.61	367.01	5.79	-116.82
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1	REAL300000370597	0	34	-2.0	-114.49	343.83	6.43	-108.06
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1	REAL300000370598	0	39	-2.0	-136.87	350.79	6.09	-130.78
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370599	1	41	-2.0	-118.90	345.73	8.41	-110.49
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370602	0	38	-2.0	-123.65	347.23	4.14	-119.51
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370605	0	39	-2.0	-123.72	341.87	8.32	-115.40
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370606	0	39	-2.0	-124.21	364.91	7.82	-116.39
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370607	1	41	-2.0	-117.29	359.18	8.40	-108.89
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(N)=NO1	REAL300000370608	0	36	-2.0	-118.71	330.19	4.04	-114.67
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370609	0	42	-2.0	-124.53	367.63	6.74	-117.79
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)S1	REAL300000370611	0	33	-2.0	-114.09	335.17	6.21	-107.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=N1	REAL300000370612	0	37	-2.0	-123.71	339.26	5.48	-118.23
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1	REAL300000370613	0	40	-2.0	-129.11	363.86	7.02	-122.09
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=CC=C1C#N	REAL300000370614	0	39	-2.0	-116.18	362.64	7.55	-108.63
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1	REAL300000370615	0	34	-2.0	-112.32	340.39	5.35	-106.97
COC(C)CS(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370616	1	38	-2.0	-122.19	338.66	4.41	-117.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000370617	0	39	-2.0	-128.74	357.64	6.02	-122.72
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)C=C1	REAL300000370618	1	41	-2.0	-127.38	368.36	7.18	-120.20
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1	REAL300000370619	0	38	-2.0	-124.61	354.85	7.52	-117.09
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)N(C)N=C1	REAL300000370621	0	38	-2.0	-121.15	339.52	5.12	-116.03
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)O1	REAL300000370622	0	33	-2.0	-117.05	326.59	5.21	-111.84
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC=C2)C=C1	REAL300000370623	0	32	-2.0	-120.37	313.76	5.57	-114.80
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=COC=C2)C=C1	REAL300000370624	0	32	-2.0	-121.92	305.19	4.55	-117.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=N1	REAL300000370625	0	38	-2.0	-120.16	349.83	3.35	-116.81
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1	REAL300000370626	0	35	-2.0	-122.65	344.88	7.23	-115.42
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370627	0	46	-2.0	-125.32	399.35	8.12	-117.20
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC3=CC=CC=C32)C=C1	REAL300000370628	0	38	-2.0	-125.53	359.21	8.02	-117.51
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1	REAL300000370629	0	38	-2.0	-128.41	349.26	5.29	-123.12
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370630	0	42	-2.0	-128.26	374.02	6.88	-121.38
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370631	0	41	-2.0	-151.76	367.07	4.25	-147.51
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1	REAL300000370632	0	32	-2.0	-116.33	328.22	6.05	-110.28
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370633	0	35	-2.0	-123.61	336.23	6.33	-117.28
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CNN=C2Cl)C=C1	REAL300000370634	0	32	-2.0	-121.10	320.94	3.46	-117.64
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1	REAL300000370635	0	34	-2.0	-123.23	329.56	4.77	-118.46
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)C=C1	REAL300000370636	1	43	-2.0	-124.55	383.18	7.62	-116.93
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370637	0	34	-2.0	-119.91	331.15	4.96	-114.95
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)N=S2(=O)CCCC2)C=C1	REAL300000370639	0	39	-2.0	-153.45	353.81	3.94	-149.51
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1	REAL300000370640	1	42	-2.0	-126.28	371.88	8.78	-117.50
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(F)C=CS2)C=C1	REAL300000370641	0	32	-2.0	-117.71	318.52	5.64	-112.07
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1F	REAL300000370642	0	36	-2.0	-112.93	349.37	7.09	-105.84
COCC1(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)CC1	REAL300000370643	1	39	-2.0	-115.77	342.16	5.79	-109.98
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370644	0	35	-2.0	-149.64	328.01	2.59	-147.05
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=NC=CN2)C=C1	REAL300000370645	0	32	-2.0	-126.60	304.28	3.24	-123.36
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1	REAL300000370646	0	40	-2.0	-129.28	359.65	3.56	-125.72
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)S1	REAL300000370647	0	38	-2.0	-125.40	352.77	7.29	-118.11
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1	REAL300000370648	0	36	-2.0	-114.19	346.04	5.52	-108.67
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370649	0	37	-2.0	-117.70	350.21	6.04	-111.66
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=NN1C	REAL300000370653	0	38	-2.0	-120.84	343.32	4.90	-115.94
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370654	1	39	-2.0	-126.33	353.74	7.75	-118.58
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370655	0	38	-2.0	-125.43	346.04	5.02	-120.41
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370656	0	35	-2.0	-114.05	338.52	5.25	-108.80
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370657	1	43	-2.0	-126.60	370.94	6.62	-119.98
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1	REAL300000370659	0	40	-2.0	-129.93	358.47	6.51	-123.42
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370661	0	38	-2.0	-122.74	349.78	8.16	-114.58
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1	REAL300000370662	0	40	-2.0	-132.57	358.91	6.48	-126.09
CCC(CS(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1)OC	REAL300000370663	1	41	-2.0	-122.20	357.78	5.18	-117.02
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370664	1	47	-2.0	-123.13	392.99	6.23	-116.90
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)CCOCC2CC2)C=C1	REAL300000370665	1	42	-2.0	-121.33	373.07	6.01	-115.32
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000370666	0	38	-2.0	-130.89	352.57	7.61	-123.28
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CC(C(=O)[O-])=N3)=CC=C21	REAL300000370667	0	40	-2.0	-125.14	366.51	5.11	-120.03
COC(CS(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1)C1CC1	REAL300000370668	1	42	-2.0	-123.89	365.46	6.03	-117.86
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370669	0	39	-2.0	-123.67	357.32	6.52	-117.15
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370670	0	34	-2.0	-117.83	319.60	4.61	-113.22
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=CC=C1Cl	REAL300000370671	0	38	-2.0	-120.23	358.12	7.75	-112.48
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1	REAL300000370672	0	41	-2.0	-133.78	370.78	7.64	-126.14
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370673	0	40	-2.0	-143.48	364.41	2.60	-140.88
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CN=C2F)C=C1	REAL300000370674	0	34	-2.0	-129.93	323.17	4.83	-125.10
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1	REAL300000370677	0	34	-2.0	-115.82	324.06	4.82	-111.00
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)CCOCC2CCC2)C=C1	REAL300000370678	1	45	-2.0	-121.56	389.64	6.54	-115.02
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=CS1	REAL300000370679	0	33	-2.0	-124.21	333.06	6.05	-118.16
COC(CS(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1)C(C)C	REAL300000370681	1	44	-2.0	-123.05	372.41	5.97	-117.08
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1	REAL300000370682	0	35	-2.0	-115.99	345.25	7.22	-108.77
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1	REAL300000370683	0	43	-2.0	-132.40	374.84	7.85	-124.55
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(=O)NC1=O	REAL300000370688	0	38	-2.0	-130.12	351.06	3.36	-126.76
CCOC(CS(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1)C1CC1	REAL300000370689	1	45	-2.0	-124.35	386.07	7.00	-117.35
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)N1C	REAL300000370690	0	38	-2.0	-125.63	342.02	5.64	-119.99
COC(CS(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1)C1CCCC1	REAL300000370691	1	48	-2.0	-122.93	396.32	7.00	-115.93
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1	REAL300000370692	0	38	-2.0	-125.08	362.41	6.15	-118.93
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1	REAL300000370693	0	34	-2.0	-123.81	340.02	5.27	-118.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(F)=C1F	REAL300000370694	0	38	-2.0	-130.66	354.74	7.45	-123.21
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=N1	REAL300000370695	0	37	-2.0	-134.09	349.75	5.65	-128.44
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000370696	0	36	-3.0	-213.52	347.33	5.35	-208.17
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370697	0	39	-2.0	-120.95	350.56	6.86	-114.09
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370698	0	36	-2.0	-113.52	349.90	7.13	-106.39
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1	REAL300000370699	0	37	-2.0	-124.52	345.93	5.70	-118.82
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1	REAL300000370699	1	37	-2.0	-135.94	345.83	5.84	-130.10
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CNC3=CC=CC=C32)C=C1	REAL300000370700	0	39	-2.0	-131.72	356.40	6.62	-125.10
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1	REAL300000370702	0	36	-2.0	-115.95	338.84	4.43	-111.52
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1	REAL300000370702	1	35	-3.0	-230.33	335.28	5.29	-225.04
O=C([O-])C1=NN(C2=CC=CC=C2NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1	REAL300000370702	1	36	-2.0	-127.90	332.58	4.86	-123.04
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370703	1	45	-2.0	-124.91	399.87	9.43	-115.48
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370704	0	41	-2.0	-120.80	357.88	5.84	-114.96
NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=N1	REAL300000370705	0	35	-2.0	-119.44	327.86	4.00	-115.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(C#N)=C1	REAL300000370706	0	39	-2.0	-128.22	362.16	7.59	-120.63
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370707	0	39	-2.0	-123.47	354.14	7.87	-115.60
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1	REAL300000370708	0	42	-2.0	-125.99	386.41	8.61	-117.38
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370709	0	35	-2.0	-117.94	341.90	2.47	-115.47
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)O1	REAL300000370710	1	48	-2.0	-126.91	394.70	6.87	-120.04
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=NS2)C=C1	REAL300000370711	0	31	-2.0	-118.27	309.40	4.36	-113.91
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C(C(N)=O)O1	REAL300000370713	0	39	-2.0	-120.49	362.16	2.28	-118.21
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370714	1	44	-2.0	-117.84	367.23	9.18	-108.66
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1	REAL300000370715	0	35	-2.0	-122.30	336.73	6.79	-115.51
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1	REAL300000370717	0	40	-2.0	-131.79	358.90	7.17	-124.62
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1F	REAL300000370718	0	36	-2.0	-127.11	348.48	7.08	-120.03
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)N=N1	REAL300000370719	0	34	-2.0	-128.86	321.45	2.99	-125.87
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1	REAL300000370720	0	42	-2.0	-126.77	372.56	6.35	-120.42
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1	REAL300000370721	0	42	-2.0	-124.56	369.95	6.54	-118.02
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1	REAL300000370722	0	42	-2.0	-135.08	367.04	6.68	-128.40
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370723	0	38	-2.0	-120.18	345.55	7.35	-112.83
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CC(C(=O)[O-])=N3)=C2O1	REAL300000370724	0	43	-2.0	-134.52	380.12	7.25	-127.27
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC=C2Cl)C=C1	REAL300000370725	0	32	-2.0	-119.06	328.09	6.10	-112.96
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370726	0	40	-2.0	-141.09	363.34	6.26	-134.83
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370727	0	37	-2.0	-118.09	336.58	3.99	-114.10
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1	REAL300000370729	0	36	-2.0	-114.96	337.54	5.45	-109.51
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1	REAL300000370730	0	38	-2.0	-129.98	361.50	8.10	-121.88
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370731	0	42	-2.0	-125.37	373.59	6.43	-118.94
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=COC3=CC=CC=C32)C=C1	REAL300000370732	0	38	-2.0	-127.80	352.43	6.94	-120.86
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(C2CC2)=N1	REAL300000370733	0	42	-2.0	-125.91	375.66	6.52	-119.39
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CC(C(=O)[O-])=N3)C=CC=C21	REAL300000370734	0	40	-2.0	-141.47	367.20	5.06	-136.41
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CC(C(=O)[O-])=N3)=C21	REAL300000370735	0	42	-2.0	-121.89	360.47	8.70	-113.19
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=CN=C1N	REAL300000370736	0	39	-2.0	-125.79	350.69	4.36	-121.43
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370737	0	35	-2.0	-123.39	339.95	2.53	-120.86
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)N=CN1	REAL300000370738	0	35	-2.0	-131.42	321.77	4.76	-126.66
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1	REAL300000370740	0	32	-2.0	-118.99	328.46	6.20	-112.79
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1	REAL300000370741	0	39	-2.0	-127.20	359.40	7.86	-119.34
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370742	0	44	-2.0	-126.63	387.05	8.88	-117.75
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370743	0	36	-2.0	-121.21	347.17	7.02	-114.19
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370744	0	42	-2.0	-127.68	367.33	6.24	-121.44
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370746	1	41	-2.0	-123.29	352.44	8.35	-114.94
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370747	0	44	-2.0	-120.84	369.65	6.57	-114.27
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=N1	REAL300000370748	0	44	-2.0	-126.76	387.15	6.38	-120.38
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1	REAL300000370749	0	42	-2.0	-123.77	371.21	5.74	-118.03
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1	REAL300000370750	0	38	-2.0	-127.33	350.66	7.47	-119.86
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370751	0	38	-2.0	-122.20	344.83	4.88	-117.32
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1C	REAL300000370753	1	41	-2.0	-124.49	355.14	7.96	-116.53
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1	REAL300000370754	0	38	-2.0	-126.12	342.27	8.01	-118.11
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1	REAL300000370755	0	42	-2.0	-127.65	371.89	8.76	-118.89
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=CS1	REAL300000370756	0	36	-2.0	-125.63	344.92	5.09	-120.54
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370757	0	44	-2.0	-123.75	382.63	6.53	-117.22
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CC(C(=O)[O-])=N3)C2=N1	REAL300000370759	0	40	-2.0	-135.51	366.26	5.02	-130.49
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)O1	REAL300000370760	0	38	-2.0	-127.26	348.74	6.27	-120.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)S1	REAL300000370761	0	36	-2.0	-122.55	346.45	5.11	-117.44
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1	REAL300000370762	0	38	-2.0	-120.34	355.33	5.37	-114.97
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1	REAL300000370763	0	38	-2.0	-125.32	344.35	7.59	-117.73
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1	REAL300000370764	0	38	-2.0	-132.53	348.16	7.05	-125.48
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=N1	REAL300000370765	0	37	-2.0	-125.74	343.37	3.54	-122.20
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1Cl	REAL300000370766	0	38	-2.0	-118.70	364.33	5.59	-113.11
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1	REAL300000370767	0	32	-2.0	-120.39	322.41	5.28	-115.11
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1	REAL300000370769	0	39	-2.0	-126.86	366.48	7.97	-118.89
CC1=COC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370770	0	35	-2.0	-126.13	327.25	5.33	-120.80
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1	REAL300000370771	0	34	-2.0	-111.80	340.29	5.30	-106.50
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370772	0	41	-2.0	-128.44	366.06	6.65	-121.79
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3N3C=CC(C(=O)[O-])=N3)=CC=C21	REAL300000370773	0	42	-2.0	-134.55	376.38	8.42	-126.13
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1Cl	REAL300000370774	0	35	-2.0	-117.82	342.52	4.70	-113.12
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)OC=C1	REAL300000370775	0	33	-2.0	-119.49	326.82	5.11	-114.38
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370776	0	37	-2.0	-113.51	350.41	6.04	-107.47
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(=O)NC(=O)N1	REAL300000370777	0	38	-2.0	-129.02	345.72	2.37	-126.65
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1	REAL300000370779	0	32	-2.0	-120.89	321.42	5.16	-115.73
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1	REAL300000370780	0	32	-2.0	-117.99	331.47	6.18	-111.81
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1	REAL300000370781	0	42	-2.0	-123.01	364.16	8.75	-114.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C(C)=N1	REAL300000370783	0	41	-2.0	-120.47	365.50	4.10	-116.37
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370784	0	41	-2.0	-130.03	370.07	4.48	-125.55
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C1C	REAL300000370785	0	41	-2.0	-122.03	369.97	4.08	-117.95
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=N1	REAL300000370786	0	44	-2.0	-124.26	390.08	6.75	-117.51
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370787	0	44	-2.0	-127.11	388.07	6.32	-120.79
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=CO1	REAL300000370788	0	33	-2.0	-124.25	325.62	5.07	-119.18
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)SC=C1	REAL300000370789	0	33	-2.0	-114.91	332.65	5.93	-108.98
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=CC(C(=O)[O-])=N1	REAL300000370790	0	41	-2.0	-123.09	364.38	5.92	-117.17
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1	REAL300000370791	0	42	-2.0	-121.37	374.87	6.78	-114.59
COC1=NOC(CS(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370792	0	38	-2.0	-116.25	353.71	2.99	-113.26
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=NN1C(C)C	REAL300000370793	0	44	-2.0	-122.51	387.15	6.40	-116.11
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1	REAL300000370794	0	37	-2.0	-124.92	351.89	5.78	-119.14
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1	REAL300000370796	0	36	-2.0	-126.77	333.67	3.81	-122.96
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSN=C2)C=C1	REAL300000370797	0	31	-2.0	-115.77	308.31	4.26	-111.51
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)C=C(Cl)S1	REAL300000370798	0	35	-2.0	-114.39	349.20	7.05	-107.34
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN=CS2)C=C1	REAL300000370799	0	31	-2.0	-120.20	309.24	3.76	-116.44
O=C([O-])C1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1	REAL300000370800	0	42	-2.0	-124.64	368.38	5.98	-118.66
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=CC(C(=O)[O-])=N2)=C1	REAL300000370801	0	38	-2.0	-130.01	349.57	7.40	-122.61
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1	REAL300000370802	0	36	-2.0	-85.80	348.91	1.34	-84.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CC=C1F	REAL300000370803	0	29	-2.0	-102.68	296.97	2.78	-99.90
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1O	REAL300000370804	0	37	-2.0	-101.85	352.06	3.85	-98.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1	REAL300000370805	0	29	-2.0	-92.01	292.43	2.76	-89.25
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370806	0	29	-2.0	-103.36	292.44	2.75	-100.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1O	REAL300000370807	0	33	-2.0	-108.27	320.58	2.55	-105.72
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1	REAL300000370808	0	33	-2.0	-91.68	323.90	4.05	-87.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000370809	0	32	-2.0	-104.29	308.46	3.29	-101.00
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370810	0	29	-2.0	-98.92	305.51	3.34	-95.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CC=C1Cl	REAL300000370811	0	29	-2.0	-100.91	304.95	3.15	-97.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C(Cl)C=C1Cl	REAL300000370812	0	29	-2.0	-94.60	318.01	3.71	-90.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1C	REAL300000370813	0	35	-2.0	-105.47	325.55	4.08	-101.39
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370814	0	29	-2.0	-100.69	297.92	2.82	-97.87
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1	REAL300000370815	0	35	-2.0	-90.99	336.02	4.33	-86.66
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370816	0	26	-2.0	-98.10	285.62	1.78	-96.32
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1O	REAL300000370817	0	32	-2.0	-103.62	307.88	3.53	-100.09
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1	REAL300000370818	0	33	-2.0	-90.31	323.52	3.04	-87.27
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000370819	0	30	-2.0	-103.20	299.09	2.10	-101.10
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1O	REAL300000370820	0	33	-2.0	-106.07	316.22	1.59	-104.48
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370821	0	29	-2.0	-95.22	301.57	2.43	-92.79
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000370822	0	35	-2.0	-106.64	323.90	4.06	-102.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CS1	REAL300000370823	0	26	-2.0	-99.37	284.09	1.79	-97.58
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CC(C(=O)[O-])=C1OC	REAL300000370824	0	37	-2.0	-105.47	350.77	2.56	-102.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000370825	0	33	-2.0	-110.78	319.73	2.82	-107.96
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370826	0	39	-2.0	-107.41	347.68	5.38	-102.03
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1O	REAL300000370827	0	38	-2.0	-105.71	346.34	4.76	-100.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1O	REAL300000370828	0	35	-2.0	-103.73	322.57	4.47	-99.26
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1O	REAL300000370829	0	36	-2.0	-108.89	342.87	3.32	-105.57
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370830	0	31	-3.0	-178.93	320.85	3.32	-175.61
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(Cl)=C2O)=C1	REAL300000370830	1	32	-2.0	-104.29	320.81	3.26	-101.03
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370831	0	36	-2.0	-107.79	336.69	4.65	-103.14
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C(C(=O)[O-])O1	REAL300000370832	0	29	-2.0	-97.45	295.45	1.89	-95.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CC2=C1OCCO2	REAL300000370833	0	35	-2.0	-109.58	334.61	2.53	-107.05
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370834	0	33	-2.0	-104.52	321.36	1.83	-102.69
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3O)C=C2C1	REAL300000370835	0	37	-2.0	-90.25	345.37	3.35	-86.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CC(Cl)=C1Cl	REAL300000370836	0	29	-2.0	-94.59	320.12	3.59	-91.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C(Cl)C=C1F	REAL300000370837	0	29	-2.0	-95.83	310.03	3.34	-92.49
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1Cl	REAL300000370838	0	33	-2.0	-88.82	339.54	3.58	-85.24
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CC=C1OCC(=O)[O-]	REAL300000370839	0	36	-2.0	-90.71	343.60	3.74	-86.97
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1O	REAL300000370840	0	32	-2.0	-94.72	313.16	3.57	-91.15
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CC=C1OCCCC(=O)[O-]	REAL300000370841	0	42	-2.0	-90.85	386.05	4.67	-86.18
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1F	REAL300000370842	0	33	-2.0	-89.76	329.73	3.10	-86.66
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000370843	0	36	-2.0	-109.71	341.59	3.73	-105.98
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C(C(=O)[O-])S1	REAL300000370844	0	29	-2.0	-101.95	302.14	2.63	-99.32
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370845	0	29	-2.0	-93.04	320.67	3.77	-89.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C(Cl)=C1	REAL300000370846	0	29	-2.0	-89.59	305.49	3.32	-86.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1F	REAL300000370847	0	29	-2.0	-91.48	296.95	2.79	-88.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)S1	REAL300000370848	0	26	-2.0	-93.96	284.70	1.87	-92.09
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370849	0	29	-2.0	-94.59	298.86	2.81	-91.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1F	REAL300000370850	0	32	-2.0	-101.91	318.19	3.45	-98.46
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000370851	0	33	-2.0	-94.14	332.74	3.38	-90.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C(F)=C1	REAL300000370852	0	29	-2.0	-91.61	297.90	2.82	-88.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1Cl	REAL300000370853	0	29	-2.0	-89.61	304.93	3.15	-86.46
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1	REAL300000370855	0	37	-2.0	-88.54	356.18	4.16	-84.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CC(F)=C1F	REAL300000370856	0	29	-2.0	-94.20	303.27	2.84	-91.36
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370857	0	31	-2.0	-89.97	320.63	3.41	-86.56
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370858	0	30	-2.0	-102.45	302.15	0.47	-101.98
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1	REAL300000370859	0	32	-2.0	-96.43	314.62	3.53	-92.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CC(Cl)=C1F	REAL300000370860	0	29	-2.0	-95.62	313.15	3.27	-92.35
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1O	REAL300000370861	0	32	-2.0	-101.20	302.48	3.38	-97.82
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CC(C(=O)[O-])=C1F	REAL300000370862	0	32	-2.0	-102.17	317.28	3.39	-98.78
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1O	REAL300000370863	0	32	-2.0	-91.97	307.85	3.52	-88.45
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CC(C(=O)[O-])=C1C	REAL300000370864	0	35	-2.0	-107.79	325.91	3.83	-103.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CC=C1[N+](=O)[O-]	REAL300000370865	0	31	-2.0	-103.71	319.00	3.85	-99.86
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370866	0	29	-2.0	-92.74	304.17	2.88	-89.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C(C)=C1C(=O)[O-]	REAL300000370867	0	35	-2.0	-105.41	326.92	4.14	-101.27
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000370868	0	32	-2.0	-101.61	313.92	3.35	-98.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1Cl	REAL300000370869	0	32	-2.0	-100.54	324.22	3.89	-96.65
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1	REAL300000370870	0	32	-2.0	-110.11	317.45	3.44	-106.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000370871	0	35	-2.0	-104.94	326.76	3.94	-101.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1CC(=O)[O-]	REAL300000370872	0	36	-2.0	-104.94	342.91	2.88	-102.06
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1O	REAL300000370873	0	32	-2.0	-93.30	318.70	3.93	-89.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1C(F)(F)F	REAL300000370874	0	32	-2.0	-88.50	322.55	3.57	-84.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000370875	0	32	-2.0	-100.88	323.66	3.70	-97.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000370876	0	33	-2.0	-103.07	320.39	2.95	-100.12
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C(C)=C1CC(=O)[O-]	REAL300000370877	0	41	-2.0	-103.74	357.59	5.62	-98.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C(F)C(Cl)=C1F	REAL300000370878	0	29	-2.0	-91.56	318.04	3.31	-88.25
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000370879	0	32	-2.0	-98.17	322.31	3.71	-94.46
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C(C(=O)[O-])S1	REAL300000370880	0	38	-2.0	-101.80	341.88	4.88	-96.92
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000370881	0	33	-2.0	-104.22	332.76	3.39	-100.83
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=CC=C1C(=O)[O-]	REAL300000370882	0	32	-2.0	-92.22	308.45	3.30	-88.92
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)C([N+](=O)[O-])=C1	REAL300000370883	0	34	-2.0	-96.48	335.70	4.94	-91.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1[N+](=O)[O-]	REAL300000370885	0	31	-2.0	-112.62	316.16	4.60	-108.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2O)=C1F	REAL300000370886	0	29	-2.0	-109.49	296.08	2.77	-106.72
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3O)C=C2C1	REAL300000370893	0	36	-2.0	-101.91	336.52	4.61	-97.30
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)(C)O)C=C1	REAL300000370898	0	46	-2.0	-112.98	396.89	3.43	-109.55
CC(C)(O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000370904	0	39	-2.0	-101.80	362.12	2.87	-98.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)(C)O)C=C2)C=C(C(=O)[O-])O1	REAL300000370914	0	42	-2.0	-102.38	371.08	2.59	-99.79
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCC(C)(C)O)C=C2)=C1	REAL300000370915	0	46	-2.0	-109.99	397.72	2.73	-107.26
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)(C)O)C=C1	REAL300000370916	1	45	-2.0	-99.08	389.46	4.45	-94.63
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)(C)O)C=C2)C=C(C(=O)[O-])S1	REAL300000370917	1	42	-2.0	-106.05	376.68	3.34	-102.71
CC(C)(O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000370918	1	42	-2.0	-94.12	381.99	4.42	-89.70
CC(C)(O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000370920	0	39	-2.0	-96.77	361.20	2.97	-93.80
CC(C)(O)COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000370921	1	42	-2.0	-99.84	375.35	3.92	-95.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCC(C)(C)O)C=C2)=C1F	REAL300000370922	0	45	-2.0	-108.05	394.70	4.56	-103.49
CC(C)(O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000370923	0	42	-2.0	-95.84	374.21	3.71	-92.13
CC(C)(O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000370925	0	43	-2.0	-107.44	378.65	1.57	-105.87
CC(C)(O)COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000370925	1	43	-2.0	-108.10	377.65	2.14	-105.96
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)(C)O)C=C2)C=C1C(=O)[O-]	REAL300000370932	0	45	-2.0	-107.74	390.42	4.45	-103.29
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC(C)(C)O)C=C2)=C1	REAL300000370933	0	45	-2.0	-112.06	393.06	4.15	-107.91
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)(C)O)C=C2)C=C1C(=O)[O-]	REAL300000370935	1	46	-2.0	-107.25	396.96	4.08	-103.17
CC(C)(O)COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000370938	0	42	-2.0	-111.65	372.41	3.66	-107.99
CC(C)(O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000370940	0	41	-2.0	-106.69	364.97	1.75	-104.94
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC(C)(C)O)C=C1	REAL300000370941	0	46	-2.0	-99.34	397.15	3.65	-95.69
CC(C)(O)COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000370942	0	39	-2.0	-95.36	368.91	2.61	-92.75
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(C)(C)O)C=C2)C=C(C(=O)[O-])O1	REAL300000370943	0	45	-2.0	-101.40	391.07	3.85	-97.55
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=C(C)ON=C3C)C=C2F)N=C1	REAL300000370944	0	40	-2.0	-112.74	359.72	6.03	-106.71
CC1=CN(C2=C(F)C=C([N-]S(=O)(=O)C3=CC(C)=CC=C3)C(C(=O)[O-])=C2)N=C1	REAL300000370945	1	41	-2.0	-123.98	368.07	7.73	-116.25
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=CS3)C=C2F)N=C1	REAL300000370946	0	35	-2.0	-120.50	338.57	6.07	-114.43
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=CC(F)=C3)C=C2F)N=C1	REAL300000370948	1	38	-2.0	-119.10	353.05	7.13	-111.97
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2F)N=C1	REAL300000370949	1	38	-2.0	-123.02	346.63	7.07	-115.95
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=C(C)S3)C=C2F)N=C1	REAL300000370951	0	38	-2.0	-121.97	360.46	6.87	-115.10
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=CC=C3F)C=C2F)N=C1	REAL300000370954	0	38	-2.0	-127.84	352.14	7.13	-120.71
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CN(C)N=C3)C=C2F)N=C1	REAL300000370955	0	38	-2.0	-118.99	351.19	4.78	-114.21
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CNN=C3)C=C2F)N=C1	REAL300000370956	0	35	-2.0	-115.80	328.22	3.46	-112.34
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CN=CC(F)=C3)C=C2F)N=C1	REAL300000370957	0	37	-2.0	-112.77	348.07	5.34	-107.43
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CN(C)C=N3)C=C2F)N=C1	REAL300000370958	0	38	-2.0	-133.73	350.82	6.15	-127.58
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CN(C)C(C)=N3)C=C2F)N=C1	REAL300000370959	0	41	-2.0	-135.80	371.19	5.98	-129.82
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(N3C=C(C)C=N3)C=C2C(=O)[O-])C=N1	REAL300000370960	0	41	-2.0	-119.31	372.72	5.62	-113.69
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CNN=C3C)C=C2F)N=C1	REAL300000370961	0	38	-2.0	-116.91	347.05	4.12	-112.79
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=CC=C3C)C=C2F)N=C1	REAL300000370962	1	41	-2.0	-122.21	362.13	7.84	-114.37
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=NN(C)C=C3)C=C2F)N=C1	REAL300000370964	0	38	-2.0	-128.61	351.48	4.60	-124.01
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=NN3C)C=C2F)N=C1	REAL300000370965	0	38	-2.0	-114.44	346.90	4.70	-109.74
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CNC=N3)C=C2F)N=C1	REAL300000370970	0	35	-2.0	-131.35	328.11	4.44	-126.91
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=C(C)C=CS3)C=C2F)N=C1	REAL300000370972	0	38	-2.0	-121.88	354.87	6.89	-114.99
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CN=C(C)S3)C=C2F)N=C1	REAL300000370982	0	37	-2.0	-118.35	355.17	4.89	-113.46
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=C(C)OC(C)=C3)C=C2F)N=C1	REAL300000370986	0	41	-2.0	-119.34	369.59	6.64	-112.70
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=C(C)O3)C=C2F)N=C1	REAL300000370987	0	38	-2.0	-122.39	351.24	5.89	-116.50
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=CO3)C=C2F)N=C1	REAL300000370989	0	35	-2.0	-120.68	329.32	5.06	-115.62
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CN=NN3C)C=C2F)N=C1	REAL300000370990	0	37	-2.0	-108.85	340.06	3.53	-105.32
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=C(C)ON=C3N)C=C2F)N=C1	REAL300000370994	0	39	-2.0	-112.60	354.17	4.44	-108.16
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=C(C)N=C3)C=C2F)N=C1	REAL300000370996	0	40	-2.0	-119.75	363.24	5.89	-113.86
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=C(C)C=NN3C)C=C2F)N=C1	REAL300000370999	0	41	-2.0	-115.49	363.51	5.53	-109.96
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=C(C#N)O3)C=C2F)N=C1	REAL300000371000	0	36	-2.0	-112.98	350.57	5.61	-107.37
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CSC=C3)C=C2F)N=C1	REAL300000371001	0	35	-2.0	-118.20	337.75	5.98	-112.22
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=COC=C3)C=C2F)N=C1	REAL300000371002	0	35	-2.0	-118.66	329.17	4.96	-113.70
CC1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(N3C=C(C)C=N3)C=C2C(=O)[O-])=C1	REAL300000371003	0	38	-2.0	-120.94	360.21	6.73	-114.21
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CNN=C3Cl)C=C2F)N=C1	REAL300000371004	0	35	-2.0	-117.27	344.92	3.88	-113.39
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC(C)=NS3)C=C2F)N=C1	REAL300000371005	0	37	-2.0	-114.55	355.12	5.36	-109.19
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=C(F)C=CS3)C=C2F)N=C1	REAL300000371007	0	35	-2.0	-119.66	344.92	6.10	-113.56
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=NC=CN3)C=C2F)N=C1	REAL300000371010	0	35	-2.0	-126.47	328.26	3.64	-122.83
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=C(C)N(C)N=C3)C=C2F)N=C1	REAL300000371013	0	41	-2.0	-118.29	367.30	5.30	-112.99
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CN(C)N=C3C)C=C2F)N=C1	REAL300000371014	0	41	-2.0	-120.43	370.02	5.43	-115.00
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CON=C3C)C=C2F)N=C1	REAL300000371019	0	37	-2.0	-112.20	345.40	4.97	-107.23
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=CN=C3F)C=C2F)N=C1	REAL300000371020	0	37	-2.0	-125.81	347.15	5.25	-120.56
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=C(F)N=C3)C=C2F)N=C1	REAL300000371022	0	37	-2.0	-111.41	348.05	5.23	-106.18
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CN=C(C)N3C)C=C2F)N=C1	REAL300000371025	0	41	-2.0	-120.27	366.00	6.04	-114.23
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CN=C(N)N=C3)C=C2F)N=C1	REAL300000371027	0	38	-2.0	-114.28	351.85	4.42	-109.86
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=NS3)C=C2F)N=C1	REAL300000371028	0	34	-2.0	-113.92	333.38	4.77	-109.15
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CN(C)N=N3)C=C2F)N=C1	REAL300000371029	0	37	-2.0	-129.64	345.59	3.39	-126.25
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(N2C=C(C)C=N2)C=C1C(=O)[O-]	REAL300000371030	0	40	-2.0	-109.73	361.87	4.40	-105.33
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=C(C)NC=N3)C=C2F)N=C1	REAL300000371031	0	38	-2.0	-133.29	345.58	5.14	-128.15
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC(C)=NN3C)C=C2F)N=C1	REAL300000371033	0	41	-2.0	-115.46	367.80	5.33	-110.13
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(N3C=C(C)C=N3)C=C2C(=O)[O-])O1	REAL300000371035	0	41	-2.0	-122.30	372.72	6.67	-115.63
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(N3C=C(C)C=N3)C=C2C(=O)[O-])=N1	REAL300000371036	0	40	-2.0	-120.71	367.50	3.92	-116.79
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=C(Cl)O3)C=C2F)N=C1	REAL300000371037	0	35	-2.0	-115.55	346.39	5.68	-109.87
CC1=COC(S(=O)(=O)[N-]C2=CC(F)=C(N3C=C(C)C=N3)C=C2C(=O)[O-])=C1	REAL300000371038	0	38	-2.0	-121.40	351.23	5.74	-115.66
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=C(C#N)C=CO3)C=C2F)N=C1	REAL300000371039	0	36	-2.0	-118.99	350.80	5.51	-113.48
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=C(Cl)OC=C3)C=C2F)N=C1	REAL300000371040	0	35	-2.0	-117.46	345.43	5.57	-111.89
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=C(C#N)OC=C3)C=C2F)N=C1	REAL300000371041	0	36	-2.0	-121.92	349.58	5.48	-116.44
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CC=CC(O)=C3)C=C2F)N=C1	REAL300000371042	1	39	-2.0	-123.61	357.66	4.21	-119.40
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CSN=C3)C=C2F)N=C1	REAL300000371043	0	34	-2.0	-111.76	332.30	4.68	-107.08
CC1=CN(C2=CC(C(=O)[O-])=C([N-]S(=O)(=O)C3=CN=CS3)C=C2F)N=C1	REAL300000371044	0	34	-2.0	-116.57	333.23	4.18	-112.39
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2F)N=C1	REAL300000371047	1	38	-2.0	-104.28	350.29	7.03	-97.25
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2F)N=C1	REAL300000371049	0	38	-2.0	-101.34	354.75	6.93	-94.41
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2F)N=C1	REAL300000371050	0	35	-2.0	-98.35	342.46	5.88	-92.47
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2F)N=C1	REAL300000371052	1	39	-2.0	-102.83	356.93	6.39	-96.44
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2F)N=C1	REAL300000371053	0	38	-2.0	-94.61	358.39	6.55	-88.06
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2F)N=C1	REAL300000371054	1	35	-2.0	-99.81	340.92	5.90	-93.91
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2F)N=C1	REAL300000371055	0	38	-2.0	-98.48	352.28	6.00	-92.48
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2F)N=C1	REAL300000371056	1	38	-2.0	-101.97	357.87	6.76	-95.21
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2F)N=C1	REAL300000371057	1	38	-2.0	-92.51	354.81	7.08	-85.43
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2F)N=C1	REAL300000371058	0	35	-2.0	-93.46	341.54	6.00	-87.46
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2F)N=C1	REAL300000371059	1	38	-2.0	-95.00	355.68	6.93	-88.07
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2F)N=C1	REAL300000371060	0	38	-2.0	-91.10	354.74	6.94	-84.16
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2F)N=C1	REAL300000371061	0	39	-2.0	-104.61	358.99	4.57	-100.04
CC1=CN(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2F)N=C1	REAL300000371061	1	39	-2.0	-105.99	358.08	5.45	-100.54
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2F)N=C1	REAL300000371062	1	41	-2.0	-95.39	371.44	7.65	-87.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=C(C)C=N3)C(F)=C2)C=C1C(=O)[O-]	REAL300000371065	1	42	-2.0	-104.08	378.31	7.26	-96.82
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2F)N=C1	REAL300000371067	0	38	-2.0	-107.57	352.89	6.89	-100.68
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2F)N=C1	REAL300000371068	0	37	-2.0	-101.39	346.26	4.92	-96.47
CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2F)N=C1	REAL300000371069	0	35	-2.0	-92.21	349.43	5.85	-86.36
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=C(C)C=N3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000371070	0	41	-2.0	-98.41	371.40	6.85	-91.56
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371071	0	39	-2.0	-113.79	353.56	2.32	-111.47
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000371072	0	39	-2.0	-103.89	349.00	2.30	-101.59
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371073	0	39	-2.0	-116.60	349.02	2.29	-114.31
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C(N)=O)=C1	REAL300000371074	0	43	-2.0	-120.82	377.16	2.09	-118.73
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000371075	0	43	-2.0	-102.25	380.47	3.59	-98.66
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371076	0	42	-2.0	-117.89	365.05	2.83	-115.06
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(N)=O)=C1	REAL300000371077	0	39	-2.0	-110.84	362.09	2.87	-107.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371078	0	39	-2.0	-112.33	361.53	2.69	-109.64
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C(N)=O)=C1	REAL300000371079	0	45	-2.0	-117.86	382.13	3.63	-114.23
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(N)=O)=C1	REAL300000371080	0	39	-2.0	-113.03	354.50	2.36	-110.67
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000371081	0	45	-2.0	-101.52	392.59	3.88	-97.64
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(N)=O)=C1	REAL300000371082	0	36	-2.0	-110.89	342.21	1.31	-109.58
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(N)=O)=C1	REAL300000371083	0	42	-2.0	-115.92	364.46	3.09	-112.83
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000371084	0	43	-2.0	-101.09	380.09	2.58	-98.51
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371085	0	40	-2.0	-115.04	355.66	1.65	-113.39
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C(N)=O)=C1	REAL300000371086	0	43	-2.0	-115.94	373.22	1.11	-114.83
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C(N)=O)=C1	REAL300000371087	0	39	-2.0	-107.03	358.16	1.98	-105.05
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C(N)=O)=C1	REAL300000371088	0	45	-2.0	-117.20	380.48	3.61	-113.59
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371089	0	36	-2.0	-112.16	340.67	1.33	-110.83
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371090	0	43	-2.0	-122.50	376.30	2.36	-120.14
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C(C(N)=O)=C1	REAL300000371091	0	45	-2.0	-112.50	374.62	3.93	-108.57
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371092	0	39	-2.0	-109.38	352.03	1.44	-107.94
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(N)=O)=C1	REAL300000371093	0	43	-2.0	-117.76	377.99	1.38	-116.38
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(N)=O)=C1	REAL300000371094	0	42	-2.0	-106.75	369.73	3.11	-103.64
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371095	0	39	-2.0	-112.36	357.65	2.19	-110.17
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(N)=O)=C1	REAL300000371096	0	39	-2.0	-101.06	362.07	2.86	-98.20
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(N)=O)=C1	REAL300000371097	0	39	-2.0	-103.28	353.54	2.33	-100.95
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(N)=O)=C1	REAL300000371098	0	36	-2.0	-105.69	341.28	1.42	-104.27
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371099	0	39	-2.0	-107.40	355.43	2.36	-105.04
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C(N)=O)=C1	REAL300000371100	0	42	-2.0	-114.75	374.77	2.99	-111.76
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(N)=O)=C1	REAL300000371101	0	39	-2.0	-103.62	354.49	2.37	-101.25
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(N)=O)=C1	REAL300000371102	0	39	-2.0	-101.37	361.51	2.70	-98.67
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(N)=O)=C1	REAL300000371103	0	40	-2.0	-114.01	358.74	0.01	-114.00
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000371104	0	42	-2.0	-106.49	371.19	3.08	-103.41
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(N)=O)=C1	REAL300000371105	0	42	-2.0	-113.59	359.06	2.94	-110.65
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371106	0	42	-2.0	-115.39	373.85	2.95	-112.44
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C(N)=O)=C1	REAL300000371107	0	42	-2.0	-103.56	364.44	3.07	-100.49
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371108	0	45	-2.0	-120.07	381.90	3.36	-116.71
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C(N)=O)=C1	REAL300000371109	0	45	-2.0	-117.98	383.50	3.68	-114.30
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(N)=O)=C1	REAL300000371110	0	42	-2.0	-114.34	370.50	2.89	-111.45
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C(N)=O)=C1	REAL300000371111	0	42	-2.0	-122.91	374.06	2.99	-119.92
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371112	0	45	-2.0	-118.67	382.99	3.48	-115.19
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371113	0	43	-2.0	-116.42	377.05	2.51	-113.91
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C(N)=O)=C1	REAL300000371114	0	42	-2.0	-105.63	369.08	2.94	-102.69
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C(N)=O)=C1	REAL300000371115	0	42	-2.0	-113.05	368.97	3.11	-109.94
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(N)=O)=C1	REAL300000371116	0	39	-2.0	-121.94	352.66	2.32	-119.62
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371117	0	42	-2.0	-108.38	370.19	2.87	-105.51
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(N)=O)=C1	REAL300000371118	0	38	-2.0	-114.65	345.23	0.42	-114.23
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C(N)=O)=C1	REAL300000371119	0	43	-2.0	-107.91	377.23	2.09	-105.82
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371120	0	36	-2.0	-103.77	349.12	1.27	-102.50
CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000371121	0	42	-2.0	-108.07	367.38	2.26	-105.81
COC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000371145	0	40	-2.0	-110.66	374.41	8.11	-102.55
COC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000371164	0	38	-2.0	-109.31	347.17	6.25	-103.06
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)N(C)C	REAL300000371194	1	41	-2.0	-103.56	361.48	5.51	-98.05
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1C(=O)N(C)C	REAL300000371195	1	41	-2.0	-94.31	358.24	5.52	-88.79
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C(=O)N(C)C	REAL300000371196	1	41	-2.0	-107.13	358.25	5.51	-101.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)C)C(C)=C1	REAL300000371197	0	45	-2.0	-112.26	385.09	5.28	-106.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1C(=O)N(C)C	REAL300000371198	1	45	-2.0	-94.27	388.41	6.77	-87.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(C)=C2)C=C1C(=O)[O-]	REAL300000371199	1	44	-2.0	-106.92	373.04	6.02	-100.90
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1C(=O)N(C)C	REAL300000371200	0	41	-2.0	-102.94	370.84	6.09	-96.85
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(=O)N(C)C	REAL300000371201	1	41	-2.0	-101.71	369.14	5.88	-95.83
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1C(=O)N(C)C	REAL300000371202	1	47	-2.0	-109.90	389.34	6.78	-103.12
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C(=O)N(C)C	REAL300000371203	0	41	-2.0	-103.84	363.73	5.57	-98.27
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C(=O)N(C)C	REAL300000371204	1	47	-2.0	-93.15	400.38	7.14	-86.01
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C(=O)N(C)C	REAL300000371205	0	38	-2.0	-101.72	350.53	4.48	-97.24
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)C)C(C)=C1	REAL300000371206	1	44	-2.0	-106.69	372.69	6.32	-100.37
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC=C1C(=O)N(C)C	REAL300000371207	1	45	-2.0	-92.67	389.33	5.80	-86.87
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C(=O)N(C)C	REAL300000371208	0	42	-2.0	-105.55	363.60	4.83	-100.72
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CC=C1C(=O)N(C)C	REAL300000371209	1	45	-2.0	-108.82	381.55	4.28	-104.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(C)=C2)=C1	REAL300000371210	0	41	-2.0	-96.88	366.07	5.16	-91.72
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)N(C)C	REAL300000371211	1	47	-2.0	-108.96	388.29	6.81	-102.15
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C(=O)N(C)C	REAL300000371212	0	38	-2.0	-102.25	349.11	4.58	-97.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(C)=C2)C=C1C(=O)[O-]	REAL300000371213	1	45	-2.0	-111.67	384.23	5.55	-106.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)C)C(C)=C1	REAL300000371214	1	47	-2.0	-106.98	387.92	7.25	-99.73
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000371215	0	41	-2.0	-101.39	360.78	4.67	-96.72
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(C)=C2)=C1	REAL300000371216	0	45	-2.0	-108.59	386.18	4.61	-103.98
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C(=O)N(C)C	REAL300000371217	1	44	-2.0	-98.96	377.79	6.37	-92.59
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000371218	0	41	-2.0	-104.50	365.55	5.37	-99.13
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C(=O)N(C)C	REAL300000371219	0	41	-2.0	-92.30	370.40	6.02	-86.28
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(=O)N(C)C	REAL300000371220	1	41	-2.0	-94.26	361.48	5.52	-88.74
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C(=O)N(C)C	REAL300000371221	0	38	-2.0	-95.97	349.62	4.60	-91.37
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(=O)N(C)C	REAL300000371222	1	41	-2.0	-96.93	363.23	5.61	-91.32
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1C(=O)N(C)C	REAL300000371223	0	44	-2.0	-104.24	382.58	6.25	-97.99
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C(=O)N(C)C	REAL300000371224	0	41	-2.0	-93.61	362.41	5.54	-88.07
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C(=O)N(C)C	REAL300000371225	1	41	-2.0	-92.35	369.84	5.87	-86.48
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)N(C)C	REAL300000371226	1	41	-2.0	-96.36	367.64	5.64	-90.72
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C(=O)N(C)C	REAL300000371227	0	42	-2.0	-106.58	366.35	3.19	-103.39
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C(=O)N(C)C	REAL300000371227	1	42	-2.0	-107.19	355.61	4.15	-103.04
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C(=O)N(C)C	REAL300000371228	1	44	-2.0	-97.73	379.36	6.31	-91.42
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C(=O)N(C)C	REAL300000371229	1	44	-2.0	-102.51	368.03	6.15	-96.36
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)N(C)C	REAL300000371230	1	44	-2.0	-104.89	382.02	6.18	-98.71
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1C(=O)N(C)C	REAL300000371231	1	44	-2.0	-94.58	372.23	6.33	-88.25
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)N(C)C	REAL300000371232	1	47	-2.0	-111.49	393.24	6.70	-104.79
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1C(=O)N(C)C	REAL300000371233	0	41	-2.0	-95.95	370.35	5.64	-90.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000371234	1	47	-2.0	-107.01	391.84	6.92	-100.09
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)N(C)C	REAL300000371235	0	44	-2.0	-105.33	384.82	6.25	-99.08
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(C)=C2)=C1	REAL300000371236	0	44	-2.0	-111.90	383.67	6.24	-105.66
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(C)=C2)C=C1C(=O)[O-]	REAL300000371237	1	47	-2.0	-107.56	391.46	6.68	-100.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(C)=C2)C=C1C(=O)[O-]	REAL300000371238	0	45	-2.0	-105.27	386.64	5.76	-99.51
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1C(=O)N(C)C	REAL300000371239	1	44	-2.0	-94.52	373.01	6.03	-88.49
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC=C1C(=O)N(C)C	REAL300000371240	1	44	-2.0	-104.11	378.17	6.38	-97.73
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C(=O)N(C)C	REAL300000371241	0	41	-2.0	-110.07	360.56	5.50	-104.57
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)N(C)C	REAL300000371242	1	44	-2.0	-98.63	383.53	6.19	-92.44
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C(=O)N(C)C	REAL300000371243	0	40	-2.0	-105.10	353.67	3.66	-101.44
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)C)C(C)=C1	REAL300000371244	0	45	-2.0	-98.40	386.45	5.31	-93.09
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1C(=O)N(C)C	REAL300000371245	0	38	-2.0	-94.82	357.09	4.48	-90.34
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000371246	0	44	-2.0	-100.86	380.38	5.51	-95.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=CC=C1F	REAL300000371247	0	39	-2.0	-110.99	352.97	6.88	-104.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1	REAL300000371248	0	39	-2.0	-100.70	348.43	6.86	-93.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1	REAL300000371249	0	39	-2.0	-113.94	348.44	6.85	-107.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1CC1	REAL300000371250	0	43	-2.0	-118.84	376.58	6.65	-112.19
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1	REAL300000371251	0	43	-2.0	-99.64	379.89	8.15	-91.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000371252	0	42	-2.0	-115.29	364.46	7.38	-107.91
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1	REAL300000371253	0	39	-2.0	-108.57	361.51	7.44	-101.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=CC=C1Cl	REAL300000371254	0	39	-2.0	-109.55	360.94	7.25	-102.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1C	REAL300000371255	0	45	-2.0	-115.90	381.55	8.18	-107.72
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1	REAL300000371256	0	39	-2.0	-110.83	353.91	6.92	-103.91
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1	REAL300000371257	0	45	-2.0	-99.00	392.01	8.42	-90.58
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1	REAL300000371258	0	36	-2.0	-107.94	341.62	5.87	-102.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1CC1	REAL300000371259	0	42	-2.0	-113.71	363.87	7.63	-106.08
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1	REAL300000371260	0	43	-2.0	-98.45	379.51	7.14	-91.31
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000371261	0	40	-2.0	-112.11	355.09	6.20	-105.91
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1CC1	REAL300000371262	0	43	-2.0	-113.88	372.64	5.66	-108.22
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1	REAL300000371263	0	39	-2.0	-104.02	357.55	6.53	-97.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000371264	0	45	-2.0	-115.12	379.89	8.17	-106.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=CS1	REAL300000371265	0	36	-2.0	-109.30	340.09	5.88	-103.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000371266	0	43	-2.0	-119.68	375.73	6.92	-112.76
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1CC1	REAL300000371267	0	48	-2.0	-116.02	402.33	8.86	-107.16
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1CC1	REAL300000371268	0	45	-2.0	-111.35	378.57	8.58	-102.77
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1CC1	REAL300000371269	0	46	-2.0	-119.95	398.87	7.41	-112.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=CC(C(=O)[O-])=C1	REAL300000371270	0	41	-3.0	-191.55	376.84	7.42	-184.13
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2OCC2CC2)=CC(C(=O)[O-])=C1	REAL300000371270	1	42	-2.0	-109.81	376.85	7.37	-102.44
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1	REAL300000371271	0	46	-2.0	-118.47	392.68	8.75	-109.72
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C(C(=O)[O-])O1	REAL300000371272	0	39	-2.0	-106.78	351.45	6.00	-100.78
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1	REAL300000371273	0	43	-2.0	-115.89	377.35	5.94	-109.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C(Cl)C=C1F	REAL300000371274	0	39	-2.0	-104.98	366.03	7.44	-97.54
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=CC=C1OCC(=O)[O-]	REAL300000371275	0	46	-2.0	-98.91	399.59	7.83	-91.08
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1CC1	REAL300000371276	0	42	-2.0	-104.24	369.15	7.67	-96.57
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1F	REAL300000371277	0	43	-2.0	-97.70	385.73	7.20	-90.50
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000371278	0	46	-2.0	-120.25	397.57	7.83	-112.42
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C(C(=O)[O-])S1	REAL300000371279	0	39	-2.0	-110.08	357.06	6.74	-103.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C(Cl)=C1	REAL300000371280	0	39	-2.0	-97.97	361.49	7.42	-90.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1F	REAL300000371281	0	39	-2.0	-100.03	352.95	6.89	-93.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)S1	REAL300000371282	0	36	-2.0	-102.62	340.70	5.98	-96.64
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1	REAL300000371283	0	39	-2.0	-104.50	354.86	6.92	-97.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1F	REAL300000371284	0	42	-2.0	-112.54	374.19	7.55	-104.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C(F)=C1	REAL300000371285	0	39	-2.0	-100.48	353.89	6.92	-93.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1Cl	REAL300000371286	0	39	-2.0	-98.20	360.92	7.25	-90.95
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1CC1	REAL300000371287	0	42	-2.0	-105.96	377.88	8.05	-97.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=CC(F)=C1F	REAL300000371288	0	39	-2.0	-102.32	359.26	6.94	-95.38
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1	REAL300000371289	0	41	-2.0	-98.47	376.63	7.51	-90.96
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1	REAL300000371290	0	40	-2.0	-112.31	358.15	4.56	-107.75
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1	REAL300000371291	0	42	-2.0	-104.03	370.61	7.62	-96.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=CC(Cl)=C1F	REAL300000371292	0	39	-2.0	-103.90	369.14	7.38	-96.52
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1CC1	REAL300000371293	0	42	-2.0	-110.29	358.48	7.48	-102.81
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=CC(C(=O)[O-])=C1F	REAL300000371294	0	42	-2.0	-112.57	373.28	7.50	-105.07
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1CC1	REAL300000371295	0	42	-2.0	-100.48	363.85	7.62	-92.86
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=CC(C(=O)[O-])=C1C	REAL300000371296	0	45	-2.0	-117.29	381.32	7.92	-109.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=CC=C1[N+](=O)[O-]	REAL300000371297	0	41	-2.0	-111.48	375.00	7.94	-103.54
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1	REAL300000371298	0	39	-2.0	-102.49	360.17	6.98	-95.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C(C)=C1C(=O)[O-]	REAL300000371299	0	45	-2.0	-114.55	382.92	8.25	-106.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000371300	0	42	-2.0	-112.11	369.91	7.46	-104.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1Cl	REAL300000371301	0	42	-2.0	-110.67	380.22	7.99	-102.68
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1	REAL300000371302	0	42	-2.0	-119.77	373.47	7.54	-112.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000371303	0	45	-2.0	-116.06	382.40	8.03	-108.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1CC(=O)[O-]	REAL300000371304	0	46	-2.0	-116.81	398.90	6.98	-109.83
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1CC1	REAL300000371305	0	42	-2.0	-103.36	374.70	8.04	-95.32
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=CC(C(=O)[O-])=C1Cl	REAL300000371306	0	42	-2.0	-111.53	379.67	7.81	-103.72
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000371307	0	43	-2.0	-113.45	376.46	7.06	-106.39
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000371308	0	42	-2.0	-107.29	378.30	7.82	-99.47
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=CC=C1C(=O)[O-]	REAL300000371309	0	42	-2.0	-102.52	368.49	7.50	-95.02
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1CC1	REAL300000371310	0	42	-2.0	-110.70	368.39	7.67	-103.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1[N+](=O)[O-]	REAL300000371311	0	41	-2.0	-121.63	372.17	8.70	-112.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1F	REAL300000371312	0	39	-2.0	-118.81	352.08	6.88	-111.93
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000371313	0	42	-2.0	-105.54	369.60	7.42	-98.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=CC2=CC=CC=C21	REAL300000371314	0	45	-2.0	-122.65	389.48	8.97	-113.68
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C1	REAL300000371315	0	38	-2.0	-111.79	344.65	4.97	-106.82
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1CC1	REAL300000371316	0	43	-2.0	-105.00	376.63	6.64	-98.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)=C(Cl)O1	REAL300000371317	0	36	-2.0	-100.89	348.54	5.82	-95.07
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3OCC3CC3)C=C2)CC1	REAL300000371318	0	46	-2.0	-107.04	394.57	8.74	-98.30
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3OCC3CC3)C=C2C1	REAL300000371319	0	46	-2.0	-111.07	392.52	8.71	-102.36
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CC2)C=C(C(=O)[O-])O1	REAL300000371320	0	42	-2.0	-106.29	370.57	6.84	-99.45
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000371321	0	41	-2.0	-106.57	369.34	1.68	-104.89
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000371322	0	41	-2.0	-96.90	364.77	1.65	-95.25
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000371323	0	41	-2.0	-108.91	364.79	1.65	-107.26
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000371324	0	45	-2.0	-113.31	392.93	1.46	-111.85
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000371325	0	45	-2.0	-96.45	396.23	2.94	-93.51
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000371326	0	44	-2.0	-109.96	380.83	2.18	-107.78
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000371327	0	41	-2.0	-103.94	377.85	2.21	-101.73
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000371328	0	41	-2.0	-104.83	377.31	2.04	-102.79
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000371329	0	47	-2.0	-110.53	397.18	2.94	-107.59
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000371330	0	41	-2.0	-105.19	370.26	1.71	-103.48
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000371331	0	47	-2.0	-95.49	408.35	3.24	-92.25
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000371332	0	38	-2.0	-103.20	357.97	0.67	-102.53
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000371333	0	44	-2.0	-108.70	380.22	2.41	-106.29
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000371334	0	45	-2.0	-95.11	395.85	1.93	-93.18
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000371335	0	42	-2.0	-107.54	371.44	1.00	-106.54
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000371336	0	45	-2.0	-109.42	388.99	0.45	-108.97
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000371337	0	41	-2.0	-99.42	373.90	1.33	-98.09
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000371338	0	47	-2.0	-109.91	396.25	2.96	-106.95
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000371339	0	38	-2.0	-104.73	356.43	0.69	-104.04
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000371340	0	45	-2.0	-114.80	392.08	1.71	-113.09
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000371341	0	50	-2.0	-110.81	418.69	3.64	-107.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C(=O)NC(CC)CC	REAL300000371342	0	47	-2.0	-107.01	394.93	3.17	-103.84
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000371343	0	48	-2.0	-112.76	409.04	3.53	-109.23
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000371344	0	41	-2.0	-102.25	367.79	0.79	-101.46
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000371345	0	45	-2.0	-111.22	393.69	0.75	-110.47
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000371346	0	44	-2.0	-99.71	385.49	2.45	-97.26
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000371347	0	41	-2.0	-105.42	373.39	1.55	-103.87
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000371348	0	41	-2.0	-94.68	377.83	2.19	-92.49
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000371349	0	41	-2.0	-96.53	369.31	1.69	-94.84
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000371350	0	38	-2.0	-98.29	357.06	0.78	-97.51
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000371351	0	41	-2.0	-99.86	371.20	1.71	-98.15
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000371352	0	44	-2.0	-106.53	390.55	2.35	-104.18
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000371353	0	41	-2.0	-96.20	370.25	1.72	-94.48
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000371354	0	41	-2.0	-94.50	377.28	2.05	-92.45
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000371355	0	41	-2.0	-98.36	375.61	1.74	-96.62
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000371356	0	42	-2.0	-107.02	374.50	-0.63	-107.65
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000371356	1	41	-3.0	-203.61	370.93	0.25	-203.36
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000371357	0	44	-2.0	-99.63	386.95	2.43	-97.20
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000371358	0	44	-2.0	-106.10	374.85	2.27	-103.83
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000371359	0	44	-2.0	-107.89	389.62	2.30	-105.59
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000371360	0	44	-2.0	-97.08	379.78	2.36	-94.72
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000371361	0	47	-2.0	-113.24	401.58	2.82	-110.42
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000371362	0	41	-2.0	-97.26	376.54	1.77	-95.49
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000371363	0	47	-2.0	-110.50	398.18	2.97	-107.53
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000371364	0	44	-2.0	-106.25	386.26	2.25	-104.00
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000371365	0	44	-2.0	-114.47	389.82	2.34	-112.13
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C(=O)NC(CC)CC)C=C1C(=O)[O-]	REAL300000371366	0	47	-2.0	-110.55	399.07	2.84	-107.71
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000371367	0	45	-2.0	-108.82	392.80	1.87	-106.95
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000371368	0	44	-2.0	-96.90	380.79	2.19	-94.71
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000371369	0	44	-2.0	-106.32	384.74	2.45	-103.87
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000371370	0	41	-2.0	-113.82	368.44	1.68	-112.14
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000371371	0	44	-2.0	-100.60	385.96	2.22	-98.38
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000371372	0	40	-2.0	-104.90	361.77	-0.30	-105.20
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000371373	0	45	-2.0	-100.90	392.98	1.46	-99.44
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000371374	0	38	-2.0	-96.61	364.93	0.62	-95.99
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000371375	0	48	-2.0	-102.90	408.77	3.47	-99.43
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000371376	0	48	-2.0	-107.68	410.22	3.53	-104.15
CCC1=C(S(=O)(=O)[N-]NC(=O)C(=O)NC(CC)CC)C=C(C(=O)[O-])O1	REAL300000371377	0	44	-2.0	-101.97	386.95	1.57	-100.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CC3CC(=O)NC3=O)C=C2)=CC=C1	REAL300000371379	1	41	-2.0	-121.90	367.43	4.14	-117.76
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(CC3CC(=O)NC3=O)C=C2)=C1	REAL300000371380	0	38	-2.0	-116.01	360.59	3.17	-112.84
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CC3CC(=O)NC3=O)C=C2)C=C1C(=O)[O-]	REAL300000371381	1	42	-2.0	-120.14	374.06	3.50	-116.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CC3CC(=O)NC3=O)C=C2)=CS1	REAL300000371382	0	38	-2.0	-117.43	359.06	3.19	-114.24
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC3CC(=O)NC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000371383	0	41	-2.0	-115.86	370.42	3.29	-112.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC3CC(=O)NC3=O)C=C2)S1	REAL300000371384	0	38	-2.0	-111.41	359.68	3.27	-108.14
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(CC3CC(=O)NC3=O)C=C2)=C1	REAL300000371385	0	40	-2.0	-120.84	363.62	2.27	-118.57
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000371386	0	42	-2.0	-97.27	388.27	-0.01	-97.28
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000371387	0	35	-2.0	-114.63	336.34	1.44	-113.19
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(N)=O)C=C1	REAL300000371388	0	43	-2.0	-115.71	391.43	2.51	-113.20
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000371389	0	35	-2.0	-103.84	331.79	1.42	-102.42
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000371390	0	35	-2.0	-117.31	331.81	1.41	-115.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(N)=O)C=C1	REAL300000371391	0	39	-2.0	-123.00	359.95	1.22	-121.78
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000371392	0	39	-2.0	-103.33	363.26	2.70	-100.63
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000371393	0	38	-2.0	-119.80	351.88	2.05	-117.75
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000371394	0	35	-2.0	-112.84	344.88	1.97	-110.87
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000371395	0	35	-2.0	-113.02	344.31	1.80	-111.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)=C1C	REAL300000371396	0	41	-2.0	-120.51	364.48	2.75	-117.76
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000371397	0	35	-2.0	-114.45	337.28	1.47	-112.98
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000371398	0	41	-2.0	-102.82	375.39	3.00	-99.82
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000371399	0	32	-2.0	-111.20	325.00	0.43	-110.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(N)=O)C=C1	REAL300000371400	0	38	-2.0	-118.40	347.24	2.18	-116.22
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000371401	0	39	-2.0	-102.17	362.87	1.69	-100.48
CN1C=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000371402	0	36	-2.0	-115.50	338.46	0.75	-114.75
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(N)=O)C=C1	REAL300000371403	0	39	-2.0	-119.04	355.60	0.24	-118.80
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)=C1	REAL300000371404	0	35	-2.0	-106.40	340.92	1.09	-105.31
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000371405	0	41	-2.0	-119.64	363.26	2.72	-116.92
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000371406	0	32	-2.0	-112.68	323.46	0.44	-112.24
COC1=CC(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000371407	0	43	-2.0	-117.63	390.14	1.22	-116.41
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000371408	0	39	-2.0	-123.20	359.08	1.47	-121.73
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000371409	0	45	-2.0	-122.36	387.04	4.03	-118.33
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(N)=O)C=C1	REAL300000371410	0	44	-2.0	-120.65	385.71	3.41	-117.24
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(N)=O)C=C1	REAL300000371411	0	41	-2.0	-116.70	361.94	3.12	-113.58
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(N)=O)C=C1	REAL300000371412	0	42	-2.0	-122.41	382.24	1.98	-120.43
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000371413	0	37	-3.0	-191.21	360.21	1.97	-189.24
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000371414	0	42	-2.0	-122.67	376.05	3.29	-119.38
CC1=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000371415	0	35	-2.0	-110.75	334.81	0.55	-110.20
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000371416	0	41	-2.0	-120.69	373.98	1.18	-119.51
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)=C1	REAL300000371417	0	39	-2.0	-116.85	360.73	0.51	-116.34
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000371418	0	43	-2.0	-103.17	385.45	2.03	-101.14
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000371419	0	35	-2.0	-109.37	349.40	1.99	-107.38
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)=CC=C1OCC(=O)[O-]	REAL300000371420	0	42	-2.0	-102.72	382.97	2.40	-100.32
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(N)=O)C=C1	REAL300000371421	0	38	-2.0	-108.59	352.51	2.22	-106.37
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000371422	0	39	-2.0	-101.38	369.10	1.75	-99.63
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000371423	0	42	-2.0	-122.16	380.94	2.38	-119.78
CC1=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C=C(C(=O)[O-])S1	REAL300000371424	0	35	-2.0	-114.37	341.50	1.29	-113.08
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000371425	0	35	-2.0	-101.18	344.86	1.96	-99.22
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000371426	0	35	-2.0	-103.05	336.32	1.45	-101.60
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000371427	0	32	-2.0	-105.22	324.06	0.54	-104.68
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000371428	0	35	-2.0	-106.64	338.21	1.47	-105.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)=C1F	REAL300000371429	0	38	-2.0	-115.85	357.57	2.11	-113.74
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000371430	0	35	-2.0	-102.96	337.27	1.48	-101.48
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000371431	0	35	-2.0	-101.30	344.29	1.81	-99.49
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(N)=O)C=C1	REAL300000371432	0	38	-2.0	-110.34	361.25	2.61	-107.73
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000371433	0	43	-2.0	-100.12	395.54	2.82	-97.30
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000371434	0	35	-2.0	-105.86	342.63	1.50	-104.36
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000371435	0	37	-2.0	-100.77	360.00	2.08	-98.69
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000371436	0	36	-2.0	-117.05	341.52	-0.87	-117.92
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000371437	0	38	-2.0	-107.59	353.99	2.19	-105.40
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000371438	0	35	-2.0	-107.36	352.51	1.94	-105.42
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CCC(N)=O)C=C1	REAL300000371439	0	38	-2.0	-111.86	341.88	2.04	-109.82
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)=CC(C(=O)[O-])=C1F	REAL300000371440	0	38	-2.0	-116.05	356.64	2.06	-113.99
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCC(N)=O)C=C1	REAL300000371441	0	38	-2.0	-104.06	347.22	2.18	-101.88
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)=CC(C(=O)[O-])=C1C	REAL300000371442	0	41	-2.0	-120.25	368.61	2.58	-117.67
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000371443	0	37	-2.0	-115.23	358.36	2.50	-112.73
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000371444	0	35	-2.0	-105.67	343.54	1.53	-104.14
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C(C)=C1C(=O)[O-]	REAL300000371445	0	41	-2.0	-116.27	365.19	2.81	-113.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000371446	0	38	-2.0	-115.60	353.28	2.01	-113.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)=C1Cl	REAL300000371447	0	38	-2.0	-114.63	363.57	2.53	-112.10
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)=C1	REAL300000371448	0	38	-2.0	-120.39	356.84	2.10	-118.29
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000371449	0	41	-2.0	-119.33	365.74	2.59	-116.74
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C=C1CC(=O)[O-]	REAL300000371450	0	42	-2.0	-117.65	382.27	1.54	-116.11
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(CCC(N)=O)C=C1	REAL300000371451	0	38	-2.0	-105.19	358.07	2.59	-102.60
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000371452	0	38	-2.0	-114.87	363.03	2.37	-112.50
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000371453	0	39	-2.0	-116.81	359.83	1.63	-115.18
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C(C)=C1CC(=O)[O-]	REAL300000371454	0	47	-2.0	-116.31	396.96	4.29	-112.02
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000371455	0	38	-2.0	-110.45	361.67	2.37	-108.08
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000371456	0	38	-2.0	-104.02	347.81	1.95	-102.07
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000371457	0	40	-2.0	-108.57	375.07	3.60	-104.97
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(N)=O)C=C1	REAL300000371458	0	38	-2.0	-115.93	351.35	2.25	-113.68
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000371459	0	37	-2.0	-122.24	355.53	3.27	-118.97
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000371460	0	35	-2.0	-119.58	335.47	1.44	-118.14
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000371461	0	38	-2.0	-108.65	352.97	1.98	-106.67
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000371462	0	41	-2.0	-123.94	372.85	3.53	-120.41
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000371463	0	34	-2.0	-114.06	328.79	-0.54	-114.60
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCC(N)=O)C=C1	REAL300000371464	0	39	-2.0	-108.23	360.01	1.22	-107.01
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000371465	0	32	-2.0	-104.26	331.95	0.38	-103.88
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000371466	0	42	-2.0	-110.97	377.93	3.30	-107.67
NC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000371467	0	42	-2.0	-114.33	377.25	3.30	-111.03
CCC1=C(S(=O)(=O)[N-]C2=NN(CCC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000371468	0	38	-2.0	-110.66	353.94	1.40	-109.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCOC2)C=C1	REAL300000371472	0	44	-2.0	-113.40	379.20	4.43	-108.97
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=C1	REAL300000371475	0	40	-2.0	-103.55	364.12	5.19	-98.36
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=C1	REAL300000371478	0	40	-2.0	-104.31	356.07	4.69	-99.62
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=C1	REAL300000371480	0	37	-2.0	-101.85	344.23	3.66	-98.19
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)C=C1C(=O)[O-]	REAL300000371483	1	41	-2.0	-105.94	357.70	3.99	-101.95
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=C1	REAL300000371485	0	40	-2.0	-98.30	360.17	4.32	-93.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=CS1	REAL300000371487	1	37	-2.0	-102.97	342.70	3.67	-99.30
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)C=C(C(=O)[O-])O1	REAL300000371490	0	40	-2.0	-101.83	354.08	3.78	-98.05
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=C1	REAL300000371491	0	44	-2.0	-109.09	380.02	3.73	-105.36
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCOC2)C=C1	REAL300000371492	1	43	-2.0	-99.41	371.76	5.45	-93.96
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)C=C(C(=O)[O-])S1	REAL300000371493	1	40	-2.0	-105.34	359.68	4.52	-100.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)C(Cl)=C1	REAL300000371494	1	40	-2.0	-93.03	364.10	5.20	-87.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)S1	REAL300000371496	0	37	-2.0	-97.09	343.31	3.76	-93.33
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=C1	REAL300000371497	1	40	-2.0	-98.38	357.45	4.69	-93.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=C1F	REAL300000371498	0	43	-2.0	-106.40	376.82	5.34	-101.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)C(F)=C1	REAL300000371499	0	40	-2.0	-94.75	356.52	4.71	-90.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=CC(F)=C1F	REAL300000371501	1	40	-2.0	-97.01	361.88	4.74	-92.27
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=C1	REAL300000371502	0	41	-2.0	-107.99	360.77	2.36	-105.63
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3CCOC3)C=C2)=C1	REAL300000371502	1	41	-2.0	-107.26	359.42	3.12	-104.14
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=C1	REAL300000371508	0	40	-2.0	-96.64	362.80	4.77	-91.87
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)C=C1C(=O)[O-]	REAL300000371510	0	43	-2.0	-107.33	376.73	5.35	-101.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=C1	REAL300000371511	0	43	-2.0	-112.50	376.07	5.33	-107.17
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)C=C1C(=O)[O-]	REAL300000371513	1	44	-2.0	-107.19	379.06	4.85	-102.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=C1F	REAL300000371516	0	40	-2.0	-111.76	354.71	4.68	-107.08
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=C1	REAL300000371518	0	39	-2.0	-105.17	347.27	2.75	-102.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2CCOC2)C=C1	REAL300000371519	0	44	-2.0	-99.63	379.25	4.44	-95.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)=C(Cl)O1	REAL300000371520	0	37	-2.0	-95.59	351.20	3.62	-91.97
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCOC3)C=C2)C=C(C(=O)[O-])O1	REAL300000371521	0	43	-2.0	-101.80	373.17	4.64	-97.16
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1OCCC(C)C	REAL300000371522	1	47	-2.0	-105.41	402.17	8.12	-97.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1OCCC(C)C	REAL300000371524	1	47	-2.0	-108.07	397.64	8.09	-99.98
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1OCCC(C)C	REAL300000371526	0	47	-2.0	-105.14	403.12	8.15	-96.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1OCCC(C)C	REAL300000371527	0	44	-2.0	-102.21	390.83	7.10	-95.11
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1OCCC(C)C	REAL300000371528	1	50	-2.0	-108.71	413.07	8.87	-99.84
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1OCCC(C)C	REAL300000371529	1	48	-2.0	-106.47	404.29	7.44	-99.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(OCCC(C)C)=C2)=C1	REAL300000371530	0	47	-2.0	-98.31	406.76	7.77	-90.54
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1OCCC(C)C	REAL300000371531	0	44	-2.0	-103.68	389.29	7.12	-96.56
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(OCCC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000371532	0	47	-2.0	-101.55	400.65	7.22	-94.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(OCCC(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000371533	1	47	-2.0	-105.02	406.24	7.98	-97.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OCCC(C)C	REAL300000371534	1	47	-2.0	-94.78	402.16	8.13	-86.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1OCCC(C)C	REAL300000371535	0	44	-2.0	-97.01	389.91	7.22	-89.79
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OCCC(C)C	REAL300000371536	1	47	-2.0	-98.80	404.04	8.16	-90.64
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1OCCC(C)C	REAL300000371537	0	47	-2.0	-94.86	403.10	8.16	-86.70
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1OCCC(C)C	REAL300000371538	0	48	-2.0	-107.51	407.35	5.80	-101.71
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1OCCC(C)C	REAL300000371538	1	48	-2.0	-105.76	406.55	6.61	-99.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1OCCC(C)C	REAL300000371539	1	50	-2.0	-98.87	419.81	8.87	-90.00
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1OCCC(C)C	REAL300000371540	1	50	-2.0	-104.50	407.71	8.73	-95.77
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(OCCC(C)C)=C2)C=C1C(=O)[O-]	REAL300000371542	1	51	-2.0	-107.71	425.65	8.30	-99.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1OCCC(C)C	REAL300000371544	0	47	-2.0	-112.59	401.26	8.11	-104.48
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1OCCC(C)C	REAL300000371545	0	46	-2.0	-105.80	393.86	6.21	-99.59
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(OCCC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000371546	0	50	-2.0	-101.36	419.77	8.07	-93.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)=CC=C1F	REAL300000371547	0	29	-2.0	-101.04	302.25	2.85	-98.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)C=C1	REAL300000371548	0	29	-2.0	-90.47	297.71	2.82	-87.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)=C1	REAL300000371549	0	29	-2.0	-101.63	297.72	2.82	-98.81
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)C=C1	REAL300000371550	0	33	-2.0	-90.17	329.17	4.11	-86.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)C=C1C(=O)[O-]	REAL300000371551	0	32	-2.0	-102.83	313.74	3.34	-99.49
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)=C1	REAL300000371552	0	29	-2.0	-100.09	303.19	2.87	-97.22
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)=C1	REAL300000371553	0	26	-2.0	-97.57	290.91	1.83	-95.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Br)C=C1O	REAL300000371554	0	32	-2.0	-104.48	313.16	3.59	-100.89
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)C=C1C(=O)[O-]	REAL300000371555	0	30	-2.0	-101.75	304.37	2.16	-99.59
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)=C1	REAL300000371556	0	29	-2.0	-92.84	306.83	2.49	-90.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)=CS1	REAL300000371557	0	26	-2.0	-97.75	289.37	1.85	-95.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)C=C(C(=O)[O-])O1	REAL300000371558	0	29	-2.0	-95.99	300.73	1.95	-94.04
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)C=C(C(=O)[O-])S1	REAL300000371559	0	29	-2.0	-100.75	307.42	2.69	-98.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)C=C1F	REAL300000371560	0	29	-2.0	-89.96	302.26	2.86	-87.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)S1	REAL300000371561	0	26	-2.0	-91.81	289.98	1.94	-89.87
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)=C1	REAL300000371562	0	29	-2.0	-92.93	304.14	2.87	-90.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)C(F)=C1	REAL300000371563	0	29	-2.0	-89.90	303.18	2.89	-87.01
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)=C1	REAL300000371564	0	30	-2.0	-103.33	307.43	0.52	-102.81
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)C=C1	REAL300000371565	0	32	-2.0	-93.90	319.90	3.59	-90.31
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Br)C=C1O	REAL300000371566	0	32	-2.0	-98.09	307.76	3.46	-94.63
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Br)C=C1O	REAL300000371567	0	32	-2.0	-91.10	313.13	3.59	-87.51
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)C=C1C(=O)[O-]	REAL300000371568	0	33	-2.0	-103.01	325.74	3.03	-99.98
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)=CC=C1C(=O)[O-]	REAL300000371569	0	32	-2.0	-92.38	317.79	3.46	-88.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)=C1F	REAL300000371570	0	29	-2.0	-105.49	301.38	2.84	-102.65
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)=C1	REAL300000371571	0	28	-2.0	-99.63	293.94	0.93	-98.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)=C(Cl)O1	REAL300000371572	0	26	-2.0	-90.32	297.82	1.79	-88.53
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2O)C=C(C(=O)[O-])O1	REAL300000371573	0	32	-2.0	-97.59	319.84	2.80	-94.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=CC=C1F	REAL300000371574	0	32	-2.0	-98.36	312.61	5.40	-92.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1	REAL300000371575	0	32	-2.0	-89.96	308.06	5.38	-84.58
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000371576	0	32	-2.0	-102.56	308.09	5.37	-97.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=CC=C1O	REAL300000371577	0	36	-2.0	-107.09	336.23	5.06	-102.03
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1	REAL300000371578	0	36	-2.0	-89.16	339.53	6.67	-82.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1C(=O)[O-]	REAL300000371579	0	35	-2.0	-103.72	324.42	5.90	-97.82
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000371580	0	32	-2.0	-96.04	321.48	5.92	-90.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=CC=C1Cl	REAL300000371581	0	32	-2.0	-96.58	320.59	5.77	-90.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C1C	REAL300000371582	0	38	-2.0	-103.09	341.07	6.71	-96.38
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000371583	0	32	-2.0	-97.75	313.87	5.44	-92.31
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1	REAL300000371584	0	38	-2.0	-88.28	351.65	6.95	-81.33
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000371585	0	29	-2.0	-95.77	301.60	4.43	-91.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=CC=C1O	REAL300000371586	0	35	-2.0	-100.89	323.83	6.12	-94.77
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1	REAL300000371587	0	36	-2.0	-88.01	339.15	5.66	-82.35
CN1C=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1C(=O)[O-]	REAL300000371588	0	33	-2.0	-99.42	315.05	4.76	-94.66
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=CC=C1O	REAL300000371589	0	36	-2.0	-101.65	332.19	4.20	-97.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000371590	0	32	-2.0	-93.09	317.51	5.09	-88.00
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1C(=O)[O-]	REAL300000371591	0	38	-2.0	-102.03	339.86	6.66	-95.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=CS1	REAL300000371592	0	29	-2.0	-96.85	299.73	4.42	-92.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1C(=O)[O-]	REAL300000371593	0	36	-2.0	-108.64	335.69	5.45	-103.19
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=CC=C1O	REAL300000371594	0	38	-2.0	-99.33	338.53	7.07	-92.26
CC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000371595	0	32	-2.0	-95.39	311.41	4.52	-90.87
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000371596	0	36	-2.0	-103.95	337.32	4.36	-99.59
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=CC=C1O	REAL300000371597	0	35	-2.0	-92.28	329.11	6.15	-86.13
CC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C(C(=O)[O-])S1	REAL300000371598	0	32	-2.0	-97.84	318.10	5.27	-92.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C(Cl)=C1	REAL300000371599	0	32	-2.0	-87.49	321.13	5.91	-81.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1F	REAL300000371600	0	32	-2.0	-89.43	312.60	5.41	-84.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)S1	REAL300000371601	0	29	-2.0	-91.90	300.67	4.54	-87.36
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000371602	0	32	-2.0	-93.66	314.82	5.44	-88.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C1F	REAL300000371603	0	35	-2.0	-100.47	333.83	6.07	-94.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C(F)=C1	REAL300000371604	0	32	-2.0	-88.94	313.54	5.44	-83.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1Cl	REAL300000371605	0	32	-2.0	-87.49	320.57	5.77	-81.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=CC(F)=C1F	REAL300000371606	0	32	-2.0	-92.17	318.90	5.47	-86.70
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000371607	0	33	-2.0	-99.92	318.11	2.98	-96.94
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1	REAL300000371608	0	35	-2.0	-92.76	330.25	6.15	-86.61
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=CC=C1O	REAL300000371609	0	35	-2.0	-97.58	318.12	5.98	-91.60
CC1=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=CC(C(=O)[O-])=C1F	REAL300000371610	0	35	-2.0	-99.72	332.92	6.02	-93.70
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=CC=C1O	REAL300000371611	0	35	-2.0	-90.32	323.50	6.10	-84.22
CC1=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=CC(C(=O)[O-])=C1C	REAL300000371612	0	38	-2.0	-103.46	341.87	6.46	-97.00
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000371613	0	32	-2.0	-90.96	319.82	5.50	-85.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C(C)=C1C(=O)[O-]	REAL300000371614	0	38	-2.0	-103.40	341.94	6.77	-96.63
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1C(=O)[O-]	REAL300000371615	0	35	-2.0	-100.11	333.72	6.08	-94.03
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000371616	0	35	-2.0	-107.94	333.44	6.07	-101.87
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1C(=O)[O-]	REAL300000371617	0	38	-2.0	-104.43	342.72	6.57	-97.86
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1C(=O)[O-]	REAL300000371618	0	36	-2.0	-100.62	336.35	5.62	-95.00
CC1=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000371619	0	35	-2.0	-90.13	324.09	5.92	-84.21
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=CC=C1O	REAL300000371620	0	35	-2.0	-98.98	327.94	6.20	-92.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C1F	REAL300000371621	0	32	-2.0	-107.13	312.03	5.40	-101.73
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C1C(=O)[O-]	REAL300000371622	0	35	-2.0	-94.37	329.25	5.94	-88.43
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000371623	0	31	-2.0	-99.89	304.28	3.52	-96.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=CC=C1O	REAL300000371624	0	36	-2.0	-93.74	336.29	5.05	-88.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)=C(Cl)O1	REAL300000371625	0	29	-2.0	-90.68	308.19	4.37	-86.31
CCC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000371626	0	35	-2.0	-95.14	330.52	5.37	-89.77
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1O	REAL300000371627	0	39	-2.0	-88.51	369.66	2.04	-86.47
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000371628	0	32	-2.0	-103.75	317.73	3.49	-100.26
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C)=C1O	REAL300000371629	0	40	-2.0	-105.44	372.83	4.54	-100.90
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300000371630	0	32	-2.0	-94.71	313.18	3.47	-91.24
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1O	REAL300000371631	0	32	-2.0	-106.27	313.20	3.46	-102.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C)=C1O	REAL300000371632	0	36	-2.0	-112.14	341.35	3.26	-108.88
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1O	REAL300000371633	0	36	-2.0	-94.60	344.65	4.75	-89.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000371634	0	35	-2.0	-107.45	329.22	3.99	-103.46
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1O	REAL300000371635	0	32	-2.0	-102.31	326.28	4.04	-98.27
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000371636	0	32	-2.0	-102.14	325.71	3.85	-98.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)=C1C	REAL300000371637	0	38	-2.0	-109.25	346.32	4.79	-104.46
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1O	REAL300000371638	0	32	-2.0	-104.20	318.69	3.52	-100.68
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1O	REAL300000371639	0	38	-2.0	-93.73	356.77	5.04	-88.69
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1O	REAL300000371640	0	29	-2.0	-102.21	306.39	2.47	-99.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C)=C1O	REAL300000371641	0	35	-2.0	-107.36	328.64	4.24	-103.12
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1O	REAL300000371642	0	36	-2.0	-93.07	344.27	3.74	-89.33
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1O	REAL300000371643	0	33	-2.0	-106.26	319.86	2.80	-103.46
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C)=C1O	REAL300000371644	0	36	-2.0	-109.98	337.00	2.30	-107.68
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)=C1	REAL300000371645	0	32	-2.0	-97.29	322.33	3.14	-94.15
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000371646	0	38	-2.0	-108.66	344.65	4.78	-103.88
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1O	REAL300000371647	0	29	-2.0	-102.29	304.85	2.49	-99.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000371648	0	36	-2.0	-112.12	340.48	3.52	-108.60
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1O	REAL300000371649	0	42	-2.0	-113.25	368.45	6.09	-107.16
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1O	REAL300000371650	0	41	-2.0	-109.52	367.11	5.47	-104.05
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C)=C1O	REAL300000371651	0	38	-2.0	-107.63	343.34	5.19	-102.44
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C)=C1O	REAL300000371652	0	39	-2.0	-112.33	363.64	4.01	-108.32
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000371653	0	34	-3.0	-182.29	341.61	4.02	-178.27
CC1=CC(Cl)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000371653	1	35	-2.0	-106.51	341.61	3.96	-102.55
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1O	REAL300000371654	0	39	-2.0	-113.57	357.45	5.35	-108.22
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000371655	0	32	-2.0	-100.61	316.22	2.59	-98.02
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1O	REAL300000371656	0	38	-2.0	-111.28	355.37	3.23	-108.05
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)=C1	REAL300000371657	0	36	-2.0	-107.35	342.20	2.55	-104.80
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1O	REAL300000371658	0	40	-2.0	-94.17	366.12	4.05	-90.12
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1O	REAL300000371659	0	32	-2.0	-99.00	330.81	4.05	-94.95
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)=CC=C1OCC(=O)[O-]	REAL300000371660	0	39	-2.0	-93.48	364.36	4.44	-89.04
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1O	REAL300000371661	0	35	-2.0	-99.64	333.93	4.27	-95.37
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1O	REAL300000371662	0	36	-2.0	-92.77	350.49	3.80	-88.97
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000371663	0	39	-2.0	-114.68	362.33	4.43	-110.25
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000371664	0	32	-2.0	-105.61	321.84	3.35	-102.26
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1O	REAL300000371665	0	32	-2.0	-92.26	326.26	4.03	-88.23
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1O	REAL300000371666	0	32	-2.0	-94.36	317.71	3.50	-90.86
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1O	REAL300000371667	0	29	-2.0	-96.23	305.47	2.59	-93.64
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1O	REAL300000371668	0	32	-2.0	-98.69	319.61	3.52	-95.17
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1O	REAL300000371669	0	35	-2.0	-105.67	338.96	4.15	-101.52
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1O	REAL300000371670	0	32	-2.0	-94.32	318.67	3.53	-90.79
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1O	REAL300000371671	0	32	-2.0	-92.38	325.69	3.86	-88.52
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1O	REAL300000371672	0	35	-2.0	-101.39	342.67	4.66	-96.73
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1O	REAL300000371673	0	40	-2.0	-91.22	376.93	4.87	-86.35
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000371674	0	32	-2.0	-95.52	324.02	3.55	-91.97
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1O	REAL300000371675	0	34	-2.0	-91.71	341.39	4.13	-87.58
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1O	REAL300000371676	0	33	-2.0	-108.15	322.93	1.16	-106.99
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1O	REAL300000371677	0	35	-2.0	-98.57	335.37	4.23	-94.34
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000371678	0	32	-2.0	-96.92	333.91	3.99	-92.93
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1O	REAL300000371679	0	35	-2.0	-102.19	323.26	4.11	-98.08
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000371680	0	35	-2.0	-106.89	338.03	4.11	-102.78
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C)=C1O	REAL300000371681	0	35	-2.0	-95.23	328.63	4.23	-91.00
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)=CC(C(=O)[O-])=C1C	REAL300000371682	0	38	-2.0	-109.38	346.07	4.53	-104.85
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1O	REAL300000371683	0	34	-2.0	-104.50	339.75	4.55	-99.95
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1O	REAL300000371684	0	32	-2.0	-95.99	324.95	3.58	-92.41
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1O	REAL300000371685	0	38	-2.0	-106.84	346.75	4.87	-101.97
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000371686	0	35	-2.0	-105.31	334.68	4.06	-101.25
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1O	REAL300000371687	0	35	-2.0	-104.15	344.99	4.59	-99.56
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)=C1	REAL300000371688	0	35	-2.0	-110.61	338.25	4.15	-106.46
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000371689	0	38	-2.0	-108.13	347.50	4.64	-103.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)C=C1CC(=O)[O-]	REAL300000371690	0	39	-2.0	-108.48	363.66	3.59	-104.89
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1O	REAL300000371691	0	35	-2.0	-95.90	339.48	4.63	-91.27
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000371692	0	35	-2.0	-105.64	344.42	4.42	-101.22
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000371693	0	36	-2.0	-106.12	341.23	3.67	-102.45
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1O	REAL300000371694	0	44	-2.0	-107.01	378.12	6.31	-100.70
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000371695	0	35	-2.0	-99.84	343.06	4.42	-95.42
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)=CC=C1C(=O)[O-]	REAL300000371696	0	35	-2.0	-94.79	329.21	4.00	-90.79
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C)=C1O	REAL300000371697	0	35	-2.0	-104.74	333.16	4.27	-100.47
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1O	REAL300000371698	0	34	-2.0	-112.37	336.96	5.31	-107.06
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1O	REAL300000371699	0	32	-2.0	-109.73	316.86	3.48	-106.25
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000371700	0	35	-2.0	-98.17	334.37	4.03	-94.14
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1O	REAL300000371701	0	38	-2.0	-114.47	354.25	5.58	-108.89
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1O	REAL300000371702	0	31	-2.0	-104.38	309.43	1.57	-102.81
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C)=C1O	REAL300000371703	0	36	-2.0	-98.86	341.41	3.25	-95.61
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1O	REAL300000371704	0	29	-2.0	-94.83	313.31	2.42	-92.41
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1O	REAL300000371705	0	39	-2.0	-100.98	359.34	5.34	-95.64
CC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1O	REAL300000371706	0	39	-2.0	-104.40	357.29	5.32	-99.08
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2O)C=C(C(=O)[O-])O1	REAL300000371707	0	35	-2.0	-102.01	335.33	3.44	-98.57
O=C([O-])C1=CC(OC2CCCCC2)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000371708	0	42	-2.0	-120.67	372.13	7.07	-113.60
O=C([O-])C1=CC(OC2CCCCC2)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000371709	1	45	-2.0	-123.39	380.22	8.06	-115.33
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC3CCCCC3)C=C2C(=O)[O-])C=N1	REAL300000371711	0	45	-2.0	-118.91	384.67	5.76	-113.15
O=C([O-])C1=CC(OC2CCCCC2)=C(F)C=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000371712	0	42	-2.0	-115.57	361.71	4.45	-111.12
CN1C=NC(S(=O)(=O)[N-]C2=CC(F)=C(OC3CCCCC3)C=C2C(=O)[O-])=C1	REAL300000371713	0	45	-2.0	-133.88	384.42	7.14	-126.74
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC2CCCCC2)C=C1C(=O)[O-]	REAL300000371714	0	45	-2.0	-116.78	380.59	5.11	-111.67
CN1C=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC3CCCCC3)C=C2C(=O)[O-])=N1	REAL300000371716	0	45	-2.0	-128.81	385.07	5.60	-123.21
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC2CCCCC2)C=C1C(=O)[O-]	REAL300000371717	0	45	-2.0	-114.08	380.44	5.70	-108.38
O=C([O-])C1=CC(OC2CCCCC2)=C(F)C=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000371719	0	42	-2.0	-128.16	361.42	5.46	-122.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC3CCCCC3)C=C2C(=O)[O-])O1	REAL300000371725	0	45	-2.0	-122.38	384.79	6.89	-115.49
O=C([O-])C1=CC(OC2CCCCC2)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000371726	0	42	-2.0	-120.68	362.80	6.05	-114.63
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC2CCCCC2)C=C1C(=O)[O-]	REAL300000371727	0	44	-2.0	-108.11	373.65	4.53	-103.58
O=C([O-])C1=CC(OC2CCCCC2)=C(F)C=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000371730	0	42	-2.0	-118.41	371.33	6.97	-111.44
O=C([O-])C1=CC(OC2CCCCC2)=C(F)C=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000371731	0	42	-2.0	-118.71	362.74	5.95	-112.76
O=C([O-])C1=CC(OC2CCCCC2)=C(F)C=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000371732	0	42	-2.0	-122.51	361.83	4.64	-117.87
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC2CCCCC2)C=C1C(=O)[O-]	REAL300000371734	0	44	-2.0	-111.86	378.99	5.97	-105.89
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC3CCCCC3)C=C2C(=O)[O-])N=N1	REAL300000371735	0	44	-2.0	-123.61	379.03	4.38	-119.23
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(OC3CCCCC3)C=C2C(=O)[O-])N=CN1	REAL300000371736	0	45	-2.0	-129.90	379.23	6.16	-123.74
CC1=COC(S(=O)(=O)[N-]C2=CC(F)=C(OC3CCCCC3)C=C2C(=O)[O-])=C1	REAL300000371737	0	45	-2.0	-121.45	384.70	6.73	-114.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)=CC=C1F	REAL300000371738	1	45	-2.0	-105.99	392.07	7.80	-98.19
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)=C1	REAL300000371740	1	45	-2.0	-108.71	387.54	7.77	-100.94
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)=C1	REAL300000371742	0	45	-2.0	-106.15	393.01	7.83	-98.32
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)=C1	REAL300000371743	0	42	-2.0	-102.88	380.72	6.78	-96.10
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(COC2CCCC2)C=C1	REAL300000371744	1	48	-2.0	-109.53	402.97	8.55	-100.98
CN1C=C(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000371745	1	46	-2.0	-107.50	393.93	7.15	-100.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)=C1	REAL300000371746	0	45	-2.0	-99.54	396.67	7.46	-92.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)=CS1	REAL300000371747	0	42	-2.0	-105.43	378.93	6.83	-98.60
CC1=C(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000371748	0	45	-2.0	-102.64	390.54	6.90	-95.74
CC1=C(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)C=C(C(=O)[O-])S1	REAL300000371749	1	45	-2.0	-105.98	396.14	7.66	-98.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)C=C1F	REAL300000371750	1	45	-2.0	-95.77	392.05	7.81	-87.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)S1	REAL300000371751	0	42	-2.0	-98.24	379.81	6.90	-91.34
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)=C1	REAL300000371752	1	45	-2.0	-99.46	393.94	7.84	-91.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)C(F)=C1	REAL300000371753	0	45	-2.0	-95.92	393.00	7.84	-88.08
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)=C1	REAL300000371754	0	46	-2.0	-108.63	397.25	5.48	-103.15
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(COC3CCCC3)C=C2)=C1	REAL300000371754	1	46	-2.0	-105.00	396.44	6.27	-98.73
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)C=C1	REAL300000371755	1	48	-2.0	-100.03	409.70	8.56	-91.47
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(COC2CCCC2)C=C1	REAL300000371756	1	48	-2.0	-106.62	401.36	8.51	-98.11
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000371758	1	49	-2.0	-108.44	415.56	7.98	-100.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)=C1F	REAL300000371760	0	45	-2.0	-113.71	391.15	7.80	-105.91
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)=C1	REAL300000371761	0	44	-2.0	-107.08	383.75	5.88	-101.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)=C(Cl)O1	REAL300000371762	0	42	-2.0	-96.51	387.69	6.75	-89.76
CCC1=C(S(=O)(=O)[N-]C2=CC=C(COC3CCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000371763	0	48	-2.0	-102.50	409.66	7.76	-94.74
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000371764	0	39	-2.0	-95.11	367.81	0.23	-94.88
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000371765	0	32	-2.0	-111.32	315.89	1.67	-109.65
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)N=C1	REAL300000371766	0	40	-2.0	-111.13	370.97	2.75	-108.38
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000371767	0	32	-2.0	-101.72	311.34	1.65	-100.07
CN1C=C(C(=O)[N-]NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000371767	1	32	-2.0	-97.12	312.27	0.65	-96.47
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000371768	0	32	-2.0	-113.55	311.35	1.64	-111.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)N=C1	REAL300000371769	0	36	-2.0	-117.57	339.49	1.45	-116.12
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000371770	0	36	-2.0	-100.98	342.80	2.93	-98.05
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371771	0	35	-2.0	-116.18	331.42	2.29	-113.89
CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371771	1	35	-2.0	-110.30	328.31	1.18	-109.12
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000371772	0	32	-2.0	-108.26	324.42	2.20	-106.06
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000371773	0	32	-2.0	-109.57	323.86	2.03	-107.54
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=N1	REAL300000371774	0	32	-2.0	-104.10	336.92	2.57	-101.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)=C1C	REAL300000371775	0	38	-2.0	-114.80	343.75	2.93	-111.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[N-]C(=O)C2=CN(C)N=C2)=C1C	REAL300000371775	1	38	-2.0	-103.64	331.67	2.61	-101.03
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000371776	0	32	-2.0	-109.68	316.83	1.70	-107.98
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000371777	0	38	-2.0	-99.99	354.92	3.23	-96.76
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000371778	0	29	-2.0	-107.87	304.53	0.66	-107.21
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)N=C1	REAL300000371779	0	35	-2.0	-112.99	326.79	2.41	-110.58
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CN(C)N=C1	REAL300000371779	1	35	-2.0	-102.06	314.66	2.08	-99.98
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000371780	0	36	-2.0	-99.74	342.42	1.93	-97.81
CN1C=C(C(=O)[N-]NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000371780	1	36	-2.0	-95.03	343.36	0.93	-94.10
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000371781	0	33	-2.0	-112.36	317.99	1.00	-111.36
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)N=C1	REAL300000371782	0	36	-2.0	-113.66	335.55	0.45	-113.21
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CN(C)N=C1	REAL300000371782	1	36	-2.0	-103.15	323.54	0.11	-103.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)=C1	REAL300000371783	0	32	-2.0	-104.25	320.47	1.33	-102.92
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371784	0	38	-2.0	-114.36	342.42	2.91	-111.45
CC1=CC(C)=C(S(=O)(=O)N[N-]C(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371784	1	38	-2.0	-107.77	343.70	1.95	-105.82
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000371785	0	29	-2.0	-109.35	303.00	0.68	-108.67
COC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000371786	0	40	-2.0	-113.97	369.66	1.45	-112.52
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371787	0	36	-2.0	-119.53	338.63	1.71	-117.82
COC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371787	1	36	-2.0	-115.76	339.57	0.71	-115.05
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000371788	0	42	-2.0	-116.74	366.61	4.16	-112.58
CN1C=C(C(=O)[N-]NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000371788	1	42	-2.0	-110.51	367.24	3.19	-107.32
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)N=C1	REAL300000371789	0	41	-2.0	-114.88	365.25	3.61	-111.27
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CN(C)N=C1	REAL300000371789	1	41	-2.0	-108.97	366.39	2.60	-106.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)N=C1	REAL300000371790	0	38	-2.0	-110.85	341.50	3.16	-107.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CN(C)N=C1	REAL300000371790	1	38	-2.0	-105.98	342.15	2.31	-103.67
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)N=C1	REAL300000371791	0	39	-2.0	-119.32	361.78	2.21	-117.11
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000371792	0	34	-3.0	-188.98	339.77	2.21	-186.77
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000371793	0	39	-2.0	-117.07	355.60	3.52	-113.55
CN1C=C(C(=O)[N-]NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000371793	1	39	-2.0	-110.08	355.21	2.56	-107.52
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C=C(C(=O)[O-])O1	REAL300000371794	0	32	-2.0	-106.83	314.37	0.79	-106.04
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000371795	0	38	-2.0	-118.57	353.52	1.41	-117.16
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)=C1	REAL300000371796	0	36	-2.0	-116.40	340.26	0.74	-115.66
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000371797	0	40	-2.0	-100.94	364.98	2.26	-98.68
CN1C=C(C(=O)[N-]NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000371797	1	40	-2.0	-96.09	365.20	1.25	-94.84
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000371798	0	32	-2.0	-103.51	339.03	2.49	-101.02
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000371799	0	32	-2.0	-105.22	328.94	2.22	-103.00
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000371800	0	36	-2.0	-98.39	358.45	2.46	-95.93
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000371801	0	39	-2.0	-100.22	362.50	2.63	-97.59
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CN(C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000371801	1	39	-2.0	-95.47	363.43	1.64	-93.83
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)N=C1	REAL300000371802	0	35	-2.0	-104.10	332.06	2.44	-101.66
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000371803	0	45	-2.0	-100.03	404.94	3.56	-96.47
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CN(C)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000371803	1	45	-2.0	-94.97	405.88	2.57	-92.40
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000371804	0	36	-2.0	-99.40	348.64	1.99	-97.41
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371805	0	39	-2.0	-120.24	360.49	2.62	-117.62
CCOC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371805	1	39	-2.0	-111.21	361.42	1.62	-109.59
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C=C(C(=O)[O-])S1	REAL300000371806	0	32	-2.0	-109.79	319.95	1.54	-108.25
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000371807	0	32	-2.0	-102.36	339.57	2.65	-99.71
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000371808	0	32	-2.0	-99.33	324.40	2.19	-97.14
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000371809	0	32	-2.0	-101.37	315.88	1.68	-99.69
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000371810	0	29	-2.0	-103.03	303.62	0.77	-102.26
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000371811	0	32	-2.0	-104.67	317.76	1.71	-102.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)=C1F	REAL300000371812	0	35	-2.0	-111.04	337.11	2.34	-108.70
COC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000371813	0	36	-2.0	-104.00	351.66	2.25	-101.75
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000371814	0	32	-2.0	-101.11	316.84	1.71	-99.40
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000371815	0	32	-2.0	-99.34	323.85	2.04	-97.30
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)N=C1	REAL300000371816	0	35	-2.0	-105.67	340.79	2.83	-102.84
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000371817	0	40	-2.0	-97.77	375.10	3.05	-94.72
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000371818	0	32	-2.0	-103.14	322.17	1.73	-101.41
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000371819	0	34	-2.0	-98.91	339.54	2.31	-96.60
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000371820	0	33	-2.0	-111.17	321.06	-0.64	-111.81
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=N1	REAL300000371820	1	32	-3.0	-208.92	317.50	0.23	-208.69
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000371821	0	35	-2.0	-104.08	333.52	2.43	-101.65
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000371822	0	32	-2.0	-104.51	332.06	2.17	-102.34
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)N=C1	REAL300000371823	0	35	-2.0	-111.07	321.42	2.26	-108.81
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[N-]C(=O)C1=CN(C)N=C1	REAL300000371823	1	35	-2.0	-107.42	309.46	1.94	-105.48
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000371824	0	35	-2.0	-112.72	336.19	2.29	-110.43
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)N=C1	REAL300000371825	0	35	-2.0	-101.61	326.76	2.40	-99.21
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[N-]C(=O)C1=CN(C)N=C1	REAL300000371825	1	35	-2.0	-96.17	314.63	2.07	-94.10
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000371826	0	38	-2.0	-118.16	348.15	2.81	-115.35
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CN(C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000371826	1	38	-2.0	-113.50	349.09	1.82	-111.68
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000371827	0	34	-2.0	-112.33	337.91	2.74	-109.59
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000371828	0	32	-2.0	-101.93	323.11	1.77	-100.16
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000371829	0	38	-2.0	-115.44	344.74	2.97	-112.47
CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CN(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000371829	1	38	-2.0	-112.28	333.41	2.68	-109.60
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371830	0	35	-2.0	-110.74	332.83	2.24	-108.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)=C1Cl	REAL300000371831	0	35	-2.0	-109.94	343.11	2.76	-107.18
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)=C1	REAL300000371832	0	35	-2.0	-119.58	336.37	2.33	-117.25
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371833	0	38	-2.0	-115.38	345.29	2.83	-112.55
CCC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371833	1	38	-2.0	-110.73	346.53	1.83	-108.90
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C=C1CC(=O)[O-]	REAL300000371834	0	39	-2.0	-114.22	361.82	1.77	-112.45
COC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CN(C)N=C2)C=C1CC(=O)[O-]	REAL300000371834	1	39	-2.0	-107.95	362.75	0.78	-107.17
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)N=C1	REAL300000371835	0	35	-2.0	-104.10	337.62	2.74	-101.36
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000371836	0	35	-2.0	-98.39	341.46	2.45	-95.94
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000371837	0	35	-2.0	-111.35	342.57	2.60	-108.75
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371838	0	36	-2.0	-113.68	339.38	1.86	-111.82
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000371839	0	44	-2.0	-116.22	375.75	4.47	-111.75
CC1=CC(C)=C(S(=O)(=O)N[N-]C(=O)C2=CN(C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000371839	1	44	-2.0	-112.10	375.61	3.68	-108.42
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000371840	0	32	-2.0	-100.74	336.93	2.20	-98.54
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371841	0	35	-2.0	-108.38	345.10	2.71	-105.67
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300000371842	0	41	-2.0	-109.79	361.07	3.56	-106.23
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371843	0	36	-2.0	-113.82	351.67	2.26	-111.56
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300000371844	0	35	-2.0	-101.76	327.36	2.18	-99.58
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300000371844	1	35	-2.0	-97.07	328.29	1.19	-95.88
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000371845	0	37	-2.0	-105.03	354.63	3.70	-101.33
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)N=C1	REAL300000371846	0	35	-2.0	-110.56	331.30	2.45	-108.11
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000371847	0	34	-2.0	-121.84	335.08	3.50	-118.34
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000371848	0	32	-2.0	-118.77	315.01	1.68	-117.09
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000371849	0	35	-2.0	-106.55	336.29	2.32	-104.23
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000371850	0	38	-2.0	-121.81	352.39	3.76	-118.05
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000371851	0	31	-2.0	-111.14	307.58	-0.23	-111.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)N=C1	REAL300000371852	0	36	-2.0	-105.61	339.57	1.45	-104.16
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000371853	0	29	-2.0	-101.19	311.50	0.63	-100.56
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000371854	0	39	-2.0	-107.45	357.48	3.53	-103.92
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000371855	0	39	-2.0	-112.78	356.79	3.53	-109.25
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)N=C2)C=C(C(=O)[O-])O1	REAL300000371856	0	35	-2.0	-106.44	333.47	1.57	-104.87
CC1=CC=CC(COC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=C1	REAL300000371857	1	45	-2.0	-97.83	398.32	8.96	-88.87
CC1=CC=CC(COC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300000371858	1	45	-2.0	-110.49	398.34	8.96	-101.53
CC1=CC=CC(COC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=C1	REAL300000371859	0	44	-2.0	-106.81	395.32	7.00	-99.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1OC(F)F	REAL300000371860	1	35	-2.0	-109.66	329.51	5.37	-104.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1OC(F)F	REAL300000371861	1	35	-2.0	-99.67	324.95	5.34	-94.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1OC(F)F	REAL300000371862	1	35	-2.0	-112.37	324.98	5.34	-107.03
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC(F)F)=C1	REAL300000371863	0	39	-2.0	-117.45	353.12	5.13	-112.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1OC(F)F	REAL300000371864	1	39	-2.0	-99.19	356.43	6.63	-92.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1OC(F)F	REAL300000371865	1	38	-2.0	-114.92	345.05	5.99	-108.93
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1OC(F)F	REAL300000371866	0	35	-2.0	-107.39	338.05	5.90	-101.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1OC(F)F	REAL300000371867	1	35	-2.0	-108.09	337.48	5.73	-102.36
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1OC(F)F	REAL300000371868	1	41	-2.0	-114.74	357.66	6.68	-108.06
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1OC(F)F	REAL300000371869	0	35	-2.0	-109.25	330.45	5.39	-103.86
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1OC(F)F	REAL300000371870	1	41	-2.0	-98.42	368.54	6.92	-91.50
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1OC(F)F	REAL300000371871	0	32	-2.0	-106.53	318.16	4.35	-102.18
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1OC(F)F	REAL300000371872	1	38	-2.0	-112.56	340.41	6.11	-106.45
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1OC(F)F	REAL300000371874	0	36	-2.0	-110.72	331.62	4.69	-106.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(OC(F)F)=C2)=C1	REAL300000371876	0	35	-2.0	-102.64	334.10	5.03	-97.61
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1OC(F)F	REAL300000371878	0	32	-2.0	-107.99	316.63	4.36	-103.63
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1OC(F)F	REAL300000371880	1	44	-2.0	-114.85	378.88	7.33	-107.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC(F)F)=C1	REAL300000371881	1	41	-2.0	-110.67	355.13	7.05	-103.62
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1OC(F)F	REAL300000371882	1	42	-2.0	-117.00	369.24	7.24	-109.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000371883	0	35	-2.0	-105.62	327.99	4.48	-101.14
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C(OC(F)F)=C2)=C1	REAL300000371884	0	39	-2.0	-113.59	353.96	4.42	-109.17
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1OC(F)F	REAL300000371885	1	38	-2.0	-103.08	345.69	6.15	-96.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000371886	1	35	-2.0	-109.03	333.58	5.22	-103.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1OC(F)F	REAL300000371887	0	35	-2.0	-97.22	338.03	5.89	-91.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OC(F)F	REAL300000371888	1	35	-2.0	-98.99	329.50	5.38	-93.61
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1OC(F)F	REAL300000371889	0	32	-2.0	-101.37	317.25	4.47	-96.90
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OC(F)F	REAL300000371890	1	35	-2.0	-103.11	331.38	5.40	-97.71
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1OC(F)F	REAL300000371891	0	38	-2.0	-110.75	350.73	6.04	-104.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1OC(F)F	REAL300000371892	0	35	-2.0	-99.24	330.44	5.40	-93.84
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1OC(F)F	REAL300000371893	1	35	-2.0	-97.14	337.47	5.74	-91.40
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1OC(F)F	REAL300000371894	1	35	-2.0	-101.16	335.79	5.43	-95.73
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1OC(F)F	REAL300000371895	0	36	-2.0	-111.15	334.69	3.05	-108.10
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1OC(F)F	REAL300000371895	1	36	-2.0	-109.62	333.88	3.84	-105.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1OC(F)F	REAL300000371896	1	38	-2.0	-103.04	347.14	6.12	-96.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1OC(F)F	REAL300000371897	1	38	-2.0	-108.98	335.05	5.97	-103.01
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1OC(F)F	REAL300000371898	1	38	-2.0	-111.08	349.81	5.98	-105.10
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1OC(F)F	REAL300000371900	1	41	-2.0	-117.01	361.78	6.51	-110.50
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1OC(F)F	REAL300000371901	0	35	-2.0	-100.94	336.73	5.46	-95.48
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1OC(F)F	REAL300000371903	0	38	-2.0	-111.56	350.30	6.04	-105.52
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(OC(F)F)=C2)=C1	REAL300000371904	0	38	-2.0	-117.91	350.01	6.03	-111.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000371905	1	41	-2.0	-114.42	359.22	6.52	-107.90
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000371906	0	39	-2.0	-112.03	352.99	5.54	-106.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1OC(F)F	REAL300000371907	1	38	-2.0	-99.80	340.98	5.88	-93.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1OC(F)F	REAL300000371909	0	35	-2.0	-117.16	328.63	5.38	-111.78
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1OC(F)F	REAL300000371910	1	38	-2.0	-105.02	349.91	6.02	-99.00
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1OC(F)F	REAL300000371911	0	34	-2.0	-108.89	321.96	3.39	-105.50
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC(F)F)=C1	REAL300000371912	0	39	-2.0	-103.94	353.18	5.14	-98.80
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1OC(F)F	REAL300000371913	0	32	-2.0	-99.65	325.12	4.32	-95.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1OC(F)F	REAL300000371914	1	42	-2.0	-106.15	371.10	7.23	-98.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1OC(F)F	REAL300000371915	1	42	-2.0	-110.68	370.41	7.22	-103.46
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000371916	0	38	-2.0	-105.33	347.11	5.33	-100.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=CC=C1F	REAL300000371917	0	34	-2.0	-109.56	329.31	5.48	-104.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1	REAL300000371918	0	34	-2.0	-99.77	324.77	5.46	-94.31
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1	REAL300000371919	0	34	-2.0	-111.94	324.78	5.46	-106.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=N2)N=C1	REAL300000371920	0	38	-2.0	-117.04	352.92	5.26	-111.78
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1	REAL300000371921	0	38	-2.0	-99.16	356.23	6.76	-92.40
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000371922	0	37	-2.0	-113.06	340.80	5.99	-107.07
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1	REAL300000371923	0	34	-2.0	-107.43	337.85	6.02	-101.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=CC=C1Cl	REAL300000371924	0	34	-2.0	-107.77	337.29	5.84	-101.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1C	REAL300000371925	0	40	-2.0	-114.32	357.17	6.77	-107.55
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1	REAL300000371926	0	34	-2.0	-108.82	330.26	5.52	-103.30
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1	REAL300000371927	0	40	-2.0	-98.31	368.34	7.04	-91.27
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1	REAL300000371928	0	31	-2.0	-106.21	317.96	4.49	-101.72
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=N2)N=C1	REAL300000371929	0	37	-2.0	-112.55	340.21	6.25	-106.30
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1	REAL300000371930	0	38	-2.0	-97.85	355.85	5.74	-92.11
CN1C=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000371931	0	35	-2.0	-110.46	331.43	4.82	-105.64
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=N2)N=C1	REAL300000371932	0	38	-2.0	-113.01	348.99	4.28	-108.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1	REAL300000371933	0	34	-2.0	-102.40	333.89	5.14	-97.26
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000371934	0	40	-2.0	-113.70	356.24	6.77	-106.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=CS1	REAL300000371935	0	31	-2.0	-107.68	316.43	4.49	-103.19
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000371936	0	38	-2.0	-117.86	352.07	5.53	-112.33
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1	REAL300000371937	0	44	-2.0	-116.15	380.03	8.09	-108.06
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=N2)N=C1	REAL300000371938	0	43	-2.0	-114.57	378.69	7.46	-107.11
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=N2)N=C1	REAL300000371939	0	40	-2.0	-110.77	354.93	7.17	-103.60
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=N2)N=C1	REAL300000371940	0	41	-2.0	-117.72	375.21	6.03	-111.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=CC(C(=O)[O-])=C1	REAL300000371941	0	36	-3.0	-187.50	353.20	6.03	-181.47
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1	REAL300000371942	0	41	-2.0	-116.56	369.02	7.36	-109.20
CC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C(C(=O)[O-])O1	REAL300000371943	0	34	-2.0	-105.68	327.79	4.61	-101.07
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1	REAL300000371944	0	38	-2.0	-113.20	353.76	4.55	-108.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C(Cl)C=C1F	REAL300000371945	0	34	-2.0	-104.23	342.37	6.04	-98.19
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=CC=C1OCC(=O)[O-]	REAL300000371946	0	41	-2.0	-98.33	375.93	6.44	-91.89
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=N2)N=C1	REAL300000371947	0	37	-2.0	-103.21	345.49	6.28	-96.93
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1F	REAL300000371948	0	38	-2.0	-97.36	362.07	5.80	-91.56
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000371949	0	41	-2.0	-118.50	373.91	6.45	-112.05
CC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C(C(=O)[O-])S1	REAL300000371950	0	34	-2.0	-109.08	333.38	5.35	-103.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C(Cl)=C1	REAL300000371951	0	34	-2.0	-97.39	337.83	6.02	-91.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1F	REAL300000371952	0	34	-2.0	-99.24	329.30	5.50	-93.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)S1	REAL300000371953	0	31	-2.0	-101.22	317.05	4.58	-96.64
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1	REAL300000371954	0	34	-2.0	-102.90	331.18	5.53	-97.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1F	REAL300000371955	0	37	-2.0	-110.19	350.54	6.16	-104.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C(F)=C1	REAL300000371956	0	34	-2.0	-99.05	330.24	5.53	-93.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1Cl	REAL300000371957	0	34	-2.0	-97.22	337.28	5.86	-91.36
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=N2)N=C1	REAL300000371958	0	37	-2.0	-104.89	354.22	6.66	-98.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=CC(F)=C1F	REAL300000371959	0	34	-2.0	-101.13	335.59	5.56	-95.57
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1	REAL300000371960	0	36	-2.0	-96.98	352.97	6.12	-90.86
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1	REAL300000371961	0	35	-2.0	-111.32	334.49	3.18	-108.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1	REAL300000371962	0	37	-2.0	-102.81	346.95	6.24	-96.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=CC(Cl)=C1F	REAL300000371963	0	34	-2.0	-102.53	345.48	5.99	-96.54
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=N2)N=C1	REAL300000371964	0	37	-2.0	-108.53	334.85	6.08	-102.45
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000371965	0	37	-2.0	-110.83	349.63	6.10	-104.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=N2)N=C1	REAL300000371966	0	37	-2.0	-99.86	340.19	6.23	-93.63
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000371967	0	40	-2.0	-116.25	362.28	6.65	-109.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=CC=C1[N+](=O)[O-]	REAL300000371968	0	36	-2.0	-110.31	351.36	6.55	-103.76
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1	REAL300000371969	0	34	-2.0	-100.65	336.54	5.59	-95.06
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C(C)=C1C(=O)[O-]	REAL300000371970	0	40	-2.0	-112.66	359.26	6.83	-105.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000371971	0	37	-2.0	-109.93	346.25	6.06	-103.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1Cl	REAL300000371972	0	37	-2.0	-109.15	356.54	6.60	-102.55
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1	REAL300000371973	0	37	-2.0	-116.98	349.81	6.14	-110.84
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000371974	0	40	-2.0	-113.78	358.74	6.64	-107.14
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1CC(=O)[O-]	REAL300000371975	0	41	-2.0	-113.28	375.24	5.58	-107.70
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=N2)N=C1	REAL300000371976	0	37	-2.0	-102.57	355.32	6.71	-95.86
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000371977	0	37	-2.0	-109.58	356.02	6.41	-103.17
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000371978	0	38	-2.0	-111.80	352.80	5.68	-106.12
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000371979	0	37	-2.0	-106.41	358.52	6.52	-99.89
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=CC=C1C(=O)[O-]	REAL300000371980	0	37	-2.0	-99.80	340.78	6.01	-93.79
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=N2)N=C1	REAL300000371981	0	37	-2.0	-109.99	344.74	6.26	-103.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1[N+](=O)[O-]	REAL300000371982	0	36	-2.0	-119.52	348.51	7.31	-112.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1F	REAL300000371983	0	34	-2.0	-116.23	328.40	5.49	-110.74
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000371984	0	37	-2.0	-104.66	349.72	6.13	-98.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=CC2=CC=CC=C21	REAL300000371985	0	40	-2.0	-119.98	365.82	7.58	-112.40
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C1	REAL300000371986	0	33	-2.0	-109.40	321.00	3.59	-105.81
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=N2)N=C1	REAL300000371987	0	38	-2.0	-103.84	352.98	5.26	-98.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)=C(Cl)O1	REAL300000371988	0	31	-2.0	-99.67	324.93	4.45	-95.22
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(C4=CC=CC=N4)N=C3)C=C2)CC1	REAL300000371989	0	41	-2.0	-105.98	370.90	7.34	-98.64
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(C4=CC=CC=N4)N=C3)C=C2C1	REAL300000371990	0	41	-2.0	-109.78	370.21	7.34	-102.44
CCC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=N3)N=C2)C=C(C(=O)[O-])O1	REAL300000371991	0	37	-2.0	-105.50	346.91	5.46	-100.04
CS(=O)(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000371993	1	39	-2.0	-117.34	365.62	1.82	-115.52
CS(=O)(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000371995	0	36	-2.0	-111.63	358.78	0.84	-110.79
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CNS(C)(=O)=O)C=C1	REAL300000371996	1	42	-2.0	-118.81	381.03	2.61	-116.20
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CNS(C)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000371997	1	40	-2.0	-115.76	372.25	1.17	-114.59
CS(=O)(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000371998	0	36	-2.0	-110.15	357.26	0.86	-109.29
CC1=C(S(=O)(=O)[N-]C2=CC=C(CNS(C)(=O)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000371999	0	39	-2.0	-111.55	368.61	0.96	-110.59
CS(=O)(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000372000	0	36	-2.0	-106.91	357.87	0.96	-105.95
CS(=O)(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000372001	1	42	-2.0	-109.09	387.77	2.60	-106.49
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CNS(C)(=O)=O)C=C1	REAL300000372002	1	42	-2.0	-114.66	379.42	2.57	-112.09
CS(=O)(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000372005	0	38	-2.0	-112.17	361.82	-0.06	-112.23
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000372006	0	39	-2.0	-95.14	371.44	3.69	-91.45
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000372007	0	32	-2.0	-111.91	319.51	5.13	-106.78
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C=C1	REAL300000372008	0	40	-2.0	-112.90	374.60	6.20	-106.70
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=N1	REAL300000372009	0	32	-2.0	-109.53	331.40	5.81	-103.72
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000372010	0	32	-2.0	-101.75	314.97	5.11	-96.64
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000372011	0	32	-2.0	-114.49	314.98	5.10	-109.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C=C1	REAL300000372012	0	36	-2.0	-120.17	343.12	4.91	-115.26
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=N1	REAL300000372013	0	32	-2.0	-109.91	331.22	5.59	-104.32
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000372014	0	36	-2.0	-101.23	346.43	6.40	-94.83
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C1C(=O)[O-]	REAL300000372015	0	35	-2.0	-115.19	334.47	5.80	-109.39
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000372016	0	32	-2.0	-110.17	328.05	5.67	-104.50
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000372017	0	32	-2.0	-110.30	327.48	5.50	-104.80
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=N1	REAL300000372018	0	32	-2.0	-105.79	340.54	6.05	-99.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)=C1C	REAL300000372019	0	38	-2.0	-117.87	347.64	6.45	-111.42
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000372020	0	32	-2.0	-111.87	320.46	5.17	-106.70
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000372021	0	38	-2.0	-100.52	358.56	6.69	-93.83
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000372022	0	29	-2.0	-108.39	308.17	4.13	-104.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C=C1	REAL300000372023	0	35	-2.0	-115.68	330.39	5.88	-109.80
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000372024	0	36	-2.0	-99.88	346.05	5.39	-94.49
CN1C=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C1C(=O)[O-]	REAL300000372025	0	33	-2.0	-112.89	321.63	4.45	-108.44
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C=C1	REAL300000372026	0	36	-2.0	-116.36	338.76	3.94	-112.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)=C1	REAL300000372027	0	32	-2.0	-104.50	324.07	4.79	-99.71
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C1C(=O)[O-]	REAL300000372028	0	38	-2.0	-116.97	346.43	6.41	-110.56
N#CCCN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000372029	0	29	-2.0	-109.86	306.63	4.14	-105.72
COC1=CC(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000372030	0	40	-2.0	-114.94	373.31	4.91	-110.03
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C1C(=O)[O-]	REAL300000372031	0	36	-2.0	-119.68	342.27	5.17	-114.51
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000372032	0	42	-2.0	-119.62	370.21	7.73	-111.89
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C=C1	REAL300000372033	0	41	-2.0	-117.82	368.87	7.10	-110.72
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C=C1	REAL300000372034	0	38	-2.0	-113.96	345.12	6.82	-107.14
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C=C1	REAL300000372035	0	39	-2.0	-119.83	365.43	5.67	-114.16
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000372036	0	34	-3.0	-189.07	343.38	5.67	-183.40
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000372037	0	39	-2.0	-119.93	359.23	6.99	-112.94
CC1=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C(C(=O)[O-])O1	REAL300000372038	0	32	-2.0	-108.65	318.00	4.25	-104.40
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000372039	0	38	-2.0	-118.71	357.16	4.88	-113.83
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000372041	0	40	-2.0	-101.12	368.62	5.72	-95.40
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000372042	0	32	-2.0	-103.99	342.66	5.95	-98.04
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000372043	0	32	-2.0	-106.93	332.58	5.69	-101.24
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300000372044	0	36	-2.0	-98.32	362.07	5.93	-92.39
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)=CC=C1OCC(=O)[O-]	REAL300000372045	0	39	-2.0	-100.38	366.14	6.09	-94.29
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=N1	REAL300000372046	0	42	-2.0	-98.94	394.72	6.36	-92.58
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C=C1	REAL300000372047	0	35	-2.0	-106.17	335.69	5.92	-100.25
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)=CC=C1OCCCC(=O)[O-]	REAL300000372048	0	45	-2.0	-100.49	408.56	7.02	-93.47
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000372049	0	36	-2.0	-99.29	352.27	5.45	-93.84
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C1C(=O)[O-]	REAL300000372050	0	39	-2.0	-120.35	364.10	6.08	-114.27
CC1=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C(C(=O)[O-])S1	REAL300000372051	0	32	-2.0	-111.84	324.67	4.99	-106.85
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300000372052	0	32	-2.0	-103.90	343.21	6.11	-97.79
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000372053	0	32	-2.0	-99.13	328.03	5.65	-93.48
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=N1	REAL300000372054	0	32	-2.0	-98.57	331.38	5.81	-92.76
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000372055	0	32	-2.0	-101.15	319.49	5.14	-96.01
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000372056	0	29	-2.0	-103.05	307.24	4.23	-98.82
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000372057	0	32	-2.0	-104.77	321.38	5.17	-99.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)=C1F	REAL300000372058	0	35	-2.0	-113.28	340.73	5.81	-107.47
COC1=CC(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000372059	0	36	-2.0	-103.82	355.29	5.71	-98.11
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000372060	0	32	-2.0	-100.99	320.44	5.17	-95.82
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000372061	0	32	-2.0	-99.25	327.46	5.51	-93.74
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C=C1	REAL300000372062	0	35	-2.0	-107.87	344.45	6.30	-101.57
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000372063	0	40	-2.0	-97.92	378.71	6.51	-91.41
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=N1	REAL300000372064	0	32	-2.0	-98.82	331.20	5.60	-93.22
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000372065	0	32	-2.0	-103.46	325.80	5.20	-98.26
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000372066	0	34	-2.0	-98.98	343.17	5.77	-93.21
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000372067	0	33	-2.0	-114.56	324.70	2.83	-111.73
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000372068	0	35	-2.0	-105.43	337.17	5.89	-99.54
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000372069	0	32	-2.0	-104.88	335.69	5.63	-99.25
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CCC#N)C=C1	REAL300000372070	0	35	-2.0	-109.75	325.06	5.73	-104.02
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)=CC(C(=O)[O-])=C1F	REAL300000372071	0	35	-2.0	-113.37	339.81	5.75	-107.62
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCC#N)C=C1	REAL300000372072	0	35	-2.0	-102.04	330.40	5.87	-96.17
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)=CC(C(=O)[O-])=C1C	REAL300000372073	0	38	-2.0	-118.34	351.77	6.27	-112.07
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000372074	0	34	-2.0	-112.66	341.53	6.20	-106.46
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000372075	0	32	-2.0	-103.35	326.72	5.23	-98.12
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C(C)=C1C(=O)[O-]	REAL300000372076	0	38	-2.0	-116.04	351.70	6.04	-110.00
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C1C(=O)[O-]	REAL300000372077	0	35	-2.0	-113.00	336.45	5.70	-107.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)=C1Cl	REAL300000372078	0	35	-2.0	-111.98	346.74	6.23	-105.75
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C1C(=O)[O-]	REAL300000372080	0	38	-2.0	-116.35	348.91	6.29	-110.06
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C1CC(=O)[O-]	REAL300000372081	0	39	-2.0	-115.77	365.46	5.23	-110.54
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C=C1	REAL300000372082	0	35	-2.0	-103.11	341.23	6.29	-96.82
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300000372083	0	35	-2.0	-98.27	345.09	5.92	-92.35
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000372084	0	35	-2.0	-112.15	346.20	6.06	-106.09
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300000372085	0	32	-2.0	-106.63	336.27	5.72	-100.91
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C1C(=O)[O-]	REAL300000372086	0	36	-2.0	-114.20	343.00	5.33	-108.87
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=N1	REAL300000372088	0	32	-2.0	-102.06	340.59	5.66	-96.40
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C1C(=O)[O-]	REAL300000372089	0	35	-2.0	-105.38	344.81	6.07	-99.31
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C(C(=O)[O-])S1	REAL300000372090	0	41	-2.0	-111.61	364.41	7.20	-104.41
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C1C(=O)[O-]	REAL300000372091	0	36	-2.0	-115.80	355.31	5.72	-110.08
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)=CC=C1C(=O)[O-]	REAL300000372092	0	35	-2.0	-101.93	330.98	5.65	-96.28
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000372093	0	37	-2.0	-105.91	358.25	7.29	-98.62
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C=C1	REAL300000372094	0	35	-2.0	-113.33	334.52	5.94	-107.39
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000372095	0	34	-2.0	-120.23	338.70	6.97	-113.26
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000372096	0	32	-2.0	-117.46	318.64	5.14	-112.32
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C1C(=O)[O-]	REAL300000372097	0	35	-2.0	-103.33	336.51	5.63	-97.70
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000372098	0	38	-2.0	-122.04	356.02	7.22	-114.82
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000372099	0	31	-2.0	-111.85	311.97	3.16	-108.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCC#N)C=C1	REAL300000372100	0	36	-2.0	-106.01	343.17	4.91	-101.10
N#CCCN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000372101	0	29	-2.0	-101.99	315.12	4.08	-97.91
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000372102	0	39	-2.0	-108.57	361.10	6.99	-101.58
N#CCCN1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000372103	0	39	-2.0	-111.49	360.42	6.99	-104.50
CCC1=C(S(=O)(=O)[N-]C2=NN(CCC#N)C=C2)C=C(C(=O)[O-])O1	REAL300000372104	0	35	-2.0	-108.43	337.10	5.10	-103.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)N3CCOCC3)N=C2)C=C1	REAL300000372105	0	43	-2.0	-107.15	380.98	2.85	-104.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC(=O)N3CCOCC3)N=C2)=C1	REAL300000372106	0	43	-2.0	-118.72	380.99	2.84	-115.88
CN1C=C(S(=O)(=O)[N-]C2=CN(CC(=O)N3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000372107	0	44	-2.0	-117.31	387.59	2.18	-115.13
CC1=C(S(=O)(=O)[N-]C2=CN(CC(=O)N3CCOCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000372108	0	43	-2.0	-113.48	383.96	1.97	-111.51
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC(=O)N3CCOCC3)N=C2)=C1	REAL300000372109	0	42	-2.0	-116.51	377.17	0.95	-115.56
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372110	1	46	-2.0	-118.82	389.01	8.07	-110.75
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372111	1	43	-2.0	-118.21	373.57	7.30	-110.91
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1	REAL300000372114	0	37	-2.0	-115.52	327.29	6.92	-108.60
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300000372115	0	40	-2.0	-101.38	358.80	6.23	-95.15
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1	REAL300000372116	0	36	-2.0	-99.57	332.41	5.31	-94.26
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=C1	REAL300000372117	1	38	-2.0	-111.21	339.63	7.04	-104.17
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C=C1	REAL300000372118	1	38	-2.0	-100.68	339.60	7.04	-93.64
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1	REAL300000372119	0	37	-2.0	-105.80	342.77	7.26	-98.54
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=C1	REAL300000372120	0	38	-2.0	-116.63	336.87	6.92	-109.71
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C=C1	REAL300000372121	0	37	-2.0	-109.28	337.03	7.37	-101.91
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000372122	0	40	-2.0	-102.54	358.34	7.10	-95.44
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000372122	1	39	-3.0	-180.30	351.78	7.24	-173.06
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1	REAL300000372124	1	46	-2.0	-105.97	381.61	6.57	-99.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000372125	1	42	-2.0	-106.93	367.44	7.97	-98.96
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372126	0	40	-2.0	-103.11	336.75	4.50	-98.61
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300000372127	1	40	-2.0	-100.17	357.54	7.64	-92.53
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000372129	0	40	-2.0	-96.99	355.50	7.13	-89.86
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372130	0	45	-2.0	-116.85	378.28	5.76	-111.09
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1OC	REAL300000372131	1	45	-2.0	-112.54	377.51	5.85	-106.69
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372133	0	39	-2.0	-99.13	333.62	5.64	-93.49
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1	REAL300000372134	1	37	-2.0	-99.62	352.45	7.65	-91.97
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000372135	0	40	-2.0	-135.80	349.94	7.17	-128.63
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000372135	1	39	-3.0	-184.73	349.00	7.25	-177.48
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300000372136	1	37	-2.0	-98.62	333.24	6.80	-91.82
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C1	REAL300000372137	0	37	-2.0	-111.00	350.40	7.78	-103.22
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300000372138	1	40	-2.0	-110.69	357.52	7.65	-103.04
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372139	1	40	-2.0	-115.99	341.94	7.36	-108.63
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C1	REAL300000372141	0	40	-2.0	-112.28	346.41	8.06	-104.22
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1	REAL300000372142	1	37	-2.0	-111.60	337.26	7.21	-104.39
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372143	1	42	-2.0	-106.25	359.25	7.04	-99.21
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372144	1	43	-2.0	-115.67	355.68	8.08	-107.59
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1	REAL300000372146	1	37	-2.0	-98.91	343.13	7.24	-91.67
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372147	1	42	-2.0	-124.96	359.27	7.03	-117.93
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372149	0	43	-2.0	-122.01	365.78	8.06	-113.95
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372150	1	46	-2.0	-102.42	395.41	8.24	-94.18
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C1	REAL300000372151	0	37	-2.0	-106.65	347.10	7.65	-99.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000372152	1	43	-2.0	-112.08	374.29	7.39	-104.69
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372153	1	49	-2.0	-107.74	394.99	8.97	-98.77
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372155	1	49	-2.0	-107.56	397.47	9.23	-98.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372156	0	43	-3.0	-180.23	375.40	7.00	-173.23
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372156	1	44	-2.0	-105.07	378.13	6.96	-98.11
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000372157	0	44	-2.0	-99.55	385.22	8.38	-91.17
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000372157	1	43	-3.0	-162.30	380.45	8.54	-153.76
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C1	REAL300000372158	0	37	-2.0	-109.59	344.14	8.00	-101.59
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1	REAL300000372159	0	34	-2.0	-106.64	329.52	6.30	-100.34
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372161	0	41	-2.0	-115.02	347.05	6.43	-108.59
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000372162	0	43	-2.0	-133.71	371.75	7.63	-126.08
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1	REAL300000372163	0	37	-2.0	-103.33	336.89	6.83	-96.50
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1	REAL300000372164	1	37	-2.0	-100.21	354.00	7.70	-92.51
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1	REAL300000372165	0	37	-2.0	-110.12	333.67	7.24	-102.88
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C=C1	REAL300000372166	1	37	-2.0	-111.47	341.83	7.32	-104.15
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300000372167	1	39	-2.0	-111.94	347.00	7.32	-104.62
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372168	1	42	-2.0	-112.45	362.50	8.08	-104.37
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C=C1	REAL300000372169	1	39	-2.0	-106.12	361.20	7.74	-98.38
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300000372170	0	34	-2.0	-107.02	312.47	5.68	-101.34
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300000372172	0	39	-2.0	-120.57	339.90	8.05	-112.52
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000372173	0	39	-3.0	-180.42	362.07	7.82	-172.60
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000372173	1	40	-2.0	-121.52	364.72	7.78	-113.74
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000372174	0	40	-2.0	-99.74	368.06	7.52	-92.22
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000372174	1	39	-3.0	-179.24	359.75	7.60	-171.64
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1	REAL300000372177	0	37	-2.0	-105.13	332.45	6.80	-98.33
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1	REAL300000372178	1	37	-2.0	-111.81	326.94	6.76	-105.05
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1	REAL300000372179	0	37	-2.0	-99.52	333.35	6.82	-92.70
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1	REAL300000372181	1	43	-2.0	-108.90	365.03	5.84	-103.06
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372183	1	52	-2.0	-117.77	412.24	9.79	-107.98
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1	REAL300000372184	1	37	-2.0	-101.72	335.52	7.17	-94.55
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C=C1	REAL300000372185	1	37	-2.0	-101.66	340.08	7.27	-94.39
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300000372186	0	39	-2.0	-97.21	348.76	7.35	-89.86
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300000372187	1	37	-2.0	-109.07	320.55	6.67	-102.40
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372188	1	44	-2.0	-112.97	374.85	5.54	-107.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300000372189	0	37	-2.0	-108.09	334.36	6.48	-101.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1C	REAL300000372190	0	46	-2.0	-107.35	382.25	8.49	-98.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1C	REAL300000372190	1	45	-3.0	-176.89	379.92	8.56	-168.33
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372191	0	41	-2.0	-108.73	365.53	6.99	-101.74
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1	REAL300000372192	0	39	-2.0	-112.48	355.81	8.59	-103.89
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000372193	0	39	-3.0	-181.27	352.73	7.26	-174.01
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=C1	REAL300000372194	0	34	-2.0	-105.40	341.63	6.79	-98.61
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372196	1	42	-2.0	-103.70	359.40	8.04	-95.66
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1	REAL300000372197	0	37	-2.0	-113.90	332.45	6.82	-107.08
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000372198	0	46	-2.0	-96.83	399.09	8.70	-88.13
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000372198	1	45	-3.0	-161.39	392.57	8.83	-152.56
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372199	1	47	-2.0	-112.72	395.43	6.35	-106.37
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1	REAL300000372200	1	41	-2.0	-104.04	354.54	3.46	-100.58
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372201	1	41	-2.0	-105.79	358.98	7.67	-98.12
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1	REAL300000372202	1	42	-2.0	-104.67	360.83	5.10	-99.57
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=C1	REAL300000372203	1	45	-2.0	-105.96	378.61	5.82	-100.14
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000372205	0	36	-3.0	-176.01	340.44	6.21	-169.80
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1	REAL300000372206	1	40	-2.0	-102.71	350.54	4.13	-98.58
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372208	0	43	-2.0	-132.64	367.19	7.99	-124.65
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372208	1	42	-3.0	-186.35	364.43	8.04	-178.31
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372209	0	43	-2.0	-107.55	357.24	5.71	-101.84
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1C	REAL300000372210	1	45	-2.0	-104.41	381.53	8.70	-95.71
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372211	1	43	-2.0	-103.55	375.30	7.35	-96.20
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372212	1	44	-2.0	-106.85	375.22	4.93	-101.92
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C=C1	REAL300000372213	1	42	-2.0	-108.97	374.72	1.64	-107.33
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372214	0	46	-2.0	-119.04	392.66	8.35	-110.69
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C=C1	REAL300000372215	1	41	-2.0	-106.82	353.29	3.43	-103.39
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1	REAL300000372217	1	43	-2.0	-111.76	366.48	8.95	-102.81
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=CS1	REAL300000372218	0	40	-2.0	-117.81	358.37	6.94	-110.87
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372219	1	47	-2.0	-106.82	395.35	7.16	-99.66
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000372221	0	44	-2.0	-96.74	384.84	7.37	-89.37
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300000372223	1	37	-2.0	-101.01	325.19	6.72	-94.29
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1	REAL300000372224	0	37	-2.0	-112.85	324.29	6.69	-106.16
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C1	REAL300000372225	1	42	-2.0	-104.56	362.92	7.19	-97.37
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372226	0	43	-2.0	-121.00	371.64	5.23	-115.77
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)=C2N=C1	REAL300000372227	0	45	-2.0	-124.43	380.13	7.92	-116.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(Cl)=C1	REAL300000372229	0	40	-2.0	-109.98	355.09	7.90	-102.08
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C=C1	REAL300000372230	1	43	-2.0	-104.81	371.26	3.91	-100.90
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C=C1	REAL300000372231	1	42	-2.0	-118.15	372.97	1.61	-116.54
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)=CC=C21	REAL300000372232	1	45	-2.0	-105.07	382.09	7.10	-97.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C([N+](=O)[O-])=C1	REAL300000372233	0	43	-2.0	-114.98	368.55	7.35	-107.63
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C=C1	REAL300000372234	1	42	-2.0	-101.48	366.47	8.15	-93.33
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)=CC=C21	REAL300000372235	1	43	-2.0	-106.11	374.65	6.64	-99.47
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C=C1	REAL300000372236	1	43	-2.0	-112.55	379.49	4.17	-108.38
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C1	REAL300000372238	1	47	-2.0	-117.65	390.43	10.56	-107.09
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1	REAL300000372239	0	37	-2.0	-102.19	340.07	7.30	-94.89
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000372240	0	44	-2.0	-119.70	380.65	5.57	-114.13
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C=C1	REAL300000372241	1	43	-2.0	-122.11	381.23	4.22	-117.89
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1OC	REAL300000372243	0	45	-2.0	-108.60	383.00	5.90	-102.70
CN1C=C(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000372245	0	41	-2.0	-101.52	360.52	6.43	-95.09
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000372245	1	40	-3.0	-173.40	355.65	6.59	-166.81
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1Cl	REAL300000372246	0	37	-2.0	-114.73	338.01	6.25	-108.48
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(N)=O	REAL300000372247	0	42	-2.0	-105.95	360.73	2.79	-103.16
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372248	0	44	-2.0	-107.13	373.30	6.00	-101.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1Cl	REAL300000372250	1	41	-2.0	-104.64	366.05	6.53	-98.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1F	REAL300000372251	1	41	-2.0	-104.42	356.25	6.06	-98.36
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(N)=O	REAL300000372254	1	44	-2.0	-102.98	369.39	4.10	-98.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(N)=O	REAL300000372255	1	45	-2.0	-104.70	380.60	4.03	-100.67
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300000372256	0	37	-2.0	-105.98	325.09	4.40	-101.58
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372257	1	42	-2.0	-96.83	364.25	8.13	-88.70
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CN1C	REAL300000372259	0	45	-2.0	-107.12	384.42	4.33	-102.79
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372260	1	40	-2.0	-111.49	351.00	7.93	-103.56
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)C=N2)C=C1	REAL300000372262	0	47	-2.0	-106.14	402.51	8.47	-97.67
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372265	0	39	-3.0	-165.37	356.36	6.88	-158.49
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C=C1	REAL300000372266	1	38	-2.0	-97.97	356.75	7.49	-90.48
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C=C1	REAL300000372267	1	38	-2.0	-98.45	356.72	7.50	-90.95
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000372268	0	46	-2.0	-106.00	380.58	8.55	-97.45
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1	REAL300000372269	1	41	-2.0	-114.38	358.91	7.05	-107.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1Cl	REAL300000372270	1	40	-2.0	-106.43	356.02	7.78	-98.65
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1	REAL300000372271	0	37	-2.0	-110.62	342.22	7.24	-103.38
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372273	0	43	-2.0	-102.93	377.01	7.13	-95.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000372274	1	47	-2.0	-114.49	389.91	8.34	-106.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1F	REAL300000372275	1	40	-2.0	-105.62	345.52	7.34	-98.28
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372276	1	40	-2.0	-101.49	351.00	7.93	-93.56
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372277	0	40	-2.0	-113.14	345.70	7.37	-105.77
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372278	1	40	-2.0	-111.86	340.67	7.48	-104.38
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)C=C1	REAL300000372279	1	43	-2.0	-107.35	380.58	8.75	-98.60
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372280	0	42	-2.0	-121.98	352.23	8.94	-113.04
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372281	1	47	-2.0	-125.70	392.69	6.54	-119.16
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372282	0	45	-2.0	-124.68	380.05	7.93	-116.75
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000372283	0	36	-3.0	-172.47	338.90	6.24	-166.23
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000372283	1	37	-2.0	-100.81	341.59	6.21	-94.60
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C=C1	REAL300000372284	0	39	-2.0	-96.87	360.14	7.87	-89.00
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000372285	0	44	-2.0	-105.72	381.09	7.15	-98.57
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C2=CC=CN=C2C=C1	REAL300000372286	1	45	-2.0	-109.94	370.62	8.06	-101.88
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1O	REAL300000372287	1	44	-2.0	-104.40	382.38	5.34	-99.06
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1	REAL300000372288	0	39	-2.0	-118.33	343.73	8.09	-110.24
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300000372289	1	47	-2.0	-108.46	392.98	10.06	-98.40
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C1	REAL300000372290	0	39	-2.0	-117.55	353.88	8.05	-109.50
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372291	0	46	-2.0	-116.38	398.81	5.16	-111.22
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372294	0	41	-2.0	-117.67	349.97	5.00	-112.67
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372294	1	41	-2.0	-98.27	350.80	5.90	-92.37
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1	REAL300000372295	0	34	-2.0	-102.46	300.37	3.04	-99.42
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372296	0	46	-2.0	-130.52	381.35	8.46	-122.06
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372296	1	45	-3.0	-185.32	379.14	8.97	-176.35
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C1	REAL300000372297	0	40	-2.0	-111.88	358.31	7.54	-104.34
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300000372298	0	40	-2.0	-106.62	366.66	6.41	-100.21
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C	REAL300000372299	0	45	-2.0	-118.83	375.74	9.23	-109.60
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1	REAL300000372300	1	41	-2.0	-100.49	356.60	7.02	-93.47
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1	REAL300000372301	0	37	-2.0	-105.30	333.70	6.98	-98.32
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000372302	0	39	-3.0	-167.03	352.01	6.38	-160.65
CC1=C(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000372302	1	40	-2.0	-103.10	353.18	6.30	-96.80
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1	REAL300000372303	0	40	-2.0	-128.95	346.98	5.85	-123.10
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372304	0	43	-2.0	-120.08	380.80	7.40	-112.68
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372305	0	47	-2.0	-123.43	390.31	8.02	-115.41
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=C1	REAL300000372306	0	39	-2.0	-120.78	354.29	8.84	-111.94
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1	REAL300000372307	1	42	-2.0	-117.11	367.06	6.81	-110.30
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C=C1	REAL300000372308	0	36	-2.0	-99.11	335.12	5.44	-93.67
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1	REAL300000372309	0	39	-2.0	-123.68	344.70	8.26	-115.42
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372310	0	43	-3.0	-179.95	376.22	6.29	-173.66
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372310	1	44	-2.0	-103.63	380.65	6.32	-97.31
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1	REAL300000372311	0	44	-2.0	-106.50	379.36	7.76	-98.74
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C=C1	REAL300000372312	0	47	-2.0	-106.02	404.77	8.20	-97.82
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1	REAL300000372313	0	36	-2.0	-98.77	320.20	4.90	-93.87
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372314	0	40	-2.0	-112.89	366.84	6.29	-106.60
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372315	1	45	-2.0	-111.35	377.24	9.03	-102.32
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)C=C1	REAL300000372316	1	42	-2.0	-115.45	354.95	7.07	-108.38
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C1	REAL300000372317	0	36	-2.0	-100.41	343.93	5.77	-94.64
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372318	0	37	-2.0	-116.08	322.80	5.73	-110.35
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)C=C12	REAL300000372320	1	45	-2.0	-103.35	386.85	6.41	-96.94
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)C=C12	REAL300000372321	0	41	-2.0	-98.40	360.29	3.66	-94.74
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=C1	REAL300000372322	0	37	-2.0	-98.23	336.49	5.20	-93.03
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1	REAL300000372324	0	37	-2.0	-110.90	330.58	6.76	-104.14
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000372325	0	41	-2.0	-111.27	358.51	6.25	-105.02
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1	REAL300000372326	0	39	-2.0	-118.71	355.81	8.59	-110.12
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372327	0	43	-2.0	-100.05	369.31	7.63	-92.42
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372327	1	42	-3.0	-164.95	367.96	8.02	-156.93
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1	REAL300000372328	0	43	-2.0	-114.47	363.67	6.33	-108.14
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CN1C	REAL300000372329	0	40	-2.0	-116.34	342.32	5.53	-110.81
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1	REAL300000372330	0	41	-2.0	-110.84	358.56	6.72	-104.12
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372331	1	46	-2.0	-110.15	395.45	8.22	-101.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300000372332	0	40	-2.0	-105.44	344.87	5.20	-100.24
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372333	1	44	-2.0	-116.74	373.85	6.37	-110.37
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372334	0	43	-2.0	-122.13	372.17	8.15	-113.98
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C=C1	REAL300000372335	0	37	-2.0	-107.51	350.88	6.75	-100.76
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1	REAL300000372336	1	42	-2.0	-106.52	354.76	5.95	-100.57
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1	REAL300000372337	0	37	-2.0	-110.47	338.32	7.27	-103.20
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=C1	REAL300000372340	1	41	-2.0	-101.64	364.85	3.53	-98.11
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372341	0	37	-2.0	-102.94	319.20	3.69	-99.25
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372342	1	41	-2.0	-116.63	348.28	5.95	-110.68
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372343	1	40	-2.0	-109.02	335.60	7.46	-101.56
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300000372344	0	43	-2.0	-117.41	382.15	4.92	-112.49
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300000372344	1	42	-3.0	-175.24	378.85	3.79	-171.45
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=N1	REAL300000372345	0	37	-2.0	-113.68	325.39	4.22	-109.46
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372346	0	37	-2.0	-99.75	319.03	4.28	-95.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000372352	0	40	-2.0	-113.29	347.46	7.41	-105.88
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1F	REAL300000372353	1	40	-2.0	-101.64	345.51	7.34	-94.30
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1	REAL300000372354	0	34	-2.0	-113.56	301.84	4.07	-109.49
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)O1	REAL300000372355	0	40	-2.0	-102.70	360.08	5.47	-97.23
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1	REAL300000372356	0	42	-2.0	-124.51	358.72	7.28	-117.23
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1	REAL300000372357	0	37	-2.0	-100.03	338.73	6.86	-93.17
CC1=C(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])S1	REAL300000372358	0	40	-2.0	-129.29	360.52	7.11	-122.18
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])S1	REAL300000372358	1	39	-3.0	-180.47	355.85	7.09	-173.38
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1C	REAL300000372359	1	46	-2.0	-111.13	385.40	7.98	-103.15
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372360	0	41	-2.0	-116.61	363.14	6.56	-110.05
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CN=C1Cl	REAL300000372361	0	39	-2.0	-105.64	351.18	5.91	-99.73
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372362	0	43	-2.0	-115.46	376.95	4.22	-111.24
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372364	1	46	-2.0	-113.15	395.74	8.09	-105.06
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372366	0	49	-2.0	-106.61	397.96	7.24	-99.37
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)SC=C1	REAL300000372367	0	37	-2.0	-108.82	329.52	6.27	-102.55
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1C	REAL300000372368	0	46	-2.0	-107.08	377.29	6.55	-100.53
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C	REAL300000372369	1	46	-2.0	-109.77	391.34	7.88	-101.89
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1[N+](=O)[O-]	REAL300000372370	0	42	-2.0	-102.39	363.00	7.83	-94.56
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C1	REAL300000372373	1	45	-2.0	-118.92	378.37	5.10	-113.82
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372374	1	41	-2.0	-111.57	355.05	7.80	-103.77
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1F	REAL300000372375	1	44	-2.0	-114.48	381.45	5.69	-108.79
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000372376	0	42	-2.0	-113.94	370.22	7.94	-106.00
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372377	1	49	-2.0	-106.35	370.94	9.34	-97.01
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1C	REAL300000372378	1	47	-2.0	-125.39	393.68	6.43	-118.96
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372379	0	41	-2.0	-109.97	356.43	7.10	-102.87
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372380	1	41	-2.0	-101.05	356.78	7.85	-93.20
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372381	1	49	-2.0	-109.89	383.52	9.87	-100.02
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C=C1	REAL300000372383	0	38	-2.0	-104.08	345.09	7.09	-96.99
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)C=C2O1	REAL300000372384	1	42	-2.0	-105.87	362.43	4.30	-101.57
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300000372385	0	43	-2.0	-105.44	363.55	5.73	-99.71
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)C=C1	REAL300000372386	0	42	-2.0	-111.08	356.58	3.11	-107.97
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1	REAL300000372387	1	42	-2.0	-109.59	361.51	7.07	-102.52
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300000372388	0	43	-2.0	-110.81	378.16	5.42	-105.39
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CN1	REAL300000372389	0	43	-2.0	-115.34	364.34	5.13	-110.21
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C=C1	REAL300000372390	0	40	-2.0	-110.40	360.65	8.45	-101.95
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300000372394	1	37	-2.0	-93.22	337.79	6.82	-86.40
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372395	1	48	-2.0	-105.58	403.15	8.52	-97.06
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CN1C	REAL300000372397	0	44	-2.0	-109.88	379.95	6.74	-103.14
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372398	1	52	-2.0	-108.33	410.96	9.47	-98.86
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000372399	0	39	-3.0	-159.99	360.30	7.77	-152.22
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000372399	1	40	-2.0	-94.66	362.94	7.75	-86.91
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000372400	0	40	-2.0	-110.31	358.32	7.13	-103.18
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000372400	1	39	-3.0	-160.96	351.79	7.25	-153.71
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372401	1	47	-2.0	-114.44	397.03	7.30	-107.14
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC(C)=C1F	REAL300000372402	1	43	-2.0	-103.14	367.57	8.01	-95.13
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000372403	0	36	-3.0	-168.12	339.52	6.34	-161.78
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372404	0	46	-2.0	-115.90	383.34	7.89	-108.01
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000372405	0	40	-2.0	-100.00	361.96	7.18	-92.82
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000372405	1	39	-3.0	-165.23	353.65	7.27	-157.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1F	REAL300000372406	0	42	-3.0	-173.61	373.02	7.89	-165.72
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CN1	REAL300000372407	0	41	-2.0	-107.95	363.94	5.02	-102.93
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000372408	0	39	-3.0	-162.73	354.47	7.31	-155.42
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000372408	1	40	-2.0	-94.78	355.34	7.25	-87.53
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000372409	0	40	-2.0	-108.04	368.04	7.53	-100.51
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000372409	1	39	-3.0	-159.32	359.75	7.61	-151.71
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372410	1	40	-2.0	-105.10	341.35	7.49	-97.61
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1C	REAL300000372411	1	46	-2.0	-105.66	389.62	7.82	-97.84
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CS1	REAL300000372412	0	40	-2.0	-106.29	366.06	6.33	-99.96
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1F	REAL300000372413	1	43	-2.0	-100.88	379.87	7.36	-93.52
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300000372414	0	39	-2.0	-110.23	344.02	5.21	-105.02
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C=C1	REAL300000372415	1	41	-2.0	-113.18	361.04	7.81	-105.37
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372416	1	45	-2.0	-96.35	378.54	9.01	-87.34
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1[O-]	REAL300000372417	1	45	-2.0	-107.45	388.20	3.44	-104.01
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372420	1	43	-2.0	-115.83	361.67	8.08	-107.75
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372421	1	40	-2.0	-106.03	348.35	7.41	-98.62
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372423	0	43	-2.0	-103.56	378.43	6.13	-97.43
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=C1	REAL300000372424	1	43	-2.0	-104.93	371.91	5.74	-99.19
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000372425	0	40	-2.0	-98.89	366.54	7.20	-91.69
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000372425	1	39	-3.0	-165.17	358.08	7.30	-157.87
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C(F)C=C1F	REAL300000372427	0	40	-2.0	-104.57	350.98	7.39	-97.18
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1	REAL300000372428	1	43	-2.0	-117.47	361.59	9.00	-108.47
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1	REAL300000372429	0	39	-2.0	-105.19	350.78	6.13	-99.06
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000372430	0	40	-3.0	-185.15	358.72	4.96	-180.19
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000372430	1	40	-3.0	-191.85	357.90	5.74	-186.11
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1	REAL300000372431	1	47	-2.0	-112.03	374.10	9.27	-102.76
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000372432	0	43	-2.0	-97.72	377.69	7.90	-89.82
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000372432	1	42	-3.0	-166.33	371.17	8.03	-158.30
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)O1	REAL300000372433	0	43	-2.0	-102.86	381.95	6.40	-96.46
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1	REAL300000372434	0	39	-2.0	-96.81	353.41	7.38	-89.43
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372435	0	42	-2.0	-124.40	373.11	7.61	-116.79
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C=C1	REAL300000372436	0	40	-2.0	-118.55	363.28	7.39	-111.16
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)SC=C1	REAL300000372438	0	38	-2.0	-116.45	342.70	4.96	-111.49
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)OC2=CC=C(F)C=C12	REAL300000372439	0	43	-2.0	-106.61	374.29	7.96	-98.65
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000372440	0	40	-2.0	-110.77	350.31	7.08	-103.69
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000372441	0	45	-2.0	-132.07	380.30	7.87	-124.20
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1F	REAL300000372442	0	42	-2.0	-105.49	372.83	8.01	-97.48
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372443	0	39	-2.0	-113.71	353.78	5.43	-108.28
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372445	0	37	-2.0	-97.08	333.76	5.59	-91.49
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)N=C1Cl	REAL300000372446	0	37	-2.0	-112.05	340.72	5.51	-106.54
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC(OC)=C1	REAL300000372447	1	45	-2.0	-111.66	379.52	5.29	-106.37
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1	REAL300000372448	0	38	-2.0	-113.34	334.62	5.38	-107.96
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1C	REAL300000372449	0	45	-2.0	-120.36	371.62	9.49	-110.87
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C=C1	REAL300000372450	0	38	-2.0	-98.50	341.01	4.48	-94.02
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300000372451	0	36	-2.0	-103.76	327.31	4.48	-99.28
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372452	1	42	-2.0	-105.66	368.75	8.16	-97.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372453	0	43	-2.0	-101.72	361.62	7.87	-93.85
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372453	1	42	-3.0	-176.01	361.08	7.94	-168.07
CC1=CC(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC(C(=O)[O-])=C1F	REAL300000372455	0	43	-2.0	-104.16	380.54	7.76	-96.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC(C(=O)[O-])=C1F	REAL300000372455	1	42	-3.0	-177.07	373.84	7.89	-169.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372456	0	43	-2.0	-99.39	365.39	7.95	-91.44
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372457	0	43	-2.0	-113.57	377.83	7.77	-105.80
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C=C1	REAL300000372458	0	38	-2.0	-104.85	348.08	7.32	-97.53
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1F	REAL300000372459	0	40	-2.0	-113.22	350.98	7.41	-105.81
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1[N+](=O)[O-]	REAL300000372460	0	43	-2.0	-102.30	374.30	7.39	-94.91
CC1=CC(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC(C(=O)[O-])=C1C	REAL300000372461	0	46	-2.0	-100.59	388.58	8.18	-92.41
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=C1	REAL300000372462	0	40	-2.0	-104.69	364.12	8.13	-96.56
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000372465	0	39	-3.0	-163.54	359.00	7.33	-156.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC([N+](=O)[O-])=C1F	REAL300000372466	1	42	-2.0	-99.50	373.58	8.00	-91.50
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C1	REAL300000372467	0	36	-2.0	-105.17	337.75	6.09	-99.08
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372468	0	43	-2.0	-115.31	364.23	7.03	-108.28
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300000372469	0	42	-2.0	-99.44	369.53	5.47	-93.97
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=C1	REAL300000372470	0	36	-2.0	-97.24	344.22	5.82	-91.42
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C)=C1C(=O)[O-]	REAL300000372471	0	46	-2.0	-104.07	383.04	8.59	-95.48
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000372472	0	42	-3.0	-183.50	370.48	7.84	-175.66
CC1=CC(F)=C(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000372472	1	43	-2.0	-121.48	373.05	7.82	-113.66
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372473	0	42	-3.0	-185.70	374.02	7.93	-177.77
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372474	1	45	-2.0	-125.41	381.86	7.92	-117.49
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300000372475	0	44	-2.0	-103.57	380.29	4.29	-99.28
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C([N+](=O)[O-])=N1	REAL300000372476	0	42	-2.0	-114.15	369.11	7.47	-106.68
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000372477	0	46	-2.0	-99.66	387.88	8.26	-91.40
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=C1	REAL300000372478	0	48	-2.0	-105.25	395.95	5.17	-100.08
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1C#N	REAL300000372481	0	41	-2.0	-118.46	357.79	7.47	-110.99
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372482	0	43	-2.0	-114.28	372.23	7.14	-107.14
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300000372483	0	46	-2.0	-113.53	391.78	8.28	-105.25
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372484	0	43	-2.0	-116.01	367.86	7.43	-108.58
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1	REAL300000372485	0	45	-2.0	-103.95	378.60	4.43	-99.52
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1F	REAL300000372487	0	40	-2.0	-113.91	344.60	7.35	-106.56
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300000372488	1	43	-2.0	-102.00	369.57	4.30	-97.70
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1	REAL300000372489	0	44	-2.0	-118.21	364.58	6.67	-111.54
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372490	1	44	-2.0	-107.81	373.85	6.38	-101.43
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372491	0	42	-2.0	-118.67	358.06	3.62	-115.05
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1Cl	REAL300000372492	0	40	-2.0	-110.36	350.65	7.79	-102.57
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C(C)O1	REAL300000372494	0	40	-2.0	-105.55	341.74	6.22	-99.33
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C=C1	REAL300000372495	0	43	-2.0	-117.52	365.05	4.31	-113.21
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372497	1	44	-2.0	-106.84	365.39	6.67	-100.17
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C(C(=O)OC)O1	REAL300000372498	0	46	-2.0	-101.78	397.54	7.09	-94.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)O1	REAL300000372500	0	37	-2.0	-107.37	323.39	5.46	-101.91
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372501	0	40	-2.0	-108.36	351.75	7.03	-101.33
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1	REAL300000372502	1	40	-2.0	-104.97	346.59	5.33	-99.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C2=NC=CC=C2C=C1	REAL300000372503	0	45	-2.0	-124.03	372.43	8.46	-115.57
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1	REAL300000372504	0	43	-2.0	-118.22	369.81	8.69	-109.53
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372505	0	43	-2.0	-112.93	372.17	8.13	-104.80
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1	REAL300000372506	0	39	-2.0	-95.16	351.54	7.33	-87.83
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1	REAL300000372507	1	37	-2.0	-99.33	341.92	7.24	-92.09
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C(C)O1	REAL300000372508	0	43	-2.0	-101.36	376.62	6.20	-95.16
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1	REAL300000372509	0	36	-2.0	-99.12	330.55	5.33	-93.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)N=C1C	REAL300000372510	0	43	-2.0	-116.26	364.33	6.43	-109.83
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372511	0	40	-2.0	-115.97	355.08	7.92	-108.05
CCN1C=C(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000372512	0	44	-2.0	-98.31	381.68	7.29	-91.02
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000372512	1	43	-3.0	-174.90	377.03	7.45	-167.45
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372513	0	40	-2.0	-106.22	360.42	5.42	-100.80
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372514	0	49	-2.0	-107.43	394.93	7.21	-100.22
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CN1C	REAL300000372515	0	47	-2.0	-109.37	401.82	7.67	-101.70
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372516	1	45	-2.0	-103.23	380.67	8.72	-94.51
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1	REAL300000372517	0	37	-2.0	-113.15	336.61	7.48	-105.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(Cl)=N1	REAL300000372518	0	39	-2.0	-108.05	350.43	5.99	-102.06
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372519	0	42	-2.0	-107.18	369.58	6.87	-100.31
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1Cl	REAL300000372520	1	41	-2.0	-103.82	373.99	8.11	-95.71
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300000372521	0	39	-2.0	-104.08	350.55	5.26	-98.82
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)C=C12	REAL300000372522	0	44	-2.0	-97.83	381.78	4.40	-93.43
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300000372523	0	39	-2.0	-101.51	356.92	6.97	-94.54
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CN=C1Cl	REAL300000372525	0	40	-2.0	-102.94	359.63	4.60	-98.34
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=C1	REAL300000372526	0	39	-2.0	-98.18	355.27	5.92	-92.26
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372527	1	43	-2.0	-104.18	379.98	7.37	-96.81
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372528	0	52	-2.0	-106.44	411.72	7.66	-98.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C)=C1F	REAL300000372529	1	44	-2.0	-104.09	368.87	6.75	-97.34
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C=C1	REAL300000372530	0	38	-2.0	-101.82	354.43	7.64	-94.18
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1	REAL300000372531	0	40	-2.0	-116.96	346.72	6.96	-110.00
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372532	0	42	-2.0	-103.62	368.75	5.49	-98.13
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=C1	REAL300000372533	0	34	-2.0	-101.85	323.17	5.37	-96.48
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000372534	1	45	-2.0	-105.84	379.83	8.65	-97.19
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372535	0	47	-2.0	-115.95	384.10	8.44	-107.51
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C=C1	REAL300000372536	0	37	-2.0	-110.38	339.86	7.04	-103.34
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372540	0	37	-2.0	-101.38	347.76	6.86	-94.52
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1	REAL300000372541	1	40	-2.0	-113.84	350.97	7.52	-106.32
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1	REAL300000372542	0	40	-2.0	-103.52	356.71	5.53	-97.99
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372543	1	41	-2.0	-115.29	356.62	7.75	-107.54
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C=C1	REAL300000372544	0	45	-2.0	-102.69	389.98	7.96	-94.73
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372545	1	46	-2.0	-111.23	374.54	8.67	-102.56
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C)=CS1	REAL300000372546	0	43	-2.0	-116.71	374.01	7.81	-108.90
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1F	REAL300000372547	1	41	-2.0	-106.44	354.50	6.02	-100.42
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1	REAL300000372548	0	36	-2.0	-115.01	331.48	7.04	-107.97
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1	REAL300000372549	0	34	-2.0	-106.84	303.22	4.67	-102.17
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372550	0	36	-2.0	-95.06	313.25	3.05	-92.01
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)=CN=C21	REAL300000372551	1	42	-2.0	-102.92	364.89	5.81	-97.11
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1	REAL300000372552	0	36	-2.0	-100.18	341.71	6.45	-93.73
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372554	1	45	-2.0	-108.54	385.96	4.87	-103.67
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1	REAL300000372555	0	41	-2.0	-109.06	346.77	6.08	-102.98
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C=C1	REAL300000372556	0	38	-2.0	-111.06	354.45	7.65	-103.41
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C1	REAL300000372557	0	40	-2.0	-105.83	364.49	5.75	-100.08
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372558	1	43	-2.0	-106.66	349.04	8.36	-98.30
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372559	0	45	-2.0	-122.28	374.51	7.19	-115.09
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372561	0	40	-2.0	-112.07	338.38	7.61	-104.46
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C=C1	REAL300000372562	0	41	-2.0	-121.88	357.18	6.72	-115.16
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372563	0	50	-2.0	-107.55	411.65	8.17	-99.38
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)C=CC=C12	REAL300000372564	0	45	-2.0	-125.22	378.43	7.86	-117.36
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C=C1	REAL300000372566	1	41	-2.0	-110.60	370.04	3.93	-106.67
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1	REAL300000372567	0	38	-2.0	-115.85	345.31	4.98	-110.87
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372568	0	40	-2.0	-104.54	343.37	4.10	-100.44
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1)OCO2	REAL300000372570	1	43	-2.0	-104.72	362.04	6.12	-98.60
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372572	0	43	-2.0	-108.46	370.72	7.88	-100.58
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372573	1	47	-2.0	-106.94	389.80	6.48	-100.46
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372574	0	46	-2.0	-122.90	387.64	8.99	-113.91
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300000372576	0	40	-2.0	-111.30	365.48	4.18	-107.12
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300000372576	1	39	-3.0	-168.54	360.43	3.01	-165.53
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1F	REAL300000372577	1	44	-2.0	-108.88	381.72	5.70	-103.18
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C=C1	REAL300000372578	0	42	-2.0	-110.90	377.31	2.29	-108.61
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C=C1	REAL300000372579	1	41	-2.0	-112.69	353.41	7.93	-104.76
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C=C1	REAL300000372580	1	41	-2.0	-120.01	361.02	7.81	-112.20
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C1	REAL300000372581	0	37	-2.0	-102.85	350.40	7.75	-95.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(N)=NO1	REAL300000372583	0	38	-2.0	-98.80	328.07	4.06	-94.74
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372584	0	41	-2.0	-110.87	363.78	6.95	-103.92
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1	REAL300000372585	0	38	-2.0	-104.32	348.04	5.45	-98.87
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372588	1	44	-2.0	-117.20	363.75	6.71	-110.49
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C=C1	REAL300000372591	0	35	-2.0	-98.97	331.29	6.19	-92.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300000372592	0	39	-2.0	-105.46	335.40	5.45	-100.01
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1	REAL300000372593	0	42	-2.0	-108.05	359.99	7.00	-101.05
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000372594	0	43	-2.0	-107.54	380.79	7.41	-100.13
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1F	REAL300000372595	0	43	-2.0	-101.93	379.85	7.37	-94.56
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1C#N	REAL300000372596	1	41	-2.0	-106.10	358.75	7.54	-98.56
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1	REAL300000372597	0	36	-2.0	-98.77	336.52	5.33	-93.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000372599	0	41	-2.0	-110.74	355.53	6.03	-104.71
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1[N+](=O)[O-]	REAL300000372600	0	45	-2.0	-121.46	381.32	9.87	-111.59
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1	REAL300000372602	1	40	-2.0	-106.50	354.71	7.62	-98.88
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=C1	REAL300000372603	1	47	-2.0	-112.83	394.76	10.09	-102.74
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)N(C)N=C1	REAL300000372605	0	40	-2.0	-100.15	334.65	5.16	-94.99
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C=C1	REAL300000372607	0	35	-2.0	-99.97	322.71	5.19	-94.78
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1	REAL300000372608	0	34	-2.0	-104.07	309.89	5.55	-98.52
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1	REAL300000372609	0	34	-2.0	-105.04	303.07	4.56	-100.48
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372610	0	48	-2.0	-117.58	403.87	6.19	-111.39
CC1=CC(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000372611	0	43	-2.0	-111.94	371.67	7.65	-104.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300000372612	1	40	-2.0	-102.05	347.71	3.36	-98.69
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1	REAL300000372613	0	37	-2.0	-113.76	342.77	7.28	-106.48
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372615	1	48	-2.0	-108.14	399.12	7.82	-100.32
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372616	0	46	-2.0	-116.35	398.07	9.47	-106.88
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372617	0	46	-2.0	-116.13	393.89	9.18	-106.95
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1	REAL300000372618	0	40	-2.0	-109.74	355.36	8.00	-101.74
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)N(C)N=C1	REAL300000372619	0	46	-2.0	-108.38	389.88	6.65	-101.73
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3OC(C)(C)CC3=CC=C2)C=C1	REAL300000372620	0	48	-2.0	-121.28	398.41	7.90	-113.38
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1	REAL300000372621	0	40	-2.0	-113.48	347.14	5.31	-108.17
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372622	1	44	-2.0	-117.34	371.88	6.92	-110.42
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1	REAL300000372623	0	37	-2.0	-109.03	341.13	7.50	-101.53
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)C=C2C=C1	REAL300000372625	1	46	-2.0	-110.60	386.07	9.57	-101.03
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1	REAL300000372626	0	34	-2.0	-106.58	326.76	6.09	-100.49
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372627	0	37	-2.0	-107.13	334.11	6.34	-100.79
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1	REAL300000372628	0	34	-2.0	-104.17	318.80	3.48	-100.69
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1	REAL300000372629	0	36	-2.0	-103.45	327.46	4.79	-98.66
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372630	0	46	-2.0	-102.63	383.24	5.69	-96.94
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300000372631	0	46	-2.0	-101.51	387.96	5.19	-96.32
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1	REAL300000372633	0	40	-2.0	-104.76	356.72	7.15	-97.61
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372634	0	42	-2.0	-118.23	361.63	6.29	-111.94
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372635	0	36	-2.0	-106.00	329.03	4.99	-101.01
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1	REAL300000372638	1	44	-2.0	-108.47	369.76	8.79	-99.68
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1	REAL300000372639	0	34	-2.0	-109.61	318.82	5.72	-103.89
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300000372640	0	40	-2.0	-107.64	358.77	5.49	-102.15
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1	REAL300000372641	1	46	-2.0	-114.27	385.36	8.29	-105.98
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C=C1	REAL300000372642	1	38	-2.0	-97.93	347.24	7.12	-90.81
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000372645	0	42	-2.0	-104.18	371.14	8.01	-96.17
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372646	0	43	-2.0	-133.76	371.71	8.01	-125.75
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=C1	REAL300000372647	0	38	-2.0	-106.48	351.67	5.92	-100.56
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C1	REAL300000372650	0	37	-2.0	-99.85	353.11	6.87	-92.98
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1	REAL300000372651	0	34	-2.0	-107.26	300.41	3.22	-104.04
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1	REAL300000372652	0	42	-2.0	-113.35	357.53	3.59	-109.76
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300000372653	0	40	-2.0	-110.40	351.98	7.21	-103.19
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CN=C1C	REAL300000372654	0	45	-2.0	-105.78	386.77	6.02	-99.76
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1	REAL300000372655	0	38	-2.0	-96.43	342.18	5.48	-90.95
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372656	0	39	-2.0	-98.46	346.34	6.03	-92.43
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372657	1	46	-2.0	-121.74	397.49	8.13	-113.61
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=C1	REAL300000372658	1	39	-2.0	-98.20	358.56	6.52	-91.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=NN1C	REAL300000372662	0	40	-2.0	-105.97	343.45	4.89	-101.08
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372663	1	41	-2.0	-108.35	349.87	7.73	-100.62
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372664	0	40	-2.0	-106.78	345.74	4.96	-101.82
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372665	1	44	-2.0	-106.18	392.34	6.91	-99.27
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=C1	REAL300000372666	0	37	-2.0	-98.29	334.69	5.23	-93.06
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C=C1	REAL300000372668	1	42	-2.0	-104.84	365.22	3.84	-101.00
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1	REAL300000372670	0	37	-2.0	-104.57	334.45	4.17	-100.40
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C1	REAL300000372671	0	43	-2.0	-101.58	365.08	6.57	-95.01
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C=C1	REAL300000372673	1	44	-2.0	-112.69	374.78	6.40	-106.29
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C=C1	REAL300000372674	0	40	-2.0	-103.75	356.02	4.21	-99.54
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1Cl	REAL300000372675	1	41	-2.0	-107.18	364.31	6.51	-100.67
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C=C1	REAL300000372676	0	41	-2.0	-123.48	372.13	3.32	-120.16
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000372677	0	39	-3.0	-184.84	352.66	7.27	-177.57
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C1	REAL300000372678	0	34	-2.0	-110.54	318.12	4.65	-105.89
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1	REAL300000372679	0	39	-2.0	-118.88	349.98	6.06	-112.82
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1	REAL300000372680	1	42	-2.0	-110.77	356.34	6.52	-104.25
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C1	REAL300000372682	0	43	-2.0	-117.01	371.05	9.00	-108.01
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C=C1	REAL300000372683	0	40	-2.0	-112.08	358.95	5.72	-106.36
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372684	0	40	-2.0	-108.77	345.91	8.15	-100.62
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1	REAL300000372685	0	42	-2.0	-118.02	355.10	6.46	-111.56
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000372691	0	40	-2.0	-114.54	348.70	7.59	-106.95
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C1	REAL300000372692	0	36	-2.0	-100.80	345.59	5.87	-94.93
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)=CC=C21	REAL300000372693	1	42	-2.0	-106.98	364.39	5.13	-101.85
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000372695	0	43	-2.0	-96.28	376.73	7.89	-88.39
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000372695	1	42	-3.0	-170.90	373.96	7.91	-162.99
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372697	0	41	-2.0	-110.83	353.45	6.49	-104.34
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C=C1	REAL300000372698	1	40	-2.0	-98.13	360.15	5.77	-92.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000372699	1	45	-2.0	-112.85	381.18	8.49	-104.36
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1Cl	REAL300000372701	0	40	-2.0	-98.04	362.04	3.87	-94.17
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372702	0	36	-2.0	-98.13	315.74	4.59	-93.54
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1Cl	REAL300000372703	1	40	-2.0	-102.61	354.25	7.74	-94.87
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1	REAL300000372704	1	43	-2.0	-118.37	368.66	7.66	-110.71
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C([N+](=O)[O-])S1	REAL300000372705	0	39	-2.0	-115.78	355.12	7.88	-107.90
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=C1	REAL300000372707	1	40	-2.0	-102.73	360.81	4.83	-97.90
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1	REAL300000372708	0	36	-2.0	-110.46	319.29	4.81	-105.65
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1	REAL300000372711	0	36	-2.0	-98.15	320.20	4.79	-93.36
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C=C1	REAL300000372713	0	35	-2.0	-111.67	329.17	6.04	-105.63
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1	REAL300000372716	1	37	-2.0	-99.22	343.13	7.25	-91.97
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C1	REAL300000372717	0	46	-2.0	-114.82	380.47	7.00	-107.82
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1	REAL300000372718	0	45	-2.0	-124.73	372.72	7.89	-116.84
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372719	0	47	-2.0	-108.26	393.30	5.66	-102.60
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372725	1	44	-2.0	-119.87	376.46	4.12	-115.75
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)N(C)N=C1	REAL300000372728	0	43	-2.0	-107.94	368.02	5.72	-102.22
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)N1C	REAL300000372731	0	40	-2.0	-107.20	340.38	5.56	-101.64
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372732	1	50	-2.0	-117.97	410.56	8.34	-109.63
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1F	REAL300000372735	0	42	-2.0	-112.34	365.79	8.78	-103.56
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CN1CC1CC1	REAL300000372736	0	50	-2.0	-116.61	412.90	8.43	-108.18
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)O1	REAL300000372737	0	43	-2.0	-103.41	377.98	6.04	-97.37
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1	REAL300000372738	0	40	-2.0	-110.71	360.29	6.19	-104.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C)=C1[N+](=O)[O-]	REAL300000372739	1	45	-2.0	-104.41	384.62	8.99	-95.42
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372740	0	40	-2.0	-95.15	362.15	5.30	-89.85
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1	REAL300000372741	0	36	-2.0	-104.05	337.91	5.28	-98.77
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=C1	REAL300000372742	1	47	-2.0	-120.16	386.64	10.08	-110.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(F)=C1F	REAL300000372744	0	40	-2.0	-114.78	350.87	7.41	-107.37
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)OC=C1	REAL300000372745	0	40	-2.0	-116.20	355.05	5.67	-110.53
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=N1	REAL300000372747	0	39	-2.0	-119.88	345.86	5.63	-114.25
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C)=N1	REAL300000372748	0	49	-2.0	-105.66	408.54	7.33	-98.33
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000372749	0	38	-3.0	-175.10	343.46	5.32	-169.78
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372750	0	41	-2.0	-107.39	351.58	6.79	-100.60
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1F	REAL300000372751	1	49	-2.0	-106.03	398.76	8.93	-97.10
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C=C1	REAL300000372752	1	38	-2.0	-99.57	347.82	7.14	-92.43
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1C(F)(F)F	REAL300000372753	0	40	-2.0	-102.98	353.70	5.32	-97.66
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1	REAL300000372754	0	39	-2.0	-119.47	341.95	5.83	-113.64
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1	REAL300000372754	1	39	-2.0	-107.20	343.81	5.73	-101.47
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1	REAL300000372755	0	41	-2.0	-116.29	354.28	6.65	-109.64
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372756	0	47	-2.0	-104.33	379.77	6.77	-97.56
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C(C)(C)C)=N1	REAL300000372757	0	49	-2.0	-105.30	388.84	7.27	-98.03
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1	REAL300000372759	0	47	-2.0	-104.67	386.20	7.00	-97.67
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372760	0	40	-2.0	-98.78	352.09	5.59	-93.19
CC(C)(C(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1	REAL300000372762	0	38	-2.0	-95.79	334.16	5.17	-90.62
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1	REAL300000372762	1	38	-2.0	-113.74	336.73	4.45	-109.29
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372764	0	40	-2.0	-121.37	351.53	4.34	-117.03
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372765	0	43	-2.0	-105.76	361.60	5.80	-99.96
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1F	REAL300000372766	1	42	-2.0	-106.07	363.79	7.12	-98.95
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C=C1	REAL300000372767	0	37	-2.0	-100.84	325.74	4.02	-96.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C#N)=C1	REAL300000372768	0	41	-2.0	-116.31	360.04	7.64	-108.67
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372769	0	41	-2.0	-114.16	350.49	7.88	-106.28
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=C1	REAL300000372770	1	40	-2.0	-107.05	355.46	7.55	-99.50
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C=C1	REAL300000372772	1	44	-2.0	-111.91	384.28	8.64	-103.27
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372774	0	37	-2.0	-98.26	339.79	2.48	-95.78
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1	REAL300000372776	0	33	-2.0	-100.43	305.52	4.35	-96.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372779	0	43	-3.0	-167.25	377.20	7.04	-160.21
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372779	1	44	-2.0	-98.64	379.91	6.99	-91.65
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C(C(N)=O)O1	REAL300000372780	0	41	-2.0	-105.71	360.05	2.29	-103.42
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372781	1	46	-2.0	-107.88	372.19	9.19	-98.69
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1	REAL300000372782	0	37	-2.0	-114.06	335.26	6.80	-107.26
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000372784	0	36	-3.0	-161.52	349.15	6.22	-155.30
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1	REAL300000372785	1	42	-2.0	-118.01	356.78	7.18	-110.83
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372786	0	44	-2.0	-110.91	380.18	6.85	-104.06
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C=C1	REAL300000372787	0	38	-2.0	-111.61	346.36	7.11	-104.50
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)N=N1	REAL300000372788	0	36	-2.0	-108.14	317.58	2.97	-105.17
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1	REAL300000372789	0	44	-2.0	-106.28	370.43	6.37	-99.91
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1	REAL300000372790	0	44	-2.0	-104.09	369.01	6.50	-97.59
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1	REAL300000372791	0	47	-2.0	-103.88	390.10	7.20	-96.68
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C=C1	REAL300000372792	0	48	-2.0	-112.83	393.84	4.65	-108.18
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C1	REAL300000372793	1	43	-2.0	-105.90	371.26	3.92	-101.98
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C1	REAL300000372794	0	34	-2.0	-105.56	321.21	5.40	-100.16
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1F	REAL300000372795	1	41	-2.0	-97.40	364.66	6.19	-91.21
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1	REAL300000372796	0	44	-2.0	-107.51	363.45	6.74	-100.77
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1F	REAL300000372797	0	41	-2.0	-105.21	359.99	6.07	-99.14
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372798	0	47	-2.0	-120.26	394.98	8.08	-112.18
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372799	0	40	-2.0	-103.77	342.20	7.34	-96.43
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)=C2O1	REAL300000372800	0	45	-2.0	-119.79	377.71	7.25	-112.54
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300000372801	0	45	-2.0	-104.43	387.46	6.31	-98.12
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C=C1	REAL300000372802	1	45	-2.0	-109.09	387.01	8.85	-100.24
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372803	0	41	-2.0	-109.77	358.77	7.27	-102.50
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1	REAL300000372804	0	34	-2.0	-105.27	324.21	6.06	-99.21
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C1	REAL300000372805	0	39	-2.0	-97.97	352.93	5.82	-92.15
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372806	0	42	-2.0	-122.00	360.53	6.23	-115.77
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372807	0	39	-2.0	-96.69	333.51	3.91	-92.78
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1	REAL300000372809	1	38	-2.0	-96.60	333.67	5.43	-91.17
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1	REAL300000372810	0	40	-2.0	-110.50	359.39	8.11	-102.39
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C1	REAL300000372811	0	40	-2.0	-121.87	363.70	6.34	-115.53
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372812	0	44	-2.0	-106.83	371.46	6.44	-100.39
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1OC	REAL300000372814	0	45	-2.0	-113.01	376.32	6.61	-106.40
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1	REAL300000372815	0	40	-2.0	-115.32	348.56	6.92	-108.40
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1OC	REAL300000372816	0	45	-2.0	-116.35	379.97	7.00	-109.35
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C2CCCC2)=N1	REAL300000372817	0	50	-2.0	-110.31	409.37	7.57	-102.74
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C2CC2)=N1	REAL300000372818	0	44	-2.0	-108.54	374.05	6.57	-101.97
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1	REAL300000372820	0	40	-2.0	-114.72	348.22	5.86	-108.86
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)C=CC=C21	REAL300000372821	0	42	-2.0	-126.16	363.33	5.04	-121.12
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)=C21	REAL300000372822	0	44	-2.0	-108.82	361.48	8.60	-100.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CN=C1N	REAL300000372823	1	41	-2.0	-107.66	348.57	4.39	-103.27
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372824	0	37	-2.0	-105.21	336.08	2.51	-102.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)N=CN1	REAL300000372825	0	37	-2.0	-116.16	319.65	4.79	-111.37
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1	REAL300000372827	1	40	-2.0	-106.44	354.26	7.07	-99.37
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C2CCC2)=N1	REAL300000372828	0	47	-2.0	-108.95	390.30	7.04	-101.91
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1	REAL300000372829	0	34	-2.0	-104.70	324.59	6.18	-98.52
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1	REAL300000372830	0	47	-2.0	-105.78	394.53	7.33	-98.45
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1	REAL300000372831	0	41	-2.0	-111.99	357.29	7.87	-104.12
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372832	1	46	-2.0	-115.99	383.17	8.86	-107.13
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372833	0	43	-2.0	-99.81	375.06	4.98	-94.83
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C=C1	REAL300000372834	0	38	-2.0	-115.65	345.06	7.05	-108.60
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372835	0	44	-2.0	-105.61	366.25	6.21	-99.40
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372838	0	46	-2.0	-103.62	368.24	6.34	-97.28
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300000372839	0	46	-2.0	-106.24	385.04	6.39	-99.85
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1	REAL300000372840	0	44	-2.0	-105.84	367.36	5.72	-100.12
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300000372841	0	48	-2.0	-105.25	393.07	7.43	-97.82
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1	REAL300000372842	1	40	-2.0	-107.41	346.77	7.47	-99.94
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C1	REAL300000372843	0	37	-2.0	-106.27	342.10	7.07	-99.20
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C1	REAL300000372844	0	37	-2.0	-99.79	350.51	6.75	-93.04
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372845	0	40	-2.0	-101.28	342.72	4.90	-96.38
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1C	REAL300000372847	1	43	-2.0	-108.76	351.99	7.98	-100.78
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1	REAL300000372848	0	40	-2.0	-117.07	339.77	7.94	-109.13
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372849	1	48	-2.0	-124.78	403.36	8.68	-116.10
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372851	1	46	-2.0	-108.11	397.22	8.29	-99.82
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C=C1	REAL300000372852	0	38	-2.0	-108.37	353.11	7.53	-100.84
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1	REAL300000372853	0	37	-2.0	-108.41	340.56	6.92	-101.49
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1	REAL300000372854	1	44	-2.0	-116.48	369.75	8.80	-107.68
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=CS1	REAL300000372855	0	38	-2.0	-112.12	342.80	5.12	-107.00
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372856	0	43	-2.0	-102.65	384.96	6.99	-95.66
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1	REAL300000372857	0	44	-2.0	-112.03	375.26	8.85	-103.18
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1	REAL300000372858	0	47	-2.0	-104.49	386.50	7.21	-97.28
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372859	0	46	-2.0	-103.28	379.93	6.47	-96.81
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300000372860	1	46	-2.0	-113.21	389.99	4.16	-109.05
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)C2=N1	REAL300000372862	0	42	-2.0	-117.71	362.39	5.00	-112.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)O1	REAL300000372863	0	40	-2.0	-107.33	344.87	6.24	-101.09
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1	REAL300000372864	0	37	-2.0	-100.58	342.64	5.87	-94.71
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372865	0	41	-2.0	-110.12	359.71	6.56	-103.56
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(C)(F)F)=CC=C2)C=C1	REAL300000372866	1	43	-2.0	-107.38	372.01	8.16	-99.22
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1	REAL300000372867	1	41	-2.0	-113.36	358.03	6.23	-107.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300000372868	0	38	-2.0	-110.20	342.58	5.10	-105.10
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000372869	0	48	-2.0	-131.28	390.25	8.98	-122.30
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1	REAL300000372871	0	40	-2.0	-102.23	351.46	5.34	-96.89
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372872	1	47	-2.0	-116.94	395.71	7.34	-109.60
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372873	0	47	-2.0	-103.78	400.21	7.87	-95.91
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1	REAL300000372874	0	50	-2.0	-105.09	405.18	7.59	-97.50
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1	REAL300000372875	1	40	-2.0	-111.22	342.18	7.59	-103.63
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1	REAL300000372876	0	40	-2.0	-112.91	347.52	7.02	-105.89
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1	REAL300000372877	1	39	-2.0	-109.35	351.48	6.08	-103.27
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=N1	REAL300000372878	0	39	-2.0	-110.02	339.50	3.51	-106.51
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1Cl	REAL300000372879	0	40	-2.0	-102.62	360.48	5.56	-97.06
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1	REAL300000372880	0	34	-2.0	-101.49	318.53	5.26	-96.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000372881	1	46	-2.0	-118.11	379.30	9.53	-108.58
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C1	REAL300000372883	0	37	-2.0	-102.90	346.35	7.25	-95.65
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C2=CC=CC=C2)=N1	REAL300000372884	0	47	-2.0	-110.33	396.23	8.05	-102.28
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1	REAL300000372886	0	41	-2.0	-107.84	362.61	7.96	-99.88
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C=C1	REAL300000372887	0	40	-2.0	-103.82	364.23	7.46	-96.36
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372889	0	37	-2.0	-107.27	325.13	5.34	-101.93
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=NN1	REAL300000372890	0	43	-2.0	-105.07	378.99	4.45	-100.62
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1OC	REAL300000372891	0	42	-2.0	-108.70	371.79	4.65	-104.05
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1	REAL300000372892	0	36	-2.0	-98.43	336.41	5.28	-93.15
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372893	0	43	-2.0	-106.30	364.95	6.62	-99.68
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(C)(C)C(=O)[O-])C=C3)=CC=C21	REAL300000372894	1	44	-2.0	-115.35	374.26	8.44	-106.91
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=C1	REAL300000372895	0	34	-2.0	-97.25	345.62	6.77	-90.48
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1Cl	REAL300000372896	0	37	-2.0	-102.21	338.67	4.68	-97.53
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C=C1	REAL300000372897	1	42	-2.0	-105.49	371.46	7.32	-98.17
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C=C1	REAL300000372898	0	43	-2.0	-119.91	356.61	8.47	-111.44
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C=C1	REAL300000372899	0	35	-2.0	-107.69	322.39	5.15	-102.54
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372900	0	39	-2.0	-98.74	348.29	6.07	-92.67
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372901	1	48	-2.0	-117.60	402.45	8.27	-109.33
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C2CC2)=N1	REAL300000372902	0	47	-2.0	-109.39	397.39	7.46	-101.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C2=NSN=C2C=C1	REAL300000372903	0	41	-2.0	-116.48	358.57	6.03	-110.45
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372906	0	50	-2.0	-103.79	405.55	7.84	-95.95
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1	REAL300000372907	0	34	-2.0	-104.58	319.28	5.18	-99.40
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1	REAL300000372908	0	34	-2.0	-101.27	327.60	6.16	-95.11
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372909	0	45	-2.0	-102.42	371.08	4.40	-98.02
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1	REAL300000372910	1	44	-2.0	-112.39	364.09	8.84	-103.55
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C)=N1	REAL300000372914	1	43	-2.0	-101.96	362.97	4.13	-97.83
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372915	0	43	-2.0	-112.05	366.18	4.47	-107.58
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372916	0	40	-2.0	-105.66	361.49	4.32	-101.34
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C	REAL300000372917	1	43	-2.0	-107.83	366.10	4.06	-103.77
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300000372918	0	46	-2.0	-105.06	381.75	6.79	-98.27
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372919	0	46	-2.0	-106.39	384.21	6.31	-100.08
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C1	REAL300000372920	0	36	-2.0	-103.28	346.12	4.62	-98.66
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C=C1	REAL300000372921	0	35	-2.0	-107.98	321.74	5.06	-102.92
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C=C1	REAL300000372922	0	35	-2.0	-108.94	330.84	5.97	-102.97
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372923	0	43	-2.0	-102.62	361.70	5.83	-96.79
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C	REAL300000372924	0	45	-2.0	-105.17	385.56	6.01	-99.16
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C=C1	REAL300000372925	0	40	-2.0	-120.04	358.08	8.41	-111.63
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1	REAL300000372926	0	44	-2.0	-100.80	371.00	6.75	-94.05
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1	REAL300000372927	0	44	-2.0	-110.93	376.78	7.70	-103.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=NN1C(C)C	REAL300000372929	0	46	-2.0	-106.02	383.29	6.39	-99.63
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=C1	REAL300000372930	1	44	-2.0	-114.25	380.42	8.88	-105.37
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1	REAL300000372931	0	39	-2.0	-102.85	346.13	5.66	-97.19
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C=C1	REAL300000372933	1	44	-2.0	-109.22	382.07	8.91	-100.31
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C=C1	REAL300000372934	0	41	-2.0	-110.09	369.24	7.11	-102.98
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1	REAL300000372935	1	38	-2.0	-115.09	331.55	3.84	-111.25
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372936	1	46	-2.0	-111.80	385.44	8.35	-103.45
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C1	REAL300000372937	0	40	-2.0	-123.48	358.46	7.63	-115.85
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1	REAL300000372938	0	33	-2.0	-98.46	304.45	4.24	-94.22
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1	REAL300000372939	0	41	-2.0	-118.66	366.66	5.90	-112.76
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=C1	REAL300000372940	1	44	-2.0	-113.87	374.26	8.93	-104.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C(F)F)=C1	REAL300000372941	1	44	-2.0	-107.99	369.77	7.13	-100.86
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372942	0	42	-2.0	-115.17	359.57	6.23	-108.94
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300000372943	0	43	-2.0	-124.86	369.87	8.23	-116.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000372944	0	45	-2.0	-124.86	376.53	7.81	-117.05
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000372945	0	42	-3.0	-176.07	371.13	7.24	-168.83
CCC1=C(S(=O)(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000372945	1	43	-2.0	-102.83	372.05	6.63	-96.20
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372946	0	50	-2.0	-124.21	408.23	8.65	-115.56
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C(Cl)S1	REAL300000372947	0	37	-2.0	-107.49	344.06	7.02	-100.47
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1	REAL300000372948	0	33	-2.0	-103.12	307.13	3.79	-99.33
CC(C)(C(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1	REAL300000372949	0	44	-2.0	-107.71	366.27	5.99	-101.72
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300000372950	0	40	-2.0	-113.14	345.70	7.37	-105.77
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000372951	1	39	-2.0	-87.34	353.09	1.50	-85.84
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C	REAL300000372953	0	40	-2.0	-104.59	356.26	4.01	-100.58
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000372954	1	32	-2.0	-100.79	313.05	3.63	-97.16
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C	REAL300000372957	0	36	-2.0	-111.32	324.78	2.71	-108.61
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000372961	0	32	-2.0	-101.43	309.71	3.49	-97.94
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000372963	0	32	-2.0	-97.17	322.20	3.87	-93.30
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000372965	0	32	-2.0	-103.11	302.11	2.98	-100.13
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000372967	0	29	-2.0	-100.15	289.82	1.93	-98.22
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000372971	0	29	-2.0	-97.30	306.82	2.70	-94.60
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000372972	1	33	-2.0	-104.37	303.28	2.27	-102.10
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C=C2C)=C1	REAL300000372974	0	32	-2.0	-96.44	305.77	2.60	-93.84
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000372976	1	29	-2.0	-101.43	288.28	1.95	-99.48
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C	REAL300000372982	0	39	-2.0	-111.41	347.06	3.48	-107.93
CC1=CC(O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000372983	0	35	-2.0	-110.81	323.57	3.41	-107.40
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C)C=C(C(=O)[O-])O1	REAL300000372985	0	32	-2.0	-99.95	299.64	2.05	-97.90
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C)=C1	REAL300000372987	0	36	-2.0	-106.82	325.60	2.00	-104.82
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000372990	1	32	-2.0	-98.19	314.23	3.50	-94.69
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000372994	1	35	-2.0	-97.96	317.34	3.73	-94.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C)C=C(C(=O)[O-])S1	REAL300000372999	1	32	-2.0	-103.35	305.26	2.80	-100.55
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000373000	0	32	-2.0	-95.26	324.86	3.93	-91.33
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000373001	1	32	-2.0	-90.98	309.69	3.48	-87.50
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000373002	1	32	-2.0	-90.51	313.04	3.62	-86.89
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000373004	0	29	-2.0	-95.38	288.90	2.04	-93.34
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000373005	1	32	-2.0	-96.42	303.05	2.97	-93.45
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000373006	0	35	-2.0	-104.56	322.38	3.62	-100.94
COC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000373007	1	36	-2.0	-95.66	336.94	3.53	-92.13
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000373008	0	32	-2.0	-92.80	302.10	2.98	-89.82
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000373011	1	40	-2.0	-90.14	360.37	4.32	-85.82
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000373014	1	34	-2.0	-91.13	324.83	3.58	-87.55
CC1=CC(O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000373015	0	33	-2.0	-105.30	300.48	1.49	-103.81
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000373015	1	33	-2.0	-106.02	306.35	0.63	-105.39
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000373022	1	34	-2.0	-104.56	323.19	4.00	-100.56
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000373023	0	32	-2.0	-94.79	308.37	3.04	-91.75
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000373024	0	29	-2.0	-93.18	309.21	2.60	-90.58
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000373026	0	35	-2.0	-104.24	318.11	3.51	-100.73
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000373027	0	35	-2.0	-103.25	328.42	4.05	-99.20
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C)=C1	REAL300000373028	0	35	-2.0	-109.72	321.68	3.61	-106.11
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C)C=C1C(=O)[O-]	REAL300000373035	1	36	-2.0	-105.24	324.67	3.12	-102.12
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000373037	0	32	-2.0	-93.56	322.24	3.47	-90.09
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000373038	0	36	-2.0	-92.52	341.34	3.20	-89.32
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000373040	1	41	-2.0	-102.77	346.07	5.05	-97.72
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C)C=C1C(=O)[O-]	REAL300000373041	1	36	-2.0	-107.05	336.96	3.54	-103.51
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000373043	0	37	-2.0	-98.08	339.89	5.11	-92.97
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000373045	0	34	-2.0	-111.81	320.38	4.76	-107.05
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000373046	0	32	-2.0	-108.92	300.27	2.94	-105.98
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000373049	0	31	-2.0	-103.67	292.85	1.03	-102.64
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C	REAL300000373050	1	36	-2.0	-97.64	324.84	2.71	-94.93
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000373051	0	29	-2.0	-93.87	296.74	1.90	-91.97
CC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000373053	0	35	-2.0	-96.85	339.96	-0.05	-96.90
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C)C=C(C(=O)[O-])O1	REAL300000373056	0	35	-2.0	-99.86	318.76	2.90	-96.96
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000373057	1	42	-2.0	-92.80	374.86	1.68	-91.12
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000373058	1	35	-2.0	-109.96	322.95	3.12	-106.84
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(CO)=CC=C1C	REAL300000373059	0	43	-2.0	-111.19	378.03	4.18	-107.01
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000373061	1	35	-2.0	-111.90	318.41	3.09	-108.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(CO)=CC=C1C	REAL300000373062	0	39	-2.0	-118.63	346.55	2.89	-115.74
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000373063	1	39	-2.0	-98.87	349.86	4.39	-94.48
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000373065	1	41	-2.0	-116.20	351.07	4.44	-111.76
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000373066	0	35	-2.0	-110.23	323.88	3.16	-107.07
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000373067	1	41	-2.0	-98.36	361.98	4.68	-93.68
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000373068	0	32	-2.0	-106.74	311.59	2.11	-104.63
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000373069	1	38	-2.0	-113.96	333.84	3.88	-110.08
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000373071	1	36	-2.0	-110.22	325.05	2.44	-107.78
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(CO)=CC=C2C)=C1	REAL300000373073	0	35	-2.0	-102.34	327.52	2.78	-99.56
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000373075	0	32	-2.0	-108.22	310.06	2.12	-106.10
COC1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000373076	1	43	-2.0	-112.31	376.72	2.90	-109.41
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000373078	1	45	-2.0	-117.10	373.64	5.72	-111.38
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000373079	1	44	-2.0	-116.23	372.31	5.11	-111.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(CO)=CC=C1C	REAL300000373080	1	41	-2.0	-112.11	348.02	4.80	-107.31
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(CO)=CC=C1C	REAL300000373081	0	42	-2.0	-118.99	368.84	3.66	-115.33
CC1=CC=C(CO)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000373082	0	38	-2.0	-109.46	345.36	3.60	-105.86
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000373082	1	37	-3.0	-188.30	346.81	3.66	-184.64
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000373083	1	42	-2.0	-117.46	362.65	4.99	-112.47
CC1=C(S(=O)(=O)[N-]C2=CC(CO)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000373084	0	35	-2.0	-105.92	321.42	2.23	-103.69
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000373085	1	41	-2.0	-117.69	360.58	2.87	-114.82
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(CO)=CC=C2C)=C1	REAL300000373086	0	39	-2.0	-112.53	347.32	2.18	-110.35
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000373088	1	35	-2.0	-101.34	346.08	3.94	-97.40
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000373089	1	39	-2.0	-96.08	365.51	3.91	-92.17
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000373091	1	45	-2.0	-96.83	398.16	4.33	-92.50
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000373092	1	38	-2.0	-104.13	339.11	3.91	-100.22
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000373094	1	39	-2.0	-97.06	355.71	3.43	-93.63
CC1=C(S(=O)(=O)[N-]C2=CC(CO)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000373096	1	35	-2.0	-110.01	328.10	2.98	-107.03
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000373097	0	35	-2.0	-101.25	346.64	4.11	-97.14
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000373098	0	35	-2.0	-96.70	331.46	3.65	-93.05
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000373099	1	35	-2.0	-98.81	322.93	3.13	-95.68
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000373100	0	32	-2.0	-101.09	310.67	2.22	-98.87
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000373101	1	35	-2.0	-103.32	324.82	3.15	-100.17
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000373102	0	38	-2.0	-111.21	344.15	3.79	-107.42
COC1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000373103	0	39	-2.0	-101.26	358.71	3.71	-97.55
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000373104	0	35	-2.0	-98.74	323.87	3.16	-95.58
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000373105	1	35	-2.0	-96.88	330.90	3.50	-93.38
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000373106	1	38	-2.0	-105.96	347.85	4.29	-101.67
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000373107	1	43	-2.0	-95.60	382.14	4.50	-91.10
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000373108	1	37	-2.0	-96.72	346.60	3.75	-92.97
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000373109	0	36	-2.0	-112.91	328.12	0.81	-112.10
CC1=CC=C(CO)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000373109	1	36	-2.0	-109.90	322.28	1.69	-108.21
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000373110	1	38	-2.0	-103.45	340.58	3.88	-99.57
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000373111	1	35	-2.0	-102.06	339.11	3.62	-98.44
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000373112	1	38	-2.0	-108.26	328.44	3.73	-104.53
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000373116	0	37	-2.0	-110.57	344.98	4.18	-106.39
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000373117	0	35	-2.0	-101.12	330.14	3.22	-97.90
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000373119	0	38	-2.0	-112.54	343.72	3.79	-108.75
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000373120	0	38	-2.0	-109.46	350.19	4.23	-105.23
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(CO)=CC=C2C)=C1	REAL300000373121	0	38	-2.0	-116.39	343.45	3.78	-112.61
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000373124	1	38	-2.0	-100.96	344.67	4.28	-96.68
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000373125	1	38	-2.0	-95.87	348.52	3.90	-91.97
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000373126	1	38	-2.0	-110.34	349.63	4.05	-106.29
CCN1C=C(S(=O)(=O)[N-]C2=CC(CO)=CC=C2C)C=C1C(=O)[O-]	REAL300000373127	1	39	-2.0	-112.26	346.36	3.29	-108.97
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000373129	0	35	-2.0	-100.01	344.01	3.65	-96.36
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000373130	1	38	-2.0	-105.28	348.27	4.06	-101.22
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(CO)=CC=C2C)C=C1C(=O)[O-]	REAL300000373131	0	39	-2.0	-113.19	358.73	3.72	-109.47
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000373133	0	40	-2.0	-103.66	361.66	5.28	-98.38
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000373135	0	37	-2.0	-118.33	342.13	4.94	-113.39
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000373136	0	35	-2.0	-115.50	322.07	3.13	-112.37
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000373137	1	38	-2.0	-103.57	339.57	3.66	-99.91
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000373138	1	41	-2.0	-121.43	359.45	5.21	-116.22
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000373139	0	34	-2.0	-109.80	315.39	1.16	-108.64
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(CO)=CC=C1C	REAL300000373140	0	39	-2.0	-103.85	346.61	2.89	-100.96
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000373141	0	32	-2.0	-99.59	318.51	2.08	-97.51
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000373142	1	42	-2.0	-106.52	364.53	4.98	-101.54
CC1=CC=C(CO)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000373143	1	42	-2.0	-109.08	362.49	4.96	-104.12
CCC1=C(S(=O)(=O)[N-]C2=CC(CO)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000373144	0	38	-2.0	-106.26	340.52	3.08	-103.18
CC(C)CN(C1=CC=CC(O)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000373168	0	44	-2.0	-111.94	386.04	6.18	-105.76
CC(C)CN(C1=CC=CC(O)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000373187	0	42	-2.0	-110.66	358.64	4.25	-106.41
O=C([O-])C1=CC(OC2=CC=C(F)C=C2)=C(F)C=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000373217	0	36	-2.0	-111.25	347.71	4.65	-106.60
O=C([O-])C1=CC(OC2=CC=C(F)C=C2)=C(F)C=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000373219	0	36	-2.0	-126.58	347.60	5.65	-120.93
O=C([O-])C1=CC(OC2=CC=C(F)C=C2)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000373220	0	36	-2.0	-116.21	348.81	6.25	-109.96
O=C([O-])C1=CC(OC2=CC=C(F)C=C2)=C(F)C=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000373221	0	36	-2.0	-114.22	348.66	6.14	-108.08
O=C([O-])C1=CC(OC2=CC=C(F)C=C2)=C(F)C=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000373222	0	36	-2.0	-118.11	347.75	4.84	-113.27
CN1C2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])CCC1=O	REAL300000373253	0	40	-2.0	-116.65	345.02	5.71	-110.94
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000373275	1	37	-2.0	-102.67	333.77	4.00	-98.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OCC(=O)N(C)C2=C1	REAL300000373276	0	41	-2.0	-107.79	361.91	3.80	-103.99
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C21	REAL300000373277	1	41	-2.0	-90.82	364.33	5.27	-85.55
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C21	REAL300000373279	0	37	-2.0	-98.43	346.84	4.57	-93.86
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000373280	1	37	-2.0	-98.92	345.39	4.37	-94.55
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000373282	0	37	-2.0	-99.77	339.25	4.06	-95.71
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C21	REAL300000373283	1	43	-2.0	-89.89	376.44	5.56	-84.33
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000373284	0	34	-2.0	-97.27	326.95	3.01	-94.26
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OCC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000373287	1	38	-2.0	-101.27	339.52	3.33	-97.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OCC(=O)N(C)C3=C2)=C1	REAL300000373289	0	37	-2.0	-93.76	341.98	3.65	-90.11
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000373291	1	34	-2.0	-98.64	324.52	3.00	-95.64
CC1=C(S(=O)(=O)[N-]C2=CC=C3OCC(=O)N(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000373294	0	37	-2.0	-97.24	336.78	3.14	-94.10
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3OCC(=O)N(C)C3=C2)=C1	REAL300000373295	0	41	-2.0	-104.01	361.86	3.06	-100.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OCC(=O)N(C)C2=C1	REAL300000373296	1	40	-2.0	-94.53	353.58	4.79	-89.74
CC1=C(S(=O)(=O)[N-]C2=CC=C3OCC(=O)N(C)C3=C2)C=C(C(=O)[O-])S1	REAL300000373297	1	37	-2.0	-100.43	342.37	3.89	-96.54
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C21	REAL300000373298	0	37	-2.0	-88.75	345.93	4.53	-84.22
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000373299	1	37	-2.0	-90.75	337.40	4.01	-86.74
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000373300	0	34	-2.0	-92.56	326.04	3.13	-89.43
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000373301	1	37	-2.0	-93.82	339.28	4.04	-89.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OCC(=O)N(C)C3=C2)=C1F	REAL300000373302	0	40	-2.0	-101.08	358.63	4.68	-96.40
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000373303	0	37	-2.0	-90.33	338.34	4.04	-86.29
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C21	REAL300000373304	1	37	-2.0	-88.67	345.37	4.37	-84.30
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000373305	1	37	-2.0	-92.59	343.70	4.07	-88.52
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000373306	0	38	-2.0	-102.67	343.48	1.71	-100.96
CN1C(=O)COC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000373306	1	38	-2.0	-102.77	341.78	2.49	-100.28
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000373307	1	40	-2.0	-94.17	355.04	4.76	-89.41
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C21	REAL300000373312	0	37	-2.0	-91.68	344.63	4.10	-87.58
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3OCC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000373314	0	40	-2.0	-101.94	358.19	4.67	-97.27
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3OCC(=O)N(C)C3=C2)=C1	REAL300000373315	0	40	-2.0	-107.51	357.91	4.66	-102.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OCC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000373317	1	41	-2.0	-102.42	360.89	4.19	-98.23
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000373320	0	37	-2.0	-106.79	336.49	4.00	-102.79
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3OCC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000373321	1	40	-2.0	-95.74	357.82	4.65	-91.09
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000373322	0	36	-2.0	-100.20	329.10	2.11	-98.09
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OCC(=O)N(C)C2=C1	REAL300000373323	0	41	-2.0	-94.99	361.07	3.78	-91.21
CN1C(=O)COC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000373324	0	34	-2.0	-91.23	333.02	2.96	-88.27
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OCC(=O)N(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000373325	0	40	-2.0	-97.15	355.90	3.99	-93.16
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1	REAL300000373326	0	32	-2.0	-88.11	313.43	2.51	-85.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC=C1F	REAL300000373327	1	25	-2.0	-104.21	261.49	3.94	-100.27
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC=C1	REAL300000373328	0	33	-2.0	-105.96	316.58	5.02	-100.94
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373329	0	25	-2.0	-102.17	273.38	4.63	-97.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC=C1	REAL300000373330	0	29	-2.0	-112.87	285.10	3.73	-109.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC=C1Br	REAL300000373331	0	25	-2.0	-102.05	273.20	4.40	-97.65
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1	REAL300000373332	1	29	-2.0	-93.89	288.42	5.22	-88.67
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373333	0	25	-2.0	-102.74	270.03	4.48	-98.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC=C1Cl	REAL300000373334	0	25	-2.0	-102.55	269.47	4.30	-98.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=C(Cl)C=C1Cl	REAL300000373335	0	25	-2.0	-98.30	282.53	4.88	-93.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CSC=C2)=C1C	REAL300000373336	1	31	-2.0	-110.30	289.62	5.27	-105.03
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373337	0	25	-2.0	-104.41	262.44	3.97	-100.44
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1	REAL300000373338	0	31	-2.0	-93.37	300.54	5.50	-87.87
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1	REAL300000373339	1	29	-2.0	-92.59	288.04	4.20	-88.39
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CSC=C3)C=C2)C1	REAL300000373340	1	36	-2.0	-89.42	333.79	4.98	-84.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=C(Br)S1	REAL300000373341	0	22	-2.0	-98.04	267.14	3.70	-94.34
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC=C1	REAL300000373342	1	29	-2.0	-108.63	281.16	2.72	-105.91
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CSC=C2)=C1F	REAL300000373343	0	25	-2.0	-102.21	281.88	4.55	-97.66
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373344	0	25	-2.0	-97.06	266.07	3.60	-93.46
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1C(=O)[O-]	REAL300000373345	1	31	-2.0	-109.42	288.42	5.23	-104.19
COC1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC(C(=O)[O-])=C1OC	REAL300000373346	1	33	-2.0	-107.06	315.27	3.72	-103.34
COC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1C(=O)[O-]	REAL300000373347	1	29	-2.0	-112.60	284.25	3.99	-108.61
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373348	1	35	-2.0	-112.14	312.21	6.55	-105.59
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC=C1	REAL300000373349	0	34	-2.0	-110.46	310.86	5.93	-104.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC=C1	REAL300000373350	1	31	-2.0	-106.65	287.11	5.64	-101.01
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC=C1	REAL300000373351	0	32	-2.0	-112.99	307.39	4.48	-108.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC(C(=O)[O-])=C1	REAL300000373352	0	27	-3.0	-180.79	285.38	4.48	-176.31
O=C([O-])C1=CC(S(=O)(=O)NC2=CSC=C2)=CC(C(=O)[O-])=C1	REAL300000373352	1	28	-2.0	-106.53	287.37	4.49	-102.04
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373353	1	32	-2.0	-112.39	301.20	5.81	-106.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC2=C1OCCO2	REAL300000373354	1	31	-2.0	-111.59	299.14	3.68	-107.91
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373355	0	29	-2.0	-107.81	285.95	3.01	-104.80
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CSC=C3)C=C2C1	REAL300000373356	1	33	-2.0	-93.37	309.88	4.52	-88.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC(Cl)=C1Cl	REAL300000373357	0	25	-2.0	-96.25	284.63	4.76	-91.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=C(Cl)C=C1F	REAL300000373358	0	25	-2.0	-99.34	274.55	4.51	-94.83
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1Cl	REAL300000373359	1	29	-2.0	-91.10	304.06	4.74	-86.36
CC1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC=C1OCC(=O)[O-]	REAL300000373360	1	32	-2.0	-93.24	308.12	4.90	-88.34
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1F	REAL300000373361	0	35	-2.0	-92.15	336.71	5.16	-86.99
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC=C1	REAL300000373362	0	28	-2.0	-98.62	277.67	4.73	-93.89
CC1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC=C1OCCCC(=O)[O-]	REAL300000373363	1	38	-2.0	-93.55	350.55	5.83	-87.72
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1F	REAL300000373364	0	29	-2.0	-91.99	294.25	4.26	-87.73
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1Cl	REAL300000373365	1	35	-2.0	-91.88	346.51	5.65	-86.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1C(=O)[O-]	REAL300000373366	1	32	-2.0	-113.31	306.09	4.89	-108.42
CC1=C(S(=O)(=O)[N-]C2=CSC=C2)C=C(C(=O)[O-])S1	REAL300000373367	0	25	-2.0	-104.41	266.65	3.81	-100.60
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373368	0	25	-2.0	-96.42	285.18	4.93	-91.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C(Cl)=C1	REAL300000373369	0	25	-2.0	-91.70	270.01	4.47	-87.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C(Br)=C1	REAL300000373370	0	25	-2.0	-91.21	273.36	4.62	-86.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1F	REAL300000373371	0	25	-2.0	-93.61	261.49	3.95	-89.66
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373372	0	25	-2.0	-97.57	263.36	3.98	-93.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CSC=C2)=C1F	REAL300000373373	0	28	-2.0	-105.80	282.73	4.62	-101.18
COC1=CC(S(=O)(=O)[N-]C2=CSC=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000373374	0	29	-2.0	-96.32	297.27	4.54	-91.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C(F)=C1	REAL300000373375	0	25	-2.0	-93.51	262.42	3.98	-89.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1Cl	REAL300000373376	1	25	-2.0	-91.73	269.46	4.31	-87.42
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC=C1	REAL300000373377	0	28	-2.0	-100.39	286.40	5.11	-95.28
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]C1=CSC=C1	REAL300000373378	0	28	-2.0	-96.34	287.79	5.20	-91.14
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1	REAL300000373379	0	33	-2.0	-90.92	320.70	5.33	-85.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1Br	REAL300000373380	1	25	-2.0	-91.32	273.20	4.41	-86.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC(F)=C1F	REAL300000373381	0	25	-2.0	-95.67	267.78	4.00	-91.67
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373382	0	27	-2.0	-91.67	285.15	4.58	-87.09
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1C(=O)[O-]	REAL300000373383	1	28	-2.0	-101.79	294.81	5.07	-96.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC(Cl)=C1F	REAL300000373384	0	25	-2.0	-97.15	277.67	4.44	-92.71
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC=C1	REAL300000373385	0	28	-2.0	-100.91	290.43	5.20	-95.71
CC1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC(C(=O)[O-])=C1F	REAL300000373386	1	28	-2.0	-105.57	281.81	4.56	-101.01
CC1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC(C(=O)[O-])=C1C	REAL300000373387	1	31	-2.0	-111.15	294.46	5.11	-106.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC=C1[N+](=O)[O-]	REAL300000373388	0	27	-2.0	-104.83	283.51	5.01	-99.82
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373389	0	25	-2.0	-95.78	268.71	4.04	-91.74
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CSC=C2)S1	REAL300000373390	0	22	-2.0	-93.44	269.54	3.61	-89.83
CC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C(C)=C1C(=O)[O-]	REAL300000373391	1	31	-2.0	-106.66	291.44	5.30	-101.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1C(=O)[O-]	REAL300000373392	0	28	-2.0	-105.51	278.43	4.52	-100.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CSC=C2)=C1Cl	REAL300000373393	0	28	-2.0	-104.53	288.70	5.05	-99.48
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373394	0	28	-2.0	-111.20	282.00	4.60	-106.60
COC1=CC(Br)=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1C(=O)[O-]	REAL300000373395	0	29	-2.0	-107.78	300.63	4.68	-103.10
CCC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1C(=O)[O-]	REAL300000373396	1	31	-2.0	-108.71	290.93	5.10	-103.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=C(Br)C=C1F	REAL300000373397	0	25	-2.0	-98.93	277.90	4.64	-94.29
COC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1CC(=O)[O-]	REAL300000373398	1	32	-2.0	-108.82	307.42	4.04	-104.78
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CSC=C1	REAL300000373399	0	28	-2.0	-95.97	283.22	5.10	-90.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1C(F)(F)F	REAL300000373400	1	28	-2.0	-90.75	287.08	4.73	-86.02
CC1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC(C(=O)[O-])=C1Cl	REAL300000373401	0	28	-2.0	-104.34	288.20	4.87	-99.47
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373402	0	25	-2.0	-99.49	278.25	4.52	-94.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CSC=C2)=C1Br	REAL300000373403	0	28	-2.0	-104.20	291.52	5.18	-99.02
CCN1C=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1C(=O)[O-]	REAL300000373404	0	29	-2.0	-106.49	284.98	4.14	-102.35
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CSC=C2)C(C)=C1CC(=O)[O-]	REAL300000373405	1	37	-2.0	-106.76	322.11	6.79	-99.97
O=C([O-])C1=CC(F)=C(Br)C(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373406	0	25	-2.0	-94.44	279.06	4.67	-89.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC(Br)=C1Cl	REAL300000373407	0	25	-2.0	-96.71	288.85	4.86	-91.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=C(F)C(Cl)=C1F	REAL300000373408	0	25	-2.0	-94.49	282.54	4.48	-90.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C(OC(F)(F)F)=C1	REAL300000373409	0	29	-2.0	-93.21	301.65	4.23	-88.98
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1C(=O)[O-]	REAL300000373410	1	28	-2.0	-101.21	290.70	4.98	-96.23
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CSC=C2)C=C(C(=O)[O-])S1	REAL300000373411	0	34	-2.0	-104.29	306.41	6.05	-98.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=C(Br)C=C1Cl	REAL300000373412	0	25	-2.0	-97.85	285.88	5.00	-92.85
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1C(=O)[O-]	REAL300000373413	0	29	-2.0	-108.25	297.28	4.55	-103.70
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=CSC=C2)C(C)=C1C(=O)[O-]	REAL300000373414	1	31	-2.0	-100.14	308.58	5.86	-94.28
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2)C([N+](=O)[O-])=C1	REAL300000373415	0	30	-2.0	-99.18	300.23	6.11	-93.07
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC=C1	REAL300000373416	1	28	-2.0	-105.50	276.91	4.72	-100.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CSC=C2)=C1[N+](=O)[O-]	REAL300000373417	0	27	-2.0	-113.39	280.68	5.78	-107.61
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CSC=C2)=C1F	REAL300000373418	0	25	-2.0	-110.39	260.62	3.95	-106.44
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CSC=C2)C=C1C(=O)[O-]	REAL300000373419	0	28	-2.0	-99.34	281.90	4.59	-94.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC2=CC=CC=C21	REAL300000373420	0	31	-2.0	-115.11	298.00	6.05	-109.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CSC=C1	REAL300000373421	0	29	-2.0	-98.62	285.16	3.73	-94.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=C(Cl)O1	REAL300000373422	0	22	-2.0	-94.39	257.11	2.90	-91.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC=C2)=CC=C1OC(F)(F)F	REAL300000373423	1	29	-2.0	-101.73	300.75	4.47	-97.26
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CSC=C2)=C1	REAL300000373424	0	28	-2.0	-97.63	300.31	0.95	-96.68
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CSC=C3)C=C2)CC1	REAL300000373425	0	32	-2.0	-101.02	303.09	5.80	-95.22
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CSC=C3)C=C2C1	REAL300000373426	0	32	-2.0	-104.13	302.40	5.80	-98.33
CCC1=C(S(=O)(=O)[N-]C2=CSC=C2)C=C(C(=O)[O-])O1	REAL300000373427	0	28	-2.0	-101.00	279.09	3.92	-97.08
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373428	1	37	-2.0	-110.96	344.76	6.51	-104.45
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373429	1	34	-2.0	-110.52	329.32	5.73	-104.79
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)C=C1F	REAL300000373430	1	33	-2.0	-105.79	310.46	4.93	-100.86
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1F	REAL300000373432	0	28	-2.0	-114.15	283.04	5.36	-108.79
O=C([O-])C1=C(F)C=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1F	REAL300000373433	0	31	-2.0	-105.41	314.50	4.66	-100.75
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1F	REAL300000373433	1	30	-3.0	-156.67	308.01	4.79	-151.88
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1F	REAL300000373434	0	27	-2.0	-98.56	286.40	3.70	-94.86
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373435	1	29	-2.0	-104.86	295.38	5.46	-99.40
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373436	1	29	-2.0	-100.82	295.36	5.46	-95.36
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1F	REAL300000373437	0	28	-2.0	-103.72	296.75	5.65	-98.07
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C=C1F	REAL300000373438	0	28	-2.0	-108.33	291.03	5.78	-102.55
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C=C1F	REAL300000373439	1	32	-2.0	-100.32	320.52	4.87	-95.45
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000373440	0	31	-2.0	-124.23	314.03	5.53	-118.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000373440	1	30	-3.0	-169.15	307.54	5.66	-163.49
CC1=C(C)C(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C)=C1C	REAL300000373441	1	43	-2.0	-109.33	351.34	8.22	-101.11
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1F	REAL300000373442	1	37	-2.0	-106.22	337.37	5.01	-101.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000373443	0	33	-2.0	-105.71	318.74	6.26	-99.45
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C=C1F	REAL300000373444	0	25	-2.0	-100.27	288.14	4.80	-95.47
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373445	1	46	-2.0	-106.79	380.87	9.06	-97.73
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C=C1F	REAL300000373446	1	44	-2.0	-106.06	376.41	8.88	-97.18
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1F	REAL300000373447	1	31	-2.0	-99.90	313.27	6.07	-93.83
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)C=C1F	REAL300000373448	1	38	-2.0	-108.53	337.25	7.56	-100.97
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373449	0	31	-2.0	-107.36	309.48	5.51	-101.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373449	1	30	-3.0	-158.14	302.99	5.64	-152.50
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373450	0	36	-2.0	-115.29	332.28	4.15	-111.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1OC	REAL300000373451	1	36	-2.0	-105.82	333.27	4.28	-101.54
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)C=C1F	REAL300000373452	1	35	-2.0	-108.66	320.09	6.98	-101.68
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373453	0	30	-2.0	-97.90	289.46	3.99	-93.91
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1F	REAL300000373454	1	28	-2.0	-99.05	306.46	6.05	-93.00
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373455	0	31	-2.0	-122.72	309.66	5.51	-117.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373455	1	30	-3.0	-171.89	303.01	5.63	-166.26
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1F	REAL300000373456	1	28	-2.0	-98.49	287.25	5.19	-93.30
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C1F	REAL300000373457	0	28	-2.0	-104.40	304.40	6.16	-98.24
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1F	REAL300000373458	1	31	-2.0	-103.83	313.27	6.07	-97.76
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373459	1	31	-2.0	-107.82	295.94	5.74	-102.08
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C1F	REAL300000373461	0	31	-2.0	-110.61	300.41	6.46	-104.15
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1F	REAL300000373462	1	28	-2.0	-104.15	291.29	5.59	-98.56
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373463	1	33	-2.0	-106.44	317.29	5.57	-100.87
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373464	1	34	-2.0	-108.13	311.43	6.52	-101.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000373465	1	34	-2.0	-108.53	313.66	6.31	-102.22
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1F	REAL300000373466	1	28	-2.0	-98.63	297.14	5.64	-92.99
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373467	1	33	-2.0	-116.68	315.82	5.47	-111.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C)=C1	REAL300000373468	1	34	-2.0	-107.61	311.44	6.52	-101.09
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373469	0	34	-2.0	-119.43	321.54	6.44	-112.99
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373470	0	37	-2.0	-102.44	351.18	6.66	-95.78
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C1F	REAL300000373471	0	28	-2.0	-106.01	302.86	6.09	-99.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000373472	1	34	-2.0	-105.36	330.06	5.82	-99.54
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373473	1	40	-2.0	-106.58	350.76	7.40	-99.18
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373474	1	37	-2.0	-106.52	334.77	7.00	-99.52
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373475	1	40	-2.0	-106.38	353.22	7.66	-98.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373476	0	34	-3.0	-177.67	331.14	5.43	-172.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373476	1	35	-2.0	-119.32	331.65	4.96	-114.36
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373477	0	35	-2.0	-105.91	340.95	6.80	-99.11
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373477	1	34	-3.0	-158.89	334.46	6.92	-151.97
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C1F	REAL300000373478	0	28	-2.0	-108.98	298.14	6.40	-102.58
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1F	REAL300000373479	0	25	-2.0	-100.20	283.51	4.69	-95.51
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373480	1	37	-2.0	-106.65	338.94	7.29	-99.36
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373481	0	32	-2.0	-113.75	302.78	4.88	-108.87
CC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000373482	0	34	-2.0	-124.06	325.73	6.02	-118.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000373482	1	33	-3.0	-173.21	319.02	6.16	-167.05
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1F	REAL300000373483	0	28	-2.0	-101.98	292.60	5.26	-96.72
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1F	REAL300000373484	0	28	-2.0	-99.25	308.00	6.10	-93.15
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1F	REAL300000373485	0	28	-2.0	-108.79	287.68	5.63	-103.16
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C=C1F	REAL300000373486	1	28	-2.0	-104.05	295.85	5.70	-98.35
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1F	REAL300000373487	0	30	-2.0	-104.90	302.76	5.74	-99.16
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373488	0	33	-2.0	-105.21	318.24	6.52	-98.69
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C=C1F	REAL300000373489	0	30	-2.0	-99.52	315.22	6.12	-93.40
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CS2)C=C1F	REAL300000373490	0	25	-2.0	-105.50	266.47	4.07	-101.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373491	1	32	-2.0	-105.40	304.02	4.37	-101.03
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1F	REAL300000373492	0	30	-2.0	-118.72	295.63	6.49	-112.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373493	1	31	-2.0	-107.29	295.94	5.75	-101.54
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373494	1	35	-2.0	-105.03	325.88	5.30	-99.73
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1F	REAL300000373495	0	28	-2.0	-103.28	286.43	5.20	-98.08
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1F	REAL300000373496	1	28	-2.0	-104.37	280.96	5.14	-99.23
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1F	REAL300000373497	0	28	-2.0	-98.66	287.35	5.21	-93.45
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000373498	1	40	-2.0	-107.79	338.05	7.76	-100.03
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1F	REAL300000373499	1	34	-2.0	-107.46	319.02	4.23	-103.23
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C)=C1	REAL300000373500	1	37	-2.0	-107.39	326.08	7.40	-99.99
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373501	1	43	-2.0	-109.26	366.23	8.18	-101.08
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1F	REAL300000373502	1	28	-2.0	-101.28	291.27	5.59	-95.69
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C=C1F	REAL300000373503	1	28	-2.0	-101.13	295.84	5.70	-95.43
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1F	REAL300000373504	0	30	-2.0	-96.92	302.77	5.74	-91.18
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1F	REAL300000373505	1	28	-2.0	-107.43	274.55	5.07	-102.36
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373506	1	35	-2.0	-112.70	330.63	3.96	-108.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000373507	0	28	-2.0	-106.29	288.36	4.87	-101.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000373508	0	37	-2.0	-122.74	338.18	6.98	-115.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000373508	1	36	-3.0	-174.81	335.39	6.95	-167.86
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373509	0	32	-2.0	-107.29	319.53	5.38	-101.91
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373510	0	30	-3.0	-168.90	308.48	5.69	-163.21
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=C1F	REAL300000373511	0	25	-2.0	-99.69	297.38	5.23	-94.46
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373512	1	43	-2.0	-106.53	378.00	8.58	-97.95
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373513	0	33	-2.0	-102.87	315.17	6.48	-96.39
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1F	REAL300000373514	0	28	-2.0	-106.45	286.44	5.20	-101.25
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373515	0	37	-2.0	-106.55	353.07	7.09	-99.46
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373515	1	36	-3.0	-158.58	346.58	7.22	-151.36
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373516	1	38	-2.0	-112.51	351.21	4.78	-107.73
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1F	REAL300000373517	1	32	-2.0	-104.02	310.29	1.89	-102.13
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373518	1	32	-2.0	-105.12	314.73	6.09	-99.03
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1F	REAL300000373519	1	33	-2.0	-104.69	316.58	3.53	-101.16
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=C1F	REAL300000373520	1	36	-2.0	-105.66	334.37	4.26	-101.40
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C=C1F	REAL300000373521	1	33	-2.0	-105.85	322.82	5.25	-100.60
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373522	0	27	-3.0	-165.04	296.18	4.65	-160.39
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1F	REAL300000373523	1	31	-2.0	-103.59	306.29	2.57	-101.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373524	0	34	-2.0	-121.48	321.15	6.38	-115.10
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373524	1	33	-3.0	-173.11	318.43	6.42	-166.69
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373525	0	34	-2.0	-105.92	311.24	4.11	-101.81
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000373526	0	36	-2.0	-104.63	335.25	7.05	-97.58
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373527	0	34	-2.0	-102.78	329.31	5.74	-97.04
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373528	1	35	-2.0	-106.92	330.98	3.35	-103.57
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373529	0	33	-2.0	-107.20	328.74	0.03	-107.17
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)C=C1F	REAL300000373530	1	39	-2.0	-113.71	352.34	6.19	-107.52
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373531	0	37	-2.0	-115.84	346.68	6.76	-109.08
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373532	1	32	-2.0	-106.92	309.05	1.85	-105.07
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000373533	1	39	-2.0	-115.02	353.79	6.13	-108.89
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373534	1	34	-2.0	-106.86	317.44	6.51	-100.35
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1F	REAL300000373535	1	34	-2.0	-109.48	320.49	7.36	-102.12
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=CS1	REAL300000373536	0	31	-2.0	-116.31	314.12	5.38	-110.93
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373537	1	38	-2.0	-106.08	351.11	5.58	-100.50
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373539	0	35	-2.0	-105.80	340.56	5.79	-100.01
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373539	1	34	-3.0	-157.64	334.07	5.92	-151.72
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373540	1	40	-2.0	-106.84	355.70	7.76	-99.08
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1F	REAL300000373541	1	28	-2.0	-100.79	280.95	5.14	-95.65
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1F	REAL300000373542	0	28	-2.0	-111.15	280.02	5.13	-106.02
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C1F	REAL300000373543	1	33	-2.0	-103.76	316.92	5.58	-98.18
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373544	0	34	-2.0	-120.75	328.68	3.58	-117.17
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=C2N=C1	REAL300000373545	0	36	-2.0	-122.22	335.88	6.35	-115.87
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373546	1	38	-2.0	-104.58	347.38	6.10	-98.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(Cl)=C1	REAL300000373547	0	31	-2.0	-108.38	309.08	6.30	-102.08
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C=C1F	REAL300000373548	0	32	-2.0	-109.40	319.29	5.35	-104.05
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C=C1F	REAL300000373549	1	34	-2.0	-104.67	325.29	2.30	-102.37
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373550	0	33	-2.0	-111.03	328.78	0.03	-111.00
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000373551	1	36	-2.0	-104.80	337.83	5.53	-99.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C([N+](=O)[O-])=C1	REAL300000373552	0	34	-2.0	-114.37	325.08	5.80	-108.57
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=C2C1=O	REAL300000373553	0	35	-2.0	-102.04	340.17	4.33	-97.71
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C=C1F	REAL300000373554	1	33	-2.0	-102.11	322.23	6.58	-95.53
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000373555	1	34	-2.0	-104.87	328.67	5.03	-99.84
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C=C1F	REAL300000373556	1	32	-2.0	-102.13	320.54	4.87	-97.26
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373557	0	34	-2.0	-111.44	335.24	2.59	-108.85
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373558	1	31	-2.0	-100.96	296.42	5.92	-95.04
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C1F	REAL300000373559	0	38	-2.0	-110.58	344.36	8.95	-101.63
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1F	REAL300000373560	0	28	-2.0	-101.39	294.07	5.70	-95.69
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C=C1F	REAL300000373561	0	40	-2.0	-113.91	360.47	4.42	-109.49
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000373562	0	35	-2.0	-117.09	336.39	4.02	-113.07
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373563	1	34	-2.0	-113.75	335.24	2.60	-111.15
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1OC	REAL300000373565	0	36	-2.0	-107.23	338.75	4.34	-102.89
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1OC	REAL300000373566	1	39	-2.0	-106.41	348.71	5.05	-101.36
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000373567	0	31	-3.0	-169.69	309.65	4.99	-164.70
CN1C=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000373567	1	32	-2.0	-102.64	316.11	4.85	-97.79
CN1C=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000373568	0	28	-2.0	-113.36	292.00	4.65	-108.71
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(N)=O	REAL300000373569	0	33	-2.0	-105.76	316.74	1.23	-104.53
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373570	0	35	-2.0	-122.24	329.10	4.46	-117.78
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373570	1	34	-3.0	-173.49	327.20	4.45	-169.04
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373571	1	39	-2.0	-107.08	359.50	4.57	-102.51
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000373572	1	32	-2.0	-103.92	320.06	4.93	-98.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000373573	1	32	-2.0	-103.87	310.26	4.45	-99.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000373574	1	35	-2.0	-106.16	324.12	5.12	-101.04
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000373575	1	38	-2.0	-105.78	345.96	6.04	-99.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(N)=O	REAL300000373576	1	35	-2.0	-102.73	325.15	2.52	-100.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(N)=O	REAL300000373577	1	36	-2.0	-104.69	336.36	2.45	-102.24
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000373578	0	28	-2.0	-104.66	279.08	2.78	-101.88
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373579	0	33	-2.0	-97.02	318.25	6.53	-90.49
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CN1C	REAL300000373580	0	36	-2.0	-106.26	338.73	2.72	-103.54
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373581	1	31	-2.0	-104.49	306.75	6.38	-98.11
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373582	1	41	-2.0	-104.65	367.48	6.79	-97.86
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=N2)C=C1	REAL300000373583	0	38	-2.0	-105.21	356.51	6.87	-98.34
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)C=C1F	REAL300000373584	1	35	-2.0	-101.51	334.05	5.48	-96.03
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C=C1F	REAL300000373585	1	39	-2.0	-106.61	350.11	5.20	-101.41
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000373586	1	38	-2.0	-105.66	345.77	5.87	-99.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373587	0	30	-3.0	-160.69	312.11	5.32	-155.37
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000373588	1	29	-2.0	-98.07	310.76	5.88	-92.19
N#CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000373589	1	29	-2.0	-98.83	310.77	5.88	-92.95
CC1=CC(C)=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000373590	0	37	-2.0	-121.31	336.36	6.99	-114.32
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000373590	1	36	-3.0	-174.57	334.46	6.96	-167.61
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1F	REAL300000373591	1	32	-2.0	-112.10	312.90	5.44	-106.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C2=CC=CN=C12	REAL300000373592	1	37	-2.0	-109.44	339.84	4.86	-104.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000373593	1	31	-2.0	-104.59	310.02	6.19	-98.40
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1F	REAL300000373594	0	28	-2.0	-108.18	296.20	5.64	-102.54
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1OC(C)C	REAL300000373595	1	41	-2.0	-105.88	363.89	6.67	-99.21
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373596	0	34	-2.0	-102.19	331.01	5.53	-96.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C2=CC=CC=C12	REAL300000373597	1	38	-2.0	-112.36	343.91	6.74	-105.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000373598	1	31	-2.0	-104.48	301.28	5.78	-98.70
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373599	1	31	-2.0	-101.57	306.75	6.36	-95.21
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373600	0	31	-2.0	-111.15	301.45	5.80	-105.35
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373601	1	31	-2.0	-104.71	296.42	5.92	-98.79
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373602	0	33	-2.0	-118.73	312.88	7.42	-111.31
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373603	1	38	-2.0	-116.63	346.34	4.93	-111.70
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C=C1F	REAL300000373604	1	42	-2.0	-104.59	369.19	7.29	-97.30
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373605	1	44	-2.0	-104.22	386.45	7.40	-96.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CS1	REAL300000373606	0	27	-3.0	-167.11	294.65	4.67	-162.44
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)=CS1	REAL300000373606	1	28	-2.0	-100.95	301.32	4.54	-96.41
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000373607	0	31	-2.0	-109.47	316.88	6.98	-102.49
COC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000373608	0	35	-2.0	-106.55	336.78	5.57	-100.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000373608	1	34	-3.0	-177.99	330.29	5.70	-172.29
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Br)C=CS2)C=C1F	REAL300000373609	0	25	-2.0	-105.61	286.85	4.65	-100.96
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1O	REAL300000373610	1	35	-2.0	-104.26	338.15	3.76	-100.50
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373611	1	41	-2.0	-115.96	378.23	4.87	-111.09
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1F	REAL300000373612	0	30	-2.0	-112.22	302.01	6.57	-105.65
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373613	0	40	-2.0	-120.02	357.34	7.22	-112.80
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373613	1	39	-3.0	-175.98	356.90	7.65	-168.33
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=C1F	REAL300000373614	1	38	-2.0	-107.42	348.73	8.49	-98.93
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373615	0	37	-2.0	-115.08	354.57	3.59	-111.49
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373616	1	39	-2.0	-116.24	365.30	4.74	-111.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C)=C1	REAL300000373617	1	35	-2.0	-105.64	319.50	5.15	-100.49
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000373618	1	38	-2.0	-106.52	339.57	5.89	-100.63
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)C=C1F	REAL300000373619	1	39	-2.0	-116.83	362.60	5.05	-111.78
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373620	0	32	-2.0	-110.14	305.72	3.44	-106.70
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CNN=C2)C=C1F	REAL300000373621	0	25	-2.0	-102.36	256.12	1.48	-100.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373622	0	37	-2.0	-120.83	334.80	6.87	-113.96
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373622	1	36	-3.0	-172.49	333.12	7.37	-165.12
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C1F	REAL300000373623	0	31	-2.0	-110.05	314.06	5.99	-104.06
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000373624	0	31	-2.0	-100.85	322.41	4.83	-96.02
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373625	0	38	-2.0	-122.95	349.91	7.51	-115.44
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373625	1	37	-3.0	-177.09	347.25	7.54	-169.55
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000373626	0	36	-2.0	-117.88	334.04	7.69	-110.19
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1F	REAL300000373627	0	32	-2.0	-100.79	312.35	5.45	-95.34
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1F	REAL300000373628	0	28	-2.0	-104.58	289.44	5.43	-99.15
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C(C(=O)[O-])O1	REAL300000373629	0	30	-3.0	-164.22	306.01	4.78	-159.44
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1F	REAL300000373630	0	31	-2.0	-126.36	302.73	4.28	-122.08
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373631	0	34	-2.0	-111.95	334.80	5.78	-106.17
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373632	0	38	-2.0	-115.33	346.06	6.45	-108.88
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C=C1F	REAL300000373633	1	31	-2.0	-98.21	318.86	6.13	-92.08
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373634	1	44	-2.0	-104.27	390.38	7.66	-96.61
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=C1F	REAL300000373635	0	30	-2.0	-118.57	308.58	7.25	-111.32
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1F	REAL300000373636	1	33	-2.0	-117.62	322.81	5.25	-112.37
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C=C1F	REAL300000373637	0	27	-2.0	-98.85	290.88	3.87	-94.98
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1F	REAL300000373638	0	30	-2.0	-121.99	300.55	6.71	-115.28
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373639	0	34	-3.0	-173.72	331.96	4.73	-168.99
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373639	1	35	-2.0	-106.82	334.76	4.70	-102.12
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1F	REAL300000373640	0	35	-2.0	-105.60	335.10	6.19	-99.41
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C=C1F	REAL300000373641	0	38	-2.0	-105.55	360.52	6.65	-98.90
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1F	REAL300000373642	0	27	-2.0	-98.82	275.96	3.35	-95.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(F)(F)F	REAL300000373643	1	34	-2.0	-104.16	328.98	6.60	-97.56
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000373644	1	38	-2.0	-105.23	354.79	5.98	-99.25
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373645	0	31	-2.0	-105.91	322.59	4.74	-101.17
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373646	0	36	-2.0	-104.61	332.98	7.47	-97.14
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1F	REAL300000373647	0	33	-2.0	-108.44	310.70	5.49	-102.95
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C1F	REAL300000373648	0	27	-2.0	-100.02	299.68	4.21	-95.81
CN1C=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373649	0	28	-2.0	-114.31	278.55	4.18	-110.13
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C)=C1	REAL300000373650	1	38	-2.0	-105.34	341.35	6.08	-99.26
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=C12	REAL300000373651	0	36	-2.0	-102.14	340.86	4.81	-97.33
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=C12	REAL300000373652	0	32	-2.0	-98.65	314.29	2.05	-96.60
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)C=C1F	REAL300000373653	1	37	-2.0	-108.87	356.09	7.92	-100.95
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1F	REAL300000373654	0	28	-2.0	-108.96	286.31	5.20	-103.76
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000373655	0	32	-2.0	-109.57	312.52	4.66	-104.91
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1F	REAL300000373656	0	30	-2.0	-112.15	312.35	7.02	-105.13
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373657	0	34	-2.0	-114.68	323.34	6.01	-108.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373657	1	33	-3.0	-163.23	323.71	6.46	-156.77
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1F	REAL300000373658	0	34	-2.0	-112.42	317.67	4.73	-107.69
CC1=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CN1C	REAL300000373659	0	31	-2.0	-115.44	298.07	3.97	-111.47
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1F	REAL300000373660	0	32	-2.0	-109.55	312.55	5.12	-104.43
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373661	1	37	-2.0	-110.23	351.19	6.65	-103.58
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000373662	0	31	-2.0	-104.70	300.62	3.65	-101.05
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373663	0	40	-2.0	-101.92	372.67	7.45	-94.47
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373664	1	35	-2.0	-108.97	329.60	4.79	-104.18
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373665	0	34	-2.0	-114.81	326.16	6.54	-108.27
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C=C1F	REAL300000373666	0	31	-2.0	-105.62	319.10	6.14	-99.48
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C=C1F	REAL300000373667	0	31	-2.0	-102.95	306.82	6.52	-96.43
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C=C1F	REAL300000373668	0	28	-2.0	-105.97	306.63	5.17	-100.80
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1F	REAL300000373669	1	33	-2.0	-105.49	310.53	4.37	-101.12
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1F	REAL300000373670	0	28	-2.0	-104.41	294.07	5.70	-98.71
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=C2)=CO1	REAL300000373671	1	37	-2.0	-109.82	350.94	4.14	-105.68
CC1CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=CC=C2O1	REAL300000373672	1	36	-2.0	-105.89	331.46	5.66	-100.23
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=C1F	REAL300000373673	0	32	-2.0	-101.66	318.84	1.93	-99.73
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373674	0	28	-2.0	-103.02	274.92	2.12	-100.90
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373675	1	32	-2.0	-108.91	304.04	4.37	-104.54
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373676	1	31	-2.0	-107.59	290.02	5.84	-101.75
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000373677	0	34	-2.0	-110.40	336.16	3.30	-107.10
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000373677	1	33	-3.0	-164.45	332.85	2.18	-162.27
CN1C=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=N1	REAL300000373678	0	28	-2.0	-112.33	279.55	2.60	-109.73
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373679	0	28	-2.0	-99.43	274.78	2.71	-96.72
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)CC2CCCO2)C=C1F	REAL300000373680	1	32	-2.0	-110.37	293.89	3.28	-107.09
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)CC2CCCCO2)C=C1F	REAL300000373681	1	35	-2.0	-108.75	311.39	4.34	-104.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000373682	0	31	-2.0	-110.52	301.44	5.81	-104.71
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000373683	1	31	-2.0	-101.11	301.26	5.77	-95.34
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CNC=N2)C=C1F	REAL300000373684	0	25	-2.0	-113.21	256.01	2.46	-110.75
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)O1	REAL300000373685	0	31	-2.0	-101.09	314.08	3.87	-97.22
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1F	REAL300000373686	0	33	-2.0	-122.34	314.45	5.71	-116.63
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C(C(=O)[O-])S1	REAL300000373687	0	30	-3.0	-168.91	311.62	5.54	-163.37
CC1=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C(C(=O)[O-])S1	REAL300000373687	1	31	-2.0	-119.55	315.52	5.50	-114.05
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000373688	1	37	-2.0	-109.02	339.40	6.37	-102.65
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373689	0	32	-2.0	-109.32	317.14	4.94	-104.38
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CN=C1Cl	REAL300000373690	0	30	-2.0	-99.18	305.19	4.30	-94.88
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373691	0	34	-2.0	-114.19	332.71	2.66	-111.53
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C)=C1C	REAL300000373692	1	38	-2.0	-106.48	335.87	5.79	-100.69
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373693	1	37	-2.0	-112.85	351.50	6.52	-106.33
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000373695	1	39	-2.0	-127.14	353.71	6.12	-121.02
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373696	0	40	-2.0	-106.06	352.64	5.72	-100.34
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)SC=C1	REAL300000373697	0	28	-2.0	-107.88	285.27	4.71	-103.17
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000373698	0	37	-2.0	-105.91	333.97	5.02	-100.89
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000373699	0	37	-2.0	-102.86	345.35	6.26	-96.60
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1[N+](=O)[O-]	REAL300000373700	0	33	-2.0	-97.31	321.44	6.37	-90.94
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C1F	REAL300000373701	1	36	-2.0	-118.68	334.12	3.53	-115.15
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373702	1	32	-2.0	-105.07	310.80	6.25	-98.82
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000373703	1	35	-2.0	-113.63	335.46	4.08	-109.55
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000373704	0	33	-2.0	-105.99	324.22	6.33	-99.66
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373705	1	40	-2.0	-107.57	326.69	7.76	-99.81
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1C	REAL300000373706	1	38	-2.0	-123.06	349.14	4.87	-118.19
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373707	0	32	-2.0	-108.73	312.21	5.54	-103.19
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373708	1	32	-2.0	-101.14	310.78	6.24	-94.90
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373709	1	40	-2.0	-106.87	336.41	8.53	-98.34
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C=C1F	REAL300000373710	1	37	-2.0	-113.78	343.23	5.14	-108.64
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000373711	0	29	-2.0	-103.22	300.83	5.54	-97.68
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=C2O1	REAL300000373712	0	33	-2.0	-104.99	318.18	2.74	-102.25
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000373713	0	34	-2.0	-104.48	319.30	4.17	-100.31
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373714	0	33	-2.0	-110.48	312.37	1.56	-108.92
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1F	REAL300000373715	1	33	-2.0	-107.59	315.51	5.47	-102.12
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000373716	0	34	-2.0	-110.86	333.89	3.84	-107.02
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CN1	REAL300000373717	0	34	-2.0	-113.10	318.50	3.51	-109.59
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C([N+](=O)[O-])=C1	REAL300000373718	0	31	-2.0	-109.74	316.37	6.88	-102.86
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=NN1C1=CC=CC=N1	REAL300000373720	0	37	-2.0	-109.40	346.74	6.46	-102.94
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373721	1	39	-2.0	-103.22	357.14	4.70	-98.52
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1F	REAL300000373722	0	28	-2.0	-93.67	293.54	5.26	-88.41
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373723	1	39	-2.0	-104.95	357.00	6.90	-98.05
CC(C)OCCS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373724	1	34	-2.0	-102.05	313.55	3.58	-98.47
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CN1C	REAL300000373725	0	35	-2.0	-110.04	335.71	5.17	-104.87
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373726	1	43	-2.0	-106.46	364.97	7.86	-98.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(Cl)=C1	REAL300000373727	0	30	-3.0	-156.61	316.05	6.20	-150.41
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C(Cl)=C1	REAL300000373727	1	31	-2.0	-102.59	318.73	6.17	-96.42
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000373728	0	31	-2.0	-107.74	314.27	5.54	-102.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000373728	1	30	-3.0	-157.49	307.54	5.67	-151.82
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373729	1	36	-2.0	-116.26	341.02	4.48	-111.78
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C=C1F	REAL300000373730	0	35	-2.0	-108.67	339.50	6.36	-102.31
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373731	1	38	-2.0	-114.85	342.16	5.32	-109.53
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC(C)=C1F	REAL300000373732	1	34	-2.0	-101.63	321.58	6.41	-95.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000373733	0	27	-3.0	-159.46	295.26	4.76	-154.70
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373734	0	37	-2.0	-113.59	339.11	6.06	-107.53
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373735	0	31	-2.0	-114.81	316.15	5.57	-109.24
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373735	1	30	-3.0	-162.35	309.42	5.70	-156.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1F	REAL300000373736	0	33	-3.0	-170.22	328.75	6.33	-163.89
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373737	1	42	-2.0	-104.37	367.34	7.14	-97.23
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CN1	REAL300000373738	0	32	-2.0	-107.82	317.94	3.42	-104.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000373739	0	30	-3.0	-157.53	308.45	5.71	-151.82
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000373740	0	31	-2.0	-104.52	322.24	5.90	-98.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000373740	1	30	-3.0	-155.85	315.50	6.03	-149.82
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373741	1	31	-2.0	-103.82	295.34	5.89	-97.93
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1C	REAL300000373742	1	37	-2.0	-104.71	345.37	6.25	-98.46
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CS1	REAL300000373743	0	31	-2.0	-106.47	321.82	4.76	-101.71
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000373744	1	34	-2.0	-100.68	333.87	5.75	-94.93
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000373745	0	30	-2.0	-103.85	299.76	3.64	-100.21
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373746	1	32	-2.0	-112.99	316.79	6.25	-106.74
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373747	0	36	-2.0	-96.70	332.89	7.41	-89.29
CC(=O)NC1=CC(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1[O-]	REAL300000373748	1	36	-2.0	-102.90	343.79	1.85	-101.05
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373749	1	34	-2.0	-104.16	329.09	6.87	-97.29
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373750	1	34	-2.0	-108.07	317.43	6.50	-101.57
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373751	1	31	-2.0	-104.05	302.37	5.81	-98.24
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373752	0	34	-2.0	-101.91	332.43	4.53	-97.38
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=C1F	REAL300000373753	1	34	-2.0	-104.35	325.92	4.14	-100.21
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373754	1	40	-2.0	-110.99	362.43	7.06	-103.93
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=CC=C2O1	REAL300000373755	1	39	-2.0	-105.78	352.00	6.33	-99.45
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C(F)C=C1F	REAL300000373756	0	31	-2.0	-103.22	306.73	5.83	-97.39
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C=C1F	REAL300000373757	0	34	-2.0	-114.79	326.32	8.15	-106.64
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1F	REAL300000373758	0	34	-2.0	-114.92	315.59	7.38	-107.54
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1F	REAL300000373759	0	30	-2.0	-104.46	306.53	4.55	-99.91
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373760	0	31	-3.0	-172.06	312.71	3.35	-168.71
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373760	1	31	-3.0	-174.78	311.85	4.23	-170.55
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1F	REAL300000373761	1	38	-2.0	-110.80	329.83	7.70	-103.10
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373762	0	34	-2.0	-109.80	331.67	6.29	-103.51
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373762	1	33	-3.0	-163.77	325.18	6.42	-157.35
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)O1	REAL300000373763	0	34	-2.0	-101.19	335.94	4.80	-96.39
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1F	REAL300000373764	0	30	-2.0	-97.33	309.17	5.81	-91.52
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373765	0	33	-2.0	-117.02	330.37	6.12	-110.90
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000373766	1	40	-2.0	-106.35	365.26	6.61	-99.74
COC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)SC=C1	REAL300000373767	0	29	-2.0	-114.78	296.71	3.37	-111.41
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)OC2=CC=C(F)C=C12	REAL300000373768	0	34	-2.0	-104.04	327.25	6.37	-97.67
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1F	REAL300000373769	0	31	-2.0	-108.12	304.30	5.46	-102.66
CC1=NC2=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=CC=C2C=C1	REAL300000373770	0	36	-2.0	-123.98	336.05	6.31	-117.67
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000373771	1	39	-2.0	-103.58	357.86	4.58	-99.00
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C=C1F	REAL300000373772	0	34	-2.0	-107.05	329.95	7.82	-99.23
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1F	REAL300000373773	0	33	-2.0	-105.05	328.55	6.45	-98.60
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373774	0	30	-2.0	-111.59	307.78	3.82	-107.77
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373775	0	28	-2.0	-98.58	290.52	3.99	-94.59
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)N=C1Cl	REAL300000373776	0	28	-2.0	-109.75	294.72	3.91	-105.84
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373777	0	36	-2.0	-109.54	333.52	3.68	-105.86
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1F	REAL300000373778	0	29	-2.0	-111.40	290.37	3.81	-107.59
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000373779	0	36	-2.0	-119.50	324.83	7.90	-111.60
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373780	0	29	-2.0	-99.14	296.76	2.91	-96.23
CC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000373781	0	27	-2.0	-103.17	283.06	2.90	-100.27
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373782	1	33	-2.0	-99.06	322.75	6.54	-92.52
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373783	0	34	-2.0	-102.88	312.47	5.85	-97.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373783	1	33	-3.0	-169.77	316.84	6.38	-163.39
COCCOCCS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373784	1	35	-2.0	-104.31	326.91	2.10	-102.21
CC1=CC(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1F	REAL300000373785	0	34	-2.0	-103.10	334.56	6.15	-96.95
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1F	REAL300000373785	1	33	-3.0	-170.35	327.84	6.28	-164.07
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373786	0	34	-2.0	-110.25	321.23	6.39	-103.86
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373786	1	33	-3.0	-158.80	318.41	6.41	-152.39
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373787	0	34	-2.0	-112.64	333.50	6.20	-106.44
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000373788	0	31	-2.0	-106.15	306.73	5.84	-100.31
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1[N+](=O)[O-]	REAL300000373789	0	34	-2.0	-97.38	330.08	5.82	-91.56
CC1=CC(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1C	REAL300000373790	0	37	-2.0	-125.96	343.20	6.82	-119.14
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1C	REAL300000373790	1	36	-3.0	-175.07	335.88	6.70	-168.37
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C=C1F	REAL300000373791	0	34	-2.0	-116.03	332.27	7.90	-108.13
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=C1F	REAL300000373792	0	31	-2.0	-103.83	319.87	6.58	-97.25
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1CC	REAL300000373793	1	40	-2.0	-108.35	351.61	7.64	-100.71
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373794	0	30	-3.0	-160.24	314.75	5.76	-154.48
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC([N+](=O)[O-])=C1F	REAL300000373795	0	33	-2.0	-98.22	327.58	6.40	-91.82
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C1F	REAL300000373796	0	27	-2.0	-105.14	293.54	4.52	-100.62
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373797	0	34	-2.0	-113.33	319.98	5.46	-107.87
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000373798	0	33	-2.0	-99.41	325.28	3.90	-95.51
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=C1F	REAL300000373799	0	27	-2.0	-97.60	299.97	4.25	-93.35
CC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000373800	0	37	-2.0	-106.45	338.84	7.03	-99.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000373800	1	36	-3.0	-173.27	336.39	7.05	-166.22
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000373801	0	33	-3.0	-170.15	324.47	6.23	-163.92
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373802	0	33	-3.0	-176.86	328.04	6.32	-170.54
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373803	1	36	-2.0	-116.78	337.63	6.34	-110.44
COCCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000373804	0	35	-2.0	-103.28	334.29	2.69	-100.59
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C([N+](=O)[O-])=N1	REAL300000373805	0	33	-2.0	-111.97	324.86	5.92	-106.05
CCC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000373806	0	37	-2.0	-122.32	343.43	6.70	-115.62
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000373806	1	36	-3.0	-174.13	336.97	6.82	-167.31
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=C1F	REAL300000373807	0	39	-2.0	-104.65	351.69	3.62	-101.03
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373810	0	34	-2.0	-107.25	325.37	5.57	-101.68
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373810	1	33	-3.0	-157.78	323.47	5.56	-152.22
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000373811	0	37	-2.0	-106.47	347.53	6.72	-99.75
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373812	0	34	-2.0	-113.48	321.86	5.84	-107.64
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1F	REAL300000373813	0	36	-2.0	-103.16	332.58	2.83	-100.33
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C=C1F	REAL300000373814	1	35	-2.0	-108.76	338.89	5.62	-103.14
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1F	REAL300000373815	0	31	-2.0	-111.82	300.36	5.79	-106.03
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000373816	0	34	-2.0	-100.87	323.58	2.70	-98.17
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1F	REAL300000373817	0	35	-2.0	-115.81	320.32	5.12	-110.69
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373818	1	35	-2.0	-106.97	329.61	4.80	-102.17
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373819	0	33	-2.0	-110.96	313.81	2.07	-108.89
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000373820	0	31	-2.0	-109.44	306.40	6.21	-103.23
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C(C)O1	REAL300000373822	0	31	-2.0	-105.17	297.51	4.65	-100.52
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)C=C1F	REAL300000373823	0	34	-2.0	-112.08	320.79	2.74	-109.34
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)C=C1F	REAL300000373824	1	36	-2.0	-106.85	328.24	5.70	-101.15
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373825	0	35	-2.0	-106.06	321.14	5.12	-100.94
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C(C(=O)OC)O1	REAL300000373826	0	37	-2.0	-102.45	351.54	5.49	-96.96
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373827	1	38	-2.0	-105.10	343.80	5.92	-99.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)O1	REAL300000373828	0	28	-2.0	-105.93	279.13	3.90	-102.03
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373829	0	31	-2.0	-106.97	306.76	5.43	-101.54
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1F	REAL300000373830	1	31	-2.0	-104.03	300.59	3.73	-100.30
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C2=NC=CC=C2C=C1	REAL300000373831	0	36	-2.0	-122.30	328.35	6.88	-115.42
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1F	REAL300000373832	0	34	-2.0	-117.16	323.80	7.10	-110.06
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373833	0	34	-2.0	-111.36	326.17	6.54	-104.82
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1F	REAL300000373834	0	30	-2.0	-95.48	307.29	5.77	-89.71
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1F	REAL300000373835	0	28	-2.0	-98.98	297.69	5.66	-93.32
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C(C)O1	REAL300000373836	0	34	-2.0	-102.37	332.37	4.64	-97.73
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1F	REAL300000373837	0	27	-2.0	-98.94	286.31	3.77	-95.17
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)N=C1C	REAL300000373838	0	34	-2.0	-115.28	320.08	4.87	-110.41
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373839	0	31	-2.0	-108.87	309.08	6.30	-102.57
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000373840	0	34	-3.0	-170.99	330.94	5.84	-165.15
CCN1C=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000373840	1	35	-2.0	-119.98	337.71	5.70	-114.28
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373841	0	31	-2.0	-105.18	314.42	3.82	-101.36
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373842	0	40	-2.0	-107.06	352.84	5.65	-101.41
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CN1C	REAL300000373843	0	38	-2.0	-109.60	357.57	6.10	-103.50
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373844	0	36	-2.0	-102.07	336.57	7.13	-94.94
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1F	REAL300000373845	0	28	-2.0	-111.64	290.61	5.88	-105.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(Cl)=N1	REAL300000373846	0	30	-2.0	-106.42	304.43	4.39	-102.03
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373847	0	33	-2.0	-106.47	323.58	5.27	-101.20
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000373848	1	32	-2.0	-103.70	329.75	6.55	-97.15
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000373849	0	30	-2.0	-102.74	304.55	3.65	-99.09
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=C12	REAL300000373850	0	35	-2.0	-97.97	335.78	2.79	-95.18
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000373851	0	30	-2.0	-101.66	312.67	5.40	-96.26
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CN=C1Cl	REAL300000373852	0	31	-2.0	-97.43	315.38	3.02	-94.41
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000373853	1	37	-2.0	-104.79	350.47	6.03	-98.76
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=C1F	REAL300000373854	0	30	-2.0	-97.45	310.04	4.39	-93.06
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373855	0	34	-2.0	-103.98	335.74	5.79	-98.19
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373856	0	43	-2.0	-106.15	372.93	6.52	-99.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C)=C1F	REAL300000373857	1	35	-2.0	-103.59	324.63	5.19	-98.40
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(Cl)=C1	REAL300000373858	0	29	-2.0	-101.38	308.43	6.04	-95.34
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1F	REAL300000373859	0	31	-2.0	-114.92	302.47	5.39	-109.53
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373860	0	33	-2.0	-103.61	324.51	3.92	-99.69
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=C1F	REAL300000373861	0	25	-2.0	-100.70	278.92	3.81	-96.89
CC1=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C(C2=CC=CC=C2)O1	REAL300000373862	0	37	-2.0	-112.75	348.87	4.19	-108.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000373863	1	36	-2.0	-106.01	334.24	7.04	-98.97
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373864	0	38	-2.0	-113.85	338.13	6.83	-107.02
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373866	1	40	-2.0	-110.67	366.62	7.44	-103.23
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373867	0	28	-2.0	-100.59	303.52	5.29	-95.30
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1F	REAL300000373868	1	31	-2.0	-112.55	308.70	6.00	-106.55
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C=C1F	REAL300000373869	0	31	-2.0	-102.30	318.76	6.14	-96.16
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1F	REAL300000373870	0	31	-2.0	-104.45	312.46	3.98	-100.47
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373871	0	32	-2.0	-113.85	310.63	6.14	-107.71
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C=C1F	REAL300000373872	0	31	-2.0	-108.22	319.91	2.29	-105.93
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C=C1F	REAL300000373873	0	36	-2.0	-101.72	343.97	6.37	-95.35
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373874	1	37	-2.0	-110.17	328.55	7.07	-103.10
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C)=CS1	REAL300000373875	0	34	-2.0	-111.72	335.29	5.92	-105.80
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000373876	1	32	-2.0	-100.52	310.27	4.44	-96.08
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CO2)C=C1F	REAL300000373877	0	25	-2.0	-105.10	257.22	3.07	-102.03
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373878	0	27	-2.0	-96.19	268.94	1.50	-94.69
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=CN=C21	REAL300000373879	0	33	-2.0	-102.44	318.90	4.21	-98.23
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1F	REAL300000373880	0	27	-2.0	-99.07	295.71	4.84	-94.23
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373882	1	36	-2.0	-108.63	341.74	3.29	-105.34
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1F	REAL300000373883	0	32	-2.0	-109.42	302.67	4.51	-104.91
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373884	0	29	-2.0	-104.97	308.45	6.03	-98.94
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C1F	REAL300000373885	0	31	-2.0	-105.03	318.49	4.15	-100.88
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373886	1	34	-2.0	-106.95	304.75	6.80	-100.15
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373887	0	36	-2.0	-120.01	328.52	5.58	-114.43
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373889	0	31	-2.0	-111.59	294.14	6.05	-105.54
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C=C1F	REAL300000373890	0	32	-2.0	-119.41	312.94	5.16	-114.25
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373891	0	41	-2.0	-106.01	364.72	6.53	-99.48
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=CC=C12	REAL300000373892	0	36	-2.0	-122.17	332.41	6.26	-115.91
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373893	0	32	-2.0	-110.27	325.80	2.36	-107.91
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1F	REAL300000373894	0	29	-2.0	-113.52	299.31	3.39	-110.13
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373895	0	31	-2.0	-103.86	299.13	2.54	-101.32
COCCOCCOCCS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373896	1	42	-2.0	-106.45	382.39	2.43	-104.02
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1)OCO2	REAL300000373897	1	34	-2.0	-104.49	316.03	4.52	-99.97
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373898	0	34	-2.0	-106.21	324.71	6.29	-99.92
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373899	0	38	-2.0	-107.05	344.41	4.89	-102.16
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373900	0	37	-2.0	-120.14	343.41	7.36	-112.78
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000373901	0	31	-2.0	-110.48	319.48	2.56	-107.92
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000373901	1	30	-3.0	-163.60	316.18	1.43	-162.17
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000373902	1	35	-2.0	-106.93	335.44	4.09	-102.84
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C=C1F	REAL300000373903	1	32	-2.0	-103.10	320.01	4.72	-98.38
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C=C1F	REAL300000373904	0	31	-2.0	-97.40	318.88	6.13	-91.27
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000373905	0	33	-2.0	-109.19	331.33	0.68	-108.51
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373906	1	32	-2.0	-111.10	307.34	6.33	-104.77
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373907	1	32	-2.0	-112.93	316.79	6.24	-106.69
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C1F	REAL300000373908	0	28	-2.0	-101.88	304.40	6.14	-95.74
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373909	1	34	-2.0	-100.71	311.05	6.83	-93.88
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(N)=NO1	REAL300000373910	0	29	-2.0	-97.94	282.07	2.45	-95.49
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373911	0	32	-2.0	-110.28	319.53	5.38	-104.90
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1F	REAL300000373912	0	29	-2.0	-103.02	302.04	3.84	-99.18
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373913	1	35	-2.0	-109.47	319.50	5.15	-104.32
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000373914	1	35	-2.0	-104.71	335.10	5.72	-98.99
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000373916	0	26	-2.0	-98.96	287.04	4.62	-94.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000373917	0	30	-2.0	-104.37	291.14	3.91	-100.46
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1F	REAL300000373918	0	33	-2.0	-106.67	315.73	5.44	-101.23
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000373919	0	34	-2.0	-105.50	334.78	5.81	-99.69
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000373920	0	34	-2.0	-101.92	333.86	5.76	-96.16
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1C#N	REAL300000373921	1	32	-2.0	-100.55	314.52	5.96	-94.59
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1F	REAL300000373922	0	27	-2.0	-94.10	292.27	3.75	-90.35
COC(C)CS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373923	1	31	-2.0	-106.74	290.54	2.82	-103.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000373924	0	32	-2.0	-108.36	309.51	4.43	-103.93
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1[N+](=O)[O-]	REAL300000373925	0	36	-2.0	-118.35	335.33	8.25	-110.10
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C=C1F	REAL300000373926	1	34	-2.0	-107.68	335.52	6.86	-100.82
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)C=C1F	REAL300000373927	1	34	-2.0	-106.27	320.25	5.59	-100.68
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1F	REAL300000373928	1	31	-2.0	-104.42	306.74	5.94	-98.48
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=C1F	REAL300000373929	1	38	-2.0	-111.02	348.75	8.49	-102.53
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)N(C)N=C1	REAL300000373931	0	31	-2.0	-100.17	291.42	3.55	-96.62
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)O1	REAL300000373932	0	26	-2.0	-99.40	278.46	3.62	-95.78
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CSC=C2)C=C1F	REAL300000373933	0	25	-2.0	-103.70	265.65	3.99	-99.71
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=COC=C2)C=C1F	REAL300000373934	0	25	-2.0	-104.19	257.07	2.97	-101.22
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373935	0	39	-2.0	-115.34	357.87	4.58	-110.76
CC1=CC(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000373936	0	34	-2.0	-106.18	325.48	6.05	-100.13
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000373936	1	33	-3.0	-159.76	323.07	6.28	-153.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000373937	0	31	-2.0	-100.99	301.73	1.76	-99.23
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1F	REAL300000373938	0	28	-2.0	-106.36	296.77	5.65	-100.71
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373939	0	37	-2.0	-109.07	352.06	7.85	-101.22
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373940	0	37	-2.0	-108.75	347.89	7.56	-101.19
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1F	REAL300000373941	0	31	-2.0	-108.34	311.05	6.45	-101.89
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373942	1	40	-2.0	-113.24	373.36	7.44	-105.80
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)N(C)N=C1	REAL300000373943	0	37	-2.0	-107.01	345.63	5.07	-101.94
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1C	REAL300000373944	1	40	-2.0	-104.91	367.23	7.18	-97.73
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=C2O1	REAL300000373945	0	39	-2.0	-118.18	352.41	6.29	-111.89
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1F	REAL300000373946	0	31	-2.0	-111.28	301.14	3.71	-107.57
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373947	1	34	-2.0	-100.21	329.09	6.87	-93.34
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373948	1	35	-2.0	-109.02	325.90	5.30	-103.72
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1F	REAL300000373949	0	28	-2.0	-108.12	296.88	5.93	-102.19
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=C2C=C1	REAL300000373950	1	37	-2.0	-109.15	341.84	8.02	-101.13
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1F	REAL300000373951	0	25	-2.0	-106.45	282.52	4.54	-101.91
CC1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373952	0	28	-2.0	-105.40	288.10	4.73	-100.67
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373953	1	41	-2.0	-111.79	371.03	5.43	-106.36
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1F	REAL300000373954	0	25	-2.0	-103.33	272.82	1.88	-101.45
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C=C1F	REAL300000373955	0	33	-2.0	-114.25	329.05	6.14	-108.11
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1F	REAL300000373956	0	27	-2.0	-101.55	281.46	3.19	-98.36
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373957	0	37	-2.0	-101.58	339.08	4.13	-97.45
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000373958	0	37	-2.0	-101.30	343.71	3.63	-97.67
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)C=C1F	REAL300000373960	1	36	-2.0	-105.21	335.08	6.04	-99.17
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1F	REAL300000373961	0	31	-2.0	-102.86	310.72	5.53	-97.33
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373962	0	33	-2.0	-116.09	315.63	4.68	-111.41
CC1=NSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373963	0	27	-2.0	-99.92	283.03	3.37	-96.55
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C=C1F	REAL300000373965	0	32	-2.0	-105.61	323.04	3.77	-101.84
O=C([O-])C1=C(F)C=C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C=C1F	REAL300000373965	1	32	-2.0	-90.24	322.19	4.63	-85.61
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C=C1F	REAL300000373966	0	34	-2.0	-102.32	330.45	6.48	-95.84
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1F	REAL300000373967	1	35	-2.0	-106.60	323.76	7.18	-99.42
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1F	REAL300000373968	0	25	-2.0	-108.71	272.82	4.13	-104.58
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=CC=C2NC1=O	REAL300000373969	1	37	-2.0	-104.13	346.03	4.83	-99.30
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C=C1F	REAL300000373970	0	34	-2.0	-118.84	335.37	3.51	-115.33
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C(F)(F)F)=N1	REAL300000373971	0	31	-2.0	-106.50	313.17	3.92	-102.58
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1F	REAL300000373972	1	37	-2.0	-106.55	339.37	6.68	-99.87
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000373973	0	29	-2.0	-98.25	301.25	5.51	-92.74
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000373974	0	33	-2.0	-99.10	326.89	6.44	-92.66
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373975	0	34	-2.0	-123.05	324.84	6.45	-116.60
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373975	1	33	-3.0	-170.20	322.95	6.46	-163.74
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=C1F	REAL300000373976	0	29	-2.0	-104.82	307.43	4.37	-100.45
COCC1(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)CC1	REAL300000373977	1	32	-2.0	-111.46	296.08	4.09	-107.37
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373978	0	28	-2.0	-129.11	279.89	1.01	-128.10
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C1F	REAL300000373979	0	28	-2.0	-98.78	307.11	5.26	-93.52
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=NC=CN2)C=C1F	REAL300000373980	0	25	-2.0	-107.17	256.16	1.66	-105.51
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1F	REAL300000373981	0	33	-2.0	-111.76	311.53	1.99	-109.77
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000373982	0	31	-2.0	-108.74	307.18	5.51	-103.23
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CN=C1C	REAL300000373983	0	36	-2.0	-99.56	340.77	4.42	-95.14
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373984	0	30	-2.0	-98.61	302.09	4.45	-94.16
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1C(F)(F)F	REAL300000373985	1	34	-2.0	-100.22	328.98	6.59	-93.63
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373986	1	37	-2.0	-113.41	351.50	6.51	-106.90
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=C1F	REAL300000373987	1	30	-2.0	-98.20	314.30	4.95	-93.25
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=NN1C	REAL300000373989	0	31	-2.0	-105.85	295.20	3.31	-102.54
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000373990	1	32	-2.0	-107.22	305.63	6.16	-101.06
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373991	1	41	-2.0	-118.97	366.69	5.91	-113.06
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000373992	0	31	-2.0	-105.42	297.92	3.43	-101.99
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000373993	1	35	-2.0	-104.64	346.35	5.30	-99.34
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1F	REAL300000373994	0	28	-2.0	-104.09	290.18	2.60	-101.49
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C1F	REAL300000373995	0	34	-2.0	-103.58	325.22	4.80	-98.78
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C=C1F	REAL300000373996	0	36	-2.0	-98.29	345.68	3.64	-94.65
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C=C1F	REAL300000373997	1	35	-2.0	-112.10	330.52	4.82	-107.28
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C=C1F	REAL300000373998	0	31	-2.0	-103.89	311.77	2.64	-101.25
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000373999	1	32	-2.0	-101.03	320.07	4.93	-96.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1F	REAL300000374000	0	30	-3.0	-176.33	306.66	5.67	-170.66
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C1F	REAL300000374001	0	25	-2.0	-110.74	275.00	3.02	-107.72
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1F	REAL300000374002	0	30	-2.0	-117.07	305.73	4.50	-112.57
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1F	REAL300000374003	1	33	-2.0	-109.26	310.34	4.91	-104.35
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C1F	REAL300000374004	0	34	-2.0	-113.79	325.06	7.38	-106.41
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C=C1F	REAL300000374005	0	31	-2.0	-110.08	314.71	4.15	-105.93
CCC1=CC(CC)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(CC)=C1	REAL300000374006	1	46	-2.0	-106.33	379.15	9.98	-96.35
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374007	0	31	-2.0	-108.70	301.66	6.57	-102.13
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C=C1F	REAL300000374008	0	32	-2.0	-105.17	318.95	5.19	-99.98
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1F	REAL300000374009	0	33	-2.0	-115.97	310.85	4.91	-111.06
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C2=CC=CC(C)=C2S1	REAL300000374010	0	37	-2.0	-108.67	344.44	8.10	-100.57
CCC(CS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1)OC	REAL300000374011	1	34	-2.0	-106.41	306.87	3.71	-102.70
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374012	1	41	-2.0	-108.25	363.22	6.49	-101.76
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374013	1	40	-2.0	-106.79	343.95	4.95	-101.84
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)CCOCC2CC2)C=C1F	REAL300000374014	1	35	-2.0	-102.03	324.96	4.42	-97.61
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000374015	0	31	-2.0	-113.04	304.45	6.04	-107.00
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C1F	REAL300000374016	0	27	-2.0	-99.89	299.58	4.27	-95.62
CN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1Br	REAL300000374017	0	28	-2.0	-102.22	298.10	3.23	-98.99
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000374018	1	33	-2.0	-106.65	318.39	3.54	-103.11
CS(=O)(=NS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1)C1=CC=CC=C1	REAL300000374019	0	35	-2.0	-125.78	336.72	3.80	-121.98
CC1=C(F)C=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000374020	0	34	-2.0	-97.02	330.81	6.09	-90.93
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000374020	1	33	-3.0	-163.25	324.17	6.20	-157.05
COC(CS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1)C1CC1	REAL300000374021	1	35	-2.0	-106.74	317.35	4.44	-102.30
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374022	0	32	-2.0	-110.46	309.20	4.92	-105.54
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C=C1F	REAL300000374023	1	31	-2.0	-98.17	314.13	4.17	-94.00
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000374024	0	36	-2.0	-105.47	336.96	6.92	-98.55
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374025	0	44	-2.0	-115.20	378.95	7.20	-108.00
COC(CS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1)C1CCOCC1	REAL300000374026	1	42	-2.0	-107.32	357.27	3.50	-103.82
COC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000374027	0	31	-2.0	-98.13	317.79	2.31	-95.82
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374028	0	27	-2.0	-98.23	271.49	3.03	-95.20
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)C=C1F	REAL300000374029	0	32	-2.0	-102.31	324.28	3.22	-99.09
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000374030	1	31	-2.0	-101.91	310.00	6.18	-95.73
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1F	REAL300000374031	1	34	-2.0	-115.40	322.66	6.06	-109.34
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C([N+](=O)[O-])S1	REAL300000374032	0	30	-2.0	-112.83	309.12	6.27	-106.56
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374033	0	33	-2.0	-120.83	315.44	0.96	-119.87
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=C1F	REAL300000374034	1	31	-2.0	-102.49	316.55	3.26	-99.23
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1F	REAL300000374035	0	27	-2.0	-108.76	275.05	3.26	-105.50
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1F	REAL300000374037	0	27	-2.0	-98.03	275.95	3.22	-94.81
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)CCOCC2CCC2)C=C1F	REAL300000374038	1	38	-2.0	-101.98	341.53	4.95	-97.03
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374039	0	35	-2.0	-111.12	342.30	6.82	-104.30
COC(CS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1)C(C)C	REAL300000374040	1	37	-2.0	-106.59	324.42	4.03	-102.56
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1F	REAL300000374041	1	28	-2.0	-98.79	297.14	5.64	-93.15
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C1F	REAL300000374042	0	37	-2.0	-112.64	336.23	5.43	-107.21
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1F	REAL300000374043	0	36	-2.0	-116.02	326.72	6.29	-109.73
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374044	0	38	-2.0	-106.59	347.66	4.06	-102.53
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374047	1	35	-2.0	-116.93	330.47	2.51	-114.42
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(=O)NC1=O	REAL300000374048	0	31	-2.0	-110.22	302.94	1.77	-108.45
CC(C)OC1(CS(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)CCOC1	REAL300000374049	0	42	-2.0	-109.51	354.21	4.03	-105.48
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)N(C)N=C1	REAL300000374050	0	34	-2.0	-106.73	323.77	4.14	-102.59
CCOC(CS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1)C1CC1	REAL300000374051	1	38	-2.0	-107.22	338.00	5.42	-101.80
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374052	1	41	-2.0	-109.40	364.58	6.73	-102.67
COC(CS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1)C1CCCC1	REAL300000374053	1	41	-2.0	-103.80	348.21	5.39	-98.41
COC(CS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1)C1CCCCC1	REAL300000374054	1	44	-2.0	-104.45	364.80	5.93	-98.52
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000374055	0	33	-2.0	-111.14	322.32	7.20	-103.94
CCC1=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CN1CC1CC1	REAL300000374056	0	41	-2.0	-116.07	368.82	6.86	-109.21
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)O1	REAL300000374057	0	34	-2.0	-101.51	331.98	4.45	-97.06
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=C2C1	REAL300000374058	1	39	-2.0	-112.80	357.96	5.55	-107.25
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1F	REAL300000374059	0	31	-2.0	-103.47	314.28	4.59	-98.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C)=C1[N+](=O)[O-]	REAL300000374060	1	36	-2.0	-103.21	338.16	7.41	-95.80
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374061	0	31	-2.0	-94.25	316.14	3.70	-90.55
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1F	REAL300000374062	0	27	-2.0	-102.01	291.91	3.68	-98.33
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=C1F	REAL300000374063	1	38	-2.0	-117.17	340.64	8.48	-108.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(F)=C1F	REAL300000374064	0	31	-2.0	-108.75	306.62	5.85	-102.90
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)OC=C1	REAL300000374065	0	31	-2.0	-114.08	307.92	4.45	-109.63
CCC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C(C)C=C1OC	REAL300000374066	1	41	-2.0	-106.81	361.19	6.63	-100.18
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=N1	REAL300000374067	0	30	-2.0	-117.95	301.61	4.06	-113.89
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C)=N1	REAL300000374068	0	40	-2.0	-105.08	362.45	5.84	-99.24
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374069	0	29	-3.0	-168.36	299.99	3.69	-164.67
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374070	0	32	-2.0	-107.34	307.32	5.22	-102.12
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C(C)C	REAL300000374071	1	44	-2.0	-106.44	384.51	7.32	-99.12
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000374072	1	40	-2.0	-103.95	352.76	7.33	-96.62
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374073	0	29	-2.0	-99.22	301.79	5.53	-93.69
CN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1C(F)(F)F	REAL300000374074	0	31	-2.0	-102.21	307.68	3.70	-98.51
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1F	REAL300000374075	0	30	-2.0	-105.60	297.81	4.13	-101.47
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1F	REAL300000374075	1	30	-2.0	-117.93	297.70	4.27	-113.66
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1F	REAL300000374076	0	32	-2.0	-113.51	308.28	5.04	-108.47
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374077	0	38	-2.0	-102.85	334.50	5.24	-97.61
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C(C)(C)C)=N1	REAL300000374078	0	40	-2.0	-105.20	342.95	5.69	-99.51
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1F	REAL300000374079	0	38	-2.0	-104.27	341.95	5.42	-98.85
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(Br)=N1	REAL300000374080	0	28	-2.0	-105.39	299.78	3.28	-102.11
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2(COCC3=CC=CC=C3)CC2)C=C1F	REAL300000374081	1	42	-2.0	-113.81	375.43	8.01	-105.80
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1F	REAL300000374082	0	29	-2.0	-106.27	290.72	2.83	-103.44
O=C([O-])C1=C(F)C=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1F	REAL300000374082	1	29	-2.0	-91.31	289.96	3.62	-87.69
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000374083	1	38	-2.0	-106.62	351.75	7.86	-98.76
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374084	0	31	-2.0	-120.58	306.82	2.65	-117.93
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374085	0	34	-2.0	-105.65	317.39	4.23	-101.42
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000374086	0	33	-2.0	-106.99	321.84	5.64	-101.35
NC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000374087	0	28	-2.0	-100.30	279.74	2.43	-97.87
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=C1F	REAL300000374088	1	31	-2.0	-102.85	313.75	6.03	-96.82
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1CC	REAL300000374090	1	44	-2.0	-105.50	389.09	7.59	-97.91
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000374091	1	35	-2.0	-110.78	338.29	7.03	-103.75
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374092	1	34	-2.0	-101.40	321.39	7.26	-94.14
COC1=NSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374093	0	28	-2.0	-97.20	293.78	0.87	-96.33
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)O1	REAL300000374094	1	41	-2.0	-110.67	346.59	5.28	-105.39
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=NS2)C=C1F	REAL300000374095	0	24	-2.0	-99.73	261.28	2.77	-96.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374097	0	34	-3.0	-162.76	331.20	5.44	-157.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374097	1	35	-2.0	-107.11	331.71	4.97	-102.14
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C(C(N)=O)O1	REAL300000374098	0	32	-2.0	-106.12	314.04	0.69	-105.43
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374099	1	37	-2.0	-107.66	326.25	7.58	-100.08
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1F	REAL300000374100	0	28	-2.0	-112.90	289.27	5.20	-107.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C(Cl)O1	REAL300000374101	0	27	-3.0	-158.04	303.15	4.62	-153.42
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1F	REAL300000374102	0	33	-2.0	-115.21	310.78	5.59	-109.62
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374103	0	35	-2.0	-108.08	335.95	5.27	-102.81
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1F	REAL300000374104	0	29	-2.0	-109.47	300.34	5.49	-103.98
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374105	0	31	-2.0	-97.67	329.10	4.35	-93.32
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1F	REAL300000374106	0	35	-2.0	-104.59	324.44	4.75	-99.84
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1F	REAL300000374107	0	35	-2.0	-101.33	321.84	4.97	-96.36
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1F	REAL300000374108	0	38	-2.0	-101.45	343.94	5.67	-95.78
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=NN2C1	REAL300000374109	0	39	-2.0	-111.76	349.58	3.09	-108.67
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C=C1F	REAL300000374110	0	34	-2.0	-105.47	341.38	5.99	-99.48
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C1F	REAL300000374111	1	34	-2.0	-105.12	325.26	2.31	-102.81
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C1F	REAL300000374112	0	25	-2.0	-104.59	276.30	3.76	-100.83
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000374113	1	32	-2.0	-97.28	320.42	4.62	-92.66
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1F	REAL300000374114	0	35	-2.0	-106.01	317.47	5.14	-100.87
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000374115	0	32	-2.0	-104.52	315.72	4.51	-100.01
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000374116	1	44	-2.0	-109.09	378.09	7.12	-101.97
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374117	0	38	-2.0	-111.92	348.99	6.47	-105.45
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374118	0	31	-2.0	-103.94	299.27	5.75	-98.19
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=C2O1	REAL300000374119	0	36	-2.0	-117.09	331.84	5.66	-111.43
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000374120	0	36	-2.0	-103.51	343.21	4.74	-98.77
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=C2)CC1	REAL300000374121	1	36	-2.0	-109.30	342.77	7.28	-102.02
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374122	0	32	-2.0	-109.14	311.02	5.74	-103.40
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1F	REAL300000374123	0	25	-2.0	-104.92	279.97	4.51	-100.41
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374124	0	28	-2.0	-96.76	297.86	3.12	-93.64
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C1F	REAL300000374125	0	30	-2.0	-98.03	308.44	4.24	-93.79
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374126	0	33	-2.0	-120.04	315.22	4.68	-115.36
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1F	REAL300000374127	0	29	-2.0	-97.00	289.42	3.86	-93.14
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1F	REAL300000374128	0	31	-2.0	-108.18	313.39	6.51	-101.67
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C1F	REAL300000374129	0	31	-2.0	-119.99	319.45	4.78	-115.21
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374130	0	35	-2.0	-100.40	326.48	4.80	-95.60
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C)=C1F	REAL300000374131	1	37	-2.0	-104.59	330.44	7.44	-97.15
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1OC	REAL300000374132	0	36	-2.0	-111.82	330.31	5.00	-106.82
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C=C1F	REAL300000374133	1	37	-2.0	-112.34	342.85	2.30	-110.04
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1F	REAL300000374134	0	31	-2.0	-108.54	304.31	5.37	-103.17
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1OC	REAL300000374135	0	36	-2.0	-114.08	334.02	5.40	-108.68
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C2CCCC2)=N1	REAL300000374136	0	41	-2.0	-108.34	363.37	5.98	-102.36
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C2CC2)=N1	REAL300000374137	0	35	-2.0	-107.69	329.80	5.01	-102.68
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C=C1F	REAL300000374138	1	32	-2.0	-106.52	313.79	4.65	-101.87
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1F	REAL300000374139	0	31	-2.0	-113.61	303.97	4.27	-109.34
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C=CC=C21	REAL300000374140	0	33	-2.0	-123.39	319.08	3.48	-119.91
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=C21	REAL300000374141	0	35	-2.0	-108.44	315.48	6.98	-101.46
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CN=C1N	REAL300000374142	1	32	-2.0	-106.43	302.56	2.79	-103.64
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374143	0	28	-2.0	-104.34	291.83	0.95	-103.39
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)N=CN1	REAL300000374144	0	28	-2.0	-113.72	273.65	3.18	-110.54
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1F	REAL300000374146	0	31	-2.0	-105.25	308.26	5.45	-99.80
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C2CCC2)=N1	REAL300000374147	0	38	-2.0	-107.82	346.06	5.48	-102.34
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374148	1	46	-2.0	-111.23	388.77	9.00	-102.23
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1F	REAL300000374149	0	25	-2.0	-104.39	280.37	4.61	-99.78
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1F	REAL300000374150	0	38	-2.0	-105.03	348.51	5.72	-99.31
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1F	REAL300000374151	0	32	-2.0	-111.02	312.67	6.18	-104.84
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000374152	1	41	-2.0	-116.04	364.34	3.48	-112.56
COC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C2=NC=CC=C2C=C1	REAL300000374153	0	37	-2.0	-130.69	339.99	6.28	-124.41
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374154	1	37	-2.0	-108.20	338.92	7.28	-100.92
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374155	0	34	-2.0	-100.24	332.16	3.34	-96.90
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374156	0	35	-2.0	-103.67	319.21	4.66	-99.01
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374157	1	34	-2.0	-106.35	304.19	6.70	-99.65
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374158	0	37	-2.0	-99.68	321.57	4.97	-94.71
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000374159	0	37	-2.0	-105.24	339.03	4.79	-100.45
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1F	REAL300000374160	0	35	-2.0	-105.23	323.11	4.17	-101.06
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=CN=C1C(F)(F)F	REAL300000374161	0	33	-2.0	-97.68	325.46	4.89	-92.79
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000374162	0	39	-2.0	-104.13	348.81	5.90	-98.23
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C=C1F	REAL300000374163	0	30	-2.0	-92.61	313.57	5.82	-86.79
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C=C1F	REAL300000374164	0	31	-2.0	-98.29	319.68	6.14	-92.15
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1F	REAL300000374165	1	31	-2.0	-106.85	302.53	5.89	-100.96
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C1F	REAL300000374166	0	28	-2.0	-106.00	296.10	5.45	-100.55
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C1F	REAL300000374167	0	28	-2.0	-99.40	306.27	5.19	-94.21
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374168	0	31	-2.0	-99.98	296.71	3.30	-96.68
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000374170	1	34	-2.0	-108.11	307.03	6.39	-101.72
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1F	REAL300000374171	0	31	-2.0	-107.64	296.46	6.24	-101.40
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374172	1	39	-2.0	-116.39	359.14	7.11	-109.28
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000374174	1	38	-2.0	-110.46	354.78	6.76	-103.70
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000374175	1	37	-2.0	-107.44	352.95	6.72	-100.72
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000374176	0	29	-2.0	-107.23	307.16	5.92	-101.31
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1F	REAL300000374177	0	28	-2.0	-107.10	294.55	5.31	-101.79
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1F	REAL300000374178	1	35	-2.0	-108.07	323.75	7.18	-100.89
COC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=CS1	REAL300000374179	0	29	-2.0	-110.46	296.80	3.52	-106.94
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C=C1F	REAL300000374180	0	31	-2.0	-105.72	306.80	6.53	-99.19
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374181	0	34	-2.0	-102.25	340.71	5.43	-96.82
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1F	REAL300000374182	0	35	-2.0	-109.33	329.25	7.24	-102.09
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1F	REAL300000374183	0	38	-2.0	-101.62	339.29	5.69	-95.93
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374184	0	37	-2.0	-101.04	334.49	4.98	-96.06
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000374185	1	37	-2.0	-113.10	345.78	2.59	-110.51
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374186	0	31	-2.0	-112.41	328.47	1.57	-110.84
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)C2=N1	REAL300000374187	0	33	-2.0	-115.86	318.14	3.44	-112.42
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)O1	REAL300000374188	0	31	-2.0	-105.79	300.62	4.68	-101.11
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1F	REAL300000374189	0	28	-2.0	-99.54	298.39	4.30	-95.24
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374190	0	32	-2.0	-103.63	315.46	5.00	-98.63
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374191	1	34	-2.0	-106.57	327.76	6.60	-99.97
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1F	REAL300000374192	1	32	-2.0	-106.41	313.80	4.65	-101.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)S1	REAL300000374194	0	29	-2.0	-103.69	298.33	3.52	-100.17
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C2=NC=CC=C12	REAL300000374195	0	39	-2.0	-122.64	346.15	7.41	-115.23
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1F	REAL300000374197	0	31	-2.0	-102.64	307.21	3.77	-98.87
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374198	1	38	-2.0	-109.19	351.46	5.76	-103.43
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374199	0	38	-2.0	-102.06	354.21	6.27	-95.79
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1F	REAL300000374200	0	41	-2.0	-104.13	360.93	6.03	-98.10
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1F	REAL300000374201	0	31	-2.0	-109.42	296.17	5.99	-103.43
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374202	1	40	-2.0	-111.82	361.23	7.68	-104.14
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1F	REAL300000374203	0	31	-2.0	-108.95	300.04	5.48	-103.47
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1F	REAL300000374204	1	30	-2.0	-108.06	305.49	4.47	-103.59
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=N1	REAL300000374205	0	30	-2.0	-104.06	295.25	1.95	-102.11
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000374206	0	31	-2.0	-102.61	316.20	4.01	-98.60
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1F	REAL300000374207	0	25	-2.0	-100.47	274.29	3.69	-96.78
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C=C1F	REAL300000374208	0	33	-2.0	-115.41	327.74	6.04	-109.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C2=CC=CC=C12	REAL300000374209	1	37	-2.0	-115.46	333.30	7.92	-107.54
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)C=C1F	REAL300000374210	1	35	-2.0	-107.14	332.46	5.44	-101.70
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C1F	REAL300000374211	0	28	-2.0	-101.66	302.05	5.68	-95.98
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)O1	REAL300000374212	0	34	-2.0	-115.62	338.16	1.37	-114.25
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C2=CC=CC=C2)=N1	REAL300000374213	0	38	-2.0	-110.00	351.99	6.49	-103.51
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1F	REAL300000374215	0	32	-2.0	-106.55	318.36	6.39	-100.16
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000374216	0	31	-2.0	-98.93	320.00	5.88	-93.05
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C=C1F	REAL300000374218	0	24	-2.0	-96.92	278.47	3.50	-93.42
CC1=COC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374219	0	28	-2.0	-105.23	279.12	3.75	-101.48
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000374220	1	38	-2.0	-106.90	361.21	6.97	-99.93
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=NN1	REAL300000374221	0	34	-2.0	-104.69	334.90	2.87	-101.82
COC1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1OC	REAL300000374222	0	33	-2.0	-107.22	324.80	3.61	-103.61
O=C([O-])C1=C(F)C=C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=C1F	REAL300000374223	0	29	-2.0	-95.03	313.83	4.08	-90.95
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=C1F	REAL300000374223	1	28	-3.0	-156.99	311.12	4.12	-152.87
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1F	REAL300000374224	0	27	-2.0	-93.92	292.16	3.70	-90.22
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C=C1F	REAL300000374225	1	32	-2.0	-105.68	320.03	4.72	-100.96
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374226	0	34	-2.0	-104.43	318.96	5.01	-99.42
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000374227	1	35	-2.0	-112.86	328.26	6.84	-106.02
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C=C1F	REAL300000374228	0	31	-2.0	-108.93	305.19	6.47	-102.46
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=C1F	REAL300000374229	0	25	-2.0	-96.46	299.60	5.17	-91.29
CN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000374230	0	28	-2.0	-102.46	294.39	3.14	-99.32
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C=C1F	REAL300000374231	0	33	-2.0	-104.82	327.21	5.75	-99.07
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374232	0	34	-2.0	-118.86	312.39	6.90	-111.96
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)OC=C1	REAL300000374233	0	26	-2.0	-107.07	277.22	3.54	-103.53
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374234	0	30	-2.0	-99.01	302.28	4.46	-94.55
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374235	1	39	-2.0	-109.76	358.22	6.70	-103.06
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C2CC2)=N1	REAL300000374236	0	38	-2.0	-107.83	351.33	5.88	-101.95
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C2=NSN=C2C=C1	REAL300000374237	0	32	-2.0	-114.48	312.56	4.44	-110.04
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C=C1F	REAL300000374238	1	34	-2.0	-104.97	337.18	7.86	-97.11
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(=O)NC(=O)N1	REAL300000374239	0	31	-2.0	-109.45	297.62	0.79	-108.66
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374240	0	41	-2.0	-102.38	361.30	6.29	-96.09
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1F	REAL300000374241	0	25	-2.0	-103.60	273.31	3.58	-100.02
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1F	REAL300000374242	0	25	-2.0	-100.97	283.35	4.58	-96.39
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C=C1F	REAL300000374243	0	34	-2.0	-110.51	333.38	7.92	-102.59
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374244	0	36	-2.0	-101.37	326.81	2.82	-98.55
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1F	REAL300000374245	1	35	-2.0	-111.06	318.09	7.24	-103.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C)=N1	REAL300000374249	0	34	-2.0	-101.28	316.97	2.54	-98.74
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374250	0	34	-2.0	-110.51	321.95	2.89	-107.62
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374251	0	31	-2.0	-104.91	317.25	2.75	-102.16
COC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000374252	0	34	-2.0	-101.65	321.85	2.48	-99.17
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000374253	0	37	-2.0	-104.83	341.95	5.18	-99.65
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374254	0	37	-2.0	-105.49	338.13	4.81	-100.68
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C1F	REAL300000374255	0	27	-2.0	-103.59	301.88	3.06	-100.53
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=CO1	REAL300000374256	0	26	-2.0	-106.66	277.50	3.48	-103.18
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)SC=C1	REAL300000374257	0	26	-2.0	-109.98	286.59	4.43	-105.55
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374258	0	34	-2.0	-100.51	316.24	4.34	-96.17
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000374259	0	36	-2.0	-99.63	341.31	4.45	-95.18
O=C([O-])C1=C(F)C=C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1F	REAL300000374260	0	38	-2.0	-114.45	355.78	7.40	-107.05
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1F	REAL300000374260	1	37	-3.0	-165.20	346.98	7.46	-157.74
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374261	0	31	-2.0	-113.21	316.38	6.88	-106.33
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1F	REAL300000374262	0	35	-2.0	-100.66	326.74	5.20	-95.46
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1F	REAL300000374263	0	35	-2.0	-105.75	326.44	6.30	-99.45
COC1=NOC(CS(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374264	0	31	-2.0	-104.23	305.60	1.40	-102.83
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=NN1C(C)C	REAL300000374265	0	37	-2.0	-106.24	337.61	4.88	-101.36
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=C1F	REAL300000374266	1	35	-2.0	-107.01	334.39	7.27	-99.74
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1F	REAL300000374267	0	30	-2.0	-106.68	303.78	4.19	-102.49
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C=C1F	REAL300000374269	1	35	-2.0	-107.98	336.06	7.31	-100.67
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C=C1F	REAL300000374270	0	32	-2.0	-108.63	324.99	5.55	-103.08
O=C([O-])C1=C(F)C=C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1F	REAL300000374271	0	38	-2.0	-103.43	355.10	7.41	-96.02
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1F	REAL300000374271	1	37	-3.0	-169.77	347.08	7.50	-162.27
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1F	REAL300000374272	1	29	-2.0	-107.43	285.56	2.22	-105.21
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374273	1	37	-2.0	-111.14	339.37	6.76	-104.38
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C1F	REAL300000374274	0	31	-2.0	-109.53	312.21	6.00	-103.53
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CSN=C2)C=C1F	REAL300000374275	0	24	-2.0	-98.23	260.19	2.67	-95.56
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1F	REAL300000374276	0	32	-2.0	-116.62	322.59	4.33	-112.29
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=C1F	REAL300000374277	1	35	-2.0	-113.22	330.36	7.37	-105.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(Cl)=C1Cl	REAL300000374278	0	31	-2.0	-106.31	321.59	6.68	-99.63
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C=C1F	REAL300000374279	0	35	-2.0	-105.94	342.48	6.14	-99.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C(C(F)F)=C1	REAL300000374280	0	35	-2.0	-113.24	324.99	5.67	-107.57
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374281	0	33	-2.0	-114.40	315.33	4.66	-109.74
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C(F)=C1	REAL300000374282	0	34	-2.0	-122.73	327.04	6.60	-116.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C2=NC=CC=C12	REAL300000374283	0	36	-2.0	-122.69	332.25	6.24	-116.45
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C(C(=O)[O-])O1	REAL300000374284	0	33	-3.0	-164.59	325.12	5.64	-158.95
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374285	0	41	-2.0	-116.07	364.00	7.07	-109.00
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)C=C(Cl)S1	REAL300000374286	0	28	-2.0	-101.00	299.79	5.46	-95.54
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=CN=CS2)C=C1F	REAL300000374287	0	24	-2.0	-102.11	261.12	2.20	-99.91
O=C([O-])C1=C(F)C=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1F	REAL300000374288	0	35	-2.0	-106.99	320.26	4.40	-102.59
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374289	0	31	-2.0	-111.15	301.45	5.80	-105.35
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2)=C1	REAL300000374294	0	41	-2.0	-103.73	365.30	6.20	-97.53
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2)=C1	REAL300000374295	0	38	-2.0	-100.62	353.01	5.16	-95.46
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2)C=C1C(=O)[O-]	REAL300000374297	1	42	-2.0	-104.77	366.47	5.49	-99.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2)=C1	REAL300000374298	0	41	-2.0	-96.67	368.96	5.82	-90.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2)=CS1	REAL300000374299	1	38	-2.0	-101.96	351.47	5.18	-96.78
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000374300	0	41	-2.0	-100.42	362.83	5.29	-95.13
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2)C=C(C(=O)[O-])S1	REAL300000374301	1	41	-2.0	-103.86	369.52	6.03	-97.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2)S1	REAL300000374303	0	38	-2.0	-95.49	352.10	5.27	-90.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2)C(F)=C1	REAL300000374305	0	41	-2.0	-93.13	365.29	6.22	-86.91
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3CCSCC3)C=C2)=C1	REAL300000374306	0	42	-2.0	-105.11	368.72	4.68	-100.43
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2)=C1	REAL300000374306	1	42	-2.0	-106.17	369.46	3.86	-102.31
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2)C=C1C(=O)[O-]	REAL300000374310	1	45	-2.0	-106.03	387.84	6.37	-99.66
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2)=C1F	REAL300000374312	0	41	-2.0	-110.06	363.44	6.17	-103.89
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2)=C1	REAL300000374313	0	40	-2.0	-103.90	356.05	4.26	-99.64
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCSCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000374314	0	44	-2.0	-100.39	381.95	6.14	-94.25
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000374315	1	40	-2.0	-129.56	358.79	5.88	-123.68
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000374316	1	40	-2.0	-118.87	354.25	5.86	-113.01
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000374317	1	40	-2.0	-133.04	354.25	5.85	-127.19
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000374318	1	43	-2.0	-134.49	370.26	6.39	-128.10
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000374319	0	40	-2.0	-131.75	359.73	5.92	-125.83
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000374320	0	37	-2.0	-126.66	347.43	4.87	-121.79
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000374321	1	43	-2.0	-135.30	369.68	6.64	-128.66
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000374322	0	41	-2.0	-130.89	360.89	5.21	-125.68
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(N3CCOC3=O)=CC=C2C)=C1	REAL300000374323	0	40	-2.0	-122.48	363.36	5.54	-116.94
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000374324	0	37	-2.0	-128.06	345.90	4.89	-123.17
CC1=C(S(=O)(=O)[N-]C2=CC(N3CCOC3=O)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000374325	0	40	-2.0	-126.89	357.25	4.99	-121.90
CC1=C(S(=O)(=O)[N-]C2=CC(N3CCOC3=O)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000374326	0	40	-2.0	-130.81	363.94	5.74	-125.07
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000374327	1	40	-2.0	-117.81	358.77	5.89	-111.92
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000374328	0	37	-2.0	-121.03	346.51	4.98	-116.05
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000374329	1	40	-2.0	-123.16	360.66	5.91	-117.25
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000374330	0	40	-2.0	-118.37	359.71	5.93	-112.44
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000374331	0	41	-2.0	-134.60	363.96	3.56	-131.04
CC1=CC=C(N2CCOC2=O)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000374331	1	41	-2.0	-122.39	358.10	4.42	-117.97
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000374332	1	43	-2.0	-124.03	376.42	6.64	-117.39
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000374333	1	43	-2.0	-127.56	364.28	6.49	-121.07
CCN1C=C(S(=O)(=O)[N-]C2=CC(N3CCOC3=O)=CC=C2C)C=C1C(=O)[O-]	REAL300000374335	0	44	-2.0	-132.29	382.19	6.07	-126.22
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000374336	1	43	-2.0	-119.20	370.25	6.40	-112.80
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000374337	0	40	-2.0	-135.79	357.88	5.88	-129.91
CC1=CC=C(N2CCOC2=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000374338	0	39	-2.0	-131.18	350.46	3.98	-127.20
CCC1=C(S(=O)(=O)[N-]C2=CC(N3CCOC3=O)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000374339	0	43	-2.0	-126.83	376.37	5.84	-120.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2SCC(F)F)C=C1	REAL300000374340	0	35	-2.0	-102.20	345.22	7.27	-94.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2SCC(F)F)=C1	REAL300000374341	0	35	-2.0	-114.89	345.24	7.27	-107.62
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC=C2SCC(F)F)=C1	REAL300000374342	0	32	-2.0	-109.21	338.42	6.29	-102.92
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2SCC(F)F)C=C1C(=O)[O-]	REAL300000374343	0	36	-2.0	-113.24	351.89	6.62	-106.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2SCC(F)F)=CS1	REAL300000374344	0	32	-2.0	-110.51	336.89	6.31	-104.20
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2SCC(F)F)C=C(C(=O)[O-])O1	REAL300000374345	0	35	-2.0	-108.47	348.25	6.41	-102.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2SCC(F)F)S1	REAL300000374346	0	32	-2.0	-104.10	337.49	6.39	-97.71
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC=C2SCC(F)F)=C1	REAL300000374347	0	34	-2.0	-111.72	342.21	5.33	-106.39
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)O1	REAL300000374348	1	36	-2.0	-102.71	343.03	1.70	-101.01
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2)O1	REAL300000374349	1	36	-2.0	-92.99	338.47	1.68	-91.31
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)O1	REAL300000374350	1	36	-2.0	-104.81	338.51	1.67	-103.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=C(C)O2)C=C1	REAL300000374351	0	40	-2.0	-109.83	366.64	1.47	-108.36
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2)O1	REAL300000374352	1	40	-2.0	-92.81	369.95	2.96	-89.85
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2)O1	REAL300000374353	1	39	-2.0	-107.15	358.59	2.31	-104.84
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2)O1	REAL300000374354	0	36	-2.0	-100.51	351.57	2.23	-98.28
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2)O1	REAL300000374355	1	36	-2.0	-100.80	351.00	2.06	-98.74
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2)O1	REAL300000374356	1	42	-2.0	-107.53	370.89	2.98	-104.55
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)O1	REAL300000374357	0	36	-2.0	-101.85	343.97	1.73	-100.12
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2)O1	REAL300000374358	1	42	-2.0	-91.90	382.06	3.26	-88.64
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)O1	REAL300000374359	0	33	-2.0	-99.31	331.68	0.69	-98.62
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2)O1	REAL300000374360	1	39	-2.0	-105.77	353.93	2.46	-103.31
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2)O1	REAL300000374361	1	40	-2.0	-91.47	369.56	1.95	-89.52
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)O1	REAL300000374362	0	37	-2.0	-103.32	345.15	1.01	-102.31
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C=C2)O1	REAL300000374363	1	40	-2.0	-106.53	362.29	0.51	-106.02
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2)O1	REAL300000374364	0	36	-2.0	-95.63	347.62	1.35	-94.28
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=C2)O1	REAL300000374365	1	42	-2.0	-107.18	369.54	3.01	-104.17
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)O1	REAL300000374366	0	33	-2.0	-100.72	330.15	0.71	-100.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=C(C)O3)C=C2)C=C1C(=O)[O-]	REAL300000374367	1	40	-2.0	-110.60	365.79	1.74	-108.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=C(C)O2)C=C1	REAL300000374368	1	42	-2.0	-104.37	368.64	3.40	-100.97
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2)O1	REAL300000374369	1	43	-2.0	-109.61	382.75	3.57	-106.04
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)O1	REAL300000374370	0	36	-2.0	-99.20	341.54	0.81	-98.39
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2)O1	REAL300000374371	0	40	-2.0	-106.06	367.47	0.76	-105.30
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2)O1	REAL300000374372	1	39	-2.0	-96.69	359.21	2.49	-94.20
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2)O1	REAL300000374373	0	36	-2.0	-102.47	347.11	1.57	-100.90
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2)O1	REAL300000374374	0	36	-2.0	-90.68	351.55	2.23	-88.45
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)O1	REAL300000374375	1	36	-2.0	-92.76	343.03	1.71	-91.05
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)O1	REAL300000374376	0	33	-2.0	-94.52	330.76	0.80	-93.72
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)O1	REAL300000374377	0	36	-2.0	-95.94	344.90	1.73	-94.21
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2)O1	REAL300000374378	0	39	-2.0	-103.11	364.27	2.37	-100.74
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)O1	REAL300000374379	0	36	-2.0	-92.20	343.96	1.74	-90.46
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)O1	REAL300000374380	1	36	-2.0	-90.64	351.00	2.07	-88.57
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2)O1	REAL300000374381	1	36	-2.0	-94.45	349.32	1.76	-92.69
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)O1	REAL300000374382	0	37	-2.0	-104.70	348.21	-0.63	-105.33
CC1=NN=C(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)O1	REAL300000374382	1	37	-2.0	-106.20	347.43	0.17	-106.03
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)O1	REAL300000374383	1	39	-2.0	-96.05	360.67	2.45	-93.60
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2)O1	REAL300000374384	1	39	-2.0	-102.34	352.33	2.42	-99.92
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C2)O1	REAL300000374385	1	39	-2.0	-103.82	363.33	2.32	-101.50
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C2)O1	REAL300000374386	1	39	-2.0	-93.37	353.91	2.44	-90.93
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C2)O1	REAL300000374387	1	42	-2.0	-107.52	371.37	2.74	-104.78
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2)O1	REAL300000374388	0	36	-2.0	-93.72	350.25	1.79	-91.93
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=C2)O1	REAL300000374389	1	42	-2.0	-105.58	371.89	3.07	-102.51
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2)O1	REAL300000374390	0	39	-2.0	-102.77	359.98	2.27	-100.50
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2)O1	REAL300000374391	0	39	-2.0	-109.53	363.51	2.35	-107.18
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=C(C)O3)C=C2)C=C1C(=O)[O-]	REAL300000374392	1	42	-2.0	-106.33	372.79	2.86	-103.47
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=C(C)O3)C=C2)C=C1C(=O)[O-]	REAL300000374393	0	40	-2.0	-104.48	366.52	1.89	-102.59
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2)O1	REAL300000374394	1	39	-2.0	-93.09	354.50	2.21	-90.88
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C2)O1	REAL300000374395	1	39	-2.0	-103.52	358.45	2.48	-101.04
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)O1	REAL300000374396	0	36	-2.0	-108.86	342.12	1.69	-107.17
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2)O1	REAL300000374397	1	39	-2.0	-97.64	363.44	2.34	-95.30
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)O1	REAL300000374398	0	35	-2.0	-102.31	334.71	-0.21	-102.52
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=C(C)O2)C=C1	REAL300000374399	0	40	-2.0	-96.82	366.70	1.47	-95.35
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)O1	REAL300000374400	0	33	-2.0	-93.13	338.65	0.64	-92.49
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2)O1	REAL300000374401	1	43	-2.0	-99.21	384.62	3.56	-95.65
CC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2)O1	REAL300000374402	1	43	-2.0	-101.33	383.94	3.55	-97.78
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=C(C)O3)C=C2)C=C(C(=O)[O-])O1	REAL300000374403	0	39	-2.0	-99.05	360.62	1.66	-97.39
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1OCC(F)(F)F	REAL300000374406	0	35	-2.0	-99.05	349.87	5.46	-93.59
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1OCC(F)(F)F	REAL300000374407	1	39	-2.0	-103.05	363.32	5.79	-97.26
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1OCC(F)(F)F	REAL300000374408	1	35	-2.0	-100.46	348.33	5.47	-94.99
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000374409	0	38	-2.0	-98.89	359.69	5.58	-93.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1OCC(F)(F)F	REAL300000374410	0	35	-2.0	-94.10	348.96	5.57	-88.53
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1OCC(F)(F)F	REAL300000374411	0	37	-2.0	-102.34	352.91	4.57	-97.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=CC=C1F	REAL300000374412	1	34	-2.0	-105.43	331.17	6.82	-98.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C1	REAL300000374413	1	34	-2.0	-95.05	326.64	6.80	-88.25
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000374414	1	34	-2.0	-107.07	326.67	6.78	-100.29
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(F)(F)F)C=C1	REAL300000374415	0	38	-2.0	-112.78	354.79	6.59	-106.19
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C1	REAL300000374416	1	38	-2.0	-94.66	358.10	8.09	-86.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000374417	1	37	-2.0	-110.59	346.74	7.44	-103.15
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000374418	0	34	-2.0	-102.93	339.74	7.37	-95.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=CC=C1Cl	REAL300000374419	1	34	-2.0	-103.82	339.14	7.18	-96.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1C	REAL300000374420	1	40	-2.0	-111.05	359.03	8.10	-102.95
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000374421	0	34	-2.0	-104.60	332.15	6.86	-97.74
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C1	REAL300000374422	1	40	-2.0	-93.87	370.21	8.37	-85.50
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000374423	0	31	-2.0	-102.22	319.82	5.80	-96.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(F)(F)F)C=C1	REAL300000374424	1	37	-2.0	-108.12	342.09	7.57	-100.55
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000374426	0	35	-2.0	-105.53	333.30	6.14	-99.39
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000374428	0	34	-2.0	-97.78	335.77	6.48	-91.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=CS1	REAL300000374430	0	31	-2.0	-102.87	318.28	5.82	-97.05
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(F)(F)F)C=C1	REAL300000374432	1	40	-2.0	-106.58	356.82	8.51	-98.07
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000374433	1	41	-2.0	-112.39	370.92	8.70	-103.69
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000374434	0	34	-2.0	-101.28	329.69	5.93	-95.35
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000374435	0	38	-2.0	-108.18	355.60	5.88	-102.30
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(F)(F)F)C=C1	REAL300000374436	1	37	-2.0	-99.48	347.35	7.60	-91.88
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000374437	1	34	-2.0	-104.64	335.28	6.68	-97.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C(Cl)=C1	REAL300000374438	0	34	-2.0	-92.44	339.68	7.35	-85.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C1F	REAL300000374439	1	34	-2.0	-94.61	331.19	6.83	-87.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)S1	REAL300000374440	0	31	-2.0	-96.90	318.91	5.91	-90.99
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000374441	1	34	-2.0	-98.72	333.04	6.86	-91.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1F	REAL300000374442	0	37	-2.0	-106.63	352.39	7.49	-99.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C(F)=C1	REAL300000374443	0	34	-2.0	-94.27	332.09	6.86	-87.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C1Cl	REAL300000374444	1	34	-2.0	-92.68	339.15	7.19	-85.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=CC(F)=C1F	REAL300000374445	1	34	-2.0	-96.15	337.45	6.88	-89.27
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000374446	0	35	-2.0	-107.23	336.36	4.50	-102.73
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000374446	1	35	-2.0	-103.85	335.57	5.31	-98.54
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C1	REAL300000374447	1	37	-2.0	-98.67	348.82	7.56	-91.11
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(F)(F)F)C=C1	REAL300000374448	1	37	-2.0	-105.02	340.49	7.54	-97.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=CC(C(=O)[O-])=C1F	REAL300000374449	1	37	-2.0	-105.88	351.47	7.44	-98.44
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000374452	0	34	-2.0	-96.68	338.39	6.92	-89.76
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000374454	0	37	-2.0	-105.75	348.15	7.40	-98.35
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000374455	0	37	-2.0	-111.81	351.64	7.48	-104.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000374456	1	40	-2.0	-108.94	360.59	7.97	-100.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000374457	0	38	-2.0	-106.84	354.67	7.01	-99.83
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000374458	1	37	-2.0	-95.17	342.64	7.33	-87.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1F	REAL300000374460	0	34	-2.0	-112.10	330.31	6.83	-105.27
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000374461	1	37	-2.0	-100.59	351.61	7.46	-93.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000374462	0	33	-2.0	-104.98	322.84	4.90	-100.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(F)(F)F)C=C1	REAL300000374463	0	38	-2.0	-99.30	354.85	6.58	-92.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)=C(Cl)O1	REAL300000374464	0	31	-2.0	-95.18	326.80	5.77	-89.41
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(CC(F)(F)F)C=C3)C=C2)CC1	REAL300000374465	1	41	-2.0	-101.45	372.79	8.69	-92.76
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(CC(F)(F)F)C=C3)C=C2C1	REAL300000374466	1	41	-2.0	-104.05	372.08	8.68	-95.37
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000374467	0	37	-2.0	-101.14	348.79	6.78	-94.36
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000374468	1	38	-2.0	-107.61	357.81	7.81	-99.80
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000374470	1	38	-2.0	-109.36	353.27	7.78	-101.58
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000374471	0	42	-2.0	-114.90	381.41	7.57	-107.33
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000374472	1	42	-2.0	-96.63	384.74	9.07	-87.56
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000374474	0	38	-2.0	-104.90	366.34	8.35	-96.55
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000374475	1	38	-2.0	-106.07	365.78	8.17	-97.90
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000374476	1	44	-2.0	-112.20	385.95	9.12	-103.08
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000374477	0	38	-2.0	-106.71	358.74	7.84	-98.87
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000374478	1	44	-2.0	-95.81	396.85	9.36	-86.45
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000374479	0	35	-2.0	-103.62	346.45	6.79	-96.83
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000374480	1	41	-2.0	-109.98	368.70	8.56	-101.42
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000374482	1	39	-2.0	-107.71	359.91	7.12	-100.59
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000374484	0	38	-2.0	-100.27	362.37	7.45	-92.82
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000374486	0	35	-2.0	-104.98	344.92	6.81	-98.17
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000374488	1	47	-2.0	-112.31	407.17	9.78	-102.53
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000374489	1	44	-2.0	-108.26	383.44	9.50	-98.76
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000374490	0	45	-2.0	-114.67	403.70	8.34	-106.33
CCSCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000374491	0	41	-2.0	-108.71	388.39	8.20	-100.51
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000374491	1	40	-3.0	-185.75	381.68	8.34	-177.41
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000374492	1	45	-2.0	-114.31	397.53	9.68	-104.63
CCSCC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000374493	0	38	-2.0	-102.95	356.28	6.91	-96.04
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000374494	0	42	-2.0	-111.32	382.25	6.87	-104.45
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000374496	1	41	-2.0	-100.48	373.98	8.60	-91.88
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000374497	1	42	-2.0	-94.66	390.57	8.12	-86.54
CCSCC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000374499	1	38	-2.0	-106.46	361.87	7.67	-98.79
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000374500	0	38	-2.0	-94.55	366.32	8.34	-86.21
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374501	1	38	-2.0	-96.36	357.79	7.82	-88.54
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000374502	0	35	-2.0	-98.95	345.54	6.91	-92.04
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000374503	1	38	-2.0	-100.12	359.68	7.84	-92.28
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000374504	0	41	-2.0	-108.22	379.02	8.47	-99.75
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000374505	0	38	-2.0	-96.64	358.73	7.85	-88.79
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000374506	1	38	-2.0	-94.56	365.76	8.18	-86.38
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000374507	1	41	-2.0	-102.21	382.71	8.97	-93.24
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000374508	1	38	-2.0	-98.12	364.09	7.87	-90.25
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000374509	1	40	-2.0	-94.24	381.46	8.44	-85.80
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000374510	0	39	-2.0	-108.87	362.98	5.48	-103.39
CCSCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000374510	1	39	-2.0	-105.46	362.07	6.36	-99.10
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000374511	1	41	-2.0	-100.64	375.45	8.55	-92.09
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000374512	1	41	-2.0	-106.49	363.33	8.41	-98.08
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000374513	1	41	-2.0	-108.00	378.12	8.43	-99.57
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000374516	0	40	-2.0	-107.16	379.84	8.87	-98.29
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000374517	0	38	-2.0	-98.42	365.02	7.90	-90.52
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000374519	0	41	-2.0	-109.09	378.58	8.47	-100.62
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000374520	0	41	-2.0	-106.65	385.03	8.91	-97.74
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000374521	0	41	-2.0	-115.56	378.30	8.47	-107.09
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000374522	1	44	-2.0	-112.39	387.55	8.96	-103.43
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000374524	1	41	-2.0	-99.51	379.53	8.95	-90.56
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000374525	1	41	-2.0	-107.99	384.49	8.74	-99.25
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000374526	1	42	-2.0	-109.03	381.29	8.00	-101.03
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000374527	1	41	-2.0	-104.65	387.01	8.85	-95.80
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000374530	0	40	-2.0	-118.00	376.99	9.64	-108.36
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000374531	0	38	-2.0	-114.79	356.93	7.81	-106.98
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000374532	1	41	-2.0	-102.78	378.21	8.46	-94.32
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000374533	0	37	-2.0	-107.25	349.49	5.91	-101.34
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000374534	0	42	-2.0	-101.36	381.46	7.59	-93.77
CCSCC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000374535	0	35	-2.0	-96.91	353.42	6.77	-90.14
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000374536	1	45	-2.0	-103.36	399.39	9.66	-93.70
CCSCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000374537	1	45	-2.0	-107.22	398.73	9.66	-97.56
CCSCC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000374538	0	41	-2.0	-102.71	375.40	7.76	-94.95
CC1COCCN1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000374543	0	44	-2.0	-105.49	377.97	4.58	-100.91
CC1COCCN1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000374544	0	41	-2.0	-102.15	365.67	3.53	-98.62
CC1COCCN1C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000374546	1	45	-2.0	-106.29	379.34	3.89	-102.40
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3C)C=C2)=C1	REAL300000374547	0	44	-2.0	-98.18	381.81	4.21	-93.97
CC1COCCN1C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000374548	1	41	-2.0	-103.60	364.14	3.55	-100.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3C)C=C2)C=C(C(=O)[O-])O1	REAL300000374549	0	44	-2.0	-101.98	375.73	3.67	-98.31
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3C)C=C2)C=C(C(=O)[O-])S1	REAL300000374550	1	44	-2.0	-105.61	381.29	4.42	-101.19
CC1COCCN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000374552	0	41	-2.0	-96.96	364.95	3.65	-93.31
CC1COCCN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000374554	0	44	-2.0	-94.60	377.95	4.59	-90.01
CC1COCCN1C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000374555	0	45	-2.0	-105.60	381.46	3.11	-102.49
CC1COCCN1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000374555	1	45	-2.0	-108.36	382.20	2.22	-106.14
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3C)C=C2)C=C1C(=O)[O-]	REAL300000374559	1	48	-2.0	-107.59	400.52	4.73	-102.86
CC1COCCN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000374561	0	44	-2.0	-111.78	376.31	4.55	-107.23
CC1COCCN1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000374562	0	43	-2.0	-105.56	368.70	2.63	-102.93
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3C)C=C2)C=C(C(=O)[O-])O1	REAL300000374563	0	47	-2.0	-101.92	394.81	4.53	-97.39
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)C=C12	REAL300000374564	0	39	-2.0	-85.83	361.88	0.56	-85.27
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C12	REAL300000374565	0	32	-2.0	-100.56	309.95	2.00	-98.56
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2ON=C(C)C2=C1	REAL300000374566	0	40	-2.0	-102.86	365.03	3.07	-99.79
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C12	REAL300000374567	0	32	-2.0	-91.13	305.40	1.98	-89.15
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C12	REAL300000374568	0	32	-2.0	-102.47	305.42	1.97	-100.50
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2ON=C(C)C2=C1	REAL300000374569	0	36	-2.0	-108.49	333.56	1.76	-106.73
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C12	REAL300000374570	0	36	-2.0	-91.50	336.87	3.27	-88.23
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000374571	0	35	-2.0	-103.41	321.43	2.51	-100.90
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C12	REAL300000374572	0	32	-2.0	-99.28	318.48	2.55	-96.73
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C12	REAL300000374573	0	32	-2.0	-98.66	317.93	2.37	-96.29
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=C(C)C(C)=CC(C(=O)[O-])=C3)C=C12	REAL300000374574	0	38	-2.0	-106.80	338.08	3.31	-103.49
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C12	REAL300000374575	0	32	-2.0	-100.30	310.89	2.04	-98.26
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C12	REAL300000374576	0	38	-2.0	-90.32	348.99	3.56	-86.76
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C12	REAL300000374577	0	29	-2.0	-97.08	298.59	1.00	-96.08
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C12	REAL300000374578	0	35	-2.0	-104.82	320.84	2.76	-102.06
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C12	REAL300000374579	0	36	-2.0	-90.06	336.49	2.25	-87.81
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C12	REAL300000374580	0	33	-2.0	-101.02	312.06	1.33	-99.69
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C=C12	REAL300000374581	0	36	-2.0	-105.71	329.20	0.81	-104.90
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C3ON=C(C)C3=C2)=C1	REAL300000374582	0	32	-2.0	-93.46	314.53	1.65	-91.81
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=C(C)C=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000374583	0	38	-2.0	-106.13	336.48	3.31	-102.82
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C12	REAL300000374584	0	29	-2.0	-98.56	297.06	1.01	-97.55
COC1=CC(S(=O)(=O)[N-]C2=CN=C3ON=C(C)C3=C2)=CC(C(=O)[O-])=C1OC	REAL300000374585	0	40	-2.0	-102.93	363.72	1.77	-101.16
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3ON=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000374586	0	36	-2.0	-108.38	332.70	2.04	-106.34
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)C=C12	REAL300000374587	0	42	-2.0	-108.12	360.65	4.60	-103.52
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)C=C12	REAL300000374588	0	41	-2.0	-106.82	359.31	3.98	-102.84
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2ON=C(C)C2=C1	REAL300000374589	0	38	-2.0	-103.83	335.55	3.70	-100.13
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2ON=C(C)C2=C1	REAL300000374590	0	39	-2.0	-108.82	355.84	2.54	-106.28
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C12	REAL300000374591	0	34	-3.0	-174.10	333.83	2.54	-171.56
CC1=NOC2=NC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C12	REAL300000374591	1	35	-2.0	-109.68	340.53	2.40	-107.28
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C12	REAL300000374592	0	39	-2.0	-108.42	349.66	3.88	-104.54
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C12	REAL300000374593	0	32	-2.0	-97.89	308.45	1.12	-96.77
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)C=C12	REAL300000374594	0	38	-2.0	-107.05	347.59	1.75	-105.30
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C12	REAL300000374595	0	36	-2.0	-103.34	334.39	1.06	-102.28
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)C=C12	REAL300000374596	0	40	-2.0	-91.07	359.04	2.59	-88.48
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=C12	REAL300000374597	0	32	-2.0	-96.50	323.00	2.58	-93.92
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)C=C12	REAL300000374598	0	36	-2.0	-88.91	352.52	2.79	-86.12
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(C)=C3)C=C12	REAL300000374599	0	39	-2.0	-90.44	356.56	2.96	-87.48
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C12	REAL300000374600	0	35	-2.0	-95.58	326.12	2.80	-92.78
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=C12	REAL300000374601	0	36	-2.0	-89.96	342.71	2.31	-87.65
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C3ON=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000374602	0	39	-2.0	-108.93	354.55	2.95	-105.98
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C12	REAL300000374603	0	32	-2.0	-101.22	315.11	1.87	-99.35
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C12	REAL300000374604	0	32	-2.0	-88.87	318.46	2.54	-86.33
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C12	REAL300000374605	0	32	-2.0	-90.93	309.93	2.01	-88.92
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C12	REAL300000374606	0	29	-2.0	-92.36	297.67	1.09	-91.27
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C12	REAL300000374607	0	32	-2.0	-93.78	311.81	2.04	-91.74
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=C(F)C(C)=CC(C(=O)[O-])=C3)C=C12	REAL300000374608	0	35	-2.0	-101.41	331.18	2.67	-98.74
COC1=CC(S(=O)(=O)[N-]C2=CN=C3ON=C(C)C3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000374609	0	36	-2.0	-93.45	345.71	2.60	-90.85
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C12	REAL300000374610	0	32	-2.0	-90.03	310.87	2.05	-87.98
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C12	REAL300000374611	0	32	-2.0	-88.80	317.91	2.37	-86.43
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)C=C12	REAL300000374612	0	35	-2.0	-97.24	334.85	3.17	-94.07
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)C=C12	REAL300000374613	0	40	-2.0	-88.69	369.15	3.38	-85.31
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C12	REAL300000374614	0	32	-2.0	-92.51	316.23	2.07	-90.44
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C12	REAL300000374615	0	34	-2.0	-88.26	333.60	2.64	-85.62
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C12	REAL300000374616	0	33	-2.0	-104.27	315.13	-0.31	-104.58
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C12	REAL300000374617	0	35	-2.0	-93.90	327.59	2.76	-91.14
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=C12	REAL300000374618	0	32	-2.0	-93.73	326.11	2.50	-91.23
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C12	REAL300000374619	0	35	-2.0	-98.11	315.45	2.60	-95.51
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C(C)=C3)C=C12	REAL300000374620	0	35	-2.0	-101.72	330.24	2.62	-99.10
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C12	REAL300000374621	0	35	-2.0	-91.75	320.82	2.74	-89.01
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C(C)=C3)C=C12	REAL300000374622	0	38	-2.0	-106.32	342.21	3.14	-103.18
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=C12	REAL300000374623	0	34	-2.0	-101.94	331.98	3.06	-98.88
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C12	REAL300000374624	0	32	-2.0	-91.99	317.16	2.10	-89.89
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=C12	REAL300000374625	0	38	-2.0	-102.43	338.80	3.38	-99.05
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=C(F)C=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000374626	0	35	-2.0	-102.36	330.72	2.66	-99.70
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=C(Cl)C(C)=CC(C(=O)[O-])=C3)C=C12	REAL300000374627	0	35	-2.0	-100.83	337.15	3.09	-97.74
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C12	REAL300000374628	0	35	-2.0	-105.72	330.45	2.66	-103.06
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C3ON=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000374629	0	38	-2.0	-104.10	339.38	3.16	-100.94
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3ON=C(C)C3=C2)C=C1CC(=O)[O-]	REAL300000374630	0	39	-2.0	-103.63	355.88	2.10	-101.53
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)C=C12	REAL300000374631	0	35	-2.0	-91.87	331.67	3.17	-88.70
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C(C)=C3)C=C12	REAL300000374632	0	35	-2.0	-100.20	336.63	2.93	-97.27
CCN1C=C(S(=O)(=O)[N-]C2=CN=C3ON=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000374633	0	36	-2.0	-102.20	333.43	2.19	-100.01
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=C(C)C=C(C)C(CC(=O)[O-])=C3C)C=C12	REAL300000374634	0	44	-2.0	-101.56	370.56	4.84	-96.72
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000374635	0	35	-2.0	-96.91	339.15	3.03	-93.88
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)C=C12	REAL300000374636	0	41	-2.0	-101.52	354.85	4.11	-97.41
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=C3ON=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000374637	0	36	-2.0	-104.87	345.73	2.61	-102.26
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C12	REAL300000374638	0	35	-2.0	-92.61	325.48	2.61	-90.00
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])C=C12	REAL300000374639	0	37	-2.0	-94.76	348.68	4.16	-90.60
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C12	REAL300000374640	0	35	-2.0	-102.97	324.95	2.81	-100.16
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=C12	REAL300000374641	0	34	-2.0	-108.59	329.15	3.82	-104.77
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C12	REAL300000374642	0	32	-2.0	-105.22	309.07	2.00	-103.22
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000374643	0	35	-2.0	-95.26	330.35	2.65	-92.61
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C12	REAL300000374644	0	38	-2.0	-110.11	346.45	4.10	-106.01
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C12	REAL300000374645	0	31	-2.0	-100.80	302.40	0.03	-100.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C2ON=C(C)C2=C1	REAL300000374646	0	36	-2.0	-94.99	333.61	1.78	-93.21
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C12	REAL300000374647	0	29	-2.0	-91.45	305.56	0.94	-90.51
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C12	REAL300000374648	0	39	-2.0	-97.96	351.53	3.86	-94.10
CC1=NOC2=NC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C12	REAL300000374649	0	39	-2.0	-98.95	350.85	3.86	-95.09
CCC1=C(S(=O)(=O)[N-]C2=CN=C3ON=C(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000374650	0	35	-2.0	-98.05	327.54	1.96	-96.09
COC(=O)CCN(C1=CC=CC(F)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000374665	0	41	-2.0	-110.66	374.77	6.91	-103.75
CCNC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000374674	1	44	-2.0	-112.69	381.79	5.73	-106.96
CCNC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000374675	1	44	-2.0	-125.89	381.81	5.72	-120.17
CCNC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000374676	0	41	-2.0	-119.85	374.99	4.74	-115.11
CCNC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C21	REAL300000374677	0	45	-2.0	-124.21	388.46	5.08	-119.13
CCNC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000374678	0	41	-2.0	-121.29	373.46	4.75	-116.54
CCNC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C21	REAL300000374679	0	44	-2.0	-118.03	384.82	4.86	-113.17
CCNC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000374680	0	41	-2.0	-114.55	374.08	4.85	-109.70
CCNC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000374681	0	43	-2.0	-121.11	378.81	3.78	-117.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=CC=C1F	REAL300000374682	0	33	-2.0	-111.82	324.88	5.89	-105.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1	REAL300000374683	0	33	-2.0	-102.00	320.34	5.87	-96.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374684	0	33	-2.0	-114.11	320.35	5.87	-108.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=N2)N=C1	REAL300000374685	0	37	-2.0	-119.36	348.49	5.67	-113.69
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1	REAL300000374686	0	37	-2.0	-101.57	351.81	7.16	-94.41
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000374687	0	36	-2.0	-115.16	336.36	6.39	-108.77
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374688	0	33	-2.0	-109.87	333.42	6.43	-103.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=CC=C1Cl	REAL300000374689	0	33	-2.0	-110.06	332.85	6.25	-103.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1C	REAL300000374690	0	39	-2.0	-116.81	352.74	7.18	-109.63
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374691	0	33	-2.0	-111.21	325.82	5.92	-105.29
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1	REAL300000374692	0	39	-2.0	-100.76	363.91	7.45	-93.31
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374693	0	30	-2.0	-108.45	313.53	4.89	-103.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=N2)N=C1	REAL300000374694	0	36	-2.0	-115.05	335.78	6.65	-108.40
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1	REAL300000374695	0	37	-2.0	-100.28	351.42	6.14	-94.14
CN1C=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000374696	0	34	-2.0	-112.65	326.99	5.22	-107.43
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=N2)N=C1	REAL300000374697	0	37	-2.0	-115.50	344.55	4.69	-110.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374698	0	33	-2.0	-104.65	329.46	5.54	-99.11
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000374699	0	39	-2.0	-116.45	351.42	7.20	-109.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=CS1	REAL300000374700	0	30	-2.0	-109.91	312.00	4.90	-105.01
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000374701	0	37	-2.0	-120.04	347.63	5.93	-114.11
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374702	0	43	-2.0	-118.56	375.59	8.49	-110.07
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=N2)N=C1	REAL300000374703	0	42	-2.0	-116.98	374.25	7.87	-109.11
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=N2)N=C1	REAL300000374704	0	39	-2.0	-113.36	350.50	7.57	-105.79
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=N2)N=C1	REAL300000374705	0	40	-2.0	-118.91	370.78	6.44	-112.47
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374706	0	35	-3.0	-189.18	348.76	6.43	-182.75
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374707	0	40	-2.0	-118.97	364.59	7.76	-111.21
CC1=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C(C(=O)[O-])O1	REAL300000374708	0	33	-2.0	-108.11	323.36	5.01	-103.10
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374709	0	37	-2.0	-115.30	349.33	4.96	-110.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C(Cl)C=C1F	REAL300000374710	0	33	-2.0	-106.72	337.93	6.46	-100.26
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=CC=C1OCC(=O)[O-]	REAL300000374711	0	40	-2.0	-100.68	371.50	6.85	-93.83
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=N2)N=C1	REAL300000374712	0	36	-2.0	-105.75	341.05	6.68	-99.07
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1F	REAL300000374713	0	37	-2.0	-99.81	357.64	6.20	-93.61
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000374714	0	40	-2.0	-120.67	369.48	6.85	-113.82
CC1=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C(C(=O)[O-])S1	REAL300000374715	0	33	-2.0	-111.39	330.04	5.75	-105.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C(Cl)=C1	REAL300000374716	0	33	-2.0	-99.70	333.40	6.43	-93.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1F	REAL300000374717	0	33	-2.0	-101.55	324.87	5.91	-95.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)S1	REAL300000374718	0	30	-2.0	-103.51	312.62	4.99	-98.52
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374719	0	33	-2.0	-105.08	326.75	5.93	-99.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1F	REAL300000374720	0	36	-2.0	-112.48	346.12	6.56	-105.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C(F)=C1	REAL300000374721	0	33	-2.0	-101.29	325.81	5.94	-95.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1Cl	REAL300000374722	0	33	-2.0	-99.52	332.84	6.27	-93.25
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=N2)N=C1	REAL300000374723	0	36	-2.0	-107.34	349.79	7.07	-100.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=CC(F)=C1F	REAL300000374724	0	33	-2.0	-103.47	331.16	5.96	-97.51
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374725	0	35	-2.0	-99.26	348.53	6.53	-92.73
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374726	0	34	-2.0	-113.91	330.06	3.58	-110.33
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1	REAL300000374727	0	36	-2.0	-105.29	342.51	6.64	-98.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=CC(Cl)=C1F	REAL300000374728	0	33	-2.0	-104.77	341.05	6.40	-98.37
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=N2)N=C1	REAL300000374729	0	36	-2.0	-110.51	330.39	6.49	-104.02
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000374730	0	36	-2.0	-113.08	345.20	6.51	-106.57
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=N2)N=C1	REAL300000374731	0	36	-2.0	-102.26	335.76	6.65	-95.61
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000374732	0	39	-2.0	-118.38	357.84	7.06	-111.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=CC=C1[N+](=O)[O-]	REAL300000374733	0	35	-2.0	-112.62	346.92	6.95	-105.67
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374734	0	33	-2.0	-102.95	332.10	5.98	-96.97
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C(C)=C1C(=O)[O-]	REAL300000374735	0	39	-2.0	-114.79	353.73	7.27	-107.52
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000374736	0	36	-2.0	-113.45	345.66	6.55	-106.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1Cl	REAL300000374737	0	36	-2.0	-111.52	352.09	6.99	-104.53
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374738	0	36	-2.0	-118.81	345.38	6.55	-112.26
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000374739	0	39	-2.0	-115.86	354.31	7.04	-108.82
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1CC(=O)[O-]	REAL300000374740	0	40	-2.0	-115.68	370.81	5.99	-109.69
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=N2)N=C1	REAL300000374741	0	36	-2.0	-103.73	346.61	7.04	-96.69
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000374742	0	36	-2.0	-111.75	351.59	6.82	-104.93
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000374743	0	37	-2.0	-113.87	348.37	6.09	-107.78
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000374744	0	36	-2.0	-108.59	354.08	6.93	-101.66
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=CC=C1C(=O)[O-]	REAL300000374745	0	36	-2.0	-103.61	340.42	6.50	-97.11
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=N2)N=C1	REAL300000374746	0	36	-2.0	-112.54	340.30	6.67	-105.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1[N+](=O)[O-]	REAL300000374747	0	35	-2.0	-121.37	344.08	7.72	-113.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1F	REAL300000374748	0	33	-2.0	-118.09	324.01	5.89	-112.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000374749	0	36	-2.0	-106.78	345.28	6.54	-100.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=CC2=CC=CC=C21	REAL300000374750	0	39	-2.0	-122.07	361.38	8.00	-114.07
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C1	REAL300000374751	0	32	-2.0	-111.58	316.57	3.99	-107.59
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=N2)N=C1	REAL300000374752	0	37	-2.0	-106.06	348.55	5.67	-100.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)=C(Cl)O1	REAL300000374753	0	30	-2.0	-102.10	320.49	4.84	-97.26
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(C4=NC=CC=N4)N=C3)C=C2)CC1	REAL300000374754	0	40	-2.0	-108.36	366.47	7.74	-100.62
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(C4=NC=CC=N4)N=C3)C=C2C1	REAL300000374755	0	40	-2.0	-111.62	365.78	7.74	-103.88
CCC1=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=N3)N=C2)C=C(C(=O)[O-])O1	REAL300000374756	0	36	-2.0	-107.95	342.48	5.86	-102.09
CC1CCN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)CC1	REAL300000374761	0	46	-2.0	-105.64	385.00	6.94	-98.70
CC1CCN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)CC1	REAL300000374762	0	43	-2.0	-102.43	372.71	5.89	-96.54
CC1CCN(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)CC1	REAL300000374764	1	47	-2.0	-106.49	386.17	6.23	-100.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3CCC(C)CC3)C=C2)=C1	REAL300000374765	0	46	-2.0	-98.44	388.65	6.55	-91.89
CC1CCN(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)CC1	REAL300000374766	1	43	-2.0	-103.71	371.17	5.91	-97.80
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCC(C)CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000374767	0	46	-2.0	-101.99	382.53	6.02	-95.97
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCC(C)CC3)C=C2)C=C(C(=O)[O-])S1	REAL300000374768	1	46	-2.0	-105.32	389.22	6.76	-98.56
CC1CCN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)CC1	REAL300000374770	0	43	-2.0	-97.16	371.80	5.99	-91.17
CC1CCN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)CC1	REAL300000374772	0	46	-2.0	-94.84	384.99	6.94	-87.90
CC1CCN(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)CC1	REAL300000374773	0	47	-2.0	-105.80	388.45	5.38	-100.42
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCC(C)CC3)C=C2)C=C1C(=O)[O-]	REAL300000374777	1	50	-2.0	-107.77	407.54	7.08	-100.69
CC1CCN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)CC1	REAL300000374779	0	46	-2.0	-112.28	383.19	6.91	-105.37
CC1CCN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)CC1	REAL300000374780	0	45	-2.0	-105.89	375.75	4.99	-100.90
CC1CCN(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)CC1	REAL300000374781	0	43	-2.0	-95.70	379.66	5.86	-89.84
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCC(C)CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000374782	0	49	-2.0	-101.95	401.65	6.86	-95.09
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000374783	0	37	-2.0	-120.13	362.29	2.16	-117.97
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000374784	0	37	-2.0	-109.17	357.75	2.13	-107.04
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000374785	0	37	-2.0	-122.91	357.76	2.13	-120.78
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000374786	0	41	-2.0	-108.58	389.21	3.42	-105.16
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCS(C)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000374787	0	40	-2.0	-125.37	377.83	2.77	-122.60
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000374788	0	37	-2.0	-120.02	363.24	2.19	-117.83
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000374789	0	34	-2.0	-116.70	350.95	1.15	-115.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCS(C)(=O)=O)C=C1	REAL300000374790	0	40	-2.0	-123.95	373.20	2.90	-121.05
CN1C=C(S(=O)(=O)[N-]C2=NN(CCS(C)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000374791	0	38	-2.0	-121.06	364.41	1.47	-119.59
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CCS(C)(=O)=O)C=C2)=C1	REAL300000374792	0	37	-2.0	-111.81	366.88	1.81	-110.00
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000374793	0	34	-2.0	-118.23	349.41	1.16	-117.07
CC1=C(S(=O)(=O)[N-]C2=NN(CCS(C)(=O)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000374794	0	37	-2.0	-116.25	360.77	1.27	-114.98
CC1=C(S(=O)(=O)[N-]C2=NN(CCS(C)(=O)=O)C=C2)C=C(C(=O)[O-])S1	REAL300000374795	0	37	-2.0	-119.85	367.46	2.01	-117.84
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000374796	0	37	-2.0	-108.41	362.27	2.17	-106.24
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000374797	0	34	-2.0	-110.61	350.01	1.27	-109.34
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000374798	0	37	-2.0	-112.06	364.17	2.19	-109.87
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000374799	0	37	-2.0	-108.40	363.22	2.21	-106.19
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000374800	0	38	-2.0	-122.60	367.48	-0.16	-122.76
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000374801	0	40	-2.0	-112.95	379.95	2.91	-110.04
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CCS(C)(=O)=O)C=C1	REAL300000374802	0	40	-2.0	-117.37	367.83	2.76	-114.61
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCS(C)(=O)=O)C=C1	REAL300000374803	0	40	-2.0	-109.49	373.17	2.89	-106.60
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCS(C)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000374804	0	41	-2.0	-122.37	385.78	2.35	-120.02
CC1=CC(S(=O)(=O)[N-]C2=NN(CCS(C)(=O)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000374805	0	40	-2.0	-109.46	373.77	2.67	-106.79
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000374806	0	37	-2.0	-125.12	361.42	2.15	-122.97
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000374807	0	36	-2.0	-119.61	354.75	0.17	-119.44
CS(=O)(=O)CCN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000374808	0	34	-2.0	-109.72	357.90	1.10	-108.62
CCC1=C(S(=O)(=O)[N-]C2=NN(CCS(C)(=O)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000374809	0	40	-2.0	-116.09	379.89	2.12	-113.97
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300000374810	0	35	-2.0	-77.39	341.15	3.78	-73.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=CC=C1F	REAL300000374811	1	28	-2.0	-92.06	289.22	5.22	-86.84
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1	REAL300000374812	0	36	-2.0	-93.57	344.30	6.28	-87.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300000374813	1	28	-2.0	-82.64	284.67	5.20	-77.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374814	1	28	-2.0	-93.86	284.69	5.19	-88.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1	REAL300000374815	0	32	-2.0	-98.88	312.82	4.99	-93.89
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300000374816	1	32	-2.0	-82.99	316.14	6.49	-76.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000374817	1	31	-2.0	-94.56	300.70	5.72	-88.84
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374818	0	28	-2.0	-90.18	297.75	5.76	-84.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=CC=C1Cl	REAL300000374819	1	28	-2.0	-90.07	297.20	5.58	-84.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1C	REAL300000374820	1	34	-2.0	-97.05	317.08	6.50	-90.55
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374821	0	28	-2.0	-91.02	290.16	5.25	-85.77
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300000374822	1	34	-2.0	-81.99	328.26	6.77	-75.22
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374823	0	25	-2.0	-88.56	277.86	4.20	-84.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1	REAL300000374824	1	31	-2.0	-95.32	300.11	5.98	-89.34
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300000374825	1	32	-2.0	-81.63	315.75	5.46	-76.17
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000374826	0	29	-2.0	-92.44	291.33	4.55	-87.89
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1	REAL300000374827	1	32	-2.0	-95.89	308.89	4.00	-91.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374828	0	28	-2.0	-84.93	293.81	4.88	-80.05
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000374829	1	34	-2.0	-96.61	315.75	6.54	-90.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=CS1	REAL300000374830	0	25	-2.0	-90.04	276.33	4.22	-85.82
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000374831	1	36	-2.0	-94.21	343.02	5.00	-89.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000374832	1	32	-2.0	-99.60	311.97	5.26	-94.34
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374833	1	38	-2.0	-98.47	339.93	7.82	-90.65
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1	REAL300000374834	1	37	-2.0	-97.12	338.58	7.19	-89.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1	REAL300000374835	1	34	-2.0	-94.35	314.81	6.91	-87.44
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1	REAL300000374836	0	35	-2.0	-98.82	335.11	5.75	-93.07
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374837	0	31	-2.0	-106.35	319.80	5.61	-100.74
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374837	1	30	-3.0	-165.56	313.10	5.75	-159.81
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374838	1	35	-2.0	-98.71	328.93	7.09	-91.62
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000374839	0	28	-2.0	-89.03	287.69	4.34	-84.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=CC2=C1OCCO2	REAL300000374840	1	34	-2.0	-98.32	326.86	4.96	-93.36
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374841	0	32	-2.0	-94.19	313.60	4.28	-89.91
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C(F)=C3)C=C2C1	REAL300000374842	1	36	-2.0	-82.45	338.31	5.80	-76.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C(Cl)C=C1F	REAL300000374843	0	28	-2.0	-87.50	302.28	5.78	-81.72
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1Cl	REAL300000374844	1	32	-2.0	-80.53	331.79	6.00	-74.53
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=CC=C1OCC(=O)[O-]	REAL300000374845	1	35	-2.0	-81.97	335.84	6.17	-75.80
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1	REAL300000374846	1	31	-2.0	-86.44	305.39	6.01	-80.43
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1F	REAL300000374847	1	32	-2.0	-81.51	321.99	5.53	-75.98
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000374848	1	35	-2.0	-100.20	333.83	6.17	-94.03
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000374849	0	28	-2.0	-92.28	293.31	5.08	-87.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C(Cl)=C1	REAL300000374850	0	28	-2.0	-80.52	297.74	5.75	-74.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1F	REAL300000374851	1	28	-2.0	-82.59	289.22	5.23	-77.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)S1	REAL300000374852	0	25	-2.0	-83.93	276.95	4.32	-79.61
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374853	0	28	-2.0	-85.25	291.10	5.25	-80.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1F	REAL300000374854	0	31	-2.0	-91.98	310.45	5.88	-86.10
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000374855	0	32	-2.0	-85.10	324.99	5.81	-79.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C(F)=C1	REAL300000374856	0	28	-2.0	-81.62	290.13	5.26	-76.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1Cl	REAL300000374857	1	28	-2.0	-80.46	297.18	5.59	-74.87
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1	REAL300000374858	1	31	-2.0	-88.00	314.12	6.38	-81.62
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300000374859	0	36	-2.0	-80.19	348.43	6.60	-73.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=CC(F)=C1F	REAL300000374860	1	28	-2.0	-84.12	295.51	5.28	-78.84
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374861	0	30	-2.0	-79.80	312.88	5.85	-73.95
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374862	0	29	-2.0	-94.61	294.39	2.90	-91.71
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374862	1	29	-2.0	-97.84	293.49	3.77	-94.07
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300000374863	1	31	-2.0	-86.00	306.86	5.97	-80.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=CC(Cl)=C1F	REAL300000374864	1	28	-2.0	-85.36	305.40	5.72	-79.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1	REAL300000374865	1	31	-2.0	-91.18	298.52	5.93	-85.25
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=CC(C(=O)[O-])=C1F	REAL300000374866	1	31	-2.0	-93.01	309.52	5.83	-87.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1	REAL300000374867	1	31	-2.0	-83.23	300.09	5.96	-77.27
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=CC(C(=O)[O-])=C1C	REAL300000374868	1	34	-2.0	-96.18	317.56	6.25	-89.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=CC=C1[N+](=O)[O-]	REAL300000374869	0	30	-2.0	-93.61	311.26	6.28	-87.33
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374870	0	28	-2.0	-83.07	296.44	5.32	-77.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000374871	1	34	-2.0	-94.35	318.07	6.60	-87.75
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000374872	0	31	-2.0	-92.89	310.00	5.89	-87.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1Cl	REAL300000374873	0	31	-2.0	-91.49	316.43	6.32	-85.17
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374874	0	31	-2.0	-97.69	309.72	5.88	-91.81
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000374875	1	34	-2.0	-95.20	318.65	6.38	-88.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1CC(=O)[O-]	REAL300000374876	1	35	-2.0	-95.75	335.16	5.31	-90.44
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1	REAL300000374877	1	31	-2.0	-83.72	310.94	6.36	-77.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1C(F)(F)F	REAL300000374878	1	31	-2.0	-79.63	314.82	5.99	-73.64
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000374879	1	31	-2.0	-91.48	315.91	6.15	-85.33
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000374880	0	32	-2.0	-93.45	312.63	5.40	-88.05
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C(C)=C1CC(=O)[O-]	REAL300000374881	1	40	-2.0	-94.19	349.84	8.04	-86.15
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000374882	1	31	-2.0	-87.10	314.56	6.15	-80.95
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000374883	0	37	-2.0	-92.51	334.12	7.32	-85.19
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000374884	0	32	-2.0	-95.54	325.00	5.82	-89.72
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000374885	1	31	-2.0	-84.21	304.75	5.84	-78.37
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C([N+](=O)[O-])=C1	REAL300000374886	0	33	-2.0	-86.96	327.94	7.38	-79.58
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1	REAL300000374887	1	31	-2.0	-93.38	304.63	6.00	-87.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1[N+](=O)[O-]	REAL300000374888	0	30	-2.0	-100.49	308.42	7.04	-93.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1F	REAL300000374889	0	28	-2.0	-97.33	288.34	5.23	-92.10
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000374890	1	31	-2.0	-85.61	305.86	5.75	-79.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=CC2=CC=CC=C21	REAL300000374891	1	34	-2.0	-101.41	325.72	7.31	-94.10
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000374892	0	27	-2.0	-91.25	281.67	3.24	-88.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1	REAL300000374893	0	32	-2.0	-86.29	312.89	4.99	-81.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)=C(Cl)O1	REAL300000374894	0	25	-2.0	-82.88	284.83	4.18	-78.70
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C(F)=C3)C=C2)CC1	REAL300000374895	1	35	-2.0	-87.88	328.66	7.01	-80.87
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(F)C(F)=C3)C=C2C1	REAL300000374896	1	35	-2.0	-90.61	328.77	7.05	-83.56
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000374897	0	31	-2.0	-88.98	306.81	5.18	-83.80
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000374898	1	40	-2.0	-112.73	369.03	7.40	-105.33
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000374900	1	40	-2.0	-113.45	364.49	7.38	-106.07
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000374901	0	44	-2.0	-119.13	392.63	7.18	-111.95
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000374902	1	44	-2.0	-101.18	395.94	8.67	-92.51
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000374904	0	40	-2.0	-109.15	377.56	7.95	-101.20
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000374905	1	40	-2.0	-111.19	377.01	7.77	-103.42
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000374906	1	46	-2.0	-116.36	397.17	8.71	-107.65
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000374907	0	40	-2.0	-111.22	369.96	7.44	-103.78
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000374908	1	46	-2.0	-100.33	408.05	8.97	-91.36
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000374909	0	37	-2.0	-107.86	357.67	6.39	-101.47
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000374910	1	43	-2.0	-114.09	379.92	8.16	-105.93
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000374912	1	41	-2.0	-112.00	371.14	6.71	-105.29
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000374914	0	40	-2.0	-104.96	373.61	7.05	-97.91
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000374916	0	37	-2.0	-109.20	356.14	6.41	-102.79
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000374918	1	46	-2.0	-112.31	394.63	9.09	-103.22
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000374919	0	40	-2.0	-107.20	367.49	6.51	-100.69
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000374920	0	44	-2.0	-116.33	393.47	6.47	-109.86
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000374921	1	43	-2.0	-104.68	385.20	8.20	-96.48
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000374922	1	40	-2.0	-110.60	373.09	7.27	-103.33
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000374923	0	40	-2.0	-99.13	377.54	7.94	-91.19
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000374924	1	40	-2.0	-100.68	369.01	7.42	-93.26
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000374925	0	37	-2.0	-103.66	356.76	6.51	-97.15
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000374926	1	40	-2.0	-104.31	370.90	7.43	-96.88
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000374927	0	43	-2.0	-112.67	390.25	8.08	-104.59
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000374928	0	40	-2.0	-101.33	369.95	7.45	-93.88
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CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000374948	0	44	-2.0	-105.88	392.69	7.17	-98.71
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000374949	0	37	-2.0	-101.31	364.64	6.36	-94.95
CCOC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000374950	0	43	-2.0	-106.85	386.62	7.36	-99.49
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CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000374960	0	41	-2.0	-121.65	367.47	6.77	-114.88
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CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC2=CC=CC=C21	REAL300000374965	0	41	-2.0	-117.45	363.26	6.91	-110.54
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000374966	0	39	-2.0	-117.77	354.46	5.49	-112.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)=C1	REAL300000374967	0	38	-2.0	-109.35	356.94	5.82	-103.53
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000374968	0	44	-2.0	-118.71	378.67	7.39	-111.32
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CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC2=CC=CC=C21	REAL300000374970	0	44	-2.0	-114.70	377.95	7.65	-107.05
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000374971	0	38	-2.0	-111.32	350.83	5.28	-106.04
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300000374972	0	38	-2.0	-114.19	356.42	6.04	-108.15
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O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)C=C1	REAL300000374978	0	41	-2.0	-108.49	369.99	6.92	-101.57
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC2=CC=CC=C21	REAL300000374979	0	41	-2.0	-116.90	357.41	6.73	-110.17
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC2=CC=CC=C21	REAL300000374980	0	41	-2.0	-106.20	363.24	6.90	-99.30
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000374981	0	44	-2.0	-123.67	384.84	7.31	-116.36
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)C(C)=C1C(=O)[O-]	REAL300000374982	0	44	-2.0	-121.14	381.92	7.50	-113.64
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000374983	0	44	-2.0	-120.85	381.96	7.32	-113.53
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000374984	0	42	-2.0	-119.09	375.85	6.36	-112.73
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000374985	0	41	-2.0	-106.78	363.83	6.68	-100.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)=C1F	REAL300000374986	0	38	-2.0	-125.21	351.44	6.16	-119.05
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)=C1	REAL300000374987	0	37	-2.0	-116.68	344.04	4.27	-112.41
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CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000374989	0	41	-2.0	-110.50	369.98	6.06	-104.44
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000374990	1	41	-2.0	-107.80	376.08	8.45	-99.35
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000374992	1	41	-2.0	-109.45	371.54	8.42	-101.03
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CSC(C)C)=C1	REAL300000374993	0	45	-2.0	-114.96	399.68	8.22	-106.74
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000374994	1	45	-2.0	-96.63	403.01	9.71	-86.92
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000374996	0	41	-2.0	-104.93	384.61	8.99	-95.94
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000374997	1	41	-2.0	-106.19	384.06	8.81	-97.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2)=C1C	REAL300000374998	1	47	-2.0	-112.23	404.22	9.76	-102.47
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000374999	0	41	-2.0	-106.76	377.02	8.48	-98.28
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000375000	1	47	-2.0	-95.85	415.12	10.00	-85.85
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000375001	0	38	-2.0	-103.70	364.72	7.43	-96.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CSC(C)C)=C1	REAL300000375002	1	44	-2.0	-110.04	386.97	9.20	-100.84
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000375004	1	42	-2.0	-107.83	378.19	7.76	-100.07
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2)=C1	REAL300000375006	0	41	-2.0	-100.33	380.65	8.08	-92.25
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000375008	0	38	-2.0	-105.06	363.19	7.45	-97.61
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CSC(C)C)=C1	REAL300000375010	1	47	-2.0	-108.20	401.71	10.13	-98.07
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000375011	0	41	-2.0	-103.07	374.55	7.55	-95.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2)=C1	REAL300000375012	0	45	-2.0	-111.46	400.53	7.51	-103.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CSC(C)C)=C1	REAL300000375013	1	44	-2.0	-100.55	392.25	9.23	-91.32
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000375014	1	41	-2.0	-106.43	380.14	8.31	-98.12
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000375015	0	41	-2.0	-94.72	384.59	8.98	-85.74
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000375016	1	41	-2.0	-96.43	376.06	8.46	-87.97
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000375017	0	38	-2.0	-99.05	363.81	7.55	-91.50
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000375018	1	41	-2.0	-100.18	377.95	8.47	-91.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2)=C1F	REAL300000375019	0	44	-2.0	-108.32	397.30	9.11	-99.21
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000375020	0	41	-2.0	-96.77	377.00	8.49	-88.28
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000375021	1	41	-2.0	-94.57	384.04	8.82	-85.75
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000375022	0	42	-2.0	-108.94	381.24	6.13	-102.81
CC(C)SCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000375022	1	42	-2.0	-105.53	380.34	7.00	-98.53
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000375023	1	44	-2.0	-100.65	393.73	9.19	-91.46
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CSC(C)C)=C1	REAL300000375024	1	44	-2.0	-106.62	381.61	9.06	-97.56
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000375025	1	44	-2.0	-108.06	396.39	9.07	-98.99
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2)C=C1C(=O)[O-]	REAL300000375029	0	44	-2.0	-109.18	396.85	9.11	-100.07
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2)=C1	REAL300000375030	0	44	-2.0	-115.78	396.58	9.11	-106.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2)C=C1C(=O)[O-]	REAL300000375031	1	47	-2.0	-112.53	405.82	9.60	-102.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2)C=C1C(=O)[O-]	REAL300000375032	1	45	-2.0	-109.16	399.56	8.64	-100.52
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000375035	0	41	-2.0	-114.89	375.20	8.45	-106.44
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2)C=C1C(=O)[O-]	REAL300000375036	1	44	-2.0	-102.88	396.48	9.10	-93.78
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000375037	0	40	-2.0	-107.34	367.76	6.55	-100.79
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CSC(C)C)=C1	REAL300000375038	0	45	-2.0	-101.43	399.73	8.22	-93.21
CC(C)SCC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000375039	0	38	-2.0	-97.04	371.69	7.41	-89.63
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000375040	0	44	-2.0	-102.67	393.67	8.40	-94.27
CC(C)SC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000375041	1	38	-2.0	-93.32	359.77	8.02	-85.30
CC(C)SC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000375042	0	38	-2.0	-103.10	362.27	8.13	-94.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2SC(C)C)C=C1C(=O)[O-]	REAL300000375043	1	41	-2.0	-104.19	378.16	8.66	-95.53
CC(C)SC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000375044	0	35	-2.0	-100.57	352.96	7.02	-93.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1SC(C)C	REAL300000375045	0	41	-2.0	-105.99	376.87	8.82	-97.17
CC(C)SC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000375046	0	39	-2.0	-104.50	366.29	7.35	-97.15
CC(C)SC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000375047	0	35	-2.0	-101.02	351.44	7.04	-93.98
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2SC(C)C)C=C(C(=O)[O-])O1	REAL300000375048	0	38	-2.0	-99.09	362.79	7.14	-91.95
CC(C)SC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000375049	0	35	-2.0	-93.31	354.43	7.25	-86.06
CC(C)SC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000375050	0	41	-2.0	-97.80	381.96	8.79	-89.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1SC(C)C	REAL300000375051	0	41	-2.0	-100.89	372.31	8.76	-92.13
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1SC(C)C	REAL300000375052	1	41	-2.0	-93.31	375.18	8.78	-84.53
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2SC(C)C)=CC=C1C(=O)[O-]	REAL300000375053	1	41	-2.0	-93.51	375.65	8.55	-84.96
CC(C)SC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000375054	0	37	-2.0	-102.64	356.63	6.06	-96.58
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000375055	0	38	-2.0	-118.34	345.56	4.27	-114.07
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000375056	0	38	-2.0	-108.24	341.01	4.25	-103.99
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000375057	0	38	-2.0	-121.48	341.03	4.24	-117.24
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000375058	0	42	-2.0	-125.62	369.18	4.04	-121.58
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000375059	0	42	-2.0	-106.46	372.48	5.54	-100.92
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000375060	0	41	-2.0	-122.93	357.05	4.78	-118.15
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000375061	0	38	-2.0	-115.19	354.11	4.81	-110.38
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000375062	0	38	-2.0	-117.00	353.54	4.63	-112.37
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000375063	0	44	-2.0	-122.39	374.14	5.57	-116.82
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000375064	0	38	-2.0	-117.97	346.51	4.31	-113.66
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000375065	0	44	-2.0	-105.76	384.60	5.83	-99.93
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000375066	0	35	-2.0	-115.58	334.21	3.27	-112.31
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000375067	0	41	-2.0	-120.33	356.47	5.02	-115.31
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000375068	0	42	-2.0	-105.24	372.10	4.53	-100.71
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000375069	0	39	-2.0	-119.81	347.68	3.60	-116.21
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000375070	0	42	-2.0	-120.28	365.23	3.05	-117.23
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000375071	0	38	-2.0	-111.69	350.17	3.93	-107.76
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000375072	0	44	-2.0	-121.76	372.48	5.56	-116.20
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000375073	0	35	-2.0	-116.85	332.68	3.28	-113.57
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000375074	0	42	-2.0	-127.34	368.32	4.31	-123.03
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000375075	0	47	-2.0	-122.06	394.23	6.24	-115.82
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(=O)NC	REAL300000375076	0	44	-2.0	-116.38	366.63	5.88	-110.50
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000375077	0	45	-2.0	-127.42	391.47	4.81	-122.61
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000375078	0	40	-3.0	-201.16	369.44	4.81	-196.35
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000375079	0	45	-2.0	-125.38	385.28	6.14	-119.24
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000375080	0	38	-2.0	-113.84	344.04	3.38	-110.46
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000375081	0	42	-2.0	-124.19	369.95	3.34	-120.85
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000375082	0	45	-2.0	-105.84	392.19	5.23	-100.61
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000375083	0	41	-2.0	-111.06	361.74	5.07	-105.99
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000375084	0	42	-2.0	-104.51	378.32	4.59	-99.92
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)NC)C=C1C(=O)[O-]	REAL300000375085	0	45	-2.0	-128.05	390.17	5.22	-122.83
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000375086	0	38	-2.0	-116.73	349.66	4.14	-112.59
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000375087	0	38	-2.0	-105.16	354.08	4.80	-100.36
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000375088	0	38	-2.0	-107.47	345.57	4.28	-103.19
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000375089	0	35	-2.0	-110.31	333.29	3.37	-106.94
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000375090	0	38	-2.0	-112.09	347.45	4.31	-107.78
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000375091	0	41	-2.0	-119.75	366.78	4.95	-114.80
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000375092	0	38	-2.0	-108.12	346.50	4.31	-103.81
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000375093	0	38	-2.0	-105.63	353.54	4.64	-100.99
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000375094	0	41	-2.0	-112.71	370.48	5.45	-107.26
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000375095	0	38	-2.0	-109.79	351.85	4.33	-105.46
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000375096	0	40	-2.0	-105.91	369.22	4.91	-101.00
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000375097	0	39	-2.0	-118.38	350.75	1.94	-116.44
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000375098	0	41	-2.0	-111.06	363.21	5.03	-106.03
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000375099	0	41	-2.0	-118.31	351.07	4.87	-113.44
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000375100	0	41	-2.0	-120.05	365.87	4.89	-115.16
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000375101	0	41	-2.0	-107.69	356.44	5.02	-102.67
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000375102	0	44	-2.0	-125.17	373.91	5.31	-119.86
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000375103	0	40	-2.0	-118.83	367.61	5.34	-113.49
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000375104	0	38	-2.0	-109.73	352.77	4.37	-105.36
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000375105	0	44	-2.0	-122.80	375.51	5.63	-117.17
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000375106	0	41	-2.0	-119.34	362.51	4.84	-114.50
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000375107	0	41	-2.0	-117.30	372.82	5.38	-111.92
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000375108	0	41	-2.0	-128.07	366.06	4.93	-123.14
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)NC)C=C1C(=O)[O-]	REAL300000375109	0	44	-2.0	-123.73	375.00	5.43	-118.30
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000375110	0	45	-2.0	-125.30	391.50	4.37	-120.93
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000375111	0	41	-2.0	-111.27	367.29	5.42	-105.85
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000375112	0	41	-2.0	-119.08	372.25	5.20	-113.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)NC)C=C1C(=O)[O-]	REAL300000375113	0	42	-2.0	-121.18	369.06	4.45	-116.73
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000375114	0	41	-2.0	-115.01	370.90	5.21	-109.80
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000375115	0	41	-2.0	-110.11	361.10	4.89	-105.22
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000375116	0	41	-2.0	-117.22	360.98	5.06	-112.16
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000375117	0	40	-2.0	-129.00	364.77	6.10	-122.90
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000375118	0	38	-2.0	-127.06	344.67	4.27	-122.79
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000375119	0	41	-2.0	-113.25	362.20	4.81	-108.44
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000375120	0	44	-2.0	-130.59	382.06	6.37	-124.22
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000375121	0	37	-2.0	-119.67	337.25	2.37	-117.30
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000375122	0	42	-2.0	-112.45	369.24	4.04	-108.41
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000375123	0	35	-2.0	-108.11	341.13	3.22	-104.89
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000375124	0	45	-2.0	-114.11	387.16	6.13	-107.98
CNC(=O)C1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000375125	0	45	-2.0	-119.56	385.12	6.10	-113.46
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(=O)NC)C=C(C(=O)[O-])O1	REAL300000375126	0	41	-2.0	-112.20	359.42	4.21	-107.99
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000375127	1	40	-2.0	-110.48	359.14	6.41	-104.07
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC2=N1	REAL300000375128	1	40	-2.0	-100.49	354.59	6.39	-94.10
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC2=N1	REAL300000375129	1	40	-2.0	-113.14	354.60	6.37	-106.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CN(C(C)C)N=C2C=C1	REAL300000375130	0	44	-2.0	-118.89	382.74	6.17	-112.72
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=CC2=N1	REAL300000375131	1	44	-2.0	-99.86	386.06	7.68	-92.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000375132	1	43	-2.0	-114.22	370.62	6.91	-107.31
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=CC2=N1	REAL300000375133	0	40	-2.0	-108.89	367.67	6.95	-101.94
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000375134	1	40	-2.0	-108.88	367.11	6.78	-102.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)=C1C	REAL300000375135	1	46	-2.0	-116.21	387.00	7.68	-108.53
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=CC2=N1	REAL300000375136	0	40	-2.0	-110.59	360.08	6.44	-104.15
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=CC2=N1	REAL300000375137	1	46	-2.0	-99.27	398.17	7.95	-91.32
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC2=N1	REAL300000375138	0	37	-2.0	-107.32	347.79	5.40	-101.92
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CN(C(C)C)N=C2C=C1	REAL300000375139	1	43	-2.0	-114.28	370.03	7.16	-107.12
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=CC2=N1	REAL300000375140	1	44	-2.0	-98.59	385.67	6.65	-91.94
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000375141	0	41	-2.0	-111.44	361.25	5.73	-105.71
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)=C1	REAL300000375143	0	40	-2.0	-103.40	363.71	6.06	-97.34
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000375144	1	46	-2.0	-115.54	386.06	7.70	-107.84
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC2=N1	REAL300000375145	0	37	-2.0	-108.66	346.25	5.42	-103.24
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CN(C(C)C)N=C2C=C1	REAL300000375147	1	46	-2.0	-112.56	384.75	8.10	-104.46
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=CC2=N1	REAL300000375148	1	47	-2.0	-118.54	398.85	8.28	-110.26
CC1=C(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)C=C(C(=O)[O-])O1	REAL300000375149	0	40	-2.0	-107.09	357.61	5.52	-101.57
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)=C1	REAL300000375150	0	44	-2.0	-114.07	383.59	5.48	-108.59
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CN(C(C)C)N=C2C=C1	REAL300000375151	1	43	-2.0	-104.69	375.31	7.20	-97.49
CC1=C(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)C=C(C(=O)[O-])S1	REAL300000375152	0	40	-2.0	-110.62	363.20	6.27	-104.35
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=CC2=N1	REAL300000375153	0	40	-2.0	-98.00	367.66	6.96	-91.04
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=CC2=N1	REAL300000375154	1	40	-2.0	-99.89	359.14	6.41	-93.48
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC2=N1	REAL300000375155	0	37	-2.0	-102.19	346.87	5.49	-96.70
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=CC2=N1	REAL300000375156	1	40	-2.0	-103.83	361.01	6.44	-97.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)=C1F	REAL300000375157	0	43	-2.0	-112.03	380.36	7.08	-104.95
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=CC2=N1	REAL300000375158	0	40	-2.0	-99.86	360.07	6.46	-93.40
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC2=N1	REAL300000375159	1	40	-2.0	-97.94	367.11	6.79	-91.15
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000375160	1	40	-2.0	-101.94	365.42	6.48	-95.46
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=CC2=N1	REAL300000375161	0	41	-2.0	-113.29	364.32	4.09	-109.20
CC(C)N1C=C2C=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=CC2=N1	REAL300000375161	1	41	-2.0	-110.76	353.37	4.98	-105.78
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=CC2=N1	REAL300000375162	1	43	-2.0	-104.22	376.77	7.15	-97.07
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=CN(C(C)C)N=C2C=C1	REAL300000375163	1	43	-2.0	-109.02	364.67	7.01	-102.01
CC1=CC(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)=CC(C(=O)[O-])=C1F	REAL300000375164	1	43	-2.0	-111.84	379.44	7.03	-104.81
CC1=CC(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)=CC(C(=O)[O-])=C1C	REAL300000375166	1	46	-2.0	-117.56	392.10	7.56	-110.00
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=CC2=N1	REAL300000375167	0	40	-2.0	-102.07	366.36	6.50	-95.57
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000375169	0	43	-2.0	-111.72	376.08	6.97	-104.75
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)=C1	REAL300000375170	0	43	-2.0	-117.74	379.64	7.07	-110.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000375171	1	46	-2.0	-115.02	388.54	7.56	-107.46
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000375172	0	44	-2.0	-112.73	382.62	6.60	-106.13
CC1=CC(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)=CC=C1C(=O)[O-]	REAL300000375173	1	43	-2.0	-100.62	370.61	6.93	-93.69
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CN(C(C)C)N=C2C=C1	REAL300000375174	1	43	-2.0	-111.54	374.56	7.20	-104.34
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=CC2=N1	REAL300000375175	0	40	-2.0	-116.92	358.26	6.41	-110.51
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000375176	1	43	-2.0	-105.67	379.54	7.05	-98.62
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC2=N1	REAL300000375177	0	39	-2.0	-110.61	351.60	4.45	-106.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=CN(C(C)C)N=C2C=C1	REAL300000375178	0	44	-2.0	-104.72	382.81	6.18	-98.54
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=CC2=N1	REAL300000375179	0	37	-2.0	-100.74	354.75	5.36	-95.38
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=CC2=N1	REAL300000375180	1	47	-2.0	-107.10	400.73	8.25	-98.85
CC(C)N1C=C2C=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=CC2=N1	REAL300000375181	1	47	-2.0	-110.15	400.04	8.25	-101.90
CCC1=C(S(=O)(=O)[N-]C2=CC3=CN(C(C)C)N=C3C=C2)C=C(C(=O)[O-])O1	REAL300000375182	0	43	-2.0	-106.92	376.74	6.37	-100.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C(F)(F)OC2=CC=CC=C2)C=C1	REAL300000375183	0	35	-3.0	-197.47	345.93	3.88	-193.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)C(F)(F)OC2=CC=CC=C2)=C1	REAL300000375184	0	35	-3.0	-215.62	345.94	3.87	-211.75
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)C(F)(F)OC2=CC=CC=C2)=C1	REAL300000375185	0	32	-3.0	-206.68	339.13	2.89	-203.79
CN1C=C(S(=O)(=O)[N-][N-]C(=O)C(F)(F)OC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000375186	0	36	-3.0	-212.83	352.59	3.22	-209.61
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C(F)(F)OC2=CC=CC=C2)=CS1	REAL300000375187	0	32	-3.0	-208.97	337.59	2.89	-206.08
CC1=C(S(=O)(=O)[N-][N-]C(=O)C(F)(F)OC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000375188	0	35	-3.0	-202.31	348.95	3.00	-199.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C(F)(F)OC2=CC=CC=C2)S1	REAL300000375189	0	32	-3.0	-199.53	338.21	2.99	-196.54
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C(F)(F)OC2=CC=CC=C2)=C1	REAL300000375190	0	34	-3.0	-208.75	342.93	1.92	-206.83
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375191	0	42	-2.0	-129.09	382.75	5.01	-124.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C1OC	REAL300000375192	0	41	-2.0	-123.81	363.88	4.20	-119.61
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3CC2)=C1OC	REAL300000375193	1	44	-2.0	-126.39	382.45	6.76	-119.63
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1OC	REAL300000375194	0	36	-2.0	-134.07	336.47	4.62	-129.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1OC	REAL300000375195	0	38	-3.0	-178.46	361.43	4.07	-174.39
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1OC	REAL300000375195	1	39	-2.0	-96.52	361.43	4.01	-92.51
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1OC	REAL300000375196	0	35	-2.0	-114.24	339.83	2.98	-111.26
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C1OC	REAL300000375197	0	37	-2.0	-121.78	348.81	4.74	-117.04
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=C1OC	REAL300000375198	0	37	-2.0	-116.78	348.78	4.75	-112.03
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1OC	REAL300000375199	0	36	-2.0	-121.11	350.19	4.93	-116.18
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=C1OC	REAL300000375200	0	37	-2.0	-132.37	346.05	4.63	-127.74
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1OC	REAL300000375201	0	38	-3.0	-191.29	360.96	4.94	-186.35
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1OC	REAL300000375201	1	39	-2.0	-98.12	360.93	4.89	-93.23
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)=C1OC	REAL300000375202	0	41	-2.0	-122.44	372.17	5.55	-116.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)NN=C2C)=C1OC	REAL300000375203	0	39	-2.0	-118.34	344.22	2.19	-116.15
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1OC	REAL300000375204	0	46	-2.0	-127.93	390.69	6.84	-121.09
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1OC	REAL300000375205	0	38	-3.0	-178.24	356.42	4.92	-173.32
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1OC	REAL300000375205	1	39	-2.0	-107.45	355.25	4.90	-102.55
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375206	0	44	-2.0	-135.16	385.71	3.43	-131.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1OC	REAL300000375207	0	44	-2.0	-123.29	386.69	3.56	-119.73
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1OC	REAL300000375208	0	43	-2.0	-127.97	373.52	6.26	-121.71
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)ON=C2C)=C1OC	REAL300000375209	0	38	-2.0	-112.71	342.89	3.27	-109.44
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1OC	REAL300000375210	0	38	-3.0	-195.61	356.43	4.91	-190.70
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1OC	REAL300000375210	1	39	-2.0	-98.52	356.46	4.86	-93.66
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1OC	REAL300000375211	0	36	-2.0	-113.87	340.66	4.47	-109.40
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2)=C1OC	REAL300000375212	0	39	-2.0	-127.03	349.39	5.02	-122.01
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C=CC2=CC=CC=C2)=C1OC	REAL300000375213	1	40	-2.0	-123.37	359.87	5.53	-117.84
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1OC	REAL300000375214	0	36	-2.0	-121.98	344.69	4.87	-117.11
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)=C1OC	REAL300000375215	0	41	-2.0	-123.61	368.43	4.75	-118.86
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2C)=C1OC	REAL300000375216	0	42	-2.0	-127.42	364.86	5.78	-121.64
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)=C1OC	REAL300000375217	0	42	-2.0	-127.97	366.38	5.56	-122.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1OC	REAL300000375218	0	36	-2.0	-114.34	350.55	4.92	-109.42
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)=C1OC	REAL300000375219	0	41	-2.0	-136.83	370.74	4.83	-132.00
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2C)=C1OC	REAL300000375220	0	42	-2.0	-126.58	364.86	5.78	-120.80
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375221	0	42	-2.0	-139.16	373.21	5.74	-133.42
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=C1OC	REAL300000375222	0	48	-2.0	-125.26	404.17	6.68	-118.58
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)C)C=C2)=C1OC	REAL300000375223	0	45	-2.0	-125.27	388.21	6.28	-118.99
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300000375224	0	48	-2.0	-125.05	406.65	6.95	-118.10
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1OC	REAL300000375225	0	33	-2.0	-116.87	336.95	3.97	-112.90
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300000375226	0	45	-2.0	-125.22	392.36	6.58	-118.64
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375227	0	40	-2.0	-133.67	356.22	4.14	-129.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1OC	REAL300000375228	0	41	-3.0	-196.15	372.45	5.45	-190.70
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1OC	REAL300000375228	1	42	-2.0	-135.49	372.28	5.39	-130.10
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1OC	REAL300000375229	0	36	-2.0	-117.42	346.02	4.54	-112.88
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1OC	REAL300000375230	0	36	-2.0	-126.43	341.10	4.91	-121.52
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1OC	REAL300000375231	0	38	-2.0	-122.20	356.18	5.02	-117.18
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)=C1OC	REAL300000375232	0	41	-2.0	-123.25	371.67	5.79	-117.46
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CS2)=C1OC	REAL300000375233	0	33	-2.0	-123.48	319.89	3.36	-120.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300000375234	0	40	-2.0	-123.22	357.45	3.65	-119.57
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1OC	REAL300000375235	0	38	-2.0	-135.86	347.55	5.70	-130.16
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2)=C1OC	REAL300000375236	0	39	-2.0	-126.20	349.37	5.03	-121.17
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300000375237	0	43	-2.0	-122.81	379.30	4.58	-118.23
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1OC	REAL300000375238	0	36	-2.0	-120.23	339.87	4.47	-115.76
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1OC	REAL300000375239	0	36	-2.0	-122.09	334.37	4.42	-117.67
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1OC	REAL300000375240	0	36	-2.0	-114.98	340.78	4.49	-110.49
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)=C1OC	REAL300000375241	0	48	-2.0	-126.39	391.48	7.03	-119.36
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1OC	REAL300000375242	0	42	-2.0	-125.45	372.45	3.51	-121.94
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C=C2C)=C1OC	REAL300000375243	0	45	-2.0	-125.70	379.52	6.70	-119.00
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1OC	REAL300000375244	0	36	-2.0	-118.38	344.70	4.87	-113.51
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1OC	REAL300000375245	0	38	-2.0	-111.92	356.20	5.03	-106.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1OC	REAL300000375246	0	36	-2.0	-126.19	327.96	4.35	-121.84
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2)=C1OC	REAL300000375247	0	43	-2.0	-131.59	384.33	3.25	-128.34
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)S2)=C1OC	REAL300000375248	0	36	-2.0	-124.67	341.79	4.15	-120.52
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1OC	REAL300000375249	0	38	-3.0	-194.14	361.89	4.98	-189.16
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=C1OC	REAL300000375250	0	41	-2.0	-118.75	366.21	5.62	-113.13
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1OC	REAL300000375251	0	36	-2.0	-124.73	339.86	4.47	-120.26
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1OC	REAL300000375252	0	40	-2.0	-119.62	363.71	1.17	-118.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(SC)C=C2)=C1OC	REAL300000375253	0	40	-2.0	-123.04	368.16	5.38	-117.66
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1OC	REAL300000375254	0	41	-2.0	-121.24	369.98	2.81	-118.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1OC	REAL300000375255	0	35	-3.0	-187.27	349.62	3.93	-183.34
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1OC	REAL300000375256	0	39	-2.0	-118.75	359.70	1.86	-116.89
COC(=O)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375257	0	38	-2.0	-118.17	346.64	2.93	-115.24
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1OC	REAL300000375258	0	41	-3.0	-198.06	371.86	5.70	-192.36
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1OC	REAL300000375258	1	42	-2.0	-133.43	367.07	5.56	-127.87
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)=C1OC	REAL300000375259	0	42	-2.0	-122.48	365.57	3.43	-119.05
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300000375260	0	42	-2.0	-119.44	382.73	5.02	-114.42
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300000375261	0	43	-2.0	-123.94	384.39	2.63	-121.31
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=C1OC	REAL300000375262	0	40	-2.0	-123.92	362.47	1.13	-122.79
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300000375263	0	42	-2.0	-125.64	370.87	5.80	-119.84
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1OC	REAL300000375264	0	42	-2.0	-128.74	373.90	6.63	-122.11
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300000375265	0	46	-2.0	-124.26	404.53	4.87	-119.39
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C(C)=C1	REAL300000375266	0	46	-2.0	-121.76	387.06	5.26	-116.50
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CC(C)C)C=C2)=C1OC	REAL300000375267	0	48	-2.0	-125.63	409.17	7.04	-118.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1OC	REAL300000375268	0	36	-2.0	-117.55	334.38	4.42	-113.13
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1OC	REAL300000375269	0	36	-2.0	-130.16	333.46	4.41	-125.75
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375270	0	42	-2.0	-138.91	380.84	2.93	-135.98
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300000375271	0	46	-2.0	-122.26	400.81	5.38	-116.88
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)=C1OC	REAL300000375272	0	39	-2.0	-126.14	362.51	5.57	-120.57
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C)=C1OC	REAL300000375273	0	39	-2.0	-117.87	349.85	5.18	-112.69
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1OC	REAL300000375274	0	36	-2.0	-117.17	347.49	4.98	-112.19
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1OC	REAL300000375276	0	39	-3.0	-192.30	363.08	4.26	-188.04
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=C1OC	REAL300000375277	0	36	-2.0	-131.61	345.43	3.92	-127.69
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=C1OC	REAL300000375278	0	41	-2.0	-122.05	369.91	0.51	-121.54
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1F	REAL300000375279	0	40	-2.0	-120.43	363.67	3.73	-116.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1C	REAL300000375280	0	43	-2.0	-124.28	377.53	4.40	-119.88
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1C	REAL300000375281	0	46	-2.0	-123.88	399.40	5.32	-118.56
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)=C1OC	REAL300000375282	0	43	-2.0	-119.24	378.55	1.81	-117.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2)=C1OC	REAL300000375283	0	36	-2.0	-120.53	332.51	2.06	-118.47
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)=C1OC	REAL300000375284	0	41	-2.0	-112.26	371.68	5.79	-106.47
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CC=C2)=C1OC	REAL300000375285	0	42	-2.0	-122.16	372.59	5.91	-116.25
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=CN1C	REAL300000375286	0	44	-2.0	-122.57	391.85	2.00	-120.57
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)=C1OC	REAL300000375287	0	39	-2.0	-122.73	360.18	5.64	-117.09
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C1OC	REAL300000375288	0	43	-2.0	-116.66	387.47	4.77	-111.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(OC)C(C)=C2)=C1OC	REAL300000375289	0	46	-2.0	-123.86	401.54	5.24	-118.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=C1OC	REAL300000375290	0	37	-2.0	-113.00	364.17	5.16	-107.84
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=C1OC	REAL300000375291	0	37	-2.0	-113.70	364.17	5.16	-108.54
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C1OC	REAL300000375292	0	40	-2.0	-129.35	366.33	4.72	-124.63
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)=C1OC	REAL300000375293	0	39	-2.0	-122.74	363.43	5.47	-117.27
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1OC	REAL300000375294	0	36	-2.0	-125.68	349.63	4.92	-120.76
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=C1OC	REAL300000375295	0	39	-2.0	-122.49	354.68	5.06	-117.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)=C1OC	REAL300000375296	0	39	-2.0	-118.74	360.18	5.62	-113.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=C1OC	REAL300000375297	0	39	-2.0	-130.54	354.88	5.07	-125.47
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C)=C1OC	REAL300000375298	0	39	-2.0	-122.98	349.85	5.18	-117.80
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C1OC	REAL300000375299	0	42	-2.0	-124.09	388.01	6.42	-117.67
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=C1OC	REAL300000375300	0	41	-2.0	-138.19	366.36	6.71	-131.48
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1OC	REAL300000375301	0	35	-3.0	-189.47	348.08	3.95	-185.52
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C(C)=C1	REAL300000375302	0	43	-2.0	-123.41	372.92	4.43	-118.98
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1C	REAL300000375303	0	46	-2.0	-125.35	392.57	5.17	-120.18
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2O)=C1OC	REAL300000375304	0	40	-2.0	-129.56	359.15	2.71	-126.85
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2)=C1OC	REAL300000375305	0	33	-2.0	-117.53	309.54	0.74	-116.79
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C1OC	REAL300000375306	0	40	-2.0	-115.62	365.77	4.72	-110.90
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1OC	REAL300000375307	0	36	-2.0	-122.52	342.88	4.69	-117.83
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1OC	REAL300000375308	0	38	-3.0	-186.42	359.43	4.06	-182.36
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1OC	REAL300000375309	0	39	-2.0	-146.82	356.16	3.55	-143.27
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375310	0	46	-2.0	-135.72	399.49	5.72	-130.00
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1OC	REAL300000375311	0	35	-2.0	-114.56	329.37	2.63	-111.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=C1OC	REAL300000375312	0	41	-2.0	-126.93	364.12	4.78	-122.15
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C=N2)=C1OC	REAL300000375313	0	36	-2.0	-132.49	331.98	3.44	-129.05
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C(C)=C1	REAL300000375314	0	46	-2.0	-122.99	394.78	5.34	-117.65
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)=C1OC	REAL300000375315	0	40	-2.0	-112.46	367.72	1.33	-111.13
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=C1OC	REAL300000375316	0	36	-2.0	-111.99	343.91	2.87	-109.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1OC	REAL300000375317	0	36	-2.0	-126.41	339.73	4.48	-121.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1OC	REAL300000375318	0	42	-2.0	-131.75	371.10	3.99	-127.76
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(C)=N2)=C1OC	REAL300000375319	0	39	-2.0	-133.82	351.66	3.23	-130.59
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=N1	REAL300000375320	0	39	-2.0	-120.83	354.04	2.91	-117.92
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375321	0	43	-2.0	-128.26	383.03	4.08	-124.18
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1OC	REAL300000375322	0	41	-2.0	-123.70	363.94	3.65	-120.05
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1OC	REAL300000375323	0	36	-2.0	-121.50	347.50	4.97	-116.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOCC(F)(F)F)=C1OC	REAL300000375324	0	39	-2.0	-115.67	366.28	2.59	-113.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OC(C)CC3=C2)=C1OC	REAL300000375325	0	44	-2.0	-124.05	384.88	4.95	-119.10
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2C)=C1OC	REAL300000375326	0	36	-2.0	-118.42	328.37	1.39	-117.03
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375327	0	40	-2.0	-127.92	357.46	3.65	-124.27
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C)=C1OC	REAL300000375328	0	39	-2.0	-126.42	343.45	5.12	-121.30
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2CC2)=C1OC	REAL300000375329	1	33	-2.0	-122.60	300.60	2.96	-119.64
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=NN(C)C=C2)=C1OC	REAL300000375330	0	36	-2.0	-130.41	332.98	1.88	-128.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C)=C1OC	REAL300000375331	0	36	-2.0	-115.03	328.21	1.97	-113.06
COCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375332	0	36	-2.0	-117.09	324.85	1.17	-115.92
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2CCCO2)=C1OC	REAL300000375333	0	40	-2.0	-128.98	347.32	2.56	-126.42
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2CCCCO2)=C1OC	REAL300000375334	0	43	-2.0	-127.19	364.82	3.65	-123.54
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2F)=C1OC	REAL300000375337	0	39	-2.0	-129.64	354.88	5.08	-124.56
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)=C1OC	REAL300000375338	0	39	-2.0	-118.16	354.68	5.05	-113.11
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC=N2)=C1OC	REAL300000375339	0	33	-2.0	-130.90	309.27	1.75	-129.15
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)O1	REAL300000375340	0	39	-2.0	-116.69	367.51	3.14	-113.55
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1OC	REAL300000375341	0	41	-2.0	-142.74	367.90	4.98	-137.76
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1OC	REAL300000375342	0	36	-2.0	-115.31	346.18	4.53	-110.78
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)=C1OC	REAL300000375343	0	38	-2.0	-115.09	358.62	3.57	-111.52
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375344	0	42	-2.0	-133.39	386.13	1.94	-131.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C(C)=C1C	REAL300000375345	0	46	-2.0	-124.69	388.60	5.03	-119.66
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)=C1OC	REAL300000375347	0	48	-2.0	-122.59	406.06	5.00	-117.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CS2)=C1OC	REAL300000375348	0	36	-2.0	-124.25	335.69	4.17	-120.08
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1C	REAL300000375349	0	45	-2.0	-122.42	387.40	4.30	-118.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)=C1OC	REAL300000375350	0	41	-2.0	-112.60	372.18	5.54	-107.06
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)=C1OC	REAL300000375353	0	40	-2.0	-122.53	364.24	5.51	-117.02
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)=C1OC	REAL300000375354	0	48	-2.0	-124.91	375.57	6.43	-118.48
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)=C1OC	REAL300000375355	0	40	-2.0	-117.12	364.21	5.51	-111.61
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375356	0	48	-2.0	-124.38	389.83	7.80	-116.58
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=C1OC	REAL300000375358	0	37	-2.0	-119.49	354.26	4.81	-114.68
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)=C1OC	REAL300000375359	0	41	-2.0	-121.72	371.61	2.01	-119.71
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=C1OC	REAL300000375360	0	42	-2.0	-120.96	372.72	3.43	-117.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1OC	REAL300000375362	0	41	-2.0	-125.61	368.94	4.73	-120.88
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=N1	REAL300000375363	0	42	-2.0	-126.33	387.34	3.12	-123.21
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=C1OC	REAL300000375364	0	42	-2.0	-130.78	371.77	2.79	-127.99
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1OC	REAL300000375367	0	36	-2.0	-108.00	346.96	4.54	-103.46
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOC(C)C)=C1OC	REAL300000375368	0	42	-2.0	-117.85	366.98	2.88	-114.97
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=CN1C	REAL300000375369	0	43	-2.0	-127.55	389.13	4.45	-123.10
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1OC	REAL300000375370	0	38	-3.0	-176.60	360.94	4.95	-171.65
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1OC	REAL300000375370	1	39	-2.0	-109.80	360.79	4.89	-104.91
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)=C1OC	REAL300000375371	0	42	-2.0	-119.01	375.00	5.69	-113.32
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1OC	REAL300000375372	0	35	-3.0	-180.12	348.68	4.04	-176.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=C1OC	REAL300000375373	0	45	-2.0	-132.17	392.50	5.32	-126.85
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1OC	REAL300000375374	0	38	-3.0	-183.67	362.84	4.98	-178.69
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=CN1	REAL300000375375	0	40	-2.0	-123.97	371.36	2.69	-121.28
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1OC	REAL300000375376	0	38	-3.0	-178.01	361.89	4.98	-173.03
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C)=C1OC	REAL300000375377	0	39	-2.0	-121.34	348.35	5.17	-116.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N=C(C)S2)=C1OC	REAL300000375378	0	38	-2.0	-120.44	352.24	2.95	-117.49
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=C1OC	REAL300000375379	0	40	-2.0	-131.55	370.22	5.53	-126.02
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375380	0	42	-2.0	-127.51	370.86	5.79	-121.72
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)=C1OC	REAL300000375381	0	39	-2.0	-122.15	355.79	5.09	-117.06
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC(C)(C)C)=C1OC	REAL300000375382	1	44	-2.0	-121.99	367.91	4.58	-117.41
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375383	0	42	-2.0	-118.23	385.86	3.81	-114.42
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)=C1OC	REAL300000375384	0	39	-2.0	-120.54	360.18	5.11	-115.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1OC	REAL300000375385	0	42	-2.0	-135.20	369.01	6.67	-128.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1OC	REAL300000375386	0	38	-2.0	-121.60	359.95	3.83	-117.77
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1OC	REAL300000375387	0	39	-3.0	-196.99	366.14	2.62	-194.37
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1OC	REAL300000375388	0	46	-2.0	-130.92	383.26	6.99	-123.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1OC	REAL300000375389	0	41	-3.0	-184.93	378.60	5.70	-179.23
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1OC	REAL300000375389	1	42	-2.0	-107.42	377.50	5.68	-101.74
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)O1	REAL300000375390	0	42	-2.0	-116.87	389.37	4.07	-112.80
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)SC=C1	REAL300000375392	0	37	-2.0	-135.11	350.13	2.63	-132.48
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1OC	REAL300000375393	0	39	-2.0	-125.99	357.73	4.75	-121.24
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=C1OC	REAL300000375394	0	36	-2.0	-112.40	344.01	3.26	-109.14
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=C1OC	REAL300000375395	0	36	-2.0	-126.46	348.31	3.17	-123.29
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=CC(OC)=C1	REAL300000375396	0	44	-2.0	-128.31	386.96	2.96	-125.35
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1OC	REAL300000375397	0	37	-2.0	-128.23	343.81	3.09	-125.14
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=C1OC	REAL300000375398	0	37	-2.0	-115.03	350.18	2.19	-112.84
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(C)S2)=C1OC	REAL300000375399	0	35	-2.0	-120.28	336.49	2.17	-118.11
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1OC	REAL300000375400	0	41	-3.0	-189.23	366.46	5.56	-183.67
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1OC	REAL300000375400	1	42	-2.0	-97.60	361.95	5.42	-92.18
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375401	0	43	-2.0	-119.97	380.34	1.39	-118.58
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1OC	REAL300000375402	0	41	-3.0	-178.85	371.84	5.69	-173.16
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1OC	REAL300000375402	1	42	-2.0	-107.63	367.04	5.55	-102.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)=C1OC	REAL300000375403	0	37	-2.0	-121.64	357.26	5.02	-116.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)=C1OC	REAL300000375404	0	39	-2.0	-124.61	360.18	5.12	-119.49
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1CC	REAL300000375405	0	48	-2.0	-127.81	405.03	6.92	-120.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2CC2)=C1OC	REAL300000375406	1	39	-2.0	-121.25	344.30	4.46	-116.79
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=C1OC	REAL300000375407	0	42	-2.0	-131.79	373.41	4.73	-127.06
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=N1	REAL300000375408	0	41	-2.0	-114.48	378.70	3.18	-111.30
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375409	0	44	-2.0	-136.67	391.05	5.62	-131.05
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=N1	REAL300000375410	0	43	-2.0	-118.84	387.72	1.96	-116.88
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)=C1OC	REAL300000375412	0	40	-2.0	-133.28	365.23	5.14	-128.14
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=C1OC	REAL300000375413	0	45	-2.0	-124.97	400.96	6.00	-118.97
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375414	0	42	-2.0	-131.87	375.29	5.10	-126.77
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1OC	REAL300000375415	0	44	-2.0	-119.28	386.00	2.10	-117.18
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=C1OC	REAL300000375416	0	39	-2.0	-131.15	353.78	5.06	-126.09
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=N1	REAL300000375417	0	42	-2.0	-116.86	376.99	1.98	-114.88
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1OC	REAL300000375418	0	43	-2.0	-134.52	373.91	4.38	-130.14
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300000375419	0	43	-2.0	-125.41	383.04	4.09	-121.32
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375420	0	41	-2.0	-130.28	367.24	1.33	-128.95
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)=C1OC	REAL300000375421	0	39	-2.0	-127.47	359.83	5.48	-121.99
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)OC(C)=C2)=C1OC	REAL300000375423	0	39	-2.0	-123.36	350.91	3.93	-119.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=C1OC	REAL300000375424	0	44	-2.0	-125.10	381.68	4.98	-120.12
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375425	0	43	-2.0	-124.54	374.58	4.38	-120.16
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)C=C2)=C1OC	REAL300000375426	0	46	-2.0	-122.81	397.23	5.20	-117.61
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)O2)=C1OC	REAL300000375427	0	36	-2.0	-123.57	332.56	3.16	-120.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(C)S2)=C1OC	REAL300000375428	0	39	-2.0	-125.74	360.18	4.71	-121.03
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1OC	REAL300000375429	0	39	-2.0	-121.02	354.02	3.01	-118.01
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1OC	REAL300000375430	0	36	-2.0	-115.45	351.12	4.94	-110.51
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C(C)O1	REAL300000375431	0	42	-2.0	-119.08	385.83	3.91	-115.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1OC	REAL300000375432	0	35	-2.0	-114.88	339.71	3.05	-111.83
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)N=C1C	REAL300000375433	0	42	-2.0	-133.89	373.73	4.14	-129.75
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)=C1OC	REAL300000375434	0	39	-2.0	-127.01	362.51	5.57	-121.44
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1C(=O)[O-]	REAL300000375435	0	42	-3.0	-193.82	384.45	5.12	-188.70
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375436	0	39	-2.0	-121.57	367.85	3.10	-118.47
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375437	0	48	-2.0	-123.92	407.45	4.91	-119.01
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1OC	REAL300000375438	0	36	-2.0	-130.12	344.01	5.14	-124.98
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)=C1OC	REAL300000375439	0	38	-2.0	-122.50	357.86	3.67	-118.83
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375440	0	41	-2.0	-123.41	377.00	4.54	-118.87
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)S1	REAL300000375441	0	38	-2.0	-119.95	357.97	2.94	-117.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C(C)=C1F	REAL300000375442	0	43	-2.0	-119.74	378.05	4.46	-115.28
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=C1OC	REAL300000375443	0	37	-2.0	-116.39	361.85	5.31	-111.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1OC	REAL300000375444	0	39	-2.0	-134.85	355.89	4.67	-130.18
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375445	0	41	-2.0	-120.08	377.92	3.21	-116.87
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C=C2OC)=C1OC	REAL300000375446	0	46	-2.0	-133.40	391.51	6.11	-127.29
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2CCCOC2)=C1OC	REAL300000375447	0	43	-2.0	-124.78	361.11	3.14	-121.64
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(N(C)C)C=C2)=C1OC	REAL300000375448	0	44	-2.0	-128.06	380.48	4.78	-123.28
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CS2)=C1OC	REAL300000375449	0	39	-2.0	-120.92	362.82	5.01	-115.91
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)=C1OC	REAL300000375450	0	36	-2.0	-117.48	356.95	4.57	-112.91
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1OC	REAL300000375451	0	39	-2.0	-124.90	360.15	5.22	-119.68
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1OC	REAL300000375452	0	39	-2.0	-119.44	367.04	3.20	-116.24
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2SC)=C1OC	REAL300000375453	0	40	-2.0	-132.75	364.05	5.41	-127.34
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)C)=C1OC	REAL300000375454	0	45	-2.0	-129.84	381.96	6.35	-123.49
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=CC=C1F	REAL300000375455	0	40	-2.0	-116.85	363.68	3.73	-113.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1OC	REAL300000375456	0	35	-2.0	-130.19	340.66	4.76	-125.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CO2)=C1OC	REAL300000375457	0	33	-2.0	-122.41	310.65	2.33	-120.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=NN2C)=C1OC	REAL300000375458	0	35	-2.0	-109.58	322.37	0.77	-108.81
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=C1OC	REAL300000375459	0	41	-2.0	-117.94	372.32	3.48	-114.46
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1OC	REAL300000375460	0	35	-2.0	-114.47	349.13	4.12	-110.35
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1OC	REAL300000375461	0	40	-2.0	-126.98	356.09	3.79	-123.19
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=C1OC	REAL300000375462	0	37	-2.0	-121.21	361.88	5.31	-115.90
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375463	0	42	-2.0	-125.06	350.49	5.84	-119.22
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=C(OC)C(OC)=CC(C(=O)[O-])=C1	REAL300000375464	0	44	-2.0	-140.51	381.94	4.86	-135.65
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCCCCl)=C1OC	REAL300000375465	1	38	-2.0	-119.27	351.33	4.29	-114.98
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2F)=C1OC	REAL300000375466	0	39	-2.0	-130.74	347.56	5.33	-125.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1OC	REAL300000375467	0	40	-2.0	-138.10	366.35	4.41	-133.69
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC(C)(C)C#N)=C1OC	REAL300000375468	1	42	-2.0	-122.40	367.20	4.20	-118.20
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1OC	REAL300000375469	0	37	-2.0	-131.41	352.74	2.65	-128.76
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375470	0	39	-2.0	-120.84	352.54	1.82	-119.02
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=C(C=C2C)OCO3)=C1OC	REAL300000375471	0	42	-2.0	-121.87	369.46	3.79	-118.08
CCCC(CC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375472	1	44	-2.0	-125.51	367.03	5.12	-120.39
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2=CC=CC(Cl)=C2)=C1OC	REAL300000375473	0	39	-2.0	-122.05	367.82	5.64	-116.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=C1OC	REAL300000375474	0	40	-2.0	-113.88	352.98	5.51	-108.37
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=C1OC	REAL300000375475	0	40	-2.0	-131.76	370.20	5.52	-126.24
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(F)C=C2C)=C1OC	REAL300000375476	0	42	-2.0	-117.15	364.62	6.14	-111.01
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)ON=C2N)=C1OC	REAL300000375477	0	37	-2.0	-112.57	335.50	1.73	-110.84
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1OC	REAL300000375478	0	37	-2.0	-118.95	355.46	3.12	-115.83
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)=C1OC	REAL300000375479	0	47	-2.0	-125.92	409.21	5.15	-120.77
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375480	0	43	-2.0	-128.68	372.93	4.42	-124.26
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CCCCC2)=C1OC	REAL300000375481	1	40	-2.0	-124.27	343.33	4.64	-119.63
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=C1OC	REAL300000375482	0	34	-2.0	-114.41	340.49	3.90	-110.51
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2)=C1OC	REAL300000375483	0	38	-2.0	-121.58	344.57	3.17	-118.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1OC	REAL300000375484	0	41	-2.0	-123.99	369.14	4.71	-119.28
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)=C1OC	REAL300000375485	0	40	-2.0	-116.59	367.93	5.24	-111.35
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1OC	REAL300000375486	0	35	-2.0	-108.39	345.70	3.03	-105.36
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(C)OC)=C1OC	REAL300000375487	0	39	-2.0	-124.38	343.51	2.33	-122.05
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C(F)=C1	REAL300000375488	0	40	-2.0	-126.17	362.95	3.72	-122.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1OC	REAL300000375489	0	42	-2.0	-124.13	373.67	4.87	-119.26
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1OC	REAL300000375490	0	39	-2.0	-122.11	360.16	5.22	-116.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=NN2C)=C1OC	REAL300000375492	0	39	-2.0	-116.07	344.83	2.81	-113.26
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CC(Cl)=C2)=C1OC	REAL300000375493	0	42	-2.0	-120.61	389.32	6.41	-114.20
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=C1OC	REAL300000375494	0	34	-2.0	-114.33	331.87	2.89	-111.44
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC=C2)=C1OC	REAL300000375495	0	33	-2.0	-121.36	319.06	3.26	-118.10
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=COC=C2)=C1OC	REAL300000375496	0	33	-2.0	-121.24	310.50	2.24	-119.00
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1OC	REAL300000375497	0	41	-3.0	-180.26	376.48	5.56	-174.70
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1OC	REAL300000375497	1	42	-2.0	-103.23	372.86	5.44	-97.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=N1	REAL300000375498	0	39	-2.0	-116.98	355.14	1.05	-115.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1OC	REAL300000375499	0	36	-2.0	-124.70	350.19	4.93	-119.77
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375500	0	47	-2.0	-127.12	406.55	5.50	-121.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C1OC	REAL300000375501	0	39	-2.0	-127.20	364.48	5.72	-121.48
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1OC	REAL300000375502	0	39	-2.0	-130.16	354.57	2.98	-127.18
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375503	0	43	-2.0	-127.92	379.31	4.58	-123.34
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375504	0	42	-2.0	-151.24	372.36	1.95	-149.29
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1OC	REAL300000375505	0	33	-2.0	-125.03	335.94	3.80	-121.23
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CS2)=C1OC	REAL300000375506	0	36	-2.0	-123.57	341.53	4.02	-119.55
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1OC	REAL300000375507	0	33	-2.0	-117.59	326.25	1.16	-116.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1OC	REAL300000375508	0	35	-2.0	-116.45	334.86	2.47	-113.98
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=C1OC	REAL300000375509	0	45	-2.0	-118.62	392.50	3.41	-115.21
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=C1OC	REAL300000375510	0	45	-2.0	-117.40	397.14	2.90	-114.50
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C1OC	REAL300000375511	0	44	-2.0	-122.83	388.50	5.32	-117.51
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1OC	REAL300000375512	0	39	-2.0	-119.51	364.15	4.82	-114.69
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375513	0	41	-2.0	-133.52	369.12	3.93	-129.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=NS2)=C1OC	REAL300000375514	0	35	-2.0	-115.97	336.46	2.65	-113.32
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC(=O)S2)=C1OC	REAL300000375515	0	33	-2.0	-114.13	324.80	0.24	-113.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1OC	REAL300000375516	0	40	-2.0	-152.80	359.11	1.63	-151.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1OC	REAL300000375517	0	43	-2.0	-125.25	377.19	6.46	-118.79
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1OC	REAL300000375518	0	33	-2.0	-128.23	326.24	3.39	-124.84
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=C1OC	REAL300000375519	0	37	-2.0	-112.89	354.67	4.79	-108.10
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(OC)C2=CC=CC=C2)=C1OC	REAL300000375520	0	46	-2.0	-125.33	402.73	5.44	-119.89
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)CC1	REAL300000375521	0	40	-2.0	-128.67	341.31	3.19	-125.48
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)N=S(C)(C)=O)=C1OC	REAL300000375522	0	36	-2.0	-149.63	333.32	0.29	-149.34
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=NC=CN2)=C1OC	REAL300000375523	0	33	-2.0	-123.80	309.59	0.93	-122.87
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1OC	REAL300000375524	0	41	-2.0	-130.28	364.96	1.26	-129.02
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(C)S2)=C1OC	REAL300000375525	0	39	-2.0	-126.00	358.08	4.98	-121.02
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1OC	REAL300000375526	0	37	-2.0	-112.19	351.34	3.21	-108.98
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)=C1OC	REAL300000375527	0	38	-2.0	-113.86	355.52	3.74	-110.12
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)CC1	REAL300000375530	0	45	-2.0	-135.09	394.40	5.75	-129.34
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2)=C1OC	REAL300000375531	0	39	-2.0	-122.45	348.63	2.58	-119.87
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300000375532	0	40	-2.0	-125.93	359.04	5.44	-120.49
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C)=C1OC	REAL300000375533	0	39	-2.0	-121.58	351.34	2.71	-118.87
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=C1OC	REAL300000375534	0	36	-2.0	-113.80	343.84	2.95	-110.85
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375535	0	44	-2.0	-118.70	376.25	4.33	-114.37
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCCCF)=C1OC	REAL300000375536	1	38	-2.0	-119.39	340.77	3.80	-115.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1OC	REAL300000375537	0	36	-2.0	-118.03	343.63	1.87	-116.16
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1OC	REAL300000375538	0	38	-3.0	-197.55	360.06	4.94	-192.61
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1OC	REAL300000375539	0	38	-2.0	-136.46	359.15	3.77	-132.69
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1OC	REAL300000375540	0	41	-2.0	-128.21	363.77	4.19	-124.02
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=C1OC	REAL300000375541	0	43	-2.0	-125.43	378.03	6.53	-118.90
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)=C1OC	REAL300000375542	0	39	-2.0	-126.43	355.09	5.85	-120.58
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1OC	REAL300000375543	0	41	-2.0	-136.22	364.27	4.17	-132.05
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC)OC	REAL300000375544	0	42	-2.0	-123.45	363.09	2.90	-120.55
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(CC(C)C)OC)=C1OC	REAL300000375545	0	48	-2.0	-124.55	398.30	3.93	-120.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOCC2CC2)=C1OC	REAL300000375546	0	43	-2.0	-117.59	378.38	3.71	-113.88
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=C(Cl)C=C2)=C1OC	REAL300000375547	0	42	-2.0	-119.07	389.32	6.43	-112.64
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)=C1OC	REAL300000375548	0	39	-2.0	-132.89	357.88	5.30	-127.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=C1OC	REAL300000375549	0	41	-2.0	-122.87	371.82	2.81	-120.06
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(OC)C2CC2)=C1OC	REAL300000375550	0	43	-2.0	-127.38	369.21	4.16	-123.22
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375551	0	40	-2.0	-129.44	362.63	4.21	-125.23
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CON=C2C)=C1OC	REAL300000375552	0	35	-2.0	-112.86	324.92	2.30	-110.56
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)=C1OC	REAL300000375553	0	39	-2.0	-119.37	363.43	5.46	-113.91
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1OC	REAL300000375554	0	42	-2.0	-134.51	376.08	5.34	-129.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)N=S(C)(=O)N(C)C)=C1OC	REAL300000375555	0	41	-2.0	-138.15	369.62	0.30	-137.85
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1OC	REAL300000375556	0	35	-2.0	-125.80	328.47	2.53	-123.27
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2CCCCC2)=C1OC	REAL300000375557	1	48	-2.0	-121.79	393.38	6.09	-115.70
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2CCCC2)=C1OC	REAL300000375558	1	45	-2.0	-121.88	376.89	5.50	-116.38
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1OC	REAL300000375559	0	35	-2.0	-113.17	329.38	2.50	-110.67
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOCC2CCC2)=C1OC	REAL300000375560	0	46	-2.0	-117.70	394.96	4.26	-113.44
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=C1OC	REAL300000375561	0	34	-2.0	-127.08	338.36	3.76	-123.32
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(OC)C(C)C)=C1OC	REAL300000375563	0	45	-2.0	-124.11	381.56	3.39	-120.72
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1OC	REAL300000375564	0	36	-2.0	-114.74	350.55	4.92	-109.82
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1OC	REAL300000375565	0	44	-2.0	-136.61	380.15	5.56	-131.05
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=C(F)C=C2)=C1OC	REAL300000375567	0	42	-2.0	-119.23	379.00	5.98	-113.25
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CC=C2F)=C1OC	REAL300000375568	0	42	-2.0	-125.25	378.16	5.95	-119.30
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CC=C2Cl)=C1OC	REAL300000375569	0	42	-2.0	-124.24	385.27	6.29	-117.95
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)=C1OC	REAL300000375571	0	43	-2.0	-136.13	383.89	1.79	-134.34
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)=C1OC	REAL300000375572	0	39	-2.0	-124.61	356.37	1.05	-123.56
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)N(C)N=C1	REAL300000375573	0	42	-2.0	-123.41	377.20	3.43	-119.98
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC)C1CC1	REAL300000375574	0	46	-2.0	-125.26	391.39	4.70	-120.56
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(C)N2C)=C1OC	REAL300000375575	0	39	-2.0	-120.41	347.12	3.39	-117.02
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(OC)C2CCCC2)=C1OC	REAL300000375576	0	49	-2.0	-123.56	401.80	5.06	-118.50
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)O1	REAL300000375577	0	42	-2.0	-117.46	385.41	3.72	-113.74
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1OC	REAL300000375578	0	39	-2.0	-120.79	367.71	3.85	-116.94
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1OC	REAL300000375579	0	35	-2.0	-117.43	345.32	2.96	-114.47
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)=C1OC	REAL300000375580	0	39	-2.0	-126.31	360.05	5.13	-121.18
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)OC=C1	REAL300000375581	0	39	-2.0	-131.79	360.09	3.80	-127.99
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1OC	REAL300000375582	0	38	-2.0	-136.90	355.06	3.33	-133.57
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C(C)=N1	REAL300000375583	0	48	-2.0	-121.33	415.87	5.11	-116.22
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1OC	REAL300000375584	0	37	-3.0	-192.16	352.64	3.03	-189.13
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)=C1OC	REAL300000375585	0	40	-2.0	-124.73	355.04	4.35	-120.38
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=C1OC	REAL300000375586	0	37	-2.0	-114.57	355.23	4.81	-109.76
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1OC	REAL300000375587	0	38	-2.0	-120.74	351.24	3.39	-117.35
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1OC	REAL300000375587	1	38	-2.0	-136.48	351.13	3.54	-132.94
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1OC	REAL300000375588	0	40	-2.0	-132.06	361.70	4.31	-127.75
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=C1OC	REAL300000375589	0	46	-2.0	-120.38	388.96	4.46	-115.92
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=C1OC	REAL300000375590	0	48	-2.0	-120.45	391.46	4.83	-115.62
CCC(C)(C)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375591	1	47	-2.0	-122.23	382.14	5.09	-117.14
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1OC	REAL300000375592	0	46	-2.0	-121.01	395.37	4.70	-116.31
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2CC2C2=CC=CC(F)=C2)=C1OC	REAL300000375593	0	43	-2.0	-122.61	384.44	6.60	-116.01
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1OC	REAL300000375594	0	37	-2.0	-124.55	344.15	2.10	-122.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])=C1OC	REAL300000375594	1	36	-3.0	-210.74	340.58	2.96	-207.78
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300000375595	0	46	-2.0	-125.17	405.17	7.14	-118.03
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375596	0	39	-2.0	-138.45	358.97	2.00	-136.45
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375597	0	42	-2.0	-121.73	367.82	3.42	-118.31
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)=C1OC	REAL300000375598	0	41	-2.0	-123.04	375.25	4.92	-118.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C1OC	REAL300000375599	0	36	-2.0	-115.26	333.18	1.70	-113.56
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2C#N)=C1OC	REAL300000375600	0	40	-2.0	-131.02	367.43	5.29	-125.73
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)=C1OC	REAL300000375601	0	40	-2.0	-133.15	359.47	5.57	-127.58
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C=CC2=CC=CC(Cl)=C2)=C1OC	REAL300000375602	1	40	-2.0	-120.38	376.60	6.05	-114.33
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=C1OC	REAL300000375603	0	43	-2.0	-128.58	391.72	6.31	-122.27
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)=C1OC	REAL300000375604	0	42	-2.0	-118.15	374.96	6.56	-111.59
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375605	0	36	-2.0	-112.77	347.21	0.15	-112.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2CCCC(C)(C)O2)=C1OC	REAL300000375606	0	49	-2.0	-129.84	400.02	4.57	-125.27
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NS2)=C1OC	REAL300000375607	0	32	-2.0	-115.71	314.70	2.06	-113.65
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC(C)(C)C2CC2)=C1OC	REAL300000375608	1	48	-2.0	-122.49	391.62	5.85	-116.64
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C=CC2=CC=CC=C2Cl)=C1OC	REAL300000375609	1	40	-2.0	-125.07	374.11	5.96	-119.11
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)=C1OC	REAL300000375610	0	40	-2.0	-123.69	367.47	-0.04	-123.73
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375611	0	45	-2.0	-111.90	373.53	6.46	-105.44
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1OC	REAL300000375612	0	36	-2.0	-130.49	339.56	4.38	-126.11
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CC(F)=C2)=C1OC	REAL300000375613	0	42	-2.0	-120.94	379.00	5.97	-114.97
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1OC	REAL300000375614	0	41	-2.0	-133.87	364.21	4.86	-129.01
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375615	0	43	-2.0	-124.38	389.38	4.55	-119.83
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C1OC	REAL300000375616	0	37	-2.0	-125.67	353.80	4.77	-120.90
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=N2)=C1OC	REAL300000375617	0	35	-2.0	-124.27	326.76	0.67	-123.60
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1OC	REAL300000375618	0	43	-2.0	-121.04	377.86	4.03	-117.01
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1OC	REAL300000375619	0	43	-2.0	-118.22	375.25	4.23	-113.99
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1OC	REAL300000375620	0	46	-2.0	-118.15	397.17	4.97	-113.18
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1OC	REAL300000375621	0	43	-2.0	-124.97	372.33	4.38	-120.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)SC=C2C)=C1OC	REAL300000375622	0	39	-2.0	-120.58	350.86	5.06	-115.52
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=C1OC	REAL300000375623	0	44	-2.0	-137.59	385.39	4.94	-132.65
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1OC	REAL300000375624	0	33	-2.0	-121.38	333.39	3.78	-117.60
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)=C1OC	REAL300000375625	0	41	-2.0	-139.32	369.68	3.94	-135.38
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375626	0	38	-2.0	-109.21	343.19	1.69	-107.52
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1OC	REAL300000375628	0	37	-2.0	-112.29	342.84	3.14	-109.15
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1OC	REAL300000375629	0	39	-2.0	-126.78	366.80	5.77	-121.01
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=C1OC	REAL300000375630	0	43	-2.0	-116.60	379.91	4.07	-112.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)=C1OC	REAL300000375631	0	45	-2.0	-122.14	383.87	6.72	-115.42
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)=C1OC	REAL300000375632	0	44	-2.0	-130.25	378.04	4.13	-126.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1OC	REAL300000375633	0	39	-2.0	-126.54	357.74	4.63	-121.91
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=C1OC	REAL300000375634	0	43	-2.0	-124.89	383.26	4.26	-120.63
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1OC	REAL300000375635	0	39	-2.0	-133.02	357.40	3.55	-129.47
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=C1OC	REAL300000375636	0	41	-2.0	-141.95	372.51	2.75	-139.20
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=C1OC	REAL300000375637	0	43	-2.0	-126.71	368.64	6.32	-120.39
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)=C1OC	REAL300000375638	0	40	-2.0	-123.93	355.97	2.06	-121.87
COC1=NSC=C1S(=O)(=O)[N-]C1=C(OC)C(OC)=CC(C(=O)[O-])=C1	REAL300000375639	0	36	-2.0	-120.59	345.26	0.22	-120.37
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)NC=N2)=C1OC	REAL300000375640	0	36	-2.0	-131.67	327.08	2.45	-129.22
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1OC	REAL300000375642	0	39	-2.0	-122.62	361.68	4.74	-117.88
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=C1OC	REAL300000375643	0	46	-2.0	-125.19	399.48	4.76	-120.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1OC	REAL300000375644	0	33	-2.0	-121.33	333.77	3.89	-117.44
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1OC	REAL300000375645	0	46	-2.0	-121.42	401.96	4.99	-116.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1OC	REAL300000375646	0	40	-2.0	-131.05	366.09	5.46	-125.59
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375647	0	45	-2.0	-127.55	392.35	6.57	-120.98
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375648	0	42	-2.0	-113.04	383.25	2.76	-110.28
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=C1OC	REAL300000375649	0	37	-2.0	-126.67	352.49	4.70	-121.97
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=C1OC	REAL300000375650	0	43	-2.0	-121.19	373.66	3.89	-117.30
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C)=C1OC	REAL300000375652	0	42	-2.0	-125.59	358.09	6.03	-119.56
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=C1OC	REAL300000375653	0	45	-2.0	-115.09	374.96	4.26	-110.83
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=C1OC	REAL300000375654	0	45	-2.0	-122.17	392.46	4.06	-118.11
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1OC	REAL300000375655	0	43	-2.0	-121.90	376.54	3.45	-118.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=C1OC	REAL300000375656	0	47	-2.0	-121.27	402.23	5.17	-116.10
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1OC	REAL300000375657	0	39	-2.0	-125.18	355.96	5.17	-120.01
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=NN2C)=C1OC	REAL300000375658	0	39	-2.0	-115.51	349.13	2.62	-112.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C)=C1OC	REAL300000375660	0	42	-2.0	-127.24	360.46	5.65	-121.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1OC	REAL300000375661	0	39	-2.0	-135.25	345.16	5.53	-129.72
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=C1OC	REAL300000375662	0	37	-2.0	-122.26	360.57	5.21	-117.05
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1OC	REAL300000375663	0	43	-2.0	-127.48	377.18	6.46	-121.02
COC1=C(S(=O)(=O)[N-]C2=C(OC)C(OC)=CC(C(=O)[O-])=C2)C=CS1	REAL300000375664	0	37	-2.0	-129.58	350.22	2.79	-126.79
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1OC	REAL300000375665	0	43	-2.0	-128.15	382.68	6.51	-121.64
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1OC	REAL300000375666	0	46	-2.0	-118.87	392.78	4.94	-113.93
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375667	0	45	-2.0	-117.99	387.92	4.26	-113.73
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=C1OC	REAL300000375669	0	41	-2.0	-134.36	371.57	2.71	-131.65
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)O1	REAL300000375670	0	39	-2.0	-123.72	354.05	3.94	-119.78
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1OC	REAL300000375671	0	36	-2.0	-115.25	351.82	3.56	-111.69
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)S1	REAL300000375672	0	37	-2.0	-121.20	351.76	2.80	-118.40
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1OC	REAL300000375673	0	39	-2.0	-117.95	360.63	3.05	-114.90
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375674	0	46	-2.0	-128.52	404.89	5.04	-123.48
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1OC	REAL300000375675	0	39	-2.0	-129.18	348.53	5.31	-123.87
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1OC	REAL300000375676	0	39	-2.0	-128.32	354.97	4.71	-123.61
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1OC	REAL300000375677	0	38	-2.0	-126.29	358.90	3.75	-122.54
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=N1	REAL300000375678	0	38	-2.0	-120.51	348.68	1.21	-119.30
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1Cl	REAL300000375679	0	39	-2.0	-118.64	369.63	3.27	-115.37
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1OC	REAL300000375680	0	33	-2.0	-116.59	327.71	2.96	-113.63
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=C1OC	REAL300000375681	0	43	-2.0	-124.69	385.90	4.72	-119.97
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C=CC2=CC=C(F)C=C2)=C1OC	REAL300000375682	1	40	-2.0	-119.18	366.28	5.60	-113.58
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1OC	REAL300000375683	0	40	-2.0	-125.08	371.79	5.67	-119.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CO2)=C1OC	REAL300000375684	0	36	-2.0	-122.78	332.55	3.01	-119.77
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=NN1	REAL300000375685	0	42	-2.0	-121.23	388.33	2.14	-119.09
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1OC	REAL300000375686	0	35	-2.0	-107.99	345.59	2.99	-105.00
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=C1OC	REAL300000375687	0	42	-2.0	-120.91	371.37	4.35	-116.56
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=C1OC	REAL300000375688	0	43	-2.0	-132.31	381.68	6.12	-126.19
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=C1OC	REAL300000375689	0	36	-2.0	-118.32	347.82	2.40	-115.92
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C1OC	REAL300000375690	0	34	-2.0	-125.50	332.12	2.80	-122.70
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)=C1OC	REAL300000375691	0	38	-2.0	-115.07	355.71	3.74	-111.33
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C(C2CC2)=N1	REAL300000375692	0	46	-2.0	-125.14	404.77	5.15	-119.99
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)NC(=O)NC2=O)=C1OC	REAL300000375693	0	39	-2.0	-123.41	351.03	0.08	-123.33
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1OC	REAL300000375695	0	33	-2.0	-120.03	326.72	2.86	-117.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1OC	REAL300000375696	0	33	-2.0	-117.87	336.77	3.87	-114.00
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=C1OC	REAL300000375697	0	44	-2.0	-117.12	380.24	2.09	-115.03
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1OC	REAL300000375698	0	43	-2.0	-130.84	369.21	6.43	-124.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C(C)=N1	REAL300000375700	0	42	-2.0	-117.12	370.81	1.79	-115.33
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)=C1OC	REAL300000375701	0	42	-2.0	-129.08	375.38	2.18	-126.90
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)=C1OC	REAL300000375702	0	42	-2.0	-118.17	375.28	1.76	-116.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=C1OC	REAL300000375703	0	45	-2.0	-120.85	390.91	4.50	-116.35
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)=C1OC	REAL300000375704	0	45	-2.0	-122.14	391.54	4.08	-118.06
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C1OC	REAL300000375705	0	34	-2.0	-122.49	330.94	2.76	-119.73
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C1OC	REAL300000375706	0	34	-2.0	-129.76	340.02	3.69	-126.07
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C(C)C)=C1OC	REAL300000375707	0	42	-2.0	-117.04	369.69	3.62	-113.42
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1OC	REAL300000375708	0	43	-2.0	-116.52	375.60	4.32	-112.20
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300000375709	0	39	-2.0	-119.78	359.03	0.69	-119.09
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)=C1OC	REAL300000375710	0	45	-2.0	-123.95	392.45	4.10	-119.85
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1OC	REAL300000375711	0	38	-2.0	-118.23	355.31	3.38	-114.85
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2CC(C(C)C)C2)=C1OC	REAL300000375712	1	48	-2.0	-124.47	397.94	6.04	-118.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1OC	REAL300000375713	0	37	-2.0	-125.65	338.98	1.50	-124.15
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSN=C2)=C1OC	REAL300000375714	0	32	-2.0	-113.76	313.62	1.93	-111.83
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300000375715	0	41	-2.0	-132.62	368.75	3.93	-128.69
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C(C(=O)[O-])O1	REAL300000375716	0	41	-3.0	-186.97	375.47	4.80	-182.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)=C1OC	REAL300000375717	0	36	-2.0	-118.03	354.51	4.74	-113.29
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CS2)=C1OC	REAL300000375718	0	32	-2.0	-118.86	314.55	1.46	-117.40
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1OC	REAL300000375719	0	43	-2.0	-125.07	373.70	3.66	-121.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=C1OC	REAL300000375720	0	39	-2.0	-130.54	354.88	5.07	-125.47
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1F	REAL300000375723	1	40	-2.0	-105.99	365.82	2.98	-103.01
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1F	REAL300000375726	1	36	-2.0	-112.49	334.34	1.69	-110.80
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000375730	1	32	-2.0	-104.37	311.67	1.95	-102.42
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(F)=C1	REAL300000375732	0	29	-2.0	-100.16	299.39	0.92	-99.24
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2F)=C1	REAL300000375737	0	32	-2.0	-97.89	315.33	1.58	-96.31
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(F)=C1	REAL300000375739	1	29	-2.0	-101.54	297.85	0.93	-100.61
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1F	REAL300000375745	1	39	-2.0	-112.92	356.63	2.46	-110.46
NC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000375746	0	35	-2.0	-108.62	334.64	2.36	-106.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2F)C=C(C(=O)[O-])O1	REAL300000375748	1	32	-2.0	-99.28	309.21	1.04	-98.24
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2F)=C1	REAL300000375750	1	36	-2.0	-108.15	335.12	0.99	-107.16
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(F)=C1	REAL300000375757	1	32	-2.0	-97.97	314.83	2.55	-95.42
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(F)=C1	REAL300000375759	0	29	-2.0	-95.41	298.46	1.02	-94.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2F)=C1F	REAL300000375761	1	35	-2.0	-112.63	327.52	2.67	-109.96
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000375762	1	32	-2.0	-99.63	307.24	2.06	-97.57
NC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(F)=C1	REAL300000375767	0	33	-2.0	-108.41	310.52	0.48	-107.93
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(F)=C1	REAL300000375774	1	34	-2.0	-104.94	332.77	2.99	-101.95
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(F)=C1	REAL300000375775	1	32	-2.0	-102.53	313.51	2.11	-100.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2F)C=C1C(=O)[O-]	REAL300000375777	1	35	-2.0	-105.41	327.68	2.49	-102.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2F)=C1Cl	REAL300000375778	1	35	-2.0	-111.47	333.56	3.12	-108.35
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2F)=C1	REAL300000375779	1	35	-2.0	-111.53	331.25	2.58	-108.95
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(F)=C1	REAL300000375788	0	37	-2.0	-105.42	345.03	4.15	-101.27
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(F)=C1	REAL300000375790	0	34	-2.0	-114.24	329.93	3.75	-110.49
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000375791	1	32	-2.0	-110.85	309.84	1.92	-108.93
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(F)=C1	REAL300000375794	0	31	-2.0	-110.65	297.99	0.11	-110.54
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1F	REAL300000375795	1	36	-2.0	-104.80	329.98	1.78	-103.02
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(F)=C1	REAL300000375796	0	29	-2.0	-93.67	306.30	0.88	-92.79
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2F)C=C(C(=O)[O-])O1	REAL300000375799	1	35	-2.0	-98.99	328.33	1.89	-97.10
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)O1	REAL300000375800	1	39	-2.0	-102.19	364.52	2.45	-99.74
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2)O1	REAL300000375801	1	39	-2.0	-92.55	359.96	2.43	-90.12
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)O1	REAL300000375802	1	39	-2.0	-104.28	360.00	2.42	-101.86
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2)O1	REAL300000375803	1	43	-2.0	-92.30	391.43	3.72	-88.58
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2)O1	REAL300000375804	1	42	-2.0	-106.60	380.05	3.07	-103.53
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)O1	REAL300000375805	0	39	-2.0	-101.35	365.46	2.49	-98.86
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)O1	REAL300000375806	0	36	-2.0	-98.82	353.17	1.45	-97.37
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2)O1	REAL300000375807	1	42	-2.0	-105.26	375.41	3.21	-102.05
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)O1	REAL300000375808	0	40	-2.0	-102.82	366.64	1.77	-101.05
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2)O1	REAL300000375809	0	39	-2.0	-95.12	369.11	2.11	-93.01
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)O1	REAL300000375810	0	36	-2.0	-100.25	351.63	1.47	-98.78
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)O1	REAL300000375811	0	39	-2.0	-98.73	362.99	1.57	-97.16
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2)O1	REAL300000375812	0	39	-2.0	-101.97	368.60	2.32	-99.65
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)O1	REAL300000375813	1	39	-2.0	-92.25	364.50	2.46	-89.79
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)O1	REAL300000375814	0	36	-2.0	-94.07	352.25	1.55	-92.52
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)O1	REAL300000375815	0	39	-2.0	-95.42	366.39	2.49	-92.93
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)O1	REAL300000375816	0	39	-2.0	-91.73	365.44	2.49	-89.24
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)O1	REAL300000375817	0	40	-2.0	-104.24	369.69	0.14	-104.10
CCC1=NN=C(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)O1	REAL300000375817	1	40	-2.0	-105.66	368.91	0.93	-104.73
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)O1	REAL300000375818	1	42	-2.0	-95.55	382.15	3.21	-92.34
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2)O1	REAL300000375819	1	42	-2.0	-101.91	373.81	3.16	-98.75
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C2)O1	REAL300000375820	1	42	-2.0	-92.83	375.39	3.20	-89.63
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CN(CC)C(C(=O)[O-])=C3)C=C2)O1	REAL300000375821	0	43	-2.0	-103.98	388.00	2.64	-101.34
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2)O1	REAL300000375822	1	42	-2.0	-92.54	375.99	2.97	-89.57
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)O1	REAL300000375823	0	39	-2.0	-108.42	363.60	2.45	-105.97
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)O1	REAL300000375824	0	38	-2.0	-101.83	356.19	0.55	-101.28
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)O1	REAL300000375825	0	36	-2.0	-92.69	360.13	1.40	-91.29
CCC1=NN=C(C2=CC=C([N-]S(=O)(=O)C3=C(CC)OC(C(=O)[O-])=C3)C=C2)O1	REAL300000375826	0	42	-2.0	-98.64	382.11	2.42	-96.22
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000375827	1	38	-2.0	-112.72	348.47	5.70	-107.02
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000375828	1	38	-2.0	-100.65	333.04	5.22	-95.43
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000375829	1	38	-2.0	-113.33	343.93	5.67	-107.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(C)=O)=C1	REAL300000375830	0	42	-2.0	-126.53	372.08	5.47	-121.06
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000375831	1	42	-2.0	-101.58	375.40	6.97	-94.61
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000375832	1	41	-2.0	-114.35	348.91	5.82	-108.53
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000375833	0	38	-2.0	-109.50	346.37	5.81	-103.69
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000375834	1	38	-2.0	-109.25	345.81	5.63	-103.62
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000375835	1	44	-2.0	-117.05	365.72	6.56	-110.49
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000375836	0	38	-2.0	-111.02	349.40	5.73	-105.29
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000375837	1	44	-2.0	-100.05	376.63	6.79	-93.26
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000375838	0	35	-2.0	-107.45	326.48	4.26	-103.19
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000375839	1	41	-2.0	-115.00	348.72	6.03	-108.97
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000375841	0	39	-2.0	-111.63	339.69	4.56	-107.07
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000375843	0	38	-2.0	-103.61	342.40	4.92	-98.69
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000375845	0	35	-2.0	-109.14	335.58	4.70	-104.44
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000375847	1	47	-2.0	-117.18	386.95	7.22	-109.96
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(C)=O)=C1	REAL300000375848	1	44	-2.0	-113.61	363.47	6.96	-106.65
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(C)=O)=C1	REAL300000375849	0	45	-2.0	-125.49	394.36	6.23	-119.26
CC(=O)N(C)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000375850	0	41	-2.0	-114.49	363.99	5.72	-108.77
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000375850	1	40	-3.0	-189.23	372.34	6.24	-182.99
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000375851	1	45	-2.0	-118.49	388.18	7.57	-110.92
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000375852	0	38	-2.0	-107.44	336.33	4.38	-103.06
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000375853	0	42	-2.0	-113.78	361.96	4.30	-109.48
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000375855	1	41	-2.0	-105.16	353.75	6.03	-99.13
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000375856	1	42	-2.0	-98.64	370.35	5.55	-93.09
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(C)=O)=C2)C=C1C(=O)[O-]	REAL300000375857	1	45	-2.0	-119.89	382.20	6.18	-113.71
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000375858	0	38	-2.0	-110.61	353.62	5.56	-105.05
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000375859	0	38	-2.0	-98.27	346.35	5.80	-92.47
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000375860	1	38	-2.0	-100.11	337.82	5.28	-94.83
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000375861	0	35	-2.0	-103.58	336.20	4.79	-98.79
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000375862	1	38	-2.0	-104.31	350.34	5.73	-98.58
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000375863	0	41	-2.0	-112.40	359.06	5.95	-106.45
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000375864	0	38	-2.0	-100.02	338.76	5.31	-94.71
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000375865	1	38	-2.0	-99.09	356.43	6.07	-93.02
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000375866	1	41	-2.0	-106.93	362.49	6.41	-100.52
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000375867	1	38	-2.0	-102.23	344.12	5.34	-96.89
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000375868	0	40	-2.0	-98.04	361.24	5.88	-92.16
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000375869	0	39	-2.0	-113.87	342.75	2.92	-110.95
CC(=O)N(C)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000375869	1	39	-2.0	-108.75	352.64	4.24	-104.51
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000375870	1	41	-2.0	-104.81	355.23	5.98	-98.83
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000375871	1	41	-2.0	-108.77	342.77	5.92	-102.85
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000375872	1	41	-2.0	-112.06	357.87	5.86	-106.20
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000375874	1	44	-2.0	-116.32	365.78	6.35	-109.97
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000375875	0	40	-2.0	-111.32	370.01	6.72	-104.60
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000375876	0	38	-2.0	-102.30	344.80	5.33	-96.97
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000375878	0	41	-2.0	-113.67	368.65	6.34	-107.33
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000375879	0	41	-2.0	-111.11	375.69	6.81	-104.30
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000375880	0	41	-2.0	-117.64	358.34	5.93	-111.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(C)=O)=C2)C=C1C(=O)[O-]	REAL300000375881	1	44	-2.0	-123.19	378.32	6.86	-116.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(C)=O)=C2)C=C1CC(=O)[O-]	REAL300000375882	1	45	-2.0	-115.72	383.77	5.36	-110.36
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000375883	1	41	-2.0	-102.16	359.29	6.44	-95.72
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000375884	1	41	-2.0	-110.94	364.26	6.18	-104.76
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(C)=O)=C2)C=C1C(=O)[O-]	REAL300000375885	0	42	-2.0	-118.99	372.06	5.88	-113.11
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000375886	1	41	-2.0	-110.40	378.17	6.74	-103.66
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000375887	1	41	-2.0	-100.89	349.26	5.76	-95.13
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000375888	1	41	-2.0	-112.45	352.84	6.08	-106.37
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000375889	0	40	-2.0	-119.93	356.77	7.07	-112.86
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000375890	0	38	-2.0	-116.86	336.70	5.24	-111.62
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000375891	1	41	-2.0	-106.08	358.48	5.89	-100.19
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000375892	1	44	-2.0	-121.82	374.20	7.40	-114.42
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000375893	0	37	-2.0	-111.13	330.03	3.26	-107.87
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(C)=O)=C1	REAL300000375894	0	42	-2.0	-105.04	361.23	5.03	-100.01
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000375895	0	35	-2.0	-101.05	333.44	4.22	-96.83
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000375896	1	45	-2.0	-107.70	379.17	7.09	-100.61
CC(=O)N(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000375897	1	45	-2.0	-111.28	389.37	7.55	-103.73
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000375898	0	41	-2.0	-107.45	355.43	5.23	-102.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCC(C)C)C=C1	REAL300000375902	0	48	-2.0	-111.56	405.76	7.11	-104.45
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000375905	0	44	-2.0	-102.11	390.69	7.90	-94.21
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000375908	0	44	-2.0	-103.62	383.10	7.39	-96.23
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000375910	0	41	-2.0	-100.48	370.80	6.34	-94.14
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000375913	1	45	-2.0	-104.40	384.27	6.68	-97.72
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCCC(C)C)C=C2)=C1	REAL300000375915	0	44	-2.0	-96.62	386.75	7.01	-89.61
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000375917	1	41	-2.0	-101.97	369.27	6.36	-95.61
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCCC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000375920	0	44	-2.0	-100.05	380.66	6.46	-93.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCCC(C)C)C=C2)=C1	REAL300000375921	0	48	-2.0	-107.30	406.59	6.42	-100.88
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCC(C)C)C=C1	REAL300000375922	1	47	-2.0	-97.52	398.33	8.14	-89.38
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCCC(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000375923	1	44	-2.0	-103.52	386.25	7.21	-96.31
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000375924	1	44	-2.0	-91.39	390.67	7.89	-83.50
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000375926	0	41	-2.0	-95.11	369.88	6.45	-88.66
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000375927	1	44	-2.0	-97.15	384.03	7.39	-89.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCC(C)C)C=C2)=C1F	REAL300000375928	0	47	-2.0	-105.06	403.38	8.03	-97.03
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000375929	0	44	-2.0	-93.10	383.08	7.40	-85.70
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000375931	1	44	-2.0	-95.33	388.44	7.42	-87.91
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000375932	0	45	-2.0	-106.10	387.33	5.04	-101.06
CC(C)CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000375932	1	45	-2.0	-105.33	386.52	5.83	-99.50
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000375938	0	44	-2.0	-95.21	389.38	7.45	-87.76
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000375940	0	47	-2.0	-104.77	399.10	7.93	-96.84
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCCC(C)C)C=C2)=C1	REAL300000375941	0	47	-2.0	-110.83	402.63	8.02	-102.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000375943	1	48	-2.0	-105.64	405.64	7.55	-98.09
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000375946	0	44	-2.0	-109.84	381.28	7.35	-102.49
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000375948	0	43	-2.0	-103.81	373.83	5.44	-98.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCCC(C)C)C=C1	REAL300000375949	0	48	-2.0	-97.74	405.82	7.12	-90.62
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000375950	0	41	-2.0	-93.76	377.77	6.30	-87.46
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCCC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000375951	0	47	-2.0	-100.03	399.74	7.32	-92.71
O=C([O-])C1=CC(OC2=CC=C(Cl)C=C2)=CC=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000375952	0	36	-2.0	-116.47	350.16	4.97	-111.50
O=C([O-])C1=CC(OC2=CC=C(Cl)C=C2)=CC=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000375954	0	36	-2.0	-128.92	349.88	5.97	-122.95
O=C([O-])C1=CC(OC2=CC=C(Cl)C=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000375955	0	36	-2.0	-121.68	351.29	6.56	-115.12
O=C([O-])C1=CC(OC2=CC=C(Cl)C=C2)=CC=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000375957	0	36	-2.0	-119.99	351.08	6.47	-113.52
O=C([O-])C1=CC(OC2=CC=C(Cl)C=C2)=CC=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000375958	0	36	-2.0	-127.47	350.20	5.15	-122.32
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1N1CCOC1=O	REAL300000375960	1	41	-2.0	-116.51	371.01	4.90	-111.61
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1N1CCOC1=O	REAL300000375961	0	38	-2.0	-110.45	364.19	3.91	-106.54
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1N1CCOC1=O	REAL300000375962	1	42	-2.0	-114.59	377.65	4.25	-110.34
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1N1CCOC1=O	REAL300000375963	1	38	-2.0	-109.43	362.66	3.93	-105.50
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1N1CCOC1=O	REAL300000375964	0	41	-2.0	-109.86	374.01	4.03	-105.83
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1N1CCOC1=O	REAL300000375965	0	38	-2.0	-103.78	363.27	4.03	-99.75
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1N1CCOC1=O	REAL300000375966	0	40	-2.0	-111.50	367.23	3.03	-108.47
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CO2)=CC=C1F	REAL300000375970	1	39	-2.0	-120.97	355.28	6.67	-114.30
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)=C1	REAL300000375973	1	35	-2.0	-110.64	340.21	7.44	-103.20
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)=C1	REAL300000375976	1	35	-2.0	-112.66	332.62	6.93	-105.73
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)=C1	REAL300000375978	0	32	-2.0	-109.47	320.32	5.91	-103.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)=C1	REAL300000375983	1	35	-2.0	-105.52	336.27	6.57	-98.95
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000375988	1	35	-2.0	-108.78	330.15	6.03	-102.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)=C1	REAL300000375989	1	39	-2.0	-116.43	356.10	5.96	-110.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)S1	REAL300000375994	1	32	-2.0	-104.21	319.39	6.01	-98.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)=C1F	REAL300000375996	1	38	-2.0	-114.20	352.89	7.57	-106.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)C(F)=C1	REAL300000375997	1	35	-2.0	-101.90	332.60	6.95	-94.95
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(C3=CC=CO3)=CC=C2F)=C1	REAL300000376000	0	36	-2.0	-113.20	339.55	5.32	-107.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)=C1	REAL300000376006	1	35	-2.0	-104.08	338.87	7.01	-97.07
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)C=C1C(=O)[O-]	REAL300000376008	1	38	-2.0	-113.92	348.61	7.48	-106.44
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)=C1	REAL300000376009	1	38	-2.0	-120.82	352.17	7.56	-113.26
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)=C1F	REAL300000376014	1	35	-2.0	-119.91	330.77	6.90	-113.01
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)=C1	REAL300000376016	0	34	-2.0	-113.38	323.35	5.01	-108.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C2=CC=CO2)=CC=C1F	REAL300000376017	1	39	-2.0	-106.85	355.34	6.67	-100.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)=C(Cl)O1	REAL300000376018	1	32	-2.0	-102.67	327.24	5.86	-96.81
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CO3)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000376019	1	38	-2.0	-108.54	349.26	6.87	-101.67
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000376020	0	41	-2.0	-89.77	371.17	2.92	-86.85
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000376021	0	34	-2.0	-105.85	319.23	4.37	-101.48
CCCN1C=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=N1	REAL300000376022	0	42	-2.0	-107.30	374.32	5.43	-101.87
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=N1	REAL300000376023	0	34	-2.0	-103.84	331.12	5.05	-98.79
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000376024	0	34	-2.0	-96.05	314.68	4.34	-91.71
CCCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000376025	0	34	-2.0	-108.27	314.70	4.33	-103.94
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000376026	0	38	-2.0	-114.20	342.84	4.14	-110.06
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000376027	0	34	-2.0	-103.75	330.94	4.83	-98.92
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000376028	0	38	-2.0	-95.74	346.16	5.62	-90.12
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000376029	0	37	-2.0	-109.48	330.71	4.86	-104.62
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000376030	0	34	-2.0	-104.45	327.77	4.91	-99.54
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000376031	0	34	-2.0	-104.15	327.20	4.73	-99.42
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=N1	REAL300000376032	0	34	-2.0	-100.06	340.27	5.27	-94.79
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=N1	REAL300000376033	0	40	-2.0	-111.76	347.10	5.65	-106.11
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000376034	0	34	-2.0	-105.78	320.17	4.39	-101.39
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000376035	0	40	-2.0	-94.94	358.28	5.92	-89.02
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000376036	0	31	-2.0	-102.61	307.88	3.36	-99.25
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300000376037	0	37	-2.0	-109.80	330.13	5.12	-104.68
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000376038	0	38	-2.0	-94.40	345.78	4.61	-89.79
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C=N1	REAL300000376039	0	45	-2.0	-91.04	391.53	5.40	-85.64
CCCN1C=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=N1	REAL300000376040	0	31	-2.0	-99.92	324.91	4.11	-95.81
CCCN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000376041	0	35	-2.0	-106.74	321.34	3.69	-103.05
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=N1	REAL300000376042	0	38	-2.0	-110.53	338.48	3.17	-107.36
CCCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=N1	REAL300000376043	0	34	-2.0	-98.76	323.81	4.01	-94.75
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=N1	REAL300000376044	0	40	-2.0	-111.02	346.16	5.65	-105.37
CCCN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000376045	0	31	-2.0	-103.98	306.35	3.37	-100.61
CCCN1C=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000376046	0	42	-2.0	-108.70	373.03	4.15	-104.55
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000376047	0	38	-2.0	-114.14	341.99	4.41	-109.73
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000376048	0	44	-2.0	-113.71	369.95	6.96	-106.75
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=N1	REAL300000376049	0	43	-2.0	-111.92	368.60	6.34	-105.58
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=N1	REAL300000376050	0	40	-2.0	-108.40	344.87	6.06	-102.34
CCCN1C=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=N1	REAL300000376051	0	41	-2.0	-114.10	365.13	4.91	-109.19
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000376052	0	36	-3.0	-182.24	343.12	4.90	-177.34
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000376053	0	41	-2.0	-113.92	358.94	6.23	-107.69
CCCN1C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=N1	REAL300000376054	0	34	-2.0	-102.68	317.70	3.48	-99.20
CCCN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000376055	0	40	-2.0	-113.09	356.86	4.12	-108.97
CCCN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=N1	REAL300000376056	0	38	-2.0	-108.70	343.61	3.43	-105.27
CCCN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000376057	0	42	-2.0	-95.77	368.34	4.95	-90.82
CCCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000376058	0	34	-2.0	-97.96	342.38	5.18	-92.78
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000376059	0	34	-2.0	-101.24	332.29	4.93	-96.31
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000376060	0	38	-2.0	-92.98	361.79	5.15	-87.83
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=N1	REAL300000376061	0	41	-2.0	-94.89	365.85	5.32	-89.57
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=N1	REAL300000376062	0	44	-2.0	-93.80	394.45	5.58	-88.22
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=N1	REAL300000376063	0	37	-2.0	-100.33	335.41	5.16	-95.17
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)C=N1	REAL300000376064	0	47	-2.0	-95.07	408.30	6.25	-88.82
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000376065	0	38	-2.0	-93.92	351.99	4.68	-89.24
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)C=N1	REAL300000376066	0	41	-2.0	-114.88	363.84	5.31	-109.57
CCCN1C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=N1	REAL300000376067	0	34	-2.0	-106.06	324.39	4.22	-101.84
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000376068	0	34	-2.0	-98.13	342.92	5.36	-92.77
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000376069	0	34	-2.0	-93.59	327.75	4.90	-88.69
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=N1	REAL300000376070	0	34	-2.0	-93.23	331.10	5.03	-88.20
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000376071	0	34	-2.0	-95.55	319.22	4.37	-91.18
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000376072	0	31	-2.0	-97.56	306.97	3.46	-94.10
CCCN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000376073	0	34	-2.0	-99.14	321.10	4.41	-94.73
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=N1	REAL300000376074	0	37	-2.0	-107.18	340.46	5.03	-102.15
CCCN1C=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000376075	0	38	-2.0	-98.24	355.01	4.97	-93.27
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000376076	0	34	-2.0	-95.21	320.16	4.41	-90.80
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000376077	0	34	-2.0	-93.60	327.19	4.74	-88.86
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=N1	REAL300000376078	0	37	-2.0	-102.05	344.14	5.54	-96.51
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000376079	0	42	-2.0	-92.60	378.44	5.74	-86.86
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000376080	0	34	-2.0	-93.15	330.93	4.83	-88.32
CCCN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000376081	0	34	-2.0	-97.40	325.52	4.42	-92.98
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000376082	0	36	-2.0	-93.36	342.88	5.00	-88.36
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000376083	0	35	-2.0	-109.00	324.41	2.06	-106.94
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000376084	0	37	-2.0	-99.70	336.88	5.11	-94.59
CCCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000376085	0	34	-2.0	-98.88	335.41	4.86	-94.02
CCCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000376086	0	37	-2.0	-104.10	324.75	4.97	-99.13
CCCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000376087	0	37	-2.0	-107.16	339.53	4.99	-102.17
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000376088	0	37	-2.0	-96.41	330.11	5.12	-91.29
CCCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000376089	0	40	-2.0	-112.80	351.50	5.50	-107.30
CCCN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000376090	0	36	-2.0	-106.60	341.27	5.43	-101.17
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000376091	0	34	-2.0	-97.36	326.45	4.47	-92.89
CCCN1C=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=N1	REAL300000376092	0	31	-2.0	-95.37	327.28	4.03	-91.34
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000376093	0	40	-2.0	-108.53	348.08	5.75	-102.78
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=N1	REAL300000376094	0	37	-2.0	-108.06	340.01	5.04	-103.02
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=N1	REAL300000376095	0	37	-2.0	-106.21	346.46	5.47	-100.74
CCCN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=N1	REAL300000376096	0	37	-2.0	-112.47	339.74	5.02	-107.45
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=N1	REAL300000376097	0	40	-2.0	-110.24	348.66	5.52	-104.72
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=N1	REAL300000376098	0	41	-2.0	-110.02	365.17	4.46	-105.56
CCCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=N1	REAL300000376099	0	37	-2.0	-97.56	340.96	5.51	-92.05
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000376100	0	37	-2.0	-92.66	344.82	5.13	-87.53
CCCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000376101	0	37	-2.0	-105.92	345.92	5.30	-100.62
CCCN1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000376102	0	34	-2.0	-101.04	335.99	4.94	-96.10
CCCN1C=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=N1	REAL300000376103	0	38	-2.0	-108.05	342.72	4.56	-103.49
CCCN1C=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=N1	REAL300000376104	0	46	-2.0	-108.08	379.85	7.21	-100.87
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000376105	0	34	-2.0	-96.20	340.30	4.90	-91.30
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=N1	REAL300000376106	0	38	-2.0	-94.99	359.40	4.63	-90.36
CCCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000376107	0	37	-2.0	-102.81	348.44	5.41	-97.40
CCCN1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300000376108	0	43	-2.0	-106.01	364.15	6.46	-99.55
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=N1	REAL300000376109	0	38	-2.0	-110.07	355.03	4.97	-105.10
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000376110	0	37	-2.0	-96.14	330.71	4.87	-91.27
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000376111	0	39	-2.0	-100.01	355.41	6.51	-93.50
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=N1	REAL300000376112	0	37	-2.0	-107.50	334.24	5.17	-102.33
CCCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000376113	0	36	-2.0	-114.70	338.44	6.19	-108.51
CCCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000376114	0	34	-2.0	-111.70	318.36	4.36	-107.34
CCCN1C=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000376115	0	37	-2.0	-100.97	339.64	5.02	-95.95
CCCN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000376116	0	40	-2.0	-116.45	355.74	6.47	-109.98
CCCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000376117	0	33	-2.0	-106.02	311.68	2.40	-103.62
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=N1	REAL300000376118	0	38	-2.0	-100.28	342.90	4.14	-96.14
CCCN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000376119	0	31	-2.0	-96.39	314.84	3.31	-93.08
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000376120	0	38	-2.0	-103.52	358.48	4.89	-98.63
CCCN1C=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=N1	REAL300000376121	0	37	-2.0	-99.25	358.05	1.37	-97.88
CCCN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000376122	0	41	-2.0	-101.64	358.68	6.16	-95.48
CCCN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000376123	0	41	-2.0	-105.20	360.14	6.22	-98.98
CCCN1C=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=N1	REAL300000376124	0	37	-2.0	-102.70	336.83	4.33	-98.37
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000376125	1	38	-2.0	-83.78	347.35	4.37	-79.41
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000376126	1	31	-2.0	-99.61	295.43	5.82	-93.79
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C	REAL300000376127	0	39	-2.0	-100.52	350.52	6.88	-93.64
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000376128	0	31	-2.0	-96.80	307.31	6.51	-90.29
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000376129	1	31	-2.0	-89.92	290.87	5.80	-84.12
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000376130	1	31	-2.0	-101.90	290.89	5.79	-96.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C	REAL300000376131	0	35	-2.0	-106.91	319.04	5.59	-101.32
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000376132	1	31	-2.0	-97.51	307.14	6.28	-91.23
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000376133	1	35	-2.0	-89.62	322.35	7.09	-82.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)C=C1C(=O)[O-]	REAL300000376134	1	34	-2.0	-102.97	306.91	6.32	-96.65
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000376135	0	31	-2.0	-97.39	303.97	6.37	-91.02
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000376136	1	31	-2.0	-97.91	303.40	6.19	-91.72
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000376137	0	31	-2.0	-93.20	316.46	6.75	-86.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)=C1C	REAL300000376138	1	37	-2.0	-104.46	324.00	7.12	-97.34
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000376139	0	31	-2.0	-98.95	296.37	5.86	-93.09
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000376140	1	37	-2.0	-88.76	334.46	7.39	-81.37
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000376141	0	28	-2.0	-96.59	284.09	4.81	-91.78
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C	REAL300000376142	1	34	-2.0	-102.69	306.33	6.58	-96.11
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000376143	1	35	-2.0	-88.26	321.96	6.08	-82.18
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000376144	1	42	-2.0	-85.03	367.73	6.85	-78.18
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000376145	0	28	-2.0	-93.31	301.08	5.58	-87.73
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000376146	0	32	-2.0	-100.38	297.54	5.14	-95.24
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)=C1	REAL300000376148	0	31	-2.0	-92.63	300.01	5.48	-87.15
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)C=C1C(=O)[O-]	REAL300000376149	1	37	-2.0	-103.83	322.36	7.11	-96.72
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000376150	0	28	-2.0	-97.90	282.55	4.83	-93.07
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)=CC(C(=O)[O-])=C1OC	REAL300000376151	1	39	-2.0	-102.50	349.21	5.60	-96.90
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)C=C1C(=O)[O-]	REAL300000376152	1	35	-2.0	-107.79	318.18	5.86	-101.93
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000376153	1	41	-2.0	-106.39	346.13	8.42	-97.97
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000376154	1	40	-2.0	-104.58	344.79	7.81	-96.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C	REAL300000376155	1	37	-2.0	-101.01	320.51	7.51	-93.50
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C	REAL300000376156	0	38	-2.0	-107.59	341.33	6.36	-101.23
CC1=C(F)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000376157	0	34	-2.0	-106.04	318.56	6.28	-99.76
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000376157	1	33	-3.0	-176.51	319.30	6.36	-170.15
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000376158	1	38	-2.0	-106.68	335.15	7.69	-98.99
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)C=C(C(=O)[O-])O1	REAL300000376159	0	31	-2.0	-96.08	293.90	4.93	-91.15
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000376160	1	37	-2.0	-106.85	333.06	5.57	-101.28
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)=C1	REAL300000376161	0	35	-2.0	-102.94	319.89	4.88	-98.06
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000376162	1	39	-2.0	-88.75	343.82	6.39	-82.36
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000376163	1	31	-2.0	-91.78	318.57	6.65	-85.13
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000376164	0	31	-2.0	-94.32	308.49	6.39	-87.93
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000376165	1	35	-2.0	-87.01	338.01	6.62	-80.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)=CC=C1OCC(=O)[O-]	REAL300000376166	1	38	-2.0	-88.74	342.06	6.78	-81.96
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000376167	1	41	-2.0	-87.88	370.65	7.04	-80.84
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000376168	1	34	-2.0	-93.51	311.61	6.61	-86.90
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)=CC=C1OCCCC(=O)[O-]	REAL300000376169	1	44	-2.0	-88.94	384.51	7.71	-81.23
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000376170	1	35	-2.0	-87.98	328.21	6.13	-81.85
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)C=C1C(=O)[O-]	REAL300000376171	1	38	-2.0	-108.48	340.05	6.77	-101.71
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)C=C(C(=O)[O-])S1	REAL300000376172	0	31	-2.0	-99.16	300.60	5.68	-93.48
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000376173	0	31	-2.0	-91.37	319.12	6.81	-84.56
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000376174	0	31	-2.0	-87.43	303.94	6.36	-81.07
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000376175	0	31	-2.0	-87.00	307.30	6.50	-80.50
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000376176	1	31	-2.0	-89.54	295.41	5.83	-83.71
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000376177	0	28	-2.0	-91.66	283.16	4.92	-86.74
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000376178	1	31	-2.0	-93.03	297.30	5.86	-87.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)=C1F	REAL300000376179	0	34	-2.0	-100.29	316.65	6.49	-93.80
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000376180	0	35	-2.0	-92.19	331.21	6.42	-85.77
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000376181	0	31	-2.0	-89.24	296.35	5.87	-83.37
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000376182	1	31	-2.0	-87.60	303.38	6.20	-81.40
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000376183	1	34	-2.0	-95.12	320.35	7.00	-88.12
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000376184	1	39	-2.0	-86.57	354.63	7.21	-79.36
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000376185	1	31	-2.0	-87.11	307.12	6.29	-80.82
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000376186	1	31	-2.0	-91.37	301.71	5.89	-85.48
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000376187	0	33	-2.0	-87.35	319.09	6.46	-80.89
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000376188	0	32	-2.0	-101.50	300.61	3.51	-97.99
CC1=C(F)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000376188	1	32	-2.0	-101.74	298.03	4.34	-97.40
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000376189	1	34	-2.0	-93.27	313.06	6.58	-86.69
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000376190	1	31	-2.0	-92.74	311.60	6.33	-86.41
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000376191	1	34	-2.0	-98.27	300.93	6.43	-91.84
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)=CC(C(=O)[O-])=C1F	REAL300000376192	1	34	-2.0	-100.97	315.73	6.45	-94.52
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C	REAL300000376193	1	34	-2.0	-90.12	306.31	6.57	-83.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)=CC(C(=O)[O-])=C1C	REAL300000376194	1	37	-2.0	-104.81	324.36	6.87	-97.94
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000376195	0	33	-2.0	-100.69	317.45	6.89	-93.80
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000376196	0	31	-2.0	-90.84	302.63	5.92	-84.92
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000376197	0	28	-2.0	-89.55	303.48	5.48	-84.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)C(C)=C1C(=O)[O-]	REAL300000376198	1	37	-2.0	-102.63	324.44	7.21	-95.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)C=C1C(=O)[O-]	REAL300000376199	0	34	-2.0	-99.97	312.37	6.39	-93.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)=C1Cl	REAL300000376200	0	34	-2.0	-99.07	322.68	6.93	-92.14
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)=C1	REAL300000376201	0	34	-2.0	-106.81	315.93	6.49	-100.32
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)C=C1C(=O)[O-]	REAL300000376202	1	37	-2.0	-103.75	325.22	6.98	-96.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)C=C1CC(=O)[O-]	REAL300000376203	1	38	-2.0	-104.58	341.36	5.92	-98.66
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000376204	1	34	-2.0	-91.66	317.17	6.98	-84.68
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000376205	1	34	-2.0	-86.58	321.01	6.61	-79.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000376206	1	34	-2.0	-99.69	322.12	6.75	-92.94
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000376207	1	31	-2.0	-94.83	312.18	6.41	-88.42
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)C=C1C(=O)[O-]	REAL300000376208	0	35	-2.0	-101.65	318.85	6.00	-95.65
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000376210	0	31	-2.0	-89.76	316.52	6.35	-83.41
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000376211	0	35	-2.0	-88.96	335.60	6.08	-82.88
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000376212	1	34	-2.0	-95.30	320.76	6.76	-88.54
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000376213	0	40	-2.0	-99.03	340.35	7.93	-91.10
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)C=C1C(=O)[O-]	REAL300000376214	0	35	-2.0	-102.96	331.22	6.42	-96.54
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)=CC=C1C(=O)[O-]	REAL300000376215	1	34	-2.0	-90.00	306.90	6.34	-83.66
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000376216	0	36	-2.0	-93.99	334.15	7.99	-86.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C	REAL300000376217	1	34	-2.0	-100.25	310.85	6.61	-93.64
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000376218	0	33	-2.0	-109.05	314.64	7.65	-101.40
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000376219	0	31	-2.0	-106.02	294.54	5.82	-100.20
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000376220	1	34	-2.0	-93.72	312.06	6.37	-87.35
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000376221	1	37	-2.0	-110.09	331.94	7.91	-102.18
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000376222	0	30	-2.0	-98.81	287.89	3.86	-94.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C	REAL300000376223	0	35	-2.0	-93.89	319.10	5.59	-88.30
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000376224	0	28	-2.0	-90.18	291.00	4.77	-85.41
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000376225	1	35	-2.0	-97.44	334.68	6.34	-91.10
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000376226	0	34	-2.0	-93.38	334.25	2.84	-90.54
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000376227	1	38	-2.0	-96.21	337.02	7.68	-88.53
CC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000376228	1	38	-2.0	-99.17	334.98	7.67	-91.50
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C)C=C(C(=O)[O-])O1	REAL300000376229	0	34	-2.0	-95.91	313.02	5.78	-90.13
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O=C([O-])C1=CC=CC(S(=O)(=O)N[N-]C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])=C1	REAL300000376232	1	34	-3.0	-179.29	341.33	3.17	-176.12
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C=C1C(=O)[O-]	REAL300000376233	0	37	-3.0	-185.02	355.79	4.63	-180.39
CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C=C1C(=O)[O-]	REAL300000376233	1	37	-3.0	-180.44	357.37	3.71	-176.73
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CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300000376236	0	37	-3.0	-180.55	355.19	4.87	-175.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300000376236	1	37	-3.0	-174.07	345.59	4.65	-169.42
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C=C1C(=O)[O-]	REAL300000376237	0	35	-3.0	-181.09	346.40	3.45	-177.64
CN1C=C(S(=O)(=O)N[N-]C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C=C1C(=O)[O-]	REAL300000376237	1	35	-3.0	-179.02	347.96	2.53	-176.49
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])=CS1	REAL300000376238	0	31	-3.0	-177.87	331.41	3.13	-174.74
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C=C(C(=O)[O-])O1	REAL300000376239	0	34	-3.0	-172.25	342.76	3.24	-169.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C=C1F	REAL300000376240	0	34	-3.0	-166.80	344.29	4.13	-162.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])S1	REAL300000376241	0	31	-3.0	-169.75	332.02	3.22	-166.53
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])=C1	REAL300000376242	0	34	-3.0	-173.09	346.16	4.16	-168.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C(F)=C1	REAL300000376243	0	34	-3.0	-168.33	345.24	4.16	-164.17
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])=C1	REAL300000376244	0	35	-3.0	-177.93	349.47	1.82	-176.11
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])=C1	REAL300000376244	1	34	-4.0	-298.54	345.91	2.69	-295.85
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C=C1	REAL300000376245	0	37	-3.0	-170.54	361.92	4.88	-165.66
O=C([O-])CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C=C1	REAL300000376245	1	37	-3.0	-171.92	363.49	3.96	-167.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300000376246	0	37	-3.0	-182.27	349.30	4.70	-177.57
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[N-]C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300000376246	1	37	-3.0	-193.87	338.77	4.44	-189.43
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[N-]C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300000376247	0	37	-3.0	-173.64	356.93	3.93	-169.71
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300000376247	1	37	-3.0	-167.52	355.17	4.86	-162.66
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C=C1C(=O)[O-]	REAL300000376248	0	38	-3.0	-182.69	367.78	4.31	-178.38
CCN1C=C(S(=O)(=O)N[N-]C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C=C1C(=O)[O-]	REAL300000376248	1	38	-3.0	-180.43	369.35	3.39	-177.04
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300000376249	0	37	-3.0	-168.33	355.76	4.64	-163.69
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300000376249	1	37	-3.0	-173.58	357.33	3.72	-169.86
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])=CC=C1	REAL300000376250	0	34	-3.0	-191.50	343.42	4.13	-187.37
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])=C1	REAL300000376251	0	33	-3.0	-180.98	335.98	2.22	-178.76
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C=C(C(=O)[O-])O1	REAL300000376252	0	37	-3.0	-171.73	361.92	4.02	-167.71
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000376254	1	48	-2.0	-111.12	412.74	6.76	-104.36
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000376255	0	45	-2.0	-105.09	405.93	5.78	-99.31
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000376256	1	49	-2.0	-109.31	419.39	6.11	-103.20
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000376257	0	45	-2.0	-106.65	404.39	5.79	-100.86
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000376258	0	48	-2.0	-105.07	415.76	5.91	-99.16
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000376259	0	45	-2.0	-99.72	404.99	5.89	-93.83
CCOCCOCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000376260	0	47	-2.0	-108.40	408.95	4.88	-103.52
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376261	1	38	-2.0	-113.37	344.42	4.51	-108.86
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376262	1	35	-2.0	-113.05	328.99	3.73	-109.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1O	REAL300000376265	0	29	-2.0	-116.76	282.71	3.36	-113.40
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1O	REAL300000376266	0	32	-2.0	-103.11	310.39	2.76	-100.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1O	REAL300000376267	0	28	-2.0	-100.31	286.06	1.71	-98.60
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376268	1	30	-2.0	-106.68	295.04	3.46	-103.22
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376269	1	30	-2.0	-102.78	295.02	3.46	-99.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1O	REAL300000376270	0	29	-2.0	-105.95	296.43	3.65	-102.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)C=C1O	REAL300000376271	0	32	-2.0	-105.25	316.80	4.98	-100.27
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376272	0	30	-2.0	-116.82	292.30	3.37	-113.45
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1Br	REAL300000376273	1	32	-2.0	-104.15	313.71	4.26	-99.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C=C1O	REAL300000376275	0	29	-2.0	-110.38	290.69	3.78	-106.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1NC(C)=O	REAL300000376276	1	40	-2.0	-121.94	358.00	1.38	-120.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C=C1O	REAL300000376277	1	33	-2.0	-102.35	320.18	2.86	-99.49
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376278	0	39	-2.0	-102.94	361.62	2.21	-100.73
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376278	1	38	-3.0	-155.88	359.14	2.22	-153.66
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1O	REAL300000376279	0	32	-2.0	-121.82	309.92	3.63	-118.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1O	REAL300000376279	1	31	-3.0	-172.71	307.20	3.66	-169.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])C=C1O	REAL300000376281	0	33	-2.0	-105.78	323.52	5.15	-100.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1O	REAL300000376282	1	38	-2.0	-107.98	337.02	3.01	-104.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1[N+](=O)[O-]	REAL300000376283	1	34	-2.0	-107.16	321.09	4.37	-102.79
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376284	0	39	-3.0	-174.95	362.28	4.74	-170.21
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376284	1	40	-2.0	-114.19	365.08	4.64	-109.55
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376285	0	32	-2.0	-104.79	290.41	0.91	-103.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C=C1O	REAL300000376286	0	26	-2.0	-102.31	287.81	2.79	-99.52
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1Cl	REAL300000376287	0	35	-2.0	-106.61	333.94	5.57	-101.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C=C1O	REAL300000376289	1	45	-2.0	-108.53	376.06	6.88	-101.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1O	REAL300000376290	1	32	-2.0	-101.92	312.96	4.07	-97.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)C=C1O	REAL300000376291	1	39	-2.0	-111.17	336.91	5.56	-105.61
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376292	0	32	-2.0	-104.34	305.14	3.63	-100.71
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376293	0	37	-2.0	-117.95	331.94	2.15	-115.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1OC	REAL300000376294	1	37	-2.0	-108.08	332.93	2.28	-105.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)C=C1O	REAL300000376295	1	36	-2.0	-111.16	319.72	4.98	-106.18
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376296	0	31	-2.0	-99.79	287.38	2.04	-97.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1O	REAL300000376297	1	29	-2.0	-101.03	306.13	4.05	-96.98
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376298	0	32	-2.0	-100.25	309.27	3.49	-96.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376298	1	31	-3.0	-175.67	302.66	3.63	-172.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1O	REAL300000376299	1	29	-2.0	-100.37	286.92	3.19	-97.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C1O	REAL300000376300	0	29	-2.0	-106.37	304.06	4.16	-102.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1O	REAL300000376301	1	32	-2.0	-106.04	312.93	4.07	-101.97
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376302	1	32	-2.0	-110.28	295.60	3.74	-106.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C1O	REAL300000376304	0	32	-2.0	-112.69	300.07	4.46	-108.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C=C1O	REAL300000376305	1	32	-2.0	-100.54	326.11	4.49	-96.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1O	REAL300000376306	1	29	-2.0	-106.41	290.93	3.59	-102.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)C=C1O	REAL300000376307	0	32	-2.0	-105.80	326.08	4.64	-101.16
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376308	1	34	-2.0	-108.39	315.44	3.48	-104.91
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376309	1	35	-2.0	-110.62	311.10	4.52	-106.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1O	REAL300000376311	1	29	-2.0	-100.54	296.81	3.64	-96.90
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376312	1	34	-2.0	-119.35	315.47	3.47	-115.88
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376314	0	35	-2.0	-122.30	319.44	4.47	-117.83
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376315	1	38	-2.0	-104.48	350.84	4.66	-99.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C1O	REAL300000376316	0	29	-2.0	-107.90	302.52	4.09	-103.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1[N+](=O)[O-]	REAL300000376317	1	35	-2.0	-107.54	329.71	3.82	-103.72
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376318	1	41	-2.0	-109.05	350.40	5.39	-103.66
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376319	1	38	-2.0	-109.04	334.43	5.00	-104.04
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376320	1	41	-2.0	-108.86	352.88	5.66	-103.20
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376321	0	35	-3.0	-181.49	330.81	3.44	-178.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376321	1	36	-2.0	-117.72	331.32	2.95	-114.77
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376322	0	36	-2.0	-106.63	336.61	4.92	-101.71
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376322	1	35	-3.0	-161.46	334.12	4.93	-156.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C1O	REAL300000376323	0	29	-2.0	-111.02	297.81	4.39	-106.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1O	REAL300000376324	0	26	-2.0	-102.12	283.17	2.69	-99.43
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376325	1	38	-2.0	-108.96	338.59	5.29	-103.67
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376326	0	33	-2.0	-116.42	302.47	2.86	-113.56
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000376327	0	35	-2.0	-123.02	321.18	4.16	-118.86
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376328	0	40	-2.0	-116.48	358.54	1.76	-114.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1O	REAL300000376329	0	29	-2.0	-104.19	292.26	3.26	-100.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1O	REAL300000376330	1	29	-2.0	-101.27	307.66	4.10	-97.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1O	REAL300000376331	0	29	-2.0	-110.94	287.33	3.64	-107.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C=C1O	REAL300000376332	1	29	-2.0	-106.33	295.49	3.70	-102.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1O	REAL300000376333	1	31	-2.0	-107.09	302.42	3.74	-103.35
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376334	1	34	-2.0	-107.20	317.91	4.53	-102.67
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C=C1O	REAL300000376335	1	31	-2.0	-101.44	314.87	4.12	-97.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1O	REAL300000376337	0	31	-2.0	-120.87	295.29	4.49	-116.38
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376338	0	31	-3.0	-170.97	315.73	4.20	-166.77
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376338	1	32	-2.0	-109.79	318.43	4.17	-105.62
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1O	REAL300000376339	0	32	-2.0	-118.05	317.89	3.99	-114.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1O	REAL300000376339	1	31	-3.0	-171.37	315.17	4.02	-167.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1O	REAL300000376342	0	29	-2.0	-105.37	286.11	3.20	-102.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1O	REAL300000376343	1	29	-2.0	-106.62	280.61	3.14	-103.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1O	REAL300000376344	0	29	-2.0	-100.59	287.02	3.21	-97.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1O	REAL300000376346	1	35	-2.0	-109.80	318.69	2.23	-107.57
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376348	1	44	-2.0	-111.81	365.89	6.18	-105.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1O	REAL300000376349	1	29	-2.0	-103.34	290.94	3.59	-99.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C=C1O	REAL300000376350	1	29	-2.0	-103.16	295.50	3.70	-99.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1O	REAL300000376351	0	31	-2.0	-98.54	302.43	3.74	-94.80
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376352	1	36	-2.0	-114.96	330.29	1.96	-113.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376353	0	29	-2.0	-108.62	288.02	2.87	-105.75
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376354	1	45	-2.0	-113.71	389.35	4.01	-109.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=C1C	REAL300000376355	0	38	-2.0	-120.97	337.07	4.96	-116.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1C	REAL300000376355	1	37	-3.0	-178.79	335.34	4.99	-173.80
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376356	0	33	-2.0	-109.60	319.19	3.38	-106.22
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376357	1	32	-2.0	-106.60	310.98	4.48	-102.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1O	REAL300000376358	0	31	-2.0	-111.60	312.02	5.00	-106.60
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376359	0	31	-3.0	-172.15	308.14	3.69	-168.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=C1O	REAL300000376360	0	26	-2.0	-101.62	297.05	3.23	-98.39
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376361	1	44	-2.0	-108.85	377.66	6.58	-102.27
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376362	1	34	-2.0	-105.31	311.95	4.39	-100.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1O	REAL300000376363	0	29	-2.0	-108.75	286.10	3.20	-105.55
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376364	0	38	-2.0	-101.81	348.73	5.22	-96.59
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376364	1	37	-3.0	-161.01	346.23	5.22	-155.79
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376365	1	39	-2.0	-114.81	350.88	2.78	-112.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1O	REAL300000376366	1	33	-2.0	-105.71	309.94	-0.11	-105.82
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376368	1	33	-2.0	-107.33	314.39	4.09	-103.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1O	REAL300000376369	1	34	-2.0	-106.65	316.22	1.52	-105.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=C1O	REAL300000376370	1	37	-2.0	-107.66	334.01	2.26	-105.40
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1OCC	REAL300000376371	1	43	-2.0	-108.06	376.64	4.12	-103.94
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376373	0	28	-3.0	-168.58	295.85	2.67	-165.91
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1O	REAL300000376374	1	32	-2.0	-105.24	305.95	0.57	-104.67
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376376	0	35	-2.0	-119.56	317.74	3.97	-115.59
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376376	1	34	-3.0	-176.69	318.10	4.42	-172.27
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376377	0	35	-2.0	-108.02	311.81	2.16	-105.86
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376378	1	37	-2.0	-112.85	350.83	-0.76	-113.61
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1C	REAL300000376379	1	37	-2.0	-107.02	335.20	5.10	-101.92
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C2CC1C	REAL300000376380	1	43	-2.0	-108.26	368.82	4.64	-103.62
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376381	1	35	-2.0	-104.85	328.98	3.74	-101.11
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376382	1	36	-2.0	-109.11	330.64	1.35	-107.76
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376383	1	34	-2.0	-110.01	328.44	-1.97	-111.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C=C1O	REAL300000376384	1	33	-2.0	-105.72	329.47	3.20	-102.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)C=C1O	REAL300000376385	1	40	-2.0	-115.98	352.00	4.19	-111.79
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CC=C21	REAL300000376386	1	43	-2.0	-119.91	365.76	4.64	-115.27
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376387	0	38	-2.0	-118.48	346.33	4.76	-113.72
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376388	1	33	-2.0	-109.05	308.71	-0.15	-109.20
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CC=C21	REAL300000376389	1	40	-2.0	-117.23	353.11	4.10	-113.13
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376390	1	35	-2.0	-109.33	317.10	4.51	-104.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1O	REAL300000376391	1	35	-2.0	-112.09	320.14	5.36	-106.73
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=CS1	REAL300000376392	0	32	-2.0	-118.76	313.78	3.38	-115.38
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376393	1	39	-2.0	-108.37	350.76	3.58	-104.79
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376395	0	36	-2.0	-103.18	336.23	3.91	-99.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C=C1O	REAL300000376397	1	40	-2.0	-110.76	358.42	7.19	-103.57
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376398	1	41	-2.0	-109.29	355.41	5.76	-103.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1O	REAL300000376399	1	29	-2.0	-102.80	280.61	3.14	-99.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1O	REAL300000376400	0	29	-2.0	-113.58	279.70	3.13	-110.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C3NC(=O)CC3=C2)C=C1O	REAL300000376402	0	34	-2.0	-106.94	329.33	2.07	-104.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C1O	REAL300000376403	1	34	-2.0	-105.89	316.58	3.58	-102.31
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376404	0	35	-2.0	-122.11	327.05	1.67	-120.44
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=C2N=C1	REAL300000376405	0	37	-2.0	-125.08	335.54	4.35	-120.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(Cl)=C1	REAL300000376407	0	32	-2.0	-110.55	308.75	4.30	-106.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C=C1O	REAL300000376408	0	33	-2.0	-111.73	318.96	3.34	-108.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C=C1O	REAL300000376409	1	35	-2.0	-106.41	324.93	0.30	-106.11
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376410	1	34	-2.0	-114.14	328.45	-1.97	-116.11
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CC=C21	REAL300000376411	1	37	-2.0	-106.84	337.50	3.53	-103.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C([N+](=O)[O-])=C1	REAL300000376412	0	35	-2.0	-116.33	324.76	3.78	-112.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)C=C1O	REAL300000376413	1	35	-2.0	-106.17	330.75	0.07	-106.10
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C2C1=O	REAL300000376414	1	36	-2.0	-103.95	339.83	2.33	-101.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C=C1O	REAL300000376415	1	34	-2.0	-103.91	321.88	4.58	-99.33
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CC=C21	REAL300000376416	1	35	-2.0	-106.54	328.32	3.03	-103.51
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C=C1O	REAL300000376417	1	33	-2.0	-104.22	320.19	2.87	-101.35
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376418	1	35	-2.0	-112.98	334.92	0.60	-112.38
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376420	1	37	-2.0	-109.37	350.81	-0.76	-110.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C1O	REAL300000376421	1	39	-2.0	-112.72	344.05	6.95	-105.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1O	REAL300000376422	0	29	-2.0	-103.17	293.73	3.70	-99.47
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C=C1O	REAL300000376423	0	41	-2.0	-115.87	360.13	2.41	-113.46
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(F)=C1	REAL300000376424	0	36	-2.0	-119.46	335.76	2.04	-117.42
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376425	1	35	-2.0	-117.02	334.91	0.60	-116.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)C=C1O	REAL300000376426	1	38	-2.0	-110.03	348.40	5.77	-104.26
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1OC	REAL300000376428	0	37	-2.0	-109.61	338.41	2.34	-107.27
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1OC	REAL300000376429	1	40	-2.0	-108.63	348.37	3.05	-105.58
CN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000376430	0	33	-2.0	-102.22	311.81	2.97	-99.25
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000376430	1	32	-3.0	-173.25	309.30	2.99	-170.26
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1Cl	REAL300000376431	0	29	-2.0	-115.84	291.67	2.65	-113.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(Br)=C1	REAL300000376432	1	32	-2.0	-109.96	312.10	4.45	-105.51
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(N)=O	REAL300000376433	0	34	-2.0	-107.67	316.15	-0.76	-108.43
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376434	0	36	-2.0	-120.34	326.36	2.01	-118.33
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376435	0	35	-2.0	-112.15	342.06	4.29	-107.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1Cl	REAL300000376437	1	33	-2.0	-106.03	319.71	2.93	-103.10
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000376438	1	33	-2.0	-105.96	309.91	2.44	-103.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(N)=O	REAL300000376441	1	36	-2.0	-104.71	324.78	0.53	-104.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(N)=O	REAL300000376442	1	37	-2.0	-106.51	336.01	0.45	-106.06
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376443	0	34	-2.0	-98.70	317.91	4.52	-94.18
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CN1C	REAL300000376445	0	37	-2.0	-108.14	338.08	0.73	-107.41
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376446	1	32	-2.0	-106.70	306.41	4.37	-102.33
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=N2)C=C1	REAL300000376448	0	39	-2.0	-107.39	356.17	4.87	-102.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C=C1O	REAL300000376450	1	40	-2.0	-108.68	349.68	3.20	-105.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)C=C1O	REAL300000376452	1	37	-2.0	-109.02	337.74	2.93	-106.09
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376453	0	31	-3.0	-163.72	311.78	3.32	-160.40
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1Cl	REAL300000376454	1	30	-2.0	-99.98	310.41	3.88	-96.10
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1Cl	REAL300000376455	1	30	-2.0	-100.65	310.45	3.88	-96.77
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000376456	0	38	-2.0	-119.39	336.03	4.94	-114.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1O	REAL300000376457	1	33	-2.0	-114.43	312.56	3.44	-110.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C2=CC=CN=C12	REAL300000376458	1	38	-2.0	-111.79	339.50	2.86	-108.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1Cl	REAL300000376459	1	32	-2.0	-106.77	309.66	4.19	-102.58
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1O	REAL300000376460	0	29	-2.0	-110.38	295.88	3.64	-106.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Br)C=C1O	REAL300000376461	0	29	-2.0	-102.73	297.08	3.85	-98.88
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376463	0	35	-2.0	-104.18	330.67	3.53	-100.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C2=CC=CC=C12	REAL300000376464	1	39	-2.0	-115.02	343.57	4.73	-110.29
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000376465	1	32	-2.0	-106.63	300.92	3.78	-102.85
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376466	1	32	-2.0	-103.69	306.41	4.37	-99.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C=C1O	REAL300000376467	0	29	-2.0	-103.01	314.53	4.90	-98.11
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376468	0	32	-2.0	-113.65	301.12	3.80	-109.85
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376469	1	32	-2.0	-106.86	296.09	3.92	-102.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)C=C1O	REAL300000376470	1	35	-2.0	-108.33	334.24	5.14	-103.19
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376471	0	34	-2.0	-122.48	307.79	5.33	-117.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)C=C1O	REAL300000376472	0	37	-2.0	-110.38	339.50	2.32	-108.06
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C(F)(F)F)=C1	REAL300000376473	0	33	-2.0	-104.74	320.79	4.86	-99.88
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376474	1	39	-2.0	-119.66	346.35	2.93	-116.73
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376476	0	37	-2.0	-125.35	335.47	4.36	-120.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CS1	REAL300000376479	0	28	-3.0	-170.07	294.31	2.68	-167.39
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=CS1	REAL300000376479	1	29	-2.0	-100.22	300.99	2.53	-97.69
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1Cl	REAL300000376480	0	32	-2.0	-111.55	316.57	4.96	-106.59
COC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000376481	0	40	-2.0	-122.02	363.47	3.44	-118.58
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000376481	1	39	-3.0	-175.37	360.97	3.44	-171.93
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376482	1	38	-2.0	-117.39	350.39	1.38	-116.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C=C1O	REAL300000376483	0	31	-2.0	-98.68	315.55	4.31	-94.37
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000376484	0	36	-2.0	-129.65	332.46	3.69	-125.96
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C2=CC=CN=C2C=C1	REAL300000376485	1	37	-2.0	-110.15	324.17	4.45	-105.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CS2)C=C1O	REAL300000376487	0	26	-2.0	-107.61	286.51	2.65	-104.96
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1O	REAL300000376488	1	36	-2.0	-106.35	337.80	1.76	-104.59
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376489	1	42	-2.0	-117.73	377.88	2.87	-114.86
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1O	REAL300000376490	0	31	-2.0	-115.12	299.14	4.53	-110.59
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376491	0	43	-2.0	-118.94	384.36	1.87	-117.07
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376492	0	42	-2.0	-120.32	358.89	5.79	-114.53
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376492	1	41	-3.0	-181.03	357.91	6.26	-174.77
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376493	0	41	-2.0	-118.32	356.98	5.21	-113.11
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376493	1	40	-3.0	-179.72	356.57	5.64	-174.08
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=C1O	REAL300000376494	1	39	-2.0	-109.83	348.39	6.49	-103.34
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C1O	REAL300000376495	0	31	-2.0	-116.57	307.59	4.46	-112.11
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376496	0	38	-2.0	-118.52	355.15	1.54	-116.98
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376497	1	40	-2.0	-118.94	364.95	2.74	-116.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)C=C1O	REAL300000376500	1	40	-2.0	-119.54	362.25	3.05	-116.49
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376501	0	33	-2.0	-112.38	305.39	1.44	-110.94
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376501	1	33	-2.0	-97.84	304.52	2.28	-95.56
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376502	0	38	-2.0	-118.91	337.61	5.28	-113.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376502	1	37	-3.0	-175.80	332.82	5.37	-170.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C1O	REAL300000376503	0	32	-2.0	-112.22	313.72	3.99	-108.23
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1)=C2	REAL300000376504	1	42	-2.0	-115.38	373.99	6.91	-108.47
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376505	0	38	-3.0	-183.69	353.09	4.20	-179.49
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376505	1	39	-2.0	-108.95	355.84	4.14	-104.81
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=CC(C(=O)[O-])=C1	REAL300000376506	0	34	-3.0	-183.29	333.57	4.19	-179.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC(C(=O)[O-])=C1	REAL300000376506	1	33	-4.0	-255.62	331.07	4.20	-251.42
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376507	0	32	-2.0	-102.83	322.07	2.83	-100.00
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376508	0	39	-2.0	-121.45	348.00	5.55	-115.90
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376508	1	38	-3.0	-181.05	346.93	5.54	-175.51
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1F	REAL300000376509	1	35	-2.0	-111.87	339.29	0.62	-111.25
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C	REAL300000376510	0	37	-2.0	-120.91	331.84	5.70	-115.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1O	REAL300000376511	1	33	-2.0	-102.35	312.00	3.45	-98.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1O	REAL300000376512	0	29	-2.0	-106.78	289.11	3.43	-103.35
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376513	0	39	-2.0	-116.44	370.32	2.00	-114.44
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376514	0	39	-2.0	-107.67	367.69	2.05	-105.62
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C(C(=O)[O-])O1	REAL300000376515	0	31	-3.0	-166.93	305.67	2.79	-164.14
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C(C(=O)[O-])O1	REAL300000376515	1	32	-2.0	-113.37	308.68	2.72	-110.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1O	REAL300000376516	0	32	-2.0	-129.11	302.39	2.28	-126.83
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376517	0	35	-2.0	-114.27	334.46	3.78	-110.49
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376518	0	39	-2.0	-118.00	345.73	4.45	-113.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C=C1O	REAL300000376519	1	32	-2.0	-100.14	318.53	4.13	-96.01
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376520	1	45	-2.0	-108.29	385.43	4.79	-103.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=C1O	REAL300000376522	0	31	-2.0	-121.71	304.26	5.15	-116.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1O	REAL300000376523	1	34	-2.0	-120.04	322.47	3.25	-116.79
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C2=CC=CC=C12	REAL300000376524	1	42	-2.0	-114.46	365.42	5.67	-108.79
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1O	REAL300000376525	0	38	-2.0	-106.92	347.32	3.40	-103.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1O	REAL300000376525	1	37	-3.0	-180.65	344.83	3.40	-177.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C=C1O	REAL300000376526	1	33	-2.0	-103.44	330.58	4.54	-98.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C=C1O	REAL300000376527	0	28	-2.0	-100.78	290.54	1.88	-98.90
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376530	0	35	-2.0	-118.02	340.41	0.66	-117.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1O	REAL300000376531	0	31	-2.0	-125.29	296.90	4.62	-120.67
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376532	0	35	-3.0	-177.50	331.65	2.72	-174.78
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376532	1	36	-2.0	-105.21	333.73	2.78	-102.43
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1O	REAL300000376533	0	40	-2.0	-112.11	358.80	4.25	-107.86
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1O	REAL300000376534	0	36	-2.0	-107.66	334.77	4.19	-103.47
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C=C1O	REAL300000376535	0	39	-2.0	-107.37	360.17	4.64	-102.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1O	REAL300000376537	0	31	-3.0	-167.53	320.25	4.22	-163.31
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1O	REAL300000376537	1	32	-2.0	-110.45	322.96	4.19	-106.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1O	REAL300000376538	0	28	-2.0	-100.69	275.62	1.36	-99.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)C=C1O	REAL300000376539	0	29	-2.0	-108.50	301.00	3.76	-104.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(F)(F)F	REAL300000376540	1	35	-2.0	-106.46	328.63	4.60	-101.86
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CC=C21	REAL300000376541	1	39	-2.0	-107.09	354.44	3.98	-103.11
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376542	0	32	-2.0	-107.95	322.25	2.74	-105.21
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376543	1	37	-2.0	-106.44	332.66	5.47	-100.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1O	REAL300000376544	1	34	-2.0	-110.82	310.37	3.50	-107.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C=C1O	REAL300000376545	0	35	-2.0	-110.03	347.03	3.84	-106.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C1O	REAL300000376546	0	28	-2.0	-101.86	299.35	2.21	-99.65
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1OCC(=O)[O-]	REAL300000376547	0	39	-2.0	-103.90	356.32	4.62	-99.28
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C12	REAL300000376549	1	37	-2.0	-104.09	340.52	2.81	-101.28
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C12	REAL300000376550	0	33	-2.0	-100.31	313.95	0.05	-100.26
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000376551	0	29	-2.0	-99.21	290.14	1.59	-97.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)C=C1O	REAL300000376552	1	38	-2.0	-110.98	355.74	5.92	-105.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1O	REAL300000376553	0	29	-2.0	-111.24	285.98	3.20	-108.04
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(F)=C1	REAL300000376554	0	33	-2.0	-112.01	312.19	2.66	-109.35
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376555	0	35	-2.0	-117.13	336.16	4.99	-112.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1O	REAL300000376556	0	31	-2.0	-115.06	309.47	4.98	-110.08
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376557	0	35	-2.0	-112.45	325.09	4.46	-107.99
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376557	1	34	-3.0	-166.43	323.37	4.46	-161.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1O	REAL300000376558	0	35	-2.0	-115.06	317.34	2.72	-112.34
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CN1C	REAL300000376559	0	32	-2.0	-118.09	297.73	1.98	-116.11
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000376560	0	36	-2.0	-108.95	342.46	3.97	-104.98
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000376560	1	35	-3.0	-159.51	339.96	3.98	-155.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1O	REAL300000376561	0	33	-2.0	-111.97	312.22	3.12	-108.85
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376562	1	38	-2.0	-112.36	350.86	4.65	-107.71
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000376563	0	32	-2.0	-106.82	300.28	1.64	-105.18
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376564	1	41	-2.0	-104.00	372.34	5.45	-98.55
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CN=C21	REAL300000376565	0	37	-2.0	-101.57	343.55	0.56	-101.01
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376566	1	36	-2.0	-111.41	329.27	2.79	-108.62
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376567	0	35	-2.0	-117.15	325.83	4.54	-112.61
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C=C1O	REAL300000376568	0	37	-2.0	-117.42	337.19	3.61	-113.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C=C1O	REAL300000376569	0	32	-2.0	-107.95	318.44	4.14	-103.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C=C1O	REAL300000376570	0	32	-2.0	-104.67	306.47	4.53	-100.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C=C1O	REAL300000376571	0	29	-2.0	-108.06	306.29	3.17	-104.89
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000376572	0	39	-2.0	-130.36	354.32	4.60	-125.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1O	REAL300000376573	1	34	-2.0	-107.93	310.17	2.37	-105.56
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1F	REAL300000376574	1	38	-2.0	-102.68	355.41	4.68	-98.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1O	REAL300000376575	0	29	-2.0	-106.37	293.73	3.70	-102.67
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C2)=CO1	REAL300000376576	1	38	-2.0	-112.08	350.60	2.14	-109.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=C1O	REAL300000376579	1	33	-2.0	-103.51	318.50	-0.08	-103.59
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376580	1	33	-2.0	-111.31	303.71	2.37	-108.94
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376581	1	32	-2.0	-110.25	289.27	3.86	-106.39
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376582	0	35	-2.0	-112.72	335.80	1.29	-111.43
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376582	1	34	-3.0	-168.98	333.81	0.10	-168.88
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C(F)C=C1F	REAL300000376588	0	35	-2.0	-102.79	339.00	3.81	-98.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(F)=C1	REAL300000376589	0	32	-2.0	-113.05	301.12	3.81	-109.24
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1Cl	REAL300000376590	0	33	-2.0	-105.38	332.82	3.49	-101.89
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1F	REAL300000376591	1	32	-2.0	-103.22	300.93	3.77	-99.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)O1	REAL300000376592	0	32	-2.0	-102.93	313.75	1.87	-101.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1O	REAL300000376593	0	34	-2.0	-125.16	314.16	3.70	-121.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C=C1O	REAL300000376594	0	35	-2.0	-113.67	340.62	3.77	-109.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1O	REAL300000376595	0	29	-2.0	-100.99	292.40	3.26	-97.73
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376596	1	41	-2.0	-111.74	362.08	1.99	-109.75
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C(C(=O)[O-])S1	REAL300000376597	0	32	-2.0	-117.37	314.22	3.52	-113.85
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C(C(=O)[O-])S1	REAL300000376597	1	31	-3.0	-172.19	311.26	3.54	-168.65
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1C	REAL300000376598	1	38	-2.0	-111.48	338.53	4.41	-107.07
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376599	0	33	-2.0	-111.52	316.81	2.94	-108.58
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CN=C1Cl	REAL300000376600	0	31	-2.0	-101.08	304.85	2.30	-98.78
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376601	0	35	-2.0	-117.23	332.35	0.66	-116.57
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376603	1	38	-2.0	-114.77	351.15	4.52	-110.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)N(C)C	REAL300000376605	1	43	-2.0	-108.50	376.37	2.83	-105.67
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C21	REAL300000376606	1	40	-2.0	-130.41	353.37	4.12	-126.29
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376607	0	41	-2.0	-108.67	353.39	3.69	-104.98
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)SC=C1	REAL300000376608	0	29	-2.0	-110.23	284.96	2.70	-107.53
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376609	1	35	-2.0	-106.36	345.71	4.24	-102.12
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1C	REAL300000376610	0	38	-2.0	-108.15	333.64	3.01	-105.14
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C	REAL300000376611	1	38	-2.0	-104.91	345.00	4.26	-100.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1[N+](=O)[O-]	REAL300000376612	0	34	-2.0	-99.00	318.41	4.26	-94.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C1O	REAL300000376614	1	37	-2.0	-121.20	333.78	1.53	-119.67
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376615	1	38	-2.0	-122.90	359.23	1.27	-121.63
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376616	1	33	-2.0	-106.99	310.46	4.25	-102.74
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1F	REAL300000376617	1	36	-2.0	-116.60	335.40	2.09	-114.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1[N+](=O)[O-]	REAL300000376618	0	34	-2.0	-107.51	326.58	4.44	-103.07
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376619	1	41	-2.0	-109.67	327.61	5.96	-103.71
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CC(Cl)=C2O1	REAL300000376620	1	37	-2.0	-105.66	347.98	4.19	-101.47
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1C	REAL300000376621	1	39	-2.0	-126.14	348.82	2.88	-123.26
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C21	REAL300000376622	1	43	-2.0	-130.89	366.68	4.69	-126.20
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376623	0	33	-2.0	-110.99	311.84	3.54	-107.45
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376624	1	33	-2.0	-102.96	310.45	4.24	-98.72
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376625	1	41	-2.0	-111.46	338.97	6.30	-105.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C=C1O	REAL300000376627	1	38	-2.0	-115.87	342.87	3.14	-112.73
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1OC	REAL300000376628	1	39	-2.0	-108.02	356.28	3.77	-104.25
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(F)=C1	REAL300000376629	0	30	-2.0	-105.36	300.50	3.53	-101.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C=C1O	REAL300000376630	0	32	-2.0	-113.47	312.66	5.13	-108.34
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C2O1	REAL300000376631	1	34	-2.0	-107.19	317.85	0.73	-106.46
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000376632	0	35	-2.0	-106.67	318.97	2.16	-104.51
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376633	0	34	-2.0	-112.11	313.30	-0.58	-112.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1O	REAL300000376634	1	34	-2.0	-109.88	315.17	3.47	-106.41
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000376635	0	35	-2.0	-112.57	333.55	1.84	-110.73
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CN1	REAL300000376636	0	35	-2.0	-115.79	318.17	1.51	-114.28
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C([N+](=O)[O-])=C1	REAL300000376637	0	32	-2.0	-111.37	316.04	4.87	-106.50
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=NN1C1=CC=CC=N1	REAL300000376639	0	38	-2.0	-111.62	346.40	4.46	-107.16
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376641	0	33	-2.0	-106.86	331.02	4.37	-102.49
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1O	REAL300000376642	1	29	-2.0	-95.32	293.19	3.26	-92.06
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376643	1	40	-2.0	-107.11	356.82	4.91	-102.20
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CN1C	REAL300000376645	0	36	-2.0	-112.39	335.37	3.18	-109.21
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376646	1	44	-2.0	-108.96	364.63	5.86	-103.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(Cl)=C1	REAL300000376647	0	31	-3.0	-159.37	315.71	4.19	-155.18
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C(Cl)=C1	REAL300000376647	1	32	-2.0	-100.69	316.21	3.72	-96.97
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1O	REAL300000376648	0	32	-2.0	-106.68	309.69	3.67	-103.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1O	REAL300000376648	1	31	-3.0	-160.19	307.19	3.67	-156.52
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376649	1	37	-2.0	-103.26	340.68	2.48	-100.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C=C1O	REAL300000376650	0	36	-2.0	-110.68	339.16	4.35	-106.33
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376651	0	29	-2.0	-108.33	308.39	3.45	-104.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)C=C1O	REAL300000376652	1	29	-2.0	-100.59	301.22	3.74	-96.85
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376653	1	39	-2.0	-117.44	341.57	3.28	-114.16
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC(C)=C1F	REAL300000376654	1	35	-2.0	-103.86	321.24	4.41	-99.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2)C=C1O	REAL300000376655	1	29	-2.0	-100.62	301.22	3.74	-96.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(Cl)=C1Cl	REAL300000376656	0	33	-2.0	-107.34	331.28	3.44	-103.90
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000376657	0	40	-2.0	-112.36	361.94	3.83	-108.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C=C1O	REAL300000376658	0	32	-2.0	-103.97	319.03	1.15	-102.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376659	0	28	-3.0	-162.46	294.93	2.76	-159.70
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376660	0	38	-2.0	-117.44	338.91	4.33	-113.11
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376661	0	32	-2.0	-97.00	311.56	3.69	-93.31
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376661	1	31	-3.0	-165.83	309.07	3.70	-162.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1F	REAL300000376662	0	34	-3.0	-173.99	328.43	4.33	-169.66
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376663	1	43	-2.0	-106.52	367.02	5.13	-101.39
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CN1	REAL300000376664	0	33	-2.0	-110.00	317.60	1.42	-108.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(F)=C1	REAL300000376665	0	31	-3.0	-160.59	308.13	3.70	-156.89
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C(F)=C1	REAL300000376665	1	32	-2.0	-105.71	301.32	3.28	-102.43
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1O	REAL300000376666	0	32	-2.0	-103.63	317.66	4.03	-99.60
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1O	REAL300000376666	1	31	-3.0	-158.64	315.16	4.03	-154.61
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376667	1	32	-2.0	-105.85	295.00	3.89	-101.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1Br	REAL300000376668	1	32	-2.0	-106.90	313.70	4.27	-102.63
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1C	REAL300000376669	1	38	-2.0	-106.79	345.01	4.25	-102.54
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CS1	REAL300000376670	0	32	-2.0	-108.68	321.47	2.76	-105.92
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1F	REAL300000376671	1	35	-2.0	-102.52	333.55	3.75	-98.77
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376672	0	31	-2.0	-106.60	300.71	1.57	-105.03
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376673	1	33	-2.0	-115.17	316.45	4.25	-110.92
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376674	1	37	-2.0	-98.38	332.55	5.41	-92.97
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1[O-]	REAL300000376675	1	37	-2.0	-103.93	339.28	0.00	-103.93
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376678	0	35	-2.0	-113.26	333.80	4.85	-108.41
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376678	1	34	-3.0	-168.43	332.10	4.84	-163.59
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376679	1	35	-2.0	-106.29	328.42	4.86	-101.43
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376680	0	29	-2.0	-102.90	307.40	3.39	-99.51
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376681	1	35	-2.0	-110.57	317.09	4.50	-106.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C=C1O	REAL300000376682	0	32	-2.0	-106.08	329.84	5.02	-101.06
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376683	1	32	-2.0	-106.23	302.02	3.81	-102.42
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376685	0	40	-2.0	-104.90	368.89	5.04	-99.86
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376685	1	39	-3.0	-158.69	366.41	5.04	-153.65
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376686	0	35	-2.0	-104.06	332.09	2.53	-101.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=C1O	REAL300000376687	1	35	-2.0	-106.16	325.58	2.14	-104.02
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1O	REAL300000376688	0	32	-2.0	-117.20	315.98	3.72	-113.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1O	REAL300000376688	1	31	-3.0	-162.98	313.48	3.72	-159.26
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376689	0	34	-2.0	-97.12	333.36	4.30	-92.82
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376689	1	33	-3.0	-159.86	330.85	4.30	-155.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C=C1O	REAL300000376690	0	32	-2.0	-110.55	327.57	4.95	-105.60
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376691	0	39	-2.0	-119.08	357.14	3.54	-115.54
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376692	1	41	-2.0	-113.77	361.67	5.07	-108.70
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C(F)C=C1F	REAL300000376694	0	32	-2.0	-105.55	306.42	3.83	-101.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C=C1O	REAL300000376695	0	35	-2.0	-117.38	325.99	6.15	-111.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1O	REAL300000376696	1	35	-2.0	-117.59	315.25	5.39	-112.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1O	REAL300000376697	0	31	-2.0	-106.73	306.19	2.56	-104.17
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1[N+](=O)[O-]	REAL300000376698	0	34	-2.0	-105.72	334.22	4.93	-100.79
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(F)(F)F	REAL300000376699	1	33	-2.0	-99.48	330.84	4.25	-95.23
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376700	0	36	-2.0	-110.40	352.05	2.18	-108.22
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376701	1	32	-2.0	-105.80	307.77	4.37	-101.43
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376702	0	32	-3.0	-175.34	312.38	1.35	-173.99
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376702	1	32	-3.0	-176.67	311.60	2.15	-174.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1O	REAL300000376703	1	39	-2.0	-113.43	329.51	5.70	-107.73
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376704	0	34	-2.0	-108.84	338.04	2.48	-106.36
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376705	0	35	-2.0	-102.09	327.33	4.41	-97.68
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376705	1	34	-3.0	-165.66	324.83	4.42	-161.24
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1Cl	REAL300000376706	1	36	-2.0	-109.75	344.38	2.60	-107.15
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)O1	REAL300000376707	0	35	-2.0	-103.04	335.61	2.80	-100.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1O	REAL300000376708	0	31	-2.0	-99.14	308.82	3.81	-95.33
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376709	0	34	-2.0	-119.25	330.03	4.12	-115.13
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CC=C21	REAL300000376710	1	41	-2.0	-108.55	364.92	4.61	-103.94
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376711	1	34	-2.0	-101.84	329.94	4.91	-96.93
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376712	0	32	-2.0	-116.75	316.94	3.79	-112.96
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)SC=C1	REAL300000376713	0	30	-2.0	-117.20	296.37	1.37	-115.83
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376714	1	38	-2.0	-116.17	356.38	1.49	-114.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)OC2=CC=C(F)C=C12	REAL300000376715	0	35	-2.0	-106.86	327.95	4.36	-102.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1O	REAL300000376716	0	32	-2.0	-110.50	303.96	3.46	-107.04
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=CC=C2C=C1	REAL300000376717	0	37	-2.0	-126.85	335.72	4.32	-122.53
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C2=CC(Cl)=CC=C2S1	REAL300000376718	0	35	-2.0	-110.78	341.80	5.95	-104.83
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C21	REAL300000376719	1	40	-2.0	-105.53	357.50	2.59	-102.94
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C(Br)S1	REAL300000376720	0	29	-2.0	-102.75	304.11	3.58	-99.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C=C1O	REAL300000376721	1	35	-2.0	-109.50	329.62	5.81	-103.69
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC(F)=C1F	REAL300000376722	1	35	-2.0	-97.77	339.81	3.81	-93.96
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)SC2=CC=CC(F)=C12	REAL300000376723	0	35	-2.0	-112.76	334.17	5.11	-107.65
N#CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376724	1	30	-2.0	-100.80	316.32	4.08	-96.72
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1F	REAL300000376725	0	34	-2.0	-107.33	328.24	4.45	-102.88
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376726	0	31	-2.0	-114.04	307.45	1.83	-112.21
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=NC2=C1Cl	REAL300000376728	0	34	-2.0	-99.40	335.18	3.04	-96.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C=C1O	REAL300000376729	0	29	-2.0	-113.31	293.83	4.01	-109.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C=C1O	REAL300000376730	1	31	-2.0	-102.02	322.47	2.98	-99.04
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376731	0	29	-2.0	-99.42	290.23	1.99	-97.43
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)N=C1Cl	REAL300000376732	0	29	-2.0	-112.80	294.55	1.90	-110.90
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376733	1	37	-2.0	-112.07	333.18	1.68	-110.39
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1O	REAL300000376734	0	32	-2.0	-117.21	325.86	4.16	-113.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1O	REAL300000376734	1	31	-3.0	-164.66	323.37	4.16	-160.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1O	REAL300000376735	0	30	-2.0	-113.42	290.03	1.82	-111.60
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1C	REAL300000376736	0	37	-2.0	-122.29	324.49	5.91	-116.38
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)S2)=CS1	REAL300000376737	0	35	-2.0	-108.35	353.64	3.63	-104.72
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376738	0	30	-2.0	-100.90	296.42	0.91	-99.99
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376739	0	28	-2.0	-105.34	282.73	0.91	-104.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1Cl	REAL300000376740	1	35	-2.0	-102.48	341.53	4.11	-98.37
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376741	1	34	-2.0	-101.09	322.00	4.57	-96.52
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376742	0	35	-2.0	-101.33	315.11	4.24	-97.09
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376742	1	34	-3.0	-172.00	312.21	4.31	-167.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C=C1O	REAL300000376744	1	36	-2.0	-126.60	338.81	0.94	-125.66
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=CC(C(=O)[O-])=C1F	REAL300000376745	0	35	-2.0	-102.71	329.99	4.28	-98.43
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC(C(=O)[O-])=C1F	REAL300000376745	1	34	-3.0	-173.93	327.50	4.28	-169.65
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376746	0	35	-2.0	-108.04	319.93	4.41	-103.63
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376747	0	35	-2.0	-115.06	333.12	4.19	-110.87
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(F)=C1	REAL300000376749	0	30	-2.0	-106.68	303.49	3.75	-102.93
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C(C)N1	REAL300000376750	0	42	-2.0	-109.07	370.18	3.77	-105.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000376751	0	32	-2.0	-108.47	306.41	3.84	-104.63
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1[N+](=O)[O-]	REAL300000376752	0	35	-2.0	-99.05	329.73	3.82	-95.23
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=CC(C(=O)[O-])=C1C	REAL300000376753	0	38	-2.0	-126.04	341.96	4.80	-121.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C=C1O	REAL300000376754	1	35	-2.0	-118.56	331.93	5.90	-112.66
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000376755	0	35	-2.0	-108.22	339.31	0.62	-107.60
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1O	REAL300000376756	0	33	-3.0	-172.90	329.22	4.72	-168.18
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1O	REAL300000376756	1	34	-2.0	-129.18	331.94	4.70	-124.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=C1O	REAL300000376757	0	32	-2.0	-106.09	319.53	4.58	-101.51
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1CC	REAL300000376758	1	41	-2.0	-110.98	351.25	5.64	-105.34
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376759	0	31	-3.0	-163.63	314.42	3.76	-159.87
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC([N+](=O)[O-])=C1F	REAL300000376760	1	34	-2.0	-100.08	327.24	4.40	-95.68
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376761	0	35	-2.0	-114.13	336.16	4.98	-109.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C1O	REAL300000376762	0	28	-2.0	-107.06	293.20	2.52	-104.54
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376763	0	35	-2.0	-116.53	319.81	3.46	-113.07
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000376764	0	34	-2.0	-101.15	324.93	1.91	-99.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=C1O	REAL300000376765	0	28	-2.0	-99.24	299.63	2.25	-96.99
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C(C)=C1C(=O)[O-]	REAL300000376766	0	38	-2.0	-106.95	338.28	5.02	-101.93
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)[N-]C4=CC=C(C(=O)[O-])C(O)=C4)C=CC1=C23	REAL300000376767	1	40	-2.0	-109.88	359.97	5.00	-104.88
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000376768	0	34	-3.0	-174.99	327.98	4.33	-170.66
CC1=CC(F)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000376768	1	35	-2.0	-110.74	330.60	4.31	-106.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1Cl	REAL300000376769	0	34	-3.0	-173.31	334.41	4.77	-168.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=C1Cl	REAL300000376769	1	35	-2.0	-111.14	334.92	4.29	-106.85
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376770	0	34	-3.0	-180.39	327.70	4.32	-176.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C=C1O	REAL300000376771	0	29	-2.0	-97.55	301.44	3.55	-94.00
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376772	1	37	-2.0	-119.53	337.28	4.34	-115.19
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000376773	0	36	-2.0	-105.08	333.95	0.69	-104.39
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C([N+](=O)[O-])=N1	REAL300000376774	0	34	-2.0	-114.45	324.52	3.91	-110.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)C=C1O	REAL300000376775	0	29	-2.0	-105.78	297.09	3.85	-101.93
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1Br	REAL300000376776	0	32	-2.0	-111.17	308.90	4.35	-106.82
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000376777	0	38	-2.0	-120.73	339.31	4.79	-115.94
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000376777	1	37	-3.0	-178.16	336.91	4.82	-173.34
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=C1O	REAL300000376778	0	40	-2.0	-106.82	351.36	1.61	-105.21
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1C#N	REAL300000376781	0	33	-2.0	-117.53	311.46	3.88	-113.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)C=C1O	REAL300000376782	0	32	-2.0	-102.28	326.08	4.63	-97.65
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376783	0	35	-2.0	-105.98	325.03	3.55	-102.43
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376784	0	38	-2.0	-108.91	347.20	4.72	-104.19
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376785	0	35	-2.0	-116.71	321.69	3.83	-112.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1O	REAL300000376786	0	37	-2.0	-105.20	332.26	0.83	-104.37
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376788	0	37	-2.0	-108.26	347.63	5.14	-103.12
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1F	REAL300000376789	0	32	-2.0	-114.37	300.02	3.79	-110.58
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000376790	0	35	-2.0	-102.81	323.23	0.70	-102.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1O	REAL300000376791	0	36	-2.0	-118.31	319.99	3.12	-115.19
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1CC(=O)[O-]	REAL300000376792	0	39	-2.0	-117.33	355.63	3.76	-113.57
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376793	1	36	-2.0	-109.40	329.27	2.80	-106.60
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376794	0	34	-2.0	-113.02	313.47	0.06	-112.96
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1Cl	REAL300000376795	0	32	-2.0	-111.67	306.07	4.21	-107.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C(C)O1	REAL300000376797	0	32	-2.0	-107.46	297.18	2.65	-104.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)C=C1O	REAL300000376798	0	35	-2.0	-114.15	320.46	0.74	-113.41
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C2)CC1	REAL300000376800	1	42	-2.0	-109.65	372.54	5.70	-103.95
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376801	1	38	-2.0	-105.52	357.25	4.72	-100.80
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376802	1	36	-2.0	-108.44	320.80	3.11	-105.33
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C(C(=O)OC)O1	REAL300000376803	0	38	-2.0	-104.43	351.19	3.49	-100.94
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376805	0	32	-2.0	-109.45	307.85	3.49	-105.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1O	REAL300000376806	1	32	-2.0	-106.06	300.24	1.73	-104.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C2=NC=CC=C2C=C1	REAL300000376807	0	37	-2.0	-125.63	327.83	4.84	-120.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1O	REAL300000376808	0	35	-2.0	-119.31	323.49	5.10	-114.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C=C1O	REAL300000376809	0	35	-2.0	-100.81	342.80	1.16	-99.65
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376810	0	35	-2.0	-113.50	325.83	4.54	-108.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1O	REAL300000376811	0	31	-2.0	-96.82	306.95	3.77	-93.05
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376812	0	35	-2.0	-98.60	330.86	4.79	-93.81
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376812	1	34	-3.0	-164.77	328.93	4.83	-159.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1O	REAL300000376813	1	29	-2.0	-100.96	297.34	3.66	-97.30
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C(C)O1	REAL300000376814	0	35	-2.0	-104.39	332.06	2.64	-101.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1O	REAL300000376815	0	28	-2.0	-100.85	285.97	1.78	-99.07
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000376816	0	35	-2.0	-99.78	336.38	4.59	-95.19
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000376816	1	34	-3.0	-173.13	333.89	4.59	-168.54
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)N=C1C	REAL300000376817	0	35	-2.0	-117.96	319.74	2.89	-115.07
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376818	0	32	-2.0	-110.52	312.10	4.45	-106.07
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376819	0	32	-2.0	-111.07	308.74	4.30	-106.77
CCN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000376820	0	36	-2.0	-102.83	333.18	3.84	-98.99
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000376820	1	35	-3.0	-174.70	330.68	3.85	-170.85
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376821	0	32	-2.0	-107.31	314.09	1.82	-105.49
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376822	0	41	-2.0	-109.49	350.34	3.66	-105.83
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CN1C	REAL300000376823	0	39	-2.0	-111.95	357.23	4.11	-107.84
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376824	1	37	-2.0	-104.01	336.23	5.13	-98.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1O	REAL300000376825	0	29	-2.0	-113.89	290.25	3.88	-110.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(Cl)=N1	REAL300000376826	0	31	-2.0	-108.54	304.10	2.39	-106.15
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376827	0	34	-2.0	-108.55	323.25	3.27	-105.28
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C=C1O	REAL300000376828	0	36	-2.0	-110.02	339.25	4.27	-105.75
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1Cl	REAL300000376829	1	33	-2.0	-105.89	329.40	4.55	-101.34
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376830	0	31	-2.0	-104.86	304.21	1.65	-103.21
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C12	REAL300000376831	0	36	-2.0	-99.47	335.44	0.79	-98.68
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376832	0	31	-2.0	-104.02	313.50	3.45	-100.57
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CN=C1Cl	REAL300000376834	0	32	-2.0	-99.25	315.05	1.03	-98.22
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CC=C21	REAL300000376835	1	38	-2.0	-106.48	350.13	4.03	-102.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C=C1O	REAL300000376836	1	41	-2.0	-108.18	358.57	4.52	-103.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=C1O	REAL300000376837	0	31	-2.0	-99.04	308.91	2.32	-96.72
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376838	1	35	-2.0	-105.96	335.39	3.79	-102.17
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C(C)=C1CC(=O)[O-]	REAL300000376839	0	44	-2.0	-101.22	366.46	6.31	-94.91
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)C=C1O	REAL300000376840	0	32	-2.0	-107.92	320.80	0.17	-107.75
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376841	0	44	-2.0	-108.43	372.54	4.52	-103.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C)=C1F	REAL300000376842	1	36	-2.0	-105.54	324.29	3.19	-102.35
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(Cl)=C1	REAL300000376843	0	30	-2.0	-103.23	308.09	4.03	-99.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1O	REAL300000376844	0	32	-2.0	-117.65	302.13	3.39	-114.26
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376845	0	34	-2.0	-105.74	324.17	1.93	-103.81
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376846	0	40	-2.0	-118.27	364.34	3.18	-115.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=C1O	REAL300000376847	0	26	-2.0	-102.69	278.58	1.81	-100.88
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C(C2=CC=CC=C2)S1	REAL300000376848	0	38	-2.0	-116.46	354.90	4.66	-111.80
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C(C2=CC=CC=C2)O1	REAL300000376849	0	38	-2.0	-115.34	348.54	2.19	-113.15
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1[N+](=O)[O-]	REAL300000376850	1	37	-2.0	-108.51	333.52	5.06	-103.45
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376851	0	39	-2.0	-116.48	337.74	4.83	-111.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C=C1O	REAL300000376852	0	29	-2.0	-106.01	295.27	3.49	-102.52
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376856	1	41	-2.0	-112.98	366.28	5.44	-107.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C=C1O	REAL300000376857	0	29	-2.0	-102.19	309.38	4.18	-98.01
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376858	0	29	-2.0	-102.63	303.17	3.29	-99.34
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(OC)=C1	REAL300000376859	0	39	-2.0	-110.61	357.19	3.53	-107.08
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1O	REAL300000376860	1	32	-2.0	-109.23	306.38	3.94	-105.29
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C=C1O	REAL300000376861	0	32	-2.0	-104.36	318.45	4.14	-100.22
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376862	1	32	-2.0	-106.32	316.90	4.35	-101.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1O	REAL300000376863	0	32	-2.0	-106.06	312.13	1.97	-104.09
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376864	1	33	-2.0	-116.26	310.28	4.14	-112.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C=C1O	REAL300000376865	1	32	-2.0	-110.42	319.58	0.30	-110.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C=C1O	REAL300000376867	0	37	-2.0	-103.71	343.64	4.37	-99.34
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376868	1	38	-2.0	-112.63	328.21	5.08	-107.55
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C)=CS1	REAL300000376869	0	35	-2.0	-118.72	329.42	4.25	-114.47
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1F	REAL300000376870	1	33	-2.0	-102.45	309.94	2.45	-100.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1O	REAL300000376871	0	28	-2.0	-115.31	286.90	3.47	-111.84
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376872	0	37	-2.0	-116.46	347.61	5.14	-111.32
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CN=C21	REAL300000376873	1	34	-2.0	-104.34	318.55	2.21	-102.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1O	REAL300000376874	0	28	-2.0	-100.57	295.37	2.84	-97.73
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376876	1	37	-2.0	-110.65	341.41	1.29	-109.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C=C1O	REAL300000376877	1	32	-2.0	-100.44	329.66	4.58	-95.86
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1[N+](=O)[O-]	REAL300000376878	1	35	-2.0	-98.01	337.68	3.90	-94.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1O	REAL300000376879	0	33	-2.0	-110.44	302.18	2.52	-107.92
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376880	0	30	-2.0	-106.67	308.11	4.03	-102.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C1O	REAL300000376881	0	32	-2.0	-107.30	318.16	2.14	-105.16
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376882	1	35	-2.0	-108.99	304.44	4.80	-104.19
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376883	0	37	-2.0	-122.72	328.18	3.58	-119.14
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376885	0	32	-2.0	-114.15	293.80	4.05	-110.10
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376886	1	32	-2.0	-103.60	310.98	4.47	-99.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C=C1O	REAL300000376887	0	33	-2.0	-122.35	312.58	3.15	-119.20
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376888	0	42	-2.0	-107.96	365.31	4.58	-103.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)C=C1O	REAL300000376889	0	29	-2.0	-105.69	301.00	3.76	-101.93
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=CC=C12	REAL300000376890	0	37	-2.0	-125.02	332.07	4.26	-120.76
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376892	1	33	-2.0	-112.54	325.45	0.36	-112.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1O	REAL300000376893	0	30	-2.0	-115.70	298.97	1.39	-114.31
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376894	0	32	-2.0	-105.99	298.79	0.55	-105.44
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)C=C1O	REAL300000376895	0	29	-2.0	-110.09	300.29	3.74	-106.35
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1OC	REAL300000376896	0	39	-2.0	-105.58	356.29	3.78	-101.80
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1)OCO2	REAL300000376898	1	35	-2.0	-106.87	315.29	2.53	-104.34
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376900	0	35	-2.0	-108.13	324.38	4.29	-103.84
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000376901	0	35	-2.0	-117.52	338.90	4.70	-112.82
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000376901	1	34	-3.0	-170.02	336.40	4.70	-165.32
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376902	1	39	-2.0	-109.10	344.74	2.91	-106.19
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376903	0	38	-2.0	-122.88	341.30	5.40	-117.48
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376904	0	37	-2.0	-111.88	331.15	1.40	-110.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)C=C1O	REAL300000376905	0	35	-2.0	-117.61	335.39	4.62	-112.99
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376907	0	32	-2.0	-112.69	319.17	0.57	-112.12
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376907	1	31	-3.0	-167.37	315.88	-0.55	-167.92
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000376908	1	36	-2.0	-109.14	335.41	2.09	-107.05
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1OC	REAL300000376909	0	37	-2.0	-107.61	346.01	2.84	-104.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C=C1O	REAL300000376910	1	33	-2.0	-105.15	319.67	2.72	-102.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C=C1O	REAL300000376911	1	32	-2.0	-99.13	318.53	4.13	-95.00
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C(C(=O)[O-])S1	REAL300000376912	0	40	-3.0	-173.78	352.09	5.77	-168.01
CC(C)(C)C1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C(C(=O)[O-])S1	REAL300000376912	1	41	-2.0	-108.59	355.70	5.14	-103.45
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000376913	0	34	-2.0	-111.22	330.97	-1.31	-112.53
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376914	1	33	-2.0	-113.17	307.04	4.35	-108.82
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376915	1	33	-2.0	-114.98	316.44	4.24	-110.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C1O	REAL300000376916	0	29	-2.0	-103.74	304.06	4.15	-99.59
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(N)=NO1	REAL300000376918	0	30	-2.0	-99.42	280.63	0.48	-98.94
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1)OCC(=O)N2	REAL300000376919	0	39	-2.0	-113.11	353.16	0.10	-113.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C=C1O	REAL300000376920	0	29	-2.0	-102.35	304.21	4.46	-97.89
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376921	0	33	-2.0	-112.75	319.19	3.38	-109.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1O	REAL300000376922	0	30	-2.0	-104.99	301.70	1.85	-103.14
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376925	1	36	-2.0	-111.86	319.16	3.15	-108.71
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1Br	REAL300000376926	1	30	-2.0	-99.89	314.69	3.97	-95.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C=C1O	REAL300000376928	0	31	-2.0	-100.85	324.10	4.31	-96.54
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000376929	0	27	-2.0	-100.60	286.71	2.62	-97.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C=C1O	REAL300000376930	0	31	-2.0	-97.16	320.36	4.18	-92.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000376931	0	31	-2.0	-106.51	290.80	1.91	-104.60
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1O	REAL300000376932	0	34	-2.0	-108.89	315.38	3.44	-105.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(F)=C1	REAL300000376933	0	35	-2.0	-107.59	334.45	3.80	-103.79
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000376934	0	35	-2.0	-103.91	333.53	3.76	-100.15
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376935	0	37	-2.0	-119.02	350.34	4.91	-114.11
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1C#N	REAL300000376936	1	33	-2.0	-102.39	314.17	3.96	-98.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1O	REAL300000376937	0	28	-2.0	-95.62	291.94	1.76	-93.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(F)=C1	REAL300000376938	0	33	-2.0	-110.66	309.18	2.43	-108.23
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1[N+](=O)[O-]	REAL300000376939	0	37	-2.0	-121.20	334.99	6.26	-114.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C=C1O	REAL300000376940	1	35	-2.0	-110.04	335.18	4.86	-105.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C=C1O	REAL300000376942	0	33	-2.0	-114.64	321.97	3.95	-110.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1O	REAL300000376943	1	32	-2.0	-107.63	308.37	4.00	-103.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=C1O	REAL300000376944	1	39	-2.0	-113.75	348.40	6.49	-107.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)N(C)N=C1	REAL300000376946	0	32	-2.0	-102.17	291.08	1.54	-100.63
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376947	0	38	-2.0	-113.68	356.33	4.71	-108.97
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CN1C	REAL300000376948	0	41	-2.0	-109.65	376.21	4.29	-105.36
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)O1	REAL300000376950	0	27	-2.0	-101.03	278.13	1.62	-99.41
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C(F)C=C1C	REAL300000376951	0	41	-2.0	-108.46	372.35	5.26	-103.20
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376952	1	43	-2.0	-119.44	385.74	1.27	-118.17
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376953	0	40	-2.0	-118.32	357.53	2.58	-115.74
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1C(=O)[O-]	REAL300000376954	0	35	-2.0	-103.27	321.34	4.15	-99.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000376955	0	32	-2.0	-102.86	301.37	-0.24	-103.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1O	REAL300000376956	0	29	-2.0	-108.68	296.43	3.65	-105.03
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376958	1	40	-2.0	-109.88	352.79	4.21	-105.67
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376959	0	38	-2.0	-111.40	351.73	5.85	-105.55
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376960	0	38	-2.0	-111.12	347.55	5.56	-105.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C=C1O	REAL300000376961	0	32	-2.0	-107.73	316.80	4.98	-102.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1O	REAL300000376962	0	32	-2.0	-110.82	310.77	4.44	-106.38
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376963	1	41	-2.0	-115.58	373.01	5.44	-110.14
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376964	0	35	-2.0	-122.92	330.90	5.16	-117.76
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)N(C)N=C1	REAL300000376965	0	38	-2.0	-109.07	345.30	3.07	-106.00
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376966	0	42	-2.0	-118.67	379.00	4.46	-114.21
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1C	REAL300000376967	1	41	-2.0	-107.02	366.87	5.18	-101.84
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=C2O1	REAL300000376968	0	40	-2.0	-121.15	352.07	4.29	-116.86
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1C(F)(F)F	REAL300000376969	1	33	-2.0	-99.03	330.86	4.26	-94.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1O	REAL300000376970	0	32	-2.0	-113.84	300.81	1.71	-112.13
N#CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376971	0	30	-2.0	-112.87	311.99	3.87	-109.00
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376972	1	35	-2.0	-102.17	328.42	4.84	-97.33
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376973	1	36	-2.0	-111.55	325.55	3.30	-108.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1O	REAL300000376974	0	29	-2.0	-110.41	296.54	3.94	-106.47
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C2C=C1	REAL300000376976	1	38	-2.0	-111.69	341.49	6.01	-105.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1O	REAL300000376977	0	26	-2.0	-108.54	282.18	2.54	-106.00
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376978	1	38	-2.0	-106.46	358.44	4.93	-101.53
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376979	0	29	-2.0	-107.73	287.77	2.74	-104.99
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000376980	1	42	-2.0	-113.94	370.22	3.43	-110.51
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1O	REAL300000376981	0	26	-2.0	-105.18	272.49	-0.12	-105.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C=C1O	REAL300000376982	0	34	-2.0	-116.79	328.72	4.14	-112.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1O	REAL300000376983	0	28	-2.0	-103.65	281.12	1.19	-102.46
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376984	1	36	-2.0	-105.30	342.42	3.37	-101.93
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376985	0	38	-2.0	-103.64	338.67	2.14	-101.50
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000376986	0	38	-2.0	-103.26	343.36	1.63	-101.63
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C([N+](=O)[O-])=C1	REAL300000376987	0	36	-3.0	-170.54	345.93	5.82	-164.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1O	REAL300000376990	0	32	-2.0	-105.03	310.38	3.53	-101.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C=C1O	REAL300000376991	0	32	-2.0	-111.41	326.72	5.08	-106.33
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000376992	0	34	-2.0	-115.93	321.23	2.06	-113.87
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000376993	0	28	-2.0	-101.99	282.69	1.37	-100.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C=C1O	REAL300000376994	0	31	-2.0	-105.93	317.87	5.07	-100.86
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C=C1O	REAL300000376996	0	33	-2.0	-91.72	321.84	2.62	-89.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C=C1O	REAL300000376996	1	33	-2.0	-107.46	323.03	1.78	-105.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C=C1O	REAL300000376997	0	35	-2.0	-104.18	330.11	4.48	-99.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)C=C1O	REAL300000376998	0	31	-2.0	-100.59	322.22	2.79	-97.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1O	REAL300000377000	1	36	-2.0	-109.10	323.42	5.18	-103.92
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377001	1	38	-2.0	-105.94	367.57	5.16	-100.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1O	REAL300000377002	0	26	-2.0	-110.85	272.48	2.13	-108.72
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CC=C2NC1=O	REAL300000377003	1	38	-2.0	-105.99	345.27	2.82	-103.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C=C1O	REAL300000377004	0	35	-2.0	-121.60	335.03	1.51	-120.09
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C(F)(F)F)=N1	REAL300000377005	0	32	-2.0	-108.58	312.84	1.92	-106.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1O	REAL300000377006	1	38	-2.0	-108.59	339.03	4.67	-103.92
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000377007	1	30	-2.0	-100.02	300.90	3.50	-96.52
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000377010	0	34	-2.0	-100.99	326.56	4.45	-96.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377011	0	35	-2.0	-120.92	324.51	4.44	-116.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=C1O	REAL300000377012	0	30	-2.0	-106.78	307.09	2.36	-104.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1O	REAL300000377013	0	33	-3.0	-183.61	326.40	5.50	-178.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C=C1O	REAL300000377015	0	33	-2.0	-108.41	325.50	2.94	-105.47
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CC=C2N=C1Cl	REAL300000377016	1	37	-2.0	-105.30	350.67	4.47	-100.83
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C(F)C=C1C	REAL300000377018	0	38	-2.0	-108.30	350.49	4.33	-103.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C1O	REAL300000377019	0	29	-2.0	-100.58	306.77	3.26	-97.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1O	REAL300000377020	0	34	-2.0	-114.26	311.19	-0.01	-114.27
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000377021	0	32	-2.0	-110.73	305.65	3.61	-107.12
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CN=C1C	REAL300000377022	0	37	-2.0	-101.47	340.44	2.42	-99.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1O	REAL300000377023	0	30	-2.0	-98.91	297.60	1.94	-96.97
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000377024	1	41	-2.0	-111.52	377.87	2.29	-109.23
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377025	0	31	-2.0	-100.33	301.75	2.45	-97.88
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C(Br)N1C	REAL300000377026	0	32	-2.0	-116.19	314.81	2.53	-113.66
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1C(F)(F)F	REAL300000377027	1	35	-2.0	-102.30	328.63	4.59	-97.71
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377028	1	38	-2.0	-115.82	351.15	4.51	-111.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=C1O	REAL300000377029	1	31	-2.0	-99.87	313.95	2.95	-96.92
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=NN1C	REAL300000377033	0	32	-2.0	-107.91	294.84	1.32	-106.59
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000377034	1	33	-2.0	-109.69	305.29	4.16	-105.53
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377035	1	42	-2.0	-120.46	368.16	3.93	-116.53
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377036	0	32	-2.0	-107.45	297.58	1.43	-106.02
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377037	1	36	-2.0	-106.81	346.00	3.30	-103.51
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377038	0	29	-2.0	-100.55	290.08	1.68	-98.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)OC(C)C	REAL300000377039	1	44	-2.0	-107.54	387.12	5.90	-101.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C=C1O	REAL300000377041	1	34	-2.0	-107.07	320.62	0.27	-106.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1O	REAL300000377042	0	29	-2.0	-106.04	289.88	0.60	-105.44
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C1O	REAL300000377043	0	35	-2.0	-102.42	320.49	3.00	-99.42
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377044	1	42	-2.0	-106.91	384.05	3.44	-103.47
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=CC=C12	REAL300000377045	1	43	-2.0	-113.72	368.66	5.24	-108.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C=C1O	REAL300000377047	1	31	-2.0	-106.38	322.36	3.00	-103.38
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1Cl	REAL300000377048	0	37	-2.0	-112.36	347.95	2.74	-109.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C=C1O	REAL300000377049	0	37	-2.0	-99.97	345.35	1.64	-98.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C=C1O	REAL300000377050	1	36	-2.0	-114.72	330.20	2.83	-111.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C=C1O	REAL300000377051	0	32	-2.0	-105.85	311.41	0.65	-105.20
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377052	1	42	-2.0	-111.62	368.45	4.06	-107.56
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1Cl	REAL300000377053	1	33	-2.0	-103.06	319.74	2.93	-100.13
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000377054	0	33	-2.0	-117.85	325.79	-0.29	-118.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1O	REAL300000377055	0	31	-3.0	-179.67	306.32	3.67	-176.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C1O	REAL300000377056	0	26	-2.0	-112.62	273.56	1.07	-111.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1O	REAL300000377057	0	31	-2.0	-119.65	305.40	2.50	-117.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1O	REAL300000377058	1	34	-2.0	-111.59	310.00	2.92	-108.67
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C1O	REAL300000377060	0	35	-2.0	-116.54	324.72	5.38	-111.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C=C1O	REAL300000377061	0	32	-2.0	-112.31	314.36	2.15	-110.16
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377062	0	35	-2.0	-114.14	342.60	4.60	-109.54
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377064	0	32	-2.0	-111.00	301.33	4.58	-106.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C=C1O	REAL300000377065	0	33	-2.0	-107.38	318.61	3.21	-104.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1O	REAL300000377066	0	34	-2.0	-118.72	310.51	2.91	-115.81
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000377067	1	38	-2.0	-111.66	356.62	4.56	-107.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C2=CC=CC(C)=C2S1	REAL300000377068	0	38	-2.0	-111.59	345.39	6.09	-105.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C=C1O	REAL300000377069	0	33	-2.0	-107.53	328.93	3.65	-103.88
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(F)=C1	REAL300000377075	0	32	-2.0	-115.70	304.11	4.04	-111.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C1O	REAL300000377077	0	28	-2.0	-101.73	299.24	2.27	-99.46
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1Br	REAL300000377078	0	29	-2.0	-103.96	297.76	1.23	-102.73
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CC=C21	REAL300000377079	1	34	-2.0	-108.57	318.05	1.53	-107.04
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000377081	0	35	-2.0	-116.59	330.10	4.30	-112.29
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)[O-]	REAL300000377081	1	34	-3.0	-167.95	327.61	4.31	-163.64
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377083	0	33	-2.0	-112.90	308.87	2.92	-109.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C=C1O	REAL300000377084	1	32	-2.0	-99.99	313.78	2.17	-97.82
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1[N+](=O)[O-]	REAL300000377085	1	37	-2.0	-107.83	336.61	4.90	-102.93
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377086	0	45	-2.0	-118.05	378.61	5.20	-112.85
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1Cl	REAL300000377088	0	32	-2.0	-99.96	317.46	0.31	-99.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)C=C1O	REAL300000377089	1	33	-2.0	-104.52	323.94	1.22	-103.30
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1Cl	REAL300000377090	1	32	-2.0	-104.07	309.68	4.17	-99.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1O	REAL300000377091	1	35	-2.0	-118.14	322.29	4.06	-114.08
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C2)=N1	REAL300000377092	1	38	-2.0	-107.93	360.44	4.54	-103.39
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377093	0	38	-2.0	-114.60	354.74	4.42	-110.18
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C([N+](=O)[O-])S1	REAL300000377094	0	31	-2.0	-115.00	308.78	4.27	-110.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)C=C1O	REAL300000377096	0	31	-2.0	-100.14	312.69	3.08	-97.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=C1O	REAL300000377097	1	32	-2.0	-104.24	316.20	1.27	-102.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1O	REAL300000377098	0	28	-2.0	-111.18	274.68	1.26	-109.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1O	REAL300000377101	0	28	-2.0	-99.69	275.60	1.23	-98.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)C=C1O	REAL300000377103	0	31	-2.0	-107.19	324.79	3.06	-104.13
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=CS1	REAL300000377104	0	27	-2.0	-112.24	284.61	2.47	-109.77
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377105	0	36	-2.0	-113.06	341.97	4.82	-108.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1O	REAL300000377108	1	29	-2.0	-100.76	296.81	3.64	-97.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C1O	REAL300000377109	0	38	-2.0	-115.24	335.89	3.43	-111.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C=C1O	REAL300000377110	1	36	-2.0	-114.27	339.29	0.94	-113.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1O	REAL300000377111	0	37	-2.0	-118.70	326.40	4.29	-114.41
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377112	0	39	-2.0	-108.36	346.95	2.07	-106.29
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(F)=C1	REAL300000377113	0	38	-2.0	-107.04	356.31	4.73	-102.31
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)S2)C1	REAL300000377118	0	40	-2.0	-109.64	364.53	3.54	-106.10
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000377119	1	44	-2.0	-112.95	384.06	5.42	-107.53
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377121	1	36	-2.0	-119.33	330.12	0.51	-118.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C=C1O	REAL300000377124	1	41	-2.0	-108.71	358.46	4.50	-104.21
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=C2)=N1	REAL300000377125	1	41	-2.0	-111.66	367.67	2.96	-108.70
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)N(C)N=C1	REAL300000377126	0	35	-2.0	-109.05	323.43	2.14	-106.91
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C	REAL300000377127	1	40	-2.0	-111.90	358.91	2.16	-109.74
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377128	0	34	-2.0	-97.17	329.94	4.92	-92.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C=C1O	REAL300000377131	0	36	-2.0	-115.94	340.68	4.87	-111.07
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)N1C	REAL300000377132	0	32	-2.0	-107.70	294.34	2.09	-105.61
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1F	REAL300000377133	0	35	-2.0	-109.59	339.00	3.81	-105.78
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377134	1	42	-2.0	-112.01	364.23	4.73	-107.28
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C=C1O	REAL300000377137	0	42	-2.0	-105.69	375.18	5.41	-100.28
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000377138	0	34	-2.0	-113.23	322.00	5.20	-108.03
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CN1CC1CC1	REAL300000377139	0	42	-2.0	-118.40	368.31	4.88	-113.52
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)O1	REAL300000377140	0	35	-2.0	-103.45	331.64	2.45	-101.00
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C2C1	REAL300000377141	1	40	-2.0	-115.46	359.19	3.64	-111.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1O	REAL300000377142	0	32	-2.0	-105.76	313.95	2.59	-103.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C)=C1[N+](=O)[O-]	REAL300000377144	1	37	-2.0	-105.07	337.83	5.41	-99.66
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1O	REAL300000377145	0	38	-2.0	-131.19	346.20	5.76	-125.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1O	REAL300000377145	1	37	-3.0	-185.00	343.70	5.76	-179.24
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377146	0	32	-2.0	-95.96	315.81	1.70	-94.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1O	REAL300000377147	0	28	-2.0	-104.18	291.58	1.68	-102.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=C1O	REAL300000377148	1	39	-2.0	-120.18	340.30	6.47	-113.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(F)=C1F	REAL300000377150	0	32	-2.0	-111.08	306.33	3.85	-107.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C=C1O	REAL300000377151	0	28	-2.0	-104.19	296.17	1.75	-102.44
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)OC=C1	REAL300000377152	0	32	-2.0	-115.67	306.33	2.53	-113.14
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=N1	REAL300000377154	0	31	-2.0	-122.12	302.56	1.97	-120.15
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C)=N1	REAL300000377155	0	41	-2.0	-107.23	362.11	3.84	-103.39
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C(OC)C=C1F	REAL300000377156	0	39	-2.0	-107.78	361.67	3.55	-104.23
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377158	0	30	-3.0	-171.85	299.65	1.69	-170.16
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377159	0	33	-2.0	-109.15	306.93	3.22	-105.93
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000377161	1	41	-2.0	-106.16	352.42	5.33	-100.83
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377162	1	30	-2.0	-100.90	301.44	3.53	-97.37
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1C(F)(F)F	REAL300000377164	0	32	-2.0	-104.07	307.32	1.71	-102.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1O	REAL300000377165	0	31	-2.0	-120.35	297.37	2.27	-118.08
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1O	REAL300000377165	1	31	-2.0	-107.73	297.47	2.13	-105.60
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1O	REAL300000377166	0	33	-2.0	-115.97	307.94	3.05	-112.92
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377167	0	39	-2.0	-105.50	335.18	3.19	-102.31
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C(C)(C)C)=N1	REAL300000377168	0	41	-2.0	-106.93	342.62	3.69	-103.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1O	REAL300000377170	0	39	-2.0	-106.51	341.62	3.43	-103.08
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377171	0	32	-2.0	-100.20	308.52	1.98	-98.22
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(Br)=N1	REAL300000377172	0	29	-2.0	-107.33	299.45	1.28	-106.05
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1O	REAL300000377176	0	30	-2.0	-100.50	279.44	1.72	-98.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1O	REAL300000377176	1	30	-2.0	-108.17	290.39	0.83	-107.34
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000377177	1	39	-2.0	-108.91	351.40	5.85	-103.06
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377178	0	32	-2.0	-121.84	305.21	0.74	-121.10
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377179	0	35	-2.0	-107.60	317.05	2.23	-105.37
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000377180	1	34	-2.0	-109.15	321.52	3.64	-105.51
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000377181	0	29	-2.0	-102.07	279.41	0.43	-101.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C#N)=C1	REAL300000377182	0	33	-2.0	-115.50	313.70	4.03	-111.47
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377183	0	33	-2.0	-116.26	305.78	4.30	-111.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=C1O	REAL300000377184	1	32	-2.0	-103.17	310.88	3.97	-99.20
CN(C)S(=O)(=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1)C1=CC=CC=C1	REAL300000377185	1	41	-2.0	-130.73	368.23	2.43	-128.30
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000377188	1	36	-2.0	-113.03	337.94	5.03	-108.00
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377190	0	29	-2.0	-99.08	293.45	-1.13	-100.21
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377191	0	43	-2.0	-128.82	371.63	2.57	-126.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1O	REAL300000377193	0	25	-2.0	-101.92	260.94	0.77	-101.15
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377196	0	35	-3.0	-165.98	330.87	3.44	-162.54
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377196	1	36	-2.0	-102.30	317.90	3.22	-99.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C(C(N)=O)O1	REAL300000377197	0	33	-2.0	-108.19	313.74	-1.31	-109.50
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377198	1	38	-2.0	-109.70	325.92	5.59	-104.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1O	REAL300000377199	0	29	-2.0	-104.01	294.43	2.99	-101.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C(Cl)O1	REAL300000377201	0	28	-3.0	-160.86	302.81	2.62	-158.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1O	REAL300000377202	1	34	-2.0	-117.61	310.44	3.59	-114.02
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377203	0	36	-2.0	-109.53	334.62	3.32	-106.21
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1F	REAL300000377204	0	30	-2.0	-111.34	300.03	3.49	-107.85
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377205	0	32	-2.0	-99.63	328.77	2.35	-97.28
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C21	REAL300000377206	1	43	-2.0	-107.77	369.76	3.15	-104.62
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C21	REAL300000377207	1	43	-2.0	-130.80	375.02	5.01	-125.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1O	REAL300000377208	0	36	-2.0	-106.62	324.10	2.75	-103.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1O	REAL300000377209	0	36	-2.0	-103.63	319.42	3.07	-100.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1O	REAL300000377210	0	39	-2.0	-103.90	343.56	3.67	-100.23
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377211	0	42	-2.0	-120.11	378.99	4.45	-115.66
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1O	REAL300000377212	0	30	-2.0	-99.74	305.82	2.71	-97.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1O	REAL300000377212	1	29	-3.0	-182.70	313.14	2.70	-180.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)C=C1O	REAL300000377213	0	34	-2.0	-113.24	325.88	2.10	-111.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C=C1O	REAL300000377213	1	33	-3.0	-193.27	322.66	3.03	-190.24
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=NN2C1	REAL300000377214	0	40	-2.0	-114.26	349.25	1.09	-113.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C=C1O	REAL300000377215	0	35	-2.0	-107.81	341.05	3.99	-103.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C1O	REAL300000377216	1	35	-2.0	-107.04	324.94	0.30	-106.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C1O	REAL300000377217	0	26	-2.0	-106.48	274.86	1.80	-104.68
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000377218	1	33	-2.0	-99.12	320.07	2.62	-96.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1O	REAL300000377219	0	36	-2.0	-108.30	317.12	3.14	-105.16
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1F	REAL300000377220	0	33	-2.0	-106.78	315.40	2.51	-104.27
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377222	0	39	-2.0	-114.45	348.65	4.47	-109.98
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377223	0	32	-2.0	-105.51	297.25	3.78	-101.73
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=C2O1	REAL300000377224	0	37	-2.0	-119.76	331.38	3.66	-116.10
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000377225	0	37	-2.0	-105.79	342.87	2.75	-103.04
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C2)CC1	REAL300000377226	1	37	-2.0	-111.36	342.44	5.28	-106.08
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377227	0	33	-2.0	-111.57	310.62	3.73	-107.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C=C1O	REAL300000377228	0	35	-2.0	-114.91	327.88	3.69	-111.22
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C21	REAL300000377229	1	43	-2.0	-128.91	373.76	4.70	-124.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1O	REAL300000377230	0	26	-2.0	-107.00	279.62	2.51	-104.49
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377231	0	29	-2.0	-98.60	297.52	1.13	-97.47
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C1O	REAL300000377232	0	31	-2.0	-99.78	308.36	2.27	-97.51
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377233	0	34	-2.0	-122.68	314.89	2.68	-120.00
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377234	0	31	-2.0	-96.94	288.13	0.41	-96.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1O	REAL300000377236	1	30	-2.0	-98.75	289.08	1.86	-96.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1O	REAL300000377237	0	32	-2.0	-110.66	313.05	4.51	-106.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C1O	REAL300000377238	0	32	-2.0	-122.67	319.11	2.78	-119.89
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377239	0	36	-2.0	-102.23	325.13	2.85	-99.38
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C)=C1F	REAL300000377240	1	38	-2.0	-106.31	329.95	5.42	-100.89
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1OC	REAL300000377241	0	37	-2.0	-113.92	329.93	3.00	-110.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C=C1O	REAL300000377242	1	38	-2.0	-115.19	342.53	0.29	-114.90
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CC=C1Br	REAL300000377243	1	30	-2.0	-100.38	314.74	3.97	-96.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1O	REAL300000377244	0	32	-2.0	-110.96	303.97	3.36	-107.60
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1OC	REAL300000377245	0	37	-2.0	-116.73	333.63	3.40	-113.33
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C2CCCC2)=N1	REAL300000377246	0	42	-2.0	-110.80	362.98	3.98	-106.82
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C2=CC=CC=C2S1	REAL300000377247	0	33	-2.0	-113.27	325.05	5.01	-108.26
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C2CC2)=N1	REAL300000377248	0	36	-2.0	-109.93	329.50	3.00	-106.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1O	REAL300000377250	0	32	-2.0	-116.27	303.64	2.29	-113.98
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=CC=C21	REAL300000377251	0	34	-2.0	-125.80	318.75	1.48	-124.32
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=C21	REAL300000377252	0	36	-2.0	-110.46	315.14	4.98	-105.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CN=C1N	REAL300000377253	1	33	-2.0	-108.63	302.21	0.78	-107.85
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377254	0	29	-2.0	-106.56	291.49	-1.04	-107.60
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1O	REAL300000377257	1	32	-2.0	-107.43	307.92	3.45	-103.98
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C2CCC2)=N1	REAL300000377258	0	39	-2.0	-110.04	345.75	3.48	-106.56
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377259	1	47	-2.0	-113.84	388.44	7.00	-106.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1O	REAL300000377260	0	26	-2.0	-106.37	280.04	2.61	-103.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1O	REAL300000377261	0	39	-2.0	-107.25	348.17	3.72	-103.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1O	REAL300000377262	0	33	-2.0	-112.57	310.94	4.27	-108.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C=C1O	REAL300000377263	0	40	-2.0	-115.32	372.72	5.89	-109.43
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000377264	1	42	-2.0	-118.13	363.99	1.48	-116.65
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C2=NC=CC=C2C=C1	REAL300000377265	0	38	-2.0	-133.87	339.64	4.28	-129.59
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377266	1	38	-2.0	-110.77	338.59	5.28	-105.49
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377267	0	35	-2.0	-101.95	330.44	1.42	-100.53
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377268	0	30	-2.0	-111.87	298.71	3.44	-108.43
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377269	0	36	-2.0	-106.28	319.89	2.60	-103.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C=C1O	REAL300000377270	0	33	-2.0	-96.31	330.64	4.41	-91.90
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377273	0	38	-2.0	-101.59	321.19	2.98	-98.61
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000377274	0	38	-2.0	-107.39	338.69	2.79	-104.60
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1O	REAL300000377275	0	36	-2.0	-107.26	322.75	2.17	-105.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=CN=C1C(F)(F)F	REAL300000377276	0	34	-2.0	-99.52	325.12	2.90	-96.62
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000377277	0	40	-2.0	-106.33	348.47	3.89	-102.44
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C=C1O	REAL300000377278	0	31	-2.0	-93.86	313.22	3.82	-90.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C=C1O	REAL300000377279	1	32	-2.0	-100.13	319.34	4.14	-95.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1O	REAL300000377280	1	32	-2.0	-108.92	302.19	3.89	-105.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C1O	REAL300000377281	0	29	-2.0	-107.91	295.73	3.45	-104.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C1O	REAL300000377282	0	29	-2.0	-101.35	305.94	3.18	-98.17
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377283	0	32	-2.0	-101.97	296.38	1.30	-100.67
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C=C1O	REAL300000377285	1	32	-2.0	-99.26	326.11	4.49	-94.77
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1C	REAL300000377286	1	35	-2.0	-110.93	306.28	4.41	-106.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1O	REAL300000377287	0	32	-2.0	-109.90	296.12	4.23	-105.67
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377288	1	40	-2.0	-119.04	358.78	5.11	-113.93
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CC=C21	REAL300000377290	1	39	-2.0	-112.78	354.43	4.76	-108.02
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377292	0	34	-2.0	-107.26	332.97	3.57	-103.69
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000377293	1	38	-2.0	-109.76	352.62	4.73	-105.03
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1Cl	REAL300000377294	0	30	-2.0	-108.85	306.82	3.92	-104.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)C=C1O	REAL300000377295	0	38	-2.0	-116.05	348.32	3.04	-113.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1O	REAL300000377296	0	29	-2.0	-109.33	294.23	3.32	-106.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1O	REAL300000377297	1	36	-2.0	-110.69	323.43	5.18	-105.51
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=CS1	REAL300000377298	0	30	-2.0	-112.92	296.44	1.53	-111.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C=C1O	REAL300000377299	0	32	-2.0	-107.62	306.47	4.53	-103.09
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377300	0	35	-2.0	-104.33	340.38	3.43	-100.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1O	REAL300000377301	0	36	-2.0	-111.92	328.92	5.24	-106.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1O	REAL300000377302	0	39	-2.0	-103.92	338.95	3.69	-100.23
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377303	0	38	-2.0	-104.63	335.34	2.91	-101.72
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000377304	1	38	-2.0	-115.27	345.44	0.59	-114.68
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377306	0	32	-2.0	-114.82	328.14	-0.43	-115.25
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C2=N1	REAL300000377307	0	34	-2.0	-118.36	317.80	1.44	-116.92
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)O1	REAL300000377308	0	32	-2.0	-108.11	300.28	2.68	-105.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1O	REAL300000377309	0	29	-2.0	-101.39	298.06	2.30	-99.09
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377310	0	33	-2.0	-105.78	315.15	2.98	-102.80
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C2CCOCC2)=N1	REAL300000377311	0	43	-2.0	-109.06	372.53	2.22	-106.84
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377312	1	35	-2.0	-109.02	327.41	4.60	-104.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1O	REAL300000377313	1	33	-2.0	-108.67	313.45	2.65	-106.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000377315	0	30	-2.0	-105.87	297.98	1.52	-104.35
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C2=NC=CC=C12	REAL300000377316	0	40	-2.0	-126.24	345.64	5.42	-120.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1O	REAL300000377318	0	32	-2.0	-104.50	306.87	1.77	-102.73
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377319	1	39	-2.0	-111.74	351.12	3.76	-107.98
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1Cl	REAL300000377320	0	32	-2.0	-104.36	325.87	2.54	-101.82
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377321	0	39	-2.0	-104.22	353.87	4.27	-99.95
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1O	REAL300000377322	0	42	-2.0	-106.33	360.59	4.01	-102.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1O	REAL300000377324	1	32	-2.0	-112.19	294.74	4.04	-108.15
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377325	1	41	-2.0	-114.52	360.87	5.68	-108.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1O	REAL300000377326	0	32	-2.0	-111.26	299.70	3.48	-107.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1O	REAL300000377327	1	31	-2.0	-110.35	305.14	2.47	-107.88
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=N1	REAL300000377328	0	31	-2.0	-106.67	295.06	-0.08	-106.75
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1Cl	REAL300000377329	0	32	-2.0	-104.56	315.89	2.01	-102.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C=C1O	REAL300000377331	0	31	-2.0	-102.91	314.41	2.27	-100.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C=C1O	REAL300000377332	0	34	-2.0	-120.68	330.66	4.26	-116.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1O	REAL300000377333	0	26	-2.0	-102.42	273.95	1.69	-100.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C=C1O	REAL300000377334	1	34	-2.0	-117.70	327.40	4.05	-113.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C2=CC=CC=C12	REAL300000377335	1	38	-2.0	-118.26	332.97	5.92	-112.34
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CC=C21	REAL300000377337	1	43	-2.0	-106.08	378.79	4.59	-101.49
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C1O	REAL300000377338	0	29	-2.0	-103.88	301.72	3.68	-100.20
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)O1	REAL300000377339	0	35	-2.0	-118.13	337.82	-0.64	-118.77
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C2=CC=CC=C2)=N1	REAL300000377340	0	39	-2.0	-112.31	351.59	4.50	-107.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1O	REAL300000377344	0	33	-2.0	-108.92	318.02	4.39	-104.53
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1[N+](=O)[O-]	REAL300000377345	0	32	-2.0	-100.42	319.65	3.88	-96.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C=C1O	REAL300000377347	0	25	-2.0	-98.88	278.13	1.50	-97.38
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000377348	1	39	-2.0	-109.14	360.88	4.97	-104.17
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=NN1	REAL300000377349	0	35	-2.0	-106.79	334.56	0.87	-105.92
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1OC	REAL300000377350	0	34	-2.0	-109.82	328.09	1.75	-108.07
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=C1O	REAL300000377351	0	30	-2.0	-94.87	313.46	2.08	-92.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=C1O	REAL300000377351	1	29	-3.0	-160.32	310.78	2.11	-158.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1O	REAL300000377352	0	28	-2.0	-95.46	291.83	1.71	-93.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C=C1O	REAL300000377353	0	33	-2.0	-108.64	322.52	4.07	-104.57
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C=C1O	REAL300000377354	1	33	-2.0	-107.89	319.69	2.72	-105.17
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377355	0	35	-2.0	-106.68	318.60	3.01	-103.67
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)=CC=C21	REAL300000377356	1	36	-2.0	-115.49	327.90	4.84	-110.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C=C1O	REAL300000377357	0	32	-2.0	-111.15	304.89	4.47	-106.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C=C1O	REAL300000377358	1	38	-2.0	-105.20	353.08	3.56	-101.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=C1O	REAL300000377359	0	26	-2.0	-98.38	299.28	3.17	-95.21
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1Cl	REAL300000377360	0	29	-2.0	-104.30	294.05	1.14	-103.16
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377361	0	42	-2.0	-109.67	367.98	5.49	-104.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C=C1O	REAL300000377362	1	34	-2.0	-106.92	326.88	3.75	-103.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C=C1O	REAL300000377363	1	40	-2.0	-111.46	362.89	5.91	-105.55
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377364	0	35	-2.0	-121.33	312.05	4.91	-116.42
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)OC=C1	REAL300000377365	0	27	-2.0	-109.50	276.04	1.55	-107.95
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C=C1O	REAL300000377366	1	34	-2.0	-106.40	329.06	1.65	-104.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C=C1O	REAL300000377367	0	30	-2.0	-109.98	315.70	1.86	-108.12
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000377368	0	38	-2.0	-112.63	357.40	2.05	-110.58
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)S1	REAL300000377368	1	37	-3.0	-169.57	354.10	0.92	-168.65
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377369	0	31	-2.0	-100.77	301.94	2.46	-98.31
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377370	1	40	-2.0	-112.30	357.53	4.68	-107.62
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C2CC2)=N1	REAL300000377371	0	39	-2.0	-109.98	351.05	3.88	-106.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C2=NSN=C2C=C1	REAL300000377372	0	33	-2.0	-116.94	312.22	2.44	-114.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C=C1O	REAL300000377373	1	35	-2.0	-107.22	336.83	5.86	-101.36
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C(Cl)S1	REAL300000377376	0	32	-2.0	-113.11	330.52	4.01	-109.10
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377377	0	42	-2.0	-106.13	362.17	4.21	-101.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1O	REAL300000377378	0	26	-2.0	-105.55	272.99	1.58	-103.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1O	REAL300000377379	0	26	-2.0	-102.95	283.01	2.58	-100.37
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377380	0	43	-2.0	-117.25	379.03	3.37	-113.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C=C1O	REAL300000377381	0	35	-2.0	-112.87	333.06	5.91	-106.96
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377382	0	37	-2.0	-103.51	326.51	0.82	-102.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1O	REAL300000377383	1	36	-2.0	-113.50	317.75	5.24	-108.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C)=N1	REAL300000377387	1	35	-2.0	-102.92	317.05	0.52	-102.40
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377388	0	35	-2.0	-112.94	321.61	0.89	-112.05
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377390	0	32	-2.0	-107.13	316.91	0.75	-106.38
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C	REAL300000377391	0	35	-2.0	-103.70	321.51	0.49	-103.21
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=N1	REAL300000377392	0	38	-2.0	-107.01	341.62	3.17	-103.84
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377393	0	38	-2.0	-107.65	337.80	2.81	-104.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C1O	REAL300000377394	0	28	-2.0	-105.78	301.53	1.06	-104.72
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=CO1	REAL300000377395	0	27	-2.0	-108.88	277.16	1.48	-107.40
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)SC=C1	REAL300000377396	0	27	-2.0	-111.77	286.25	2.43	-109.34
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377398	0	35	-2.0	-102.62	315.92	2.35	-100.27
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C	REAL300000377399	0	37	-2.0	-101.49	340.97	2.45	-99.04
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1O	REAL300000377400	0	39	-2.0	-101.21	351.29	5.51	-95.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1O	REAL300000377400	1	38	-3.0	-168.56	348.79	5.52	-163.04
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377401	0	32	-2.0	-115.07	316.05	4.88	-110.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1O	REAL300000377402	0	36	-2.0	-102.64	326.41	3.21	-99.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1O	REAL300000377403	0	36	-2.0	-111.25	330.44	4.08	-107.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=NN1C(C)C	REAL300000377405	0	38	-2.0	-108.18	337.28	2.88	-105.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=C1O	REAL300000377406	1	36	-2.0	-115.89	334.05	5.28	-110.61
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1O	REAL300000377407	0	31	-2.0	-103.85	301.57	2.11	-101.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)C=C1O	REAL300000377408	0	29	-2.0	-106.78	313.61	-0.80	-107.58
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C=C1O	REAL300000377411	1	36	-2.0	-110.30	335.70	5.31	-104.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C=C1O	REAL300000377412	0	33	-2.0	-110.82	324.65	3.55	-107.27
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1O	REAL300000377413	0	39	-2.0	-107.47	350.60	5.51	-101.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1O	REAL300000377413	1	38	-3.0	-174.30	348.10	5.52	-168.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1O	REAL300000377414	1	30	-2.0	-109.72	285.21	0.22	-109.50
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377415	1	38	-2.0	-113.86	339.01	4.77	-109.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C1O	REAL300000377416	0	32	-2.0	-118.03	313.87	4.07	-113.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1O	REAL300000377417	0	25	-2.0	-100.26	259.85	0.68	-99.58
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1O	REAL300000377418	0	33	-2.0	-118.39	322.09	2.34	-116.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=C1O	REAL300000377419	1	36	-2.0	-115.69	330.02	5.37	-110.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(Cl)=C1Cl	REAL300000377420	0	32	-2.0	-108.32	321.24	4.68	-103.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C=C1O	REAL300000377421	0	33	-2.0	-104.17	325.68	2.93	-101.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C=C1O	REAL300000377422	0	36	-2.0	-108.40	342.14	4.14	-104.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C(C(F)F)=C1	REAL300000377423	1	36	-2.0	-115.49	324.66	3.67	-111.82
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C1C(=O)OC	REAL300000377424	1	42	-2.0	-107.88	378.14	4.69	-103.19
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(O)=C3)C=C2C1	REAL300000377425	1	42	-2.0	-112.82	373.57	5.60	-107.22
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377426	0	34	-2.0	-116.84	314.99	2.66	-114.18
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377427	0	35	-2.0	-106.01	339.29	1.24	-104.77
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(O)=C1	REAL300000377428	0	35	-2.0	-126.07	323.54	4.62	-121.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C2=NC=CC=C12	REAL300000377429	0	37	-2.0	-125.63	331.93	4.24	-121.39
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C(C(=O)[O-])O1	REAL300000377430	0	34	-3.0	-167.22	324.80	3.64	-163.58
CCC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(O)=C2)C=C(C(=O)[O-])O1	REAL300000377430	1	35	-2.0	-113.11	327.48	3.05	-110.06
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377431	0	42	-2.0	-118.79	363.65	5.07	-113.72
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)C=C(Cl)S1	REAL300000377432	0	29	-2.0	-102.79	299.48	3.46	-99.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1O	REAL300000377433	0	25	-2.0	-104.25	260.78	0.19	-104.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1O	REAL300000377434	0	36	-2.0	-109.14	319.92	2.39	-106.75
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000377435	0	32	-2.0	-113.65	301.12	3.80	-109.85
CC1=NOC(C)=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000377468	0	36	-2.0	-105.35	335.51	5.59	-99.76
CC1=NOC(C)=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000377499	0	34	-2.0	-102.57	307.35	3.90	-98.67
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=C(F)C=C2O1	REAL300000377564	0	39	-2.0	-107.26	349.44	6.92	-100.34
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=C(F)C=C2O1	REAL300000377583	0	37	-2.0	-104.66	328.13	5.04	-99.62
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377612	0	41	-2.0	-134.54	365.02	5.77	-128.77
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377613	0	38	-2.0	-133.48	349.58	5.00	-128.48
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000377614	0	37	-2.0	-128.24	330.72	4.19	-124.05
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000377616	0	32	-2.0	-138.63	303.30	4.62	-134.01
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000377617	0	34	-3.0	-182.96	328.27	4.05	-178.91
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000377617	1	35	-2.0	-113.39	328.28	4.02	-109.37
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000377618	0	31	-2.0	-118.31	306.67	2.97	-115.34
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000377619	0	33	-2.0	-125.87	315.65	4.73	-121.14
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000377620	0	33	-2.0	-121.17	315.62	4.74	-116.43
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000377621	0	32	-2.0	-125.66	317.03	4.93	-120.73
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000377622	0	33	-2.0	-137.14	312.91	4.62	-132.52
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1Br	REAL300000377623	0	32	-2.0	-129.86	311.29	5.05	-124.81
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(NC(C)=O)=C1	REAL300000377624	0	43	-2.0	-143.98	378.89	2.67	-141.31
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300000377625	0	36	-2.0	-121.31	340.80	4.13	-117.18
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000377626	0	34	-3.0	-195.35	327.80	4.94	-190.41
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000377626	1	35	-2.0	-138.91	327.78	4.90	-134.01
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300000377627	0	47	-2.0	-133.06	371.49	7.53	-125.53
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300000377628	0	36	-2.0	-122.93	344.10	6.43	-116.50
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000377629	0	41	-2.0	-127.99	357.63	4.29	-123.70
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300000377630	0	37	-2.0	-127.18	339.00	5.53	-121.65
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)NN=C1C	REAL300000377631	0	35	-2.0	-122.67	311.05	2.17	-120.50
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)S1	REAL300000377632	0	29	-2.0	-121.66	308.41	4.08	-117.58
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300000377633	0	50	-2.0	-129.60	401.14	8.34	-121.26
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300000377634	0	48	-2.0	-129.45	396.67	8.15	-121.30
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000377635	0	35	-2.0	-120.86	333.53	5.34	-115.52
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000377636	0	42	-2.0	-132.73	357.52	6.83	-125.90
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000377637	0	34	-3.0	-182.92	323.25	4.92	-178.00
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000377637	1	35	-2.0	-109.50	323.21	4.87	-104.63
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377638	0	40	-2.0	-139.97	352.54	3.43	-136.54
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300000377639	0	40	-2.0	-127.85	353.53	3.54	-124.31
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000377640	0	39	-2.0	-132.75	340.32	6.25	-126.50
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)ON=C1C	REAL300000377641	0	34	-2.0	-117.15	309.72	3.27	-113.88
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000377642	0	32	-2.0	-119.64	326.72	5.32	-114.32
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000377643	0	34	-3.0	-199.85	323.26	4.91	-194.94
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000377643	1	35	-2.0	-103.21	323.29	4.87	-98.34
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000377644	0	32	-2.0	-118.27	307.51	4.46	-113.81
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000377645	0	32	-2.0	-125.70	324.65	5.43	-120.27
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000377646	0	35	-2.0	-125.51	333.88	5.36	-120.15
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1	REAL300000377647	0	35	-2.0	-131.68	316.22	5.01	-126.67
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000377649	0	35	-2.0	-132.66	320.67	5.72	-126.94
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000377650	0	32	-2.0	-126.26	311.53	4.87	-121.39
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300000377651	0	37	-2.0	-128.01	335.28	4.74	-123.27
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C	REAL300000377652	0	38	-2.0	-131.89	331.70	5.78	-126.11
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C)=C1	REAL300000377653	0	38	-2.0	-132.57	333.22	5.54	-127.03
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000377654	0	32	-2.0	-118.62	317.40	4.91	-113.71
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300000377655	0	37	-2.0	-141.03	336.06	4.75	-136.28
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C	REAL300000377656	0	38	-2.0	-131.01	331.70	5.79	-125.22
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000377657	0	38	-2.0	-143.97	340.04	5.73	-138.24
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377658	0	41	-2.0	-123.46	371.44	5.94	-117.52
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000377659	0	32	-2.0	-126.78	323.12	5.37	-121.41
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300000377660	0	38	-2.0	-125.91	350.32	5.08	-120.83
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300000377661	0	44	-2.0	-130.08	371.01	6.66	-123.42
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300000377662	0	41	-2.0	-130.05	355.03	6.27	-123.78
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377663	0	44	-2.0	-129.87	373.48	6.93	-122.94
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000377664	0	38	-3.0	-208.34	351.40	4.70	-203.64
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000377665	0	38	-3.0	-182.91	354.73	6.20	-176.71
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000377665	1	39	-2.0	-106.24	354.67	6.16	-100.08
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300000377666	0	32	-2.0	-130.09	318.40	5.66	-124.43
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000377667	0	29	-2.0	-121.46	303.78	3.97	-117.49
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377668	0	41	-2.0	-130.08	359.20	6.56	-123.52
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC	REAL300000377669	0	36	-2.0	-138.32	323.06	4.13	-134.19
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000377670	0	37	-3.0	-201.78	339.28	5.43	-196.35
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000377670	1	38	-2.0	-104.35	343.23	5.51	-98.84
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(NC(C)=O)=CC=C1OC	REAL300000377671	0	43	-2.0	-136.84	379.41	3.02	-133.82
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000377672	0	32	-2.0	-121.85	312.86	4.54	-117.31
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000377673	0	32	-2.0	-120.13	328.27	5.37	-114.76
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000377674	0	32	-2.0	-130.89	307.93	4.90	-125.99
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1	REAL300000377675	0	32	-2.0	-126.16	316.09	4.97	-121.19
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000377676	0	34	-2.0	-126.13	323.02	5.02	-121.11
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300000377677	0	37	-2.0	-127.15	338.51	5.79	-121.36
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300000377678	0	34	-2.0	-119.01	335.48	5.39	-113.62
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000377679	0	29	-2.0	-128.25	286.73	3.34	-124.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377680	0	36	-2.0	-127.80	324.30	3.64	-124.16
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000377681	0	34	-2.0	-141.95	313.32	5.72	-136.23
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000377682	0	34	-3.0	-196.51	336.33	5.49	-191.02
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000377683	0	34	-3.0	-194.69	335.78	5.30	-189.39
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000377683	1	35	-2.0	-135.72	335.76	5.26	-130.46
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1	REAL300000377684	0	35	-2.0	-130.81	316.20	5.01	-125.80
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377685	0	39	-2.0	-127.47	346.16	4.56	-122.91
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000377686	0	32	-2.0	-124.64	306.70	4.48	-120.16
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000377687	0	32	-2.0	-126.43	301.20	4.42	-122.01
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000377688	0	32	-2.0	-119.27	307.62	4.47	-114.80
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300000377689	0	44	-2.0	-130.82	358.31	7.04	-123.78
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000377690	0	38	-2.0	-130.02	339.28	3.50	-126.52
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300000377691	0	41	-2.0	-130.76	346.64	6.70	-124.06
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300000377692	0	47	-2.0	-133.69	386.50	7.44	-126.25
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000377693	0	32	-2.0	-122.80	311.54	4.86	-117.94
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1	REAL300000377694	0	32	-2.0	-122.80	316.11	4.96	-117.84
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000377695	0	34	-2.0	-116.05	323.03	5.01	-111.04
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000377696	0	32	-2.0	-130.81	294.79	4.35	-126.46
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300000377697	0	39	-2.0	-136.11	350.88	3.23	-132.88
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)S1	REAL300000377698	0	32	-2.0	-129.15	308.62	4.15	-125.00
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000377699	0	40	-3.0	-204.54	356.37	6.23	-198.31
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000377699	1	41	-2.0	-144.99	354.20	5.83	-139.16
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300000377700	0	36	-2.0	-129.99	339.79	4.66	-125.33
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300000377701	0	34	-2.0	-130.49	332.60	6.27	-124.22
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000377702	0	34	-3.0	-198.75	328.74	4.97	-193.78
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300000377703	0	29	-2.0	-120.35	317.64	4.50	-115.85
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300000377704	0	47	-2.0	-130.01	398.27	7.85	-122.16
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300000377705	0	37	-2.0	-123.34	333.04	5.61	-117.73
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000377706	0	32	-2.0	-129.32	306.71	4.48	-124.84
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000377707	0	40	-3.0	-183.32	366.84	6.49	-176.83
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000377707	1	41	-2.0	-107.37	366.82	6.46	-100.91
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377708	0	42	-2.0	-135.93	371.47	4.04	-131.89
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000377709	0	36	-2.0	-124.04	330.55	1.17	-122.87
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(SC)C=C1	REAL300000377710	0	36	-2.0	-127.65	335.01	5.36	-122.29
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000377711	0	37	-2.0	-125.71	336.82	2.79	-122.92
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000377712	0	40	-2.0	-127.12	354.62	3.52	-123.60
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1OCC	REAL300000377713	0	46	-2.0	-128.19	397.24	5.38	-122.81
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300000377714	0	37	-2.0	-125.77	343.06	4.53	-121.24
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000377715	0	31	-3.0	-191.61	316.44	3.92	-187.69
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000377716	0	35	-2.0	-123.32	326.55	1.85	-121.47
COC(=O)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000377717	0	34	-2.0	-122.10	313.48	2.92	-119.18
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000377718	0	37	-3.0	-202.43	338.70	5.69	-196.74
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000377718	1	38	-2.0	-137.92	339.69	5.74	-132.18
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300000377719	0	38	-2.0	-126.69	331.50	3.38	-123.31
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300000377720	0	40	-2.0	-126.86	356.23	6.35	-120.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377721	0	38	-2.0	-123.95	349.58	5.01	-118.94
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377722	0	39	-2.0	-128.37	351.25	2.63	-125.74
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300000377723	0	37	-2.0	-128.79	349.00	-0.70	-129.49
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300000377724	0	43	-2.0	-136.90	372.61	5.46	-131.44
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000377725	0	41	-2.0	-138.87	366.96	6.01	-132.86
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000377726	0	36	-2.0	-128.24	329.32	1.13	-127.11
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CCN2C(C)=O	REAL300000377727	0	43	-2.0	-138.48	375.38	5.46	-133.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377728	0	38	-2.0	-130.34	337.70	5.78	-124.56
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000377729	0	38	-2.0	-133.60	340.74	6.62	-126.98
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=CS1	REAL300000377730	0	35	-2.0	-139.95	334.38	4.66	-135.29
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377731	0	42	-2.0	-128.95	371.38	4.85	-124.10
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000377732	1	42	-2.0	-126.15	353.89	5.25	-120.90
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000377733	0	38	-3.0	-181.56	354.35	5.18	-176.38
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000377733	1	39	-2.0	-107.15	354.34	5.15	-102.00
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1C	REAL300000377734	0	46	-2.0	-130.35	399.85	4.57	-125.78
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300000377735	0	43	-2.0	-131.76	379.02	8.46	-123.30
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300000377736	0	44	-2.0	-130.59	375.97	7.02	-123.57
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000377737	0	32	-2.0	-121.86	301.22	4.41	-117.45
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000377738	0	32	-2.0	-134.86	300.29	4.40	-130.46
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)C2	REAL300000377739	0	37	-2.0	-125.08	349.93	3.36	-121.72
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000377740	0	37	-2.0	-124.97	337.18	4.85	-120.12
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000377741	0	38	-2.0	-146.23	348.94	2.84	-143.39
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300000377742	0	40	-2.0	-147.82	356.14	5.62	-142.20
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377743	0	42	-2.0	-126.88	367.66	5.36	-121.52
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1Cl	REAL300000377744	0	35	-2.0	-130.59	329.34	5.57	-125.02
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300000377745	0	36	-2.0	-132.30	339.56	4.61	-127.69
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300000377746	0	38	-2.0	-125.31	345.53	1.57	-123.74
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300000377747	0	37	-2.0	-133.43	349.05	-0.71	-134.14
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300000377748	0	40	-2.0	-126.05	357.63	4.77	-121.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C([N+](=O)[O-])=C1	REAL300000377749	0	38	-2.0	-135.87	345.34	5.06	-130.81
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300000377750	0	38	-2.0	-123.80	351.35	1.34	-122.46
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300000377751	0	39	-2.0	-122.23	360.43	3.61	-118.62
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000377752	0	37	-2.0	-121.69	342.48	5.85	-115.84
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300000377753	0	38	-2.0	-124.85	348.91	4.31	-120.54
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300000377754	0	36	-2.0	-123.61	340.79	4.14	-119.47
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300000377755	0	38	-2.0	-133.20	355.51	1.86	-131.34
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C	REAL300000377756	0	35	-2.0	-122.03	316.69	5.19	-116.84
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300000377757	0	42	-2.0	-132.92	364.66	8.21	-124.71
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000377758	0	32	-2.0	-121.41	314.33	4.97	-116.44
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300000377759	0	44	-2.0	-135.71	380.73	3.68	-132.03
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C=C1F	REAL300000377760	0	39	-2.0	-139.63	356.64	3.30	-136.33
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300000377761	0	38	-2.0	-136.47	355.51	1.86	-134.61
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300000377762	0	41	-2.0	-130.39	369.01	7.05	-123.34
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C=C1F	REAL300000377764	0	40	-2.0	-129.76	359.01	3.61	-126.15
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300000377765	0	43	-2.0	-128.64	368.97	4.31	-124.33
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000377766	0	35	-3.0	-196.62	329.91	4.25	-192.37
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000377767	0	32	-2.0	-135.92	312.27	3.91	-132.01
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000377768	0	37	-2.0	-126.37	336.75	0.50	-125.87
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000377769	0	38	-3.0	-202.32	347.46	3.72	-198.60
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000377769	1	39	-2.0	-139.40	348.45	3.77	-135.63
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377770	0	38	-2.0	-132.57	362.66	5.57	-127.00
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377771	0	43	-2.0	-129.62	379.78	3.84	-125.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1Cl	REAL300000377772	0	36	-2.0	-125.39	340.33	4.20	-121.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300000377773	0	36	-2.0	-125.03	330.53	3.71	-121.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1C	REAL300000377774	0	39	-2.0	-128.91	344.38	4.38	-124.53
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1C	REAL300000377775	0	42	-2.0	-128.67	366.23	5.31	-123.36
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1	REAL300000377776	0	39	-2.0	-123.58	345.41	1.79	-121.79
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(N)=O)=C1	REAL300000377777	0	40	-2.0	-124.66	356.63	1.73	-122.93
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000377778	0	32	-2.0	-124.91	299.34	2.05	-122.86
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300000377779	0	37	-2.0	-116.27	338.51	5.79	-110.48
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC=C1	REAL300000377780	1	38	-2.0	-126.46	339.42	5.90	-120.56
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CN1C	REAL300000377781	0	40	-2.0	-127.01	358.68	1.99	-125.02
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300000377782	0	35	-2.0	-126.94	327.01	5.64	-121.30
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300000377783	0	45	-2.0	-127.00	387.76	6.06	-120.94
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300000377784	0	42	-2.0	-126.03	376.77	6.13	-119.90
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOC1=CC=C(F)C=C1	REAL300000377785	0	39	-2.0	-120.77	354.31	4.77	-116.00
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300000377786	0	43	-2.0	-128.41	370.27	4.48	-123.93
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300000377787	0	42	-2.0	-128.47	368.39	5.22	-123.25
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C3=C2C1=CC=C3	REAL300000377788	0	40	-2.0	-128.39	358.34	4.20	-124.19
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000377789	0	34	-3.0	-186.65	332.37	4.58	-182.07
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000377790	0	33	-2.0	-117.33	331.01	5.15	-112.18
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000377791	0	33	-2.0	-118.05	331.04	5.15	-112.90
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000377792	0	40	-3.0	-204.53	354.72	6.23	-198.30
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000377792	1	41	-2.0	-139.67	355.89	6.27	-133.40
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000377793	0	36	-2.0	-134.24	333.16	4.72	-129.52
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C2=NC=CC=C12	REAL300000377794	0	41	-2.0	-131.95	360.10	4.14	-127.81
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300000377795	0	35	-2.0	-127.03	330.27	5.44	-121.59
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000377796	0	32	-2.0	-130.35	316.46	4.91	-125.44
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300000377797	0	45	-2.0	-128.88	384.15	5.93	-122.95
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300000377798	0	38	-2.0	-122.76	351.27	4.81	-117.95
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300000377799	0	42	-2.0	-136.63	364.16	6.01	-130.62
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300000377800	0	35	-2.0	-126.78	321.53	5.05	-121.73
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300000377801	0	35	-2.0	-123.10	327.01	5.63	-117.47
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000377802	0	35	-2.0	-135.24	321.71	5.08	-130.16
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C	REAL300000377803	0	35	-2.0	-127.26	316.69	5.19	-122.07
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCCl)C=C1	REAL300000377804	0	38	-2.0	-128.81	354.85	6.40	-122.41
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300000377805	0	37	-2.0	-142.33	328.42	6.59	-135.74
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300000377806	0	40	-2.0	-129.80	360.10	3.59	-126.21
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300000377807	0	42	-2.0	-140.48	367.34	4.17	-136.31
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300000377808	0	46	-2.0	-127.06	389.45	6.56	-120.50
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300000377809	0	40	-2.0	-148.26	356.06	5.63	-142.63
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300000377810	0	48	-2.0	-126.55	406.72	6.67	-119.88
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377811	0	42	-2.0	-130.66	380.67	5.26	-125.40
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000377812	0	31	-3.0	-193.67	314.91	3.94	-189.73
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl	REAL300000377813	0	35	-2.0	-131.01	337.16	6.24	-124.77
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300000377814	0	41	-2.0	-137.24	370.99	2.64	-134.60
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300000377815	0	34	-2.0	-115.42	336.15	5.57	-109.85
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000377816	0	38	-3.0	-205.80	350.55	4.97	-200.83
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000377816	1	39	-2.0	-107.81	350.49	4.93	-102.88
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300000377817	0	40	-2.0	-130.74	344.89	5.72	-125.02
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300000377818	0	29	-2.0	-128.61	307.11	3.90	-124.71
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1O	REAL300000377819	0	39	-2.0	-125.11	358.41	3.04	-122.07
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCNC(C)=O)C=C1	REAL300000377820	0	45	-2.0	-139.39	398.50	4.13	-135.26
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000377821	0	34	-2.0	-134.00	322.28	5.84	-128.16
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000377822	0	43	-3.0	-206.47	377.16	6.92	-199.55
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000377822	1	44	-2.0	-143.54	375.17	6.53	-137.01
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300000377823	0	42	-2.0	-130.57	368.98	7.75	-122.82
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000377824	0	34	-2.0	-136.30	328.19	5.72	-130.58
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000377825	0	41	-2.0	-139.96	375.73	2.81	-137.15
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377826	0	43	-2.0	-140.07	385.56	4.00	-136.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000377827	0	39	-2.0	-127.90	339.75	4.41	-123.49
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(OC)C(C)=C1	REAL300000377828	0	42	-2.0	-129.37	359.83	5.15	-124.22
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300000377829	0	43	-2.0	-140.74	382.86	4.31	-136.43
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1O	REAL300000377830	0	36	-2.0	-133.98	325.99	2.71	-131.27
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000377831	0	40	-3.0	-201.21	353.40	6.63	-194.58
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1OC	REAL300000377831	1	41	-2.0	-137.81	357.27	6.59	-131.22
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000377832	0	35	-2.0	-131.71	334.32	5.24	-126.47
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000377833	0	41	-3.0	-209.06	373.69	5.47	-203.59
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000377834	0	36	-4.0	-284.17	351.66	5.47	-278.70
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000377834	1	37	-3.0	-197.38	351.64	5.42	-191.96
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)S1	REAL300000377835	0	35	-2.0	-121.58	342.68	4.11	-117.47
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000377836	0	41	-3.0	-208.04	367.51	6.80	-201.24
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000377836	1	42	-2.0	-140.07	367.77	6.86	-133.21
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300000377837	0	40	-2.0	-140.95	354.31	6.97	-133.98
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000377838	0	36	-2.0	-119.74	332.60	4.72	-115.02
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000377839	0	32	-2.0	-126.83	309.71	4.68	-122.15
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCNC(C)=O)S1	REAL300000377840	0	42	-2.0	-137.76	390.89	3.28	-134.48
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)NC(C)=O)S1	REAL300000377841	0	42	-2.0	-127.22	388.01	3.33	-123.89
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000377842	0	34	-3.0	-190.83	326.27	4.04	-186.79
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000377843	0	35	-2.0	-151.96	322.99	3.55	-148.41
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377844	0	38	-2.0	-135.86	355.06	5.06	-130.80
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000377845	0	42	-2.0	-140.35	366.32	5.72	-134.63
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000377846	0	35	-2.0	-117.93	339.13	5.40	-112.53
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377847	0	48	-2.0	-126.55	410.65	6.93	-119.62
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300000377848	0	34	-2.0	-141.07	328.52	6.50	-134.57
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000377849	0	37	-2.0	-140.22	343.13	4.51	-135.71
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(Br)=C1	REAL300000377850	0	31	-2.0	-119.07	311.14	3.15	-115.92
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377851	0	46	-2.0	-129.57	401.64	4.80	-124.77
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000377852	0	34	-2.0	-146.02	320.78	5.97	-140.05
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000377853	0	38	-3.0	-200.33	352.22	4.00	-196.33
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000377854	0	39	-2.0	-126.47	355.37	5.47	-121.00
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300000377855	0	42	-2.0	-126.18	380.77	5.90	-120.28
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000377856	0	31	-2.0	-118.86	296.22	2.62	-116.24
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300000377857	0	38	-2.0	-126.23	349.24	5.86	-120.37
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300000377858	0	42	-2.0	-125.60	375.05	5.26	-120.34
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377859	0	35	-2.0	-127.58	342.85	4.00	-123.58
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000377860	0	40	-2.0	-126.07	353.24	6.75	-119.32
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300000377861	0	37	-2.0	-131.58	330.96	4.77	-126.81
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000377862	0	31	-2.0	-118.72	319.94	3.47	-115.25
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000377863	0	41	-3.0	-182.17	374.42	5.89	-176.28
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000377863	1	42	-2.0	-108.04	374.35	5.86	-102.18
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000377864	0	32	-2.0	-136.95	298.98	3.43	-133.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000377865	0	42	-2.0	-127.63	361.61	5.34	-122.29
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300000377866	0	40	-2.0	-122.06	361.12	4.06	-118.00
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300000377867	0	36	-2.0	-116.69	334.55	1.32	-115.37
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000377868	0	32	-2.0	-116.33	310.76	2.85	-113.48
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300000377869	0	41	-2.0	-132.20	376.35	7.18	-125.02
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000377870	0	32	-2.0	-131.09	306.57	4.47	-126.62
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C(F)=C1	REAL300000377871	0	36	-2.0	-133.06	332.79	3.92	-129.14
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000377872	0	38	-2.0	-138.12	356.70	6.25	-131.87
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300000377873	0	34	-2.0	-133.88	332.61	6.29	-127.59
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000377874	0	37	-3.0	-190.65	343.97	5.72	-184.93
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000377874	1	38	-2.0	-127.34	344.83	5.77	-121.57
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000377875	0	38	-2.0	-136.46	337.93	3.98	-132.48
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C)=N1	REAL300000377876	0	35	-2.0	-138.49	319.35	3.26	-135.23
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000377877	0	38	-3.0	-179.77	360.56	5.25	-174.52
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000377877	1	39	-2.0	-112.22	360.63	5.22	-107.00
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000377878	0	36	-2.0	-132.60	332.81	4.39	-128.21
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377879	0	41	-2.0	-133.09	371.46	5.92	-127.17
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000377880	0	35	-2.0	-125.19	320.88	2.90	-122.29
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377881	0	44	-2.0	-123.02	392.94	6.73	-116.29
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377882	0	39	-2.0	-133.04	349.86	4.07	-128.97
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000377883	0	38	-2.0	-138.20	346.38	5.80	-132.40
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300000377884	0	35	-2.0	-128.12	339.36	5.42	-122.70
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300000377885	0	35	-2.0	-122.75	327.08	5.80	-116.95
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300000377886	0	32	-2.0	-126.78	326.88	4.45	-122.33
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1C(=O)[O-]	REAL300000377887	0	41	-3.0	-206.62	372.41	5.88	-200.74
CCOC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2OC)C=C1C(=O)[O-]	REAL300000377887	1	42	-2.0	-108.27	372.43	5.84	-102.43
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000377888	0	37	-2.0	-128.16	330.77	3.64	-124.52
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1F	REAL300000377889	0	41	-2.0	-120.57	376.00	5.95	-114.62
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000377890	0	32	-2.0	-125.74	314.33	4.98	-120.76
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300000377891	0	41	-2.0	-132.44	371.20	3.41	-129.03
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC(F)(F)F	REAL300000377892	0	35	-2.0	-119.61	333.12	2.59	-117.02
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300000377893	0	40	-2.0	-128.67	351.71	4.95	-123.72
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000377894	0	36	-2.0	-121.56	339.10	1.20	-120.36
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C	REAL300000377895	0	32	-2.0	-122.62	295.19	1.39	-121.23
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377896	0	36	-2.0	-132.39	324.29	3.65	-128.74
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C	REAL300000377897	0	35	-2.0	-130.90	310.28	5.12	-125.78
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N=C(NC(C)=O)S1	REAL300000377898	0	38	-2.0	-131.45	356.12	2.58	-128.87
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N=C([N-]C(C)=O)S1	REAL300000377898	1	37	-3.0	-192.66	353.11	1.45	-191.21
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000377899	0	32	-2.0	-135.06	299.64	1.88	-133.18
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000377900	0	32	-2.0	-119.32	295.04	1.98	-117.34
COC1=CC=C(OCCCS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377901	1	46	-2.0	-127.52	398.89	4.77	-122.75
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000377902	0	36	-2.0	-133.29	314.15	2.57	-130.72
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCCO1	REAL300000377903	0	39	-2.0	-131.30	331.65	3.63	-127.67
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1F	REAL300000377906	0	35	-2.0	-134.33	321.71	5.08	-129.25
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C)=C1	REAL300000377907	0	35	-2.0	-122.56	321.53	5.04	-117.52
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)O1	REAL300000377908	0	35	-2.0	-121.39	334.34	3.13	-118.26
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000377909	0	37	-2.0	-147.86	334.73	4.98	-142.88
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300000377910	0	38	-2.0	-134.57	361.22	5.03	-129.54
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000377911	0	32	-2.0	-119.61	312.97	4.53	-115.08
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000377912	0	34	-3.0	-196.60	332.96	4.79	-191.81
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1C	REAL300000377913	0	41	-2.0	-131.52	359.13	5.66	-125.86
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377914	0	36	-2.0	-131.74	337.40	4.21	-127.53
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300000377915	0	34	-2.0	-119.30	325.47	3.57	-115.73
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000377916	0	38	-2.0	-138.29	352.96	1.94	-136.35
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300000377917	0	42	-2.0	-129.11	356.13	5.05	-124.06
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377918	0	41	-2.0	-136.41	371.77	5.79	-130.62
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300000377920	0	43	-2.0	-153.66	373.97	5.40	-148.26
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300000377921	0	44	-2.0	-127.08	372.90	4.98	-122.10
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CS1	REAL300000377922	0	32	-2.0	-129.23	303.03	4.17	-125.06
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377923	0	38	-2.0	-126.04	366.32	5.50	-120.54
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1C	REAL300000377924	0	41	-2.0	-127.00	353.31	4.25	-122.75
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1C	REAL300000377925	0	41	-2.0	-124.46	365.60	5.54	-118.92
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300000377926	0	37	-2.0	-116.83	339.01	5.53	-111.30
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000377929	0	40	-2.0	-142.72	354.38	2.80	-139.92
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300000377930	0	41	-2.0	-144.89	379.84	2.54	-142.35
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300000377931	0	36	-2.0	-126.50	331.07	5.52	-120.98
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1	REAL300000377932	0	39	-2.0	-136.86	356.01	3.35	-133.51
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1F	REAL300000377933	0	37	-2.0	-128.68	344.48	5.60	-123.08
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300000377934	0	44	-2.0	-128.54	347.47	6.93	-121.61
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300000377935	0	40	-2.0	-125.16	368.58	5.47	-119.69
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300000377936	0	42	-2.0	-148.86	369.42	4.15	-144.71
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC	REAL300000377937	0	36	-2.0	-131.49	332.44	4.80	-126.69
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1C	REAL300000377938	0	36	-2.0	-121.35	331.04	5.50	-115.85
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000377939	0	44	-2.0	-127.94	356.37	7.84	-120.10
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300000377941	0	41	-2.0	-136.14	363.49	4.41	-131.73
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1OC	REAL300000377942	0	42	-2.0	-126.96	376.90	5.05	-121.91
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000377943	0	33	-2.0	-124.05	321.10	4.80	-119.25
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300000377944	0	37	-2.0	-126.50	338.45	2.01	-124.49
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000377945	0	38	-2.0	-125.35	339.55	3.43	-121.92
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1S(N)(=O)=O	REAL300000377946	0	37	-2.0	-128.17	332.63	0.82	-127.35
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000377947	0	37	-2.0	-130.16	335.76	4.74	-125.42
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000377948	0	38	-2.0	-131.11	354.17	3.12	-127.99
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000377949	0	38	-2.0	-135.18	338.76	2.78	-132.40
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1[N+](=O)[O-]	REAL300000377950	0	35	-2.0	-129.16	336.63	6.15	-123.01
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300000377953	0	41	-2.0	-131.45	366.99	5.73	-125.72
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377954	0	43	-2.0	-122.94	377.40	3.98	-118.96
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000377955	0	32	-2.0	-112.14	313.79	4.53	-107.61
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300000377956	0	43	-2.0	-126.63	377.43	6.19	-120.44
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOC(C)C	REAL300000377957	0	38	-2.0	-121.95	333.82	2.87	-119.08
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CN1C	REAL300000377958	0	39	-2.0	-131.86	355.96	4.44	-127.42
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000377959	0	47	-2.0	-130.00	385.24	7.13	-122.87
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000377960	0	34	-3.0	-180.48	336.31	5.48	-175.00
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000377961	0	34	-3.0	-181.32	327.78	4.95	-176.37
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000377961	1	35	-2.0	-113.51	327.80	4.91	-108.60
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300000377962	0	40	-2.0	-138.53	361.27	3.76	-134.77
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300000377963	0	39	-2.0	-129.42	359.76	5.62	-123.80
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300000377964	0	42	-2.0	-138.64	362.44	4.58	-134.06
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300000377965	0	38	-2.0	-123.43	341.84	5.68	-117.75
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300000377966	0	35	-2.0	-121.63	339.62	2.41	-119.22
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000377967	0	31	-3.0	-184.94	315.52	4.03	-180.91
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000377968	0	41	-2.0	-136.92	359.54	5.30	-131.62
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000377969	0	34	-3.0	-188.91	329.68	4.96	-183.95
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000377969	1	35	-2.0	-128.64	329.75	4.94	-123.70
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000377970	0	37	-3.0	-200.59	349.01	5.60	-194.99
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000377971	0	46	-2.0	-126.00	387.62	6.40	-119.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CN1	REAL300000377972	0	36	-2.0	-128.76	338.20	2.69	-126.07
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000377973	0	34	-3.0	-182.80	328.72	4.98	-177.82
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000377974	0	34	-3.0	-180.13	335.76	5.31	-174.82
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000377974	1	35	-2.0	-109.19	335.79	5.26	-103.93
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000377975	0	35	-2.0	-125.47	315.59	5.15	-120.32
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1C	REAL300000377976	0	41	-2.0	-126.71	365.64	5.52	-121.19
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CS1	REAL300000377977	0	35	-2.0	-128.06	342.07	4.02	-124.04
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1F	REAL300000377978	0	38	-2.0	-120.25	354.13	5.02	-115.23
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N=C(C)S1	REAL300000377979	0	34	-2.0	-125.26	320.03	2.92	-122.34
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000377980	0	36	-2.0	-136.49	337.05	5.51	-130.98
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300000377981	0	40	-2.0	-115.47	353.15	6.69	-108.78
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(O)C(NC(C)=O)=C1	REAL300000377982	0	40	-2.0	-143.44	360.41	0.52	-142.92
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000377985	0	37	-3.0	-192.98	352.70	6.10	-186.88
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000377985	1	38	-2.0	-128.88	353.53	6.16	-122.72
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300000377986	0	38	-2.0	-126.37	349.02	6.12	-120.25
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377987	0	38	-2.0	-132.15	337.69	5.78	-126.37
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300000377988	0	35	-2.0	-126.17	350.43	6.27	-119.90
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300000377989	0	35	-2.0	-126.53	322.63	5.07	-121.46
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377991	0	38	-2.0	-122.77	352.69	3.80	-118.97
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000377992	0	38	-2.0	-124.79	346.19	3.40	-121.39
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000377993	0	34	-3.0	-185.11	334.08	5.00	-180.11
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000377993	1	35	-2.0	-100.66	334.10	4.96	-95.70
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000377994	0	36	-3.0	-182.22	351.46	5.57	-176.65
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300000377995	0	35	-2.0	-131.04	348.15	6.22	-124.82
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377996	0	42	-2.0	-141.20	377.74	4.80	-136.40
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000377997	0	44	-2.0	-134.86	382.69	6.32	-128.54
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300000377998	0	43	-2.0	-128.52	372.23	5.60	-122.92
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300000377999	0	35	-2.0	-124.93	326.98	5.11	-119.82
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300000378000	0	38	-2.0	-138.79	346.58	7.39	-131.40
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000378001	0	38	-2.0	-140.11	335.84	6.66	-133.45
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000378002	0	34	-2.0	-125.95	326.79	3.83	-122.12
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000378003	0	35	-3.0	-201.53	332.98	2.62	-198.91
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000378004	0	42	-2.0	-135.66	350.11	6.98	-128.68
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000378005	0	37	-3.0	-190.24	345.45	5.68	-184.56
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000378005	1	38	-2.0	-110.68	345.42	5.65	-105.03
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C(Cl)=C1	REAL300000378006	0	39	-2.0	-129.91	364.95	3.86	-126.05
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)O1	REAL300000378007	0	38	-2.0	-121.62	356.20	4.05	-117.57
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000378008	0	34	-2.0	-116.99	329.43	5.08	-111.91
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl	REAL300000378009	0	37	-2.0	-140.73	350.63	5.41	-135.32
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300000378010	0	44	-2.0	-128.36	385.51	5.88	-122.48
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300000378011	0	35	-2.0	-134.65	337.53	5.03	-129.62
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)SC=C1	REAL300000378012	0	33	-2.0	-139.77	316.97	2.64	-137.13
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378013	0	41	-2.0	-135.76	376.98	2.76	-133.00
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300000378014	0	38	-2.0	-127.39	351.55	5.45	-121.94
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000378015	0	35	-2.0	-130.85	324.56	4.74	-126.11
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300000378016	0	40	-2.0	-149.87	356.31	5.58	-144.29
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300000378017	0	43	-2.0	-124.65	378.10	3.85	-120.80
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300000378018	0	38	-2.0	-130.29	350.21	7.08	-123.21
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1	REAL300000378019	0	38	-2.0	-132.60	352.29	6.55	-126.05
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1F	REAL300000378020	0	37	-2.0	-127.80	348.81	5.72	-122.08
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378021	0	34	-2.0	-132.93	328.04	3.09	-129.84
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300000378022	1	40	-2.0	-139.52	358.97	6.29	-133.23
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1	REAL300000378023	0	37	-2.0	-115.73	355.78	4.30	-111.43
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300000378024	0	34	-2.0	-120.73	343.07	4.26	-116.47
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000378025	0	32	-2.0	-116.29	309.77	3.30	-112.99
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000378026	0	32	-2.0	-131.38	314.98	3.17	-128.21
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CC(OC)=C1	REAL300000378027	0	40	-2.0	-132.99	353.79	2.95	-130.04
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000378028	0	33	-2.0	-132.92	310.64	3.08	-129.84
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300000378029	0	40	-2.0	-142.42	345.09	7.17	-135.25
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000378030	0	33	-2.0	-119.06	317.02	2.18	-116.88
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C)S1	REAL300000378031	0	31	-2.0	-124.55	303.33	2.18	-122.37
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1Cl	REAL300000378032	0	38	-2.0	-120.69	362.12	5.39	-115.30
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C	REAL300000378033	0	37	-2.0	-118.79	343.01	5.82	-112.97
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000378034	0	37	-3.0	-194.53	333.30	5.55	-188.98
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000378034	1	38	-2.0	-102.82	334.18	5.58	-97.24
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378035	0	39	-2.0	-124.20	347.17	1.39	-122.81
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000378036	0	39	-2.0	-148.86	359.41	2.21	-146.65
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000378037	0	37	-3.0	-196.91	348.09	5.56	-191.35
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000378037	1	38	-2.0	-139.72	348.08	5.51	-134.21
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000378038	0	37	-3.0	-183.37	338.67	5.68	-177.69
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000378038	1	38	-2.0	-111.94	339.67	5.73	-106.21
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378039	0	38	-2.0	-133.79	353.74	5.44	-128.35
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300000378040	0	33	-2.0	-126.13	324.09	5.01	-121.12
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C(C)N1	REAL300000378041	0	45	-2.0	-127.85	390.81	5.02	-122.83
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300000378042	0	35	-2.0	-129.10	326.99	5.12	-123.98
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300000378043	0	38	-2.0	-116.30	350.33	5.08	-111.22
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000378044	0	40	-3.0	-204.17	356.72	5.98	-198.19
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000378044	1	41	-2.0	-103.63	356.44	5.93	-97.70
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300000378045	0	38	-2.0	-140.40	352.54	7.17	-133.23
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000378046	0	36	-3.0	-193.96	349.84	6.00	-187.96
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000378047	0	35	-2.0	-126.10	340.12	5.83	-120.27
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1CC	REAL300000378048	0	44	-2.0	-132.67	371.94	6.91	-125.76
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000378049	0	34	-3.0	-188.33	335.00	5.03	-183.30
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1	REAL300000378050	0	37	-2.0	-117.40	347.84	5.67	-111.73
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378051	0	38	-2.0	-134.28	356.76	6.24	-128.04
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000378052	0	31	-2.0	-124.93	313.76	3.79	-121.14
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000378053	0	38	-2.0	-136.66	340.24	4.73	-131.93
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000378054	0	37	-2.0	-118.80	345.54	3.17	-115.63
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000378055	0	31	-2.0	-116.73	320.24	3.54	-113.19
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000378056	0	40	-3.0	-198.98	357.74	6.30	-192.68
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000378056	1	41	-2.0	-106.25	358.10	6.33	-99.92
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000378057	0	37	-3.0	-200.58	344.74	5.51	-195.07
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000378058	0	37	-3.0	-198.68	355.04	6.04	-192.64
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000378059	0	37	-3.0	-204.02	348.29	5.60	-198.42
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300000378060	0	32	-2.0	-115.54	322.04	4.81	-110.73
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378061	0	40	-2.0	-141.29	357.89	5.62	-135.67
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000378062	0	39	-2.0	-123.36	354.55	1.96	-121.40
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C([N+](=O)[O-])=N1	REAL300000378063	0	37	-2.0	-131.65	345.11	5.18	-126.47
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1C(=O)[O-]	REAL300000378064	0	40	-3.0	-202.90	357.58	6.10	-196.80
CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2OC)C=C1C(=O)[O-]	REAL300000378064	1	41	-2.0	-140.65	357.51	6.05	-134.60
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000378065	0	43	-2.0	-125.89	371.96	2.88	-123.01
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300000378068	0	36	-2.0	-138.08	332.06	5.13	-132.95
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1C	REAL300000378069	0	37	-3.0	-184.33	343.73	4.83	-179.50
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1C	REAL300000378069	1	38	-2.0	-124.52	341.78	4.43	-120.09
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000378070	0	41	-2.0	-129.77	367.79	5.99	-123.78
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378071	0	38	-2.0	-136.58	342.29	5.09	-131.49
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000378072	0	40	-2.0	-123.60	352.84	2.10	-121.50
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300000378073	0	39	-2.0	-130.87	359.17	4.88	-125.99
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1F	REAL300000378074	0	35	-2.0	-136.01	320.61	5.06	-130.95
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000378075	0	38	-2.0	-121.44	343.84	1.96	-119.48
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000378076	0	39	-2.0	-139.34	340.74	4.37	-134.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1CC(=O)[O-]	REAL300000378077	0	41	-3.0	-203.20	373.73	5.03	-198.17
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2OC)C=C1CC(=O)[O-]	REAL300000378077	1	42	-2.0	-106.01	373.81	5.00	-101.01
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000378078	0	39	-2.0	-130.41	349.88	4.07	-126.34
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378079	0	37	-2.0	-134.62	334.06	1.33	-133.29
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300000378080	0	35	-2.0	-131.99	326.66	5.49	-126.50
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C)=C1	REAL300000378082	0	35	-2.0	-127.64	317.75	3.92	-123.72
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300000378083	0	38	-2.0	-133.75	341.05	2.01	-131.74
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000378084	0	40	-2.0	-129.82	348.50	4.97	-124.85
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378085	0	41	-2.0	-125.05	377.86	6.00	-119.05
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378086	0	39	-2.0	-129.09	341.40	4.38	-124.71
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C(C(=O)OC)O1	REAL300000378087	0	41	-2.0	-123.49	371.80	4.76	-118.73
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300000378088	0	42	-2.0	-127.68	364.08	5.19	-122.49
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)O1	REAL300000378089	0	32	-2.0	-128.23	299.40	3.16	-125.07
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)S1	REAL300000378090	0	35	-2.0	-130.35	328.44	4.76	-125.59
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000378091	0	35	-2.0	-125.22	320.85	3.00	-122.22
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300000378092	0	40	-2.0	-147.99	348.43	6.10	-141.89
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000378093	0	38	-2.0	-141.32	344.07	6.35	-134.97
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378094	0	38	-2.0	-133.29	346.43	5.80	-127.49
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000378095	0	34	-2.0	-113.56	327.54	5.03	-108.53
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000378096	0	37	-3.0	-187.04	349.52	6.09	-180.95
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000378096	1	38	-2.0	-105.40	347.32	5.66	-99.74
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000378097	0	32	-2.0	-119.76	317.95	4.93	-114.83
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C(C)O1	REAL300000378098	0	38	-2.0	-123.32	352.64	3.91	-119.41
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000378099	0	31	-2.0	-119.12	306.57	3.04	-116.08
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000378100	0	37	-3.0	-196.85	354.48	5.87	-190.98
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000378100	1	38	-2.0	-136.94	354.47	5.82	-131.12
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)N=C1C	REAL300000378101	0	38	-2.0	-138.91	340.41	4.14	-134.77
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300000378102	0	35	-2.0	-131.45	329.34	5.58	-125.87
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1C(=O)[O-]	REAL300000378103	0	38	-3.0	-198.17	351.21	5.11	-193.06
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378104	0	35	-2.0	-126.08	334.69	3.08	-123.00
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378105	0	44	-2.0	-128.46	374.28	4.90	-123.56
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CN1C	REAL300000378106	0	42	-2.0	-131.32	377.83	5.37	-125.95
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300000378107	0	40	-2.0	-122.87	354.49	6.30	-116.57
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000378108	0	32	-2.0	-134.49	310.85	5.14	-129.35
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1Cl	REAL300000378109	0	34	-2.0	-126.91	324.69	3.66	-123.25
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300000378110	0	37	-2.0	-127.93	343.84	4.54	-123.39
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300000378111	0	36	-2.0	-125.35	350.02	5.82	-119.53
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)S1	REAL300000378112	0	34	-2.0	-124.23	324.81	2.93	-121.30
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3OC)C=C12	REAL300000378113	0	39	-2.0	-116.15	356.03	2.06	-114.09
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300000378114	0	34	-2.0	-122.59	332.93	4.67	-117.92
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300000378115	1	42	-2.0	-134.53	377.45	0.95	-133.58
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(OC)=C1	REAL300000378116	0	35	-2.0	-116.79	335.65	2.30	-114.49
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3OC)=CC=C21	REAL300000378117	0	41	-2.0	-124.83	370.72	5.31	-119.52
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000378118	0	34	-2.0	-116.55	329.52	3.59	-112.96
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378119	0	38	-2.0	-125.54	356.00	5.07	-120.47
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(=O)(=O)F)C=C1	REAL300000378120	0	35	-2.0	-125.96	340.18	1.57	-124.39
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300000378121	0	47	-2.0	-127.71	387.61	5.36	-122.35
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300000378122	0	39	-2.0	-124.15	344.89	4.46	-119.69
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000378123	0	33	-2.0	-120.72	328.68	5.30	-115.42
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000378124	0	35	-2.0	-139.72	322.73	4.66	-135.06
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378125	0	37	-2.0	-124.53	344.77	3.20	-121.33
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378126	0	43	-2.0	-139.99	384.94	4.45	-135.54
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000378127	0	29	-2.0	-121.86	299.18	3.06	-118.80
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300000378128	0	41	-2.0	-139.62	370.84	3.32	-136.30
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300000378129	0	40	-2.0	-128.41	354.50	6.29	-122.12
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300000378130	0	42	-2.0	-137.82	358.34	6.10	-131.72
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300000378131	0	32	-2.0	-125.81	315.87	4.74	-121.07
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCOC1	REAL300000378132	1	39	-2.0	-128.86	327.95	3.13	-125.73
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300000378133	1	40	-2.0	-132.43	345.88	4.74	-127.69
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CS1	REAL300000378134	1	35	-2.0	-125.09	329.65	4.99	-120.10
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378135	0	44	-2.0	-134.15	386.88	6.70	-127.45
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300000378136	0	32	-2.0	-119.39	329.97	5.46	-113.93
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300000378137	0	32	-2.0	-121.95	323.79	4.56	-117.39
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C(OC)=C1	REAL300000378138	0	42	-2.0	-130.56	377.79	4.80	-125.76
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000378139	0	35	-2.0	-136.45	328.96	5.28	-131.17
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300000378140	0	35	-2.0	-123.43	339.03	5.41	-118.02
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000378141	0	35	-2.0	-123.78	332.72	3.23	-120.55
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1SC	REAL300000378142	0	36	-2.0	-137.52	330.88	5.41	-132.11
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)F)=C1	REAL300000378143	0	35	-2.0	-132.32	341.41	1.44	-130.88
COC(=O)C(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC)C1=CC=CC=C1	REAL300000378144	0	44	-2.0	-124.51	382.22	7.18	-117.33
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300000378145	0	40	-2.0	-121.79	364.24	5.63	-116.16
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300000378146	0	41	-2.0	-134.33	348.80	6.34	-127.99
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C(C)=CS1	REAL300000378147	0	38	-2.0	-139.67	350.02	5.53	-134.14
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300000378148	0	36	-2.0	-121.15	330.53	3.71	-117.44
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000378149	0	31	-2.0	-135.05	307.49	4.75	-130.30
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000378150	0	31	-2.0	-112.67	289.26	0.75	-111.92
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000378151	0	37	-2.0	-122.19	339.16	3.47	-118.72
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000378152	0	31	-2.0	-118.25	315.97	4.11	-114.14
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300000378153	1	41	-2.0	-131.27	356.84	5.78	-125.49
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000378154	0	40	-2.0	-131.00	361.99	2.56	-128.44
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000378155	0	36	-2.0	-131.53	322.92	3.79	-127.74
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000378156	0	33	-2.0	-125.32	328.72	5.31	-120.01
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000378157	0	35	-2.0	-124.75	338.75	3.41	-121.34
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378158	0	38	-2.0	-129.55	325.01	6.07	-123.48
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300000378159	0	40	-2.0	-145.16	348.77	4.86	-140.30
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1F	REAL300000378161	0	35	-2.0	-135.50	314.39	5.32	-130.18
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000378162	0	36	-2.0	-143.02	333.18	4.42	-138.60
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(CC2CC2)N=C1C	REAL300000378163	0	45	-2.0	-127.41	385.01	5.80	-121.61
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C(C)C=CN=C12	REAL300000378164	0	40	-2.0	-147.60	352.68	5.52	-142.08
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC(C)(C)C#N	REAL300000378165	1	38	-2.0	-126.32	334.03	4.19	-122.13
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000378166	0	36	-2.0	-132.67	346.06	1.63	-131.04
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000378167	0	33	-2.0	-136.07	319.57	2.65	-133.42
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378168	0	35	-2.0	-125.25	319.39	1.82	-123.43
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1OC	REAL300000378169	0	42	-2.0	-124.42	376.89	5.06	-119.36
COCCOCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378170	0	46	-2.0	-126.59	402.65	1.71	-124.88
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300000378171	0	38	-2.0	-126.03	336.29	3.78	-122.25
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300000378173	0	38	-2.0	-127.01	345.20	5.62	-121.39
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000378174	0	37	-3.0	-192.73	353.12	5.87	-186.86
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000378174	1	38	-2.0	-99.89	352.92	5.81	-94.08
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300000378175	0	42	-2.0	-127.96	364.98	4.20	-123.76
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378176	0	41	-2.0	-144.86	361.90	6.66	-138.20
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300000378177	0	38	-2.0	-138.85	356.01	5.90	-132.95
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300000378178	1	35	-2.0	-126.26	334.66	5.63	-120.63
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(NC(C)=O)S1	REAL300000378179	0	35	-2.0	-131.47	339.77	1.82	-129.65
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300000378179	1	34	-3.0	-192.08	336.46	0.70	-191.38
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1	REAL300000378180	0	39	-2.0	-129.02	355.70	3.37	-125.65
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300000378181	0	36	-2.0	-124.01	340.27	3.98	-120.03
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000378182	0	35	-2.0	-117.10	339.13	5.40	-111.70
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300000378183	0	37	-2.0	-129.69	351.59	-0.05	-129.74
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000378184	0	36	-2.0	-130.20	327.66	5.60	-124.60
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000378185	0	36	-2.0	-136.52	337.08	5.50	-131.02
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000378186	0	32	-2.0	-122.32	324.66	5.41	-116.91
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300000378187	0	38	-2.0	-121.23	331.33	6.09	-115.14
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300000378188	0	33	-2.0	-116.57	302.33	1.71	-114.86
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300000378189	0	32	-2.0	-119.88	324.82	5.73	-114.15
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300000378190	0	36	-2.0	-133.87	339.79	4.66	-129.21
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000378191	0	33	-2.0	-123.31	322.30	3.12	-120.19
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300000378193	0	43	-2.0	-130.17	376.05	5.13	-125.04
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378194	0	39	-2.0	-133.02	339.77	4.42	-128.60
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(OC)C(Cl)=C1	REAL300000378195	0	39	-2.0	-126.60	355.36	4.98	-121.62
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000378197	0	30	-2.0	-118.70	307.32	3.90	-114.80
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1	REAL300000378198	0	34	-2.0	-126.06	311.40	3.17	-122.89
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000378199	0	37	-2.0	-128.73	335.98	4.71	-124.02
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C(F)=C1	REAL300000378200	0	38	-2.0	-126.81	355.05	5.07	-121.74
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300000378201	0	38	-2.0	-121.99	354.12	5.03	-116.96
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378202	0	40	-2.0	-140.73	370.94	6.19	-134.54
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300000378203	0	36	-2.0	-120.94	334.78	5.24	-115.70
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000378204	0	31	-2.0	-112.49	312.53	3.03	-109.46
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(C)OC	REAL300000378205	0	35	-2.0	-128.39	310.80	2.11	-126.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C(F)=C1	REAL300000378206	0	36	-2.0	-130.87	329.78	3.71	-127.16
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300000378207	0	40	-2.0	-142.53	355.58	7.53	-135.00
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300000378208	0	38	-2.0	-130.62	355.80	6.12	-124.50
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300000378209	0	38	-2.0	-128.83	340.51	4.86	-123.97
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000378210	0	35	-2.0	-127.60	328.98	5.27	-122.33
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000378211	0	42	-2.0	-135.77	369.01	7.75	-128.02
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=NN1C	REAL300000378213	0	35	-2.0	-120.34	311.66	2.80	-117.54
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378214	0	41	-2.0	-135.13	376.92	5.98	-129.15
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300000378215	1	38	-2.0	-125.00	356.16	6.41	-118.59
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000378216	0	30	-2.0	-118.77	298.77	2.88	-115.89
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000378217	0	29	-2.0	-126.06	285.91	3.25	-122.81
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378218	0	43	-2.0	-140.38	378.13	3.86	-136.52
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000378219	0	37	-3.0	-183.45	339.27	5.45	-178.00
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000378219	1	38	-2.0	-107.07	339.83	5.45	-101.62
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000378220	0	35	-2.0	-121.39	321.98	1.03	-120.36
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000378221	0	32	-2.0	-129.11	317.03	4.93	-124.18
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300000378222	1	45	-2.0	-128.37	394.95	5.96	-122.41
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378223	0	43	-2.0	-131.97	372.93	5.46	-126.51
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378224	0	41	-2.0	-132.03	372.32	7.12	-124.91
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300000378225	0	41	-2.0	-131.57	368.15	6.83	-124.74
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000378226	0	35	-2.0	-131.99	331.30	5.71	-126.28
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378227	0	44	-2.0	-137.82	393.62	6.70	-131.12
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378228	0	38	-2.0	-142.43	355.49	6.38	-136.05
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)N(C)N=C1	REAL300000378229	0	41	-2.0	-128.45	365.89	4.35	-124.10
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1C	REAL300000378230	0	44	-2.0	-127.14	387.50	6.45	-120.69
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300000378231	0	43	-2.0	-144.08	372.52	5.56	-138.52
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000378232	0	35	-2.0	-134.84	321.40	2.98	-131.86
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300000378233	0	38	-2.0	-121.14	349.35	6.14	-115.00
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378234	0	39	-2.0	-132.62	346.15	4.56	-128.06
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000378235	0	32	-2.0	-129.92	317.17	5.20	-124.72
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378236	0	38	-2.0	-156.26	339.20	1.94	-154.32
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300000378237	0	41	-2.0	-133.24	362.09	7.27	-125.97
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000378238	0	29	-2.0	-129.85	302.78	3.80	-126.05
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CS1	REAL300000378239	0	32	-2.0	-128.10	308.37	4.01	-124.09
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1	REAL300000378240	0	45	-2.0	-135.06	390.80	4.69	-130.37
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000378241	0	29	-2.0	-122.01	293.09	1.15	-120.86
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300000378242	0	37	-2.0	-138.01	349.31	5.41	-132.60
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000378243	0	31	-2.0	-120.79	301.72	2.45	-118.34
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000378244	0	41	-2.0	-123.17	359.33	3.40	-119.77
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000378245	0	41	-2.0	-122.05	363.97	2.89	-119.16
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300000378247	0	40	-2.0	-127.64	355.34	5.31	-122.33
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000378248	0	35	-2.0	-124.29	330.98	4.81	-119.48
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300000378249	0	35	-2.0	-131.43	346.09	6.40	-125.03
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378250	0	37	-2.0	-138.23	335.89	3.95	-134.28
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=NS1	REAL300000378251	0	31	-2.0	-120.46	303.29	2.64	-117.82
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(=O)S1	REAL300000378252	1	29	-2.0	-118.54	291.63	0.23	-118.31
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300000378253	0	36	-2.0	-127.73	343.63	3.05	-124.68
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000378253	1	35	-3.0	-215.22	340.06	3.91	-211.31
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300000378254	0	38	-2.0	-121.94	350.70	5.75	-116.19
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300000378255	0	36	-2.0	-157.68	325.95	1.63	-156.05
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000378256	0	39	-2.0	-130.11	344.02	6.45	-123.66
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000378257	0	29	-2.0	-133.29	293.08	3.39	-129.90
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(C)=CC2=C1	REAL300000378258	0	41	-2.0	-124.60	366.30	4.09	-120.51
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300000378259	0	38	-2.0	-142.37	355.62	2.76	-139.61
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300000378260	0	35	-2.0	-125.65	333.43	3.19	-122.46
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000378261	0	41	-2.0	-128.93	359.64	5.94	-122.99
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000378262	0	33	-2.0	-117.32	321.51	4.78	-112.54
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1=CC=CC=C1	REAL300000378263	0	42	-2.0	-126.38	365.42	4.91	-121.47
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)CCCCC1	REAL300000378264	0	47	-2.0	-136.94	380.36	5.89	-131.05
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F	REAL300000378265	0	37	-2.0	-119.05	347.16	5.71	-113.34
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000378266	0	37	-3.0	-197.84	343.21	5.72	-192.12
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000378266	1	38	-2.0	-143.65	341.23	5.31	-138.34
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300000378267	0	33	-2.0	-125.04	327.68	3.63	-121.41
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000378268	0	36	-3.0	-206.69	347.01	6.77	-199.92
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)CC1	REAL300000378269	0	36	-2.0	-132.90	316.34	3.39	-129.51
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(C)=O	REAL300000378270	0	32	-2.0	-154.39	300.15	0.28	-154.11
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C(F)C=C1C	REAL300000378271	0	41	-2.0	-128.62	371.06	5.60	-123.02
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000378272	0	32	-2.0	-119.21	327.38	4.54	-114.67
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000378273	0	37	-2.0	-134.71	331.79	1.25	-133.46
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)S1	REAL300000378274	0	35	-2.0	-130.51	324.91	4.98	-125.53
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CN=C1C	REAL300000378275	0	40	-2.0	-119.78	361.03	3.68	-116.10
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000378276	0	33	-2.0	-116.09	318.19	3.20	-112.89
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000378277	0	34	-2.0	-118.03	322.35	3.72	-114.31
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300000378278	0	38	-2.0	-121.48	349.22	5.85	-115.63
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378279	0	41	-2.0	-138.02	371.75	5.78	-132.24
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300000378280	0	34	-2.0	-117.67	334.56	4.21	-113.46
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)CC1	REAL300000378283	0	41	-2.0	-138.77	361.61	5.83	-132.94
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1	REAL300000378284	0	35	-2.0	-127.11	315.46	2.57	-124.54
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000378285	0	36	-2.0	-130.67	325.90	5.44	-125.23
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378286	0	45	-2.0	-143.45	386.95	5.18	-138.27
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C	REAL300000378287	0	35	-2.0	-125.78	318.18	2.70	-123.08
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378288	0	39	-2.0	-127.12	366.61	4.57	-122.55
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000378289	0	32	-2.0	-117.82	310.67	2.94	-114.88
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378290	0	40	-2.0	-122.73	343.08	4.32	-118.41
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300000378291	0	37	-2.0	-126.05	341.23	1.55	-124.50
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000378293	0	32	-2.0	-122.27	310.44	1.88	-120.39
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000378294	0	38	-2.0	-119.78	341.10	4.28	-115.50
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)CCCC1	REAL300000378295	0	44	-2.0	-135.84	368.22	5.53	-130.31
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300000378296	0	34	-2.0	-126.05	342.96	4.26	-121.79
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300000378297	0	40	-2.0	-116.58	365.94	2.91	-113.67
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300000378298	0	39	-2.0	-135.47	350.80	4.09	-131.38
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300000378299	0	35	-2.0	-124.56	332.01	1.92	-122.64
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300000378300	0	36	-2.0	-122.21	340.34	4.20	-118.01
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(N)=O)S1	REAL300000378301	0	36	-2.0	-139.73	346.38	0.99	-138.74
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000378302	0	34	-3.0	-202.98	326.89	4.93	-198.05
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000378303	0	29	-2.0	-132.58	295.26	2.29	-130.29
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000378304	0	34	-2.0	-141.35	325.99	3.77	-137.58
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000378305	0	37	-2.0	-132.68	330.60	4.19	-128.49
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300000378306	1	39	-2.0	-129.75	344.86	6.52	-123.23
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000378307	0	38	-2.0	-138.52	345.31	6.65	-131.87
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300000378308	0	35	-2.0	-132.25	334.94	3.42	-128.83
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378309	0	38	-2.0	-133.09	363.22	5.88	-127.21
CCC1=CC(CC)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C(CC)=C1	REAL300000378310	0	50	-2.0	-128.29	399.57	9.22	-119.07
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000378311	0	35	-2.0	-130.93	321.92	5.85	-125.08
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300000378312	0	36	-2.0	-127.31	339.22	4.47	-122.84
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000378313	0	37	-2.0	-141.16	331.11	4.16	-137.00
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300000378314	0	41	-2.0	-132.42	377.21	5.83	-126.59
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300000378315	0	41	-2.0	-132.16	364.69	7.37	-124.79
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC)OC	REAL300000378316	0	38	-2.0	-128.02	327.13	3.00	-125.02
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(CC1=CC=CC=C1)OC	REAL300000378317	0	45	-2.0	-130.24	383.48	5.79	-124.45
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(CC(C)C)OC	REAL300000378318	0	44	-2.0	-128.74	364.21	4.23	-124.51
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC1CC1	REAL300000378319	0	39	-2.0	-121.87	345.22	3.71	-118.16
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300000378320	1	38	-2.0	-123.26	356.16	6.42	-116.84
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F	REAL300000378321	0	35	-2.0	-137.49	324.71	5.28	-132.21
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000378322	0	31	-2.0	-119.38	319.84	3.54	-115.84
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300000378323	0	32	-2.0	-122.02	318.39	2.49	-119.53
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000378324	0	37	-2.0	-127.65	338.65	2.80	-124.85
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(=O)C1=CC=CC=C1	REAL300000378325	0	39	-2.0	-151.64	356.98	3.07	-148.57
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000378326	0	37	-3.0	-190.50	344.42	5.48	-185.02
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000378326	1	38	-2.0	-100.17	344.24	5.42	-94.75
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1CC1	REAL300000378327	0	39	-2.0	-128.56	337.61	3.73	-124.83
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300000378328	0	36	-2.0	-134.19	329.46	4.20	-129.99
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300000378329	0	35	-2.0	-117.73	334.42	3.45	-114.28
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1[N+](=O)[O-]	REAL300000378330	0	40	-2.0	-127.10	357.35	6.18	-120.92
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300000378331	0	48	-2.0	-140.81	399.23	6.46	-134.35
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1CCOCC1	REAL300000378332	0	46	-2.0	-129.75	376.64	3.01	-126.74
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(OC)C(Cl)=C1	REAL300000378333	0	35	-2.0	-117.63	338.05	1.57	-116.06
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CON=C1C	REAL300000378334	0	31	-2.0	-117.00	291.75	2.29	-114.71
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000378335	0	36	-2.0	-123.37	344.88	2.50	-120.87
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300000378336	0	35	-2.0	-123.76	330.27	5.44	-118.32
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000378337	0	38	-2.0	-139.54	342.89	5.32	-134.22
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378338	0	41	-2.0	-136.36	375.36	5.70	-130.66
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1	REAL300000378339	0	34	-2.0	-135.13	329.38	5.54	-129.59
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(=O)N(C)C	REAL300000378340	0	37	-2.0	-142.99	335.37	0.26	-142.73
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000378341	0	35	-2.0	-122.68	336.79	2.54	-120.14
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000378342	0	31	-2.0	-130.43	295.30	2.52	-127.91
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000378345	0	31	-2.0	-117.13	296.21	2.50	-114.63
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC1CCC1	REAL300000378346	0	42	-2.0	-121.93	361.78	4.24	-117.69
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=NC(Cl)=CC=C2S1	REAL300000378347	0	34	-2.0	-126.71	345.39	4.32	-122.39
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000378348	0	30	-2.0	-131.78	305.22	3.74	-128.04
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378349	0	39	-2.0	-131.68	362.56	6.09	-125.59
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C(C)C	REAL300000378351	0	41	-2.0	-129.19	344.29	3.55	-125.64
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000378352	0	32	-2.0	-119.20	317.40	4.91	-114.29
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000378353	0	41	-2.0	-135.77	356.49	4.69	-131.08
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300000378354	0	39	-2.0	-134.74	359.91	2.21	-132.53
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000378355	0	40	-2.0	-141.44	347.00	5.54	-135.90
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=COC(C(=O)N(C)C)=C1C	REAL300000378356	0	42	-2.0	-127.06	367.94	3.31	-123.75
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C(F)=C1	REAL300000378357	0	41	-2.0	-126.20	376.91	6.00	-120.20
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300000378359	1	38	-2.0	-123.45	345.84	5.97	-117.48
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC=C1F	REAL300000378360	1	38	-2.0	-129.76	344.99	5.93	-123.83
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300000378361	1	38	-2.0	-128.62	352.11	6.27	-122.35
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300000378363	0	39	-2.0	-141.07	350.73	1.78	-139.29
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(=O)NC1=O	REAL300000378364	0	35	-2.0	-129.08	323.21	1.04	-128.04
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1(OC(C)C)CCOC1	REAL300000378365	0	46	-2.0	-131.18	370.66	3.39	-127.79
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)N(C)N=C1	REAL300000378366	0	38	-2.0	-127.85	344.04	3.42	-124.43
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1C	REAL300000378367	0	43	-2.0	-132.18	379.51	3.43	-128.75
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1=CC=C(F)C=C1	REAL300000378368	0	42	-2.0	-126.39	375.98	5.51	-120.88
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC)C1CC1	REAL300000378369	0	42	-2.0	-130.09	359.45	4.70	-125.39
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C)N1C	REAL300000378370	0	35	-2.0	-125.39	314.16	3.32	-122.07
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378371	0	45	-2.0	-130.31	384.84	6.01	-124.30
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1CCCC1	REAL300000378372	0	45	-2.0	-127.89	371.54	4.72	-123.17
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1CCCCC1	REAL300000378373	0	48	-2.0	-126.72	385.06	5.22	-121.50
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C=C1[N+](=O)[O-]	REAL300000378374	0	37	-2.0	-132.98	342.59	6.46	-126.52
CCC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=CN1CC1CC1	REAL300000378375	0	45	-2.0	-139.20	393.66	6.28	-132.92
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)O1	REAL300000378376	0	38	-2.0	-122.25	352.24	3.71	-118.54
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1	REAL300000378377	0	43	-2.0	-135.56	378.23	4.81	-130.75
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000378378	0	35	-2.0	-125.31	334.55	3.84	-121.47
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300000378379	0	40	-2.0	-122.98	358.87	6.67	-116.31
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300000378380	0	35	-2.0	-112.52	336.40	2.96	-109.56
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000378381	0	31	-2.0	-121.88	312.17	2.94	-118.94
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300000378382	0	42	-2.0	-142.96	360.90	7.75	-135.21
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300000378383	1	38	-2.0	-132.22	350.06	5.95	-126.27
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1F	REAL300000378384	0	35	-2.0	-130.99	326.88	5.12	-125.87
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)OC=C1	REAL300000378385	0	35	-2.0	-138.68	328.18	3.72	-134.96
CCC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C(C)C=C1OC	REAL300000378386	0	45	-2.0	-129.89	381.45	5.90	-123.99
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000378387	0	34	-2.0	-145.80	323.16	3.24	-142.56
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C(C)=N1	REAL300000378388	0	44	-2.0	-125.82	382.71	5.11	-120.71
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(CC1=CC=C(F)C=C1)OC	REAL300000378389	0	45	-2.0	-131.81	391.58	6.36	-125.45
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000378390	0	33	-3.0	-198.55	320.23	2.97	-195.58
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300000378391	0	36	-2.0	-129.22	327.58	4.50	-124.72
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1C(C)C	REAL300000378392	0	48	-2.0	-129.84	404.77	6.59	-123.25
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000378393	0	44	-2.0	-126.43	373.02	6.60	-119.83
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000378394	0	33	-2.0	-118.77	322.07	4.81	-113.96
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300000378395	0	35	-2.0	-122.08	327.94	2.98	-119.10
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000378396	0	34	-2.0	-125.12	318.07	3.39	-121.73
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000378396	1	34	-2.0	-141.29	317.96	3.53	-137.76
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000378397	0	36	-2.0	-136.87	328.54	4.30	-132.57
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000378398	0	42	-2.0	-124.85	355.80	4.47	-120.38
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000378399	0	44	-2.0	-124.57	363.16	4.96	-119.61
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000378401	0	42	-2.0	-125.59	362.20	4.69	-120.90
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300000378402	0	35	-2.0	-117.81	329.09	3.24	-114.57
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1Br	REAL300000378403	0	32	-2.0	-124.39	319.99	2.55	-121.84
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1CC1C1=CC=CC(F)=C1	REAL300000378404	1	39	-2.0	-136.66	342.90	6.64	-130.02
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1(COCC2=CC=CC=C2)CC1	REAL300000378405	0	46	-2.0	-141.59	401.78	6.85	-134.74
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(=O)C1CCCCC1	REAL300000378406	0	45	-2.0	-154.48	382.44	3.75	-150.73
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000378407	0	33	-2.0	-128.77	310.99	2.11	-126.66
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000378407	1	32	-3.0	-216.70	307.42	2.97	-213.73
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000378408	0	42	-2.0	-129.95	372.02	7.12	-122.83
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378409	0	35	-2.0	-145.65	327.08	1.92	-143.73
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378410	0	38	-2.0	-125.98	337.62	3.50	-122.48
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1	REAL300000378411	0	37	-2.0	-127.47	339.82	4.82	-122.65
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000378412	0	32	-2.0	-119.38	300.01	1.70	-117.68
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C#N	REAL300000378413	0	36	-2.0	-135.76	334.29	5.28	-130.48
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C#N	REAL300000378414	0	36	-2.0	-138.07	326.38	5.57	-132.50
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000378415	0	35	-2.0	-124.14	334.01	5.29	-118.85
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1CC	REAL300000378417	0	48	-2.0	-128.45	409.36	6.85	-121.60
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000378418	0	39	-2.0	-133.25	358.57	6.29	-126.96
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300000378419	0	38	-2.0	-122.29	341.66	6.53	-115.76
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378420	0	32	-2.0	-117.01	314.04	0.14	-116.87
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCC(C)(C)O1	REAL300000378421	0	45	-2.0	-134.28	366.84	4.57	-129.71
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000378422	0	28	-2.0	-120.32	281.54	2.05	-118.27
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000378425	0	38	-3.0	-188.92	351.46	4.70	-184.22
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300000378426	0	36	-2.0	-127.75	334.30	-0.05	-127.80
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378427	0	41	-2.0	-130.46	346.51	6.85	-123.61
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000378428	0	32	-2.0	-125.41	310.16	4.40	-121.01
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300000378429	1	38	-2.0	-125.18	345.84	5.97	-119.21
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000378430	0	31	-3.0	-183.55	323.37	3.88	-179.67
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000378431	0	37	-2.0	-138.74	331.04	4.85	-133.89
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378432	0	39	-2.0	-129.35	356.21	4.54	-124.81
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000378433	0	33	-2.0	-130.28	320.61	4.76	-125.52
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=N1	REAL300000378434	0	31	-2.0	-129.04	293.59	0.67	-128.37
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378435	0	35	-2.0	-117.06	349.36	3.62	-113.44
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000378436	0	39	-2.0	-125.53	344.70	4.02	-121.51
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000378437	0	39	-2.0	-122.65	342.09	4.21	-118.44
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000378438	0	42	-2.0	-122.60	364.20	4.95	-117.65
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000378439	0	32	-3.0	-211.31	333.76	3.95	-207.36
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000378439	1	33	-2.0	-101.95	332.91	3.40	-98.55
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300000378440	0	43	-2.0	-135.25	369.84	2.35	-132.90
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300000378441	0	38	-2.0	-127.64	361.64	5.26	-122.38
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000378442	0	38	-2.0	-126.00	345.52	1.57	-124.43
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000378443	0	29	-2.0	-125.48	295.47	3.07	-122.41
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(OC)C(F)=C1	REAL300000378444	0	36	-2.0	-116.70	340.67	3.90	-112.80
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000378445	0	39	-2.0	-129.38	339.18	4.37	-125.01
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(OC)C(F)=C1	REAL300000378446	0	36	-2.0	-126.53	335.98	3.78	-122.75
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C(C)C)C=C(OC)C(C)=C1	REAL300000378447	0	48	-2.0	-132.83	398.35	6.39	-126.44
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300000378448	0	42	-2.0	-136.16	369.24	5.73	-130.43
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC=C1C	REAL300000378449	0	35	-2.0	-125.92	319.53	5.02	-120.90
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000378450	0	40	-2.0	-142.62	352.05	4.93	-137.69
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000378451	0	40	-2.0	-125.51	363.48	4.00	-121.51
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300000378452	0	40	-2.0	-132.20	363.12	6.55	-125.65
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300000378453	0	36	-2.0	-131.23	331.27	5.00	-126.23
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300000378454	0	38	-2.0	-135.32	348.51	4.96	-130.36
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000378455	0	29	-2.0	-126.05	300.22	3.78	-122.27
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Br)=NN1C	REAL300000378456	0	32	-2.0	-114.55	316.75	2.46	-112.09
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000378457	0	34	-2.0	-117.81	328.70	3.49	-114.32
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300000378458	0	37	-2.0	-143.41	335.48	3.95	-139.46
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378459	0	34	-2.0	-113.21	310.03	1.67	-111.54
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000378461	0	33	-2.0	-116.35	309.67	3.13	-113.22
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000378462	0	35	-2.0	-131.54	333.64	5.78	-125.76
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000378463	0	35	-2.0	-144.45	339.71	4.05	-140.40
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000378464	0	39	-2.0	-120.97	346.74	4.06	-116.91
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300000378465	0	41	-2.0	-125.62	350.54	6.70	-118.92
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300000378466	0	40	-2.0	-134.83	350.59	4.27	-130.56
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300000378467	0	41	-2.0	-134.63	363.12	1.57	-133.06
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000378468	0	35	-2.0	-131.30	324.57	4.63	-126.67
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC(OC)=C1OC	REAL300000378469	0	40	-2.0	-137.24	354.23	4.66	-132.58
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300000378470	0	45	-2.0	-130.49	383.55	5.24	-125.25
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300000378471	0	36	-2.0	-134.25	345.64	6.28	-127.97
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000378472	0	39	-2.0	-129.23	350.09	4.26	-124.97
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300000378473	0	36	-2.0	-128.71	334.05	3.92	-124.79
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000378474	0	35	-2.0	-137.55	324.23	3.53	-134.02
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000378475	0	37	-2.0	-146.97	339.34	2.74	-144.23
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000378476	0	39	-2.0	-131.55	335.48	6.31	-125.24
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(N)C(C)=C1	REAL300000378477	0	36	-2.0	-128.18	322.82	2.05	-126.13
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378478	0	32	-2.0	-125.02	312.09	0.21	-124.81
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)NC=N1	REAL300000378479	0	32	-2.0	-136.28	293.73	2.42	-133.86
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000378481	0	35	-2.0	-126.98	328.52	4.73	-122.25
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000378482	0	42	-2.0	-129.69	366.32	4.74	-124.95
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300000378483	0	50	-2.0	-136.08	409.03	8.27	-127.81
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000378484	0	29	-2.0	-125.97	300.64	3.88	-122.09
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000378485	0	42	-2.0	-125.75	368.79	4.99	-120.76
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000378486	0	36	-2.0	-133.88	331.54	5.54	-128.34
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300000378487	0	45	-2.0	-140.27	384.59	2.75	-137.52
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300000378488	0	41	-2.0	-157.42	360.22	5.55	-151.87
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378489	0	41	-2.0	-132.41	359.19	6.56	-125.85
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378490	0	38	-2.0	-118.05	351.08	2.68	-115.37
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300000378491	0	33	-2.0	-131.25	319.32	4.70	-126.55
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000378492	0	39	-2.0	-125.61	340.51	3.87	-121.74
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000378493	0	36	-2.0	-113.48	351.24	5.69	-107.79
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C	REAL300000378495	0	38	-2.0	-128.74	324.45	5.98	-122.76
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000378496	0	41	-2.0	-119.17	341.78	4.26	-114.91
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000378497	0	41	-2.0	-126.37	359.29	4.06	-122.31
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000378498	0	39	-2.0	-126.31	343.38	3.43	-122.88
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300000378499	0	37	-2.0	-117.20	345.72	4.16	-113.04
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000378500	0	43	-2.0	-126.08	369.07	5.15	-120.93
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C([N+](=O)[O-])=C1	REAL300000378501	0	34	-2.0	-109.94	333.82	5.10	-104.84
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300000378502	0	35	-2.0	-118.68	339.95	5.41	-113.27
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000378503	0	35	-2.0	-129.70	322.80	5.16	-124.54
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000378504	0	32	-2.0	-127.05	316.33	4.72	-122.33
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000378505	0	32	-2.0	-119.61	326.54	4.45	-115.16
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=NN1C	REAL300000378506	0	35	-2.0	-120.25	316.97	2.56	-117.69
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C	REAL300000378508	0	38	-2.0	-131.77	327.29	5.65	-126.12
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000378509	0	35	-2.0	-140.11	315.78	5.64	-134.47
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378510	0	43	-2.0	-140.72	379.38	6.38	-134.34
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300000378512	0	42	-2.0	-132.32	375.04	6.04	-126.28
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300000378513	0	38	-2.0	-124.36	357.25	5.38	-118.98
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300000378514	0	37	-2.0	-126.36	353.57	4.82	-121.54
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(COC(C)=O)C=C1	REAL300000378515	0	41	-2.0	-129.66	373.21	5.99	-123.67
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000378516	0	33	-2.0	-126.60	327.42	5.20	-121.40
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000378517	0	32	-2.0	-128.03	314.81	4.59	-123.44
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000378518	0	39	-2.0	-132.11	344.03	6.45	-125.66
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=CS1	REAL300000378519	0	33	-2.0	-134.18	317.06	2.79	-131.39
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300000378520	0	35	-2.0	-127.01	327.08	5.80	-121.21
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378521	0	38	-2.0	-123.50	359.77	4.65	-118.85
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000378522	0	39	-2.0	-133.39	349.50	6.51	-126.88
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000378523	0	42	-2.0	-123.33	359.62	4.94	-118.39
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378524	0	41	-2.0	-122.35	354.73	4.23	-118.12
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000378525	0	41	-2.0	-136.21	366.03	1.85	-134.36
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300000378527	0	35	-2.0	-133.85	348.74	0.84	-133.01
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000378528	0	37	-2.0	-139.18	338.40	2.69	-136.49
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)O1	REAL300000378529	0	35	-2.0	-128.33	320.88	3.94	-124.39
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000378530	0	32	-2.0	-119.74	318.65	3.57	-116.17
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1OC	REAL300000378531	0	36	-2.0	-125.19	335.75	4.24	-120.95
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300000378532	0	46	-2.0	-128.22	393.13	3.49	-124.73
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000378533	0	38	-2.0	-128.92	348.01	5.88	-123.04
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000378534	0	36	-2.0	-128.74	334.06	3.92	-124.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)S1	REAL300000378536	0	33	-2.0	-125.51	318.58	2.80	-122.71
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300000378537	0	43	-2.0	-148.41	366.22	6.64	-141.77
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000378539	0	35	-2.0	-122.45	327.47	3.05	-119.40
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378540	0	42	-2.0	-133.38	371.72	5.04	-128.34
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1CCl	REAL300000378541	0	35	-2.0	-121.26	346.47	3.80	-117.46
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300000378542	0	42	-2.0	-122.87	374.47	5.53	-117.34
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000378543	0	45	-2.0	-125.28	381.19	5.29	-119.99
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300000378544	0	43	-2.0	-126.17	383.49	7.19	-118.98
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000378545	0	35	-2.0	-132.09	316.43	5.26	-126.83
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378546	0	44	-2.0	-134.94	376.42	7.07	-127.87
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000378547	0	35	-2.0	-131.14	320.30	4.74	-126.40
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000378548	0	34	-2.0	-130.66	325.74	3.74	-126.92
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=N1	REAL300000378549	0	34	-2.0	-124.95	315.51	1.22	-123.73
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1Cl	REAL300000378550	0	35	-2.0	-122.98	336.46	3.27	-119.71
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300000378551	0	34	-2.0	-120.08	335.81	3.62	-116.46
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000378552	0	29	-2.0	-121.40	294.54	2.95	-118.45
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300000378553	0	37	-2.0	-138.40	348.00	5.32	-133.08
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300000378554	0	41	-2.0	-140.86	353.56	7.19	-133.67
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300000378555	0	39	-2.0	-129.57	352.74	4.71	-124.86
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000378556	0	32	-2.0	-121.82	322.31	4.96	-116.86
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1	REAL300000378557	0	38	-2.0	-137.53	358.42	0.64	-136.89
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300000378558	0	42	-2.0	-130.89	372.22	5.76	-125.13
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000378560	0	36	-2.0	-129.70	338.61	5.66	-124.04
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300000378561	0	35	-2.0	-116.54	340.28	5.16	-111.38
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300000378563	0	28	-2.0	-116.38	298.73	2.77	-113.61
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CO1	REAL300000378564	0	32	-2.0	-127.38	299.38	3.01	-124.37
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000378565	0	42	-2.0	-129.03	381.48	6.25	-122.78
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=NN1	REAL300000378566	0	38	-2.0	-125.80	355.16	2.13	-123.67
COC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1OC	REAL300000378567	0	37	-2.0	-131.98	347.80	2.36	-129.62
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000378568	0	32	-3.0	-183.80	331.38	3.38	-180.42
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000378568	1	33	-2.0	-109.28	330.35	2.96	-106.32
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000378569	0	31	-2.0	-111.92	312.43	2.98	-108.94
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300000378570	0	36	-2.0	-127.39	340.29	3.98	-123.41
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000378571	0	38	-2.0	-125.86	339.22	4.28	-121.58
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000378572	0	39	-2.0	-137.19	348.52	6.11	-131.08
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300000378573	0	35	-2.0	-129.61	325.48	5.74	-123.87
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300000378574	0	29	-2.0	-116.71	319.88	4.44	-112.27
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000378575	0	32	-2.0	-122.43	314.68	2.39	-120.04
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300000378576	0	37	-2.0	-125.85	346.27	4.99	-120.86
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300000378577	0	43	-2.0	-131.62	385.23	7.25	-124.37
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000378578	0	38	-2.0	-143.31	332.63	6.17	-137.14
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000378579	0	30	-2.0	-130.13	298.95	2.79	-127.34
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300000378580	0	37	-2.0	-125.02	349.66	2.92	-122.10
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300000378581	0	33	-2.0	-129.20	336.30	3.14	-126.06
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)S1	REAL300000378582	0	41	-2.0	-131.05	376.72	3.40	-127.65
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)S1	REAL300000378582	1	40	-3.0	-193.23	373.42	2.27	-190.96
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300000378583	0	34	-2.0	-119.07	322.54	3.74	-115.33
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378584	0	43	-2.0	-133.48	378.47	5.96	-127.52
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C(C2CC2)=N1	REAL300000378585	0	42	-2.0	-129.54	371.59	5.13	-124.41
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300000378586	0	36	-2.0	-137.37	333.04	3.70	-133.67
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300000378587	0	38	-2.0	-127.64	357.44	7.12	-120.52
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)NC(=O)NC1=O	REAL300000378588	0	35	-2.0	-128.01	317.50	0.31	-127.70
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300000378590	0	45	-2.0	-124.44	381.48	5.55	-118.89
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000378591	0	29	-2.0	-124.65	293.57	2.84	-121.81
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000378592	0	29	-2.0	-122.39	303.61	3.86	-118.53
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378593	0	46	-2.0	-139.55	399.62	4.64	-134.91
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300000378594	0	38	-2.0	-133.37	353.65	7.19	-126.18
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000378595	0	40	-2.0	-121.53	347.08	2.10	-119.43
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000378596	0	39	-2.0	-135.43	338.35	6.52	-128.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C(C)=N1	REAL300000378600	0	38	-2.0	-121.39	337.64	1.79	-119.60
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CN=C1OC	REAL300000378601	0	38	-2.0	-133.71	342.21	2.15	-131.56
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300000378602	0	35	-2.0	-126.82	337.52	2.01	-124.81
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300000378603	0	38	-2.0	-122.52	342.11	1.76	-120.76
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000378604	0	41	-2.0	-125.83	362.19	4.44	-121.39
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300000378605	0	41	-2.0	-126.45	358.40	4.08	-122.37
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300000378606	0	31	-2.0	-123.87	322.45	2.28	-121.59
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000378607	0	30	-2.0	-127.08	297.76	2.76	-124.32
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000378608	0	30	-2.0	-134.55	306.85	3.68	-130.87
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000378609	0	38	-2.0	-121.48	336.52	3.62	-117.86
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C1C	REAL300000378610	0	40	-2.0	-119.54	361.60	3.72	-115.82
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000378611	0	41	-3.0	-192.35	369.38	6.79	-185.56
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000378611	1	42	-2.0	-105.59	369.51	6.76	-98.83
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300000378612	0	35	-2.0	-134.01	336.68	6.14	-127.87
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000378613	0	39	-2.0	-120.87	347.01	4.46	-116.41
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000378614	0	39	-2.0	-126.95	346.75	5.56	-121.39
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000378615	0	35	-2.0	-123.95	325.86	0.69	-123.26
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300000378616	0	41	-2.0	-127.92	359.28	4.10	-123.82
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300000378617	0	39	-2.0	-137.84	354.67	6.54	-131.30
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000378618	0	34	-2.0	-128.52	324.05	3.46	-125.06
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(S(=O)(=O)F)=CS1	REAL300000378619	0	32	-2.0	-125.96	334.20	0.47	-125.49
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CC(C(C)C)C1	REAL300000378620	1	44	-2.0	-128.76	364.77	6.02	-122.74
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300000378621	0	39	-2.0	-131.31	356.29	6.58	-124.73
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300000378622	0	36	-2.0	-130.55	345.25	4.80	-125.75
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000378623	0	41	-3.0	-195.26	367.35	6.78	-188.48
COC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000378623	1	42	-2.0	-122.21	367.43	6.74	-115.47
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000378624	0	33	-2.0	-130.01	305.82	1.48	-128.53
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378625	0	41	-2.0	-133.92	354.56	6.15	-127.77
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000378626	0	35	-2.0	-132.43	332.47	5.28	-127.15
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000378627	0	28	-2.0	-118.11	280.45	1.94	-116.17
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000378628	0	36	-2.0	-139.22	342.69	3.61	-135.61
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300000378629	0	39	-2.0	-136.13	350.63	6.64	-129.49
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl	REAL300000378630	0	35	-2.0	-127.36	341.85	5.95	-121.41
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300000378631	0	39	-2.0	-127.50	362.70	5.40	-122.10
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C(C(F)F)=C1	REAL300000378632	0	39	-2.0	-124.49	352.06	4.66	-119.83
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378633	0	37	-2.0	-137.24	335.59	3.93	-133.31
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC	REAL300000378634	0	38	-2.0	-147.26	347.47	5.86	-141.40
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300000378635	0	40	-2.0	-148.39	352.51	5.51	-142.88
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC)C=C(C(=O)[O-])O1	REAL300000378636	0	37	-3.0	-191.29	345.39	4.89	-186.40
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300000378637	0	45	-2.0	-141.37	384.25	6.34	-135.03
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300000378638	0	32	-2.0	-122.40	320.05	4.73	-117.67
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000378639	0	28	-2.0	-123.42	281.38	1.45	-121.97
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000378640	0	39	-2.0	-129.31	340.52	3.66	-125.65
COC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000378641	0	35	-2.0	-135.24	321.71	5.08	-130.16
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000378642	1	40	-2.0	-107.45	363.20	1.61	-105.84
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000378643	1	40	-2.0	-97.32	358.64	1.58	-95.74
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000378644	1	40	-2.0	-110.00	358.67	1.57	-108.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NCCC(N)=O	REAL300000378645	0	44	-2.0	-116.53	386.81	1.37	-115.16
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000378646	1	44	-2.0	-97.43	390.12	2.87	-94.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)C=C1C(=O)[O-]	REAL300000378647	1	43	-2.0	-111.09	374.69	2.11	-108.98
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000378648	0	40	-2.0	-106.56	371.74	2.16	-104.40
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000378649	1	40	-2.0	-105.78	371.17	1.98	-103.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)=C1C	REAL300000378650	1	46	-2.0	-113.98	391.77	2.90	-111.08
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000378651	0	40	-2.0	-108.22	364.14	1.64	-106.58
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000378652	1	46	-2.0	-96.99	402.23	3.15	-93.84
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000378653	0	37	-2.0	-104.25	351.85	0.59	-103.66
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NCCC(N)=O	REAL300000378654	1	43	-2.0	-112.14	374.10	2.35	-109.79
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000378655	1	44	-2.0	-96.00	389.73	1.86	-94.14
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)C=C1C(=O)[O-]	REAL300000378656	0	41	-2.0	-108.13	365.32	0.92	-107.21
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)=C1	REAL300000378658	0	40	-2.0	-100.20	367.80	1.25	-98.95
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)C=C1C(=O)[O-]	REAL300000378659	1	46	-2.0	-113.41	390.11	2.89	-110.52
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000378660	0	37	-2.0	-105.68	350.32	0.62	-105.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)C=C1C(=O)[O-]	REAL300000378661	1	44	-2.0	-115.68	385.95	1.64	-114.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NCCC(N)=O	REAL300000378662	1	46	-2.0	-110.65	386.99	3.33	-107.32
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)C=C(C(=O)[O-])O1	REAL300000378663	0	40	-2.0	-104.51	361.67	0.71	-103.80
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)=C1	REAL300000378664	0	44	-2.0	-110.07	387.65	0.67	-109.40
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NCCC(N)=O	REAL300000378665	1	43	-2.0	-102.42	379.39	2.39	-100.03
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)C=C(C(=O)[O-])S1	REAL300000378666	0	40	-2.0	-108.48	367.29	1.46	-107.02
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000378667	0	40	-2.0	-94.80	371.71	2.14	-92.66
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000378668	1	40	-2.0	-96.83	363.18	1.62	-95.21
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000378669	0	37	-2.0	-99.00	350.92	0.69	-98.31
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000378670	1	40	-2.0	-100.92	365.07	1.64	-99.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)=C1F	REAL300000378671	0	43	-2.0	-109.59	384.41	2.27	-107.32
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000378672	0	40	-2.0	-96.60	364.13	1.64	-94.96
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000378673	1	40	-2.0	-94.89	371.15	1.99	-92.90
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000378674	1	40	-2.0	-99.02	369.48	1.67	-97.35
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000378675	0	41	-2.0	-111.49	368.38	-0.72	-112.21
NC(=O)CCNC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000378675	1	41	-2.0	-106.79	362.82	0.09	-106.70
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000378676	1	43	-2.0	-101.86	380.84	2.35	-99.51
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NCCC(N)=O	REAL300000378677	1	43	-2.0	-104.78	368.70	2.20	-102.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)=CC(C(=O)[O-])=C1F	REAL300000378678	1	43	-2.0	-108.74	383.50	2.23	-106.51
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NCCC(N)=O	REAL300000378679	1	43	-2.0	-97.71	374.08	2.34	-95.37
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)=CC(C(=O)[O-])=C1C	REAL300000378680	1	46	-2.0	-113.00	391.54	2.63	-110.37
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000378681	0	40	-2.0	-99.58	370.40	1.70	-97.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)C(C)=C1C(=O)[O-]	REAL300000378682	1	46	-2.0	-108.97	392.20	2.99	-105.98
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)C=C1C(=O)[O-]	REAL300000378683	0	43	-2.0	-109.36	380.14	2.17	-107.19
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)=C1	REAL300000378684	0	43	-2.0	-113.17	383.70	2.26	-110.91
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)C=C1C(=O)[O-]	REAL300000378685	1	46	-2.0	-111.82	392.63	2.76	-109.06
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)C=C1C(=O)[O-]	REAL300000378686	0	44	-2.0	-109.34	386.69	1.78	-107.56
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)=CC=C1C(=O)[O-]	REAL300000378687	1	43	-2.0	-98.86	378.72	2.22	-96.64
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NCCC(N)=O	REAL300000378688	1	43	-2.0	-109.49	378.62	2.39	-107.10
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000378689	0	40	-2.0	-112.49	362.30	1.61	-110.88
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)C=C1C(=O)[O-]	REAL300000378690	1	43	-2.0	-101.63	379.83	2.15	-99.48
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000378691	0	39	-2.0	-107.66	354.87	-0.31	-107.97
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NCCC(N)=O	REAL300000378692	0	44	-2.0	-101.50	386.87	1.37	-100.13
NC(=O)CCNC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000378693	0	37	-2.0	-98.06	358.77	0.54	-97.52
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NCCC(N)=O)C=C(C(=O)[O-])O1	REAL300000378694	0	43	-2.0	-104.49	380.80	1.56	-102.93
CC1=CC=C(NS(C)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000378695	1	39	-2.0	-96.17	359.39	2.50	-93.67
CC1=CC=C(NS(C)(=O)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000378696	1	39	-2.0	-106.87	359.39	2.50	-104.37
CC1=CC=C(NS(C)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000378697	1	42	-2.0	-110.68	374.65	3.01	-107.67
CC1=CC=C(NS(C)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000378698	0	36	-2.0	-101.92	352.58	1.52	-100.40
CC1=CC=C(NS(C)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000378699	1	42	-2.0	-107.93	374.83	3.28	-104.65
CC1=CC=C(NS(C)(=O)=O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000378700	0	40	-2.0	-105.79	366.04	1.85	-103.94
CC1=CC=C(NS(C)(=O)=O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000378701	0	36	-2.0	-104.79	351.04	1.53	-103.26
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2NS(C)(=O)=O)C=C(C(=O)[O-])O1	REAL300000378702	0	39	-2.0	-101.96	362.40	1.65	-100.31
CC1=CC=C(NS(C)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000378703	0	36	-2.0	-98.08	351.66	1.62	-96.46
CC1=CC=C(NS(C)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000378704	1	42	-2.0	-99.37	381.58	3.28	-96.09
CC1=CC=C(NS(C)(=O)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000378705	1	42	-2.0	-105.04	369.41	3.15	-101.89
CC1=CC=C(NS(C)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000378706	1	42	-2.0	-96.32	374.81	3.27	-93.05
CC1=CC=C(NS(C)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000378707	1	42	-2.0	-96.00	375.20	3.05	-92.95
CC1=CC=C(NS(C)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000378708	0	38	-2.0	-106.31	355.60	0.62	-105.69
CC(=O)N1CCCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000378725	0	43	-2.0	-114.72	367.56	6.15	-108.57
CN(C)C(=O)CN(C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000378768	0	42	-2.0	-114.00	368.68	5.67	-108.33
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1Cl	REAL300000378800	1	31	-2.0	-103.99	305.82	6.22	-97.77
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1Cl	REAL300000378802	1	28	-2.0	-101.54	293.53	5.17	-96.37
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C)=C2Cl)=C1	REAL300000378807	1	31	-2.0	-97.58	309.46	5.84	-91.74
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1Cl	REAL300000378816	0	34	-2.0	-106.39	328.16	6.65	-99.74
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1Cl	REAL300000378834	1	28	-2.0	-96.40	292.61	5.29	-91.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2Cl)=C1F	REAL300000378836	1	34	-2.0	-105.51	326.09	6.85	-98.66
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1Cl	REAL300000378844	0	32	-2.0	-104.77	304.47	4.71	-100.06
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1Cl	REAL300000378852	1	31	-2.0	-95.85	312.08	6.29	-89.56
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2Cl)=C1	REAL300000378856	1	34	-2.0	-112.06	325.37	6.85	-105.21
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1Cl	REAL300000378864	1	31	-2.0	-94.61	325.95	6.72	-87.89
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1Cl	REAL300000378869	1	36	-2.0	-98.28	341.06	8.32	-89.96
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1Cl	REAL300000378871	1	33	-2.0	-114.10	324.07	8.02	-106.08
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1Cl	REAL300000378872	1	31	-2.0	-111.22	303.98	6.18	-105.04
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1Cl	REAL300000378875	0	30	-2.0	-104.79	296.55	4.27	-100.52
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1Cl	REAL300000378877	1	28	-2.0	-94.91	300.44	5.13	-89.78
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000378881	1	39	-2.0	-86.63	362.86	4.74	-81.89
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000378882	1	32	-2.0	-102.73	310.95	6.19	-96.54
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1C	REAL300000378883	0	40	-2.0	-104.48	366.02	7.24	-97.24
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000378884	0	32	-2.0	-101.06	322.82	6.87	-94.19
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000378885	1	32	-2.0	-93.00	306.38	6.17	-86.83
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000378886	1	32	-2.0	-105.23	306.41	6.16	-99.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1C	REAL300000378887	0	36	-2.0	-111.56	334.54	5.96	-105.60
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000378888	1	32	-2.0	-100.72	322.66	6.65	-94.07
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000378889	1	36	-2.0	-92.64	337.85	7.45	-85.19
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000378890	1	35	-2.0	-106.28	322.42	6.69	-99.59
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000378891	0	32	-2.0	-101.71	319.48	6.73	-94.98
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000378892	1	32	-2.0	-101.09	318.92	6.55	-94.54
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000378893	0	32	-2.0	-97.41	331.97	7.10	-90.31
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000378894	1	38	-2.0	-109.46	339.07	7.51	-101.95
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000378895	0	32	-2.0	-103.25	311.88	6.22	-97.03
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000378896	1	38	-2.0	-92.03	349.98	7.75	-84.28
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000378897	0	29	-2.0	-99.96	299.59	5.17	-94.79
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000378898	1	35	-2.0	-107.40	321.84	6.94	-100.46
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000378900	1	43	-2.0	-87.72	383.24	7.21	-80.51
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000378901	0	33	-2.0	-103.60	313.06	5.50	-98.10
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2C)=C1	REAL300000378903	0	32	-2.0	-95.92	315.51	5.84	-90.08
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000378905	0	29	-2.0	-101.18	298.06	5.19	-95.99
COC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000378906	1	40	-2.0	-105.68	364.72	5.97	-99.71
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000378908	1	42	-2.0	-111.13	361.64	8.79	-102.34
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000378909	1	41	-2.0	-109.39	360.31	8.18	-101.21
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1C	REAL300000378910	1	38	-2.0	-105.95	335.85	7.86	-98.09
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1C	REAL300000378911	0	39	-2.0	-110.78	356.81	6.73	-104.05
CC1=CC=C(C#N)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000378912	0	35	-2.0	-112.55	333.34	6.66	-105.89
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000378912	1	34	-3.0	-180.09	334.81	6.72	-173.37
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000378913	1	39	-2.0	-111.48	350.65	8.05	-103.43
CC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000378914	0	32	-2.0	-100.31	309.42	5.29	-95.02
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000378915	1	38	-2.0	-109.90	348.58	5.93	-103.97
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2C)=C1	REAL300000378916	0	36	-2.0	-104.71	335.32	5.26	-99.45
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000378917	1	40	-2.0	-91.77	359.33	6.75	-85.02
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000378918	1	32	-2.0	-94.97	334.08	7.01	-87.96
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000378919	0	32	-2.0	-98.52	323.99	6.75	-91.77
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000378920	1	36	-2.0	-89.84	353.51	6.97	-82.87
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000378922	1	42	-2.0	-90.68	386.15	7.41	-83.27
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000378923	1	35	-2.0	-97.90	327.11	6.97	-90.93
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000378925	1	36	-2.0	-90.90	343.71	6.51	-84.39
CC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000378927	0	32	-2.0	-103.77	315.03	6.05	-97.72
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000378928	0	32	-2.0	-95.43	334.63	7.18	-88.25
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000378929	0	32	-2.0	-90.46	319.45	6.72	-83.74
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000378930	0	32	-2.0	-89.99	322.80	6.87	-83.12
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000378931	1	32	-2.0	-92.57	310.93	6.20	-86.37
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000378932	0	29	-2.0	-94.89	298.66	5.28	-89.61
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000378933	1	32	-2.0	-96.16	312.82	6.22	-89.94
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000378934	0	35	-2.0	-104.66	332.15	6.85	-97.81
COC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000378935	0	36	-2.0	-95.14	346.74	6.77	-88.37
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000378936	0	32	-2.0	-92.17	311.86	6.23	-85.94
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000378937	1	32	-2.0	-90.59	318.90	6.55	-84.04
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000378938	1	35	-2.0	-99.61	335.85	7.37	-92.24
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000378939	1	40	-2.0	-89.46	370.14	7.57	-81.89
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000378940	1	32	-2.0	-90.13	322.64	6.65	-83.48
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000378941	1	32	-2.0	-94.45	317.23	6.25	-88.20
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000378942	0	34	-2.0	-90.46	334.60	6.83	-83.63
CC1=CC=C(C#N)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000378943	0	33	-2.0	-108.93	313.54	4.67	-104.26
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000378943	1	33	-2.0	-106.58	316.12	3.87	-102.71
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000378944	1	35	-2.0	-97.13	328.58	6.94	-90.19
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000378945	1	32	-2.0	-95.85	327.11	6.69	-89.16
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000378946	1	35	-2.0	-100.36	316.44	6.80	-93.56
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000378947	1	35	-2.0	-104.07	331.24	6.81	-97.26
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000378949	1	38	-2.0	-108.17	339.87	7.24	-100.93
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000378950	0	34	-2.0	-103.67	332.98	7.25	-96.42
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000378951	0	32	-2.0	-94.78	318.14	6.28	-88.50
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000378953	0	35	-2.0	-105.59	331.72	6.85	-98.74
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000378954	0	35	-2.0	-103.44	338.19	7.29	-96.15
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2C)=C1	REAL300000378955	0	35	-2.0	-108.73	331.44	6.85	-101.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2C)C=C1C(=O)[O-]	REAL300000378956	1	38	-2.0	-106.99	340.71	7.35	-99.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2C)C=C1CC(=O)[O-]	REAL300000378957	1	39	-2.0	-107.69	356.88	6.29	-101.40
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000378958	1	35	-2.0	-94.11	332.67	7.34	-86.77
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000378959	1	35	-2.0	-89.63	336.52	6.97	-82.66
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000378960	1	35	-2.0	-102.81	337.63	7.12	-95.69
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000378961	1	32	-2.0	-98.00	327.71	6.77	-91.23
CCN1C=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2C)C=C1C(=O)[O-]	REAL300000378962	0	36	-2.0	-104.77	334.35	6.36	-98.41
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000378964	0	32	-2.0	-93.64	332.01	6.71	-86.93
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000378965	1	35	-2.0	-98.62	336.27	7.12	-91.50
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000378966	0	41	-2.0	-103.11	355.84	8.29	-94.82
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2C)C=C1C(=O)[O-]	REAL300000378967	0	36	-2.0	-107.33	346.73	6.79	-100.54
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000378968	1	35	-2.0	-93.15	322.41	6.70	-86.45
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000378969	0	37	-2.0	-97.38	349.66	8.34	-89.04
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000378970	1	35	-2.0	-105.09	325.94	7.00	-98.09
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000378971	0	34	-2.0	-110.89	330.13	8.02	-102.87
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000378972	0	32	-2.0	-107.92	310.06	6.19	-101.73
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000378973	1	35	-2.0	-96.96	327.57	6.73	-90.23
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000378974	1	38	-2.0	-113.27	347.45	8.28	-104.99
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000378975	0	31	-2.0	-103.82	303.38	4.22	-99.60
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1C	REAL300000378976	0	36	-2.0	-97.19	334.63	5.96	-91.23
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000378977	0	29	-2.0	-93.96	306.51	5.13	-88.83
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000378978	1	39	-2.0	-99.91	352.53	8.04	-91.87
CC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000378979	1	39	-2.0	-100.91	350.49	8.03	-92.88
CCC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000378980	0	35	-2.0	-100.30	328.53	6.15	-94.15
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000378989	1	32	-2.0	-91.35	326.75	6.22	-85.13
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C(F)(F)F	REAL300000378990	1	32	-2.0	-82.39	322.19	6.20	-76.19
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000378991	1	32	-2.0	-93.04	322.22	6.19	-86.85
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C(F)(F)F	REAL300000378992	1	36	-2.0	-82.28	353.67	7.48	-74.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000378993	1	35	-2.0	-95.03	343.35	6.12	-88.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C(C(F)(F)F)=C2)=C1C	REAL300000378994	1	38	-2.0	-95.99	354.90	7.54	-88.45
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(F)(F)F	REAL300000378995	0	32	-2.0	-89.83	327.70	6.25	-83.58
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C(F)(F)F	REAL300000378996	1	38	-2.0	-81.05	365.78	7.78	-73.27
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(F)(F)F	REAL300000378997	0	29	-2.0	-87.85	315.40	5.21	-82.64
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300000378998	1	35	-2.0	-94.08	337.65	6.97	-87.11
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C#N)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000378999	0	33	-2.0	-91.76	328.87	5.54	-86.22
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C#N)C(C(F)(F)F)=C2)=C1	REAL300000379000	0	32	-2.0	-84.60	331.34	5.87	-78.73
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C#N)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000379001	1	38	-2.0	-94.99	353.68	7.52	-87.47
N#CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000379002	0	29	-2.0	-89.28	313.87	5.23	-84.05
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300000379003	1	38	-2.0	-92.88	352.37	7.92	-84.96
CC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)C(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000379004	0	32	-2.0	-88.24	325.23	5.33	-82.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)C(C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000379005	0	32	-2.0	-91.05	330.82	6.09	-84.96
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(F)(F)F	REAL300000379006	1	32	-2.0	-82.39	326.74	6.23	-76.16
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(F)(F)F	REAL300000379007	0	29	-2.0	-83.47	314.49	5.32	-78.15
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000379008	1	32	-2.0	-84.66	328.62	6.26	-78.40
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(F)(F)F	REAL300000379009	0	32	-2.0	-81.35	327.68	6.26	-75.09
N#CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C(F)(F)F	REAL300000379010	0	33	-2.0	-98.00	331.14	4.73	-93.27
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C(F)(F)F	REAL300000379010	1	33	-2.0	-92.99	331.93	3.90	-89.09
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(F)(F)F	REAL300000379011	1	35	-2.0	-84.87	344.38	6.97	-77.90
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300000379012	1	35	-2.0	-89.75	332.28	6.83	-82.92
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300000379013	1	35	-2.0	-82.83	337.63	6.96	-75.87
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000379014	1	38	-2.0	-96.95	359.03	7.36	-89.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C(C(F)(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000379015	1	38	-2.0	-96.63	365.84	6.48	-90.15
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000379016	1	38	-2.0	-94.43	356.46	7.38	-87.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C#N)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000379017	0	36	-2.0	-92.91	350.23	6.41	-86.50
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000379018	1	35	-2.0	-82.27	338.22	6.73	-75.54
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(F)(F)F	REAL300000379019	0	32	-2.0	-96.94	325.84	6.21	-90.73
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(F)(F)F	REAL300000379020	0	31	-2.0	-90.43	318.45	4.32	-86.11
N#CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000379021	0	29	-2.0	-82.26	322.37	5.17	-77.09
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)C(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000379022	0	35	-2.0	-88.15	344.35	6.18	-81.97
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CC=C1N1CCOC1=O	REAL300000379023	1	40	-2.0	-109.99	363.81	6.73	-103.26
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1N1CCOC1=O	REAL300000379024	1	40	-2.0	-102.24	358.71	6.74	-95.50
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1N1CCOC1=O	REAL300000379025	1	40	-2.0	-112.56	359.28	6.70	-105.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2C)C=C1C(=O)[O-]	REAL300000379026	1	43	-2.0	-117.24	375.28	7.24	-110.00
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CC=C1N1CCOC1=O	REAL300000379027	0	40	-2.0	-110.33	364.77	6.76	-103.57
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC=C1N1CCOC1=O	REAL300000379028	0	37	-2.0	-107.76	351.85	5.75	-102.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCOC2=O)=C1C	REAL300000379029	1	43	-2.0	-113.24	374.71	7.48	-105.76
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC=C1N1CCOC1=O	REAL300000379030	0	41	-2.0	-111.73	365.32	6.08	-105.65
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2C)=C1	REAL300000379031	0	40	-2.0	-105.76	367.83	6.42	-99.34
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1N1CCOC1=O	REAL300000379032	0	37	-2.0	-108.66	350.92	5.73	-102.93
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2C)C=C(C(=O)[O-])O1	REAL300000379033	0	40	-2.0	-107.24	361.73	5.88	-101.36
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2C)C=C(C(=O)[O-])S1	REAL300000379034	1	40	-2.0	-110.20	368.36	6.62	-103.58
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC=C1N1CCOC1=O	REAL300000379035	1	40	-2.0	-101.80	363.79	6.74	-95.06
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC=C1N1CCOC1=O	REAL300000379036	0	37	-2.0	-104.20	351.54	5.83	-98.37
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC=C1N1CCOC1=O	REAL300000379037	1	40	-2.0	-106.62	365.68	6.77	-99.85
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC=C1N1CCOC1=O	REAL300000379038	0	40	-2.0	-101.75	364.76	6.77	-94.98
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CC=C1N1CCOC1=O	REAL300000379039	0	41	-2.0	-112.40	369.00	4.40	-108.00
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC=C1N1CCOC1=O	REAL300000379039	1	41	-2.0	-108.31	365.81	5.29	-103.02
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CC=C1N1CCOC1=O	REAL300000379040	1	43	-2.0	-106.54	380.90	7.51	-99.03
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=CC=C1N1CCOC1=O	REAL300000379041	1	43	-2.0	-112.38	368.71	7.36	-105.02
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2C)C=C1C(=O)[O-]	REAL300000379043	0	44	-2.0	-112.97	386.62	6.94	-106.03
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2C)=CC=C1C(=O)[O-]	REAL300000379044	1	43	-2.0	-101.95	375.28	7.25	-94.70
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CC=C1N1CCOC1=O	REAL300000379045	0	40	-2.0	-120.53	362.93	6.73	-113.80
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1N1CCOC1=O	REAL300000379046	0	39	-2.0	-111.23	355.65	4.80	-106.43
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOC3=O)=C2C)C=C(C(=O)[O-])O1	REAL300000379047	0	43	-2.0	-106.83	380.83	6.73	-100.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)=CC=C1F	REAL300000379048	1	38	-2.0	-111.49	356.84	5.41	-106.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C=C1	REAL300000379049	1	38	-2.0	-101.35	352.28	5.39	-95.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)=C1	REAL300000379050	1	38	-2.0	-114.13	352.31	5.38	-108.75
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C=C1	REAL300000379051	1	42	-2.0	-100.82	383.76	6.68	-94.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000379052	1	41	-2.0	-116.77	372.30	6.04	-110.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)=C1C	REAL300000379053	1	44	-2.0	-116.10	384.70	6.69	-109.41
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)=C1	REAL300000379054	0	38	-2.0	-111.06	357.78	5.45	-105.61
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C=C1	REAL300000379055	1	44	-2.0	-100.06	395.87	6.97	-93.09
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)=C1	REAL300000379056	0	35	-2.0	-108.28	345.49	4.40	-103.88
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2=CC=CC=N2)=C1	REAL300000379057	1	41	-2.0	-114.25	367.74	6.17	-108.08
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000379058	0	39	-2.0	-112.21	358.76	4.75	-107.46
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)=C1	REAL300000379059	0	38	-2.0	-104.35	361.43	5.07	-99.28
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000379060	1	44	-2.0	-115.46	383.95	6.68	-108.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)=CS1	REAL300000379061	0	35	-2.0	-109.78	343.96	4.41	-105.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2=CC=CC=N2)=C1	REAL300000379062	1	44	-2.0	-112.18	382.45	7.11	-105.07
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000379063	0	38	-2.0	-107.11	355.32	4.52	-102.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C=C(C(=O)[O-])S1	REAL300000379064	0	38	-2.0	-110.56	360.90	5.27	-105.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C=C1F	REAL300000379065	1	38	-2.0	-100.75	356.82	5.42	-95.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)S1	REAL300000379066	0	35	-2.0	-103.06	344.58	4.51	-98.55
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)=C1	REAL300000379067	1	38	-2.0	-104.89	358.71	5.45	-99.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C(F)=C1	REAL300000379068	0	38	-2.0	-101.07	357.77	5.45	-95.62
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)=C1	REAL300000379069	0	39	-2.0	-112.71	362.02	3.10	-109.61
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(OC3=CC=CC=N3)=C2)=C1	REAL300000379069	1	39	-2.0	-111.38	360.93	3.97	-107.41
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C=C1	REAL300000379070	1	41	-2.0	-104.69	374.47	6.17	-98.52
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2=CC=CC=N2)=C1	REAL300000379071	1	41	-2.0	-110.91	362.38	6.02	-104.89
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2=CC=CC=N2)=C1	REAL300000379072	1	41	-2.0	-101.34	367.72	6.15	-95.19
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)=CC(C(=O)[O-])=C1C	REAL300000379073	1	44	-2.0	-118.89	389.23	6.56	-112.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C(C)=C1C(=O)[O-]	REAL300000379074	1	44	-2.0	-115.05	387.06	6.75	-108.30
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000379075	1	44	-2.0	-116.13	386.66	6.60	-109.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000379076	0	42	-2.0	-113.80	380.34	5.59	-108.21
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)=CC=C1C(=O)[O-]	REAL300000379077	1	41	-2.0	-101.49	368.49	5.91	-95.58
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)=C1F	REAL300000379078	0	38	-2.0	-119.26	355.92	5.41	-113.85
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)=C1	REAL300000379079	0	37	-2.0	-111.95	348.53	3.51	-108.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)=C(Cl)O1	REAL300000379080	0	35	-2.0	-101.26	352.46	4.36	-96.90
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000379081	0	41	-2.0	-106.78	374.44	5.37	-101.41
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300000379082	1	45	-2.0	-89.98	399.05	4.28	-85.70
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000379083	1	38	-2.0	-105.97	347.13	5.72	-100.25
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1	REAL300000379084	0	46	-2.0	-107.30	402.21	6.79	-100.51
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000379086	1	38	-2.0	-108.65	342.61	5.69	-102.96
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000379087	0	42	-2.0	-114.36	370.73	5.50	-108.86
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000379088	1	42	-2.0	-96.00	374.04	7.00	-89.00
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000379090	0	38	-2.0	-104.35	355.66	6.28	-98.07
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000379091	1	38	-2.0	-104.36	355.10	6.09	-98.27
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000379092	1	44	-2.0	-111.52	374.99	7.01	-104.51
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000379093	0	38	-2.0	-106.10	348.07	5.77	-100.33
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000379094	1	44	-2.0	-95.22	386.16	7.28	-87.94
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000379095	0	35	-2.0	-102.88	335.77	4.72	-98.16
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000379096	1	41	-2.0	-109.65	358.02	6.49	-103.16
CCOCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000379098	1	39	-2.0	-107.00	349.24	5.06	-101.94
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000379100	0	38	-2.0	-99.36	351.70	5.38	-93.98
CCOCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000379102	0	35	-2.0	-104.26	334.25	4.74	-99.52
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300000379103	1	46	-2.0	-109.54	400.88	5.51	-104.03
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1	REAL300000379105	1	48	-2.0	-113.60	397.82	8.33	-105.27
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000379106	1	47	-2.0	-111.93	396.49	7.70	-104.23
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1	REAL300000379107	1	44	-2.0	-108.10	372.73	7.42	-100.68
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000379108	0	45	-2.0	-114.76	393.02	6.27	-108.49
CCOCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000379109	0	41	-2.0	-112.43	373.70	6.22	-106.21
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000379109	1	40	-3.0	-184.21	371.00	6.27	-177.94
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000379110	1	45	-2.0	-114.62	386.84	7.60	-107.02
CCOCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000379111	0	38	-2.0	-102.45	345.63	4.84	-97.61
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000379112	1	44	-2.0	-113.35	384.76	5.48	-107.87
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000379113	0	42	-2.0	-110.34	371.56	4.79	-105.55
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000379115	0	38	-2.0	-100.86	360.19	6.29	-94.57
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1	REAL300000379116	1	42	-2.0	-93.01	389.69	6.52	-86.49
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000379118	1	41	-2.0	-100.14	363.31	6.52	-93.62
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000379119	1	42	-2.0	-93.95	379.89	6.04	-87.91
CCOCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000379121	1	38	-2.0	-106.01	351.19	5.59	-100.42
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000379122	0	38	-2.0	-93.83	355.64	6.26	-87.57
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000379123	1	38	-2.0	-95.70	347.13	5.74	-89.96
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000379124	0	35	-2.0	-98.06	334.85	4.82	-93.24
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000379125	1	38	-2.0	-99.45	349.00	5.77	-93.68
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000379126	0	41	-2.0	-107.53	368.35	6.41	-101.12
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000379127	0	42	-2.0	-98.43	382.91	6.32	-92.11
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000379128	0	38	-2.0	-95.76	348.05	5.78	-89.98
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000379129	1	38	-2.0	-93.79	355.10	6.11	-87.68
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000379130	1	41	-2.0	-101.81	372.04	6.91	-94.90
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1	REAL300000379131	1	46	-2.0	-92.77	406.34	7.12	-85.65
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000379132	1	38	-2.0	-98.07	353.43	5.80	-92.27
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000379133	1	40	-2.0	-93.94	370.79	6.37	-87.57
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000379134	0	39	-2.0	-108.65	352.31	3.42	-105.23
CCOCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000379134	1	39	-2.0	-105.08	351.50	4.20	-100.88
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000379135	1	41	-2.0	-99.99	364.76	6.48	-93.51
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000379136	1	38	-2.0	-99.55	363.31	6.24	-93.31
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000379137	1	41	-2.0	-106.41	356.41	6.44	-99.97
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000379138	1	41	-2.0	-108.14	367.43	6.36	-101.78
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000379141	0	40	-2.0	-107.37	369.17	6.79	-100.58
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000379142	0	38	-2.0	-97.67	354.35	5.83	-91.84
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000379144	0	41	-2.0	-107.21	364.07	6.30	-100.91
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000379145	0	41	-2.0	-106.09	374.36	6.84	-99.25
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000379146	0	41	-2.0	-114.18	367.61	6.40	-107.78
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000379149	1	41	-2.0	-98.35	369.38	6.85	-91.50
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000379150	1	41	-2.0	-106.95	373.81	6.66	-100.29
CCOCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000379151	1	42	-2.0	-108.27	370.62	5.93	-102.34
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000379153	1	41	-2.0	-103.68	376.38	6.76	-96.92
CCOCC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1	REAL300000379154	0	47	-2.0	-105.56	392.06	7.84	-97.72
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1	REAL300000379155	0	42	-2.0	-109.85	382.92	6.33	-103.52
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300000379157	0	43	-2.0	-100.91	383.31	7.86	-93.05
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000379159	0	40	-2.0	-116.69	366.35	7.56	-109.13
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000379160	0	38	-2.0	-113.49	346.25	5.73	-107.76
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000379161	1	41	-2.0	-101.88	367.56	6.37	-95.51
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000379162	1	44	-2.0	-116.86	383.64	7.83	-109.03
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000379163	0	37	-2.0	-106.42	338.81	3.82	-102.60
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000379164	0	42	-2.0	-100.55	370.80	5.50	-95.05
CCOCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000379165	0	35	-2.0	-96.33	342.74	4.68	-91.65
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000379166	1	45	-2.0	-102.03	386.57	7.52	-94.51
CCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000379167	1	45	-2.0	-105.78	388.04	7.59	-98.19
CCOCC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000379168	0	41	-2.0	-102.37	364.72	5.69	-96.68
CC1=C(CSC(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000379171	1	44	-2.0	-110.39	387.12	9.05	-101.34
CC1=C(CSC(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000379173	0	44	-2.0	-107.59	392.52	9.10	-98.49
CC1=C(CSC(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000379174	0	41	-2.0	-104.32	380.29	8.06	-96.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CSC(C)C)=C1C	REAL300000379175	1	47	-2.0	-111.38	402.54	9.84	-101.54
CC1=C(CSC(C)C)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000379176	1	45	-2.0	-108.46	393.75	8.39	-100.07
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2C)=C1	REAL300000379177	0	44	-2.0	-100.20	396.16	8.73	-91.47
CC1=C(CSC(C)C)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000379178	0	41	-2.0	-105.74	378.77	8.08	-97.66
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2C)C=C(C(=O)[O-])O1	REAL300000379179	0	44	-2.0	-102.97	390.12	8.19	-94.78
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2C)C=C(C(=O)[O-])S1	REAL300000379180	1	44	-2.0	-107.39	396.80	8.94	-98.45
CC1=C(CSC(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000379181	1	44	-2.0	-96.48	391.56	9.08	-87.40
CC1=C(CSC(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000379182	0	41	-2.0	-98.92	379.29	8.17	-90.75
CC1=C(CSC(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000379183	1	44	-2.0	-99.99	393.52	9.11	-90.88
CC1=C(CSC(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000379184	0	44	-2.0	-96.33	392.52	9.12	-87.21
CC1=C(CSC(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000379185	0	45	-2.0	-110.22	396.76	6.76	-103.46
CC1=C(CSC(C)C)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000379185	1	45	-2.0	-104.73	390.79	7.60	-97.13
CC1=C(CSC(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000379186	1	47	-2.0	-101.19	409.23	9.82	-91.37
CC1=C(CSC(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000379187	1	47	-2.0	-105.13	397.14	9.69	-95.44
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2C)C=C1C(=O)[O-]	REAL300000379189	1	48	-2.0	-109.80	415.05	9.25	-100.55
CC1=C(CSC(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000379191	0	44	-2.0	-113.16	390.68	9.07	-104.09
CC1=C(CSC(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000379192	0	43	-2.0	-107.30	384.09	7.12	-100.18
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CSC(C)C)=C2C)C=C(C(=O)[O-])O1	REAL300000379193	0	47	-2.0	-102.80	409.17	9.03	-93.77
CC1=CC=NC(OC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C2C)=C1	REAL300000379194	1	44	-2.0	-101.12	394.10	6.67	-94.45
CC1=CC=NC(OC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2C)=C1	REAL300000379195	1	44	-2.0	-114.38	394.13	6.66	-107.72
CC1=CC=NC(OC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2C)=C1	REAL300000379196	0	43	-2.0	-110.54	390.82	4.69	-105.85
COC1=CC=C2OC(C)CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000379230	0	41	-2.0	-116.93	351.14	4.23	-112.70
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1	REAL300000379250	0	42	-2.0	-90.42	380.98	3.73	-86.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC=C1F	REAL300000379251	0	35	-2.0	-106.61	329.05	5.17	-101.44
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CC2)N=C1	REAL300000379252	0	43	-2.0	-108.00	384.13	6.24	-101.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1	REAL300000379253	0	35	-2.0	-96.65	324.51	5.15	-91.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379254	0	35	-2.0	-108.88	324.52	5.14	-103.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CC2)N=C1	REAL300000379255	0	39	-2.0	-114.88	352.66	4.96	-109.92
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1	REAL300000379256	0	39	-2.0	-96.36	355.97	6.45	-89.91
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000379257	0	38	-2.0	-110.23	340.53	5.68	-104.55
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379258	0	35	-2.0	-105.11	337.59	5.72	-99.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC=C1Cl	REAL300000379259	0	35	-2.0	-104.99	337.02	5.54	-99.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C(Cl)C=C1Cl	REAL300000379260	0	35	-2.0	-100.68	350.08	6.09	-94.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1C	REAL300000379261	0	41	-2.0	-112.40	356.92	6.46	-105.94
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379262	0	35	-2.0	-106.44	329.99	5.21	-101.23
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1	REAL300000379263	0	41	-2.0	-95.74	368.09	6.73	-89.01
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379264	0	32	-2.0	-103.25	317.70	4.18	-99.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CC2)N=C1	REAL300000379265	0	38	-2.0	-110.49	339.94	5.94	-104.55
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1	REAL300000379266	0	39	-2.0	-95.03	355.59	5.43	-89.60
CN1C=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000379267	0	36	-2.0	-107.34	331.15	4.51	-102.83
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CC2)N=C1	REAL300000379268	0	39	-2.0	-110.90	348.72	3.96	-106.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379269	0	35	-2.0	-99.39	333.64	4.83	-94.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000379270	0	41	-2.0	-111.66	355.97	6.46	-105.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CS1	REAL300000379271	0	32	-2.0	-104.76	316.16	4.19	-100.57
COC1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000379272	0	43	-2.0	-109.42	382.83	4.96	-104.46
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000379273	0	39	-2.0	-114.96	351.79	5.22	-109.74
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379274	0	45	-2.0	-114.36	379.78	7.78	-106.58
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CC2)N=C1	REAL300000379275	0	44	-2.0	-112.61	378.42	7.15	-105.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CC2)N=C1	REAL300000379276	0	41	-2.0	-109.02	354.66	6.86	-102.16
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CC2)N=C1	REAL300000379277	0	42	-2.0	-114.76	374.95	5.72	-109.04
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379278	0	37	-3.0	-183.04	352.92	5.73	-177.31
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379279	0	42	-2.0	-114.66	368.76	7.05	-107.61
CC1=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C(C(=O)[O-])O1	REAL300000379280	0	35	-2.0	-103.31	327.53	4.30	-99.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC2=C1OCCO2	REAL300000379281	0	41	-2.0	-113.69	366.68	4.94	-108.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379282	0	39	-2.0	-109.97	353.51	4.24	-105.73
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN(CC4CC4)N=C3)C=C2C1	REAL300000379283	0	43	-2.0	-95.68	377.43	5.75	-89.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC(Cl)=C1Cl	REAL300000379284	0	35	-2.0	-98.69	352.19	6.00	-92.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C(Cl)C=C1F	REAL300000379285	0	35	-2.0	-101.85	342.10	5.74	-96.11
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1Cl	REAL300000379286	0	39	-2.0	-93.53	371.61	5.97	-87.56
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC=C1OCC(=O)[O-]	REAL300000379287	0	42	-2.0	-95.49	375.66	6.14	-89.35
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1F	REAL300000379288	0	45	-2.0	-94.39	404.25	6.40	-87.99
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CC2)N=C1	REAL300000379289	0	38	-2.0	-101.04	345.23	5.97	-95.07
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000379290	0	48	-2.0	-95.66	418.10	7.07	-88.59
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1F	REAL300000379291	0	39	-2.0	-94.50	361.81	5.49	-89.01
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000379292	0	42	-2.0	-115.44	373.65	6.14	-109.30
CC1=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C(C(=O)[O-])S1	REAL300000379293	0	35	-2.0	-106.83	333.11	5.05	-101.78
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379294	0	35	-2.0	-98.81	352.74	6.17	-92.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C(Cl)=C1	REAL300000379295	0	35	-2.0	-94.25	337.57	5.72	-88.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1F	REAL300000379296	0	35	-2.0	-96.17	329.03	5.19	-90.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)S1	REAL300000379297	0	32	-2.0	-98.22	316.79	4.27	-93.95
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379298	0	35	-2.0	-99.78	330.92	5.21	-94.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1F	REAL300000379299	0	38	-2.0	-107.96	350.28	5.85	-102.11
COC1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000379300	0	39	-2.0	-98.88	364.82	5.78	-93.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C(F)=C1	REAL300000379301	0	35	-2.0	-95.87	329.98	5.23	-90.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1Cl	REAL300000379302	0	35	-2.0	-94.22	337.00	5.56	-88.66
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CC2)N=C1	REAL300000379303	0	38	-2.0	-102.72	353.96	6.36	-96.36
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1	REAL300000379304	0	43	-2.0	-93.18	388.27	6.56	-86.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC(F)=C1F	REAL300000379305	0	35	-2.0	-98.18	335.33	5.25	-92.93
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379306	0	37	-2.0	-94.05	352.70	5.81	-88.24
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379307	0	36	-2.0	-109.64	334.23	2.87	-106.77
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1	REAL300000379308	0	38	-2.0	-100.51	346.69	5.93	-94.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC(Cl)=C1F	REAL300000379309	0	35	-2.0	-99.65	345.22	5.69	-93.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC2CC2)N=C1	REAL300000379310	0	38	-2.0	-104.77	334.58	5.77	-99.00
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000379311	0	38	-2.0	-107.80	349.35	5.80	-102.00
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2CC2)N=C1	REAL300000379312	0	38	-2.0	-97.02	339.93	5.93	-91.09
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000379313	0	41	-2.0	-113.45	361.31	6.31	-107.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC=C1[N+](=O)[O-]	REAL300000379314	0	37	-2.0	-107.37	351.07	6.23	-101.14
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379315	0	35	-2.0	-98.04	336.28	5.27	-92.77
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000379316	0	41	-2.0	-108.93	358.99	6.52	-102.41
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000379317	0	38	-2.0	-107.55	345.99	5.75	-101.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1Cl	REAL300000379318	0	38	-2.0	-106.83	356.28	6.29	-100.54
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379319	0	38	-2.0	-113.18	349.56	5.84	-107.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000379320	0	41	-2.0	-111.04	358.48	6.33	-104.71
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1CC(=O)[O-]	REAL300000379321	0	42	-2.0	-111.24	374.98	5.28	-105.96
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(CC2CC2)N=C1	REAL300000379322	0	38	-2.0	-99.05	355.06	6.40	-92.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1C(F)(F)F	REAL300000379323	0	38	-2.0	-93.25	354.63	5.96	-87.29
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000379324	0	38	-2.0	-106.56	355.73	6.10	-100.46
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000379325	0	39	-2.0	-108.62	352.54	5.38	-103.24
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C(C)=C1CC(=O)[O-]	REAL300000379326	0	47	-2.0	-108.60	389.43	8.00	-100.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C(F)C(Cl)=C1F	REAL300000379327	0	35	-2.0	-96.83	350.10	5.71	-91.12
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000379328	0	38	-2.0	-103.56	358.25	6.22	-97.34
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C(C(=O)[O-])S1	REAL300000379329	0	44	-2.0	-106.59	373.99	7.28	-99.31
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000379330	0	39	-2.0	-110.73	364.84	5.79	-104.94
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC=C1C(=O)[O-]	REAL300000379331	0	38	-2.0	-96.79	340.52	5.70	-91.09
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C([N+](=O)[O-])=C1	REAL300000379332	0	40	-2.0	-101.07	367.78	7.34	-93.73
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CC2)N=C1	REAL300000379333	0	38	-2.0	-107.97	344.47	5.96	-102.01
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1[N+](=O)[O-]	REAL300000379334	0	37	-2.0	-115.43	348.25	7.01	-108.42
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1F	REAL300000379335	0	35	-2.0	-112.44	328.18	5.18	-107.26
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C1C(=O)[O-]	REAL300000379336	0	38	-2.0	-101.67	349.45	5.83	-95.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=CC2=CC=CC=C21	REAL300000379337	0	41	-2.0	-117.20	365.55	7.28	-109.92
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C1	REAL300000379338	0	34	-2.0	-106.48	320.75	3.28	-103.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2CC2)N=C1	REAL300000379339	0	39	-2.0	-100.94	352.72	4.95	-95.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)=C(Cl)O1	REAL300000379340	0	32	-2.0	-97.01	324.67	4.12	-92.89
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(CC4CC4)N=C3)C=C2)CC1	REAL300000379341	0	42	-2.0	-103.42	370.64	7.03	-96.39
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(CC4CC4)N=C3)C=C2C1	REAL300000379342	0	42	-2.0	-105.84	369.95	7.03	-98.81
CCC1=C(S(=O)(=O)[N-]C2=CN(CC3CC3)N=C2)C=C(C(=O)[O-])O1	REAL300000379343	0	38	-2.0	-103.36	346.65	5.15	-98.21
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000379344	1	47	-2.0	-90.35	406.57	6.54	-83.81
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000379346	0	48	-2.0	-108.45	409.72	9.04	-99.41
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000379348	1	40	-2.0	-110.38	350.11	7.95	-102.43
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000379349	0	44	-2.0	-116.21	378.24	7.75	-108.46
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000379350	1	44	-2.0	-96.59	381.56	9.25	-87.34
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000379352	0	40	-2.0	-105.83	363.17	8.53	-97.30
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000379353	1	40	-2.0	-106.21	362.62	8.35	-97.86
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000379354	1	46	-2.0	-113.58	382.78	9.31	-104.27
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000379355	0	40	-2.0	-108.01	355.58	8.02	-99.99
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000379356	1	46	-2.0	-96.03	393.68	9.54	-86.49
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000379357	0	37	-2.0	-104.40	343.30	6.97	-97.43
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000379358	1	43	-2.0	-111.26	365.54	8.73	-102.53
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000379360	1	41	-2.0	-108.52	356.76	7.31	-101.21
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000379362	0	40	-2.0	-100.58	359.24	7.64	-92.94
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000379364	0	37	-2.0	-105.97	341.76	6.99	-98.98
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000379365	1	48	-2.0	-110.74	408.44	7.76	-102.98
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000379367	1	50	-2.0	-115.60	405.34	10.58	-105.02
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000379368	1	49	-2.0	-113.38	402.21	9.89	-103.49
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000379369	1	46	-2.0	-109.01	370.62	9.36	-99.65
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000379370	0	47	-2.0	-116.51	400.53	8.52	-107.99
CCC1=CC=C(CC)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000379371	0	43	-2.0	-109.76	377.05	8.45	-101.31
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000379371	1	42	-3.0	-187.43	378.52	8.52	-178.91
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000379372	1	47	-2.0	-115.86	394.34	9.85	-106.01
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000379373	0	40	-2.0	-104.03	353.12	7.09	-96.94
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000379374	1	46	-2.0	-115.34	392.28	7.73	-107.61
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000379375	0	44	-2.0	-110.87	379.03	7.04	-103.83
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000379377	0	40	-2.0	-102.21	367.70	8.54	-93.67
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000379378	1	44	-2.0	-93.60	397.22	8.78	-84.82
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000379380	1	43	-2.0	-101.56	370.82	8.77	-92.79
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000379381	1	44	-2.0	-94.52	387.41	8.30	-86.22
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000379383	1	40	-2.0	-107.39	359.80	7.84	-99.55
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000379384	0	40	-2.0	-94.49	363.15	8.51	-85.98
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000379385	1	40	-2.0	-96.60	354.63	7.99	-88.61
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000379386	0	37	-2.0	-99.21	342.37	7.08	-92.13
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000379387	1	40	-2.0	-101.18	356.53	8.01	-93.17
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000379388	0	43	-2.0	-109.62	375.85	8.65	-100.97
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000379389	0	44	-2.0	-99.16	390.42	8.57	-90.59
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000379390	0	40	-2.0	-96.86	355.56	8.02	-88.84
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000379391	1	40	-2.0	-94.75	362.60	8.36	-86.39
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000379392	1	43	-2.0	-103.33	379.56	9.15	-94.18
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000379393	1	48	-2.0	-93.15	413.85	9.36	-83.79
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000379394	1	40	-2.0	-98.79	360.93	8.05	-90.74
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000379395	1	42	-2.0	-95.07	378.31	8.61	-86.46
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000379396	0	41	-2.0	-110.22	359.81	5.67	-104.55
CCC1=CC=C(CC)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000379396	1	41	-2.0	-108.17	355.52	6.54	-101.63
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000379397	1	43	-2.0	-101.36	372.28	8.74	-92.62
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000379398	1	40	-2.0	-100.36	370.82	8.48	-91.88
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000379399	1	43	-2.0	-105.88	360.14	8.58	-97.30
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000379403	0	42	-2.0	-108.00	376.67	9.04	-98.96
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000379404	0	40	-2.0	-99.44	361.83	8.08	-91.36
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000379406	0	43	-2.0	-110.46	375.43	8.65	-101.81
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000379407	0	43	-2.0	-107.73	381.88	9.09	-98.64
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000379408	0	43	-2.0	-115.23	375.16	8.65	-106.58
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000379411	1	43	-2.0	-99.23	376.37	9.12	-90.11
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000379412	1	43	-2.0	-108.05	381.33	8.91	-99.14
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000379413	1	44	-2.0	-109.85	378.05	8.16	-101.69
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000379415	1	43	-2.0	-103.68	379.97	8.92	-94.76
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000379416	1	49	-2.0	-106.15	395.29	9.96	-96.19
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000379417	1	44	-2.0	-111.50	390.43	8.58	-102.92
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000379419	0	45	-2.0	-101.31	390.44	10.03	-91.28
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000379421	0	42	-2.0	-116.28	370.74	9.69	-106.59
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000379422	0	40	-2.0	-114.29	353.77	7.99	-106.30
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000379423	1	43	-2.0	-101.94	371.27	8.53	-93.41
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000379424	1	46	-2.0	-119.11	391.15	10.07	-109.04
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000379425	0	39	-2.0	-108.02	347.10	6.01	-102.01
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000379426	0	44	-2.0	-101.58	378.30	7.75	-93.83
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000379427	0	37	-2.0	-97.77	350.21	6.93	-90.84
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000379428	1	47	-2.0	-104.13	396.24	9.84	-94.29
CCC1=CC=C(CC)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000379429	1	47	-2.0	-106.74	394.20	9.81	-96.93
CCC1=C(S(=O)(=O)[N-]C2=CC(CC)=CC=C2CC)C=C(C(=O)[O-])O1	REAL300000379430	0	43	-2.0	-103.59	367.76	7.81	-95.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=CC=C1F	REAL300000379431	0	32	-2.0	-100.41	315.63	4.72	-95.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1	REAL300000379432	0	32	-2.0	-90.82	311.07	4.70	-86.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C1	REAL300000379433	0	32	-2.0	-102.63	311.10	4.69	-97.94
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(F)F	REAL300000379434	0	36	-2.0	-107.80	339.24	4.49	-103.31
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1	REAL300000379435	0	36	-2.0	-90.74	342.54	5.99	-84.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300000379436	0	35	-2.0	-103.69	327.12	5.23	-98.46
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C1	REAL300000379437	0	32	-2.0	-98.40	324.16	5.28	-93.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=CC=C1Cl	REAL300000379438	0	32	-2.0	-98.70	323.60	5.09	-93.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C1C	REAL300000379439	0	38	-2.0	-105.42	344.20	6.02	-99.40
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C1	REAL300000379440	0	32	-2.0	-99.79	316.57	4.76	-95.03
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1	REAL300000379441	0	38	-2.0	-89.91	354.66	6.27	-83.64
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C1	REAL300000379442	0	29	-2.0	-97.32	304.28	3.71	-93.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(F)F	REAL300000379443	0	35	-2.0	-103.62	326.53	5.48	-98.14
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1	REAL300000379444	0	36	-2.0	-89.43	342.16	4.98	-84.45
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300000379445	0	33	-2.0	-101.13	317.74	4.04	-97.09
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(F)F	REAL300000379446	0	36	-2.0	-104.36	334.88	3.53	-100.83
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C1	REAL300000379447	0	32	-2.0	-93.39	320.20	4.37	-89.02
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300000379448	0	38	-2.0	-104.71	342.54	6.01	-98.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=CS1	REAL300000379449	0	29	-2.0	-98.69	302.75	3.73	-94.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300000379450	0	36	-2.0	-108.55	338.37	4.76	-103.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(F)F	REAL300000379451	0	38	-2.0	-101.94	341.22	6.41	-95.53
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000379452	0	32	-2.0	-96.98	314.10	3.83	-93.15
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C1	REAL300000379453	0	36	-2.0	-103.37	340.01	3.77	-99.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(F)F	REAL300000379454	0	35	-2.0	-94.52	331.80	5.50	-89.02
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300000379455	0	32	-2.0	-100.27	319.72	4.59	-95.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C(Cl)=C1	REAL300000379456	0	32	-2.0	-88.46	324.15	5.27	-83.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1F	REAL300000379457	0	32	-2.0	-90.53	315.61	4.73	-85.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)S1	REAL300000379458	0	29	-2.0	-92.40	303.36	3.81	-88.59
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C1	REAL300000379459	0	32	-2.0	-93.83	317.51	4.75	-89.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C1F	REAL300000379460	0	35	-2.0	-101.19	336.84	5.39	-95.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C(F)=C1	REAL300000379461	0	32	-2.0	-90.06	316.56	4.77	-85.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1Cl	REAL300000379462	0	32	-2.0	-88.44	323.58	5.10	-83.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=CC(F)=C1F	REAL300000379463	0	32	-2.0	-92.30	321.91	4.79	-87.51
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C1	REAL300000379464	0	33	-2.0	-102.47	320.81	2.40	-100.07
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1	REAL300000379465	0	35	-2.0	-94.29	333.26	5.47	-88.82
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(F)F	REAL300000379466	0	35	-2.0	-98.74	321.13	5.33	-93.41
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=CC(C(=O)[O-])=C1F	REAL300000379467	0	35	-2.0	-101.67	335.93	5.35	-96.32
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(F)F	REAL300000379468	0	35	-2.0	-91.04	326.51	5.47	-85.57
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=CC(C(=O)[O-])=C1C	REAL300000379469	0	38	-2.0	-105.47	343.97	5.75	-99.72
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C1	REAL300000379470	0	32	-2.0	-91.71	322.83	4.82	-86.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C(C)=C1C(=O)[O-]	REAL300000379471	0	38	-2.0	-102.89	345.57	6.08	-96.81
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300000379472	0	35	-2.0	-101.96	336.41	5.38	-96.58
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C1	REAL300000379473	0	35	-2.0	-107.06	336.14	5.38	-101.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300000379474	0	38	-2.0	-104.38	345.06	5.87	-98.51
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300000379475	0	36	-2.0	-102.35	339.12	4.91	-97.44
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000379476	0	35	-2.0	-92.40	331.15	5.34	-87.06
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(F)F	REAL300000379477	0	35	-2.0	-101.25	331.05	5.51	-95.74
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C1F	REAL300000379478	0	32	-2.0	-106.38	314.76	4.72	-101.66
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300000379479	0	35	-2.0	-94.44	332.25	5.27	-89.17
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C1	REAL300000379480	0	31	-2.0	-100.27	307.31	2.81	-97.46
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(F)F	REAL300000379481	0	36	-2.0	-94.71	339.30	4.49	-90.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)=C(Cl)O1	REAL300000379482	0	29	-2.0	-91.06	311.20	3.66	-87.40
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000379483	0	35	-2.0	-96.82	333.21	4.69	-92.13
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC(Cl)=CC=C2O1	REAL300000379512	0	37	-2.0	-110.78	338.38	5.47	-105.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)=CC=C1F	REAL300000379531	1	42	-2.0	-100.98	370.55	7.30	-93.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)=C1	REAL300000379533	1	42	-2.0	-103.01	366.01	7.26	-95.75
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)=C1	REAL300000379535	0	42	-2.0	-99.69	371.96	7.33	-92.36
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)=C1	REAL300000379536	0	39	-2.0	-97.29	359.67	6.28	-91.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)C(F)=C1	REAL300000379537	1	45	-2.0	-103.53	381.91	8.06	-95.47
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000379538	1	43	-2.0	-101.50	372.65	6.61	-94.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)=C1	REAL300000379539	0	42	-2.0	-97.71	375.13	6.95	-90.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)=CS1	REAL300000379540	0	39	-2.0	-98.84	358.13	6.30	-92.54
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000379541	0	42	-2.0	-96.89	369.49	6.41	-90.48
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000379542	1	42	-2.0	-100.14	375.08	7.17	-92.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)C=C1F	REAL300000379543	1	42	-2.0	-90.85	370.53	7.31	-83.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)S1	REAL300000379544	0	39	-2.0	-92.46	358.75	6.40	-86.06
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)=C1	REAL300000379545	1	42	-2.0	-93.95	372.89	7.33	-86.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)C(F)=C1	REAL300000379546	0	42	-2.0	-90.28	371.95	7.34	-82.94
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)=C1	REAL300000379547	0	43	-2.0	-102.25	376.20	4.98	-97.27
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3CCCC3)C(F)=C2)=C1	REAL300000379547	1	43	-2.0	-102.74	375.23	5.73	-97.01
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)C=C1	REAL300000379548	1	45	-2.0	-93.97	388.65	8.06	-85.91
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2CCCC2)C(F)=C1	REAL300000379549	1	45	-2.0	-99.70	376.78	7.92	-91.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000379551	1	46	-2.0	-102.84	394.03	7.49	-95.35
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)=C1F	REAL300000379553	0	42	-2.0	-107.42	370.10	7.30	-100.12
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)=C1	REAL300000379554	0	41	-2.0	-105.51	362.99	5.32	-100.19
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000379555	0	45	-2.0	-96.77	388.61	7.26	-89.51
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000379556	1	34	-2.0	-104.60	335.27	2.59	-102.01
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000379557	1	34	-2.0	-95.83	330.68	2.57	-93.26
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000379558	0	34	-2.0	-108.78	330.71	2.55	-106.23
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000379559	0	38	-2.0	-95.48	362.16	3.85	-91.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000379560	1	37	-2.0	-111.03	350.79	3.21	-107.82
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000379561	0	34	-2.0	-102.71	336.19	2.62	-100.09
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000379562	0	31	-2.0	-100.06	323.90	1.58	-98.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300000379563	1	37	-2.0	-106.29	346.15	3.34	-102.95
CN1C=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000379564	0	35	-2.0	-106.83	337.36	1.91	-104.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(F)=C2)=C1	REAL300000379565	0	34	-2.0	-98.07	339.83	2.24	-95.83
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000379566	0	31	-2.0	-102.99	322.37	1.59	-101.40
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000379567	0	34	-2.0	-99.95	333.72	1.69	-98.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000379568	0	34	-2.0	-102.99	339.32	2.45	-100.54
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000379569	0	34	-2.0	-95.55	335.25	2.60	-92.95
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000379570	0	31	-2.0	-96.18	322.99	1.69	-94.49
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000379571	0	34	-2.0	-99.53	337.12	2.63	-96.90
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000379572	0	34	-2.0	-93.94	336.17	2.63	-91.31
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000379573	0	35	-2.0	-105.38	340.43	0.27	-105.11
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000379574	0	37	-2.0	-99.34	352.88	3.33	-96.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300000379575	1	37	-2.0	-103.42	340.78	3.20	-100.22
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300000379576	1	37	-2.0	-94.67	346.13	3.33	-91.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000379577	0	38	-2.0	-108.10	358.74	2.78	-105.32
CC1=CC(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000379578	1	37	-2.0	-95.80	346.72	3.10	-92.70
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000379579	0	34	-2.0	-111.42	334.33	2.58	-108.84
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000379580	0	33	-2.0	-102.96	327.70	0.61	-102.35
CS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000379581	0	31	-2.0	-94.15	330.86	1.53	-92.62
CCC1=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000379582	0	37	-2.0	-99.79	352.85	2.54	-97.25
CC(C)(C)OC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000379584	1	46	-2.0	-113.61	397.54	8.47	-105.14
CC(C)(C)OC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000379585	0	43	-2.0	-107.90	390.72	7.49	-100.41
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000379586	1	47	-2.0	-112.10	404.18	7.82	-104.28
CC(C)(C)OC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000379587	0	43	-2.0	-109.24	389.19	7.51	-101.73
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)OC(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000379588	0	46	-2.0	-107.18	400.55	7.61	-99.57
CC(C)(C)OC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000379589	0	43	-2.0	-103.72	389.81	7.60	-96.12
CC(C)(C)OC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000379590	0	45	-2.0	-111.72	393.76	6.61	-105.11
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=CC=C(Cl)C=C32)=CC(C(=O)[O-])=C1	REAL300000379614	0	36	-2.0	-111.99	339.22	6.69	-105.30
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCOC3=CC=C(Cl)C=C32)=C1	REAL300000379631	0	34	-2.0	-107.73	320.82	4.90	-102.83
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300000379679	0	42	-2.0	-109.71	364.47	7.71	-102.00
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C2O1	REAL300000379699	0	40	-2.0	-108.53	346.19	5.89	-102.64
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C	REAL300000379730	0	44	-2.0	-90.02	384.68	3.53	-86.49
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000379731	0	37	-2.0	-107.02	333.57	5.01	-102.01
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1C	REAL300000379732	0	45	-2.0	-106.63	387.84	6.00	-100.63
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000379733	0	37	-2.0	-97.02	328.20	4.95	-92.07
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000379734	0	37	-2.0	-108.89	329.04	4.98	-103.91
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1C	REAL300000379735	0	41	-2.0	-114.06	356.37	4.71	-109.35
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C	REAL300000379736	0	41	-2.0	-96.09	359.67	6.24	-89.85
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000379737	0	40	-2.0	-110.22	343.81	5.55	-104.67
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C	REAL300000379738	0	37	-2.0	-104.98	341.75	5.56	-99.42
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000379739	0	37	-2.0	-105.29	341.55	5.38	-99.91
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1C	REAL300000379740	0	37	-2.0	-100.53	353.53	5.89	-94.64
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C	REAL300000379741	0	43	-2.0	-113.05	361.08	6.30	-106.75
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000379742	0	37	-2.0	-106.65	334.16	5.05	-101.60
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300000379743	0	43	-2.0	-95.32	371.79	6.53	-88.79
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000379744	0	34	-2.0	-103.43	321.39	3.97	-99.46
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000379745	0	40	-2.0	-109.79	342.66	5.75	-104.04
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C	REAL300000379746	0	41	-2.0	-94.80	359.29	5.23	-89.57
CCN1N=C(C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000379747	0	38	-2.0	-107.75	335.68	4.34	-103.41
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1C	REAL300000379748	0	41	-2.0	-110.90	352.32	3.84	-107.06
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000379749	0	37	-2.0	-100.05	337.33	4.64	-95.41
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1C	REAL300000379750	0	43	-2.0	-111.20	358.74	6.31	-104.89
CCN1N=C(C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000379751	0	34	-2.0	-104.82	320.68	4.02	-100.80
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1C	REAL300000379752	0	45	-2.0	-109.55	386.43	4.83	-104.72
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1C	REAL300000379753	0	41	-2.0	-114.91	356.32	5.06	-109.85
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C	REAL300000379754	0	47	-2.0	-113.87	384.16	7.62	-106.25
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C	REAL300000379755	0	46	-2.0	-111.52	381.06	6.99	-104.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(CC)N=C1C	REAL300000379756	0	43	-2.0	-108.91	352.26	6.55	-102.36
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1C	REAL300000379757	0	44	-2.0	-113.58	378.65	5.47	-108.11
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000379758	0	39	-3.0	-184.62	356.52	5.59	-179.03
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C	REAL300000379759	0	44	-2.0	-115.34	371.70	6.84	-108.50
CCN1N=C(C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000379760	0	37	-2.0	-103.31	333.05	4.05	-99.26
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C	REAL300000379761	0	43	-2.0	-114.22	370.73	4.53	-109.69
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C	REAL300000379762	0	41	-2.0	-109.51	357.65	4.08	-105.43
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1C	REAL300000379763	0	45	-2.0	-96.47	382.66	5.57	-90.90
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000379764	0	37	-2.0	-98.90	356.35	5.84	-93.06
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1C	REAL300000379765	0	37	-2.0	-101.67	345.55	5.54	-96.13
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1C	REAL300000379766	0	41	-2.0	-93.92	375.45	5.77	-88.15
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1C	REAL300000379767	0	44	-2.0	-95.57	380.18	5.97	-89.60
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1C	REAL300000379768	0	47	-2.0	-94.24	408.78	6.23	-88.01
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C	REAL300000379769	0	40	-2.0	-100.71	347.94	5.80	-94.91
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1C	REAL300000379770	0	50	-2.0	-95.42	422.63	6.90	-88.52
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C	REAL300000379771	0	41	-2.0	-94.85	365.64	5.30	-89.55
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(CC)N=C2C)C=C1C(=O)[O-]	REAL300000379772	0	44	-2.0	-115.98	378.17	5.97	-110.01
CCN1N=C(C)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000379773	0	37	-2.0	-106.28	337.72	4.85	-101.43
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1C	REAL300000379774	0	37	-2.0	-98.94	356.90	6.01	-92.93
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000379775	0	37	-2.0	-94.45	341.01	5.52	-88.93
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000379776	0	37	-2.0	-96.78	333.56	5.02	-91.76
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000379777	0	34	-2.0	-98.79	320.47	4.08	-94.71
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000379778	0	37	-2.0	-100.37	335.08	5.06	-95.31
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C	REAL300000379779	0	40	-2.0	-107.65	353.99	5.65	-102.00
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000379780	0	41	-2.0	-99.20	369.00	5.61	-93.59
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000379781	0	37	-2.0	-96.21	333.67	5.02	-91.19
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000379782	0	37	-2.0	-94.72	341.53	5.39	-89.33
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1C	REAL300000379783	0	40	-2.0	-102.44	356.67	6.18	-96.26
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C	REAL300000379784	0	45	-2.0	-92.94	391.96	6.36	-86.58
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000379785	0	37	-2.0	-98.42	339.50	5.08	-93.34
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C	REAL300000379786	0	39	-2.0	-94.28	356.87	5.66	-88.62
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000379787	0	38	-2.0	-108.52	337.94	2.62	-105.90
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000379788	0	40	-2.0	-100.68	350.39	5.72	-94.96
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000379789	0	37	-2.0	-99.85	349.39	5.52	-94.33
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000379790	0	40	-2.0	-104.44	338.37	5.62	-98.82
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000379791	0	40	-2.0	-108.57	353.86	5.63	-102.94
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1C	REAL300000379792	0	40	-2.0	-96.97	342.64	5.75	-91.22
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000379793	0	43	-2.0	-112.01	361.39	6.07	-105.94
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300000379794	0	39	-2.0	-107.95	355.65	6.07	-101.88
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C	REAL300000379795	0	37	-2.0	-98.40	340.44	5.12	-93.28
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C	REAL300000379796	0	43	-2.0	-109.49	361.69	6.37	-103.12
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C	REAL300000379797	0	40	-2.0	-108.58	352.99	5.67	-102.91
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1C	REAL300000379798	0	40	-2.0	-106.57	359.71	6.09	-100.48
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C	REAL300000379799	0	40	-2.0	-113.15	353.71	5.68	-107.47
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(CC)N=C2C)C=C1C(=O)[O-]	REAL300000379800	0	43	-2.0	-111.10	362.97	6.18	-104.92
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1C	REAL300000379801	0	44	-2.0	-110.59	379.50	5.11	-105.48
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1C	REAL300000379802	0	40	-2.0	-98.46	353.94	6.15	-92.31
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1C	REAL300000379803	0	40	-2.0	-93.73	359.16	5.80	-87.93
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000379804	0	40	-2.0	-107.22	360.25	5.95	-101.27
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(CC)N=C2C)C=C1C(=O)[O-]	REAL300000379805	0	41	-2.0	-109.21	356.99	5.19	-104.02
CCN1N=C(C)C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1C	REAL300000379806	0	49	-2.0	-108.73	392.27	7.84	-100.89
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1C	REAL300000379807	0	37	-2.0	-97.36	354.27	5.55	-91.81
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000379808	0	40	-2.0	-102.63	358.43	5.96	-96.67
CCN1N=C(C)C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1C	REAL300000379809	0	46	-2.0	-105.24	374.65	7.01	-98.23
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1C	REAL300000379810	0	41	-2.0	-110.72	369.01	5.63	-105.09
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000379811	0	40	-2.0	-98.81	348.13	5.65	-93.16
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1C	REAL300000379812	0	42	-2.0	-100.16	365.91	7.01	-93.15
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1C	REAL300000379813	0	40	-2.0	-108.18	348.07	5.84	-102.34
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C	REAL300000379814	0	39	-2.0	-115.58	351.76	6.77	-108.81
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000379815	0	37	-2.0	-112.82	331.88	4.98	-107.84
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000379816	0	40	-2.0	-100.94	349.75	5.57	-95.37
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300000379817	0	43	-2.0	-117.29	369.16	7.12	-110.17
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000379818	0	36	-2.0	-106.53	324.89	3.11	-103.42
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1C	REAL300000379819	0	41	-2.0	-100.81	356.41	4.72	-96.09
CCN1N=C(C)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C	REAL300000379820	0	34	-2.0	-97.64	328.27	4.00	-93.64
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C	REAL300000379821	0	44	-2.0	-103.88	376.41	6.63	-97.25
CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C	REAL300000379822	0	44	-2.0	-105.10	372.20	6.89	-98.21
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(CC)N=C2C)C=C(C(=O)[O-])O1	REAL300000379823	0	40	-2.0	-103.53	349.58	4.92	-98.61
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000379824	0	42	-2.0	-106.89	371.42	4.24	-102.65
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000379825	0	42	-2.0	-97.64	366.52	4.23	-93.41
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000379826	0	42	-2.0	-110.44	366.89	4.21	-106.23
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000379827	0	45	-2.0	-111.14	384.37	4.79	-106.35
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000379828	0	42	-2.0	-107.72	369.45	4.11	-103.61
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000379829	0	39	-2.0	-104.68	360.07	3.22	-101.46
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000379830	0	45	-2.0	-110.53	382.32	4.98	-105.55
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000379831	0	43	-2.0	-108.93	373.93	3.54	-105.39
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000379832	0	42	-2.0	-100.29	375.99	3.89	-96.40
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000379833	0	39	-2.0	-105.21	358.54	3.25	-101.96
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000379834	0	42	-2.0	-103.69	369.55	3.35	-100.34
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000379835	0	42	-2.0	-107.78	372.61	3.95	-103.83
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000379836	0	42	-2.0	-97.06	371.08	4.25	-92.81
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000379837	0	39	-2.0	-99.18	359.15	3.33	-95.85
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000379838	0	42	-2.0	-100.38	373.30	4.27	-96.11
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000379839	0	42	-2.0	-96.76	372.33	4.27	-92.49
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000379840	0	43	-2.0	-108.99	376.60	1.91	-107.08
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000379841	0	45	-2.0	-100.45	389.05	4.99	-95.46
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000379842	0	45	-2.0	-106.62	378.12	4.88	-101.74
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000379843	0	45	-2.0	-98.08	382.70	4.96	-93.12
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C=C2OC)C=C1C(=O)[O-]	REAL300000379844	0	46	-2.0	-109.69	396.45	4.49	-105.20
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000379845	0	45	-2.0	-99.39	385.98	4.82	-94.57
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000379846	0	42	-2.0	-113.91	370.53	4.24	-109.67
COC1=CC(C(=O)N(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000379847	0	41	-2.0	-107.15	363.09	2.33	-104.82
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C=C2OC)C=C(C(=O)[O-])O1	REAL300000379848	0	45	-2.0	-103.67	389.42	4.18	-99.49
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000379849	1	42	-2.0	-104.82	362.63	7.09	-97.73
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000379850	1	42	-2.0	-91.53	358.08	7.07	-84.46
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000379851	1	42	-2.0	-103.48	358.11	7.06	-96.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000379852	0	46	-2.0	-108.23	386.25	6.87	-101.36
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000379853	1	46	-2.0	-91.23	389.55	8.36	-82.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000379854	1	45	-2.0	-105.85	377.82	7.71	-98.14
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000379855	0	42	-2.0	-98.78	371.16	7.63	-91.15
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000379856	1	42	-2.0	-103.22	370.60	7.45	-95.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)=C1C	REAL300000379857	1	48	-2.0	-111.11	390.49	8.38	-102.73
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000379858	0	42	-2.0	-100.22	363.56	7.12	-93.10
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000379859	1	48	-2.0	-90.21	401.67	8.65	-81.56
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000379860	0	39	-2.0	-97.93	351.27	6.08	-91.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000379861	1	45	-2.0	-104.06	373.53	7.85	-96.21
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000379862	1	46	-2.0	-89.92	389.17	7.35	-82.57
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000379863	0	43	-2.0	-101.95	364.75	6.42	-95.53
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000379864	1	46	-2.0	-104.71	381.89	5.90	-98.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)=C1	REAL300000379865	0	42	-2.0	-97.76	367.23	6.75	-91.01
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000379866	1	48	-2.0	-105.38	389.12	8.41	-96.97
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000379867	0	39	-2.0	-103.13	349.75	6.10	-97.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000379868	1	46	-2.0	-109.25	385.39	7.13	-102.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000379869	1	48	-2.0	-102.47	388.23	8.80	-93.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000379870	0	42	-2.0	-97.42	361.14	6.21	-91.21
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)=C1	REAL300000379871	0	46	-2.0	-108.20	387.06	6.16	-102.04
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000379872	1	45	-2.0	-94.92	378.81	7.89	-87.03
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000379873	0	42	-2.0	-100.67	366.69	6.96	-93.71
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000379874	0	42	-2.0	-92.63	371.15	7.62	-85.01
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000379875	1	42	-2.0	-91.20	362.64	7.10	-84.10
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000379876	0	39	-2.0	-93.00	350.36	6.19	-86.81
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000379877	1	42	-2.0	-98.16	364.50	7.13	-91.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)=C1F	REAL300000379878	0	45	-2.0	-106.38	383.86	7.77	-98.61
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000379879	0	42	-2.0	-94.19	363.56	7.13	-87.06
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000379880	1	42	-2.0	-89.12	370.61	7.46	-81.66
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000379881	1	42	-2.0	-96.50	368.92	7.15	-89.35
CC(C)(C)C(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000379882	0	43	-2.0	-103.69	366.92	5.55	-98.14
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000379882	1	43	-2.0	-102.81	367.80	4.78	-98.03
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000379883	1	45	-2.0	-94.41	380.27	7.85	-86.56
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000379884	1	45	-2.0	-101.05	371.30	7.79	-93.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)=CC(C(=O)[O-])=C1F	REAL300000379885	1	45	-2.0	-106.22	382.93	7.71	-98.51
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000379886	1	45	-2.0	-95.56	373.51	7.84	-87.72
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)=CC(C(=O)[O-])=C1C	REAL300000379887	1	48	-2.0	-110.34	390.91	8.13	-102.21
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000379888	0	42	-2.0	-92.11	369.85	7.20	-84.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)C(C)=C1C(=O)[O-]	REAL300000379889	1	48	-2.0	-104.43	391.38	8.47	-95.96
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000379890	0	45	-2.0	-101.22	379.51	7.67	-93.55
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)=C1	REAL300000379891	0	45	-2.0	-111.30	383.11	7.75	-103.55
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000379892	1	48	-2.0	-109.11	391.91	8.24	-100.87
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000379893	0	46	-2.0	-103.19	386.12	7.28	-95.91
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000379894	1	45	-2.0	-91.54	374.03	7.61	-83.93
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000379895	1	45	-2.0	-101.65	378.03	7.89	-93.76
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000379896	0	42	-2.0	-107.87	361.76	7.09	-100.78
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000379897	1	45	-2.0	-100.08	383.12	7.72	-92.36
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000379898	0	41	-2.0	-105.01	354.31	5.19	-99.82
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000379899	0	46	-2.0	-95.45	386.30	6.87	-88.58
CC(C)(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000379900	0	39	-2.0	-91.52	358.25	6.04	-85.48
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000379901	0	45	-2.0	-97.31	380.22	7.06	-90.25
CC1(C)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC(Cl)=C21	REAL300000379930	0	39	-2.0	-106.83	345.47	7.01	-99.82
COC1=CC=C2OCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C2=C1	REAL300000379972	0	40	-2.0	-116.14	351.98	5.45	-110.69
COC1=CC=C2OCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000379991	0	38	-2.0	-113.41	333.60	3.66	-109.75
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000380021	0	44	-2.0	-89.85	386.54	3.74	-86.11
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000380022	0	37	-2.0	-105.89	334.62	5.19	-100.70
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(C)C)N=C1	REAL300000380023	0	45	-2.0	-107.36	389.70	6.25	-101.11
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000380024	0	37	-2.0	-96.85	334.50	5.10	-91.75
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000380025	0	37	-2.0	-108.35	330.08	5.15	-103.20
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(C)C)N=C1	REAL300000380026	0	41	-2.0	-114.34	358.22	4.96	-109.38
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000380027	0	41	-2.0	-95.75	361.53	6.45	-89.30
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000380028	0	40	-2.0	-110.55	350.53	5.63	-104.92
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000380029	0	37	-2.0	-104.54	343.15	5.73	-98.81
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000380030	0	37	-2.0	-104.96	347.04	5.49	-99.47
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=N1	REAL300000380031	0	37	-2.0	-100.16	355.64	6.09	-94.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)=C1C	REAL300000380032	0	43	-2.0	-111.83	362.46	6.47	-105.36
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000380033	0	37	-2.0	-105.92	335.56	5.22	-100.70
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000380034	0	43	-2.0	-95.08	373.64	6.74	-88.34
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000380035	0	34	-2.0	-103.41	327.72	4.13	-99.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(C)C)N=C1	REAL300000380036	0	40	-2.0	-110.71	349.95	5.89	-104.82
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000380037	0	41	-2.0	-94.46	361.14	5.43	-89.03
CC(C)CN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000380038	0	38	-2.0	-106.82	336.71	4.51	-102.31
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(C)C)N=C1	REAL300000380039	0	41	-2.0	-110.27	354.29	3.97	-106.30
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)=C1	REAL300000380040	0	37	-2.0	-99.63	343.62	4.78	-94.85
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000380041	0	43	-2.0	-111.88	365.98	6.41	-105.47
CC(C)CN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000380042	0	34	-2.0	-104.05	321.73	4.19	-99.86
COC1=CC(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000380043	0	45	-2.0	-109.72	392.83	4.92	-104.80
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000380044	0	41	-2.0	-114.28	357.35	5.23	-109.05
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000380045	0	47	-2.0	-113.78	385.34	7.78	-106.00
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=N1	REAL300000380046	0	46	-2.0	-112.81	388.43	7.11	-105.70
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(C)C)N=C1	REAL300000380047	0	43	-2.0	-108.43	360.23	6.86	-101.57
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(C)C)N=C1	REAL300000380048	0	44	-2.0	-114.23	380.49	5.73	-108.50
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000380049	0	39	-3.0	-182.69	358.48	5.72	-176.97
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000380050	0	44	-2.0	-114.78	378.78	7.00	-107.78
CC1=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000380051	0	37	-2.0	-103.48	337.54	4.25	-99.23
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000380052	0	43	-2.0	-113.19	372.23	4.94	-108.25
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)=C1	REAL300000380053	0	41	-2.0	-110.34	363.52	4.20	-106.14
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000380054	0	45	-2.0	-96.59	388.16	5.72	-90.87
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000380055	0	37	-2.0	-98.19	357.76	6.01	-92.18
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000380056	0	37	-2.0	-102.04	352.13	5.68	-96.36
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000380057	0	41	-2.0	-92.92	377.18	5.97	-86.95
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000380058	0	44	-2.0	-95.68	385.67	6.09	-89.59
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=N1	REAL300000380059	0	47	-2.0	-93.72	409.81	6.40	-87.32
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(C)C)N=C1	REAL300000380060	0	40	-2.0	-101.06	355.23	5.92	-95.14
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000380061	0	50	-2.0	-95.08	423.67	7.07	-88.01
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000380062	0	41	-2.0	-93.88	367.38	5.49	-88.39
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000380063	0	44	-2.0	-115.94	383.67	6.08	-109.86
CC1=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000380064	0	37	-2.0	-106.82	344.21	4.99	-101.83
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000380065	0	37	-2.0	-98.97	362.76	6.13	-92.84
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000380066	0	37	-2.0	-94.42	347.56	5.67	-88.75
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000380067	0	37	-2.0	-95.58	334.58	5.19	-90.39
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000380068	0	34	-2.0	-97.70	322.35	4.28	-93.42
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000380069	0	37	-2.0	-99.24	336.49	5.22	-94.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)=C1F	REAL300000380070	0	40	-2.0	-108.13	360.28	5.80	-102.33
COC1=CC(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000380071	0	41	-2.0	-99.12	374.83	5.73	-93.39
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000380072	0	37	-2.0	-96.06	339.98	5.18	-90.88
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000380073	0	37	-2.0	-94.40	347.01	5.51	-88.89
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(C)C)N=C1	REAL300000380074	0	40	-2.0	-102.15	359.50	6.36	-95.79
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000380075	0	45	-2.0	-92.58	393.80	6.57	-86.01
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000380076	0	37	-2.0	-97.60	340.90	5.25	-92.35
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000380077	0	39	-2.0	-93.40	358.27	5.82	-87.58
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000380078	0	38	-2.0	-109.01	339.78	2.87	-106.14
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000380079	0	40	-2.0	-100.72	356.70	5.88	-94.84
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000380080	0	37	-2.0	-99.87	355.24	5.63	-94.24
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC(C)C)N=C1	REAL300000380081	0	40	-2.0	-104.28	340.15	5.78	-98.50
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000380082	0	40	-2.0	-107.24	354.90	5.80	-101.44
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(C)C)N=C1	REAL300000380083	0	40	-2.0	-96.47	345.47	5.93	-90.54
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000380084	0	43	-2.0	-112.96	366.87	6.32	-106.64
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000380085	0	39	-2.0	-107.25	361.09	6.19	-101.06
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000380086	0	37	-2.0	-97.51	341.84	5.27	-92.24
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000380087	0	43	-2.0	-109.30	369.01	6.47	-102.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000380088	0	40	-2.0	-108.25	355.38	5.84	-102.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)=C1Cl	REAL300000380089	0	40	-2.0	-107.11	366.28	6.24	-100.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)=C1	REAL300000380090	0	40	-2.0	-112.70	355.10	5.85	-106.85
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000380091	0	43	-2.0	-111.32	368.48	6.28	-105.04
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C=C1CC(=O)[O-]	REAL300000380092	0	44	-2.0	-110.57	380.54	5.28	-105.29
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(CC(C)C)N=C1	REAL300000380093	0	40	-2.0	-97.65	356.32	6.33	-91.32
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000380094	0	40	-2.0	-93.38	364.64	5.91	-87.47
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000380095	0	40	-2.0	-106.03	361.29	6.11	-99.92
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000380096	0	41	-2.0	-108.11	358.08	5.38	-102.73
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000380097	0	49	-2.0	-109.05	399.66	7.97	-101.08
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000380098	0	37	-2.0	-96.33	355.66	5.72	-90.61
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000380099	0	40	-2.0	-103.75	368.27	6.16	-97.59
CC(C)CN1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300000380100	0	46	-2.0	-105.98	379.55	7.28	-98.70
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000380101	0	41	-2.0	-110.87	374.86	5.75	-105.12
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000380102	0	40	-2.0	-96.98	350.54	5.65	-91.33
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000380103	0	42	-2.0	-101.24	377.80	7.30	-93.94
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(C)C)N=C1	REAL300000380104	0	40	-2.0	-108.02	354.49	5.91	-102.11
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000380105	0	39	-2.0	-115.77	358.26	6.96	-108.81
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000380106	0	37	-2.0	-112.73	338.18	5.13	-107.60
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000380107	0	40	-2.0	-101.97	359.47	5.77	-96.20
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000380108	0	43	-2.0	-117.62	375.56	7.23	-110.39
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000380109	0	36	-2.0	-106.71	330.75	3.23	-103.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(C)C)N=C1	REAL300000380110	0	41	-2.0	-101.11	362.72	4.90	-96.21
CC(C)CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000380111	0	34	-2.0	-97.22	334.68	4.08	-93.14
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000380112	0	44	-2.0	-103.59	380.65	6.98	-96.61
CC(C)CN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000380113	0	44	-2.0	-105.29	375.50	7.04	-98.25
CCC1=C(S(=O)(=O)[N-]C2=CN(CC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000380114	0	40	-2.0	-102.82	352.21	5.15	-97.67
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CN1C	REAL300000380115	0	38	-2.0	-113.46	354.40	6.06	-107.40
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CN1C	REAL300000380116	1	38	-2.0	-103.25	349.84	6.05	-97.20
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CN1C	REAL300000380117	0	38	-2.0	-116.23	349.86	6.03	-110.20
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CN1C	REAL300000380118	0	42	-2.0	-122.99	378.00	5.84	-117.15
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CN1C	REAL300000380119	0	42	-2.0	-102.89	381.32	7.33	-95.56
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CN1C	REAL300000380120	1	41	-2.0	-117.39	365.87	6.57	-110.82
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CN1C	REAL300000380121	0	38	-2.0	-112.75	362.93	6.60	-106.15
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN1C	REAL300000380122	0	38	-2.0	-111.90	362.37	6.42	-105.48
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CN1C	REAL300000380123	0	44	-2.0	-120.57	382.54	7.39	-113.18
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CN1C	REAL300000380124	0	38	-2.0	-114.25	355.32	6.10	-108.15
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CN1C	REAL300000380125	0	44	-2.0	-102.15	393.43	7.62	-94.53
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CN1C	REAL300000380126	0	35	-2.0	-110.31	343.04	5.07	-105.24
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CN1C	REAL300000380127	0	41	-2.0	-118.47	365.29	6.81	-111.66
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CN1C	REAL300000380128	1	42	-2.0	-101.59	380.94	6.32	-95.27
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CN1C	REAL300000380129	0	39	-2.0	-114.55	356.51	5.40	-109.15
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CN1C	REAL300000380130	1	42	-2.0	-118.72	374.06	4.83	-113.89
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CN1C	REAL300000380131	0	38	-2.0	-106.25	358.96	5.72	-100.53
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CN1C	REAL300000380132	1	44	-2.0	-120.08	380.93	7.38	-112.70
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CN1C	REAL300000380133	0	35	-2.0	-111.70	341.51	5.07	-106.63
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=CN1C	REAL300000380134	1	42	-2.0	-122.05	377.15	6.11	-115.94
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CN1C	REAL300000380135	0	47	-2.0	-120.83	403.76	8.04	-112.79
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=CN1C	REAL300000380136	0	44	-2.0	-117.04	379.98	7.76	-109.28
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=CN1C	REAL300000380137	0	45	-2.0	-122.28	400.29	6.61	-115.67
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CN1C	REAL300000380138	0	40	-3.0	-191.20	378.26	6.62	-184.58
CCOC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CN1C	REAL300000380138	1	41	-2.0	-116.69	379.22	6.60	-110.09
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CN1C	REAL300000380139	0	45	-2.0	-122.78	394.10	7.94	-114.84
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CN1C	REAL300000380140	0	38	-2.0	-110.67	352.85	5.19	-105.48
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CN1C	REAL300000380141	0	42	-2.0	-116.90	378.84	5.13	-111.77
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CN1C	REAL300000380142	1	45	-2.0	-102.08	401.01	7.02	-95.06
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CN1C	REAL300000380143	0	41	-2.0	-108.47	370.57	6.86	-101.61
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)=CN1C	REAL300000380144	1	45	-2.0	-122.77	398.99	7.03	-115.74
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CN1C	REAL300000380145	0	38	-2.0	-114.55	358.46	5.93	-108.62
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CN1C	REAL300000380146	0	38	-2.0	-100.73	362.91	6.59	-94.14
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CN1C	REAL300000380147	0	38	-2.0	-102.59	354.39	6.08	-96.51
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CN1C	REAL300000380148	0	35	-2.0	-105.03	342.15	5.16	-99.87
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CN1C	REAL300000380149	0	38	-2.0	-106.83	356.26	6.10	-100.73
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CN1C	REAL300000380150	0	41	-2.0	-115.71	375.60	6.75	-108.96
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CN1C	REAL300000380151	0	38	-2.0	-102.50	355.32	6.12	-96.38
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN1C	REAL300000380152	0	38	-2.0	-100.72	362.36	6.43	-94.29
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CN1C	REAL300000380153	0	38	-2.0	-104.77	360.69	6.13	-98.64
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CN1C	REAL300000380154	0	40	-2.0	-100.69	378.06	6.70	-93.99
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CN1C	REAL300000380155	0	39	-2.0	-117.77	359.57	3.76	-114.01
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CN1C	REAL300000380156	0	41	-2.0	-107.79	372.03	6.82	-100.97
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CN1C	REAL300000380157	0	41	-2.0	-111.64	359.40	6.71	-104.93
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CN1C	REAL300000380158	0	41	-2.0	-114.81	374.69	6.68	-108.13
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CN1C	REAL300000380159	1	41	-2.0	-103.78	365.27	6.79	-96.99
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CN1C	REAL300000380160	1	44	-2.0	-120.71	386.66	7.20	-113.51
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CN1C	REAL300000380161	0	40	-2.0	-113.71	376.42	7.12	-106.59
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CN1C	REAL300000380162	0	38	-2.0	-105.41	361.61	6.16	-99.25
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CN1C	REAL300000380163	1	44	-2.0	-115.56	384.33	7.41	-108.15
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CN1C	REAL300000380164	0	41	-2.0	-116.74	375.18	6.73	-110.01
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CN1C	REAL300000380165	0	41	-2.0	-119.81	374.89	6.72	-113.09
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=CN1C	REAL300000380166	1	44	-2.0	-118.07	384.09	7.22	-110.85
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=CN1C	REAL300000380167	1	45	-2.0	-118.69	400.32	6.16	-112.53
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=CN1C	REAL300000380168	0	42	-2.0	-115.87	377.88	6.26	-109.61
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CN1C	REAL300000380169	1	41	-2.0	-103.48	365.86	6.59	-96.89
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CN1C	REAL300000380170	1	41	-2.0	-115.61	369.81	6.83	-108.78
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CN1C	REAL300000380171	0	40	-2.0	-121.95	373.58	7.89	-114.06
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CN1C	REAL300000380172	0	38	-2.0	-119.05	353.51	6.07	-112.98
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CN1C	REAL300000380173	0	41	-2.0	-108.61	374.80	6.71	-101.90
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CN1C	REAL300000380174	0	37	-2.0	-114.68	346.84	4.11	-110.57
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CN1C	REAL300000380175	0	42	-2.0	-107.84	378.06	5.84	-102.00
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CN1C	REAL300000380176	0	35	-2.0	-103.99	349.99	5.02	-98.97
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CN1C	REAL300000380177	0	45	-2.0	-110.47	395.99	7.92	-102.55
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CN1C	REAL300000380178	0	45	-2.0	-112.42	395.30	7.92	-104.50
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=CN1C	REAL300000380179	0	41	-2.0	-110.72	371.98	6.04	-104.68
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=CC=C1F	REAL300000380180	0	34	-3.0	-220.74	339.38	3.54	-217.20
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=CC=C1F	REAL300000380180	1	35	-2.0	-111.79	342.07	4.34	-107.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000380181	0	34	-3.0	-207.57	334.83	3.52	-204.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000380181	1	35	-2.0	-101.96	337.51	4.32	-97.64
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380182	0	34	-3.0	-226.46	334.85	3.51	-222.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380182	1	35	-2.0	-114.22	337.54	4.31	-109.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300000380183	0	38	-3.0	-231.47	363.00	3.32	-228.15
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC2=CC=CC=C2O1	REAL300000380183	1	39	-2.0	-118.27	365.68	4.12	-114.15
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000380184	0	38	-3.0	-205.26	366.30	4.80	-200.46
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000380184	1	39	-2.0	-101.24	368.99	5.61	-95.63
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380185	0	37	-3.0	-228.94	350.87	4.04	-224.90
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380185	1	38	-2.0	-115.32	353.58	4.85	-110.47
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380186	0	34	-3.0	-218.02	347.92	4.06	-213.96
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380186	1	35	-2.0	-108.76	350.61	4.87	-103.89
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=CC=C1Cl	REAL300000380187	0	34	-3.0	-220.47	347.36	3.90	-216.57
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=CC=C1Cl	REAL300000380187	1	35	-2.0	-110.10	350.04	4.71	-105.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C1C	REAL300000380188	0	40	-3.0	-226.13	367.53	4.77	-221.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=C1C	REAL300000380188	1	41	-2.0	-115.47	370.21	5.58	-109.89
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380189	0	34	-3.0	-222.19	340.33	3.57	-218.62
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380189	1	35	-2.0	-110.31	343.01	4.38	-105.93
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000380190	0	40	-3.0	-205.26	378.42	5.10	-200.16
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000380190	1	41	-2.0	-100.18	381.10	5.90	-94.28
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380191	0	31	-3.0	-217.16	328.04	2.53	-214.63
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380191	1	32	-2.0	-108.39	330.72	3.34	-105.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300000380192	0	37	-3.0	-223.34	350.29	4.27	-219.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC2=CC=CC=C2O1	REAL300000380192	1	38	-2.0	-113.43	352.97	5.09	-108.34
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000380193	0	38	-3.0	-204.16	365.92	3.79	-200.37
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000380193	1	39	-2.0	-99.93	368.60	4.60	-95.33
CN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380194	0	35	-3.0	-223.84	341.49	2.86	-220.98
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380194	1	36	-2.0	-112.84	344.18	3.67	-109.17
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300000380195	0	38	-3.0	-223.29	359.06	2.30	-220.99
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC2=CC=CC=C2O1	REAL300000380195	1	39	-2.0	-114.09	361.74	3.12	-110.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380196	0	34	-3.0	-211.96	343.97	3.20	-208.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380196	1	35	-2.0	-104.59	346.65	4.00	-100.59
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380197	0	40	-3.0	-226.11	365.92	4.78	-221.33
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380197	1	41	-2.0	-114.95	368.60	5.58	-109.37
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=CS1	REAL300000380198	0	31	-3.0	-219.43	326.50	2.53	-216.90
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=CS1	REAL300000380198	1	32	-2.0	-110.03	329.19	3.35	-106.68
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380199	0	38	-3.0	-232.35	362.15	3.58	-228.77
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380199	1	39	-2.0	-120.14	364.82	4.38	-115.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300000380200	0	40	-3.0	-219.17	364.98	5.01	-214.16
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC2=CC=CC=C2O1	REAL300000380200	1	41	-2.0	-111.34	367.67	5.83	-105.51
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C(C(=O)[O-])O1	REAL300000380201	0	34	-3.0	-212.59	337.86	2.65	-209.94
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C(C(=O)[O-])O1	REAL300000380201	1	35	-2.0	-107.07	340.54	3.46	-103.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380202	0	38	-3.0	-232.29	363.76	2.61	-229.68
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380202	1	39	-2.0	-117.17	366.44	3.42	-113.75
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300000380203	0	37	-3.0	-211.58	355.56	4.30	-207.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC2=CC=CC=C2O1	REAL300000380203	1	38	-2.0	-104.39	358.24	5.11	-99.28
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C(C(=O)[O-])S1	REAL300000380204	0	34	-3.0	-217.77	343.45	3.40	-214.37
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C(C(=O)[O-])S1	REAL300000380204	1	35	-2.0	-110.18	346.14	4.21	-105.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C(Cl)=C1	REAL300000380205	0	34	-3.0	-204.21	347.90	4.05	-200.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C(Cl)=C1	REAL300000380205	1	35	-2.0	-99.66	350.58	4.86	-94.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1F	REAL300000380206	0	34	-3.0	-205.10	339.38	3.55	-201.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1F	REAL300000380206	1	35	-2.0	-101.51	342.06	4.35	-97.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)S1	REAL300000380207	0	31	-3.0	-209.84	327.12	2.64	-207.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)S1	REAL300000380207	1	32	-2.0	-103.41	329.81	3.44	-99.97
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380208	0	34	-3.0	-214.44	341.26	3.58	-210.86
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380208	1	35	-2.0	-105.06	343.94	4.38	-100.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C1F	REAL300000380209	0	37	-3.0	-224.60	360.60	4.20	-220.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=C1F	REAL300000380209	1	38	-2.0	-111.66	363.28	5.01	-106.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C(F)=C1	REAL300000380210	0	34	-3.0	-208.49	340.34	3.58	-204.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C(F)=C1	REAL300000380210	1	35	-2.0	-101.39	343.02	4.38	-97.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1Cl	REAL300000380211	0	34	-3.0	-204.25	347.34	3.91	-200.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1Cl	REAL300000380211	1	35	-2.0	-99.48	350.03	4.72	-94.76
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=CC(F)=C1F	REAL300000380212	0	34	-3.0	-209.55	345.67	3.60	-205.95
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=CC(F)=C1F	REAL300000380212	1	35	-2.0	-103.37	348.36	4.41	-98.96
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380213	0	35	-3.0	-220.50	344.57	1.23	-219.27
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380213	1	34	-4.0	-363.75	341.01	2.11	-361.64
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000380214	0	37	-3.0	-211.94	357.02	4.29	-207.65
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000380214	1	38	-2.0	-104.36	359.70	5.10	-99.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300000380215	0	37	-3.0	-224.64	344.92	4.13	-220.51
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC2=CC=CC=C2O1	REAL300000380215	1	38	-2.0	-111.72	347.61	4.94	-106.78
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=CC(C(=O)[O-])=C1F	REAL300000380216	0	37	-3.0	-222.87	359.69	4.16	-218.71
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=CC(C(=O)[O-])=C1F	REAL300000380216	1	38	-2.0	-113.09	362.37	4.96	-108.13
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300000380217	0	37	-3.0	-206.55	350.27	4.26	-202.29
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC2=CC=CC=C2O1	REAL300000380217	1	38	-2.0	-101.79	352.95	5.08	-96.71
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=CC(C(=O)[O-])=C1C	REAL300000380218	0	40	-3.0	-233.49	371.65	4.68	-228.81
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=CC(C(=O)[O-])=C1C	REAL300000380218	1	41	-2.0	-118.75	374.34	5.48	-113.27
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380219	0	34	-3.0	-211.93	346.61	3.64	-208.29
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380219	1	35	-2.0	-102.31	349.29	4.44	-97.87
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C(C)=C1C(=O)[O-]	REAL300000380220	0	40	-3.0	-229.17	369.32	4.87	-224.30
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C(C)=C1C(=O)[O-]	REAL300000380220	1	41	-2.0	-115.96	372.02	5.70	-110.26
CC1=CC(F)=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380221	0	37	-3.0	-224.50	356.33	4.11	-220.39
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380221	1	38	-2.0	-111.38	359.01	4.91	-106.47
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380222	0	37	-3.0	-236.13	359.89	4.20	-231.93
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380222	1	38	-2.0	-120.46	362.55	5.00	-115.46
CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380223	0	40	-3.0	-230.26	368.79	4.70	-225.56
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380223	1	41	-2.0	-116.03	371.47	5.50	-110.53
CCN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380224	0	38	-3.0	-225.74	362.87	3.73	-222.01
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380224	1	39	-2.0	-114.11	365.56	4.54	-109.57
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=CC=C1C(=O)[O-]	REAL300000380225	0	37	-3.0	-208.51	350.86	4.05	-204.46
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=CC=C1C(=O)[O-]	REAL300000380225	1	38	-2.0	-102.00	353.54	4.86	-97.14
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300000380226	0	37	-3.0	-217.52	354.81	4.31	-213.21
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC2=CC=CC=C2O1	REAL300000380226	1	38	-2.0	-110.89	357.50	5.12	-105.77
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=CC=C1	REAL300000380227	0	34	-3.0	-234.67	338.47	3.53	-231.14
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=CC=C1	REAL300000380227	1	35	-2.0	-119.78	341.15	4.34	-115.44
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380228	0	37	-3.0	-217.79	359.79	4.19	-213.60
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000380228	1	38	-2.0	-107.04	362.48	4.99	-102.05
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380229	0	33	-3.0	-224.32	331.07	1.63	-222.69
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000380229	1	34	-2.0	-111.70	333.75	2.45	-109.25
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300000380230	0	38	-3.0	-214.10	363.06	3.32	-210.78
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC2=CC=CC=C2O1	REAL300000380230	1	39	-2.0	-105.97	365.74	4.12	-101.85
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)=C(Cl)O1	REAL300000380231	0	31	-3.0	-206.03	335.00	2.48	-203.55
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)=C(Cl)O1	REAL300000380231	1	32	-2.0	-101.45	337.68	3.30	-98.15
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CC3=CC=CC=C3O2)C=C(C(=O)[O-])O1	REAL300000380232	0	37	-3.0	-211.99	357.01	3.44	-208.55
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC3=CC=CC=C3O2)C=C(C(=O)[O-])O1	REAL300000380232	1	38	-2.0	-106.56	359.66	4.24	-102.32
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000380233	0	42	-2.0	-89.74	368.71	4.40	-85.34
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000380234	0	35	-2.0	-107.30	316.80	5.84	-101.46
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000380235	0	43	-2.0	-106.60	371.87	6.79	-99.81
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000380236	0	35	-2.0	-96.48	312.23	5.82	-90.66
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000380237	0	35	-2.0	-109.94	312.26	5.81	-104.13
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000380238	0	39	-2.0	-113.59	340.40	5.50	-108.09
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000380239	0	39	-2.0	-95.85	343.70	7.12	-88.73
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000380240	0	38	-2.0	-111.23	328.27	6.33	-104.90
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000380241	0	35	-2.0	-103.49	325.33	6.35	-97.14
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000380242	0	35	-2.0	-105.72	324.77	6.20	-99.52
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000380243	0	35	-2.0	-99.18	337.82	6.74	-92.44
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000380244	0	41	-2.0	-110.90	344.92	7.14	-103.76
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000380245	0	35	-2.0	-105.58	317.72	5.87	-99.71
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000380246	0	41	-2.0	-94.93	355.84	7.39	-87.54
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000380247	0	32	-2.0	-102.65	305.45	4.87	-97.78
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000380248	0	38	-2.0	-108.54	327.69	6.55	-101.99
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000380249	0	39	-2.0	-94.45	343.32	6.09	-88.36
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000380250	0	36	-2.0	-106.67	318.90	5.19	-101.48
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000380251	0	39	-2.0	-109.21	336.04	4.63	-104.58
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000380252	0	35	-2.0	-99.88	321.36	5.53	-94.35
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000380253	0	41	-2.0	-109.84	343.71	7.09	-102.75
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000380254	0	32	-2.0	-103.86	303.91	4.86	-99.00
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000380255	0	43	-2.0	-108.55	370.60	5.62	-102.93
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000380256	0	39	-2.0	-115.86	339.55	5.88	-109.98
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000380257	0	45	-2.0	-112.89	367.49	8.42	-104.47
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000380258	0	44	-2.0	-110.86	366.16	7.80	-103.06
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000380259	0	41	-2.0	-106.73	342.38	7.50	-99.23
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000380260	0	42	-2.0	-113.53	362.68	6.27	-107.26
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000380261	0	37	-3.0	-185.41	340.66	6.38	-179.03
CCC1=CC=C(O)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000380261	1	38	-2.0	-106.58	345.16	4.07	-102.51
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000380262	0	42	-2.0	-113.05	356.50	7.71	-105.34
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000380263	0	35	-2.0	-102.28	315.26	4.95	-97.33
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000380264	0	41	-2.0	-114.84	354.43	5.59	-109.25
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000380265	0	39	-2.0	-111.00	341.17	4.79	-106.21
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000380266	0	43	-2.0	-95.53	365.18	6.41	-89.12
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000380267	0	35	-2.0	-97.85	339.94	6.65	-91.20
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000380268	0	35	-2.0	-100.18	329.84	6.38	-93.80
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000380269	0	39	-2.0	-93.05	359.36	6.63	-86.42
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000380270	0	42	-2.0	-94.92	363.41	6.79	-88.13
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000380271	0	45	-2.0	-93.53	392.01	7.05	-86.48
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000380272	0	38	-2.0	-99.40	332.97	6.59	-92.81
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1	REAL300000380273	0	48	-2.0	-94.71	405.87	7.72	-86.99
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000380274	0	39	-2.0	-94.04	349.56	6.15	-87.89
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(CC)=CC=C2O)C=C1C(=O)[O-]	REAL300000380275	0	42	-2.0	-116.67	361.41	6.79	-109.88
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000380276	0	35	-2.0	-105.07	321.95	5.70	-99.37
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000380277	0	35	-2.0	-97.49	340.47	6.81	-90.68
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000380278	0	35	-2.0	-93.97	325.30	6.35	-87.62
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000380279	0	35	-2.0	-96.06	316.78	5.85	-90.21
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000380280	0	32	-2.0	-98.54	304.52	4.97	-93.57
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000380281	0	35	-2.0	-100.59	318.67	5.88	-94.71
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000380282	0	38	-2.0	-107.13	338.01	6.51	-100.62
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000380283	0	39	-2.0	-98.79	352.56	6.41	-92.38
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000380284	0	35	-2.0	-96.34	317.71	5.88	-90.46
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000380285	0	35	-2.0	-94.17	324.75	6.21	-87.96
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000380286	0	38	-2.0	-101.06	341.70	6.97	-94.09
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000380287	0	43	-2.0	-92.40	375.98	7.23	-85.17
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000380288	0	35	-2.0	-97.17	323.08	5.90	-91.27
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000380289	0	37	-2.0	-94.54	340.45	6.47	-88.07
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000380290	0	36	-2.0	-107.65	321.97	3.40	-104.25
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000380291	0	38	-2.0	-100.00	334.44	6.59	-93.41
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000380292	0	35	-2.0	-98.62	332.97	6.34	-92.28
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000380293	0	38	-2.0	-105.77	322.29	6.41	-99.36
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000380294	0	38	-2.0	-108.83	337.09	6.45	-102.38
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000380295	0	38	-2.0	-96.38	327.67	6.54	-89.84
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000380296	0	41	-2.0	-111.24	345.72	6.89	-104.35
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000380297	0	37	-2.0	-108.11	338.83	6.89	-101.22
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000380298	0	35	-2.0	-97.51	324.01	5.94	-91.57
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000380299	0	41	-2.0	-110.28	345.78	7.20	-103.08
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000380300	0	38	-2.0	-108.00	337.57	6.50	-101.50
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000380301	0	38	-2.0	-105.36	344.02	6.93	-98.43
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000380302	0	38	-2.0	-115.15	337.29	6.50	-108.65
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000380303	0	41	-2.0	-112.00	346.57	7.00	-105.00
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000380304	0	42	-2.0	-111.17	362.73	5.93	-105.24
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000380305	0	38	-2.0	-98.95	338.52	6.98	-91.97
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000380306	0	38	-2.0	-93.12	342.38	6.62	-86.50
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000380307	0	38	-2.0	-107.63	343.49	6.77	-100.86
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000380308	0	39	-2.0	-108.00	340.19	6.04	-101.96
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000380309	0	47	-2.0	-109.92	377.41	8.57	-101.35
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000380310	0	35	-2.0	-96.17	337.87	6.38	-89.79
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000380311	0	38	-2.0	-102.82	346.03	6.87	-95.95
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000380312	0	44	-2.0	-104.41	361.69	7.86	-96.55
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000380313	0	39	-2.0	-109.05	352.58	6.42	-102.63
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000380314	0	38	-2.0	-96.62	328.26	6.36	-90.26
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000380315	0	40	-2.0	-101.11	355.51	7.81	-93.30
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000380316	0	38	-2.0	-106.19	331.79	6.63	-99.56
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000380317	0	37	-2.0	-117.16	335.98	7.52	-109.64
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000380318	0	35	-2.0	-114.20	315.88	5.83	-108.37
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000380319	0	38	-2.0	-101.05	337.21	6.48	-94.57
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000380320	0	41	-2.0	-118.59	353.30	7.94	-110.65
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000380321	0	34	-2.0	-107.45	308.46	3.96	-103.49
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000380322	0	39	-2.0	-100.89	340.46	5.49	-95.40
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000380323	0	32	-2.0	-96.40	312.35	4.80	-91.60
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000380324	0	42	-2.0	-102.52	358.38	7.69	-94.83
CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000380325	0	42	-2.0	-105.62	356.34	7.67	-97.95
CCC1=C(S(=O)(=O)[N-]C2=CC(CC)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000380326	0	38	-2.0	-102.17	334.37	5.81	-96.36
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000380327	0	38	-2.0	-114.85	358.19	6.25	-108.60
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000380328	0	38	-2.0	-105.00	353.62	6.22	-98.78
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000380329	0	38	-2.0	-117.45	353.66	6.21	-111.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)(C)C)C=C1C#N	REAL300000380330	0	42	-2.0	-122.05	381.79	6.03	-116.02
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000380331	0	42	-2.0	-104.12	385.11	7.51	-96.61
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000380332	0	41	-2.0	-118.63	369.67	6.75	-111.88
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000380333	0	38	-2.0	-112.34	366.72	6.79	-105.55
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000380334	0	38	-2.0	-113.28	366.16	6.61	-106.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)=C1C	REAL300000380335	0	44	-2.0	-119.58	386.31	7.58	-112.00
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000380336	0	38	-2.0	-114.02	359.12	6.28	-107.74
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000380337	0	44	-2.0	-103.18	397.21	7.81	-95.37
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000380338	0	35	-2.0	-111.71	346.84	5.24	-106.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)(C)C)C=C1C#N	REAL300000380339	0	41	-2.0	-117.39	369.09	7.00	-110.39
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000380340	0	42	-2.0	-102.81	384.71	6.50	-96.31
CN1C=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000380341	0	39	-2.0	-115.97	360.30	5.56	-110.41
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)(C)C)C=C1C#N	REAL300000380342	0	42	-2.0	-118.22	377.44	5.06	-113.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)=C1	REAL300000380343	0	38	-2.0	-107.97	362.80	5.89	-102.08
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000380344	0	44	-2.0	-118.55	385.10	7.53	-111.02
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000380345	0	35	-2.0	-113.11	345.31	5.24	-107.87
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000380346	0	42	-2.0	-123.29	380.93	6.28	-117.01
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)(C)C)C=C1C#N	REAL300000380347	0	47	-2.0	-119.50	407.52	8.23	-111.27
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)(C)C)C=C1C#N	REAL300000380348	0	44	-2.0	-115.41	383.75	7.94	-107.47
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)(C)C)C=C1C#N	REAL300000380349	0	45	-2.0	-121.39	404.06	6.80	-114.59
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000380350	0	40	-3.0	-194.45	382.05	6.78	-187.67
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000380351	0	45	-2.0	-121.68	397.90	8.10	-113.58
CC1=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000380352	0	38	-2.0	-110.75	356.63	5.36	-105.39
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)=C1	REAL300000380353	0	42	-2.0	-119.50	382.59	5.31	-114.19
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)=CC=C1OCC(=O)[O-]	REAL300000380354	0	45	-2.0	-103.34	404.80	7.21	-96.13
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)(C)C)C=C1C#N	REAL300000380355	0	41	-2.0	-108.18	374.36	7.03	-101.15
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000380356	0	42	-2.0	-102.28	390.96	6.56	-95.72
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000380357	0	45	-2.0	-124.10	402.84	7.18	-116.92
CC1=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C=C(C(=O)[O-])S1	REAL300000380358	0	38	-2.0	-113.80	363.34	6.10	-107.70
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000380359	0	38	-2.0	-102.53	366.70	6.78	-95.75
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000380360	0	38	-2.0	-104.42	358.18	6.26	-98.16
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000380361	0	35	-2.0	-106.71	345.90	5.34	-101.37
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000380362	0	38	-2.0	-108.26	360.05	6.28	-101.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)=C1F	REAL300000380363	0	41	-2.0	-115.58	379.38	6.92	-108.66
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000380364	0	38	-2.0	-104.53	359.11	6.29	-98.24
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000380365	0	38	-2.0	-102.47	366.15	6.62	-95.85
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)(C)C)C=C1C#N	REAL300000380366	0	41	-2.0	-109.79	383.10	7.42	-102.37
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000380367	0	38	-2.0	-106.38	364.46	6.31	-100.07
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000380368	0	40	-2.0	-102.40	381.83	6.88	-95.52
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000380369	0	38	-3.0	-215.72	359.80	4.82	-210.90
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000380369	1	39	-2.0	-115.92	363.36	3.94	-111.98
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000380370	0	41	-2.0	-107.88	375.81	7.00	-100.88
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C(C)(C)C)C=C1C#N	REAL300000380371	0	41	-2.0	-114.47	363.73	6.85	-107.62
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)=CC(C(=O)[O-])=C1F	REAL300000380372	0	41	-2.0	-116.26	378.49	6.87	-109.39
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C(C)(C)C)C=C1C#N	REAL300000380373	0	41	-2.0	-104.99	369.02	7.00	-97.99
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)=CC(C(=O)[O-])=C1C	REAL300000380374	0	44	-2.0	-122.10	390.46	7.39	-114.71
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000380375	0	40	-2.0	-115.53	380.22	7.31	-108.22
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000380376	0	38	-2.0	-105.97	365.40	6.34	-99.63
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C(C)=C1C(=O)[O-]	REAL300000380377	0	44	-2.0	-118.83	388.13	7.60	-111.23
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000380378	0	41	-2.0	-116.41	378.99	6.91	-109.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)=C1Cl	REAL300000380379	0	41	-2.0	-114.16	385.37	7.36	-106.80
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)=C1	REAL300000380380	0	41	-2.0	-123.27	378.69	6.90	-116.37
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000380381	0	44	-2.0	-119.38	387.95	7.41	-111.97
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C=C1CC(=O)[O-]	REAL300000380382	0	45	-2.0	-118.38	404.12	6.35	-112.03
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C(C)(C)C)C=C1C#N	REAL300000380383	0	41	-2.0	-107.55	379.91	7.39	-100.16
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)=CC(C(=O)[O-])=C1Cl	REAL300000380384	0	41	-2.0	-115.07	384.87	7.17	-107.90
CCN1C=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000380385	0	42	-2.0	-117.29	381.58	6.43	-110.86
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000380386	0	41	-2.0	-110.89	383.51	7.18	-103.71
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)=CC=C1C(=O)[O-]	REAL300000380387	0	41	-2.0	-105.14	369.63	6.76	-98.38
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)(C)C)C=C1C#N	REAL300000380388	0	41	-2.0	-115.00	373.15	7.07	-107.93
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000380389	0	40	-2.0	-125.57	377.40	8.08	-117.49
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000380390	0	38	-2.0	-122.37	357.31	6.25	-116.12
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000380391	0	41	-2.0	-109.16	374.81	6.79	-102.37
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000380392	0	44	-2.0	-125.85	394.69	8.34	-117.51
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000380393	0	37	-2.0	-113.58	350.63	4.28	-109.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C(C)(C)C)C=C1C#N	REAL300000380394	0	42	-2.0	-109.15	381.83	6.03	-103.12
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000380395	0	35	-2.0	-105.05	353.75	5.18	-99.87
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000380396	0	45	-2.0	-111.00	399.77	8.10	-102.90
CC(C)(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000380397	0	45	-2.0	-116.30	399.09	8.10	-108.20
CCC1=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000380398	0	41	-2.0	-110.55	375.75	6.22	-104.33
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1O	REAL300000380399	0	39	-2.0	-90.76	352.94	1.53	-89.23
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000380400	0	32	-2.0	-106.36	301.02	2.98	-103.38
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1O	REAL300000380401	0	40	-2.0	-107.66	356.11	4.03	-103.63
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=C1O	REAL300000380402	0	32	-2.0	-103.80	312.91	3.66	-100.14
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300000380403	0	32	-2.0	-97.22	296.47	2.95	-94.27
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1O	REAL300000380404	0	32	-2.0	-110.75	296.49	2.95	-107.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1O	REAL300000380405	0	36	-2.0	-116.06	324.61	2.74	-113.32
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=C1O	REAL300000380406	0	32	-2.0	-104.50	312.73	3.42	-101.08
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1O	REAL300000380407	0	36	-2.0	-96.88	327.93	4.24	-92.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000380408	0	35	-2.0	-110.27	312.51	3.48	-106.79
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1O	REAL300000380409	0	32	-2.0	-104.56	309.56	3.53	-101.03
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000380410	0	32	-2.0	-104.89	308.99	3.33	-101.56
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1O	REAL300000380411	0	32	-2.0	-100.14	322.06	3.90	-96.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)=C1C	REAL300000380412	0	38	-2.0	-111.50	329.60	4.27	-107.23
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1O	REAL300000380413	0	32	-2.0	-106.65	301.97	3.01	-103.64
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1O	REAL300000380414	0	38	-2.0	-96.20	340.06	4.53	-91.67
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1O	REAL300000380415	0	29	-2.0	-104.97	289.67	1.96	-103.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1O	REAL300000380416	0	35	-2.0	-111.56	311.92	3.72	-107.84
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1O	REAL300000380417	0	36	-2.0	-95.47	327.55	3.22	-92.25
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=C1O	REAL300000380418	0	43	-2.0	-92.24	373.33	3.99	-88.25
CC1=CC=CC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=C1O	REAL300000380419	0	29	-2.0	-101.40	306.70	2.73	-98.67
CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1O	REAL300000380420	0	33	-2.0	-108.89	303.14	2.29	-106.60
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1O	REAL300000380421	0	36	-2.0	-112.12	320.27	1.78	-110.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)=C1	REAL300000380422	0	32	-2.0	-99.88	305.59	2.62	-97.26
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000380423	0	38	-2.0	-112.87	327.93	4.26	-108.61
CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1O	REAL300000380424	0	29	-2.0	-105.02	288.14	1.98	-103.04
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)=CC(C(=O)[O-])=C1OC	REAL300000380425	0	40	-2.0	-109.52	354.82	2.76	-106.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000380426	0	36	-2.0	-116.68	323.78	3.01	-113.67
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1O	REAL300000380427	0	42	-2.0	-115.50	351.73	5.58	-109.92
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1O	REAL300000380428	0	41	-2.0	-111.82	350.39	4.96	-106.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1O	REAL300000380429	0	38	-2.0	-109.65	326.61	4.66	-104.99
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1O	REAL300000380430	0	39	-2.0	-115.17	346.92	3.50	-111.67
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000380431	0	34	-3.0	-185.61	324.89	3.51	-182.10
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000380431	1	35	-2.0	-110.76	324.89	3.46	-107.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1O	REAL300000380432	0	39	-2.0	-114.09	340.73	4.84	-109.25
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC=C2)C=C(C(=O)[O-])O1	REAL300000380433	0	32	-2.0	-104.29	299.49	2.09	-102.20
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1O	REAL300000380434	0	38	-2.0	-115.48	338.66	2.72	-112.76
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)=C1	REAL300000380435	0	36	-2.0	-110.09	325.40	2.02	-108.07
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1O	REAL300000380436	0	40	-2.0	-95.60	349.42	3.54	-92.06
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000380437	0	32	-2.0	-100.05	324.18	3.80	-96.25
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1O	REAL300000380438	0	32	-2.0	-101.14	314.09	3.53	-97.61
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1O	REAL300000380439	0	36	-2.0	-93.73	343.61	3.76	-89.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)=CC=C1OCC(=O)[O-]	REAL300000380440	0	39	-2.0	-95.90	347.66	3.94	-91.96
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1O	REAL300000380441	0	42	-2.0	-94.34	376.24	4.20	-90.14
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1O	REAL300000380442	0	35	-2.0	-100.33	317.21	3.76	-96.57
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)=CC=C1OCCCC(=O)[O-]	REAL300000380443	0	45	-2.0	-95.94	390.10	4.87	-91.07
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1O	REAL300000380444	0	36	-2.0	-94.59	333.81	3.30	-91.29
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)=C1O	REAL300000380445	0	42	-2.0	-94.05	386.05	4.68	-89.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000380446	0	39	-2.0	-115.55	345.64	3.92	-111.63
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC=C2)C=C(C(=O)[O-])S1	REAL300000380447	0	32	-2.0	-107.64	306.18	2.82	-104.82
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1O	REAL300000380448	0	32	-2.0	-98.45	324.72	3.97	-94.48
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1O	REAL300000380449	0	32	-2.0	-94.58	309.54	3.52	-91.06
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=C1O	REAL300000380450	0	32	-2.0	-93.93	312.89	3.65	-90.28
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1O	REAL300000380451	0	32	-2.0	-96.45	301.01	2.99	-93.46
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1O	REAL300000380452	0	29	-2.0	-98.82	288.74	2.07	-96.75
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1O	REAL300000380453	0	32	-2.0	-99.96	302.91	3.01	-96.95
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1O	REAL300000380454	0	35	-2.0	-108.17	322.24	3.64	-104.53
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000380455	0	36	-2.0	-99.25	336.80	3.58	-95.67
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1O	REAL300000380456	0	32	-2.0	-96.89	301.95	3.02	-93.87
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1O	REAL300000380457	0	32	-2.0	-94.62	308.98	3.35	-91.27
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1O	REAL300000380458	0	35	-2.0	-101.92	325.94	4.15	-97.77
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1O	REAL300000380459	0	40	-2.0	-93.50	360.22	4.36	-89.14
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=C1O	REAL300000380460	0	32	-2.0	-94.24	312.72	3.45	-90.79
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000380461	0	32	-2.0	-99.28	307.32	3.04	-96.24
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1O	REAL300000380462	0	34	-2.0	-95.25	324.68	3.61	-91.64
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1O	REAL300000380463	0	33	-2.0	-108.50	306.20	0.65	-107.85
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1O	REAL300000380464	0	35	-2.0	-101.85	318.67	3.72	-98.13
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000380465	0	32	-2.0	-100.78	317.21	3.48	-97.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1O	REAL300000380466	0	35	-2.0	-106.61	306.53	3.58	-103.03
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000380467	0	35	-2.0	-109.50	321.32	3.60	-105.90
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1O	REAL300000380468	0	35	-2.0	-96.95	311.91	3.73	-93.22
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)=CC(C(=O)[O-])=C1C	REAL300000380469	0	38	-2.0	-113.94	329.96	4.03	-109.91
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1O	REAL300000380470	0	34	-2.0	-106.90	323.04	4.04	-102.86
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1O	REAL300000380471	0	32	-2.0	-98.41	308.22	3.07	-95.34
CC1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=C1O	REAL300000380472	0	29	-2.0	-97.01	309.06	2.63	-94.38
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1O	REAL300000380473	0	38	-2.0	-109.74	330.01	4.35	-105.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000380474	0	35	-2.0	-107.82	317.96	3.55	-104.27
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1O	REAL300000380475	0	35	-2.0	-106.41	328.27	4.08	-102.33
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)=C1	REAL300000380476	0	35	-2.0	-115.83	321.52	3.64	-112.19
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000380477	0	38	-2.0	-110.96	330.82	4.14	-106.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)C=C1CC(=O)[O-]	REAL300000380478	0	39	-2.0	-110.96	346.97	3.08	-107.88
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1O	REAL300000380479	0	35	-2.0	-98.64	322.75	4.12	-94.52
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1O	REAL300000380480	0	35	-2.0	-93.83	326.60	3.76	-90.07
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000380481	0	35	-2.0	-108.37	327.71	3.89	-104.48
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=C1O	REAL300000380482	0	32	-2.0	-101.88	317.80	3.56	-98.32
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000380483	0	36	-2.0	-110.25	324.44	3.15	-107.10
CC1=CC=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1O	REAL300000380484	0	44	-2.0	-108.49	361.40	5.79	-102.70
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1O	REAL300000380485	0	32	-2.0	-97.66	322.10	3.49	-94.17
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=C1O	REAL300000380486	0	36	-2.0	-96.34	341.19	3.24	-93.10
CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000380487	0	35	-2.0	-102.60	326.35	3.90	-98.70
CC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1O	REAL300000380488	0	41	-2.0	-107.40	345.93	5.07	-102.33
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000380489	0	36	-2.0	-110.04	336.81	3.59	-106.45
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)=CC=C1C(=O)[O-]	REAL300000380490	0	35	-2.0	-97.37	312.49	3.49	-93.88
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1O	REAL300000380491	0	37	-2.0	-102.12	339.75	5.14	-96.98
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1O	REAL300000380492	0	35	-2.0	-106.80	316.44	3.76	-103.04
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1O	REAL300000380493	0	34	-2.0	-118.14	320.24	4.81	-113.33
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1O	REAL300000380494	0	32	-2.0	-114.98	300.13	2.97	-112.01
CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000380495	0	35	-2.0	-100.88	317.65	3.52	-97.36
CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1O	REAL300000380496	0	38	-2.0	-117.40	337.53	5.07	-112.33
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1O	REAL300000380497	0	31	-2.0	-107.10	293.48	1.01	-106.09
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1O	REAL300000380498	0	36	-2.0	-101.36	324.69	2.74	-98.62
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1O	REAL300000380499	0	29	-2.0	-97.91	296.59	1.91	-96.00
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=C1O	REAL300000380500	0	36	-2.0	-104.20	340.28	3.50	-100.70
CC1=CC=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=C1O	REAL300000380501	0	35	-2.0	-101.05	339.83	-0.02	-101.07
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1O	REAL300000380502	0	39	-2.0	-103.43	342.61	4.82	-98.61
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1O	REAL300000380503	0	39	-2.0	-107.49	340.57	4.81	-102.68
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2O)C=C(C(=O)[O-])O1	REAL300000380504	0	35	-2.0	-104.14	318.60	2.93	-101.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)=CC=C1F	REAL300000380505	1	39	-2.0	-102.40	355.58	4.25	-98.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)C=C1	REAL300000380506	1	39	-2.0	-92.98	351.03	4.23	-88.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)=CC=C1	REAL300000380507	1	39	-2.0	-104.65	351.05	4.22	-100.43
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)C=C1	REAL300000380508	1	43	-2.0	-92.54	382.50	5.51	-87.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)C=C1C(=O)[O-]	REAL300000380509	1	42	-2.0	-107.06	371.16	4.86	-102.20
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)=C1	REAL300000380510	0	39	-2.0	-101.51	356.52	4.27	-97.24
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)=C1	REAL300000380511	0	36	-2.0	-99.26	344.23	3.23	-96.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC(=O)CC2)C=C1	REAL300000380512	1	42	-2.0	-105.15	366.48	4.99	-100.16
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)C=C1C(=O)[O-]	REAL300000380513	0	40	-2.0	-103.22	357.72	3.57	-99.65
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)=C1	REAL300000380514	0	39	-2.0	-95.72	360.18	3.90	-91.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)=CS1	REAL300000380515	0	36	-2.0	-100.75	342.70	3.25	-97.50
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000380516	0	39	-2.0	-99.00	354.11	3.36	-95.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)C=C(C(=O)[O-])S1	REAL300000380517	0	39	-2.0	-102.05	359.65	4.11	-97.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)C=C1F	REAL300000380518	1	39	-2.0	-92.68	355.58	4.26	-88.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)S1	REAL300000380519	0	36	-2.0	-94.60	343.33	3.35	-91.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)=CC(F)=C1	REAL300000380520	1	39	-2.0	-95.77	357.45	4.29	-91.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)C(F)=C1	REAL300000380521	0	39	-2.0	-92.26	356.51	4.29	-87.97
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)=C1	REAL300000380522	0	40	-2.0	-104.03	360.76	1.92	-102.11
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=NNC(=O)CC3)C=C2)=C1	REAL300000380522	1	40	-2.0	-104.63	359.98	2.73	-101.90
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)C=C1	REAL300000380523	1	42	-2.0	-95.79	373.22	5.00	-90.79
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC(=O)CC2)C=C1	REAL300000380524	1	42	-2.0	-102.41	364.87	4.95	-97.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)C=C1C(=O)[O-]	REAL300000380526	0	43	-2.0	-104.46	379.09	4.44	-100.02
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300000380527	1	42	-2.0	-93.10	367.05	4.75	-88.35
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)=CC=C1	REAL300000380528	0	39	-2.0	-109.06	354.73	4.25	-104.81
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)=C1	REAL300000380529	0	38	-2.0	-102.28	347.26	2.34	-99.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)=C(Cl)O1	REAL300000380530	0	36	-2.0	-93.05	351.20	3.20	-89.85
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000380531	0	42	-2.0	-98.75	373.19	4.21	-94.54
CSC1=CC=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000380559	0	38	-2.0	-112.24	361.08	8.28	-103.96
CSC1=CC=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000380582	0	36	-2.0	-111.49	329.77	6.42	-105.07
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000380616	1	43	-2.0	-113.48	380.02	7.38	-106.10
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000380618	1	43	-2.0	-116.28	375.49	7.35	-108.93
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000380620	0	43	-2.0	-110.06	380.97	7.41	-102.65
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000380621	0	40	-2.0	-107.19	368.67	6.36	-100.83
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000380622	1	46	-2.0	-113.90	390.92	8.13	-105.77
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000380623	1	44	-2.0	-110.43	382.14	6.70	-103.73
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000380624	0	43	-2.0	-103.08	384.62	7.04	-96.04
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000380625	0	40	-2.0	-108.74	367.15	6.38	-102.36
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000380626	0	43	-2.0	-109.68	378.50	6.48	-103.20
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000380627	1	43	-2.0	-110.09	384.09	7.24	-102.85
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000380628	1	43	-2.0	-99.39	380.02	7.39	-92.00
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000380629	0	40	-2.0	-101.79	367.76	6.48	-95.31
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000380630	1	43	-2.0	-103.86	381.89	7.42	-96.44
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000380631	0	43	-2.0	-99.13	380.95	7.42	-91.71
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000380632	0	44	-2.0	-112.45	385.20	5.06	-107.39
COC(=O)C(C)(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000380632	1	44	-2.0	-113.49	384.40	5.85	-107.64
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000380633	1	46	-2.0	-103.20	397.66	8.13	-95.07
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000380634	1	46	-2.0	-110.64	389.31	8.09	-102.55
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000380636	1	47	-2.0	-111.68	403.51	7.57	-104.11
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000380638	0	43	-2.0	-117.96	379.11	7.37	-110.59
COC(=O)C(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000380639	0	42	-2.0	-109.82	371.70	5.46	-104.36
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000380640	0	46	-2.0	-105.26	397.62	7.33	-97.93
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000380641	0	32	-2.0	-102.04	323.77	2.17	-99.87
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000380642	0	32	-2.0	-94.99	319.23	2.14	-92.85
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000380643	0	32	-2.0	-109.05	319.24	2.13	-106.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(N)=O	REAL300000380644	0	36	-2.0	-108.78	347.37	1.95	-106.83
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000380645	0	36	-2.0	-94.01	350.70	3.43	-90.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000380646	0	35	-2.0	-110.29	335.26	2.67	-107.62
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000380647	0	32	-2.0	-99.89	332.31	2.71	-97.18
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000380648	0	32	-2.0	-105.06	331.76	2.53	-102.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)=C1C	REAL300000380649	0	38	-2.0	-106.09	351.91	3.49	-102.60
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000380650	0	32	-2.0	-101.86	324.70	2.20	-99.66
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000380651	0	38	-2.0	-93.73	362.82	3.73	-90.00
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000380652	0	29	-2.0	-99.76	312.43	1.15	-98.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(N)=O	REAL300000380653	0	35	-2.0	-104.07	334.67	2.92	-101.15
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000380654	0	36	-2.0	-93.08	350.31	2.42	-90.66
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000380655	0	33	-2.0	-103.34	325.89	1.48	-101.86
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(N)=O	REAL300000380656	0	36	-2.0	-104.75	343.02	0.97	-103.78
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)=C1	REAL300000380657	0	32	-2.0	-98.58	328.37	1.82	-96.76
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000380658	0	38	-2.0	-105.06	350.69	3.46	-101.60
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000380659	0	29	-2.0	-104.68	310.89	1.17	-103.51
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000380660	0	36	-2.0	-109.94	346.53	2.20	-107.74
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(N)=O	REAL300000380661	0	41	-2.0	-105.81	373.14	4.15	-101.66
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(N)=O	REAL300000380662	0	38	-2.0	-101.65	348.70	3.84	-97.81
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(N)=O	REAL300000380663	0	39	-2.0	-109.47	369.66	2.70	-106.77
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000380664	0	34	-3.0	-181.92	347.64	2.70	-179.22
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000380665	0	39	-2.0	-113.37	363.48	4.02	-109.35
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000380666	0	32	-2.0	-102.56	322.25	1.27	-101.29
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)=C1	REAL300000380667	0	36	-2.0	-111.00	348.16	1.23	-109.77
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)=CC=C1OCC(=O)[O-]	REAL300000380668	0	39	-2.0	-93.68	370.40	3.13	-90.55
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(N)=O	REAL300000380669	0	35	-2.0	-95.85	339.95	2.95	-92.90
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000380670	0	39	-2.0	-115.83	368.39	3.11	-112.72
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)C=C(C(=O)[O-])S1	REAL300000380671	0	32	-2.0	-101.16	328.93	2.02	-99.14
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000380672	0	32	-2.0	-92.29	332.29	2.70	-89.59
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000380673	0	32	-2.0	-95.10	323.75	2.18	-92.92
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000380674	0	29	-2.0	-95.83	311.50	1.26	-94.57
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000380675	0	32	-2.0	-99.80	325.66	2.20	-97.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)=C1F	REAL300000380676	0	35	-2.0	-105.99	344.98	2.83	-103.16
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000380677	0	32	-2.0	-93.74	324.70	2.21	-91.53
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000380678	0	32	-2.0	-92.89	331.73	2.54	-90.35
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000380679	0	32	-2.0	-94.58	330.06	2.23	-92.35
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000380680	0	34	-2.0	-90.94	347.43	2.81	-88.13
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000380681	0	33	-2.0	-102.78	328.96	-0.15	-102.93
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000380682	0	35	-2.0	-99.48	341.42	2.92	-96.56
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(N)=O	REAL300000380683	0	35	-2.0	-101.29	329.28	2.75	-98.54
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)=CC(C(=O)[O-])=C1F	REAL300000380684	0	35	-2.0	-108.37	344.08	2.79	-105.58
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(N)=O	REAL300000380685	0	35	-2.0	-94.41	334.65	2.91	-91.50
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)=CC(C(=O)[O-])=C1C	REAL300000380686	0	38	-2.0	-106.94	352.70	3.22	-103.72
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000380687	0	34	-2.0	-103.10	345.80	3.23	-99.87
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000380688	0	32	-2.0	-96.18	330.98	2.26	-93.92
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)C(C)=C1C(=O)[O-]	REAL300000380689	0	38	-2.0	-110.19	352.77	3.54	-106.65
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000380690	0	35	-2.0	-104.11	344.56	2.83	-101.28
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)=C1	REAL300000380691	0	35	-2.0	-115.21	344.27	2.83	-112.38
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000380692	0	38	-2.0	-111.02	353.56	3.32	-107.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)C=C1CC(=O)[O-]	REAL300000380693	0	39	-2.0	-109.23	369.71	2.27	-106.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000380694	0	36	-2.0	-108.47	347.19	2.35	-106.12
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)=CC=C1C(=O)[O-]	REAL300000380695	0	35	-2.0	-94.80	335.25	2.68	-92.12
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(N)=O	REAL300000380696	0	35	-2.0	-102.02	338.78	2.98	-99.04
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000380697	0	34	-2.0	-117.90	342.97	3.98	-113.92
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000380698	0	32	-2.0	-114.40	322.88	2.16	-112.24
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000380699	0	35	-2.0	-96.70	340.41	2.71	-93.99
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000380700	0	31	-2.0	-102.13	316.22	0.19	-101.94
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(N)=O	REAL300000380701	0	36	-2.0	-98.30	347.44	1.94	-96.36
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000380702	0	29	-2.0	-93.96	319.34	1.12	-92.84
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000380703	0	39	-2.0	-102.04	365.36	4.02	-98.02
NC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000380704	0	39	-2.0	-95.03	364.32	4.03	-91.00
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000380705	0	35	-2.0	-97.82	341.36	2.12	-95.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(Cl)C=C3)N=C2)C=C1	REAL300000380706	0	38	-2.0	-95.51	369.82	7.10	-88.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(Cl)C=C3)N=C2)=C1	REAL300000380707	0	38	-2.0	-107.60	369.84	7.09	-100.51
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(Cl)C=C3)N=C2)=C1	REAL300000380708	0	35	-2.0	-102.00	363.02	6.12	-95.88
CN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(Cl)C=C3)N=C2)C=C1C(=O)[O-]	REAL300000380709	0	39	-2.0	-106.04	376.48	6.46	-99.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(Cl)C=C3)N=C2)=CS1	REAL300000380710	0	35	-2.0	-103.41	361.49	6.13	-97.28
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(Cl)C=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000380711	0	38	-2.0	-102.34	372.85	6.25	-96.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(Cl)C=C3)N=C2)S1	REAL300000380712	0	35	-2.0	-97.12	362.11	6.22	-90.90
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(Cl)C=C3)N=C2)=C1	REAL300000380713	0	37	-2.0	-105.10	366.06	5.22	-99.88
CC(C)(C)OC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000380714	1	46	-2.0	-100.80	396.18	8.56	-92.24
CC(C)(C)OC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000380715	1	46	-2.0	-112.35	396.19	8.55	-103.80
CC(C)(C)OC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000380716	0	43	-2.0	-106.96	389.38	7.56	-99.40
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)OC(C)(C)C)C=C1C(=O)[O-]	REAL300000380717	0	47	-2.0	-110.78	402.85	7.89	-102.89
CC(C)(C)OC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000380718	0	43	-2.0	-108.09	387.85	7.58	-100.51
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CC(=O)OC(C)(C)C)C=C(C(=O)[O-])O1	REAL300000380719	0	46	-2.0	-105.45	398.16	7.65	-97.80
CC(C)(C)OC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000380720	0	43	-2.0	-103.45	388.45	7.68	-95.77
CC(C)(C)OC(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000380721	0	45	-2.0	-113.59	392.41	6.66	-106.93
CC(C)(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2S1	REAL300000380722	1	42	-2.0	-94.12	379.41	7.02	-87.10
CC(C)(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2S1	REAL300000380723	1	42	-2.0	-106.41	379.42	7.01	-99.40
CC(C)(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2S1	REAL300000380724	0	39	-2.0	-100.68	372.61	6.03	-94.65
CN1C=C(S(=O)(=O)[N-]C2=CC=C3N=C(C(C)(C)C)SC3=C2)C=C1C(=O)[O-]	REAL300000380725	0	43	-2.0	-104.78	386.07	6.36	-98.42
CC(C)(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2S1	REAL300000380726	0	39	-2.0	-102.15	371.07	6.05	-96.10
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C(C)(C)C)SC3=C2)C=C(C(=O)[O-])O1	REAL300000380727	0	42	-2.0	-100.22	382.43	6.15	-94.07
CC(C)(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2S1	REAL300000380728	0	39	-2.0	-95.73	371.69	6.15	-89.58
CC(C)(C)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2S1	REAL300000380729	0	41	-2.0	-103.12	376.42	5.07	-98.05
CN(C1=CC=C(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000380758	0	42	-2.0	-113.26	357.25	8.43	-104.83
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000380777	0	42	-2.0	-107.63	385.70	1.23	-106.40
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000380778	0	42	-2.0	-119.37	385.73	1.23	-118.14
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000380779	0	45	-2.0	-122.52	401.73	1.75	-120.77
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000380780	0	39	-2.0	-113.81	378.92	0.25	-113.56
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300000380781	0	45	-2.0	-120.98	401.14	2.01	-118.97
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000380782	0	43	-2.0	-117.95	392.37	0.59	-117.36
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000380783	0	39	-2.0	-115.17	377.38	0.26	-114.91
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=N1	REAL300000380784	0	42	-2.0	-113.92	388.74	0.37	-113.55
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000380785	0	39	-2.0	-109.62	378.00	0.35	-109.27
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000380786	0	43	-2.0	-120.51	395.42	-1.05	-121.56
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000380787	0	45	-2.0	-111.81	407.89	2.00	-109.81
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000380788	0	45	-2.0	-116.68	395.77	1.85	-114.83
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000380789	0	45	-2.0	-107.81	401.11	2.00	-105.81
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC(=O)NCCOC)N=C2)C=C1C(=O)[O-]	REAL300000380790	0	46	-2.0	-119.24	413.73	1.45	-117.79
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000380791	0	45	-2.0	-107.87	401.74	1.76	-106.11
COCCNC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000380792	0	41	-2.0	-117.25	381.93	-0.65	-117.90
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000380798	1	34	-2.0	-98.57	324.59	6.56	-92.01
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000380800	1	34	-2.0	-100.93	320.04	6.53	-94.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C)=C1	REAL300000380801	0	38	-2.0	-106.41	348.20	6.33	-100.08
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1C(F)(F)F	REAL300000380802	1	38	-2.0	-88.74	351.50	7.82	-80.92
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1C(F)(F)F	REAL300000380804	0	34	-2.0	-96.79	333.12	7.10	-89.69
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000380805	1	34	-2.0	-96.88	332.56	6.92	-89.96
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1C(F)(F)F	REAL300000380806	1	40	-2.0	-104.25	352.73	7.87	-96.38
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C(F)(F)F	REAL300000380807	0	34	-2.0	-98.21	325.53	6.59	-91.62
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C(F)(F)F	REAL300000380808	1	40	-2.0	-87.99	363.62	8.12	-79.87
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C(F)(F)F	REAL300000380809	0	31	-2.0	-95.32	313.24	5.54	-89.78
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C)=C1	REAL300000380810	1	37	-2.0	-102.14	335.49	7.31	-94.83
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000380812	1	35	-2.0	-99.39	326.70	5.88	-93.51
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C)=C2)=C1	REAL300000380814	0	34	-2.0	-91.62	329.17	6.22	-85.40
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000380816	0	31	-2.0	-96.76	311.69	5.56	-91.20
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C)=C1	REAL300000380818	1	40	-2.0	-100.74	350.20	8.24	-92.50
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1C(F)(F)F	REAL300000380819	1	41	-2.0	-106.17	364.32	8.42	-97.75
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000380820	0	34	-2.0	-95.37	323.06	5.66	-89.71
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C)=C2)=C1	REAL300000380821	0	38	-2.0	-101.98	349.04	5.62	-96.36
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C(F)(F)F	REAL300000380822	1	37	-2.0	-92.80	340.77	7.35	-85.45
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000380823	1	34	-2.0	-98.66	328.65	6.42	-92.24
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C(F)(F)F	REAL300000380824	0	34	-2.0	-86.57	333.10	7.09	-79.48
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(F)(F)F	REAL300000380825	1	34	-2.0	-88.53	324.58	6.57	-81.96
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C(F)(F)F	REAL300000380826	0	31	-2.0	-90.45	312.32	5.66	-84.79
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000380827	1	34	-2.0	-92.00	326.45	6.59	-85.41
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1C(F)(F)F	REAL300000380828	0	37	-2.0	-99.55	345.83	7.23	-92.32
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C(F)(F)F	REAL300000380829	0	34	-2.0	-88.19	325.51	6.60	-81.59
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C(F)(F)F	REAL300000380830	1	34	-2.0	-86.56	332.55	6.93	-79.63
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000380831	1	34	-2.0	-90.32	330.88	6.62	-83.70
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C(F)(F)F	REAL300000380832	0	35	-2.0	-101.16	329.77	4.23	-96.93
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C(F)(F)F	REAL300000380832	1	35	-2.0	-99.63	318.78	5.13	-94.50
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C(F)(F)F	REAL300000380833	1	37	-2.0	-92.48	342.22	7.31	-85.17
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C(F)(F)F	REAL300000380834	1	37	-2.0	-97.04	330.12	7.17	-89.87
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000380835	1	37	-2.0	-99.89	344.90	7.18	-92.71
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1C(F)(F)F	REAL300000380838	0	34	-2.0	-89.97	331.81	6.66	-83.31
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000380840	0	37	-2.0	-100.50	345.37	7.23	-93.27
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C)=C2)=C1	REAL300000380841	0	37	-2.0	-105.37	345.09	7.22	-98.15
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000380843	1	38	-2.0	-100.62	348.07	6.74	-93.88
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C(F)(F)F	REAL300000380846	0	34	-2.0	-104.73	323.71	6.56	-98.17
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000380847	1	37	-2.0	-93.61	344.99	7.21	-86.40
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C(F)(F)F	REAL300000380848	0	33	-2.0	-98.41	316.28	4.65	-93.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C)=C1	REAL300000380849	0	38	-2.0	-92.99	348.26	6.32	-86.67
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000380850	0	31	-2.0	-89.12	320.20	5.50	-83.62
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C(F)(F)F	REAL300000380851	1	41	-2.0	-95.57	366.18	8.42	-87.15
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C(F)(F)F	REAL300000380852	1	41	-2.0	-98.43	365.48	8.42	-90.01
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000380853	0	37	-2.0	-95.30	342.18	6.51	-88.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=CC=C1F	REAL300000380854	1	34	-2.0	-106.12	331.20	6.82	-99.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1	REAL300000380856	1	34	-2.0	-107.45	326.64	6.79	-100.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC(F)(F)F)=C1	REAL300000380857	0	38	-2.0	-113.06	354.80	6.58	-106.48
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C=C1	REAL300000380858	1	38	-2.0	-95.21	358.13	8.08	-87.13
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1	REAL300000380860	0	34	-2.0	-103.15	339.73	7.36	-95.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=CC=C1Cl	REAL300000380861	1	34	-2.0	-104.48	339.17	7.18	-97.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1C	REAL300000380862	1	40	-2.0	-110.51	359.34	8.13	-102.38
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1	REAL300000380863	0	34	-2.0	-105.06	332.13	6.85	-98.21
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C=C1	REAL300000380864	1	40	-2.0	-94.28	370.24	8.37	-85.91
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1	REAL300000380865	0	31	-2.0	-101.92	319.84	5.80	-96.12
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC(F)(F)F)=C1	REAL300000380866	1	37	-2.0	-108.34	342.09	7.57	-100.77
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000380868	1	35	-2.0	-106.00	333.30	6.14	-99.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1	REAL300000380870	0	34	-2.0	-98.77	335.77	6.46	-92.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=CS1	REAL300000380872	0	31	-2.0	-103.29	318.29	5.82	-97.47
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC(F)(F)F)=C1	REAL300000380874	1	40	-2.0	-106.62	356.83	8.51	-98.11
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1	REAL300000380875	1	41	-2.0	-112.56	370.90	8.69	-103.87
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000380876	0	34	-2.0	-101.49	329.69	5.93	-95.56
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1	REAL300000380877	0	38	-2.0	-109.80	355.57	5.88	-103.92
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC(F)(F)F)=C1	REAL300000380878	1	37	-2.0	-98.92	347.37	7.61	-91.31
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000380879	1	34	-2.0	-104.63	336.35	6.67	-97.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C(Cl)=C1	REAL300000380880	0	34	-2.0	-93.08	339.71	7.35	-85.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C=C1F	REAL300000380881	1	34	-2.0	-94.86	331.18	6.83	-88.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)S1	REAL300000380882	0	31	-2.0	-97.46	318.93	5.91	-91.55
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1	REAL300000380883	1	34	-2.0	-98.41	333.07	6.86	-91.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1F	REAL300000380884	0	37	-2.0	-106.50	352.41	7.48	-99.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C(F)=C1	REAL300000380885	0	34	-2.0	-95.16	332.12	6.86	-88.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C=C1Cl	REAL300000380886	1	34	-2.0	-93.00	339.16	7.19	-85.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=CC(F)=C1F	REAL300000380887	1	34	-2.0	-96.51	337.49	6.88	-89.63
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1	REAL300000380888	0	35	-2.0	-107.39	336.37	4.49	-102.90
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(CC(F)(F)F)=C2)=C1	REAL300000380888	1	35	-2.0	-104.09	335.56	5.29	-98.80
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C=C1	REAL300000380889	1	37	-2.0	-99.16	348.84	7.57	-91.59
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(F)(F)F)=C1	REAL300000380890	1	37	-2.0	-104.73	336.73	7.43	-97.30
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000380891	1	37	-2.0	-106.21	351.51	7.44	-98.77
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1	REAL300000380894	0	34	-2.0	-96.72	338.41	6.92	-89.80
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000380896	0	37	-2.0	-107.33	351.98	7.48	-99.85
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1	REAL300000380897	0	37	-2.0	-113.74	351.69	7.48	-106.26
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000380898	1	40	-2.0	-110.70	360.94	7.97	-102.73
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000380899	1	38	-2.0	-107.27	354.68	7.01	-100.26
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1F	REAL300000380902	0	34	-2.0	-112.95	330.32	6.82	-106.13
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000380903	1	37	-2.0	-101.30	351.60	7.46	-93.84
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C1	REAL300000380904	0	33	-2.0	-105.41	322.87	4.92	-100.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC(F)(F)F)=C1	REAL300000380905	0	38	-2.0	-99.73	354.85	6.60	-93.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)=C(Cl)O1	REAL300000380906	0	31	-2.0	-95.54	326.80	5.77	-89.77
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CC(F)(F)F)=C3)C=C2)CC1	REAL300000380907	1	41	-2.0	-101.82	372.78	8.67	-93.15
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CC(F)(F)F)=C3)C=C2C1	REAL300000380908	1	41	-2.0	-105.37	372.12	8.67	-96.70
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000380909	0	37	-2.0	-101.27	348.79	6.77	-94.50
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000380910	0	34	-2.0	-104.81	333.51	5.92	-98.89
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000380911	0	34	-2.0	-94.95	328.96	5.90	-89.05
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000380912	0	34	-2.0	-107.34	328.97	5.89	-101.45
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000380913	0	38	-2.0	-112.34	357.12	5.69	-106.65
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000380914	0	38	-2.0	-94.36	360.44	7.18	-87.18
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000380915	0	37	-2.0	-108.47	344.99	6.41	-102.06
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000380916	0	34	-2.0	-102.62	342.04	6.47	-96.15
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000380917	0	34	-2.0	-103.21	341.48	6.28	-96.93
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000380918	0	40	-2.0	-109.56	362.08	7.22	-102.34
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000380919	0	34	-2.0	-104.43	334.44	5.94	-98.49
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000380920	0	40	-2.0	-93.58	372.55	7.47	-86.11
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000380921	0	31	-2.0	-101.70	322.16	4.91	-96.79
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000380922	0	37	-2.0	-107.67	344.41	6.66	-101.01
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000380923	0	38	-2.0	-93.04	360.05	6.17	-86.87
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000380924	0	35	-2.0	-105.76	335.62	5.24	-100.52
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000380925	1	38	-2.0	-108.37	352.76	4.73	-103.64
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000380926	0	34	-2.0	-97.89	338.09	5.57	-92.32
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000380927	0	40	-2.0	-110.32	364.43	7.30	-103.02
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000380928	0	31	-2.0	-103.06	320.62	4.92	-98.14
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000380929	0	38	-2.0	-113.18	356.26	5.96	-107.22
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000380930	0	43	-2.0	-109.89	382.87	7.90	-101.99
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000380931	0	40	-2.0	-105.63	359.10	7.61	-98.02
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000380932	0	41	-2.0	-112.98	379.41	6.46	-106.52
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000380933	0	36	-3.0	-182.49	357.38	6.46	-176.03
C#CCOC1=CC(F)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000380933	1	37	-2.0	-108.79	357.42	6.40	-102.39
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000380934	0	41	-2.0	-112.00	373.22	7.79	-104.21
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000380935	0	34	-2.0	-101.01	331.98	5.03	-95.98
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000380936	0	38	-2.0	-108.61	357.90	4.98	-103.63
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000380937	0	41	-2.0	-93.47	380.13	6.87	-86.60
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000380938	0	37	-2.0	-98.48	349.69	6.70	-91.78
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000380939	0	38	-2.0	-92.58	366.26	6.24	-86.34
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000380940	0	41	-2.0	-113.78	378.11	6.87	-106.91
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000380941	0	34	-2.0	-104.14	338.67	5.76	-98.38
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000380942	0	34	-2.0	-92.49	342.02	6.46	-86.03
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000380943	0	34	-2.0	-94.49	333.51	5.92	-88.57
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000380944	0	31	-2.0	-96.64	321.24	5.01	-91.63
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000380945	0	34	-2.0	-98.27	335.39	5.95	-92.32
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000380946	0	37	-2.0	-105.85	354.73	6.59	-99.26
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000380947	0	34	-2.0	-94.45	334.44	5.96	-88.49
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000380948	0	34	-2.0	-92.54	341.48	6.29	-86.25
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000380949	0	37	-2.0	-100.12	358.42	7.08	-93.04
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000380950	0	34	-2.0	-96.50	339.79	5.98	-90.52
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000380951	0	36	-2.0	-92.45	357.16	6.56	-85.89
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000380952	0	35	-2.0	-106.37	338.69	3.58	-102.79
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000380953	0	37	-2.0	-98.29	351.15	6.67	-91.62
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000380954	0	37	-2.0	-103.64	339.01	6.53	-97.11
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000380955	0	37	-2.0	-106.18	353.81	6.54	-99.64
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000380956	0	37	-2.0	-94.96	344.39	6.66	-88.30
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000380957	0	40	-2.0	-110.43	361.85	6.95	-103.48
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000380958	0	36	-2.0	-105.68	355.55	6.98	-98.70
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000380959	0	34	-2.0	-96.23	340.71	6.02	-90.21
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000380960	0	40	-2.0	-108.06	362.51	7.29	-100.77
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000380961	0	37	-2.0	-106.68	354.29	6.58	-100.10
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000380962	0	37	-2.0	-104.44	360.76	7.03	-97.41
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000380963	0	37	-2.0	-112.42	354.01	6.57	-105.85
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000380964	0	40	-2.0	-109.21	362.94	7.07	-102.14
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000380965	0	41	-2.0	-109.75	379.44	6.02	-103.73
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000380966	0	37	-2.0	-96.97	355.24	7.07	-89.90
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000380967	0	37	-2.0	-104.94	360.19	6.85	-98.09
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000380968	0	38	-2.0	-106.97	357.00	6.10	-100.87
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000380969	0	37	-2.0	-100.85	358.84	6.86	-93.99
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000380970	0	37	-2.0	-96.62	349.04	6.53	-90.09
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000380971	0	37	-2.0	-105.11	348.93	6.71	-98.40
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000380972	0	36	-2.0	-114.64	352.72	7.73	-106.91
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000380973	0	34	-2.0	-111.61	332.63	5.92	-105.69
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000380974	0	37	-2.0	-99.08	350.14	6.46	-92.62
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000380975	0	40	-2.0	-115.56	370.01	8.01	-107.55
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000380976	0	33	-2.0	-105.10	325.18	4.00	-101.10
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000380977	0	38	-2.0	-99.03	357.17	5.69	-93.34
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000380978	0	31	-2.0	-95.20	329.07	4.85	-90.35
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000380979	0	41	-2.0	-101.31	375.10	7.77	-93.54
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000380980	0	41	-2.0	-104.06	373.06	7.75	-96.31
C#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000380981	0	37	-2.0	-100.66	351.09	5.89	-94.77
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000380982	0	34	-2.0	-110.19	333.50	5.90	-104.29
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000380983	0	34	-2.0	-99.97	328.95	5.88	-94.09
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000380984	0	34	-2.0	-112.96	328.96	5.88	-107.08
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000380985	0	38	-2.0	-118.48	357.10	5.68	-112.80
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000380986	0	38	-2.0	-99.25	360.41	7.17	-92.08
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000380987	0	37	-2.0	-114.24	344.97	6.41	-107.83
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000380988	0	34	-2.0	-108.42	342.03	6.44	-101.98
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000380989	0	34	-2.0	-108.57	341.47	6.27	-102.30
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000380990	0	40	-2.0	-115.96	361.62	7.22	-108.74
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000380991	0	34	-2.0	-110.44	334.42	5.94	-104.50
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000380992	0	40	-2.0	-98.77	372.54	7.46	-91.31
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000380993	0	31	-2.0	-107.01	322.14	4.90	-102.11
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000380994	0	37	-2.0	-113.65	344.39	6.66	-106.99
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000380995	0	38	-2.0	-97.92	360.02	6.16	-91.76
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000380996	0	35	-2.0	-111.12	335.60	5.23	-105.89
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000380997	0	38	-2.0	-114.27	352.74	4.72	-109.55
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000380998	0	34	-2.0	-103.14	338.06	5.56	-97.58
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000380999	0	40	-2.0	-114.99	360.41	7.19	-107.80
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000381000	0	31	-2.0	-108.43	320.61	4.91	-103.52
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000381001	0	38	-2.0	-118.76	356.24	5.95	-112.81
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000381002	0	43	-2.0	-115.99	382.86	7.89	-108.10
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000381003	0	40	-2.0	-111.56	359.08	7.60	-103.96
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000381004	0	41	-2.0	-118.89	379.38	6.44	-112.45
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000381005	0	36	-3.0	-188.91	357.36	6.45	-182.46
C#CCOC1=CC=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000381005	1	37	-2.0	-112.21	357.40	6.40	-105.81
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000381006	0	41	-2.0	-118.19	373.20	7.78	-110.41
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000381007	0	34	-2.0	-106.49	331.96	5.02	-101.47
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000381008	0	38	-2.0	-113.75	357.88	4.97	-108.78
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000381009	0	41	-2.0	-98.42	380.11	6.86	-91.56
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000381010	0	37	-2.0	-104.08	349.67	6.69	-97.39
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000381011	0	38	-2.0	-97.29	366.26	6.22	-91.07
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000381012	0	41	-2.0	-119.41	378.11	6.86	-112.55
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000381013	0	34	-2.0	-109.81	338.65	5.76	-104.05
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000381014	0	34	-2.0	-97.37	342.01	6.45	-90.92
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000381015	0	34	-2.0	-99.33	333.48	5.92	-93.41
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000381016	0	31	-2.0	-101.88	321.21	5.00	-96.88
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000381017	0	34	-2.0	-103.56	335.37	5.94	-97.62
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000381018	0	37	-2.0	-111.91	354.70	6.58	-105.33
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000381019	0	34	-2.0	-99.49	334.42	5.95	-93.54
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000381020	0	34	-2.0	-97.51	341.45	6.28	-91.23
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000381021	0	37	-2.0	-105.76	358.40	7.07	-98.69
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000381022	0	34	-2.0	-101.52	339.78	5.97	-95.55
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000381023	0	36	-2.0	-97.66	357.15	6.54	-91.12
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000381024	0	35	-2.0	-112.42	338.67	3.57	-108.85
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000381025	0	37	-2.0	-103.96	351.14	6.66	-97.30
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000381026	0	37	-2.0	-108.80	338.99	6.51	-102.29
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000381027	0	37	-2.0	-111.59	353.79	6.52	-105.07
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000381028	0	37	-2.0	-99.96	344.37	6.65	-93.31
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000381029	0	40	-2.0	-116.14	362.42	6.96	-109.18
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000381030	0	36	-2.0	-110.66	355.53	6.96	-103.70
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000381031	0	34	-2.0	-101.89	340.69	6.01	-95.88
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000381032	0	40	-2.0	-113.25	362.49	7.29	-105.96
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000381033	0	37	-2.0	-112.83	354.27	6.57	-106.26
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000381034	0	37	-2.0	-110.26	360.74	7.02	-103.24
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000381035	0	37	-2.0	-117.77	353.99	6.56	-111.21
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000381036	0	40	-2.0	-114.88	363.27	7.06	-107.82
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000381037	0	41	-2.0	-114.60	379.43	6.00	-108.60
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000381038	0	37	-2.0	-102.04	355.22	7.07	-94.97
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000381039	0	37	-2.0	-110.45	360.18	6.83	-103.62
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000381040	0	38	-2.0	-112.44	356.89	6.09	-106.35
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000381041	0	37	-2.0	-107.36	362.73	6.94	-100.42
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000381042	0	37	-2.0	-100.15	344.96	6.42	-93.73
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000381043	0	37	-2.0	-111.12	348.49	6.72	-104.40
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000381044	0	36	-2.0	-120.00	352.68	7.73	-112.27
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000381045	0	34	-2.0	-116.97	332.59	5.91	-111.06
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000381046	0	37	-2.0	-105.50	353.91	6.55	-98.95
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000381047	0	40	-2.0	-121.39	370.00	8.00	-113.39
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000381048	0	33	-2.0	-110.26	325.93	3.94	-106.32
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000381049	0	38	-2.0	-104.24	357.16	5.68	-98.56
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000381050	0	31	-2.0	-100.36	329.05	4.86	-95.50
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000381051	0	41	-2.0	-106.64	375.08	7.77	-98.87
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000381052	0	41	-2.0	-109.21	373.04	7.74	-101.47
C#CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000381053	0	37	-2.0	-106.12	351.07	5.87	-100.25
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C2N(C)C1=O	REAL300000381070	0	43	-2.0	-113.83	363.51	5.45	-108.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Br)=C2)C=C1	REAL300000381084	0	32	-2.0	-99.90	327.60	4.49	-95.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Br)=C2)=C1	REAL300000381085	0	32	-2.0	-111.60	327.61	4.48	-107.12
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000381086	1	36	-2.0	-101.14	353.16	6.37	-94.77
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC([N+](=O)[O-])=C1	REAL300000381087	1	36	-2.0	-91.54	348.62	6.35	-85.19
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000381088	0	36	-2.0	-103.44	348.63	6.34	-97.10
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000381089	1	39	-2.0	-104.50	364.65	6.87	-97.63
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC([N+](=O)[O-])=C1	REAL300000381090	0	36	-2.0	-101.02	354.11	6.40	-94.62
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC([N+](=O)[O-])=C1	REAL300000381091	0	33	-2.0	-97.92	341.82	5.35	-92.57
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC([N+](=O)[O-])=C1	REAL300000381092	1	39	-2.0	-105.26	364.07	7.12	-98.14
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000381093	0	37	-2.0	-101.80	355.28	5.69	-96.11
COC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000381094	0	33	-2.0	-99.35	340.28	5.38	-93.97
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000381095	0	36	-2.0	-98.22	351.64	5.48	-92.74
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC([N+](=O)[O-])=C1	REAL300000381096	0	36	-2.0	-91.20	353.16	6.38	-84.82
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC([N+](=O)[O-])=C1	REAL300000381097	0	33	-2.0	-93.06	340.90	5.47	-87.59
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000381098	0	36	-2.0	-94.53	355.03	6.41	-88.12
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC([N+](=O)[O-])=C1	REAL300000381099	0	36	-2.0	-90.67	354.09	6.41	-84.26
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC([N+](=O)[O-])=C1	REAL300000381100	0	37	-2.0	-104.32	358.35	4.04	-100.28
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC([N+](=O)[O-])=C1	REAL300000381101	0	39	-2.0	-95.19	370.80	7.12	-88.07
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC([N+](=O)[O-])=C1	REAL300000381102	1	39	-2.0	-99.50	358.68	6.98	-92.52
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC([N+](=O)[O-])=C1	REAL300000381103	1	39	-2.0	-92.04	364.04	7.11	-84.93
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381104	0	40	-2.0	-103.06	376.65	6.56	-96.50
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC([N+](=O)[O-])=C1	REAL300000381105	1	39	-2.0	-91.60	364.64	6.88	-84.72
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC([N+](=O)[O-])=C1	REAL300000381106	0	36	-2.0	-106.97	352.29	6.37	-100.60
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC([N+](=O)[O-])=C1	REAL300000381107	0	35	-2.0	-101.06	344.85	4.46	-96.60
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=CC([N+](=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000381108	0	39	-2.0	-98.27	370.76	6.33	-91.94
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381109	1	40	-2.0	-113.46	351.88	6.98	-106.48
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381110	1	37	-2.0	-114.70	336.44	6.20	-108.50
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1C(=O)[O-]	REAL300000381113	0	31	-2.0	-118.90	290.18	5.82	-113.08
CC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381114	0	34	-2.0	-99.64	317.59	5.26	-94.38
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000381115	0	30	-2.0	-101.99	293.51	4.18	-97.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000381116	1	32	-2.0	-109.52	306.58	6.04	-103.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C=C1C(=O)[O-]	REAL300000381117	1	32	-2.0	-103.84	302.50	5.94	-97.90
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1C(=O)[O-]	REAL300000381118	0	31	-2.0	-108.35	303.89	6.13	-102.22
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000381119	0	34	-2.0	-107.14	324.27	7.46	-99.68
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=C1C(=O)[O-]	REAL300000381120	0	32	-2.0	-119.59	299.78	5.81	-113.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(C)=C2)C=C1C(=O)[O-]	REAL300000381121	1	34	-2.0	-105.96	321.19	6.73	-99.23
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C=C1C(=O)[O-]	REAL300000381123	0	31	-2.0	-113.22	302.22	6.34	-106.88
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000381126	0	41	-2.0	-101.17	373.12	4.79	-96.38
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000381126	1	40	-3.0	-161.62	370.65	4.80	-156.82
CC1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381127	0	34	-2.0	-109.15	317.12	6.14	-103.01
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000381129	0	35	-2.0	-108.40	331.00	7.63	-100.77
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381131	1	36	-2.0	-109.47	328.75	6.87	-102.60
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381132	0	41	-3.0	-179.31	373.82	7.29	-172.02
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381132	1	42	-2.0	-105.83	375.78	7.31	-98.52
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381133	0	34	-2.0	-106.58	297.87	3.38	-103.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C=C1C(=O)[O-]	REAL300000381134	0	28	-2.0	-103.98	295.27	5.28	-98.70
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C(Cl)=CC(C)=C2Cl)C=C1C(=O)[O-]	REAL300000381135	0	37	-2.0	-108.18	341.22	8.03	-100.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000381138	1	34	-2.0	-104.90	324.46	6.66	-98.24
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000381140	0	34	-2.0	-106.51	316.64	6.21	-100.30
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381141	0	39	-2.0	-120.92	343.47	4.71	-116.21
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381144	0	33	-2.0	-101.82	294.84	4.51	-97.31
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000381145	1	31	-2.0	-102.53	313.61	6.53	-96.00
CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381146	0	34	-2.0	-107.96	312.59	6.11	-101.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381146	1	33	-3.0	-181.30	310.12	6.11	-175.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000381147	1	31	-2.0	-101.59	294.39	5.67	-95.92
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000381148	0	31	-2.0	-107.48	311.52	6.63	-100.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000381149	1	34	-2.0	-107.60	320.39	6.55	-101.05
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381150	1	34	-2.0	-112.39	303.06	6.21	-106.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000381152	0	34	-2.0	-114.80	307.54	6.94	-107.86
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000381153	1	34	-2.0	-101.90	333.58	6.96	-94.94
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000381154	1	31	-2.0	-107.98	298.39	6.07	-101.91
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000381155	0	34	-2.0	-108.18	337.61	7.20	-100.98
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000381156	1	36	-2.0	-111.65	326.97	6.06	-105.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000381159	1	31	-2.0	-101.80	304.28	6.12	-95.68
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381160	1	36	-2.0	-120.96	322.15	5.93	-115.03
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381162	0	37	-2.0	-124.69	326.89	6.93	-117.76
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000381163	1	40	-2.0	-107.59	362.36	7.24	-100.35
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C1C(=O)[O-]	REAL300000381164	0	31	-2.0	-109.81	309.99	6.57	-103.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000381165	1	37	-2.0	-108.92	337.19	6.29	-102.63
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000381169	1	42	-2.0	-113.00	381.23	3.65	-109.35
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381170	0	37	-3.0	-186.48	342.34	6.00	-180.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381170	1	38	-2.0	-104.66	325.25	5.69	-98.97
CC1=CC=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000381171	0	38	-2.0	-105.79	348.11	7.50	-98.29
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300000381172	0	31	-2.0	-112.43	305.28	6.86	-105.57
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1C(=O)[O-]	REAL300000381173	0	28	-2.0	-103.83	290.64	5.17	-98.66
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381175	0	35	-2.0	-118.26	309.91	5.34	-112.92
CC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381176	0	37	-2.0	-108.70	328.79	6.65	-102.05
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381177	0	42	-2.0	-120.01	368.99	4.33	-115.68
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1C(=O)[O-]	REAL300000381178	0	31	-2.0	-106.64	299.72	5.74	-100.90
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000381179	1	31	-2.0	-102.83	315.12	6.58	-96.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1C(=O)[O-]	REAL300000381180	0	31	-2.0	-114.02	298.86	6.21	-107.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000381181	1	31	-2.0	-107.99	302.95	6.17	-101.82
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381182	1	33	-2.0	-108.55	309.88	6.22	-102.33
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)C=C1C(=O)[O-]	REAL300000381183	1	36	-2.0	-106.79	325.37	6.99	-99.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381184	1	33	-2.0	-102.59	322.35	6.60	-95.99
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000381186	0	33	-2.0	-124.47	300.06	6.93	-117.54
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C(=O)[O-]	REAL300000381187	0	33	-3.0	-174.83	323.19	6.68	-168.15
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C(=O)[O-]	REAL300000381187	1	34	-2.0	-100.44	329.56	6.74	-93.70
CC1=CC=C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381188	0	34	-2.0	-106.00	325.10	6.51	-99.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381188	1	33	-3.0	-176.91	322.65	6.50	-170.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000381191	0	31	-2.0	-107.61	293.57	5.68	-101.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300000381192	1	31	-2.0	-108.16	288.06	5.62	-102.54
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000381193	1	31	-2.0	-102.11	294.48	5.68	-96.43
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1C(=O)[O-]	REAL300000381198	1	31	-2.0	-106.46	302.46	6.17	-100.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C=C1C(=O)[O-]	REAL300000381199	1	31	-2.0	-106.44	307.02	6.28	-100.16
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000381200	1	33	-2.0	-101.33	313.95	6.32	-95.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381202	0	31	-2.0	-110.58	295.49	5.35	-105.23
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C(=O)[O-]	REAL300000381204	0	40	-2.0	-106.33	344.53	7.44	-98.89
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381205	0	35	-2.0	-111.24	326.66	5.86	-105.38
CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC=C2C)C=C1C(=O)[O-]	REAL300000381206	1	34	-2.0	-107.24	318.44	6.95	-100.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000381207	0	33	-2.0	-114.40	319.51	7.48	-106.92
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000381208	0	33	-3.0	-176.78	315.60	6.17	-170.61
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000381208	1	34	-2.0	-100.78	322.13	6.24	-94.54
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=C1C(=O)[O-]	REAL300000381209	0	28	-2.0	-102.63	304.50	5.70	-96.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000381211	1	36	-2.0	-107.53	320.02	6.82	-100.71
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1C(=O)[O-]	REAL300000381212	0	31	-2.0	-110.49	293.57	5.68	-104.81
CC1=CC=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000381213	0	40	-2.0	-99.96	356.19	7.69	-92.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000381213	1	39	-3.0	-166.51	357.76	7.80	-158.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000381215	1	35	-2.0	-106.97	317.42	2.37	-104.60
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(=O)[O-]	REAL300000381222	0	30	-3.0	-174.21	303.31	5.12	-169.09
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1C(=O)[O-]	REAL300000381223	1	34	-2.0	-106.56	313.42	3.05	-103.51
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C(=O)[O-]	REAL300000381225	0	37	-2.0	-104.91	327.55	6.90	-98.01
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381226	0	37	-2.0	-110.00	319.27	4.62	-105.38
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381227	1	39	-2.0	-115.63	358.30	1.72	-113.91
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)C=C1C(=O)[O-]	REAL300000381228	1	39	-2.0	-108.53	346.74	7.66	-100.87
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000381230	1	37	-2.0	-107.89	340.50	6.32	-101.57
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000381231	1	38	-2.0	-112.13	342.16	3.93	-108.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000381232	1	36	-2.0	-113.59	339.91	0.61	-112.98
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381236	0	40	-2.0	-123.57	353.84	7.21	-116.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000381237	1	35	-2.0	-112.09	320.23	2.43	-109.66
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000381240	1	37	-2.0	-114.50	327.60	7.83	-106.67
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=CS1	REAL300000381241	0	34	-2.0	-121.01	321.25	5.86	-115.15
CC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000381244	0	38	-2.0	-104.00	347.73	6.48	-97.52
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C=C1C(=O)[O-]	REAL300000381246	1	42	-2.0	-113.15	365.87	9.67	-103.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1C(=O)[O-]	REAL300000381249	0	31	-2.0	-117.55	291.23	5.71	-111.84
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)C=C1C(=O)[O-]	REAL300000381251	0	36	-2.0	-108.03	336.79	4.55	-103.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C1C(=O)[O-]	REAL300000381252	1	36	-2.0	-107.42	324.05	6.07	-101.35
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381253	0	37	-2.0	-124.34	334.51	4.13	-120.21
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)=C2N=C1	REAL300000381254	0	39	-2.0	-128.11	342.98	6.82	-121.29
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000381256	1	34	-2.0	-112.40	316.22	6.78	-105.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C=C1C(=O)[O-]	REAL300000381257	0	35	-2.0	-114.02	326.40	5.83	-108.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000381259	1	36	-2.0	-116.68	335.93	0.51	-116.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000381261	0	37	-2.0	-119.43	332.25	6.26	-113.17
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000381262	1	37	-2.0	-106.98	338.21	2.54	-104.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000381263	1	38	-2.0	-105.30	347.28	4.81	-100.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)C=C1C(=O)[O-]	REAL300000381265	1	37	-2.0	-108.01	335.77	5.51	-102.50
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000381266	1	35	-2.0	-107.35	331.73	5.43	-101.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000381267	1	37	-2.0	-118.18	346.43	3.18	-115.00
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000381269	1	39	-2.0	-113.32	362.34	1.82	-111.50
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000381270	1	41	-2.0	-114.54	351.38	9.41	-105.13
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1C(=O)[O-]	REAL300000381271	0	31	-2.0	-104.63	301.19	6.18	-98.45
CC1=CC=C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000381272	1	43	-2.0	-118.02	367.59	4.88	-113.14
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(F)=C1	REAL300000381273	0	38	-2.0	-123.75	343.05	4.52	-119.23
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000381274	1	37	-2.0	-120.33	342.39	3.07	-117.26
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)C=C1C(=O)[O-]	REAL300000381275	1	40	-2.0	-112.49	355.86	8.25	-104.24
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000381276	1	42	-2.0	-116.29	377.29	3.55	-112.74
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000381278	0	39	-2.0	-111.98	345.88	4.82	-107.16
CC1=CC=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381280	0	35	-2.0	-108.15	319.25	5.45	-102.70
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381280	1	34	-3.0	-180.55	320.84	5.57	-174.98
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C=C1C(=O)[O-]	REAL300000381281	0	31	-2.0	-117.93	299.12	5.11	-112.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(Br)=C1	REAL300000381282	1	34	-2.0	-111.56	319.57	6.92	-104.64
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000381283	0	36	-2.0	-109.60	323.98	1.70	-107.90
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1C(=O)[O-]	REAL300000381284	0	38	-2.0	-105.51	336.18	4.93	-100.58
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381285	0	37	-2.0	-112.95	349.52	6.77	-106.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000381293	1	47	-2.0	-117.01	390.89	8.77	-108.24
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000381294	1	36	-2.0	-99.36	325.37	6.99	-92.37
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CN1C	REAL300000381296	0	39	-2.0	-110.16	345.92	3.19	-106.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)C=C1C(=O)[O-]	REAL300000381297	1	34	-2.0	-107.33	313.87	6.84	-100.49
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=N2)C=C1	REAL300000381299	0	41	-2.0	-109.63	363.63	7.34	-102.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)C=C1C(=O)[O-]	REAL300000381303	1	39	-2.0	-110.60	345.20	5.40	-105.20
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381304	0	33	-3.0	-171.10	323.31	5.89	-165.21
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000381305	1	32	-2.0	-100.82	317.86	6.35	-94.47
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000381306	1	32	-2.0	-101.54	317.89	6.36	-95.18
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1C(=O)[O-]	REAL300000381307	0	40	-2.0	-104.24	344.16	7.42	-96.82
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000381308	1	35	-2.0	-116.01	320.02	5.92	-110.09
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C2=CC=CN=C12	REAL300000381309	1	40	-2.0	-113.68	346.97	5.34	-108.34
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000381311	0	31	-2.0	-113.13	303.34	6.11	-107.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Br)C=C1C(=O)[O-]	REAL300000381312	1	31	-2.0	-103.87	304.54	6.31	-97.56
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381314	0	37	-2.0	-105.57	338.15	6.01	-99.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000381315	1	41	-2.0	-117.27	351.03	7.21	-110.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000381316	1	34	-2.0	-108.60	308.38	6.26	-102.34
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000381318	0	31	-2.0	-104.44	322.01	7.37	-97.07
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381319	0	34	-2.0	-117.77	312.65	6.37	-111.40
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)C=C1C(=O)[O-]	REAL300000381320	1	34	-2.0	-107.39	303.54	6.39	-101.00
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000381322	0	36	-2.0	-125.24	315.06	7.84	-117.40
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C=C1C(=O)[O-]	REAL300000381323	0	39	-2.0	-114.15	351.04	4.90	-109.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000381324	0	35	-2.0	-106.23	328.27	7.33	-98.90
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000381325	1	41	-2.0	-124.62	350.75	5.18	-119.44
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381327	0	39	-2.0	-128.19	342.93	6.83	-121.36
CC1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381330	0	31	-2.0	-106.39	304.24	5.14	-101.25
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381330	1	30	-3.0	-177.38	305.84	5.23	-172.15
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(C)=C2Cl)C=C1C(=O)[O-]	REAL300000381331	0	34	-2.0	-113.19	324.04	7.44	-105.75
COC1=CC(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000381332	0	42	-2.0	-111.89	370.92	5.92	-105.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2C)C=C1C(=O)[O-]	REAL300000381333	1	40	-2.0	-115.69	357.86	3.85	-111.84
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000381334	0	33	-2.0	-100.03	323.01	6.78	-93.25
COC1=CC=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381335	0	38	-2.0	-115.07	339.90	6.17	-108.90
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)C=C1C(=O)[O-]	REAL300000381336	1	39	-2.0	-112.53	331.68	6.91	-105.62
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CS2)C=C1C(=O)[O-]	REAL300000381338	0	28	-2.0	-108.07	293.97	5.10	-102.97
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000381340	1	44	-2.0	-120.35	389.13	5.45	-114.90
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000381341	0	33	-2.0	-116.73	309.16	7.04	-109.69
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381342	0	45	-2.0	-120.86	395.89	4.44	-116.42
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1C(=O)[O-]	REAL300000381343	0	44	-2.0	-105.96	368.33	8.70	-97.26
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000381344	0	43	-2.0	-104.06	363.75	7.99	-96.07
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000381345	1	41	-2.0	-112.08	355.86	8.96	-103.12
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000381346	0	33	-2.0	-120.29	315.07	6.93	-113.36
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381347	0	40	-2.0	-122.75	366.68	4.10	-118.65
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381348	1	42	-2.0	-120.80	372.41	5.21	-115.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)C=C1C(=O)[O-]	REAL300000381351	1	42	-2.0	-121.40	369.72	5.53	-115.87
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381352	0	35	-2.0	-114.20	316.92	4.01	-110.19
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381352	1	35	-2.0	-110.40	315.80	4.83	-105.57
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381353	0	40	-2.0	-104.56	344.28	7.79	-96.77
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C1C(=O)[O-]	REAL300000381354	0	34	-2.0	-116.48	325.25	6.56	-109.92
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2)N(C)C2=C3C=CC=C2)C=C1C(=O)[O-]	REAL300000381355	1	44	-2.0	-118.08	381.45	9.38	-108.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381356	0	40	-3.0	-191.46	364.63	6.76	-184.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381356	1	41	-2.0	-108.59	347.64	6.47	-102.12
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381357	0	36	-3.0	-179.89	341.02	6.67	-173.22
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381357	1	35	-4.0	-266.04	338.53	6.67	-259.37
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381358	0	34	-2.0	-105.95	333.61	5.41	-100.54
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C(=O)[O-]	REAL300000381359	0	41	-2.0	-106.73	355.58	8.01	-98.72
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(S(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000381360	1	37	-2.0	-112.04	346.77	3.09	-108.95
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000381361	0	39	-2.0	-123.62	341.95	8.21	-115.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1C(=O)[O-]	REAL300000381362	1	35	-2.0	-103.71	319.47	5.92	-97.79
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000381363	0	31	-2.0	-108.65	296.59	5.90	-102.75
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381364	0	41	-2.0	-119.19	381.82	4.58	-114.61
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381365	0	41	-2.0	-109.07	375.16	4.53	-104.54
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000381366	0	33	-3.0	-171.11	313.13	5.25	-165.86
CC1=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000381366	1	34	-2.0	-104.57	299.72	4.48	-100.09
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1C(=O)[O-]	REAL300000381367	0	34	-2.0	-131.48	309.85	4.75	-126.73
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381368	0	37	-2.0	-115.81	341.92	6.26	-109.55
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381369	0	41	-2.0	-120.12	353.18	6.93	-113.19
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000381371	1	47	-2.0	-112.06	394.72	7.29	-104.77
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000381373	0	33	-2.0	-123.23	315.36	7.70	-115.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1C(=O)[O-]	REAL300000381374	1	36	-2.0	-121.32	329.93	5.73	-115.59
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000381375	1	44	-2.0	-118.21	376.95	8.23	-109.98
CC1=CC=C(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381376	0	40	-2.0	-112.88	354.79	5.89	-106.99
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000381377	1	35	-2.0	-106.43	342.11	7.12	-99.31
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000381378	0	30	-2.0	-102.41	298.01	4.35	-98.06
CC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2F)C=C1C(=O)[O-]	REAL300000381381	0	37	-2.0	-118.98	347.86	3.13	-115.85
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000381382	0	33	-2.0	-127.09	307.49	7.15	-119.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381383	0	37	-3.0	-184.13	339.11	5.20	-178.93
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381383	1	38	-2.0	-116.15	341.72	5.20	-110.95
CC1=CC=C(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1C(=O)[O-]	REAL300000381384	0	42	-2.0	-112.67	374.07	6.68	-105.99
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000381385	0	38	-2.0	-109.94	342.22	6.66	-103.28
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000381386	0	41	-2.0	-109.31	367.64	7.11	-102.20
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C(=O)[O-]	REAL300000381388	0	33	-3.0	-170.64	327.72	6.70	-163.94
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C(=O)[O-]	REAL300000381388	1	34	-2.0	-97.12	328.15	6.26	-90.86
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1C(=O)[O-]	REAL300000381389	0	30	-2.0	-102.25	283.09	3.83	-98.42
CC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000381390	0	38	-2.0	-102.48	359.71	6.93	-95.55
CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)C=C1C(=O)[O-]	REAL300000381391	0	31	-2.0	-110.45	308.45	6.24	-104.21
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)C=C1C(=O)[O-]	REAL300000381393	1	41	-2.0	-108.52	361.92	6.47	-102.05
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381394	0	34	-2.0	-109.78	329.71	5.21	-104.57
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381395	1	39	-2.0	-105.30	340.12	7.94	-97.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1C(=O)[O-]	REAL300000381396	1	36	-2.0	-112.82	317.82	5.97	-106.85
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C=C1C(=O)[O-]	REAL300000381397	0	37	-2.0	-112.32	354.49	6.29	-106.03
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C1C(=O)[O-]	REAL300000381398	0	30	-2.0	-103.78	306.80	4.68	-99.10
CC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1C(=O)[O-]	REAL300000381399	0	41	-2.0	-110.72	371.87	7.06	-103.66
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000381401	1	39	-2.0	-106.07	347.99	5.28	-100.79
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000381402	0	35	-2.0	-101.87	321.41	2.53	-99.34
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000381403	0	31	-2.0	-100.57	297.63	4.06	-96.51
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000381405	0	31	-2.0	-114.23	293.46	5.68	-108.55
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(F)=C1	REAL300000381406	0	35	-2.0	-115.55	323.72	5.22	-110.33
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381407	0	37	-2.0	-118.69	343.61	7.46	-111.23
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000381408	0	33	-2.0	-116.78	319.48	7.49	-109.29
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C(=O)[O-]	REAL300000381409	0	37	-2.0	-100.17	332.83	6.92	-93.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C(=O)[O-]	REAL300000381409	1	36	-3.0	-169.67	330.84	6.92	-162.75
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000381410	0	37	-2.0	-117.24	324.81	5.19	-112.05
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CN1C	REAL300000381411	0	34	-2.0	-120.46	305.19	4.43	-116.03
CC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000381412	0	38	-2.0	-104.50	349.90	6.45	-98.05
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000381413	0	35	-2.0	-115.11	323.75	5.69	-109.42
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381414	1	40	-2.0	-115.94	362.39	7.22	-108.72
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000381415	0	34	-2.0	-108.61	307.74	4.11	-104.50
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000381416	1	43	-2.0	-107.19	383.86	8.03	-99.16
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C(=O)NC(=O)N3C)C=C1C(=O)[O-]	REAL300000381417	0	39	-2.0	-102.83	351.02	3.02	-99.81
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381418	1	38	-2.0	-113.11	336.72	5.27	-107.84
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381419	0	37	-2.0	-118.53	333.29	7.01	-111.52
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C=C1C(=O)[O-]	REAL300000381420	0	39	-2.0	-119.28	347.32	6.13	-113.15
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C=C1C(=O)[O-]	REAL300000381421	0	34	-2.0	-111.12	329.98	6.71	-104.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000381422	1	34	-2.0	-106.49	313.94	7.00	-99.49
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C=C1C(=O)[O-]	REAL300000381423	0	31	-2.0	-112.05	317.82	5.75	-106.30
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381424	0	41	-2.0	-115.69	361.76	7.08	-108.61
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1C(=O)[O-]	REAL300000381425	1	36	-2.0	-110.14	317.63	4.85	-105.29
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000381426	1	40	-2.0	-104.12	362.88	7.15	-96.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000381427	0	31	-2.0	-107.40	301.19	6.18	-101.22
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C2)=CO1	REAL300000381428	1	40	-2.0	-115.83	362.12	4.70	-111.13
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000381431	1	35	-2.0	-104.75	325.97	2.40	-102.35
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381432	1	35	-2.0	-114.94	315.24	4.94	-110.00
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381434	0	37	-2.0	-114.80	343.27	3.78	-111.02
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381434	1	36	-3.0	-177.06	345.33	2.67	-174.39
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000381439	0	37	-2.0	-104.54	346.47	6.30	-98.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(F)=C1	REAL300000381440	0	34	-2.0	-115.76	308.59	6.29	-109.47
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000381441	0	35	-2.0	-106.43	340.28	5.97	-100.46
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)O1	REAL300000381443	0	34	-2.0	-106.61	325.27	4.43	-102.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000381444	0	36	-2.0	-128.00	321.57	6.18	-121.82
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C=C1C(=O)[O-]	REAL300000381445	0	37	-2.0	-116.20	348.08	6.23	-109.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000381446	0	31	-2.0	-102.45	299.85	5.73	-96.72
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381447	1	43	-2.0	-111.08	369.38	4.43	-106.65
CC1=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000381448	0	34	-2.0	-104.66	321.29	5.97	-98.69
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000381448	1	33	-3.0	-176.78	322.79	6.11	-170.67
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000381449	1	40	-2.0	-115.21	349.59	6.96	-108.25
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381450	0	35	-2.0	-112.94	324.26	5.41	-107.53
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000381451	0	33	-2.0	-102.87	312.31	4.77	-98.10
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381452	0	37	-2.0	-121.94	344.82	3.18	-118.76
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000381454	1	40	-2.0	-117.49	362.68	7.10	-110.39
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000381457	1	42	-2.0	-133.12	362.17	6.67	-126.45
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381458	0	43	-2.0	-112.24	364.93	6.26	-105.98
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)SC=C1	REAL300000381459	0	31	-2.0	-112.24	292.43	5.18	-107.06
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381460	1	37	-2.0	-108.21	353.19	6.71	-101.50
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000381461	0	40	-2.0	-111.58	345.17	5.58	-106.00
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000381462	1	40	-2.0	-106.82	352.50	6.74	-100.08
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C=C1C(=O)[O-]	REAL300000381463	1	36	-2.0	-100.50	325.69	6.72	-93.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000381465	1	39	-2.0	-122.88	341.24	4.00	-118.88
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000381466	1	40	-2.0	-125.62	370.76	3.86	-121.76
CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)C=C1C(=O)[O-]	REAL300000381467	1	35	-2.0	-106.92	317.95	6.71	-100.21
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2F)C=C1C(=O)[O-]	REAL300000381469	0	36	-2.0	-108.55	334.23	6.93	-101.62
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000381473	1	45	-2.0	-134.56	374.46	7.12	-127.44
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381474	0	35	-2.0	-113.02	319.30	6.00	-107.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)C=C1C(=O)[O-]	REAL300000381475	1	35	-2.0	-103.44	317.92	6.71	-96.73
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C=C1C(=O)[O-]	REAL300000381479	0	32	-2.0	-107.19	307.96	6.00	-101.19
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000381480	0	34	-2.0	-116.78	325.34	7.72	-109.06
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C2O1	REAL300000381481	1	36	-2.0	-109.31	325.32	3.21	-106.10
CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000381482	0	37	-2.0	-108.57	326.43	4.64	-103.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)C=C1C(=O)[O-]	REAL300000381483	0	36	-2.0	-116.61	319.50	2.03	-114.58
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000381485	0	37	-2.0	-113.40	341.04	4.31	-109.09
CC1=CC=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C=C1C(=O)[O-]	REAL300000381486	0	37	-2.0	-121.33	329.70	4.07	-117.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000381487	0	34	-2.0	-113.68	323.52	7.36	-106.32
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=N1	REAL300000381488	0	40	-2.0	-113.46	353.86	6.92	-106.54
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000381490	0	35	-2.0	-109.34	338.43	6.83	-102.51
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000381491	1	31	-2.0	-96.47	300.65	5.73	-90.74
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000381492	1	42	-2.0	-108.76	364.29	7.39	-101.37
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CN1C	REAL300000381494	0	38	-2.0	-114.05	342.82	5.65	-108.40
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000381496	0	34	-2.0	-91.73	323.59	6.22	-85.51
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000381496	1	33	-3.0	-164.81	323.17	6.67	-158.14
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000381497	0	34	-2.0	-106.25	317.13	6.15	-100.10
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000381497	1	33	-3.0	-165.72	314.65	6.15	-159.57
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)C=C1C(=O)[O-]	REAL300000381498	1	39	-2.0	-104.95	351.06	5.04	-99.91
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000381499	0	38	-2.0	-113.13	346.62	6.82	-106.31
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381500	0	31	-2.0	-109.23	315.85	5.91	-103.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)C=C1C(=O)[O-]	REAL300000381501	1	31	-2.0	-102.13	308.70	6.22	-95.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(Cl)=C1Cl	REAL300000381505	1	35	-2.0	-109.45	338.74	5.92	-103.53
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000381506	0	42	-2.0	-114.73	369.41	6.30	-108.43
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C=C1C(=O)[O-]	REAL300000381507	0	34	-2.0	-104.21	326.48	3.61	-100.60
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(=O)[O-]	REAL300000381508	0	30	-3.0	-168.41	302.39	5.24	-163.17
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C=C1C(=O)[O-]	REAL300000381509	0	40	-2.0	-121.24	346.39	6.79	-114.45
CC1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381510	0	34	-2.0	-98.13	326.84	6.14	-91.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381510	1	33	-3.0	-171.40	316.53	6.17	-165.23
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C(=O)[O-]	REAL300000381511	0	36	-3.0	-178.37	335.88	6.81	-171.56
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C(=O)[O-]	REAL300000381511	1	37	-2.0	-99.36	329.01	6.39	-92.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000381512	1	45	-2.0	-108.31	374.46	7.60	-100.71
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000381513	0	37	-3.0	-169.36	350.43	6.73	-162.63
COC1=CC(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000381513	1	38	-2.0	-95.77	351.05	6.28	-89.49
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CN1	REAL300000381514	0	35	-2.0	-111.45	325.06	3.89	-107.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000381515	0	33	-3.0	-166.94	315.58	6.18	-160.76
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000381515	1	34	-2.0	-102.13	308.76	5.75	-96.38
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000381516	0	34	-2.0	-102.86	325.10	6.52	-96.34
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)C=C1C(=O)[O-]	REAL300000381517	1	34	-2.0	-107.69	302.46	6.34	-101.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000381519	1	40	-2.0	-108.62	352.41	6.74	-101.88
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CS1	REAL300000381520	0	34	-2.0	-110.19	328.93	5.22	-104.97
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000381521	1	37	-2.0	-103.88	341.02	6.23	-97.65
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381522	0	33	-2.0	-108.08	308.18	4.04	-104.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C=C1C(=O)[O-]	REAL300000381523	1	35	-2.0	-117.61	330.29	6.45	-111.16
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000381524	1	39	-2.0	-101.36	343.99	8.00	-93.36
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000381525	1	39	-2.0	-101.51	346.58	2.45	-99.06
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C(=O)[O-]	REAL300000381528	0	37	-2.0	-100.64	341.59	7.33	-93.31
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C(=O)[O-]	REAL300000381528	1	36	-3.0	-171.47	339.58	7.31	-164.16
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)C=C1C(=O)[O-]	REAL300000381529	1	37	-2.0	-106.65	336.21	7.33	-99.32
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381530	0	31	-2.0	-104.87	314.86	5.87	-99.00
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381531	1	37	-2.0	-112.69	324.55	6.98	-105.71
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C=C1C(=O)[O-]	REAL300000381532	0	34	-2.0	-108.13	337.30	7.47	-100.66
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381533	1	34	-2.0	-108.27	309.47	6.28	-101.99
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000381534	0	42	-2.0	-103.25	380.40	7.62	-95.63
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000381534	1	41	-3.0	-162.76	373.88	7.52	-155.24
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381535	0	37	-2.0	-106.30	339.55	5.00	-101.30
CC1=CC=C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381537	0	34	-2.0	-104.83	323.41	6.21	-98.62
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381537	1	33	-3.0	-168.82	320.97	6.20	-162.62
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381538	0	36	-2.0	-113.70	348.91	6.74	-106.96
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381538	1	35	-3.0	-165.48	338.33	6.78	-158.70
CC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C=C1C(=O)[O-]	REAL300000381539	0	34	-2.0	-113.10	335.00	7.42	-105.68
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381540	0	41	-2.0	-119.93	364.60	6.00	-113.93
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381541	1	43	-2.0	-115.74	373.20	7.65	-108.09
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C(C)=C2)C=C1C(=O)[O-]	REAL300000381543	0	34	-2.0	-107.78	313.87	6.31	-101.47
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000381544	0	37	-2.0	-120.78	336.99	8.71	-112.07
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000381545	1	37	-2.0	-121.49	326.78	7.96	-113.53
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1C(=O)[O-]	REAL300000381546	0	33	-2.0	-108.94	313.67	5.03	-103.91
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2Cl)C=C1C(=O)[O-]	REAL300000381547	0	36	-2.0	-105.92	341.87	7.42	-98.50
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000381548	1	35	-2.0	-100.48	338.31	6.73	-93.75
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381549	0	38	-2.0	-110.74	359.51	4.63	-106.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2C)C=C1C(=O)[O-]	REAL300000381550	1	34	-2.0	-107.41	315.24	6.83	-100.58
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C(=O)[O-]	REAL300000381551	0	34	-3.0	-177.08	319.83	3.81	-173.27
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C(=O)[O-]	REAL300000381551	1	34	-3.0	-180.02	322.82	4.77	-175.25
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381553	0	36	-2.0	-112.98	345.79	4.93	-108.05
CC1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000381554	0	37	-2.0	-99.65	334.79	6.89	-92.76
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000381554	1	36	-3.0	-170.82	336.36	7.00	-163.82
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000381555	1	38	-2.0	-111.29	351.33	5.09	-106.20
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)O1	REAL300000381556	0	37	-2.0	-106.82	347.14	5.36	-101.46
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381557	0	33	-2.0	-100.53	316.28	6.29	-94.24
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381558	0	36	-2.0	-120.11	337.49	6.60	-113.51
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)C=C1C(=O)[O-]	REAL300000381559	1	43	-2.0	-110.51	372.37	7.08	-103.43
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000381560	1	36	-2.0	-101.44	337.41	7.38	-94.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C=C1C(=O)[O-]	REAL300000381561	0	34	-2.0	-120.84	324.42	6.25	-114.59
COC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)SC=C1	REAL300000381562	0	32	-2.0	-119.83	307.90	3.92	-115.91
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381563	1	40	-2.0	-119.46	363.85	3.97	-115.49
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300000381564	0	37	-2.0	-109.35	335.41	6.83	-102.52
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000381565	0	34	-2.0	-113.45	311.43	5.94	-107.51
CC1=CC=C([N-]S(=O)(=O)C2=C3N=C(C)C=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000381566	0	39	-2.0	-129.96	343.17	6.78	-123.18
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C2=CC(Cl)=CC=C2S1	REAL300000381567	0	37	-2.0	-111.63	348.10	8.45	-103.18
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C(Br)S1	REAL300000381569	1	31	-2.0	-103.44	311.57	6.05	-97.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000381570	1	37	-2.0	-111.44	337.07	8.28	-103.16
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CC(F)=C1F	REAL300000381571	1	37	-2.0	-99.06	347.29	6.29	-92.77
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)SC2=CC=CC(F)=C12	REAL300000381572	0	37	-2.0	-114.72	341.63	7.58	-107.14
CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000381573	1	32	-2.0	-102.02	323.82	6.55	-95.47
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)C=C1C(=O)[O-]	REAL300000381574	0	36	-2.0	-108.64	335.68	6.92	-101.72
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381575	0	33	-2.0	-116.34	314.91	4.30	-112.04
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=NC2=C1Cl	REAL300000381577	0	36	-2.0	-101.17	342.64	5.50	-95.67
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C=C1C(=O)[O-]	REAL300000381578	0	31	-2.0	-115.06	301.29	6.48	-108.58
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C=C1C(=O)[O-]	REAL300000381579	1	33	-2.0	-103.70	329.93	5.46	-98.24
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C=C1C(=O)[O-]	REAL300000381580	0	31	-2.0	-101.41	297.69	4.46	-96.95
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C=C1C(=O)[O-]	REAL300000381581	0	31	-2.0	-117.05	302.02	4.36	-112.69
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CC(OC)=C1	REAL300000381582	1	39	-2.0	-114.40	340.64	4.16	-110.24
CC1=CC=C(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381583	0	34	-2.0	-104.82	333.29	6.64	-98.18
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381583	1	33	-3.0	-170.66	330.85	6.64	-164.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1C(=O)[O-]	REAL300000381584	0	32	-2.0	-116.80	297.49	4.28	-112.52
CC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])C=CC(C)=C2C)C=C1C(=O)[O-]	REAL300000381585	0	39	-2.0	-124.37	334.31	8.46	-115.91
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)S2)=CS1	REAL300000381586	0	37	-2.0	-110.63	361.10	6.09	-104.54
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C=C1C(=O)[O-]	REAL300000381587	0	32	-2.0	-101.84	303.88	3.38	-98.46
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381588	0	30	-2.0	-108.71	294.26	3.47	-105.24
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000381589	1	37	-2.0	-103.98	349.00	6.59	-97.39
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)C=C1C(=O)[O-]	REAL300000381590	1	36	-2.0	-100.50	329.46	7.03	-93.47
CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000381591	0	37	-2.0	-111.50	322.05	6.76	-104.74
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000381593	1	38	-2.0	-129.04	346.28	3.41	-125.63
CC1=CC=C(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381594	0	37	-2.0	-110.20	337.44	6.77	-103.43
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000381595	0	37	-2.0	-105.20	327.40	6.89	-98.31
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381596	0	37	-2.0	-120.12	340.56	6.64	-113.48
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C=C1C(=O)[O-]	REAL300000381598	0	32	-2.0	-108.04	310.97	6.23	-101.81
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C(C)N1	REAL300000381599	1	44	-2.0	-110.89	377.64	6.23	-104.66
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(F)=C2)C=C1C(=O)[O-]	REAL300000381600	0	34	-2.0	-110.39	313.85	6.32	-104.07
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000381601	0	37	-2.0	-100.50	337.20	6.30	-94.20
CC1=CC=C(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381602	0	40	-2.0	-109.36	345.30	7.17	-102.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C=C1C(=O)[O-]	REAL300000381603	1	37	-2.0	-121.20	339.40	8.37	-112.83
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000381604	0	37	-2.0	-108.83	346.78	3.09	-105.74
CC1=CC=C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381605	0	36	-2.0	-114.81	339.06	7.19	-107.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381605	1	35	-3.0	-177.91	336.43	7.13	-170.78
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=C1C(=O)[O-]	REAL300000381606	0	34	-2.0	-108.13	326.99	7.03	-101.10
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000381608	0	33	-3.0	-168.41	321.88	6.23	-162.18
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381609	1	36	-2.0	-101.40	334.70	6.87	-94.53
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381610	0	37	-2.0	-116.08	343.62	7.45	-108.63
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C1C(=O)[O-]	REAL300000381611	0	30	-2.0	-109.98	304.73	5.09	-104.89
CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C=C1C(=O)[O-]	REAL300000381612	0	37	-2.0	-120.29	327.28	5.92	-114.37
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000381613	0	36	-2.0	-102.72	332.41	4.38	-98.34
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000381614	0	30	-2.0	-100.39	307.09	4.72	-95.67
CC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000381615	0	40	-2.0	-116.62	346.29	7.50	-109.12
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C4=C(C=CC=C42)C(=O)N3C)C=C1C(=O)[O-]	REAL300000381616	1	42	-2.0	-113.05	371.49	7.58	-105.47
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C(=O)[O-]	REAL300000381617	0	36	-3.0	-179.39	335.73	6.81	-172.58
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C(=O)[O-]	REAL300000381617	1	37	-2.0	-98.28	324.66	6.28	-92.00
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C(=O)[O-]	REAL300000381618	0	36	-3.0	-176.70	341.88	7.25	-169.45
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C(=O)[O-]	REAL300000381618	1	37	-2.0	-99.63	344.53	7.22	-92.41
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381619	0	36	-3.0	-191.13	339.23	6.90	-184.23
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381619	1	37	-2.0	-120.87	341.31	6.87	-114.00
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C=C1C(=O)[O-]	REAL300000381620	0	31	-2.0	-99.08	308.90	6.02	-93.06
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381621	1	39	-2.0	-122.94	348.82	6.91	-116.03
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000381622	0	38	-2.0	-106.89	341.41	3.15	-103.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300000381623	0	36	-2.0	-117.50	331.98	6.38	-111.12
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)C=C1C(=O)[O-]	REAL300000381624	0	31	-2.0	-106.48	304.54	6.31	-100.17
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Br)C=C1C(=O)[O-]	REAL300000381625	0	34	-2.0	-112.78	316.36	6.83	-105.95
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381626	0	40	-2.0	-107.68	347.19	7.32	-100.36
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000381627	0	42	-2.0	-108.47	358.83	4.08	-104.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)C=C1C(=O)[O-]	REAL300000381630	0	35	-2.0	-120.60	318.93	6.33	-114.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)C=C1C(=O)[O-]	REAL300000381631	0	34	-2.0	-103.72	333.55	7.11	-96.61
CC1=CC=C(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)C=C1C(=O)[O-]	REAL300000381632	0	37	-2.0	-99.32	332.45	6.04	-93.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C=C1C(=O)[O-]	REAL300000381633	0	40	-2.0	-111.08	354.65	7.19	-103.89
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381634	0	37	-2.0	-120.16	329.16	6.29	-113.87
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1C(=O)[O-]	REAL300000381635	0	39	-2.0	-108.39	343.79	3.41	-104.98
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381637	0	39	-2.0	-109.97	355.09	7.61	-102.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)C=C1C(=O)[O-]	REAL300000381638	0	34	-2.0	-117.24	307.46	6.26	-110.98
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000381639	1	37	-2.0	-104.59	330.72	3.16	-101.43
CC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000381640	0	38	-2.0	-121.23	327.45	5.59	-115.64
COC1=CC=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C=C1CC(=O)[O-]	REAL300000381641	0	41	-2.0	-106.62	363.08	6.24	-100.38
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000381642	1	38	-2.0	-112.42	340.80	5.38	-107.04
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381643	0	36	-2.0	-112.97	320.93	2.53	-110.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)C=C1C(=O)[O-]	REAL300000381644	0	34	-2.0	-113.59	313.54	6.69	-106.90
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C(C)O1	REAL300000381645	0	34	-2.0	-110.11	308.71	5.23	-104.88
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C=C1C(=O)[O-]	REAL300000381646	0	37	-2.0	-117.12	327.93	3.21	-113.91
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C2)CC1	REAL300000381648	1	44	-2.0	-111.14	380.01	8.18	-102.96
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381649	1	40	-2.0	-107.44	364.73	7.20	-100.24
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381650	1	38	-2.0	-110.28	328.26	5.58	-104.70
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C(C(=O)OC)O1	REAL300000381651	0	40	-2.0	-104.23	358.66	5.96	-98.27
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381653	0	34	-2.0	-111.63	315.31	5.96	-105.67
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000381655	0	39	-2.0	-128.02	335.29	7.31	-120.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1C(=O)[O-]	REAL300000381656	1	37	-2.0	-119.10	330.96	7.56	-111.54
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000381657	1	44	-2.0	-125.27	375.95	6.90	-118.37
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000381658	1	37	-2.0	-102.22	350.29	3.63	-98.59
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381659	0	37	-2.0	-115.33	333.29	7.01	-108.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000381660	0	33	-2.0	-98.09	314.41	6.24	-91.85
CC1=CC=C(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000381661	0	37	-2.0	-106.72	339.48	7.25	-99.47
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000381661	1	36	-3.0	-172.25	336.20	7.28	-164.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000381662	1	31	-2.0	-102.48	304.82	6.13	-96.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C(C)O1	REAL300000381663	0	37	-2.0	-104.56	339.54	5.11	-99.45
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000381664	0	30	-2.0	-102.42	293.44	4.24	-98.18
CC1=CC=C(NS(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381665	0	37	-2.0	-107.07	343.83	7.07	-100.00
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)N=C1C	REAL300000381666	0	37	-2.0	-120.28	327.20	5.35	-114.93
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381667	0	34	-2.0	-113.56	323.63	7.01	-106.55
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381668	0	34	-2.0	-114.35	320.27	6.86	-107.49
CCN1C=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381669	0	38	-2.0	-125.21	348.70	6.27	-118.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381669	1	37	-3.0	-180.60	338.15	6.32	-174.28
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381670	0	34	-2.0	-110.92	325.62	4.40	-106.52
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381671	0	43	-2.0	-111.74	357.80	6.12	-105.62
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CN1C	REAL300000381672	0	41	-2.0	-113.71	364.69	6.57	-107.14
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381673	1	39	-2.0	-106.55	344.09	7.61	-98.94
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300000381674	0	31	-2.0	-115.70	297.71	6.33	-109.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000381675	0	33	-2.0	-112.07	315.63	4.95	-107.12
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381676	0	36	-2.0	-109.70	330.71	5.74	-103.96
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000381677	0	38	-2.0	-112.03	346.80	6.74	-105.29
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000381678	1	35	-2.0	-107.58	336.86	7.02	-100.56
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381679	0	33	-2.0	-106.87	311.67	4.13	-102.74
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000381680	0	38	-2.0	-101.16	342.90	3.26	-97.90
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381681	0	33	-2.0	-105.60	320.96	5.92	-99.68
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000381683	0	34	-2.0	-100.92	322.51	3.50	-97.42
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000381684	1	40	-2.0	-107.91	357.58	6.51	-101.40
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000381686	0	33	-2.0	-100.60	316.40	4.79	-95.81
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381687	1	37	-2.0	-107.80	342.87	6.27	-101.53
CC1=CC=C(NS(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000381688	0	46	-2.0	-117.17	373.11	8.69	-108.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)C=C1C(=O)[O-]	REAL300000381689	1	34	-2.0	-110.80	332.32	2.75	-108.05
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381690	0	46	-2.0	-111.92	378.54	6.66	-105.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C=C1C(=O)[O-]	REAL300000381692	0	32	-2.0	-104.24	315.54	6.50	-97.74
CC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000381693	0	34	-2.0	-120.46	309.59	5.86	-114.60
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381694	0	36	-2.0	-107.46	331.65	4.40	-103.06
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381695	0	42	-2.0	-122.21	375.87	5.74	-116.47
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=C1C(=O)[O-]	REAL300000381696	0	28	-2.0	-106.38	290.11	4.37	-102.01
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C(C2=CC=CC=C2)S1	REAL300000381697	0	40	-2.0	-118.80	363.80	7.08	-111.72
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300000381698	0	40	-2.0	-123.04	358.23	4.53	-118.51
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)C=C1C(=O)[O-]	REAL300000381699	1	39	-2.0	-109.91	345.20	7.62	-102.29
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381700	1	41	-2.0	-118.63	345.20	7.30	-111.33
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000381701	0	31	-2.0	-107.84	302.73	5.94	-101.90
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381705	1	43	-2.0	-113.09	373.74	7.90	-105.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C=C1C(=O)[O-]	REAL300000381706	0	31	-2.0	-103.98	316.83	6.66	-97.32
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381707	0	31	-2.0	-104.49	310.64	5.77	-98.72
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000381708	0	41	-2.0	-112.58	364.66	6.00	-106.58
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000381709	1	34	-2.0	-111.57	313.84	6.42	-105.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C=C1C(=O)[O-]	REAL300000381710	0	34	-2.0	-106.60	325.92	6.62	-99.98
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381711	1	34	-2.0	-108.34	324.36	6.83	-101.51
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000381712	0	34	-2.0	-106.74	320.73	4.39	-102.35
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381713	1	35	-2.0	-117.79	317.75	6.61	-111.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(C)C)C=C1C(=O)[O-]	REAL300000381714	0	42	-2.0	-132.24	364.29	5.37	-126.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C=C1C(=O)[O-]	REAL300000381715	1	34	-2.0	-112.35	327.05	2.78	-109.57
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000381717	0	39	-2.0	-106.00	351.12	6.84	-99.16
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000381719	0	37	-2.0	-121.49	337.00	6.73	-114.76
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000381720	1	35	-2.0	-104.08	317.41	4.92	-99.16
CC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1C(=O)[O-]	REAL300000381721	0	30	-2.0	-118.23	294.37	5.95	-112.28
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381722	0	39	-2.0	-117.08	355.07	7.61	-109.47
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C=C1C(=O)[O-]	REAL300000381723	1	36	-2.0	-106.12	326.04	4.68	-101.44
CC1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381724	0	30	-2.0	-103.50	306.90	5.40	-98.10
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000381727	1	34	-2.0	-101.97	337.12	7.06	-94.91
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381728	0	42	-2.0	-109.71	356.88	4.56	-105.15
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000381729	1	37	-2.0	-99.88	345.14	6.37	-93.51
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1C(=O)[O-]	REAL300000381730	0	35	-2.0	-113.08	309.64	4.98	-108.10
CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000381731	0	32	-2.0	-107.19	315.60	6.50	-100.69
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000381732	0	34	-2.0	-109.23	325.62	4.62	-104.61
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381734	0	39	-2.0	-125.14	335.66	6.06	-119.08
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2F)C=C1C(=O)[O-]	REAL300000381736	0	34	-2.0	-117.14	304.61	6.60	-110.54
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C=C1C(=O)[O-]	REAL300000381738	0	35	-2.0	-125.30	320.04	5.62	-119.68
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381739	0	44	-2.0	-109.99	372.76	7.05	-102.94
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)C=C1C(=O)[O-]	REAL300000381740	0	31	-2.0	-108.29	308.45	6.24	-102.05
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)C=C1C(=O)[O-]	REAL300000381741	0	39	-2.0	-128.04	339.53	6.73	-121.31
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000381743	1	35	-2.0	-114.37	332.93	2.84	-111.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000381744	0	32	-2.0	-118.44	306.44	3.85	-114.59
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381745	0	34	-2.0	-107.99	306.27	3.02	-104.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)C=C1C(=O)[O-]	REAL300000381746	0	31	-2.0	-112.82	307.76	6.22	-106.60
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000381747	1	41	-2.0	-107.31	363.76	6.26	-101.05
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381749	0	41	-2.0	-123.80	374.69	2.95	-120.85
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381751	0	37	-2.0	-108.95	332.04	6.82	-102.13
CC1=CC=C(NS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381752	0	37	-2.0	-105.04	346.46	7.19	-97.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000381753	1	41	-2.0	-112.68	351.40	5.26	-107.42
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381754	0	40	-2.0	-125.55	348.75	7.86	-117.69
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381755	0	39	-2.0	-108.04	339.58	3.91	-104.13
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)C=C1C(=O)[O-]	REAL300000381756	0	37	-2.0	-120.07	346.92	7.20	-112.87
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381758	0	34	-2.0	-114.62	326.62	3.04	-111.58
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381758	1	33	-3.0	-174.13	323.33	1.91	-172.22
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000381759	1	38	-2.0	-110.69	342.32	4.58	-106.11
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000381760	0	39	-2.0	-109.13	353.48	5.32	-103.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000381761	1	35	-2.0	-106.84	327.12	5.19	-101.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000381762	1	34	-2.0	-100.57	326.00	6.61	-93.96
CC1=CC=C(NS(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381763	0	43	-2.0	-124.40	363.34	7.74	-116.66
CC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381763	1	42	-3.0	-175.43	359.43	8.24	-167.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300000381764	0	36	-2.0	-114.23	338.43	1.15	-113.08
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C=C1C(=O)[O-]	REAL300000381765	1	35	-2.0	-118.41	314.51	6.82	-111.59
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000381766	1	42	-2.0	-113.13	373.87	2.50	-110.63
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C=C1C(=O)[O-]	REAL300000381767	1	35	-2.0	-115.48	323.92	6.71	-108.77
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000381768	0	31	-2.0	-105.35	311.52	6.62	-98.73
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(N)=NO1	REAL300000381770	0	32	-2.0	-101.37	288.09	2.94	-98.43
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1)OCC(=O)N2	REAL300000381771	0	41	-2.0	-114.39	360.63	2.57	-111.82
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C=C1C(=O)[O-]	REAL300000381772	0	31	-2.0	-103.56	311.68	6.93	-96.63
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381773	0	35	-2.0	-114.01	326.65	5.86	-108.15
CC1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000381774	1	32	-2.0	-106.38	309.16	4.32	-102.06
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381777	1	38	-2.0	-112.77	326.62	5.62	-107.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Br)=C2)C=C1C(=O)[O-]	REAL300000381778	1	32	-2.0	-100.90	322.15	6.45	-94.45
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000381780	0	33	-2.0	-102.30	331.55	6.78	-95.52
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C=C1C(=O)[O-]	REAL300000381781	0	29	-2.0	-101.82	294.17	5.10	-96.72
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000381782	0	33	-2.0	-98.80	327.83	6.66	-92.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000381783	1	33	-2.0	-108.56	298.28	4.38	-104.18
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1C(=O)[O-]	REAL300000381784	0	36	-2.0	-111.40	322.84	5.91	-105.49
COC1=CC(Cl)=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381785	0	38	-2.0	-103.07	350.88	6.30	-96.77
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381785	1	37	-3.0	-180.40	350.45	6.74	-173.66
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(F)=C1	REAL300000381786	0	37	-2.0	-110.24	341.91	6.27	-103.97
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000381787	1	37	-2.0	-105.24	341.00	6.24	-99.00
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381788	0	39	-2.0	-119.88	357.80	7.39	-112.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)C=C1C(=O)[O-]	REAL300000381789	1	35	-2.0	-103.63	321.64	6.44	-97.19
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000381790	0	30	-2.0	-97.14	299.39	4.23	-92.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(F)=C1	REAL300000381791	0	35	-2.0	-113.34	316.64	4.91	-108.43
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000381792	0	39	-2.0	-123.29	342.44	8.73	-114.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000381793	1	37	-2.0	-112.37	346.72	7.44	-104.93
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C=C1C(=O)[O-]	REAL300000381795	0	35	-2.0	-118.01	333.50	6.52	-111.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000381796	1	34	-2.0	-110.95	319.90	6.59	-104.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000381797	1	41	-2.0	-116.07	355.86	8.96	-107.11
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000381799	0	34	-2.0	-104.31	298.55	4.01	-100.30
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381800	0	40	-2.0	-115.20	363.78	7.18	-108.02
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CN1C	REAL300000381801	0	43	-2.0	-111.30	383.67	6.75	-104.55
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C=C1C(=O)[O-]	REAL300000381803	0	29	-2.0	-102.74	285.56	4.09	-98.65
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C(F)C=C1C	REAL300000381804	0	43	-2.0	-110.64	379.84	7.74	-102.90
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381805	1	45	-2.0	-121.70	393.20	3.75	-117.95
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381806	0	42	-2.0	-122.01	369.06	5.15	-116.86
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C(=O)[O-]	REAL300000381807	0	37	-2.0	-104.27	328.74	6.67	-97.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000381808	1	34	-2.0	-104.66	308.86	2.23	-102.43
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1C(=O)[O-]	REAL300000381809	0	31	-2.0	-110.62	303.89	6.13	-104.49
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381812	0	40	-2.0	-113.13	359.19	8.32	-104.81
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000381813	0	40	-2.0	-112.75	355.01	8.03	-104.72
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000381814	0	34	-2.0	-109.22	324.26	7.45	-101.77
CC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300000381815	0	34	-2.0	-113.16	318.24	6.91	-106.25
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381816	1	43	-2.0	-118.28	384.55	8.01	-110.27
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381817	0	37	-2.0	-126.10	343.08	7.74	-118.36
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000381818	0	40	-2.0	-111.52	352.76	5.55	-105.97
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381819	0	44	-2.0	-121.02	390.53	7.01	-114.01
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000381820	1	43	-2.0	-109.08	374.37	7.66	-101.42
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C=C1C(=O)[O-]	REAL300000381821	0	42	-2.0	-124.05	359.52	6.76	-117.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000381822	1	35	-2.0	-100.06	338.28	6.73	-93.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000381823	0	34	-2.0	-115.80	308.26	4.18	-111.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2C#N)C=C1C(=O)[O-]	REAL300000381824	0	32	-2.0	-115.94	319.47	6.33	-109.61
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381826	1	38	-2.0	-113.60	333.01	5.77	-107.83
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000381827	0	31	-2.0	-111.94	304.00	6.41	-105.53
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000381829	1	40	-2.0	-114.13	348.98	8.48	-105.65
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1C(=O)[O-]	REAL300000381830	0	28	-2.0	-108.92	289.64	5.00	-103.92
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381831	1	40	-2.0	-106.98	365.90	7.40	-99.58
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381832	0	31	-2.0	-109.63	295.23	5.21	-104.42
CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1C(=O)[O-]	REAL300000381834	0	28	-2.0	-106.89	279.94	2.35	-104.54
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C=C1C(=O)[O-]	REAL300000381835	0	36	-2.0	-119.12	336.17	6.61	-112.51
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1C(=O)[O-]	REAL300000381836	0	30	-2.0	-107.55	292.65	3.76	-103.79
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381837	1	38	-2.0	-107.17	349.88	5.85	-101.32
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000381838	0	40	-2.0	-106.00	346.17	4.60	-101.40
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000381839	1	40	-2.0	-105.18	350.84	4.09	-101.09
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000381840	0	38	-3.0	-179.40	353.41	8.31	-171.09
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1C(=O)[O-]	REAL300000381843	0	34	-2.0	-108.98	321.91	6.12	-102.86
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C=C1C(=O)[O-]	REAL300000381844	0	34	-2.0	-114.76	338.25	7.64	-107.12
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381845	0	36	-2.0	-120.26	328.99	4.52	-115.74
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381846	0	30	-2.0	-103.72	290.15	3.84	-99.88
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000381847	0	33	-2.0	-108.32	322.83	7.51	-100.81
CC1=CC=C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C=C1C(=O)[O-]	REAL300000381849	0	35	-2.0	-100.89	333.12	5.16	-95.73
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C=C1C(=O)[O-]	REAL300000381849	1	35	-2.0	-108.35	334.56	4.35	-104.00
CC1=CC=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000381850	0	37	-2.0	-107.01	341.05	7.04	-99.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)C=C1C(=O)[O-]	REAL300000381851	0	33	-2.0	-103.91	334.52	5.45	-98.46
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381854	1	40	-2.0	-107.85	375.05	7.64	-100.21
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1C(=O)[O-]	REAL300000381855	0	28	-2.0	-110.89	279.94	4.59	-106.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000381857	0	37	-2.0	-124.18	342.48	3.97	-120.21
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000381858	0	34	-2.0	-111.15	320.29	4.40	-106.75
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000381859	1	40	-2.0	-110.46	346.49	7.14	-103.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C=C1C(=O)[O-]	REAL300000381860	1	32	-2.0	-100.93	308.36	5.98	-94.95
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C([N+](=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000381864	0	36	-2.0	-103.48	334.20	6.93	-96.55
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1C(=O)[O-]	REAL300000381865	0	37	-2.0	-106.16	331.93	6.93	-99.23
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=C1C(=O)[O-]	REAL300000381866	0	32	-2.0	-109.90	314.54	4.84	-105.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000381867	0	35	-3.0	-193.66	333.85	7.96	-185.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C=C1C(=O)[O-]	REAL300000381868	0	35	-2.0	-111.41	332.96	5.42	-105.99
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(C)=C(Cl)N=C3C=C2)C=C1C(=O)[O-]	REAL300000381869	1	39	-2.0	-108.76	362.21	7.04	-101.72
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C(F)C=C1C	REAL300000381871	0	40	-2.0	-110.39	357.94	6.81	-103.58
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C1C(=O)[O-]	REAL300000381872	0	31	-2.0	-102.21	314.24	5.74	-96.47
CC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1C(=O)[O-]	REAL300000381873	0	36	-2.0	-116.04	318.66	2.46	-113.58
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000381874	0	34	-2.0	-113.52	314.28	5.98	-107.54
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CN=C1C	REAL300000381875	0	39	-2.0	-103.26	347.85	4.89	-98.37
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381876	0	32	-2.0	-100.30	305.07	4.41	-95.89
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000381877	1	43	-2.0	-115.89	389.39	4.87	-111.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)C=C1C(=O)[O-]	REAL300000381878	1	33	-2.0	-101.78	309.21	4.93	-96.85
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C(Br)N1C	REAL300000381879	0	34	-2.0	-118.75	322.27	4.99	-113.76
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000381880	1	37	-2.0	-104.00	336.10	7.05	-96.95
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381881	1	40	-2.0	-116.97	358.61	6.99	-109.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=C1C(=O)[O-]	REAL300000381882	1	33	-2.0	-101.35	321.40	5.42	-95.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C	REAL300000381886	0	34	-2.0	-110.05	306.37	3.87	-106.18
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381888	1	44	-2.0	-122.65	376.33	6.43	-116.22
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381889	0	34	-2.0	-109.32	305.04	3.90	-105.42
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381890	1	38	-2.0	-108.36	353.46	5.78	-102.58
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000381891	0	31	-2.0	-101.69	297.54	4.14	-97.55
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000381892	1	46	-2.0	-109.57	394.52	8.37	-101.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C=C1C(=O)[O-]	REAL300000381894	1	36	-2.0	-108.60	328.10	2.74	-105.86
CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000381895	0	31	-2.0	-108.08	297.33	3.08	-105.00
CC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000381896	0	37	-2.0	-105.50	327.95	5.47	-100.03
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381897	1	44	-2.0	-108.46	391.51	5.91	-102.55
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(N(C)C)C=CC=C23)C=C1C(=O)[O-]	REAL300000381898	1	45	-2.0	-116.09	376.13	7.71	-108.38
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C=C1C(=O)[O-]	REAL300000381900	1	33	-2.0	-108.38	329.82	5.46	-102.92
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000381901	0	39	-2.0	-113.54	355.39	5.22	-108.32
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C=C1C(=O)[O-]	REAL300000381902	0	39	-2.0	-101.58	352.80	4.12	-97.46
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C=C1C(=O)[O-]	REAL300000381904	0	34	-2.0	-106.80	318.87	3.12	-103.68
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000381906	1	35	-2.0	-104.86	327.21	5.41	-99.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C=C1C(=O)[O-]	REAL300000381907	0	35	-2.0	-119.04	333.25	2.19	-116.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000381908	0	33	-3.0	-189.16	313.80	6.14	-183.02
CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000381908	1	34	-2.0	-120.57	320.31	6.20	-114.37
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C1C(=O)[O-]	REAL300000381909	0	28	-2.0	-115.99	285.09	3.64	-112.35
CC1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1C(=O)[O-]	REAL300000381910	0	33	-2.0	-122.34	312.85	4.96	-117.38
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1C(=O)[O-]	REAL300000381911	1	36	-2.0	-113.86	317.49	5.39	-108.47
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000381913	0	37	-2.0	-119.85	332.17	7.85	-112.00
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C=C1C(=O)[O-]	REAL300000381914	0	34	-2.0	-115.43	321.83	4.62	-110.81
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381915	0	37	-2.0	-119.03	350.05	7.07	-111.96
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300000381917	0	34	-2.0	-113.86	312.45	7.15	-106.71
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000381918	0	35	-2.0	-109.97	330.14	5.77	-104.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1C(=O)[O-]	REAL300000381919	0	36	-2.0	-121.57	317.97	5.36	-116.21
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000381920	1	40	-2.0	-112.92	364.08	7.04	-105.88
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C2=CC=CC(C)=C2S1	REAL300000381921	0	40	-2.0	-114.20	352.74	8.53	-105.67
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000381922	0	35	-2.0	-110.16	340.46	6.22	-103.94
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(F)=C1	REAL300000381928	0	34	-2.0	-117.91	311.59	6.50	-111.41
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C1C(=O)[O-]	REAL300000381930	0	30	-2.0	-104.80	310.77	4.83	-99.97
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)C=C1C(=O)[O-]	REAL300000381931	0	31	-2.0	-105.00	305.22	3.69	-101.31
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C=C1C(=O)[O-]	REAL300000381932	1	36	-2.0	-110.47	325.51	3.99	-106.48
CC1=CC=C(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381934	0	37	-2.0	-104.42	337.82	6.80	-97.62
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000381934	1	36	-3.0	-174.06	335.45	6.80	-167.26
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381936	0	35	-2.0	-114.06	316.32	5.40	-108.66
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C=C1C(=O)[O-]	REAL300000381937	1	34	-2.0	-101.28	321.26	4.65	-96.63
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000381938	1	39	-2.0	-109.26	344.39	7.39	-101.87
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381939	0	47	-2.0	-121.40	390.14	7.75	-113.65
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000381941	1	34	-2.0	-101.60	324.93	2.77	-98.83
CC1=CC=C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000381942	1	35	-2.0	-106.66	331.40	3.70	-102.96
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000381943	1	34	-2.0	-105.86	317.16	6.64	-99.22
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000381944	1	37	-2.0	-120.12	329.75	6.53	-113.59
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000381945	1	40	-2.0	-111.40	371.97	7.11	-104.29
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381946	0	40	-2.0	-116.42	362.19	6.89	-109.53
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C([N+](=O)[O-])S1	REAL300000381947	0	33	-2.0	-119.59	320.31	6.85	-112.74
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000381949	0	33	-2.0	-101.54	320.16	5.54	-96.00
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=C1C(=O)[O-]	REAL300000381950	1	34	-2.0	-105.52	323.65	3.74	-101.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1C(=O)[O-]	REAL300000381951	0	30	-2.0	-113.92	282.14	3.73	-110.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000381954	0	30	-2.0	-101.15	283.06	3.70	-97.45
CC1=CC=C([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)C=C1C(=O)[O-]	REAL300000381956	0	33	-2.0	-109.20	332.26	5.52	-103.68
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C=C1C(=O)[O-]	REAL300000381957	0	29	-2.0	-114.75	292.08	4.94	-109.81
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381958	0	38	-2.0	-115.27	349.69	7.28	-107.99
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000381961	1	31	-2.0	-102.23	304.28	6.12	-96.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C1C(=O)[O-]	REAL300000381962	0	40	-2.0	-119.12	343.34	5.89	-113.23
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C=C1C(=O)[O-]	REAL300000381963	1	38	-2.0	-115.54	346.78	3.41	-112.13
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1C(=O)[O-]	REAL300000381964	0	39	-2.0	-120.80	333.87	6.75	-114.05
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000381965	0	41	-2.0	-112.84	359.27	4.62	-108.22
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(F)=C1	REAL300000381966	0	40	-2.0	-109.77	363.77	7.20	-102.57
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)S2)C1	REAL300000381971	0	42	-2.0	-111.19	372.00	6.02	-105.17
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000381972	1	46	-2.0	-115.96	395.59	8.00	-107.96
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381974	1	38	-2.0	-121.64	337.58	2.99	-118.65
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000381978	1	43	-2.0	-112.87	374.72	5.44	-107.43
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000381979	0	37	-2.0	-111.12	330.89	4.62	-106.50
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000381981	0	36	-2.0	-97.39	337.42	7.39	-90.00
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000381982	1	39	-2.0	-107.01	362.44	4.40	-102.61
CC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000381985	0	38	-2.0	-119.37	348.16	7.34	-112.03
COC(=O)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=CC=C12	REAL300000381986	1	43	-2.0	-112.16	372.80	8.37	-103.79
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)N1C	REAL300000381987	0	34	-2.0	-108.52	300.84	4.59	-103.93
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1F	REAL300000381988	0	37	-2.0	-112.60	346.46	6.29	-106.31
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000381989	1	44	-2.0	-114.10	371.52	7.20	-106.90
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000381992	0	44	-2.0	-109.66	387.43	7.92	-101.74
CC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])C=C(C)C(F)=C2)C=C1C(=O)[O-]	REAL300000381993	0	36	-2.0	-116.36	326.89	7.64	-108.72
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CN1CC1CC1	REAL300000381994	0	44	-2.0	-120.66	375.77	7.34	-113.32
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)O1	REAL300000381995	0	37	-2.0	-107.36	343.17	5.01	-102.35
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C2C1	REAL300000381996	1	42	-2.0	-117.17	366.64	6.12	-111.05
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1C(=O)[O-]	REAL300000381997	0	34	-2.0	-107.84	321.41	5.04	-102.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000381999	1	39	-2.0	-107.16	345.74	7.86	-99.30
CC1=CC=C(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000382000	0	40	-2.0	-116.21	353.72	8.24	-107.97
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000382000	1	39	-3.0	-192.37	354.50	8.31	-184.06
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C=C1C(=O)[O-]	REAL300000382001	0	34	-2.0	-97.83	323.27	4.16	-93.67
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000382002	1	42	-2.0	-112.37	382.15	9.64	-102.73
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1C(=O)[O-]	REAL300000382003	0	30	-2.0	-108.27	303.11	4.25	-104.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=C1C(=O)[O-]	REAL300000382004	1	41	-2.0	-123.00	347.76	8.94	-114.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)C=C1C(=O)[O-]	REAL300000382006	0	34	-2.0	-114.37	313.80	6.33	-108.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C=C1C(=O)[O-]	REAL300000382007	0	30	-2.0	-108.42	307.70	4.32	-104.10
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)OC=C1	REAL300000382008	0	34	-2.0	-119.13	319.11	5.02	-114.11
CC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000382010	0	33	-2.0	-124.25	312.80	4.62	-119.63
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(C)=N1	REAL300000382011	0	43	-2.0	-108.94	369.57	6.31	-102.63
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C(OC)C=C1F	REAL300000382012	0	41	-2.0	-108.82	369.10	6.04	-102.78
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(=O)[O-]	REAL300000382014	0	32	-3.0	-174.99	307.12	4.16	-170.83
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382015	0	35	-2.0	-109.41	314.41	5.69	-103.72
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000382017	1	43	-2.0	-108.25	359.88	7.80	-100.45
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000382018	1	32	-2.0	-101.99	308.93	6.00	-95.99
CC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000382020	0	34	-2.0	-107.26	318.85	4.28	-102.98
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1C(=O)[O-]	REAL300000382021	0	33	-2.0	-123.86	308.90	4.83	-119.03
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1C(=O)[O-]	REAL300000382021	1	33	-2.0	-109.99	304.93	4.59	-105.40
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300000382022	0	35	-2.0	-119.07	315.40	5.51	-113.56
CC1=CC=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C=C1C(=O)[O-]	REAL300000382023	0	41	-2.0	-108.13	342.64	5.67	-102.46
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C=C1C(=O)[O-]	REAL300000382024	0	43	-2.0	-108.16	349.96	6.14	-102.02
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000382026	0	41	-2.0	-108.43	349.08	5.90	-102.53
CC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C=C1C(=O)[O-]	REAL300000382027	0	34	-2.0	-102.27	315.99	4.44	-97.83
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2Br)C=C1C(=O)[O-]	REAL300000382028	0	31	-2.0	-109.15	306.90	3.75	-105.40
CC1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1C(=O)[O-]	REAL300000382032	0	32	-2.0	-94.96	286.87	4.21	-90.75
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1C(=O)[O-]	REAL300000382032	1	32	-2.0	-107.51	297.84	3.31	-104.20
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382034	0	34	-2.0	-123.98	312.65	3.21	-120.77
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382035	0	37	-2.0	-108.86	324.51	4.70	-104.16
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000382036	1	36	-2.0	-110.36	327.46	6.05	-104.31
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C=C1C(=O)[O-]	REAL300000382037	0	31	-2.0	-103.73	286.89	2.90	-100.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(C#N)=C1	REAL300000382038	0	35	-2.0	-118.44	321.16	6.49	-111.95
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)C=C1C(=O)[O-]	REAL300000382039	0	35	-2.0	-116.35	312.84	6.80	-109.55
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C=C1C(=O)[O-]	REAL300000382044	1	38	-2.0	-116.12	349.48	7.61	-108.51
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000382046	0	31	-2.0	-100.98	300.91	1.35	-99.63
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382047	0	45	-2.0	-129.99	383.85	5.23	-124.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382051	0	37	-3.0	-171.61	338.34	5.90	-165.71
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382051	1	38	-2.0	-104.48	325.27	5.70	-98.78
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C(C(N)=O)O1	REAL300000382052	0	35	-2.0	-108.14	321.17	1.16	-106.98
CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1C(=O)[O-]	REAL300000382054	0	31	-2.0	-107.47	306.12	5.55	-101.92
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000382056	0	30	-3.0	-165.70	310.26	5.08	-160.62
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382057	0	47	-2.0	-110.61	396.20	8.31	-102.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1C(=O)[O-]	REAL300000382058	1	36	-2.0	-120.74	317.91	6.05	-114.69
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000382059	0	38	-2.0	-113.24	346.15	5.90	-107.34
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C=C1C(=O)[O-]	REAL300000382060	0	32	-2.0	-114.15	307.50	5.96	-108.19
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000382061	0	34	-2.0	-101.53	336.22	4.82	-96.71
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000382063	1	45	-2.0	-133.39	382.51	7.49	-125.90
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000382064	0	38	-2.0	-108.93	331.57	5.22	-103.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1C(=O)[O-]	REAL300000382065	0	38	-2.0	-106.01	328.95	5.43	-100.58
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1C(=O)[O-]	REAL300000382066	0	41	-2.0	-108.04	354.48	6.25	-101.79
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000382067	0	43	-2.0	-111.87	372.54	8.39	-103.48
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382068	0	44	-2.0	-121.17	386.45	6.92	-114.25
CC1=CC=C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1C(=O)[O-]	REAL300000382069	0	32	-2.0	-93.44	313.25	5.22	-88.22
CC1=CC=C([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)C=C1C(=O)[O-]	REAL300000382070	0	36	-2.0	-117.53	337.41	4.67	-112.86
CC1=CC=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C=C1C(=O)[O-]	REAL300000382071	0	42	-2.0	-117.63	360.78	3.65	-113.98
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C=C1C(=O)[O-]	REAL300000382072	0	37	-2.0	-110.23	348.50	6.45	-103.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C1C(=O)[O-]	REAL300000382073	1	37	-2.0	-108.04	332.41	2.80	-105.24
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C1C(=O)[O-]	REAL300000382074	0	28	-2.0	-110.25	287.49	4.32	-105.93
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000382075	1	35	-2.0	-100.90	327.53	5.10	-95.80
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1C(=O)[O-]	REAL300000382076	0	38	-2.0	-111.04	324.60	5.60	-105.44
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000382077	0	35	-2.0	-108.45	322.84	4.99	-103.46
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000382079	0	41	-2.0	-115.82	355.91	6.94	-108.88
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382080	1	34	-2.0	-107.22	304.61	6.27	-100.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C=C1C(=O)[O-]	REAL300000382081	0	39	-2.0	-122.38	338.83	6.13	-116.25
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C=C1C(=O)[O-]	REAL300000382082	0	39	-2.0	-108.02	350.33	5.21	-102.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C=C1C(=O)[O-]	REAL300000382083	1	39	-2.0	-112.57	350.00	7.75	-104.82
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382084	0	35	-2.0	-115.81	322.15	6.29	-109.52
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000382085	0	37	-2.0	-116.93	335.34	6.17	-110.76
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000382086	1	45	-2.0	-131.62	380.80	7.16	-124.46
CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1C(=O)[O-]	REAL300000382087	0	28	-2.0	-108.47	287.08	4.98	-103.49
CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=NN2C)C=C1C(=O)[O-]	REAL300000382088	0	31	-2.0	-101.74	309.05	3.70	-98.04
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000382089	0	33	-2.0	-101.39	315.83	4.74	-96.65
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382090	0	36	-2.0	-125.84	323.40	5.14	-120.70
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382091	0	33	-2.0	-99.13	295.59	2.88	-96.25
CC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1C(=O)[O-]	REAL300000382093	1	32	-2.0	-100.23	296.53	4.33	-95.90
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1C(=O)[O-]	REAL300000382094	0	34	-2.0	-113.15	320.51	6.97	-106.18
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C1C(=O)[O-]	REAL300000382095	0	34	-2.0	-124.82	326.57	5.25	-119.57
CC1=CC=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C=C1C(=O)[O-]	REAL300000382096	0	38	-2.0	-104.84	332.58	5.31	-99.53
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1OC	REAL300000382098	0	39	-2.0	-114.34	337.39	5.47	-108.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000382100	1	32	-2.0	-101.33	322.19	6.45	-94.88
CC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300000382101	0	34	-2.0	-113.71	311.43	5.83	-107.88
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1OC	REAL300000382102	0	39	-2.0	-121.16	345.15	5.97	-115.19
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C=C1C(=O)[O-]	REAL300000382103	0	44	-2.0	-113.19	370.44	6.45	-106.74
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000382104	0	35	-2.0	-115.28	332.54	7.48	-107.80
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C=C1C(=O)[O-]	REAL300000382105	0	38	-2.0	-111.75	336.95	5.47	-106.28
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000382107	0	34	-2.0	-118.87	311.09	4.75	-114.12
CC1=CC=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000382108	0	36	-2.0	-129.65	326.22	3.94	-125.71
CC1=CC=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000382110	0	38	-2.0	-111.80	322.60	7.47	-104.33
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)C=C1C(=O)[O-]	REAL300000382111	1	35	-2.0	-110.63	309.67	3.25	-107.38
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382112	0	31	-2.0	-108.64	298.95	1.41	-107.23
CC1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1C(=O)[O-]	REAL300000382115	1	34	-2.0	-110.59	319.42	6.03	-104.56
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C=C1C(=O)[O-]	REAL300000382116	0	41	-2.0	-112.48	353.22	5.95	-106.53
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1C(=O)[O-]	REAL300000382118	0	28	-2.0	-109.37	291.57	5.19	-104.18
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000382119	0	41	-2.0	-109.32	355.63	6.19	-103.13
CC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1C(=O)[O-]	REAL300000382120	0	35	-2.0	-114.80	318.41	6.74	-108.06
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000382121	0	42	-2.0	-118.51	384.24	8.46	-110.05
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000382122	1	44	-2.0	-121.19	375.52	4.06	-117.13
COC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000382123	0	40	-2.0	-136.56	347.09	6.75	-129.81
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000382124	1	40	-2.0	-114.20	350.13	7.85	-106.35
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000382125	0	37	-2.0	-103.03	337.94	3.89	-99.14
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C=C1C(=O)[O-]	REAL300000382126	0	32	-2.0	-113.59	306.13	5.90	-107.69
CC1=CC=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C=C1C(=O)[O-]	REAL300000382127	0	38	-2.0	-108.98	327.35	5.07	-103.91
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000382128	0	35	-2.0	-97.75	338.10	6.89	-90.86
COC(=O)C1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000382130	1	43	-2.0	-110.74	382.36	8.46	-102.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C=C1C(=O)[O-]	REAL300000382132	0	40	-2.0	-103.33	328.64	5.43	-97.90
CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000382133	0	40	-2.0	-109.51	346.15	5.27	-104.24
CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1C(=O)[O-]	REAL300000382134	0	38	-2.0	-109.41	330.21	4.64	-104.77
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000382135	0	36	-2.0	-101.15	332.58	5.36	-95.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000382136	1	42	-2.0	-108.51	355.92	6.35	-102.16
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000382137	1	33	-2.0	-95.14	320.70	6.29	-88.85
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000382138	1	34	-2.0	-101.63	326.79	6.62	-95.01
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1C(=O)[O-]	REAL300000382139	1	34	-2.0	-111.87	313.72	6.47	-105.40
CC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C1C(=O)[O-]	REAL300000382140	0	31	-2.0	-109.65	303.24	5.92	-103.73
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000382141	0	31	-2.0	-102.61	313.42	5.65	-96.96
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000382142	0	34	-2.0	-104.25	303.83	3.76	-100.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000382144	1	34	-2.0	-100.75	333.58	6.97	-93.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1C(=O)[O-]	REAL300000382146	1	34	-2.0	-109.65	309.26	6.55	-103.10
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000382147	1	42	-2.0	-120.91	366.24	7.58	-113.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)C=C1C(=O)[O-]	REAL300000382149	1	41	-2.0	-114.36	361.91	7.25	-107.11
CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000382151	0	36	-2.0	-109.17	344.51	6.15	-103.02
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000382152	1	40	-2.0	-113.09	364.15	7.31	-105.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C=C1C(=O)[O-]	REAL300000382153	0	32	-2.0	-110.81	314.29	6.40	-104.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)C=C1C(=O)[O-]	REAL300000382154	0	40	-2.0	-118.51	355.87	5.52	-112.99
CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000382155	0	31	-2.0	-110.89	301.68	5.78	-105.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000382156	1	38	-2.0	-112.75	330.90	7.66	-105.09
COC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=CS1	REAL300000382157	0	32	-2.0	-114.67	303.90	4.00	-110.67
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000382158	0	34	-2.0	-109.05	313.92	7.00	-102.05
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000382159	0	37	-2.0	-106.08	347.84	5.89	-100.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1C(=O)[O-]	REAL300000382160	0	38	-2.0	-114.69	336.38	7.72	-106.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1C(=O)[O-]	REAL300000382161	0	41	-2.0	-106.42	346.41	6.17	-100.25
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382162	0	40	-2.0	-106.28	342.81	5.38	-100.90
CC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)C=C1C(=O)[O-]	REAL300000382165	0	34	-2.0	-119.53	339.67	2.14	-117.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C=C1C(=O)[O-]	REAL300000382166	0	36	-2.0	-121.38	325.28	3.91	-117.47
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)O1	REAL300000382167	0	34	-2.0	-110.56	307.74	5.14	-105.42
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382168	0	43	-2.0	-127.67	372.50	9.20	-118.47
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1C(=O)[O-]	REAL300000382169	0	31	-2.0	-103.49	305.52	4.77	-98.72
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382170	0	35	-2.0	-106.61	322.58	5.47	-101.14
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)C=C1C(=O)[O-]	REAL300000382171	0	45	-2.0	-112.41	384.07	4.79	-107.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C=C1C(=O)[O-]	REAL300000382172	1	37	-2.0	-111.47	334.87	7.08	-104.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000382173	1	35	-2.0	-110.65	320.91	5.13	-105.52
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000382175	0	32	-2.0	-107.77	305.45	4.00	-103.77
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000382176	0	42	-2.0	-128.60	353.05	7.88	-120.72
CC1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1C(=O)[O-]	REAL300000382178	0	34	-2.0	-106.06	314.33	4.24	-101.82
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000382179	1	41	-2.0	-113.30	358.58	6.24	-107.06
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)C=C1C(=O)[O-]	REAL300000382180	0	34	-2.0	-106.66	333.33	5.01	-101.65
CC1=CC=C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C=C1C(=O)[O-]	REAL300000382181	0	41	-2.0	-106.83	361.33	6.74	-100.09
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1C(=O)[O-]	REAL300000382182	0	44	-2.0	-108.47	368.05	6.49	-101.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1C(=O)[O-]	REAL300000382184	1	34	-2.0	-114.73	303.31	6.47	-108.26
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382185	1	43	-2.0	-116.77	368.48	8.16	-108.61
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Br)C(C)=C2)C=C1C(=O)[O-]	REAL300000382186	1	37	-2.0	-107.14	339.38	7.30	-99.84
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1C(=O)[O-]	REAL300000382187	0	34	-2.0	-115.58	311.24	6.04	-109.54
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1C(=O)[O-]	REAL300000382188	1	33	-2.0	-112.64	312.61	4.94	-107.70
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000382189	0	33	-2.0	-108.48	302.38	2.42	-106.06
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1Cl	REAL300000382190	0	34	-2.0	-105.93	323.35	4.47	-101.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C=C1C(=O)[O-]	REAL300000382192	0	33	-2.0	-106.98	326.74	4.92	-102.06
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C=C1C(=O)[O-]	REAL300000382193	0	36	-2.0	-122.95	338.24	6.72	-116.23
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1C(=O)[O-]	REAL300000382194	0	28	-2.0	-106.06	285.48	4.25	-101.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C=C1C(=O)[O-]	REAL300000382195	1	36	-2.0	-120.40	334.87	6.51	-113.89
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000382196	1	40	-2.0	-120.80	340.43	8.39	-112.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C1C(=O)[O-]	REAL300000382199	0	31	-2.0	-106.12	309.17	6.16	-99.96
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)O1	REAL300000382200	0	37	-2.0	-121.99	345.28	1.84	-120.15
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000382201	0	41	-2.0	-114.67	359.43	6.96	-107.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1C(=O)[O-]	REAL300000382205	0	35	-2.0	-112.56	329.55	6.97	-105.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000382206	1	34	-2.0	-101.08	327.12	6.36	-94.72
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C=C1C(=O)[O-]	REAL300000382208	0	27	-2.0	-100.40	285.59	3.97	-96.43
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=NN1	REAL300000382210	0	37	-2.0	-110.26	346.09	3.43	-106.83
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1OC	REAL300000382211	0	36	-2.0	-110.87	335.56	4.22	-106.65
CC1=CC=C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000382212	0	32	-2.0	-94.26	320.93	4.56	-89.70
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000382212	1	31	-3.0	-166.12	318.24	4.58	-161.54
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000382213	0	30	-2.0	-96.82	299.28	4.18	-92.64
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C=C1C(=O)[O-]	REAL300000382214	0	35	-2.0	-109.67	329.83	6.57	-103.10
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000382215	1	35	-2.0	-109.72	327.16	5.20	-104.52
CC1=CC=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C=C1C(=O)[O-]	REAL300000382216	0	37	-2.0	-109.50	326.08	5.48	-104.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000382217	1	38	-2.0	-117.98	335.40	7.31	-110.67
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000382218	0	34	-2.0	-113.09	312.36	6.96	-106.13
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C=C1C(=O)[O-]	REAL300000382219	1	40	-2.0	-107.89	360.56	6.05	-101.84
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=C1C(=O)[O-]	REAL300000382220	0	28	-2.0	-99.85	306.74	5.65	-94.20
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C=C1C(=O)[O-]	REAL300000382221	0	31	-2.0	-105.47	301.51	3.59	-101.88
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382222	0	44	-2.0	-112.53	375.29	7.96	-104.57
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000382223	1	36	-2.0	-110.16	338.34	6.32	-103.84
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000382224	1	42	-2.0	-113.68	371.10	8.43	-105.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000382225	1	37	-2.0	-123.04	319.49	7.38	-115.66
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C=C1C(=O)[O-]	REAL300000382226	0	29	-2.0	-110.95	283.54	4.01	-106.94
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C=C1C(=O)[O-]	REAL300000382227	1	36	-2.0	-107.71	336.52	4.13	-103.58
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C=C1C(=O)[O-]	REAL300000382228	0	32	-2.0	-112.38	323.16	4.33	-108.05
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000382229	0	40	-2.0	-114.42	363.58	4.60	-109.82
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000382229	1	39	-3.0	-177.73	365.64	3.50	-174.23
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000382230	0	33	-2.0	-101.34	309.41	4.94	-96.40
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000382231	1	42	-2.0	-114.38	365.33	7.17	-107.21
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000382232	0	41	-2.0	-111.96	358.49	6.33	-105.63
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000382233	0	35	-2.0	-118.43	319.71	4.91	-113.52
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C=C1C(=O)[O-]	REAL300000382234	1	37	-2.0	-109.25	344.32	8.33	-100.92
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000382237	0	34	-2.0	-114.74	337.97	6.47	-108.27
CCC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1Br	REAL300000382238	1	37	-2.0	-106.26	340.72	7.43	-98.83
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000382239	0	44	-2.0	-107.56	368.42	6.74	-100.82
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1C(=O)[O-]	REAL300000382240	0	28	-2.0	-108.64	284.52	4.16	-104.48
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1C(=O)[O-]	REAL300000382241	0	28	-2.0	-104.64	290.47	5.06	-99.58
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000382242	0	45	-2.0	-118.73	386.49	5.84	-112.89
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C=C1C(=O)[O-]	REAL300000382243	0	37	-2.0	-115.02	340.53	8.39	-106.63
CC1=CC=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C=C1C(=O)[O-]	REAL300000382244	0	39	-2.0	-107.86	338.01	3.39	-104.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(C)=N1	REAL300000382249	1	37	-2.0	-104.35	324.51	2.99	-101.36
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382250	0	37	-2.0	-115.36	329.05	3.38	-111.98
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382252	0	34	-2.0	-108.98	324.36	3.24	-105.74
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000382253	1	37	-2.0	-105.63	328.97	2.96	-102.67
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000382254	0	40	-2.0	-108.67	349.08	5.64	-103.03
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382255	0	40	-2.0	-109.69	345.26	5.28	-104.41
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C1C(=O)[O-]	REAL300000382256	0	30	-2.0	-107.33	308.99	3.53	-103.80
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C=C1C(=O)[O-]	REAL300000382257	0	29	-2.0	-112.62	288.68	4.06	-108.56
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C=C1C(=O)[O-]	REAL300000382258	0	29	-2.0	-111.57	297.78	4.98	-106.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C=C1C(=O)[O-]	REAL300000382260	0	37	-2.0	-105.72	324.58	4.75	-100.97
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000382261	0	39	-2.0	-103.21	348.45	4.93	-98.28
CC1=CC=C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C(=O)[O-]	REAL300000382262	0	41	-2.0	-104.21	358.84	7.95	-96.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C(=O)[O-]	REAL300000382262	1	40	-3.0	-173.00	356.27	8.00	-165.00
CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000382263	0	34	-2.0	-116.96	323.48	7.37	-109.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1C(=O)[O-]	REAL300000382264	0	38	-2.0	-104.72	333.86	5.66	-99.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000382265	0	38	-2.0	-114.32	341.60	6.63	-107.69
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C(C)C	REAL300000382267	0	40	-2.0	-109.35	346.15	5.29	-104.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=C1C(=O)[O-]	REAL300000382268	1	38	-2.0	-118.98	341.55	7.75	-111.23
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000382269	0	33	-2.0	-104.96	309.03	4.57	-100.39
CC1=CC=C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)C=C1C(=O)[O-]	REAL300000382270	0	31	-2.0	-109.74	325.14	1.78	-107.96
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C=C1C(=O)[O-]	REAL300000382274	0	35	-2.0	-113.43	332.11	6.01	-107.42
CC1=CC=C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C(=O)[O-]	REAL300000382275	0	41	-2.0	-116.29	358.04	7.99	-108.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C(=O)[O-]	REAL300000382275	1	40	-3.0	-183.29	355.56	8.00	-175.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1C(=O)[O-]	REAL300000382276	1	32	-2.0	-113.53	296.76	2.79	-110.74
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382277	1	40	-2.0	-115.51	346.62	7.23	-108.28
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C1C(=O)[O-]	REAL300000382278	0	34	-2.0	-119.96	321.33	6.54	-113.42
CC1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000382279	0	35	-2.0	-120.36	329.54	4.81	-115.55
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=C1C(=O)[O-]	REAL300000382280	1	38	-2.0	-119.54	337.48	7.84	-111.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2Cl)C=C1C(=O)[O-]	REAL300000382281	0	34	-2.0	-110.47	328.72	7.15	-103.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C=C1C(=O)[O-]	REAL300000382282	0	35	-2.0	-106.07	333.14	5.40	-100.67
CC1=CC=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000382283	0	38	-2.0	-110.99	349.60	6.59	-104.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C(C(F)F)=C1	REAL300000382284	1	38	-2.0	-118.42	336.19	6.24	-112.18
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3)C=C2C1	REAL300000382286	1	44	-2.0	-114.47	381.02	8.07	-106.40
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382287	0	36	-2.0	-118.39	322.45	5.13	-113.26
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382288	0	37	-2.0	-107.74	346.48	3.70	-104.04
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382289	0	37	-2.0	-129.09	334.00	7.16	-121.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000382290	0	39	-2.0	-128.42	339.38	6.71	-121.71
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000382291	0	36	-3.0	-170.93	332.26	6.10	-164.83
CCC1=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000382291	1	37	-2.0	-105.28	337.06	5.96	-99.32
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000382292	0	44	-2.0	-121.35	371.87	7.60	-113.75
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000382293	1	31	-2.0	-103.37	306.93	5.94	-97.43
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C=C1C(=O)[O-]	REAL300000382294	0	38	-2.0	-112.73	354.36	6.50	-106.23
CC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1C(=O)[O-]	REAL300000382295	0	38	-2.0	-110.49	327.38	4.86	-105.63
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000382296	0	34	-2.0	-117.77	312.65	6.37	-111.40
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C(OC)C(OC)=C1	REAL300000382297	0	42	-2.0	-103.15	382.75	5.01	-98.14
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(OC)C(OC)=C1	REAL300000382298	0	42	-2.0	-116.64	382.76	5.01	-111.63
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(OC)C(OC)=C1	REAL300000382299	0	43	-2.0	-114.69	389.41	4.36	-110.33
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(OC)C(OC)=C1	REAL300000382300	0	42	-2.0	-110.28	385.77	4.14	-106.14
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(OC)C(OC)=C1	REAL300000382301	0	41	-2.0	-113.45	378.97	3.12	-110.33
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000382302	1	43	-2.0	-106.60	388.74	3.54	-103.06
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000382304	1	43	-2.0	-109.05	384.22	3.51	-105.54
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000382306	0	43	-2.0	-106.25	389.69	3.57	-102.68
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000382307	0	40	-2.0	-103.29	377.39	2.52	-100.77
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000382308	1	46	-2.0	-110.21	399.64	4.29	-105.92
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000382309	1	44	-2.0	-107.40	390.86	2.86	-104.54
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000382310	0	43	-2.0	-99.02	393.32	3.18	-95.84
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000382311	0	40	-2.0	-104.80	375.86	2.54	-102.26
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000382312	0	43	-2.0	-103.19	387.24	2.65	-100.54
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000382313	1	43	-2.0	-106.63	392.81	3.40	-103.23
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000382314	1	43	-2.0	-95.84	388.74	3.56	-92.28
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000382315	0	40	-2.0	-97.84	376.47	2.63	-95.21
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000382316	1	43	-2.0	-99.88	390.61	3.58	-96.30
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000382317	0	43	-2.0	-95.53	389.67	3.58	-91.95
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000382318	0	44	-2.0	-109.09	393.92	1.21	-107.88
CCNC(=O)NCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000382318	1	44	-2.0	-109.56	393.11	2.01	-107.55
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000382319	1	46	-2.0	-99.88	406.37	4.29	-95.59
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000382320	1	46	-2.0	-105.28	398.03	4.25	-101.03
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000382322	1	47	-2.0	-108.75	412.23	3.73	-105.02
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000382324	0	43	-2.0	-111.84	387.87	3.54	-108.30
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000382325	0	42	-2.0	-106.52	380.42	1.62	-104.90
CCNC(=O)NCC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000382326	0	46	-2.0	-103.18	406.33	3.49	-99.69
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC(N3C=CC=N3)CC3=CC=CC=C32)=C1	REAL300000382336	0	43	-2.0	-119.55	371.21	6.89	-112.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)=CC=C1F	REAL300000382342	1	28	-2.0	-97.77	297.23	5.70	-92.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)=C1	REAL300000382344	1	28	-2.0	-99.96	292.69	5.67	-94.29
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)=C1	REAL300000382346	0	28	-2.0	-97.54	298.17	5.74	-91.80
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)=C1	REAL300000382347	0	25	-2.0	-94.49	285.87	4.69	-89.80
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(Br)=C1	REAL300000382348	1	31	-2.0	-98.16	308.12	6.45	-91.71
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)C=C1C(=O)[O-]	REAL300000382349	1	29	-2.0	-98.33	299.33	5.03	-93.30
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)=C1	REAL300000382350	0	28	-2.0	-88.14	301.81	5.35	-82.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)=CS1	REAL300000382351	0	25	-2.0	-95.82	284.34	4.71	-91.11
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)C=C(C(=O)[O-])O1	REAL300000382352	0	28	-2.0	-94.90	295.70	4.81	-90.09
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)C=C(C(=O)[O-])S1	REAL300000382353	1	28	-2.0	-98.27	301.29	5.56	-92.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)C=C1F	REAL300000382354	1	28	-2.0	-87.70	297.22	5.71	-81.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)S1	REAL300000382355	0	25	-2.0	-89.58	284.96	4.80	-84.78
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)=C1	REAL300000382356	1	28	-2.0	-91.04	299.10	5.74	-85.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)C(F)=C1	REAL300000382357	0	28	-2.0	-87.07	298.15	5.74	-81.33
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)=C1	REAL300000382358	0	29	-2.0	-100.95	302.41	3.39	-97.56
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(F)C(Br)=C2)=C1	REAL300000382358	1	29	-2.0	-101.62	301.58	4.17	-97.45
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)C=C1	REAL300000382359	1	31	-2.0	-91.45	314.87	6.45	-85.00
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(Br)=C1	REAL300000382360	1	31	-2.0	-95.53	302.76	6.31	-89.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)C=C1C(=O)[O-]	REAL300000382362	1	32	-2.0	-99.36	320.71	5.88	-93.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)=C1F	REAL300000382364	0	28	-2.0	-101.21	296.35	5.71	-95.50
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)=C1	REAL300000382365	0	27	-2.0	-94.07	289.67	3.73	-90.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)=C(Cl)O1	REAL300000382366	0	25	-2.0	-88.55	292.84	4.65	-83.90
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2)C=C(C(=O)[O-])O1	REAL300000382367	0	31	-2.0	-94.77	314.82	5.66	-89.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)=CC=C1F	REAL300000382368	1	41	-2.0	-117.05	367.27	4.80	-112.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)C=C1	REAL300000382369	1	41	-2.0	-105.49	362.69	4.77	-100.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)=C1	REAL300000382370	1	41	-2.0	-116.75	362.71	4.76	-111.99
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)C=C1C(=O)[O-]	REAL300000382371	1	44	-2.0	-118.09	377.74	5.27	-112.82
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)=C1	REAL300000382372	0	41	-2.0	-114.35	368.19	4.82	-109.53
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)=C1	REAL300000382373	0	38	-2.0	-111.26	355.90	3.77	-107.49
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCCNC2=O)=C1	REAL300000382374	1	44	-2.0	-117.07	378.14	5.54	-111.53
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)C=C1C(=O)[O-]	REAL300000382375	0	42	-2.0	-115.51	369.36	4.13	-111.38
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)=C1	REAL300000382376	0	41	-2.0	-108.86	371.83	4.45	-104.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)=CS1	REAL300000382377	0	38	-2.0	-112.69	354.36	3.79	-108.90
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000382378	0	41	-2.0	-110.33	365.72	3.89	-106.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)C=C(C(=O)[O-])S1	REAL300000382379	0	41	-2.0	-113.66	371.31	4.65	-109.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)C=C1F	REAL300000382380	1	41	-2.0	-104.54	367.23	4.80	-99.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)S1	REAL300000382381	0	38	-2.0	-107.52	354.98	3.89	-103.63
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)=C1	REAL300000382382	1	41	-2.0	-107.83	369.12	4.83	-103.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)C(F)=C1	REAL300000382383	0	41	-2.0	-105.29	368.18	4.83	-100.46
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)=C1	REAL300000382384	0	42	-2.0	-115.94	372.43	2.47	-113.47
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(N3CCCNC3=O)=C2)=C1	REAL300000382384	1	42	-2.0	-109.68	370.60	3.32	-106.36
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)C=C1	REAL300000382385	1	44	-2.0	-108.86	384.88	5.54	-103.32
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2CCCNC2=O)=C1	REAL300000382386	1	44	-2.0	-118.64	372.31	5.40	-113.24
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)C=C1C(=O)[O-]	REAL300000382388	0	45	-2.0	-116.81	390.73	4.99	-111.82
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)=CC=C1C(=O)[O-]	REAL300000382389	1	44	-2.0	-103.12	377.66	5.28	-97.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)=C1F	REAL300000382390	0	41	-2.0	-124.69	366.33	4.79	-119.90
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)=C1	REAL300000382391	0	40	-2.0	-114.51	359.70	2.82	-111.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)=C(Cl)O1	REAL300000382392	0	38	-2.0	-104.81	362.86	3.74	-101.07
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCCNC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000382393	0	44	-2.0	-109.99	384.84	4.75	-105.24
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C(F)C=C(F)C=C2F)=C1	REAL300000382421	0	31	-2.0	-105.89	314.17	5.85	-100.04
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(F)C=C(F)C=C2F)=C1	REAL300000382446	0	29	-2.0	-105.22	281.96	3.04	-102.18
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)OC	REAL300000382485	1	40	-2.0	-91.63	371.22	6.65	-84.98
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(=O)OC	REAL300000382486	1	40	-2.0	-102.63	371.21	6.65	-95.98
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(=O)OC	REAL300000382487	0	37	-2.0	-97.40	364.38	5.67	-91.73
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(=O)OC	REAL300000382488	0	41	-2.0	-101.24	377.87	6.00	-95.24
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(=O)OC	REAL300000382489	0	37	-2.0	-99.21	362.86	5.69	-93.52
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C(=O)OC	REAL300000382490	0	40	-2.0	-97.20	374.21	5.79	-91.41
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(=O)OC	REAL300000382491	0	37	-2.0	-93.00	363.47	5.77	-87.23
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(=O)OC	REAL300000382492	0	39	-2.0	-99.41	368.18	4.71	-94.70
CC1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000382520	0	39	-2.0	-110.87	343.89	6.84	-104.03
CC1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000382545	0	37	-2.0	-107.96	325.49	5.06	-102.90
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Br	REAL300000382580	1	32	-2.0	-90.04	315.56	4.98	-85.06
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300000382581	1	32	-2.0	-101.98	315.57	4.97	-97.01
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Br	REAL300000382582	0	29	-2.0	-96.33	308.75	3.99	-92.34
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1Br	REAL300000382583	0	33	-2.0	-100.44	322.22	4.32	-96.12
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Br	REAL300000382584	0	29	-2.0	-97.87	307.22	4.01	-93.86
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1Br	REAL300000382585	0	32	-2.0	-96.31	318.58	4.11	-92.20
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Br	REAL300000382586	0	29	-2.0	-91.40	307.84	4.11	-87.29
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Br	REAL300000382587	0	31	-2.0	-99.24	312.56	3.03	-96.21
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)O1	REAL300000382588	0	39	-2.0	-94.85	368.91	1.33	-93.52
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300000382589	0	32	-2.0	-111.20	316.99	2.77	-108.43
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C)O1	REAL300000382590	0	40	-2.0	-111.00	372.08	3.85	-107.15
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)O1	REAL300000382591	0	32	-2.0	-101.42	312.44	2.75	-98.67
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)O1	REAL300000382592	0	32	-2.0	-113.58	312.46	2.74	-110.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C)O1	REAL300000382593	0	36	-2.0	-117.56	340.60	2.55	-115.01
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)O1	REAL300000382594	0	36	-2.0	-100.81	343.91	4.04	-96.77
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)O1	REAL300000382595	0	35	-2.0	-114.72	328.50	3.28	-111.44
CC1=CC=C(C(=O)[N-]NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)O1	REAL300000382595	1	35	-2.0	-111.14	328.24	2.22	-108.92
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)O1	REAL300000382596	0	32	-2.0	-108.01	325.52	3.30	-104.71
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000382597	0	32	-2.0	-109.51	324.96	3.13	-106.38
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)O1	REAL300000382598	0	32	-2.0	-103.73	338.02	3.68	-100.05
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)O1	REAL300000382599	0	38	-2.0	-114.79	345.13	4.02	-110.77
CC1=CC=C(C(=O)[N-]NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)O1	REAL300000382599	1	38	-2.0	-103.79	335.33	3.85	-99.94
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)O1	REAL300000382600	0	32	-2.0	-109.62	317.93	2.81	-106.81
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)O1	REAL300000382601	0	38	-2.0	-99.76	356.02	4.33	-95.43
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)O1	REAL300000382602	0	29	-2.0	-107.64	305.64	1.77	-105.87
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)O1	REAL300000382603	0	35	-2.0	-112.69	327.89	3.51	-109.18
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300000382604	0	36	-2.0	-99.53	343.52	3.03	-96.50
CC1=CC=C(C(=O)[N-]NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300000382604	1	36	-2.0	-95.59	343.28	1.98	-93.61
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)O1	REAL300000382605	0	33	-2.0	-112.31	319.10	2.10	-110.21
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)O1	REAL300000382606	0	36	-2.0	-113.37	336.66	1.55	-111.82
CC1=CC=C(C(=O)[N-]NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)O1	REAL300000382606	1	36	-2.0	-108.85	336.51	0.50	-108.35
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)O1	REAL300000382607	0	32	-2.0	-104.05	321.57	2.43	-101.62
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)O1	REAL300000382608	0	38	-2.0	-114.18	343.52	4.01	-110.17
CC1=CC=C(C(=O)[N-]NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)O1	REAL300000382608	1	38	-2.0	-108.60	343.63	2.98	-105.62
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)O1	REAL300000382609	0	29	-2.0	-109.28	304.10	1.78	-107.50
COC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)O2)=CC(C(=O)[O-])=C1OC	REAL300000382610	0	40	-2.0	-114.14	370.78	2.55	-111.59
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)O2)C=C1C(=O)[O-]	REAL300000382611	0	36	-2.0	-119.48	339.74	2.81	-116.67
COC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=C(C)O2)C=C1C(=O)[O-]	REAL300000382611	1	36	-2.0	-116.55	339.50	1.76	-114.79
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)O1	REAL300000382612	0	42	-2.0	-116.53	367.69	5.27	-111.26
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)O1	REAL300000382613	0	41	-2.0	-114.76	366.35	4.72	-110.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C)O1	REAL300000382614	0	38	-2.0	-110.53	342.63	4.26	-106.27
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C)O1	REAL300000382615	0	39	-2.0	-116.56	362.89	3.31	-113.25
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)O1	REAL300000382616	0	34	-3.0	-189.35	340.87	3.30	-186.05
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)O1	REAL300000382617	0	39	-2.0	-116.88	356.71	4.62	-112.26
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)O1	REAL300000382618	0	32	-2.0	-106.39	315.47	1.89	-104.50
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)O1	REAL300000382619	0	38	-2.0	-118.50	354.62	2.51	-115.99
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)O1	REAL300000382620	0	36	-2.0	-116.71	341.36	1.84	-114.87
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)O1	REAL300000382621	0	40	-2.0	-100.79	366.09	3.35	-97.44
CC1=CC=C(C(=O)[N-]NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)O1	REAL300000382621	1	40	-2.0	-96.89	365.84	2.31	-94.58
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000382622	0	32	-2.0	-103.25	340.14	3.59	-99.66
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)O1	REAL300000382623	0	32	-2.0	-104.87	330.04	3.32	-101.55
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)O1	REAL300000382624	0	36	-2.0	-98.03	359.55	3.57	-94.46
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)O1	REAL300000382625	0	39	-2.0	-99.98	363.61	3.73	-96.25
CC1=CC=C(C(=O)[N-]NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)O1	REAL300000382625	1	39	-2.0	-95.95	363.37	2.68	-93.27
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)O1	REAL300000382626	0	35	-2.0	-103.71	333.16	3.54	-100.17
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)O1	REAL300000382627	0	45	-2.0	-99.82	406.04	4.66	-95.16
CC1=CC=C(C(=O)[N-]NS(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)O1	REAL300000382627	1	45	-2.0	-95.54	405.81	3.61	-91.93
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)O1	REAL300000382628	0	36	-2.0	-99.04	349.75	3.09	-95.95
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)O2)C=C1C(=O)[O-]	REAL300000382629	0	39	-2.0	-120.19	361.59	3.72	-116.47
CCOC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=C(C)O2)C=C1C(=O)[O-]	REAL300000382629	1	39	-2.0	-112.31	361.35	2.66	-109.65
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)O1	REAL300000382630	0	32	-2.0	-109.38	321.08	2.64	-106.74
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)O1	REAL300000382631	0	32	-2.0	-102.05	340.68	3.75	-98.30
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)O1	REAL300000382632	0	32	-2.0	-99.03	325.50	3.29	-95.74
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300000382633	0	32	-2.0	-100.98	316.98	2.78	-98.20
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)O1	REAL300000382634	0	29	-2.0	-102.75	304.72	1.87	-100.88
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)O1	REAL300000382635	0	32	-2.0	-104.54	318.86	2.81	-101.73
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)O1	REAL300000382636	0	35	-2.0	-110.96	338.22	3.45	-107.51
COC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)O2)=C(Cl)C=C1C(=O)[O-]	REAL300000382637	0	36	-2.0	-103.78	352.77	3.36	-100.42
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)O1	REAL300000382638	0	32	-2.0	-100.93	317.94	2.81	-98.12
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300000382639	0	32	-2.0	-98.96	324.95	3.14	-95.82
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)O1	REAL300000382640	0	35	-2.0	-105.25	341.90	3.93	-101.32
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)O1	REAL300000382641	0	40	-2.0	-97.40	376.20	4.15	-93.25
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)O1	REAL300000382642	0	32	-2.0	-102.82	323.28	2.84	-99.98
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)O1	REAL300000382643	0	34	-2.0	-98.73	340.65	3.41	-95.32
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)O1	REAL300000382644	0	33	-2.0	-110.88	322.17	0.47	-110.41
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])O1	REAL300000382644	1	32	-3.0	-210.24	318.61	1.35	-208.89
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)O1	REAL300000382645	0	35	-2.0	-103.77	334.62	3.53	-100.24
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)O1	REAL300000382646	0	32	-2.0	-104.25	333.17	3.27	-100.98
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)O1	REAL300000382647	0	35	-2.0	-111.15	322.00	3.35	-107.80
CC1=CC=C(C(=O)[N-]NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)O1	REAL300000382647	1	35	-2.0	-107.46	316.90	2.92	-104.54
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)O1	REAL300000382648	0	35	-2.0	-112.56	337.30	3.39	-109.17
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)O1	REAL300000382649	0	35	-2.0	-101.18	327.87	3.51	-97.67
CC1=CC=C(C(=O)[N-]NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)O1	REAL300000382649	1	35	-2.0	-96.12	318.42	3.31	-92.81
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)O1	REAL300000382650	0	38	-2.0	-118.14	349.26	3.91	-114.23
CC1=CC=C(C(=O)[N-]NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)O1	REAL300000382650	1	38	-2.0	-114.27	349.02	2.86	-111.41
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)O1	REAL300000382651	0	34	-2.0	-112.17	339.03	3.83	-108.34
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)O1	REAL300000382652	0	32	-2.0	-101.60	324.21	2.87	-98.73
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)O1	REAL300000382653	0	38	-2.0	-115.59	345.85	4.07	-111.52
CC1=CC=C(C(=O)[N-]NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)O1	REAL300000382653	1	38	-2.0	-111.00	345.97	3.06	-107.94
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)O1	REAL300000382654	0	35	-2.0	-110.66	333.93	3.34	-107.32
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)O1	REAL300000382655	0	35	-2.0	-109.72	344.22	3.87	-105.85
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)O1	REAL300000382656	0	35	-2.0	-119.92	337.47	3.43	-116.49
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)O2)C=C1C(=O)[O-]	REAL300000382657	0	38	-2.0	-115.41	346.39	3.93	-111.48
CCC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=C(C)O2)C=C1C(=O)[O-]	REAL300000382657	1	38	-2.0	-111.72	346.46	2.88	-108.84
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)O2)C=C1CC(=O)[O-]	REAL300000382658	0	39	-2.0	-114.04	362.92	2.87	-111.17
COC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=C(C)O2)C=C1CC(=O)[O-]	REAL300000382658	1	39	-2.0	-108.82	362.68	1.82	-107.00
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)O1	REAL300000382659	0	35	-2.0	-104.06	338.72	3.85	-100.21
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)O1	REAL300000382660	0	35	-2.0	-98.01	342.57	3.56	-94.45
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000382661	0	35	-2.0	-111.23	343.69	3.70	-107.53
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)O2)C=C1C(=O)[O-]	REAL300000382662	0	36	-2.0	-113.56	340.47	2.95	-110.61
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)O1	REAL300000382663	0	44	-2.0	-112.41	377.45	5.58	-106.83
CC1=CC=C(C(=O)[N-]NS(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)O1	REAL300000382663	1	44	-2.0	-103.80	375.37	4.73	-99.07
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)O1	REAL300000382664	0	32	-2.0	-100.38	338.04	3.30	-97.08
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)O1	REAL300000382665	0	35	-2.0	-108.33	346.20	3.81	-104.52
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)O1	REAL300000382666	0	41	-2.0	-109.48	362.17	4.65	-104.83
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)O2)C=C1C(=O)[O-]	REAL300000382667	0	36	-2.0	-113.60	352.77	3.36	-110.24
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)O1	REAL300000382668	0	35	-2.0	-101.46	328.46	3.29	-98.17
CC1=CC=C(C(=O)[N-]NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)O1	REAL300000382668	1	35	-2.0	-97.74	328.22	2.23	-95.51
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300000382669	0	37	-2.0	-107.90	353.17	4.80	-103.10
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)O1	REAL300000382670	0	35	-2.0	-110.14	332.41	3.55	-106.59
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])O1	REAL300000382671	0	34	-2.0	-122.44	336.21	4.60	-117.84
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)O1	REAL300000382672	0	32	-2.0	-119.22	316.11	2.78	-116.44
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)O1	REAL300000382673	0	35	-2.0	-106.50	337.40	3.42	-103.08
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)O1	REAL300000382674	0	38	-2.0	-121.88	353.49	4.86	-117.02
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)O1	REAL300000382675	0	31	-2.0	-111.12	308.67	0.87	-110.25
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C)O1	REAL300000382676	0	36	-2.0	-105.47	340.66	2.55	-102.92
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)O1	REAL300000382677	0	29	-2.0	-100.71	312.60	1.72	-98.99
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)O1	REAL300000382678	0	39	-2.0	-107.72	356.43	4.57	-103.15
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)O1	REAL300000382679	0	39	-2.0	-113.07	357.91	4.63	-108.44
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)O2)C=C(C(=O)[O-])O1	REAL300000382680	0	35	-2.0	-106.01	334.61	2.67	-103.34
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000382681	1	38	-2.0	-101.04	350.80	4.98	-96.06
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1F	REAL300000382682	1	38	-2.0	-90.26	345.24	4.99	-85.27
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000382683	1	38	-2.0	-100.50	345.52	4.97	-95.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)N(C)C)=C1	REAL300000382684	0	42	-2.0	-106.26	372.85	4.76	-101.50
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1F	REAL300000382685	1	42	-2.0	-90.34	377.05	6.26	-84.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000382686	1	41	-2.0	-102.73	365.01	5.59	-97.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)N(C)C)=C2)=C1C	REAL300000382687	1	44	-2.0	-104.20	377.43	6.26	-97.94
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000382688	0	38	-2.0	-98.84	351.00	5.03	-93.81
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000382689	1	44	-2.0	-89.48	385.12	6.50	-82.98
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000382690	0	35	-2.0	-95.73	337.88	3.98	-91.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)N(C)C)=C1	REAL300000382691	1	41	-2.0	-102.26	361.75	5.77	-96.49
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000382693	1	39	-2.0	-99.64	352.91	4.30	-95.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)N(C)C)=C2)=C1	REAL300000382695	0	38	-2.0	-93.30	353.83	4.65	-88.65
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000382697	0	35	-2.0	-98.62	337.18	4.00	-94.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)N(C)C)=C1	REAL300000382699	1	44	-2.0	-101.32	375.71	6.66	-94.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000382700	0	38	-2.0	-95.82	348.18	4.11	-91.71
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)N(C)C)=C2)=C1	REAL300000382701	0	42	-2.0	-103.72	373.69	4.05	-99.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)N(C)C)=C1	REAL300000382702	1	41	-2.0	-93.86	366.29	5.76	-88.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)N(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000382703	1	38	-2.0	-99.59	354.13	4.85	-94.74
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000382704	1	38	-2.0	-90.19	350.80	4.99	-85.20
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000382705	0	35	-2.0	-92.59	337.79	4.09	-88.50
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000382706	1	38	-2.0	-92.34	352.67	5.02	-87.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)N(C)C)=C2)=C1F	REAL300000382707	0	41	-2.0	-100.12	371.28	5.67	-94.45
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000382708	0	38	-2.0	-90.08	351.03	5.01	-85.07
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000382709	0	39	-2.0	-101.89	355.28	2.65	-99.24
CN(C)C(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000382709	1	39	-2.0	-106.06	343.93	3.57	-102.49
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000382710	1	41	-2.0	-93.67	367.78	5.75	-87.92
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)N(C)C)=C1	REAL300000382711	1	41	-2.0	-99.38	355.81	5.61	-93.77
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)N(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000382712	1	41	-2.0	-100.34	370.40	5.61	-94.73
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000382716	0	41	-2.0	-99.34	366.13	5.55	-93.79
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)N(C)C)=C2)=C1	REAL300000382717	0	41	-2.0	-107.22	371.32	5.68	-101.54
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000382718	1	44	-2.0	-103.92	377.98	6.13	-97.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000382719	0	42	-2.0	-102.08	369.62	5.11	-96.97
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000382722	0	38	-2.0	-106.40	348.38	5.00	-101.40
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000382723	1	41	-2.0	-96.33	370.63	5.63	-90.70
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000382724	0	37	-2.0	-99.09	341.69	3.01	-96.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)N(C)C)=C1	REAL300000382725	0	42	-2.0	-94.33	373.24	4.75	-89.58
CN(C)C(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000382726	0	35	-2.0	-90.01	345.33	3.95	-86.06
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000382727	0	41	-2.0	-96.16	367.17	4.94	-91.22
CC1=C(COC(C)(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000382730	1	47	-2.0	-108.62	391.57	7.70	-100.92
CC1=C(COC(C)(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000382732	0	47	-2.0	-106.18	397.04	7.76	-98.42
CC1=C(COC(C)(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000382733	0	44	-2.0	-102.71	384.75	6.71	-96.00
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)(C)C)=C1C	REAL300000382734	1	50	-2.0	-109.95	407.00	8.48	-101.47
CC1=C(COC(C)(C)C)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000382735	1	48	-2.0	-106.90	398.21	7.04	-99.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2C)=C1	REAL300000382736	0	47	-2.0	-98.75	400.70	7.38	-91.37
CC1=C(COC(C)(C)C)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000382737	0	44	-2.0	-104.16	383.22	6.73	-97.43
CC1=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2C)C=C(C(=O)[O-])O1	REAL300000382738	0	47	-2.0	-102.46	394.57	6.83	-95.63
CC1=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2C)C=C(C(=O)[O-])S1	REAL300000382739	1	47	-2.0	-106.06	401.26	7.58	-98.48
CC1=C(COC(C)(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000382740	1	47	-2.0	-95.21	396.08	7.74	-87.47
CC1=C(COC(C)(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000382741	0	44	-2.0	-97.54	383.81	6.83	-90.71
CC1=C(COC(C)(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000382742	1	47	-2.0	-99.26	397.98	7.76	-91.50
CC1=C(COC(C)(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000382743	0	47	-2.0	-95.10	397.04	7.77	-87.33
CC1=C(COC(C)(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000382744	0	48	-2.0	-108.91	401.28	5.41	-103.50
CC1=C(COC(C)(C)C)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000382744	1	48	-2.0	-105.63	395.25	6.25	-99.38
CC1=C(COC(C)(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000382745	1	50	-2.0	-99.69	413.75	8.47	-91.22
CC1=C(COC(C)(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000382746	1	50	-2.0	-104.27	401.60	8.34	-95.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2C)C=C1C(=O)[O-]	REAL300000382748	1	51	-2.0	-108.22	419.51	7.90	-100.32
CC1=C(COC(C)(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000382750	0	47	-2.0	-112.25	395.20	7.72	-104.53
CC1=C(COC(C)(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000382751	0	46	-2.0	-106.17	388.55	5.76	-100.41
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2C)C=C(C(=O)[O-])O1	REAL300000382752	0	50	-2.0	-102.47	413.69	7.68	-94.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(=O)C(F)(F)F)C=C2)C=C1	REAL300000382753	1	33	-2.0	-95.49	337.53	4.20	-91.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(S(=O)C(F)(F)F)C=C2)=C1	REAL300000382754	1	33	-2.0	-106.71	337.55	4.18	-102.53
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(S(=O)C(F)(F)F)C=C2)=C1	REAL300000382755	0	30	-2.0	-107.52	330.72	3.20	-104.32
CN1C=C(S(=O)(=O)[N-]C2=CC=C(S(=O)C(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000382756	0	34	-2.0	-105.36	344.19	3.54	-101.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(S(=O)C(F)(F)F)C=C2)=CS1	REAL300000382757	0	30	-2.0	-108.31	329.19	3.22	-105.09
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(=O)C(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000382758	0	33	-2.0	-100.82	340.57	3.33	-97.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(=O)C(F)(F)F)C=C2)S1	REAL300000382759	0	30	-2.0	-97.12	329.80	3.31	-93.81
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(S(=O)C(F)(F)F)C=C2)=C1	REAL300000382760	0	32	-2.0	-110.36	333.75	2.30	-108.06
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=CC=C1C	REAL300000382761	1	43	-2.0	-134.08	377.41	7.94	-126.14
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)OC)=C1	REAL300000382762	1	40	-2.0	-132.69	361.98	7.17	-125.52
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000382765	0	34	-2.0	-137.84	315.69	6.78	-131.06
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000382766	0	37	-2.0	-117.03	339.20	6.17	-110.86
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000382767	0	33	-2.0	-117.66	319.06	5.13	-112.53
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000382768	1	35	-2.0	-125.21	328.02	6.91	-118.30
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000382769	1	35	-2.0	-120.67	328.01	6.90	-113.77
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000382770	0	34	-2.0	-124.83	329.41	7.10	-117.73
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000382771	0	35	-2.0	-135.87	325.25	6.78	-129.09
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300000382772	1	37	-2.0	-123.24	346.68	7.70	-115.54
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1Br	REAL300000382773	0	34	-2.0	-128.78	323.68	7.20	-121.58
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000382776	0	37	-2.0	-144.06	338.70	7.05	-137.01
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300000382778	0	38	-2.0	-120.92	353.52	8.47	-112.45
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000382779	1	43	-2.0	-127.09	370.01	6.45	-120.64
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300000382780	1	39	-2.0	-126.45	351.40	7.71	-118.74
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)S1	REAL300000382781	0	31	-2.0	-120.86	320.81	6.24	-114.62
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000382784	1	37	-2.0	-120.23	345.92	7.51	-112.72
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000382786	0	37	-2.0	-112.40	334.13	7.02	-105.38
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300000382787	0	42	-2.0	-139.21	364.92	5.59	-133.62
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300000382788	1	42	-2.0	-127.11	365.92	5.72	-121.39
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)ON=C1C	REAL300000382790	0	36	-2.0	-116.41	322.12	5.43	-110.98
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000382791	1	34	-2.0	-119.04	339.10	7.49	-111.55
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000382792	0	37	-2.0	-103.68	334.22	7.01	-96.67
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000382792	1	36	-3.0	-198.41	335.65	7.07	-191.34
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000382793	1	34	-2.0	-117.70	319.89	6.63	-111.07
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000382794	0	34	-2.0	-124.86	337.06	7.59	-117.27
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000382795	1	37	-2.0	-124.90	345.93	7.51	-117.39
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1	REAL300000382796	1	37	-2.0	-130.84	328.60	7.18	-123.66
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000382798	0	37	-2.0	-131.08	327.73	7.73	-123.35
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000382799	1	34	-2.0	-125.52	323.92	7.03	-118.49
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300000382800	1	39	-2.0	-127.49	348.45	6.92	-120.57
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C	REAL300000382801	1	40	-2.0	-131.09	344.09	7.94	-123.15
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000382803	1	34	-2.0	-118.07	329.78	7.08	-110.99
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300000382804	1	39	-2.0	-140.17	348.45	6.91	-133.26
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)C=C1	REAL300000382806	1	43	-2.0	-122.81	383.82	8.10	-114.71
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000382807	0	34	-2.0	-125.68	335.51	7.53	-118.15
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300000382808	1	40	-2.0	-125.25	362.70	7.26	-117.99
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000382812	0	40	-3.0	-207.59	363.79	6.87	-200.72
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000382812	1	41	-2.0	-143.64	361.57	6.35	-137.29
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000382813	0	41	-2.0	-114.96	365.64	8.31	-106.65
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000382813	1	40	-3.0	-181.75	367.11	8.37	-173.38
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000382814	0	31	-2.0	-120.62	316.18	6.13	-114.49
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC	REAL300000382816	0	38	-2.0	-137.28	335.45	6.29	-130.99
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000382817	0	40	-2.0	-144.95	350.07	7.54	-137.41
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(NC(C)=O)=CC=C1OC	REAL300000382818	0	45	-2.0	-135.65	391.79	5.19	-130.46
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000382819	0	34	-2.0	-120.95	325.24	6.70	-114.25
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000382820	1	34	-2.0	-119.51	340.65	7.54	-111.97
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000382821	0	34	-2.0	-129.90	320.32	7.07	-122.83
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1	REAL300000382822	1	34	-2.0	-125.50	328.48	7.14	-118.36
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000382823	1	36	-2.0	-125.40	335.41	7.18	-118.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300000382824	1	39	-2.0	-127.00	350.90	7.95	-119.05
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300000382825	1	36	-2.0	-118.52	347.86	7.56	-110.96
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000382826	0	31	-2.0	-127.26	299.12	5.51	-121.75
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000382828	0	36	-2.0	-140.55	325.74	7.90	-132.65
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000382829	0	36	-3.0	-195.64	348.73	7.63	-188.01
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000382829	1	37	-2.0	-134.90	346.24	7.20	-127.70
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000382830	0	37	-2.0	-140.70	346.68	7.41	-133.29
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000382830	1	36	-3.0	-193.57	348.16	7.46	-186.11
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000382833	0	34	-2.0	-123.85	319.09	6.64	-117.21
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000382834	1	34	-2.0	-125.69	313.60	6.58	-119.11
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000382835	1	34	-2.0	-118.70	320.01	6.65	-112.05
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000382837	1	40	-2.0	-129.12	351.67	5.67	-123.45
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300000382839	1	49	-2.0	-132.96	398.88	9.60	-123.36
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000382840	1	34	-2.0	-122.20	323.92	7.03	-115.17
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1	REAL300000382841	1	34	-2.0	-122.14	328.48	7.14	-115.00
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000382842	0	36	-2.0	-115.51	335.43	7.18	-108.33
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000382843	1	34	-2.0	-130.06	307.18	6.51	-123.55
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300000382844	1	41	-2.0	-135.36	363.28	5.40	-129.96
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)S1	REAL300000382845	0	34	-2.0	-128.38	321.02	6.31	-122.07
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000382846	0	43	-2.0	-149.12	365.14	7.99	-141.13
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000382846	1	42	-3.0	-204.23	368.32	8.42	-195.81
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300000382847	0	38	-2.0	-129.13	352.19	6.81	-122.32
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300000382848	1	37	-2.0	-126.30	343.97	7.90	-118.40
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300000382849	0	36	-2.0	-128.17	342.03	8.32	-119.85
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000382850	0	36	-3.0	-197.97	341.12	7.13	-190.84
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300000382851	0	31	-2.0	-119.52	330.03	6.67	-112.85
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300000382853	1	39	-2.0	-122.17	345.42	7.78	-114.39
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000382854	0	34	-2.0	-128.61	319.09	6.63	-121.98
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000382855	0	43	-2.0	-110.16	377.84	8.61	-101.55
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000382855	1	42	-3.0	-182.23	379.24	8.66	-173.57
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)C=C1	REAL300000382856	1	44	-2.0	-135.26	383.84	6.22	-129.04
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000382857	1	38	-2.0	-123.46	342.93	3.33	-120.13
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(SC)C=C1	REAL300000382858	1	38	-2.0	-126.88	347.40	7.54	-119.34
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000382859	1	39	-2.0	-125.05	349.21	4.96	-120.09
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000382860	1	42	-2.0	-126.46	367.01	5.69	-120.77
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)C=C1OCC	REAL300000382861	1	48	-2.0	-127.29	409.62	7.56	-119.73
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000382863	0	33	-3.0	-190.30	328.84	6.09	-184.21
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000382864	1	37	-2.0	-122.81	338.93	4.02	-118.79
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000382866	0	40	-2.0	-143.15	343.80	7.68	-135.47
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000382866	1	39	-3.0	-201.85	351.09	7.85	-194.00
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300000382867	0	40	-2.0	-125.78	343.89	5.54	-120.24
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300000382868	1	42	-2.0	-132.60	383.80	2.68	-129.92
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300000382869	1	42	-2.0	-126.93	368.18	8.53	-118.40
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OC)C=C1	REAL300000382870	1	40	-2.0	-123.17	361.98	7.18	-115.99
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC)C=C1	REAL300000382871	1	41	-2.0	-127.57	363.62	4.79	-122.78
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300000382872	1	39	-2.0	-128.13	361.45	1.47	-126.66
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300000382873	1	45	-2.0	-136.07	384.99	7.63	-128.44
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000382874	1	38	-2.0	-127.58	341.72	3.29	-124.29
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CCN2C(C)=O	REAL300000382875	1	45	-2.0	-137.52	387.78	7.64	-129.88
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000382877	1	40	-2.0	-132.67	353.13	8.79	-123.88
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C(=O)OC)SC=C1	REAL300000382878	0	37	-2.0	-138.55	346.78	6.81	-131.74
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCOC)C=C1	REAL300000382879	1	44	-2.0	-128.11	383.77	7.03	-121.08
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000382880	0	41	-2.0	-109.95	365.26	7.30	-102.65
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300000382882	1	45	-2.0	-130.77	391.41	10.63	-120.14
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000382885	0	34	-2.0	-133.93	312.69	6.56	-127.37
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)C2	REAL300000382886	0	39	-2.0	-124.21	362.31	5.51	-118.70
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000382887	1	39	-2.0	-123.95	349.58	7.02	-116.93
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300000382888	0	42	-2.0	-146.14	368.55	7.78	-138.36
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1Cl	REAL300000382890	0	37	-2.0	-129.62	341.73	7.73	-121.89
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300000382891	0	38	-2.0	-131.27	351.95	6.78	-124.49
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300000382893	1	39	-2.0	-131.58	361.43	1.47	-130.11
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300000382894	1	42	-2.0	-125.34	370.02	6.94	-118.40
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300000382895	0	40	-2.0	-133.47	354.76	7.10	-126.37
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300000382896	1	40	-2.0	-123.24	363.74	3.51	-119.73
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300000382897	1	41	-2.0	-121.57	373.04	5.77	-115.80
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000382898	1	39	-2.0	-121.09	354.87	8.01	-113.08
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300000382899	1	40	-2.0	-124.23	361.31	6.47	-117.76
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300000382900	1	38	-2.0	-122.93	353.18	6.31	-116.62
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300000382901	1	40	-2.0	-132.12	367.89	4.04	-128.08
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300000382903	1	42	-2.0	-127.51	383.82	2.68	-124.83
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000382904	0	34	-2.0	-120.52	326.71	7.14	-113.38
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300000382905	0	46	-2.0	-135.01	393.12	5.84	-129.17
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C=C1F	REAL300000382906	0	41	-2.0	-138.09	368.75	5.47	-132.62
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300000382907	1	40	-2.0	-135.26	367.89	4.04	-131.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300000382908	1	43	-2.0	-129.36	381.39	9.21	-120.15
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C=C1F	REAL300000382910	0	42	-2.0	-129.05	371.40	5.78	-123.27
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000382912	0	38	-2.0	-104.50	342.49	6.42	-98.08
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000382912	1	37	-3.0	-195.16	342.30	6.43	-188.73
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000382913	0	34	-2.0	-135.02	324.66	6.08	-128.94
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1Br	REAL300000382914	1	37	-2.0	-128.47	345.09	7.87	-120.60
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000382915	0	39	-2.0	-125.72	349.14	2.67	-123.05
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000382916	0	41	-2.0	-144.56	352.67	5.73	-138.83
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl	REAL300000382917	0	40	-2.0	-131.88	375.06	7.73	-124.15
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300000382919	1	38	-2.0	-124.68	352.71	6.37	-118.31
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300000382920	1	38	-2.0	-124.44	342.90	5.89	-118.55
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1	REAL300000382923	1	41	-2.0	-122.89	357.78	3.96	-118.93
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(N)=O)=C1	REAL300000382924	1	42	-2.0	-123.91	369.00	3.89	-120.02
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000382925	0	34	-2.0	-124.30	311.74	4.21	-120.09
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300000382926	1	39	-2.0	-115.81	350.90	7.95	-107.86
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300000382928	0	42	-2.0	-126.31	371.07	4.16	-122.15
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300000382929	1	37	-2.0	-126.40	339.40	7.80	-118.60
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300000382931	0	44	-2.0	-125.22	389.16	8.30	-116.92
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300000382933	1	45	-2.0	-127.72	382.68	6.64	-121.08
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C3=C2C1=CC=C3	REAL300000382935	1	42	-2.0	-127.34	370.74	6.36	-120.98
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000382936	0	36	-3.0	-185.40	344.77	6.76	-178.64
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000382937	1	35	-2.0	-116.90	343.40	7.32	-109.58
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000382938	1	35	-2.0	-117.53	343.43	7.32	-110.21
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000382939	0	43	-2.0	-143.90	360.16	8.24	-135.66
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000382940	1	38	-2.0	-133.57	345.55	6.88	-126.69
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C2=NC=CC=C12	REAL300000382941	1	43	-2.0	-130.75	372.50	6.29	-124.46
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300000382942	1	37	-2.0	-126.29	342.65	7.63	-118.66
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000382943	0	34	-2.0	-129.29	328.85	7.07	-122.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300000382945	0	40	-2.0	-122.02	363.67	6.96	-115.06
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300000382946	1	44	-2.0	-135.26	376.56	8.17	-127.09
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300000382947	1	37	-2.0	-126.01	333.91	7.22	-118.79
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300000382948	1	37	-2.0	-122.46	339.40	7.79	-114.67
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000382949	0	37	-2.0	-134.34	334.09	7.23	-127.11
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C	REAL300000382950	1	37	-2.0	-126.71	329.08	7.34	-119.37
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300000382952	0	39	-2.0	-140.68	340.82	8.76	-131.92
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300000382953	0	42	-2.0	-128.89	372.50	5.76	-123.13
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300000382954	1	44	-2.0	-139.21	379.34	6.37	-132.84
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300000382956	0	42	-2.0	-146.53	368.47	7.79	-138.74
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000382959	0	33	-3.0	-192.57	327.31	6.10	-186.47
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000382959	1	34	-2.0	-135.95	327.17	6.11	-129.84
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl	REAL300000382960	0	37	-2.0	-129.90	349.56	8.40	-121.50
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300000382961	1	43	-2.0	-136.37	383.38	4.80	-131.57
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300000382962	0	36	-2.0	-114.67	348.54	7.75	-106.92
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000382963	0	41	-2.0	-108.19	361.41	7.08	-101.11
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300000382964	1	42	-2.0	-129.38	357.29	7.89	-121.49
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300000382965	0	31	-2.0	-128.27	319.50	6.07	-122.20
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCNC(C)=O)C=C1	REAL300000382967	1	47	-2.0	-138.69	410.90	6.30	-132.39
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000382968	0	36	-2.0	-131.61	331.56	7.86	-123.75
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000382969	0	46	-2.0	-146.10	386.78	8.65	-137.45
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000382969	1	45	-3.0	-205.51	387.71	9.02	-196.49
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300000382970	1	44	-2.0	-129.71	381.38	9.93	-119.78
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000382971	0	36	-2.0	-134.65	337.45	7.77	-126.88
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000382972	1	45	-2.0	-139.23	397.94	6.18	-133.05
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300000382975	1	45	-2.0	-139.98	395.25	6.49	-133.49
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1O	REAL300000382976	0	38	-2.0	-131.58	338.30	4.87	-126.71
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C)=CC=C1[O-]	REAL300000382976	1	38	-2.0	-110.82	331.94	5.17	-105.65
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000382977	0	43	-2.0	-146.26	362.77	8.16	-138.10
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000382977	1	42	-3.0	-200.23	356.05	8.48	-191.75
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000382978	0	37	-2.0	-130.64	346.72	7.42	-123.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000382979	0	43	-3.0	-207.43	386.08	7.64	-199.79
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000382979	1	44	-2.0	-148.73	377.62	7.61	-141.12
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000382980	0	39	-3.0	-200.83	362.58	7.57	-193.26
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000382980	1	38	-4.0	-282.56	364.06	7.64	-274.92
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OC)S1	REAL300000382981	0	37	-2.0	-120.82	355.08	6.27	-114.55
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000382982	0	44	-2.0	-150.26	377.29	8.52	-141.74
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000382982	1	43	-3.0	-207.33	379.89	8.97	-198.36
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300000382983	0	42	-2.0	-138.39	364.36	9.02	-129.37
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000382984	1	38	-2.0	-119.09	345.01	6.87	-112.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000382985	0	34	-2.0	-126.14	322.11	6.85	-119.29
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCNC(C)=O)S1	REAL300000382986	0	44	-2.0	-137.14	403.01	5.45	-131.69
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)NC(C)=O)S1	REAL300000382987	0	44	-2.0	-126.51	400.70	5.49	-121.02
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000382988	0	36	-3.0	-190.01	338.67	6.21	-183.80
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000382988	1	37	-2.0	-140.50	336.69	5.76	-134.74
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000382989	0	37	-2.0	-151.07	335.39	5.71	-145.36
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=CC=C1F	REAL300000382990	0	40	-2.0	-135.17	367.45	7.22	-127.95
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1CC	REAL300000382991	0	44	-2.0	-139.38	378.71	7.88	-131.50
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000382992	1	37	-2.0	-117.32	351.51	7.57	-109.75
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300000382994	0	36	-2.0	-139.48	340.91	8.67	-130.81
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000382995	1	39	-2.0	-139.47	355.52	6.68	-132.79
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)C2=CC=CC=C12	REAL300000382996	1	47	-2.0	-134.70	398.42	9.10	-125.60
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(Br)=C1	REAL300000382997	0	33	-2.0	-118.44	323.51	5.31	-113.13
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000383000	0	36	-2.0	-144.57	333.21	8.14	-136.43
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000383001	0	40	-3.0	-197.01	364.57	6.17	-190.84
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000383001	1	41	-2.0	-111.71	361.78	5.69	-106.02
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000383002	0	41	-2.0	-125.62	367.77	7.62	-118.00
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300000383003	0	44	-2.0	-125.44	393.17	8.07	-117.37
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000383004	0	33	-2.0	-118.22	308.59	4.79	-113.43
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300000383005	1	40	-2.0	-125.45	361.61	8.04	-117.41
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300000383006	1	44	-2.0	-124.90	387.43	7.43	-117.47
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=CS1	REAL300000383007	0	37	-2.0	-126.84	355.24	6.17	-120.67
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC	REAL300000383008	1	42	-2.0	-125.64	355.99	8.59	-117.05
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300000383009	1	39	-2.0	-130.34	343.36	6.94	-123.40
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000383010	0	33	-2.0	-117.74	332.34	5.65	-112.09
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000383011	0	44	-2.0	-109.07	385.32	8.01	-101.06
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000383012	0	34	-2.0	-135.58	311.37	5.59	-129.99
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300000383014	1	42	-2.0	-121.35	373.51	6.24	-115.11
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300000383015	0	38	-2.0	-116.06	346.94	3.49	-112.57
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000383016	0	34	-2.0	-115.85	323.13	5.03	-110.82
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000383018	0	34	-2.0	-130.08	318.97	6.63	-123.45
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300000383019	0	38	-2.0	-132.33	345.19	6.08	-126.25
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300000383020	0	36	-2.0	-131.53	341.92	8.31	-123.22
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000383021	0	40	-2.0	-132.96	348.95	7.73	-125.23
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000383021	1	39	-3.0	-189.96	356.37	7.89	-182.07
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000383022	0	40	-2.0	-135.41	350.32	6.15	-129.26
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C)=N1	REAL300000383023	0	37	-2.0	-137.11	331.75	5.42	-131.69
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000383024	0	41	-2.0	-115.55	371.55	7.37	-108.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000383024	1	40	-3.0	-178.62	372.95	7.42	-171.20
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000383025	0	38	-2.0	-131.59	345.21	6.55	-125.04
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383026	1	43	-2.0	-132.27	383.84	8.09	-124.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC)N=C1	REAL300000383027	0	37	-2.0	-124.60	333.27	5.07	-119.53
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)C=C1	REAL300000383028	1	46	-2.0	-122.37	405.32	8.89	-113.48
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(COC)=C1	REAL300000383029	1	41	-2.0	-132.30	362.26	6.23	-126.07
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300000383030	0	37	-2.0	-127.56	351.41	7.57	-119.99
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300000383031	0	34	-2.0	-125.78	339.26	6.61	-119.17
CCOC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2CC)C=C1C(=O)[O-]	REAL300000383032	0	44	-2.0	-108.65	383.35	7.99	-100.66
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000383033	1	39	-2.0	-127.55	343.18	5.80	-121.75
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=CC=C1F	REAL300000383034	1	43	-2.0	-119.93	388.38	8.12	-111.81
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000383035	0	34	-2.0	-125.01	326.73	7.13	-117.88
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300000383036	1	43	-2.0	-131.58	383.58	5.57	-126.01
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000383039	1	38	-2.0	-120.95	351.49	3.36	-117.59
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C	REAL300000383040	0	34	-2.0	-121.92	307.60	3.56	-118.36
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC)=C1	REAL300000383041	1	38	-2.0	-131.53	336.69	5.81	-125.72
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C	REAL300000383042	1	37	-2.0	-130.12	322.68	7.28	-122.84
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N=C(NC(C)=O)S1	REAL300000383043	0	40	-2.0	-130.50	368.54	4.75	-125.75
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N=C([N-]C(C)=O)S1	REAL300000383043	1	39	-3.0	-190.67	364.55	3.64	-187.03
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000383044	0	34	-2.0	-134.23	312.03	4.05	-130.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000383045	0	34	-2.0	-118.58	307.43	4.14	-114.44
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1F	REAL300000383051	0	40	-2.0	-120.55	371.96	7.26	-113.29
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1F	REAL300000383052	0	37	-2.0	-133.36	334.10	7.24	-126.12
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1	REAL300000383054	0	37	-2.0	-120.71	346.74	5.30	-115.41
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000383055	0	39	-2.0	-146.07	347.12	7.14	-138.93
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300000383056	0	40	-2.0	-132.43	374.04	7.15	-125.28
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000383057	0	34	-2.0	-119.05	325.37	6.69	-112.36
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000383058	0	37	-2.0	-143.80	342.71	6.53	-137.27
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000383058	1	36	-3.0	-195.88	345.35	6.97	-188.91
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)OC)=C1C	REAL300000383059	1	43	-2.0	-130.40	371.52	7.83	-122.57
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=CC=C1Cl	REAL300000383060	0	38	-2.0	-130.90	349.81	6.36	-124.54
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300000383061	0	36	-2.0	-118.63	337.84	5.73	-112.90
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)OC)C=C1	REAL300000383063	1	43	-2.0	-135.87	384.16	7.96	-127.91
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300000383065	1	45	-2.0	-152.37	386.01	7.54	-144.83
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300000383066	0	46	-2.0	-126.21	385.30	7.16	-119.05
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CS1	REAL300000383067	0	34	-2.0	-128.44	315.41	6.33	-122.11
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1	REAL300000383068	1	40	-2.0	-125.29	378.71	7.68	-117.61
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(CC)N=C1C	REAL300000383069	0	43	-2.0	-126.16	365.70	6.41	-119.75
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OC)C(C)=C1	REAL300000383070	1	43	-2.0	-123.72	377.99	7.70	-116.02
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300000383071	0	39	-2.0	-116.25	351.41	7.70	-108.55
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000383074	1	42	-2.0	-141.81	366.78	4.97	-136.84
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300000383075	1	43	-2.0	-144.20	392.24	4.71	-139.49
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300000383076	1	38	-2.0	-126.15	343.42	7.68	-118.47
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1	REAL300000383077	1	41	-2.0	-135.73	368.38	5.52	-130.21
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1F	REAL300000383078	0	39	-2.0	-127.64	359.57	7.87	-119.77
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300000383079	1	42	-2.0	-124.28	380.96	7.63	-116.65
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300000383080	1	44	-2.0	-147.44	381.78	6.31	-141.13
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC	REAL300000383081	0	38	-2.0	-130.71	344.83	6.98	-123.73
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1C	REAL300000383082	1	38	-2.0	-120.86	343.44	7.68	-113.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300000383084	1	43	-2.0	-135.24	375.86	6.58	-128.66
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)OC)=C1	REAL300000383085	1	44	-2.0	-126.25	389.27	7.22	-119.03
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000383086	0	35	-2.0	-123.26	333.48	6.97	-116.29
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300000383087	1	39	-2.0	-125.70	350.84	4.17	-121.53
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000383088	0	40	-2.0	-124.65	351.95	5.59	-119.06
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000383089	1	39	-2.0	-129.26	348.16	6.90	-122.36
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(=O)OC)N=C1	REAL300000383090	0	40	-2.0	-129.50	366.54	5.27	-124.23
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000383091	0	40	-2.0	-133.74	351.16	4.94	-128.80
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1[N+](=O)[O-]	REAL300000383092	0	37	-2.0	-127.04	346.02	8.19	-118.85
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300000383094	0	43	-2.0	-130.29	381.74	7.75	-122.54
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300000383096	0	38	-2.0	-124.02	363.97	7.79	-116.23
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000383097	1	34	-2.0	-111.63	326.18	6.70	-104.93
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300000383098	1	45	-2.0	-125.86	389.81	8.35	-117.51
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)OC)=C1	REAL300000383100	0	41	-2.0	-131.00	368.36	6.61	-124.39
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000383102	0	36	-3.0	-179.10	348.70	7.63	-171.47
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000383102	1	37	-2.0	-116.34	346.19	7.20	-109.14
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000383103	0	37	-2.0	-116.83	338.72	7.06	-109.77
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000383103	1	36	-3.0	-180.09	340.17	7.11	-172.98
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300000383104	1	42	-2.0	-137.51	373.67	5.91	-131.60
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300000383105	0	41	-2.0	-128.48	372.15	7.78	-120.70
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300000383106	1	44	-2.0	-137.61	374.58	6.73	-130.88
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300000383108	0	37	-2.0	-121.16	352.01	4.58	-116.58
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000383109	0	33	-3.0	-183.79	327.92	6.20	-177.59
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000383110	0	43	-2.0	-136.38	371.90	7.75	-128.63
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000383111	0	37	-2.0	-133.30	340.65	7.08	-126.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000383111	1	36	-3.0	-187.75	342.07	7.14	-180.61
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000383112	0	39	-3.0	-199.75	361.39	7.77	-191.98
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000383113	1	48	-2.0	-125.25	400.00	8.57	-116.68
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(=O)OC)=C1	REAL300000383114	0	38	-2.0	-128.11	350.59	4.85	-123.26
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000383115	0	36	-3.0	-181.42	341.11	7.14	-174.28
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000383115	1	37	-2.0	-118.64	334.89	6.52	-112.12
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000383116	0	37	-2.0	-112.15	346.68	7.41	-104.74
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000383116	1	36	-3.0	-178.82	348.14	7.47	-171.35
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000383117	1	37	-2.0	-124.84	327.57	7.32	-117.52
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300000383118	1	37	-2.0	-126.45	346.69	7.71	-118.74
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1	REAL300000383119	1	43	-2.0	-125.91	378.01	7.70	-118.21
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(=O)OC)=C1	REAL300000383120	0	37	-2.0	-127.40	354.46	6.19	-121.21
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1	REAL300000383121	1	40	-2.0	-119.69	366.52	7.19	-112.50
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N=C(C)S1	REAL300000383122	0	36	-2.0	-123.94	331.46	5.11	-118.83
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000383123	1	38	-2.0	-135.90	349.45	7.69	-128.21
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C([O-])C(NC(C)=O)=C1	REAL300000383124	1	42	-2.0	-119.36	368.28	3.37	-115.99
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000383127	0	40	-2.0	-134.34	357.91	8.12	-126.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000383127	1	39	-3.0	-192.29	365.10	8.28	-184.01
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300000383128	1	40	-2.0	-125.87	361.41	8.28	-117.59
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383129	1	40	-2.0	-131.41	350.08	7.94	-123.47
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300000383130	0	37	-2.0	-125.31	362.83	8.44	-116.87
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300000383131	1	37	-2.0	-125.77	335.01	7.25	-118.52
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=C(C)O1	REAL300000383133	0	40	-2.0	-122.06	365.09	5.97	-116.09
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000383134	1	40	-2.0	-124.10	358.57	5.57	-118.53
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000383135	0	37	-2.0	-102.00	345.04	7.11	-94.89
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000383135	1	36	-3.0	-183.84	346.47	7.16	-176.68
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000383136	0	39	-2.0	-102.12	362.43	7.69	-94.43
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000383136	1	38	-3.0	-180.99	363.84	7.74	-173.25
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300000383137	0	37	-2.0	-129.76	360.59	8.38	-121.38
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC	REAL300000383138	0	44	-2.0	-140.51	390.12	6.97	-133.54
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C	REAL300000383139	1	46	-2.0	-134.66	393.96	8.49	-126.17
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300000383141	0	37	-2.0	-124.15	339.38	7.26	-116.89
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300000383142	0	40	-2.0	-137.43	358.97	9.57	-127.86
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000383143	1	40	-2.0	-138.56	348.24	8.82	-129.74
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000383144	0	36	-2.0	-125.16	339.19	5.99	-119.17
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl	REAL300000383145	0	39	-2.0	-124.67	367.21	8.36	-116.31
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300000383146	1	38	-2.0	-116.21	363.83	7.70	-108.51
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1	REAL300000383147	0	41	-2.0	-131.81	385.05	5.59	-126.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300000383148	1	37	-2.0	-125.01	340.35	7.81	-117.20
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000383149	0	37	-3.0	-201.24	345.37	4.77	-196.47
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000383149	1	37	-3.0	-201.36	341.02	5.67	-195.69
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000383150	1	44	-2.0	-134.54	362.50	9.14	-125.40
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000383151	0	40	-2.0	-113.32	356.44	7.80	-105.52
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000383151	1	39	-3.0	-189.28	357.84	7.86	-181.42
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C(Cl)=C1	REAL300000383152	1	41	-2.0	-129.19	377.34	6.04	-123.15
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)O1	REAL300000383153	0	40	-2.0	-120.86	368.60	6.23	-114.63
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000383154	0	36	-2.0	-116.46	341.83	7.24	-109.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl	REAL300000383155	0	39	-2.0	-139.37	360.74	7.47	-131.90
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300000383156	1	46	-2.0	-127.44	397.91	8.04	-119.40
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C	REAL300000383157	1	39	-2.0	-120.24	362.93	8.33	-111.91
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300000383158	0	37	-2.0	-133.07	349.96	7.20	-125.87
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(OC)C=CS1	REAL300000383159	0	35	-2.0	-139.51	329.36	4.79	-134.72
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300000383160	1	43	-2.0	-134.51	389.36	4.93	-129.58
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300000383161	0	40	-2.0	-126.35	363.97	7.62	-118.73
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000383162	0	37	-2.0	-129.90	336.96	6.90	-123.00
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300000383163	0	42	-2.0	-147.98	368.70	7.75	-140.23
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300000383164	1	45	-2.0	-123.96	390.49	6.01	-117.95
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300000383165	1	40	-2.0	-129.07	362.61	9.25	-119.82
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1	REAL300000383166	1	40	-2.0	-113.88	372.80	7.25	-106.63
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1	REAL300000383167	0	40	-2.0	-131.51	364.69	8.72	-122.79
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1F	REAL300000383168	0	39	-2.0	-127.27	361.20	7.89	-119.38
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSN=C1C(=O)OC	REAL300000383169	0	36	-2.0	-131.54	340.44	5.25	-126.29
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1	REAL300000383171	0	39	-2.0	-114.98	368.18	6.47	-108.51
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300000383172	1	36	-2.0	-119.93	355.46	6.42	-113.51
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000383173	0	34	-2.0	-115.91	323.24	5.41	-110.50
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000383174	0	34	-2.0	-130.52	327.37	5.34	-125.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300000383175	1	42	-2.0	-132.17	366.17	5.12	-127.05
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000383176	0	35	-2.0	-131.69	323.04	5.25	-126.44
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000383177	0	35	-2.0	-118.43	329.40	4.35	-114.08
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C)S1	REAL300000383178	0	33	-2.0	-123.82	315.71	4.34	-119.48
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)OC)=C1	REAL300000383179	1	40	-2.0	-120.06	374.50	7.55	-112.51
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C	REAL300000383180	1	39	-2.0	-118.98	354.99	7.99	-110.99
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000383181	0	40	-2.0	-103.09	338.85	7.57	-95.52
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000383181	1	39	-3.0	-192.48	345.68	7.71	-184.77
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000383183	1	41	-2.0	-148.02	371.80	4.37	-143.65
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000383184	0	40	-2.0	-145.07	359.06	7.67	-137.40
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000383185	0	40	-2.0	-114.69	343.86	7.68	-107.01
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300000383186	0	35	-2.0	-125.51	336.49	7.19	-118.32
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C(C)N1	REAL300000383187	0	47	-2.0	-127.01	403.21	7.19	-119.82
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300000383188	0	37	-2.0	-128.38	339.37	7.28	-121.10
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300000383189	0	40	-2.0	-115.70	362.71	7.26	-108.44
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000383190	0	43	-2.0	-104.27	367.11	8.09	-96.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300000383191	1	40	-2.0	-138.86	364.94	9.33	-129.53
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000383192	0	38	-3.0	-192.88	362.21	8.16	-184.72
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000383192	1	39	-2.0	-148.66	360.86	8.11	-140.55
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000383193	0	37	-2.0	-125.25	352.52	8.00	-117.25
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000383195	0	36	-3.0	-187.43	347.38	7.20	-180.23
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1	REAL300000383196	1	39	-2.0	-116.90	360.23	7.84	-109.06
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000383197	0	33	-2.0	-123.97	326.15	5.96	-118.01
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000383198	0	40	-2.0	-135.89	352.63	6.89	-129.00
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OC)N=C1	REAL300000383199	0	39	-2.0	-118.06	357.93	5.35	-112.71
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000383200	0	33	-2.0	-116.09	332.62	5.69	-110.40
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000383201	0	43	-2.0	-106.93	362.94	8.32	-98.61
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000383202	0	39	-3.0	-200.74	360.97	7.77	-192.97
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000383202	1	40	-2.0	-105.72	354.81	7.17	-98.55
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000383203	0	39	-3.0	-197.78	367.43	8.21	-189.57
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000383203	1	40	-2.0	-136.63	364.91	7.76	-128.87
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000383204	0	39	-3.0	-201.95	360.69	7.76	-194.19
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300000383205	0	34	-2.0	-114.98	334.43	6.99	-107.99
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383206	1	42	-2.0	-140.35	370.29	7.78	-132.57
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CCOC)N=C1	REAL300000383207	0	41	-2.0	-122.61	366.94	4.12	-118.49
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300000383208	0	39	-2.0	-130.02	357.50	7.34	-122.68
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Br	REAL300000383209	0	37	-2.0	-129.84	341.88	7.77	-122.07
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000383210	0	43	-2.0	-145.64	368.43	8.20	-137.44
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000383211	0	45	-2.0	-125.17	384.36	5.06	-120.11
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300000383214	0	38	-2.0	-136.74	344.43	7.29	-129.45
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1C	REAL300000383215	0	40	-2.0	-128.15	352.71	6.58	-121.57
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000383216	0	43	-2.0	-128.99	380.18	8.16	-120.83
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383217	0	40	-2.0	-135.24	354.68	7.25	-127.99
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000383218	0	42	-2.0	-122.99	365.23	4.26	-118.73
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1F	REAL300000383220	0	37	-2.0	-135.01	333.01	7.22	-127.79
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)C=N1	REAL300000383221	1	40	-2.0	-120.67	356.23	4.13	-116.54
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000383222	0	41	-2.0	-137.91	353.14	6.53	-131.38
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000383223	0	44	-2.0	-136.78	384.66	7.15	-129.63
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(COC)C=C1	REAL300000383224	1	41	-2.0	-129.59	362.28	6.24	-123.35
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=CC=C1O	REAL300000383225	0	39	-2.0	-134.41	346.46	3.49	-130.92
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300000383226	0	37	-2.0	-130.91	339.06	7.64	-123.27
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C)=C1	REAL300000383228	0	37	-2.0	-127.16	330.17	6.09	-121.07
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300000383229	0	40	-2.0	-132.49	353.45	4.18	-128.31
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383231	1	43	-2.0	-124.35	390.25	8.16	-116.19
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1COC	REAL300000383232	1	41	-2.0	-128.23	353.22	6.52	-121.71
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)C=C(C(=O)OC)O1	REAL300000383233	0	43	-2.0	-123.01	379.69	6.79	-116.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)O1	REAL300000383235	0	34	-2.0	-127.51	311.78	5.33	-122.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)S1	REAL300000383236	0	37	-2.0	-129.57	340.84	6.93	-122.64
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000383237	1	37	-2.0	-124.77	333.23	5.17	-119.60
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300000383238	0	42	-2.0	-146.49	360.82	8.27	-138.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000383239	0	40	-2.0	-140.73	355.79	8.48	-132.25
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000383240	0	36	-2.0	-113.02	339.92	7.21	-105.81
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000383241	0	40	-2.0	-107.33	358.25	7.82	-99.51
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000383241	1	39	-3.0	-185.19	361.91	8.25	-176.94
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000383242	1	34	-2.0	-119.11	330.33	7.10	-112.01
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)OC)=C1	REAL300000383243	0	40	-2.0	-122.98	365.03	6.07	-116.91
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000383244	0	33	-2.0	-118.51	318.94	5.21	-113.30
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000383245	0	40	-2.0	-142.05	365.46	7.98	-134.07
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000383245	1	39	-3.0	-195.65	366.87	8.03	-187.62
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC)C(C)=N1	REAL300000383246	0	40	-2.0	-137.21	352.91	6.30	-130.91
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1Br	REAL300000383247	0	37	-2.0	-129.27	345.10	7.88	-121.39
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300000383248	0	37	-2.0	-130.43	341.74	7.73	-122.70
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000383249	0	41	-2.0	-136.23	363.87	7.30	-128.93
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000383249	1	40	-3.0	-196.87	363.60	7.27	-189.60
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300000383250	0	37	-2.0	-125.38	347.08	5.26	-120.12
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1CC	REAL300000383251	0	46	-2.0	-127.24	386.67	7.07	-120.17
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=CN1C	REAL300000383252	0	44	-2.0	-130.53	390.22	7.54	-122.99
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300000383253	1	42	-2.0	-121.74	366.87	8.44	-113.30
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000383254	0	34	-2.0	-133.46	323.24	7.30	-126.16
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1Cl	REAL300000383255	0	36	-2.0	-125.86	337.09	5.82	-120.04
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300000383256	0	39	-2.0	-127.15	356.24	6.70	-120.45
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300000383257	1	38	-2.0	-124.66	362.39	7.99	-116.67
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)S1	REAL300000383258	0	36	-2.0	-123.57	337.21	5.08	-118.49
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3CC)C=C12	REAL300000383259	0	41	-2.0	-115.53	368.43	4.23	-111.30
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300000383260	0	36	-2.0	-121.93	345.32	6.84	-115.09
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(OC)=C1	REAL300000383262	0	37	-2.0	-116.14	348.04	4.47	-111.67
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC	REAL300000383263	1	43	-2.0	-124.18	383.12	7.47	-116.71
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000383264	0	36	-2.0	-115.95	341.90	5.75	-110.20
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1	REAL300000383265	1	40	-2.0	-124.86	368.38	7.23	-117.63
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(=O)(=O)F)C=C1	REAL300000383266	0	37	-2.0	-126.53	353.81	3.61	-122.92
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300000383267	0	49	-2.0	-126.65	405.53	7.96	-118.69
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000383269	0	35	-2.0	-119.95	341.07	7.47	-112.48
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000383270	0	37	-2.0	-138.51	335.12	6.82	-131.69
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C(=O)OC)=C1	REAL300000383271	0	39	-2.0	-123.79	357.14	5.37	-118.42
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000383272	0	31	-2.0	-120.97	311.58	5.24	-115.73
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300000383273	0	43	-2.0	-138.50	383.24	5.48	-133.02
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300000383274	1	42	-2.0	-128.22	366.89	8.46	-119.76
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300000383275	0	34	-2.0	-125.23	328.27	6.92	-118.31
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383279	1	46	-2.0	-133.77	399.27	8.87	-124.90
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300000383280	0	34	-2.0	-118.41	342.36	7.62	-110.79
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300000383281	0	34	-2.0	-121.29	336.19	6.73	-114.56
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC	REAL300000383282	0	44	-2.0	-129.51	390.18	6.96	-122.55
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000383283	1	37	-2.0	-135.56	341.36	7.44	-128.12
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300000383284	0	37	-2.0	-122.60	351.43	7.57	-115.03
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300000383285	1	37	-2.0	-125.87	349.90	7.79	-118.08
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000383286	0	37	-2.0	-123.19	345.11	5.40	-117.79
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1SC	REAL300000383287	1	38	-2.0	-136.08	343.28	7.56	-128.52
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)F)=C1	REAL300000383288	1	37	-2.0	-128.95	352.55	3.74	-125.21
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300000383290	0	42	-2.0	-120.89	376.63	7.80	-113.09
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C(=O)OC)SC=C1C	REAL300000383291	0	40	-2.0	-138.38	362.41	7.68	-130.70
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300000383292	1	38	-2.0	-120.47	342.91	5.89	-114.58
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000383293	0	33	-2.0	-133.38	319.89	6.91	-126.47
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000383294	0	33	-2.0	-111.93	301.68	2.92	-109.01
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000383295	1	39	-2.0	-121.47	351.54	5.64	-115.83
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000383296	0	33	-2.0	-117.84	328.36	6.27	-111.57
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(=O)OC)C=C1	REAL300000383298	1	42	-2.0	-130.41	374.37	4.73	-125.68
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1	REAL300000383299	1	40	-2.0	-114.37	370.72	7.34	-107.03
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000383300	0	38	-2.0	-130.83	335.32	5.94	-124.89
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000383301	0	35	-2.0	-124.66	341.13	7.46	-117.20
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000383302	0	37	-2.0	-124.25	351.15	5.57	-118.68
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CC	REAL300000383303	1	40	-2.0	-128.51	327.78	7.91	-120.60
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300000383305	1	37	-2.0	-122.46	343.97	7.89	-114.57
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000383306	0	38	-2.0	-141.47	345.57	6.58	-134.89
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(CC2CC2)N=C1C	REAL300000383307	0	47	-2.0	-126.48	397.38	7.97	-118.51
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C(C)C=CN=C12	REAL300000383308	0	42	-2.0	-145.87	365.07	7.69	-138.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000383310	1	38	-2.0	-132.06	358.44	3.80	-128.26
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000383311	0	35	-2.0	-134.82	331.96	4.81	-130.01
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(OC)=C1	REAL300000383312	0	37	-2.0	-124.56	331.76	3.98	-120.58
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1	REAL300000383313	0	44	-2.0	-123.61	389.26	7.22	-116.39
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300000383315	1	40	-2.0	-125.45	348.69	5.95	-119.50
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300000383317	0	40	-2.0	-126.35	350.06	7.57	-118.78
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000383318	0	40	-2.0	-100.74	364.09	7.97	-92.77
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000383318	1	39	-3.0	-191.39	365.52	8.04	-183.35
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300000383319	1	44	-2.0	-128.78	376.45	6.21	-122.57
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300000383320	0	40	-2.0	-138.10	368.41	8.06	-130.04
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(NC(C)=O)S1	REAL300000383322	0	37	-2.0	-130.70	352.16	3.99	-126.71
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300000383322	1	36	-3.0	-190.56	348.84	2.86	-187.70
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1	REAL300000383323	1	41	-2.0	-128.51	368.36	5.54	-122.97
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300000383324	0	42	-2.0	-125.81	379.00	6.27	-119.54
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300000383325	1	38	-2.0	-123.31	352.66	6.16	-117.15
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000383326	1	37	-2.0	-116.54	351.51	7.57	-108.97
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300000383327	0	39	-2.0	-128.15	363.96	2.12	-126.03
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000383328	1	38	-2.0	-113.80	330.61	7.60	-106.20
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000383329	1	38	-2.0	-135.98	349.42	7.68	-128.30
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000383330	0	34	-2.0	-121.45	337.04	7.59	-113.86
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300000383332	0	35	-2.0	-115.77	314.72	3.88	-111.89
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300000383333	0	38	-2.0	-133.11	352.17	6.82	-126.29
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000383334	0	35	-2.0	-122.77	334.69	5.28	-117.49
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=CC=C1C	REAL300000383337	1	41	-2.0	-132.47	352.16	6.57	-125.90
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000383340	0	32	-2.0	-118.15	319.70	6.06	-112.09
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1	REAL300000383341	0	36	-2.0	-125.35	323.79	5.34	-120.01
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000383342	0	39	-2.0	-127.78	348.37	6.87	-120.91
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OC)C=C1F	REAL300000383343	0	40	-2.0	-125.75	367.43	7.24	-118.51
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300000383344	0	40	-2.0	-121.36	366.50	7.20	-114.16
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383345	0	42	-2.0	-139.84	383.34	8.35	-131.49
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300000383346	1	38	-2.0	-120.36	347.16	7.40	-112.96
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000383347	0	33	-2.0	-111.92	324.93	5.19	-106.73
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C=C1F	REAL300000383349	0	38	-2.0	-129.96	342.17	5.87	-124.09
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300000383350	1	40	-2.0	-129.98	368.20	8.30	-121.68
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000383352	1	37	-2.0	-126.85	341.38	7.45	-119.40
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000383353	1	44	-2.0	-134.63	381.39	9.93	-124.70
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=NN1C	REAL300000383355	0	37	-2.0	-119.43	324.07	4.97	-114.46
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383356	0	43	-2.0	-134.49	389.30	8.15	-126.34
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000383358	0	32	-2.0	-118.28	311.16	5.04	-113.24
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000383359	0	31	-2.0	-125.14	298.29	5.42	-119.72
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300000383360	0	45	-2.0	-139.26	390.51	6.03	-133.23
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000383361	0	40	-2.0	-109.74	350.73	7.60	-102.14
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)N=C1	REAL300000383362	1	37	-2.0	-120.75	334.37	3.19	-117.56
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000383363	0	34	-2.0	-128.42	329.41	7.09	-121.33
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1CC	REAL300000383365	1	45	-2.0	-132.43	385.32	7.64	-124.79
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383366	0	43	-2.0	-131.06	384.72	9.28	-121.78
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300000383367	0	43	-2.0	-130.56	380.55	8.99	-121.57
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000383368	0	37	-2.0	-130.76	343.75	7.87	-122.89
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383369	1	46	-2.0	-137.23	406.01	8.87	-128.36
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=CC=C1C	REAL300000383370	1	46	-2.0	-126.24	399.87	8.62	-117.62
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300000383371	0	45	-2.0	-142.72	384.92	7.73	-134.99
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300000383372	1	38	-2.0	-115.54	363.84	7.70	-107.84
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000383373	0	37	-2.0	-134.02	333.80	5.14	-128.88
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300000383374	1	40	-2.0	-120.54	361.74	8.29	-112.25
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383375	1	41	-2.0	-131.76	358.54	6.74	-125.02
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000383376	0	34	-2.0	-129.09	329.56	7.37	-121.72
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300000383378	1	43	-2.0	-132.23	374.48	9.45	-122.78
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000383379	0	31	-2.0	-129.55	315.17	5.96	-123.59
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CS1	REAL300000383380	0	34	-2.0	-127.34	320.76	6.17	-121.17
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1	REAL300000383381	1	47	-2.0	-134.46	403.65	6.87	-127.59
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000383382	0	31	-2.0	-120.92	305.47	3.32	-117.60
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300000383383	0	39	-2.0	-136.47	361.71	7.57	-128.90
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000383384	0	33	-2.0	-119.89	314.12	4.63	-115.26
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000383385	0	43	-2.0	-122.44	371.72	5.57	-116.87
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000383386	1	43	-2.0	-121.31	376.36	5.06	-116.25
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000383389	0	37	-2.0	-123.52	343.38	6.97	-116.55
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300000383390	0	37	-2.0	-130.44	358.49	8.57	-121.87
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=NS1	REAL300000383391	0	33	-2.0	-119.81	315.68	4.81	-115.00
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000383393	0	38	-2.0	-102.57	351.35	6.07	-96.50
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300000383393	1	38	-2.0	-125.73	355.62	5.20	-120.53
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300000383394	0	40	-2.0	-120.46	358.33	7.74	-112.72
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000383397	0	31	-2.0	-133.09	305.47	5.55	-127.54
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(C)=CC2=C1	REAL300000383398	1	43	-2.0	-123.93	378.25	6.25	-117.68
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300000383399	0	40	-2.0	-140.55	365.77	4.86	-135.69
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300000383400	0	37	-2.0	-124.55	345.80	5.36	-119.19
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000383401	1	43	-2.0	-128.34	372.03	8.11	-120.23
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000383402	1	35	-2.0	-116.87	333.90	6.95	-109.92
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F	REAL300000383405	0	39	-2.0	-118.33	356.90	7.75	-110.58
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000383406	0	40	-2.0	-147.81	352.17	7.46	-140.35
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300000383407	0	35	-2.0	-123.94	340.08	5.80	-118.14
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000383408	0	38	-3.0	-203.82	356.23	8.81	-195.01
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=C(C)C=C1F	REAL300000383411	0	43	-2.0	-127.91	383.45	7.77	-120.14
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000383412	0	34	-2.0	-118.63	339.77	6.70	-111.93
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000383413	0	39	-2.0	-134.07	344.19	3.42	-130.65
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)S1	REAL300000383414	0	37	-2.0	-129.30	336.81	7.12	-122.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C)C(C(=O)OC)=C1	REAL300000383415	0	42	-2.0	-119.03	373.43	5.85	-113.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000383416	0	35	-2.0	-115.44	330.57	5.37	-110.07
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000383417	0	36	-2.0	-117.37	334.75	5.90	-111.47
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300000383418	1	40	-2.0	-120.82	361.62	8.03	-112.79
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(CC(=O)OC)=C1	REAL300000383419	1	43	-2.0	-137.33	384.14	7.95	-129.38
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300000383420	1	36	-2.0	-117.16	346.94	6.38	-110.78
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1	REAL300000383424	0	37	-2.0	-126.73	327.85	4.74	-121.99
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)C=C1	REAL300000383425	1	38	-2.0	-129.88	338.27	7.60	-122.28
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1	REAL300000383426	1	47	-2.0	-140.05	401.15	7.37	-132.68
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C	REAL300000383427	0	37	-2.0	-125.04	330.57	4.86	-120.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300000383428	1	41	-2.0	-126.78	378.99	6.74	-120.04
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000383429	0	34	-2.0	-117.26	323.04	5.12	-112.14
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300000383431	1	39	-2.0	-125.32	353.61	3.70	-121.62
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000383433	0	34	-2.0	-121.30	322.83	4.04	-117.26
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000383434	0	40	-2.0	-118.43	353.50	6.43	-112.00
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300000383435	1	48	-2.0	-134.08	401.66	8.67	-125.41
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300000383437	1	36	-2.0	-125.09	355.36	6.43	-118.66
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300000383438	0	42	-2.0	-132.39	380.96	6.16	-126.23
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300000383439	0	42	-2.0	-115.86	378.34	5.08	-110.78
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300000383441	1	38	-2.0	-121.47	352.71	6.37	-115.10
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(N)=O)S1	REAL300000383442	0	38	-2.0	-139.10	358.78	3.15	-135.95
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000383443	0	36	-3.0	-200.95	339.32	7.11	-193.84
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000383444	0	31	-2.0	-131.28	307.65	4.45	-126.83
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000383445	0	36	-2.0	-139.90	338.39	5.93	-133.97
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000383446	1	39	-2.0	-131.92	342.99	6.36	-125.56
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000383448	0	40	-2.0	-137.34	357.70	8.82	-128.52
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300000383449	0	37	-2.0	-131.11	347.33	5.58	-125.53
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000383450	0	37	-2.0	-129.91	334.32	8.01	-121.90
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300000383451	0	38	-2.0	-126.60	351.60	6.63	-119.97
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000383452	0	39	-2.0	-140.02	343.51	6.32	-133.70
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)OC)C(F)=C1	REAL300000383453	1	43	-2.0	-131.83	389.61	8.00	-123.83
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300000383454	0	43	-2.0	-131.50	378.39	9.54	-121.96
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F	REAL300000383460	0	37	-2.0	-136.62	337.11	7.46	-129.16
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000383461	0	33	-2.0	-118.53	332.24	5.71	-112.82
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300000383462	0	34	-2.0	-121.38	330.75	4.66	-116.72
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000383463	1	39	-2.0	-127.00	351.04	4.97	-122.03
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000383465	0	40	-2.0	-101.23	355.40	7.59	-93.64
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000383465	1	39	-3.0	-189.20	356.82	7.64	-181.56
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300000383467	0	38	-2.0	-133.43	341.85	6.36	-127.07
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300000383468	1	37	-2.0	-117.12	346.77	5.61	-111.51
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1	REAL300000383469	1	42	-2.0	-126.43	369.59	8.34	-118.09
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300000383470	0	50	-2.0	-139.84	411.62	8.63	-131.21
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(OC)C(Cl)=C1	REAL300000383472	0	37	-2.0	-116.95	350.45	3.74	-113.21
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CON=C1C	REAL300000383473	0	33	-2.0	-116.30	305.95	4.42	-111.88
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000383474	1	38	-2.0	-122.54	357.26	4.67	-117.87
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300000383475	1	37	-2.0	-123.06	342.65	7.62	-115.44
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000383476	1	40	-2.0	-138.80	355.28	7.50	-131.30
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F	REAL300000383477	0	43	-2.0	-135.58	387.75	7.86	-127.72
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1	REAL300000383478	0	36	-2.0	-133.42	341.78	7.71	-125.71
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000383480	1	37	-2.0	-122.00	349.19	4.70	-117.30
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000383481	0	33	-2.0	-129.47	307.70	4.69	-124.78
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000383484	0	33	-2.0	-116.61	308.61	4.66	-111.95
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=NC(Cl)=CC=C2S1	REAL300000383486	0	36	-2.0	-125.78	357.78	6.49	-119.29
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000383487	0	32	-2.0	-130.87	317.65	5.90	-124.97
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000383490	1	34	-2.0	-118.62	329.78	7.08	-111.54
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000383491	0	43	-2.0	-134.13	368.89	6.85	-127.28
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300000383492	1	41	-2.0	-134.11	372.28	4.37	-129.74
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000383493	0	42	-2.0	-140.33	359.39	7.71	-132.62
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=COC(C(=O)N(C)C)=C1C	REAL300000383494	0	44	-2.0	-125.91	379.97	5.50	-120.41
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)C(F)=C1	REAL300000383495	0	43	-2.0	-125.25	389.30	8.17	-117.08
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300000383501	1	41	-2.0	-140.19	363.12	3.94	-136.25
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1	REAL300000383504	1	45	-2.0	-130.56	392.89	5.70	-124.86
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1C	REAL300000383505	0	39	-2.0	-114.15	362.93	8.34	-105.81
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C)N1C	REAL300000383508	0	37	-2.0	-124.61	326.55	5.49	-119.12
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300000383509	0	40	-2.0	-127.98	372.01	7.25	-120.73
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC(C)CC)=C1	REAL300000383510	1	47	-2.0	-132.26	397.22	8.17	-124.09
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300000383513	0	47	-2.0	-125.17	408.17	8.85	-116.32
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C=C1[N+](=O)[O-]	REAL300000383514	0	39	-2.0	-130.81	351.93	8.50	-122.31
CCC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=CN1CC1CC1	REAL300000383515	0	47	-2.0	-137.76	406.06	8.45	-129.31
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300000383516	0	40	-2.0	-121.54	364.64	5.88	-115.66
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1	REAL300000383517	1	45	-2.0	-134.76	390.62	6.99	-127.77
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000383518	0	37	-2.0	-124.56	346.94	6.02	-118.54
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300000383519	1	42	-2.0	-122.33	370.87	8.84	-113.49
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000383520	0	43	-2.0	-154.14	374.84	9.13	-145.01
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000383520	1	42	-3.0	-208.74	376.70	9.19	-199.55
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300000383521	0	37	-2.0	-111.49	347.79	5.18	-106.31
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000383522	0	33	-2.0	-120.95	324.57	5.11	-115.84
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300000383523	1	44	-2.0	-141.46	373.29	9.91	-131.55
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1F	REAL300000383525	0	37	-2.0	-129.96	339.32	7.28	-122.68
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000383527	0	36	-2.0	-145.45	335.55	5.41	-140.04
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)C(C)=N1	REAL300000383528	0	46	-2.0	-124.98	395.10	7.27	-117.71
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000383530	0	35	-3.0	-198.20	332.64	5.12	-193.08
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300000383531	0	38	-2.0	-128.62	332.50	6.44	-122.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000383533	1	46	-2.0	-125.63	385.41	8.77	-116.86
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000383534	1	35	-2.0	-118.24	334.43	6.97	-111.27
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300000383535	0	37	-2.0	-121.34	340.18	5.12	-116.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000383536	0	36	-2.0	-140.38	330.36	5.70	-134.68
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000383536	1	36	-2.0	-124.01	330.47	5.55	-118.46
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000383537	0	38	-2.0	-135.50	340.93	6.47	-129.03
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000383538	0	44	-2.0	-123.89	368.19	6.62	-117.27
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000383539	0	46	-2.0	-123.23	369.10	6.92	-116.31
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000383541	0	44	-2.0	-124.79	374.60	6.86	-117.93
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300000383542	0	37	-2.0	-116.99	341.51	5.40	-111.59
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1Br	REAL300000383543	0	34	-2.0	-123.39	332.38	4.71	-118.68
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000383547	0	35	-2.0	-104.15	319.03	5.14	-99.01
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000383547	1	35	-2.0	-128.70	323.38	4.26	-124.44
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1CC	REAL300000383549	0	40	-2.0	-125.02	345.56	5.54	-119.48
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1	REAL300000383550	1	39	-2.0	-126.77	352.20	6.98	-119.79
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000383551	0	34	-2.0	-118.78	312.39	3.86	-114.92
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C#N	REAL300000383552	0	38	-2.0	-134.57	346.66	7.45	-127.12
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C#N	REAL300000383553	0	38	-2.0	-137.68	338.96	7.74	-129.94
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000383554	1	37	-2.0	-123.46	346.38	7.47	-115.99
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000383557	1	41	-2.0	-132.47	370.95	8.47	-124.00
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=NS1	REAL300000383559	0	34	-2.0	-116.41	326.43	2.31	-114.10
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000383561	0	30	-2.0	-119.59	293.93	4.21	-115.38
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000383564	0	40	-3.0	-187.49	363.86	6.87	-180.62
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000383564	1	41	-2.0	-122.70	361.62	6.36	-116.34
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300000383565	0	38	-2.0	-127.60	346.71	2.12	-125.48
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1CC	REAL300000383566	1	43	-2.0	-131.25	360.56	8.95	-122.30
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000383567	0	34	-2.0	-133.81	317.31	6.49	-127.32
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000383569	0	33	-3.0	-182.61	335.75	6.05	-176.56
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000383570	1	39	-2.0	-137.19	343.43	7.01	-130.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=CN1C	REAL300000383571	0	41	-2.0	-127.87	367.62	6.76	-121.11
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000383572	0	35	-2.0	-129.23	333.03	6.93	-122.30
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=N1	REAL300000383573	0	33	-2.0	-127.29	306.14	2.83	-124.46
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1	REAL300000383574	0	37	-2.0	-116.50	361.75	5.78	-110.72
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000383575	0	41	-2.0	-124.82	357.09	6.18	-118.64
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000383576	0	41	-2.0	-121.84	352.42	6.49	-115.35
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000383577	0	44	-2.0	-121.58	376.55	7.11	-114.47
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000383578	0	35	-2.0	-106.53	340.93	6.07	-100.46
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000383578	1	34	-3.0	-209.30	346.15	6.12	-203.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300000383579	0	45	-2.0	-134.63	382.24	4.51	-130.12
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300000383580	0	40	-2.0	-126.79	374.03	7.41	-119.38
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000383581	1	40	-2.0	-125.21	357.91	3.75	-121.46
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000383582	0	31	-2.0	-126.32	311.30	5.10	-121.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(OC)C(F)=C1	REAL300000383583	1	38	-2.0	-115.98	353.06	6.06	-109.92
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000383584	0	41	-2.0	-128.70	351.58	6.53	-122.17
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(OC)C=C1F	REAL300000383585	0	38	-2.0	-125.93	348.39	5.95	-119.98
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300000383587	0	44	-2.0	-135.10	381.64	7.90	-127.20
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC=C1C	REAL300000383588	0	37	-2.0	-125.01	331.93	7.18	-117.83
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000383589	0	42	-2.0	-141.39	364.45	7.09	-134.30
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000383590	0	42	-2.0	-124.77	375.86	6.17	-118.60
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300000383591	1	42	-2.0	-131.53	375.42	8.71	-122.82
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300000383592	0	38	-2.0	-130.17	343.67	7.17	-123.00
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300000383593	0	40	-2.0	-134.18	360.90	7.12	-127.06
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000383594	0	31	-2.0	-124.91	312.61	5.94	-118.97
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Br)=NN1C	REAL300000383595	0	34	-2.0	-113.52	328.13	4.68	-108.84
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000383596	0	36	-2.0	-117.10	341.08	5.67	-111.43
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300000383597	0	39	-2.0	-142.29	347.88	6.12	-136.17
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=NN1CC	REAL300000383598	0	36	-2.0	-112.42	322.41	3.85	-108.57
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000383600	1	35	-2.0	-115.73	322.07	5.29	-110.44
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000383601	0	37	-2.0	-130.62	346.03	7.93	-122.69
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000383602	0	37	-2.0	-143.55	352.10	6.21	-137.34
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000383603	0	41	-2.0	-120.15	359.13	6.23	-113.92
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300000383605	0	42	-2.0	-134.07	355.49	6.23	-127.84
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300000383606	1	43	-2.0	-135.06	375.51	3.73	-131.33
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000383607	0	37	-2.0	-130.03	336.97	6.79	-123.24
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC(OC)=C1OC	REAL300000383608	0	42	-2.0	-136.04	366.62	6.83	-129.21
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300000383609	0	47	-2.0	-129.30	395.50	7.40	-121.90
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300000383610	0	38	-2.0	-133.24	358.03	8.45	-124.79
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000383611	0	41	-2.0	-128.31	362.47	6.43	-121.88
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000383613	0	37	-2.0	-136.54	336.62	5.72	-130.82
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000383614	0	39	-2.0	-145.37	351.74	4.91	-140.46
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000383615	0	41	-2.0	-130.70	347.87	8.48	-122.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(N)C(C)=C1	REAL300000383616	1	38	-2.0	-127.54	335.21	4.22	-123.32
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSN=C1OC	REAL300000383617	0	34	-2.0	-124.14	324.48	2.38	-121.76
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)NC=N1	REAL300000383618	0	34	-2.0	-134.95	306.13	4.58	-130.37
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000383620	1	37	-2.0	-126.04	340.92	6.90	-119.14
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000383621	0	44	-2.0	-128.67	378.24	6.90	-121.77
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300000383622	1	52	-2.0	-134.97	419.65	10.36	-124.61
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000383623	0	31	-2.0	-124.91	313.03	6.05	-118.86
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000383624	0	44	-2.0	-124.87	381.16	7.15	-117.72
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000383625	0	38	-2.0	-135.08	345.34	7.62	-127.46
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300000383626	1	47	-2.0	-139.52	396.98	4.92	-134.60
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300000383627	0	43	-2.0	-155.96	372.61	7.71	-148.25
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383628	1	43	-2.0	-131.56	371.58	8.72	-122.84
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=NN1C	REAL300000383629	0	40	-2.0	-117.28	363.46	4.85	-112.43
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300000383630	0	35	-2.0	-130.28	331.71	6.85	-123.43
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000383631	0	41	-2.0	-124.62	352.88	6.05	-118.57
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000383632	0	38	-2.0	-112.88	363.63	7.86	-105.02
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000383635	0	43	-2.0	-118.00	353.06	6.36	-111.64
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000383636	0	43	-2.0	-125.64	371.68	6.22	-119.42
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000383637	0	41	-2.0	-125.33	354.75	5.58	-119.75
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300000383638	0	39	-2.0	-116.54	358.11	6.33	-110.21
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000383639	0	45	-2.0	-125.28	381.46	7.33	-117.95
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C([N+](=O)[O-])=C1	REAL300000383640	0	36	-2.0	-109.50	346.21	7.26	-102.24
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300000383641	1	37	-2.0	-117.94	352.65	7.59	-110.35
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000383642	1	37	-2.0	-129.10	335.20	7.33	-121.77
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000383643	0	34	-2.0	-125.77	324.57	6.74	-119.03
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000383644	0	34	-2.0	-119.12	338.92	6.62	-112.50
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=NN1C	REAL300000383645	0	37	-2.0	-119.09	328.35	4.78	-114.31
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C	REAL300000383647	1	40	-2.0	-130.96	339.69	7.81	-123.15
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000383648	0	37	-2.0	-126.65	334.98	7.52	-119.13
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383649	1	45	-2.0	-139.84	391.77	8.55	-131.29
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300000383651	1	44	-2.0	-131.68	387.44	8.20	-123.48
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300000383653	0	39	-2.0	-125.79	366.00	6.99	-118.80
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(COC(C)=O)C=C1	REAL300000383654	1	43	-2.0	-128.98	385.62	8.17	-120.81
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000383655	0	35	-2.0	-125.56	339.84	7.36	-118.20
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000383656	0	34	-2.0	-126.60	322.60	6.60	-120.00
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000383657	1	41	-2.0	-131.26	356.41	8.62	-122.64
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(OC)SC=C1	REAL300000383658	0	35	-2.0	-133.43	329.46	4.95	-128.48
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300000383659	0	37	-2.0	-125.64	334.12	7.80	-117.84
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=C(C)S1	REAL300000383660	0	40	-2.0	-122.75	372.17	6.82	-115.93
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000383661	0	41	-2.0	-132.42	361.90	8.67	-123.75
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000383662	0	44	-2.0	-122.33	372.01	7.10	-115.23
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)CC	REAL300000383663	0	43	-2.0	-121.54	367.15	6.40	-115.14
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(=O)NC)C=C1	REAL300000383664	1	43	-2.0	-135.65	378.41	4.03	-131.62
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300000383666	0	37	-2.0	-132.77	361.12	3.01	-129.76
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000383667	0	39	-2.0	-137.85	350.80	4.87	-132.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)O1	REAL300000383668	0	37	-2.0	-127.66	333.27	6.11	-121.55
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000383669	0	34	-2.0	-119.21	331.04	5.73	-113.48
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1OC	REAL300000383670	0	38	-2.0	-124.61	348.15	6.41	-118.20
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300000383671	0	48	-2.0	-127.42	405.52	5.65	-121.77
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000383672	1	40	-2.0	-128.02	360.40	8.04	-119.98
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000383673	1	38	-2.0	-127.99	346.44	6.09	-121.90
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)S1	REAL300000383675	0	35	-2.0	-124.83	330.98	4.96	-119.87
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300000383676	0	45	-2.0	-147.03	378.61	8.80	-138.23
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000383678	0	37	-2.0	-121.82	339.86	5.20	-116.62
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383679	1	44	-2.0	-132.61	384.11	7.20	-125.41
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1CCl	REAL300000383680	0	37	-2.0	-120.01	358.86	5.97	-114.04
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300000383681	0	44	-2.0	-121.88	386.86	7.69	-114.19
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000383682	0	47	-2.0	-124.46	393.58	7.45	-117.01
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000383684	1	37	-2.0	-133.13	327.74	7.47	-125.66
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1CC	REAL300000383685	1	46	-2.0	-137.34	396.50	9.23	-128.11
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000383686	0	37	-2.0	-130.07	332.70	6.91	-123.16
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000383687	1	36	-2.0	-129.80	338.13	5.91	-123.89
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(CC)N=C1	REAL300000383688	0	36	-2.0	-124.32	327.90	3.38	-120.94
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(CC)N=C1	REAL300000383689	0	37	-2.0	-122.45	348.85	5.43	-117.02
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300000383690	0	36	-2.0	-119.18	348.21	5.78	-113.40
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000383691	0	31	-2.0	-120.52	306.94	5.12	-115.40
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300000383692	1	39	-2.0	-136.95	360.40	7.48	-129.47
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300000383693	1	43	-2.0	-139.42	365.98	9.36	-130.06
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000383695	0	34	-2.0	-120.95	334.70	7.12	-113.83
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1	REAL300000383696	0	40	-2.0	-136.33	370.85	2.80	-133.53
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300000383697	0	44	-2.0	-129.21	376.71	7.64	-121.57
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000383699	0	38	-2.0	-128.94	351.00	7.83	-121.11
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300000383700	1	37	-2.0	-116.19	352.63	7.32	-108.87
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300000383702	0	30	-2.0	-115.58	311.14	4.93	-110.65
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CO1	REAL300000383703	0	34	-2.0	-126.65	311.78	5.18	-121.47
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)OC)C=C1	REAL300000383704	1	44	-2.0	-128.30	393.86	8.41	-119.89
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300000383705	0	39	-2.0	-131.98	360.13	4.52	-127.46
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000383706	0	35	-2.0	-111.72	341.26	5.11	-106.61
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000383706	1	34	-3.0	-182.32	343.77	5.55	-176.77
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000383707	0	33	-2.0	-111.45	324.82	5.14	-106.31
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300000383708	1	38	-2.0	-126.66	352.66	6.16	-120.50
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000383709	0	40	-2.0	-124.26	350.59	6.51	-117.75
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000383710	1	41	-2.0	-136.19	360.92	8.27	-127.92
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300000383711	0	37	-2.0	-128.50	337.87	7.91	-120.59
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300000383712	0	31	-2.0	-115.92	332.26	6.61	-109.31
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000383713	0	34	-2.0	-121.90	327.04	4.56	-117.34
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300000383714	0	47	-2.0	-127.64	400.91	8.94	-118.70
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300000383715	1	39	-2.0	-125.02	358.64	7.15	-117.87
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300000383716	1	45	-2.0	-131.45	395.94	9.36	-122.09
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000383717	0	40	-2.0	-141.33	339.71	8.18	-133.15
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000383718	0	32	-2.0	-130.09	311.35	4.96	-125.13
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300000383719	1	39	-2.0	-124.35	362.05	5.08	-119.27
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300000383720	0	35	-2.0	-128.03	348.69	5.30	-122.73
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)S1	REAL300000383721	0	43	-2.0	-130.16	389.13	5.57	-124.59
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)S1	REAL300000383721	1	42	-3.0	-191.31	384.86	4.46	-186.85
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300000383722	0	36	-2.0	-118.69	334.94	5.90	-112.79
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000383723	1	45	-2.0	-132.60	390.52	8.13	-124.47
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300000383724	0	44	-2.0	-128.68	383.98	7.31	-121.37
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300000383725	0	38	-2.0	-136.94	345.43	5.85	-131.09
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300000383726	1	40	-2.0	-126.84	369.82	9.29	-117.55
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300000383729	0	47	-2.0	-123.52	393.96	7.71	-115.81
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000383730	0	31	-2.0	-123.80	305.99	5.02	-118.78
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000383731	0	31	-2.0	-121.52	315.99	6.02	-115.50
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300000383732	0	48	-2.0	-138.60	412.01	6.81	-131.79
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300000383733	0	40	-2.0	-132.14	366.04	9.34	-122.80
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000383734	0	42	-2.0	-120.47	359.48	4.25	-116.22
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000383735	1	41	-2.0	-134.41	347.05	8.55	-125.86
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)N=C1C	REAL300000383739	1	40	-2.0	-120.71	350.04	3.95	-116.76
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CN=C1OC	REAL300000383740	0	40	-2.0	-132.70	354.61	4.32	-128.38
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300000383741	0	37	-2.0	-125.99	349.91	4.18	-121.81
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300000383742	1	40	-2.0	-121.83	354.50	3.92	-117.91
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000383743	0	43	-2.0	-124.56	370.13	6.66	-117.90
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300000383744	0	43	-2.0	-125.58	372.64	6.19	-119.39
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300000383745	0	33	-2.0	-122.44	334.84	4.44	-118.00
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000383746	0	32	-2.0	-126.27	310.15	4.92	-121.35
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000383747	0	32	-2.0	-130.86	316.66	5.89	-124.97
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000383748	0	40	-2.0	-120.65	348.92	5.78	-114.87
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1	REAL300000383749	0	42	-2.0	-118.78	373.97	5.88	-112.90
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000383750	0	44	-2.0	-107.26	380.39	8.91	-98.35
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000383750	1	43	-3.0	-191.18	381.78	8.95	-182.23
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300000383751	0	37	-2.0	-131.78	345.96	8.18	-123.60
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000383752	0	41	-2.0	-119.53	356.04	6.66	-112.87
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000383753	0	41	-2.0	-125.49	359.14	7.72	-117.77
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300000383755	0	43	-2.0	-127.48	371.68	6.25	-121.23
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300000383756	1	41	-2.0	-128.68	367.05	8.71	-119.97
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000383757	0	36	-2.0	-127.79	336.42	5.62	-122.17
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(S(=O)(=O)F)=CS1	REAL300000383758	0	34	-2.0	-126.55	345.83	2.70	-123.85
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300000383760	1	41	-2.0	-129.92	368.70	8.75	-121.17
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300000383761	0	38	-2.0	-129.23	357.64	6.98	-122.25
CCC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000383762	0	44	-2.0	-126.38	378.36	8.89	-117.49
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000383762	1	43	-3.0	-193.00	379.74	8.94	-184.06
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000383763	1	35	-2.0	-129.14	318.21	3.66	-125.48
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000383764	0	37	-2.0	-131.49	344.86	7.44	-124.05
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000383765	0	30	-2.0	-117.28	292.85	4.10	-113.18
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000383766	0	38	-2.0	-138.11	355.25	5.77	-132.34
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300000383767	1	41	-2.0	-117.67	356.91	8.62	-109.05
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl	REAL300000383768	0	37	-2.0	-126.23	354.23	8.11	-118.12
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300000383769	0	41	-2.0	-126.68	375.13	7.56	-119.12
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300000383770	1	41	-2.0	-134.10	352.30	6.93	-127.17
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300000383771	0	42	-2.0	-146.68	364.91	7.67	-139.01
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2CC)C=C(C(=O)[O-])O1	REAL300000383772	0	39	-3.0	-190.29	353.23	6.94	-183.35
CCC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2CC)C=C(C(=O)[O-])O1	REAL300000383772	1	40	-2.0	-140.69	357.18	6.55	-134.14
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300000383773	0	47	-2.0	-140.39	395.23	8.45	-131.94
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300000383774	0	34	-2.0	-121.74	333.74	6.89	-114.85
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000383775	0	30	-2.0	-122.53	293.78	3.63	-118.90
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000383776	0	41	-2.0	-128.72	352.91	5.82	-122.90
CCC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000383777	0	37	-2.0	-134.34	334.09	7.23	-127.11
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000383778	1	42	-2.0	-107.54	376.73	5.13	-102.41
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000383779	1	42	-2.0	-97.56	372.17	5.11	-92.45
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000383780	1	42	-2.0	-110.15	372.19	5.10	-105.05
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000383781	0	46	-2.0	-114.98	400.33	4.90	-110.08
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000383782	1	46	-2.0	-97.07	403.66	6.40	-90.67
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000383783	1	45	-2.0	-111.23	388.20	5.63	-105.60
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000383784	0	42	-2.0	-105.12	385.26	5.67	-99.45
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000383785	1	42	-2.0	-105.80	384.70	5.49	-100.31
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000383786	1	48	-2.0	-112.42	404.87	6.46	-105.96
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000383787	0	42	-2.0	-106.91	377.66	5.16	-101.75
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000383788	1	48	-2.0	-96.24	415.75	6.69	-89.55
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000383789	0	39	-2.0	-104.27	365.37	4.12	-100.15
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000383790	1	45	-2.0	-110.23	387.62	5.88	-104.35
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000383791	1	46	-2.0	-95.83	403.27	5.39	-90.44
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000383792	0	43	-2.0	-108.48	378.84	4.46	-104.02
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000383794	0	42	-2.0	-100.44	381.30	4.79	-95.65
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000383795	1	48	-2.0	-111.87	403.26	6.45	-105.42
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000383796	0	39	-2.0	-105.78	363.84	4.13	-101.65
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000383797	1	46	-2.0	-116.00	399.47	5.17	-110.83
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCCOC)=C1	REAL300000383798	1	48	-2.0	-108.42	402.34	6.82	-101.60
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000383799	0	42	-2.0	-103.42	375.20	4.24	-99.18
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000383800	0	46	-2.0	-111.47	401.17	4.19	-107.28
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000383801	1	45	-2.0	-100.95	392.90	5.92	-95.03
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000383802	0	42	-2.0	-106.73	380.79	4.99	-101.74
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000383803	0	42	-2.0	-95.13	385.24	5.66	-89.47
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000383804	1	42	-2.0	-97.07	376.71	5.14	-91.93
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000383805	0	39	-2.0	-99.26	364.45	4.23	-95.03
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000383806	1	42	-2.0	-100.88	378.60	5.16	-95.72
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000383807	0	45	-2.0	-108.30	397.95	5.81	-102.49
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000383808	0	42	-2.0	-97.07	377.65	5.17	-91.90
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000383809	1	42	-2.0	-95.04	384.68	5.50	-89.54
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000383810	0	43	-2.0	-108.94	381.90	2.81	-106.13
COCCCOC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000383810	1	43	-2.0	-107.74	381.00	3.69	-104.05
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000383811	1	45	-2.0	-100.66	394.35	5.89	-94.77
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000383812	1	45	-2.0	-106.84	382.26	5.74	-101.10
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000383813	1	45	-2.0	-108.87	397.02	5.75	-103.12
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000383814	1	45	-2.0	-97.56	387.60	5.87	-91.69
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000383815	1	48	-2.0	-114.66	408.99	6.27	-108.39
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000383816	1	48	-2.0	-111.21	405.58	6.51	-104.70
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000383817	0	45	-2.0	-109.13	397.50	5.80	-103.33
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000383818	0	45	-2.0	-115.81	397.22	5.79	-110.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCCOC)=C2)C=C1C(=O)[O-]	REAL300000383819	1	48	-2.0	-111.98	406.12	6.29	-105.69
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCCCOC)=C2)C=C1C(=O)[O-]	REAL300000383820	0	46	-2.0	-109.80	400.32	5.31	-104.49
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000383821	1	45	-2.0	-97.72	388.19	5.65	-92.07
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000383822	1	45	-2.0	-107.89	391.72	5.94	-101.95
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000383823	0	42	-2.0	-115.00	375.85	5.14	-109.86
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000383824	1	45	-2.0	-102.77	397.12	5.78	-96.99
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000383825	0	41	-2.0	-106.41	369.17	3.15	-103.26
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000383826	0	46	-2.0	-101.77	400.38	4.91	-96.86
COCCCOC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000383827	0	39	-2.0	-97.53	372.34	4.08	-93.45
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OCCCOC)=C2)C=C(C(=O)[O-])O1	REAL300000383828	0	45	-2.0	-103.25	394.32	5.09	-98.16
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=CC(C(=O)[O-])=C1	REAL300000383829	1	39	-2.0	-130.57	362.25	2.38	-128.19
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CC(C(=O)[O-])=C1	REAL300000383830	0	34	-2.0	-140.77	334.84	2.80	-137.97
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CC(C(=O)[O-])=C1	REAL300000383831	0	33	-2.0	-121.14	338.18	1.16	-119.98
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=CC(C(=O)[O-])=C1	REAL300000383832	1	35	-2.0	-128.02	347.20	2.92	-125.10
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=CC(C(=O)[O-])=C1	REAL300000383833	1	35	-2.0	-123.73	347.14	2.93	-120.80
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=CC(C(=O)[O-])=C1	REAL300000383834	0	35	-2.0	-140.33	344.44	2.81	-137.52
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383835	0	37	-2.0	-125.03	342.54	0.37	-124.66
CS(=O)(=O)C1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000383836	0	37	-2.0	-117.33	357.24	3.11	-114.22
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000383836	1	36	-3.0	-184.59	354.77	3.10	-181.49
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=CC(C(=O)[O-])=C1	REAL300000383837	1	41	-2.0	-134.70	371.84	4.45	-130.25
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383838	0	36	-2.0	-119.59	339.51	1.50	-118.09
CS(=O)(=O)C1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000383839	0	37	-2.0	-113.86	361.32	2.98	-110.88
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000383839	1	36	-3.0	-199.81	354.80	3.09	-196.72
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000383840	1	34	-2.0	-120.65	339.03	2.66	-117.99
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383841	1	37	-2.0	-133.76	347.74	3.20	-130.56
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000383843	1	34	-2.0	-128.41	343.06	3.06	-125.35
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=C1	REAL300000383844	1	39	-2.0	-129.84	366.79	2.93	-126.91
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383845	1	40	-2.0	-133.98	363.23	3.99	-129.99
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=C1C	REAL300000383846	1	40	-2.0	-134.59	364.75	3.74	-130.85
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383847	1	39	-2.0	-142.55	369.11	3.02	-139.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C(C)=C1	REAL300000383848	1	40	-2.0	-133.11	363.23	3.96	-129.15
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=C1	REAL300000383849	1	43	-2.0	-131.96	386.55	4.47	-127.49
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CC(C(=O)[O-])=C1	REAL300000383850	0	31	-2.0	-123.90	335.32	2.16	-121.74
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=C1	REAL300000383851	1	43	-2.0	-132.00	390.72	4.76	-127.24
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383852	0	38	-2.0	-140.37	354.57	2.33	-138.04
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000383853	0	34	-2.0	-133.54	339.47	3.10	-130.44
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC(C(=O)[O-])=C1	REAL300000383854	0	31	-2.0	-130.39	318.26	1.54	-128.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=C1	REAL300000383855	1	38	-2.0	-129.86	355.81	1.83	-128.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=C1	REAL300000383856	1	37	-2.0	-132.95	347.73	3.21	-129.74
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=C1	REAL300000383857	1	41	-2.0	-129.47	377.67	2.76	-126.71
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=CC(C(=O)[O-])=C1	REAL300000383858	0	34	-2.0	-127.36	338.23	2.67	-124.69
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC(C(=O)[O-])=C1	REAL300000383859	1	34	-2.0	-128.45	332.74	2.60	-125.85
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=CC(C(=O)[O-])=C1	REAL300000383860	0	34	-2.0	-121.78	339.15	2.67	-119.11
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=CC(C(=O)[O-])=C1	REAL300000383862	1	34	-2.0	-125.21	343.06	3.06	-122.15
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300000383863	1	34	-2.0	-133.01	326.32	2.54	-130.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)S1	REAL300000383864	0	34	-2.0	-131.47	340.14	2.33	-129.14
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=CC(C(=O)[O-])=C1	REAL300000383865	0	34	-2.0	-131.54	338.24	2.67	-128.87
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383867	0	40	-2.0	-129.62	363.03	1.57	-128.05
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=CC(C(=O)[O-])=C1	REAL300000383868	1	38	-2.0	-130.17	360.83	-0.68	-130.85
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=C1	REAL300000383869	1	40	-2.0	-132.35	369.22	3.98	-128.37
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=CC(C(=O)[O-])=C1	REAL300000383870	1	34	-2.0	-124.41	332.73	2.60	-121.81
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC(C(=O)[O-])=C1	REAL300000383871	0	34	-2.0	-137.25	331.80	2.60	-134.65
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383872	1	37	-2.0	-124.58	348.22	3.36	-121.22
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1Cl	REAL300000383873	0	34	-2.0	-137.86	343.80	2.10	-135.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=C1C	REAL300000383874	1	41	-2.0	-130.94	375.89	2.58	-128.36
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=N1	REAL300000383875	0	34	-2.0	-127.35	330.87	0.24	-127.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=C1F	REAL300000383877	1	37	-2.0	-129.37	353.05	3.24	-126.13
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383878	0	37	-2.0	-137.56	353.24	3.26	-134.30
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383879	1	37	-2.0	-129.26	348.22	3.38	-125.88
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383881	0	38	-2.0	-136.48	357.52	0.90	-135.58
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CNN=C2)=CC(C(=O)[O-])=C1	REAL300000383882	0	31	-2.0	-124.95	307.92	-1.08	-126.03
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=CC(C(=O)[O-])=C1	REAL300000383883	0	37	-2.0	-154.62	354.53	1.73	-152.89
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC(C(=O)[O-])=C1	REAL300000383884	0	33	-2.0	-121.38	327.74	0.81	-120.57
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383885	0	34	-2.0	-140.14	330.35	1.62	-138.52
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=CC(C(=O)[O-])=C1	REAL300000383886	0	34	-2.0	-118.80	342.28	1.06	-117.74
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=CC(C(=O)[O-])=C1	REAL300000383887	0	34	-2.0	-133.87	338.13	2.66	-131.21
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=CN1C	REAL300000383888	0	37	-2.0	-141.61	349.86	1.43	-140.18
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=N1	REAL300000383889	0	37	-2.0	-127.54	352.43	1.08	-126.46
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383890	1	41	-2.0	-134.79	381.40	2.26	-132.53
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=CC(C(=O)[O-])=C1	REAL300000383891	1	39	-2.0	-130.17	362.30	1.83	-128.34
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383892	0	34	-2.0	-125.41	326.71	-0.42	-125.83
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383893	1	38	-2.0	-134.12	355.85	1.83	-132.29
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383894	1	37	-2.0	-133.05	341.82	3.30	-129.75
CN1C=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=N1	REAL300000383896	0	34	-2.0	-136.93	331.18	0.07	-136.86
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383897	0	34	-2.0	-121.85	326.57	0.16	-121.69
COCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383898	1	34	-2.0	-124.15	323.22	-0.64	-124.79
CS(=O)(=O)C1=CC([N-]S(=O)(=O)CC2CCCO2)=CC(C(=O)[O-])=C1	REAL300000383899	1	38	-2.0	-136.38	345.68	0.75	-135.63
CS(=O)(=O)C1=CC([N-]S(=O)(=O)CC2CCCCO2)=CC(C(=O)[O-])=C1	REAL300000383900	1	41	-2.0	-134.04	363.18	1.83	-132.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C(F)=C1	REAL300000383903	0	37	-2.0	-136.68	353.24	3.27	-133.41
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=CC=C1F	REAL300000383904	1	37	-2.0	-125.04	353.07	3.23	-121.81
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CNC=N2)=CC(C(=O)[O-])=C1	REAL300000383905	0	31	-2.0	-136.94	307.63	-0.07	-137.01
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)SC=C1	REAL300000383907	0	34	-2.0	-133.52	337.06	2.16	-131.36
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383910	1	38	-2.0	-128.76	362.60	3.70	-125.06
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383911	1	38	-2.0	-123.77	362.58	3.69	-120.08
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=CC(C(=O)[O-])=C1	REAL300000383913	0	35	-2.0	-126.65	352.63	2.99	-123.66
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=N1	REAL300000383914	0	40	-2.0	-127.61	371.10	1.62	-125.99
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=CN1	REAL300000383916	0	40	-2.0	-138.40	370.15	0.96	-137.44
CC(C)OCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383919	1	40	-2.0	-124.85	365.35	1.07	-123.78
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383920	1	37	-2.0	-127.93	347.14	3.33	-124.60
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)S1	REAL300000383921	0	36	-2.0	-127.66	351.56	1.11	-126.55
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=CC(C(=O)[O-])=C1	REAL300000383922	1	38	-2.0	-138.44	368.57	3.71	-134.73
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383923	1	40	-2.0	-134.06	369.22	3.97	-130.09
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383924	1	37	-2.0	-129.11	354.14	3.27	-125.84
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)SC=C1	REAL300000383927	0	35	-2.0	-142.13	348.50	0.81	-141.32
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CC(C(=O)[O-])=C1	REAL300000383928	0	37	-2.0	-132.99	356.10	2.93	-130.06
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383929	0	34	-2.0	-118.74	341.31	1.48	-117.26
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)N=C1Cl	REAL300000383930	0	34	-2.0	-134.39	346.51	1.37	-133.02
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=CC(C(=O)[O-])=C1	REAL300000383931	0	35	-2.0	-135.92	342.16	1.27	-134.65
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)S1	REAL300000383932	0	33	-2.0	-126.78	334.86	0.35	-126.43
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383933	1	41	-2.0	-126.83	378.70	-0.41	-127.24
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383935	0	40	-2.0	-139.26	371.78	2.91	-136.35
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1C#N	REAL300000383937	0	38	-2.0	-141.26	363.59	3.32	-137.94
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383938	0	40	-2.0	-139.31	373.66	3.28	-136.03
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1F	REAL300000383939	0	37	-2.0	-138.24	352.15	3.25	-134.99
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=CC(C(=O)[O-])=C1	REAL300000383940	0	41	-2.0	-142.28	372.11	2.57	-139.71
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=C1	REAL300000383941	1	41	-2.0	-132.24	381.39	2.27	-129.97
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C(C)O1	REAL300000383943	0	37	-2.0	-129.77	349.28	2.11	-127.66
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383944	1	41	-2.0	-131.23	372.93	2.57	-128.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)O1	REAL300000383945	0	34	-2.0	-130.61	330.92	1.35	-129.26
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383946	0	37	-2.0	-132.49	358.54	2.89	-129.60
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=CC(C(=O)[O-])=C1	REAL300000383947	1	37	-2.0	-127.31	352.37	1.20	-126.11
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000383948	0	33	-2.0	-121.73	338.08	1.23	-120.50
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)N=C1C	REAL300000383949	0	40	-2.0	-140.61	371.87	2.33	-138.28
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)S1	REAL300000383950	0	36	-2.0	-126.41	356.35	1.11	-125.30
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CC(C(=O)[O-])=C1	REAL300000383951	0	37	-2.0	-141.70	354.25	2.85	-138.85
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383955	1	43	-2.0	-136.39	380.34	4.53	-131.86
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CO2)=CC(C(=O)[O-])=C1	REAL300000383956	0	31	-2.0	-129.38	309.02	0.53	-128.85
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383957	0	33	-2.0	-114.88	319.75	-1.00	-115.88
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CC(C(=O)[O-])=C1	REAL300000383958	0	38	-2.0	-132.35	354.31	1.97	-130.38
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383959	1	40	-2.0	-132.08	356.54	4.25	-127.83
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383961	0	37	-2.0	-138.12	345.93	3.50	-134.62
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383963	0	37	-2.0	-127.55	350.91	-0.00	-127.55
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=CC(C(=O)[O-])=C1	REAL300000383965	1	38	-2.0	-133.41	359.17	3.80	-129.61
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=CC(C(=O)[O-])=C1	REAL300000383966	1	38	-2.0	-138.84	368.59	3.70	-135.14
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C(N)=NO1	REAL300000383967	0	35	-2.0	-118.78	332.76	-0.07	-118.85
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383968	1	41	-2.0	-134.92	371.30	2.61	-132.31
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=CC(C(=O)[O-])=C1	REAL300000383970	0	32	-2.0	-121.51	338.83	2.09	-119.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=N1	REAL300000383971	0	36	-2.0	-128.70	342.93	1.36	-127.34
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=CC=C1C#N	REAL300000383972	1	38	-2.0	-123.44	366.30	3.43	-120.01
COC(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383973	1	37	-2.0	-131.43	341.88	0.52	-130.91
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)N(C)N=C1	REAL300000383975	0	37	-2.0	-122.71	343.23	1.00	-121.71
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=CC(C(=O)[O-])=C1	REAL300000383976	0	32	-2.0	-121.92	330.26	1.07	-120.85
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CSC=C2)=CC(C(=O)[O-])=C1	REAL300000383977	0	31	-2.0	-128.29	317.43	1.44	-126.85
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=COC=C2)=CC(C(=O)[O-])=C1	REAL300000383978	0	31	-2.0	-127.84	308.86	0.42	-127.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=N1	REAL300000383979	0	37	-2.0	-123.96	353.50	-0.78	-124.74
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=CC(C(=O)[O-])=C1	REAL300000383980	0	37	-2.0	-137.17	352.93	1.16	-136.01
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383981	1	41	-2.0	-134.17	377.68	2.76	-131.41
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000383982	0	40	-2.0	-158.51	370.75	0.11	-158.40
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=CC(C(=O)[O-])=C1	REAL300000383983	0	31	-2.0	-132.14	334.31	1.98	-130.16
CC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383984	0	34	-2.0	-130.43	339.90	2.20	-128.23
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC(C(=O)[O-])=C1	REAL300000383985	0	31	-2.0	-124.90	324.62	-0.66	-125.56
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=CC(C(=O)[O-])=C1	REAL300000383986	0	33	-2.0	-123.90	333.23	0.65	-123.25
CC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000383987	0	33	-2.0	-123.20	334.83	0.83	-122.37
CS(=O)(=O)C1=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=CC(C(=O)[O-])=C1	REAL300000383989	0	38	-2.0	-159.66	357.49	-0.20	-159.86
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000383990	1	41	-2.0	-132.00	375.55	4.64	-127.36
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC(C(=O)[O-])=C1	REAL300000383991	0	31	-2.0	-135.43	324.61	1.57	-133.86
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000383992	0	35	-2.0	-119.72	353.04	2.97	-116.75
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300000383993	1	38	-2.0	-136.09	347.88	1.58	-134.51
CS(=O)(=O)C1=CC([N-]S(=O)(=O)N=S(C)(C)=O)=CC(C(=O)[O-])=C1	REAL300000383994	0	34	-2.0	-156.69	331.69	-1.55	-158.24
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=NC=CN2)=CC(C(=O)[O-])=C1	REAL300000383995	0	31	-2.0	-131.39	307.96	-0.89	-132.28
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)S1	REAL300000383996	0	37	-2.0	-134.69	358.95	2.97	-131.72
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=NN1C	REAL300000383999	0	37	-2.0	-129.33	346.99	0.76	-128.57
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=C1	REAL300000384000	1	38	-2.0	-132.68	357.41	3.62	-129.06
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384001	0	37	-2.0	-128.62	349.71	0.89	-127.73
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=CC(C(=O)[O-])=C1	REAL300000384002	0	34	-2.0	-120.46	342.20	1.14	-119.32
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384003	1	42	-2.0	-125.38	374.62	2.51	-122.87
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=CC(C(=O)[O-])=C1	REAL300000384005	1	39	-2.0	-134.37	362.13	2.37	-132.00
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CC(C(=O)[O-])=C1	REAL300000384007	0	39	-2.0	-143.14	362.64	2.35	-140.79
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)OC	REAL300000384008	1	40	-2.0	-131.25	360.11	0.86	-130.39
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384009	1	46	-2.0	-131.62	396.67	2.12	-129.50
CS(=O)(=O)C1=CC([N-]S(=O)(=O)CCOCC2CC2)=CC(C(=O)[O-])=C1	REAL300000384010	1	41	-2.0	-124.55	376.75	1.91	-122.64
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CC1	REAL300000384011	1	41	-2.0	-131.30	369.13	1.92	-129.38
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384012	0	33	-2.0	-119.84	323.27	0.49	-119.35
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384013	0	39	-2.0	-145.00	368.00	-1.53	-146.53
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC(C(=O)[O-])=C1	REAL300000384014	0	33	-2.0	-133.12	326.81	0.72	-132.40
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC(C(=O)[O-])=C1	REAL300000384017	0	33	-2.0	-120.22	327.73	0.68	-119.54
CS(=O)(=O)C1=CC([N-]S(=O)(=O)CCOCC2CCC2)=CC(C(=O)[O-])=C1	REAL300000384018	1	44	-2.0	-124.62	393.31	2.44	-122.18
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=CC(C(=O)[O-])=C1	REAL300000384019	0	32	-2.0	-134.91	336.74	1.93	-132.98
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C(C)C	REAL300000384021	1	43	-2.0	-131.03	378.17	1.57	-129.46
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CC1	REAL300000384024	1	44	-2.0	-132.39	389.79	2.89	-129.50
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)N1C	REAL300000384025	0	37	-2.0	-126.99	345.51	1.57	-125.42
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=CC(C(=O)[O-])=C1	REAL300000384026	0	35	-2.0	-121.35	353.55	3.00	-118.35
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=CC(C(=O)[O-])=C1	REAL300000384027	0	36	-2.0	-128.13	349.61	1.57	-126.56
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=CC(C(=O)[O-])=C1	REAL300000384027	1	36	-2.0	-143.78	349.50	1.72	-142.06
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300000384028	0	38	-2.0	-139.24	360.07	2.50	-136.74
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=CC(C(=O)[O-])=C1	REAL300000384030	0	35	-2.0	-131.28	342.52	0.30	-130.98
CS(=O)(=O)C1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=CC(C(=O)[O-])=C1	REAL300000384030	1	35	-2.0	-104.00	341.72	1.06	-102.94
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384031	0	40	-2.0	-128.76	369.18	1.69	-127.07
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=CC(C(=O)[O-])=C1	REAL300000384032	0	34	-2.0	-122.17	331.56	-0.13	-122.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C(C#N)=C1	REAL300000384033	0	38	-2.0	-138.85	365.83	3.48	-135.37
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384034	0	38	-2.0	-141.51	358.08	3.77	-137.74
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000384035	0	34	-2.0	-119.53	345.58	-1.67	-121.20
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC(C(=O)[O-])=C1	REAL300000384036	0	30	-2.0	-122.98	313.07	0.24	-122.74
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384038	1	43	-2.0	-132.89	378.04	5.03	-127.86
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=CC(C(=O)[O-])=C1	REAL300000384039	0	35	-2.0	-133.36	352.12	2.96	-130.40
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)N=N1	REAL300000384040	0	33	-2.0	-130.74	325.13	-1.14	-131.88
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=CC(C(=O)[O-])=C1	REAL300000384041	0	41	-2.0	-128.26	376.23	2.21	-126.05
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=CC(C(=O)[O-])=C1	REAL300000384042	0	41	-2.0	-124.87	373.62	2.42	-122.45
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=CC(C(=O)[O-])=C1	REAL300000384043	0	41	-2.0	-129.97	369.24	2.59	-127.38
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384044	0	37	-2.0	-127.48	349.38	3.24	-124.24
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000384045	0	31	-2.0	-128.67	331.75	1.97	-126.70
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384046	0	36	-2.0	-115.63	341.56	-0.13	-115.76
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000384048	1	35	-2.0	-119.25	341.21	1.32	-117.93
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384049	0	41	-2.0	-123.39	378.27	2.25	-121.14
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300000384050	0	37	-2.0	-133.48	356.11	2.81	-130.67
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C(C2CC2)=N1	REAL300000384051	0	41	-2.0	-131.83	381.63	2.46	-129.37
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=CN=C1N	REAL300000384052	1	38	-2.0	-130.40	354.34	0.24	-130.16
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384053	0	34	-2.0	-127.69	343.62	-1.60	-129.29
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)N=CN1	REAL300000384054	0	34	-2.0	-139.28	325.44	0.63	-138.65
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=CC(C(=O)[O-])=C1	REAL300000384056	0	31	-2.0	-128.37	332.17	2.07	-126.30
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000384057	1	43	-2.0	-134.15	390.72	4.75	-129.40
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=CC(C(=O)[O-])=C1	REAL300000384058	0	35	-2.0	-134.21	350.82	2.88	-131.33
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384059	0	41	-2.0	-127.77	372.02	2.06	-125.71
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384061	1	40	-2.0	-131.48	356.11	4.21	-127.27
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=CC(C(=O)[O-])=C1	REAL300000384062	0	41	-2.0	-128.85	374.91	1.62	-127.23
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=CC(C(=O)[O-])=C1	REAL300000384063	1	37	-2.0	-131.93	354.31	3.36	-128.57
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000384064	0	37	-2.0	-122.71	348.51	0.75	-121.96
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1C	REAL300000384066	1	40	-2.0	-133.81	359.53	3.85	-129.96
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=CC(C(=O)[O-])=C1	REAL300000384067	1	41	-2.0	-133.91	375.55	4.64	-129.27
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=CS1	REAL300000384068	0	35	-2.0	-136.34	348.57	0.99	-135.35
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)O1	REAL300000384070	0	37	-2.0	-130.65	352.41	2.13	-128.52
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)S1	REAL300000384071	0	35	-2.0	-127.90	350.11	0.98	-126.92
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CC(C(=O)[O-])=C1	REAL300000384072	0	37	-2.0	-125.35	359.00	1.23	-124.12
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CC(C(=O)[O-])=C1	REAL300000384073	0	37	-2.0	-134.35	347.97	3.46	-130.89
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC(C(=O)[O-])=C1	REAL300000384074	0	37	-2.0	-133.69	351.83	2.93	-130.76
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=N1	REAL300000384075	0	36	-2.0	-127.51	347.04	-0.60	-128.11
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC(C(=O)[O-])=C1	REAL300000384076	0	31	-2.0	-123.94	326.07	1.15	-122.79
CC1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000384078	0	34	-2.0	-129.72	330.92	1.20	-128.52
CN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1Cl	REAL300000384079	0	34	-2.0	-125.02	346.18	0.58	-124.44
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=CC(C(=O)[O-])=C1	REAL300000384080	0	32	-2.0	-130.32	328.20	0.99	-129.33
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC(C(=O)[O-])=C1	REAL300000384081	0	31	-2.0	-126.89	325.10	1.03	-125.86
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CC(C(=O)[O-])=C1	REAL300000384082	0	31	-2.0	-124.50	335.14	2.05	-122.45
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=CC(C(=O)[O-])=C1	REAL300000384083	1	41	-2.0	-137.54	369.89	4.70	-132.84
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=CC(C(=O)[O-])=C1	REAL300000384085	0	32	-2.0	-130.12	329.30	0.94	-129.18
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=CC(C(=O)[O-])=C1	REAL300000384086	0	32	-2.0	-137.24	338.38	1.86	-135.38
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300000384087	0	40	-2.0	-123.67	368.03	1.80	-121.87
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CC(C(=O)[O-])=C1	REAL300000384088	0	41	-2.0	-123.38	378.54	2.65	-120.73
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000384089	0	37	-2.0	-127.01	357.39	-1.12	-128.13
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC(C(=O)[O-])=C1	REAL300000384091	1	35	-2.0	-132.01	337.35	-0.32	-132.33
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC(C(=O)[O-])=C1	REAL300000384092	0	30	-2.0	-120.36	311.98	0.13	-120.23
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC(C(=O)[O-])=C1	REAL300000384093	0	30	-2.0	-125.51	312.92	-0.35	-125.86
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=CC(C(=O)[O-])=C1	REAL300000384094	0	41	-2.0	-131.16	372.06	1.85	-129.31
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300000384095	0	37	-2.0	-137.56	353.24	3.26	-134.30
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000384096	0	39	-2.0	-89.44	347.23	3.63	-85.81
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000384097	0	32	-2.0	-105.18	295.30	5.08	-100.10
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC=C1O	REAL300000384098	0	40	-2.0	-107.46	350.39	6.02	-101.44
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=C1	REAL300000384099	0	32	-2.0	-102.48	307.19	5.74	-96.74
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000384100	0	32	-2.0	-96.37	290.74	5.05	-91.32
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000384101	0	32	-2.0	-109.85	290.77	5.04	-104.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC=C1O	REAL300000384102	0	36	-2.0	-114.96	318.91	4.73	-110.23
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000384103	0	32	-2.0	-103.27	307.01	5.53	-97.74
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000384104	0	36	-2.0	-95.53	322.22	6.34	-89.19
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000384105	0	35	-2.0	-111.16	306.79	5.57	-105.59
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000384106	0	32	-2.0	-103.27	303.84	5.59	-97.68
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000384107	0	32	-2.0	-103.63	303.27	5.44	-98.19
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000384108	0	32	-2.0	-98.97	316.34	5.97	-93.00
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000384109	0	38	-2.0	-110.76	323.44	6.38	-104.38
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000384110	0	32	-2.0	-105.41	296.24	5.11	-100.30
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000384111	0	38	-2.0	-94.97	334.33	6.63	-88.34
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000384112	0	29	-2.0	-102.77	283.96	4.10	-98.67
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000384113	0	35	-2.0	-108.43	306.20	5.79	-102.64
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000384114	0	36	-2.0	-94.40	321.83	5.32	-89.08
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=C1	REAL300000384115	0	43	-2.0	-91.14	367.61	6.10	-85.04
CC1=CC=C(O)C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=C1	REAL300000384116	0	29	-2.0	-99.24	300.98	4.83	-94.41
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000384117	0	33	-2.0	-106.52	297.42	4.42	-102.10
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000384118	0	36	-2.0	-109.15	314.55	3.86	-105.29
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=CC=C2O)=C1	REAL300000384119	0	32	-2.0	-99.85	299.88	4.76	-95.09
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000384120	0	38	-2.0	-109.74	322.23	6.32	-103.42
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000384121	0	29	-2.0	-103.90	282.42	4.10	-99.80
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC=C2O)=CC(C(=O)[O-])=C1OC	REAL300000384122	0	40	-2.0	-110.50	349.09	4.86	-105.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2O)C=C1C(=O)[O-]	REAL300000384123	0	36	-2.0	-115.84	318.06	5.11	-110.73
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000384124	0	42	-2.0	-112.70	346.00	7.66	-105.04
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000384125	0	41	-2.0	-110.67	344.68	7.04	-103.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC=C1O	REAL300000384126	0	38	-2.0	-106.70	320.90	6.73	-99.97
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC=C1O	REAL300000384127	0	39	-2.0	-115.38	341.20	5.50	-109.88
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000384128	0	34	-3.0	-185.02	319.17	5.61	-179.41
CC1=CC=C(O)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000384128	1	35	-2.0	-110.91	326.24	3.36	-107.55
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000384129	0	39	-2.0	-113.04	335.01	6.94	-106.10
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000384130	0	32	-2.0	-102.18	293.78	4.19	-97.99
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000384131	0	38	-2.0	-114.78	332.93	4.83	-109.95
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000384132	0	36	-2.0	-110.76	319.69	4.02	-106.74
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000384133	0	40	-2.0	-95.58	343.70	5.64	-89.94
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000384134	0	32	-2.0	-99.30	318.44	5.90	-93.40
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000384135	0	32	-2.0	-101.64	308.36	5.61	-96.03
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000384136	0	36	-2.0	-93.08	337.88	5.86	-87.22
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000384137	0	39	-2.0	-94.93	341.93	6.03	-88.90
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000384138	0	42	-2.0	-93.61	370.52	6.29	-87.32
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000384139	0	35	-2.0	-99.30	311.48	5.82	-93.48
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1	REAL300000384140	0	45	-2.0	-94.72	384.38	6.96	-87.76
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000384141	0	36	-2.0	-94.05	328.07	5.38	-88.67
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)=C1	REAL300000384142	0	42	-2.0	-93.19	380.33	6.77	-86.42
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2O)C=C1C(=O)[O-]	REAL300000384143	0	39	-2.0	-116.67	339.92	6.02	-110.65
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2O)C=C(C(=O)[O-])S1	REAL300000384144	0	32	-2.0	-104.99	300.46	4.93	-100.06
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000384145	0	32	-2.0	-98.81	318.99	6.04	-92.77
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000384146	0	32	-2.0	-93.62	303.82	5.59	-88.03
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=C1	REAL300000384147	0	32	-2.0	-93.16	307.17	5.74	-87.42
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000384148	0	32	-2.0	-95.62	295.28	5.09	-90.53
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000384149	0	29	-2.0	-98.61	283.04	4.20	-94.41
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000384150	0	32	-2.0	-100.49	297.19	5.11	-95.38
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000384151	0	35	-2.0	-108.19	316.51	5.74	-102.45
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000384152	0	36	-2.0	-98.58	331.08	5.64	-92.94
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000384153	0	32	-2.0	-95.48	296.23	5.12	-90.36
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000384154	0	32	-2.0	-93.80	303.25	5.45	-88.35
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000384155	0	35	-2.0	-100.97	320.22	6.21	-94.76
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000384156	0	40	-2.0	-92.25	354.50	6.46	-85.79
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000384157	0	32	-2.0	-93.39	306.99	5.54	-87.85
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000384158	0	32	-2.0	-98.62	301.58	5.14	-93.48
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000384159	0	34	-2.0	-93.24	318.96	5.72	-87.52
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000384160	0	33	-2.0	-107.47	300.47	2.65	-104.82
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000384161	0	35	-2.0	-99.95	312.93	5.82	-94.13
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000384162	0	32	-2.0	-100.13	311.47	5.58	-94.55
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000384163	0	35	-2.0	-104.25	300.80	5.64	-98.61
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000384164	0	35	-2.0	-106.67	315.60	5.70	-100.97
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000384165	0	35	-2.0	-96.67	306.18	5.77	-90.90
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000384166	0	38	-2.0	-111.04	324.23	6.12	-104.92
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000384167	0	34	-2.0	-105.87	317.33	6.13	-99.74
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000384168	0	32	-2.0	-98.15	302.50	5.17	-92.98
CC1=CC=C(O)C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=C1	REAL300000384169	0	29	-2.0	-96.21	303.35	4.78	-91.43
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000384170	0	38	-2.0	-110.10	324.30	6.44	-103.66
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000384171	0	35	-2.0	-107.80	316.09	5.73	-102.07
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000384172	0	35	-2.0	-106.90	322.55	6.16	-100.74
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000384173	0	35	-2.0	-114.96	315.82	5.73	-109.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2O)C=C1C(=O)[O-]	REAL300000384174	0	38	-2.0	-111.88	325.09	6.23	-105.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2O)C=C1CC(=O)[O-]	REAL300000384175	0	39	-2.0	-111.09	341.25	5.17	-105.92
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000384176	0	35	-2.0	-98.81	317.03	6.22	-92.59
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000384177	0	35	-2.0	-92.62	320.88	5.85	-86.77
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000384178	0	35	-2.0	-105.56	321.99	6.00	-99.56
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000384179	0	32	-2.0	-102.53	312.08	5.65	-96.88
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2O)C=C1C(=O)[O-]	REAL300000384180	0	36	-2.0	-107.85	318.72	5.29	-102.56
CC1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000384181	0	44	-2.0	-108.54	355.68	7.79	-100.75
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000384182	0	32	-2.0	-96.00	316.38	5.61	-90.39
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=C1	REAL300000384183	0	36	-2.0	-95.12	335.47	5.22	-89.90
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000384184	0	35	-2.0	-103.16	320.63	6.01	-97.15
CC1=CC=C(O)C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000384185	0	41	-2.0	-104.30	340.21	7.09	-97.21
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2O)C=C1C(=O)[O-]	REAL300000384186	0	36	-2.0	-110.72	331.09	5.65	-105.07
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000384187	0	35	-2.0	-96.64	306.77	5.59	-91.05
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000384188	0	37	-2.0	-99.83	334.02	7.05	-92.78
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000384189	0	35	-2.0	-106.13	310.31	5.87	-100.26
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000384190	0	34	-2.0	-116.96	314.52	6.76	-110.20
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000384191	0	32	-2.0	-114.02	294.40	5.07	-108.95
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000384192	0	35	-2.0	-101.42	311.93	5.62	-95.80
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000384193	0	38	-2.0	-118.57	331.81	7.17	-111.40
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000384194	0	31	-2.0	-107.16	286.98	3.19	-103.97
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC=C1O	REAL300000384195	0	36	-2.0	-100.53	318.97	4.73	-95.80
CC1=CC=C(O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000384196	0	29	-2.0	-97.28	290.87	4.04	-93.24
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000384197	0	36	-2.0	-105.08	334.57	5.60	-99.48
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=C1	REAL300000384198	0	35	-2.0	-100.29	334.09	2.11	-98.18
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000384199	0	39	-2.0	-103.46	336.89	6.92	-96.54
CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000384200	0	39	-2.0	-105.45	334.86	6.91	-98.54
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000384201	0	35	-2.0	-102.05	312.89	5.04	-97.01
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000384202	0	39	-2.0	-88.37	345.72	3.73	-84.64
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000384203	0	32	-2.0	-106.27	293.80	5.18	-101.09
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1O	REAL300000384204	0	40	-2.0	-106.36	348.89	6.12	-100.24
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000384205	0	32	-2.0	-103.47	305.69	5.84	-97.63
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000384206	0	32	-2.0	-95.40	289.24	5.15	-90.25
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000384207	0	32	-2.0	-106.68	289.27	5.13	-101.55
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1O	REAL300000384208	0	36	-2.0	-113.98	317.42	4.83	-109.15
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000384209	0	32	-2.0	-104.29	305.51	5.62	-98.67
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000384210	0	36	-2.0	-94.41	320.72	6.44	-87.97
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)C=C1C(=O)[O-]	REAL300000384211	0	35	-2.0	-109.97	305.28	5.67	-104.30
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000384212	0	32	-2.0	-104.12	302.35	5.70	-98.42
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000384213	0	32	-2.0	-104.68	301.77	5.53	-99.15
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000384214	0	32	-2.0	-98.15	314.83	6.07	-92.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)=C1C	REAL300000384215	0	38	-2.0	-109.64	321.66	6.40	-103.24
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000384216	0	32	-2.0	-105.77	294.75	5.21	-100.56
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000384217	0	38	-2.0	-93.91	332.83	6.73	-87.18
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000384218	0	29	-2.0	-103.20	282.46	4.19	-99.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1O	REAL300000384219	0	35	-2.0	-109.71	304.71	5.89	-103.82
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000384220	0	36	-2.0	-93.34	320.33	5.42	-87.92
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000384221	0	43	-2.0	-89.97	366.10	6.20	-83.77
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000384222	0	29	-2.0	-99.87	299.46	4.92	-94.95
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000384223	0	33	-2.0	-105.40	295.91	4.52	-100.88
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1O	REAL300000384224	1	36	-2.0	-110.05	313.48	3.91	-106.14
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)=C1	REAL300000384225	0	32	-2.0	-98.78	298.37	4.86	-93.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)C=C1C(=O)[O-]	REAL300000384226	0	38	-2.0	-111.06	320.73	6.41	-104.65
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000384227	0	29	-2.0	-104.53	280.92	4.20	-100.33
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)=CC(C(=O)[O-])=C1OC	REAL300000384228	0	40	-2.0	-107.55	347.58	4.96	-102.59
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)C=C1C(=O)[O-]	REAL300000384229	0	36	-2.0	-112.65	316.56	5.21	-107.44
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000384230	0	42	-2.0	-111.80	344.52	7.74	-104.06
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000384231	0	41	-2.0	-111.80	343.17	7.13	-104.67
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1O	REAL300000384232	0	38	-2.0	-107.79	315.80	6.67	-101.12
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1O	REAL300000384233	0	39	-2.0	-113.99	339.71	5.60	-108.39
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000384234	0	34	-3.0	-184.11	317.67	5.71	-178.40
CC1=CC=CC(O)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000384234	1	35	-2.0	-106.74	324.20	4.95	-101.79
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000384235	0	39	-2.0	-114.18	333.51	7.03	-107.15
CC1=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2C)C=C(C(=O)[O-])O1	REAL300000384236	0	32	-2.0	-102.71	292.28	4.29	-98.42
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000384237	0	38	-2.0	-113.80	331.43	4.92	-108.88
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)=C1	REAL300000384238	0	36	-2.0	-107.63	318.24	4.12	-103.51
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000384239	0	40	-2.0	-94.41	342.18	5.74	-88.67
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000384240	0	32	-2.0	-96.70	316.94	6.00	-90.70
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000384241	0	32	-2.0	-100.89	306.87	5.71	-95.18
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000384242	0	36	-2.0	-91.68	336.36	5.96	-85.72
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)=CC=C1OCC(=O)[O-]	REAL300000384243	0	39	-2.0	-93.88	340.42	6.13	-87.75
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000384244	0	42	-2.0	-92.04	369.01	6.39	-85.65
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000384245	0	35	-2.0	-100.19	309.99	5.91	-94.28
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)=CC=C1OCCCC(=O)[O-]	REAL300000384246	0	45	-2.0	-93.64	382.85	7.06	-86.58
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000384247	0	36	-2.0	-92.55	326.56	5.48	-87.07
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000384248	0	42	-2.0	-91.82	378.81	6.87	-84.95
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)C=C1C(=O)[O-]	REAL300000384249	0	39	-2.0	-113.37	338.40	6.13	-107.24
CC1=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2C)C=C(C(=O)[O-])S1	REAL300000384250	0	32	-2.0	-106.09	297.88	5.02	-101.07
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000384251	0	32	-2.0	-97.88	317.50	6.15	-91.73
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000384252	0	32	-2.0	-92.61	302.33	5.69	-86.92
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000384253	0	32	-2.0	-92.08	305.68	5.83	-86.25
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000384254	0	32	-2.0	-95.02	293.80	5.19	-89.83
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000384255	0	29	-2.0	-97.12	281.55	4.31	-92.81
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000384256	0	32	-2.0	-98.00	295.68	5.20	-92.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)=C1F	REAL300000384257	0	35	-2.0	-107.32	315.02	5.84	-101.48
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000384258	0	36	-2.0	-97.27	329.58	5.74	-91.53
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000384259	0	32	-2.0	-94.42	294.74	5.22	-89.20
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000384260	0	32	-2.0	-93.03	301.77	5.55	-87.48
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000384261	0	35	-2.0	-100.20	318.71	6.30	-93.90
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000384262	0	40	-2.0	-91.31	353.01	6.56	-84.75
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000384263	0	32	-2.0	-92.57	305.51	5.65	-86.92
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000384264	0	32	-2.0	-96.17	300.08	5.24	-90.93
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000384265	0	34	-2.0	-92.37	317.45	5.82	-86.55
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000384266	0	33	-2.0	-108.31	298.99	2.75	-105.56
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000384267	0	35	-2.0	-99.08	311.43	5.92	-93.16
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000384268	0	32	-2.0	-97.53	309.97	5.68	-91.85
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000384269	0	35	-2.0	-102.89	299.31	5.74	-97.15
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)=CC(C(=O)[O-])=C1F	REAL300000384270	0	35	-2.0	-107.70	314.10	5.80	-101.90
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1O	REAL300000384271	0	35	-2.0	-95.69	304.69	5.86	-89.83
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)=CC(C(=O)[O-])=C1C	REAL300000384272	0	38	-2.0	-111.37	326.76	6.34	-105.03
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000384273	0	34	-2.0	-107.01	315.84	6.24	-100.77
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000384274	0	32	-2.0	-97.32	301.03	5.27	-92.05
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000384275	0	29	-2.0	-95.22	301.85	4.87	-90.35
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000384276	0	38	-2.0	-107.19	323.75	6.48	-100.71
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)C=C1C(=O)[O-]	REAL300000384277	0	35	-2.0	-106.93	310.75	5.74	-101.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)=C1Cl	REAL300000384278	0	35	-2.0	-106.00	321.05	6.26	-99.74
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)=C1	REAL300000384279	0	35	-2.0	-111.49	314.31	5.84	-105.65
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)C=C1C(=O)[O-]	REAL300000384280	0	38	-2.0	-110.80	323.51	6.32	-104.48
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)C=C1CC(=O)[O-]	REAL300000384281	0	39	-2.0	-109.18	339.73	5.27	-103.91
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000384282	0	35	-2.0	-97.40	319.81	6.35	-91.05
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000384283	0	35	-2.0	-91.99	319.39	5.95	-86.04
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000384284	0	35	-2.0	-106.52	320.49	6.10	-100.42
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000384285	0	32	-2.0	-99.86	310.57	5.75	-94.11
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)C=C1C(=O)[O-]	REAL300000384286	0	36	-2.0	-106.66	317.28	5.40	-101.26
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000384287	0	32	-2.0	-95.21	314.87	5.70	-89.51
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000384288	0	36	-2.0	-94.06	333.98	5.32	-88.74
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000384289	0	35	-2.0	-101.61	323.01	6.21	-95.40
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000384290	0	41	-2.0	-105.60	336.59	7.10	-98.50
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)C=C1C(=O)[O-]	REAL300000384291	0	36	-2.0	-109.84	329.60	5.75	-104.09
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)=CC=C1C(=O)[O-]	REAL300000384292	0	35	-2.0	-95.46	305.27	5.69	-89.77
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000384293	0	37	-2.0	-98.67	332.53	7.14	-91.53
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1O	REAL300000384294	0	35	-2.0	-107.15	309.22	5.91	-101.24
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000384295	0	34	-2.0	-115.39	312.99	6.85	-108.54
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000384296	0	32	-2.0	-112.57	292.92	5.17	-107.40
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000384297	0	35	-2.0	-99.86	314.21	5.82	-94.04
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000384298	0	38	-2.0	-117.43	330.31	7.27	-110.16
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000384299	0	31	-2.0	-105.20	285.47	3.30	-101.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1O	REAL300000384300	0	36	-2.0	-99.40	317.48	4.83	-94.57
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000384301	0	29	-2.0	-96.57	289.43	4.14	-92.43
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000384302	0	36	-2.0	-102.25	333.05	5.70	-96.55
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000384303	0	35	-2.0	-99.21	332.61	2.22	-96.99
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000384304	0	39	-2.0	-102.42	335.39	7.02	-95.40
CC1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000384305	0	39	-2.0	-104.25	334.71	7.03	-97.22
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2O)C=C(C(=O)[O-])O1	REAL300000384306	0	35	-2.0	-102.51	309.38	5.06	-97.45
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1	REAL300000384307	0	36	-2.0	-88.15	339.29	0.84	-87.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC=C1F	REAL300000384308	0	29	-2.0	-103.59	287.38	2.27	-101.32
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1O	REAL300000384309	0	37	-2.0	-106.38	342.45	3.33	-103.05
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384310	0	29	-2.0	-102.90	299.26	2.97	-99.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1	REAL300000384311	0	29	-2.0	-94.53	282.81	2.26	-92.27
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384312	0	29	-2.0	-107.92	282.83	2.25	-105.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1O	REAL300000384313	0	33	-2.0	-113.36	310.97	2.04	-111.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC=C1Br	REAL300000384314	0	29	-2.0	-101.51	299.09	2.73	-98.78
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1	REAL300000384315	0	33	-2.0	-94.14	314.28	3.55	-90.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1C(=O)[O-]	REAL300000384316	0	32	-2.0	-107.12	298.85	2.78	-104.34
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384317	0	29	-2.0	-103.49	295.91	2.82	-100.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC=C1Cl	REAL300000384318	0	29	-2.0	-101.99	295.35	2.64	-99.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C(Cl)C=C1Cl	REAL300000384319	0	29	-2.0	-99.09	308.40	3.20	-95.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1C	REAL300000384320	0	35	-2.0	-111.39	315.50	3.59	-107.80
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384321	0	29	-2.0	-105.12	288.30	2.31	-102.81
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1	REAL300000384322	0	35	-2.0	-93.66	326.42	3.83	-89.83
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384323	0	26	-2.0	-101.93	276.02	1.27	-100.66
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1O	REAL300000384324	0	32	-2.0	-109.21	298.26	3.03	-106.18
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1	REAL300000384325	0	33	-2.0	-92.94	313.90	2.54	-90.40
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC=C3O)C=C2)C1	REAL300000384326	0	40	-2.0	-89.61	359.68	3.30	-86.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C(Br)S1	REAL300000384327	0	26	-2.0	-98.95	293.05	2.04	-96.91
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1C(=O)[O-]	REAL300000384328	0	30	-2.0	-105.82	289.48	1.60	-104.22
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1O	REAL300000384329	0	33	-2.0	-109.94	306.62	1.09	-108.85
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384330	0	29	-2.0	-97.08	291.94	1.93	-95.15
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1C(=O)[O-]	REAL300000384331	0	35	-2.0	-110.54	314.29	3.56	-106.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CS1	REAL300000384332	0	26	-2.0	-102.05	274.50	1.29	-100.76
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC(C(=O)[O-])=C1OC	REAL300000384333	0	37	-2.0	-108.07	341.17	2.06	-106.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1C(=O)[O-]	REAL300000384334	0	33	-2.0	-111.89	310.12	2.32	-109.57
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384335	0	39	-2.0	-113.06	338.07	4.88	-108.18
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1O	REAL300000384336	0	38	-2.0	-111.45	336.74	4.26	-107.19
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1O	REAL300000384337	0	35	-2.0	-107.74	312.96	3.97	-103.77
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1O	REAL300000384338	0	36	-2.0	-113.18	333.26	2.81	-110.37
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384339	0	31	-3.0	-181.41	311.24	2.82	-178.59
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=CC=C2O)=C1	REAL300000384339	1	32	-2.0	-107.47	311.28	2.77	-104.70
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384340	0	36	-2.0	-113.36	327.08	4.15	-109.21
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000384341	0	29	-2.0	-102.00	285.84	1.40	-100.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC2=C1OCCO2	REAL300000384342	0	35	-2.0	-110.93	325.01	2.03	-108.90
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384343	0	33	-2.0	-106.34	311.75	1.34	-105.00
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC=C3O)C=C2C1	REAL300000384344	0	37	-2.0	-93.04	335.76	2.85	-90.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC(Cl)=C1Cl	REAL300000384345	0	29	-2.0	-97.24	310.52	3.09	-94.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C(Cl)C=C1F	REAL300000384346	0	29	-2.0	-100.22	300.42	2.85	-97.37
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1Cl	REAL300000384347	0	33	-2.0	-91.31	329.94	3.07	-88.24
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC=C1OCC(=O)[O-]	REAL300000384348	0	36	-2.0	-93.44	333.99	3.23	-90.21
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1F	REAL300000384349	0	39	-2.0	-92.15	362.58	3.50	-88.65
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1O	REAL300000384350	0	32	-2.0	-99.47	303.54	3.06	-96.41
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC=C1OCCCC(=O)[O-]	REAL300000384351	0	42	-2.0	-93.64	376.44	4.16	-89.48
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1F	REAL300000384352	0	33	-2.0	-92.22	320.14	2.59	-89.63
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1C(=O)[O-]	REAL300000384353	0	36	-2.0	-112.58	331.99	3.23	-109.35
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C(C(=O)[O-])S1	REAL300000384354	0	29	-2.0	-105.48	292.53	2.13	-103.35
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384355	0	29	-2.0	-97.06	311.05	3.27	-93.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C(Cl)=C1	REAL300000384356	0	29	-2.0	-91.86	295.88	2.82	-89.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C(Br)=C1	REAL300000384357	0	29	-2.0	-91.39	299.23	2.96	-88.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1F	REAL300000384358	0	29	-2.0	-93.88	287.36	2.29	-91.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)S1	REAL300000384359	0	26	-2.0	-95.98	275.10	1.37	-94.61
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384360	0	29	-2.0	-97.23	289.25	2.31	-94.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1F	REAL300000384361	0	32	-2.0	-106.31	308.59	2.95	-103.36
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000384362	0	33	-2.0	-96.39	323.14	2.88	-93.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C(F)=C1	REAL300000384363	0	29	-2.0	-93.64	288.30	2.32	-91.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1Cl	REAL300000384364	0	29	-2.0	-91.99	295.33	2.65	-89.34
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1O	REAL300000384365	0	32	-2.0	-101.26	312.28	3.45	-97.81
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1	REAL300000384366	0	37	-2.0	-91.07	346.57	3.66	-87.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1Br	REAL300000384367	0	29	-2.0	-91.60	299.07	2.75	-88.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC(F)=C1F	REAL300000384368	0	29	-2.0	-96.69	293.66	2.34	-94.35
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384369	0	31	-2.0	-91.42	311.03	2.91	-88.51
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384370	0	30	-2.0	-108.18	292.54	-0.04	-108.22
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1	REAL300000384371	0	32	-2.0	-98.49	305.02	3.03	-95.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC(Cl)=C1F	REAL300000384372	0	29	-2.0	-98.16	303.55	2.78	-95.38
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1O	REAL300000384373	0	32	-2.0	-101.87	292.87	2.88	-98.99
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC(C(=O)[O-])=C1F	REAL300000384374	0	32	-2.0	-104.79	307.68	2.89	-101.90
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1O	REAL300000384375	0	32	-2.0	-95.03	298.25	3.03	-92.00
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC(C(=O)[O-])=C1C	REAL300000384376	0	35	-2.0	-110.74	316.30	3.33	-107.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC=C1[N+](=O)[O-]	REAL300000384377	0	31	-2.0	-104.27	309.41	3.33	-100.94
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384378	0	29	-2.0	-96.41	294.59	2.37	-94.04
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)S1	REAL300000384379	0	26	-2.0	-94.19	295.41	1.94	-92.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C(C)=C1C(=O)[O-]	REAL300000384380	0	35	-2.0	-106.39	316.36	3.66	-102.73
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1C(=O)[O-]	REAL300000384381	0	32	-2.0	-107.24	308.15	2.94	-104.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1Cl	REAL300000384382	0	32	-2.0	-105.08	314.59	3.39	-101.69
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384383	0	32	-2.0	-110.07	307.87	2.94	-107.13
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1C(=O)[O-]	REAL300000384384	0	35	-2.0	-107.86	317.16	3.43	-104.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1CC(=O)[O-]	REAL300000384385	0	36	-2.0	-108.49	333.31	2.37	-106.12
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1O	REAL300000384386	0	32	-2.0	-95.43	309.09	3.44	-91.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1C(F)(F)F	REAL300000384387	0	32	-2.0	-90.87	312.96	3.06	-87.81
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000384388	0	32	-2.0	-103.71	314.06	3.20	-100.51
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384389	0	29	-2.0	-99.07	304.13	2.86	-96.21
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1C(=O)[O-]	REAL300000384390	0	33	-2.0	-105.74	310.79	2.45	-103.29
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C(C)=C1CC(=O)[O-]	REAL300000384391	0	41	-2.0	-105.80	347.98	5.12	-100.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C(F)C(Cl)=C1F	REAL300000384392	0	29	-2.0	-95.17	308.45	2.81	-92.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C(OC(F)(F)F)=C1	REAL300000384393	0	33	-2.0	-93.26	327.54	2.54	-90.72
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1C(=O)[O-]	REAL300000384394	0	32	-2.0	-102.04	316.60	3.31	-98.73
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C(C(=O)[O-])S1	REAL300000384395	0	38	-2.0	-105.34	332.28	4.38	-100.96
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1C(=O)[O-]	REAL300000384396	0	33	-2.0	-108.98	323.15	2.89	-106.09
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000384397	0	32	-2.0	-94.67	298.84	2.79	-91.88
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C([N+](=O)[O-])=C1	REAL300000384398	0	34	-2.0	-98.49	326.09	4.45	-94.04
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1O	REAL300000384399	0	32	-2.0	-106.92	302.37	3.09	-103.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1[N+](=O)[O-]	REAL300000384400	0	31	-2.0	-112.06	306.56	4.10	-107.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1F	REAL300000384401	0	29	-2.0	-109.49	286.46	2.28	-107.21
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C1C(=O)[O-]	REAL300000384402	0	32	-2.0	-100.17	307.79	2.92	-97.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC2=CC=CC=C21	REAL300000384403	0	35	-2.0	-114.20	323.87	4.37	-109.83
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384404	0	28	-2.0	-104.25	279.05	0.37	-103.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1O	REAL300000384405	0	33	-2.0	-98.77	311.04	2.05	-96.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C(Cl)O1	REAL300000384406	0	26	-2.0	-95.31	282.94	1.22	-94.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=CC=C1OC(F)(F)F	REAL300000384407	0	33	-2.0	-101.37	326.63	2.80	-98.57
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)=C1	REAL300000384408	0	32	-2.0	-97.81	326.18	-0.72	-98.53
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC=C3O)C=C2)CC1	REAL300000384409	0	36	-2.0	-101.76	328.96	4.13	-97.63
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC=C3O)C=C2C1	REAL300000384410	0	36	-2.0	-96.32	327.92	4.13	-92.19
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000384411	0	32	-2.0	-101.92	304.95	2.24	-99.68
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2N1	REAL300000384417	0	43	-2.0	-110.39	383.33	6.76	-103.63
CCCCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2N1	REAL300000384417	1	43	-2.0	-106.88	383.24	6.76	-100.12
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2N1	REAL300000384418	0	40	-2.0	-108.09	371.03	5.71	-102.38
CCCCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2N1	REAL300000384418	1	40	-2.0	-103.78	370.94	5.72	-98.06
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000384420	0	44	-2.0	-112.39	384.50	6.05	-106.34
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC=C2N1	REAL300000384421	0	43	-2.0	-104.20	386.98	6.38	-97.82
CCCCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2N1	REAL300000384421	1	43	-2.0	-100.02	386.87	6.40	-93.62
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2N1	REAL300000384422	0	40	-2.0	-109.45	369.50	5.73	-103.72
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000384423	0	43	-2.0	-107.03	380.86	5.84	-101.19
CCCCC1=NC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2N1	REAL300000384423	1	43	-2.0	-103.56	380.76	5.84	-97.72
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C2N1	REAL300000384424	0	43	-2.0	-110.09	387.54	6.59	-103.50
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2N1	REAL300000384426	0	40	-2.0	-102.98	370.12	5.82	-97.16
CCCCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2N1	REAL300000384426	1	40	-2.0	-98.86	370.02	5.83	-93.03
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000384427	1	43	-2.0	-104.73	384.26	6.76	-97.97
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2N1	REAL300000384428	0	43	-2.0	-100.92	383.31	6.77	-94.15
CCCCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2N1	REAL300000384428	1	43	-2.0	-96.49	383.21	6.78	-89.71
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2N1	REAL300000384429	0	44	-2.0	-112.16	387.57	4.40	-107.76
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=CN(CC)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000384433	0	47	-2.0	-113.72	405.87	6.92	-106.80
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2N1	REAL300000384435	0	43	-2.0	-118.99	381.51	6.73	-112.26
CCCCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2N1	REAL300000384435	1	43	-2.0	-113.49	381.42	6.73	-106.76
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2N1	REAL300000384436	0	42	-2.0	-109.78	374.84	4.76	-105.02
CCCCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2N1	REAL300000384436	1	42	-2.0	-107.06	373.98	4.83	-102.23
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000384437	0	40	-2.0	-101.21	378.00	5.67	-95.54
CCCCC1=NC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2N1	REAL300000384437	1	40	-2.0	-97.45	377.90	5.69	-91.76
CCCCC1=NC2=CC([N-]S(=O)(=O)C3=C(CC)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000384438	0	46	-2.0	-106.72	399.99	6.69	-100.03
CCCCC1=NC2=CC=C([N-]S(=O)(=O)C3=C(CC)OC(C(=O)[O-])=C3)C=C2N1	REAL300000384438	1	46	-2.0	-103.59	399.89	6.69	-96.90
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)S1	REAL300000384439	0	37	-2.0	-85.80	353.46	2.19	-83.61
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000384440	0	30	-2.0	-101.22	301.54	3.63	-97.59
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N=C(C)S1	REAL300000384441	0	38	-2.0	-102.58	356.62	4.70	-97.88
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)S1	REAL300000384442	0	30	-2.0	-98.45	313.42	4.32	-94.13
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300000384443	0	30	-2.0	-91.38	296.98	3.61	-87.77
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)S1	REAL300000384444	0	30	-2.0	-103.49	297.00	3.60	-99.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N=C(C)S1	REAL300000384445	0	34	-2.0	-108.50	325.14	3.40	-105.10
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)S1	REAL300000384446	0	30	-2.0	-99.03	313.25	4.09	-94.94
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)S1	REAL300000384447	0	34	-2.0	-91.63	328.45	4.90	-86.73
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000384448	0	33	-2.0	-104.48	313.01	4.14	-100.34
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)S1	REAL300000384449	0	30	-2.0	-99.03	310.07	4.16	-94.87
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000384450	0	30	-2.0	-99.47	309.51	4.00	-95.47
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)S1	REAL300000384451	0	30	-2.0	-94.82	322.56	4.55	-90.27
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)S1	REAL300000384452	0	36	-2.0	-106.35	329.66	4.94	-101.41
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000384453	0	30	-2.0	-100.51	302.46	3.67	-96.84
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)S1	REAL300000384454	0	36	-2.0	-90.71	340.57	5.18	-85.53
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)S1	REAL300000384455	0	27	-2.0	-98.00	290.19	2.62	-95.38
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)S1	REAL300000384456	0	33	-2.0	-104.35	312.43	4.38	-99.97
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)S1	REAL300000384457	0	34	-2.0	-90.23	328.06	3.88	-86.35
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)S1	REAL300000384458	0	41	-2.0	-86.89	373.84	4.66	-82.23
CC1=NC(C)=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)S1	REAL300000384459	0	27	-2.0	-94.92	307.21	3.39	-91.53
CC1=NC(C)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)S1	REAL300000384460	0	31	-2.0	-101.79	303.65	2.95	-98.84
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)S1	REAL300000384461	0	34	-2.0	-105.08	320.78	2.43	-102.65
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)S1	REAL300000384462	0	30	-2.0	-93.96	306.10	3.28	-90.68
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)S1	REAL300000384463	0	36	-2.0	-105.44	328.45	4.92	-100.52
CC1=NC(C)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)S1	REAL300000384464	0	27	-2.0	-99.48	288.65	2.63	-96.85
COC1=CC(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)=CC(C(=O)[O-])=C1OC	REAL300000384465	0	38	-2.0	-103.79	355.33	3.41	-100.38
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)C=C1C(=O)[O-]	REAL300000384466	0	34	-2.0	-109.34	324.30	3.67	-105.67
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)S1	REAL300000384467	0	40	-2.0	-107.88	352.23	6.23	-101.65
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)S1	REAL300000384468	0	39	-2.0	-106.39	350.90	5.59	-100.80
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N=C(C)S1	REAL300000384469	0	36	-2.0	-102.92	327.12	5.33	-97.59
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N=C(C)S1	REAL300000384470	0	37	-2.0	-108.35	347.43	4.16	-104.19
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)S1	REAL300000384471	0	32	-3.0	-176.87	325.40	4.17	-172.70
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)S1	REAL300000384472	0	37	-2.0	-108.15	341.23	5.50	-102.65
CC1=NC(C)=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)S1	REAL300000384473	0	30	-2.0	-97.42	300.00	2.74	-94.68
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000384474	0	36	-2.0	-108.14	339.17	3.37	-104.77
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)S1	REAL300000384475	0	34	-2.0	-104.47	325.91	2.70	-101.77
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)S1	REAL300000384476	0	38	-2.0	-90.72	349.92	4.20	-86.52
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000384477	0	30	-2.0	-93.35	324.68	4.45	-88.90
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)S1	REAL300000384478	0	30	-2.0	-96.00	314.59	4.20	-91.80
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)S1	REAL300000384479	0	34	-2.0	-88.92	344.10	4.42	-84.50
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)S1	REAL300000384480	0	37	-2.0	-90.66	348.15	4.58	-86.08
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)S1	REAL300000384481	0	40	-2.0	-90.08	376.74	4.84	-85.24
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)S1	REAL300000384482	0	33	-2.0	-95.15	317.71	4.42	-90.73
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)S1	REAL300000384483	0	43	-2.0	-91.09	390.61	5.51	-85.58
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)S1	REAL300000384484	0	34	-2.0	-89.96	334.30	3.94	-86.02
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)C=C1C(=O)[O-]	REAL300000384485	0	37	-2.0	-109.98	346.15	4.58	-105.40
CC1=NC(C)=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)S1	REAL300000384486	0	30	-2.0	-100.70	306.69	3.49	-97.21
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)S1	REAL300000384487	0	30	-2.0	-92.97	325.22	4.61	-88.36
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)S1	REAL300000384488	0	30	-2.0	-89.06	310.04	4.16	-84.90
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)S1	REAL300000384489	0	30	-2.0	-88.61	313.39	4.30	-84.31
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000384490	0	30	-2.0	-91.04	301.52	3.64	-87.40
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)S1	REAL300000384491	0	27	-2.0	-93.03	289.26	2.72	-90.31
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000384492	0	30	-2.0	-94.56	303.41	3.66	-90.90
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)S1	REAL300000384493	0	33	-2.0	-101.77	322.75	4.31	-97.46
COC1=CC(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)=C(Cl)C=C1C(=O)[O-]	REAL300000384494	0	34	-2.0	-93.65	337.30	4.22	-89.43
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000384495	0	30	-2.0	-90.71	302.45	3.67	-87.04
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000384496	0	30	-2.0	-89.03	309.49	4.00	-85.03
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)S1	REAL300000384497	0	33	-2.0	-96.80	326.44	4.80	-92.00
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)S1	REAL300000384498	0	38	-2.0	-88.71	360.73	5.01	-83.70
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)S1	REAL300000384499	0	30	-2.0	-88.63	313.23	4.10	-84.53
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)S1	REAL300000384500	0	30	-2.0	-93.00	307.82	3.70	-89.30
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)S1	REAL300000384501	0	32	-2.0	-88.99	325.19	4.26	-84.73
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)S1	REAL300000384502	0	31	-2.0	-103.14	306.70	1.33	-101.81
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)S1	REAL300000384503	0	33	-2.0	-94.92	319.18	4.38	-90.54
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)S1	REAL300000384504	0	30	-2.0	-94.30	317.71	4.13	-90.17
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000384505	0	33	-2.0	-99.82	307.03	4.24	-95.58
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)S1	REAL300000384506	0	33	-2.0	-102.40	321.83	4.25	-98.15
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000384507	0	33	-2.0	-91.64	312.41	4.37	-87.27
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)S1	REAL300000384508	0	36	-2.0	-106.24	330.46	4.68	-101.56
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)S1	REAL300000384509	0	32	-2.0	-102.41	323.57	4.69	-97.72
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)S1	REAL300000384510	0	30	-2.0	-92.36	308.75	3.73	-88.63
CC1=NC(C)=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)S1	REAL300000384511	0	27	-2.0	-91.03	309.58	3.28	-87.75
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000384512	0	36	-2.0	-104.20	330.53	5.00	-99.20
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)S1	REAL300000384513	0	33	-2.0	-102.69	322.31	4.30	-98.39
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)S1	REAL300000384514	0	33	-2.0	-100.65	328.76	4.74	-95.91
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)S1	REAL300000384515	0	33	-2.0	-108.13	322.04	4.29	-103.84
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)C=C1C(=O)[O-]	REAL300000384516	0	36	-2.0	-105.19	331.32	4.79	-100.40
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)C=C1CC(=O)[O-]	REAL300000384517	0	37	-2.0	-105.19	347.47	3.72	-101.47
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)S1	REAL300000384518	0	33	-2.0	-93.20	323.26	4.79	-88.41
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)S1	REAL300000384519	0	33	-2.0	-88.17	327.12	4.41	-83.76
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000384520	0	33	-2.0	-101.06	328.23	4.56	-96.50
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)S1	REAL300000384521	0	30	-2.0	-96.30	318.30	4.21	-92.09
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)C=C1C(=O)[O-]	REAL300000384522	0	34	-2.0	-102.88	324.95	3.80	-99.08
CC1=NC(C)=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)S1	REAL300000384523	0	42	-2.0	-104.21	362.14	6.46	-97.75
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)S1	REAL300000384524	0	30	-2.0	-91.29	322.61	4.16	-87.13
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)S1	REAL300000384525	0	34	-2.0	-90.48	341.70	3.90	-86.58
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)S1	REAL300000384526	0	33	-2.0	-98.00	330.77	4.67	-93.33
CC1=NC(C)=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)S1	REAL300000384527	0	39	-2.0	-100.76	346.44	5.73	-95.03
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)C=C1C(=O)[O-]	REAL300000384528	0	34	-2.0	-104.58	337.32	4.23	-100.35
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000384529	0	33	-2.0	-91.39	313.00	4.15	-87.24
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300000384530	0	35	-2.0	-95.98	340.28	5.79	-90.19
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)S1	REAL300000384531	0	33	-2.0	-102.26	316.53	4.43	-97.83
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])S1	REAL300000384532	0	32	-2.0	-110.88	320.73	5.47	-105.41
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000384533	0	30	-2.0	-107.54	300.63	3.63	-103.91
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)S1	REAL300000384534	0	33	-2.0	-96.24	321.95	4.27	-91.97
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)S1	REAL300000384535	0	36	-2.0	-111.59	338.04	5.72	-105.87
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)S1	REAL300000384536	0	29	-2.0	-100.63	293.98	1.66	-98.97
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)N=C(C)S1	REAL300000384537	0	34	-2.0	-95.30	325.20	3.41	-91.89
CC1=NC(C)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)S1	REAL300000384538	0	27	-2.0	-91.54	297.09	2.58	-88.96
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300000384539	0	34	-2.0	-98.98	340.79	4.15	-94.83
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)S1	REAL300000384540	0	33	-2.0	-94.73	340.35	0.63	-94.10
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)S1	REAL300000384541	0	37	-2.0	-98.00	343.13	5.48	-92.52
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)S1	REAL300000384542	0	37	-2.0	-100.80	341.08	5.46	-95.34
CCC1=C(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)C=C(C(=O)[O-])O1	REAL300000384543	0	33	-2.0	-97.30	319.12	3.59	-93.71
O=C([O-])C1=CC(S(=O)(=O)N2CCCC3=C(F)C=CC=C32)=CC(C(=O)[O-])=C1	REAL300000384571	0	38	-2.0	-107.73	335.60	8.04	-99.69
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=C(F)C=CC=C32)=C1	REAL300000384596	0	36	-2.0	-105.16	317.56	6.28	-98.88
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000384631	0	41	-2.0	-104.38	365.45	4.07	-100.31
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000384632	0	41	-2.0	-94.99	362.69	4.04	-90.95
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000384633	0	41	-2.0	-106.51	362.71	4.03	-102.48
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1C	REAL300000384634	0	45	-2.0	-112.08	390.03	3.76	-108.32
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C	REAL300000384635	0	45	-2.0	-94.02	394.16	5.33	-88.69
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000384636	0	44	-2.0	-107.71	377.49	4.60	-103.11
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C	REAL300000384637	0	41	-2.0	-102.45	375.20	4.61	-97.84
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000384638	0	41	-2.0	-102.60	373.42	4.43	-98.17
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C	REAL300000384639	0	47	-2.0	-109.73	393.80	5.33	-104.40
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000384640	0	41	-2.0	-104.80	368.20	3.92	-100.88
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300000384641	0	47	-2.0	-93.29	406.29	5.60	-87.69
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000384642	0	38	-2.0	-101.50	355.07	3.02	-98.48
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000384643	0	44	-2.0	-107.88	376.34	4.80	-103.08
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C	REAL300000384644	0	45	-2.0	-92.75	393.78	4.32	-88.43
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000384645	0	42	-2.0	-105.48	368.53	3.36	-102.12
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1C	REAL300000384646	0	45	-2.0	-108.55	386.69	2.82	-105.73
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000384647	0	41	-2.0	-97.82	371.83	3.72	-94.10
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1C	REAL300000384648	0	47	-2.0	-109.34	392.41	5.36	-103.98
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000384649	0	38	-2.0	-102.65	353.13	3.04	-99.61
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1C	REAL300000384650	0	45	-2.0	-112.50	390.00	4.11	-108.39
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C	REAL300000384651	0	50	-2.0	-109.70	414.73	6.04	-103.66
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(CCOC)N=C1C	REAL300000384652	0	47	-2.0	-105.81	392.47	5.76	-100.05
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1C	REAL300000384653	0	48	-2.0	-111.38	412.32	4.52	-106.86
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000384654	0	43	-3.0	-182.18	390.02	4.53	-177.65
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C	REAL300000384655	0	48	-2.0	-112.07	405.22	5.91	-106.16
COCCN1N=C(C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000384656	0	41	-2.0	-101.25	367.54	3.13	-98.12
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C	REAL300000384657	0	45	-2.0	-108.28	390.57	2.92	-105.36
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1C	REAL300000384658	0	48	-2.0	-93.25	413.86	5.02	-88.23
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C	REAL300000384659	0	44	-2.0	-98.92	381.61	4.85	-94.07
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(CCOC)N=C2C)C=C1C(=O)[O-]	REAL300000384660	0	48	-2.0	-113.21	410.05	5.02	-108.19
COCCN1N=C(C)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000384661	0	41	-2.0	-104.48	371.39	3.90	-100.58
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000384662	0	41	-2.0	-92.49	374.69	4.57	-87.92
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000384663	0	41	-2.0	-94.69	367.24	4.07	-90.62
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000384664	0	38	-2.0	-96.65	354.97	3.16	-93.49
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000384665	0	41	-2.0	-98.47	368.65	3.88	-94.59
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C	REAL300000384666	0	44	-2.0	-105.59	387.66	4.70	-100.89
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000384667	0	41	-2.0	-94.10	367.34	4.07	-90.03
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000384668	0	41	-2.0	-92.63	375.21	4.43	-88.20
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000384669	0	41	-2.0	-97.14	373.07	3.90	-93.24
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C	REAL300000384670	0	43	-2.0	-92.87	390.44	4.48	-88.39
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000384671	0	42	-2.0	-106.65	371.61	1.67	-104.98
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000384672	0	44	-2.0	-98.43	384.89	4.80	-93.63
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000384673	0	44	-2.0	-103.63	375.12	4.74	-98.89
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000384674	0	44	-2.0	-106.18	386.72	4.65	-101.53
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1C	REAL300000384675	0	44	-2.0	-95.14	376.31	4.80	-90.34
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000384676	0	47	-2.0	-109.77	394.19	5.08	-104.69
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300000384677	0	43	-2.0	-105.77	389.32	5.12	-100.65
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C	REAL300000384678	0	41	-2.0	-96.91	373.68	3.95	-92.96
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C	REAL300000384679	0	47	-2.0	-107.15	395.36	5.41	-101.74
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C	REAL300000384680	0	44	-2.0	-106.43	386.67	4.72	-101.71
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C	REAL300000384681	0	44	-2.0	-111.75	386.96	4.51	-107.24
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(CCOC)N=C2C)C=C1C(=O)[O-]	REAL300000384682	0	47	-2.0	-108.59	396.65	5.23	-103.36
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1C	REAL300000384683	0	48	-2.0	-108.32	413.17	4.16	-104.16
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(CCOC)N=C2C)C=C1C(=O)[O-]	REAL300000384684	0	45	-2.0	-106.81	389.83	4.20	-102.61
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000384685	0	44	-2.0	-96.62	381.81	4.70	-91.92
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1C	REAL300000384686	0	44	-2.0	-105.82	382.43	4.82	-101.00
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C	REAL300000384687	0	43	-2.0	-112.99	385.43	5.81	-107.18
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000384688	0	41	-2.0	-110.31	365.53	4.02	-106.29
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000384689	0	44	-2.0	-98.52	382.54	4.59	-93.93
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000384690	0	40	-2.0	-105.30	358.44	1.94	-103.36
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1C	REAL300000384691	0	45	-2.0	-98.74	390.08	3.77	-94.97
COCCN1N=C(C)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C	REAL300000384692	0	38	-2.0	-95.49	361.06	3.02	-92.47
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C	REAL300000384693	0	48	-2.0	-101.99	410.08	5.68	-96.31
COCCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C	REAL300000384694	0	48	-2.0	-103.43	405.70	5.84	-97.59
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(CCOC)N=C2C)C=C(C(=O)[O-])O1	REAL300000384695	0	44	-2.0	-101.99	383.06	4.04	-97.95
CCOC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000384696	0	45	-2.0	-96.56	388.81	5.17	-91.39
CCOC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000384697	0	45	-2.0	-130.59	387.35	5.09	-125.50
CCOC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000384698	0	42	-2.0	-120.60	382.04	4.14	-116.46
CCOC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000384699	0	46	-2.0	-129.13	392.60	4.32	-124.81
CCOC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000384700	0	42	-2.0	-121.80	380.54	4.16	-117.64
CCOC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000384701	0	45	-2.0	-124.42	388.95	4.12	-120.30
CCOC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000384702	0	42	-2.0	-115.62	380.76	4.27	-111.35
CCOC1=CC=C(C(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000384703	0	44	-2.0	-125.37	385.81	3.19	-122.18
CC1=NN(CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)C(C)=N1	REAL300000384704	1	43	-2.0	-105.33	385.84	7.78	-97.55
CC1=NN(CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=N1	REAL300000384705	1	43	-2.0	-119.08	385.86	7.77	-111.31
CC1=NN(CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)C(C)=N1	REAL300000384706	0	40	-2.0	-112.95	379.04	6.79	-106.16
CC1=NN(CC2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)C(C)=N1	REAL300000384707	1	44	-2.0	-117.21	392.50	7.11	-110.10
CC1=NN(CC2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)C(C)=N1	REAL300000384708	0	40	-2.0	-114.49	377.50	6.80	-107.69
CC1=NN(CC2=CC=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)C(C)=N1	REAL300000384709	0	43	-2.0	-111.94	388.86	6.90	-105.04
CC1=NN(CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)C(C)=N1	REAL300000384710	0	40	-2.0	-99.60	378.14	6.89	-92.71
CC1=NN(CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)C(C)=N1	REAL300000384711	0	42	-2.0	-108.26	382.85	5.82	-102.44
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384712	1	43	-2.0	-130.56	370.78	7.87	-122.69
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384713	1	40	-2.0	-133.42	355.37	7.09	-126.33
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1	REAL300000384716	0	34	-2.0	-137.93	309.07	6.71	-131.22
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000384717	0	37	-2.0	-101.17	332.75	6.10	-95.07
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000384718	0	33	-2.0	-118.52	312.46	5.06	-113.46
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C1	REAL300000384719	1	35	-2.0	-124.44	321.39	6.83	-117.61
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000384721	0	34	-2.0	-126.41	322.79	7.02	-119.39
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C#N)=C1	REAL300000384722	0	35	-2.0	-137.13	318.66	6.72	-130.41
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Br)C(C)=C2)=C1	REAL300000384723	1	37	-2.0	-124.14	340.08	7.62	-116.52
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1	REAL300000384724	0	34	-2.0	-127.95	317.05	7.13	-120.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1NC(C)=O	REAL300000384725	1	45	-2.0	-143.17	385.09	4.73	-138.44
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300000384726	1	38	-2.0	-121.02	346.57	6.23	-114.79
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000384727	0	37	-2.0	-117.62	332.25	6.98	-110.64
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000384727	1	36	-3.0	-203.68	333.59	7.02	-196.66
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000384729	0	38	-2.0	-124.79	350.13	8.52	-116.27
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1	REAL300000384730	1	43	-2.0	-130.72	363.42	6.38	-124.34
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300000384731	1	39	-2.0	-127.24	344.69	7.62	-119.62
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Br)S2)=C1	REAL300000384732	0	31	-2.0	-121.26	314.17	6.16	-115.10
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000384734	1	50	-2.0	-129.88	402.46	10.24	-119.64
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300000384735	1	37	-2.0	-120.45	339.29	7.44	-113.01
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1	REAL300000384736	1	44	-2.0	-133.60	363.31	8.92	-124.68
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000384737	0	37	-2.0	-101.54	327.61	6.95	-94.59
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000384737	1	36	-3.0	-191.46	329.03	7.00	-184.46
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384738	0	42	-2.0	-137.97	358.30	5.51	-132.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1OC	REAL300000384739	1	42	-2.0	-128.46	359.33	5.64	-122.82
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1	REAL300000384740	1	41	-2.0	-133.66	346.12	8.35	-125.31
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384741	0	36	-2.0	-118.92	315.51	5.36	-113.56
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1	REAL300000384742	1	34	-2.0	-119.31	332.51	7.41	-111.90
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000384743	0	37	-2.0	-118.33	327.73	6.95	-111.38
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000384743	1	36	-3.0	-207.99	329.05	6.99	-201.00
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300000384744	1	34	-2.0	-117.81	313.30	6.56	-111.25
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1	REAL300000384745	0	34	-2.0	-123.32	330.43	7.52	-115.80
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300000384746	1	37	-2.0	-125.02	339.66	7.45	-117.57
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384747	1	37	-2.0	-131.51	322.01	7.10	-124.41
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1	REAL300000384749	0	37	-2.0	-131.05	325.81	7.80	-123.25
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300000384750	1	34	-2.0	-125.75	317.32	6.95	-118.80
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384751	1	39	-2.0	-128.15	343.33	6.92	-121.23
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384752	1	40	-2.0	-130.36	337.46	7.88	-122.48
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)=C1	REAL300000384753	1	40	-2.0	-132.94	339.01	7.64	-125.30
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1	REAL300000384754	1	34	-2.0	-118.14	323.19	7.00	-111.14
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384755	1	39	-2.0	-140.42	341.08	6.82	-133.60
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384757	1	43	-2.0	-123.51	377.21	8.03	-115.48
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1	REAL300000384758	0	34	-2.0	-126.51	328.89	7.45	-119.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000384759	1	40	-2.0	-125.71	356.11	7.18	-118.53
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300000384760	1	46	-2.0	-130.71	376.80	8.76	-121.95
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)C)C=C2)=C1	REAL300000384761	1	43	-2.0	-130.46	360.83	8.37	-122.09
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384762	1	46	-2.0	-129.99	379.27	9.03	-120.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384763	0	40	-3.0	-209.97	357.17	6.79	-203.18
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384763	1	41	-2.0	-105.93	354.10	6.25	-99.68
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000384764	0	41	-2.0	-99.23	358.57	8.21	-91.02
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000384764	1	40	-3.0	-188.59	360.50	8.29	-180.30
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300000384765	0	31	-2.0	-120.86	309.54	6.05	-114.81
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384766	1	43	-2.0	-129.97	364.98	8.66	-121.31
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384767	0	38	-2.0	-136.93	328.82	6.22	-130.71
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000384768	0	40	-2.0	-121.37	346.47	7.55	-113.82
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000384768	1	39	-3.0	-210.59	344.99	7.52	-203.07
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384769	0	45	-2.0	-151.56	385.00	5.11	-146.45
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1	REAL300000384770	0	34	-2.0	-124.26	318.63	6.62	-117.64
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1	REAL300000384771	1	34	-2.0	-119.90	334.05	7.46	-112.44
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1	REAL300000384772	0	34	-2.0	-129.58	313.70	7.00	-122.58
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1	REAL300000384773	1	34	-2.0	-125.70	321.88	7.06	-118.64
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300000384774	0	36	-2.0	-125.54	328.81	7.11	-118.43
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)=C1	REAL300000384775	1	39	-2.0	-122.02	344.28	7.87	-114.15
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=C1	REAL300000384776	1	36	-2.0	-118.73	341.27	7.49	-111.24
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000384777	0	31	-2.0	-127.53	292.49	5.44	-122.09
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300000384779	0	36	-2.0	-142.44	321.90	7.86	-134.58
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000384780	0	36	-3.0	-198.08	342.10	7.56	-190.52
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000384780	1	37	-2.0	-98.40	338.67	7.14	-91.26
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000384781	0	37	-2.0	-115.01	340.22	7.34	-107.67
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000384781	1	36	-3.0	-203.12	341.57	7.39	-195.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384782	1	37	-2.0	-130.74	322.00	7.11	-123.63
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1	REAL300000384784	0	34	-2.0	-125.24	312.46	6.55	-118.69
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300000384785	1	34	-2.0	-126.07	306.99	6.50	-119.57
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1	REAL300000384786	0	34	-2.0	-119.16	313.40	6.57	-112.59
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)=C1	REAL300000384787	1	46	-2.0	-131.55	363.87	9.11	-122.44
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300000384788	1	40	-2.0	-135.49	352.05	5.60	-129.89
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)=C1	REAL300000384790	1	49	-2.0	-132.02	392.26	9.54	-122.48
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300000384791	1	34	-2.0	-122.42	317.31	6.95	-115.47
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1	REAL300000384792	1	34	-2.0	-122.52	321.88	7.06	-115.46
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300000384793	0	36	-2.0	-115.68	328.82	7.11	-108.57
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000384794	1	34	-2.0	-130.37	300.56	6.43	-123.94
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384795	1	41	-2.0	-134.94	357.04	5.31	-129.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000384796	0	34	-2.0	-129.04	314.39	6.23	-122.81
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000384797	0	43	-2.0	-99.31	359.45	8.30	-91.01
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000384797	1	42	-3.0	-205.58	361.42	8.31	-197.27
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384798	0	38	-2.0	-128.85	345.55	6.75	-122.10
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Br)=CC=C2C)=C1	REAL300000384799	1	37	-2.0	-124.12	337.34	7.83	-116.29
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=C1	REAL300000384800	0	36	-2.0	-131.65	335.74	8.33	-123.32
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000384801	0	36	-3.0	-202.19	334.49	7.05	-195.14
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1	REAL300000384802	0	31	-2.0	-123.25	330.42	6.60	-116.65
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCC(C)C)C=C2)=C1	REAL300000384803	1	49	-2.0	-129.63	404.05	9.94	-119.69
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=C1	REAL300000384804	1	39	-2.0	-125.04	338.62	7.70	-117.34
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1	REAL300000384805	0	34	-2.0	-128.34	312.46	6.56	-121.78
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000384806	0	43	-2.0	-98.45	370.77	8.51	-89.94
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000384806	1	42	-3.0	-187.74	372.62	8.58	-179.16
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384807	1	44	-2.0	-134.55	377.33	6.14	-128.41
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1	REAL300000384808	1	38	-2.0	-123.15	336.31	3.25	-119.90
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384809	1	38	-2.0	-127.91	340.78	7.46	-120.45
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1	REAL300000384810	1	39	-2.0	-124.96	342.61	4.90	-120.06
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000384811	1	42	-2.0	-126.21	360.42	5.62	-120.59
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1OCC	REAL300000384812	1	48	-2.0	-129.17	403.03	7.48	-121.69
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000384814	0	33	-3.0	-200.28	322.21	6.01	-194.27
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1	REAL300000384815	1	37	-2.0	-122.50	332.34	3.94	-118.56
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000384817	0	40	-2.0	-98.04	342.17	7.74	-90.30
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000384817	1	39	-3.0	-203.03	344.46	7.79	-195.24
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384818	0	40	-2.0	-127.70	338.18	5.51	-122.19
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384819	1	42	-2.0	-136.12	377.20	2.61	-133.51
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)=C1	REAL300000384820	1	42	-2.0	-122.40	361.28	8.41	-113.99
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384821	1	40	-2.0	-123.94	355.35	7.10	-116.84
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384822	1	41	-2.0	-128.35	357.02	4.71	-123.64
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)=C1	REAL300000384823	1	39	-2.0	-131.03	354.82	1.39	-129.64
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)=C1	REAL300000384824	1	45	-2.0	-137.51	377.91	7.56	-129.95
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=C1	REAL300000384825	1	38	-2.0	-128.01	335.09	3.22	-124.79
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC(C)=CC(C)=C3C(=O)[O-])=CC=C21	REAL300000384826	1	45	-2.0	-139.91	381.18	7.56	-132.35
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384827	1	40	-2.0	-130.39	343.48	7.88	-122.51
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300000384828	1	40	-2.0	-134.80	346.54	8.71	-126.09
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=CS1	REAL300000384829	0	37	-2.0	-139.05	340.15	6.74	-132.31
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384830	1	44	-2.0	-128.86	377.15	6.95	-121.91
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000384831	0	41	-2.0	-99.06	358.25	7.21	-91.85
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=C1	REAL300000384833	1	45	-2.0	-133.37	384.82	10.55	-122.82
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC(C)C)C=C2)=C1	REAL300000384834	1	46	-2.0	-130.24	381.74	9.12	-121.12
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1	REAL300000384835	1	34	-2.0	-121.29	306.99	6.50	-114.79
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2F)=C1	REAL300000384836	0	34	-2.0	-135.37	306.06	6.48	-128.89
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)=C1	REAL300000384837	0	39	-2.0	-123.57	355.69	5.44	-118.13
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C1	REAL300000384838	1	39	-2.0	-124.50	342.94	6.94	-117.56
CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384839	0	42	-2.0	-148.67	361.91	7.70	-140.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(Cl)=C1	REAL300000384841	0	37	-2.0	-129.69	335.11	7.66	-122.03
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1	REAL300000384842	0	38	-2.0	-132.07	345.32	6.71	-125.36
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=C1	REAL300000384843	1	40	-2.0	-125.47	351.33	3.66	-121.81
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)=C1	REAL300000384844	1	39	-2.0	-134.78	354.82	1.39	-133.39
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)=C1	REAL300000384845	1	42	-2.0	-125.47	363.42	6.86	-118.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000384846	0	40	-2.0	-137.62	348.44	7.10	-130.52
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)=C1	REAL300000384847	1	40	-2.0	-122.03	357.15	3.43	-118.60
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)=C1	REAL300000384848	1	41	-2.0	-122.29	366.43	5.70	-116.59
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000384849	1	39	-2.0	-121.27	348.29	7.93	-113.34
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)=C1	REAL300000384850	1	40	-2.0	-124.52	354.73	6.39	-118.13
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000384851	1	38	-2.0	-123.47	346.58	6.23	-117.24
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=C1	REAL300000384852	1	40	-2.0	-136.51	361.28	3.96	-132.55
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384854	1	42	-2.0	-130.65	377.19	2.61	-128.04
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300000384855	0	34	-2.0	-120.19	320.10	7.06	-113.13
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=C1	REAL300000384856	0	46	-2.0	-136.36	386.52	5.77	-130.59
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000384857	0	41	-2.0	-145.19	362.50	5.39	-139.80
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=C1	REAL300000384858	1	40	-2.0	-140.43	361.29	3.96	-136.47
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)=C1	REAL300000384859	1	43	-2.0	-132.36	374.79	9.13	-123.23
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1OC	REAL300000384861	0	42	-2.0	-130.65	364.77	5.70	-124.95
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1OC	REAL300000384862	1	45	-2.0	-126.99	374.74	6.41	-120.58
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000384863	0	37	-3.0	-205.63	335.70	6.34	-199.29
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000384863	1	38	-2.0	-115.70	335.66	6.34	-109.36
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=C1	REAL300000384864	0	34	-2.0	-136.44	318.04	6.00	-130.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(Br)=C1	REAL300000384865	0	37	-2.0	-128.08	338.46	7.80	-120.28
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=C1	REAL300000384866	0	39	-2.0	-126.55	342.79	2.59	-123.96
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000384867	0	41	-2.0	-99.33	350.92	5.80	-93.53
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384868	0	40	-2.0	-129.30	368.43	7.65	-121.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000384870	1	38	-2.0	-125.31	346.11	6.29	-119.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1F	REAL300000384871	1	38	-2.0	-125.11	336.31	5.81	-119.30
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)=C1	REAL300000384874	1	41	-2.0	-123.26	351.20	3.89	-119.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1C(N)=O	REAL300000384875	1	42	-2.0	-124.72	362.41	3.81	-120.91
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2)=C1	REAL300000384876	0	34	-2.0	-125.27	305.14	4.15	-121.12
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)=C1	REAL300000384877	0	39	-2.0	-114.68	344.27	7.88	-106.80
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CN1C	REAL300000384879	0	42	-2.0	-127.77	364.78	4.07	-123.70
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)=C1	REAL300000384880	1	37	-2.0	-124.07	332.77	7.73	-116.34
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC(C)=CC(C)=C3C(=O)[O-])C=N2)C=C1	REAL300000384882	0	44	-2.0	-132.57	389.54	8.24	-124.33
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)=C1	REAL300000384884	1	45	-2.0	-127.87	376.06	6.57	-121.30
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)=C1	REAL300000384886	1	42	-2.0	-128.17	364.11	6.29	-121.88
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384887	0	36	-3.0	-195.71	338.14	6.68	-189.03
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=C1	REAL300000384888	1	35	-2.0	-132.63	344.02	5.99	-126.64
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=C1	REAL300000384889	1	35	-2.0	-116.92	336.83	7.24	-109.68
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000384890	0	43	-2.0	-98.13	358.39	8.30	-89.83
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C1	REAL300000384891	1	38	-2.0	-133.73	338.93	6.80	-126.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C2=CC=CN=C12	REAL300000384892	1	43	-2.0	-132.33	365.87	6.21	-126.12
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)=C1	REAL300000384893	1	37	-2.0	-127.04	336.06	7.54	-119.50
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1	REAL300000384894	0	34	-2.0	-131.96	322.23	7.00	-124.96
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384896	0	40	-2.0	-121.91	357.04	6.89	-115.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C2=CC=CC=C12	REAL300000384897	1	44	-2.0	-137.04	369.94	8.09	-128.95
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=C1	REAL300000384898	1	37	-2.0	-126.81	327.32	7.14	-119.67
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)=C1	REAL300000384899	1	37	-2.0	-121.46	332.78	7.72	-113.74
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384900	0	37	-2.0	-135.91	327.48	7.16	-128.75
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)=C1	REAL300000384901	1	37	-2.0	-124.12	322.45	7.27	-116.85
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C1	REAL300000384902	1	40	-2.0	-128.34	360.63	8.50	-119.84
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=C1	REAL300000384903	0	39	-2.0	-143.90	334.30	8.69	-135.21
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)=C1	REAL300000384904	0	42	-2.0	-130.96	365.87	5.68	-125.28
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)=C1	REAL300000384905	1	44	-2.0	-136.03	374.72	6.35	-129.68
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)=C1	REAL300000384907	0	42	-2.0	-148.60	361.83	7.72	-140.88
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000384910	0	33	-3.0	-202.01	320.70	6.03	-195.98
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000384910	1	34	-2.0	-113.71	320.49	6.02	-107.69
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC(C)=C2Cl)=C1	REAL300000384911	0	37	-2.0	-130.25	342.90	8.32	-121.93
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2C)=C1	REAL300000384912	1	43	-2.0	-137.90	376.75	4.73	-133.17
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=C1	REAL300000384913	0	36	-2.0	-114.73	341.92	7.67	-107.06
COC1=CC=C(S(=O)(=O)NC2=CC(C)=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000384914	0	41	-2.0	-124.98	354.92	7.01	-117.97
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)=C1	REAL300000384915	1	42	-2.0	-131.83	350.68	7.82	-124.01
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)C=CS2)=C1	REAL300000384916	0	31	-2.0	-123.54	312.87	5.99	-117.55
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CC=C1O	REAL300000384917	1	41	-2.0	-125.76	364.19	5.12	-120.64
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384918	1	47	-2.0	-137.32	403.98	6.23	-131.09
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1	REAL300000384919	0	36	-2.0	-134.17	328.30	7.92	-126.25
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000384920	0	46	-2.0	-104.88	379.58	8.57	-96.31
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000384920	1	45	-3.0	-206.08	382.76	9.00	-197.08
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300000384921	1	44	-2.0	-131.42	374.78	9.85	-121.57
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1	REAL300000384922	0	36	-2.0	-138.86	333.96	7.81	-131.05
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384923	1	45	-2.0	-139.88	391.33	6.10	-133.78
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)=C1	REAL300000384926	1	45	-2.0	-140.51	388.65	6.41	-134.10
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384927	0	38	-2.0	-129.17	331.75	4.80	-124.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384928	0	43	-2.0	-103.18	356.04	8.09	-95.09
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384928	1	42	-3.0	-196.88	355.16	8.54	-188.34
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1	REAL300000384929	0	37	-2.0	-134.18	340.09	7.33	-126.85
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384930	0	43	-3.0	-208.23	379.45	7.55	-200.68
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384930	1	44	-2.0	-101.90	374.38	7.05	-94.85
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000384931	0	39	-3.0	-181.00	355.39	7.47	-173.53
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000384931	1	38	-4.0	-301.90	357.45	7.56	-294.34
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000384932	0	37	-2.0	-121.66	348.44	6.20	-115.46
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000384933	0	44	-2.0	-104.86	369.91	8.42	-96.44
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000384933	1	43	-3.0	-210.11	373.27	8.89	-201.22
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])=C1	REAL300000384934	0	42	-2.0	-142.99	361.01	9.07	-133.92
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C1	REAL300000384935	0	38	-2.0	-119.67	338.39	6.80	-112.87
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1	REAL300000384936	0	34	-2.0	-126.07	315.47	6.78	-119.29
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000384937	0	44	-2.0	-135.71	396.65	5.37	-130.34
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000384938	0	44	-2.0	-126.46	394.07	5.41	-121.05
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000384939	0	36	-3.0	-195.06	332.03	6.14	-188.92
CC1=C(S(=O)(=O)NC2=CC(C)=CC(C)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000384939	1	37	-2.0	-98.40	329.28	5.66	-92.74
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1	REAL300000384940	0	37	-2.0	-156.17	335.77	5.64	-150.53
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384941	0	40	-2.0	-134.27	360.82	7.14	-127.13
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384942	0	44	-2.0	-139.52	372.09	7.81	-131.71
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000384943	1	37	-2.0	-117.37	344.91	7.50	-109.87
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1	REAL300000384945	0	36	-2.0	-141.29	334.33	8.59	-132.70
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1	REAL300000384946	1	39	-2.0	-139.21	348.92	6.61	-132.60
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C2=CC=CC=C12	REAL300000384947	1	47	-2.0	-136.63	391.79	9.02	-127.61
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1	REAL300000384948	0	33	-2.0	-119.30	316.93	5.23	-114.07
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1	REAL300000384951	0	36	-2.0	-146.14	326.64	8.06	-138.08
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000384952	0	40	-3.0	-211.40	358.01	6.08	-205.32
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000384952	1	41	-2.0	-111.29	355.35	5.60	-105.69
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000384953	0	41	-2.0	-128.65	361.16	7.55	-121.10
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000384954	0	44	-2.0	-126.65	386.57	8.00	-118.65
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1	REAL300000384955	0	33	-2.0	-119.08	302.01	4.71	-114.37
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C(F)(F)F)=C2)=C1	REAL300000384956	1	40	-2.0	-126.16	355.02	7.96	-118.20
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)=C1	REAL300000384957	1	44	-2.0	-125.47	380.83	7.35	-118.12
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384958	0	37	-2.0	-127.62	348.62	6.10	-121.52
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384959	1	42	-2.0	-116.64	355.03	8.65	-107.99
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=C1	REAL300000384960	1	39	-2.0	-131.44	336.72	6.86	-124.58
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1	REAL300000384961	0	33	-2.0	-119.64	325.72	5.57	-114.07
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000384962	0	44	-2.0	-99.35	378.82	7.94	-91.41
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C=N2)=C1	REAL300000384963	0	34	-2.0	-137.68	304.58	5.53	-132.15
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C)=C3C(=O)[O-])C=C12	REAL300000384965	1	42	-2.0	-123.57	366.91	6.16	-117.41
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C)=C3C(=O)[O-])C=C12	REAL300000384966	0	38	-2.0	-122.43	347.32	3.42	-119.01
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=C1	REAL300000384968	1	43	-2.0	-131.06	382.13	9.28	-121.78
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1	REAL300000384969	0	34	-2.0	-133.39	312.34	6.56	-126.83
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000384970	0	38	-2.0	-132.89	338.54	6.02	-126.87
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1	REAL300000384971	0	36	-2.0	-134.29	338.63	8.37	-125.92
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000384972	0	40	-2.0	-96.06	345.70	7.36	-88.70
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000384972	1	39	-3.0	-193.27	349.74	7.82	-185.45
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1	REAL300000384973	0	40	-2.0	-136.55	343.70	6.07	-130.48
CC1=NC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CN1C	REAL300000384974	0	37	-2.0	-143.48	324.26	5.32	-138.16
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000384975	0	41	-2.0	-98.59	365.04	7.30	-91.29
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000384975	1	40	-3.0	-185.86	366.35	7.34	-178.52
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1	REAL300000384976	0	38	-2.0	-131.68	338.58	6.48	-125.20
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384977	1	43	-2.0	-132.93	377.25	8.02	-124.91
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=N1	REAL300000384978	0	37	-2.0	-125.76	326.65	4.99	-120.77
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000384979	1	46	-2.0	-123.13	398.71	8.82	-114.31
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384980	1	41	-2.0	-132.11	355.65	6.16	-125.95
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000384981	0	37	-2.0	-127.23	344.81	7.50	-119.73
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1	REAL300000384982	0	34	-2.0	-128.86	332.66	6.53	-122.33
CCOC1=CC=C(S(=O)(=O)NC2=CC(C)=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000384983	0	44	-2.0	-106.91	376.84	7.92	-98.99
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1	REAL300000384984	1	39	-2.0	-129.01	336.56	5.73	-123.28
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CC=C1F	REAL300000384985	1	43	-2.0	-120.68	381.80	8.04	-112.64
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1	REAL300000384986	0	34	-2.0	-123.17	320.10	7.06	-116.11
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C)=C3C(=O)[O-])C=C2)=CO1	REAL300000384987	1	43	-2.0	-133.08	376.99	5.51	-127.57
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=C1	REAL300000384990	1	38	-2.0	-121.12	344.88	3.29	-117.83
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000384991	0	34	-2.0	-122.88	300.94	3.48	-119.40
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000384992	1	38	-2.0	-132.53	330.08	5.73	-126.80
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C)=C1	REAL300000384993	1	37	-2.0	-129.25	315.63	7.22	-122.03
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000384994	0	40	-2.0	-132.48	361.24	4.68	-127.80
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000384994	1	39	-3.0	-203.36	357.92	3.56	-199.80
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=NN(C)C=C2)=C1	REAL300000384995	0	34	-2.0	-136.19	305.42	3.97	-132.22
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C)=C1	REAL300000384996	0	34	-2.0	-120.82	300.80	4.07	-116.75
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C(F)C=C1F	REAL300000385002	0	40	-2.0	-121.26	365.36	7.17	-114.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000385003	0	37	-2.0	-135.36	327.48	7.17	-128.19
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)=C1	REAL300000385004	1	37	-2.0	-122.41	327.30	7.13	-115.28
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])O1	REAL300000385005	0	37	-2.0	-123.06	340.11	5.23	-117.83
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1	REAL300000385006	0	39	-2.0	-153.36	347.51	7.07	-146.29
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000385007	0	40	-2.0	-136.59	366.99	7.11	-129.48
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1	REAL300000385008	0	34	-2.0	-118.88	318.78	6.62	-112.26
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000385009	0	36	-3.0	-198.56	338.72	6.89	-191.67
CC1=C(S(=O)(=O)NC2=CC(C)=CC(C)=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000385009	1	37	-2.0	-100.68	334.31	6.41	-94.27
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1C	REAL300000385010	1	43	-2.0	-132.65	364.92	7.75	-124.90
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385011	0	38	-2.0	-129.82	343.18	6.29	-123.53
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)=C1	REAL300000385012	0	36	-2.0	-120.00	331.23	5.65	-114.35
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000385014	1	43	-2.0	-134.33	377.54	7.88	-126.45
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C)=C3C(=O)[O-])C=C21	REAL300000385016	1	45	-2.0	-154.70	379.74	7.48	-147.22
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385017	0	46	-2.0	-128.80	378.68	7.08	-121.72
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])SC=C1	REAL300000385018	0	34	-2.0	-128.97	308.79	6.25	-122.72
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385019	1	40	-2.0	-126.21	372.08	7.60	-118.61
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1C	REAL300000385020	0	43	-2.0	-128.21	359.07	6.33	-121.88
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1C	REAL300000385021	1	43	-2.0	-124.76	371.39	7.63	-117.13
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)=C1	REAL300000385022	0	39	-2.0	-116.78	344.65	7.62	-109.16
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000385025	1	42	-2.0	-142.31	360.17	4.89	-137.42
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)=C1	REAL300000385026	1	43	-2.0	-142.91	385.61	4.64	-138.27
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)=C1	REAL300000385027	1	38	-2.0	-122.27	336.72	7.63	-114.64
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CC=C1F	REAL300000385028	1	41	-2.0	-139.60	361.51	5.44	-134.16
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2F)=C1	REAL300000385029	0	39	-2.0	-125.42	353.10	7.81	-117.61
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=C3OC(C)CC3=C2)=C1	REAL300000385030	1	42	-2.0	-126.39	374.37	7.57	-118.82
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CC=C1C	REAL300000385031	1	44	-2.0	-152.45	375.10	6.21	-146.24
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385032	0	38	-2.0	-131.05	338.21	6.90	-124.15
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)=C1	REAL300000385033	1	38	-2.0	-119.07	336.83	7.60	-111.47
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000385035	1	43	-2.0	-136.24	369.28	6.51	-129.73
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CC=C1OC	REAL300000385036	1	44	-2.0	-127.35	382.68	7.14	-120.21
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=C1	REAL300000385037	0	35	-2.0	-123.87	326.99	6.88	-116.99
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C)=C3C(=O)[O-])C=C2O1	REAL300000385038	1	39	-2.0	-127.89	344.21	4.09	-123.80
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=C1	REAL300000385039	0	40	-2.0	-126.45	345.34	5.53	-120.92
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1	REAL300000385040	1	39	-2.0	-131.37	341.56	6.82	-124.55
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=N1	REAL300000385041	0	40	-2.0	-129.73	359.96	5.21	-124.52
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=C1	REAL300000385042	0	40	-2.0	-140.93	344.53	4.87	-136.06
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])=C1	REAL300000385043	0	37	-2.0	-129.88	339.67	8.19	-121.69
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300000385045	0	43	-2.0	-132.04	372.79	7.80	-124.24
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)=C1	REAL300000385047	0	38	-2.0	-125.52	357.40	7.74	-117.78
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000385048	1	34	-2.0	-111.82	319.56	6.62	-105.20
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=C1	REAL300000385049	1	45	-2.0	-126.69	383.03	8.26	-118.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CN1C	REAL300000385051	0	41	-2.0	-132.33	361.75	6.53	-125.80
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000385052	1	49	-2.0	-130.62	391.02	9.23	-121.39
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000385053	0	36	-3.0	-188.37	342.08	7.55	-180.82
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000385053	1	37	-2.0	-94.52	338.88	7.09	-87.43
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000385054	0	37	-2.0	-100.58	332.09	6.98	-93.60
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000385054	1	36	-3.0	-189.90	333.58	7.03	-182.87
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)=C1	REAL300000385055	1	42	-2.0	-138.47	366.66	5.84	-132.63
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000385056	0	41	-2.0	-131.85	365.55	7.72	-124.13
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000385057	1	44	-2.0	-139.47	368.21	6.68	-132.79
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)=C1	REAL300000385058	1	40	-2.0	-123.75	347.59	7.77	-115.98
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=C1	REAL300000385059	0	37	-2.0	-118.24	345.38	4.50	-113.74
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000385060	0	33	-3.0	-193.70	321.29	6.12	-187.58
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=C1	REAL300000385061	0	43	-2.0	-137.40	365.11	7.40	-130.00
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000385062	0	37	-2.0	-94.76	333.40	6.98	-87.78
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000385062	1	36	-3.0	-197.50	335.43	7.06	-190.44
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000385063	0	39	-3.0	-204.47	354.78	7.70	-196.77
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)=C1	REAL300000385064	1	48	-2.0	-126.56	393.39	8.49	-118.07
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CN1	REAL300000385065	0	38	-2.0	-128.82	343.98	4.77	-124.05
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000385066	0	36	-3.0	-192.66	334.48	7.06	-185.60
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000385066	1	37	-2.0	-105.08	331.40	6.65	-98.43
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000385067	0	37	-2.0	-98.41	340.07	7.34	-91.07
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000385067	1	36	-3.0	-188.68	341.55	7.40	-181.28
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)=C1	REAL300000385068	1	37	-2.0	-125.71	320.95	7.26	-118.45
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(Br)=C2)=C1	REAL300000385069	1	37	-2.0	-127.24	340.09	7.63	-119.61
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CC=C1C	REAL300000385070	1	43	-2.0	-126.89	371.43	7.62	-119.27
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CS1	REAL300000385071	0	37	-2.0	-127.83	347.86	6.11	-121.72
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CC=C1F	REAL300000385072	1	40	-2.0	-120.21	359.92	7.11	-113.10
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000385073	0	36	-2.0	-125.60	324.84	5.03	-120.57
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=C1	REAL300000385074	1	38	-2.0	-133.18	342.85	7.61	-125.57
CC(=O)NC1=CC(S(=O)(=O)NC2=CC(C)=CC(C)=C2C(=O)[O-])=CC=C1[O-]	REAL300000385075	1	42	-2.0	-105.57	360.31	3.32	-102.25
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000385078	0	40	-2.0	-97.19	354.47	7.76	-89.43
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000385078	1	39	-3.0	-195.01	358.47	8.20	-186.81
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)=C1	REAL300000385079	1	40	-2.0	-123.08	354.79	8.21	-114.87
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385080	1	40	-2.0	-132.01	343.48	7.87	-124.14
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=C1	REAL300000385081	0	37	-2.0	-127.04	356.21	8.37	-118.67
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)=C1	REAL300000385082	1	37	-2.0	-126.62	328.39	7.17	-119.45
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385084	0	40	-2.0	-124.90	358.47	5.89	-119.01
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=C1	REAL300000385085	1	40	-2.0	-124.07	351.96	5.49	-118.58
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000385086	0	37	-2.0	-108.13	337.83	7.01	-101.12
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000385086	1	36	-3.0	-193.58	339.85	7.08	-186.50
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000385087	0	38	-3.0	-190.93	357.22	7.66	-183.27
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000385087	1	39	-2.0	-102.38	355.22	7.59	-94.79
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=C1	REAL300000385088	0	37	-2.0	-131.64	353.91	8.31	-123.33
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385089	0	44	-2.0	-137.81	383.50	6.89	-130.92
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385090	1	46	-2.0	-131.74	387.33	8.41	-123.33
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)=C1	REAL300000385092	0	37	-2.0	-125.95	332.78	7.19	-118.76
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=C1	REAL300000385093	0	40	-2.0	-138.92	352.41	9.50	-129.42
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1	REAL300000385094	1	40	-2.0	-140.23	341.61	8.74	-131.49
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1	REAL300000385095	0	36	-2.0	-127.69	332.58	5.91	-121.78
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2Cl)=C1	REAL300000385096	0	39	-2.0	-120.83	360.74	8.30	-112.53
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)=C1	REAL300000385097	1	38	-2.0	-126.26	358.59	6.58	-119.68
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000385098	0	41	-2.0	-127.35	377.51	5.99	-121.36
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Br)=C2C)=C1	REAL300000385099	1	37	-2.0	-125.04	333.72	7.74	-117.30
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000385100	0	37	-3.0	-199.05	338.74	4.70	-194.35
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000385100	1	37	-3.0	-184.16	332.10	5.00	-179.16
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1	REAL300000385101	1	44	-2.0	-134.68	355.88	9.06	-125.62
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000385102	0	40	-2.0	-99.94	349.38	7.71	-92.23
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000385102	1	39	-3.0	-193.39	351.22	7.78	-185.61
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000385103	1	41	-2.0	-129.14	371.17	5.98	-123.16
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])O1	REAL300000385104	0	40	-2.0	-123.50	361.97	6.16	-117.34
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1	REAL300000385105	0	36	-2.0	-116.75	335.19	7.17	-109.58
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385106	0	39	-2.0	-137.00	356.40	7.48	-129.52
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)=C1	REAL300000385107	1	46	-2.0	-129.01	391.32	7.97	-121.04
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2C)=C1	REAL300000385108	1	39	-2.0	-115.64	356.30	8.26	-107.38
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)=C1	REAL300000385109	0	37	-2.0	-138.44	343.26	7.15	-131.29
COC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])SC=C1	REAL300000385110	0	35	-2.0	-135.53	322.73	4.72	-130.81
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385111	1	43	-2.0	-139.89	382.75	4.85	-135.04
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300000385112	0	40	-2.0	-132.40	357.33	7.54	-124.86
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000385113	0	37	-2.0	-133.80	330.33	6.82	-126.98
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)=C1	REAL300000385114	0	42	-2.0	-150.22	362.08	7.67	-142.55
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)=C1	REAL300000385115	1	45	-2.0	-124.22	383.87	5.95	-118.27
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=C1	REAL300000385116	1	40	-2.0	-130.19	355.99	9.17	-121.02
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CC(F)=C1F	REAL300000385117	1	40	-2.0	-114.63	366.18	7.17	-107.46
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])SC2=CC=CC(F)=C12	REAL300000385118	0	40	-2.0	-134.31	358.06	8.65	-125.66
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)=C1	REAL300000385119	0	39	-2.0	-125.93	354.59	7.81	-118.12
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385120	0	36	-2.0	-133.98	333.81	5.18	-128.80
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC(C)=CC(C)=C3C(=O)[O-])C=NC2=C1Cl	REAL300000385122	0	39	-2.0	-117.53	361.58	6.40	-111.13
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)=C1	REAL300000385123	1	36	-2.0	-121.09	348.84	6.34	-114.75
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=C1	REAL300000385124	0	34	-2.0	-118.12	316.61	5.34	-112.78
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=C1	REAL300000385125	0	34	-2.0	-137.05	320.91	5.26	-131.79
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385126	1	42	-2.0	-133.96	359.58	5.04	-128.92
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1	REAL300000385127	0	35	-2.0	-135.61	316.41	5.17	-130.44
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=C1	REAL300000385128	0	35	-2.0	-117.73	322.78	4.26	-113.47
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000385129	0	33	-2.0	-125.03	309.09	4.25	-120.78
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CC=C1Cl	REAL300000385130	1	40	-2.0	-120.79	367.91	7.48	-113.31
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)=C1	REAL300000385131	1	39	-2.0	-114.14	348.35	7.92	-106.22
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000385132	0	40	-2.0	-118.69	336.12	7.60	-111.09
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000385132	1	39	-3.0	-208.72	338.88	7.62	-201.10
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000385134	1	41	-2.0	-149.22	365.17	4.29	-144.93
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000385135	0	40	-2.0	-100.90	351.85	7.57	-93.33
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000385135	1	39	-3.0	-205.87	353.86	7.64	-198.23
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000385136	0	40	-2.0	-99.67	340.71	7.70	-91.97
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C(C)N1	REAL300000385138	0	47	-2.0	-128.68	396.60	7.11	-121.57
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)=C1	REAL300000385139	0	37	-2.0	-128.60	332.77	7.20	-121.40
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000385140	0	40	-2.0	-116.56	356.12	7.18	-109.38
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000385141	0	43	-2.0	-120.40	359.81	7.98	-112.42
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000385141	1	42	-3.0	-213.46	361.90	8.06	-205.40
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1	REAL300000385142	1	40	-2.0	-140.42	358.30	9.25	-131.17
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000385143	0	38	-3.0	-202.27	355.49	8.08	-194.19
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000385143	1	39	-2.0	-121.89	353.76	7.96	-113.93
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1	REAL300000385144	0	37	-2.0	-126.95	345.90	7.93	-119.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1CC	REAL300000385145	1	46	-2.0	-133.30	377.65	9.00	-124.30
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000385146	0	36	-3.0	-193.70	340.78	7.12	-186.58
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)=C1	REAL300000385147	1	39	-2.0	-117.57	353.61	7.76	-109.81
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1	REAL300000385148	0	33	-2.0	-124.59	319.53	5.88	-118.71
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=C1	REAL300000385149	0	40	-2.0	-137.70	346.01	6.82	-130.88
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=N1	REAL300000385150	0	39	-2.0	-119.46	351.33	5.26	-114.20
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1	REAL300000385151	0	33	-2.0	-115.27	325.99	5.62	-109.65
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000385152	0	43	-2.0	-123.40	360.94	8.37	-115.03
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000385153	0	39	-3.0	-205.27	354.64	7.69	-197.58
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000385153	1	40	-2.0	-113.12	351.28	7.22	-105.90
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000385154	0	39	-3.0	-200.61	360.79	8.13	-192.48
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000385154	1	40	-2.0	-99.53	357.59	7.66	-91.87
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000385155	0	39	-3.0	-220.33	354.07	7.68	-212.65
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1	REAL300000385156	0	34	-2.0	-115.13	327.81	6.92	-108.21
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385157	1	42	-2.0	-141.03	363.67	7.70	-133.33
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=N1	REAL300000385158	0	41	-2.0	-128.36	367.32	4.05	-124.31
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000385159	0	39	-2.0	-135.54	350.88	7.27	-128.27
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2Br)=C1	REAL300000385160	0	37	-2.0	-129.53	335.25	7.70	-121.83
CCC1=CC=C(S(=O)(=O)NC2=CC(C)=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000385161	0	43	-2.0	-100.76	361.12	8.11	-92.65
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000385161	1	42	-3.0	-211.55	363.20	8.17	-203.38
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1	REAL300000385162	0	45	-2.0	-126.32	377.74	4.97	-121.35
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)=C1	REAL300000385165	0	38	-2.0	-139.05	337.81	7.24	-131.81
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)=C1	REAL300000385166	0	40	-2.0	-92.20	345.33	6.47	-85.73
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=C1	REAL300000385167	0	43	-2.0	-130.46	373.56	8.08	-122.38
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385168	0	40	-2.0	-137.30	347.89	7.19	-130.11
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300000385169	0	42	-2.0	-124.17	358.62	4.19	-119.98
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=C1	REAL300000385171	0	37	-2.0	-137.17	326.38	7.15	-130.02
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=N1	REAL300000385172	0	40	-2.0	-122.23	349.62	4.06	-118.17
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1	REAL300000385173	0	41	-2.0	-145.24	346.51	6.46	-138.78
COC1=CC=C(S(=O)(=O)NC2=CC(C)=CC(C)=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000385174	0	44	-2.0	-126.58	378.21	7.08	-119.50
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000385175	1	41	-2.0	-129.53	355.65	6.17	-123.36
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385176	0	39	-2.0	-129.04	339.83	3.42	-125.62
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)=C1	REAL300000385177	0	37	-2.0	-131.15	332.43	7.58	-123.57
CC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C(C)O1	REAL300000385179	0	37	-2.0	-126.22	323.52	6.01	-120.21
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=C1	REAL300000385180	0	40	-2.0	-135.43	346.82	4.10	-131.33
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385182	0	43	-2.0	-125.19	383.65	8.08	-117.11
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385183	1	41	-2.0	-129.01	347.16	6.47	-122.54
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000385184	0	43	-2.0	-117.90	374.23	6.75	-111.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])O1	REAL300000385186	0	34	-2.0	-129.64	305.17	5.25	-124.39
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385187	0	37	-2.0	-130.66	332.78	6.79	-123.87
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1	REAL300000385188	1	37	-2.0	-126.23	326.64	5.09	-121.14
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=C1	REAL300000385189	0	42	-2.0	-145.64	354.06	8.23	-137.41
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1	REAL300000385190	0	40	-2.0	-133.26	349.84	8.46	-124.80
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1	REAL300000385191	0	36	-2.0	-113.21	333.34	7.13	-106.08
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000385192	0	40	-2.0	-99.05	351.08	7.71	-91.34
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000385192	1	39	-3.0	-199.54	355.10	8.16	-191.38
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1	REAL300000385193	1	34	-2.0	-119.46	323.74	7.02	-112.44
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C(C)O1	REAL300000385194	0	40	-2.0	-120.55	358.43	5.99	-114.56
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1	REAL300000385195	0	33	-2.0	-119.30	312.36	5.13	-114.17
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000385196	0	40	-2.0	-98.81	358.26	7.88	-90.93
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000385196	1	39	-3.0	-205.86	360.25	7.95	-197.91
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])N=C1C	REAL300000385197	0	40	-2.0	-140.51	346.18	6.22	-134.29
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385198	0	37	-2.0	-128.63	338.46	7.80	-120.83
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385199	0	37	-2.0	-130.22	335.11	7.66	-122.56
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000385200	0	40	-3.0	-207.61	357.07	7.20	-200.41
CCN1C=C(S(=O)(=O)NC2=CC(C)=CC(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000385200	1	41	-2.0	-116.77	356.77	7.20	-109.57
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385201	0	37	-2.0	-127.55	340.45	5.18	-122.37
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385202	0	46	-2.0	-129.22	380.04	7.00	-122.22
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CN1C	REAL300000385203	0	44	-2.0	-131.78	383.62	7.46	-124.32
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)=C1	REAL300000385204	1	42	-2.0	-130.48	367.27	8.38	-122.10
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1	REAL300000385205	0	34	-2.0	-133.57	316.62	7.23	-126.34
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)=C1	REAL300000385206	0	36	-2.0	-127.87	330.46	5.75	-122.12
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385207	0	39	-2.0	-126.17	349.61	6.62	-119.55
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000385208	1	38	-2.0	-125.64	355.80	7.91	-117.73
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000385209	0	36	-2.0	-124.94	330.58	5.00	-119.94
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C)=C3C(=O)[O-])C=C12	REAL300000385210	0	41	-2.0	-121.87	368.81	4.16	-117.71
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000385211	0	36	-2.0	-122.81	338.69	6.76	-116.05
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CN=C1Cl	REAL300000385213	0	37	-2.0	-117.79	341.44	4.39	-113.40
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(C)=CC(C)=C3C(=O)[O-])=CC=C21	REAL300000385214	1	43	-2.0	-124.42	376.52	7.40	-117.02
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000385215	0	36	-2.0	-116.86	336.09	5.75	-111.11
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385216	0	40	-2.0	-125.64	361.76	7.15	-118.49
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=C1	REAL300000385217	0	37	-2.0	-126.38	345.95	3.67	-122.71
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385218	0	49	-2.0	-128.61	398.92	7.88	-120.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(C)=C1F	REAL300000385219	1	41	-2.0	-125.15	350.66	6.55	-118.60
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=C1	REAL300000385220	0	35	-2.0	-119.08	334.46	7.39	-111.69
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1	REAL300000385221	0	37	-2.0	-140.54	328.49	6.75	-133.79
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385222	0	39	-2.0	-125.19	350.56	5.30	-119.89
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1	REAL300000385223	0	31	-2.0	-122.73	304.94	5.16	-117.57
CC1=NC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300000385224	0	43	-2.0	-140.17	374.77	5.54	-134.63
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)=C1	REAL300000385225	1	42	-2.0	-123.90	363.16	8.51	-115.39
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1	REAL300000385226	0	34	-2.0	-125.49	321.66	6.84	-118.65
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385230	1	46	-2.0	-130.09	392.65	8.80	-121.29
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1	REAL300000385231	0	34	-2.0	-119.89	335.74	7.55	-112.34
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385232	0	34	-2.0	-122.06	329.53	6.66	-115.40
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(OC)=C1	REAL300000385233	0	44	-2.0	-130.54	383.54	6.89	-123.65
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1	REAL300000385234	1	37	-2.0	-130.40	332.77	7.30	-123.10
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1	REAL300000385235	0	37	-2.0	-124.41	344.81	7.49	-116.92
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC(Br)=C2)=C1	REAL300000385236	1	37	-2.0	-126.67	343.27	7.71	-118.96
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1	REAL300000385237	0	37	-2.0	-128.01	345.50	5.34	-122.67
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385238	0	38	-2.0	-135.25	336.65	7.50	-127.75
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000385239	1	37	-2.0	-130.04	345.95	3.67	-126.37
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300000385241	0	42	-2.0	-124.20	370.03	7.73	-116.47
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(C)=CS1	REAL300000385242	0	40	-2.0	-139.42	355.69	7.62	-131.80
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CC=C1F	REAL300000385243	1	38	-2.0	-121.27	336.32	5.81	-115.46
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1	REAL300000385244	0	33	-2.0	-135.66	313.26	6.83	-128.83
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=NN2C)=C1	REAL300000385245	0	33	-2.0	-115.54	294.97	2.85	-112.69
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=C1	REAL300000385246	1	39	-2.0	-123.33	344.96	5.56	-117.77
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300000385247	0	33	-2.0	-117.59	321.76	6.20	-111.39
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000385249	1	42	-2.0	-129.69	367.86	4.66	-125.03
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000385250	0	40	-2.0	-116.32	364.06	7.27	-109.05
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300000385251	0	38	-2.0	-134.84	328.69	5.86	-128.98
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=C1	REAL300000385252	0	35	-2.0	-121.58	334.03	7.44	-114.14
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000385253	0	37	-2.0	-123.64	344.52	5.49	-118.15
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385254	1	40	-2.0	-123.31	326.82	7.98	-115.33
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Br)C=C2C)=C1	REAL300000385256	1	37	-2.0	-121.59	337.34	7.82	-113.77
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1	REAL300000385257	0	38	-2.0	-145.03	338.96	6.51	-138.52
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385258	0	47	-2.0	-128.50	390.78	7.89	-120.61
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)=C1	REAL300000385259	0	42	-2.0	-153.76	365.46	7.62	-146.14
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)=C1	REAL300000385261	1	38	-2.0	-132.61	351.81	3.72	-128.89
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1	REAL300000385262	0	35	-2.0	-136.88	325.34	4.73	-132.15
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385263	0	37	-2.0	-126.07	325.18	3.90	-122.17
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1OC	REAL300000385264	0	44	-2.0	-125.08	382.68	7.15	-117.93
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2C)OCO3)=C1	REAL300000385266	1	40	-2.0	-124.41	342.06	5.87	-118.54
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385268	0	40	-2.0	-130.64	350.82	7.64	-123.00
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000385269	0	40	-2.0	-111.67	361.15	7.99	-103.68
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000385269	1	39	-3.0	-201.71	358.88	7.96	-193.75
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)=C1	REAL300000385270	1	44	-2.0	-129.24	371.29	6.26	-122.98
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=C1	REAL300000385271	0	40	-2.0	-135.72	361.78	7.98	-127.74
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000385273	0	37	-2.0	-132.67	345.52	3.93	-128.74
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000385273	1	36	-3.0	-202.72	342.24	2.80	-199.92
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1F	REAL300000385274	1	41	-2.0	-128.42	362.38	5.46	-122.96
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1OC	REAL300000385275	0	42	-2.0	-125.66	372.37	6.20	-119.46
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000385276	1	38	-2.0	-124.50	346.07	6.08	-118.42
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000385277	1	37	-2.0	-116.87	344.92	7.50	-109.37
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)=C1	REAL300000385278	0	39	-2.0	-127.13	357.38	2.05	-125.08
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=C1	REAL300000385279	1	38	-2.0	-132.41	326.17	7.76	-124.65
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1	REAL300000385281	0	34	-2.0	-121.27	330.43	7.51	-113.76
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(N)=NO1	REAL300000385283	0	35	-2.0	-118.43	308.12	3.81	-114.62
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385284	0	38	-2.0	-131.53	345.55	6.74	-124.79
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1	REAL300000385285	0	35	-2.0	-122.93	328.09	5.20	-117.73
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385288	1	41	-2.0	-130.69	345.53	6.50	-124.19
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000385289	1	41	-2.0	-123.58	361.13	7.08	-116.50
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)S2)=C1	REAL300000385291	0	32	-2.0	-117.58	313.05	5.99	-111.59
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)N=C2)=C1	REAL300000385292	0	36	-2.0	-126.63	317.19	5.26	-121.37
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1	REAL300000385293	0	39	-2.0	-130.71	341.78	6.80	-123.91
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000385294	0	40	-2.0	-128.78	360.81	7.16	-121.62
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1F	REAL300000385295	0	40	-2.0	-122.13	359.91	7.12	-115.01
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385296	0	42	-2.0	-136.79	376.71	8.27	-128.52
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)=C1	REAL300000385297	1	38	-2.0	-132.97	347.42	5.99	-126.98
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1	REAL300000385298	0	33	-2.0	-112.90	318.32	5.11	-107.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000385300	0	38	-2.0	-132.42	335.54	5.79	-126.63
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000385301	1	40	-2.0	-128.75	361.57	8.22	-120.53
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1	REAL300000385303	1	37	-2.0	-127.51	332.77	7.30	-120.21
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000385304	1	44	-2.0	-136.70	374.78	9.85	-126.85
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])N(C)N=C1	REAL300000385306	0	37	-2.0	-121.98	317.44	4.90	-117.08
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385307	0	43	-2.0	-133.46	382.68	8.07	-125.39
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)O2)=C1	REAL300000385309	0	32	-2.0	-121.31	308.90	4.38	-116.93
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC=C2)=C1	REAL300000385310	0	31	-2.0	-125.22	291.70	5.34	-119.88
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385311	0	45	-2.0	-138.27	383.89	5.95	-132.32
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000385312	0	40	-2.0	-101.99	343.62	7.50	-94.49
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000385312	1	39	-3.0	-194.09	349.14	7.64	-186.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=N1	REAL300000385313	0	37	-2.0	-121.92	327.76	3.13	-118.79
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1	REAL300000385314	0	34	-2.0	-128.56	322.78	7.02	-121.54
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385316	1	45	-2.0	-124.39	378.49	7.70	-116.69
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385317	0	43	-2.0	-130.45	378.10	9.21	-121.24
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)=C1	REAL300000385318	0	43	-2.0	-130.42	373.93	8.92	-121.50
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C1	REAL300000385319	0	37	-2.0	-132.43	337.07	7.80	-124.63
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385320	1	46	-2.0	-135.34	399.41	8.79	-126.55
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CC=C1C	REAL300000385321	1	46	-2.0	-127.50	393.30	8.55	-118.95
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=C1	REAL300000385322	0	45	-2.0	-144.68	378.28	7.65	-137.03
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)=C1	REAL300000385323	1	38	-2.0	-119.97	364.24	7.62	-112.35
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1	REAL300000385324	0	37	-2.0	-134.21	327.17	5.07	-129.14
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)=C1	REAL300000385325	1	40	-2.0	-119.53	355.12	8.22	-111.31
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385326	1	41	-2.0	-132.96	351.94	6.66	-126.30
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1	REAL300000385327	0	34	-2.0	-129.21	322.90	7.28	-121.93
CC1=CC=C2C=C(S(=O)(=O)[N-]C3=CC(C)=CC(C)=C3C(=O)[O-])C=CC2=C1	REAL300000385329	1	43	-2.0	-134.53	367.87	9.37	-125.16
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1	REAL300000385330	0	31	-2.0	-124.45	308.54	5.88	-118.57
CC1=CSC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385331	0	34	-2.0	-128.03	314.14	6.09	-121.94
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)C)C=C2)=C1	REAL300000385332	1	47	-2.0	-133.69	396.67	6.79	-126.90
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2Cl)=C1	REAL300000385333	0	31	-2.0	-122.68	298.85	3.24	-119.44
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=C1	REAL300000385334	0	39	-2.0	-137.96	355.08	7.49	-130.47
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1	REAL300000385335	0	33	-2.0	-123.62	307.46	4.55	-119.07
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=C1	REAL300000385336	0	43	-2.0	-124.27	364.82	5.50	-118.77
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=C1	REAL300000385337	0	43	-2.0	-122.96	369.75	4.98	-117.98
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1	REAL300000385340	0	37	-2.0	-126.64	336.75	6.90	-119.74
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1	REAL300000385341	0	37	-2.0	-131.85	353.08	8.44	-123.41
CC1=NSC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385342	0	33	-2.0	-120.97	309.05	4.73	-116.24
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000385344	0	38	-2.0	-121.23	349.06	5.13	-116.10
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1	REAL300000385344	1	38	-2.0	-108.51	342.72	5.36	-103.15
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000385345	0	40	-2.0	-123.05	354.81	7.78	-115.27
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1	REAL300000385347	1	41	-2.0	-130.53	349.79	8.54	-121.99
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000385348	0	31	-2.0	-126.39	298.84	5.47	-120.92
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)=CC3=C2)=C1	REAL300000385349	1	43	-2.0	-124.15	371.65	6.17	-117.98
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1	REAL300000385350	0	40	-2.0	-142.84	361.39	4.86	-137.98
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=C1	REAL300000385351	0	37	-2.0	-127.98	339.21	5.28	-122.70
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000385352	1	43	-2.0	-129.14	365.43	8.03	-121.11
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=C1	REAL300000385353	1	35	-2.0	-136.36	340.42	5.55	-130.81
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C([N+](=O)[O-])C=C2F)=C1	REAL300000385356	0	39	-2.0	-120.57	350.10	7.68	-112.89
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000385357	0	40	-2.0	-102.63	344.80	7.37	-95.26
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000385357	1	39	-3.0	-198.60	348.56	7.83	-190.77
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1	REAL300000385358	0	35	-2.0	-127.68	333.45	5.72	-121.96
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000385359	0	38	-3.0	-222.22	352.77	8.84	-213.38
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C(F)C=C1C	REAL300000385362	0	43	-2.0	-128.73	376.68	7.69	-121.04
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1	REAL300000385363	0	34	-2.0	-118.90	333.14	6.62	-112.28
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1	REAL300000385364	0	39	-2.0	-134.28	337.56	3.35	-130.93
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000385365	0	37	-2.0	-131.55	332.01	6.97	-124.58
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CN=C1C	REAL300000385366	0	42	-2.0	-120.71	366.81	5.78	-114.93
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1	REAL300000385367	0	35	-2.0	-116.30	323.98	5.29	-111.01
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)=C1	REAL300000385368	0	36	-2.0	-118.36	328.12	5.82	-112.54
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)=C1	REAL300000385369	1	40	-2.0	-121.59	355.01	7.95	-113.64
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385370	1	43	-2.0	-135.57	377.54	7.87	-127.70
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1	REAL300000385371	1	36	-2.0	-117.44	340.34	6.30	-111.14
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=NN1C	REAL300000385375	0	37	-2.0	-124.62	321.23	4.66	-119.96
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000385376	1	38	-2.0	-130.98	331.67	7.52	-123.46
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385377	1	47	-2.0	-143.44	394.41	7.29	-136.15
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385378	0	37	-2.0	-126.67	323.95	4.79	-121.88
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385379	1	41	-2.0	-126.57	372.37	6.67	-119.90
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=C1	REAL300000385382	1	39	-2.0	-125.84	347.03	3.63	-122.21
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1	REAL300000385384	0	34	-2.0	-124.11	316.21	3.96	-120.15
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1	REAL300000385385	0	40	-2.0	-126.43	351.51	6.18	-120.25
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C(N(C)C)C=CC=C23)=C1	REAL300000385386	1	48	-2.0	-136.14	395.03	8.59	-127.55
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)=C1	REAL300000385388	1	36	-2.0	-126.61	348.77	6.35	-120.26
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000385389	0	42	-2.0	-130.86	374.34	6.09	-124.77
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1	REAL300000385390	0	42	-2.0	-122.88	378.72	5.01	-117.87
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000385391	1	41	-2.0	-136.10	356.57	6.18	-129.92
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CC=C1Cl	REAL300000385392	1	38	-2.0	-122.39	346.13	6.29	-116.10
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)=C1	REAL300000385393	0	38	-2.0	-137.46	352.15	3.07	-134.39
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000385394	0	36	-3.0	-218.79	332.67	7.02	-211.77
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1	REAL300000385395	0	31	-2.0	-131.96	299.93	4.43	-127.53
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1	REAL300000385396	0	36	-2.0	-141.50	331.76	5.85	-135.65
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1	REAL300000385397	1	39	-2.0	-133.08	336.39	6.27	-126.81
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1	REAL300000385399	0	40	-2.0	-141.20	351.07	8.74	-132.46
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300000385400	0	37	-2.0	-134.24	340.71	5.51	-128.73
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)=C1	REAL300000385401	0	37	-2.0	-129.99	327.69	7.92	-122.07
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000385402	0	38	-2.0	-125.24	344.98	6.55	-118.69
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1	REAL300000385403	0	39	-2.0	-140.88	336.82	6.26	-134.62
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1F	REAL300000385404	1	43	-2.0	-130.53	383.00	7.93	-122.60
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300000385405	0	43	-2.0	-132.92	370.53	9.48	-123.44
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)=C1	REAL300000385411	0	37	-2.0	-137.28	330.47	7.39	-129.89
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1	REAL300000385412	0	33	-2.0	-119.18	325.61	5.63	-113.55
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)=C1	REAL300000385413	0	34	-2.0	-120.12	324.13	4.58	-115.54
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=C1	REAL300000385414	1	39	-2.0	-128.20	344.42	4.89	-123.31
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000385416	0	40	-2.0	-110.05	352.37	7.59	-102.46
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000385416	1	39	-3.0	-199.50	350.19	7.56	-191.94
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385418	0	38	-2.0	-131.56	335.23	6.28	-125.28
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=C1	REAL300000385419	1	37	-2.0	-117.49	340.18	5.54	-111.95
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000385420	1	42	-2.0	-127.08	362.85	8.26	-118.82
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385421	0	50	-2.0	-139.49	404.99	8.55	-130.94
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000385423	0	37	-2.0	-118.27	343.84	3.67	-114.60
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385424	0	33	-2.0	-117.81	297.52	4.38	-113.43
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000385425	1	38	-2.0	-124.41	350.64	4.59	-119.82
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)=C1	REAL300000385426	1	37	-2.0	-123.86	336.05	7.54	-116.32
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1	REAL300000385427	1	40	-2.0	-139.98	348.68	7.42	-132.56
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385428	0	43	-2.0	-135.70	381.12	7.78	-127.92
CC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000385429	0	36	-2.0	-136.25	335.15	7.63	-128.62
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)N=S(C)(=O)N(C)C)=C1	REAL300000385430	1	39	-2.0	-147.38	342.09	2.38	-145.00
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1	REAL300000385431	1	37	-2.0	-121.95	342.56	4.62	-117.33
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000385432	0	33	-2.0	-132.85	301.07	4.62	-128.23
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1	REAL300000385435	0	33	-2.0	-117.19	302.00	4.58	-112.61
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=C1	REAL300000385437	0	36	-2.0	-127.88	351.15	6.41	-121.47
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)SC=C2)=C1	REAL300000385438	0	32	-2.0	-131.78	310.97	5.83	-125.95
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1	REAL300000385441	1	34	-2.0	-118.89	323.19	7.00	-111.89
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1	REAL300000385442	0	43	-2.0	-139.83	362.26	6.79	-133.04
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=C1	REAL300000385443	1	41	-2.0	-133.40	365.71	4.29	-129.11
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1	REAL300000385444	0	42	-2.0	-140.46	352.76	7.65	-132.81
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385445	0	44	-2.0	-129.89	374.08	5.39	-124.50
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(F)=C1	REAL300000385446	0	43	-2.0	-128.12	382.67	8.09	-120.03
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)=C1	REAL300000385452	1	41	-2.0	-141.14	356.49	3.87	-137.27
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1C	REAL300000385455	1	45	-2.0	-133.46	385.05	5.51	-127.95
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2C)=C1	REAL300000385456	0	39	-2.0	-111.74	356.31	8.27	-103.47
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])N1C	REAL300000385459	0	37	-2.0	-126.58	319.72	5.48	-121.10
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1F	REAL300000385460	0	40	-2.0	-136.68	372.39	7.18	-129.50
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385461	1	47	-2.0	-133.88	390.49	8.10	-125.78
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=C1	REAL300000385464	0	47	-2.0	-129.62	403.00	8.76	-120.86
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2[N+](=O)[O-])=C1	REAL300000385465	0	39	-2.0	-132.89	345.59	8.52	-124.37
CCC1=NC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=CN1CC1CC1	REAL300000385466	0	47	-2.0	-142.54	399.28	8.39	-134.15
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])O1	REAL300000385467	0	40	-2.0	-124.31	358.00	5.81	-118.50
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C)=C3C(=O)[O-])C=C2C1	REAL300000385468	1	45	-2.0	-135.60	385.57	7.00	-128.60
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300000385469	0	37	-2.0	-126.48	340.31	5.93	-120.55
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)=C1	REAL300000385470	1	42	-2.0	-125.60	364.23	8.77	-116.83
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000385471	0	43	-2.0	-107.26	368.48	9.07	-98.19
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000385471	1	42	-3.0	-220.44	370.11	9.12	-211.32
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=C1	REAL300000385472	0	37	-2.0	-113.97	341.17	5.11	-108.86
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1	REAL300000385473	0	33	-2.0	-124.76	317.92	5.04	-119.72
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000385474	1	44	-2.0	-144.32	366.66	9.83	-134.49
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)=C1	REAL300000385476	0	37	-2.0	-133.90	332.69	7.21	-126.69
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1	REAL300000385478	0	36	-2.0	-141.58	327.66	5.41	-136.17
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(C)=N1	REAL300000385479	0	46	-2.0	-126.55	388.48	7.20	-119.35
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000385481	0	35	-3.0	-206.53	325.24	5.11	-201.42
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385482	0	38	-2.0	-123.33	329.90	6.44	-116.89
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=C1	REAL300000385484	1	46	-2.0	-127.16	378.82	8.71	-118.45
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=C1	REAL300000385485	1	35	-2.0	-117.67	327.82	6.89	-110.78
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=C1	REAL300000385486	0	37	-2.0	-121.59	333.71	5.05	-116.54
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1	REAL300000385487	0	36	-2.0	-141.24	323.73	5.62	-135.62
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1	REAL300000385487	1	36	-2.0	-127.40	323.84	5.47	-121.93
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1	REAL300000385488	0	38	-2.0	-139.00	334.30	6.40	-132.60
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=C1	REAL300000385489	0	44	-2.0	-127.54	361.56	6.54	-121.00
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=C1	REAL300000385490	0	46	-2.0	-123.69	366.80	6.97	-116.72
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1	REAL300000385492	0	44	-2.0	-132.16	374.98	6.79	-125.37
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)=C1	REAL300000385493	0	37	-2.0	-119.00	334.88	5.34	-113.66
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2Br)=C1	REAL300000385494	0	34	-2.0	-125.24	325.76	4.63	-120.61
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300000385498	0	35	-2.0	-110.10	310.10	4.45	-105.65
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1	REAL300000385498	1	35	-2.0	-122.33	316.75	4.18	-118.15
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000385499	1	44	-2.0	-129.60	377.79	9.22	-120.38
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385500	0	40	-2.0	-123.45	340.25	5.50	-117.95
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1F	REAL300000385501	0	39	-2.0	-127.77	346.37	6.93	-120.84
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C1	REAL300000385502	0	34	-2.0	-120.24	305.80	3.80	-116.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(C#N)=C1	REAL300000385503	0	38	-2.0	-136.21	340.07	7.40	-128.81
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)=C1	REAL300000385504	0	38	-2.0	-132.91	331.98	7.66	-125.25
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000385505	1	37	-2.0	-122.58	337.27	7.34	-115.24
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=C1	REAL300000385508	1	41	-2.0	-132.29	364.33	8.39	-123.90
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)=C1	REAL300000385509	1	40	-2.0	-122.69	347.49	8.65	-114.04
COC1=NSC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385510	0	34	-2.0	-122.64	326.82	2.24	-120.40
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000385512	0	30	-2.0	-120.16	287.30	4.13	-116.03
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385515	0	40	-3.0	-196.74	357.23	6.80	-189.94
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385515	1	41	-2.0	-98.92	354.53	6.32	-92.60
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000385516	0	38	-2.0	-123.97	340.10	2.04	-121.93
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385517	1	43	-2.0	-122.88	348.26	8.74	-114.14
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1	REAL300000385518	0	34	-2.0	-123.12	321.04	6.34	-116.78
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000385520	0	33	-3.0	-193.94	336.14	5.98	-187.96
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1	REAL300000385521	1	39	-2.0	-140.44	336.81	6.95	-133.49
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385522	0	41	-2.0	-130.26	361.98	6.62	-123.64
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C1	REAL300000385523	0	35	-2.0	-131.88	326.43	6.84	-125.04
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=N2)=C1	REAL300000385524	0	33	-2.0	-130.42	299.37	2.75	-127.67
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385525	0	37	-2.0	-118.95	355.14	5.71	-113.24
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1	REAL300000385526	0	41	-2.0	-127.22	350.49	6.12	-121.10
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1	REAL300000385527	0	41	-2.0	-124.85	347.45	6.31	-118.54
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1	REAL300000385528	0	44	-2.0	-125.83	369.77	7.06	-118.77
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300000385529	0	35	-2.0	-107.02	336.07	5.65	-101.37
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300000385529	1	34	-3.0	-229.73	346.54	6.05	-223.68
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=C1	REAL300000385530	0	45	-2.0	-134.94	375.61	4.44	-130.50
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000385531	0	40	-2.0	-129.61	367.41	7.34	-122.27
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000385532	1	40	-2.0	-126.30	351.31	3.67	-122.63
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1	REAL300000385533	0	31	-2.0	-125.82	301.22	5.16	-120.66
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1F	REAL300000385534	1	38	-2.0	-117.93	346.43	5.98	-111.95
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1	REAL300000385535	0	41	-2.0	-133.11	344.94	6.46	-126.65
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1F	REAL300000385536	0	38	-2.0	-125.90	341.77	5.87	-120.03
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)=C1	REAL300000385538	0	44	-2.0	-134.79	374.66	7.81	-126.98
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385539	0	37	-2.0	-125.21	323.54	7.13	-118.08
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=C1	REAL300000385540	0	42	-2.0	-142.83	357.98	7.02	-135.81
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=C1	REAL300000385541	0	42	-2.0	-126.95	369.24	6.09	-120.86
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=C1	REAL300000385542	1	42	-2.0	-130.17	368.80	8.64	-121.53
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385543	0	38	-2.0	-133.17	337.04	7.10	-126.07
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=C1	REAL300000385544	0	40	-2.0	-135.41	354.27	7.05	-128.36
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC=C2Cl)=C1	REAL300000385545	0	31	-2.0	-124.73	306.00	5.87	-118.86
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Br)=NN2C)=C1	REAL300000385546	0	34	-2.0	-116.15	321.50	4.61	-111.54
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1	REAL300000385547	0	36	-2.0	-117.95	334.48	5.59	-112.36
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385548	0	39	-2.0	-145.10	341.27	6.04	-139.06
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385549	0	36	-2.0	-117.13	316.76	3.74	-113.39
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1	REAL300000385551	1	35	-2.0	-116.60	315.48	5.22	-111.38
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1	REAL300000385552	0	37	-2.0	-133.11	339.40	7.86	-125.25
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1	REAL300000385553	0	37	-2.0	-144.14	345.47	6.13	-138.01
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=C1	REAL300000385554	0	41	-2.0	-128.03	359.52	6.17	-121.86
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)=C1	REAL300000385555	1	43	-2.0	-126.89	356.45	8.79	-118.10
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1OC	REAL300000385556	0	42	-2.0	-129.33	352.88	6.21	-123.12
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000385557	1	43	-2.0	-132.19	368.91	3.66	-128.53
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1	REAL300000385558	0	37	-2.0	-133.34	330.34	6.72	-126.62
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1OC	REAL300000385559	0	42	-2.0	-139.62	360.06	6.76	-132.86
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)=C1	REAL300000385560	0	47	-2.0	-132.68	389.32	7.34	-125.34
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)=C1	REAL300000385561	0	38	-2.0	-133.51	351.37	8.38	-125.13
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=C1	REAL300000385562	0	41	-2.0	-129.35	355.87	6.36	-122.99
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1	REAL300000385563	1	38	-2.0	-128.99	339.84	6.02	-122.97
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1	REAL300000385564	0	37	-2.0	-138.47	330.00	5.63	-132.84
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=C1	REAL300000385565	0	39	-2.0	-149.83	345.11	4.84	-144.99
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=C1	REAL300000385566	0	41	-2.0	-129.51	341.08	8.40	-121.11
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)=C1	REAL300000385567	1	38	-2.0	-128.88	328.60	4.15	-124.73
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385568	0	34	-2.0	-125.99	317.86	2.30	-123.69
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])N=CN1	REAL300000385569	0	34	-2.0	-136.92	299.67	4.54	-132.38
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1	REAL300000385571	0	37	-2.0	-126.69	334.28	6.81	-119.88
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=C1	REAL300000385572	0	44	-2.0	-131.37	372.10	6.84	-124.53
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)=C1	REAL300000385573	1	52	-2.0	-133.07	414.68	10.35	-122.72
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1	REAL300000385574	0	31	-2.0	-124.25	306.40	5.97	-118.28
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1	REAL300000385575	0	44	-2.0	-127.86	374.58	7.09	-120.77
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1	REAL300000385576	0	38	-2.0	-133.89	338.69	7.55	-126.34
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)=C1	REAL300000385577	1	47	-2.0	-138.96	390.39	4.84	-134.12
COC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000385578	0	43	-2.0	-157.51	366.04	7.63	-149.88
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385579	1	43	-2.0	-132.25	364.98	8.65	-123.60
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385580	0	40	-2.0	-119.83	355.85	4.84	-114.99
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=C1	REAL300000385581	0	35	-2.0	-129.97	325.09	6.79	-123.18
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=C1	REAL300000385582	0	41	-2.0	-128.35	346.26	5.97	-122.38
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000385583	0	38	-2.0	-113.45	357.03	7.78	-105.67
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC=C2C)=C1	REAL300000385585	1	40	-2.0	-129.72	330.73	8.05	-121.67
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=C1	REAL300000385586	0	43	-2.0	-120.28	347.43	6.34	-113.94
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=C1	REAL300000385587	0	43	-2.0	-132.25	372.06	6.16	-126.09
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1	REAL300000385588	0	41	-2.0	-127.49	349.08	5.54	-121.95
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)=C1	REAL300000385589	0	39	-2.0	-118.01	351.51	6.25	-111.76
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=C1	REAL300000385590	0	45	-2.0	-127.39	374.85	7.25	-120.14
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=C1	REAL300000385591	0	36	-2.0	-109.71	339.59	7.18	-102.53
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=C1	REAL300000385592	1	37	-2.0	-118.33	346.04	7.51	-110.82
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1	REAL300000385593	1	37	-2.0	-128.49	328.57	7.25	-121.24
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1	REAL300000385594	0	34	-2.0	-125.25	321.96	6.80	-118.45
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1	REAL300000385595	0	34	-2.0	-118.97	332.33	6.54	-112.43
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385596	0	37	-2.0	-121.94	321.73	4.71	-117.23
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2C)=C1	REAL300000385598	1	40	-2.0	-130.57	333.06	7.74	-122.83
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1	REAL300000385599	0	37	-2.0	-127.53	328.30	7.44	-120.09
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385600	1	45	-2.0	-140.27	385.17	8.47	-131.80
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)=C1	REAL300000385602	1	44	-2.0	-132.60	380.83	8.12	-124.48
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)=C1	REAL300000385604	0	39	-2.0	-121.50	357.78	7.06	-114.44
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000385605	1	43	-2.0	-129.72	378.99	8.08	-121.64
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=C1	REAL300000385606	0	35	-2.0	-126.53	333.21	7.28	-119.25
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1	REAL300000385607	0	34	-2.0	-126.51	320.56	6.66	-119.85
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1	REAL300000385608	1	41	-2.0	-132.38	349.82	8.54	-123.84
COC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=CS1	REAL300000385609	0	35	-2.0	-132.63	322.83	4.88	-127.75
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=C1	REAL300000385610	0	37	-2.0	-124.11	332.23	7.88	-116.23
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385611	0	40	-2.0	-123.97	365.54	6.74	-117.23
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1	REAL300000385612	0	41	-2.0	-134.74	355.28	8.60	-126.14
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1	REAL300000385613	0	44	-2.0	-125.70	365.38	7.04	-118.66
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385614	0	43	-2.0	-124.11	360.52	6.33	-117.78
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000385615	1	43	-2.0	-134.90	371.90	3.95	-130.95
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)=C1	REAL300000385617	0	37	-2.0	-137.76	354.52	2.93	-134.83
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=C1	REAL300000385618	0	39	-2.0	-140.83	344.17	4.79	-136.04
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])O1	REAL300000385619	0	37	-2.0	-129.73	326.64	6.03	-123.70
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1	REAL300000385620	0	34	-2.0	-120.87	324.43	5.65	-115.22
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385621	0	38	-2.0	-122.67	341.51	6.35	-116.32
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)=C1	REAL300000385622	0	48	-2.0	-128.75	398.90	5.57	-123.18
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=C1	REAL300000385623	1	40	-2.0	-130.52	353.80	7.97	-122.55
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300000385624	1	38	-2.0	-129.29	339.84	6.02	-123.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000385626	0	35	-2.0	-125.59	324.35	4.88	-120.71
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)=C1	REAL300000385627	0	45	-2.0	-149.10	371.99	8.73	-140.37
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300000385629	0	37	-2.0	-127.28	340.24	5.14	-122.14
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385630	1	44	-2.0	-132.31	377.51	7.12	-125.19
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)=C1	REAL300000385631	0	37	-2.0	-122.58	352.24	5.89	-116.69
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)=C1	REAL300000385632	0	44	-2.0	-126.23	380.24	7.63	-118.60
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1	REAL300000385633	0	47	-2.0	-127.25	386.97	7.38	-119.87
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300000385634	1	45	-2.0	-126.71	390.86	9.34	-117.37
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1	REAL300000385635	1	37	-2.0	-129.20	321.13	7.40	-121.80
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385636	1	46	-2.0	-137.72	395.93	9.36	-128.36
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1	REAL300000385637	0	37	-2.0	-136.31	327.56	6.79	-129.52
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1	REAL300000385638	1	36	-2.0	-131.68	331.53	5.83	-125.85
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=N1	REAL300000385639	0	36	-2.0	-126.58	321.28	3.30	-123.28
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1Cl	REAL300000385640	0	37	-2.0	-121.72	342.23	5.35	-116.37
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=C1	REAL300000385641	0	36	-2.0	-123.20	341.58	5.71	-117.49
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1	REAL300000385642	0	31	-2.0	-122.13	300.31	5.04	-117.09
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=C1	REAL300000385643	1	39	-2.0	-139.03	353.76	7.40	-131.63
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)=C1	REAL300000385644	1	43	-2.0	-141.16	359.34	9.28	-131.88
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1	REAL300000385646	0	34	-2.0	-123.57	328.08	7.05	-116.52
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])O1	REAL300000385647	0	40	-2.0	-143.27	364.20	2.72	-140.55
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)=C1	REAL300000385648	0	44	-2.0	-132.96	376.92	7.80	-125.16
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1	REAL300000385650	0	38	-2.0	-130.34	344.39	7.75	-122.59
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)=C1	REAL300000385651	0	37	-2.0	-120.60	364.99	6.06	-114.54
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)C=NS2)=C1	REAL300000385653	0	30	-2.0	-116.25	304.49	4.85	-111.40
CC1=COC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385654	0	34	-2.0	-128.60	305.15	5.10	-123.50
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1	REAL300000385655	1	44	-2.0	-128.57	387.25	8.33	-120.24
COC1=CSC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1OC	REAL300000385656	0	39	-2.0	-127.07	353.53	4.45	-122.62
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1	REAL300000385657	0	35	-2.0	-90.49	333.81	5.05	-85.44
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1	REAL300000385657	1	34	-3.0	-191.47	337.14	5.46	-186.01
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1	REAL300000385658	0	33	-2.0	-112.18	318.21	5.07	-107.11
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=C1	REAL300000385659	1	38	-2.0	-127.63	346.08	6.08	-121.55
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=C1	REAL300000385660	0	40	-2.0	-128.35	343.96	6.44	-121.91
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=C1	REAL300000385661	1	41	-2.0	-138.63	354.30	8.20	-130.43
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=C1	REAL300000385662	0	37	-2.0	-129.48	331.05	7.81	-121.67
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1	REAL300000385663	0	31	-2.0	-116.37	325.63	6.53	-109.84
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=C1	REAL300000385664	0	34	-2.0	-121.22	320.42	4.48	-116.74
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385665	0	47	-2.0	-132.01	392.74	8.82	-123.19
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000385666	1	39	-2.0	-126.39	353.13	7.11	-119.28
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)=C1	REAL300000385667	1	45	-2.0	-131.80	390.81	9.35	-122.45
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=C1	REAL300000385668	0	40	-2.0	-139.61	337.79	8.25	-131.36
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C1	REAL300000385669	0	32	-2.0	-125.73	304.72	4.89	-120.84
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1	REAL300000385670	1	39	-2.0	-124.13	355.43	5.02	-119.11
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=C1	REAL300000385671	0	35	-2.0	-129.79	342.06	5.22	-124.57
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000385672	0	43	-2.0	-132.01	381.53	5.51	-126.50
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])S1	REAL300000385672	1	42	-3.0	-203.96	378.23	4.38	-199.58
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)=C1	REAL300000385673	0	36	-2.0	-116.80	328.31	5.82	-110.98
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385674	1	45	-2.0	-133.76	383.92	8.05	-125.71
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(C2CC2)=N1	REAL300000385675	0	44	-2.0	-130.00	377.38	7.23	-122.77
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)=C1	REAL300000385676	0	38	-2.0	-133.48	338.60	5.78	-127.70
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=C1	REAL300000385677	1	40	-2.0	-128.15	363.23	9.21	-118.94
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)NC(=O)NC2=O)=C1	REAL300000385678	1	37	-2.0	-132.23	323.65	2.16	-130.07
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385680	0	47	-2.0	-126.88	388.46	7.58	-119.30
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300000385681	0	31	-2.0	-123.70	299.32	4.93	-118.77
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1	REAL300000385682	0	31	-2.0	-121.72	309.38	5.95	-115.77
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385683	0	48	-2.0	-137.54	405.39	6.72	-130.82
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300000385684	0	40	-2.0	-133.45	359.41	9.26	-124.19
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=C1	REAL300000385685	0	42	-2.0	-125.29	352.84	4.18	-121.11
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1	REAL300000385686	1	41	-2.0	-132.34	344.13	8.60	-123.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(C)=N1	REAL300000385690	1	40	-2.0	-121.37	343.41	3.87	-117.50
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385691	0	40	-2.0	-134.30	347.98	4.26	-130.04
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385692	0	37	-2.0	-126.53	343.28	4.11	-122.42
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1C	REAL300000385693	0	40	-2.0	-123.52	347.90	3.84	-119.68
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=C1	REAL300000385694	0	43	-2.0	-125.72	363.55	6.58	-119.14
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1C(=O)[O-]	REAL300000385695	0	43	-2.0	-127.72	364.14	6.17	-121.55
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1	REAL300000385696	0	33	-2.0	-124.46	327.90	4.42	-120.04
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C1	REAL300000385697	0	32	-2.0	-128.18	303.55	4.84	-123.34
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C1	REAL300000385698	0	32	-2.0	-123.80	312.62	5.78	-118.02
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C(C)C)=C1	REAL300000385699	0	40	-2.0	-123.47	342.27	5.69	-117.78
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C1C	REAL300000385700	0	42	-2.0	-120.62	367.36	5.80	-114.82
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000385701	0	44	-2.0	-108.30	373.89	8.84	-99.46
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000385701	1	43	-3.0	-197.05	375.15	8.88	-188.17
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])=C1	REAL300000385702	0	37	-2.0	-132.94	342.25	8.28	-124.66
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1	REAL300000385703	0	41	-2.0	-122.35	352.77	6.55	-115.80
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300000385704	0	41	-2.0	-130.79	354.32	7.59	-123.20
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=NN1C(C)C	REAL300000385706	0	43	-2.0	-125.87	363.65	6.23	-119.64
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000385707	1	41	-2.0	-135.12	360.49	8.63	-126.49
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1	REAL300000385708	0	36	-2.0	-124.43	327.93	5.46	-118.97
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=C1	REAL300000385709	0	34	-2.0	-127.48	339.22	2.63	-124.85
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000385711	1	41	-2.0	-132.93	362.09	8.67	-124.26
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1	REAL300000385712	0	38	-2.0	-132.11	351.02	6.90	-125.21
CC1=CC(C)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000385713	0	44	-2.0	-100.79	372.52	8.81	-91.98
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000385713	1	43	-3.0	-212.23	373.13	8.86	-203.37
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300000385714	1	35	-2.0	-130.94	311.60	3.58	-127.36
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1	REAL300000385715	0	37	-2.0	-138.81	340.22	7.42	-131.39
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000385716	0	30	-2.0	-117.80	286.24	4.03	-113.77
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000385717	0	38	-2.0	-142.90	348.46	5.70	-137.20
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1	REAL300000385718	1	41	-2.0	-138.25	356.39	8.73	-129.52
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2Cl)=C1	REAL300000385719	0	37	-2.0	-127.51	347.61	8.04	-119.47
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=C1	REAL300000385720	0	41	-2.0	-130.26	368.47	7.49	-122.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C(C(F)F)=C1	REAL300000385721	1	41	-2.0	-132.86	350.37	7.00	-125.86
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)=C1	REAL300000385722	0	42	-2.0	-148.83	358.30	7.60	-141.23
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000385723	0	39	-3.0	-192.13	347.82	6.90	-185.23
CCC1=C(S(=O)(=O)NC2=CC(C)=CC(C)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000385723	1	40	-2.0	-97.67	349.52	6.48	-91.19
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385724	0	47	-2.0	-140.58	389.66	8.41	-132.17
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])C=C(Cl)S1	REAL300000385725	0	34	-2.0	-119.30	327.11	6.81	-112.49
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000385726	0	30	-2.0	-123.17	287.15	3.54	-119.63
CC1=CC(C)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1	REAL300000385727	0	41	-2.0	-128.31	346.30	5.75	-122.56
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2C(=O)[O-])=C1	REAL300000385728	0	37	-2.0	-135.91	327.48	7.16	-128.75
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000385729	0	37	-2.0	-87.19	353.71	1.19	-86.00
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000385730	0	30	-2.0	-102.36	301.80	2.62	-99.74
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1O	REAL300000385731	0	38	-2.0	-105.22	356.88	3.69	-101.53
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=C1	REAL300000385732	0	30	-2.0	-101.85	313.68	3.33	-98.52
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000385733	0	30	-2.0	-93.64	297.23	2.61	-91.03
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000385734	0	30	-2.0	-106.56	297.26	2.60	-103.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1O	REAL300000385735	0	34	-2.0	-112.30	325.40	2.40	-109.90
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000385736	0	30	-2.0	-100.31	313.51	3.08	-97.23
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000385737	0	34	-2.0	-93.14	328.71	3.90	-89.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C1C(=O)[O-]	REAL300000385738	0	33	-2.0	-105.77	313.24	3.14	-102.63
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000385739	0	30	-2.0	-102.46	310.33	3.16	-99.30
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000385740	0	30	-2.0	-100.73	309.77	2.99	-97.74
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000385741	0	30	-2.0	-98.16	322.82	3.56	-94.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)=C1C	REAL300000385742	0	36	-2.0	-110.49	329.93	3.94	-106.55
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000385743	0	30	-2.0	-103.87	302.72	2.66	-101.21
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000385744	0	36	-2.0	-92.59	340.84	4.18	-88.41
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000385745	0	27	-2.0	-101.01	290.45	1.62	-99.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1O	REAL300000385746	0	33	-2.0	-108.34	312.67	3.39	-104.95
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000385747	0	34	-2.0	-91.93	328.33	2.88	-89.05
CN1C=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C1C(=O)[O-]	REAL300000385748	0	31	-2.0	-104.73	303.91	1.95	-102.78
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1O	REAL300000385749	0	34	-2.0	-109.11	321.03	1.44	-107.67
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)=C1	REAL300000385750	0	30	-2.0	-96.10	306.37	2.28	-93.82
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C1C(=O)[O-]	REAL300000385751	0	36	-2.0	-109.61	328.71	3.92	-105.69
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000385752	0	27	-2.0	-100.92	288.90	1.63	-99.29
COC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)=CC(C(=O)[O-])=C1OC	REAL300000385753	0	38	-2.0	-107.02	355.59	2.41	-104.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C1C(=O)[O-]	REAL300000385754	0	34	-2.0	-110.55	324.55	2.67	-107.88
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000385755	0	40	-2.0	-112.08	352.49	5.23	-106.85
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1O	REAL300000385756	0	39	-2.0	-110.41	351.12	4.63	-105.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1O	REAL300000385757	0	36	-2.0	-106.98	327.38	4.32	-102.66
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1O	REAL300000385758	0	37	-2.0	-111.93	347.67	3.16	-108.77
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000385759	0	32	-3.0	-180.36	325.66	3.17	-177.19
N#CC1=CC=C(O)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000385759	1	33	-2.0	-109.88	325.69	3.12	-106.76
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000385760	0	37	-2.0	-112.42	341.50	4.50	-107.92
CC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000385761	0	30	-2.0	-101.27	300.27	1.75	-99.52
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000385762	0	36	-2.0	-109.69	339.43	2.37	-107.32
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)=C1	REAL300000385763	0	34	-2.0	-104.65	326.17	1.69	-102.96
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000385764	0	38	-2.0	-91.85	350.18	3.20	-88.65
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000385765	0	30	-2.0	-96.10	324.94	3.44	-92.66
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000385766	0	30	-2.0	-99.37	314.85	3.20	-96.17
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000385767	0	34	-2.0	-90.38	344.37	3.42	-86.96
CC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)=CC=C1OCC(=O)[O-]	REAL300000385768	0	37	-2.0	-92.42	348.42	3.58	-88.84
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000385769	0	40	-2.0	-91.05	377.01	3.84	-87.21
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1O	REAL300000385770	0	33	-2.0	-98.84	317.96	3.42	-95.42
CC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)=CC=C1OCCCC(=O)[O-]	REAL300000385771	0	43	-2.0	-92.39	390.85	4.51	-87.88
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000385772	0	34	-2.0	-91.38	334.56	2.94	-88.44
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C1C(=O)[O-]	REAL300000385773	0	37	-2.0	-111.23	346.45	3.57	-107.66
CC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C(C(=O)[O-])S1	REAL300000385774	0	30	-2.0	-104.59	306.96	2.48	-102.11
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000385775	0	30	-2.0	-96.16	325.48	3.63	-92.53
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000385776	0	30	-2.0	-90.97	310.31	3.17	-87.80
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=C1	REAL300000385777	0	30	-2.0	-90.58	313.66	3.31	-87.27
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000385778	0	30	-2.0	-93.10	301.78	2.64	-90.46
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000385779	0	27	-2.0	-95.16	289.51	1.72	-93.44
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000385780	0	30	-2.0	-96.01	303.67	2.66	-93.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)=C1F	REAL300000385781	0	33	-2.0	-105.26	323.00	3.30	-101.96
COC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000385782	0	34	-2.0	-95.61	337.59	3.23	-92.38
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000385783	0	30	-2.0	-92.56	302.72	2.67	-89.89
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000385784	0	30	-2.0	-91.12	309.75	3.00	-88.12
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1O	REAL300000385785	0	33	-2.0	-100.54	326.70	3.79	-96.75
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000385786	0	38	-2.0	-89.98	360.99	4.01	-85.97
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000385787	0	30	-2.0	-90.69	313.49	3.10	-87.59
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000385788	0	30	-2.0	-95.68	308.08	2.69	-92.99
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000385789	0	32	-2.0	-90.49	325.45	3.26	-87.23
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000385790	0	31	-2.0	-107.43	306.97	0.30	-107.13
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000385791	0	33	-2.0	-97.53	319.44	3.38	-94.15
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000385792	0	30	-2.0	-97.11	317.97	3.13	-93.98
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1O	REAL300000385793	0	33	-2.0	-100.39	307.30	3.23	-97.16
CC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)=CC(C(=O)[O-])=C1F	REAL300000385794	0	33	-2.0	-103.70	322.11	3.25	-100.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1O	REAL300000385795	0	33	-2.0	-94.32	312.67	3.37	-90.95
CC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)=CC(C(=O)[O-])=C1C	REAL300000385796	0	36	-2.0	-109.44	330.71	3.68	-105.76
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000385797	0	32	-2.0	-103.37	323.83	3.69	-99.68
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000385798	0	30	-2.0	-95.31	309.01	2.72	-92.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C(C)=C1C(=O)[O-]	REAL300000385799	0	36	-2.0	-105.03	330.81	4.01	-101.02
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C1C(=O)[O-]	REAL300000385800	0	33	-2.0	-106.15	322.54	3.29	-102.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)=C1Cl	REAL300000385801	0	33	-2.0	-104.19	329.00	3.75	-100.44
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)=C1	REAL300000385802	0	33	-2.0	-108.41	322.29	3.29	-105.12
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C1C(=O)[O-]	REAL300000385803	0	36	-2.0	-106.43	331.56	3.79	-102.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C1CC(=O)[O-]	REAL300000385804	0	37	-2.0	-107.34	347.73	2.72	-104.62
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1O	REAL300000385805	0	33	-2.0	-94.26	323.51	3.79	-90.47
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000385806	0	33	-2.0	-90.11	327.38	3.41	-86.70
CC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000385807	0	33	-2.0	-102.38	328.49	3.56	-98.82
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000385808	0	30	-2.0	-97.78	318.56	3.20	-94.58
CCN1C=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C1C(=O)[O-]	REAL300000385809	0	34	-2.0	-106.01	325.19	2.81	-103.20
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C(C)=C1CC(=O)[O-]	REAL300000385810	0	42	-2.0	-103.93	362.40	5.47	-98.46
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000385811	0	30	-2.0	-94.27	322.87	3.16	-91.11
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C1C(=O)[O-]	REAL300000385812	0	33	-2.0	-100.95	331.02	3.66	-97.29
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C(C(=O)[O-])S1	REAL300000385813	0	39	-2.0	-104.49	346.72	4.73	-99.76
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C1C(=O)[O-]	REAL300000385814	0	34	-2.0	-108.10	337.55	3.24	-104.86
CC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000385815	0	33	-2.0	-93.80	313.29	3.14	-90.66
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000385816	0	35	-2.0	-97.25	340.51	4.79	-92.46
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1O	REAL300000385817	0	33	-2.0	-106.26	316.82	3.44	-102.82
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000385818	0	32	-2.0	-110.29	320.98	4.45	-105.84
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000385819	0	30	-2.0	-107.63	300.88	2.63	-105.00
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C1C(=O)[O-]	REAL300000385820	0	33	-2.0	-99.14	322.24	3.26	-95.88
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000385821	0	36	-2.0	-112.70	338.30	4.72	-107.98
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000385822	0	29	-2.0	-104.23	294.23	0.66	-103.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1O	REAL300000385823	0	34	-2.0	-97.72	325.45	2.40	-95.32
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000385824	0	27	-2.0	-93.99	297.36	1.57	-92.42
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000385825	0	37	-2.0	-100.78	343.38	4.49	-96.29
N#CC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000385826	0	37	-2.0	-101.32	341.34	4.47	-96.85
CCC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000385827	0	33	-2.0	-101.38	319.38	2.59	-98.79
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Cl)=C1	REAL300000385837	1	28	-2.0	-94.43	299.80	5.76	-88.67
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Cl)=C1	REAL300000385839	1	25	-2.0	-91.87	287.51	4.71	-87.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Cl)=C1	REAL300000385844	1	28	-2.0	-88.15	303.46	5.37	-82.78
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=C(F)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000385851	0	31	-2.0	-105.29	322.14	6.19	-99.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Cl)S1	REAL300000385862	1	25	-2.0	-87.16	286.58	4.82	-82.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Cl)=C1F	REAL300000385864	1	31	-2.0	-95.55	320.07	6.39	-89.16
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=C(F)C=C2Cl)=C1	REAL300000385870	0	29	-2.0	-104.14	298.46	3.77	-100.37
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Cl)=C1	REAL300000385877	1	28	-2.0	-86.49	306.06	5.82	-80.67
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Cl)C=C1C(=O)[O-]	REAL300000385879	1	31	-2.0	-95.22	315.80	6.29	-88.93
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Cl)=C1	REAL300000385881	1	31	-2.0	-101.06	319.40	6.38	-94.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Cl)=C1[N+](=O)[O-]	REAL300000385890	1	30	-2.0	-103.72	318.05	7.54	-96.18
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Cl)=C1F	REAL300000385891	1	28	-2.0	-100.66	297.96	5.72	-94.94
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Cl)=C1	REAL300000385894	0	27	-2.0	-94.62	291.33	3.75	-90.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Cl)=C(Cl)O1	REAL300000385896	1	25	-2.0	-86.00	294.46	4.66	-81.34
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CC2CCC2)C2=CC=CC=C2)=C1	REAL300000385924	0	44	-2.0	-116.37	382.90	9.67	-106.70
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CC2CCC2)C2=CC=CC=C2)=C1	REAL300000385944	0	42	-2.0	-110.02	351.00	7.66	-102.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(F)F)C=C1	REAL300000385978	0	39	-2.0	-113.39	358.21	5.34	-108.05
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=C1	REAL300000385981	0	35	-2.0	-106.78	343.14	6.11	-100.67
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=C1	REAL300000385984	0	35	-2.0	-108.31	335.55	5.61	-102.70
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=C1	REAL300000385986	0	32	-2.0	-102.53	323.25	4.56	-97.97
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000385989	1	36	-2.0	-106.64	336.72	4.90	-101.74
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=C1	REAL300000385991	0	35	-2.0	-101.09	339.20	5.23	-95.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=CS1	REAL300000385993	1	32	-2.0	-106.35	321.72	4.58	-101.77
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000385998	0	35	-2.0	-102.21	333.10	4.68	-97.53
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=C1	REAL300000385999	0	39	-2.0	-111.52	359.03	4.63	-106.89
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC(F)F)C=C1	REAL300000386000	1	38	-2.0	-99.71	350.78	6.36	-93.35
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000386001	1	35	-2.0	-105.51	338.70	5.42	-100.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)C(Cl)=C1	REAL300000386002	1	35	-2.0	-95.74	343.12	6.10	-89.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)S1	REAL300000386004	0	32	-2.0	-97.58	322.33	4.66	-92.92
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=C1	REAL300000386005	1	35	-2.0	-101.52	336.47	5.61	-95.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=C1F	REAL300000386006	0	38	-2.0	-109.72	355.83	6.25	-103.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)C(F)=C1	REAL300000386007	0	35	-2.0	-97.50	335.53	5.61	-91.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=CC(F)=C1F	REAL300000386009	1	35	-2.0	-99.71	340.89	5.64	-94.07
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=C1	REAL300000386010	0	36	-2.0	-107.87	339.78	3.25	-104.62
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OCC(F)F)C=C2)=C1	REAL300000386010	1	36	-2.0	-109.95	338.97	4.05	-105.90
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=C1	REAL300000386016	0	35	-2.0	-99.78	341.83	5.67	-94.11
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000386018	0	38	-2.0	-109.46	351.55	6.14	-103.32
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=C1	REAL300000386019	0	38	-2.0	-114.86	355.08	6.23	-108.63
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000386021	1	39	-2.0	-107.88	358.09	5.76	-102.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=C1F	REAL300000386024	0	35	-2.0	-112.27	333.72	5.58	-106.69
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=C1	REAL300000386026	0	34	-2.0	-108.31	326.28	3.66	-104.65
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC(F)F)C=C1	REAL300000386027	0	39	-2.0	-100.06	358.27	5.34	-94.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)=C(Cl)O1	REAL300000386028	0	32	-2.0	-96.09	330.22	4.52	-91.57
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000386031	0	38	-2.0	-102.13	352.19	5.54	-96.59
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2C1	REAL300000386032	1	39	-2.0	-108.22	355.21	5.60	-102.62
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2C1	REAL300000386033	1	39	-2.0	-98.42	349.45	5.52	-92.90
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2C1	REAL300000386034	1	39	-2.0	-110.57	349.12	5.48	-105.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CN(C(C)=O)CC2=C1	REAL300000386035	0	43	-2.0	-115.32	377.26	5.28	-110.04
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2C1	REAL300000386036	1	43	-2.0	-97.78	380.91	6.81	-90.97
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2C1	REAL300000386037	1	42	-2.0	-111.78	366.70	6.11	-105.67
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2C1	REAL300000386038	0	39	-2.0	-105.69	362.54	6.09	-99.60
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2C1	REAL300000386039	1	39	-2.0	-106.55	363.18	5.97	-100.58
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2C1	REAL300000386040	1	45	-2.0	-113.07	383.35	6.92	-106.15
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2C1	REAL300000386041	0	39	-2.0	-107.46	356.15	5.64	-101.82
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2C1	REAL300000386042	1	45	-2.0	-96.88	393.03	7.10	-89.78
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2C1	REAL300000386043	0	36	-2.0	-105.02	343.86	4.59	-100.43
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2C1	REAL300000386044	1	42	-2.0	-110.88	364.90	6.30	-104.58
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2C1	REAL300000386046	0	40	-2.0	-108.97	355.76	4.82	-104.15
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2C1	REAL300000386048	0	39	-2.0	-101.07	358.23	5.16	-95.91
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2C1	REAL300000386050	0	36	-2.0	-106.47	342.32	4.61	-101.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CN(C(C)=O)CC2=C1	REAL300000386052	1	45	-2.0	-109.18	380.81	7.29	-101.89
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2C1	REAL300000386053	0	39	-2.0	-104.35	353.68	4.71	-99.64
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2C1	REAL300000386054	0	43	-2.0	-112.04	379.66	4.66	-107.38
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2C1	REAL300000386055	1	42	-2.0	-101.70	370.18	6.33	-95.37
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2C1	REAL300000386056	1	39	-2.0	-107.40	360.37	5.46	-101.94
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2C1	REAL300000386057	0	39	-2.0	-95.98	363.73	6.13	-89.85
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2C1	REAL300000386058	1	39	-2.0	-98.03	355.19	5.61	-92.42
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2C1	REAL300000386059	0	36	-2.0	-99.97	341.39	4.61	-95.36
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2C1	REAL300000386060	1	39	-2.0	-101.46	355.52	5.55	-95.91
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2C1	REAL300000386061	0	42	-2.0	-108.76	374.89	6.18	-102.58
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2C1	REAL300000386062	0	39	-2.0	-97.91	356.14	5.64	-92.27
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2C1	REAL300000386063	1	39	-2.0	-96.00	363.16	5.98	-90.02
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2C1	REAL300000386064	1	39	-2.0	-99.79	360.28	5.60	-94.19
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2C1	REAL300000386065	0	40	-2.0	-109.55	359.18	3.23	-106.32
CC(=O)N1CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2C1	REAL300000386065	1	40	-2.0	-109.36	359.55	4.09	-105.27
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2C1	REAL300000386066	1	42	-2.0	-101.18	371.28	6.26	-94.92
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2C1	REAL300000386067	1	42	-2.0	-107.39	360.71	6.21	-101.18
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C2C1	REAL300000386068	1	42	-2.0	-109.56	374.30	6.16	-103.40
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C2C1	REAL300000386070	1	45	-2.0	-115.21	387.47	6.74	-108.47
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2C1	REAL300000386071	0	39	-2.0	-99.35	362.43	5.70	-93.65
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2C1	REAL300000386073	0	42	-2.0	-109.57	374.43	6.18	-103.39
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2C1	REAL300000386074	0	42	-2.0	-116.09	374.50	6.20	-109.89
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CN(C(C)=O)CC3=C2)C=C1C(=O)[O-]	REAL300000386075	1	45	-2.0	-112.35	383.69	6.69	-105.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CN(C(C)=O)CC3=C2)C=C1C(=O)[O-]	REAL300000386076	0	43	-2.0	-110.46	378.70	5.79	-104.67
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2C1	REAL300000386077	1	42	-2.0	-98.51	365.47	6.06	-92.45
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2C1	REAL300000386079	0	39	-2.0	-115.33	352.78	5.52	-109.81
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2C1	REAL300000386080	1	42	-2.0	-103.43	375.61	6.25	-97.18
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2C1	REAL300000386081	0	38	-2.0	-106.94	346.10	3.53	-103.41
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CN(C(C)=O)CC2=C1	REAL300000386082	0	43	-2.0	-102.48	377.67	5.31	-97.17
CC(=O)N1CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2C1	REAL300000386083	0	36	-2.0	-98.26	349.61	4.49	-93.77
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CN(C(C)=O)CC3=C2)C=C(C(=O)[O-])O1	REAL300000386084	0	42	-2.0	-104.12	372.81	5.56	-98.56
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000386085	1	32	-2.0	-103.09	325.43	6.51	-96.58
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300000386086	1	32	-2.0	-93.23	320.87	6.49	-86.74
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000386087	1	32	-2.0	-105.56	320.88	6.47	-99.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC)C(Cl)=C1	REAL300000386088	0	36	-2.0	-107.31	349.03	6.26	-101.05
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1Cl	REAL300000386089	1	36	-2.0	-92.99	352.34	7.77	-85.22
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000386090	1	35	-2.0	-107.98	340.95	7.11	-100.87
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1Cl	REAL300000386091	0	32	-2.0	-101.83	333.96	7.05	-94.78
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000386092	1	32	-2.0	-101.45	333.39	6.87	-94.58
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1Cl	REAL300000386093	1	38	-2.0	-105.00	353.56	7.82	-97.18
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000386094	0	32	-2.0	-103.32	326.36	6.54	-96.78
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300000386095	1	38	-2.0	-92.15	364.46	8.06	-84.09
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000386096	0	29	-2.0	-99.67	314.07	5.50	-94.17
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1Cl	REAL300000386097	1	35	-2.0	-107.34	336.32	7.26	-100.08
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000386099	0	33	-2.0	-103.93	327.53	5.83	-98.10
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1Cl	REAL300000386101	0	32	-2.0	-93.05	330.00	6.15	-86.90
CSC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000386103	0	29	-2.0	-101.07	312.54	5.52	-95.55
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1Cl	REAL300000386105	1	41	-2.0	-105.08	374.79	8.49	-96.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC)C(Cl)=C1	REAL300000386106	1	38	-2.0	-105.93	351.03	8.19	-97.74
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1Cl	REAL300000386107	1	39	-2.0	-106.95	365.15	8.38	-98.57
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000386108	0	32	-2.0	-100.06	323.90	5.61	-94.45
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000386109	0	36	-2.0	-103.60	349.87	5.56	-98.04
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1Cl	REAL300000386110	1	35	-2.0	-93.81	341.59	7.29	-86.52
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300000386111	0	32	-2.0	-103.64	329.48	6.37	-97.27
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1Cl	REAL300000386112	0	32	-2.0	-88.16	333.94	7.04	-81.12
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000386113	1	32	-2.0	-92.75	325.41	6.52	-86.23
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000386114	0	29	-2.0	-94.66	313.15	5.60	-89.06
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000386115	1	32	-2.0	-93.39	327.29	6.54	-86.85
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1Cl	REAL300000386116	0	35	-2.0	-100.64	346.65	7.18	-93.46
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000386117	0	32	-2.0	-89.80	326.35	6.55	-83.25
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000386118	1	32	-2.0	-90.77	333.38	6.88	-83.89
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000386119	1	32	-2.0	-94.69	331.70	6.57	-88.12
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000386120	0	33	-2.0	-106.54	330.60	4.18	-102.36
CSC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000386120	1	33	-2.0	-102.37	329.69	5.06	-97.31
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000386121	1	35	-2.0	-96.90	343.06	7.25	-89.65
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000386122	1	35	-2.0	-101.26	330.96	7.12	-94.14
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000386123	1	35	-2.0	-104.43	345.73	7.13	-97.30
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000386125	1	38	-2.0	-108.62	353.77	7.55	-101.07
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1Cl	REAL300000386126	0	32	-2.0	-91.21	332.64	6.60	-84.61
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1Cl	REAL300000386128	0	35	-2.0	-104.38	342.36	7.08	-97.30
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000386129	0	35	-2.0	-107.40	345.92	7.17	-100.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000386130	1	38	-2.0	-107.39	355.13	7.66	-99.73
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000386131	0	36	-2.0	-105.14	348.91	6.70	-98.44
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1Cl	REAL300000386132	1	35	-2.0	-93.38	336.89	7.02	-86.36
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1Cl	REAL300000386133	1	35	-2.0	-104.75	340.84	7.29	-97.46
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000386134	0	32	-2.0	-108.89	324.50	6.50	-102.39
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000386135	1	35	-2.0	-98.17	345.82	7.16	-91.01
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000386136	0	31	-2.0	-99.07	317.87	4.53	-94.54
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(Cl)=C1	REAL300000386137	0	36	-2.0	-94.46	349.08	6.27	-88.19
CSC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000386138	0	29	-2.0	-93.54	321.04	5.45	-88.09
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1Cl	REAL300000386139	1	39	-2.0	-96.68	367.01	8.37	-88.31
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1Cl	REAL300000386140	1	39	-2.0	-100.46	366.32	8.37	-92.09
CCC1=C(S(=O)(=O)[N-]C2=CC=C(SC)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000386141	0	35	-2.0	-100.09	343.02	6.46	-93.63
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(F)C=CC=C2Br)=C1	REAL300000386158	0	29	-2.0	-111.93	290.51	3.73	-108.20
CC(C)N1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000386168	1	43	-2.0	-110.06	380.24	8.94	-101.12
CC(C)N1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000386169	0	43	-2.0	-125.07	380.28	8.92	-116.15
CC(C)N1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000386170	0	40	-2.0	-118.80	373.46	7.94	-110.86
CC(C)N1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000386171	0	44	-2.0	-122.96	386.93	8.29	-114.67
CC(C)N1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000386172	0	40	-2.0	-120.26	371.93	7.96	-112.30
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2C(C)C)C=C(C(=O)[O-])O1	REAL300000386173	0	43	-2.0	-116.91	383.28	8.06	-108.85
CC(C)N1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000386174	0	40	-2.0	-111.48	372.53	8.05	-103.43
CC(C)N1C=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000386175	0	42	-2.0	-119.92	376.48	7.06	-112.86
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386176	1	38	-2.0	-112.80	344.73	4.49	-108.31
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386177	1	35	-2.0	-113.97	329.30	3.71	-110.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1O	REAL300000386180	0	29	-2.0	-117.93	283.02	3.33	-114.60
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=CC=C1O	REAL300000386181	0	32	-2.0	-101.69	310.45	2.77	-98.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CC=C1O	REAL300000386182	0	28	-2.0	-101.81	286.37	1.69	-100.12
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386183	1	30	-2.0	-107.49	295.35	3.45	-104.04
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386184	1	30	-2.0	-103.54	295.33	3.45	-100.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=CC=C1O	REAL300000386185	0	29	-2.0	-107.86	296.75	3.64	-104.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)=CC=C1O	REAL300000386186	0	32	-2.0	-106.62	317.11	4.95	-101.67
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386187	0	30	-2.0	-119.05	292.61	3.33	-115.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=CC=C1O	REAL300000386190	1	29	-2.0	-111.35	291.00	3.76	-107.59
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386193	0	39	-2.0	-105.38	366.17	2.07	-103.31
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386193	1	38	-3.0	-159.38	359.45	2.20	-157.18
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1O	REAL300000386194	0	32	-2.0	-110.51	309.98	3.65	-106.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=CC=C1O	REAL300000386196	0	33	-2.0	-108.23	323.82	5.14	-103.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000386198	1	34	-2.0	-109.03	321.40	4.35	-104.68
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386199	0	39	-3.0	-176.80	362.60	4.71	-172.09
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386199	1	40	-2.0	-103.88	349.57	4.48	-99.40
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386200	0	32	-2.0	-106.17	290.72	0.89	-105.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=CC=C1O	REAL300000386201	0	26	-2.0	-103.55	288.13	2.78	-100.77
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1Cl	REAL300000386202	0	35	-2.0	-107.83	334.25	5.55	-102.28
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386207	0	32	-2.0	-105.68	309.43	3.49	-102.19
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386208	0	37	-2.0	-118.54	332.25	2.13	-116.41
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386211	0	31	-2.0	-101.58	287.69	2.02	-99.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=CC=C1O	REAL300000386212	1	29	-2.0	-102.11	306.45	4.03	-98.08
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386213	0	32	-2.0	-109.13	305.45	3.62	-105.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=CC=C1O	REAL300000386214	1	29	-2.0	-101.29	287.23	3.18	-98.11
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=CC=C1O	REAL300000386215	0	29	-2.0	-107.18	304.37	4.14	-103.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=CC=C1O	REAL300000386216	1	32	-2.0	-106.97	313.24	4.06	-102.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=CC=C1O	REAL300000386219	0	32	-2.0	-114.36	300.38	4.44	-109.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)=CC=C1O	REAL300000386220	1	32	-2.0	-101.45	326.42	4.47	-96.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CC=C1O	REAL300000386221	1	29	-2.0	-107.48	291.24	3.58	-103.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)=CC=C1O	REAL300000386222	0	32	-2.0	-106.32	326.39	4.61	-101.71
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386223	1	34	-2.0	-109.81	317.26	3.55	-106.26
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386227	1	34	-2.0	-120.00	315.00	3.44	-116.56
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386229	0	35	-2.0	-123.75	319.71	4.46	-119.29
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386230	1	38	-2.0	-105.69	351.15	4.65	-101.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=CC=C1O	REAL300000386231	0	29	-2.0	-109.53	302.83	4.08	-105.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000386232	1	35	-2.0	-108.62	330.03	3.80	-104.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386236	0	35	-3.0	-183.66	331.12	3.41	-180.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386236	1	36	-2.0	-105.09	318.10	3.19	-101.90
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386237	0	36	-2.0	-110.33	341.15	4.78	-105.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=CC=C1O	REAL300000386238	0	29	-2.0	-112.00	298.13	4.37	-107.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CC=C1O	REAL300000386239	0	26	-2.0	-103.43	283.49	2.68	-100.75
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386241	0	33	-2.0	-117.53	302.76	2.85	-114.68
CC1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000386242	0	35	-2.0	-112.29	321.47	4.16	-108.13
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386243	0	40	-2.0	-118.39	358.85	1.73	-116.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=CC=C1O	REAL300000386244	0	29	-2.0	-106.34	292.57	3.25	-103.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=CC=C1O	REAL300000386245	1	29	-2.0	-102.48	307.98	4.09	-98.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=CC=C1O	REAL300000386246	0	29	-2.0	-112.11	287.64	3.62	-108.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=CC=C1O	REAL300000386247	1	29	-2.0	-107.40	295.81	3.68	-103.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CC=C1O	REAL300000386248	1	31	-2.0	-107.90	302.73	3.73	-104.17
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386249	1	34	-2.0	-106.27	318.22	4.50	-101.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=CC=C1O	REAL300000386250	1	31	-2.0	-102.21	315.19	4.10	-98.11
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=CC=C1O	REAL300000386252	0	31	-2.0	-123.33	295.60	4.48	-118.85
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386253	0	31	-3.0	-173.42	316.05	4.19	-169.23
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386253	1	32	-2.0	-101.66	318.70	4.16	-97.50
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1O	REAL300000386254	0	32	-2.0	-107.25	317.95	4.01	-103.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=CC=C1O	REAL300000386257	0	29	-2.0	-107.18	286.42	3.19	-103.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC=C1O	REAL300000386258	1	29	-2.0	-107.61	280.92	3.13	-104.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=CC=C1O	REAL300000386259	1	29	-2.0	-101.78	287.33	3.19	-98.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC=C1O	REAL300000386266	1	31	-2.0	-99.56	302.74	3.73	-95.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386268	0	29	-2.0	-110.02	288.33	2.86	-107.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=C1C	REAL300000386270	0	38	-2.0	-109.14	338.13	4.95	-104.19
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386271	0	33	-2.0	-110.62	319.51	3.37	-107.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=CC=C1O	REAL300000386273	0	31	-2.0	-114.00	312.33	4.99	-109.01
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386274	0	31	-3.0	-175.10	308.45	3.68	-171.42
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386274	1	32	-2.0	-100.20	301.63	3.25	-96.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=CC=C1O	REAL300000386275	0	26	-2.0	-102.36	297.35	3.21	-99.15
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386277	1	34	-2.0	-106.90	312.79	4.33	-102.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=CC=C1O	REAL300000386278	0	29	-2.0	-109.90	286.42	3.19	-106.71
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386279	0	38	-2.0	-106.84	353.27	5.08	-101.76
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386288	0	28	-3.0	-172.82	296.16	2.63	-170.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=CC=C1O	REAL300000386289	1	32	-2.0	-106.32	306.26	0.56	-105.76
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386291	0	35	-2.0	-108.12	320.41	4.41	-103.71
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386292	0	35	-2.0	-109.48	312.13	2.13	-107.35
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386293	1	37	-2.0	-114.86	351.14	-0.78	-115.64
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1C	REAL300000386294	1	37	-2.0	-106.43	335.51	5.07	-101.36
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386296	1	35	-2.0	-106.01	329.29	3.72	-102.29
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386297	1	36	-2.0	-110.28	330.96	1.34	-108.94
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386298	1	34	-2.0	-111.87	328.75	-1.99	-113.86
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386302	0	38	-2.0	-122.43	346.68	4.73	-117.70
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386303	1	33	-2.0	-110.14	309.03	-0.16	-110.30
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=CS1	REAL300000386307	0	32	-2.0	-120.36	314.10	3.36	-117.00
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386310	0	36	-2.0	-105.05	336.75	3.86	-101.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC=C1O	REAL300000386315	0	29	-2.0	-115.38	280.01	3.12	-112.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=C3NC(=O)CC3=C2)=CC=C1O	REAL300000386317	1	34	-2.0	-107.86	329.64	2.06	-105.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=CC=C1O	REAL300000386318	1	34	-2.0	-106.97	316.90	3.56	-103.41
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386319	0	35	-2.0	-123.55	327.36	1.64	-121.91
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)=C2N=C1	REAL300000386320	0	37	-2.0	-126.89	335.84	4.33	-122.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000386322	1	32	-2.0	-111.73	309.06	4.28	-107.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=CC=C1O	REAL300000386323	0	33	-2.0	-113.47	319.25	3.34	-110.13
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386325	1	34	-2.0	-115.96	328.77	-2.00	-117.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000386327	0	35	-2.0	-118.94	325.07	3.78	-115.16
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000386329	1	36	-2.0	-104.95	340.14	2.32	-102.63
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)=CC=C21	REAL300000386331	1	35	-2.0	-107.54	328.63	3.02	-104.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=CC=C1O	REAL300000386332	1	33	-2.0	-105.28	320.52	2.85	-102.43
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386333	1	35	-2.0	-113.04	335.23	0.58	-112.46
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386335	1	37	-2.0	-111.32	351.12	-0.77	-112.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=CC=C1O	REAL300000386336	1	39	-2.0	-113.97	344.34	6.93	-107.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=CC=C1O	REAL300000386337	1	29	-2.0	-104.42	294.04	3.69	-100.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=CC=C1O	REAL300000386338	1	41	-2.0	-117.64	360.44	2.39	-115.25
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(F)=C1	REAL300000386339	0	36	-2.0	-123.08	336.37	2.00	-121.08
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386340	1	35	-2.0	-119.41	335.23	0.57	-118.84
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1OC	REAL300000386343	0	37	-2.0	-111.25	338.72	2.33	-108.92
CN1C=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000386345	0	33	-2.0	-123.11	316.27	2.84	-120.27
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000386345	1	32	-3.0	-177.93	309.62	2.97	-174.96
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1Cl	REAL300000386346	0	29	-2.0	-117.37	291.98	2.62	-114.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(Br)=C1	REAL300000386347	1	32	-2.0	-110.95	312.41	4.41	-106.54
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000386348	1	34	-2.0	-108.84	316.46	-0.79	-109.63
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386349	0	36	-2.0	-108.70	328.98	2.45	-106.25
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386350	0	35	-2.0	-112.47	342.37	4.28	-108.19
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386358	1	34	-2.0	-99.15	318.22	4.50	-94.65
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CN1C	REAL300000386360	1	37	-2.0	-109.32	338.40	0.70	-108.62
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=N2)C=C1	REAL300000386363	0	39	-2.0	-109.17	356.48	4.84	-104.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)=CC=C1O	REAL300000386367	1	37	-2.0	-110.13	338.06	2.91	-107.22
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386368	0	31	-3.0	-168.47	312.10	3.30	-165.17
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1Cl	REAL300000386369	1	30	-2.0	-100.67	310.72	3.86	-96.81
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000386370	1	30	-2.0	-101.22	310.76	3.86	-97.36
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000386371	0	38	-2.0	-107.45	337.01	4.92	-102.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=CC=C1O	REAL300000386372	1	33	-2.0	-115.53	312.87	3.43	-112.10
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C2=CC=CN=C12	REAL300000386373	1	38	-2.0	-113.07	339.81	2.85	-110.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=CC=C1O	REAL300000386375	0	29	-2.0	-112.64	296.19	3.62	-109.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Br)=CC=C1O	REAL300000386376	1	29	-2.0	-103.71	297.40	3.82	-99.89
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386378	0	35	-2.0	-105.12	330.99	3.51	-101.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000386379	1	39	-2.0	-116.46	343.88	4.72	-111.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)=CC=C1O	REAL300000386382	0	29	-2.0	-104.11	314.84	4.87	-99.24
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386383	0	32	-2.0	-115.42	301.43	3.78	-111.64
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386384	1	32	-2.0	-106.83	296.40	3.90	-102.93
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386386	0	34	-2.0	-125.03	308.11	5.31	-119.72
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CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386391	0	37	-2.0	-127.14	335.78	4.34	-122.80
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CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1Cl	REAL300000386395	0	32	-2.0	-112.62	316.88	4.95	-107.67
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COC1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000386399	0	36	-2.0	-120.07	336.98	3.55	-116.52
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C2=CC=CN=C2C=C1	REAL300000386400	1	37	-2.0	-111.86	324.48	4.43	-107.43
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CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386408	0	41	-2.0	-107.75	358.99	5.63	-102.12
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CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386416	1	33	-2.0	-103.58	294.73	2.30	-101.28
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COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386422	0	32	-2.0	-104.06	322.40	2.82	-101.24
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CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386429	0	39	-2.0	-108.53	367.73	2.04	-106.49
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CC1=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000386430	1	32	-2.0	-106.05	292.62	2.01	-104.04
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CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386433	0	39	-2.0	-119.19	346.04	4.44	-114.75
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386435	1	45	-2.0	-109.11	385.74	4.78	-104.33
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CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000386439	1	42	-2.0	-115.96	365.74	5.64	-110.32
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CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386447	0	35	-3.0	-182.92	331.96	2.71	-180.21
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386447	1	36	-2.0	-117.56	334.01	2.77	-114.79
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O=C([O-])C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1O	REAL300000386452	0	32	-2.0	-102.23	323.24	4.19	-98.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1O	REAL300000386452	1	31	-3.0	-169.45	320.57	4.21	-165.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC=C1O	REAL300000386453	0	28	-2.0	-101.96	275.94	1.33	-100.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)=CC=C1O	REAL300000386454	0	29	-2.0	-109.84	301.31	3.75	-106.09
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386457	0	32	-2.0	-109.18	322.56	2.71	-106.47
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386458	1	37	-2.0	-104.97	332.96	5.45	-99.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=CC=C1O	REAL300000386459	1	34	-2.0	-112.25	310.67	3.48	-108.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)=CC=C1O	REAL300000386460	0	35	-2.0	-113.65	347.76	3.77	-109.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=CC=C1O	REAL300000386461	0	28	-2.0	-103.61	299.66	2.18	-101.43
CC1=CC(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=CC=C1OCC(=O)[O-]	REAL300000386462	0	39	-2.0	-110.74	360.84	4.48	-106.26
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=C12	REAL300000386464	1	37	-2.0	-105.69	340.83	2.78	-102.91
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=C12	REAL300000386465	0	33	-2.0	-101.63	314.27	0.04	-101.59
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000386466	0	29	-2.0	-100.31	290.47	1.58	-98.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=CC=C1O	REAL300000386468	0	29	-2.0	-113.67	286.30	3.18	-110.49
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(F)=C1	REAL300000386469	0	33	-2.0	-113.28	312.51	2.64	-110.64
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386470	0	35	-2.0	-117.92	336.47	4.97	-112.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=CC=C1O	REAL300000386471	0	31	-2.0	-116.20	312.32	4.99	-111.21
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386472	0	35	-2.0	-103.05	326.32	4.41	-98.64
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386472	1	34	-3.0	-168.28	323.68	4.43	-163.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=CC=C1O	REAL300000386473	0	35	-2.0	-116.40	317.64	2.71	-113.69
CC1=NC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CN1C	REAL300000386474	0	32	-2.0	-119.77	298.05	1.95	-117.82
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1F	REAL300000386475	0	36	-2.0	-106.33	342.74	3.97	-102.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=CC=C1O	REAL300000386476	0	33	-2.0	-113.07	312.53	3.11	-109.96
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386477	1	38	-2.0	-113.67	351.17	4.64	-109.03
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000386478	0	32	-2.0	-108.13	300.59	1.61	-106.52
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386479	1	41	-2.0	-105.34	372.65	5.44	-99.90
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COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386482	0	35	-2.0	-117.92	326.14	4.52	-113.40
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O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=CC=C1O	REAL300000386486	0	29	-2.0	-110.32	306.61	3.16	-107.16
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000386487	0	39	-2.0	-120.83	358.84	4.46	-116.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=CC=C1O	REAL300000386490	0	29	-2.0	-106.98	294.04	3.69	-103.29
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=C2)=CO1	REAL300000386491	1	38	-2.0	-113.67	350.90	2.13	-111.54
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COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386495	1	33	-2.0	-112.67	304.02	2.36	-110.31
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386497	0	35	-2.0	-114.32	336.12	1.28	-113.04
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386497	1	34	-3.0	-174.07	334.10	0.07	-174.00
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000386503	0	35	-2.0	-104.12	339.31	3.80	-100.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(F)=C1	REAL300000386504	0	32	-2.0	-114.83	301.43	3.79	-111.04
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1Cl	REAL300000386505	1	33	-2.0	-106.00	333.14	3.48	-102.52
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000386507	0	32	-2.0	-104.83	314.06	1.85	-102.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=CC=C1O	REAL300000386508	0	34	-2.0	-127.02	314.42	3.69	-123.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=CC=C1O	REAL300000386509	0	35	-2.0	-115.30	340.94	3.74	-111.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=CC=C1O	REAL300000386510	0	29	-2.0	-102.09	292.71	3.24	-98.85
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386511	1	41	-2.0	-110.74	362.39	1.97	-108.77
CC1=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000386512	0	32	-2.0	-107.90	314.52	3.48	-104.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000386512	1	31	-3.0	-173.80	311.57	3.51	-170.29
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386514	0	33	-2.0	-112.33	317.12	2.92	-109.41
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000386515	0	31	-2.0	-102.37	305.16	2.28	-100.09
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386516	0	35	-2.0	-119.72	333.60	0.59	-119.13
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=C21	REAL300000386521	1	40	-2.0	-131.90	353.33	4.08	-127.82
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386522	0	41	-2.0	-110.27	353.71	3.67	-106.60
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)SC=C1	REAL300000386523	0	29	-2.0	-111.51	285.28	2.69	-108.82
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386524	1	35	-2.0	-107.75	346.03	4.22	-103.53
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1C	REAL300000386525	0	38	-2.0	-109.64	333.95	3.00	-106.64
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1C	REAL300000386526	1	38	-2.0	-106.29	345.31	4.25	-102.04
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000386527	1	34	-2.0	-100.20	318.73	4.23	-95.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=CC=C1O	REAL300000386529	1	37	-2.0	-123.16	334.10	1.51	-121.65
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000386533	0	34	-2.0	-107.95	326.89	4.42	-103.53
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=C21	REAL300000386537	1	43	-2.0	-133.30	367.49	4.71	-128.59
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386538	0	33	-2.0	-112.25	312.16	3.52	-108.73
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(F)=C1	REAL300000386544	0	30	-2.0	-106.83	300.81	3.51	-103.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)=CC=C1O	REAL300000386545	0	32	-2.0	-114.21	312.96	5.10	-109.11
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=C2O1	REAL300000386546	1	34	-2.0	-108.83	318.16	0.72	-108.11
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000386547	0	35	-2.0	-108.02	319.29	2.14	-105.88
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386548	0	34	-2.0	-115.92	313.61	-0.60	-116.52
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000386550	0	35	-2.0	-113.27	333.87	1.82	-111.45
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CN1	REAL300000386551	0	35	-2.0	-119.17	318.48	1.49	-117.68
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000386552	0	32	-2.0	-113.48	316.35	4.86	-108.62
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=N1	REAL300000386554	0	38	-2.0	-112.86	346.71	4.43	-108.43
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386556	0	33	-2.0	-108.67	331.33	4.33	-104.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=CC=C1O	REAL300000386557	1	29	-2.0	-96.41	293.51	3.24	-93.17
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386558	1	40	-2.0	-108.36	356.96	4.89	-103.47
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CN1C	REAL300000386560	1	36	-2.0	-113.68	335.68	3.16	-110.52
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000386562	0	32	-2.0	-93.69	316.53	3.74	-89.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000386562	1	31	-3.0	-163.90	316.03	4.18	-159.72
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1F	REAL300000386563	0	32	-2.0	-104.95	313.97	3.53	-101.42
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386564	1	37	-2.0	-103.30	340.99	2.46	-100.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=CC=C1O	REAL300000386565	0	36	-2.0	-112.79	339.47	4.33	-108.46
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386566	0	29	-2.0	-108.72	308.70	3.42	-105.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)=CC=C1O	REAL300000386567	1	29	-2.0	-101.73	301.54	3.73	-98.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(Cl)=C1Cl	REAL300000386571	1	33	-2.0	-109.14	331.59	3.43	-105.71
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000386572	0	40	-2.0	-114.09	362.25	3.80	-110.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=CC=C1O	REAL300000386573	0	32	-2.0	-104.10	319.34	1.12	-102.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386574	0	28	-3.0	-167.34	295.25	2.75	-164.59
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386575	0	38	-2.0	-118.12	339.06	4.30	-113.82
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386576	0	32	-2.0	-103.79	311.85	3.69	-100.10
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386576	1	31	-3.0	-169.90	309.38	3.68	-166.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1F	REAL300000386577	0	34	-3.0	-176.76	328.73	4.32	-172.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=C1F	REAL300000386577	1	35	-2.0	-102.18	331.49	4.28	-97.90
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386578	1	43	-2.0	-107.75	367.33	5.12	-102.63
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CN1	REAL300000386579	1	33	-2.0	-110.92	317.91	1.40	-109.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(F)=C1	REAL300000386580	0	31	-3.0	-165.81	308.44	3.69	-162.12
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C(F)=C1	REAL300000386580	1	32	-2.0	-104.80	301.60	3.26	-101.54
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1Cl	REAL300000386581	0	32	-2.0	-102.38	321.94	3.89	-98.49
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386582	1	32	-2.0	-107.12	295.32	3.86	-103.26
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CS1	REAL300000386585	0	32	-2.0	-109.84	321.78	2.73	-107.11
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386587	0	31	-2.0	-107.55	301.03	1.55	-106.00
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386589	1	37	-2.0	-99.61	332.87	5.40	-94.21
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000386590	1	37	-2.0	-109.80	343.74	-0.17	-109.97
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386593	0	35	-2.0	-103.36	335.02	4.80	-98.56
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386595	0	29	-2.0	-104.42	307.71	3.38	-101.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=CC=C1O	REAL300000386597	0	32	-2.0	-107.63	330.15	4.98	-102.65
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386598	1	32	-2.0	-107.74	302.33	3.79	-103.95
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386600	0	40	-2.0	-107.78	373.19	4.90	-102.88
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386600	1	39	-3.0	-162.01	366.72	5.03	-156.98
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386601	0	35	-2.0	-105.83	332.40	2.51	-103.32
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1O	REAL300000386603	0	32	-2.0	-108.62	316.27	3.72	-104.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1O	REAL300000386603	1	31	-3.0	-167.94	313.80	3.71	-164.23
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386604	0	34	-2.0	-101.15	333.64	4.29	-96.86
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386604	1	33	-3.0	-164.07	331.17	4.29	-159.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=CC=C1O	REAL300000386605	0	32	-2.0	-112.51	327.86	4.93	-107.58
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386606	0	39	-2.0	-119.07	357.45	3.51	-115.56
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386607	1	41	-2.0	-113.50	361.98	5.05	-108.45
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000386609	0	32	-2.0	-107.10	306.73	3.82	-103.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=CC=C1O	REAL300000386610	0	35	-2.0	-118.70	326.29	6.11	-112.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=CC=C1O	REAL300000386611	1	35	-2.0	-118.98	315.56	5.37	-113.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=CC=C1O	REAL300000386612	0	31	-2.0	-108.38	306.51	2.54	-105.84
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000386613	0	34	-2.0	-105.57	334.53	4.91	-100.66
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000386614	1	33	-2.0	-100.39	331.15	4.24	-96.15
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386615	0	36	-2.0	-110.26	352.37	2.14	-108.12
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386617	0	32	-3.0	-175.69	312.69	1.33	-174.36
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386617	1	32	-3.0	-176.87	301.71	2.21	-174.66
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386619	0	34	-2.0	-112.56	338.35	2.45	-110.11
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386620	0	35	-2.0	-106.66	331.87	4.27	-102.39
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000386622	0	35	-2.0	-105.03	335.92	2.77	-102.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=CC=C1O	REAL300000386623	0	31	-2.0	-100.17	309.13	3.80	-96.37
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386624	0	34	-2.0	-118.85	328.06	4.01	-114.84
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)=CC=C21	REAL300000386625	1	41	-2.0	-109.94	365.23	4.59	-105.35
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386626	1	34	-2.0	-100.64	330.67	4.87	-95.77
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386627	0	32	-2.0	-119.91	317.26	3.76	-116.15
COC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)SC=C1	REAL300000386628	0	30	-2.0	-117.60	296.68	1.34	-116.26
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386629	1	38	-2.0	-118.58	356.69	1.47	-117.11
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300000386630	0	35	-2.0	-108.86	328.27	4.34	-104.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CC=C1O	REAL300000386631	0	32	-2.0	-112.66	304.27	3.45	-109.21
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000386632	0	37	-2.0	-128.92	336.02	4.29	-124.63
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C2=CC(Cl)=CC=C2S1	REAL300000386633	0	35	-2.0	-110.79	340.91	5.97	-104.82
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C(Br)S1	REAL300000386635	1	29	-2.0	-103.02	304.42	3.56	-99.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=CC=C1O	REAL300000386636	1	35	-2.0	-110.77	329.93	5.79	-104.98
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CC(F)=C1F	REAL300000386637	1	35	-2.0	-98.88	340.13	3.80	-95.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)SC2=CC=CC(F)=C12	REAL300000386638	0	35	-2.0	-113.88	334.48	5.09	-108.79
N#CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386639	1	30	-2.0	-101.66	316.64	4.06	-97.60
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1F	REAL300000386640	0	34	-2.0	-107.93	328.54	4.43	-103.50
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386641	0	31	-2.0	-115.92	307.76	1.81	-114.11
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=NC2=C1Cl	REAL300000386643	0	34	-2.0	-101.08	335.50	3.02	-98.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)=CC=C1O	REAL300000386644	0	29	-2.0	-114.43	294.15	4.00	-110.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)=CC=C1O	REAL300000386645	1	31	-2.0	-103.30	322.78	2.97	-100.33
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386646	0	29	-2.0	-101.25	290.54	1.97	-99.28
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)N=C1Cl	REAL300000386647	0	29	-2.0	-116.37	294.86	1.87	-114.50
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386648	1	37	-2.0	-113.64	333.50	1.67	-111.97
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1O	REAL300000386649	0	32	-2.0	-108.64	326.15	4.15	-104.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=CC=C1O	REAL300000386650	0	30	-2.0	-116.28	290.35	1.79	-114.49
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1C	REAL300000386651	0	37	-2.0	-124.43	324.81	5.88	-118.55
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)S2)=CS1	REAL300000386652	0	35	-2.0	-109.99	353.96	3.61	-106.38
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386653	0	30	-2.0	-101.64	296.73	0.89	-100.75
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386654	0	28	-2.0	-106.82	283.05	0.89	-105.93
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000386655	1	35	-2.0	-103.50	341.84	4.10	-99.40
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386656	1	34	-2.0	-99.81	322.73	4.52	-95.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386657	0	35	-2.0	-112.26	314.43	4.27	-107.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=CC=C1O	REAL300000386659	1	36	-2.0	-128.21	339.12	0.93	-127.28
CC1=CC(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000386660	0	35	-2.0	-111.38	330.28	4.27	-107.11
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386661	0	35	-2.0	-107.69	320.21	4.41	-103.28
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386662	0	35	-2.0	-119.21	333.42	4.15	-115.06
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(F)=C1	REAL300000386664	0	30	-2.0	-107.54	303.80	3.74	-103.80
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C(C)N1	REAL300000386665	1	42	-2.0	-110.29	370.49	3.74	-106.55
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1F	REAL300000386666	0	32	-2.0	-109.77	306.70	3.83	-105.94
COC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000386667	0	35	-2.0	-100.30	330.04	3.79	-96.51
CC1=CC(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000386668	0	38	-2.0	-113.20	338.34	4.68	-108.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=CC=C1O	REAL300000386669	1	35	-2.0	-120.19	332.25	5.88	-114.31
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1F	REAL300000386670	1	35	-2.0	-108.55	339.62	0.59	-107.96
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1O	REAL300000386671	0	34	-2.0	-116.11	332.00	4.72	-111.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1O	REAL300000386671	1	33	-3.0	-176.67	329.53	4.71	-171.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=CC=C1O	REAL300000386672	0	32	-2.0	-107.62	319.84	4.54	-103.08
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386674	0	31	-3.0	-166.95	314.73	3.74	-163.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1F	REAL300000386675	1	34	-2.0	-101.04	327.56	4.38	-96.66
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386676	0	35	-2.0	-115.51	336.47	4.96	-110.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=CC=C1O	REAL300000386677	0	28	-2.0	-108.26	293.52	2.49	-105.77
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386678	0	35	-2.0	-119.42	320.12	3.44	-115.98
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000386679	0	34	-2.0	-102.54	325.25	1.88	-100.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=CC=C1O	REAL300000386680	0	28	-2.0	-100.29	299.95	2.23	-98.06
CC1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000386681	0	38	-2.0	-117.50	338.75	5.02	-112.48
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)[N-]C4=CC=C(O)C(C(=O)[O-])=C4)C=CC1=C23	REAL300000386682	1	40	-2.0	-111.11	360.28	4.98	-106.13
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000386683	0	34	-3.0	-177.67	328.29	4.31	-173.36
CC1=CC(F)=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000386683	1	35	-2.0	-101.13	327.00	4.18	-96.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1Cl	REAL300000386684	0	34	-3.0	-175.26	334.74	4.75	-170.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=C1Cl	REAL300000386684	1	35	-2.0	-102.44	337.40	4.73	-97.71
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386685	0	34	-3.0	-188.54	328.01	4.31	-184.23
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386685	1	35	-2.0	-119.71	330.72	4.29	-115.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=CC=C1O	REAL300000386686	0	29	-2.0	-98.76	301.75	3.53	-95.23
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386687	1	37	-2.0	-120.44	337.60	4.33	-116.11
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000386688	0	36	-2.0	-106.32	334.27	0.66	-105.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300000386689	0	34	-2.0	-116.69	324.83	3.89	-112.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)=CC=C1O	REAL300000386690	0	29	-2.0	-106.23	297.40	3.82	-102.41
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1Br	REAL300000386691	1	32	-2.0	-112.19	309.22	4.33	-107.86
CCC1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000386692	0	38	-2.0	-108.65	339.39	4.81	-103.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=CC=C1O	REAL300000386693	0	40	-2.0	-108.01	351.67	1.59	-106.42
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1C#N	REAL300000386696	0	33	-2.0	-119.63	311.77	3.84	-115.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)=CC=C1O	REAL300000386697	0	32	-2.0	-103.31	326.39	4.60	-98.71
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386698	0	35	-2.0	-102.08	325.28	3.56	-98.52
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386699	0	38	-2.0	-110.32	347.51	4.70	-105.62
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386700	0	35	-2.0	-117.45	321.84	3.80	-113.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=CC=C1O	REAL300000386701	0	37	-2.0	-106.52	332.57	0.81	-105.71
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386703	0	37	-2.0	-109.60	347.94	5.12	-104.48
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1F	REAL300000386704	0	32	-2.0	-116.29	300.31	3.77	-112.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000386705	1	35	-2.0	-104.25	323.56	0.67	-103.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=CC=C1O	REAL300000386706	0	36	-2.0	-120.23	320.30	3.09	-117.14
COC1=CC=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1CC(=O)[O-]	REAL300000386707	0	39	-2.0	-124.60	359.92	3.62	-120.98
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386709	0	34	-2.0	-112.47	313.78	0.04	-112.43
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1Cl	REAL300000386710	0	32	-2.0	-112.91	306.39	4.20	-108.71
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C(C)O1	REAL300000386712	0	32	-2.0	-108.11	297.49	2.64	-105.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)=CC=C1O	REAL300000386713	0	35	-2.0	-116.59	320.77	0.72	-115.87
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386716	1	38	-2.0	-106.98	357.57	4.71	-102.27
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386717	1	36	-2.0	-109.68	321.11	3.09	-106.59
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C(C(=O)OC)O1	REAL300000386718	0	38	-2.0	-103.99	351.51	3.47	-100.52
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386720	0	32	-2.0	-110.92	308.16	3.47	-107.45
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000386722	0	37	-2.0	-127.08	328.14	4.81	-122.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=CC=C1O	REAL300000386723	1	35	-2.0	-118.60	323.80	5.06	-113.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)=CC=C1O	REAL300000386724	1	35	-2.0	-101.91	343.14	1.14	-100.77
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386725	0	35	-2.0	-114.82	326.15	4.52	-110.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=CC=C1O	REAL300000386726	0	31	-2.0	-98.03	307.26	3.75	-94.28
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386727	0	35	-2.0	-106.93	331.51	4.77	-102.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=CC=C1O	REAL300000386728	1	29	-2.0	-102.15	297.65	3.65	-98.50
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C(C)O1	REAL300000386729	0	35	-2.0	-104.44	332.38	2.62	-101.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=CC=C1O	REAL300000386730	0	28	-2.0	-102.19	286.28	1.75	-100.44
CC1=CC(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1Cl	REAL300000386731	0	35	-2.0	-108.22	336.67	4.58	-103.64
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)N=C1C	REAL300000386732	0	35	-2.0	-119.40	320.06	2.86	-116.54
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386733	1	32	-2.0	-111.46	312.41	4.41	-107.05
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386734	0	32	-2.0	-112.26	309.06	4.28	-107.98
CCN1C=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000386735	0	36	-2.0	-110.49	333.48	3.82	-106.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000386735	1	35	-3.0	-179.39	331.00	3.84	-175.55
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386736	0	32	-2.0	-108.94	314.40	1.80	-107.14
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386737	0	41	-2.0	-111.17	350.65	3.63	-107.54
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CN1C	REAL300000386738	1	39	-2.0	-113.26	357.54	4.08	-109.18
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386739	1	37	-2.0	-106.26	336.54	5.11	-101.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=CC=C1O	REAL300000386740	0	29	-2.0	-115.04	290.56	3.85	-111.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000386741	0	31	-2.0	-110.25	304.41	2.37	-107.88
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386742	0	34	-2.0	-109.20	323.56	3.25	-105.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)=CC=C1O	REAL300000386743	0	36	-2.0	-111.48	339.56	4.25	-107.23
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1Cl	REAL300000386744	1	33	-2.0	-107.01	329.72	4.53	-102.48
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386745	0	31	-2.0	-106.40	304.53	1.64	-104.76
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=C12	REAL300000386746	0	36	-2.0	-101.17	335.75	0.77	-100.40
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386747	0	31	-2.0	-105.03	313.81	3.43	-101.60
COC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000386749	0	32	-2.0	-100.62	315.36	1.02	-99.60
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)=CC=C21	REAL300000386750	1	38	-2.0	-107.79	350.44	4.02	-103.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=CC=C1O	REAL300000386752	0	31	-2.0	-100.26	309.23	2.30	-97.96
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386753	1	35	-2.0	-107.38	335.70	3.78	-103.60
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C(C)=C1CC(=O)[O-]	REAL300000386754	0	44	-2.0	-119.38	365.91	6.18	-113.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=CC=C1O	REAL300000386755	1	32	-2.0	-108.95	321.10	0.16	-108.79
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386756	0	44	-2.0	-109.88	372.85	4.51	-105.37
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000386758	0	30	-2.0	-104.12	308.40	4.01	-100.11
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CC=C1O	REAL300000386759	0	32	-2.0	-119.58	302.45	3.37	-116.21
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386760	0	34	-2.0	-106.94	324.49	1.91	-105.03
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386761	0	40	-2.0	-119.91	364.65	3.15	-116.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=CC=C1O	REAL300000386762	0	26	-2.0	-104.60	278.90	1.78	-102.82
CC1=NC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C(C2=CC=CC=C2)S1	REAL300000386763	0	38	-2.0	-118.68	355.22	4.63	-114.05
CC1=NC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300000386764	0	38	-2.0	-121.95	350.56	2.03	-119.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000386765	1	37	-2.0	-107.66	334.22	5.01	-102.65
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386766	1	39	-2.0	-117.82	338.06	4.81	-113.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=CC=C1O	REAL300000386767	0	29	-2.0	-107.26	295.59	3.46	-103.80
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386771	1	41	-2.0	-112.50	366.60	5.41	-107.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=CC=C1O	REAL300000386772	0	29	-2.0	-103.79	309.69	4.17	-99.62
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386773	0	29	-2.0	-104.11	303.49	3.28	-100.83
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000386774	0	39	-2.0	-111.96	357.51	3.51	-108.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=CC=C1O	REAL300000386776	0	32	-2.0	-105.97	318.76	4.12	-101.85
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386777	1	32	-2.0	-107.74	317.22	4.34	-103.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=CC=C1O	REAL300000386778	0	32	-2.0	-106.49	313.59	1.90	-104.59
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386779	1	33	-2.0	-117.09	310.60	4.12	-112.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=CC=C1O	REAL300000386780	1	32	-2.0	-111.67	319.89	0.28	-111.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=CC=C1O	REAL300000386782	0	37	-2.0	-105.65	343.95	4.34	-101.31
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000386784	0	35	-2.0	-120.43	329.73	4.23	-116.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=CC=C1O	REAL300000386786	0	28	-2.0	-117.26	287.21	3.46	-113.80
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386787	0	37	-2.0	-116.48	347.92	5.12	-111.36
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)=CN=C21	REAL300000386788	1	34	-2.0	-105.82	318.88	2.19	-103.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=CC=C1O	REAL300000386789	0	28	-2.0	-101.70	295.68	2.82	-98.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)=CC=C1O	REAL300000386792	1	32	-2.0	-101.59	329.97	4.57	-97.02
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000386793	1	35	-2.0	-99.60	337.99	3.89	-95.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CC=C1O	REAL300000386794	0	33	-2.0	-112.53	302.50	2.49	-110.04
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386795	0	30	-2.0	-106.85	308.43	4.01	-102.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=CC=C1O	REAL300000386796	0	32	-2.0	-108.83	318.47	2.12	-106.71
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386798	0	37	-2.0	-124.10	328.49	3.57	-120.53
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386800	0	32	-2.0	-115.00	294.11	4.02	-110.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=CC=C1O	REAL300000386802	0	33	-2.0	-124.56	312.90	3.13	-121.43
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386803	0	42	-2.0	-109.48	365.62	4.56	-104.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)=CC=C1O	REAL300000386804	0	29	-2.0	-107.69	301.31	3.75	-103.94
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=CC=C12	REAL300000386805	0	37	-2.0	-126.78	332.38	4.24	-122.54
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386807	1	33	-2.0	-113.65	325.76	0.35	-113.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=CC=C1O	REAL300000386808	0	30	-2.0	-117.58	299.28	1.36	-116.22
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386809	0	32	-2.0	-107.43	299.11	0.53	-106.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)=CC=C1O	REAL300000386810	0	29	-2.0	-112.32	300.60	3.73	-108.59
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1OC	REAL300000386811	1	39	-2.0	-106.88	356.60	3.77	-103.11
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386815	0	35	-2.0	-108.53	324.90	4.33	-104.20
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000386816	0	35	-2.0	-108.90	339.19	4.69	-104.21
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386817	1	39	-2.0	-109.13	345.23	2.92	-106.21
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386818	0	38	-2.0	-124.48	341.62	5.38	-119.10
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386819	0	37	-2.0	-108.46	332.42	1.40	-107.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=CC=C1O	REAL300000386820	0	35	-2.0	-117.82	335.70	4.61	-113.21
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386822	0	32	-2.0	-114.02	319.48	0.54	-113.48
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386822	1	31	-3.0	-172.53	316.17	-0.58	-173.11
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1F	REAL300000386823	1	36	-2.0	-110.16	335.72	2.07	-108.09
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1OC	REAL300000386824	1	37	-2.0	-108.69	346.32	2.83	-105.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=CC=C1O	REAL300000386826	1	32	-2.0	-100.39	318.85	4.12	-96.27
CC(C)(C)C1=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000386827	0	41	-2.0	-126.29	355.92	5.24	-121.05
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000386827	1	40	-3.0	-175.11	352.44	5.75	-169.36
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000386828	0	34	-2.0	-113.87	331.29	-1.33	-115.20
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386829	1	33	-2.0	-117.78	307.36	4.32	-113.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=CC=C1O	REAL300000386831	0	29	-2.0	-105.07	304.37	4.13	-100.94
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(N)=NO1	REAL300000386833	0	30	-2.0	-101.17	280.95	0.46	-100.71
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1)OCC(=O)N2	REAL300000386834	0	39	-2.0	-113.76	353.48	0.08	-113.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=CC=C1O	REAL300000386835	0	29	-2.0	-103.34	304.51	4.44	-98.90
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386836	0	33	-2.0	-113.25	319.50	3.37	-109.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=CC=C1O	REAL300000386837	1	30	-2.0	-105.92	302.01	1.83	-104.09
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386840	1	36	-2.0	-112.00	319.48	3.13	-108.87
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1Br	REAL300000386841	1	30	-2.0	-100.66	315.01	3.96	-96.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)=CC=C1O	REAL300000386843	0	31	-2.0	-101.90	324.41	4.29	-97.61
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386844	0	27	-2.0	-101.65	287.01	2.61	-99.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)=CC=C1O	REAL300000386845	0	31	-2.0	-98.56	320.67	4.17	-94.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000386846	1	31	-2.0	-107.93	291.12	1.88	-106.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=CC=C1O	REAL300000386847	1	34	-2.0	-110.80	315.70	3.42	-107.38
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(F)=C1	REAL300000386848	0	35	-2.0	-109.81	334.76	3.78	-106.03
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1F	REAL300000386849	1	35	-2.0	-104.86	333.84	3.74	-101.12
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386850	0	37	-2.0	-119.21	350.65	4.90	-114.31
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CC=C1C#N	REAL300000386851	1	33	-2.0	-103.28	314.48	3.95	-99.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=CC=C1O	REAL300000386852	0	28	-2.0	-97.03	292.25	1.74	-95.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(F)=C1	REAL300000386853	0	33	-2.0	-112.72	309.50	2.42	-110.30
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1[N+](=O)[O-]	REAL300000386854	0	37	-2.0	-122.64	335.30	6.24	-116.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)=CC=C1O	REAL300000386857	0	33	-2.0	-115.81	322.28	3.93	-111.88
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000386861	0	32	-2.0	-104.00	291.39	1.52	-102.48
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386862	0	38	-2.0	-114.52	356.64	4.69	-109.83
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CN1C	REAL300000386863	1	41	-2.0	-110.91	376.53	4.26	-106.65
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000386865	0	27	-2.0	-102.63	278.44	1.60	-101.03
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C(F)C=C1C	REAL300000386866	0	41	-2.0	-109.96	372.66	5.24	-104.72
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386867	1	43	-2.0	-120.81	386.05	1.26	-119.55
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386868	0	40	-2.0	-119.56	357.84	2.56	-117.00
CC1=CC(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000386869	0	35	-2.0	-106.74	321.46	4.17	-102.57
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000386870	1	32	-2.0	-104.18	301.71	-0.26	-104.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=CC=C1O	REAL300000386871	0	29	-2.0	-110.00	296.75	3.64	-106.36
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386874	0	38	-2.0	-112.55	352.04	5.83	-106.72
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386875	0	38	-2.0	-112.13	347.87	5.54	-106.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)=CC=C1O	REAL300000386876	0	32	-2.0	-108.79	317.11	4.96	-103.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=CC=C1O	REAL300000386877	0	32	-2.0	-112.49	311.08	4.41	-108.08
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386879	0	35	-2.0	-123.69	331.21	5.15	-118.54
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000386880	0	38	-2.0	-111.08	345.62	3.06	-108.02
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386881	0	42	-2.0	-118.69	379.31	4.43	-114.26
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)=C2O1	REAL300000386883	0	40	-2.0	-123.06	352.38	4.26	-118.80
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000386884	1	33	-2.0	-100.07	331.17	4.24	-95.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=CC=C1O	REAL300000386885	0	32	-2.0	-115.11	301.12	1.69	-113.42
N#CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386886	0	30	-2.0	-115.07	312.30	3.84	-111.23
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386888	1	36	-2.0	-112.77	325.86	3.28	-109.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=CC=C1O	REAL300000386889	0	29	-2.0	-111.51	296.85	3.92	-107.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=CC=C1O	REAL300000386892	0	26	-2.0	-108.46	282.49	2.51	-105.95
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386893	1	38	-2.0	-106.54	358.76	4.91	-101.63
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386894	0	29	-2.0	-109.09	288.08	2.72	-106.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC=C1O	REAL300000386896	0	26	-2.0	-106.81	272.81	-0.14	-106.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=CC=C1O	REAL300000386897	0	34	-2.0	-118.26	329.03	4.12	-114.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=CC=C1O	REAL300000386898	0	28	-2.0	-105.89	281.44	1.16	-104.73
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386899	1	36	-2.0	-106.66	342.73	3.36	-103.30
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386900	0	38	-2.0	-105.21	338.98	2.11	-103.10
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000386901	1	38	-2.0	-104.84	343.69	1.60	-103.24
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000386902	0	36	-3.0	-177.96	346.24	5.81	-172.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=CC=C1O	REAL300000386905	0	32	-2.0	-107.05	310.70	3.52	-103.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=CC=C1O	REAL300000386906	0	32	-2.0	-112.54	327.03	5.06	-107.48
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386907	0	34	-2.0	-119.41	321.52	2.03	-117.38
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386908	0	28	-2.0	-103.48	283.01	1.35	-102.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])=CC=C1O	REAL300000386909	0	31	-2.0	-107.13	318.18	5.04	-102.09
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=CC=C1O	REAL300000386911	0	33	-2.0	-95.88	312.05	2.64	-93.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=CC=C1O	REAL300000386911	1	33	-2.0	-106.39	323.35	1.76	-104.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=CC=C1O	REAL300000386912	0	35	-2.0	-105.32	330.44	4.45	-100.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)=CC=C1O	REAL300000386913	0	31	-2.0	-102.38	323.30	2.85	-99.53
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386916	1	38	-2.0	-107.43	367.89	5.15	-102.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC=C1O	REAL300000386917	0	26	-2.0	-110.38	272.79	2.10	-108.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=CC=C1O	REAL300000386919	0	35	-2.0	-123.49	335.34	1.48	-122.01
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000386920	0	32	-2.0	-110.85	313.15	1.91	-108.94
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=CC=C1O	REAL300000386921	1	38	-2.0	-109.93	339.34	4.65	-105.28
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1F	REAL300000386922	1	30	-2.0	-100.67	301.22	3.49	-97.18
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000386925	0	34	-2.0	-103.11	326.87	4.42	-98.69
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386926	0	35	-2.0	-109.53	324.73	4.44	-105.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=CC=C1O	REAL300000386927	0	30	-2.0	-109.47	307.40	2.35	-107.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1O	REAL300000386928	0	33	-3.0	-191.46	326.70	5.46	-186.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)=CC=C1O	REAL300000386930	0	33	-2.0	-110.63	325.82	2.93	-107.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C(F)C=C1C	REAL300000386933	0	38	-2.0	-109.77	350.78	4.32	-105.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=CC=C1O	REAL300000386934	0	29	-2.0	-101.91	307.09	3.25	-98.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=CC=C1O	REAL300000386935	0	34	-2.0	-115.35	311.51	-0.04	-115.39
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386936	0	32	-2.0	-112.32	305.96	3.59	-108.73
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CN=C1C	REAL300000386937	0	37	-2.0	-102.99	340.75	2.40	-100.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=CC=C1O	REAL300000386938	0	30	-2.0	-99.97	297.91	1.91	-98.06
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000386939	1	41	-2.0	-113.89	378.17	2.28	-111.61
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386940	1	31	-2.0	-101.52	302.07	2.44	-99.08
CC1=NC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C(Br)N1C	REAL300000386941	0	32	-2.0	-117.96	315.13	2.50	-115.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=CC=C1O	REAL300000386944	1	31	-2.0	-101.04	314.26	2.93	-98.11
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=NN1C	REAL300000386948	0	32	-2.0	-108.25	295.15	1.28	-106.97
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386950	1	42	-2.0	-122.08	368.47	3.92	-118.16
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386951	0	32	-2.0	-108.97	297.89	1.41	-107.56
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386952	1	36	-2.0	-107.86	346.31	3.29	-104.57
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386953	0	29	-2.0	-101.50	290.39	1.65	-99.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=CC=C1O	REAL300000386956	1	34	-2.0	-108.24	320.95	0.25	-107.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=CC=C1O	REAL300000386957	0	29	-2.0	-107.98	290.19	0.59	-107.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=CC=C1O	REAL300000386958	0	35	-2.0	-105.21	320.81	2.98	-102.23
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000386959	1	42	-2.0	-107.96	384.36	3.42	-104.54
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=CC=C12	REAL300000386960	1	43	-2.0	-115.24	368.97	5.22	-110.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)=CC=C1O	REAL300000386962	1	31	-2.0	-107.93	322.68	2.97	-104.96
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1Cl	REAL300000386963	0	37	-2.0	-112.92	348.24	2.72	-110.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=CC=C1O	REAL300000386964	0	37	-2.0	-101.37	345.66	1.63	-99.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=CC=C1O	REAL300000386966	0	32	-2.0	-106.50	311.73	0.63	-105.87
COC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000386968	1	33	-2.0	-104.34	320.05	2.92	-101.42
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000386969	0	33	-2.0	-118.44	326.10	-0.30	-118.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1O	REAL300000386970	0	31	-3.0	-187.15	306.59	3.64	-183.51
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1O	REAL300000386970	1	32	-2.0	-119.17	309.28	3.61	-115.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=CC=C1O	REAL300000386971	0	26	-2.0	-113.87	273.88	1.05	-112.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=CC=C1O	REAL300000386972	0	31	-2.0	-121.50	305.71	2.48	-119.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=CC=C1O	REAL300000386975	0	35	-2.0	-118.89	325.03	5.36	-113.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=CC=C1O	REAL300000386976	0	32	-2.0	-114.63	314.65	2.14	-112.49
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386977	0	35	-2.0	-118.10	342.90	4.57	-113.53
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386979	1	32	-2.0	-111.92	301.64	4.56	-107.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=CC=C1O	REAL300000386980	0	33	-2.0	-108.03	318.93	3.18	-104.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CC=C1O	REAL300000386981	0	34	-2.0	-120.60	310.82	2.87	-117.73
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1F	REAL300000386982	1	38	-2.0	-112.49	356.93	4.54	-107.95
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C2=CC=CC(C)=C2S1	REAL300000386983	1	38	-2.0	-113.47	345.61	6.05	-107.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)=CC=C1O	REAL300000386984	0	33	-2.0	-108.24	329.25	3.62	-104.62
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(F)=C1	REAL300000386990	0	32	-2.0	-116.99	304.43	4.00	-112.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=CC=C1O	REAL300000386992	0	28	-2.0	-103.20	299.55	2.26	-100.94
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1Br	REAL300000386993	0	29	-2.0	-104.76	298.09	1.20	-103.56
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)=CC=C21	REAL300000386994	1	34	-2.0	-109.94	318.37	1.50	-108.44
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000386996	0	35	-2.0	-108.11	330.39	4.30	-103.81
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000386998	0	33	-2.0	-113.35	309.18	2.91	-110.44
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000387000	1	37	-2.0	-108.72	336.92	4.87	-103.85
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387001	0	45	-2.0	-118.95	378.92	5.17	-113.78
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1Cl	REAL300000387003	1	32	-2.0	-101.26	317.76	0.28	-100.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=CC=C1O	REAL300000387004	1	33	-2.0	-106.11	324.25	1.21	-104.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CC=C1O	REAL300000387006	1	35	-2.0	-119.24	322.61	4.04	-115.20
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000387007	1	38	-2.0	-109.30	360.75	4.53	-104.77
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387008	0	38	-2.0	-115.66	355.05	4.40	-111.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C([N+](=O)[O-])S1	REAL300000387009	0	31	-2.0	-117.64	309.09	4.25	-113.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)=CC=C1O	REAL300000387011	0	31	-2.0	-101.35	313.00	3.06	-98.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC=C1O	REAL300000387013	0	28	-2.0	-113.15	275.02	1.23	-111.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC=C1O	REAL300000387016	1	28	-2.0	-101.12	275.91	1.21	-99.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=CC=C1O	REAL300000387018	0	31	-2.0	-108.61	325.10	3.03	-105.58
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=CS1	REAL300000387019	0	27	-2.0	-114.29	284.92	2.45	-111.84
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387020	0	36	-2.0	-114.94	342.28	4.80	-110.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=CC=C1O	REAL300000387023	1	29	-2.0	-101.81	297.12	3.63	-98.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=CC=C1O	REAL300000387024	0	38	-2.0	-114.88	336.21	3.40	-111.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=CC=C1O	REAL300000387026	0	37	-2.0	-119.80	326.71	4.25	-115.55
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387027	0	39	-2.0	-110.64	347.43	1.96	-108.68
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(F)=C1	REAL300000387028	0	38	-2.0	-109.34	356.63	4.71	-104.63
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)S2)C1	REAL300000387033	0	40	-2.0	-110.68	365.75	3.58	-107.10
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387036	1	36	-2.0	-120.98	330.44	0.50	-120.48
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000387041	0	35	-2.0	-110.77	323.75	2.13	-108.64
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387043	1	34	-2.0	-97.25	330.26	4.90	-92.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)=CC=C1O	REAL300000387046	0	36	-2.0	-118.69	341.01	4.85	-113.84
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)N1C	REAL300000387047	0	32	-2.0	-108.17	293.69	2.10	-106.07
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1F	REAL300000387048	0	35	-2.0	-112.08	339.32	3.80	-108.28
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387049	1	42	-2.0	-113.30	364.54	4.72	-108.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=CC=C1O	REAL300000387052	0	42	-2.0	-107.61	376.22	5.32	-102.29
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1F	REAL300000387053	0	34	-2.0	-115.75	319.77	5.15	-110.60
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CN1CC1CC1	REAL300000387054	0	42	-2.0	-119.78	368.62	4.85	-114.93
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000387055	0	35	-2.0	-105.43	331.95	2.43	-103.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=CC=C1O	REAL300000387057	0	32	-2.0	-107.28	314.26	2.56	-104.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(C)=C1[N+](=O)[O-]	REAL300000387059	1	37	-2.0	-106.83	338.58	5.38	-101.45
O=C([O-])C1=CC(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1O	REAL300000387060	0	38	-2.0	-120.03	346.49	5.75	-114.28
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387061	0	32	-2.0	-97.80	316.12	1.67	-96.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=CC=C1O	REAL300000387062	0	28	-2.0	-106.52	291.89	1.66	-104.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=CC=C1O	REAL300000387063	1	39	-2.0	-121.99	340.61	6.45	-115.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(F)=C1F	REAL300000387065	0	32	-2.0	-113.71	306.64	3.83	-109.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)=CC=C1O	REAL300000387066	0	28	-2.0	-106.61	296.48	1.73	-104.88
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)OC=C1	REAL300000387067	0	32	-2.0	-117.15	306.65	2.51	-114.64
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=N1	REAL300000387069	0	31	-2.0	-122.12	301.60	2.04	-120.08
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(C)=N1	REAL300000387070	0	41	-2.0	-108.64	362.43	3.82	-104.82
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C(OC)C=C1F	REAL300000387071	0	39	-2.0	-108.38	361.96	3.56	-104.82
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387073	0	30	-3.0	-173.58	299.96	1.67	-171.91
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387074	0	33	-2.0	-109.04	307.28	3.20	-105.84
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1F	REAL300000387076	1	41	-2.0	-107.74	352.73	5.31	-102.43
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387077	1	30	-2.0	-101.71	301.75	3.52	-98.19
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000387079	0	32	-2.0	-105.45	307.63	1.68	-103.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=CC=C1O	REAL300000387080	0	31	-2.0	-121.74	297.68	2.24	-119.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=CC=C1O	REAL300000387080	1	31	-2.0	-109.71	297.78	2.11	-107.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=CC=C1O	REAL300000387081	0	33	-2.0	-118.30	308.25	3.02	-115.28
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387082	0	39	-2.0	-107.53	335.49	3.18	-104.35
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300000387083	0	41	-2.0	-107.96	342.93	3.68	-104.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=CC=C1O	REAL300000387085	0	39	-2.0	-107.92	341.94	3.40	-104.52
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387086	0	32	-2.0	-101.99	308.83	1.95	-100.04
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(Br)=N1	REAL300000387087	0	29	-2.0	-109.11	299.76	1.26	-107.85
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=CC=C1O	REAL300000387091	0	30	-2.0	-96.94	279.72	1.71	-95.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=CC=C1O	REAL300000387091	1	30	-2.0	-107.20	290.70	0.82	-106.38
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387093	0	32	-2.0	-123.19	305.52	0.72	-122.47
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387094	0	35	-2.0	-108.61	317.36	2.21	-106.40
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1F	REAL300000387095	1	34	-2.0	-109.94	321.82	3.62	-106.32
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000387096	0	29	-2.0	-103.54	279.73	0.41	-103.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(C#N)=C1	REAL300000387097	0	33	-2.0	-117.42	314.02	3.99	-113.43
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387098	0	33	-2.0	-117.37	306.27	4.28	-113.09
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387105	0	29	-2.0	-100.74	293.76	-1.14	-101.88
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387106	0	43	-2.0	-126.36	374.83	2.71	-123.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC=C1O	REAL300000387108	0	25	-2.0	-103.19	261.25	0.76	-102.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387111	0	35	-3.0	-170.27	331.18	3.42	-166.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387111	1	36	-2.0	-106.11	318.12	3.20	-102.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C(C(N)=O)O1	REAL300000387112	0	33	-2.0	-107.68	314.02	-1.34	-109.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=CC=C1O	REAL300000387114	0	29	-2.0	-105.36	294.75	2.97	-102.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C(Cl)O1	REAL300000387116	0	28	-3.0	-164.68	303.12	2.60	-162.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=CC=C1O	REAL300000387117	1	34	-2.0	-119.99	310.76	3.56	-116.43
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387118	0	36	-2.0	-111.22	334.93	3.31	-107.91
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1F	REAL300000387119	0	30	-2.0	-113.37	300.33	3.48	-109.89
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387120	0	32	-2.0	-101.33	329.08	2.33	-99.00
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=C21	REAL300000387122	1	43	-2.0	-131.99	375.34	4.99	-127.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=CC=C1O	REAL300000387123	0	36	-2.0	-108.27	324.41	2.73	-105.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=CC=C1O	REAL300000387124	0	36	-2.0	-105.65	319.73	3.03	-102.62
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CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=NN2C1	REAL300000387129	0	40	-2.0	-115.38	349.56	1.07	-114.31
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COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1F	REAL300000387133	1	33	-2.0	-100.63	320.39	2.61	-98.02
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COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1F	REAL300000387135	0	33	-2.0	-107.80	315.69	2.49	-105.31
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387137	0	39	-2.0	-115.09	348.95	4.45	-110.64
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387138	1	32	-2.0	-106.89	297.56	3.76	-103.13
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)=C2O1	REAL300000387139	0	37	-2.0	-121.51	331.69	3.64	-117.87
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000387140	0	37	-2.0	-107.44	343.18	2.72	-104.72
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387142	0	33	-2.0	-113.66	310.94	3.72	-109.94
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=CC=C1O	REAL300000387143	0	35	-2.0	-116.32	328.19	3.68	-112.64
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CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387146	0	29	-2.0	-100.01	297.84	1.10	-98.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=CC=C1O	REAL300000387147	0	31	-2.0	-101.00	308.67	2.25	-98.75
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387148	0	34	-2.0	-124.98	316.26	2.65	-122.33
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387149	0	31	-2.0	-99.10	288.44	0.39	-98.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=CC=C1O	REAL300000387151	1	30	-2.0	-100.03	289.39	1.84	-98.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=CC=C1O	REAL300000387152	0	32	-2.0	-112.42	313.37	4.48	-107.94
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=CC=C1O	REAL300000387153	0	32	-2.0	-124.02	319.42	2.76	-121.26
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387154	0	36	-2.0	-104.37	325.44	2.82	-101.55
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1OC	REAL300000387156	0	37	-2.0	-113.80	330.27	2.98	-110.82
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CC=C1Br	REAL300000387158	1	30	-2.0	-101.00	315.05	3.96	-97.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=CC=C1O	REAL300000387159	0	32	-2.0	-113.11	304.29	3.34	-109.77
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1OC	REAL300000387160	0	37	-2.0	-118.82	333.93	3.38	-115.44
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000387161	0	42	-2.0	-112.63	363.30	3.96	-108.67
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C2=CC=CC=C2S1	REAL300000387162	0	33	-2.0	-114.41	325.37	5.00	-109.41
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000387163	0	36	-2.0	-111.32	329.81	2.98	-108.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=CC=C1O	REAL300000387165	0	32	-2.0	-118.04	303.95	2.26	-115.78
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C=CC=C21	REAL300000387166	0	34	-2.0	-128.49	319.06	1.45	-127.04
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)=C21	REAL300000387167	0	36	-2.0	-111.29	315.46	4.98	-106.31
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CN=C1N	REAL300000387168	1	33	-2.0	-110.01	302.52	0.76	-109.25
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387169	0	29	-2.0	-108.21	291.81	-1.08	-109.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=CC=C1O	REAL300000387172	1	32	-2.0	-108.60	308.20	3.44	-105.16
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000387173	0	39	-2.0	-111.89	346.06	3.46	-108.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=CC=C1O	REAL300000387175	0	26	-2.0	-107.36	280.35	2.60	-104.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=CC=C1O	REAL300000387176	0	39	-2.0	-108.84	348.49	3.69	-105.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=CC=C1O	REAL300000387177	0	33	-2.0	-114.04	311.25	4.25	-109.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)=CC=C1O	REAL300000387178	0	40	-2.0	-116.26	373.03	5.87	-110.39
COC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000387180	0	38	-2.0	-135.34	339.95	4.26	-131.08
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387182	0	35	-2.0	-102.87	330.79	1.40	-101.47
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387183	0	30	-2.0	-113.12	299.02	3.40	-109.72
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387184	0	36	-2.0	-108.44	320.20	2.58	-105.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1O	REAL300000387185	0	33	-2.0	-97.57	330.96	4.40	-93.17
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387188	0	38	-2.0	-103.31	321.50	2.97	-100.34
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000387189	0	38	-2.0	-108.90	339.01	2.77	-106.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=CC=C1O	REAL300000387190	0	36	-2.0	-109.07	323.07	2.15	-106.92
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000387191	0	34	-2.0	-100.82	325.43	2.87	-97.95
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000387192	1	40	-2.0	-107.98	348.78	3.87	-104.11
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=CC=C1O	REAL300000387193	1	31	-2.0	-95.10	313.54	3.81	-91.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=CC=C1O	REAL300000387194	1	32	-2.0	-101.28	319.65	4.13	-97.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=CC=C1O	REAL300000387196	0	29	-2.0	-109.38	296.04	3.43	-105.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=CC=C1O	REAL300000387197	1	29	-2.0	-102.38	306.25	3.16	-99.22
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387198	0	32	-2.0	-103.85	296.69	1.27	-102.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)=CC=C1O	REAL300000387200	1	32	-2.0	-100.52	326.42	4.47	-96.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=CC=C1O	REAL300000387202	1	32	-2.0	-109.39	302.30	4.07	-105.32
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387203	1	40	-2.0	-120.01	359.09	5.09	-114.92
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)=CC=C21	REAL300000387205	1	39	-2.0	-113.67	354.75	4.74	-108.93
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387207	0	34	-2.0	-107.36	333.28	3.54	-103.82
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1Cl	REAL300000387209	0	30	-2.0	-110.34	307.13	3.91	-106.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)=CC=C1O	REAL300000387210	0	38	-2.0	-117.94	348.63	3.02	-114.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=CC=C1O	REAL300000387211	0	29	-2.0	-110.64	294.54	3.29	-107.35
COC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=CS1	REAL300000387213	0	30	-2.0	-113.93	296.75	1.51	-112.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=CC=C1O	REAL300000387214	0	32	-2.0	-108.65	306.78	4.51	-104.14
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387215	0	35	-2.0	-105.60	340.69	3.41	-102.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=CC=C1O	REAL300000387216	0	36	-2.0	-113.76	329.23	5.22	-108.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=CC=C1O	REAL300000387217	0	39	-2.0	-105.94	339.26	3.68	-102.26
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387218	0	38	-2.0	-105.73	335.65	2.89	-102.84
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387221	0	32	-2.0	-117.29	328.45	-0.45	-117.74
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(O)C(C(=O)[O-])=C3)C2=N1	REAL300000387222	0	34	-2.0	-120.44	318.12	1.41	-119.03
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000387223	0	32	-2.0	-109.96	300.60	2.65	-107.31
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=CC=C1O	REAL300000387224	0	29	-2.0	-103.25	298.37	2.28	-100.97
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387225	0	33	-2.0	-106.16	315.44	2.98	-103.18
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(C2CCOCC2)=N1	REAL300000387226	0	43	-2.0	-110.44	372.85	2.20	-108.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=CC=C1O	REAL300000387228	1	33	-2.0	-110.04	313.76	2.64	-107.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000387230	0	30	-2.0	-107.19	298.31	1.51	-105.68
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000387231	0	40	-2.0	-127.59	345.95	5.39	-122.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CC=C1O	REAL300000387233	0	32	-2.0	-105.80	307.18	1.75	-104.05
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1Cl	REAL300000387235	0	32	-2.0	-106.41	326.19	2.52	-103.89
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387236	0	39	-2.0	-106.48	354.19	4.25	-102.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=CC=C1O	REAL300000387237	0	42	-2.0	-108.01	360.90	3.99	-104.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CC=C1O	REAL300000387239	1	32	-2.0	-113.98	296.15	3.98	-110.00
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387240	1	41	-2.0	-116.20	361.31	5.65	-110.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC=C1O	REAL300000387241	0	32	-2.0	-113.39	300.02	3.44	-109.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=CC=C1O	REAL300000387242	1	31	-2.0	-111.99	305.45	2.44	-109.55
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=N1	REAL300000387243	0	31	-2.0	-107.91	295.22	-0.08	-107.99
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1Cl	REAL300000387244	0	32	-2.0	-105.63	316.21	1.98	-103.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=CC=C1O	REAL300000387246	0	31	-2.0	-105.21	315.53	2.33	-102.88
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O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC=C1O	REAL300000387248	0	26	-2.0	-104.24	274.26	1.67	-102.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=CC=C1O	REAL300000387249	1	34	-2.0	-119.51	327.71	4.02	-115.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000387250	1	38	-2.0	-119.84	333.29	5.90	-113.94
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=CC=C1O	REAL300000387253	0	29	-2.0	-105.84	302.03	3.67	-102.17
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000387254	0	35	-2.0	-121.19	338.13	-0.65	-121.84
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300000387255	0	39	-2.0	-113.93	351.95	4.48	-109.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=CC=C1O	REAL300000387259	0	33	-2.0	-110.40	318.34	4.37	-106.03
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000387260	1	32	-2.0	-100.83	319.96	3.87	-96.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=CC=C1O	REAL300000387262	0	25	-2.0	-100.18	278.44	1.48	-98.70
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=NN1	REAL300000387264	0	35	-2.0	-108.35	334.88	0.85	-107.50
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1OC	REAL300000387265	0	34	-2.0	-110.33	328.40	1.73	-108.60
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CC=C1O	REAL300000387266	0	30	-2.0	-96.30	313.74	2.08	-94.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CC=C1O	REAL300000387266	1	29	-3.0	-164.87	311.09	2.09	-162.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=CC=C1O	REAL300000387267	0	28	-2.0	-96.75	292.14	1.69	-95.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)=CC=C1O	REAL300000387268	0	33	-2.0	-109.09	322.82	4.06	-105.03
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387270	0	35	-2.0	-108.99	318.93	3.00	-105.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=CC=C1O	REAL300000387272	0	32	-2.0	-112.43	305.19	4.44	-107.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=CC=C1O	REAL300000387274	0	26	-2.0	-99.56	299.59	3.16	-96.40
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1Cl	REAL300000387275	0	29	-2.0	-105.24	294.37	1.10	-104.14
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387276	0	42	-2.0	-111.98	368.31	5.47	-106.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=CC=C1O	REAL300000387277	1	34	-2.0	-107.23	325.99	3.70	-103.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)=CC=C1O	REAL300000387278	1	40	-2.0	-112.97	363.20	5.90	-107.07
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387279	1	35	-2.0	-122.34	312.34	4.89	-117.45
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)OC=C1	REAL300000387280	0	27	-2.0	-110.42	276.36	1.52	-108.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=CC=C1O	REAL300000387282	0	30	-2.0	-111.86	316.01	1.85	-110.01
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000387283	0	38	-2.0	-113.89	356.43	2.10	-111.79
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)S1	REAL300000387283	1	37	-3.0	-174.79	354.42	0.90	-173.89
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387284	1	31	-2.0	-100.97	302.26	2.45	-98.52
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387285	1	40	-2.0	-113.62	357.84	4.67	-108.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000387286	0	39	-2.0	-111.43	351.34	3.84	-107.59
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000387287	0	33	-2.0	-117.79	312.53	2.41	-115.38
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000387291	0	32	-2.0	-114.10	330.83	3.98	-110.12
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387292	0	42	-2.0	-106.94	361.28	4.25	-102.69
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC=C1O	REAL300000387293	0	26	-2.0	-106.72	273.31	1.55	-105.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CC=C1O	REAL300000387294	0	26	-2.0	-104.20	283.32	2.57	-101.63
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387295	0	43	-2.0	-117.88	379.34	3.34	-114.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=CC=C1O	REAL300000387296	0	35	-2.0	-114.36	333.37	5.90	-108.46
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387297	0	37	-2.0	-105.92	326.79	0.80	-105.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(C)=N1	REAL300000387302	1	35	-2.0	-103.95	317.36	0.50	-103.45
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387303	0	35	-2.0	-114.64	321.92	0.87	-113.77
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387305	0	32	-2.0	-108.45	317.21	0.75	-107.70
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1C	REAL300000387306	1	35	-2.0	-105.22	321.83	0.47	-104.75
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300000387307	0	38	-2.0	-107.81	337.48	3.20	-104.61
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387308	0	38	-2.0	-109.10	338.09	2.79	-106.31
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=CC=C1O	REAL300000387309	0	28	-2.0	-106.84	301.85	1.04	-105.80
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=CO1	REAL300000387310	0	27	-2.0	-110.80	277.47	1.46	-109.34
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)SC=C1	REAL300000387311	0	27	-2.0	-109.64	286.57	2.38	-107.26
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387313	0	35	-2.0	-105.26	317.43	2.26	-103.00
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C1C	REAL300000387314	0	37	-2.0	-102.95	341.29	2.42	-100.53
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1O	REAL300000387315	0	39	-2.0	-107.51	351.81	5.47	-102.04
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387316	0	32	-2.0	-116.40	316.36	4.87	-111.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CC=C1O	REAL300000387317	0	36	-2.0	-104.49	326.73	3.17	-101.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=CC=C1O	REAL300000387318	0	36	-2.0	-112.29	330.75	4.07	-108.22
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=NN1C(C)C	REAL300000387320	0	38	-2.0	-108.93	338.99	2.80	-106.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=CC=C1O	REAL300000387322	0	31	-2.0	-104.61	301.88	2.08	-102.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=CC=C1O	REAL300000387323	0	29	-2.0	-107.81	313.92	-0.82	-108.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=CC=C1O	REAL300000387327	0	33	-2.0	-112.64	324.97	3.52	-109.12
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1O	REAL300000387328	0	39	-2.0	-117.78	350.89	5.50	-112.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC=C1O	REAL300000387329	1	30	-2.0	-111.31	285.54	0.20	-111.11
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387330	1	38	-2.0	-114.91	339.44	4.74	-110.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=CC=C1O	REAL300000387331	0	32	-2.0	-119.08	314.18	4.05	-115.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC=C1O	REAL300000387332	0	25	-2.0	-101.32	260.16	0.65	-100.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=CC=C1O	REAL300000387333	0	33	-2.0	-119.60	322.40	2.32	-117.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=CC=C1O	REAL300000387334	1	36	-2.0	-118.73	330.34	5.36	-113.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(Cl)=C1Cl	REAL300000387335	1	32	-2.0	-110.02	321.56	4.66	-105.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)=CC=C1O	REAL300000387336	0	33	-2.0	-105.71	325.99	2.91	-102.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=CC=C1O	REAL300000387337	0	36	-2.0	-110.48	342.45	4.10	-106.38
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C(C(F)F)=C1	REAL300000387338	1	36	-2.0	-116.19	324.97	3.64	-112.55
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387341	0	34	-2.0	-117.82	315.30	2.64	-115.18
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387342	0	35	-2.0	-107.08	339.61	1.22	-105.86
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(=O)[O-])=C1	REAL300000387343	0	35	-2.0	-127.07	323.85	4.60	-122.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000387344	0	37	-2.0	-127.36	332.24	4.22	-123.14
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000387345	0	34	-3.0	-169.79	325.11	3.60	-166.19
CCC1=C(S(=O)(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000387345	1	35	-2.0	-108.01	329.83	3.49	-104.52
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387346	0	42	-2.0	-120.34	363.97	5.06	-115.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000387347	1	29	-2.0	-103.02	299.79	3.45	-99.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC=C1O	REAL300000387348	0	25	-2.0	-105.60	261.09	0.17	-105.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=CC=C1O	REAL300000387349	0	36	-2.0	-109.91	320.24	2.37	-107.54
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000387350	0	32	-2.0	-115.42	301.43	3.78	-111.64
NC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000387378	0	38	-2.0	-113.11	356.63	4.13	-108.98
NC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000387403	0	36	-2.0	-112.21	329.39	2.27	-109.94
CC1=CC(=O)N(C)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000387465	0	37	-2.0	-109.83	332.87	4.71	-105.12
CC1=CC(=O)N(C)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000387494	0	35	-2.0	-102.79	312.89	2.77	-100.02
CC1=CC(=O)N(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000387502	1	34	-2.0	-89.39	322.39	4.62	-84.77
CC1=CC(=O)N(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000387514	0	34	-2.0	-88.61	336.27	5.06	-83.55
CC1=CC(=O)N(C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000387527	1	31	-2.0	-89.19	310.76	3.46	-85.73
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CC2CC2)C2=CC=CC=C2)=C1	REAL300000387558	0	41	-2.0	-109.10	371.86	9.50	-99.60
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CC2CC2)C2=CC=CC=C2)=C1	REAL300000387583	0	39	-2.0	-110.59	332.31	7.50	-103.09
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)=C1	REAL300000387620	1	37	-2.0	-106.60	348.21	7.60	-99.00
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)=C1	REAL300000387623	0	37	-2.0	-103.80	353.67	7.67	-96.13
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)=C1	REAL300000387624	0	34	-2.0	-100.70	341.38	6.63	-94.07
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000387626	1	38	-2.0	-104.98	354.84	6.96	-98.02
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)=C1	REAL300000387627	0	37	-2.0	-96.94	357.30	7.29	-89.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)=CS1	REAL300000387628	1	34	-2.0	-102.24	339.85	6.64	-95.60
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000387629	0	37	-2.0	-100.67	351.23	6.75	-93.92
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000387630	1	37	-2.0	-103.88	356.80	7.50	-96.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)C=C1F	REAL300000387631	1	37	-2.0	-93.51	352.73	7.65	-85.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)S1	REAL300000387632	0	34	-2.0	-95.73	340.45	6.73	-89.00
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)=C1	REAL300000387633	1	37	-2.0	-97.42	354.60	7.68	-89.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)C(F)=C1	REAL300000387634	0	37	-2.0	-93.44	353.66	7.68	-85.76
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)=C1	REAL300000387635	0	38	-2.0	-106.66	357.91	5.32	-101.34
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(CCC(F)(F)F)C=C2)=C1	REAL300000387635	1	38	-2.0	-104.12	357.10	6.12	-98.00
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)C=C1	REAL300000387636	1	40	-2.0	-97.61	370.36	8.39	-89.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000387639	1	41	-2.0	-106.30	376.22	7.83	-98.47
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)=C1F	REAL300000387641	0	37	-2.0	-110.32	351.85	7.65	-102.67
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)=C1	REAL300000387642	0	36	-2.0	-104.21	344.41	5.72	-98.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)=C(Cl)O1	REAL300000387643	0	34	-2.0	-94.40	348.34	6.59	-87.81
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CCC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000387644	0	40	-2.0	-100.54	370.32	7.61	-92.93
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)=CC=C1F	REAL300000387645	0	32	-2.0	-109.75	332.11	4.49	-105.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)C=C1	REAL300000387646	0	32	-2.0	-100.28	327.57	4.47	-95.81
O=C([O-])C1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=C(Cl)C=C2F)C=C1	REAL300000387646	1	32	-2.0	-93.26	329.13	3.58	-89.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000387647	0	32	-2.0	-111.87	327.58	4.46	-107.41
O=C([O-])C1=CC=CC(S(=O)(=O)N[N-]C(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000387647	1	32	-2.0	-103.32	329.16	3.57	-99.75
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)C=C1	REAL300000387648	0	36	-2.0	-99.25	359.03	5.76	-93.49
O=C([O-])C=CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=C(Cl)C=C2F)C=C1	REAL300000387648	1	36	-2.0	-92.66	360.60	4.87	-87.79
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)C=C1C(=O)[O-]	REAL300000387649	0	35	-2.0	-112.89	343.60	5.00	-107.89
CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=C(Cl)C=C2F)C=C1C(=O)[O-]	REAL300000387649	1	35	-2.0	-104.03	345.19	4.11	-99.92
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000387650	0	32	-2.0	-107.47	333.06	4.53	-102.94
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000387651	0	29	-2.0	-106.32	320.77	3.49	-102.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)C=C1F	REAL300000387652	0	35	-2.0	-110.56	343.02	5.24	-105.32
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CC=C(Cl)C=C1F	REAL300000387652	1	35	-2.0	-101.11	331.85	4.96	-96.15
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)C=C1C(=O)[O-]	REAL300000387653	0	33	-2.0	-110.79	334.22	3.82	-106.97
CN1C=C(S(=O)(=O)N[N-]C(=O)C2=CC=C(Cl)C=C2F)C=C1C(=O)[O-]	REAL300000387653	1	33	-2.0	-102.37	335.80	2.92	-99.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000387654	0	32	-2.0	-102.83	336.70	4.15	-98.68
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)=CS1	REAL300000387655	0	29	-2.0	-107.81	319.23	3.50	-104.31
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)C=C(C(=O)[O-])O1	REAL300000387656	0	32	-2.0	-104.89	330.60	3.61	-101.28
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)C=C(C(=O)[O-])S1	REAL300000387657	0	32	-2.0	-107.53	336.18	4.36	-103.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)C=C1F	REAL300000387658	0	32	-2.0	-100.00	332.12	4.50	-95.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)S1	REAL300000387659	0	29	-2.0	-101.54	319.85	3.59	-97.95
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000387660	0	32	-2.0	-103.13	333.99	4.53	-98.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)C(F)=C1	REAL300000387661	0	32	-2.0	-99.75	333.07	4.53	-95.22
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000387662	0	33	-2.0	-108.49	337.30	2.18	-106.31
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000387662	1	32	-3.0	-208.03	333.73	3.07	-204.96
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)C=C1	REAL300000387663	0	35	-2.0	-101.89	349.75	5.25	-96.64
O=C([O-])CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=C(Cl)C=C2F)C=C1	REAL300000387663	1	35	-2.0	-93.92	351.32	4.36	-89.56
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)C=C1F	REAL300000387664	0	35	-2.0	-109.87	337.13	5.07	-104.80
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[N-]C(=O)C1=CC=C(Cl)C=C1F	REAL300000387664	1	35	-2.0	-101.71	334.29	4.77	-96.94
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(Cl)C=C1F	REAL300000387665	0	35	-2.0	-100.05	343.00	5.23	-94.82
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[N-]C(=O)C1=CC=C(Cl)C=C1F	REAL300000387665	1	35	-2.0	-93.38	332.62	5.00	-88.38
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)C=C1C(=O)[O-]	REAL300000387666	0	36	-2.0	-112.10	355.61	4.68	-107.42
CCN1C=C(S(=O)(=O)N[N-]C(=O)C2=CC=C(Cl)C=C2F)C=C1C(=O)[O-]	REAL300000387666	1	36	-2.0	-103.58	357.18	3.79	-99.79
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)=CC=C1C(=O)[O-]	REAL300000387667	0	35	-2.0	-100.34	343.59	5.01	-95.33
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CC=C(Cl)C=C2F)=CC=C1C(=O)[O-]	REAL300000387667	1	35	-2.0	-92.99	345.16	4.12	-88.87
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)=CC=C1	REAL300000387668	0	32	-2.0	-117.91	331.20	4.49	-113.42
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000387669	0	31	-2.0	-109.45	323.81	2.59	-106.86
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)=C(Cl)O1	REAL300000387670	0	29	-2.0	-99.55	327.73	3.44	-96.11
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(Cl)C=C2F)C=C(C(=O)[O-])O1	REAL300000387671	0	35	-2.0	-104.38	349.71	4.39	-99.99
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(N)=O)=CC=C1F	REAL300000387674	1	40	-2.0	-114.52	361.57	3.05	-111.47
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(N)=O)=CC=C1F	REAL300000387677	1	36	-2.0	-121.98	330.09	1.75	-120.23
NC(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000387681	1	32	-2.0	-113.90	307.41	2.01	-111.89
NC(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000387683	0	29	-2.0	-111.12	295.14	0.99	-110.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2F)=C1	REAL300000387688	1	32	-2.0	-107.37	311.06	1.64	-105.73
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(N)=O)=CC=C1F	REAL300000387696	1	39	-2.0	-121.40	352.37	2.52	-118.88
NC(=O)C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000387697	0	35	-2.0	-117.51	334.93	2.35	-115.16
CC1=C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000387699	1	32	-2.0	-110.40	304.96	1.10	-109.30
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2F)=C1	REAL300000387701	1	36	-2.0	-118.91	330.87	1.04	-117.87
NC(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000387710	1	29	-2.0	-105.97	294.21	1.09	-104.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2F)=C1F	REAL300000387712	1	35	-2.0	-115.43	327.70	2.65	-112.78
NC(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000387713	1	32	-2.0	-103.80	307.41	2.02	-101.78
NC(=O)C1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000387718	0	33	-2.0	-119.16	314.33	0.43	-118.73
NC(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000387726	1	32	-2.0	-105.57	313.71	2.07	-103.50
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2F)C=C1C(=O)[O-]	REAL300000387728	1	35	-2.0	-116.27	327.27	2.64	-113.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2F)=C1Cl	REAL300000387729	1	35	-2.0	-113.78	333.71	3.08	-110.70
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2F)=C1	REAL300000387730	1	35	-2.0	-122.61	326.99	2.64	-119.97
NC(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000387739	0	37	-2.0	-108.06	342.67	4.11	-103.95
NC(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000387741	0	34	-2.0	-124.76	325.68	3.80	-120.96
NC(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000387742	1	32	-2.0	-121.69	305.58	1.97	-119.72
NC(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000387745	0	31	-2.0	-113.53	298.92	0.03	-113.50
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(N)=O)=CC=C1F	REAL300000387746	1	36	-2.0	-108.55	330.15	1.75	-106.80
NC(=O)C1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000387747	0	29	-2.0	-104.32	302.05	0.94	-103.38
CCC1=C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000387750	1	35	-2.0	-110.14	324.06	1.95	-108.19
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000387751	1	42	-2.0	-101.43	384.21	7.07	-94.36
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C1	REAL300000387752	1	41	-2.0	-97.17	365.35	6.26	-90.91
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1	REAL300000387754	0	36	-2.0	-105.31	337.93	6.69	-98.62
O=C([O-])CCC(=O)C1=CC=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000387755	0	39	-2.0	-96.97	369.55	6.00	-90.97
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000387755	1	38	-3.0	-151.98	362.90	6.12	-145.86
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000387756	0	35	-2.0	-89.97	341.29	5.05	-84.92
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000387757	1	37	-2.0	-95.31	350.27	6.81	-88.50
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=C1	REAL300000387758	1	37	-2.0	-91.43	350.24	6.81	-84.62
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000387759	0	36	-2.0	-95.31	351.65	7.00	-88.31
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387760	0	37	-2.0	-105.18	347.53	6.69	-98.49
O=C([O-])CCC(=O)C1=CC=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000387761	0	39	-2.0	-114.40	369.08	6.87	-107.53
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000387761	1	38	-3.0	-163.89	362.43	7.01	-156.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000387762	1	41	-2.0	-96.79	373.63	7.60	-89.19
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387763	0	39	-2.0	-93.86	345.63	4.25	-89.61
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1	REAL300000387764	1	46	-2.0	-99.77	392.15	8.90	-90.87
O=C([O-])CCC(=O)C1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000387765	0	39	-2.0	-99.56	364.41	6.86	-92.70
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000387765	1	38	-3.0	-153.07	357.89	6.98	-146.09
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000387766	0	44	-2.0	-105.61	387.16	5.48	-100.13
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COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=C1F	REAL300000387843	1	40	-2.0	-95.00	365.14	5.79	-89.21
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CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)CCC(=O)[O-])=C3)C=C12	REAL300000387888	0	40	-2.0	-90.40	369.18	3.40	-87.00
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O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1	REAL300000387890	0	36	-2.0	-100.74	341.21	6.53	-94.21
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C(F)=C1	REAL300000387891	0	40	-2.0	-100.79	367.42	5.98	-94.81
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1	REAL300000387892	0	42	-2.0	-103.49	372.56	6.04	-97.45
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=CN1C	REAL300000387893	0	39	-2.0	-107.23	352.96	5.30	-101.93
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1	REAL300000387894	0	40	-2.0	-100.57	367.44	6.46	-94.11
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=N1	REAL300000387895	0	39	-2.0	-96.12	355.51	4.98	-91.14
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000387896	1	43	-2.0	-99.90	384.49	6.14	-93.76
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1	REAL300000387897	1	41	-2.0	-96.99	365.40	5.71	-91.28
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1	REAL300000387898	0	36	-2.0	-94.69	348.95	7.05	-87.64
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)CCC(=O)[O-])=C3)=CC=C2O1	REAL300000387900	1	44	-2.0	-97.26	386.34	7.00	-90.26
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387901	0	36	-2.0	-94.02	329.84	3.47	-90.55
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000387902	1	40	-2.0	-100.23	358.93	5.72	-94.51
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387903	1	39	-2.0	-98.18	344.50	7.20	-90.98
CN1C=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=N1	REAL300000387904	0	36	-2.0	-103.96	334.27	3.95	-100.01
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387905	0	36	-2.0	-91.57	329.66	4.05	-87.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C(F)=C1	REAL300000387911	0	39	-2.0	-102.11	356.34	7.15	-94.96
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=CC=C1F	REAL300000387912	1	39	-2.0	-92.36	356.16	7.12	-85.24
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CNC=N2)=C1	REAL300000387913	0	33	-2.0	-105.32	310.90	3.79	-101.53
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)O1	REAL300000387914	0	39	-2.0	-93.29	368.97	5.21	-88.08
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1	REAL300000387915	0	41	-2.0	-112.72	369.38	7.05	-105.67
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1	REAL300000387916	0	36	-2.0	-90.29	347.62	6.59	-83.70
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000387917	0	38	-3.0	-161.87	367.58	6.87	-155.00
CC1=C(S(=O)(=O)NC2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000387917	1	39	-2.0	-103.84	370.38	6.84	-97.00
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000387918	0	40	-2.0	-99.67	372.03	6.28	-93.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=CN=C1Cl	REAL300000387919	0	38	-2.0	-90.71	360.07	5.64	-85.07
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387920	0	42	-2.0	-107.67	388.50	3.95	-103.72
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387923	0	48	-2.0	-97.54	408.62	7.02	-90.52
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)SC=C1	REAL300000387924	0	36	-2.0	-99.19	340.19	6.05	-93.14
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1C	REAL300000387925	0	45	-2.0	-97.22	387.94	6.32	-90.90
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000387926	0	41	-2.0	-88.56	373.64	7.59	-80.97
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387929	1	40	-2.0	-94.31	365.69	7.59	-86.72
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387930	1	48	-2.0	-95.70	381.82	9.02	-86.68
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387931	0	40	-2.0	-99.69	367.10	6.88	-92.81
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387932	1	40	-2.0	-90.79	365.67	7.58	-83.21
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387933	1	48	-2.0	-98.77	394.19	9.64	-89.13
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C(F)=C1	REAL300000387935	0	37	-2.0	-94.33	355.72	6.87	-87.46
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)CCC(=O)[O-])=C3)C=C2O1	REAL300000387936	1	41	-2.0	-96.64	373.07	4.08	-92.56
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=N1	REAL300000387937	0	42	-2.0	-96.04	374.19	5.51	-90.53
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1	REAL300000387939	1	41	-2.0	-98.97	370.41	6.81	-92.16
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=N1	REAL300000387940	0	42	-2.0	-101.27	388.78	5.18	-96.09
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=CN1	REAL300000387941	0	42	-2.0	-104.33	373.23	4.85	-99.48
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000387944	1	36	-2.0	-84.96	348.42	6.60	-78.36
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=CN1C	REAL300000387946	0	43	-2.0	-101.15	390.60	6.51	-94.64
O=C([O-])CCC(=O)C1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000387947	0	39	-2.0	-100.44	368.88	6.88	-93.56
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000387947	1	38	-3.0	-152.59	362.41	7.02	-145.57
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=CC(C)=C1F	REAL300000387948	1	42	-2.0	-93.08	376.46	7.75	-85.33
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000387949	0	35	-3.0	-154.91	350.16	6.10	-148.81
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000387950	0	45	-2.0	-106.51	394.14	7.66	-98.85
O=C([O-])CCC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000387951	0	39	-2.0	-95.28	370.85	6.92	-88.36
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000387951	1	38	-3.0	-157.29	364.30	7.04	-150.25
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=CN1	REAL300000387952	0	40	-2.0	-98.74	372.82	4.77	-93.97
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000387953	0	38	-3.0	-152.99	363.35	7.05	-145.94
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387954	1	39	-2.0	-94.90	349.81	7.24	-87.66
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=CS1	REAL300000387955	0	39	-2.0	-97.48	376.70	6.09	-91.39
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)S1	REAL300000387956	0	38	-2.0	-95.10	353.69	5.01	-90.09
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=C1	REAL300000387957	1	40	-2.0	-102.86	371.67	7.59	-95.27
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000387958	1	42	-2.0	-99.23	372.31	7.84	-91.39
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000387959	1	39	-2.0	-95.48	357.25	7.14	-88.34
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000387961	0	42	-2.0	-94.39	387.32	5.88	-88.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C(F)C=C1F	REAL300000387962	0	39	-2.0	-94.85	361.64	7.18	-87.67
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1	REAL300000387963	1	42	-2.0	-105.29	370.47	8.73	-96.56
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1	REAL300000387964	0	38	-2.0	-96.18	361.42	5.90	-90.28
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000387965	0	39	-3.0	-164.04	367.59	4.70	-159.34
O=C([O-])CCC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000387965	1	39	-3.0	-167.56	366.71	5.56	-162.00
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1	REAL300000387966	1	46	-2.0	-101.08	384.73	9.05	-92.03
O=C([O-])CCC(=O)C1=CC=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000387967	0	42	-2.0	-98.77	382.78	7.72	-91.05
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000387967	1	41	-3.0	-155.74	380.06	7.76	-147.98
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)O1	REAL300000387968	0	42	-2.0	-93.37	390.83	6.13	-87.24
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1	REAL300000387969	0	38	-2.0	-88.49	364.06	7.15	-81.34
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)SC=C1	REAL300000387971	0	37	-2.0	-105.40	351.59	4.69	-100.71
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000387972	0	39	-2.0	-100.64	359.18	6.81	-93.83
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)CCC(=O)[O-])=C3)C=CC=C2C=C1	REAL300000387973	0	44	-2.0	-114.27	390.94	7.65	-106.62
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387974	0	38	-2.0	-102.40	362.67	5.16	-97.24
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000387975	0	36	-2.0	-89.39	344.40	5.36	-84.03
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COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000387977	1	44	-2.0	-101.09	388.41	5.02	-96.07
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CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1Cl	REAL300000388003	0	39	-2.0	-100.05	361.29	7.55	-92.50
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CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)N=C1C	REAL300000388017	0	42	-2.0	-108.26	375.20	6.19	-102.07
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000388018	0	39	-2.0	-99.42	363.97	7.64	-91.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000388019	0	42	-3.0	-166.10	386.02	7.19	-158.91
CCN1C=C(S(=O)(=O)NC2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000388019	1	43	-2.0	-113.38	392.54	7.05	-106.33
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C(Cl)=N1	REAL300000388023	0	38	-2.0	-97.61	359.32	5.73	-91.88
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CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)S1	REAL300000388061	1	38	-3.0	-159.21	371.10	2.77	-156.44
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CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000388086	1	41	-3.0	-153.31	373.89	7.52	-145.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=N1	REAL300000388087	0	39	-2.0	-92.31	356.61	3.11	-89.20
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CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000388089	0	47	-2.0	-97.10	407.56	7.53	-89.57
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O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1	REAL300000388091	0	39	-2.0	-102.40	356.03	5.05	-97.35
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000388092	1	43	-2.0	-100.23	380.79	6.63	-93.60
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000388093	1	42	-2.0	-121.35	373.83	4.00	-117.35
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)CCC(=O)[O-])=C3)C=C2C=C1	REAL300000388094	1	45	-2.0	-100.49	396.72	9.35	-91.14
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1	REAL300000388095	0	33	-2.0	-96.98	337.40	5.87	-91.11
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000388096	0	36	-2.0	-96.90	342.99	6.08	-90.82
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CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000388099	0	45	-2.0	-93.44	393.97	5.47	-87.97
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=N1	REAL300000388100	0	45	-2.0	-92.67	398.60	4.97	-87.70
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C1	REAL300000388101	1	44	-2.0	-96.36	389.95	7.39	-88.97
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COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000388103	0	41	-2.0	-105.63	376.43	5.39	-100.24
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000388104	0	35	-2.0	-92.02	337.92	4.71	-87.31
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1	REAL300000388106	1	40	-2.0	-122.21	360.61	3.66	-118.55
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1	REAL300000388107	1	43	-2.0	-97.81	378.65	8.52	-89.29
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000388108	0	33	-2.0	-99.08	327.70	5.45	-93.63
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COC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1)C1=CC=CC=C1	REAL300000388110	1	46	-2.0	-97.54	404.18	7.51	-90.03
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000388112	1	36	-2.0	-120.57	334.78	2.35	-118.22
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=NC=CN2)=C1	REAL300000388113	0	33	-2.0	-99.12	311.05	2.99	-96.13
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CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)S1	REAL300000388115	0	39	-2.0	-98.12	359.04	7.04	-91.08
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CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000388117	0	38	-2.0	-89.64	356.98	5.79	-83.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=NN1C	REAL300000388121	0	39	-2.0	-96.44	350.07	4.64	-91.80
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CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000388123	0	39	-2.0	-96.72	352.81	4.77	-91.95
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CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000388135	0	39	-2.0	-98.71	356.55	7.92	-90.79
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CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C(F)=C1	REAL300000388141	0	39	-2.0	-104.31	359.35	7.36	-96.95
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)CCC(=O)[O-])=C3)=CC=C21	REAL300000388142	1	41	-2.0	-97.76	373.28	4.86	-92.90
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000388144	0	40	-2.0	-100.89	364.09	6.26	-94.63
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=C1Cl	REAL300000388146	0	39	-2.0	-89.53	372.68	3.65	-85.88
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000388147	0	35	-2.0	-90.08	328.18	4.31	-85.77
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=CC=C1Cl	REAL300000388148	1	39	-2.0	-93.14	364.91	7.51	-85.63
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C([N+](=O)[O-])S1	REAL300000388150	0	38	-2.0	-103.57	364.01	7.61	-95.96
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000388151	1	41	-2.0	-111.65	370.99	2.44	-109.21
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000388152	0	35	-2.0	-100.66	329.93	4.59	-96.07
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1	REAL300000388155	0	35	-2.0	-89.41	330.84	4.57	-84.84
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O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1	REAL300000388160	1	36	-2.0	-89.97	352.03	6.98	-82.99
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1	REAL300000388161	0	44	-2.0	-106.52	381.62	7.61	-98.91
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000388167	1	43	-2.0	-108.05	385.35	3.85	-104.20
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C(=O)NC1=O	REAL300000388168	1	39	-2.0	-102.10	357.85	3.10	-99.00
CC(C)OC1(CS(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)CCOC1	REAL300000388169	1	50	-2.0	-97.38	405.30	5.46	-91.92
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)N(C)N=C1	REAL300000388170	0	42	-2.0	-98.34	378.66	5.49	-92.85
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)N1C	REAL300000388172	0	39	-2.0	-96.28	347.74	5.44	-90.84
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)O1	REAL300000388175	0	42	-2.0	-93.93	386.87	5.79	-88.14
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300000388176	0	39	-2.0	-95.34	369.17	5.91	-89.43
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1	REAL300000388177	0	35	-2.0	-94.23	346.78	5.01	-89.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C(F)=C1F	REAL300000388179	0	39	-2.0	-100.76	361.55	7.18	-93.58
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)OC=C1	REAL300000388180	0	39	-2.0	-106.27	365.69	5.43	-100.84
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=N1	REAL300000388181	0	38	-2.0	-110.12	357.78	5.31	-104.81
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C(C)=N1	REAL300000388182	0	48	-2.0	-96.35	417.35	7.18	-89.17
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000388183	0	37	-3.0	-161.51	354.88	5.03	-156.48
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000388184	0	40	-2.0	-97.04	362.16	6.55	-90.49
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O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1	REAL300000388186	0	38	-2.0	-109.08	352.59	5.60	-103.48
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1	REAL300000388186	1	38	-2.0	-96.93	352.70	5.45	-91.48
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1	REAL300000388187	0	40	-2.0	-104.73	363.17	6.37	-98.36
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CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300000388189	0	48	-2.0	-94.98	397.84	7.03	-87.95
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O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1	REAL300000388193	0	37	-2.0	-95.74	345.61	4.16	-91.58
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CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000388196	0	42	-2.0	-96.23	372.24	5.58	-90.65
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NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=N1	REAL300000388198	0	36	-2.0	-91.64	334.64	3.77	-87.87
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COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000388204	0	36	-2.0	-89.44	348.67	2.21	-87.23
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000388206	0	32	-2.0	-91.71	316.17	4.12	-87.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=C(C(N)=O)O1	REAL300000388209	0	40	-2.0	-96.63	368.96	2.02	-94.61
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000388210	1	45	-2.0	-96.31	381.15	8.91	-87.40
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1	REAL300000388211	0	36	-2.0	-93.07	349.66	6.32	-86.75
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COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000388214	0	43	-2.0	-102.43	392.15	6.53	-95.90
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O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300000388322	0	43	-2.0	-97.81	381.37	7.64	-90.17
COC1=NOC(CS(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000388323	1	39	-2.0	-93.09	360.48	2.77	-90.32
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=NN1C(C)C	REAL300000388324	0	45	-2.0	-96.86	393.91	6.16	-90.70
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1	REAL300000388325	0	38	-2.0	-92.90	356.79	5.44	-87.46
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300000388327	1	37	-2.0	-98.83	340.45	3.55	-95.28
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000388328	0	32	-2.0	-89.80	315.07	4.02	-85.78
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000388329	0	40	-2.0	-109.06	377.48	5.68	-103.38
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)CCC(=O)[O-])=C1	REAL300000388330	0	41	-2.0	-104.16	370.21	6.00	-98.16
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C2=NC=CC=C12	REAL300000388331	0	44	-2.0	-113.01	387.15	7.58	-105.43
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000388332	0	41	-3.0	-158.19	380.02	6.96	-151.23
CCC1=C(S(=O)(=O)NC2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000388332	1	42	-2.0	-99.45	382.71	6.41	-93.04
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)C=C(Cl)S1	REAL300000388333	0	36	-2.0	-91.20	354.70	6.81	-84.39
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000388334	0	32	-2.0	-93.89	316.01	3.53	-90.36
O=C([O-])CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1	REAL300000388335	0	43	-2.0	-97.91	375.15	5.73	-92.18
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)CCC(=O)[O-])=C2)=C1	REAL300000388336	0	39	-2.0	-102.69	356.34	7.14	-95.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C(F)=C1	REAL300000388341	0	28	-2.0	-112.12	280.16	5.38	-106.74
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C(F)=C1	REAL300000388342	0	31	-2.0	-96.99	305.20	4.72	-92.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C(F)=C1	REAL300000388346	1	28	-2.0	-101.59	293.89	5.67	-95.92
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388348	1	29	-2.0	-112.83	289.76	5.39	-107.44
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000388353	0	38	-2.0	-93.78	356.55	4.15	-89.63
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000388354	0	31	-2.0	-114.08	304.68	5.59	-108.49
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])C(F)=C1	REAL300000388356	0	32	-2.0	-102.13	320.97	7.18	-94.95
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000388359	0	39	-2.0	-106.54	358.97	6.19	-100.35
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388359	1	38	-3.0	-175.12	355.32	6.83	-168.29
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388360	1	31	-2.0	-100.37	287.85	2.92	-97.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C(F)=C1	REAL300000388361	0	25	-2.0	-97.73	285.26	4.81	-92.92
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000388367	0	31	-2.0	-99.48	300.06	5.57	-93.91
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388368	1	36	-2.0	-117.91	324.98	4.25	-113.66
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388371	0	30	-2.0	-95.59	284.74	4.04	-91.55
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388373	0	31	-2.0	-97.54	300.15	5.56	-91.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C(F)=C1	REAL300000388375	1	28	-2.0	-105.86	297.10	6.26	-99.60
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)C(F)=C1	REAL300000388382	1	31	-2.0	-105.09	319.43	6.75	-98.34
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388389	1	34	-2.0	-118.02	316.90	6.49	-111.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C(F)=C1	REAL300000388391	1	28	-2.0	-107.28	295.56	6.20	-101.08
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000388396	0	35	-2.0	-94.76	326.20	5.39	-89.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388396	1	34	-3.0	-182.16	323.84	5.54	-176.62
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000388397	0	35	-2.0	-98.18	331.52	6.86	-91.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C(F)=C1	REAL300000388398	1	28	-2.0	-106.54	295.26	6.41	-100.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C(F)=C1	REAL300000388399	1	25	-2.0	-97.62	280.63	4.71	-92.91
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388401	1	32	-2.0	-111.85	299.92	4.88	-106.97
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000388402	0	34	-2.0	-112.58	316.02	6.09	-106.49
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388403	1	39	-2.0	-116.09	351.57	3.85	-112.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C(F)=C1	REAL300000388404	1	28	-2.0	-102.99	285.30	5.37	-97.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C(F)=C1	REAL300000388411	1	25	-2.0	-103.13	263.59	4.09	-99.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(F)=C1	REAL300000388413	0	30	-2.0	-117.19	292.76	6.51	-110.68
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(F)=C1	REAL300000388414	0	31	-2.0	-100.71	311.67	5.76	-94.95
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000388415	0	31	-2.0	-110.42	312.67	5.96	-104.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C(F)=C1	REAL300000388418	1	28	-2.0	-101.00	283.57	5.22	-95.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388429	1	28	-2.0	-104.09	285.48	4.89	-99.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000388431	0	37	-2.0	-109.76	334.17	6.98	-102.78
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388432	1	32	-2.0	-105.06	316.65	5.40	-99.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C(F)=C1	REAL300000388434	0	30	-2.0	-107.97	309.47	7.03	-100.94
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000388435	0	31	-2.0	-92.77	303.86	5.27	-87.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000388435	1	30	-3.0	-173.10	301.18	5.80	-167.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C(F)=C1	REAL300000388436	1	25	-2.0	-100.90	290.08	5.34	-95.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C(F)=C1	REAL300000388439	1	28	-2.0	-108.44	279.14	5.31	-103.13
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000388440	0	37	-2.0	-96.33	343.72	7.15	-89.18
O=C([O-])C1=CSC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388449	0	28	-2.0	-95.59	295.07	4.66	-90.93
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388449	1	27	-3.0	-168.23	288.88	4.77	-163.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000388452	0	34	-2.0	-108.52	316.69	6.43	-102.09
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388453	1	34	-2.0	-103.74	308.36	4.12	-99.62
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388463	1	37	-2.0	-115.04	343.82	6.77	-108.27
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=CS1	REAL300000388468	1	31	-2.0	-114.49	311.24	5.42	-109.07
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000388471	0	35	-2.0	-97.89	331.20	5.85	-92.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C(F)=C1	REAL300000388476	1	28	-2.0	-109.20	277.16	5.15	-104.05
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388480	0	34	-2.0	-117.58	324.53	3.69	-113.89
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3F)=C2N=C1	REAL300000388481	1	36	-2.0	-120.94	333.00	6.37	-114.57
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C(F)=C1	REAL300000388484	1	32	-2.0	-107.43	316.41	5.36	-102.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C([N+](=O)[O-])=C1	REAL300000388488	1	34	-2.0	-112.73	322.20	5.82	-106.91
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000388500	1	35	-2.0	-115.80	333.51	4.03	-111.77
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C1OC	REAL300000388504	1	36	-2.0	-105.22	335.87	4.36	-100.86
CN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000388506	0	32	-2.0	-98.08	308.54	4.98	-93.10
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1Cl	REAL300000388507	0	28	-2.0	-111.28	289.13	4.65	-106.63
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000388510	0	35	-2.0	-110.49	325.44	4.47	-106.02
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388511	1	34	-2.0	-111.95	335.10	6.40	-105.55
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3F)C=N2)C=C1	REAL300000388524	1	38	-2.0	-102.98	353.63	6.89	-96.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)C(F)=C1	REAL300000388525	1	35	-2.0	-98.32	331.17	5.50	-92.82
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388529	0	31	-2.0	-101.49	310.99	5.32	-96.17
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388529	1	30	-3.0	-160.08	309.25	5.34	-154.74
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000388532	0	37	-2.0	-108.48	332.70	6.98	-101.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C(F)=C1	REAL300000388536	1	28	-2.0	-109.92	288.90	5.74	-104.18
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388539	1	34	-2.0	-99.67	328.13	5.55	-94.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C(F)=C1	REAL300000388543	1	28	-2.0	-98.62	312.01	6.92	-91.70
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388544	1	31	-2.0	-113.57	294.15	5.91	-107.66
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388547	1	33	-2.0	-119.01	305.29	7.35	-111.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)C(F)=C1	REAL300000388548	1	36	-2.0	-109.79	332.52	4.43	-105.36
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(C(F)(F)F)=C1	REAL300000388549	1	32	-2.0	-100.66	318.25	6.88	-93.78
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388552	1	36	-2.0	-121.11	332.92	6.38	-114.73
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=CS1	REAL300000388555	0	28	-2.0	-108.98	293.15	4.65	-104.33
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1Cl	REAL300000388556	1	31	-2.0	-110.92	309.57	7.08	-103.84
COC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=CC(C(=O)[O-])=C1OC	REAL300000388557	0	39	-2.0	-99.79	358.45	5.38	-94.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C(F)=C1	REAL300000388559	1	30	-2.0	-94.37	313.01	6.33	-88.04
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000388560	0	35	-2.0	-102.78	327.35	5.63	-97.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CS2)C(F)=C1	REAL300000388563	0	25	-2.0	-102.60	283.97	4.66	-97.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C(F)=C1	REAL300000388566	0	30	-2.0	-113.75	294.72	6.65	-107.10
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388567	1	42	-2.0	-114.92	382.12	3.89	-111.03
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(F)=C1	REAL300000388568	0	41	-2.0	-109.65	353.80	7.82	-101.83
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000388569	0	40	-2.0	-108.17	352.89	7.20	-100.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C(F)=C1	REAL300000388571	0	30	-2.0	-112.95	305.05	6.47	-106.48
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388572	0	37	-2.0	-112.98	351.68	3.61	-109.37
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388577	1	32	-2.0	-101.09	297.48	4.32	-96.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000388578	0	37	-2.0	-108.60	328.82	6.69	-101.91
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C(F)=C1	REAL300000388579	1	31	-2.0	-108.23	311.18	6.01	-102.22
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000388581	0	38	-2.0	-112.87	349.79	5.67	-107.20
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388581	1	37	-3.0	-183.65	346.13	6.30	-177.35
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000388582	0	33	-3.0	-175.63	328.55	6.12	-169.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388583	0	31	-2.0	-98.28	319.53	4.85	-93.43
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(F)=C1	REAL300000388584	0	38	-2.0	-110.35	343.30	7.09	-103.26
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000388586	1	36	-2.0	-116.41	331.87	7.72	-108.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C(F)=C1	REAL300000388588	0	28	-2.0	-102.16	286.58	5.45	-96.71
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388589	1	38	-2.0	-111.67	367.46	4.03	-107.64
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388590	1	38	-2.0	-103.04	365.14	4.07	-98.97
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C(C(=O)[O-])O1	REAL300000388591	0	31	-2.0	-104.45	302.69	4.31	-100.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C(C(=O)[O-])O1	REAL300000388591	1	30	-3.0	-162.78	303.13	4.79	-157.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C(F)=C1	REAL300000388592	0	31	-2.0	-124.77	299.86	4.30	-120.47
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388593	1	34	-2.0	-114.20	327.50	5.89	-108.31
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388594	1	38	-2.0	-113.56	343.18	6.47	-107.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C(F)=C1	REAL300000388598	0	30	-2.0	-116.88	305.38	7.24	-109.64
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(F)=C1	REAL300000388601	0	37	-2.0	-102.57	342.28	5.33	-97.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C(F)=C1	REAL300000388603	1	27	-2.0	-100.00	283.56	3.99	-96.01
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388606	1	34	-2.0	-118.18	333.44	2.76	-115.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C(F)=C1	REAL300000388607	0	30	-2.0	-120.35	297.68	6.72	-113.63
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388608	0	35	-2.0	-98.28	327.80	4.25	-94.03
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C(F)=C1	REAL300000388609	0	39	-2.0	-92.04	353.14	6.17	-85.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C(F)=C1	REAL300000388610	1	35	-2.0	-103.43	332.23	6.21	-97.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C(F)=C1	REAL300000388611	1	38	-2.0	-102.98	357.63	6.66	-96.32
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(F)=C1	REAL300000388612	0	31	-2.0	-101.03	316.75	5.78	-95.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C(F)=C1	REAL300000388613	1	27	-2.0	-99.81	268.64	3.46	-96.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)C(F)=C1	REAL300000388614	1	28	-2.0	-108.10	294.03	5.87	-102.23
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388617	0	31	-2.0	-107.55	315.29	4.86	-102.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C(F)=C1	REAL300000388620	0	34	-2.0	-105.72	344.48	5.86	-99.86
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C(F)=C1	REAL300000388621	1	27	-2.0	-97.50	296.81	4.23	-93.27
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=CC=C1OCC(=O)[O-]	REAL300000388622	0	38	-2.0	-98.45	351.27	6.55	-91.90
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3F)C=C12	REAL300000388625	1	32	-2.0	-95.90	311.41	2.07	-93.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C(F)=C1	REAL300000388628	1	28	-2.0	-110.70	279.01	5.30	-105.40
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000388629	0	32	-2.0	-107.56	309.65	4.68	-102.88
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388630	1	34	-2.0	-112.91	333.57	7.01	-105.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C(F)=C1	REAL300000388631	0	30	-2.0	-113.71	305.06	7.10	-106.61
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000388632	0	34	-2.0	-101.98	321.84	6.47	-95.51
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C(F)=C1	REAL300000388633	1	34	-2.0	-110.66	314.79	4.75	-105.91
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=CN1C	REAL300000388634	0	31	-2.0	-114.70	295.35	3.98	-110.72
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000388635	0	35	-2.0	-101.74	337.47	5.91	-95.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C(F)=C1	REAL300000388636	1	32	-2.0	-107.44	309.67	5.14	-102.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000388638	1	31	-2.0	-102.25	297.74	3.66	-98.59
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388642	1	34	-2.0	-112.94	323.24	6.56	-106.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C(F)=C1	REAL300000388643	0	36	-2.0	-112.47	337.23	5.66	-106.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C(F)=C1	REAL300000388644	1	31	-2.0	-107.44	311.80	6.24	-101.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C(F)=C1	REAL300000388646	0	28	-2.0	-107.49	299.30	5.29	-102.20
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000388647	0	38	-2.0	-103.27	349.26	6.54	-96.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C(F)=C1	REAL300000388650	1	28	-2.0	-105.90	286.77	5.81	-100.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)CCOCC(F)(F)F)C(F)=C1	REAL300000388652	1	31	-2.0	-98.64	309.98	3.32	-95.32
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388657	0	34	-2.0	-111.94	328.87	3.41	-108.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)CC2CCCO2)C(F)=C1	REAL300000388659	1	32	-2.0	-107.24	291.01	3.30	-103.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)CC2CCCCO2)C(F)=C1	REAL300000388660	1	35	-2.0	-105.71	308.51	4.36	-101.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C(F)C=C1F	REAL300000388663	1	34	-2.0	-98.35	336.46	5.83	-92.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000388664	1	31	-2.0	-108.87	298.57	5.83	-103.04
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)O1	REAL300000388667	0	31	-2.0	-98.67	311.20	3.89	-94.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C(F)=C1	REAL300000388668	1	33	-2.0	-121.01	311.60	5.73	-115.28
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C(F)=C1	REAL300000388669	0	34	-2.0	-109.18	338.08	5.79	-103.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C(F)=C1	REAL300000388670	1	28	-2.0	-96.42	289.87	5.27	-91.15
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C(C(=O)[O-])S1	REAL300000388671	0	31	-2.0	-106.80	308.28	5.07	-101.73
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388673	1	32	-2.0	-111.23	309.84	5.04	-106.19
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388675	0	34	-2.0	-111.96	329.82	2.68	-109.28
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388681	1	40	-2.0	-104.35	350.78	5.71	-98.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)SC=C1	REAL300000388682	1	28	-2.0	-104.45	279.88	4.91	-99.54
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000388684	1	37	-2.0	-103.84	330.17	4.99	-98.85
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C1[N+](=O)[O-]	REAL300000388692	1	33	-2.0	-107.96	316.92	6.44	-101.52
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388697	1	32	-2.0	-106.56	309.30	5.56	-101.00
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000388703	1	29	-2.0	-100.72	297.96	5.55	-95.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C(F)=C1	REAL300000388704	1	31	-2.0	-109.00	310.05	7.14	-101.86
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000388706	1	34	-2.0	-102.23	316.42	4.18	-98.05
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388707	1	33	-2.0	-122.80	314.18	1.56	-121.24
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000388709	1	34	-2.0	-107.69	331.04	3.87	-103.82
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=CN1	REAL300000388710	0	34	-2.0	-112.04	315.63	3.53	-108.51
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C([N+](=O)[O-])=C1	REAL300000388711	0	31	-2.0	-107.64	313.49	6.90	-100.74
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=NN1C1=CC=CC=N1	REAL300000388713	1	37	-2.0	-107.14	343.86	6.48	-100.66
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000388714	1	39	-2.0	-100.18	354.26	4.72	-95.46
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388715	1	32	-2.0	-102.89	328.46	6.38	-96.51
CC(C)OCCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388718	1	34	-2.0	-99.17	310.68	3.60	-95.57
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(F)=C1	REAL300000388721	0	31	-2.0	-92.84	312.21	5.75	-87.09
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000388722	0	31	-2.0	-102.57	304.52	5.60	-96.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C(F)=C1	REAL300000388724	1	35	-2.0	-106.50	336.62	6.37	-100.13
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388725	0	28	-2.0	-103.45	305.85	5.46	-97.99
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000388731	1	39	-2.0	-107.95	359.40	5.86	-102.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C(F)=C1	REAL300000388732	1	31	-2.0	-99.26	316.47	3.16	-96.10
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388733	0	28	-2.0	-100.87	294.14	4.77	-96.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388733	1	27	-3.0	-158.67	292.38	4.78	-153.89
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388734	0	37	-2.0	-111.52	336.24	6.07	-105.45
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2)C(F)=C1	REAL300000388735	0	31	-2.0	-105.42	306.57	5.63	-99.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=C1F	REAL300000388736	0	34	-2.0	-92.92	324.11	5.90	-87.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1F	REAL300000388736	1	33	-3.0	-169.50	325.87	6.34	-163.16
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000388739	0	31	-2.0	-98.87	303.80	5.28	-93.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000388739	1	30	-3.0	-157.03	305.58	5.72	-151.31
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(F)=C1	REAL300000388740	0	31	-2.0	-98.54	312.50	5.95	-92.59
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388746	0	30	-2.0	-101.16	295.93	3.70	-97.46
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=CC=C1[O-]	REAL300000388749	1	36	-2.0	-95.85	333.23	1.94	-93.91
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000388752	0	34	-2.0	-102.77	330.54	6.86	-95.91
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388754	0	28	-2.0	-98.37	304.87	5.41	-92.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C(F)=C1	REAL300000388756	0	31	-2.0	-101.63	327.31	7.04	-94.59
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000388759	0	39	-2.0	-99.26	363.81	6.97	-92.29
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388760	0	34	-2.0	-103.38	325.13	4.65	-98.73
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000388762	0	31	-2.0	-95.32	310.95	5.65	-89.67
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(F)=C1	REAL300000388763	0	33	-2.0	-101.61	328.39	6.23	-95.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C(F)=C1	REAL300000388764	1	31	-2.0	-106.49	325.00	6.97	-99.52
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388765	1	38	-2.0	-119.11	350.18	5.63	-113.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C(F)C=C1F	REAL300000388768	1	31	-2.0	-101.11	303.87	5.85	-95.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C(F)=C1	REAL300000388769	1	34	-2.0	-113.13	323.44	8.17	-104.96
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C1[N+](=O)[O-]	REAL300000388772	1	33	-2.0	-106.03	324.59	6.93	-99.10
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388774	0	35	-2.0	-105.35	349.51	4.19	-101.16
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(F)=C1	REAL300000388776	0	31	-3.0	-170.50	304.43	4.23	-166.27
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(F)=C1	REAL300000388776	1	32	-2.0	-106.67	309.05	2.81	-103.86
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388778	1	33	-2.0	-105.15	335.55	4.48	-100.67
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000388779	0	34	-2.0	-96.15	322.32	6.35	-89.80
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)O1	REAL300000388781	0	34	-2.0	-98.80	333.07	4.82	-93.98
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388783	1	33	-2.0	-118.67	320.79	6.14	-112.53
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388786	1	31	-2.0	-113.34	314.40	5.81	-107.53
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)SC=C1	REAL300000388787	0	29	-2.0	-112.27	293.83	3.38	-108.89
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)OC2=CC=C(F)C=C12	REAL300000388789	0	34	-2.0	-107.32	323.99	6.29	-101.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(F)=C1	REAL300000388790	0	31	-2.0	-106.36	301.42	5.48	-100.88
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3F)C=CC=C2C=C1	REAL300000388791	1	36	-2.0	-122.71	333.18	6.34	-116.37
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)SC2=CC=CC(F)=C12	REAL300000388797	1	34	-2.0	-107.49	329.15	7.30	-100.19
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1F	REAL300000388799	1	33	-2.0	-102.56	325.67	6.47	-96.09
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388800	0	30	-2.0	-109.71	304.91	3.85	-105.86
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3F)C=NC2=C1Cl	REAL300000388802	1	33	-2.0	-95.10	332.65	5.05	-90.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C(F)=C1	REAL300000388803	1	28	-2.0	-108.88	291.30	6.03	-102.85
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388805	1	28	-2.0	-98.14	282.21	4.14	-94.00
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)N=C1Cl	REAL300000388806	0	28	-2.0	-107.47	291.84	3.93	-103.54
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000388808	0	31	-2.0	-94.87	320.84	6.08	-88.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C(F)=C1	REAL300000388809	1	29	-2.0	-109.66	287.50	3.84	-105.82
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000388810	1	36	-2.0	-121.84	318.32	7.98	-113.86
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3F)S2)=CS1	REAL300000388811	0	34	-2.0	-103.91	351.12	5.66	-98.25
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388812	1	29	-2.0	-100.24	289.46	3.01	-97.23
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388813	0	27	-2.0	-104.70	275.77	3.03	-101.67
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000388816	0	34	-2.0	-98.91	311.17	6.29	-92.62
COCCOCCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388817	1	35	-2.0	-101.58	324.03	2.12	-99.46
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=CC(C(=O)[O-])=C1F	REAL300000388819	0	34	-2.0	-114.69	325.02	6.21	-108.48
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000388820	0	34	-2.0	-100.42	316.67	6.43	-93.99
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388821	1	34	-2.0	-114.03	326.18	6.29	-107.74
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000388823	0	29	-2.0	-101.79	300.96	5.77	-96.02
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000388825	1	31	-2.0	-108.17	299.43	5.95	-102.22
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=CC(C(=O)[O-])=C1C	REAL300000388827	0	37	-2.0	-97.44	333.03	6.63	-90.81
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(F)=C1	REAL300000388830	0	33	-2.0	-121.42	326.78	6.65	-114.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C(F)=C1	REAL300000388831	0	31	-2.0	-101.64	317.00	6.60	-95.04
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(F)=C1	REAL300000388833	0	31	-2.0	-90.33	310.17	5.32	-85.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(F)=C1	REAL300000388833	1	30	-3.0	-159.32	311.86	5.78	-153.54
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388835	1	34	-2.0	-109.92	333.62	7.00	-102.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C(F)=C1	REAL300000388836	0	27	-2.0	-102.58	290.62	4.54	-98.04
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388837	0	34	-2.0	-115.52	312.68	5.57	-109.95
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000388838	1	33	-2.0	-96.72	322.40	3.92	-92.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C(F)=C1	REAL300000388839	1	27	-2.0	-94.71	297.10	4.28	-90.43
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C(C)=C1C(=O)[O-]	REAL300000388840	0	37	-2.0	-102.94	335.09	7.04	-95.90
CC1=CC(F)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000388841	0	34	-2.0	-92.18	319.83	5.80	-86.38
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000388841	1	33	-3.0	-174.60	317.18	6.35	-168.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=C1Cl	REAL300000388842	0	34	-2.0	-101.47	330.92	6.32	-95.15
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388843	0	34	-2.0	-120.51	323.48	5.90	-114.61
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388843	1	33	-3.0	-177.87	325.17	6.34	-171.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1	REAL300000388844	0	28	-2.0	-96.70	294.48	5.66	-91.04
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000388846	1	35	-2.0	-100.65	331.41	2.71	-97.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C([N+](=O)[O-])=N1	REAL300000388847	0	33	-2.0	-110.28	321.97	5.94	-104.34
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)C(F)=C1	REAL300000388848	1	28	-2.0	-105.25	290.12	5.95	-99.30
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000388850	0	37	-2.0	-112.80	334.37	6.75	-106.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C(F)=C1	REAL300000388851	1	39	-2.0	-102.19	348.82	3.63	-98.56
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1C#N	REAL300000388854	1	32	-2.0	-113.66	308.91	5.90	-107.76
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000388856	0	34	-2.0	-97.00	321.74	5.59	-91.41
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388857	1	37	-2.0	-104.44	344.66	6.74	-97.70
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388858	0	34	-2.0	-111.42	318.98	5.85	-105.57
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C(F)=C1	REAL300000388859	1	36	-2.0	-100.68	329.70	2.84	-97.84
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388861	1	36	-2.0	-104.07	345.09	7.16	-96.91
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1F	REAL300000388862	1	31	-2.0	-110.20	297.47	5.80	-104.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C(F)=C1	REAL300000388864	0	35	-2.0	-115.23	317.61	5.12	-110.11
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1CC(=O)[O-]	REAL300000388865	0	38	-2.0	-103.35	350.64	5.69	-97.66
COC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388867	1	33	-2.0	-99.74	305.54	2.94	-96.80
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C(C)O1	REAL300000388870	1	31	-2.0	-107.24	290.19	4.77	-102.47
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C(C(=O)OC)O1	REAL300000388876	1	37	-2.0	-99.31	348.66	5.51	-93.80
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388878	1	31	-2.0	-105.02	305.30	5.50	-99.52
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C2=NC=CC=C2C=C1	REAL300000388880	1	36	-2.0	-125.39	320.87	6.96	-118.43
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388883	1	34	-2.0	-109.26	323.29	6.56	-102.70
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000388885	0	34	-2.0	-91.27	324.26	6.36	-84.91
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C(C)O1	REAL300000388887	1	34	-2.0	-99.21	329.50	4.66	-94.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C(F)=C1	REAL300000388888	1	27	-2.0	-100.05	278.99	3.88	-96.17
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=CC(C(=O)[O-])=C1Cl	REAL300000388889	0	34	-2.0	-111.36	331.42	6.52	-104.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)N=C1C	REAL300000388890	0	34	-2.0	-113.47	317.27	4.88	-108.59
CCN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000388893	0	35	-2.0	-98.83	329.91	5.85	-92.98
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388894	0	31	-2.0	-102.87	311.54	3.84	-99.03
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388895	1	40	-2.0	-105.06	351.14	5.65	-99.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C(F)=C1	REAL300000388898	1	28	-2.0	-109.38	287.71	5.89	-103.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(Cl)=N1	REAL300000388899	1	30	-2.0	-104.23	301.56	4.41	-99.82
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388900	1	33	-2.0	-103.98	320.70	5.28	-98.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C(F)=C1	REAL300000388901	1	35	-2.0	-105.65	336.72	6.29	-99.36
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388903	0	30	-2.0	-104.38	297.25	3.78	-100.60
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3F)C=C12	REAL300000388904	1	35	-2.0	-95.24	332.90	2.80	-92.44
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388905	0	30	-2.0	-99.24	309.79	5.42	-93.82
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=CN=C1Cl	REAL300000388907	1	31	-2.0	-94.82	312.51	3.04	-91.78
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C(C)=C1CC(=O)[O-]	REAL300000388912	0	43	-2.0	-121.31	368.43	8.09	-113.22
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388914	1	43	-2.0	-103.74	370.92	6.58	-97.16
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(Cl)=C1	REAL300000388916	1	29	-2.0	-98.52	305.55	6.04	-92.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C(F)=C1	REAL300000388917	1	31	-2.0	-113.43	299.59	5.41	-108.02
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388918	1	33	-2.0	-104.97	317.19	4.04	-100.93
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388919	1	39	-2.0	-118.02	357.38	5.27	-112.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C(F)=C1	REAL300000388920	0	25	-2.0	-98.35	276.04	3.82	-94.53
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C(C2=CC=CC=C2)S1	REAL300000388921	0	37	-2.0	-112.18	352.97	6.66	-105.52
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C(C2=CC=CC=C2)O1	REAL300000388922	0	37	-2.0	-111.41	346.08	4.19	-107.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C(F)=C1	REAL300000388925	0	28	-2.0	-105.51	288.31	5.58	-99.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C(F)=C1	REAL300000388930	1	28	-2.0	-101.02	302.41	6.29	-94.73
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388931	1	28	-2.0	-98.16	300.65	5.31	-92.85
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(OC)=C1	REAL300000388932	1	38	-2.0	-106.20	354.65	5.54	-100.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C(F)=C1	REAL300000388934	1	31	-2.0	-100.06	315.90	6.16	-93.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C(F)=C1	REAL300000388936	1	31	-2.0	-101.76	309.59	3.99	-97.77
COC(=O)C(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F)C1=CC=CC=C1	REAL300000388939	1	40	-2.0	-102.39	359.08	7.91	-94.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C(F)=C1	REAL300000388940	1	36	-2.0	-99.39	341.11	6.38	-93.01
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(C)=CS1	REAL300000388942	1	34	-2.0	-114.66	326.88	6.26	-108.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C(F)=C1	REAL300000388944	0	27	-2.0	-111.41	284.35	5.49	-105.92
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388945	1	36	-2.0	-111.88	345.03	7.16	-104.72
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388946	0	27	-2.0	-93.29	266.07	1.52	-91.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C(F)=C1	REAL300000388948	1	27	-2.0	-99.78	288.41	4.95	-94.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C(F)=C1	REAL300000388953	1	32	-2.0	-106.16	299.64	4.52	-101.64
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388954	1	29	-2.0	-106.04	301.15	6.13	-99.91
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C(F)=C1	REAL300000388955	1	31	-2.0	-102.16	315.61	4.16	-98.00
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388957	1	36	-2.0	-118.31	325.63	5.60	-112.71
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388959	1	31	-2.0	-109.55	291.26	6.07	-103.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C(F)=C1	REAL300000388961	1	32	-2.0	-121.70	305.63	5.27	-116.43
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388962	1	41	-2.0	-103.82	361.85	6.56	-97.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)C(F)=C1	REAL300000388963	1	28	-2.0	-101.39	298.46	5.78	-95.61
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3F)C=CC=C12	REAL300000388964	1	36	-2.0	-120.90	329.55	6.28	-114.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C(F)=C1	REAL300000388967	1	29	-2.0	-111.68	296.43	3.40	-108.28
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000388968	1	31	-2.0	-105.41	291.81	2.66	-102.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)C(F)=C1	REAL300000388969	1	28	-2.0	-109.56	293.32	5.85	-103.71
COCCOCCOCCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388971	1	42	-2.0	-103.66	379.51	2.45	-101.21
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388974	1	34	-2.0	-103.74	322.07	6.37	-97.37
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000388975	0	34	-2.0	-92.59	328.57	6.45	-86.14
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388977	1	37	-2.0	-118.74	338.76	7.42	-111.32
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388978	1	36	-2.0	-105.89	325.64	3.33	-102.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)C(F)=C1	REAL300000388979	1	34	-2.0	-112.84	332.87	6.64	-106.20
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000388981	0	31	-2.0	-108.10	316.63	2.58	-105.52
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000388986	1	33	-2.0	-107.11	328.45	0.70	-106.41
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(N)=NO1	REAL300000388991	0	29	-2.0	-95.44	279.19	2.46	-92.98
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F)OCC(=O)N2	REAL300000388992	1	38	-2.0	-108.45	350.62	2.12	-106.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C(F)=C1	REAL300000388993	1	28	-2.0	-97.92	301.68	6.48	-91.44
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000388994	1	32	-2.0	-112.55	312.23	5.49	-107.06
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=NO1	REAL300000388997	1	39	-2.0	-105.07	352.91	5.87	-99.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C(F)=C1	REAL300000389001	1	30	-2.0	-96.30	321.53	6.33	-89.97
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000389002	0	26	-2.0	-99.78	279.75	4.74	-95.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C(F)=C1	REAL300000389003	1	30	-2.0	-96.26	313.37	6.29	-89.97
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000389006	1	34	-2.0	-103.41	331.91	5.82	-97.59
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389008	1	36	-2.0	-119.06	343.38	7.02	-112.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C(F)=C1	REAL300000389010	1	27	-2.0	-91.20	289.39	3.77	-87.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000389011	1	32	-2.0	-106.44	306.64	4.45	-101.99
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1[N+](=O)[O-]	REAL300000389012	1	36	-2.0	-116.76	332.61	8.41	-108.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)C(F)=C1	REAL300000389014	1	34	-2.0	-103.94	317.37	5.60	-98.34
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C(F)=C1	REAL300000389015	0	32	-2.0	-110.11	319.40	5.97	-104.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)N(C)N=C1	REAL300000389019	1	31	-2.0	-97.82	288.52	3.56	-94.26
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389020	1	37	-2.0	-113.57	349.36	6.81	-106.76
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)O1	REAL300000389023	0	26	-2.0	-96.64	275.59	3.64	-93.00
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C(F)C=C1C	REAL300000389024	1	40	-2.0	-103.99	369.80	7.27	-96.72
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389027	1	39	-2.0	-118.20	350.57	4.69	-113.51
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=CC=C1C(=O)[O-]	REAL300000389028	0	34	-2.0	-98.12	316.41	6.13	-91.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C(F)=C1	REAL300000389030	1	28	-2.0	-108.35	289.47	5.76	-102.59
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389032	0	39	-2.0	-104.41	350.24	6.22	-98.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C(F)=C1	REAL300000389035	1	31	-2.0	-107.08	309.85	7.09	-99.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C(F)=C1	REAL300000389036	1	31	-2.0	-110.73	303.74	6.54	-104.19
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389038	1	34	-2.0	-118.56	328.36	7.18	-111.38
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)N(C)N=C1	REAL300000389039	0	37	-2.0	-104.87	342.76	5.09	-99.78
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389040	1	41	-2.0	-118.61	372.04	6.54	-112.07
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3F)=C2O1	REAL300000389042	1	39	-2.0	-116.75	349.38	6.32	-110.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C(F)=C1	REAL300000389044	1	31	-2.0	-109.29	298.26	3.73	-105.56
N#CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389045	1	29	-2.0	-112.21	305.02	5.98	-106.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C(F)=C1	REAL300000389048	0	28	-2.0	-109.67	289.58	6.06	-103.61
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389049	1	34	-2.0	-128.27	316.07	2.68	-125.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C(F)=C1	REAL300000389051	0	25	-2.0	-103.45	279.64	4.55	-98.90
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389052	1	28	-2.0	-107.36	280.81	4.85	-102.51
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C(F)=C1	REAL300000389054	0	25	-2.0	-100.80	269.95	1.90	-98.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C(F)=C1	REAL300000389055	1	33	-2.0	-112.51	326.18	6.16	-106.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C(F)=C1	REAL300000389056	1	27	-2.0	-99.32	278.58	3.21	-96.11
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389058	1	37	-2.0	-99.24	336.19	4.16	-95.08
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C([N+](=O)[O-])=C1	REAL300000389060	0	35	-3.0	-164.78	343.38	7.85	-156.93
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C([N+](=O)[O-])=C1	REAL300000389060	1	36	-2.0	-91.31	338.80	7.35	-83.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(F)=C1	REAL300000389063	0	31	-2.0	-100.77	307.84	5.55	-95.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C(F)=C1	REAL300000389064	0	31	-2.0	-106.79	322.95	7.15	-99.64
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389065	1	33	-2.0	-114.34	312.75	4.70	-109.64
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389066	0	27	-2.0	-101.17	275.73	3.47	-97.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C(F)=C1	REAL300000389067	0	30	-2.0	-104.75	310.89	7.16	-97.59
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C(F)=C1	REAL300000389069	0	32	-2.0	-92.97	314.78	4.65	-88.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C(F)=C1	REAL300000389070	1	34	-2.0	-100.00	327.57	6.49	-93.51
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)C(F)=C1	REAL300000389071	1	30	-2.0	-96.37	320.45	4.89	-91.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)N=S2(=O)CCCC2)C(F)=C1	REAL300000389072	1	32	-2.0	-133.77	298.39	2.45	-131.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C(F)=C1	REAL300000389074	0	25	-2.0	-105.61	269.94	4.14	-101.47
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C(F)=C1	REAL300000389076	1	34	-2.0	-117.20	332.46	3.54	-113.66
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(C(F)(F)F)=N1	REAL300000389077	0	31	-2.0	-104.48	310.30	3.94	-100.54
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F)C1=CC=CC=C1	REAL300000389080	1	38	-2.0	-104.87	346.42	6.16	-98.71
COC(=O)C1(CS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)CCCCC1	REAL300000389081	1	43	-2.0	-108.99	357.22	6.62	-102.37
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C(F)C=C1[N+](=O)[O-]	REAL300000389082	1	33	-2.0	-96.85	321.36	6.34	-90.51
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000389083	0	34	-2.0	-109.78	321.19	6.47	-103.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C(F)=C1	REAL300000389084	1	29	-2.0	-102.85	304.55	4.39	-98.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(F)=C1	REAL300000389085	0	32	-3.0	-181.35	323.86	7.52	-173.83
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(F)=C1	REAL300000389085	1	33	-2.0	-101.26	322.74	7.00	-94.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C(F)=C1	REAL300000389087	1	32	-2.0	-107.79	318.52	5.04	-102.75
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389089	1	28	-2.0	-127.46	277.01	1.03	-126.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C(F)C=C1C	REAL300000389090	1	37	-2.0	-107.97	343.51	6.44	-101.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C(F)=C1	REAL300000389091	0	28	-2.0	-96.08	304.24	5.28	-90.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C(F)=C1	REAL300000389092	0	33	-2.0	-109.64	308.65	2.02	-107.62
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000389093	1	31	-2.0	-109.66	297.35	5.81	-103.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C(F)=C1	REAL300000389095	1	29	-2.0	-97.76	290.61	4.04	-93.72
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C(Br)N1C	REAL300000389097	0	31	-2.0	-112.91	313.42	4.48	-108.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=NN1C	REAL300000389104	1	31	-2.0	-102.98	292.32	3.33	-99.65
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389107	1	31	-2.0	-103.00	295.04	3.45	-99.55
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389109	1	28	-2.0	-99.51	283.10	3.78	-95.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C(F)=C1	REAL300000389113	0	28	-2.0	-101.78	287.30	2.62	-99.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C(F)=C1	REAL300000389114	0	34	-2.0	-98.60	317.95	5.02	-93.58
COC(=O)C1(CS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)CCCC1	REAL300000389117	1	40	-2.0	-108.77	344.99	6.20	-102.57
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C(F)=C1	REAL300000389120	1	36	-2.0	-95.58	342.80	3.66	-91.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C(F)=C1	REAL300000389122	1	31	-2.0	-101.12	308.89	2.66	-98.46
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000389125	1	32	-2.0	-113.07	323.24	1.73	-111.34
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000389126	0	31	-2.0	-120.56	302.04	5.23	-115.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000389126	1	30	-3.0	-177.12	303.76	5.67	-171.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C(F)=C1	REAL300000389127	0	25	-2.0	-111.90	266.59	3.19	-108.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C(F)=C1	REAL300000389128	1	30	-2.0	-115.49	302.85	4.51	-110.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C(F)=C1	REAL300000389131	1	34	-2.0	-112.46	322.16	7.40	-105.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C(F)=C1	REAL300000389132	1	31	-2.0	-108.39	311.80	4.17	-104.22
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389133	1	34	-2.0	-113.20	335.68	6.72	-106.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C(F)=C1	REAL300000389136	1	32	-2.0	-107.01	311.66	5.30	-101.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C(F)=C1	REAL300000389137	1	33	-2.0	-114.47	307.97	4.93	-109.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C(F)=C1	REAL300000389140	1	32	-2.0	-107.19	321.98	5.75	-101.44
CCC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F)OC	REAL300000389141	1	34	-2.0	-102.98	306.78	3.62	-99.36
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389142	1	41	-2.0	-105.13	360.34	6.51	-98.62
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389143	1	40	-2.0	-103.59	341.99	4.65	-98.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)CCOCC2CC2)C(F)=C1	REAL300000389144	1	35	-2.0	-99.14	322.08	4.44	-94.70
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000389146	0	31	-2.0	-115.54	297.15	6.13	-109.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C(F)=C1	REAL300000389147	1	27	-2.0	-100.87	292.28	4.38	-96.49
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1Br	REAL300000389148	0	28	-2.0	-99.44	295.25	3.25	-96.19
CS(=O)(=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F)C1=CC=CC=C1	REAL300000389150	1	35	-2.0	-124.68	333.84	3.81	-120.87
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000389151	0	34	-2.0	-92.47	319.84	6.06	-86.41
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F)C1CC1	REAL300000389152	1	35	-2.0	-105.63	312.90	4.87	-100.76
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389153	1	32	-2.0	-112.74	301.90	5.03	-107.71
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389156	1	44	-2.0	-118.19	371.67	7.29	-110.90
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F)C1CCOCC1	REAL300000389157	1	42	-2.0	-100.16	352.86	3.56	-96.60
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389159	0	27	-2.0	-95.52	268.61	3.05	-92.47
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC([O-])=CC(C(F)(F)F)=C2)C(F)=C1	REAL300000389160	1	32	-2.0	-89.80	318.27	3.93	-85.87
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389164	1	37	-2.0	-110.01	352.22	6.44	-103.57
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C([N+](=O)[O-])S1	REAL300000389165	0	30	-2.0	-111.22	306.24	6.28	-104.94
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389166	1	33	-2.0	-117.94	312.25	1.00	-116.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)C(F)=C1	REAL300000389167	1	30	-2.0	-95.83	310.16	5.10	-90.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C(F)=C1	REAL300000389169	0	27	-2.0	-106.81	272.16	3.27	-103.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)CCOCC2CCC2)C(F)=C1	REAL300000389173	1	38	-2.0	-99.11	338.65	4.97	-94.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)C(F)=C1	REAL300000389174	0	30	-2.0	-102.69	322.25	5.09	-97.60
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=CS1	REAL300000389175	1	26	-2.0	-108.04	282.04	4.49	-103.55
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389176	1	35	-2.0	-109.13	339.42	6.84	-102.29
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F)C(C)C	REAL300000389178	1	37	-2.0	-103.33	321.42	4.40	-98.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C(F)=C1	REAL300000389180	1	37	-2.0	-111.43	333.36	5.44	-105.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C(F)=C1	REAL300000389182	1	36	-2.0	-114.20	323.85	6.31	-107.89
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389183	1	38	-2.0	-104.35	344.59	4.00	-100.35
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000389184	1	37	-2.0	-102.91	353.77	6.74	-96.17
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3F)S2)C1	REAL300000389189	0	39	-2.0	-105.17	362.89	5.63	-99.54
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(=O)NC1=O	REAL300000389193	0	31	-2.0	-108.28	300.07	1.79	-106.49
CC(C)OC1(CS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)CCOC1	REAL300000389194	1	42	-2.0	-105.70	347.53	4.12	-101.58
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)N(C)N=C1	REAL300000389197	0	34	-2.0	-104.62	320.87	4.17	-100.45
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F)C1=CC=C(F)C=C1	REAL300000389200	1	38	-2.0	-109.65	341.53	6.41	-103.24
CCOC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F)C1CC1	REAL300000389201	1	38	-2.0	-104.34	335.08	5.43	-98.91
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C(F)=C1	REAL300000389202	1	35	-2.0	-115.59	333.75	6.97	-108.62
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)N1C	REAL300000389203	1	31	-2.0	-101.88	290.81	4.15	-97.73
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1F	REAL300000389204	1	34	-2.0	-105.59	336.48	5.83	-99.76
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F)C1CCCC1	REAL300000389206	1	41	-2.0	-103.14	345.50	5.79	-97.35
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F)C1CCCCC1	REAL300000389207	1	44	-2.0	-101.80	361.93	5.95	-95.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C(F)=C1	REAL300000389208	1	41	-2.0	-101.42	372.63	7.42	-94.00
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000389209	0	33	-2.0	-110.03	316.90	7.19	-102.84
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=CN1CC1CC1	REAL300000389210	0	41	-2.0	-114.93	370.53	7.04	-107.89
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)O1	REAL300000389211	0	34	-2.0	-99.22	329.10	4.47	-94.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C(F)=C1	REAL300000389213	0	31	-2.0	-101.32	311.41	4.60	-96.72
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(F)=C1	REAL300000389216	0	37	-2.0	-102.06	340.82	7.68	-94.38
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389217	1	31	-2.0	-94.84	308.85	3.81	-91.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C(F)=C1	REAL300000389218	1	27	-2.0	-99.88	289.04	3.70	-96.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1F	REAL300000389221	1	31	-2.0	-110.61	299.32	5.96	-104.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C(F)=C1	REAL300000389222	0	27	-2.0	-99.91	293.63	3.77	-96.14
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)OC=C1	REAL300000389223	0	31	-2.0	-115.15	299.37	4.63	-110.52
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000389225	0	30	-2.0	-116.10	298.75	4.07	-112.03
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(C)=N1	REAL300000389226	1	40	-2.0	-102.69	359.58	5.85	-96.84
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389227	1	41	-2.0	-104.20	366.76	6.58	-97.62
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389228	0	29	-3.0	-168.98	296.34	3.77	-165.21
O=C([O-])C1=CC=NC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389228	1	30	-2.0	-105.31	296.29	3.69	-101.62
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389229	1	32	-2.0	-109.13	300.03	5.33	-103.80
CS(=O)(=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F)C1=CC=CC=C1F	REAL300000389233	1	35	-2.0	-123.20	340.51	4.02	-119.18
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1C(F)(F)F	REAL300000389234	0	31	-2.0	-99.72	304.80	3.72	-96.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C(F)=C1	REAL300000389235	1	30	-2.0	-106.60	290.51	4.24	-102.36
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389237	1	38	-2.0	-101.28	332.65	5.21	-96.07
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(C(C)(C)C)=N1	REAL300000389238	1	40	-2.0	-102.67	340.02	5.71	-96.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C(F)=C1	REAL300000389240	1	38	-2.0	-102.20	339.06	5.44	-96.76
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389241	0	31	-2.0	-96.04	305.95	4.00	-92.04
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(Br)=N1	REAL300000389242	0	28	-2.0	-102.99	296.86	3.29	-99.70
CS(=O)(=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F)C1CCCCC1	REAL300000389245	1	41	-2.0	-126.48	359.29	4.50	-121.98
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C(F)=C1	REAL300000389246	0	29	-2.0	-94.04	282.47	3.72	-90.32
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389248	0	31	-2.0	-121.48	298.25	2.82	-118.66
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389249	1	34	-2.0	-103.12	314.51	4.25	-98.87
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000389251	1	28	-2.0	-97.60	276.87	2.44	-95.16
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389259	0	28	-2.0	-98.26	286.48	0.98	-97.28
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389260	1	42	-2.0	-128.97	364.67	4.67	-124.30
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)O1	REAL300000389261	1	41	-2.0	-107.69	343.71	5.30	-102.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C(F)=C1	REAL300000389262	0	24	-2.0	-97.15	258.40	2.79	-94.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1F	REAL300000389265	0	35	-2.0	-96.91	326.24	5.41	-91.50
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C(C(N)=O)O1	REAL300000389266	1	32	-2.0	-102.95	311.17	0.71	-102.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C(F)=C1	REAL300000389268	1	28	-2.0	-99.74	291.89	5.01	-94.73
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)=C(Cl)O1	REAL300000389270	0	28	-2.0	-93.47	296.26	4.15	-89.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C(Cl)O1	REAL300000389270	1	27	-3.0	-161.02	295.80	4.72	-156.30
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1F	REAL300000389273	1	29	-2.0	-107.37	297.48	5.51	-101.86
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)N=N1	REAL300000389274	0	27	-2.0	-109.78	266.03	1.51	-108.27
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389275	0	31	-2.0	-98.61	321.80	4.47	-94.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C(F)=C1	REAL300000389278	1	35	-2.0	-102.29	321.56	4.77	-97.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C(F)=C1	REAL300000389279	1	35	-2.0	-99.24	318.95	4.99	-94.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C(F)=C1	REAL300000389280	1	38	-2.0	-99.53	341.06	5.70	-93.83
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389281	1	41	-2.0	-120.15	372.03	6.55	-113.60
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(F)=C1	REAL300000389282	0	29	-2.0	-93.15	308.63	4.67	-88.48
O=C([O-])C1=CC=C(NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C(F)=C1	REAL300000389283	0	33	-2.0	-90.62	316.37	5.00	-85.62
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3F)C=NN2C1	REAL300000389284	0	39	-2.0	-109.67	346.70	3.11	-106.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C(F)=C1	REAL300000389285	0	34	-2.0	-103.44	338.50	6.00	-97.44
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C(F)=C1	REAL300000389287	0	25	-2.0	-105.72	267.90	3.92	-101.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C(F)=C1	REAL300000389289	1	35	-2.0	-104.13	314.57	5.16	-98.97
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000389290	1	32	-2.0	-102.17	312.86	4.53	-97.64
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389292	1	38	-2.0	-114.37	341.67	6.57	-107.80
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3F)=C2O1	REAL300000389294	1	36	-2.0	-115.34	329.09	5.69	-109.65
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000389295	0	36	-2.0	-105.33	335.91	4.85	-100.48
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389297	0	32	-2.0	-110.83	303.70	5.83	-105.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C(F)=C1	REAL300000389298	1	34	-2.0	-110.55	325.35	5.72	-104.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C(F)=C1	REAL300000389300	1	25	-2.0	-102.41	277.08	4.53	-97.88
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389301	1	28	-2.0	-96.47	289.19	3.32	-93.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C(F)=C1	REAL300000389302	1	30	-2.0	-99.01	301.13	4.34	-94.67
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389303	0	33	-2.0	-118.85	313.39	4.68	-114.17
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389304	0	30	-2.0	-92.69	286.89	2.42	-90.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C(F)=C1	REAL300000389307	0	31	-2.0	-106.32	310.50	6.53	-99.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C(F)=C1	REAL300000389308	0	31	-2.0	-118.30	316.57	4.79	-113.51
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389309	1	35	-2.0	-98.24	323.60	4.81	-93.43
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1OC	REAL300000389311	1	36	-2.0	-114.02	323.03	5.11	-108.91
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C(F)=C1	REAL300000389314	1	31	-2.0	-106.89	301.43	5.38	-101.51
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1OC	REAL300000389315	0	36	-2.0	-112.53	331.14	5.42	-107.11
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(C2CCCC2)=N1	REAL300000389316	1	41	-2.0	-106.50	360.41	6.00	-100.50
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C2=CC=CC=C2S1	REAL300000389317	1	32	-2.0	-113.05	318.09	7.11	-105.94
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(C2CC2)=N1	REAL300000389318	1	35	-2.0	-105.49	326.96	5.03	-100.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C(F)=C1	REAL300000389320	0	31	-2.0	-111.89	301.09	4.29	-107.60
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3F)C=CC=C21	REAL300000389321	1	33	-2.0	-122.14	316.20	3.50	-118.64
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389324	0	28	-2.0	-102.15	288.95	0.97	-101.18
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(C2CCC2)=N1	REAL300000389327	1	38	-2.0	-105.90	343.17	5.50	-100.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C(F)=C1	REAL300000389329	1	25	-2.0	-101.88	277.50	4.63	-97.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C(F)=C1	REAL300000389330	1	38	-2.0	-102.80	345.65	5.74	-97.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C(F)=C1	REAL300000389331	1	32	-2.0	-108.99	309.78	6.21	-102.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C(F)=C1	REAL300000389332	1	39	-2.0	-110.79	370.17	7.91	-102.88
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C2=NC=CC=C2C=C1	REAL300000389334	1	37	-2.0	-133.81	332.66	6.37	-127.44
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389336	1	34	-2.0	-99.93	323.51	3.54	-96.39
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389337	1	29	-2.0	-107.33	296.17	5.46	-101.87
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389338	1	35	-2.0	-102.07	317.35	4.62	-97.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C(F)=C1	REAL300000389339	1	32	-2.0	-91.85	328.10	6.43	-85.42
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389342	1	37	-2.0	-97.25	318.64	4.99	-92.26
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000389343	1	37	-2.0	-102.97	336.15	4.81	-98.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C(F)=C1	REAL300000389344	1	35	-2.0	-103.15	320.24	4.19	-98.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C(F)=C1	REAL300000389350	1	28	-2.0	-103.61	293.22	5.47	-98.14
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389352	1	31	-2.0	-97.67	293.86	3.32	-94.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C(F)=C1	REAL300000389360	1	34	-2.0	-100.13	334.09	6.13	-94.00
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389361	1	33	-2.0	-106.68	326.02	5.65	-101.03
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1Cl	REAL300000389363	1	29	-2.0	-104.78	304.28	5.94	-98.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C(F)=C1	REAL300000389365	1	28	-2.0	-104.82	291.67	5.33	-99.49
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=CS1	REAL300000389367	1	29	-2.0	-108.25	293.92	3.53	-104.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C(F)=C1	REAL300000389368	1	31	-2.0	-107.07	299.52	6.64	-100.43
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389369	1	34	-2.0	-99.83	336.63	5.40	-94.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C(F)=C1	REAL300000389370	1	35	-2.0	-107.63	326.38	7.26	-100.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C(F)=C1	REAL300000389371	1	38	-2.0	-99.66	336.47	5.69	-93.97
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389372	1	37	-2.0	-98.88	331.59	4.99	-93.89
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389375	0	31	-2.0	-114.08	321.17	1.69	-112.39
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3F)C2=N1	REAL300000389376	1	33	-2.0	-114.33	315.26	3.46	-110.87
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)O1	REAL300000389377	0	31	-2.0	-103.76	297.74	4.69	-99.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C(F)=C1	REAL300000389378	0	28	-2.0	-97.06	295.51	4.32	-92.74
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389379	1	32	-2.0	-101.00	312.61	5.01	-95.99
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(C2CCOCC2)=N1	REAL300000389380	1	42	-2.0	-104.75	370.00	4.23	-100.52
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000389384	1	29	-2.0	-101.28	295.44	3.54	-97.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C(F)=C1	REAL300000389387	1	31	-2.0	-99.95	304.33	3.79	-96.16
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1Cl	REAL300000389389	0	31	-2.0	-100.26	323.33	4.56	-95.70
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389390	1	38	-2.0	-103.59	346.91	6.38	-97.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C(F)=C1	REAL300000389391	1	41	-2.0	-101.91	358.05	6.04	-95.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C(F)=C1	REAL300000389395	1	31	-2.0	-107.17	297.16	5.50	-101.67
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000389397	0	30	-2.0	-105.52	287.95	2.06	-103.46
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1Cl	REAL300000389398	0	31	-2.0	-100.06	313.32	4.02	-96.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C(F)=C1	REAL300000389399	0	30	-2.0	-98.71	312.67	4.37	-94.34
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C(F)=C1	REAL300000389400	1	33	-2.0	-116.44	328.12	6.27	-110.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C(F)=C1	REAL300000389401	0	25	-2.0	-98.03	271.41	3.71	-94.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C(F)=C1	REAL300000389406	1	28	-2.0	-102.74	294.75	5.79	-96.95
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)O1	REAL300000389407	0	34	-2.0	-117.46	330.86	1.48	-115.98
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(C2=CC=CC=C2)=N1	REAL300000389408	1	38	-2.0	-108.13	349.08	6.51	-101.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C(F)=C1	REAL300000389410	1	32	-2.0	-104.51	315.48	6.41	-98.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C(F)=C1	REAL300000389413	0	24	-2.0	-94.27	275.58	3.52	-90.75
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=NN1	REAL300000389415	0	34	-2.0	-102.32	332.02	2.89	-99.43
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1OC	REAL300000389416	0	33	-2.0	-105.45	324.61	3.11	-102.34
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C(F)=C1	REAL300000389417	0	29	-2.0	-85.93	307.28	3.67	-82.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C(F)=C1	REAL300000389419	1	32	-2.0	-108.22	315.55	6.17	-102.05
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389421	1	34	-2.0	-106.24	311.66	5.12	-101.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C(F)=C1	REAL300000389423	1	31	-2.0	-106.81	302.34	6.49	-100.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C(F)=C1	REAL300000389424	0	25	-2.0	-93.80	296.74	5.19	-88.61
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1Cl	REAL300000389425	0	28	-2.0	-99.70	291.53	3.17	-96.53
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389426	1	41	-2.0	-105.52	363.81	7.48	-98.04
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)OC=C1	REAL300000389430	0	26	-2.0	-108.99	271.39	3.63	-105.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C(F)=C1	REAL300000389432	1	29	-2.0	-105.69	313.16	3.88	-101.81
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000389433	0	37	-2.0	-111.58	349.16	4.24	-107.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(C2CC2)=N1	REAL300000389436	1	38	-2.0	-105.63	348.47	5.90	-99.73
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C2=NSN=C2C=C1	REAL300000389437	1	32	-2.0	-111.21	309.90	4.45	-106.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C(=O)NC(=O)N1	REAL300000389439	0	31	-2.0	-107.05	294.36	1.07	-105.98
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C(Cl)S1	REAL300000389441	1	31	-2.0	-112.50	323.55	6.10	-106.40
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389442	1	41	-2.0	-104.37	353.93	6.38	-97.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(F)=C1	REAL300000389443	1	25	-2.0	-101.03	270.43	3.60	-97.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C(F)=C1	REAL300000389444	0	25	-2.0	-102.41	276.05	4.70	-97.71
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389445	1	42	-2.0	-117.26	372.07	5.47	-111.79
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389447	1	36	-2.0	-99.43	323.95	2.85	-96.58
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389453	1	34	-2.0	-112.67	314.65	3.00	-109.67
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389455	1	31	-2.0	-106.68	309.95	2.85	-103.83
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000389457	1	37	-2.0	-101.91	334.60	5.24	-96.67
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389458	1	37	-2.0	-103.24	335.26	4.82	-98.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C(F)=C1	REAL300000389459	0	27	-2.0	-101.08	299.00	3.08	-98.00
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=CO1	REAL300000389460	1	26	-2.0	-104.41	274.62	3.50	-100.91
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)SC=C1	REAL300000389461	0	26	-2.0	-106.06	283.71	4.44	-101.62
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389463	1	34	-2.0	-98.35	313.36	4.36	-93.99
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000389464	1	36	-2.0	-100.68	334.02	4.54	-96.14
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(F)=C1	REAL300000389465	0	38	-2.0	-96.67	346.36	7.45	-89.22
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389466	0	31	-2.0	-111.05	313.54	6.89	-104.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C(F)=C1	REAL300000389467	1	35	-2.0	-98.45	323.87	5.23	-93.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C(F)=C1	REAL300000389468	1	35	-2.0	-103.86	325.38	6.24	-97.62
COC1=NOC(CS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389469	0	31	-2.0	-100.39	302.72	1.42	-98.97
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=NN1C(C)C	REAL300000389470	1	37	-2.0	-103.49	334.74	4.90	-98.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C(F)=C1	REAL300000389472	1	30	-2.0	-103.41	294.58	4.21	-99.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)C(F)=C1	REAL300000389473	0	28	-2.0	-107.36	305.88	1.38	-105.98
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(F)=C1	REAL300000389477	0	38	-2.0	-100.15	345.65	7.45	-92.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C(F)=C1	REAL300000389480	1	31	-2.0	-117.99	306.91	6.16	-111.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C(F)=C1	REAL300000389481	1	24	-2.0	-95.51	257.31	2.70	-92.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C(F)=C1	REAL300000389482	0	32	-2.0	-118.44	315.13	4.45	-113.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C(F)=C1	REAL300000389485	1	32	-2.0	-99.69	323.14	4.95	-94.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C(F)=C1	REAL300000389486	0	35	-2.0	-104.13	339.56	6.14	-97.99
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389490	1	33	-2.0	-112.33	312.45	4.68	-107.65
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389491	1	34	-2.0	-105.48	332.33	3.34	-102.14
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1F	REAL300000389492	0	34	-2.0	-121.73	320.99	6.63	-115.10
CCC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2F)C=C(C(=O)[O-])O1	REAL300000389494	0	34	-2.0	-103.92	322.83	5.12	-98.80
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)C=C(C(=O)[O-])O1	REAL300000389494	1	33	-3.0	-163.02	322.25	5.64	-157.38
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389495	1	41	-2.0	-118.82	356.70	7.16	-111.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C(F)=C1	REAL300000389497	0	24	-2.0	-99.60	258.25	2.21	-97.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C(F)=C1	REAL300000389498	1	35	-2.0	-108.99	312.97	4.51	-104.48
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000389499	1	31	-2.0	-113.57	294.15	5.91	-107.66
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CN1C	REAL300000389500	0	42	-2.0	-96.89	384.47	3.69	-93.20
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CN1C	REAL300000389501	0	35	-2.0	-113.50	332.54	5.13	-108.37
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=CN1C	REAL300000389502	0	43	-2.0	-115.57	387.62	6.20	-109.37
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CN1C	REAL300000389503	1	35	-2.0	-103.40	327.99	5.11	-98.29
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CN1C	REAL300000389504	0	35	-2.0	-116.33	328.01	5.11	-111.22
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CN1C	REAL300000389505	0	39	-2.0	-123.14	356.15	4.91	-118.23
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CN1C	REAL300000389506	0	39	-2.0	-103.03	359.46	6.40	-96.63
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CN1C	REAL300000389507	1	38	-2.0	-117.51	344.02	5.64	-111.87
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CN1C	REAL300000389508	0	35	-2.0	-112.83	341.08	5.68	-107.15
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN1C	REAL300000389509	0	35	-2.0	-111.98	340.52	5.50	-106.48
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CN1C	REAL300000389510	0	41	-2.0	-120.66	360.68	6.46	-114.20
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CN1C	REAL300000389511	0	35	-2.0	-114.44	333.46	5.18	-109.26
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CN1C	REAL300000389512	0	41	-2.0	-102.23	371.58	6.69	-95.54
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CN1C	REAL300000389513	0	32	-2.0	-110.42	321.18	4.14	-106.28
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CN1C	REAL300000389514	0	38	-2.0	-118.54	343.43	5.89	-112.65
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CN1C	REAL300000389515	1	39	-2.0	-101.69	359.08	5.39	-96.30
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CN1C	REAL300000389516	0	36	-2.0	-114.67	334.65	4.47	-110.20
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CN1C	REAL300000389517	1	39	-2.0	-118.71	352.21	3.90	-114.81
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CN1C	REAL300000389518	0	35	-2.0	-106.41	337.11	4.79	-101.62
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CN1C	REAL300000389519	1	41	-2.0	-120.08	359.07	6.45	-113.63
COC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CN1C	REAL300000389520	0	32	-2.0	-111.80	319.65	4.15	-107.65
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=CN1C	REAL300000389521	0	43	-2.0	-116.45	386.32	4.93	-111.52
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=CN1C	REAL300000389522	1	39	-2.0	-122.18	355.29	5.18	-117.00
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CN1C	REAL300000389523	0	45	-2.0	-122.60	383.24	7.75	-114.85
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CN1C	REAL300000389524	0	44	-2.0	-120.87	381.90	7.11	-113.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)C(C(=O)OC)=C1	REAL300000389525	0	41	-2.0	-117.08	358.13	6.83	-110.25
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=CN1C	REAL300000389526	0	42	-2.0	-122.49	378.43	5.68	-116.81
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CN1C	REAL300000389527	0	37	-3.0	-191.38	356.41	5.68	-185.70
COC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CN1C	REAL300000389527	1	38	-2.0	-116.46	357.35	5.67	-110.79
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CN1C	REAL300000389528	0	42	-2.0	-122.82	372.25	7.01	-115.81
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CN1C	REAL300000389529	0	35	-2.0	-110.81	331.01	4.26	-106.55
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CN1C	REAL300000389530	0	41	-2.0	-120.96	370.18	4.89	-116.07
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CN1C	REAL300000389531	0	39	-2.0	-117.06	356.98	4.20	-112.86
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=CN1C	REAL300000389532	1	43	-2.0	-102.52	380.93	5.71	-96.81
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CN1C	REAL300000389533	0	35	-2.0	-109.29	345.60	5.70	-103.59
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CN1C	REAL300000389534	1	42	-2.0	-102.21	379.16	6.09	-96.12
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CN1C	REAL300000389535	0	38	-2.0	-108.55	348.71	5.93	-102.62
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CN1C	REAL300000389536	0	39	-2.0	-101.00	365.31	5.45	-95.55
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000389537	1	42	-2.0	-122.76	377.16	6.08	-116.68
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CN1C	REAL300000389538	0	35	-2.0	-114.65	336.60	5.00	-109.65
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CN1C	REAL300000389539	0	35	-2.0	-100.89	341.04	5.66	-95.23
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CN1C	REAL300000389540	0	35	-2.0	-102.71	332.54	5.15	-97.56
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CN1C	REAL300000389541	0	32	-2.0	-105.14	320.29	4.24	-100.90
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CN1C	REAL300000389542	0	35	-2.0	-106.94	334.40	5.17	-101.77
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CN1C	REAL300000389543	0	38	-2.0	-115.85	353.74	5.81	-110.04
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CN1C	REAL300000389544	0	35	-2.0	-102.68	333.46	5.18	-97.50
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN1C	REAL300000389545	0	35	-2.0	-100.92	340.50	5.51	-95.41
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CN1C	REAL300000389546	0	38	-2.0	-110.40	357.44	6.31	-104.09
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CN1C	REAL300000389547	0	43	-2.0	-99.67	391.75	6.52	-93.15
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CN1C	REAL300000389548	0	35	-2.0	-104.80	338.83	5.20	-99.60
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CN1C	REAL300000389549	0	37	-2.0	-100.81	356.21	5.77	-95.04
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CN1C	REAL300000389550	0	36	-2.0	-117.92	337.72	2.83	-115.09
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CN1C	REAL300000389551	0	38	-2.0	-107.04	350.18	5.89	-101.15
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CN1C	REAL300000389552	0	35	-2.0	-106.37	348.72	5.63	-100.74
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CN1C	REAL300000389553	0	38	-2.0	-111.72	337.55	5.78	-105.94
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CN1C	REAL300000389554	0	38	-2.0	-114.95	352.83	5.75	-109.20
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CN1C	REAL300000389555	1	38	-2.0	-103.88	343.41	5.87	-98.01
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CN1C	REAL300000389556	1	41	-2.0	-120.80	364.80	6.27	-114.53
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CN1C	REAL300000389557	0	37	-2.0	-113.84	354.58	6.19	-107.65
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CN1C	REAL300000389558	0	35	-2.0	-105.57	339.76	5.23	-100.34
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CN1C	REAL300000389559	1	41	-2.0	-115.61	362.48	6.48	-109.13
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CN1C	REAL300000389560	0	38	-2.0	-116.84	353.32	5.80	-111.04
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CN1C	REAL300000389561	0	38	-2.0	-114.69	359.77	6.24	-108.45
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CN1C	REAL300000389562	0	38	-2.0	-119.95	353.04	5.79	-114.16
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000389563	1	41	-2.0	-118.22	362.25	6.29	-111.93
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=CN1C	REAL300000389564	1	42	-2.0	-118.78	378.48	5.23	-113.55
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CN1C	REAL300000389565	0	38	-2.0	-105.58	358.53	6.36	-99.22
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CN1C	REAL300000389566	0	38	-2.0	-113.89	359.22	6.06	-107.83
CCN1C=C(S(=O)(=O)[N-]C2=CN(C)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000389567	0	39	-2.0	-115.98	356.02	5.33	-110.65
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=CN1C	REAL300000389568	1	47	-2.0	-115.35	393.15	7.98	-107.37
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CN1C	REAL300000389569	0	38	-2.0	-110.54	361.74	6.17	-104.37
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CN1C	REAL300000389570	1	38	-2.0	-103.58	344.01	5.65	-97.93
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CN1C	REAL300000389571	0	40	-2.0	-108.34	371.28	7.30	-101.04
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CN1C	REAL300000389572	1	38	-2.0	-115.63	347.96	5.91	-109.72
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CN1C	REAL300000389573	0	37	-2.0	-122.04	351.73	6.96	-115.08
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CN1C	REAL300000389574	0	35	-2.0	-119.13	331.66	5.14	-113.99
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CN1C	REAL300000389575	0	38	-2.0	-108.68	352.94	5.78	-102.90
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CN1C	REAL300000389576	0	41	-2.0	-124.55	369.04	7.23	-117.32
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CN1C	REAL300000389577	0	34	-2.0	-114.85	324.99	3.18	-111.67
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CN1C	REAL300000389578	0	39	-2.0	-108.04	356.21	4.91	-103.13
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CN1C	REAL300000389579	0	32	-2.0	-104.10	328.13	4.09	-100.01
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CN1C	REAL300000389580	0	42	-2.0	-110.66	374.13	6.99	-103.67
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CN1C	REAL300000389581	0	42	-2.0	-112.48	373.47	6.99	-105.49
CCC1=C(S(=O)(=O)[N-]C2=CN(C)C(C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000389582	0	38	-2.0	-110.94	350.13	5.11	-105.83
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000389583	1	37	-2.0	-103.73	346.22	5.20	-98.53
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000389584	1	37	-2.0	-93.92	341.66	5.20	-88.72
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000389585	1	37	-2.0	-106.13	341.67	5.19	-100.94
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000389586	0	41	-2.0	-112.72	369.82	4.99	-107.73
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000389587	1	41	-2.0	-93.51	373.14	6.48	-87.03
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000389588	1	40	-2.0	-107.26	357.69	5.72	-101.54
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000389589	0	37	-2.0	-102.90	354.75	5.75	-97.15
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000389590	1	37	-2.0	-102.03	354.19	5.58	-96.45
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000389591	1	43	-2.0	-110.67	374.34	6.52	-104.15
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000389592	0	37	-2.0	-104.41	347.14	5.25	-99.16
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000389593	1	43	-2.0	-92.96	385.26	6.77	-86.19
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000389594	0	34	-2.0	-100.64	334.86	4.20	-96.44
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000389595	1	40	-2.0	-108.51	357.11	5.96	-102.55
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000389596	1	41	-2.0	-92.12	372.76	5.46	-86.66
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000389597	0	38	-2.0	-104.52	348.32	4.53	-99.99
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000389598	1	41	-2.0	-109.31	365.46	4.02	-105.29
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000389599	0	37	-2.0	-96.81	350.78	4.86	-91.95
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000389600	1	43	-2.0	-109.73	373.13	6.49	-103.24
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000389601	0	34	-2.0	-101.95	333.32	4.22	-97.73
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000389602	1	41	-2.0	-111.95	368.96	5.26	-106.69
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000389603	1	47	-2.0	-112.23	396.91	7.82	-104.41
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000389604	1	46	-2.0	-110.48	395.58	7.19	-103.29
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000389605	1	43	-2.0	-107.20	369.95	6.92	-100.28
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000389606	0	44	-2.0	-112.89	392.10	5.75	-107.14
CCNC1=CC=C(C#N)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000389607	0	40	-2.0	-113.44	369.13	5.74	-107.70
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000389607	1	39	-3.0	-181.17	370.08	5.75	-175.42
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000389608	1	44	-2.0	-112.61	385.92	7.07	-105.54
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000389609	0	37	-2.0	-101.33	344.68	4.33	-97.00
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000389610	0	41	-2.0	-105.27	370.59	4.28	-100.99
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000389611	0	37	-2.0	-99.70	359.26	5.78	-93.92
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000389612	1	44	-2.0	-92.63	392.83	6.17	-86.46
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000389613	1	40	-2.0	-99.00	362.39	5.99	-93.01
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000389614	1	41	-2.0	-91.74	378.98	5.53	-86.21
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000389615	1	44	-2.0	-112.61	390.83	6.16	-106.45
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000389616	0	37	-2.0	-104.75	351.37	5.05	-99.70
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000389617	0	37	-2.0	-91.37	354.73	5.75	-85.62
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000389618	1	37	-2.0	-93.42	346.20	5.23	-88.19
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000389619	0	34	-2.0	-95.64	333.94	4.31	-91.33
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000389620	0	37	-2.0	-97.19	348.09	5.25	-91.94
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000389621	0	40	-2.0	-105.83	367.43	5.89	-99.94
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000389622	0	37	-2.0	-93.05	347.14	5.26	-87.79
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000389623	1	37	-2.0	-91.46	354.17	5.59	-85.87
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000389624	1	40	-2.0	-100.75	371.12	6.37	-94.38
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000389625	1	37	-2.0	-95.47	352.50	5.28	-90.19
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000389626	0	39	-2.0	-91.38	369.87	5.84	-85.54
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000389627	0	38	-2.0	-107.86	351.39	2.89	-104.97
CCNC1=CC=C(C#N)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000389627	1	38	-2.0	-118.74	345.47	3.34	-115.40
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000389628	1	40	-2.0	-98.20	363.86	5.96	-92.24
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000389629	1	37	-2.0	-96.82	362.39	5.72	-91.10
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000389630	1	40	-2.0	-101.06	351.71	5.82	-95.24
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000389631	1	40	-2.0	-105.08	366.51	5.83	-99.25
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000389632	1	40	-2.0	-94.38	357.09	5.95	-88.43
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000389633	1	43	-2.0	-109.03	375.14	6.26	-102.77
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000389634	0	39	-2.0	-104.56	368.25	6.28	-98.28
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000389635	0	37	-2.0	-95.93	353.43	5.30	-90.63
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000389636	1	43	-2.0	-105.57	375.20	6.58	-98.99
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000389637	0	40	-2.0	-106.74	366.99	5.89	-100.85
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000389638	0	40	-2.0	-104.68	373.44	6.33	-98.35
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000389639	0	40	-2.0	-109.35	366.71	5.87	-103.48
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000389640	1	43	-2.0	-107.91	375.99	6.38	-101.53
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000389641	1	44	-2.0	-108.77	392.16	5.31	-103.46
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000389642	1	40	-2.0	-94.88	367.94	6.36	-88.52
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000389643	1	40	-2.0	-103.75	372.91	6.14	-97.61
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000389644	0	41	-2.0	-105.72	369.62	5.39	-100.33
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000389645	1	40	-2.0	-100.77	375.45	6.25	-94.52
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000389646	1	40	-2.0	-93.96	357.68	5.73	-88.23
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000389647	1	40	-2.0	-106.23	361.21	6.03	-100.20
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000389648	0	39	-2.0	-111.48	365.41	7.03	-104.45
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000389649	0	37	-2.0	-108.55	345.30	5.21	-103.34
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000389650	1	40	-2.0	-98.96	366.63	5.85	-93.11
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000389651	1	43	-2.0	-114.08	382.72	7.31	-106.77
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000389652	0	36	-2.0	-105.07	338.65	3.24	-101.83
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000389653	0	41	-2.0	-98.04	369.88	4.98	-93.06
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000389654	0	34	-2.0	-94.90	341.77	4.15	-90.75
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000389655	1	44	-2.0	-100.91	387.80	7.08	-93.83
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000389656	1	44	-2.0	-101.32	385.76	7.05	-94.27
CCNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000389657	0	40	-2.0	-101.43	363.80	5.17	-96.26
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(=O)N(C)C=C1	REAL300000389686	0	37	-2.0	-128.87	329.32	5.87	-123.00
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(=O)N(C)C=C1	REAL300000389715	0	35	-2.0	-123.59	313.28	5.08	-118.51
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(=O)N(C)C=C1	REAL300000389723	1	34	-2.0	-115.99	318.41	6.35	-109.64
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C(=O)N(C)C=C1	REAL300000389734	0	34	-2.0	-114.28	332.24	6.78	-107.50
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(=O)N(C)C=C1	REAL300000389747	1	31	-2.0	-113.85	306.80	5.23	-108.62
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1	REAL300000389751	0	38	-2.0	-99.69	362.42	3.50	-96.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CC=C1F	REAL300000389752	0	31	-2.0	-110.59	311.64	4.91	-105.68
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1	REAL300000389753	0	39	-2.0	-118.03	365.59	6.01	-112.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1	REAL300000389754	0	31	-2.0	-101.03	307.10	4.89	-96.14
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1	REAL300000389755	0	31	-2.0	-119.18	305.97	4.91	-114.27
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1	REAL300000389756	0	35	-2.0	-119.09	335.25	4.70	-114.39
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1	REAL300000389757	0	35	-2.0	-105.79	337.41	6.21	-99.58
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000389758	0	34	-2.0	-115.75	327.18	5.53	-110.22
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1	REAL300000389759	0	31	-2.0	-115.07	319.04	5.49	-109.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CC=C1Cl	REAL300000389760	0	31	-2.0	-114.87	318.47	5.31	-109.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1C	REAL300000389761	0	37	-2.0	-122.59	339.07	6.23	-116.36
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1	REAL300000389762	0	31	-2.0	-116.94	311.44	4.99	-111.95
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1	REAL300000389763	0	37	-2.0	-105.30	349.55	6.52	-98.78
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1	REAL300000389764	0	28	-2.0	-113.34	299.16	3.95	-109.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1	REAL300000389765	0	34	-2.0	-114.41	322.54	5.66	-108.75
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1	REAL300000389766	0	35	-2.0	-99.47	338.18	5.17	-94.30
CN1C=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000389767	0	32	-2.0	-117.46	312.62	4.27	-113.19
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1	REAL300000389768	0	35	-2.0	-114.81	331.32	3.69	-111.12
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1	REAL300000389769	0	31	-2.0	-109.18	315.09	4.61	-104.57
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000389770	0	37	-2.0	-122.06	337.42	6.23	-115.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CS1	REAL300000389771	0	28	-2.0	-114.79	297.61	3.95	-110.84
COC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000389772	0	39	-2.0	-119.36	364.30	4.72	-114.64
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000389773	0	35	-2.0	-119.12	334.39	4.95	-114.17
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1	REAL300000389774	0	41	-2.0	-124.84	361.20	7.54	-117.30
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1	REAL300000389775	0	40	-2.0	-116.65	361.01	6.88	-109.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1	REAL300000389776	0	37	-2.0	-118.90	336.11	6.64	-112.26
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1	REAL300000389777	0	38	-2.0	-119.60	357.54	5.45	-114.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300000389778	0	33	-3.0	-188.62	335.52	5.45	-183.17
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1	REAL300000389779	0	38	-2.0	-118.71	351.36	6.77	-111.94
CC1=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000389780	0	31	-2.0	-113.12	308.97	4.06	-109.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CC2=C1OCCO2	REAL300000389781	0	37	-2.0	-118.18	349.28	4.66	-113.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1	REAL300000389782	0	35	-2.0	-119.74	334.95	4.02	-115.72
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NN(CC(F)F)C=C3)C=C2C1	REAL300000389783	0	39	-2.0	-101.10	360.76	5.50	-95.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C(Cl)C=C1F	REAL300000389784	0	31	-2.0	-105.68	324.71	5.47	-100.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1Cl	REAL300000389785	0	35	-2.0	-102.82	353.06	5.74	-97.08
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CC=C1OCC(=O)[O-]	REAL300000389786	0	38	-2.0	-104.97	357.13	5.92	-99.05
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1	REAL300000389787	0	34	-2.0	-104.97	327.82	5.70	-99.27
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1F	REAL300000389788	0	35	-2.0	-98.90	344.40	5.23	-93.67
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000389789	0	38	-2.0	-125.56	355.10	5.89	-119.67
CC1=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000389790	0	31	-2.0	-110.81	315.74	4.78	-106.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C(Cl)=C1	REAL300000389791	0	31	-2.0	-98.53	320.16	5.43	-93.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1F	REAL300000389792	0	31	-2.0	-100.51	311.62	4.92	-95.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)S1	REAL300000389793	0	28	-2.0	-108.00	298.22	4.04	-103.96
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1	REAL300000389794	0	31	-2.0	-109.68	312.37	4.99	-104.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1F	REAL300000389795	0	34	-2.0	-118.44	331.73	5.63	-112.81
COC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000389796	0	35	-2.0	-103.15	347.42	5.50	-97.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C(F)=C1	REAL300000389797	0	31	-2.0	-100.50	312.57	4.96	-95.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1Cl	REAL300000389798	0	31	-2.0	-98.62	319.59	5.29	-93.33
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1	REAL300000389799	0	34	-2.0	-106.63	336.56	6.09	-100.54
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1	REAL300000389800	0	39	-2.0	-102.49	369.69	6.33	-96.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CC(F)=C1F	REAL300000389801	0	31	-2.0	-107.71	316.78	5.01	-102.70
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1	REAL300000389802	0	33	-2.0	-98.79	335.30	5.55	-93.24
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1	REAL300000389803	0	32	-2.0	-119.60	315.68	2.64	-116.96
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1	REAL300000389804	0	34	-2.0	-110.46	328.16	5.71	-104.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CC(Cl)=C1F	REAL300000389805	0	31	-2.0	-103.67	327.82	5.41	-98.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1	REAL300000389806	0	34	-2.0	-114.53	316.03	5.54	-108.99
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CC(C(=O)[O-])=C1F	REAL300000389807	0	34	-2.0	-117.78	330.80	5.58	-112.20
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1	REAL300000389808	0	34	-2.0	-106.37	321.38	5.68	-100.69
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CC(C(=O)[O-])=C1C	REAL300000389809	0	37	-2.0	-118.62	343.91	6.05	-112.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CC=C1[N+](=O)[O-]	REAL300000389810	0	33	-2.0	-111.30	333.66	5.98	-105.32
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1	REAL300000389811	0	31	-2.0	-108.24	317.70	5.04	-103.20
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C(C)=C1C(=O)[O-]	REAL300000389812	0	37	-2.0	-114.09	341.59	6.26	-107.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000389813	0	34	-2.0	-118.15	327.44	5.51	-112.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1Cl	REAL300000389814	0	34	-2.0	-110.92	338.88	6.01	-104.91
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1	REAL300000389815	0	34	-2.0	-118.66	332.13	5.58	-113.08
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000389816	0	37	-2.0	-121.25	339.90	6.10	-115.15
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1CC(=O)[O-]	REAL300000389817	0	38	-2.0	-115.82	357.57	5.02	-110.80
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1	REAL300000389818	0	34	-2.0	-107.88	332.23	6.11	-101.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1C(F)(F)F	REAL300000389819	0	34	-2.0	-102.57	336.07	5.73	-96.84
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000389820	0	34	-2.0	-110.89	338.34	5.84	-105.05
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000389821	0	35	-2.0	-118.76	333.98	5.14	-113.62
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C(C)=C1CC(=O)[O-]	REAL300000389822	0	43	-2.0	-114.15	372.26	7.76	-106.39
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000389823	0	34	-2.0	-112.42	335.83	5.88	-106.54
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000389824	0	40	-2.0	-110.20	356.55	6.98	-103.22
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000389825	0	35	-2.0	-114.67	347.44	5.50	-109.17
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000389826	0	34	-2.0	-101.13	323.11	5.43	-95.70
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C([N+](=O)[O-])=C1	REAL300000389827	0	36	-2.0	-106.21	350.38	7.07	-99.14
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1	REAL300000389828	0	34	-2.0	-117.79	325.92	5.72	-112.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1[N+](=O)[O-]	REAL300000389829	0	33	-2.0	-125.26	329.69	6.78	-118.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1F	REAL300000389830	0	31	-2.0	-117.83	310.75	4.91	-112.92
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000389831	0	34	-2.0	-110.68	327.13	5.49	-105.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=CC2=CC=CC=C21	REAL300000389832	0	37	-2.0	-127.49	347.00	7.05	-120.44
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C1	REAL300000389833	0	30	-2.0	-116.99	302.18	3.04	-113.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1	REAL300000389834	0	35	-2.0	-110.64	334.16	4.72	-105.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)=C(Cl)O1	REAL300000389835	0	28	-2.0	-101.24	307.22	3.85	-97.39
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN(CC(F)F)C=C3)C=C2)CC1	REAL300000389836	0	38	-2.0	-113.27	352.09	6.80	-106.47
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN(CC(F)F)C=C3)C=C2C1	REAL300000389837	0	38	-2.0	-116.20	351.40	6.80	-109.40
CCC1=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000389838	0	34	-2.0	-113.04	328.09	4.91	-108.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCC(F)(F)F)C=C1	REAL300000389839	0	35	-2.0	-99.01	342.72	5.80	-93.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCC(F)(F)F)=C1	REAL300000389840	0	35	-2.0	-111.50	342.74	5.80	-105.70
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCC(F)(F)F)=C1	REAL300000389841	0	32	-2.0	-105.89	335.93	4.82	-101.07
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCC(F)(F)F)C=C1C(=O)[O-]	REAL300000389842	0	36	-2.0	-109.83	349.39	5.15	-104.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCC(F)(F)F)=CS1	REAL300000389843	0	32	-2.0	-107.19	334.39	4.84	-102.35
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCC(F)(F)F)C=C(C(=O)[O-])O1	REAL300000389844	0	35	-2.0	-105.33	345.75	4.94	-100.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCC(F)(F)F)S1	REAL300000389845	0	32	-2.0	-100.85	335.00	4.93	-95.92
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OCC(F)(F)F)=C1	REAL300000389846	0	34	-2.0	-108.43	339.72	3.87	-104.56
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000389847	1	34	-2.0	-103.02	328.85	6.81	-96.21
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000389848	1	34	-2.0	-93.15	324.31	6.78	-86.37
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000389849	1	34	-2.0	-105.64	324.31	6.77	-98.87
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=CC=C1C	REAL300000389850	0	38	-2.0	-111.95	352.78	6.59	-105.36
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000389851	1	38	-2.0	-92.87	355.76	8.07	-84.80
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000389852	1	37	-2.0	-106.72	340.33	7.31	-99.41
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000389853	0	34	-2.0	-101.95	337.71	7.34	-94.61
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000389854	1	34	-2.0	-101.47	336.83	7.17	-94.30
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000389855	1	40	-2.0	-109.69	357.31	8.14	-101.55
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000389856	0	34	-2.0	-103.64	330.11	6.85	-96.79
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000389857	1	40	-2.0	-92.29	367.88	8.37	-83.92
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000389858	0	31	-2.0	-100.01	317.83	5.80	-94.21
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000389859	1	37	-2.0	-107.59	340.07	7.56	-100.03
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000389861	0	35	-2.0	-103.92	330.96	6.12	-97.80
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2C)=C1	REAL300000389863	0	34	-2.0	-96.15	333.75	6.46	-89.69
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000389865	0	31	-2.0	-101.34	315.96	5.81	-95.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=CC=C1C	REAL300000389867	1	40	-2.0	-106.05	354.17	8.48	-97.57
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000389868	1	41	-2.0	-111.79	368.89	8.69	-103.10
CC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000389869	0	34	-2.0	-100.35	327.65	5.93	-94.42
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2C)=C1	REAL300000389870	0	38	-2.0	-105.45	353.56	5.87	-99.58
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000389871	1	37	-2.0	-98.03	345.35	7.60	-90.43
CC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000389872	1	34	-2.0	-103.71	334.33	6.67	-97.04
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000389873	0	34	-2.0	-90.63	337.69	7.35	-83.28
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000389874	1	34	-2.0	-92.68	328.84	6.81	-85.87
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000389875	0	31	-2.0	-94.97	316.90	5.90	-89.07
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000389876	1	34	-2.0	-96.48	330.73	6.84	-89.64
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000389877	0	37	-2.0	-105.05	350.38	7.47	-97.58
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000389878	0	34	-2.0	-92.45	330.10	6.86	-85.59
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000389879	1	34	-2.0	-90.68	336.81	7.18	-83.50
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000389880	1	34	-2.0	-94.70	335.46	6.89	-87.81
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000389881	0	35	-2.0	-106.74	334.36	4.48	-102.26
CC1=CC=C(C(F)(F)F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000389881	1	35	-2.0	-108.05	331.75	5.34	-102.71
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000389882	1	37	-2.0	-97.31	346.49	7.56	-89.75
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000389883	1	37	-2.0	-101.04	334.68	7.43	-93.61
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000389884	1	37	-2.0	-104.42	349.47	7.44	-96.98
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000389886	1	40	-2.0	-108.66	357.78	7.86	-100.80
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000389887	0	34	-2.0	-95.09	336.37	6.92	-88.17
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000389889	0	37	-2.0	-105.91	349.96	7.47	-98.44
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2C)=C1	REAL300000389890	0	37	-2.0	-109.47	349.69	7.47	-102.00
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2C)C=C1C(=O)[O-]	REAL300000389891	1	40	-2.0	-107.52	358.63	7.96	-99.56
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2C)C=C1C(=O)[O-]	REAL300000389892	0	38	-2.0	-105.09	352.26	6.98	-98.11
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000389893	1	37	-2.0	-93.36	340.65	7.34	-86.02
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000389895	0	34	-2.0	-108.70	328.28	6.81	-101.89
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000389896	1	37	-2.0	-97.35	345.80	7.36	-89.99
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000389897	0	33	-2.0	-103.95	321.61	4.84	-99.11
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=CC=C1C	REAL300000389898	0	38	-2.0	-97.46	352.84	6.58	-90.88
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000389899	0	31	-2.0	-93.85	324.75	5.78	-88.07
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000389900	1	41	-2.0	-100.15	370.43	8.66	-91.49
CC1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000389901	1	41	-2.0	-101.59	368.73	8.66	-92.93
CCC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000389902	0	37	-2.0	-100.30	346.76	6.77	-93.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1N1CCOC1=O	REAL300000389913	1	40	-2.0	-117.91	360.20	6.66	-111.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1N1CCOC1=O	REAL300000389915	0	40	-2.0	-112.25	365.63	6.72	-105.53
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1N1CCOC1=O	REAL300000389916	0	37	-2.0	-111.66	353.95	5.63	-106.03
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1N1CCOC1=O	REAL300000389917	1	43	-2.0	-118.31	376.20	7.40	-110.91
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1N1CCOC1=O	REAL300000389918	1	41	-2.0	-115.89	366.84	6.01	-109.88
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(N3CCOC3=O)=C2)=C1	REAL300000389919	0	40	-2.0	-105.95	369.89	6.31	-99.64
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1N1CCOC1=O	REAL300000389920	0	37	-2.0	-110.64	351.85	5.70	-104.94
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(N3CCOC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000389921	0	40	-2.0	-108.63	363.15	5.79	-102.84
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(N3CCOC3=O)=C2)C=C(C(=O)[O-])S1	REAL300000389922	1	40	-2.0	-114.55	369.37	6.53	-108.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1N1CCOC1=O	REAL300000389923	1	40	-2.0	-103.49	364.72	6.71	-96.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1N1CCOC1=O	REAL300000389924	0	37	-2.0	-104.89	353.03	5.74	-99.15
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1N1CCOC1=O	REAL300000389925	1	40	-2.0	-105.79	366.59	6.73	-99.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1N1CCOC1=O	REAL300000389926	0	40	-2.0	-103.66	365.62	6.72	-96.94
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1N1CCOC1=O	REAL300000389927	0	41	-2.0	-116.74	370.49	4.33	-112.41
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1N1CCOC1=O	REAL300000389927	1	41	-2.0	-107.30	358.93	5.27	-102.03
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1N1CCOC1=O	REAL300000389928	1	43	-2.0	-106.95	382.32	7.44	-99.51
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1N1CCOC1=O	REAL300000389929	1	43	-2.0	-111.48	370.32	7.30	-104.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(N3CCOC3=O)=C2)C=C1C(=O)[O-]	REAL300000389931	1	44	-2.0	-117.23	388.21	6.88	-110.35
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1N1CCOC1=O	REAL300000389933	0	40	-2.0	-118.98	364.42	6.66	-112.32
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1N1CCOC1=O	REAL300000389934	0	39	-2.0	-115.05	356.42	4.79	-110.26
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(N3CCOC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000389935	0	43	-2.0	-108.27	382.28	6.64	-101.63
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)=NN1	REAL300000389936	1	40	-2.0	-117.93	367.24	6.52	-111.41
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=NN1	REAL300000389937	1	40	-2.0	-107.51	362.66	6.50	-101.01
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=NN1	REAL300000389938	1	40	-2.0	-120.91	362.68	6.48	-114.43
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)=NN1	REAL300000389939	1	44	-2.0	-106.95	394.14	7.77	-99.18
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2)=NN1	REAL300000389940	1	43	-2.0	-122.18	378.70	7.02	-115.16
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)=NN1	REAL300000389941	0	40	-2.0	-118.97	368.16	6.54	-112.43
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=NN1	REAL300000389942	0	37	-2.0	-114.83	355.87	5.50	-109.33
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2)=NN1	REAL300000389943	1	43	-2.0	-122.77	378.12	7.27	-115.50
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=NN1	REAL300000389944	0	41	-2.0	-119.02	369.33	5.84	-113.18
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=C2)=NN1	REAL300000389945	0	40	-2.0	-110.72	371.79	6.17	-104.55
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=NN1	REAL300000389946	0	37	-2.0	-116.31	354.33	5.51	-110.80
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)=NN1	REAL300000389947	0	40	-2.0	-114.69	365.69	5.62	-109.07
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=C2)=NN1	REAL300000389948	0	40	-2.0	-118.50	372.38	6.37	-112.13
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)=NN1	REAL300000389949	1	40	-2.0	-106.77	367.21	6.53	-100.24
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=NN1	REAL300000389950	0	37	-2.0	-109.39	354.94	5.61	-103.78
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)=NN1	REAL300000389951	1	40	-2.0	-111.37	369.10	6.55	-104.82
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)=NN1	REAL300000389952	0	40	-2.0	-106.95	368.14	6.55	-100.40
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)=NN1	REAL300000389953	0	41	-2.0	-121.97	372.38	4.21	-117.76
CC1=NC(C2=CC=C(C)C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)=NN1	REAL300000389953	1	41	-2.0	-119.40	369.82	5.04	-114.36
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)=NN1	REAL300000389954	1	43	-2.0	-111.89	384.85	7.27	-104.62
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)=NN1	REAL300000389955	1	43	-2.0	-116.18	372.72	7.12	-109.06
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=NNC(C)=N3)=CC=C2C)C=C1C(=O)[O-]	REAL300000389957	0	44	-2.0	-120.30	390.63	6.68	-113.62
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2)=NN1	REAL300000389958	1	43	-2.0	-107.83	378.69	7.02	-100.81
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)=NN1	REAL300000389959	0	40	-2.0	-124.15	366.32	6.52	-117.63
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=NN1	REAL300000389960	0	39	-2.0	-119.18	359.67	4.54	-114.64
CC1=NC(C2=CC=C(C)C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)=NN1	REAL300000389961	0	37	-2.0	-108.20	362.78	5.45	-102.75
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=NNC(C)=N3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000389962	0	43	-2.0	-114.76	384.81	6.48	-108.28
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1	REAL300000389963	1	37	-2.0	-85.10	341.87	0.86	-84.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=CC=C1F	REAL300000389964	1	30	-2.0	-100.80	289.94	2.31	-98.49
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNN=C2C=C1	REAL300000389965	0	38	-2.0	-101.28	345.03	3.37	-97.91
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NN=NC2=C1	REAL300000389965	1	38	-2.0	-101.77	345.46	3.36	-98.41
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000389966	0	30	-2.0	-97.65	301.83	3.00	-94.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000389968	1	30	-2.0	-102.93	285.41	2.28	-100.65
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNN=C2C=C1	REAL300000389969	0	34	-2.0	-107.52	313.55	2.08	-105.44
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NN=NC2=C1	REAL300000389969	1	34	-2.0	-107.80	313.98	2.08	-105.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=CC=C1Br	REAL300000389970	1	30	-2.0	-98.49	301.65	2.77	-95.72
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1	REAL300000389971	1	34	-2.0	-90.99	316.86	3.58	-87.41
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000389973	0	30	-2.0	-98.28	298.48	2.85	-95.43
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C1	REAL300000389973	1	30	-2.0	-98.68	298.91	2.85	-95.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=CC=C1Cl	REAL300000389974	1	30	-2.0	-99.03	297.92	2.67	-96.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C(Cl)C=C1Cl	REAL300000389975	0	30	-2.0	-94.15	310.98	3.22	-90.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C(Cl)C=C1Cl	REAL300000389975	1	30	-2.0	-94.62	311.40	3.23	-91.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1C	REAL300000389976	1	36	-2.0	-105.07	317.80	3.59	-101.48
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000389977	0	30	-2.0	-99.63	290.89	2.34	-97.29
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C1	REAL300000389977	1	30	-2.0	-100.05	291.32	2.34	-97.71
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1	REAL300000389978	1	36	-2.0	-89.88	328.97	3.86	-86.02
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000389979	0	27	-2.0	-97.57	278.59	1.29	-96.28
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C1	REAL300000389979	1	27	-2.0	-98.39	279.02	1.30	-97.09
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNN=C2C=C1	REAL300000389980	1	33	-2.0	-103.27	300.84	3.05	-100.22
CN1C=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1C(=O)[O-]	REAL300000389982	0	31	-2.0	-101.54	292.06	1.63	-99.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000389984	0	30	-2.0	-93.92	294.53	1.95	-91.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C1	REAL300000389984	1	30	-2.0	-94.77	294.95	1.96	-92.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=CS1	REAL300000389986	0	27	-2.0	-98.99	277.06	1.31	-97.68
COC1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=CC(C(=O)[O-])=C1OC	REAL300000389987	1	38	-2.0	-103.33	343.71	2.09	-101.24
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000389989	1	40	-2.0	-106.78	340.65	4.92	-101.86
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNN=C2C=C1	REAL300000389990	1	39	-2.0	-105.20	339.31	4.30	-100.90
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNN=C2C=C1	REAL300000389991	1	36	-2.0	-101.54	315.55	4.00	-97.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNN=C2C=C1	REAL300000389992	0	37	-2.0	-108.44	335.84	2.83	-105.61
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NN=NC2=C1	REAL300000389992	1	37	-2.0	-106.94	336.27	2.85	-104.09
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=NNN=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000389993	0	33	-2.0	-110.22	316.37	2.83	-107.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000389993	1	32	-3.0	-177.48	313.81	2.84	-174.64
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000389994	1	37	-2.0	-107.15	329.66	4.18	-102.97
CC1=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C(C(=O)[O-])O1	REAL300000389995	0	30	-2.0	-97.08	288.42	1.42	-95.66
CC1=C(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)C=C(C(=O)[O-])O1	REAL300000389995	1	30	-2.0	-97.72	288.85	1.42	-96.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=CC2=C1OCCO2	REAL300000389996	1	36	-2.0	-107.72	327.57	2.05	-105.67
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000389997	0	34	-2.0	-104.31	314.39	1.37	-102.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C1	REAL300000389997	1	34	-2.0	-105.09	314.82	1.37	-103.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=CC(Cl)=C1Cl	REAL300000389999	1	30	-2.0	-92.95	313.08	3.13	-89.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C(Cl)C=C1F	REAL300000390000	0	30	-2.0	-95.38	303.00	2.86	-92.52
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1Cl	REAL300000390001	1	34	-2.0	-88.39	332.51	3.10	-85.29
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1F	REAL300000390003	1	40	-2.0	-89.16	365.15	3.52	-85.64
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNN=C2C=C1	REAL300000390004	1	33	-2.0	-94.41	306.13	3.09	-91.32
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1F	REAL300000390006	1	34	-2.0	-89.43	322.70	2.62	-86.81
CC1=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C(C(=O)[O-])S1	REAL300000390008	0	30	-2.0	-100.08	294.01	2.19	-97.89
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000390009	0	30	-2.0	-92.30	313.63	3.30	-89.00
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C1	REAL300000390009	1	30	-2.0	-92.85	314.06	3.30	-89.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C(Cl)=C1	REAL300000390010	0	30	-2.0	-89.09	298.46	2.85	-86.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C(Br)=C1	REAL300000390011	0	30	-2.0	-88.70	301.81	2.99	-85.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1F	REAL300000390012	1	30	-2.0	-91.09	289.93	2.32	-88.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)S1	REAL300000390013	0	27	-2.0	-92.79	277.68	1.40	-91.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)S1	REAL300000390013	1	27	-2.0	-93.62	278.10	1.41	-92.21
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000390014	1	30	-2.0	-94.17	291.81	2.35	-91.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1F	REAL300000390015	0	33	-2.0	-100.90	311.17	2.98	-97.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C1F	REAL300000390015	1	33	-2.0	-101.33	311.60	2.98	-98.35
COC1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000390016	0	34	-2.0	-93.80	325.72	2.90	-90.90
COC1=CC(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000390016	1	34	-2.0	-94.71	326.14	2.90	-91.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C(F)=C1	REAL300000390017	0	30	-2.0	-90.66	290.87	2.35	-88.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)C(F)=C1	REAL300000390017	1	30	-2.0	-91.54	291.30	2.35	-89.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1Cl	REAL300000390018	1	30	-2.0	-88.99	297.91	2.68	-86.31
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNN=C2C=C1	REAL300000390019	1	33	-2.0	-95.91	314.87	3.48	-92.43
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1	REAL300000390020	1	38	-2.0	-87.82	349.14	3.69	-84.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1Br	REAL300000390021	1	30	-2.0	-88.59	301.64	2.77	-85.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=CC(F)=C1F	REAL300000390022	1	30	-2.0	-92.74	296.23	2.37	-90.37
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000390023	0	32	-2.0	-88.58	313.60	2.94	-85.64
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000390024	0	31	-2.0	-101.99	295.12	-0.01	-102.00
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1	REAL300000390025	1	33	-2.0	-94.06	307.58	3.06	-91.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=CC(Cl)=C1F	REAL300000390026	1	30	-2.0	-94.00	306.11	2.81	-91.19
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=NNN=C2C=C1	REAL300000390027	1	33	-2.0	-99.82	295.48	2.92	-96.90
CC1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=CC(C(=O)[O-])=C1F	REAL300000390028	1	33	-2.0	-102.07	310.24	2.93	-99.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=CC=C1[N+](=O)[O-]	REAL300000390031	0	32	-2.0	-102.23	311.96	3.37	-98.86
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000390032	0	30	-2.0	-91.69	297.17	2.41	-89.28
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C1	REAL300000390032	1	30	-2.0	-92.32	297.59	2.41	-89.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1C(=O)[O-]	REAL300000390034	0	33	-2.0	-101.80	310.72	2.97	-98.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)C=C1C(=O)[O-]	REAL300000390034	1	33	-2.0	-102.23	311.15	2.98	-99.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1Cl	REAL300000390035	0	33	-2.0	-99.87	317.17	3.43	-96.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C1Cl	REAL300000390035	1	33	-2.0	-100.29	317.60	3.42	-96.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000390036	0	33	-2.0	-108.15	310.42	2.97	-105.18
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C1	REAL300000390036	1	33	-2.0	-109.23	310.87	2.97	-106.26
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1C(=O)[O-]	REAL300000390037	1	36	-2.0	-104.59	319.65	3.47	-101.12
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=NNN=C2C=C1	REAL300000390039	1	33	-2.0	-93.19	311.67	3.48	-89.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1C(F)(F)F	REAL300000390040	1	33	-2.0	-88.15	315.53	3.08	-85.07
CC1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000390041	1	33	-2.0	-100.64	316.63	3.24	-97.40
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000390042	1	30	-2.0	-95.91	306.70	2.88	-93.03
CCN1C=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1C(=O)[O-]	REAL300000390043	0	34	-2.0	-102.82	313.43	2.49	-100.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C(F)C(Cl)=C1F	REAL300000390045	0	30	-2.0	-90.73	310.99	2.84	-87.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C(F)C(Cl)=C1F	REAL300000390045	1	30	-2.0	-91.31	311.42	2.84	-88.47
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1C(=O)[O-]	REAL300000390046	1	33	-2.0	-97.59	319.15	3.34	-94.25
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C(C(=O)[O-])S1	REAL300000390047	0	39	-2.0	-99.93	334.85	4.41	-95.52
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1C(=O)[O-]	REAL300000390048	0	34	-2.0	-103.81	325.73	2.91	-100.90
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C([N+](=O)[O-])=C1	REAL300000390050	0	35	-2.0	-96.59	328.68	4.46	-92.13
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)C([N+](=O)[O-])=C1	REAL300000390050	1	35	-2.0	-97.66	329.10	4.47	-93.19
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1[N+](=O)[O-]	REAL300000390052	0	32	-2.0	-110.82	309.13	4.13	-106.69
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C1[N+](=O)[O-]	REAL300000390052	1	32	-2.0	-111.75	309.56	4.14	-107.61
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1F	REAL300000390053	0	30	-2.0	-107.49	289.07	2.30	-105.19
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C1F	REAL300000390053	1	30	-2.0	-108.54	289.50	2.31	-106.23
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C1C(=O)[O-]	REAL300000390054	1	33	-2.0	-95.79	310.35	2.96	-92.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=CC2=CC=CC=C21	REAL300000390055	1	36	-2.0	-110.87	326.45	4.40	-106.47
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C1	REAL300000390056	0	29	-2.0	-100.52	281.63	0.40	-100.12
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C1	REAL300000390056	1	29	-2.0	-99.70	282.83	0.33	-99.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=NNN=C2C=C1	REAL300000390057	0	34	-2.0	-95.22	313.61	2.08	-93.14
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NN=NC2=C1	REAL300000390057	1	34	-2.0	-96.03	314.04	2.07	-93.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)=C(Cl)O1	REAL300000390058	0	27	-2.0	-91.26	285.56	1.26	-90.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)=C(Cl)O1	REAL300000390058	1	27	-2.0	-92.00	285.99	1.26	-90.74
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC4=NNN=C4C=C3)C=C2)CC1	REAL300000390059	1	37	-2.0	-97.34	331.53	4.16	-93.18
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC4=NNN=C4C=C3)C=C2C1	REAL300000390060	1	37	-2.0	-101.36	330.85	4.15	-97.21
CCC1=C(S(=O)(=O)[N-]C2=CC3=NNN=C3C=C2)C=C(C(=O)[O-])O1	REAL300000390061	0	33	-2.0	-96.85	307.54	2.27	-94.58
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NN=NC3=C2)C=C(C(=O)[O-])O1	REAL300000390061	1	33	-2.0	-97.38	307.97	2.27	-95.11
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000390062	1	40	-2.0	-100.50	368.33	3.64	-96.86
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000390063	1	40	-2.0	-89.88	362.93	3.63	-86.25
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000390064	0	40	-2.0	-102.43	362.95	3.61	-98.82
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000390065	1	43	-2.0	-101.24	378.40	4.16	-97.08
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000390066	0	40	-2.0	-99.68	368.45	3.68	-96.00
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000390067	0	37	-2.0	-96.76	356.14	2.63	-94.13
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000390068	1	43	-2.0	-102.31	379.22	4.39	-97.92
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000390069	0	41	-2.0	-100.60	369.60	2.97	-97.63
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000390070	0	37	-2.0	-96.76	354.61	2.65	-94.11
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000390071	0	40	-2.0	-95.64	366.80	2.76	-92.88
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000390072	0	40	-2.0	-89.53	367.49	3.65	-85.88
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000390073	0	37	-2.0	-90.93	355.20	2.75	-88.18
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000390074	0	40	-2.0	-92.04	369.37	3.69	-88.35
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000390075	0	40	-2.0	-88.71	368.41	3.69	-85.02
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000390076	0	41	-2.0	-101.69	373.50	1.33	-100.36
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000390077	0	43	-2.0	-93.66	385.13	4.40	-89.26
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000390078	1	43	-2.0	-97.31	372.44	4.26	-93.05
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000390079	1	43	-2.0	-90.11	379.20	4.39	-85.72
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000390080	0	44	-2.0	-101.79	390.97	3.84	-97.95
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000390081	1	43	-2.0	-91.39	383.04	4.22	-87.17
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000390082	0	40	-2.0	-103.07	366.59	3.64	-99.43
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000390083	0	39	-2.0	-98.21	359.16	1.73	-96.48
CCNC(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000390084	0	43	-2.0	-95.40	385.90	3.60	-91.80
COC(=O)CN(C1=CC=CC(F)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000390113	0	38	-2.0	-104.61	343.36	6.06	-98.55
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1	REAL300000390132	0	39	-2.0	-117.46	363.38	5.46	-112.00
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1	REAL300000390133	0	39	-2.0	-106.90	358.83	5.44	-101.46
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1	REAL300000390134	0	39	-2.0	-120.18	358.85	5.43	-114.75
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1	REAL300000390135	0	43	-2.0	-106.57	390.29	6.72	-99.85
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1	REAL300000390136	0	42	-2.0	-121.70	374.87	5.96	-115.74
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1	REAL300000390137	0	39	-2.0	-117.57	364.32	5.49	-112.08
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1	REAL300000390138	0	36	-2.0	-113.82	352.03	4.45	-109.37
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1	REAL300000390139	0	42	-2.0	-121.13	374.27	6.21	-114.92
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1	REAL300000390140	0	40	-2.0	-118.37	365.48	4.77	-113.60
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1	REAL300000390141	0	39	-2.0	-109.93	367.94	5.11	-104.82
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1	REAL300000390142	0	36	-2.0	-115.69	350.50	4.45	-111.24
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1	REAL300000390143	0	39	-2.0	-113.25	361.84	4.57	-108.68
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1	REAL300000390144	0	39	-2.0	-117.19	367.47	5.32	-111.87
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1	REAL300000390145	0	39	-2.0	-106.13	363.36	5.47	-100.66
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1	REAL300000390146	0	36	-2.0	-108.70	351.10	4.56	-104.14
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1	REAL300000390147	0	39	-2.0	-110.76	365.25	5.50	-105.26
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1	REAL300000390148	0	39	-2.0	-106.40	364.30	5.50	-100.90
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1	REAL300000390149	0	40	-2.0	-119.92	368.56	3.15	-116.77
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1	REAL300000390150	0	42	-2.0	-110.89	381.01	6.21	-104.68
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1	REAL300000390151	0	42	-2.0	-116.28	368.92	6.07	-110.21
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1	REAL300000390152	0	42	-2.0	-107.07	374.25	6.20	-100.87
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3OC)=C2)C=C1C(=O)[O-]	REAL300000390153	0	43	-2.0	-119.73	386.88	5.65	-114.08
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1	REAL300000390154	0	42	-2.0	-107.09	374.85	5.97	-101.12
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1	REAL300000390155	0	39	-2.0	-124.42	362.50	5.46	-118.96
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1	REAL300000390156	0	38	-2.0	-117.78	355.05	3.55	-114.23
COC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1	REAL300000390157	0	36	-2.0	-106.98	358.98	4.40	-102.58
CCC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3OC)=C2)C=C(C(=O)[O-])O1	REAL300000390158	0	42	-2.0	-113.12	380.97	5.43	-107.69
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1	REAL300000390159	0	38	-2.0	-113.73	351.33	6.68	-107.05
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000390159	1	38	-2.0	-103.48	348.15	6.84	-96.64
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1	REAL300000390160	0	38	-2.0	-103.49	346.79	6.66	-96.83
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000390160	1	38	-2.0	-93.71	343.62	6.82	-86.89
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1	REAL300000390161	0	38	-2.0	-116.62	346.76	6.65	-109.97
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000390161	1	38	-2.0	-105.82	343.62	6.81	-99.01
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2C)=C1	REAL300000390162	0	42	-2.0	-122.47	374.95	6.46	-116.01
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2C)=NN1	REAL300000390162	1	42	-2.0	-110.74	371.77	6.62	-104.12
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1	REAL300000390163	0	42	-2.0	-103.01	378.26	7.95	-95.06
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000390163	1	42	-2.0	-93.50	375.06	8.10	-85.40
CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3C)=C2)C=C1C(=O)[O-]	REAL300000390164	0	41	-2.0	-117.88	362.82	7.19	-110.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3C)=NN2)C=C1C(=O)[O-]	REAL300000390164	1	41	-2.0	-106.78	359.64	7.34	-99.44
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NN1	REAL300000390165	0	38	-2.0	-112.21	359.88	7.22	-104.99
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000390165	1	38	-2.0	-101.32	356.70	7.37	-93.95
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN1	REAL300000390166	0	38	-2.0	-112.18	359.31	7.04	-105.14
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000390166	1	38	-2.0	-101.74	356.13	7.20	-94.54
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=NN1	REAL300000390167	0	44	-2.0	-119.39	379.91	7.99	-111.40
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000390167	1	44	-2.0	-108.01	376.73	8.15	-99.86
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1	REAL300000390168	0	38	-2.0	-113.90	352.29	6.71	-107.19
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1	REAL300000390169	0	44	-2.0	-102.44	390.38	8.24	-94.20
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000390169	1	44	-2.0	-92.64	387.21	8.40	-84.24
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1	REAL300000390170	0	35	-2.0	-110.46	339.99	5.68	-104.78
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000390170	1	35	-2.0	-100.04	336.81	5.83	-94.21
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1	REAL300000390171	0	41	-2.0	-117.61	362.23	7.43	-110.18
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000390171	1	41	-2.0	-106.35	359.05	7.59	-98.76
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NN1	REAL300000390172	0	42	-2.0	-101.73	377.88	6.94	-94.79
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000390172	1	42	-2.0	-92.24	374.71	7.10	-85.14
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1	REAL300000390173	0	39	-2.0	-114.89	353.42	5.99	-108.90
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000390173	1	39	-2.0	-104.17	350.28	6.16	-98.01
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NN1	REAL300000390174	0	42	-2.0	-117.89	371.01	5.47	-112.42
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000390174	1	42	-2.0	-106.74	367.82	5.63	-101.11
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3C)=C2)=C1	REAL300000390175	0	38	-2.0	-106.39	355.93	6.34	-100.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3C)=NN2)=C1	REAL300000390175	1	38	-2.0	-96.19	352.74	6.50	-89.69
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=NN1	REAL300000390176	0	44	-2.0	-118.88	378.25	7.97	-110.91
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=C1	REAL300000390176	1	44	-2.0	-107.53	375.07	8.13	-99.40
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1	REAL300000390177	0	35	-2.0	-112.04	338.45	5.68	-106.36
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000390177	1	35	-2.0	-101.62	335.27	5.84	-95.78
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3C)=C2)C=C1C(=O)[O-]	REAL300000390178	0	42	-2.0	-122.52	374.08	6.72	-115.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3C)=NN2)C=C1C(=O)[O-]	REAL300000390178	1	42	-2.0	-111.76	370.92	6.88	-104.88
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=NN1	REAL300000390179	0	47	-2.0	-119.90	400.71	8.66	-111.24
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000390179	1	47	-2.0	-108.41	397.52	8.82	-99.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2C)=C1	REAL300000390180	0	44	-2.0	-115.77	376.95	8.38	-107.39
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2C)=NN1	REAL300000390180	1	44	-2.0	-104.82	373.78	8.55	-96.27
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=NN1	REAL300000390181	0	45	-2.0	-121.86	391.05	8.54	-113.32
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000390181	1	45	-2.0	-110.20	387.86	8.71	-101.49
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3C)=C2)C=C(C(=O)[O-])O1	REAL300000390182	0	38	-2.0	-109.82	349.82	5.80	-104.02
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3C)=NN2)C=C(C(=O)[O-])O1	REAL300000390182	1	38	-2.0	-99.46	346.63	5.96	-93.50
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3C)=C2)=C1	REAL300000390183	0	42	-2.0	-117.56	375.79	5.74	-111.82
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3C)=NN2)=C1	REAL300000390183	1	42	-2.0	-107.44	372.54	5.91	-101.53
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NN1	REAL300000390184	0	41	-2.0	-107.69	367.51	7.47	-100.22
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000390184	1	41	-2.0	-97.11	364.33	7.64	-89.47
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3C)=C2)C=C(C(=O)[O-])S1	REAL300000390185	0	38	-2.0	-113.65	355.44	6.54	-107.11
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3C)=NN2)C=C(C(=O)[O-])S1	REAL300000390185	1	38	-2.0	-102.69	353.32	6.69	-96.00
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NN1	REAL300000390186	0	38	-2.0	-101.07	359.85	7.21	-93.86
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000390186	1	38	-2.0	-91.51	356.67	7.37	-84.14
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1	REAL300000390187	0	38	-2.0	-102.67	351.31	6.69	-95.98
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000390187	1	38	-2.0	-93.27	348.14	6.85	-86.42
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1	REAL300000390188	0	35	-2.0	-105.14	339.06	5.78	-99.36
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000390188	1	35	-2.0	-95.06	335.88	5.94	-89.12
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1	REAL300000390189	0	38	-2.0	-107.04	353.17	6.71	-100.33
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000390189	1	38	-2.0	-96.73	350.02	6.88	-89.85
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=NN1	REAL300000390190	0	41	-2.0	-115.33	372.56	7.36	-107.97
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1	REAL300000390191	0	38	-2.0	-102.91	352.27	6.72	-96.19
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1	REAL300000390192	0	38	-2.0	-100.90	359.29	7.05	-93.85
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000390192	1	38	-2.0	-91.32	356.11	7.21	-84.11
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NN1	REAL300000390193	0	38	-2.0	-104.98	357.58	6.74	-98.24
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000390193	1	38	-2.0	-95.19	354.44	6.90	-88.29
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1	REAL300000390194	0	39	-2.0	-116.25	356.52	4.38	-111.87
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000390194	1	39	-2.0	-105.00	353.34	4.53	-100.47
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1	REAL300000390195	0	41	-2.0	-107.24	368.98	7.44	-99.80
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000390195	1	41	-2.0	-96.81	365.81	7.60	-89.21
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1	REAL300000390196	0	41	-2.0	-112.69	356.83	7.30	-105.39
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000390196	1	41	-2.0	-102.47	353.66	7.45	-95.02
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=NN1	REAL300000390197	0	41	-2.0	-115.13	371.59	7.30	-107.83
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000390197	1	41	-2.0	-104.71	368.46	7.46	-97.25
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1	REAL300000390198	0	41	-2.0	-103.65	362.21	7.42	-96.23
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000390198	1	41	-2.0	-93.88	359.04	7.59	-86.29
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=NN1	REAL300000390199	0	44	-2.0	-121.20	383.56	7.82	-113.38
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000390199	1	44	-2.0	-108.52	377.09	7.89	-100.63
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NN1	REAL300000390200	0	38	-2.0	-105.19	358.54	6.78	-98.41
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000390200	1	38	-2.0	-94.42	355.36	6.94	-87.48
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1	REAL300000390201	0	44	-2.0	-116.87	381.29	8.04	-108.83
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000390201	1	44	-2.0	-106.61	378.10	8.20	-98.41
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=NN1	REAL300000390202	0	41	-2.0	-115.16	368.29	7.25	-107.91
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3C)=C2)=C1	REAL300000390203	0	41	-2.0	-121.51	371.81	7.34	-114.17
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3C)=C2)C=C1C(=O)[O-]	REAL300000390204	0	44	-2.0	-118.60	381.04	7.84	-110.76
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3C)=NN2)C=C1C(=O)[O-]	REAL300000390204	1	44	-2.0	-107.51	377.95	8.00	-99.51
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3C)=C2)C=C1C(=O)[O-]	REAL300000390205	0	42	-2.0	-116.25	374.82	6.87	-109.38
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3C)=NN2)C=C1C(=O)[O-]	REAL300000390205	1	42	-2.0	-105.46	371.58	7.02	-98.44
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1	REAL300000390206	0	41	-2.0	-105.19	366.85	7.30	-97.89
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000390206	1	41	-2.0	-93.65	359.63	7.36	-86.29
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NN1	REAL300000390207	0	41	-2.0	-114.59	366.76	7.47	-107.12
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000390207	1	41	-2.0	-103.98	363.57	7.63	-96.35
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1	REAL300000390208	0	38	-2.0	-120.69	350.42	6.68	-114.01
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NN1	REAL300000390209	0	41	-2.0	-107.93	367.93	7.22	-100.71
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000390209	1	41	-2.0	-97.43	364.78	7.38	-90.05
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1	REAL300000390210	0	37	-2.0	-114.23	343.02	4.78	-109.45
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000390210	1	37	-2.0	-103.25	339.83	4.93	-98.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2C)=C1	REAL300000390211	0	42	-2.0	-108.03	375.00	6.46	-101.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2C)=NN1	REAL300000390211	1	42	-2.0	-97.72	371.83	6.62	-91.10
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1	REAL300000390212	0	35	-2.0	-103.58	346.91	5.62	-97.96
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000390212	1	35	-2.0	-93.56	343.72	5.77	-87.79
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=NN1	REAL300000390213	0	45	-2.0	-110.23	392.94	8.54	-101.69
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000390213	1	45	-2.0	-99.95	389.75	8.70	-91.25
CC1=CC=CC=C1C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=NN1	REAL300000390214	0	45	-2.0	-114.23	392.24	8.54	-105.69
CC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000390214	1	45	-2.0	-103.16	387.70	8.68	-94.48
CCC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3C)=C2)C=C(C(=O)[O-])O1	REAL300000390215	0	41	-2.0	-109.70	368.94	6.66	-103.04
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3C)=NN2)C=C(C(=O)[O-])O1	REAL300000390215	1	41	-2.0	-99.31	365.74	6.80	-92.51
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)N(C)C	REAL300000390216	1	41	-2.0	-105.03	363.39	5.53	-99.50
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(=O)N(C)C	REAL300000390218	1	41	-2.0	-105.25	358.85	5.50	-99.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)N(C)C)=C1	REAL300000390219	0	45	-2.0	-112.58	386.91	5.33	-107.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C(=O)N(C)C	REAL300000390220	1	45	-2.0	-94.19	390.30	6.79	-87.40
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C(=O)N(C)C	REAL300000390222	0	41	-2.0	-101.63	369.95	6.11	-95.52
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)N(C)C	REAL300000390223	1	41	-2.0	-103.63	370.63	5.89	-97.74
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C(=O)N(C)C	REAL300000390224	1	47	-2.0	-110.55	391.44	6.87	-103.68
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)N(C)C	REAL300000390225	0	41	-2.0	-103.18	362.36	5.60	-97.58
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C(=O)N(C)C	REAL300000390226	1	47	-2.0	-93.01	400.94	7.09	-85.92
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(=O)N(C)C	REAL300000390227	0	38	-2.0	-100.50	350.81	4.53	-95.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C(=O)N(C)C	REAL300000390228	1	44	-2.0	-108.39	374.19	6.31	-102.08
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(=O)N(C)C	REAL300000390230	1	42	-2.0	-104.40	364.77	4.85	-99.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)N(C)C)=C2)=C1	REAL300000390232	0	41	-2.0	-97.69	366.38	5.22	-92.47
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(=O)N(C)C	REAL300000390234	0	38	-2.0	-103.35	349.78	4.53	-98.82
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)N(C)C)=C1	REAL300000390236	1	47	-2.0	-105.14	387.43	7.25	-97.89
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000390237	0	41	-2.0	-101.18	360.03	4.69	-96.49
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)N(C)C)=C2)=C1	REAL300000390238	0	45	-2.0	-106.56	386.83	4.61	-101.95
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C(=O)N(C)C	REAL300000390239	1	44	-2.0	-97.87	378.33	6.34	-91.53
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)N(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000390240	1	41	-2.0	-105.17	366.43	5.41	-99.76
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C(=O)N(C)C	REAL300000390241	0	41	-2.0	-92.49	371.85	6.06	-86.43
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)N(C)C	REAL300000390242	1	41	-2.0	-93.77	362.76	5.52	-88.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(=O)N(C)C	REAL300000390243	0	38	-2.0	-96.49	349.52	4.66	-91.83
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)N(C)C	REAL300000390244	1	41	-2.0	-96.47	365.26	5.57	-90.90
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C(=O)N(C)C	REAL300000390245	0	44	-2.0	-104.92	383.39	6.22	-98.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)N(C)C	REAL300000390246	0	41	-2.0	-93.34	362.90	5.61	-87.73
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)N(C)C	REAL300000390247	1	41	-2.0	-91.86	370.74	5.88	-85.98
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C(=O)N(C)C	REAL300000390248	1	41	-2.0	-96.39	368.51	5.58	-90.81
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C(=O)N(C)C	REAL300000390249	0	42	-2.0	-105.84	366.96	3.25	-102.59
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C(=O)N(C)C	REAL300000390249	1	42	-2.0	-107.88	355.62	4.13	-103.75
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(=O)N(C)C	REAL300000390250	1	44	-2.0	-97.64	379.86	6.27	-91.37
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)N(C)C	REAL300000390251	1	44	-2.0	-103.39	366.10	6.19	-97.20
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C(=O)N(C)C	REAL300000390255	0	41	-2.0	-95.53	368.77	5.67	-89.86
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C=C1C(=O)N(C)C	REAL300000390257	0	44	-2.0	-105.46	382.02	6.23	-99.23
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)N(C)C)=C2)=C1	REAL300000390258	0	44	-2.0	-112.79	382.65	6.21	-106.58
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000390260	1	45	-2.0	-105.57	386.14	5.72	-99.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)N(C)C	REAL300000390263	0	41	-2.0	-111.82	360.92	5.57	-106.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C(=O)N(C)C	REAL300000390264	1	44	-2.0	-100.30	383.41	6.17	-94.13
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(=O)N(C)C	REAL300000390265	0	40	-2.0	-103.96	354.60	3.57	-100.39
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)N(C)C)=C1	REAL300000390266	0	45	-2.0	-98.80	385.82	5.31	-93.49
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C(=O)N(C)C	REAL300000390267	0	38	-2.0	-94.45	357.40	4.51	-89.94
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000390268	0	44	-2.0	-101.31	379.15	5.54	-95.77
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC3(CCCC3)C3=CC=CC=C32)=C1	REAL300000390304	0	43	-2.0	-111.74	353.07	7.85	-103.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(CC3=CC=CC=C3)=CC=C2O)C=C1	REAL300000390326	0	42	-2.0	-98.32	372.16	8.84	-89.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(CC3=CC=CC=C3)=CC=C2O)=C1	REAL300000390327	0	42	-2.0	-109.76	372.16	8.82	-100.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC(CC3=CC=CC=C3)=CC=C2O)C=C1C(=O)[O-]	REAL300000390328	0	45	-2.0	-112.90	388.18	9.35	-103.55
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(CC3=CC=CC=C3)=CC=C2O)=C1	REAL300000390329	0	39	-2.0	-104.68	365.35	7.89	-96.79
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300000390330	0	45	-2.0	-110.45	387.59	9.57	-100.88
CN1C=C(S(=O)(=O)[N-]C2=CC(CC3=CC=CC=C3)=CC=C2O)C=C1C(=O)[O-]	REAL300000390331	0	43	-2.0	-108.72	378.81	8.21	-100.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(CC3=CC=CC=C3)=CC=C2O)=CS1	REAL300000390332	0	39	-2.0	-107.62	363.81	7.88	-99.74
CC1=C(S(=O)(=O)[N-]C2=CC(CC3=CC=CC=C3)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000390333	0	42	-2.0	-104.12	375.17	7.97	-96.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(CC3=CC=CC=C3)=CC=C2O)S1	REAL300000390334	0	39	-2.0	-100.30	364.43	7.99	-92.31
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(CC3=CC=CC=C3)=CC=C2O)=C1	REAL300000390335	0	43	-2.0	-109.32	381.87	6.43	-102.89
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(CC3=CC=CC=C3)=CC=C2O)C=C1	REAL300000390336	0	45	-2.0	-101.60	394.35	9.61	-91.99
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300000390337	0	45	-2.0	-108.20	382.20	9.43	-98.77
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300000390338	0	45	-2.0	-98.36	387.58	9.56	-88.80
CC1=CC(S(=O)(=O)[N-]C2=CC(CC3=CC=CC=C3)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000390339	0	45	-2.0	-98.49	388.17	9.37	-89.12
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(CC3=CC=CC=C3)=CC=C2O)=C1	REAL300000390340	0	41	-2.0	-109.55	368.37	6.98	-102.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=CC=C1F	REAL300000390341	1	39	-2.0	-100.91	354.39	6.69	-94.22
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=C1	REAL300000390343	1	39	-2.0	-102.99	349.85	6.66	-96.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCC2)C(F)=C1	REAL300000390344	0	43	-2.0	-113.92	377.99	6.45	-107.47
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C=C1	REAL300000390345	1	43	-2.0	-90.90	381.31	7.96	-82.94
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=C1	REAL300000390347	0	39	-2.0	-104.04	362.92	7.24	-96.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=CC=C1Cl	REAL300000390348	1	39	-2.0	-99.15	362.35	7.06	-92.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=C1C	REAL300000390349	1	45	-2.0	-111.80	382.53	8.00	-103.80
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=C1	REAL300000390350	0	39	-2.0	-105.43	355.33	6.73	-98.70
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C=C1	REAL300000390351	1	45	-2.0	-94.47	393.42	8.25	-86.22
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=C1	REAL300000390352	0	36	-2.0	-101.86	343.04	5.68	-96.18
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCC2)C(F)=C1	REAL300000390353	1	42	-2.0	-109.73	365.28	7.44	-102.29
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000390355	1	40	-2.0	-101.59	356.49	6.02	-95.57
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=C1	REAL300000390357	0	39	-2.0	-97.89	358.97	6.35	-91.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=CS1	REAL300000390359	0	36	-2.0	-103.18	341.50	5.70	-97.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCC2)C(F)=C1	REAL300000390361	1	45	-2.0	-108.50	380.00	8.38	-100.12
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000390362	0	39	-2.0	-102.18	352.86	5.80	-96.38
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=C1	REAL300000390363	0	43	-2.0	-108.38	378.84	5.75	-102.63
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CCC2)C(F)=C1	REAL300000390364	1	42	-2.0	-100.02	370.56	7.47	-92.55
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000390365	1	39	-2.0	-105.95	358.45	6.55	-99.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C(Cl)=C1	REAL300000390366	0	39	-2.0	-92.73	362.90	7.23	-85.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C=C1F	REAL300000390367	1	39	-2.0	-90.86	354.37	6.70	-84.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)S1	REAL300000390368	0	36	-2.0	-96.69	342.12	5.79	-90.90
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=C1	REAL300000390369	1	39	-2.0	-98.43	356.26	6.73	-91.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=C1F	REAL300000390370	0	42	-2.0	-106.74	375.61	7.37	-99.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C(F)=C1	REAL300000390371	0	39	-2.0	-94.26	355.31	6.74	-87.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C=C1Cl	REAL300000390372	1	39	-2.0	-88.83	362.34	7.07	-81.76
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=C1	REAL300000390373	0	40	-2.0	-108.90	359.57	4.38	-104.52
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3CCC3)C(F)=C2)=C1	REAL300000390373	1	40	-2.0	-108.34	358.73	5.06	-103.28
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C=C1	REAL300000390374	1	42	-2.0	-99.26	372.02	7.45	-91.81
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2CCC2)C(F)=C1	REAL300000390375	1	42	-2.0	-103.21	359.69	7.30	-95.91
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=CC(C(=O)[O-])=C1F	REAL300000390376	1	42	-2.0	-106.45	374.68	7.32	-99.13
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000390380	0	42	-2.0	-107.70	375.22	7.37	-100.33
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=C1	REAL300000390381	0	42	-2.0	-111.29	374.89	7.36	-103.93
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000390382	1	45	-2.0	-104.79	383.94	7.85	-96.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000390383	1	43	-2.0	-102.80	377.87	6.89	-95.91
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=C1F	REAL300000390386	0	39	-2.0	-110.56	353.51	6.70	-103.86
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000390387	1	42	-2.0	-96.00	374.97	7.34	-88.66
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=C1	REAL300000390388	0	38	-2.0	-105.73	346.84	4.72	-101.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2CCC2)C(F)=C1	REAL300000390389	0	43	-2.0	-99.39	378.05	6.46	-92.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)=C(Cl)O1	REAL300000390390	0	36	-2.0	-95.67	350.00	5.65	-90.02
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCC3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000390391	0	42	-2.0	-102.27	371.98	6.65	-95.62
CC1=CC=C2OC(C)CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C2=C1	REAL300000390415	0	42	-2.0	-110.78	365.07	7.58	-103.20
CC1=CC=C2OC(C)CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000390435	0	40	-2.0	-111.82	343.06	5.63	-106.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=CC=C1F	REAL300000390466	1	37	-2.0	-111.92	335.14	6.63	-105.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1	REAL300000390467	1	37	-2.0	-102.15	330.59	6.61	-95.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390468	1	37	-2.0	-115.12	330.59	6.60	-108.52
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)C2=C1	REAL300000390469	0	41	-2.0	-119.69	358.72	6.40	-113.29
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1	REAL300000390470	1	41	-2.0	-101.28	362.05	7.90	-93.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000390471	1	40	-2.0	-115.94	346.61	7.14	-108.80
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390472	0	37	-2.0	-109.62	343.67	7.18	-102.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=CC=C1Cl	REAL300000390473	1	37	-2.0	-110.34	343.11	7.00	-103.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1C	REAL300000390474	1	43	-2.0	-116.94	363.27	7.95	-108.99
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390475	0	37	-2.0	-111.58	336.06	6.67	-104.91
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1	REAL300000390476	1	43	-2.0	-100.28	374.16	8.19	-92.09
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390477	0	34	-2.0	-109.24	323.78	5.62	-103.62
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)C2=C1	REAL300000390478	1	40	-2.0	-114.67	346.03	7.39	-107.28
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1	REAL300000390479	1	41	-2.0	-99.99	361.67	6.89	-93.10
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000390480	0	38	-2.0	-113.56	337.24	5.95	-107.61
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390482	0	37	-2.0	-105.13	339.70	6.29	-98.84
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000390483	1	43	-2.0	-116.37	361.66	7.94	-108.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=CS1	REAL300000390484	0	34	-2.0	-110.28	322.24	5.64	-104.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000390485	1	41	-2.0	-121.03	357.89	6.67	-114.36
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390486	1	47	-2.0	-118.78	385.83	9.23	-109.55
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)C2=C1	REAL300000390487	1	46	-2.0	-116.97	384.49	8.60	-108.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)C2=C1	REAL300000390488	1	43	-2.0	-112.60	360.74	8.32	-104.28
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)C2=C1	REAL300000390489	0	44	-2.0	-121.57	381.02	7.17	-114.40
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3CCCC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000390490	0	40	-2.0	-111.95	361.47	7.17	-104.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000390490	1	39	-3.0	-192.18	359.00	7.17	-185.01
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390491	1	44	-2.0	-119.13	374.84	8.50	-110.63
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000390492	0	37	-2.0	-107.92	333.61	5.74	-102.18
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390493	0	41	-2.0	-116.08	359.58	5.70	-110.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C(Cl)C=C1F	REAL300000390494	0	37	-2.0	-106.11	348.18	7.20	-98.91
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)C2=C1	REAL300000390496	1	40	-2.0	-105.29	351.30	7.42	-97.87
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1F	REAL300000390497	1	41	-2.0	-99.37	367.89	6.95	-92.42
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000390498	1	44	-2.0	-121.68	379.73	7.58	-114.10
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000390499	0	37	-2.0	-111.05	340.29	6.49	-104.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C(Cl)=C1	REAL300000390500	0	37	-2.0	-99.59	343.65	7.16	-92.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1F	REAL300000390501	1	37	-2.0	-101.57	335.11	6.64	-94.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)S1	REAL300000390502	0	34	-2.0	-103.80	322.87	5.73	-98.07
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390503	1	37	-2.0	-105.78	337.00	6.67	-99.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1F	REAL300000390504	0	40	-2.0	-113.09	356.35	7.30	-105.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C(F)=C1	REAL300000390505	0	37	-2.0	-101.78	336.06	6.67	-95.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1Cl	REAL300000390506	1	37	-2.0	-99.59	343.10	7.01	-92.58
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)C2=C1	REAL300000390507	1	40	-2.0	-106.95	360.04	7.81	-99.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=CC(F)=C1F	REAL300000390508	1	37	-2.0	-103.39	341.43	6.70	-96.69
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390509	0	39	-2.0	-99.79	358.79	7.27	-92.52
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390510	0	38	-2.0	-113.10	340.31	4.32	-108.78
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390510	1	38	-2.0	-108.40	329.32	5.21	-103.19
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1	REAL300000390511	1	40	-2.0	-104.92	352.77	7.39	-97.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=CC(Cl)=C1F	REAL300000390512	1	37	-2.0	-104.83	351.31	7.13	-97.70
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)C2=C1	REAL300000390513	1	40	-2.0	-111.79	340.14	7.27	-104.52
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000390514	1	40	-2.0	-113.87	355.43	7.25	-106.62
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000390516	1	43	-2.0	-119.42	367.40	7.77	-111.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=CC=C1[N+](=O)[O-]	REAL300000390517	0	39	-2.0	-112.57	357.15	7.69	-104.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390518	0	37	-2.0	-103.23	342.35	6.73	-96.50
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000390520	0	40	-2.0	-113.94	355.91	7.30	-106.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1Cl	REAL300000390521	0	40	-2.0	-111.46	362.38	7.74	-103.72
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390522	0	40	-2.0	-120.89	355.63	7.30	-113.59
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000390523	1	43	-2.0	-116.67	364.84	7.79	-108.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1CC(=O)[O-]	REAL300000390524	1	44	-2.0	-115.32	381.07	6.74	-108.58
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)C2=C1	REAL300000390525	1	40	-2.0	-104.67	356.86	7.78	-96.89
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000390526	1	40	-2.0	-112.78	361.82	7.56	-105.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000390527	0	41	-2.0	-114.85	358.62	6.81	-108.04
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000390528	1	40	-2.0	-109.26	364.34	7.67	-101.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000390529	1	40	-2.0	-102.34	346.60	7.15	-95.19
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)C2=C1	REAL300000390530	1	40	-2.0	-112.17	350.13	7.43	-104.74
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=CC=C1	REAL300000390531	0	39	-2.0	-123.16	354.32	8.45	-114.71
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=CC=C1	REAL300000390532	0	37	-2.0	-120.01	334.26	6.64	-113.37
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000390533	1	40	-2.0	-107.40	355.54	7.28	-100.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=CC2=CC=CC=C21	REAL300000390534	1	43	-2.0	-123.13	371.64	8.72	-114.41
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C1	REAL300000390535	0	36	-2.0	-110.83	327.58	4.66	-106.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)C2=C1	REAL300000390536	0	41	-2.0	-106.44	358.80	6.40	-100.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)=C(Cl)O1	REAL300000390537	0	34	-2.0	-102.02	330.74	5.58	-96.44
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCCC(=O)C4=C3)C=C2)CC1	REAL300000390538	1	44	-2.0	-108.29	376.72	8.49	-99.80
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCCC(=O)C4=C3)C=C2C1	REAL300000390539	1	44	-2.0	-114.07	376.03	8.49	-105.58
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000390540	0	40	-2.0	-107.60	352.73	6.59	-101.01
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC=C(Cl)C=C32)=CC(C(=O)[O-])=C1	REAL300000390568	0	35	-2.0	-112.86	338.15	8.06	-104.80
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC=C(Cl)C=C32)=C1	REAL300000390591	0	33	-2.0	-110.33	308.22	6.16	-104.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)=CC=C1F	REAL300000390625	0	29	-2.0	-102.79	302.26	2.84	-99.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)C=C1	REAL300000390626	0	29	-2.0	-93.71	297.70	2.83	-90.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)=C1	REAL300000390627	0	29	-2.0	-107.03	297.72	2.82	-104.21
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)C=C1	REAL300000390628	0	33	-2.0	-93.22	329.17	4.11	-89.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)C=C1C(=O)[O-]	REAL300000390629	0	32	-2.0	-106.19	313.74	3.34	-102.85
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)=C1	REAL300000390630	0	29	-2.0	-104.10	303.18	2.87	-101.23
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)=C1	REAL300000390631	0	26	-2.0	-101.20	290.91	1.83	-99.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Br)=CC=C1O	REAL300000390632	0	32	-2.0	-108.06	313.15	3.59	-104.47
CN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)C=C1C(=O)[O-]	REAL300000390633	0	30	-2.0	-104.94	304.37	2.16	-102.78
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)=C1	REAL300000390634	0	29	-2.0	-96.33	306.83	2.49	-93.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)=CS1	REAL300000390635	0	26	-2.0	-101.22	289.38	1.85	-99.37
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000390636	0	29	-2.0	-101.11	300.73	1.96	-99.15
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)C=C(C(=O)[O-])S1	REAL300000390637	0	29	-2.0	-104.47	307.41	2.69	-101.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)C=C1F	REAL300000390638	0	29	-2.0	-93.10	302.24	2.86	-90.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)S1	REAL300000390639	0	26	-2.0	-95.18	289.98	1.94	-93.24
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)=C1	REAL300000390640	0	29	-2.0	-96.43	304.13	2.88	-93.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)C(F)=C1	REAL300000390641	0	29	-2.0	-92.84	303.18	2.89	-89.95
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)=C1	REAL300000390642	0	30	-2.0	-106.95	307.42	0.53	-106.42
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)C=C1	REAL300000390643	0	32	-2.0	-97.49	319.91	3.59	-93.90
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC=C1O	REAL300000390644	0	32	-2.0	-101.09	307.76	3.45	-97.64
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC=C1O	REAL300000390645	0	32	-2.0	-94.16	313.13	3.59	-90.57
CCN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)C=C1C(=O)[O-]	REAL300000390646	0	33	-2.0	-104.84	325.67	3.02	-101.82
CC1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000390647	0	32	-2.0	-93.85	313.73	3.35	-90.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)=C1F	REAL300000390648	0	29	-2.0	-108.83	301.35	2.84	-105.99
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)=C1	REAL300000390649	0	28	-2.0	-103.48	293.93	0.93	-102.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)=C(Cl)O1	REAL300000390650	0	26	-2.0	-94.55	297.82	1.78	-92.77
CCC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000390651	0	32	-2.0	-100.96	319.84	2.81	-98.15
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390652	1	40	-2.0	-135.01	362.68	5.43	-129.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CC2=C1OCCO2	REAL300000390655	0	34	-2.0	-140.16	316.39	5.05	-135.11
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=CC2=C1OCCO2	REAL300000390656	0	37	-2.0	-115.96	343.86	4.48	-111.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CC2=C1OCCO2	REAL300000390657	0	33	-2.0	-120.24	319.75	3.40	-116.84
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390658	1	35	-2.0	-127.82	328.72	5.16	-122.66
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000390659	1	35	-2.0	-123.12	328.71	5.17	-117.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=CC2=C1OCCO2	REAL300000390660	0	34	-2.0	-127.37	330.12	5.35	-122.02
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390661	0	35	-2.0	-139.10	325.99	5.05	-134.05
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1F	REAL300000390662	0	37	-2.0	-140.61	343.40	5.36	-135.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000390663	1	39	-2.0	-128.32	354.78	6.06	-122.26
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390664	0	37	-2.0	-124.75	324.10	2.59	-122.16
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000390666	0	37	-2.0	-113.22	338.82	5.35	-107.87
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390667	0	42	-2.0	-141.55	365.63	3.85	-137.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1OC	REAL300000390668	1	42	-2.0	-129.48	366.62	3.98	-125.50
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390670	0	36	-2.0	-119.24	321.07	3.74	-115.50
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390671	0	37	-2.0	-113.60	342.89	5.22	-108.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390671	1	36	-3.0	-200.90	336.35	5.33	-195.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=CC2=C1OCCO2	REAL300000390672	1	34	-2.0	-120.27	320.59	4.89	-115.38
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390673	1	37	-2.0	-133.20	329.30	5.44	-127.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CC2=C1OCCO2	REAL300000390675	1	34	-2.0	-128.05	324.62	5.29	-122.76
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000390676	1	39	-2.0	-129.66	348.35	5.17	-124.49
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390677	1	40	-2.0	-133.73	344.79	6.20	-127.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=CC2=C1OCCO2	REAL300000390679	1	34	-2.0	-120.68	330.48	5.34	-115.34
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390680	1	39	-2.0	-142.18	348.38	5.16	-137.02
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390682	0	40	-2.0	-144.89	354.90	6.12	-138.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CC2=C1OCCO2	REAL300000390686	0	31	-2.0	-123.14	316.86	4.39	-118.75
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390688	0	38	-2.0	-139.89	336.15	4.55	-135.34
CC1=CC=C(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000390689	0	40	-2.0	-141.04	354.85	5.87	-135.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=CC2=C1OCCO2	REAL300000390690	0	34	-2.0	-123.72	325.95	4.95	-118.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=CC2=C1OCCO2	REAL300000390691	0	34	-2.0	-132.79	321.03	5.33	-127.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CC2=C1OCCO2	REAL300000390692	1	36	-2.0	-128.09	336.11	5.44	-122.65
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390693	1	39	-2.0	-129.45	351.60	6.21	-123.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC2=C1OCCO2	REAL300000390694	0	31	-2.0	-129.69	299.82	3.77	-125.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=CC2=C1OCCO2	REAL300000390696	0	36	-2.0	-143.96	326.44	6.16	-137.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=CC2=C1OCCO2	REAL300000390699	0	34	-2.0	-126.49	319.80	4.89	-121.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC2=C1OCCO2	REAL300000390700	1	34	-2.0	-128.16	314.30	4.84	-123.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=CC2=C1OCCO2	REAL300000390701	1	34	-2.0	-121.16	320.71	4.90	-116.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=CC2=C1OCCO2	REAL300000390703	1	40	-2.0	-131.50	352.38	3.93	-127.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=CC2=C1OCCO2	REAL300000390705	1	34	-2.0	-124.54	324.62	5.29	-119.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC2=C1OCCO2	REAL300000390706	0	36	-2.0	-118.10	336.12	5.44	-112.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=CC2=C1OCCO2	REAL300000390707	1	34	-2.0	-132.38	307.88	4.77	-127.61
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000390708	1	41	-2.0	-137.68	364.23	3.67	-134.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000390709	0	34	-2.0	-130.84	321.70	4.57	-126.27
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390710	0	38	-2.0	-131.70	352.88	5.07	-126.63
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390711	0	36	-3.0	-199.82	341.83	5.38	-194.44
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390712	1	39	-2.0	-125.29	346.13	6.04	-119.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=CC2=C1OCCO2	REAL300000390713	0	34	-2.0	-130.96	319.80	4.89	-126.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=CC2=C1OCCO2	REAL300000390714	1	38	-2.0	-125.97	343.64	1.59	-124.38
CSC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000390715	1	38	-2.0	-129.19	348.08	5.80	-123.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=CC2=C1OCCO2	REAL300000390716	1	39	-2.0	-127.49	349.91	3.21	-124.28
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390717	0	33	-3.0	-192.75	329.54	4.34	-188.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=CC2=C1OCCO2	REAL300000390718	1	37	-2.0	-125.35	339.64	2.28	-123.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390720	0	40	-2.0	-140.20	353.66	6.13	-134.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390720	1	39	-3.0	-203.89	351.79	6.11	-197.78
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390721	0	40	-2.0	-128.64	344.59	3.80	-124.84
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000390722	1	40	-2.0	-125.64	362.65	5.44	-120.20
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000390723	1	41	-2.0	-130.05	364.32	3.05	-127.00
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000390724	1	38	-2.0	-130.01	342.39	1.55	-128.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC2=C1OCCO2	REAL300000390726	1	40	-2.0	-134.87	353.83	7.05	-127.82
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=CS1	REAL300000390727	0	37	-2.0	-141.62	347.48	5.06	-136.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC2=C1OCCO2	REAL300000390732	0	34	-2.0	-136.38	313.37	4.83	-131.55
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390733	0	40	-2.0	-144.86	360.74	3.35	-141.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000390735	0	37	-2.0	-132.54	342.43	6.00	-126.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=CC2=C1OCCO2	REAL300000390737	0	34	-2.0	-123.55	327.42	5.39	-118.16
CN1C=C(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000390739	0	38	-2.0	-107.62	345.48	4.68	-102.94
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000390739	1	37	-3.0	-197.70	342.99	4.67	-193.03
CN1C=NC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1Cl	REAL300000390740	0	34	-2.0	-137.60	325.36	4.33	-133.27
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000390741	0	39	-2.0	-128.28	349.84	0.92	-127.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1F	REAL300000390743	1	38	-2.0	-126.80	343.60	4.15	-122.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000390746	1	41	-2.0	-125.47	358.47	2.21	-123.26
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000390747	0	34	-2.0	-126.92	312.44	2.48	-124.44
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390748	1	39	-2.0	-118.56	351.60	6.21	-112.35
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CN1C	REAL300000390750	0	42	-2.0	-128.79	371.77	2.42	-126.37
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390751	1	37	-2.0	-129.00	340.11	6.07	-122.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390754	0	36	-3.0	-187.81	345.46	5.01	-182.80
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1Cl	REAL300000390755	1	35	-2.0	-119.40	344.10	5.58	-113.82
N#CC1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000390756	1	35	-2.0	-120.13	344.12	5.58	-114.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=CC2=C1OCCO2	REAL300000390757	1	38	-2.0	-135.88	346.25	5.13	-130.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1Cl	REAL300000390758	1	37	-2.0	-128.73	343.35	5.89	-122.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=CC2=C1OCCO2	REAL300000390759	0	34	-2.0	-131.98	329.56	5.33	-126.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1F	REAL300000390760	1	37	-2.0	-128.44	334.61	5.48	-122.96
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390761	1	37	-2.0	-125.03	340.11	6.03	-119.00
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390762	0	37	-2.0	-136.85	334.81	5.49	-131.36
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390763	1	37	-2.0	-129.19	329.78	5.61	-123.58
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390765	0	39	-2.0	-144.49	341.48	7.03	-137.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CS1	REAL300000390766	0	33	-3.0	-194.87	328.00	4.35	-190.52
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CS1	REAL300000390766	1	34	-2.0	-133.04	330.49	4.37	-128.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=CC2=C1OCCO2	REAL300000390767	0	36	-2.0	-135.91	335.37	6.26	-129.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=CC2=C1OCCO2	REAL300000390768	0	36	-2.0	-138.15	341.28	6.15	-132.00
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390771	0	38	-2.0	-136.06	339.08	3.14	-132.92
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390771	1	38	-2.0	-127.21	328.13	4.01	-123.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2)=CC2=C1OCCO2	REAL300000390772	0	31	-2.0	-123.95	289.48	1.16	-122.79
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000390773	0	37	-2.0	-123.25	355.76	4.53	-118.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=CC2=C1OCCO2	REAL300000390774	1	38	-2.0	-121.99	345.66	5.14	-116.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=CC2=C1OCCO2	REAL300000390775	0	34	-2.0	-128.68	322.80	5.11	-123.57
CC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000390776	0	36	-3.0	-192.30	339.36	4.46	-187.84
CC1=C(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000390776	1	37	-2.0	-105.79	325.96	3.71	-102.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=CC2=C1OCCO2	REAL300000390777	0	37	-2.0	-153.35	336.09	3.97	-149.38
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390778	0	44	-2.0	-142.02	379.41	6.14	-135.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=CC2=C1OCCO2	REAL300000390779	0	36	-2.0	-148.69	330.59	6.28	-142.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC2=C1OCCO2	REAL300000390780	0	33	-2.0	-120.77	309.29	3.05	-117.72
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390781	0	37	-2.0	-129.19	355.94	4.42	-124.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=CC2=C1OCCO2	REAL300000390782	1	39	-2.0	-133.19	344.05	5.19	-128.00
CN1C=NC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390783	0	34	-2.0	-138.93	311.91	3.86	-135.07
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)C=C12	REAL300000390785	0	38	-2.0	-118.84	347.64	1.75	-117.09
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000390786	0	34	-2.0	-118.41	323.83	3.30	-115.11
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=CC2=C1OCCO2	REAL300000390787	0	34	-2.0	-132.72	319.67	4.90	-127.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=CC2=C1OCCO2	REAL300000390788	0	40	-2.0	-138.03	351.03	4.40	-133.63
CC1=NC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CN1C	REAL300000390789	0	37	-2.0	-139.90	331.59	3.65	-136.25
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000390790	0	37	-2.0	-127.15	333.98	3.32	-123.83
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390791	1	41	-2.0	-134.46	362.96	4.49	-129.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=CC2=C1OCCO2	REAL300000390792	1	39	-2.0	-129.70	343.86	4.07	-125.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=CC2=C1OCCO2	REAL300000390793	0	34	-2.0	-127.84	327.42	5.39	-122.45
CC1=NNC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390796	0	34	-2.0	-124.72	308.30	1.80	-122.92
COC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390797	1	38	-2.0	-133.84	337.40	4.07	-129.77
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390798	1	37	-2.0	-132.67	323.38	5.52	-127.15
CN1C=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000390799	0	34	-2.0	-136.53	312.73	2.30	-134.23
CN1N=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390800	0	34	-2.0	-121.23	308.13	2.38	-118.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(F)=C1	REAL300000390806	0	37	-2.0	-135.90	334.80	5.50	-130.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC=N2)=CC2=C1OCCO2	REAL300000390808	0	31	-2.0	-136.84	289.20	2.17	-134.67
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)O1	REAL300000390809	0	37	-2.0	-123.04	347.43	3.55	-119.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=CC2=C1OCCO2	REAL300000390810	0	39	-2.0	-149.28	347.83	5.39	-143.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=CC2=C1OCCO2	REAL300000390811	0	34	-2.0	-121.53	326.09	4.95	-116.58
CC1=C(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000390812	0	37	-2.0	-135.86	348.61	5.20	-130.66
CC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000390812	1	36	-3.0	-198.04	346.05	5.22	-192.82
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390813	0	38	-2.0	-133.68	350.49	4.63	-129.05
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000390814	0	36	-2.0	-121.15	338.54	3.98	-117.17
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390815	0	40	-2.0	-138.49	366.04	2.35	-136.14
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390818	0	46	-2.0	-129.32	387.06	5.38	-123.94
CC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)SC=C1	REAL300000390819	0	34	-2.0	-132.95	318.62	4.39	-128.56
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C	REAL300000390820	0	43	-2.0	-128.73	367.32	4.71	-124.02
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000390821	0	39	-2.0	-118.81	352.10	5.96	-112.85
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390824	1	38	-2.0	-128.71	344.16	5.94	-122.77
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390825	1	46	-2.0	-130.97	360.56	7.34	-123.63
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390826	1	38	-2.0	-123.46	344.14	5.93	-117.53
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(F)=C1	REAL300000390829	0	35	-2.0	-125.84	334.19	5.22	-120.62
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)C=C2O1	REAL300000390830	1	39	-2.0	-128.08	351.54	2.43	-125.65
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000390831	0	40	-2.0	-127.31	352.66	3.85	-123.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=CC2=C1OCCO2	REAL300000390833	1	39	-2.0	-131.63	348.85	5.15	-126.48
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000390834	0	40	-2.0	-132.51	367.25	3.53	-128.98
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CN1	REAL300000390835	0	40	-2.0	-136.59	351.86	3.20	-133.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=CC2=C1OCCO2	REAL300000390838	1	34	-2.0	-114.29	326.88	4.96	-109.33
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CN1C	REAL300000390840	0	41	-2.0	-133.41	369.05	4.86	-128.55
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1F	REAL300000390841	0	37	-2.0	-117.23	343.37	5.37	-111.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1F	REAL300000390841	1	36	-3.0	-182.79	340.88	5.37	-177.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000390843	0	33	-3.0	-186.27	328.62	4.45	-181.82
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390844	0	43	-2.0	-139.32	372.44	6.01	-133.31
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390845	0	37	-2.0	-109.80	349.29	5.28	-104.52
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390845	1	36	-3.0	-190.04	342.76	5.39	-184.65
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CN1	REAL300000390846	0	38	-2.0	-130.51	351.29	3.10	-127.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(F)=C1	REAL300000390847	0	36	-3.0	-184.03	341.82	5.39	-178.64
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(F)=C1	REAL300000390847	1	37	-2.0	-114.21	335.00	4.98	-109.23
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390848	1	37	-2.0	-127.32	328.68	5.58	-121.74
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CS1	REAL300000390849	0	37	-2.0	-129.76	355.16	4.44	-125.32
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000390850	0	36	-2.0	-127.71	333.08	3.32	-124.39
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000390851	1	38	-2.0	-137.95	350.15	5.94	-132.01
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390852	1	40	-2.0	-133.58	350.78	6.20	-127.38
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390853	1	37	-2.0	-128.21	335.71	5.50	-122.71
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390855	0	40	-2.0	-124.30	365.78	4.22	-120.08
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000390856	0	37	-2.0	-126.78	340.10	5.52	-121.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=CC2=C1OCCO2	REAL300000390857	1	40	-2.0	-141.44	348.94	7.07	-134.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=CC2=C1OCCO2	REAL300000390858	0	36	-2.0	-127.59	339.88	4.25	-123.34
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390859	0	37	-3.0	-203.15	346.07	3.04	-200.11
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390859	1	37	-3.0	-194.68	335.11	3.92	-190.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=CC2=C1OCCO2	REAL300000390860	1	44	-2.0	-137.17	363.21	7.39	-129.78
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000390861	0	40	-2.0	-114.45	361.24	6.07	-108.38
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000390861	1	39	-3.0	-191.28	358.52	6.12	-185.16
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)O1	REAL300000390862	0	40	-2.0	-123.24	369.30	4.48	-118.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=CC2=C1OCCO2	REAL300000390863	0	36	-2.0	-118.99	342.51	5.50	-113.49
COC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)SC=C1	REAL300000390865	0	35	-2.0	-140.72	329.18	3.48	-137.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CC2=C1OCCO2	REAL300000390866	0	37	-2.0	-132.16	337.66	5.17	-126.99
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390867	0	34	-2.0	-118.36	322.86	3.71	-114.65
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)N=C1Cl	REAL300000390868	0	34	-2.0	-132.46	328.24	3.59	-128.87
COC1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC(OC)=C1	REAL300000390869	1	42	-2.0	-134.34	366.87	3.37	-130.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=CC2=C1OCCO2	REAL300000390870	0	35	-2.0	-134.67	323.72	3.50	-131.17
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390871	0	35	-2.0	-121.20	330.11	2.59	-118.61
CC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000390872	0	33	-2.0	-126.38	316.42	2.60	-123.78
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390873	0	40	-2.0	-106.48	348.26	5.98	-100.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390873	1	39	-3.0	-195.70	346.39	5.97	-189.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390875	0	40	-2.0	-115.75	353.64	6.13	-109.62
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(F)=C1	REAL300000390876	0	35	-2.0	-127.87	337.18	5.43	-122.44
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1F	REAL300000390877	0	37	-2.0	-130.74	340.10	5.54	-125.20
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390880	0	40	-2.0	-138.11	353.33	5.14	-132.97
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000390881	0	39	-2.0	-120.64	358.62	3.61	-117.03
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390882	1	42	-2.0	-142.59	370.97	6.04	-136.55
COCCN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000390883	0	41	-2.0	-125.18	367.64	2.38	-122.80
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300000390884	0	39	-2.0	-133.59	358.21	5.59	-128.00
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C#N	REAL300000390886	0	38	-2.0	-140.01	345.15	5.56	-134.45
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000390887	0	43	-2.0	-131.24	380.89	6.42	-124.82
CCCN1C=NC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390888	0	40	-2.0	-137.81	355.38	5.51	-132.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=CC2=C1OCCO2	REAL300000390889	0	42	-2.0	-125.50	365.93	2.51	-122.99
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1F	REAL300000390890	0	37	-2.0	-137.44	333.71	5.49	-131.95
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000390891	1	40	-2.0	-123.15	356.92	2.40	-120.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=CC2=C1OCCO2	REAL300000390892	0	41	-2.0	-141.13	353.67	4.80	-136.33
COCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000390893	1	41	-2.0	-131.72	362.96	4.50	-127.22
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390894	0	39	-2.0	-136.70	347.16	1.76	-134.94
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1Cl	REAL300000390895	0	37	-2.0	-133.82	339.76	5.90	-127.92
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C(C)O1	REAL300000390897	0	37	-2.0	-129.52	330.87	4.34	-125.18
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390899	1	41	-2.0	-130.75	354.49	4.80	-125.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)O1	REAL300000390901	0	34	-2.0	-129.70	312.49	3.58	-126.12
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390902	0	37	-2.0	-131.85	340.11	5.13	-126.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=CC2=C1OCCO2	REAL300000390903	1	37	-2.0	-127.00	333.94	3.42	-123.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=CC2=C1OCCO2	REAL300000390904	0	36	-2.0	-115.72	340.64	5.46	-110.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=CC2=C1OCCO2	REAL300000390905	1	34	-2.0	-121.58	331.03	5.35	-116.23
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C(C)O1	REAL300000390906	0	40	-2.0	-125.27	365.75	4.32	-120.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=CC2=C1OCCO2	REAL300000390907	0	33	-2.0	-121.09	319.64	3.47	-117.62
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)N=C1C	REAL300000390908	0	40	-2.0	-139.94	353.60	4.56	-135.38
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390909	0	37	-2.0	-133.39	342.44	5.99	-127.40
CCN1C=C(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000390910	0	41	-2.0	-108.00	366.85	5.55	-102.45
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000390910	1	40	-3.0	-199.27	364.38	5.53	-193.74
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390911	0	37	-2.0	-127.66	347.78	3.51	-124.15
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390912	0	46	-2.0	-130.22	384.03	5.35	-124.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=CC2=C1OCCO2	REAL300000390913	0	34	-2.0	-136.27	323.94	5.56	-130.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000390914	0	36	-2.0	-128.96	337.78	4.08	-124.88
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390915	0	39	-2.0	-129.74	356.94	4.95	-124.79
CCC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000390916	0	36	-2.0	-125.97	337.90	3.34	-122.63
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000390918	0	35	-2.0	-122.87	341.78	5.72	-117.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CC2=C1OCCO2	REAL300000390919	0	37	-2.0	-141.06	335.82	5.08	-135.98
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390920	0	39	-2.0	-126.21	357.84	3.63	-122.58
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390921	0	44	-2.0	-139.56	371.43	6.53	-133.03
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390925	0	34	-2.0	-123.70	336.87	4.98	-118.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=CC2=C1OCCO2	REAL300000390926	1	37	-2.0	-138.05	342.06	5.71	-132.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=CC2=C1OCCO2	REAL300000390927	0	37	-2.0	-125.91	345.82	3.66	-122.25
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390928	1	38	-2.0	-139.38	343.97	5.82	-133.56
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390929	1	43	-2.0	-136.12	361.90	6.77	-129.35
COC1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1F	REAL300000390930	1	38	-2.0	-123.08	343.60	4.15	-118.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=CC2=C1OCCO2	REAL300000390931	0	33	-2.0	-136.90	320.58	5.16	-131.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CO2)=CC2=C1OCCO2	REAL300000390932	0	31	-2.0	-128.57	290.57	2.75	-125.82
CN1N=NC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390933	0	33	-2.0	-114.55	301.32	1.22	-113.33
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)=CN=C21	REAL300000390934	1	39	-2.0	-124.08	352.24	3.90	-120.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=CC2=C1OCCO2	REAL300000390935	0	33	-2.0	-120.42	329.06	4.52	-115.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CC2=C1OCCO2	REAL300000390936	0	38	-2.0	-132.06	335.88	4.21	-127.85
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390937	0	35	-2.0	-127.59	341.80	5.72	-121.87
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390938	1	40	-2.0	-131.76	338.10	6.48	-125.28
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390939	0	42	-2.0	-146.72	361.87	5.28	-141.44
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390941	0	37	-2.0	-137.20	327.49	5.74	-131.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)=CC2=C1OCCO2	REAL300000390942	0	38	-2.0	-144.59	346.28	4.84	-139.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=CC2=C1OCCO2	REAL300000390944	0	35	-2.0	-137.87	332.66	3.07	-134.80
COC1=CN=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390945	0	37	-2.0	-126.95	332.46	2.24	-124.71
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000390949	0	37	-2.0	-133.18	352.84	2.26	-130.92
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000390949	1	36	-3.0	-192.68	349.55	1.13	-191.55
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390950	1	38	-2.0	-133.04	340.74	6.03	-127.01
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390951	1	38	-2.0	-138.19	350.14	5.94	-132.25
CC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(N)=NO1	REAL300000390953	0	35	-2.0	-118.44	314.32	2.17	-116.27
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390954	0	38	-2.0	-135.67	352.88	5.08	-130.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=CC2=C1OCCO2	REAL300000390955	0	35	-2.0	-125.44	335.39	3.53	-121.91
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390957	1	41	-2.0	-134.83	352.85	4.84	-129.99
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000390959	0	32	-2.0	-120.76	320.40	4.33	-116.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000390960	0	36	-2.0	-127.83	324.49	3.60	-124.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=CC2=C1OCCO2	REAL300000390961	0	39	-2.0	-130.23	349.07	5.13	-125.10
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1C#N	REAL300000390962	1	38	-2.0	-122.85	347.85	5.66	-117.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=CC2=C1OCCO2	REAL300000390963	0	33	-2.0	-114.58	325.63	3.44	-111.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(F)=C1	REAL300000390965	0	38	-2.0	-132.41	342.87	4.13	-128.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=CC2=C1OCCO2	REAL300000390967	1	37	-2.0	-129.32	342.06	5.71	-123.61
CC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000390969	0	37	-2.0	-122.26	324.78	3.25	-119.01
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)O1	REAL300000390971	0	32	-2.0	-120.73	311.82	3.30	-117.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2)=CC2=C1OCCO2	REAL300000390972	0	31	-2.0	-127.53	298.99	3.68	-123.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC=C2)=CC2=C1OCCO2	REAL300000390973	0	31	-2.0	-127.37	290.42	2.65	-124.72
CC1=CC(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000390974	0	40	-2.0	-111.08	354.86	5.86	-105.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000390975	1	37	-2.0	-123.17	335.06	1.46	-121.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=CC2=C1OCCO2	REAL300000390976	0	34	-2.0	-130.90	330.12	5.35	-125.55
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390977	1	45	-2.0	-134.25	386.03	5.90	-128.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=CC2=C1OCCO2	REAL300000390978	0	37	-2.0	-133.40	344.45	6.12	-127.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=CC2=C1OCCO2	REAL300000390979	0	37	-2.0	-136.44	334.50	3.40	-133.04
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390980	1	41	-2.0	-133.96	359.24	5.00	-128.96
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000390982	1	43	-2.0	-134.43	375.18	7.70	-126.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=CC2=C1OCCO2	REAL300000390983	0	31	-2.0	-131.59	315.87	4.21	-127.38
CC1=CSC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390984	0	34	-2.0	-129.79	321.46	4.42	-125.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC2=C1OCCO2	REAL300000390985	0	31	-2.0	-123.94	306.18	1.57	-122.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=CC2=C1OCCO2	REAL300000390986	0	33	-2.0	-122.77	314.81	2.88	-119.89
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390987	0	43	-2.0	-124.74	372.42	3.82	-120.92
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000390988	1	43	-2.0	-123.69	377.05	3.33	-120.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=CC2=C1OCCO2	REAL300000390990	0	37	-2.0	-125.69	344.07	5.23	-120.46
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000390991	0	39	-2.0	-140.09	348.99	4.36	-135.73
CC1=NSC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000390992	0	33	-2.0	-122.27	316.38	3.06	-119.21
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC2=C1OCCO2	REAL300000390996	0	31	-2.0	-134.88	306.17	3.80	-131.08
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1F	REAL300000390997	1	35	-2.0	-119.38	334.59	5.21	-114.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NC=CN2)=CC2=C1OCCO2	REAL300000391001	0	31	-2.0	-130.23	289.51	1.35	-128.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=CC2=C1OCCO2	REAL300000391002	0	39	-2.0	-136.34	344.88	1.67	-134.67
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000391003	0	37	-2.0	-133.44	339.34	5.30	-128.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=CC2=C1OCCO2	REAL300000391004	0	35	-2.0	-118.22	331.27	3.63	-114.59
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391005	0	36	-2.0	-120.17	335.45	4.14	-116.03
CC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=NN1C	REAL300000391009	0	37	-2.0	-129.20	328.56	2.99	-126.21
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000391010	1	38	-2.0	-132.07	338.97	5.86	-126.21
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391011	0	37	-2.0	-127.89	331.27	3.12	-124.77
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000391012	0	34	-2.0	-119.98	323.75	3.38	-116.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=CC2=C1OCCO2	REAL300000391015	0	34	-2.0	-124.51	323.56	2.29	-122.22
COC1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000391017	1	38	-2.0	-123.93	353.41	4.63	-119.30
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000391018	0	38	-2.0	-141.11	359.48	1.40	-139.71
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1F	REAL300000391019	0	36	-3.0	-203.87	340.02	5.37	-198.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=CC2=C1OCCO2	REAL300000391020	0	36	-2.0	-142.88	339.09	4.18	-138.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=CC2=C1OCCO2	REAL300000391021	1	39	-2.0	-134.21	343.69	4.61	-129.60
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391023	0	37	-2.0	-132.83	335.02	6.26	-126.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CC2=C1OCCO2	REAL300000391024	0	39	-2.0	-142.50	344.20	4.58	-137.92
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(F)=C1	REAL300000391029	0	37	-2.0	-139.06	337.80	5.72	-133.34
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)=CC=C21	REAL300000391030	1	39	-2.0	-129.38	351.74	3.22	-126.16
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391032	0	38	-2.0	-135.90	342.56	4.62	-131.28
CC1=NOC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391033	0	33	-2.0	-119.21	304.84	2.72	-116.49
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000391034	1	37	-2.0	-125.51	343.36	5.87	-119.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CC2=C1OCCO2	REAL300000391035	1	40	-2.0	-140.94	355.98	5.76	-135.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC2=C1OCCO2	REAL300000391037	0	33	-2.0	-132.09	308.40	2.95	-129.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC2=C1OCCO2	REAL300000391040	0	33	-2.0	-119.26	309.29	2.93	-116.33
N#CC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=CS1	REAL300000391042	0	32	-2.0	-133.65	318.29	4.15	-129.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=CC2=C1OCCO2	REAL300000391045	1	34	-2.0	-121.07	330.48	5.34	-115.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=CC2=C1OCCO2	REAL300000391046	0	42	-2.0	-142.85	360.08	5.97	-136.88
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000391052	1	41	-2.0	-142.50	363.81	2.20	-140.30
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000391054	0	40	-2.0	-129.70	357.13	3.83	-125.87
CC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)N1C	REAL300000391056	0	37	-2.0	-128.04	327.20	3.74	-124.30
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)O1	REAL300000391059	0	40	-2.0	-123.77	365.33	4.14	-119.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=CC2=C1OCCO2	REAL300000391060	0	37	-2.0	-126.90	347.64	4.27	-122.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=CC2=C1OCCO2	REAL300000391061	0	33	-2.0	-123.76	325.27	3.37	-120.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(F)=C1F	REAL300000391063	0	37	-2.0	-132.60	339.97	5.54	-127.06
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)OC=C1	REAL300000391064	0	37	-2.0	-142.37	344.15	3.78	-138.59
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000391065	0	36	-2.0	-143.20	334.96	3.74	-139.46
CCCCN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C)=N1	REAL300000391066	0	46	-2.0	-127.66	395.80	5.52	-122.14
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000391067	0	35	-3.0	-198.40	332.57	3.45	-194.95
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391068	0	38	-2.0	-129.80	340.54	4.82	-124.98
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000391069	1	35	-2.0	-120.86	335.13	5.22	-115.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=CC2=C1OCCO2	REAL300000391070	0	36	-2.0	-142.83	331.06	3.95	-138.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=CC2=C1OCCO2	REAL300000391070	1	36	-2.0	-127.13	331.16	3.81	-123.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C32)=CC2=C1OCCO2	REAL300000391071	0	38	-2.0	-138.40	341.63	4.73	-133.67
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391072	0	44	-2.0	-126.49	368.87	4.88	-121.61
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300000391073	0	46	-2.0	-126.96	376.30	5.39	-121.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=CC2=C1OCCO2	REAL300000391075	0	44	-2.0	-127.40	375.32	5.12	-122.28
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=CC2=C1OCCO2	REAL300000391077	0	35	-2.0	-118.81	313.12	3.41	-115.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=CC2=C1OCCO2	REAL300000391077	1	35	-2.0	-131.01	324.08	2.52	-128.49
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391079	0	37	-2.0	-144.45	338.88	2.42	-142.03
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391080	0	40	-2.0	-128.15	352.05	3.85	-124.30
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1F	REAL300000391081	1	39	-2.0	-129.37	353.67	5.26	-124.11
NC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000391082	0	34	-2.0	-121.51	313.10	2.11	-119.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C#N)=C1	REAL300000391083	0	38	-2.0	-137.67	347.39	5.71	-131.96
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391084	0	38	-2.0	-139.87	339.55	6.00	-133.87
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000391086	1	41	-2.0	-134.80	371.63	6.73	-128.07
COC1=NSC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000391088	0	34	-2.0	-118.90	327.14	0.56	-118.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC2=C1OCCO2	REAL300000391090	0	30	-2.0	-122.08	294.63	2.48	-119.60
CC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C(C(N)=O)O1	REAL300000391093	0	38	-2.0	-129.77	347.43	0.37	-129.40
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391094	1	43	-2.0	-132.69	359.54	7.26	-125.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=CC2=C1OCCO2	REAL300000391095	0	34	-2.0	-137.36	322.62	4.89	-132.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=CC2=C1OCCO2	REAL300000391097	1	39	-2.0	-140.35	344.14	5.26	-135.09
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000391098	0	41	-2.0	-130.96	369.31	4.95	-126.01
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1F	REAL300000391099	0	35	-2.0	-132.13	333.71	5.18	-126.95
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)N=N1	REAL300000391100	0	33	-2.0	-130.89	306.69	1.08	-129.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=CC2=C1OCCO2	REAL300000391101	0	41	-2.0	-127.34	357.79	4.44	-122.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=CC2=C1OCCO2	REAL300000391102	0	41	-2.0	-124.32	355.18	4.65	-119.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=CC2=C1OCCO2	REAL300000391103	0	44	-2.0	-124.18	377.10	5.37	-118.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=CC2=C1OCCO2	REAL300000391104	0	41	-2.0	-129.81	350.82	4.83	-124.98
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391105	0	37	-2.0	-127.05	330.94	5.47	-121.58
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)=C2O1	REAL300000391106	0	42	-2.0	-144.01	365.20	5.34	-138.67
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000391107	0	42	-2.0	-127.10	376.56	4.44	-122.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=CC2=C1OCCO2	REAL300000391108	0	31	-2.0	-127.92	313.37	4.21	-123.71
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391109	0	39	-2.0	-145.46	349.63	4.35	-141.11
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391110	0	36	-2.0	-115.37	323.12	2.10	-113.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=CC2=C1OCCO2	REAL300000391112	1	35	-2.0	-118.34	322.77	3.56	-114.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=CC2=C1OCCO2	REAL300000391113	0	37	-2.0	-132.96	346.74	6.19	-126.77
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391114	0	41	-2.0	-122.72	359.83	4.48	-118.24
COC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1OC	REAL300000391116	0	42	-2.0	-136.88	363.62	4.69	-132.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C32)=CC2=C1OCCO2	REAL300000391117	0	37	-2.0	-132.80	337.66	5.05	-127.75
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000391118	0	41	-2.0	-131.18	363.19	4.68	-126.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=CC2=C1OCCO2	REAL300000391119	0	37	-2.0	-139.05	337.32	3.97	-135.08
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)C=CC=C21	REAL300000391120	0	39	-2.0	-148.50	352.44	3.17	-145.33
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)=C21	REAL300000391121	0	41	-2.0	-133.30	348.84	6.69	-126.61
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CN=C1N	REAL300000391122	1	38	-2.0	-129.98	335.90	2.48	-127.50
COC1=NSC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391123	0	34	-2.0	-126.95	325.21	0.62	-126.33
CC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)N=CN1	REAL300000391124	0	34	-2.0	-138.17	307.02	2.85	-135.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=CC2=C1OCCO2	REAL300000391126	1	37	-2.0	-128.83	341.61	5.15	-123.68
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000391127	0	44	-2.0	-131.49	379.40	5.17	-126.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=CC2=C1OCCO2	REAL300000391128	0	31	-2.0	-127.71	313.73	4.30	-123.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=CC2=C1OCCO2	REAL300000391129	0	44	-2.0	-127.54	381.86	5.41	-122.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=CC2=C1OCCO2	REAL300000391130	0	38	-2.0	-134.79	343.79	6.03	-128.76
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000391131	1	43	-2.0	-133.73	372.28	6.98	-126.75
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000391132	0	40	-2.0	-120.67	365.51	3.04	-117.63
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391133	0	35	-2.0	-133.24	332.40	5.12	-128.12
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391134	0	41	-2.0	-126.85	352.56	4.33	-122.52
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391137	0	43	-2.0	-121.25	354.92	4.66	-116.59
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000391138	0	43	-2.0	-128.18	372.39	4.48	-123.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=CC2=C1OCCO2	REAL300000391139	0	41	-2.0	-128.12	356.47	3.85	-124.27
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000391140	0	45	-2.0	-127.58	382.16	5.58	-122.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=CC2=C1OCCO2	REAL300000391141	1	37	-2.0	-131.34	335.88	5.59	-125.75
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000391142	0	37	-2.0	-122.09	330.07	2.98	-119.11
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C	REAL300000391144	1	40	-2.0	-133.48	340.38	6.07	-127.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=CC2=C1OCCO2	REAL300000391145	1	37	-2.0	-130.86	329.81	5.92	-124.94
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1Cl	REAL300000391146	0	35	-2.0	-128.83	340.51	5.62	-123.21
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=CC2=C1OCCO2	REAL300000391147	1	41	-2.0	-133.50	357.11	6.88	-126.62
COC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=CS1	REAL300000391148	0	35	-2.0	-135.81	330.13	3.22	-132.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=CC2=C1OCCO2	REAL300000391149	0	41	-2.0	-134.34	362.61	6.94	-127.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=CC2=C1OCCO2	REAL300000391150	0	44	-2.0	-125.00	372.71	5.36	-119.64
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391151	0	43	-2.0	-126.41	369.03	4.60	-121.81
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)C2=N1	REAL300000391153	0	39	-2.0	-140.77	351.49	3.12	-137.65
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)O1	REAL300000391154	0	37	-2.0	-129.83	333.97	4.36	-125.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=CC2=C1OCCO2	REAL300000391155	0	34	-2.0	-121.57	331.75	3.98	-117.59
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000391156	1	40	-2.0	-130.60	361.10	6.31	-124.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000391157	0	35	-2.0	-127.29	331.68	3.22	-124.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CC2=C1OCCO2	REAL300000391158	0	37	-2.0	-124.45	340.56	3.47	-120.98
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000391159	1	44	-2.0	-134.70	384.81	5.46	-129.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CC2=C1OCCO2	REAL300000391160	1	37	-2.0	-135.59	328.46	5.73	-129.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC2=C1OCCO2	REAL300000391161	0	37	-2.0	-132.70	333.39	5.16	-127.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=CC2=C1OCCO2	REAL300000391162	1	36	-2.0	-132.25	338.83	4.17	-128.08
CCN1N=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000391163	0	36	-2.0	-126.71	328.60	1.63	-125.08
CCN1N=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1Cl	REAL300000391164	0	37	-2.0	-124.97	349.59	3.68	-121.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC2=C1OCCO2	REAL300000391165	0	31	-2.0	-122.89	307.64	3.38	-119.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000391166	1	43	-2.0	-142.28	366.66	7.61	-134.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=CC2=C1OCCO2	REAL300000391169	0	38	-2.0	-131.26	351.71	6.09	-125.17
CC1=COC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000391170	0	34	-2.0	-128.93	312.48	3.43	-125.50
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=NN1	REAL300000391171	0	40	-2.0	-127.42	368.25	2.56	-124.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=CC2=C1OCCO2	REAL300000391172	0	33	-2.0	-114.18	325.52	3.39	-110.79
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391173	0	40	-2.0	-127.48	352.29	4.70	-122.78
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)=CC=C21	REAL300000391174	1	41	-2.0	-138.32	361.61	6.53	-131.79
CN1N=CC(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1Cl	REAL300000391175	0	34	-2.0	-124.55	327.78	2.82	-121.73
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391176	0	40	-2.0	-145.22	345.72	6.59	-138.63
N#CC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)OC=C1	REAL300000391177	0	32	-2.0	-130.32	309.73	3.23	-127.09
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391178	0	36	-2.0	-121.27	335.63	4.15	-117.12
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000391179	0	44	-2.0	-131.40	384.72	5.56	-125.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC2=C1OCCO2	REAL300000391182	0	31	-2.0	-126.38	306.66	3.27	-123.11
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CC2=C1OCCO2	REAL300000391183	0	31	-2.0	-124.01	316.70	4.28	-119.73
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391184	0	42	-2.0	-123.25	360.18	2.51	-120.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=CC2=C1OCCO2	REAL300000391185	1	41	-2.0	-137.22	351.44	6.94	-130.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C)=N1	REAL300000391187	1	40	-2.0	-123.67	350.32	2.23	-121.44
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391188	0	40	-2.0	-135.35	355.30	2.58	-132.77
COC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C	REAL300000391189	1	40	-2.0	-124.29	355.20	2.17	-122.12
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000391190	0	43	-2.0	-126.91	370.84	4.91	-122.00
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391191	0	43	-2.0	-128.40	371.49	4.49	-123.91
N#CC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=CO1	REAL300000391192	0	32	-2.0	-129.00	310.85	3.16	-125.84
N#CC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)SC=C1	REAL300000391193	0	32	-2.0	-135.57	318.42	4.09	-131.48
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391194	0	40	-2.0	-125.46	350.79	3.95	-121.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CC2=C1OCCO2	REAL300000391195	0	41	-2.0	-122.96	360.10	4.88	-118.08
CC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=NN1C(C)C	REAL300000391197	0	43	-2.0	-129.91	372.37	4.50	-125.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=CC2=C1OCCO2	REAL300000391198	0	36	-2.0	-130.32	337.13	3.87	-126.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC2=C1OCCO2	REAL300000391200	1	35	-2.0	-131.66	318.91	1.92	-129.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC2=C1OCCO2	REAL300000391201	0	30	-2.0	-119.89	293.54	2.36	-117.53
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000391202	0	39	-2.0	-139.11	348.68	4.34	-134.77
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000391203	0	39	-3.0	-192.86	358.48	5.31	-187.55
CCC1=C(S(=O)(=O)NC2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000391203	1	40	-2.0	-128.49	363.21	5.18	-123.31
CC1=C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000391204	0	34	-2.0	-124.43	333.14	5.16	-119.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC2=C1OCCO2	REAL300000391205	0	30	-2.0	-125.02	294.48	1.88	-123.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=CC2=C1OCCO2	REAL300000391206	0	41	-2.0	-131.04	353.61	4.08	-126.96
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000391207	0	37	-2.0	-136.85	334.81	5.49	-131.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC3CCCC3)C=C2)C=C1	REAL300000391208	1	44	-2.0	-90.63	386.13	8.60	-82.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)OC3CCCC3)C=C2)=C1	REAL300000391209	1	44	-2.0	-102.54	386.15	8.59	-93.95
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)OC3CCCC3)C=C2)=C1	REAL300000391210	0	41	-2.0	-98.42	379.34	7.62	-90.80
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000391211	0	45	-2.0	-101.03	392.80	7.95	-93.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)OC3CCCC3)C=C2)=CS1	REAL300000391212	0	41	-2.0	-98.41	377.80	7.63	-90.78
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC3CCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000391213	0	44	-2.0	-96.93	389.16	7.75	-89.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC3CCCC3)C=C2)S1	REAL300000391214	0	41	-2.0	-92.18	378.42	7.72	-84.46
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)OC3CCCC3)C=C2)=C1	REAL300000391215	0	43	-2.0	-99.95	382.36	6.73	-93.22
COC1=CC(C)=NC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000391243	0	38	-2.0	-110.31	362.49	3.67	-106.64
COC1=CC(C)=NC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000391266	0	36	-2.0	-106.48	333.19	2.14	-104.34
COC1=CC(C)=NC(N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000391274	1	35	-2.0	-98.17	342.31	3.52	-94.65
COC1=CC(C)=NC(N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000391287	0	40	-2.0	-101.80	373.81	5.46	-96.34
COC1=CC(C)=NC(N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000391289	1	37	-2.0	-116.60	354.27	5.27	-111.33
COC1=CC(C)=NC(N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000391295	0	32	-2.0	-97.01	330.69	2.38	-94.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=CC=C1F	REAL300000391299	1	37	-2.0	-108.98	348.76	8.12	-100.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C=C1	REAL300000391300	1	37	-2.0	-99.83	344.19	8.10	-91.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1	REAL300000391301	1	37	-2.0	-113.40	344.22	8.09	-105.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=NC=N2)=C1	REAL300000391302	0	41	-2.0	-119.23	372.36	7.89	-111.34
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C=C1	REAL300000391303	1	41	-2.0	-99.37	375.67	9.39	-89.98
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1	REAL300000391305	0	37	-2.0	-108.99	357.29	8.67	-100.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=CC=C1Cl	REAL300000391306	1	37	-2.0	-107.41	356.74	8.49	-98.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1C	REAL300000391307	1	43	-2.0	-119.37	376.90	9.44	-109.93
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1	REAL300000391308	0	37	-2.0	-110.60	349.70	8.16	-102.44
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C=C1	REAL300000391309	1	43	-2.0	-98.90	387.78	9.68	-89.22
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1	REAL300000391310	0	34	-2.0	-107.36	337.40	7.12	-100.24
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=NC=N2)=C1	REAL300000391311	1	40	-2.0	-114.80	359.65	8.88	-105.92
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C=C1C(=O)[O-]	REAL300000391313	1	38	-2.0	-111.52	350.87	7.44	-104.08
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1	REAL300000391315	0	37	-2.0	-108.41	353.33	7.77	-100.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=CS1	REAL300000391317	0	34	-2.0	-108.84	335.87	7.13	-101.71
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=NC=N2)=C1	REAL300000391319	1	43	-2.0	-113.28	374.37	9.81	-103.47
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1	REAL300000391320	1	44	-2.0	-119.11	388.46	9.99	-109.12
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000391321	0	37	-2.0	-107.24	347.22	7.23	-100.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1	REAL300000391322	0	41	-2.0	-112.55	373.20	7.18	-105.37
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=NC=N2)=C1	REAL300000391323	1	40	-2.0	-107.78	364.93	8.91	-98.87
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C=C(C(=O)[O-])S1	REAL300000391324	1	37	-2.0	-111.02	352.82	7.98	-103.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C(Cl)=C1	REAL300000391325	0	37	-2.0	-97.19	357.27	8.66	-88.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C=C1F	REAL300000391326	1	37	-2.0	-99.42	348.75	8.13	-91.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)S1	REAL300000391327	0	34	-2.0	-106.98	336.49	7.21	-99.77
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1	REAL300000391328	1	37	-2.0	-103.99	350.63	8.16	-95.83
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1F	REAL300000391329	0	40	-2.0	-112.08	369.97	8.80	-103.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C(F)=C1	REAL300000391330	0	37	-2.0	-98.97	349.68	8.17	-90.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C=C1Cl	REAL300000391331	1	37	-2.0	-97.45	356.72	8.50	-88.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=CC(F)=C1F	REAL300000391332	1	37	-2.0	-100.63	355.04	8.19	-92.44
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1	REAL300000391333	0	38	-2.0	-113.77	353.94	5.81	-107.96
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(CN3C=NC=N3)=C2)=C1	REAL300000391333	1	38	-2.0	-111.28	353.02	6.68	-104.60
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C=C1	REAL300000391334	1	40	-2.0	-103.87	366.38	8.88	-94.99
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=NC=N2)=C1	REAL300000391335	1	40	-2.0	-107.43	354.28	8.73	-98.70
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=CC(C(=O)[O-])=C1F	REAL300000391336	1	40	-2.0	-110.34	369.05	8.75	-101.59
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1	REAL300000391339	0	37	-2.0	-101.84	355.97	8.22	-93.62
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C=C1C(=O)[O-]	REAL300000391341	0	40	-2.0	-116.73	369.54	8.78	-107.95
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1	REAL300000391342	0	40	-2.0	-124.44	369.25	8.79	-115.65
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C=C1C(=O)[O-]	REAL300000391343	1	43	-2.0	-115.37	378.15	9.28	-106.09
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C=C1C(=O)[O-]	REAL300000391344	0	41	-2.0	-112.77	372.24	8.31	-104.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1F	REAL300000391347	0	37	-2.0	-115.01	347.84	8.12	-106.89
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C=C1C(=O)[O-]	REAL300000391348	1	40	-2.0	-104.39	369.16	8.77	-95.62
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C1	REAL300000391349	0	36	-2.0	-114.85	341.20	6.15	-108.70
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CN2C=NC=N2)=C1	REAL300000391350	0	41	-2.0	-109.13	372.41	7.90	-101.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)=C(Cl)O1	REAL300000391351	0	34	-2.0	-100.59	344.36	7.08	-93.51
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CN4C=NC=N4)=C3)C=C2)CC1	REAL300000391352	1	44	-2.0	-107.25	390.34	9.97	-97.28
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CN4C=NC=N4)=C3)C=C2C1	REAL300000391353	1	44	-2.0	-109.91	389.66	9.98	-99.93
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CN3C=NC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000391354	0	40	-2.0	-107.32	366.35	8.08	-99.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=CC=C1F	REAL300000391355	1	37	-2.0	-103.80	345.00	4.42	-99.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1	REAL300000391356	1	37	-2.0	-94.01	340.45	4.40	-89.61
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1	REAL300000391357	1	37	-2.0	-106.01	340.47	4.39	-101.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=C(C3CC3)OC2=C1	REAL300000391358	0	41	-2.0	-110.94	368.61	4.19	-106.75
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1	REAL300000391359	1	41	-2.0	-93.74	371.92	5.69	-88.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1C(=O)[O-]	REAL300000391360	1	40	-2.0	-107.02	356.49	4.93	-102.09
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1	REAL300000391361	0	37	-2.0	-101.52	353.54	4.97	-96.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=CC=C1Cl	REAL300000391362	1	37	-2.0	-102.00	352.97	4.79	-97.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1C	REAL300000391363	1	43	-2.0	-108.41	372.87	5.70	-102.71
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1	REAL300000391364	0	37	-2.0	-102.82	345.95	4.46	-98.36
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1	REAL300000391365	1	43	-2.0	-92.90	384.03	5.98	-86.92
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1	REAL300000391366	0	34	-2.0	-100.38	333.66	3.42	-96.96
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=C(C3CC3)OC2=C1	REAL300000391367	1	40	-2.0	-106.68	355.90	5.18	-101.50
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1	REAL300000391368	1	41	-2.0	-92.47	371.54	4.68	-87.79
CN1C=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1C(=O)[O-]	REAL300000391369	0	38	-2.0	-104.48	347.11	3.75	-100.73
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=C(C3CC3)OC2=C1	REAL300000391370	1	41	-2.0	-107.17	364.68	3.21	-103.96
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1	REAL300000391371	0	37	-2.0	-96.64	349.59	4.08	-92.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1C(=O)[O-]	REAL300000391372	1	43	-2.0	-107.76	371.93	5.72	-102.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=CS1	REAL300000391373	0	34	-2.0	-101.87	332.12	3.43	-98.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1C(=O)[O-]	REAL300000391374	1	41	-2.0	-111.86	367.75	4.46	-107.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=C(C3CC3)OC2=C1	REAL300000391375	1	43	-2.0	-105.20	370.62	6.13	-99.07
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1	REAL300000391376	1	44	-2.0	-110.46	384.72	6.29	-104.17
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C(C(=O)[O-])O1	REAL300000391377	0	37	-2.0	-99.92	343.48	3.54	-96.38
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1	REAL300000391378	0	41	-2.0	-107.40	369.46	3.48	-103.92
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=C(C3CC3)OC2=C1	REAL300000391379	1	40	-2.0	-97.44	361.18	5.21	-92.23
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C(C(=O)[O-])S1	REAL300000391380	0	37	-2.0	-103.08	350.16	4.28	-98.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C(Cl)=C1	REAL300000391381	0	37	-2.0	-91.84	353.52	4.95	-86.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1F	REAL300000391382	1	37	-2.0	-93.71	345.01	4.43	-89.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)S1	REAL300000391383	0	34	-2.0	-95.55	332.74	3.52	-92.03
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1	REAL300000391384	0	37	-2.0	-97.04	346.88	4.46	-92.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1F	REAL300000391385	0	40	-2.0	-104.12	366.23	5.10	-99.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C(F)=C1	REAL300000391386	0	37	-2.0	-93.32	345.93	4.47	-88.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1Cl	REAL300000391387	1	37	-2.0	-91.64	352.97	4.80	-86.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=CC(F)=C1F	REAL300000391388	1	37	-2.0	-95.52	351.29	4.49	-91.03
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1	REAL300000391389	0	38	-2.0	-105.49	350.19	2.11	-103.38
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3N=C(C4CC4)OC3=C2)=C1	REAL300000391389	1	38	-2.0	-106.98	349.40	2.90	-104.08
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1	REAL300000391390	1	40	-2.0	-97.07	362.64	5.18	-91.89
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2N=C(C3CC3)OC2=C1	REAL300000391391	1	40	-2.0	-102.83	350.54	5.03	-97.80
CC1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=CC(C(=O)[O-])=C1F	REAL300000391392	1	40	-2.0	-104.94	365.30	5.05	-99.89
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2N=C(C3CC3)OC2=C1	REAL300000391393	1	40	-2.0	-94.28	355.88	5.17	-89.11
CC1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=CC(C(=O)[O-])=C1C	REAL300000391394	1	43	-2.0	-110.15	377.97	5.59	-104.56
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1	REAL300000391395	0	37	-2.0	-94.70	352.23	4.52	-90.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C(C)=C1C(=O)[O-]	REAL300000391396	1	43	-2.0	-106.79	374.95	5.78	-101.01
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1C(=O)[O-]	REAL300000391397	0	40	-2.0	-103.78	361.95	4.99	-98.79
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1	REAL300000391398	0	40	-2.0	-111.09	365.51	5.09	-106.00
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1C(=O)[O-]	REAL300000391399	1	43	-2.0	-107.64	374.70	5.58	-102.06
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1C(=O)[O-]	REAL300000391400	0	41	-2.0	-105.68	368.42	4.60	-101.08
CC1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=CC=C1C(=O)[O-]	REAL300000391401	1	40	-2.0	-94.08	356.48	4.94	-89.14
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=C(C3CC3)OC2=C1	REAL300000391402	1	40	-2.0	-104.29	360.42	5.22	-99.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1F	REAL300000391403	0	37	-2.0	-110.55	344.13	4.43	-106.12
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C1C(=O)[O-]	REAL300000391404	1	40	-2.0	-98.75	365.41	5.07	-93.68
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C1	REAL300000391405	0	36	-2.0	-103.43	336.69	2.52	-100.91
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2N=C(C3CC3)OC2=C1	REAL300000391406	0	41	-2.0	-98.01	368.67	4.19	-93.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)=C(Cl)O1	REAL300000391407	0	34	-2.0	-93.97	340.62	3.37	-90.60
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4N=C(C5CC5)OC4=C3)C=C2)CC1	REAL300000391408	1	44	-2.0	-100.24	386.60	6.28	-93.96
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4N=C(C5CC5)OC4=C3)C=C2C1	REAL300000391409	1	44	-2.0	-103.97	385.91	6.28	-97.69
CCC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4CC4)OC3=C2)C=C(C(=O)[O-])O1	REAL300000391410	0	40	-2.0	-99.77	362.60	4.39	-95.38
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C2=NC(C3CC3)=NO2)=C1	REAL300000391411	0	43	-2.0	-99.79	388.37	6.68	-93.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C2=NC(C3CC3)=NO2)=C1	REAL300000391412	0	43	-2.0	-111.98	388.38	6.67	-105.31
CCCCC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000391436	0	46	-2.0	-109.49	404.55	10.09	-99.40
CCCCC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000391456	0	44	-2.0	-111.13	369.05	8.02	-103.11
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000391487	1	37	-2.0	-101.99	341.01	6.23	-95.76
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000391489	1	37	-2.0	-104.35	336.47	6.20	-98.15
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1C	REAL300000391490	0	41	-2.0	-109.56	364.60	6.00	-103.56
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1C	REAL300000391491	1	41	-2.0	-91.97	367.92	7.49	-84.48
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1C	REAL300000391493	0	37	-2.0	-99.94	349.55	6.77	-93.17
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000391494	1	37	-2.0	-100.31	348.99	6.59	-93.72
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1C	REAL300000391495	1	43	-2.0	-107.32	369.14	7.54	-99.78
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C	REAL300000391496	0	37	-2.0	-101.37	341.96	6.26	-95.11
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C	REAL300000391497	1	43	-2.0	-91.10	380.04	7.79	-83.31
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C	REAL300000391498	0	34	-2.0	-98.83	329.65	5.21	-93.62
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1C	REAL300000391499	1	40	-2.0	-105.15	351.89	6.98	-98.17
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000391501	1	38	-2.0	-102.83	343.11	5.56	-97.27
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1C	REAL300000391503	0	37	-2.0	-94.97	345.60	5.88	-89.09
COC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C	REAL300000391505	0	34	-2.0	-100.28	328.13	5.23	-95.05
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1C	REAL300000391507	1	46	-2.0	-107.28	390.37	8.21	-99.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)OC)=C1	REAL300000391508	1	43	-2.0	-103.54	366.63	7.92	-95.62
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=CC=C1C	REAL300000391509	0	44	-2.0	-110.21	386.89	6.76	-103.45
COC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000391510	0	40	-2.0	-108.67	367.59	6.73	-101.94
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000391510	1	39	-3.0	-179.02	364.88	6.76	-172.26
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1C	REAL300000391511	1	44	-2.0	-109.27	380.73	8.09	-101.18
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1C	REAL300000391512	0	37	-2.0	-98.41	339.49	5.33	-93.08
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1C	REAL300000391513	0	41	-2.0	-105.54	365.47	5.29	-100.25
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C	REAL300000391515	1	40	-2.0	-95.97	357.17	7.01	-88.96
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1C	REAL300000391516	1	41	-2.0	-90.23	373.76	6.55	-83.68
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1C	REAL300000391518	1	37	-2.0	-101.72	345.06	6.09	-95.63
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C	REAL300000391519	0	37	-2.0	-89.90	349.53	6.76	-83.14
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C	REAL300000391520	1	37	-2.0	-91.83	341.00	6.24	-85.59
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C	REAL300000391521	0	34	-2.0	-93.83	328.75	5.33	-88.50
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000391522	1	37	-2.0	-95.32	342.88	6.27	-89.05
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1C	REAL300000391523	0	40	-2.0	-102.76	362.24	6.90	-95.86
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C	REAL300000391524	0	37	-2.0	-91.65	341.94	6.27	-85.38
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C	REAL300000391525	1	37	-2.0	-89.87	348.97	6.60	-83.27
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1C	REAL300000391526	1	40	-2.0	-97.57	365.91	7.40	-90.17
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000391527	1	37	-2.0	-93.72	347.29	6.29	-87.43
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C	REAL300000391528	1	39	-2.0	-89.62	364.67	6.87	-82.75
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C	REAL300000391529	0	38	-2.0	-104.00	346.19	3.91	-100.09
COC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C	REAL300000391529	1	38	-2.0	-102.01	335.20	4.80	-97.21
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C	REAL300000391530	1	40	-2.0	-95.41	358.64	6.98	-88.43
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C	REAL300000391531	1	40	-2.0	-100.77	346.62	6.84	-93.93
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000391532	1	40	-2.0	-103.32	361.31	6.85	-96.47
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1C	REAL300000391535	0	39	-2.0	-103.08	363.04	7.30	-95.78
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1C	REAL300000391536	0	37	-2.0	-93.21	348.24	6.33	-86.88
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1C	REAL300000391538	0	40	-2.0	-103.79	362.07	6.90	-96.89
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1C	REAL300000391539	0	40	-2.0	-101.71	368.25	7.34	-94.37
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1C	REAL300000391540	0	40	-2.0	-109.34	361.49	6.89	-102.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000391541	1	43	-2.0	-106.24	370.72	7.39	-98.85
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1C	REAL300000391543	1	40	-2.0	-95.08	367.21	7.45	-87.63
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000391544	1	40	-2.0	-101.97	367.70	7.16	-94.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000391545	1	41	-2.0	-104.06	364.50	6.42	-97.64
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000391546	1	40	-2.0	-98.94	370.38	7.27	-91.67
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1C	REAL300000391549	0	39	-2.0	-111.59	360.19	8.06	-103.53
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C	REAL300000391550	0	37	-2.0	-108.49	340.12	6.23	-102.26
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000391551	1	40	-2.0	-97.22	361.71	6.89	-90.33
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C	REAL300000391552	1	43	-2.0	-112.57	377.53	8.32	-104.25
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C	REAL300000391553	0	36	-2.0	-101.36	333.44	4.25	-97.11
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1C	REAL300000391554	0	41	-2.0	-96.30	364.68	5.99	-90.31
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1C	REAL300000391555	0	34	-2.0	-92.49	336.61	5.17	-87.32
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C	REAL300000391556	1	44	-2.0	-98.63	382.60	8.09	-90.54
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C	REAL300000391557	1	44	-2.0	-102.19	381.92	8.09	-94.10
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000391558	0	40	-2.0	-98.19	358.61	6.18	-92.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)=CC=C1F	REAL300000391559	1	40	-2.0	-111.95	378.57	10.28	-101.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)C=C1	REAL300000391560	1	40	-2.0	-101.86	374.07	10.26	-91.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)=C1	REAL300000391561	0	40	-2.0	-116.51	374.10	10.25	-106.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000391562	1	43	-2.0	-116.94	390.13	10.78	-106.16
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)=C1	REAL300000391563	0	40	-2.0	-112.17	379.55	10.31	-101.86
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)=C1	REAL300000391564	0	37	-2.0	-108.91	367.28	9.26	-99.65
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C#CC1=CC=CC=C1	REAL300000391565	1	43	-2.0	-114.89	389.53	11.03	-103.86
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000391566	0	41	-2.0	-114.32	380.72	9.60	-104.72
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)=C1	REAL300000391567	0	40	-2.0	-105.93	383.15	9.94	-95.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)=CS1	REAL300000391568	0	37	-2.0	-110.82	365.73	9.28	-101.54
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000391569	0	40	-2.0	-107.81	377.06	9.39	-98.42
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300000391570	0	40	-2.0	-111.27	382.69	10.14	-101.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)C=C1F	REAL300000391571	0	40	-2.0	-101.99	378.57	10.29	-91.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)S1	REAL300000391572	0	37	-2.0	-103.53	366.35	9.38	-94.15
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)=C1	REAL300000391573	0	40	-2.0	-107.20	380.53	10.32	-96.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)C(F)=C1	REAL300000391574	0	40	-2.0	-102.30	379.56	10.32	-91.98
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)=C1	REAL300000391575	0	41	-2.0	-113.67	383.75	7.96	-105.71
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)C=C1	REAL300000391576	0	43	-2.0	-105.92	396.26	11.04	-94.88
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C#CC1=CC=CC=C1	REAL300000391577	1	43	-2.0	-111.70	384.11	10.89	-100.81
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C#CC1=CC=CC=C1	REAL300000391578	1	43	-2.0	-101.76	389.48	11.02	-90.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000391579	0	44	-2.0	-114.90	402.10	10.46	-104.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000391580	1	43	-2.0	-103.29	394.14	10.90	-92.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)=C1F	REAL300000391581	0	40	-2.0	-120.48	377.70	10.28	-110.20
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)=C1	REAL300000391582	0	39	-2.0	-114.83	370.27	8.37	-106.46
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C#CC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000391583	0	43	-2.0	-106.92	396.18	10.24	-96.68
CC1=C(COC2=CC=CC=C2)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000391585	1	45	-2.0	-108.77	391.62	9.06	-99.71
CC1=C(COC2=CC=CC=C2)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000391586	0	44	-2.0	-106.43	388.60	7.12	-99.31
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C1CC1	REAL300000391587	0	45	-2.0	-100.64	401.20	5.18	-95.46
CCN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391588	0	38	-2.0	-117.77	349.27	6.62	-111.15
CCN1N=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1C1CC1	REAL300000391589	0	46	-2.0	-119.20	404.37	7.71	-111.49
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C1CC1	REAL300000391590	0	38	-2.0	-107.26	344.72	6.60	-100.66
CCN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391591	0	38	-2.0	-120.91	344.73	6.59	-114.32
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1C1CC1	REAL300000391592	0	42	-2.0	-126.70	372.90	6.40	-120.30
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C1CC1	REAL300000391593	0	42	-2.0	-106.82	376.19	7.89	-98.93
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391594	0	41	-2.0	-123.30	364.81	7.24	-116.06
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C1CC1	REAL300000391595	0	38	-2.0	-116.23	357.83	7.15	-109.08
CCN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391596	0	38	-2.0	-116.42	357.25	6.98	-109.44
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C1CC1	REAL300000391597	0	44	-2.0	-123.46	377.86	7.92	-115.54
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C1CC1	REAL300000391598	0	38	-2.0	-118.22	350.24	6.66	-111.56
CCN1N=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C1CC1	REAL300000391599	0	44	-2.0	-106.28	388.31	8.18	-98.10
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C1CC1	REAL300000391600	0	35	-2.0	-114.42	337.94	5.62	-108.80
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C1CC1	REAL300000391601	0	41	-2.0	-121.53	360.20	7.36	-114.17
CCN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C1CC1	REAL300000391602	0	42	-2.0	-105.58	375.81	6.88	-98.70
CCN1N=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391603	0	39	-2.0	-119.18	351.39	5.94	-113.24
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1C1CC1	REAL300000391604	0	42	-2.0	-122.11	368.55	5.43	-116.68
CCN1N=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C1CC1	REAL300000391605	0	38	-2.0	-110.41	353.88	6.28	-104.13
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1C1CC1	REAL300000391606	0	44	-2.0	-122.92	376.20	7.90	-115.02
CCN1N=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391607	0	35	-2.0	-115.98	336.37	5.62	-110.36
CCN1N=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391608	0	46	-2.0	-120.92	403.05	6.40	-114.52
CCN1N=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391609	0	42	-2.0	-126.78	372.02	6.66	-120.12
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1C1CC1	REAL300000391610	0	48	-2.0	-125.83	400.00	9.22	-116.61
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1C1CC1	REAL300000391611	0	47	-2.0	-124.07	398.66	8.59	-115.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC)C(C2CC2)=C1	REAL300000391612	0	44	-2.0	-119.67	374.90	8.31	-111.36
CCN1N=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1C1CC1	REAL300000391613	0	45	-2.0	-126.69	395.18	7.16	-119.53
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391614	0	40	-3.0	-197.00	373.15	7.16	-189.84
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C1CC1	REAL300000391615	0	45	-2.0	-126.20	389.00	8.48	-117.72
CCN1N=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391616	0	38	-2.0	-113.77	347.76	5.74	-108.03
CCN1N=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391617	0	44	-2.0	-125.65	386.89	6.36	-119.29
CCN1N=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C1CC1	REAL300000391618	0	42	-2.0	-121.80	373.74	5.69	-116.11
CCN1N=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1C1CC1	REAL300000391619	0	46	-2.0	-107.28	398.36	7.20	-100.08
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C1CC1	REAL300000391620	0	38	-2.0	-112.35	362.35	7.17	-105.18
CCN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1C1CC1	REAL300000391621	0	42	-2.0	-103.80	391.84	7.42	-96.38
CCN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1C1CC1	REAL300000391622	0	45	-2.0	-106.09	395.89	7.58	-98.51
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C1CC1	REAL300000391623	0	41	-2.0	-111.56	365.47	7.41	-104.15
CCN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C1CC1	REAL300000391624	0	42	-2.0	-104.67	382.04	6.94	-97.73
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CC)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000391625	0	45	-2.0	-127.18	393.87	7.57	-119.61
CCN1N=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391626	0	38	-2.0	-117.58	353.38	6.48	-111.10
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C1CC1	REAL300000391627	0	38	-2.0	-104.79	357.81	7.14	-97.65
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C1CC1	REAL300000391628	0	38	-2.0	-106.51	349.27	6.63	-99.88
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C1CC1	REAL300000391629	0	35	-2.0	-109.13	337.01	5.72	-103.41
CCN1N=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391630	0	38	-2.0	-111.07	351.13	6.66	-104.41
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C1CC1	REAL300000391631	0	41	-2.0	-119.76	370.50	7.29	-112.47
CCN1N=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1C1CC1	REAL300000391632	0	42	-2.0	-109.33	385.07	7.21	-102.12
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C1CC1	REAL300000391633	0	38	-2.0	-106.93	350.22	6.66	-100.27
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C1CC1	REAL300000391634	0	38	-2.0	-104.72	357.24	6.99	-97.73
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C1CC1	REAL300000391635	0	41	-2.0	-113.35	374.20	7.78	-105.57
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C1CC1	REAL300000391636	0	46	-2.0	-103.44	408.47	8.00	-95.44
CCN1N=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391637	0	38	-2.0	-108.89	355.54	6.68	-102.21
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C1CC1	REAL300000391638	0	40	-2.0	-104.99	372.91	7.26	-97.73
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C1CC1	REAL300000391639	0	39	-2.0	-120.39	354.47	4.32	-116.07
CCN1N=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C1CC1	REAL300000391640	0	41	-2.0	-111.41	366.91	7.38	-104.03
CCN1N=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391641	0	38	-2.0	-110.47	365.43	7.12	-103.35
CCN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C1CC1	REAL300000391642	0	41	-2.0	-116.70	354.83	7.22	-109.48
CCN1N=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391643	0	41	-2.0	-119.31	369.57	7.24	-112.07
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1C1CC1	REAL300000391644	0	41	-2.0	-107.31	360.17	7.35	-99.96
CCN1N=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391645	0	44	-2.0	-125.40	381.54	7.76	-117.64
CCN1N=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391646	0	40	-2.0	-117.78	371.29	7.69	-110.09
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C1CC1	REAL300000391647	0	38	-2.0	-109.42	356.49	6.72	-102.70
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C1CC1	REAL300000391648	0	44	-2.0	-120.90	379.24	7.97	-112.93
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C1CC1	REAL300000391649	0	41	-2.0	-119.50	366.23	7.19	-112.31
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C1CC1	REAL300000391650	0	41	-2.0	-118.05	376.54	7.72	-110.33
CCN1N=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C1CC1	REAL300000391651	0	41	-2.0	-125.84	369.79	7.28	-118.56
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000391652	0	44	-2.0	-123.03	378.97	7.78	-115.25
CCN1N=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=C1C1CC1	REAL300000391653	0	45	-2.0	-122.39	395.20	6.72	-115.67
CCN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C1CC1	REAL300000391654	0	41	-2.0	-109.69	371.02	7.78	-101.91
CCN1N=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391655	0	41	-2.0	-118.33	375.96	7.55	-110.78
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000391656	0	42	-2.0	-120.48	372.75	6.81	-113.67
CCN1N=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=C1C1CC1	REAL300000391657	0	50	-2.0	-121.49	409.89	9.47	-112.02
CCN1N=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391658	0	41	-2.0	-114.04	374.59	7.56	-106.48
CCN1N=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391659	0	47	-2.0	-117.09	394.19	8.68	-108.41
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1C1CC1	REAL300000391660	0	42	-2.0	-121.76	385.08	7.21	-114.55
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C1CC1	REAL300000391661	0	41	-2.0	-107.55	360.75	7.14	-100.41
CCN1N=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C1CC1	REAL300000391662	0	43	-2.0	-113.32	388.02	8.78	-104.54
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1C1CC1	REAL300000391663	0	41	-2.0	-118.33	364.72	7.40	-110.93
CCN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C1CC1	REAL300000391664	0	40	-2.0	-128.06	368.49	8.45	-119.61
CCN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C1CC1	REAL300000391665	0	38	-2.0	-125.05	348.42	6.63	-118.42
CCN1N=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391666	0	41	-2.0	-112.23	365.89	7.16	-105.07
CCN1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391667	0	44	-2.0	-129.29	385.78	8.71	-120.58
CCN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C1CC1	REAL300000391668	0	37	-2.0	-118.49	340.98	4.72	-113.77
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1C1CC1	REAL300000391669	0	42	-2.0	-112.11	372.96	6.40	-105.71
CCN1N=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C1CC1	REAL300000391670	0	35	-2.0	-107.42	344.86	5.56	-101.86
CCN1N=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C1CC1	REAL300000391671	0	45	-2.0	-114.35	390.88	8.48	-105.87
CCN1N=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C1CC1	REAL300000391672	0	45	-2.0	-118.41	390.17	8.48	-109.93
CCC1=C(S(=O)(=O)[N-]C2=NN(CC)C(C3CC3)=C2)C=C(C(=O)[O-])O1	REAL300000391673	0	41	-2.0	-113.52	366.88	6.59	-106.93
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000391674	1	44	-2.0	-106.29	381.43	6.87	-99.42
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000391676	1	44	-2.0	-108.93	376.90	6.84	-102.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(COC(C)(C)C)C=C1	REAL300000391677	0	48	-2.0	-114.70	405.04	6.64	-108.06
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000391678	1	48	-2.0	-96.25	408.34	8.14	-88.11
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000391680	0	44	-2.0	-104.72	389.97	7.41	-97.31
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000391681	1	44	-2.0	-104.67	389.40	7.23	-97.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(COC(C)(C)C)C=C2)=C1C	REAL300000391682	1	50	-2.0	-112.69	409.29	8.15	-104.54
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000391683	0	44	-2.0	-106.45	382.37	6.90	-99.55
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000391684	1	50	-2.0	-95.54	420.46	8.43	-87.11
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000391685	0	41	-2.0	-103.19	370.08	5.85	-97.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(COC(C)(C)C)C=C1	REAL300000391686	1	47	-2.0	-109.97	392.33	7.62	-102.35
CN1C=C(S(=O)(=O)[N-]C2=CC=C(COC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000391688	1	45	-2.0	-107.39	383.55	6.19	-101.20
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(COC(C)(C)C)C=C2)=C1	REAL300000391690	0	44	-2.0	-99.68	386.03	6.53	-93.15
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000391692	0	41	-2.0	-105.25	368.55	5.87	-99.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(COC(C)(C)C)C=C1	REAL300000391694	1	50	-2.0	-108.35	407.04	8.56	-99.79
CC1=C(S(=O)(=O)[N-]C2=CC=C(COC(C)(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000391695	0	44	-2.0	-102.74	379.90	5.98	-96.76
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(COC(C)(C)C)C=C2)=C1	REAL300000391696	0	48	-2.0	-110.03	405.86	5.93	-104.10
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(COC(C)(C)C)C=C1	REAL300000391697	1	47	-2.0	-100.40	397.60	7.66	-92.74
CC1=C(S(=O)(=O)[N-]C2=CC=C(COC(C)(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000391698	1	44	-2.0	-106.38	385.49	6.73	-99.65
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000391699	0	44	-2.0	-94.17	389.95	7.40	-86.77
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000391700	1	44	-2.0	-96.08	381.44	6.88	-89.20
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000391701	0	41	-2.0	-98.44	369.17	5.97	-92.47
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000391702	1	44	-2.0	-99.78	383.30	6.91	-92.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(COC(C)(C)C)C=C2)=C1F	REAL300000391703	0	47	-2.0	-108.33	402.66	7.54	-100.79
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000391704	0	44	-2.0	-96.11	382.36	6.91	-89.20
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000391705	1	44	-2.0	-94.12	389.40	7.24	-86.88
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000391706	1	44	-2.0	-98.41	387.71	6.93	-91.48
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000391707	0	45	-2.0	-109.02	386.61	4.55	-104.47
CC(C)(C)OCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000391707	1	45	-2.0	-105.39	385.80	5.34	-100.05
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000391708	1	47	-2.0	-100.27	399.06	7.63	-92.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(COC(C)(C)C)C=C1	REAL300000391709	1	47	-2.0	-106.75	390.71	7.58	-99.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C(COC(C)(C)C)C=C2)=CC(C(=O)[O-])=C1F	REAL300000391710	1	47	-2.0	-108.47	401.73	7.49	-100.98
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000391713	0	44	-2.0	-97.98	388.64	6.97	-91.01
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(COC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000391715	0	47	-2.0	-107.49	398.37	7.44	-100.05
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(COC(C)(C)C)C=C2)=C1	REAL300000391716	0	47	-2.0	-113.76	401.91	7.53	-106.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(COC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000391718	1	48	-2.0	-108.60	404.91	7.05	-101.55
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000391721	0	44	-2.0	-113.92	380.55	6.87	-107.05
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(COC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000391722	1	47	-2.0	-102.17	401.84	7.52	-94.65
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000391723	0	43	-2.0	-106.76	373.11	4.95	-101.81
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(COC(C)(C)C)C=C1	REAL300000391724	0	48	-2.0	-100.91	405.10	6.64	-94.27
CC(C)(C)OCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000391725	0	41	-2.0	-96.69	377.05	5.82	-90.87
CCC1=C(S(=O)(=O)[N-]C2=CC=C(COC(C)(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000391726	0	47	-2.0	-102.63	399.02	6.83	-95.80
CN1C(=O)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000391750	0	39	-2.0	-111.63	346.92	6.46	-105.17
CN1C(=O)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000391770	0	37	-2.0	-110.99	323.98	4.77	-106.22
CC1=CC=C2C(=C1)OC(C)CN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000391824	0	42	-2.0	-110.56	364.41	7.53	-103.03
CC1=CC=C2C(=C1)OC(C)CN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000391844	0	40	-2.0	-110.61	343.08	5.63	-104.98
CC1=CC=CC2=C1N(S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)CC2	REAL300000391905	0	38	-2.0	-111.51	329.66	7.95	-103.56
CC1=CC=CC2=C1N(S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])CC2	REAL300000391936	0	36	-2.0	-110.52	302.81	5.73	-104.79
CCC1=NOC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=N1	REAL300000391974	1	42	-2.0	-97.80	379.48	5.74	-92.06
CCC1=NOC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000391975	1	42	-2.0	-110.53	379.47	5.73	-104.80
CCC1=NOC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=N1	REAL300000391976	0	39	-2.0	-104.74	372.66	4.74	-100.00
CCC1=NOC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000391977	0	43	-2.0	-108.78	386.13	5.07	-103.71
CCC1=NOC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=N1	REAL300000391978	0	39	-2.0	-106.16	371.13	4.76	-101.40
CCC1=NOC(C2=CC=C(C)C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)=N1	REAL300000391979	0	42	-2.0	-105.20	382.48	4.86	-100.34
CCC1=NOC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=N1	REAL300000391980	0	39	-2.0	-99.67	371.73	4.86	-94.81
CCC1=NOC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=N1	REAL300000391981	0	41	-2.0	-108.36	375.69	3.85	-104.51
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000391982	0	41	-2.0	-91.50	365.44	2.62	-88.88
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000391983	0	34	-2.0	-108.14	313.50	4.07	-104.07
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CN=C1OC	REAL300000391984	0	42	-2.0	-109.17	368.59	5.03	-104.14
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000391985	0	34	-2.0	-98.28	308.96	4.04	-94.24
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000391986	0	34	-2.0	-110.79	308.97	4.03	-106.76
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CN=C1OC	REAL300000391987	0	38	-2.0	-116.38	337.11	3.73	-112.65
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000391988	0	38	-2.0	-97.59	340.43	5.33	-92.26
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000391989	0	37	-2.0	-112.03	324.99	4.57	-107.46
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000391990	0	34	-2.0	-106.30	322.05	4.59	-101.71
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000391991	0	34	-2.0	-106.62	321.48	4.43	-102.19
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000391992	0	34	-2.0	-102.04	334.54	4.97	-97.07
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000391993	0	40	-2.0	-113.87	341.37	5.30	-108.57
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000391994	0	34	-2.0	-108.22	314.43	4.10	-104.12
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000391995	0	40	-2.0	-96.86	352.53	5.63	-91.23
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000391996	0	31	-2.0	-105.18	302.16	3.09	-102.09
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000391997	0	37	-2.0	-111.82	324.40	4.78	-107.04
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000391998	0	38	-2.0	-96.29	340.05	4.32	-91.97
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000391999	0	35	-2.0	-109.20	315.62	3.42	-105.78
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000392000	0	38	-2.0	-112.13	333.17	2.82	-109.31
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000392001	0	34	-2.0	-101.37	318.08	3.75	-97.62
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000392002	0	40	-2.0	-113.08	340.43	5.31	-107.77
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000392003	0	31	-2.0	-106.39	300.62	3.09	-103.30
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC)=CC(C(=O)[O-])=C1OC	REAL300000392004	0	42	-2.0	-111.39	367.30	3.85	-107.54
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC)C=C1C(=O)[O-]	REAL300000392005	0	38	-2.0	-116.72	336.25	4.10	-112.62
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000392006	0	44	-2.0	-116.05	364.20	6.65	-109.40
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000392007	0	43	-2.0	-114.02	362.87	6.03	-107.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CN=C1OC	REAL300000392008	0	40	-2.0	-110.11	339.09	5.72	-104.39
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CN=C1OC	REAL300000392009	0	41	-2.0	-116.70	359.40	4.49	-112.21
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000392010	0	36	-3.0	-186.76	337.37	4.60	-182.16
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000392011	0	41	-2.0	-116.23	353.22	5.94	-110.29
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000392012	0	34	-2.0	-104.98	311.98	3.19	-101.79
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000392013	0	40	-2.0	-115.86	351.13	3.80	-112.06
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000392014	0	38	-2.0	-111.66	337.89	3.01	-108.65
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000392015	0	42	-2.0	-96.97	361.88	4.64	-92.33
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000392016	0	34	-2.0	-100.50	336.64	4.89	-95.61
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000392017	0	34	-2.0	-103.04	326.57	4.62	-98.42
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000392018	0	38	-2.0	-94.80	356.06	4.86	-89.94
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000392019	0	41	-2.0	-96.82	360.11	5.03	-91.79
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000392020	0	44	-2.0	-95.38	388.71	5.29	-90.09
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000392021	0	37	-2.0	-102.70	329.27	4.86	-97.84
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000392022	0	47	-2.0	-96.79	402.56	5.96	-90.83
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000392023	0	38	-2.0	-95.78	346.26	4.38	-91.40
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC)C=C1C(=O)[O-]	REAL300000392024	0	41	-2.0	-117.43	358.10	5.01	-112.42
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000392025	0	34	-2.0	-108.10	318.66	3.92	-104.18
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000392026	0	34	-2.0	-100.23	337.20	5.04	-95.19
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000392027	0	34	-2.0	-95.69	322.02	4.59	-91.10
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000392028	0	34	-2.0	-97.72	313.48	4.07	-93.65
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000392029	0	31	-2.0	-100.03	301.23	3.19	-96.84
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000392030	0	34	-2.0	-101.68	315.37	4.10	-97.58
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000392031	0	37	-2.0	-109.78	334.73	4.74	-105.04
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC)=C(Cl)C=C1C(=O)[O-]	REAL300000392032	0	38	-2.0	-100.42	349.28	4.64	-95.78
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000392033	0	34	-2.0	-97.73	314.44	4.10	-93.63
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000392034	0	34	-2.0	-95.82	321.46	4.44	-91.38
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000392035	0	37	-2.0	-104.40	338.00	5.24	-99.16
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000392036	0	42	-2.0	-94.17	372.72	5.45	-88.72
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000392037	0	34	-2.0	-99.71	319.79	4.13	-95.58
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000392038	0	36	-2.0	-95.85	337.16	4.70	-91.15
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000392039	0	34	-3.0	-207.92	315.11	2.52	-205.40
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000392040	0	37	-2.0	-102.00	331.13	4.82	-97.18
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000392041	0	34	-2.0	-101.22	329.67	4.57	-96.65
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000392042	0	37	-2.0	-106.71	319.01	4.64	-102.07
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000392043	0	37	-2.0	-109.68	333.80	4.69	-104.99
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000392044	0	37	-2.0	-98.52	324.38	4.78	-93.74
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000392045	0	40	-2.0	-114.10	341.84	5.10	-109.00
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000392046	0	36	-2.0	-108.91	335.52	5.13	-103.78
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000392047	0	34	-2.0	-99.88	320.70	4.16	-95.72
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000392048	0	40	-2.0	-110.92	343.45	5.39	-105.53
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000392049	0	37	-2.0	-110.58	334.29	4.72	-105.86
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000392050	0	37	-2.0	-108.25	340.73	5.16	-103.09
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000392051	0	37	-2.0	-115.53	334.00	4.72	-110.81
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC)C=C1C(=O)[O-]	REAL300000392052	0	40	-2.0	-112.89	342.91	5.22	-107.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC)C=C1CC(=O)[O-]	REAL300000392053	0	41	-2.0	-112.97	359.43	4.17	-108.80
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000392054	0	37	-2.0	-100.16	335.23	5.21	-94.95
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000392055	0	37	-2.0	-94.80	339.08	4.85	-89.95
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000392056	0	37	-2.0	-108.58	340.19	4.99	-103.59
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC)C=C1C(=O)[O-]	REAL300000392057	0	38	-2.0	-110.53	336.99	4.29	-106.24
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000392058	0	46	-2.0	-110.70	374.12	6.80	-103.90
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000392059	0	34	-2.0	-98.56	334.58	4.60	-93.96
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000392060	0	37	-2.0	-105.38	342.75	5.11	-100.27
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000392061	0	43	-2.0	-107.35	358.85	6.05	-101.30
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC)C=C1C(=O)[O-]	REAL300000392062	0	38	-2.0	-111.97	349.30	4.65	-107.32
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000392063	0	37	-2.0	-98.46	324.98	4.58	-93.88
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000392064	0	39	-2.0	-102.28	349.69	5.98	-96.30
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000392065	0	37	-2.0	-109.46	328.51	4.86	-104.60
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000392066	0	36	-2.0	-117.44	332.70	5.75	-111.69
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000392067	0	34	-2.0	-114.62	312.60	4.06	-110.56
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000392068	0	37	-2.0	-103.49	333.93	4.71	-98.78
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000392069	0	40	-2.0	-119.30	350.01	6.16	-113.14
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000392070	0	33	-2.0	-108.24	305.96	2.13	-106.11
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CN=C1OC	REAL300000392071	0	38	-2.0	-102.60	337.17	3.73	-98.87
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000392072	0	31	-2.0	-98.80	309.08	3.04	-95.76
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000392073	0	41	-2.0	-104.95	355.09	5.92	-99.03
COC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000392074	0	41	-2.0	-107.46	353.05	5.91	-101.55
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC)C=C(C(=O)[O-])O1	REAL300000392075	0	37	-2.0	-104.95	331.09	4.04	-100.91
CC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000392083	1	33	-2.0	-116.48	329.84	6.12	-110.36
CC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000392085	1	30	-2.0	-112.33	315.29	4.98	-107.35
CC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000392090	1	33	-2.0	-108.61	333.49	5.74	-102.87
CC(=O)C1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000392097	0	36	-2.0	-115.10	350.72	6.47	-108.63
CC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000392107	1	30	-2.0	-107.28	316.64	5.19	-102.09
CC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000392109	1	36	-2.0	-117.85	348.64	6.68	-111.17
CC(=O)C1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000392113	0	34	-2.0	-116.89	330.13	4.54	-112.35
CC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000392120	1	33	-2.0	-107.32	333.86	6.09	-101.23
CC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000392123	1	36	-2.0	-122.50	349.43	6.75	-115.75
CC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000392129	1	35	-2.0	-124.00	345.83	7.81	-116.19
CC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000392130	1	33	-2.0	-121.22	325.73	5.98	-115.24
CC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000392132	0	32	-2.0	-116.59	321.35	4.11	-112.48
CC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000392134	1	30	-2.0	-105.98	324.49	5.03	-100.95
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=C(Cl)C=CC=C32)=CC(C(=O)[O-])=C1	REAL300000392159	0	36	-2.0	-107.60	338.48	6.72	-100.88
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCOC3=C(Cl)C=CC=C32)=C1	REAL300000392175	0	34	-2.0	-103.36	320.09	4.94	-98.42
CC1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000392200	0	42	-2.0	-99.59	376.79	8.58	-91.01
CC1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000392201	0	42	-2.0	-113.61	376.78	8.58	-105.03
CC1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000392202	0	45	-2.0	-113.80	391.99	9.05	-104.75
CC1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000392203	0	39	-2.0	-107.50	369.97	7.60	-99.90
CC1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000392204	0	45	-2.0	-113.51	392.23	9.37	-104.14
CC1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000392205	0	43	-2.0	-111.49	383.42	7.93	-103.56
CC1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000392206	0	39	-2.0	-107.47	368.43	7.62	-99.85
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2OC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000392207	0	42	-2.0	-106.17	379.80	7.72	-98.45
CC1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000392208	0	39	-2.0	-101.23	369.04	7.71	-93.52
CC1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000392209	0	43	-2.0	-111.69	386.51	6.29	-105.40
CC1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000392210	0	45	-2.0	-103.56	398.97	9.36	-94.20
CC1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000392211	0	45	-2.0	-107.40	386.06	9.14	-98.26
CC1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000392212	0	45	-2.0	-103.98	390.99	9.32	-94.66
CC1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000392213	0	45	-2.0	-100.58	392.86	9.11	-91.47
CC1=CC=C(OC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000392214	0	41	-2.0	-110.04	373.75	6.64	-103.40
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CC=C1C(F)(F)F	REAL300000392215	1	34	-2.0	-98.79	323.12	6.64	-92.15
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1C(F)(F)F	REAL300000392216	1	34	-2.0	-89.15	318.56	6.62	-82.53
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1C(F)(F)F	REAL300000392217	1	34	-2.0	-101.07	318.58	6.61	-94.46
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)(F)F)=C1C	REAL300000392218	0	38	-2.0	-106.15	346.73	6.41	-99.74
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=CC=C1C(F)(F)F	REAL300000392219	1	38	-2.0	-88.78	350.03	7.90	-80.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)C=C1C(=O)[O-]	REAL300000392220	1	37	-2.0	-103.50	338.65	7.25	-96.25
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=CC=C1C(F)(F)F	REAL300000392221	0	34	-2.0	-96.65	331.66	7.18	-89.47
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CC=C1C(F)(F)F	REAL300000392222	1	34	-2.0	-97.10	331.09	7.00	-90.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)=C1C	REAL300000392223	1	40	-2.0	-103.69	351.69	7.94	-95.75
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CC=C1C(F)(F)F	REAL300000392224	0	34	-2.0	-98.13	324.06	6.67	-91.46
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=CC=C1C(F)(F)F	REAL300000392225	1	40	-2.0	-88.04	362.16	8.19	-79.85
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC=C1C(F)(F)F	REAL300000392226	0	31	-2.0	-95.62	311.78	5.62	-90.00
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)(F)F)=C1C	REAL300000392227	1	37	-2.0	-101.87	334.02	7.39	-94.48
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC=C1C(F)(F)F	REAL300000392229	0	35	-2.0	-99.61	325.23	5.95	-93.66
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)=C1	REAL300000392231	0	34	-2.0	-91.92	327.70	6.29	-85.63
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1C(F)(F)F	REAL300000392233	0	31	-2.0	-97.01	310.23	5.64	-91.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)(F)F)=C1C	REAL300000392235	1	40	-2.0	-100.28	348.21	8.33	-91.95
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=CC=C1C(F)(F)F	REAL300000392236	1	41	-2.0	-105.96	362.84	8.50	-97.46
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)C=C(C(=O)[O-])O1	REAL300000392237	0	34	-2.0	-95.44	321.59	5.74	-89.70
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)=C1	REAL300000392238	0	38	-2.0	-102.18	347.51	5.70	-96.48
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C(C(F)(F)F)=CC=C1	REAL300000392239	1	37	-2.0	-92.77	339.30	7.42	-85.35
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)C=C(C(=O)[O-])S1	REAL300000392240	1	34	-2.0	-98.40	328.29	6.49	-91.91
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=CC=C1C(F)(F)F	REAL300000392241	0	34	-2.0	-86.80	331.64	7.17	-79.63
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC=C1C(F)(F)F	REAL300000392242	1	34	-2.0	-88.81	323.10	6.65	-82.16
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC=C1C(F)(F)F	REAL300000392243	0	31	-2.0	-90.73	310.86	5.74	-84.99
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC=C1C(F)(F)F	REAL300000392244	1	34	-2.0	-92.18	325.00	6.67	-85.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)=C1F	REAL300000392245	0	37	-2.0	-99.56	344.33	7.30	-92.26
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC=C1C(F)(F)F	REAL300000392246	0	34	-2.0	-88.48	324.05	6.68	-81.80
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CC=C1C(F)(F)F	REAL300000392247	1	34	-2.0	-86.82	331.07	7.01	-79.81
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=CC=C1C(F)(F)F	REAL300000392248	1	34	-2.0	-90.60	329.41	6.70	-83.90
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CC=C1C(F)(F)F	REAL300000392249	0	35	-2.0	-100.76	328.30	4.31	-96.45
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC=C1C(F)(F)F	REAL300000392249	1	35	-2.0	-101.24	325.72	5.16	-96.08
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CC=C1C(F)(F)F	REAL300000392250	1	37	-2.0	-93.27	340.76	7.38	-85.89
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=CC=C1C(F)(F)F	REAL300000392251	1	37	-2.0	-97.37	328.62	7.25	-90.12
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)=CC(C(=O)[O-])=C1F	REAL300000392252	1	37	-2.0	-100.05	343.42	7.26	-92.79
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)=CC(C(=O)[O-])=C1C	REAL300000392254	1	40	-2.0	-103.95	352.05	7.69	-96.26
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CC=C1C(F)(F)F	REAL300000392255	0	34	-2.0	-90.10	330.32	6.74	-83.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)C=C1C(=O)[O-]	REAL300000392257	0	37	-2.0	-99.21	340.06	7.21	-92.00
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)=C1	REAL300000392258	0	37	-2.0	-105.92	343.62	7.30	-98.62
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)C=C1C(=O)[O-]	REAL300000392259	1	40	-2.0	-102.76	352.91	7.80	-94.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)C=C1C(=O)[O-]	REAL300000392260	0	38	-2.0	-100.83	346.53	6.82	-94.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)=CC=C1C(=O)[O-]	REAL300000392261	1	37	-2.0	-89.20	334.59	7.15	-82.05
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CC=C1C(F)(F)F	REAL300000392263	0	34	-2.0	-105.25	322.22	6.63	-98.62
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)C=C1C(=O)[O-]	REAL300000392264	1	37	-2.0	-92.89	339.76	7.18	-85.71
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1C(F)(F)F	REAL300000392265	0	33	-2.0	-98.13	315.58	4.67	-93.46
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(F)(F)F)=C1C	REAL300000392266	0	38	-2.0	-93.09	346.79	6.40	-86.69
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC=C1C(F)(F)F	REAL300000392267	0	31	-2.0	-89.36	318.69	5.58	-83.78
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=CC=C1C(F)(F)F	REAL300000392268	1	41	-2.0	-95.45	364.71	8.50	-86.95
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=CC=C1C(F)(F)F	REAL300000392269	1	41	-2.0	-98.19	362.67	8.48	-89.71
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)F)=C2C)C=C(C(=O)[O-])O1	REAL300000392270	0	37	-2.0	-95.20	340.71	6.59	-88.61
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000392271	1	39	-2.0	-114.89	349.68	5.56	-109.33
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2C1=O	REAL300000392272	1	39	-2.0	-104.75	345.10	5.55	-99.20
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2C1=O	REAL300000392273	1	39	-2.0	-116.66	344.99	5.55	-111.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCN(C)C(=O)C2=C1	REAL300000392274	0	43	-2.0	-120.93	373.16	5.36	-115.57
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2C1=O	REAL300000392275	1	43	-2.0	-103.86	376.57	6.84	-97.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000392276	1	42	-2.0	-119.35	365.06	6.20	-113.15
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2C1=O	REAL300000392277	0	39	-2.0	-111.14	358.08	6.13	-105.01
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000392278	1	39	-2.0	-113.25	357.66	5.92	-107.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)=C1C	REAL300000392279	1	45	-2.0	-118.17	377.69	6.91	-111.26
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2C1=O	REAL300000392280	0	39	-2.0	-113.06	350.49	5.62	-107.44
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2C1=O	REAL300000392281	1	45	-2.0	-102.86	388.68	7.13	-95.73
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2C1=O	REAL300000392282	0	36	-2.0	-110.94	338.19	4.57	-106.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCN(C)C(=O)C2=C1	REAL300000392283	1	42	-2.0	-115.99	360.44	6.34	-109.65
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2C1=O	REAL300000392284	1	43	-2.0	-102.61	376.19	5.83	-96.78
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000392285	0	40	-2.0	-115.18	351.63	4.90	-110.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)=C1	REAL300000392287	0	39	-2.0	-107.35	354.12	5.24	-102.11
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000392288	1	45	-2.0	-117.66	376.08	6.90	-110.76
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2C1=O	REAL300000392289	0	36	-2.0	-112.37	336.64	4.58	-107.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000392290	1	43	-2.0	-122.55	372.27	5.62	-116.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCN(C)C(=O)C2=C1	REAL300000392291	1	45	-2.0	-113.96	375.13	7.28	-106.68
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000392292	0	39	-2.0	-109.59	348.00	4.69	-104.90
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)=C1	REAL300000392293	0	43	-2.0	-119.01	374.10	4.63	-114.38
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCN(C)C(=O)C2=C1	REAL300000392294	1	42	-2.0	-106.85	365.72	6.38	-100.47
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000392295	0	39	-2.0	-112.68	353.59	5.44	-107.24
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2C1=O	REAL300000392296	0	39	-2.0	-102.24	358.17	6.10	-96.14
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2C1=O	REAL300000392297	1	39	-2.0	-104.11	349.66	5.57	-98.54
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2C1=O	REAL300000392298	0	36	-2.0	-106.08	337.26	4.68	-101.40
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2C1=O	REAL300000392299	1	39	-2.0	-107.90	351.55	5.60	-102.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)=C1F	REAL300000392300	0	42	-2.0	-114.92	370.86	6.24	-108.68
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2C1=O	REAL300000392301	0	39	-2.0	-104.45	350.58	5.61	-98.84
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2C1=O	REAL300000392302	1	39	-2.0	-102.21	357.63	5.93	-96.28
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000392303	1	39	-2.0	-106.32	355.96	5.62	-100.70
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2C1=O	REAL300000392304	0	40	-2.0	-114.46	354.71	3.25	-111.21
CN1CCC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2C1=O	REAL300000392304	1	40	-2.0	-112.78	343.71	4.15	-108.63
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2C1=O	REAL300000392305	1	42	-2.0	-107.25	367.28	6.33	-100.92
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CCN(C)C(=O)C2=C1	REAL300000392306	1	42	-2.0	-114.39	355.06	6.19	-108.20
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000392307	1	42	-2.0	-115.88	369.98	6.18	-109.70
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCN(C)C(=O)C2=C1	REAL300000392308	1	42	-2.0	-104.58	360.53	6.32	-98.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000392309	1	45	-2.0	-122.29	381.94	6.70	-115.59
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2C1=O	REAL300000392310	0	39	-2.0	-105.38	356.87	5.67	-99.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000392311	1	45	-2.0	-118.91	378.40	6.97	-111.94
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000392312	0	42	-2.0	-115.44	370.33	6.26	-109.18
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)=C1	REAL300000392313	0	42	-2.0	-123.54	370.05	6.25	-117.29
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000392314	1	45	-2.0	-118.59	378.93	6.74	-111.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000392315	0	43	-2.0	-117.21	373.15	5.74	-111.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000392316	1	42	-2.0	-104.56	361.00	6.10	-98.46
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCN(C)C(=O)C2=C1	REAL300000392317	1	42	-2.0	-113.61	364.55	6.40	-107.21
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2C1=O	REAL300000392318	0	39	-2.0	-122.80	348.67	5.60	-117.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000392319	1	42	-2.0	-110.21	370.08	6.21	-104.00
CN1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2C1=O	REAL300000392320	0	38	-2.0	-112.43	342.00	3.61	-108.82
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCN(C)C(=O)C2=C1	REAL300000392321	0	43	-2.0	-108.51	373.21	5.36	-103.15
CN1CCC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2C1=O	REAL300000392322	0	36	-2.0	-103.89	345.16	4.54	-99.35
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCN(C)C(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000392323	0	42	-2.0	-109.12	367.12	5.54	-103.58
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000392324	0	32	-2.0	-97.99	316.02	4.62	-93.37
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1OC	REAL300000392325	0	40	-2.0	-100.06	371.09	5.67	-94.39
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000392326	0	32	-2.0	-88.98	311.46	4.59	-84.39
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000392327	0	32	-2.0	-101.44	311.47	4.59	-96.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1OC	REAL300000392328	0	36	-2.0	-106.50	339.62	4.39	-102.11
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000392329	0	36	-2.0	-88.88	342.93	5.88	-83.00
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000392330	0	35	-2.0	-101.26	327.49	5.12	-96.14
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000392331	0	32	-2.0	-96.93	324.55	5.17	-91.76
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000392332	0	32	-2.0	-96.27	323.99	4.98	-91.29
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000392333	0	38	-2.0	-104.26	344.58	5.92	-98.34
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000392334	0	32	-2.0	-98.30	316.95	4.65	-93.65
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000392335	0	38	-2.0	-87.95	355.05	6.17	-81.78
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000392336	0	29	-2.0	-95.90	304.66	3.60	-92.30
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000392337	0	35	-2.0	-102.43	326.91	5.37	-97.06
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000392338	0	36	-2.0	-87.42	342.55	4.86	-82.56
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000392339	0	33	-2.0	-99.76	318.12	3.93	-95.83
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000392340	0	36	-2.0	-103.22	335.26	3.43	-99.79
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000392341	0	32	-2.0	-91.36	320.61	4.26	-87.10
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000392342	0	38	-2.0	-103.58	342.92	5.91	-97.67
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000392343	0	29	-2.0	-97.37	303.12	3.62	-93.75
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2OC)C=C1C(=O)[O-]	REAL300000392344	0	36	-2.0	-107.44	338.76	4.66	-102.78
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000392345	0	42	-2.0	-106.06	366.71	7.22	-98.84
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000392346	0	41	-2.0	-104.55	365.30	6.60	-97.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1OC	REAL300000392347	0	38	-2.0	-100.92	333.93	6.09	-94.83
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1OC	REAL300000392348	0	39	-2.0	-107.04	361.91	5.15	-101.89
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000392349	0	34	-3.0	-174.89	339.88	5.15	-169.74
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000392350	0	39	-2.0	-106.39	355.71	6.48	-99.91
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000392351	0	32	-2.0	-95.62	314.48	3.72	-91.90
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000392352	0	36	-2.0	-101.12	340.46	3.68	-97.44
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000392353	0	40	-2.0	-88.25	364.39	5.19	-83.06
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000392354	0	32	-2.0	-93.95	329.07	5.18	-88.77
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000392355	0	39	-2.0	-87.86	362.63	5.58	-82.28
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000392356	0	35	-2.0	-93.14	332.18	5.40	-87.74
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000392357	0	36	-2.0	-87.02	348.78	4.94	-82.08
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2OC)C=C1C(=O)[O-]	REAL300000392358	0	39	-2.0	-106.71	360.62	5.56	-101.15
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000392359	0	32	-2.0	-98.98	320.10	4.48	-94.50
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000392360	0	32	-2.0	-86.50	324.53	5.16	-81.34
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000392361	0	32	-2.0	-88.53	316.00	4.63	-83.90
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000392362	0	29	-2.0	-90.35	303.74	3.71	-86.64
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000392363	0	32	-2.0	-91.46	317.89	4.66	-86.80
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000392364	0	35	-2.0	-99.68	337.22	5.28	-94.40
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000392365	0	32	-2.0	-88.11	316.94	4.66	-83.45
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000392366	0	32	-2.0	-86.56	323.97	4.99	-81.57
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000392367	0	35	-2.0	-94.83	340.92	5.78	-89.05
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000392368	0	40	-2.0	-85.71	375.22	6.00	-79.71
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000392369	0	32	-2.0	-90.88	322.30	4.68	-86.20
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000392370	0	34	-2.0	-86.73	339.67	5.26	-81.47
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000392371	0	33	-2.0	-101.15	321.19	2.29	-98.86
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000392372	0	35	-2.0	-92.30	333.65	5.36	-86.94
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000392373	0	32	-2.0	-92.28	332.19	5.12	-87.16
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000392374	0	35	-2.0	-96.46	321.51	5.23	-91.23
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000392375	0	35	-2.0	-99.25	336.31	5.24	-94.01
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000392376	0	35	-2.0	-89.39	326.88	5.36	-84.03
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000392377	0	38	-2.0	-103.03	344.37	5.66	-97.37
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000392378	0	34	-2.0	-99.07	338.05	5.69	-93.38
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000392379	0	32	-2.0	-90.05	323.21	4.71	-85.34
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000392380	0	38	-2.0	-100.99	345.00	5.99	-95.00
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000392381	0	35	-2.0	-99.34	332.95	5.19	-94.15
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000392382	0	35	-2.0	-98.67	343.26	5.73	-92.94
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000392383	0	35	-2.0	-104.70	336.49	5.28	-99.42
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2OC)C=C1C(=O)[O-]	REAL300000392384	0	38	-2.0	-101.90	345.76	5.78	-96.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2OC)C=C1CC(=O)[O-]	REAL300000392385	0	39	-2.0	-103.85	361.95	4.72	-99.13
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000392386	0	35	-2.0	-90.04	337.74	5.77	-84.27
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000392387	0	35	-2.0	-97.96	342.71	5.55	-92.41
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2OC)C=C1C(=O)[O-]	REAL300000392388	0	36	-2.0	-101.01	339.50	4.80	-96.21
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000392389	0	44	-2.0	-100.50	376.62	7.46	-93.04
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000392390	0	35	-2.0	-95.91	345.25	5.66	-90.25
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000392391	0	35	-2.0	-90.66	331.54	5.23	-85.43
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000392392	0	35	-2.0	-100.15	331.42	5.40	-94.75
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000392393	0	34	-2.0	-106.59	333.60	6.37	-100.22
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000392394	0	32	-2.0	-104.01	315.11	4.61	-99.40
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000392395	0	35	-2.0	-94.15	336.43	5.26	-88.89
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000392396	0	38	-2.0	-108.24	352.51	6.71	-101.53
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000392397	0	31	-2.0	-98.03	307.69	2.70	-95.33
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1OC	REAL300000392398	0	36	-2.0	-92.96	339.67	4.38	-88.58
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000392399	0	29	-2.0	-89.36	311.58	3.55	-85.81
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000392400	0	39	-2.0	-95.34	356.07	6.42	-88.92
COC1=C(F)C=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000392401	0	39	-2.0	-97.45	355.56	6.45	-91.00
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2OC)C=C(C(=O)[O-])O1	REAL300000392402	0	35	-2.0	-95.51	330.58	4.48	-91.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)=CC=C1F	REAL300000392403	0	35	-2.0	-116.33	346.70	6.04	-110.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)C=C1	REAL300000392404	0	35	-2.0	-106.89	342.16	6.01	-100.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)=C1	REAL300000392405	0	35	-2.0	-120.63	342.17	6.00	-114.63
CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)C=C1C(=O)[O-]	REAL300000392406	0	38	-2.0	-123.27	362.24	6.65	-116.62
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)=C1	REAL300000392407	0	35	-2.0	-117.27	347.65	6.07	-111.20
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)=C1	REAL300000392408	0	32	-2.0	-114.32	335.36	5.03	-109.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC(F)=C2F)=C1	REAL300000392409	0	38	-2.0	-121.07	357.61	6.79	-114.28
CN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)C=C1C(=O)[O-]	REAL300000392410	0	36	-2.0	-118.79	348.82	5.36	-113.43
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)=C1	REAL300000392411	0	35	-2.0	-109.50	351.28	5.69	-103.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)=CS1	REAL300000392412	0	32	-2.0	-114.75	333.82	5.03	-109.72
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)C=C(C(=O)[O-])O1	REAL300000392413	0	35	-2.0	-113.52	345.17	5.15	-108.37
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)C=C(C(=O)[O-])S1	REAL300000392414	0	35	-2.0	-116.99	351.85	5.89	-111.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)C=C1F	REAL300000392415	0	35	-2.0	-106.10	346.68	6.05	-100.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)S1	REAL300000392416	0	32	-2.0	-108.30	334.43	5.14	-103.16
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)=C1	REAL300000392417	0	35	-2.0	-109.84	348.57	6.07	-103.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)C(F)=C1	REAL300000392418	0	35	-2.0	-106.25	347.63	6.08	-100.17
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)=C1	REAL300000392419	0	36	-2.0	-119.46	351.88	3.73	-115.73
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)C=C1	REAL300000392420	0	38	-2.0	-110.24	364.34	6.79	-103.45
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC(F)=C2F)=C1	REAL300000392421	0	38	-2.0	-115.70	352.22	6.65	-109.05
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC(F)=C2F)=C1	REAL300000392422	0	38	-2.0	-107.15	357.58	6.78	-100.37
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)C=C1C(=O)[O-]	REAL300000392423	0	39	-2.0	-120.21	370.19	6.23	-113.98
CC1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)=CC=C1C(=O)[O-]	REAL300000392424	0	38	-2.0	-107.17	358.17	6.55	-100.62
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)=C1F	REAL300000392425	0	35	-2.0	-123.61	345.83	6.04	-117.57
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)=C1	REAL300000392426	0	34	-2.0	-117.97	338.38	4.13	-113.84
CCC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(F)=C3F)=C2)C=C(C(=O)[O-])O1	REAL300000392427	0	38	-2.0	-113.29	364.29	6.01	-107.28
CS(=O)(=O)C1=CC=CC=C1NNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000392449	0	37	-2.0	-111.92	334.90	2.37	-109.55
CS(=O)(=O)C1=CC=CC=C1N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000392460	1	33	-2.0	-98.17	339.28	1.45	-96.72
O=C([O-])C1=CC(S(=O)(=O)NNC2=C3SC=CC3=NC=N2)=CC(C(=O)[O-])=C1	REAL300000392485	0	34	-2.0	-108.28	344.47	5.19	-103.09
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NNC2=C3SC=CC3=NC=N2)=C1	REAL300000392504	0	32	-2.0	-104.50	315.16	3.62	-100.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC2=C3SC=CC3=NC=N2)=C1	REAL300000392511	1	31	-2.0	-97.86	324.29	5.02	-92.84
O=C([O-])C1=CC(S(=O)(=O)[N-]NC2=C3SC=CC3=NC=N2)=C(Cl)O1	REAL300000392529	1	28	-2.0	-96.87	312.68	3.87	-93.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=CC=C1F	REAL300000392533	0	35	-2.0	-110.99	336.63	6.32	-104.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1	REAL300000392534	0	35	-2.0	-101.03	332.07	6.31	-94.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000392535	0	35	-2.0	-113.48	332.10	6.29	-107.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2F)N=C1	REAL300000392536	0	39	-2.0	-119.39	360.24	6.11	-113.28
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1	REAL300000392537	0	39	-2.0	-100.72	363.55	7.60	-93.12
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000392538	0	38	-2.0	-115.85	352.17	6.94	-108.91
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000392539	0	35	-2.0	-109.62	345.17	6.88	-102.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=CC=C1Cl	REAL300000392540	0	35	-2.0	-109.28	344.60	6.69	-102.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C1C	REAL300000392541	0	41	-2.0	-116.92	364.49	7.61	-109.31
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000392542	0	35	-2.0	-111.06	337.57	6.36	-104.70
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1	REAL300000392543	0	41	-2.0	-100.12	375.66	7.88	-92.24
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000392544	0	32	-2.0	-107.73	325.28	5.33	-102.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2F)N=C1	REAL300000392545	0	38	-2.0	-115.05	347.53	7.09	-107.96
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1	REAL300000392546	0	39	-2.0	-99.39	363.16	6.58	-92.81
CN1C=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000392547	0	36	-2.0	-111.88	338.74	5.66	-106.22
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2F)N=C1	REAL300000392548	0	39	-2.0	-115.41	356.30	5.13	-110.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000392549	0	35	-2.0	-103.81	341.22	5.98	-97.83
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000392550	0	41	-2.0	-116.54	363.16	7.64	-108.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=CS1	REAL300000392551	0	32	-2.0	-109.14	323.75	5.34	-103.80
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000392552	0	39	-2.0	-119.31	359.37	6.37	-112.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2F)N=C1	REAL300000392553	0	41	-2.0	-113.47	362.25	8.01	-105.46
CC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C(C(=O)[O-])O1	REAL300000392554	0	35	-2.0	-107.75	335.10	5.45	-102.30
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000392555	0	39	-2.0	-114.33	361.08	5.40	-108.93
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2F)N=C1	REAL300000392556	0	38	-2.0	-105.44	352.80	7.12	-98.32
CC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C(C(=O)[O-])S1	REAL300000392557	0	35	-2.0	-111.15	341.79	6.19	-104.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C(Cl)=C1	REAL300000392558	0	35	-2.0	-98.60	345.15	6.87	-91.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1F	REAL300000392559	0	35	-2.0	-100.53	336.61	6.35	-94.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)S1	REAL300000392560	0	32	-2.0	-102.65	324.37	5.42	-97.23
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000392561	0	35	-2.0	-104.29	338.50	6.36	-97.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C1F	REAL300000392562	0	38	-2.0	-112.39	357.87	7.00	-105.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C(F)=C1	REAL300000392563	0	35	-2.0	-100.28	337.56	6.38	-93.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1Cl	REAL300000392564	0	35	-2.0	-98.57	344.59	6.71	-91.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=CC(F)=C1F	REAL300000392565	0	35	-2.0	-102.50	342.91	6.40	-96.10
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000392566	0	36	-2.0	-114.24	341.81	4.02	-110.22
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1	REAL300000392567	0	38	-2.0	-104.90	354.26	7.08	-97.82
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2F)N=C1	REAL300000392568	0	38	-2.0	-109.20	342.15	6.93	-102.27
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=CC(C(=O)[O-])=C1F	REAL300000392569	0	38	-2.0	-112.30	356.93	6.95	-105.35
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2F)N=C1	REAL300000392570	0	38	-2.0	-101.44	347.51	7.08	-94.36
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=CC(C(=O)[O-])=C1C	REAL300000392571	0	41	-2.0	-117.77	368.90	7.46	-110.31
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000392572	0	35	-2.0	-102.56	343.85	6.42	-96.14
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C(C)=C1C(=O)[O-]	REAL300000392573	0	41	-2.0	-113.31	366.57	7.67	-105.64
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000392574	0	38	-2.0	-113.38	357.41	7.00	-106.38
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000392575	0	38	-2.0	-117.62	357.11	7.00	-110.62
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000392576	0	41	-2.0	-115.30	366.33	7.48	-107.82
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000392577	0	39	-2.0	-113.15	360.12	6.53	-106.62
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=CC=C1C(=O)[O-]	REAL300000392578	0	38	-2.0	-101.18	348.10	6.85	-94.33
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2F)N=C1	REAL300000392579	0	38	-2.0	-112.42	352.05	7.11	-105.31
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C1F	REAL300000392580	0	35	-2.0	-116.89	335.76	6.33	-110.56
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000392581	0	38	-2.0	-106.03	357.04	6.97	-99.06
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000392582	0	34	-2.0	-111.00	328.32	4.42	-106.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2F)N=C1	REAL300000392583	0	39	-2.0	-105.29	360.30	6.10	-99.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)=C(Cl)O1	REAL300000392584	0	32	-2.0	-101.45	332.24	5.27	-96.18
CCC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3F)N=C2)C=C(C(=O)[O-])O1	REAL300000392585	0	38	-2.0	-107.72	354.23	6.30	-101.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=C(O)C=C1C	REAL300000392589	0	45	-2.0	-114.49	383.36	4.74	-109.75
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000392593	0	41	-2.0	-106.30	360.70	5.00	-101.30
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000392595	0	38	-2.0	-102.92	348.40	3.95	-98.97
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000392598	1	42	-2.0	-107.45	361.87	4.29	-103.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(C)C)=C(O)C=C2C)=C1	REAL300000392600	0	41	-2.0	-99.40	364.33	4.62	-94.78
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000392602	1	38	-2.0	-104.78	346.87	3.97	-100.81
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=C(O)C=C1C	REAL300000392606	0	48	-2.0	-114.73	405.65	5.50	-109.23
CC1=CC(O)=C(C(C)C)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000392607	0	44	-2.0	-107.42	378.56	5.32	-102.10
CC1=C(S(=O)(=O)[N-]C2=CC(C(C)C)=C(O)C=C2C)C=C(C(=O)[O-])O1	REAL300000392609	0	41	-2.0	-102.70	358.23	4.07	-98.63
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(C)C)=C(O)C=C2C)=C1	REAL300000392610	0	45	-2.0	-109.72	384.14	4.03	-105.69
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000392612	1	44	-2.0	-100.24	375.93	5.75	-94.49
CC1=C(S(=O)(=O)[N-]C2=CC(C(C)C)=C(O)C=C2C)C=C(C(=O)[O-])S1	REAL300000392615	1	41	-2.0	-106.01	364.92	4.82	-101.19
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000392616	1	41	-2.0	-93.50	368.27	5.51	-87.99
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000392618	0	38	-2.0	-98.07	347.48	4.07	-94.00
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000392619	1	41	-2.0	-99.31	361.63	5.01	-94.30
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000392620	0	44	-2.0	-108.30	380.96	5.63	-102.67
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000392621	0	41	-2.0	-95.50	360.68	5.01	-90.49
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000392624	1	43	-2.0	-93.51	383.42	5.60	-87.91
CC1=CC(O)=C(C(C)C)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000392625	0	42	-2.0	-106.25	362.39	3.45	-102.80
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000392625	1	42	-2.0	-108.89	364.94	2.65	-106.24
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000392631	1	43	-2.0	-107.30	381.78	6.04	-101.26
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000392632	0	41	-2.0	-98.12	366.95	5.06	-93.06
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000392634	0	44	-2.0	-108.69	380.54	5.64	-103.05
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000392635	0	44	-2.0	-106.80	387.00	6.08	-100.72
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(C)C)=C(O)C=C2C)=C1	REAL300000392636	0	44	-2.0	-113.85	380.26	5.63	-108.22
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(C)C)=C(O)C=C2C)C=C1C(=O)[O-]	REAL300000392641	1	45	-2.0	-108.76	383.17	5.15	-103.61
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000392645	0	43	-2.0	-116.00	378.94	6.79	-109.21
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000392646	0	41	-2.0	-112.97	358.85	4.96	-108.01
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000392649	0	40	-2.0	-106.46	352.19	3.00	-103.46
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(C)C)=C(O)C=C1C	REAL300000392650	1	45	-2.0	-100.58	383.42	4.73	-95.85
CC1=CC(O)=C(C(C)C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000392651	0	38	-2.0	-96.54	355.31	3.91	-92.63
CCC1=C(S(=O)(=O)[N-]C2=CC(C(C)C)=C(O)C=C2C)C=C(C(=O)[O-])O1	REAL300000392654	0	44	-2.0	-102.61	377.34	4.93	-97.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=CC=C1F	REAL300000392655	0	35	-2.0	-113.47	332.37	5.96	-107.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=CC=C1F	REAL300000392655	1	35	-2.0	-103.52	332.85	5.96	-97.56
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2)=C1	REAL300000392656	0	43	-2.0	-114.89	387.46	7.03	-107.86
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2)=NN1	REAL300000392656	1	43	-2.0	-104.66	387.94	7.02	-97.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1	REAL300000392657	0	35	-2.0	-103.25	327.83	5.94	-97.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1	REAL300000392657	1	35	-2.0	-93.73	328.31	5.93	-87.80
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1	REAL300000392658	0	35	-2.0	-116.29	327.84	5.93	-110.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=C1	REAL300000392658	1	35	-2.0	-105.73	328.32	5.92	-99.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2)=C1	REAL300000392659	0	39	-2.0	-122.20	355.98	5.74	-116.46
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2)=NN1	REAL300000392659	1	39	-2.0	-110.71	356.46	5.74	-104.97
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1	REAL300000392660	0	39	-2.0	-102.85	359.29	7.22	-95.63
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1	REAL300000392660	1	39	-2.0	-93.62	359.79	7.22	-86.40
CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000392661	0	38	-2.0	-118.80	347.91	6.58	-112.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1C(=O)[O-]	REAL300000392661	1	38	-2.0	-108.11	348.39	6.57	-101.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1C	REAL300000392662	0	41	-2.0	-119.13	360.94	7.27	-111.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=C1C	REAL300000392662	1	41	-2.0	-108.41	360.31	7.26	-101.15
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1	REAL300000392663	0	35	-2.0	-113.68	333.32	5.99	-107.69
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1	REAL300000392664	0	41	-2.0	-102.19	371.40	7.52	-94.67
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1	REAL300000392664	1	41	-2.0	-92.82	371.90	7.52	-85.30
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1	REAL300000392665	0	32	-2.0	-110.10	321.03	4.95	-105.15
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=C1	REAL300000392665	1	32	-2.0	-99.98	321.51	4.95	-95.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2)=C1	REAL300000392666	0	38	-2.0	-117.38	343.27	6.71	-110.67
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2)=NN1	REAL300000392666	1	38	-2.0	-106.49	343.75	6.71	-99.78
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1	REAL300000392667	0	39	-2.0	-101.50	358.91	6.21	-95.29
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1	REAL300000392667	1	39	-2.0	-92.33	359.41	6.21	-86.12
CN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000392668	0	36	-2.0	-114.61	334.48	5.29	-109.32
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1C(=O)[O-]	REAL300000392668	1	36	-2.0	-104.16	334.97	5.27	-98.89
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2)=C1	REAL300000392669	0	39	-2.0	-117.73	352.05	4.75	-112.98
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2)=NN1	REAL300000392669	1	39	-2.0	-107.17	352.10	4.76	-102.41
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1	REAL300000392670	0	35	-2.0	-106.12	336.96	5.62	-100.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=C1	REAL300000392670	1	35	-2.0	-96.13	337.45	5.61	-90.52
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000392671	0	41	-2.0	-118.66	359.29	7.25	-111.41
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1C(=O)[O-]	REAL300000392671	1	41	-2.0	-107.56	359.77	7.24	-100.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=CS1	REAL300000392672	0	32	-2.0	-111.70	319.49	4.96	-106.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=CS1	REAL300000392672	1	32	-2.0	-101.59	319.97	4.97	-96.62
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000392673	0	39	-2.0	-122.09	355.12	6.00	-116.09
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1C(=O)[O-]	REAL300000392673	1	39	-2.0	-111.66	355.60	5.99	-105.67
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1	REAL300000392674	0	45	-2.0	-121.28	383.08	8.57	-112.71
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=C1	REAL300000392674	1	45	-2.0	-109.77	383.55	8.56	-101.21
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2)=C1	REAL300000392675	0	44	-2.0	-119.74	381.74	7.94	-111.80
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2)=NN1	REAL300000392675	1	44	-2.0	-108.51	382.22	7.94	-100.57
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2)=C1	REAL300000392676	0	41	-2.0	-115.63	357.98	7.66	-107.97
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2)=NN1	REAL300000392676	1	41	-2.0	-104.94	358.44	7.66	-97.28
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2)=C1	REAL300000392677	0	42	-2.0	-122.82	378.27	6.50	-116.32
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2)=NN1	REAL300000392677	1	42	-2.0	-111.61	378.75	6.50	-105.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=CC(C(=O)[O-])=C1	REAL300000392678	0	37	-3.0	-191.81	356.24	6.49	-185.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=CC(C(=O)[O-])=C1	REAL300000392678	1	37	-3.0	-179.38	356.72	6.49	-172.89
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1	REAL300000392679	0	42	-2.0	-121.64	372.09	7.82	-113.82
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=C1	REAL300000392679	1	42	-2.0	-110.10	372.57	7.82	-102.28
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000392680	0	35	-2.0	-109.63	330.85	5.07	-104.56
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C(C(=O)[O-])O1	REAL300000392680	1	35	-2.0	-99.49	331.33	5.07	-94.42
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1	REAL300000392681	0	39	-2.0	-117.14	356.82	5.03	-112.11
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=C1	REAL300000392681	1	39	-2.0	-107.22	357.23	5.03	-102.19
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NNC(C4=CC=CC=C4)=C3)C=C2C1	REAL300000392682	0	43	-2.0	-103.05	381.47	6.54	-96.51
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC(C4=CC=CC=C4)=NN3)C=C2C1	REAL300000392682	1	43	-2.0	-92.84	381.25	6.53	-86.31
CC1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=CC=C1OCC(=O)[O-]	REAL300000392683	0	42	-2.0	-101.98	378.99	6.92	-95.06
CC1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=CC=C1OCC(=O)[O-]	REAL300000392683	1	42	-2.0	-92.70	379.48	6.92	-85.78
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2)=C1	REAL300000392684	0	38	-2.0	-107.44	348.56	6.75	-100.69
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2)=NN1	REAL300000392684	1	38	-2.0	-97.41	348.62	6.77	-90.64
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1F	REAL300000392685	0	39	-2.0	-100.73	365.13	6.28	-94.45
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1F	REAL300000392685	1	39	-2.0	-91.96	365.62	6.27	-85.69
CCOC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000392686	0	42	-2.0	-122.77	376.97	6.91	-115.86
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1C(=O)[O-]	REAL300000392686	1	42	-2.0	-112.20	377.45	6.90	-105.30
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C(C(=O)[O-])S1	REAL300000392687	0	35	-2.0	-113.41	336.47	5.82	-107.59
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C(C(=O)[O-])S1	REAL300000392687	1	35	-2.0	-102.83	338.01	5.81	-97.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C(Cl)=C1	REAL300000392688	0	35	-2.0	-100.74	340.89	6.49	-94.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C(Cl)=C1	REAL300000392688	1	35	-2.0	-91.52	341.37	6.49	-85.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1F	REAL300000392689	0	35	-2.0	-102.48	332.35	5.97	-96.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1F	REAL300000392689	1	35	-2.0	-93.35	332.85	5.97	-87.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)S1	REAL300000392690	0	32	-2.0	-104.88	320.10	5.06	-99.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)S1	REAL300000392690	1	32	-2.0	-95.03	320.57	5.05	-89.98
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1	REAL300000392691	0	35	-2.0	-106.83	334.24	6.00	-100.83
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=C1	REAL300000392691	1	35	-2.0	-96.71	334.73	5.99	-90.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1F	REAL300000392692	0	38	-2.0	-115.11	353.60	6.63	-108.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C(F)=C1	REAL300000392693	0	35	-2.0	-102.65	333.30	6.00	-96.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1Cl	REAL300000392694	0	35	-2.0	-100.69	340.32	6.33	-94.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1Cl	REAL300000392694	1	35	-2.0	-91.34	340.82	6.33	-85.01
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2)=C1	REAL300000392695	0	38	-2.0	-109.21	357.30	7.14	-102.07
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2)=NN1	REAL300000392695	1	38	-2.0	-98.99	357.35	7.15	-91.84
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1	REAL300000392696	0	43	-2.0	-99.50	391.57	7.34	-92.16
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1	REAL300000392696	1	43	-2.0	-90.68	392.07	7.34	-83.34
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1	REAL300000392697	0	37	-2.0	-100.64	356.03	6.60	-94.04
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=C1	REAL300000392697	1	37	-2.0	-91.00	356.52	6.59	-84.41
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1	REAL300000392698	0	36	-2.0	-116.07	337.56	3.65	-112.42
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=C1	REAL300000392698	1	36	-2.0	-105.11	338.03	3.65	-101.46
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1	REAL300000392699	0	38	-2.0	-107.06	350.01	6.71	-100.35
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1	REAL300000392699	1	38	-2.0	-96.90	350.50	6.71	-90.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=CC(Cl)=C1F	REAL300000392700	0	35	-2.0	-106.15	348.54	6.46	-99.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=CC(Cl)=C1F	REAL300000392700	1	35	-2.0	-96.49	349.03	6.46	-90.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2)=C1	REAL300000392701	0	38	-2.0	-112.31	337.91	6.57	-105.74
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2)=NN1	REAL300000392701	1	38	-2.0	-102.35	338.36	6.56	-95.79
CC1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=CC(C(=O)[O-])=C1F	REAL300000392702	0	38	-2.0	-114.78	352.67	6.58	-108.20
CC1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=CC(C(=O)[O-])=C1F	REAL300000392702	1	38	-2.0	-104.67	353.16	6.58	-98.09
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2)=C1	REAL300000392703	0	38	-2.0	-103.43	343.25	6.70	-96.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2)=NN1	REAL300000392703	1	38	-2.0	-93.92	343.73	6.70	-87.22
CC1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=CC(C(=O)[O-])=C1C	REAL300000392704	0	41	-2.0	-120.84	364.64	7.10	-113.74
CC1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=CC(C(=O)[O-])=C1C	REAL300000392704	1	41	-2.0	-108.44	361.78	7.01	-101.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=CC=C1[N+](=O)[O-]	REAL300000392705	0	37	-2.0	-113.78	354.39	7.03	-106.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=CC=C1[N+](=O)[O-]	REAL300000392705	1	37	-2.0	-104.51	354.87	7.02	-97.49
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1	REAL300000392706	0	35	-2.0	-104.92	339.57	6.06	-98.86
CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C(C)=C1C(=O)[O-]	REAL300000392707	0	41	-2.0	-116.47	362.32	7.32	-109.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C(C)=C1C(=O)[O-]	REAL300000392707	1	41	-2.0	-106.60	361.85	7.34	-99.26
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000392708	0	38	-2.0	-114.82	349.31	6.53	-108.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1Cl	REAL300000392709	0	38	-2.0	-113.76	359.60	7.07	-106.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=C1Cl	REAL300000392709	1	38	-2.0	-102.90	360.08	7.06	-95.84
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1	REAL300000392710	0	38	-2.0	-121.10	352.85	6.62	-114.48
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000392711	0	41	-2.0	-118.28	361.78	7.12	-111.16
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1C(=O)[O-]	REAL300000392711	1	41	-2.0	-107.48	362.25	7.11	-100.37
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1CC(=O)[O-]	REAL300000392712	0	42	-2.0	-117.90	378.30	6.06	-111.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1CC(=O)[O-]	REAL300000392712	1	42	-2.0	-107.33	378.79	6.06	-101.27
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2)=C1	REAL300000392713	0	38	-2.0	-105.32	354.10	7.11	-98.21
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2)=NN1	REAL300000392713	1	38	-2.0	-95.52	354.58	7.11	-88.41
CC1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000392714	0	38	-2.0	-113.71	359.06	6.89	-106.82
CC1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=CC(C(=O)[O-])=C1Cl	REAL300000392714	1	38	-2.0	-103.27	359.55	6.88	-96.39
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000392715	0	39	-2.0	-115.87	355.86	6.15	-109.72
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1C(=O)[O-]	REAL300000392715	1	39	-2.0	-105.40	356.26	6.14	-99.26
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C(C)=C1CC(=O)[O-]	REAL300000392716	0	47	-2.0	-115.76	392.75	8.78	-106.98
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C(C)=C1CC(=O)[O-]	REAL300000392716	1	47	-2.0	-106.84	393.47	8.80	-98.04
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000392717	0	38	-2.0	-109.41	357.70	6.90	-102.51
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1C(=O)[O-]	REAL300000392717	1	38	-2.0	-100.17	362.09	6.99	-93.18
CC1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000392718	0	38	-2.0	-104.99	347.89	6.58	-98.41
CC1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=CC=C1C(=O)[O-]	REAL300000392718	1	38	-2.0	-93.70	344.32	6.47	-87.23
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2)=C1	REAL300000392719	0	38	-2.0	-114.40	347.79	6.75	-107.65
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2)=NN1	REAL300000392719	1	38	-2.0	-104.38	347.85	6.76	-97.62
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1[N+](=O)[O-]	REAL300000392720	0	37	-2.0	-123.38	351.58	7.79	-115.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=C1[N+](=O)[O-]	REAL300000392720	1	37	-2.0	-113.43	352.04	7.79	-105.64
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1F	REAL300000392721	0	35	-2.0	-120.29	331.50	5.97	-114.32
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000392722	0	38	-2.0	-107.64	349.00	6.50	-101.14
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C1C(=O)[O-]	REAL300000392722	1	38	-2.0	-98.39	353.27	6.60	-91.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=CC2=CC=CC=C21	REAL300000392723	0	41	-2.0	-124.59	368.88	8.06	-116.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=CC2=CC=CC=C21	REAL300000392723	1	41	-2.0	-113.73	369.36	8.05	-105.68
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C1	REAL300000392724	0	34	-2.0	-113.90	324.06	4.05	-109.85
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=C1	REAL300000392724	1	34	-2.0	-102.34	325.30	3.98	-98.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=C2)=C1	REAL300000392725	0	39	-2.0	-107.82	356.04	5.74	-102.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=C2)=NN1	REAL300000392725	1	39	-2.0	-97.68	356.52	5.73	-91.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)=C(Cl)O1	REAL300000392726	0	32	-2.0	-103.31	327.94	4.89	-98.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)=C(Cl)O1	REAL300000392726	1	32	-2.0	-93.48	328.42	4.89	-88.59
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NNC(C4=CC=CC=C4)=C3)C=C2)CC1	REAL300000392727	0	42	-2.0	-110.04	373.96	7.82	-102.22
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(C4=CC=CC=C4)=NN3)C=C2)CC1	REAL300000392727	1	42	-2.0	-100.05	374.44	7.81	-92.24
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NNC(C4=CC=CC=C4)=C3)C=C2C1	REAL300000392728	0	42	-2.0	-113.78	373.28	7.82	-105.96
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(C4=CC=CC=C4)=NN3)C=C2C1	REAL300000392728	1	42	-2.0	-103.01	372.40	7.80	-95.21
CCC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000392729	0	38	-2.0	-109.50	349.97	5.93	-103.57
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=NN2)C=C(C(=O)[O-])O1	REAL300000392729	1	38	-2.0	-99.33	350.44	5.92	-93.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC([N+](=O)[O-])=C3)=C2)C=C1	REAL300000392730	0	37	-2.0	-102.02	356.02	6.61	-95.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC([N+](=O)[O-])=C3)=NN2)C=C1	REAL300000392730	1	37	-2.0	-93.53	356.54	6.61	-86.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC([N+](=O)[O-])=C3)=C2)=C1	REAL300000392731	0	37	-2.0	-114.65	356.03	6.60	-108.05
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC([N+](=O)[O-])=C3)=NN2)=C1	REAL300000392731	1	37	-2.0	-105.29	356.57	6.60	-98.69
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC([N+](=O)[O-])=C3)=C2)=C1	REAL300000392732	0	34	-2.0	-108.72	349.22	5.63	-103.09
CN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC([N+](=O)[O-])=C3)=C2)C=C1C(=O)[O-]	REAL300000392733	0	38	-2.0	-113.00	362.68	5.95	-107.05
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC([N+](=O)[O-])=C3)=NN2)C=C1C(=O)[O-]	REAL300000392733	1	38	-2.0	-103.70	363.21	5.95	-97.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC([N+](=O)[O-])=C3)=C2)=CS1	REAL300000392734	0	34	-2.0	-110.26	347.68	5.62	-104.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC([N+](=O)[O-])=C3)=NN2)=CS1	REAL300000392734	1	34	-2.0	-101.12	348.22	5.63	-95.49
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC([N+](=O)[O-])=C3)=C2)C=C(C(=O)[O-])O1	REAL300000392735	0	37	-2.0	-109.00	359.04	5.75	-103.25
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC([N+](=O)[O-])=C3)=NN2)C=C(C(=O)[O-])O1	REAL300000392735	1	37	-2.0	-99.91	359.58	5.74	-94.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC([N+](=O)[O-])=C3)=C2)S1	REAL300000392736	0	34	-2.0	-103.66	348.29	5.73	-97.93
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC([N+](=O)[O-])=C3)=C2)=C1	REAL300000392737	0	36	-2.0	-112.14	352.25	4.72	-107.42
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C3=CC=CC([N+](=O)[O-])=C3)=NN2)=C1	REAL300000392737	1	36	-2.0	-102.36	352.78	4.72	-97.64
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=NN1	REAL300000392738	0	44	-2.0	-95.98	387.68	3.44	-92.54
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000392738	1	44	-2.0	-86.23	387.36	3.41	-82.82
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1	REAL300000392739	0	37	-2.0	-112.57	335.74	4.88	-107.69
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000392739	1	37	-2.0	-101.74	335.42	4.86	-96.88
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(C)(C)C)=C1	REAL300000392740	0	45	-2.0	-114.16	390.82	5.95	-108.21
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=NN1	REAL300000392740	1	45	-2.0	-103.05	390.48	5.93	-97.12
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1	REAL300000392741	0	37	-2.0	-102.30	331.18	4.86	-97.44
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000392741	1	37	-2.0	-91.86	330.86	4.83	-87.03
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1	REAL300000392742	0	37	-2.0	-115.39	331.23	4.85	-110.54
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000392742	1	37	-2.0	-103.91	330.90	4.83	-99.08
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(C)(C)C)=C1	REAL300000392743	0	41	-2.0	-121.38	359.34	4.66	-116.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=NN1	REAL300000392743	1	41	-2.0	-109.06	359.00	4.64	-104.42
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1	REAL300000392744	0	41	-2.0	-102.08	362.67	6.15	-95.93
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000392744	1	41	-2.0	-91.96	362.34	6.12	-85.84
CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000392745	0	40	-2.0	-116.66	347.21	5.38	-111.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C=C1C(=O)[O-]	REAL300000392745	1	40	-2.0	-104.98	346.89	5.36	-99.62
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NN1	REAL300000392746	0	37	-2.0	-111.11	344.27	5.41	-105.70
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000392746	1	37	-2.0	-99.65	343.93	5.39	-94.26
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN1	REAL300000392747	0	37	-2.0	-111.00	343.71	5.24	-105.76
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000392747	1	37	-2.0	-99.96	343.40	5.22	-94.74
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=NN1	REAL300000392748	0	37	-2.0	-106.58	356.76	5.79	-100.79
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000392748	1	37	-2.0	-95.36	356.43	5.77	-89.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)=C1C	REAL300000392749	0	43	-2.0	-118.27	364.31	6.17	-112.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)=C1C	REAL300000392749	1	43	-2.0	-106.77	362.85	6.15	-100.62
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1	REAL300000392750	0	37	-2.0	-112.79	336.68	4.91	-107.88
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1	REAL300000392751	0	43	-2.0	-101.41	374.79	6.44	-94.97
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000392751	1	43	-2.0	-91.11	374.46	6.42	-84.69
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1	REAL300000392752	0	34	-2.0	-109.28	324.39	3.88	-105.40
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000392752	1	34	-2.0	-98.24	324.05	3.85	-94.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(C)(C)C)=C1	REAL300000392753	0	40	-2.0	-116.43	346.63	5.62	-110.81
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=NN1	REAL300000392753	1	40	-2.0	-104.69	346.29	5.61	-99.08
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NN1	REAL300000392754	0	41	-2.0	-100.71	362.29	5.14	-95.57
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000392754	1	41	-2.0	-90.64	361.97	5.11	-85.53
CN1C=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000392755	0	38	-2.0	-113.70	337.84	4.20	-109.50
CN1C=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C=C1C(=O)[O-]	REAL300000392755	1	38	-2.0	-102.39	337.51	4.17	-98.22
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(C)(C)C)=C1	REAL300000392756	0	41	-2.0	-117.06	354.99	3.69	-113.37
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=NN1	REAL300000392756	1	41	-2.0	-105.44	354.64	3.65	-101.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)=C1	REAL300000392757	0	37	-2.0	-105.22	340.31	4.53	-100.69
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)=C1	REAL300000392757	1	37	-2.0	-94.39	339.99	4.51	-89.88
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000392758	0	43	-2.0	-119.13	366.65	6.26	-112.87
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C=C1C(=O)[O-]	REAL300000392758	1	43	-2.0	-105.83	362.31	6.15	-99.68
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1	REAL300000392759	0	34	-2.0	-110.80	322.88	3.88	-106.92
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000392759	1	34	-2.0	-99.84	322.56	3.87	-95.97
COC1=CC(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000392760	0	45	-2.0	-115.60	389.62	4.66	-110.94
COC1=CC(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)=CC(C(=O)[O-])=C1OC	REAL300000392760	1	45	-2.0	-104.31	389.23	4.64	-99.67
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000392761	0	41	-2.0	-121.27	358.49	4.92	-116.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C=C1C(=O)[O-]	REAL300000392761	1	41	-2.0	-109.85	358.17	4.89	-104.96
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=NN1	REAL300000392762	0	47	-2.0	-120.61	386.43	7.48	-113.13
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000392762	1	47	-2.0	-108.30	386.11	7.45	-100.85
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(C)(C)C)=C1	REAL300000392763	0	46	-2.0	-118.89	385.10	6.85	-112.04
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=NN1	REAL300000392763	1	46	-2.0	-106.86	384.76	6.84	-100.02
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(C)(C)C)=C1	REAL300000392764	0	43	-2.0	-114.73	361.33	6.56	-108.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=NN1	REAL300000392764	1	43	-2.0	-103.22	360.98	6.56	-96.66
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(C)(C)C)=C1	REAL300000392765	0	44	-2.0	-121.34	381.63	5.42	-115.92
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=NN1	REAL300000392765	1	44	-2.0	-108.70	381.28	5.40	-103.30
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=NN1	REAL300000392766	0	39	-3.0	-190.41	359.63	5.42	-184.99
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000392766	1	39	-3.0	-177.07	359.31	5.39	-171.68
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=NN1	REAL300000392767	0	44	-2.0	-120.91	375.44	6.74	-114.17
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000392767	1	44	-2.0	-108.59	375.13	6.72	-101.87
CC1=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000392768	0	37	-2.0	-108.83	334.24	4.00	-104.83
CC1=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C=C(C(=O)[O-])O1	REAL300000392768	1	37	-2.0	-97.79	333.89	3.97	-93.82
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=NN1	REAL300000392769	0	43	-2.0	-120.10	373.46	4.62	-115.48
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000392769	1	43	-2.0	-108.63	373.04	4.60	-104.03
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)=C1	REAL300000392770	0	41	-2.0	-116.38	360.11	3.95	-112.43
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)=C1	REAL300000392770	1	41	-2.0	-105.27	359.77	3.93	-101.34
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=NN1	REAL300000392771	0	45	-2.0	-102.24	384.86	5.46	-96.78
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000392771	1	45	-2.0	-91.09	383.79	5.43	-85.66
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=NN1	REAL300000392772	0	37	-2.0	-104.60	358.97	5.70	-98.90
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000392772	1	37	-2.0	-93.77	358.58	5.68	-88.09
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=NN1	REAL300000392773	0	37	-2.0	-107.51	348.80	5.43	-102.08
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000392773	1	37	-2.0	-96.53	348.45	5.42	-91.11
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=NN1	REAL300000392774	0	41	-2.0	-99.08	378.30	5.67	-93.41
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000392774	1	41	-2.0	-89.30	377.99	5.65	-83.65
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)=CC=C1OCC(=O)[O-]	REAL300000392775	0	44	-2.0	-101.22	382.35	5.84	-95.38
CC1=CC(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)=CC=C1OCC(=O)[O-]	REAL300000392775	1	44	-2.0	-91.12	382.04	5.82	-85.30
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=NN1	REAL300000392776	0	47	-2.0	-99.79	410.95	6.10	-93.69
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000392776	1	47	-2.0	-90.37	410.63	6.08	-84.29
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(C)(C)C)=C1	REAL300000392777	0	40	-2.0	-106.64	351.90	5.67	-100.97
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=NN1	REAL300000392777	1	40	-2.0	-95.58	351.56	5.64	-89.94
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)=CC=C1OCCCC(=O)[O-]	REAL300000392778	0	50	-2.0	-101.44	424.80	6.77	-94.67
CC1=CC(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)=CC=C1OCCCC(=O)[O-]	REAL300000392778	1	50	-2.0	-91.44	424.49	6.75	-84.69
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=NN1	REAL300000392779	0	41	-2.0	-99.98	368.50	5.20	-94.78
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000392779	1	41	-2.0	-90.32	368.18	5.17	-85.15
CCOC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000392780	0	44	-2.0	-121.88	380.34	5.83	-116.05
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C=C1C(=O)[O-]	REAL300000392780	1	44	-2.0	-110.35	380.03	5.80	-104.55
CC1=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000392781	0	37	-2.0	-112.38	340.89	4.73	-107.65
CC1=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C=C(C(=O)[O-])S1	REAL300000392781	1	37	-2.0	-101.06	340.55	4.71	-96.35
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=NN1	REAL300000392782	0	37	-2.0	-104.66	359.42	5.86	-98.80
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000392782	1	37	-2.0	-93.51	359.13	5.84	-87.67
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NN1	REAL300000392783	0	37	-2.0	-99.89	344.25	5.40	-94.49
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000392783	1	37	-2.0	-89.70	343.96	5.39	-84.31
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1	REAL300000392784	0	37	-2.0	-101.59	335.73	4.89	-96.70
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000392784	1	37	-2.0	-91.50	335.41	4.87	-86.63
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1	REAL300000392785	0	34	-2.0	-103.96	323.46	3.98	-99.98
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000392785	1	34	-2.0	-93.28	323.13	3.96	-89.32
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1	REAL300000392786	0	37	-2.0	-105.91	337.70	4.92	-100.99
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000392786	1	37	-2.0	-94.94	337.26	4.89	-90.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)=C1F	REAL300000392787	0	40	-2.0	-114.22	356.96	5.55	-108.67
COC1=CC(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000392788	0	41	-2.0	-104.43	371.50	5.46	-98.97
COC1=CC(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)=C(Cl)C=C1C(=O)[O-]	REAL300000392788	1	41	-2.0	-94.30	371.16	5.45	-88.85
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1	REAL300000392789	0	37	-2.0	-101.76	336.66	4.92	-96.84
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1	REAL300000392790	0	37	-2.0	-99.75	343.70	5.25	-94.50
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000392790	1	37	-2.0	-89.55	343.38	5.23	-84.32
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(C)(C)C)=C1	REAL300000392791	0	40	-2.0	-108.39	360.64	6.05	-102.34
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=NN1	REAL300000392791	1	40	-2.0	-97.09	360.30	6.03	-91.06
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=NN1	REAL300000392792	0	45	-2.0	-98.77	394.94	6.26	-92.51
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000392792	1	45	-2.0	-89.00	394.63	6.24	-82.76
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NN1	REAL300000392793	0	37	-2.0	-103.74	342.11	4.95	-98.79
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000392793	1	37	-2.0	-93.39	341.72	4.92	-88.47
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=NN1	REAL300000392794	0	39	-2.0	-99.84	359.48	5.52	-94.32
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000392794	1	39	-2.0	-89.28	359.05	5.50	-83.78
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1	REAL300000392795	0	38	-2.0	-115.24	340.91	2.58	-112.66
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000392795	1	38	-2.0	-103.50	340.58	2.53	-100.97
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1	REAL300000392796	0	40	-2.0	-106.27	353.37	5.64	-100.63
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000392796	1	40	-2.0	-95.24	353.06	5.61	-89.63
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=NN1	REAL300000392797	0	37	-2.0	-105.31	352.00	5.38	-99.93
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000392797	1	37	-2.0	-94.80	351.61	5.36	-89.44
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NNC(C(C)(C)C)=C1	REAL300000392798	0	40	-2.0	-111.21	341.25	5.49	-105.72
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=NN1	REAL300000392798	1	40	-2.0	-100.35	340.89	5.46	-94.89
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000392799	0	40	-2.0	-113.95	356.04	5.50	-108.45
CC1=CC(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)=CC(C(=O)[O-])=C1F	REAL300000392799	1	40	-2.0	-102.88	355.70	5.48	-97.40
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C(C)(C)C)=C1	REAL300000392800	0	40	-2.0	-102.44	346.61	5.62	-96.82
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=NN1	REAL300000392800	1	40	-2.0	-92.18	346.27	5.60	-86.58
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)=CC(C(=O)[O-])=C1C	REAL300000392801	0	43	-2.0	-119.97	368.09	6.02	-113.95
CC1=CC(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)=CC(C(=O)[O-])=C1C	REAL300000392801	1	43	-2.0	-106.75	364.32	5.91	-100.84
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=NN1	REAL300000392802	0	39	-2.0	-112.96	357.76	5.95	-107.01
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000392802	1	39	-2.0	-102.85	357.43	5.92	-96.93
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NN1	REAL300000392803	0	37	-2.0	-104.11	342.93	4.98	-99.13
CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C(C)=C1C(=O)[O-]	REAL300000392804	0	43	-2.0	-115.75	364.58	6.26	-109.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C(C)=C1C(=O)[O-]	REAL300000392804	1	43	-2.0	-104.82	364.39	6.24	-98.58
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000392805	0	40	-2.0	-114.03	352.67	5.45	-108.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)=C1Cl	REAL300000392806	0	40	-2.0	-112.93	362.96	5.98	-106.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)=C1Cl	REAL300000392806	1	40	-2.0	-101.25	362.62	5.96	-95.29
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)=C1	REAL300000392807	0	40	-2.0	-120.06	356.23	5.54	-114.52
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000392808	0	43	-2.0	-117.41	365.16	6.04	-111.37
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C=C1C(=O)[O-]	REAL300000392808	1	43	-2.0	-105.62	365.20	6.01	-99.61
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C1CC(=O)[O-]	REAL300000392809	0	44	-2.0	-117.88	381.67	4.98	-112.90
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C=C1CC(=O)[O-]	REAL300000392809	1	44	-2.0	-105.54	381.35	4.96	-100.58
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NNC(C(C)(C)C)=C1	REAL300000392810	0	40	-2.0	-104.37	357.46	6.03	-98.34
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=NN1	REAL300000392810	1	40	-2.0	-93.69	357.12	6.01	-87.68
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=NN1	REAL300000392811	0	40	-2.0	-98.70	361.33	5.65	-93.05
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000392811	1	40	-2.0	-88.62	361.02	5.64	-82.98
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000392812	0	40	-2.0	-112.86	362.42	5.81	-107.05
CC1=CC(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)=CC(C(=O)[O-])=C1Cl	REAL300000392812	1	40	-2.0	-101.56	362.09	5.78	-95.78
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000392813	0	41	-2.0	-115.01	359.25	5.07	-109.94
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C=C1C(=O)[O-]	REAL300000392813	1	41	-2.0	-103.55	358.81	5.04	-98.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C(C)=C1CC(=O)[O-]	REAL300000392814	0	49	-2.0	-116.06	396.34	7.73	-108.33
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C(C)=C1CC(=O)[O-]	REAL300000392814	1	49	-2.0	-104.90	396.00	7.70	-97.20
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=NN1	REAL300000392815	0	37	-2.0	-102.58	356.81	5.41	-97.17
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000392816	0	40	-2.0	-108.60	361.16	5.82	-102.78
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C=C1C(=O)[O-]	REAL300000392816	1	40	-2.0	-98.40	364.63	5.90	-92.50
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=NN1	REAL300000392817	0	46	-2.0	-112.42	380.64	6.94	-105.48
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000392817	1	46	-2.0	-101.22	380.73	6.89	-94.33
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000392818	0	41	-2.0	-116.67	371.52	5.47	-111.20
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C=C1C(=O)[O-]	REAL300000392818	1	41	-2.0	-105.21	371.20	5.46	-99.75
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000392819	0	40	-2.0	-104.03	351.26	5.50	-98.53
CC1=CC(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)=CC=C1C(=O)[O-]	REAL300000392819	1	40	-2.0	-91.88	346.91	5.37	-86.51
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=NN1	REAL300000392820	0	42	-2.0	-107.21	371.92	7.03	-100.18
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000392820	1	42	-2.0	-96.45	374.15	7.04	-89.41
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(C)(C)C)=C1	REAL300000392821	0	40	-2.0	-113.86	350.74	5.69	-108.17
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=NN1	REAL300000392821	1	40	-2.0	-102.62	350.38	5.66	-96.96
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=NN1	REAL300000392822	0	39	-2.0	-122.30	354.94	6.71	-115.59
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000392822	1	39	-2.0	-111.44	354.59	6.69	-104.75
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1	REAL300000392823	0	37	-2.0	-119.27	334.85	4.89	-114.38
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000392824	0	40	-2.0	-106.84	352.45	5.42	-101.42
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C=C1C(=O)[O-]	REAL300000392824	1	40	-2.0	-96.66	355.81	5.50	-91.16
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=NN1	REAL300000392825	0	43	-2.0	-123.84	372.24	6.97	-116.87
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000392825	1	43	-2.0	-112.04	371.92	6.95	-105.09
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1	REAL300000392826	0	36	-2.0	-112.70	328.18	2.90	-109.80
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000392826	1	36	-2.0	-100.71	327.82	2.88	-97.83
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C(C)(C)C)=C1	REAL300000392827	0	41	-2.0	-106.97	359.40	4.66	-102.31
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=NN1	REAL300000392827	1	41	-2.0	-95.99	359.06	4.64	-91.35
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1	REAL300000392828	0	34	-2.0	-102.48	331.34	3.83	-98.65
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000392828	1	34	-2.0	-91.80	330.98	3.79	-88.01
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=NN1	REAL300000392829	0	44	-2.0	-109.32	377.35	6.74	-102.58
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000392829	1	44	-2.0	-98.41	377.03	6.71	-91.70
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=NN1	REAL300000392830	0	44	-2.0	-112.97	376.67	6.74	-106.23
CC(C)(C)C1=NNC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000392830	1	44	-2.0	-101.19	374.99	6.70	-94.49
CCC1=C(S(=O)(=O)[N-]C2=NNC(C(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000392831	0	40	-2.0	-108.73	353.32	4.84	-103.89
CCC1=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=NN2)C=C(C(=O)[O-])O1	REAL300000392831	1	40	-2.0	-97.69	353.00	4.82	-92.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=CC=C1F	REAL300000392832	0	32	-2.0	-112.82	325.88	5.09	-107.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1	REAL300000392833	0	32	-2.0	-102.63	321.34	5.07	-97.56
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1	REAL300000392834	0	32	-2.0	-115.61	321.35	5.06	-110.55
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CS2)=C1	REAL300000392835	0	36	-2.0	-121.39	349.49	4.87	-116.52
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1	REAL300000392836	0	36	-2.0	-102.24	352.80	6.35	-95.89
CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000392837	0	35	-2.0	-116.82	337.37	5.59	-111.23
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1	REAL300000392838	0	32	-2.0	-111.22	334.42	5.63	-105.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=CC=C1Cl	REAL300000392839	0	32	-2.0	-111.34	333.85	5.45	-105.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1C	REAL300000392840	0	38	-2.0	-118.35	354.46	6.40	-111.95
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1	REAL300000392841	0	32	-2.0	-112.94	326.82	5.12	-107.82
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1	REAL300000392842	0	38	-2.0	-101.60	364.92	6.65	-94.95
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1	REAL300000392843	0	29	-2.0	-109.22	314.53	4.08	-105.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CS2)=C1	REAL300000392844	0	35	-2.0	-116.62	336.78	5.84	-110.78
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1	REAL300000392845	0	36	-2.0	-100.95	352.43	5.34	-95.61
CN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000392846	0	33	-2.0	-113.88	328.00	4.40	-109.48
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CS2)=C1	REAL300000392847	0	36	-2.0	-116.92	345.55	3.88	-113.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1	REAL300000392848	0	32	-2.0	-105.50	330.47	4.74	-100.76
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000392849	0	38	-2.0	-117.88	352.80	6.38	-111.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=CS1	REAL300000392850	0	29	-2.0	-110.83	313.00	4.08	-106.75
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000392851	0	36	-2.0	-121.49	348.64	5.13	-116.36
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CS2)=C1	REAL300000392852	0	41	-2.0	-118.87	375.25	7.07	-111.80
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CS2)=C1	REAL300000392853	0	38	-2.0	-114.87	351.50	6.79	-108.08
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CS2)=C1	REAL300000392854	0	39	-2.0	-122.15	371.78	5.63	-116.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=CC(C(=O)[O-])=C1	REAL300000392855	0	34	-3.0	-191.17	349.75	5.62	-185.55
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1	REAL300000392856	0	39	-2.0	-120.79	365.60	6.94	-113.85
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C(C(=O)[O-])O1	REAL300000392857	0	32	-2.0	-109.01	324.35	4.20	-104.81
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1	REAL300000392858	0	36	-2.0	-116.59	350.33	4.15	-112.44
CC1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=CC=C1OCC(=O)[O-]	REAL300000392859	0	39	-2.0	-101.45	372.50	6.05	-95.40
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CS2)=C1	REAL300000392860	0	35	-2.0	-106.81	342.06	5.87	-100.94
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1F	REAL300000392861	0	36	-2.0	-100.18	358.64	5.40	-94.78
CCOC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000392862	0	39	-2.0	-122.10	370.48	6.03	-116.07
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C(C(=O)[O-])S1	REAL300000392863	0	32	-2.0	-112.74	329.97	4.95	-107.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C(Cl)=C1	REAL300000392864	0	32	-2.0	-100.23	334.40	5.62	-94.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1F	REAL300000392865	0	32	-2.0	-101.95	325.89	5.10	-96.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)S1	REAL300000392866	0	29	-2.0	-104.01	313.60	4.19	-99.82
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1	REAL300000392867	0	32	-2.0	-106.18	327.75	5.12	-101.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1F	REAL300000392868	0	35	-2.0	-114.26	347.11	5.76	-108.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C(F)=C1	REAL300000392869	0	32	-2.0	-102.10	326.81	5.13	-96.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1Cl	REAL300000392870	0	32	-2.0	-100.11	333.85	5.46	-94.65
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CS2)=C1	REAL300000392871	0	35	-2.0	-108.52	350.79	6.26	-102.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=CC(F)=C1F	REAL300000392872	0	32	-2.0	-104.08	332.17	5.15	-98.93
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1	REAL300000392873	0	34	-2.0	-100.06	349.54	5.73	-94.33
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1	REAL300000392874	0	33	-2.0	-115.28	331.06	2.78	-112.50
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1	REAL300000392875	0	35	-2.0	-106.34	343.52	5.84	-100.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CS2)=C1	REAL300000392876	0	35	-2.0	-111.75	331.42	5.70	-106.05
CC1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=CC(C(=O)[O-])=C1F	REAL300000392877	0	35	-2.0	-114.16	346.18	5.71	-108.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CS2)=C1	REAL300000392878	0	35	-2.0	-102.84	336.76	5.83	-97.01
CC1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=CC(C(=O)[O-])=C1C	REAL300000392879	0	38	-2.0	-118.80	354.22	6.13	-112.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=CC=C1[N+](=O)[O-]	REAL300000392880	0	34	-2.0	-113.29	347.91	6.15	-107.14
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1	REAL300000392881	0	32	-2.0	-104.27	333.08	5.18	-99.09
CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C(C)=C1C(=O)[O-]	REAL300000392882	0	38	-2.0	-115.98	355.83	6.45	-109.53
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000392883	0	35	-2.0	-114.07	342.84	5.66	-108.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1Cl	REAL300000392884	0	35	-2.0	-113.02	353.11	6.19	-106.83
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1	REAL300000392885	0	35	-2.0	-120.54	346.36	5.75	-114.79
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000392886	0	38	-2.0	-117.60	355.64	6.25	-111.35
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1CC(=O)[O-]	REAL300000392887	0	39	-2.0	-117.21	371.81	5.19	-112.02
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CS2)=C1	REAL300000392888	0	35	-2.0	-105.55	351.88	6.31	-99.24
CC1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000392889	0	35	-2.0	-113.06	352.57	6.03	-107.03
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000392890	0	36	-2.0	-115.26	349.37	5.28	-109.98
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000392891	0	35	-2.0	-108.77	351.21	6.02	-102.75
CC1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=CC=C1C(=O)[O-]	REAL300000392892	0	35	-2.0	-102.85	337.36	5.60	-97.25
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CS2)=C1	REAL300000392893	0	35	-2.0	-113.67	341.30	5.88	-107.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1[N+](=O)[O-]	REAL300000392894	0	34	-2.0	-122.79	345.09	6.92	-115.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1F	REAL300000392895	0	32	-2.0	-119.75	325.01	5.09	-114.66
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300000392896	0	35	-2.0	-106.99	342.51	5.63	-101.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=CC2=CC=CC=C21	REAL300000392897	0	38	-2.0	-123.94	362.39	7.19	-116.75
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C1	REAL300000392898	0	31	-2.0	-113.22	317.57	3.18	-110.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CS2)=C1	REAL300000392899	0	36	-2.0	-107.18	349.55	4.87	-102.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)=C(Cl)O1	REAL300000392900	0	29	-2.0	-102.52	321.49	4.03	-98.49
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NNC(C4=CC=CS4)=C3)C=C2)CC1	REAL300000392901	0	39	-2.0	-109.45	367.47	6.95	-102.50
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NNC(C4=CC=CS4)=C3)C=C2C1	REAL300000392902	0	39	-2.0	-113.27	366.79	6.95	-106.32
CCC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CS3)=C2)C=C(C(=O)[O-])O1	REAL300000392903	0	35	-2.0	-108.83	343.48	5.06	-103.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)=CC=C1F	REAL300000392904	0	35	-2.0	-110.80	349.10	6.47	-104.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)=CC=C1F	REAL300000392904	1	35	-2.0	-101.27	349.58	6.47	-94.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)C=C1	REAL300000392905	0	35	-2.0	-100.63	344.55	6.45	-94.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)C=C1	REAL300000392905	1	35	-2.0	-91.60	345.04	6.44	-85.16
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300000392906	0	35	-2.0	-113.50	344.57	6.44	-107.06
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)=C1	REAL300000392906	1	35	-2.0	-103.40	345.05	6.43	-96.97
CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)C=C1C(=O)[O-]	REAL300000392907	0	38	-2.0	-114.62	360.59	6.97	-107.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)C=C1C(=O)[O-]	REAL300000392907	1	38	-2.0	-104.38	361.07	6.97	-97.41
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300000392908	0	35	-2.0	-111.08	350.05	6.50	-104.58
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300000392909	0	32	-2.0	-107.46	337.76	5.46	-102.00
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)=C1	REAL300000392909	1	32	-2.0	-97.79	338.23	5.46	-92.33
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC(Cl)=C2)=C1	REAL300000392910	0	38	-2.0	-114.91	360.00	7.22	-107.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC(Cl)=C2)=NN1	REAL300000392910	1	38	-2.0	-103.96	360.48	7.22	-96.74
CN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)C=C1C(=O)[O-]	REAL300000392911	0	36	-2.0	-111.81	351.21	5.79	-106.02
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)C=C1C(=O)[O-]	REAL300000392911	1	36	-2.0	-101.96	351.70	5.78	-96.18
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300000392912	0	35	-2.0	-103.48	353.68	6.12	-97.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)=CS1	REAL300000392913	0	32	-2.0	-108.99	336.22	5.46	-103.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)=CS1	REAL300000392913	1	32	-2.0	-99.35	336.70	5.47	-93.88
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)C=C(C(=O)[O-])O1	REAL300000392914	0	35	-2.0	-107.26	347.57	5.58	-101.68
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)C=C(C(=O)[O-])O1	REAL300000392914	1	35	-2.0	-97.27	348.06	5.58	-91.69
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)C=C(C(=O)[O-])S1	REAL300000392915	0	35	-2.0	-111.12	353.19	6.33	-104.79
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)C=C(C(=O)[O-])S1	REAL300000392915	1	35	-2.0	-100.40	354.74	6.32	-94.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)C=C1F	REAL300000392916	0	35	-2.0	-99.90	349.11	6.48	-93.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)C=C1F	REAL300000392916	1	35	-2.0	-91.27	349.56	6.48	-84.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)S1	REAL300000392917	0	32	-2.0	-102.28	336.82	5.57	-96.71
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300000392918	0	35	-2.0	-104.08	350.97	6.51	-97.57
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)=C1	REAL300000392918	1	35	-2.0	-94.51	351.46	6.50	-88.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)C(F)=C1	REAL300000392919	0	35	-2.0	-99.94	350.03	6.51	-93.43
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300000392920	0	36	-2.0	-113.82	354.28	4.17	-109.65
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)=C1	REAL300000392920	1	36	-2.0	-102.53	354.76	4.16	-98.37
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)C=C1	REAL300000392921	0	38	-2.0	-104.61	366.74	7.23	-97.38
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)C=C1	REAL300000392921	1	38	-2.0	-94.48	367.23	7.22	-87.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC(Cl)=C2)=C1	REAL300000392922	0	38	-2.0	-109.19	354.63	7.08	-102.11
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC(Cl)=C2)=NN1	REAL300000392922	1	38	-2.0	-100.25	355.08	7.07	-93.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC(Cl)=C2)=C1	REAL300000392923	0	38	-2.0	-100.85	359.98	7.21	-93.64
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC(Cl)=C2)=NN1	REAL300000392923	1	38	-2.0	-91.81	360.46	7.21	-84.60
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)C=C1C(=O)[O-]	REAL300000392924	0	39	-2.0	-113.15	372.59	6.66	-106.49
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)C=C1C(=O)[O-]	REAL300000392924	1	39	-2.0	-103.13	373.07	6.66	-96.47
CC1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)=CC=C1C(=O)[O-]	REAL300000392925	0	38	-2.0	-102.28	364.62	7.09	-95.19
CC1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)=CC=C1C(=O)[O-]	REAL300000392925	1	38	-2.0	-91.59	361.06	6.98	-84.61
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)=C1F	REAL300000392926	0	35	-2.0	-117.08	348.23	6.48	-110.60
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300000392927	0	34	-2.0	-111.04	341.56	4.50	-106.54
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)=C1	REAL300000392927	1	34	-2.0	-100.80	341.26	4.56	-96.24
CCC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC(Cl)=C3)=C2)C=C(C(=O)[O-])O1	REAL300000392928	0	38	-2.0	-107.16	366.70	6.44	-100.72
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC(Cl)=C3)=NN2)C=C(C(=O)[O-])O1	REAL300000392928	1	38	-2.0	-96.96	367.17	6.43	-90.53
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=NN2)S1	REAL300000392929	0	35	-2.0	-113.12	347.76	5.90	-107.22
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=NN2)S1	REAL300000392930	0	35	-2.0	-102.92	343.22	5.88	-97.04
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=NN2)S1	REAL300000392931	0	35	-2.0	-115.93	343.23	5.87	-110.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=C(C)S2)=C1	REAL300000392932	0	39	-2.0	-121.62	371.37	5.68	-115.94
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=NN2)S1	REAL300000392933	0	39	-2.0	-102.50	374.69	7.17	-95.33
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=NN2)S1	REAL300000392934	0	38	-2.0	-117.09	359.25	6.41	-110.68
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=NN2)S1	REAL300000392935	0	41	-2.0	-118.60	376.33	7.21	-111.39
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=NN2)S1	REAL300000392936	0	35	-2.0	-113.19	348.71	5.94	-107.25
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=NN2)S1	REAL300000392937	0	41	-2.0	-101.82	386.80	7.46	-94.36
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=NN2)S1	REAL300000392938	0	32	-2.0	-109.79	336.42	4.90	-104.89
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=NN2)S1	REAL300000392939	0	38	-2.0	-116.77	358.66	6.66	-110.11
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=NN2)S1	REAL300000392940	0	39	-2.0	-101.18	374.31	6.16	-95.02
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=NN2)S1	REAL300000392941	0	36	-2.0	-114.20	349.88	5.22	-108.98
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)=NN2)S1	REAL300000392942	0	39	-2.0	-117.44	367.02	4.72	-112.72
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=NN2)S1	REAL300000392943	0	35	-2.0	-105.83	352.35	5.56	-100.27
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=NN2)S1	REAL300000392944	0	41	-2.0	-119.30	378.68	7.29	-112.01
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=NN2)S1	REAL300000392945	0	32	-2.0	-111.37	334.88	4.90	-106.47
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=C(C)S3)=C2)C=C1C(=O)[O-]	REAL300000392946	0	39	-2.0	-121.76	370.52	5.94	-115.82
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=C(C)S2)=C1	REAL300000392947	0	41	-2.0	-115.07	373.38	7.60	-107.47
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=NN2)S1	REAL300000392948	0	35	-2.0	-109.19	346.23	5.02	-104.17
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=NN2)S1	REAL300000392949	0	39	-2.0	-116.94	372.22	4.96	-111.98
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=NN2)S1	REAL300000392950	0	38	-2.0	-106.97	363.94	6.69	-100.28
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=NN2)S1	REAL300000392951	0	35	-2.0	-112.78	352.90	5.76	-107.02
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=NN2)S1	REAL300000392952	0	35	-2.0	-100.48	356.28	6.43	-94.05
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=NN2)S1	REAL300000392953	0	35	-2.0	-102.20	347.77	5.91	-96.29
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=NN2)S1	REAL300000392954	0	32	-2.0	-104.60	335.49	5.00	-99.60
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=NN2)S1	REAL300000392955	0	35	-2.0	-106.46	349.63	5.94	-100.52
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=NN2)S1	REAL300000392956	0	38	-2.0	-114.59	368.99	6.58	-108.01
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=NN2)S1	REAL300000392957	0	35	-2.0	-102.37	348.69	5.94	-96.43
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=NN2)S1	REAL300000392958	0	35	-2.0	-100.34	355.73	6.28	-94.06
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=NN2)S1	REAL300000392959	0	36	-2.0	-115.50	352.94	3.60	-111.90
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=NN2)S1	REAL300000392960	0	38	-2.0	-106.58	365.40	6.66	-99.92
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=NN2)S1	REAL300000392961	0	38	-2.0	-112.03	353.28	6.52	-105.51
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=NN2)S1	REAL300000392962	0	38	-2.0	-114.50	368.06	6.52	-107.98
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=NN2)S1	REAL300000392963	0	38	-2.0	-103.03	358.64	6.64	-96.39
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=NN2)S1	REAL300000392964	0	41	-2.0	-120.44	380.03	7.04	-113.40
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=NN2)S1	REAL300000392965	0	35	-2.0	-104.56	354.96	6.00	-98.56
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=NN2)S1	REAL300000392966	0	41	-2.0	-116.16	377.71	7.25	-108.91
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=NN2)S1	REAL300000392967	0	38	-2.0	-114.34	364.72	6.47	-107.87
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=NN2)S1	REAL300000392968	0	38	-2.0	-120.88	368.24	6.56	-114.32
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=C(C)S3)=C2)C=C1C(=O)[O-]	REAL300000392969	0	41	-2.0	-117.84	377.52	7.06	-110.78
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=C(C)S3)=C2)C=C1C(=O)[O-]	REAL300000392970	0	39	-2.0	-115.59	371.26	6.09	-109.50
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=NN2)S1	REAL300000392971	0	38	-2.0	-103.08	359.25	6.42	-96.66
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=NN2)S1	REAL300000392972	0	38	-2.0	-114.12	362.77	6.72	-107.40
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=NN2)S1	REAL300000392973	0	35	-2.0	-120.07	346.89	5.91	-114.16
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=NN2)S1	REAL300000392974	0	38	-2.0	-107.29	364.39	6.44	-100.85
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=NN2)S1	REAL300000392975	0	34	-2.0	-113.48	339.45	4.00	-109.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C2=CC=C(C)S2)=C1	REAL300000392976	0	39	-2.0	-107.38	371.43	5.68	-101.70
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=NN2)S1	REAL300000392977	0	32	-2.0	-102.95	343.37	4.85	-98.10
CCC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=C(C)S3)=C2)C=C(C(=O)[O-])O1	REAL300000392978	0	38	-2.0	-109.02	365.35	5.88	-103.14
CC1=CC(C)=CC(C2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=NN2)=C1	REAL300000392979	0	41	-2.0	-113.51	375.17	7.28	-106.23
CC1=CC(C)=CC(C2=NNC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)=C1	REAL300000392979	1	41	-2.0	-104.10	375.67	7.28	-96.82
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=NN2)=CC(C)=C1	REAL300000392980	0	41	-2.0	-103.19	370.63	7.26	-95.93
CC1=CC(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=CC(C)=C1	REAL300000392980	1	41	-2.0	-94.23	371.11	7.26	-86.97
CC1=CC(C)=CC(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=NN2)=C1	REAL300000392981	0	41	-2.0	-116.31	370.64	7.25	-109.06
CC1=CC(C)=CC(C2=NNC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300000392981	1	41	-2.0	-106.34	371.13	7.25	-99.09
CC1=CC(C)=CC(C2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=NN2)=C1	REAL300000392982	0	45	-2.0	-102.81	402.09	8.55	-94.26
CC1=CC(C)=CC(C2=NNC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)=C1	REAL300000392982	1	45	-2.0	-94.15	402.59	8.54	-85.61
CC1=CC(C)=CC(C2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=NN2)=C1	REAL300000392983	0	44	-2.0	-118.90	390.71	7.90	-111.00
CC1=CC(C)=CC(C2=NNC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2)=C1	REAL300000392983	1	44	-2.0	-107.34	387.14	7.78	-99.56
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=NN2)=CC(C)=C1	REAL300000392984	0	47	-2.0	-119.10	403.75	8.59	-110.51
CC1=CC(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=C2)=CC(C)=C1	REAL300000392984	1	47	-2.0	-108.88	403.79	8.60	-100.28
CC1=CC(C)=CC(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=NN2)=C1	REAL300000392985	0	41	-2.0	-113.67	376.12	7.32	-106.35
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=NN2)=CC(C)=C1	REAL300000392986	0	47	-2.0	-102.24	414.21	8.84	-93.40
CC1=CC(C2=NNC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2)=CC(C)=C1	REAL300000392986	1	47	-2.0	-93.37	414.71	8.84	-84.53
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=NN2)=CC(C)=C1	REAL300000392987	0	38	-2.0	-110.19	363.83	6.28	-103.91
CC1=CC(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=CC(C)=C1	REAL300000392987	1	38	-2.0	-100.56	364.31	6.27	-94.29
CC1=CC(C)=CC(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=NN2)=C1	REAL300000392988	0	44	-2.0	-117.32	386.08	8.04	-109.28
CC1=CC(C)=CC(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2)=C1	REAL300000392988	1	44	-2.0	-106.97	386.56	8.03	-98.94
CC1=CC(C)=CC(C2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=NN2)=C1	REAL300000392989	0	42	-2.0	-114.62	377.29	6.61	-108.01
CC1=CC(C)=CC(C2=NNC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=C1	REAL300000392989	1	42	-2.0	-104.73	377.77	6.60	-98.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC(C3=CC(C)=CC(C)=C3)=C2)=C1	REAL300000392990	0	41	-2.0	-106.20	379.76	6.94	-99.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C3=CC(C)=CC(C)=C3)=NN2)=C1	REAL300000392990	1	41	-2.0	-96.73	380.24	6.93	-89.80
CC1=CC(C)=CC(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=NN2)=C1	REAL300000392991	0	47	-2.0	-118.65	402.09	8.57	-110.08
CC1=CC(C)=CC(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=C2)=C1	REAL300000392991	1	47	-2.0	-108.11	402.58	8.57	-99.54
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=NN2)=CC(C)=C1	REAL300000392992	0	38	-2.0	-111.75	362.29	6.28	-105.47
CC1=CC(C2=NNC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=CC(C)=C1	REAL300000392992	1	38	-2.0	-102.16	362.78	6.28	-95.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC(C)=CC(C)=C2)=C1	REAL300000392993	0	47	-2.0	-115.66	400.80	8.98	-106.68
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC(C)=CC(C)=C2)=NN1	REAL300000392993	1	47	-2.0	-105.45	401.25	8.98	-96.47
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC(C)=CC(C)=C3)=C2)C=C(C(=O)[O-])O1	REAL300000392994	0	41	-2.0	-109.63	373.65	6.40	-103.23
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC(C)=CC(C)=C3)=NN2)C=C(C(=O)[O-])O1	REAL300000392994	1	41	-2.0	-99.92	374.13	6.39	-93.53
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC(C)=CC(C)=C3)=C2)C=C(C(=O)[O-])S1	REAL300000392995	0	41	-2.0	-113.46	379.27	7.14	-106.32
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC(C)=CC(C)=C3)=NN2)C=C(C(=O)[O-])S1	REAL300000392995	1	41	-2.0	-103.34	380.82	7.13	-96.21
CC1=CC(C)=CC(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=NN2)=C1	REAL300000392996	0	41	-2.0	-102.47	375.18	7.29	-95.18
CC1=CC(C)=CC(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)=C1	REAL300000392996	1	41	-2.0	-93.84	375.64	7.29	-86.55
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=NN2)=CC(C)=C1	REAL300000392997	0	38	-2.0	-104.86	362.90	6.38	-98.48
CC1=CC(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=CC(C)=C1	REAL300000392997	1	38	-2.0	-95.58	363.38	6.38	-89.20
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=NN2)=CC(C)=C1	REAL300000392998	0	41	-2.0	-106.79	377.05	7.32	-99.47
CC1=CC(C2=NNC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)=CC(C)=C1	REAL300000392998	1	41	-2.0	-97.29	377.54	7.32	-89.97
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=NN2)=CC(C)=C1	REAL300000392999	0	41	-2.0	-102.68	376.11	7.32	-95.36
CC1=CC(C)=CC(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=NN2)=C1	REAL300000393000	0	42	-2.0	-116.09	380.36	4.98	-111.11
CC1=CC(C)=CC(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)=C1	REAL300000393000	1	42	-2.0	-105.70	380.84	4.95	-100.75
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=NN2)=CC(C)=C1	REAL300000393001	0	44	-2.0	-107.07	392.81	8.04	-99.03
CC1=CC(C2=NNC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)=CC(C)=C1	REAL300000393001	1	44	-2.0	-97.44	393.31	8.03	-89.41
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=NN2)=CC(C)=C1	REAL300000393002	0	44	-2.0	-112.42	380.71	7.89	-104.53
CC1=CC(C2=NNC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)=CC(C)=C1	REAL300000393002	1	44	-2.0	-103.02	381.16	7.89	-95.13
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=NN2)=CC(C)=C1	REAL300000393003	0	44	-2.0	-103.35	386.06	8.02	-95.33
CC1=CC(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=C2)=CC(C)=C1	REAL300000393003	1	44	-2.0	-94.48	386.54	8.02	-86.46
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=NN2)=CC(C)=C1	REAL300000393004	0	47	-2.0	-120.93	407.45	8.42	-112.51
CC1=CC(C2=NNC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=C2)=CC(C)=C1	REAL300000393004	1	47	-2.0	-109.04	404.59	8.33	-100.71
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=NN2)=CC(C)=C1	REAL300000393005	0	47	-2.0	-116.58	405.12	8.64	-107.94
CC1=CC(C2=NNC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=C2)=CC(C)=C1	REAL300000393005	1	47	-2.0	-107.11	405.60	8.64	-98.47
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC(C)=CC(C)=C3)=C2)C=C1C(=O)[O-]	REAL300000393006	0	47	-2.0	-118.36	404.61	8.44	-109.92
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC(C)=CC(C)=C3)=NN2)C=C1C(=O)[O-]	REAL300000393006	1	47	-2.0	-107.99	405.45	8.44	-99.55
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC(C)=CC(C)=C3)=C2)C=C1C(=O)[O-]	REAL300000393007	0	45	-2.0	-115.93	398.67	7.48	-108.45
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=CC(C)=CC(C)=C3)=NN2)C=C1C(=O)[O-]	REAL300000393007	1	45	-2.0	-106.04	399.07	7.46	-98.58
CC1=CC(C)=CC(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=NN2)=C1	REAL300000393008	0	44	-2.0	-104.94	390.70	7.90	-97.04
CC1=CC(C)=CC(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2)=C1	REAL300000393008	1	44	-2.0	-94.25	387.13	7.79	-86.46
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=NN2)=CC(C)=C1	REAL300000393009	0	41	-2.0	-120.42	374.30	7.29	-113.13
CC1=CC(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=NN2)=CC(C)=C1	REAL300000393010	0	40	-2.0	-113.90	366.86	5.38	-108.52
CC1=CC(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=CC(C)=C1	REAL300000393010	1	40	-2.0	-102.90	368.10	5.30	-97.60
CC1=CC(C2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=NN2)=CC(C)=C1	REAL300000393011	0	38	-2.0	-103.33	370.75	6.22	-97.11
CC1=CC(C2=NNC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)=CC(C)=C1	REAL300000393011	1	38	-2.0	-94.01	371.23	6.21	-87.80
CCC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC(C)=CC(C)=C3)=C2)C=C(C(=O)[O-])O1	REAL300000393012	0	44	-2.0	-109.42	392.78	7.26	-102.16
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=CC(C)=CC(C)=C3)=NN2)C=C(C(=O)[O-])O1	REAL300000393012	1	44	-2.0	-99.75	393.25	7.24	-92.51
CC1=CC(=O)NC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000393045	0	34	-2.0	-110.26	312.37	2.81	-107.45
CC1=CC(=O)NC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000393076	0	32	-2.0	-102.98	292.27	0.89	-102.09
CC1=CC(=O)NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000393084	1	31	-2.0	-88.01	302.62	2.71	-85.30
CC1=CC(=O)NC=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000393085	1	28	-2.0	-86.77	302.98	2.31	-84.46
CC1=CC(=O)NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000393098	0	31	-2.0	-87.26	316.49	3.14	-84.12
CC1=CC(=O)NC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000393112	1	28	-2.0	-87.95	290.98	1.55	-86.40
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000393118	0	36	-2.0	-96.97	350.28	2.80	-94.17
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000393119	0	29	-2.0	-113.62	298.35	4.24	-109.38
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393120	0	37	-2.0	-113.40	353.47	5.31	-108.09
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=N1	REAL300000393121	0	29	-2.0	-110.32	310.23	4.93	-105.39
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000393122	0	29	-2.0	-103.77	293.79	4.22	-99.55
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000393123	0	29	-2.0	-116.00	293.81	4.21	-111.79
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393124	0	33	-2.0	-120.20	321.95	4.02	-116.18
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=N1	REAL300000393125	0	29	-2.0	-111.47	310.06	4.70	-106.77
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000393126	0	33	-2.0	-103.03	325.27	5.51	-97.52
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C1C(=O)[O-]	REAL300000393127	0	32	-2.0	-116.98	309.83	4.74	-112.24
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000393128	0	29	-2.0	-110.95	306.88	4.78	-106.17
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000393129	0	29	-2.0	-111.97	306.33	4.60	-107.37
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=N1	REAL300000393130	0	29	-2.0	-106.67	319.37	5.16	-101.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=C1C	REAL300000393131	0	35	-2.0	-117.79	326.48	5.57	-112.22
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000393132	0	29	-2.0	-112.61	299.29	4.27	-108.34
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000393133	0	35	-2.0	-102.56	337.39	5.80	-96.76
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000393134	0	26	-2.0	-110.40	287.00	3.24	-107.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393135	0	32	-2.0	-115.67	309.23	5.00	-110.67
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000393136	0	33	-2.0	-101.73	324.89	4.50	-97.23
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=N1	REAL300000393137	0	40	-2.0	-98.44	370.65	5.27	-93.17
CN1C=C(C#N)C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=N1	REAL300000393138	0	26	-2.0	-106.68	303.99	3.99	-102.69
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000393139	0	30	-2.0	-114.36	300.46	3.57	-110.79
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393140	0	33	-2.0	-116.54	317.60	3.06	-113.48
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=C1	REAL300000393141	0	29	-2.0	-106.71	302.92	3.90	-102.81
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C1C(=O)[O-]	REAL300000393142	0	35	-2.0	-116.91	325.26	5.53	-111.38
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000393143	0	26	-2.0	-111.74	285.47	3.23	-108.51
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=CC(C(=O)[O-])=C1OC	REAL300000393144	0	37	-2.0	-116.25	352.18	4.01	-112.24
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C1C(=O)[O-]	REAL300000393145	0	33	-2.0	-121.72	321.10	4.28	-117.44
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000393146	0	39	-2.0	-119.50	349.04	6.85	-112.65
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393147	0	38	-2.0	-117.83	347.73	6.22	-111.61
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393148	0	35	-2.0	-113.85	323.97	5.93	-107.92
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393149	0	36	-2.0	-119.56	344.22	4.79	-114.77
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000393150	0	31	-3.0	-191.88	322.21	4.78	-187.10
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000393151	0	36	-2.0	-119.85	338.06	6.10	-113.75
CC1=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000393152	0	29	-2.0	-109.52	296.80	3.36	-106.16
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000393153	0	35	-2.0	-120.89	335.98	3.98	-116.91
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=C1	REAL300000393154	0	33	-2.0	-117.97	322.75	3.31	-114.66
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000393155	0	37	-2.0	-103.03	347.45	4.83	-98.20
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000393156	0	29	-2.0	-105.72	321.50	5.06	-100.66
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000393157	0	29	-2.0	-107.81	311.40	4.80	-103.01
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300000393158	0	33	-2.0	-100.32	340.93	5.04	-95.28
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=CC=C1OCC(=O)[O-]	REAL300000393159	0	36	-2.0	-102.25	344.97	5.20	-97.05
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=N1	REAL300000393160	0	39	-2.0	-100.74	373.56	5.46	-95.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393161	0	32	-2.0	-106.65	314.53	5.03	-101.62
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=CC=C1OCCCC(=O)[O-]	REAL300000393162	0	42	-2.0	-102.01	387.42	6.13	-95.88
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000393163	0	33	-2.0	-101.29	331.12	4.56	-96.73
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)=N1	REAL300000393164	0	39	-2.0	-100.37	383.36	5.95	-94.42
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C1C(=O)[O-]	REAL300000393165	0	36	-2.0	-122.55	343.00	5.18	-117.37
CC1=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C(C(=O)[O-])S1	REAL300000393166	0	29	-2.0	-112.41	303.50	4.09	-108.32
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300000393167	0	29	-2.0	-104.92	322.03	5.23	-99.69
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000393168	0	29	-2.0	-101.38	306.86	4.77	-96.61
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=N1	REAL300000393169	0	29	-2.0	-100.90	310.21	4.93	-95.97
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000393170	0	29	-2.0	-103.35	298.34	4.25	-99.10
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000393171	0	26	-2.0	-105.50	286.06	3.34	-102.16
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000393172	0	29	-2.0	-106.99	300.21	4.28	-102.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=C1F	REAL300000393173	0	32	-2.0	-113.74	319.54	4.92	-108.82
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=C(Cl)C=C1C(=O)[O-]	REAL300000393174	0	33	-2.0	-106.01	334.10	4.84	-101.17
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000393175	0	29	-2.0	-103.27	299.27	4.28	-98.99
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000393176	0	29	-2.0	-101.45	306.31	4.61	-96.84
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393177	0	32	-2.0	-108.21	323.26	5.41	-102.80
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393178	0	32	-2.0	-106.54	324.64	5.50	-101.04
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000393179	0	37	-2.0	-99.62	357.55	5.62	-94.00
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=N1	REAL300000393180	0	29	-2.0	-100.96	310.05	4.71	-96.25
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000393181	0	29	-2.0	-105.24	304.64	4.30	-100.94
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000393182	0	31	-2.0	-101.09	322.00	4.88	-96.21
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000393183	0	29	-3.0	-212.15	299.96	2.80	-209.35
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000393183	1	30	-2.0	-114.22	303.52	1.92	-112.30
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C1C(=O)[O-]	REAL300000393184	0	32	-2.0	-109.75	327.69	5.27	-104.48
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000393185	0	32	-2.0	-108.83	315.99	5.00	-103.83
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000393186	0	29	-2.0	-106.71	314.53	4.74	-101.97
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393187	0	32	-2.0	-113.01	303.89	4.85	-108.16
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393188	0	32	-2.0	-108.75	327.28	5.50	-103.25
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=CC(C(=O)[O-])=C1F	REAL300000393189	0	32	-2.0	-114.84	318.64	4.86	-109.98
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393190	0	32	-2.0	-103.71	309.19	5.00	-98.71
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=CC(C(=O)[O-])=C1C	REAL300000393191	0	35	-2.0	-120.40	330.59	5.38	-115.02
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000393192	0	31	-2.0	-114.45	320.39	5.31	-109.14
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000393193	0	29	-2.0	-104.59	305.57	4.34	-100.25
CN1C=C(C#N)C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=N1	REAL300000393194	0	26	-2.0	-103.65	306.39	3.90	-99.75
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C(C)=C1C(=O)[O-]	REAL300000393195	0	35	-2.0	-117.20	328.29	5.60	-111.60
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C1C(=O)[O-]	REAL300000393196	0	32	-2.0	-114.60	319.16	4.90	-109.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=C1Cl	REAL300000393197	0	32	-2.0	-112.39	325.54	5.35	-107.04
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=C1	REAL300000393198	0	32	-2.0	-121.62	318.86	4.90	-116.72
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C1C(=O)[O-]	REAL300000393199	0	35	-2.0	-117.66	328.11	5.40	-112.26
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C1CC(=O)[O-]	REAL300000393200	0	36	-2.0	-116.83	344.28	4.34	-112.49
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393201	0	32	-2.0	-106.14	320.09	5.39	-100.75
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300000393202	0	32	-2.0	-100.28	323.93	5.02	-95.26
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=CC(C(=O)[O-])=C1Cl	REAL300000393203	0	32	-2.0	-113.54	325.03	5.17	-108.37
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300000393204	0	29	-2.0	-108.85	315.10	4.82	-104.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=C1Br	REAL300000393205	0	32	-2.0	-111.97	328.37	5.50	-106.47
CCN1C=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C1C(=O)[O-]	REAL300000393206	0	33	-2.0	-115.73	321.74	4.42	-111.31
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C(C)=C1CC(=O)[O-]	REAL300000393207	0	41	-2.0	-117.35	358.96	7.09	-110.26
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=N1	REAL300000393208	0	29	-2.0	-103.35	319.42	4.77	-98.58
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=N1	REAL300000393209	0	33	-2.0	-102.79	338.51	4.51	-98.28
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C1C(=O)[O-]	REAL300000393210	0	32	-2.0	-109.26	323.67	5.18	-104.08
CN1C=C(C#N)C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=N1	REAL300000393211	0	38	-2.0	-112.11	343.24	6.29	-105.82
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C1C(=O)[O-]	REAL300000393212	0	33	-2.0	-116.33	334.13	4.84	-111.49
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)=CC=C1C(=O)[O-]	REAL300000393213	0	32	-2.0	-103.85	309.80	4.76	-99.09
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000393214	0	34	-2.0	-107.50	337.08	6.42	-101.08
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393215	0	32	-2.0	-113.08	313.73	5.04	-108.04
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000393216	0	31	-2.0	-123.86	317.56	6.07	-117.79
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000393217	0	29	-2.0	-121.10	297.47	4.25	-116.85
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C1C(=O)[O-]	REAL300000393218	0	32	-2.0	-107.66	314.97	4.78	-102.88
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000393219	0	35	-2.0	-124.26	334.85	6.34	-117.92
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000393220	0	28	-2.0	-113.75	290.02	2.33	-111.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C=C1C#N	REAL300000393221	0	33	-2.0	-107.67	321.99	4.02	-103.65
CN1C=C(C#N)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000393222	0	26	-2.0	-103.78	293.92	3.17	-100.61
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300000393223	0	33	-2.0	-111.24	337.59	4.76	-106.48
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=N1	REAL300000393224	0	32	-2.0	-107.56	337.14	1.25	-106.31
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000393225	0	36	-2.0	-109.61	339.93	6.10	-103.51
CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000393226	0	36	-2.0	-114.89	339.25	6.10	-108.79
CCC1=C(S(=O)(=O)[N-]C2=NN(C)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000393227	0	32	-2.0	-109.06	315.92	4.22	-104.84
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000393228	0	37	-2.0	-109.15	341.60	5.89	-103.26
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000393229	0	37	-2.0	-99.83	338.02	5.88	-93.95
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000393230	0	37	-2.0	-111.28	336.70	5.84	-105.44
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1C#N	REAL300000393231	0	41	-2.0	-114.64	364.85	5.64	-109.00
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000393232	0	41	-2.0	-97.79	367.86	7.14	-90.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)C=C1C(=O)[O-]	REAL300000393233	0	40	-2.0	-112.80	352.33	6.37	-106.43
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000393234	0	37	-2.0	-106.28	351.12	6.45	-99.83
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000393235	0	37	-2.0	-107.13	348.93	6.23	-100.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)=C1C	REAL300000393236	0	43	-2.0	-113.01	370.71	7.22	-105.79
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000393237	0	37	-2.0	-107.65	343.51	5.94	-101.71
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000393238	0	43	-2.0	-97.46	381.61	7.47	-89.99
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000393239	0	34	-2.0	-106.06	330.25	4.88	-101.18
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1C#N	REAL300000393240	0	40	-2.0	-111.10	353.46	6.65	-104.45
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000393241	0	41	-2.0	-96.95	369.12	6.16	-90.79
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000393242	0	38	-2.0	-110.10	343.71	5.20	-104.90
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1C#N	REAL300000393243	0	41	-2.0	-111.30	360.83	4.69	-106.61
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)=C1	REAL300000393244	0	37	-2.0	-102.39	345.52	5.52	-96.87
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)C=C1C(=O)[O-]	REAL300000393245	0	43	-2.0	-111.90	368.21	7.16	-104.74
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000393246	0	34	-2.0	-107.76	329.70	4.91	-102.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)C=C1C(=O)[O-]	REAL300000393247	0	41	-2.0	-117.56	364.35	5.93	-111.63
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000393248	0	47	-2.0	-114.77	393.27	8.50	-106.27
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1C#N	REAL300000393249	0	46	-2.0	-112.74	390.96	7.87	-104.87
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1C#N	REAL300000393250	0	43	-2.0	-108.48	366.55	7.56	-100.92
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1C#N	REAL300000393251	0	44	-2.0	-117.20	388.51	6.44	-110.76
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000393252	0	39	-3.0	-189.94	366.45	6.44	-183.50
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000393253	0	44	-2.0	-115.08	382.30	7.77	-107.31
CC1=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)C=C(C(=O)[O-])O1	REAL300000393254	0	37	-2.0	-104.88	340.07	4.99	-99.89
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)=C1	REAL300000393255	0	41	-2.0	-114.51	365.98	4.95	-109.56
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000393256	0	37	-2.0	-102.86	354.00	6.43	-96.43
CC1=CC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)=CC=C1OCC(=O)[O-]	REAL300000393257	0	44	-2.0	-97.55	388.22	6.85	-90.70
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1C#N	REAL300000393258	0	40	-2.0	-101.88	358.75	6.68	-95.20
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000393259	0	41	-2.0	-96.56	374.36	6.21	-90.35
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)C=C1C(=O)[O-]	REAL300000393260	0	44	-2.0	-118.22	386.25	6.83	-111.39
CC1=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)C=C(C(=O)[O-])S1	REAL300000393261	0	37	-2.0	-107.45	346.74	5.75	-101.70
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000393262	0	37	-2.0	-97.12	349.84	6.42	-90.70
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000393263	0	37	-2.0	-99.01	341.58	5.90	-93.11
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000393264	0	34	-2.0	-100.84	328.69	4.97	-95.87
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000393265	0	37	-2.0	-102.58	344.46	5.94	-96.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)=C1F	REAL300000393266	0	40	-2.0	-109.34	362.52	6.56	-102.78
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000393267	0	37	-2.0	-99.17	342.25	5.93	-93.24
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000393268	0	37	-2.0	-97.07	349.56	6.26	-90.81
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1C#N	REAL300000393269	0	40	-2.0	-103.89	367.50	7.07	-96.82
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000393270	0	37	-2.0	-101.21	348.86	5.97	-95.24
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000393271	0	39	-2.0	-96.44	364.62	6.51	-89.93
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000393272	0	37	-3.0	-209.98	343.20	4.45	-205.53
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000393272	1	38	-2.0	-109.03	347.75	3.59	-105.44
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000393273	0	40	-2.0	-101.35	358.58	6.63	-94.72
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000393274	0	37	-2.0	-102.31	357.49	6.39	-95.92
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1C#N	REAL300000393275	0	40	-2.0	-108.54	346.75	6.48	-102.06
CC1=CC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)=CC(C(=O)[O-])=C1F	REAL300000393276	0	40	-2.0	-110.55	362.88	6.53	-104.02
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1C#N	REAL300000393277	0	40	-2.0	-99.42	351.83	6.60	-92.82
CC1=CC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)=CC(C(=O)[O-])=C1C	REAL300000393278	0	43	-2.0	-114.48	370.52	6.95	-107.53
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000393279	0	39	-2.0	-109.99	363.45	6.89	-103.10
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000393280	0	37	-2.0	-100.35	349.77	6.00	-94.35
CC1=CC=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)C(C)=C1C(=O)[O-]	REAL300000393281	0	43	-2.0	-113.61	369.91	7.24	-106.37
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)C=C1C(=O)[O-]	REAL300000393282	0	40	-2.0	-109.93	362.42	6.55	-103.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)=C1Cl	REAL300000393283	0	40	-2.0	-107.72	369.81	7.02	-100.70
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)=C1	REAL300000393284	0	40	-2.0	-117.55	361.42	6.54	-111.01
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)C=C1C(=O)[O-]	REAL300000393285	0	43	-2.0	-112.96	370.35	7.02	-105.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)C=C1CC(=O)[O-]	REAL300000393286	0	44	-2.0	-112.09	387.54	5.99	-106.10
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1C#N	REAL300000393287	0	40	-2.0	-102.47	364.33	7.05	-95.42
CC1=CC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)=CC(C(=O)[O-])=C1Cl	REAL300000393288	0	40	-2.0	-109.37	368.01	6.82	-102.55
CCN1C=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)C=C1C(=O)[O-]	REAL300000393289	0	41	-2.0	-111.45	366.00	6.08	-105.37
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)C=C1C(=O)[O-]	REAL300000393290	0	40	-2.0	-105.35	366.67	6.83	-98.52
CC1=CC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)=CC=C1C(=O)[O-]	REAL300000393291	0	40	-2.0	-99.64	354.07	6.42	-93.22
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1C#N	REAL300000393292	0	40	-2.0	-108.52	356.58	6.70	-101.82
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000393293	0	39	-2.0	-120.44	361.77	7.73	-112.71
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000393294	0	37	-2.0	-116.64	340.06	5.87	-110.77
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)C=C1C(=O)[O-]	REAL300000393295	0	40	-2.0	-103.62	357.98	6.43	-97.19
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000393296	0	43	-2.0	-119.92	378.15	7.98	-111.94
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000393297	0	36	-2.0	-109.44	334.26	4.01	-105.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1C#N	REAL300000393298	0	41	-2.0	-102.96	364.87	5.66	-97.30
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000393299	0	34	-2.0	-99.42	336.90	4.83	-94.59
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000393300	0	44	-2.0	-104.95	384.17	7.76	-97.19
CN(C)C1=CC=C(C#N)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000393301	0	44	-2.0	-110.54	380.78	7.72	-102.82
CCC1=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2C#N)C=C(C(=O)[O-])O1	REAL300000393302	0	40	-2.0	-105.01	360.20	5.87	-99.14
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393303	0	44	-2.0	-120.17	393.26	6.58	-113.59
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000393304	0	43	-2.0	-114.79	374.40	5.77	-109.02
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000393306	0	38	-2.0	-124.81	346.98	6.18	-118.63
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000393307	0	40	-3.0	-170.98	371.95	5.63	-165.35
COC1=CC=C(CCC(=O)[O-])C=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000393307	1	41	-2.0	-109.51	369.37	5.52	-103.99
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000393308	0	37	-2.0	-105.84	350.34	4.54	-101.30
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000393309	0	39	-2.0	-112.06	359.29	6.31	-105.75
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000393310	0	39	-2.0	-107.88	359.29	6.32	-101.56
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000393311	0	38	-2.0	-112.54	360.71	6.50	-106.04
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000393312	0	39	-2.0	-123.17	356.59	6.19	-116.98
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000393313	0	40	-3.0	-183.71	371.48	6.50	-177.21
COC1=CC=C(CCC(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000393313	1	41	-2.0	-132.87	368.96	6.41	-126.46
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300000393314	0	43	-2.0	-114.44	382.68	7.11	-107.33
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000393315	0	48	-2.0	-118.84	401.19	8.41	-110.43
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000393316	0	40	-3.0	-170.86	366.93	6.48	-164.38
COC1=CC=C(CCC(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000393316	1	41	-2.0	-107.99	366.90	6.45	-101.54
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393317	0	46	-2.0	-125.85	396.22	5.00	-120.85
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300000393318	0	46	-2.0	-114.65	397.21	5.12	-109.53
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000393319	0	45	-2.0	-118.95	384.00	7.83	-111.12
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)ON=C1C	REAL300000393320	0	40	-2.0	-105.27	353.40	4.85	-100.42
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000393321	0	40	-3.0	-187.76	366.94	6.48	-181.28
COC1=CC=C(CCC(=O)[O-])C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000393321	1	41	-2.0	-101.38	366.93	6.44	-94.94
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000393322	0	38	-2.0	-105.77	351.19	6.04	-99.73
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1	REAL300000393323	0	41	-2.0	-117.90	359.88	6.59	-111.31
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000393325	0	38	-2.0	-113.03	355.20	6.45	-106.58
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300000393326	0	43	-2.0	-114.39	378.96	6.32	-108.07
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C	REAL300000393327	0	44	-2.0	-117.75	375.38	7.36	-110.39
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C)=C1	REAL300000393328	0	44	-2.0	-118.70	376.89	7.13	-111.57
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000393329	0	38	-2.0	-106.00	361.07	6.48	-99.52
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300000393330	0	43	-2.0	-127.00	378.96	6.31	-120.69
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C	REAL300000393331	0	44	-2.0	-116.75	375.38	7.36	-109.39
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300000393332	0	50	-2.0	-116.27	414.69	8.24	-108.03
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300000393333	0	47	-2.0	-116.19	398.71	7.85	-108.34
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1	REAL300000393334	0	50	-2.0	-115.96	417.16	8.51	-107.45
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000393335	0	35	-2.0	-108.31	347.46	5.53	-102.78
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1	REAL300000393336	0	47	-2.0	-116.18	402.89	8.14	-108.04
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC	REAL300000393337	0	42	-2.0	-123.86	366.74	5.70	-118.16
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000393338	0	43	-3.0	-189.54	382.96	7.01	-182.53
COC1=CC=C(CCC(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000393338	1	44	-2.0	-102.08	386.91	7.09	-94.99
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000393339	0	38	-2.0	-108.87	356.54	6.11	-102.76
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000393340	0	38	-2.0	-117.06	351.61	6.48	-110.58
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000393341	0	40	-2.0	-113.40	366.69	6.60	-106.80
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300000393342	0	43	-2.0	-114.04	382.19	7.37	-106.67
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000393343	0	35	-2.0	-114.70	330.40	4.92	-109.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1	REAL300000393344	0	42	-2.0	-114.10	367.98	5.21	-108.89
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000393345	0	40	-2.0	-127.02	357.00	7.30	-119.72
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1	REAL300000393346	0	41	-2.0	-117.06	359.89	6.59	-110.47
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1	REAL300000393347	0	45	-2.0	-113.91	389.81	6.15	-107.76
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000393348	0	38	-2.0	-111.72	350.38	6.05	-105.67
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000393349	0	38	-2.0	-113.23	344.88	5.99	-107.24
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000393350	0	38	-2.0	-106.48	351.29	6.06	-100.42
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300000393351	0	50	-2.0	-116.65	401.99	8.61	-108.04
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000393352	0	44	-2.0	-116.70	382.96	5.08	-111.62
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300000393353	0	47	-2.0	-116.53	390.32	8.28	-108.25
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000393354	0	38	-2.0	-109.51	355.22	6.44	-103.07
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000393355	0	40	-2.0	-103.52	366.71	6.59	-96.93
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000393356	0	38	-2.0	-116.95	338.47	5.92	-111.03
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300000393357	0	45	-2.0	-122.25	394.84	4.80	-117.45
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)S1	REAL300000393358	0	38	-2.0	-115.79	352.30	5.71	-110.08
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300000393359	0	42	-2.0	-116.11	383.46	6.24	-109.87
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000393360	0	40	-3.0	-186.33	372.41	6.55	-179.78
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300000393361	0	43	-2.0	-109.70	376.71	7.19	-102.51
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000393362	0	38	-2.0	-115.82	350.38	6.06	-109.76
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000393363	0	42	-2.0	-110.74	374.23	2.73	-108.01
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(SC)C=C1	REAL300000393364	0	42	-2.0	-113.96	378.69	6.94	-107.02
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000393365	0	43	-2.0	-112.27	380.49	4.37	-107.90
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000393366	0	37	-3.0	-180.07	360.13	5.50	-174.57
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000393367	0	41	-2.0	-110.01	370.23	3.42	-106.59
COC(=O)CCS(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393368	0	40	-2.0	-108.97	357.15	4.49	-104.48
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000393369	0	43	-3.0	-189.87	382.37	7.27	-182.60
COC1=CC=C(CCC(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000393369	1	44	-2.0	-135.12	383.26	7.30	-127.82
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300000393370	0	44	-2.0	-113.47	375.17	4.96	-108.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1	REAL300000393371	0	44	-2.0	-110.57	393.26	6.59	-103.98
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1	REAL300000393372	0	45	-2.0	-115.31	394.90	4.20	-111.11
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000393373	0	42	-2.0	-114.72	373.00	2.71	-112.01
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1	REAL300000393374	0	44	-2.0	-116.50	381.38	7.36	-109.14
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000393375	0	44	-2.0	-119.63	384.41	8.19	-111.44
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=CS1	REAL300000393376	0	41	-2.0	-125.44	378.06	6.23	-119.21
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1	REAL300000393377	0	48	-2.0	-115.07	415.06	6.43	-108.64
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300000393378	0	50	-2.0	-116.57	419.64	8.60	-107.97
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000393379	0	38	-2.0	-108.72	344.90	5.98	-102.74
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000393380	0	38	-2.0	-121.13	343.97	5.98	-115.15
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1	REAL300000393381	0	48	-2.0	-113.39	411.31	6.95	-106.44
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1Cl	REAL300000393382	0	41	-2.0	-116.84	373.02	7.15	-109.69
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C	REAL300000393383	0	41	-2.0	-108.54	360.36	6.76	-101.78
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000393384	0	38	-2.0	-108.28	358.00	6.56	-101.72
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000393386	0	41	-3.0	-183.35	373.59	5.83	-177.52
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000393387	0	38	-2.0	-122.92	355.94	5.49	-117.43
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000393388	0	43	-2.0	-113.32	380.42	2.08	-111.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1Cl	REAL300000393389	0	42	-2.0	-112.35	384.01	5.77	-106.58
COC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1F	REAL300000393390	0	42	-2.0	-112.16	374.21	5.29	-106.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1C	REAL300000393391	0	45	-2.0	-115.35	388.06	5.96	-109.39
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1C	REAL300000393392	0	48	-2.0	-114.94	409.91	6.88	-108.06
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1	REAL300000393393	0	45	-2.0	-110.52	389.06	3.39	-107.13
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000393394	0	38	-2.0	-111.95	343.02	3.63	-108.32
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300000393395	0	43	-2.0	-103.34	382.19	7.37	-95.97
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC=C1	REAL300000393396	1	44	-2.0	-112.43	383.10	7.48	-104.95
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=CN1C	REAL300000393397	0	46	-2.0	-113.89	402.35	3.57	-110.32
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300000393398	0	41	-2.0	-113.29	370.69	7.22	-106.07
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCOC1=CC=C(F)C=C1	REAL300000393399	0	45	-2.0	-107.41	397.98	6.34	-101.07
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300000393400	0	48	-2.0	-115.00	412.06	6.80	-108.20
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000393401	0	40	-3.0	-174.98	376.05	6.16	-168.82
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000393402	0	39	-2.0	-104.68	374.69	6.73	-97.95
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000393403	0	39	-2.0	-105.39	374.76	6.72	-98.67
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000393404	0	42	-2.0	-121.10	376.83	6.29	-114.81
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300000393405	0	41	-2.0	-113.41	373.95	7.02	-106.39
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000393406	0	38	-2.0	-116.64	360.14	6.49	-110.15
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300000393407	0	41	-2.0	-113.14	365.21	6.62	-106.52
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300000393408	0	41	-2.0	-109.38	370.69	7.21	-102.17
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000393409	0	41	-2.0	-121.24	365.39	6.65	-114.59
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C	REAL300000393410	0	41	-2.0	-113.60	360.37	6.76	-106.84
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCCl)C=C1	REAL300000393411	0	44	-2.0	-114.88	398.52	7.98	-106.90
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300000393412	0	43	-2.0	-126.48	372.10	8.17	-118.31
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000393413	0	37	-3.0	-180.54	358.59	5.52	-175.02
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000393414	0	40	-2.0	-119.38	365.96	7.41	-111.97
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000393415	0	40	-2.0	-122.29	371.87	7.30	-114.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000393416	0	45	-2.0	-113.92	383.43	5.99	-107.93
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(OC)C(C)=C1	REAL300000393417	0	48	-2.0	-115.44	403.51	6.73	-108.71
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1O	REAL300000393418	0	42	-2.0	-119.71	369.67	4.29	-115.42
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000393419	0	35	-2.0	-109.08	320.06	2.32	-106.76
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)S1	REAL300000393420	0	41	-2.0	-108.78	386.36	5.69	-103.09
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000393421	0	42	-2.0	-106.78	376.29	6.30	-100.48
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000393422	0	38	-2.0	-113.74	353.39	6.26	-107.48
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000393423	0	40	-3.0	-179.21	369.95	5.62	-173.59
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000393424	0	41	-2.0	-137.49	366.67	5.12	-132.37
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393425	0	48	-2.0	-125.78	410.00	7.29	-118.49
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000393426	0	40	-2.0	-131.25	364.45	7.55	-123.70
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000393427	0	37	-2.0	-106.26	339.88	4.20	-102.06
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393428	0	41	-2.0	-114.78	386.52	5.58	-109.20
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300000393429	0	43	-2.0	-117.60	374.63	6.35	-111.25
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000393430	0	38	-2.0	-123.75	342.66	5.00	-118.75
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C(C)=C1	REAL300000393431	0	48	-2.0	-113.64	405.29	6.91	-106.73
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300000393432	0	42	-2.0	-104.51	378.23	2.89	-101.62
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000393433	0	38	-2.0	-103.65	354.41	4.44	-99.21
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000393434	0	38	-2.0	-117.42	350.25	6.05	-111.37
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000393435	0	44	-2.0	-122.38	381.61	5.56	-116.82
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C)=N1	REAL300000393436	0	41	-2.0	-125.34	363.03	4.83	-120.51
CCN1C=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=N1	REAL300000393437	0	41	-2.0	-112.18	364.56	4.48	-107.70
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393438	0	45	-2.0	-119.13	393.54	5.65	-113.48
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000393439	0	43	-2.0	-114.54	374.45	5.21	-109.33
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000393440	0	38	-2.0	-112.39	358.01	6.56	-105.83
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC(F)(F)F	REAL300000393441	0	41	-2.0	-106.50	376.79	4.16	-102.34
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300000393442	0	46	-2.0	-115.09	395.39	6.52	-108.57
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C	REAL300000393443	0	38	-2.0	-109.94	338.86	2.96	-106.98
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393444	0	42	-2.0	-118.86	367.97	5.22	-113.64
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C	REAL300000393445	0	41	-2.0	-116.69	353.96	6.70	-109.99
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000393446	0	38	-2.0	-122.20	343.32	3.46	-118.74
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000393447	0	38	-2.0	-107.23	338.72	3.55	-103.68
COCCS(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393448	0	38	-2.0	-107.89	335.36	2.73	-105.16
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000393449	0	42	-2.0	-118.81	357.82	4.14	-114.67
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCCO1	REAL300000393450	0	45	-2.0	-116.66	375.33	5.21	-111.45
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1F	REAL300000393453	0	41	-2.0	-120.72	365.39	6.65	-114.07
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C)=C1	REAL300000393454	0	41	-2.0	-109.37	365.21	6.61	-102.76
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000393455	0	35	-2.0	-121.56	319.78	3.31	-118.25
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)O1	REAL300000393456	0	41	-2.0	-109.47	378.02	4.70	-104.77
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000393457	0	43	-2.0	-132.67	378.41	6.55	-126.12
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000393458	0	38	-2.0	-106.83	356.65	6.11	-100.72
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000393459	0	40	-3.0	-182.98	376.63	6.36	-176.62
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393460	0	42	-2.0	-118.09	381.08	5.80	-112.29
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300000393461	0	40	-2.0	-106.84	369.12	5.14	-101.70
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300000393462	0	48	-2.0	-115.12	399.81	6.63	-108.49
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300000393464	0	50	-2.0	-114.20	416.58	6.56	-107.64
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CS1	REAL300000393465	0	38	-2.0	-115.84	346.70	5.74	-110.10
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1C	REAL300000393466	0	47	-2.0	-114.12	396.99	5.82	-108.30
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300000393467	0	43	-2.0	-104.26	382.69	7.11	-97.15
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300000393470	0	42	-2.0	-112.85	374.73	7.09	-105.76
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1C	REAL300000393471	0	42	-2.0	-107.59	374.72	7.07	-100.52
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000393473	0	39	-2.0	-110.88	364.78	6.38	-104.50
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300000393474	0	43	-2.0	-113.44	382.12	3.58	-109.86
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000393475	0	44	-2.0	-112.71	383.23	5.01	-107.70
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000393477	0	43	-2.0	-116.52	379.44	6.31	-110.21
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=N1	REAL300000393478	0	44	-2.0	-118.36	397.85	4.69	-113.67
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000393479	0	44	-2.0	-122.11	382.44	4.36	-117.75
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000393482	0	38	-2.0	-99.87	357.47	6.10	-93.77
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCOC(C)C	REAL300000393483	0	44	-2.0	-108.70	377.49	4.44	-104.26
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=CN1C	REAL300000393484	0	45	-2.0	-118.79	399.64	6.02	-112.77
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000393485	0	40	-3.0	-169.51	371.45	6.52	-162.99
COC1=CC=C(CCC(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000393485	1	41	-2.0	-112.08	371.50	6.48	-105.60
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300000393486	0	44	-2.0	-110.27	385.51	7.26	-103.01
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000393487	0	37	-3.0	-173.38	359.20	5.60	-167.78
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000393488	0	47	-2.0	-124.05	403.19	7.16	-116.89
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000393489	0	40	-3.0	-177.13	373.36	6.54	-170.59
COC1=CC=C(CCC(=O)[O-])C=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000393489	1	41	-2.0	-115.14	373.40	6.51	-108.63
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=CN1	REAL300000393490	0	42	-2.0	-115.13	381.87	4.26	-110.87
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000393491	0	40	-3.0	-170.89	372.40	6.56	-164.33
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000393492	0	41	-2.0	-111.93	359.27	6.72	-105.21
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=CS1	REAL300000393493	0	41	-2.0	-114.33	385.74	5.60	-108.73
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N=C(C)S1	REAL300000393494	0	40	-2.0	-112.57	363.70	4.50	-108.07
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000393495	0	42	-2.0	-122.30	380.73	7.09	-115.21
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393496	0	44	-2.0	-118.20	381.36	7.36	-110.84
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300000393497	0	41	-2.0	-112.98	366.31	6.65	-106.33
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC(C)(C)C	REAL300000393498	1	46	-2.0	-111.90	378.42	6.14	-105.76
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393499	0	44	-2.0	-110.45	396.37	5.37	-105.08
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300000393500	0	41	-2.0	-111.66	370.67	6.69	-104.97
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000393501	0	44	-2.0	-125.36	379.52	8.24	-117.12
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000393502	0	40	-2.0	-112.98	370.47	5.40	-107.58
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000393503	0	41	-3.0	-188.75	376.65	4.19	-184.56
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000393504	0	48	-2.0	-121.00	393.79	8.56	-112.44
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000393505	0	43	-3.0	-177.19	389.13	7.26	-169.93
COC1=CC=C(CCC(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000393505	1	44	-2.0	-104.60	389.20	7.23	-97.37
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)O1	REAL300000393506	0	44	-2.0	-109.60	399.88	5.63	-103.97
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000393507	0	40	-2.0	-104.63	373.11	6.65	-97.98
COC1=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)SC=C1	REAL300000393509	0	39	-2.0	-125.58	360.65	4.20	-121.38
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000393510	0	41	-2.0	-118.39	368.24	6.32	-112.07
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000393511	0	38	-2.0	-104.20	353.45	4.87	-99.33
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000393512	0	38	-2.0	-118.08	358.65	4.75	-113.33
COC1=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=CC(OC)=C1	REAL300000393513	0	46	-2.0	-119.51	397.46	4.53	-114.98
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000393514	0	39	-2.0	-119.84	354.32	4.66	-115.18
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000393515	0	39	-2.0	-106.30	360.70	3.75	-102.55
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C)S1	REAL300000393516	0	37	-2.0	-111.99	347.00	3.74	-108.25
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000393517	0	43	-3.0	-181.04	376.97	7.11	-173.93
COC1=CC=C(CCC(=O)[O-])C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000393517	1	44	-2.0	-99.56	377.73	7.17	-92.39
COCCOCCS(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393518	0	45	-2.0	-110.91	390.84	2.96	-107.95
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000393519	0	43	-3.0	-171.01	382.35	7.25	-163.76
COC1=CC=C(CCC(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000393519	1	44	-2.0	-105.06	383.34	7.30	-97.76
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300000393520	0	39	-2.0	-112.72	367.77	6.59	-106.13
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300000393521	0	41	-2.0	-115.69	370.66	6.70	-108.99
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1CC	REAL300000393522	0	50	-2.0	-118.60	415.52	8.49	-110.11
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC1CC1	REAL300000393523	1	41	-2.0	-111.21	354.80	6.01	-105.20
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000393524	0	44	-2.0	-122.94	383.92	6.30	-116.64
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=N1	REAL300000393525	0	43	-2.0	-106.37	389.22	4.74	-101.63
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393526	0	46	-2.0	-126.58	401.57	7.18	-119.40
COCCN1C=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=N1	REAL300000393527	0	45	-2.0	-110.26	398.23	3.54	-106.72
CCN1C=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C([N+](=O)[O-])=N1	REAL300000393528	0	43	-2.0	-119.00	388.79	6.76	-112.24
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300000393530	0	42	-2.0	-123.44	375.76	6.71	-116.73
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000393531	0	47	-2.0	-116.22	411.47	7.56	-108.66
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393532	0	44	-2.0	-123.12	385.97	6.66	-116.46
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000393533	0	46	-2.0	-110.65	396.51	3.67	-106.98
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1F	REAL300000393534	0	41	-2.0	-121.86	364.29	6.64	-115.22
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=N1	REAL300000393535	0	44	-2.0	-108.62	387.51	3.54	-105.08
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000393536	0	45	-2.0	-126.03	384.42	5.95	-120.08
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1	REAL300000393537	0	45	-2.0	-116.55	393.56	5.65	-110.90
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393538	0	43	-2.0	-120.64	377.75	2.91	-117.73
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300000393539	0	41	-2.0	-117.93	370.34	7.06	-110.87
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C)=C1	REAL300000393541	0	41	-2.0	-114.59	361.43	5.50	-109.09
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000393542	0	46	-2.0	-116.11	392.17	6.56	-109.55
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393543	0	45	-2.0	-115.26	385.08	5.95	-109.31
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300000393544	0	48	-2.0	-114.11	407.76	6.76	-107.35
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)O1	REAL300000393545	0	38	-2.0	-115.66	343.07	4.74	-110.92
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)S1	REAL300000393546	0	41	-2.0	-117.04	372.12	6.34	-110.70
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000393547	0	41	-2.0	-111.99	364.53	4.58	-107.41
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000393548	0	40	-2.0	-101.14	371.21	6.62	-94.52
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000393549	0	38	-2.0	-106.83	361.61	6.51	-100.32
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C(C)O1	REAL300000393550	0	44	-2.0	-110.66	396.31	5.48	-105.18
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000393551	0	37	-2.0	-106.49	350.22	4.62	-101.87
CCN1C=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)N=C1C	REAL300000393552	0	44	-2.0	-125.76	384.08	5.71	-120.05
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300000393553	0	41	-2.0	-117.50	373.02	7.16	-110.34
CCN1C=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1C(=O)[O-]	REAL300000393554	0	44	-3.0	-184.77	394.88	6.70	-178.07
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393555	0	41	-2.0	-113.58	378.36	4.66	-108.92
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393556	0	50	-2.0	-114.62	417.95	6.47	-108.15
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000393557	0	38	-2.0	-120.56	354.52	6.72	-113.84
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1Cl	REAL300000393558	0	40	-2.0	-114.03	368.37	5.23	-108.80
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300000393559	0	43	-2.0	-114.02	387.52	6.11	-107.91
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)S1	REAL300000393560	0	40	-2.0	-111.67	368.49	4.50	-107.17
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300000393561	0	45	-2.0	-111.31	388.15	6.06	-105.25
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000393562	0	39	-2.0	-107.51	372.36	6.89	-100.62
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000393563	0	41	-2.0	-125.64	366.41	6.24	-119.40
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393564	0	43	-2.0	-111.79	388.43	4.78	-107.01
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCOC1	REAL300000393565	1	45	-2.0	-114.46	371.63	4.71	-109.75
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300000393566	1	46	-2.0	-118.73	389.96	6.33	-112.40
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CS1	REAL300000393567	1	41	-2.0	-111.16	373.33	6.56	-104.60
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300000393568	0	38	-2.0	-109.22	367.47	6.14	-103.08
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000393569	0	41	-2.0	-122.64	372.64	6.86	-115.78
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000393570	0	41	-2.0	-111.27	376.40	4.81	-106.46
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1SC	REAL300000393571	0	42	-2.0	-122.89	374.56	6.99	-115.90
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300000393572	0	42	-2.0	-108.38	374.21	5.29	-103.09
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000393573	0	37	-2.0	-121.19	351.17	6.33	-114.86
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000393574	0	35	-2.0	-114.40	321.16	3.91	-110.49
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000393575	0	37	-2.0	-101.53	332.94	2.33	-99.20
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000393576	0	43	-2.0	-109.76	382.83	5.05	-104.71
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000393577	0	37	-2.0	-105.29	359.64	5.68	-99.61
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000393578	0	42	-2.0	-118.73	366.60	5.37	-113.36
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000393579	0	39	-2.0	-111.88	372.37	6.89	-104.99
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393580	0	44	-2.0	-115.02	368.69	7.64	-107.38
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000393582	0	42	-2.0	-128.34	376.87	5.99	-122.35
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC(C)(C)C#N	REAL300000393583	1	44	-2.0	-112.16	377.70	5.76	-106.40
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000393584	0	39	-2.0	-122.27	363.25	4.22	-118.05
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393585	0	41	-2.0	-112.35	363.05	3.39	-108.96
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300000393586	0	44	-2.0	-112.24	379.97	5.35	-106.89
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300000393588	1	41	-2.0	-111.93	378.33	7.20	-104.73
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(NC(C)=O)S1	REAL300000393589	0	41	-2.0	-118.56	383.45	3.40	-115.16
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300000393589	1	40	-3.0	-179.26	380.13	2.28	-176.98
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000393590	0	42	-2.0	-115.83	371.32	7.18	-108.65
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000393591	0	42	-2.0	-122.32	380.76	7.08	-115.24
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300000393592	0	44	-2.0	-107.77	374.99	7.67	-100.10
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300000393593	0	39	-2.0	-104.81	346.01	3.29	-101.52
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300000393594	0	42	-2.0	-119.96	383.46	6.24	-113.72
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000393595	0	39	-2.0	-110.20	365.97	4.70	-105.50
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300000393596	0	49	-2.0	-115.89	419.72	6.71	-109.18
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393597	0	45	-2.0	-119.15	383.44	6.00	-113.15
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000393599	0	36	-2.0	-105.84	351.00	5.48	-100.36
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1	REAL300000393600	0	40	-2.0	-112.91	355.07	4.74	-108.17
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000393601	0	43	-2.0	-115.77	379.66	6.28	-109.49
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300000393602	0	42	-2.0	-107.64	378.46	6.81	-100.83
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000393603	0	37	-2.0	-100.43	356.21	4.60	-95.83
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CC(C)OC	REAL300000393604	0	41	-2.0	-114.10	354.48	3.68	-110.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C(F)=C1	REAL300000393605	0	42	-2.0	-117.58	373.46	5.28	-112.30
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300000393606	0	44	-2.0	-115.57	384.20	6.44	-109.13
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000393607	0	41	-2.0	-113.96	372.66	6.85	-107.11
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=NN1C	REAL300000393609	0	41	-2.0	-107.99	355.34	4.38	-103.61
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300000393610	1	44	-2.0	-110.84	399.83	7.99	-102.85
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000393611	0	36	-2.0	-106.86	342.44	4.46	-102.40
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000393612	0	35	-2.0	-112.46	329.59	4.83	-107.63
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000393613	0	35	-2.0	-112.74	321.01	3.81	-108.93
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000393614	0	43	-3.0	-171.38	382.94	7.03	-164.35
COC1=CC=C(CCC(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000393614	1	44	-2.0	-104.87	383.74	7.04	-97.83
COC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=N1	REAL300000393615	0	41	-2.0	-108.46	365.65	2.61	-105.85
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000393616	0	38	-2.0	-115.65	360.71	6.50	-109.15
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393617	0	49	-2.0	-117.70	416.60	7.03	-110.67
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000393618	0	41	-2.0	-118.07	375.00	7.28	-110.79
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000393619	0	41	-2.0	-121.21	365.08	4.55	-116.66
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393620	0	45	-2.0	-119.00	389.82	6.15	-112.85
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393621	0	44	-2.0	-141.28	382.88	3.52	-137.76
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300000393622	0	47	-2.0	-119.20	405.77	8.85	-110.35
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000393623	0	35	-2.0	-116.22	346.45	5.37	-110.85
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CS1	REAL300000393624	0	38	-2.0	-114.82	352.05	5.59	-109.23
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000393625	0	35	-2.0	-109.53	336.76	2.73	-106.80
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000393626	0	37	-2.0	-108.85	345.39	4.03	-104.82
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000393627	0	47	-2.0	-110.35	403.02	4.97	-105.38
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000393628	0	47	-2.0	-109.20	407.65	4.47	-104.73
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300000393629	0	46	-2.0	-113.98	399.00	6.89	-107.09
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000393630	0	41	-2.0	-111.99	374.66	6.39	-105.60
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=NS1	REAL300000393631	0	37	-2.0	-107.95	346.97	4.22	-103.73
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(=O)S1	REAL300000393632	1	35	-2.0	-105.90	335.31	1.81	-104.09
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300000393633	0	42	-2.0	-143.51	369.62	3.19	-140.32
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000393634	0	45	-2.0	-116.25	387.70	8.03	-108.22
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000393635	0	35	-2.0	-119.34	336.76	4.96	-114.38
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000393636	0	39	-2.0	-104.68	365.19	6.35	-98.33
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1=CC=CC=C1	REAL300000393637	0	48	-2.0	-112.78	409.09	6.49	-106.29
COCC1(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)CC1	REAL300000393638	0	42	-2.0	-117.29	360.01	4.96	-112.33
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(C)=O	REAL300000393639	0	38	-2.0	-139.55	343.83	1.87	-137.68
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000393640	0	35	-2.0	-116.04	320.10	2.50	-113.54
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000393641	0	43	-2.0	-121.34	375.47	2.83	-118.51
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)S1	REAL300000393642	0	41	-2.0	-116.82	368.59	6.54	-110.28
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000393643	0	39	-2.0	-104.02	361.85	4.77	-99.25
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000393644	0	40	-2.0	-105.28	366.03	5.30	-99.98
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)CC1	REAL300000393647	0	47	-2.0	-123.48	405.28	7.40	-116.08
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1	REAL300000393648	0	41	-2.0	-113.81	359.14	4.15	-109.66
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1	REAL300000393649	0	42	-2.0	-116.87	369.55	7.01	-109.86
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C	REAL300000393650	0	41	-2.0	-113.02	361.86	4.28	-108.74
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000393651	0	38	-2.0	-105.26	354.31	4.52	-100.74
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393652	0	46	-2.0	-109.34	386.76	5.90	-103.44
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCCCF	REAL300000393653	1	40	-2.0	-109.47	351.28	5.36	-104.11
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000393654	0	38	-2.0	-110.14	354.12	3.45	-106.69
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)CCCC1	REAL300000393655	0	50	-2.0	-121.35	411.69	7.05	-114.30
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300000393656	0	42	-2.0	-109.15	384.02	5.77	-103.38
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(N)=O)S1	REAL300000393657	0	42	-2.0	-126.01	390.06	2.55	-123.46
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000393658	0	40	-3.0	-191.05	370.57	6.51	-184.54
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000393659	0	40	-2.0	-127.10	369.67	5.34	-121.76
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000393660	0	43	-2.0	-119.29	374.28	5.76	-113.53
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300000393661	1	45	-2.0	-115.43	388.53	8.09	-107.34
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000393662	0	41	-2.0	-117.02	365.60	7.42	-109.60
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000393663	0	43	-2.0	-126.77	374.78	5.74	-121.03
CCC(CS(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC)OC	REAL300000393664	0	44	-2.0	-113.94	370.80	4.58	-109.36
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CC(CC(C)C)OC	REAL300000393665	0	50	-2.0	-115.11	409.96	5.81	-109.30
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC1CC1	REAL300000393666	0	45	-2.0	-108.39	388.89	5.28	-103.11
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300000393667	1	44	-2.0	-109.26	399.83	7.99	-101.27
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F	REAL300000393668	0	41	-2.0	-123.73	368.39	6.86	-116.87
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000393669	0	43	-2.0	-114.18	382.33	4.37	-109.81
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1CC1	REAL300000393670	0	45	-2.0	-114.23	381.28	5.31	-108.92
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300000393671	0	42	-2.0	-120.37	373.14	5.78	-114.59
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CON=C1C	REAL300000393672	0	37	-2.0	-105.01	335.42	3.87	-101.14
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300000393673	0	41	-2.0	-110.45	373.95	7.01	-103.44
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000393674	0	44	-2.0	-125.93	386.57	6.90	-119.03
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(=O)N(C)C	REAL300000393675	0	43	-2.0	-131.66	377.85	1.77	-129.89
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000393676	0	37	-2.0	-117.64	338.98	4.10	-113.54
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC1CCCCC1	REAL300000393677	1	50	-2.0	-111.81	403.89	7.65	-104.16
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC1CCCC1	REAL300000393678	1	47	-2.0	-111.95	387.40	7.06	-104.89
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000393679	0	37	-2.0	-104.99	339.89	4.06	-100.93
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC1CCC1	REAL300000393680	0	48	-2.0	-108.48	405.46	5.82	-102.66
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000393681	0	36	-2.0	-118.36	348.85	5.32	-113.04
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C(C)C	REAL300000393683	0	47	-2.0	-109.83	387.11	4.92	-104.91
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000393684	0	38	-2.0	-106.41	361.08	6.48	-99.93
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000393685	0	46	-2.0	-126.75	390.68	7.11	-119.64
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300000393687	1	44	-2.0	-109.45	389.51	7.54	-101.91
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC=C1F	REAL300000393688	1	44	-2.0	-115.56	388.66	7.50	-108.06
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300000393689	1	44	-2.0	-114.44	395.78	7.84	-106.60
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300000393691	0	45	-2.0	-127.48	394.40	3.36	-124.12
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(=O)NC1=O	REAL300000393692	0	41	-2.0	-117.10	366.88	2.62	-114.48
CCOC(CS(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC)C1CC1	REAL300000393693	0	48	-2.0	-114.99	401.89	6.27	-108.72
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C)N1C	REAL300000393694	0	41	-2.0	-112.64	357.84	4.90	-107.74
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1CCCC1	REAL300000393695	0	51	-2.0	-111.60	412.14	6.25	-105.35
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1CCCCC1	REAL300000393696	0	54	-2.0	-112.50	428.74	6.80	-105.70
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)O1	REAL300000393697	0	44	-2.0	-110.31	395.92	5.28	-105.03
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000393698	0	41	-2.0	-112.56	378.22	5.42	-107.14
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000393699	0	37	-2.0	-109.77	355.85	4.52	-105.25
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300000393700	1	44	-2.0	-118.05	393.73	7.53	-110.52
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1F	REAL300000393701	0	41	-2.0	-117.40	370.56	6.70	-110.70
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000393702	0	40	-2.0	-131.45	366.84	4.82	-126.63
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C(C)=N1	REAL300000393703	0	50	-2.0	-112.71	426.39	6.68	-106.03
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000393704	0	39	-3.0	-185.35	363.91	4.55	-180.80
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300000393705	0	42	-2.0	-115.04	371.26	6.07	-108.97
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000393706	0	39	-2.0	-105.85	365.74	6.37	-99.48
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000393707	0	40	-2.0	-112.03	361.75	4.96	-107.07
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000393707	1	40	-2.0	-127.87	361.64	5.11	-122.76
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000393708	0	42	-2.0	-122.61	372.21	5.88	-116.73
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000393709	0	48	-2.0	-112.23	399.48	6.03	-106.20
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000393710	0	50	-2.0	-110.97	406.84	6.54	-104.43
CCC(C)(C)CCS(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393711	1	49	-2.0	-112.14	392.64	6.65	-105.49
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000393712	0	48	-2.0	-112.78	405.88	6.27	-106.51
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1CC1C1=CC=CC(F)=C1	REAL300000393713	1	45	-2.0	-122.19	386.57	8.21	-113.98
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000393714	0	39	-2.0	-115.05	354.66	3.67	-111.38
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000393714	1	38	-3.0	-201.48	351.10	4.54	-196.94
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C1	REAL300000393715	0	48	-2.0	-115.93	415.70	8.70	-107.23
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393716	0	44	-2.0	-112.82	381.30	5.09	-107.73
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1	REAL300000393717	0	43	-2.0	-113.99	383.49	6.39	-107.60
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000393718	0	38	-2.0	-107.11	343.68	3.27	-103.84
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C#N	REAL300000393719	0	42	-2.0	-121.94	377.95	6.86	-115.08
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C#N	REAL300000393720	0	42	-2.0	-122.81	370.06	7.15	-115.66
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000393722	0	45	-2.0	-119.11	402.27	7.87	-111.24
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300000393723	0	44	-2.0	-108.66	385.32	8.10	-100.56
COC1=NSC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393724	0	38	-2.0	-105.05	357.72	1.72	-103.33
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCC(C)(C)O1	REAL300000393725	0	51	-2.0	-119.52	410.52	6.15	-113.37
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000393726	0	34	-2.0	-107.92	325.22	3.62	-104.30
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC(C)(C)C1CC1	REAL300000393727	1	50	-2.0	-112.41	402.12	7.40	-105.01
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300000393729	0	42	-2.0	-115.04	377.99	1.53	-113.51
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393730	0	47	-2.0	-115.52	390.18	8.42	-107.10
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000393731	0	38	-2.0	-111.77	353.84	5.96	-105.81
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300000393732	1	44	-2.0	-111.12	389.51	7.54	-103.58
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000393733	0	43	-2.0	-123.96	374.72	6.43	-117.53
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393734	0	45	-2.0	-115.87	399.89	6.12	-109.75
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000393735	0	39	-2.0	-116.47	364.29	6.34	-110.13
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=N1	REAL300000393736	0	37	-2.0	-117.15	337.27	2.24	-114.91
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000393737	0	45	-2.0	-112.92	388.38	5.60	-107.32
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000393738	0	45	-2.0	-110.09	385.77	5.80	-104.29
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000393739	0	48	-2.0	-109.65	407.88	6.53	-103.12
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000393740	0	45	-2.0	-116.66	382.86	5.95	-110.71
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC=C1C	REAL300000393741	0	41	-2.0	-112.08	363.21	6.59	-105.49
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000393742	0	46	-2.0	-128.04	395.73	6.50	-121.54
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000393743	0	46	-2.0	-112.76	407.15	5.58	-107.18
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000393744	0	35	-2.0	-112.17	343.91	5.36	-106.81
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300000393745	0	43	-2.0	-129.77	379.16	5.52	-124.25
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393746	0	40	-2.0	-101.61	353.71	3.26	-98.35
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000393748	0	39	-2.0	-103.68	353.35	4.71	-98.97
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000393749	0	41	-2.0	-118.39	377.32	7.35	-111.04
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000393750	0	45	-2.0	-108.83	390.42	5.64	-103.19
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300000393751	0	47	-2.0	-112.18	394.22	8.28	-103.90
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300000393752	0	46	-2.0	-120.46	394.27	5.85	-114.61
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000393753	0	41	-2.0	-117.78	368.25	6.20	-111.58
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000393754	0	45	-2.0	-116.02	393.77	5.84	-110.18
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000393755	0	41	-2.0	-123.88	367.91	5.12	-118.76
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000393756	0	43	-2.0	-132.91	383.02	4.32	-128.59
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000393757	0	45	-2.0	-117.72	379.16	7.90	-109.82
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(N)C(C)=C1	REAL300000393758	0	42	-2.0	-114.88	366.50	3.63	-111.25
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393759	0	38	-2.0	-112.28	355.77	1.79	-110.49
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)NC=N1	REAL300000393760	0	38	-2.0	-123.09	337.41	4.00	-119.09
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000393762	0	41	-2.0	-113.71	372.20	6.30	-107.41
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000393763	0	48	-2.0	-116.37	409.99	6.32	-110.05
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000393764	0	35	-2.0	-112.30	344.31	5.45	-106.85
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000393765	0	48	-2.0	-112.99	412.45	6.56	-106.43
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000393766	0	42	-2.0	-119.64	375.22	7.11	-112.53
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393767	0	47	-2.0	-118.42	402.86	8.14	-110.28
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393768	0	44	-2.0	-105.95	394.75	4.26	-101.69
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300000393769	0	39	-2.0	-117.15	362.97	6.27	-110.88
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000393770	0	45	-2.0	-113.11	384.19	5.45	-107.66
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C	REAL300000393772	0	44	-2.0	-115.83	368.60	7.60	-108.23
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000393773	0	47	-2.0	-106.33	385.51	5.83	-100.50
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000393774	0	47	-2.0	-113.64	402.97	5.63	-108.01
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000393775	0	45	-2.0	-113.12	387.05	5.01	-108.11
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000393776	0	49	-2.0	-112.75	412.74	6.73	-106.02
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000393777	0	41	-2.0	-116.00	366.48	6.74	-109.26
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=NN1C	REAL300000393778	0	41	-2.0	-108.18	360.65	4.14	-104.04
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C	REAL300000393780	0	44	-2.0	-117.69	370.97	7.24	-110.45
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000393781	0	41	-2.0	-125.26	359.46	7.21	-118.05
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000393782	0	39	-2.0	-112.85	371.12	6.77	-106.08
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000393783	0	45	-2.0	-118.30	387.69	8.03	-110.27
COC1=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=CS1	REAL300000393784	0	39	-2.0	-120.18	360.74	4.37	-115.81
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000393785	0	45	-2.0	-119.71	393.18	8.09	-111.62
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000393786	0	48	-2.0	-110.62	403.24	6.51	-104.11
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(CCC(=O)[O-])=CC=C1OC	REAL300000393787	0	47	-2.0	-109.74	398.41	5.82	-103.92
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000393789	0	43	-2.0	-125.48	382.07	4.28	-121.20
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)O1	REAL300000393790	0	41	-2.0	-115.81	364.56	5.52	-110.29
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000393791	0	38	-2.0	-107.94	362.33	5.14	-102.80
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000393792	0	44	-2.0	-115.55	391.69	7.46	-108.09
COC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)S1	REAL300000393793	0	39	-2.0	-112.50	362.26	4.37	-108.13
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000393794	0	41	-2.0	-109.38	371.15	4.63	-104.75
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393795	0	48	-2.0	-119.39	415.39	6.61	-112.78
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000393796	0	41	-2.0	-117.96	360.11	6.84	-111.12
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000393797	0	41	-2.0	-118.63	363.98	6.31	-112.32
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000393798	0	40	-2.0	-117.47	369.41	5.31	-112.16
CCN1N=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=N1	REAL300000393799	0	40	-2.0	-112.65	359.19	2.78	-109.87
CCN1N=CC(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1Cl	REAL300000393800	0	41	-2.0	-110.09	380.13	4.84	-105.25
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000393801	0	35	-2.0	-109.15	338.22	4.53	-104.62
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300000393802	0	47	-2.0	-126.12	397.24	8.77	-117.35
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300000393803	0	45	-2.0	-116.11	396.40	6.30	-109.81
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000393805	0	42	-2.0	-116.34	382.29	7.24	-109.10
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CO1	REAL300000393806	0	38	-2.0	-114.84	343.06	4.59	-110.25
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000393807	0	37	-2.0	-100.09	356.10	4.56	-95.53
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000393808	0	44	-2.0	-113.29	382.89	5.86	-107.43
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000393809	0	45	-2.0	-123.07	392.20	7.69	-115.38
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000393810	0	38	-2.0	-109.67	358.36	3.96	-105.71
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000393811	0	44	-2.0	-128.15	376.31	7.75	-120.40
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000393812	0	36	-2.0	-117.27	342.63	4.37	-112.90
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300000393813	0	40	-2.0	-106.31	366.22	5.32	-100.99
CCN1C=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C(C2CC2)=N1	REAL300000393814	0	48	-2.0	-115.84	415.27	6.71	-109.13
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)NC(=O)NC1=O	REAL300000393815	0	41	-2.0	-116.04	361.17	1.89	-114.15
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000393817	0	35	-2.0	-111.60	337.24	4.42	-107.18
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000393818	0	35	-2.0	-109.34	347.29	5.44	-103.90
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000393819	0	46	-2.0	-109.43	390.76	3.67	-105.76
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000393820	0	45	-2.0	-120.50	382.03	8.08	-112.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C(C)=N1	REAL300000393822	0	44	-2.0	-108.32	381.32	3.36	-104.96
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CN=C1OC	REAL300000393823	0	44	-2.0	-120.10	385.89	3.73	-116.37
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300000393824	0	44	-2.0	-109.84	385.79	3.33	-106.51
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000393825	0	47	-2.0	-112.97	405.87	6.02	-106.95
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300000393826	0	47	-2.0	-113.59	402.09	5.66	-107.93
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000393827	0	36	-2.0	-114.45	341.40	4.34	-110.11
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000393828	0	36	-2.0	-117.73	348.00	5.29	-112.44
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000393829	0	44	-2.0	-109.08	380.20	5.18	-103.90
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000393830	0	45	-2.0	-107.95	390.69	6.04	-101.91
COC1=NOC(CS(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)=C1	REAL300000393831	0	41	-2.0	-110.44	369.53	2.25	-108.19
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300000393832	0	47	-2.0	-114.56	402.96	5.67	-108.89
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000393833	0	40	-2.0	-115.48	367.71	5.02	-110.46
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)CC1CC(C(C)C)C1	REAL300000393834	1	50	-2.0	-114.15	408.45	7.59	-106.56
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000393835	0	39	-2.0	-116.32	349.50	3.06	-113.26
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000393836	0	34	-2.0	-105.27	324.13	3.51	-101.76
CCC1=C(S(=O)(=O)[N-]C2=CC(CCC(=O)[O-])=CC=C2OC)C=C(C(=O)[O-])O1	REAL300000393837	0	43	-3.0	-179.38	389.06	6.47	-172.91
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300000393838	0	38	-2.0	-109.20	363.73	6.31	-102.89
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000393839	0	34	-2.0	-110.44	325.06	3.03	-107.41
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000393840	0	45	-2.0	-116.24	384.20	5.24	-111.00
COC1=CC=C(CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000393841	0	41	-2.0	-121.24	365.39	6.65	-114.59
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000393842	0	37	-2.0	-89.48	362.35	1.84	-87.64
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000393843	0	30	-2.0	-105.96	310.44	3.29	-102.67
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000393844	0	38	-2.0	-105.53	365.52	4.35	-101.18
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000393845	0	30	-2.0	-96.21	305.89	3.26	-92.95
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000393846	0	30	-2.0	-108.32	305.90	3.25	-105.07
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000393847	0	34	-2.0	-112.23	334.04	3.05	-109.18
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000393848	0	34	-2.0	-95.43	337.35	4.55	-90.88
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000393849	0	33	-2.0	-109.39	321.91	3.79	-105.60
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000393850	0	30	-2.0	-102.78	318.97	3.83	-98.95
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000393851	0	30	-2.0	-104.19	318.42	3.65	-100.54
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000393852	0	36	-2.0	-109.48	339.01	4.58	-104.90
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000393853	0	30	-2.0	-104.51	311.38	3.32	-101.19
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000393854	0	36	-2.0	-94.42	349.47	4.85	-89.57
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000393855	0	27	-2.0	-102.78	299.08	2.28	-100.50
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000393856	0	33	-2.0	-107.59	321.34	4.04	-103.55
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000393857	0	34	-2.0	-94.12	336.96	3.54	-90.58
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000393858	0	31	-2.0	-106.89	312.54	2.60	-104.29
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000393859	0	34	-2.0	-107.83	330.10	2.07	-105.76
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000393860	0	30	-2.0	-99.06	315.03	2.94	-96.12
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000393861	0	36	-2.0	-108.77	337.35	4.57	-104.20
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000393862	0	27	-2.0	-104.16	297.55	2.28	-101.88
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000393863	0	34	-2.0	-114.19	333.19	3.31	-110.88
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000393864	0	40	-2.0	-111.63	361.13	5.88	-105.75
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000393865	0	39	-2.0	-109.53	359.80	5.27	-104.26
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSN=C1C(=O)OC	REAL300000393866	0	36	-2.0	-104.96	332.73	4.84	-100.12
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000393867	0	37	-2.0	-113.90	356.33	3.82	-110.08
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000393868	0	32	-3.0	-184.16	334.30	3.82	-180.34
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000393869	0	37	-2.0	-111.91	350.14	5.14	-106.77
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000393870	0	30	-2.0	-101.57	308.91	2.39	-99.18
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000393871	0	34	-2.0	-109.60	334.86	2.35	-107.25
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000393872	0	38	-2.0	-95.43	359.53	3.87	-91.56
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000393873	0	30	-2.0	-99.69	323.50	3.84	-95.85
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000393874	0	37	-2.0	-94.67	357.05	4.24	-90.43
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000393875	0	33	-2.0	-98.81	326.61	4.07	-94.74
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000393876	0	34	-2.0	-93.81	343.20	3.59	-90.22
CCOC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000393877	0	37	-2.0	-114.88	355.04	4.23	-110.65
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000393878	0	30	-2.0	-104.39	314.53	3.15	-101.24
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000393879	0	30	-2.0	-93.78	318.95	3.82	-89.96
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000393880	0	30	-2.0	-95.80	310.43	3.30	-92.50
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000393881	0	27	-2.0	-97.84	298.15	2.38	-95.46
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000393882	0	30	-2.0	-99.41	312.32	3.32	-96.09
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000393883	0	33	-2.0	-105.99	331.65	3.96	-102.03
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000393884	0	30	-2.0	-95.78	311.36	3.33	-92.45
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000393885	0	30	-2.0	-93.86	318.40	3.65	-90.21
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000393886	0	33	-2.0	-100.33	335.34	4.46	-95.87
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000393887	0	38	-2.0	-92.14	369.64	4.67	-87.47
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000393888	0	30	-2.0	-97.76	316.73	3.35	-94.41
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000393889	0	32	-2.0	-93.75	334.09	3.92	-89.83
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000393890	0	30	-3.0	-203.74	312.05	1.85	-201.89
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000393890	1	31	-2.0	-105.74	315.61	0.96	-104.78
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000393891	0	33	-2.0	-98.70	328.08	4.04	-94.66
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000393892	0	30	-2.0	-99.09	326.61	3.78	-95.31
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000393893	0	33	-2.0	-105.67	315.94	3.87	-101.80
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000393894	0	33	-2.0	-107.36	330.74	3.91	-103.45
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000393895	0	33	-2.0	-96.11	321.32	4.02	-92.09
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000393896	0	36	-2.0	-111.44	338.78	4.32	-107.12
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000393897	0	32	-2.0	-107.04	332.45	4.35	-102.69
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000393898	0	30	-2.0	-96.75	317.64	3.38	-93.37
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000393899	0	36	-2.0	-109.98	340.38	4.62	-105.36
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000393900	0	33	-2.0	-105.58	327.38	3.85	-101.73
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000393901	0	33	-2.0	-104.60	337.68	4.39	-100.21
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000393902	0	33	-2.0	-114.48	330.91	3.95	-110.53
CCC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000393903	0	36	-2.0	-110.08	340.22	4.44	-105.64
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000393904	0	37	-2.0	-112.02	356.37	3.38	-108.64
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000393905	0	33	-2.0	-98.79	332.16	4.44	-94.35
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000393906	0	33	-2.0	-106.02	337.13	4.21	-101.81
CCN1C=C(S(=O)(=O)[N-]C2=CSN=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000393907	0	34	-2.0	-108.17	333.92	3.47	-104.70
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000393908	0	33	-2.0	-102.92	339.67	4.32	-98.60
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000393909	0	33	-2.0	-96.38	321.91	3.80	-92.58
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000393910	0	33	-2.0	-105.15	325.85	4.06	-101.09
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000393911	0	32	-2.0	-116.28	329.63	5.11	-111.17
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000393912	0	30	-2.0	-113.69	309.53	3.28	-110.41
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000393913	0	33	-2.0	-101.19	330.86	3.93	-97.26
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000393914	0	36	-2.0	-116.68	346.94	5.37	-111.31
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000393915	0	29	-2.0	-106.14	302.11	1.38	-104.76
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000393916	0	34	-2.0	-100.11	334.10	3.05	-97.06
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000393917	0	27	-2.0	-96.08	306.01	2.22	-93.86
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000393918	0	37	-2.0	-101.86	352.03	5.14	-96.72
COC(=O)C1=NSC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000393919	0	37	-2.0	-106.61	349.99	5.12	-101.49
CCC1=C(S(=O)(=O)[N-]C2=CSN=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000393920	0	33	-2.0	-100.76	326.14	3.21	-97.55
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000393921	1	37	-2.0	-112.86	347.17	6.48	-106.38
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000393923	1	37	-2.0	-113.70	342.63	6.45	-107.25
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000393924	0	41	-2.0	-119.45	370.77	6.24	-113.21
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000393925	1	41	-2.0	-101.42	374.10	7.75	-93.67
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000393927	0	37	-2.0	-109.33	355.70	7.02	-102.31
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000393928	1	37	-2.0	-111.26	355.14	6.85	-104.41
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000393929	1	43	-2.0	-116.60	375.31	7.80	-108.80
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000393930	0	37	-2.0	-111.40	348.11	6.52	-104.88
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000393931	1	43	-2.0	-100.55	386.21	8.03	-92.52
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000393932	0	34	-2.0	-108.00	335.81	5.47	-102.53
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000393933	1	40	-2.0	-114.50	358.06	7.24	-107.26
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000393935	1	38	-2.0	-112.13	349.28	5.80	-106.33
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000393937	0	37	-2.0	-105.08	351.75	6.14	-98.94
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000393939	0	34	-2.0	-109.42	334.28	5.48	-103.94
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000393941	1	46	-2.0	-116.66	396.53	8.45	-108.21
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)OC)=C1	REAL300000393942	1	43	-2.0	-112.60	372.77	8.17	-104.43
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000393943	0	44	-2.0	-119.49	393.06	7.01	-112.48
COC(=O)CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000393944	0	40	-2.0	-109.90	377.75	6.87	-103.03
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000393944	1	39	-3.0	-190.50	371.04	7.02	-183.48
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000393945	1	44	-2.0	-118.83	386.87	8.35	-110.48
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000393946	0	37	-2.0	-107.39	345.64	5.59	-101.80
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000393947	0	41	-2.0	-116.47	371.61	5.54	-110.93
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000393949	1	40	-2.0	-104.98	363.34	7.27	-97.71
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000393950	1	41	-2.0	-99.42	379.93	6.79	-92.63
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000393952	1	37	-2.0	-110.71	352.32	6.34	-104.37
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000393953	0	37	-2.0	-99.21	355.68	7.01	-92.20
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000393954	1	37	-2.0	-100.93	347.15	6.49	-94.44
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000393955	0	34	-2.0	-103.75	334.90	5.58	-98.17
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000393956	1	37	-2.0	-104.53	349.04	6.51	-98.02
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000393957	0	40	-2.0	-112.88	368.39	7.15	-105.73
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000393958	0	37	-2.0	-101.47	348.09	6.52	-94.95
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000393959	1	37	-2.0	-99.03	355.12	6.85	-92.18
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000393960	1	40	-2.0	-106.65	372.07	7.64	-99.01
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000393961	1	37	-2.0	-102.46	353.46	6.55	-95.91
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000393962	1	39	-2.0	-98.64	370.82	7.11	-91.53
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000393963	0	38	-2.0	-113.44	352.34	4.16	-109.28
COC(=O)CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000393963	1	38	-2.0	-108.50	351.43	5.04	-103.46
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000393964	1	40	-2.0	-105.45	364.82	7.23	-98.22
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000393965	1	40	-2.0	-111.53	352.69	7.08	-104.45
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000393966	1	40	-2.0	-112.23	367.48	7.10	-105.13
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000393969	0	39	-2.0	-111.31	369.20	7.54	-103.77
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000393970	0	37	-2.0	-103.07	354.39	6.58	-96.49
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000393972	0	40	-2.0	-113.78	367.95	7.14	-106.64
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000393973	0	40	-2.0	-111.10	374.39	7.58	-103.52
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000393974	0	40	-2.0	-120.79	367.66	7.14	-113.65
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000393975	1	43	-2.0	-117.74	376.91	7.63	-110.11
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000393977	1	40	-2.0	-104.47	368.89	7.63	-96.84
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000393978	1	40	-2.0	-113.14	373.85	7.41	-105.73
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000393979	1	41	-2.0	-113.42	370.65	6.67	-106.75
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000393980	1	40	-2.0	-108.72	372.51	7.42	-101.30
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000393983	0	39	-2.0	-123.38	366.35	8.31	-115.07
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000393984	0	37	-2.0	-120.00	346.29	6.49	-113.51
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000393985	1	40	-2.0	-106.95	363.81	7.01	-99.94
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000393986	1	43	-2.0	-124.27	383.67	8.57	-115.70
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000393987	0	36	-2.0	-111.83	338.85	4.59	-107.24
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000393988	0	41	-2.0	-106.04	370.83	6.26	-99.78
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000393989	0	34	-2.0	-101.48	342.78	5.45	-96.03
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000393990	1	44	-2.0	-107.92	388.75	8.33	-99.59
COC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000393991	1	44	-2.0	-111.68	388.09	8.33	-103.35
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000393992	0	40	-2.0	-107.09	364.76	6.44	-100.65
NC1=CN=NC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1Cl	REAL300000394021	0	33	-2.0	-110.83	336.33	1.55	-109.28
CC1=CN(C)C(=O)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000394103	0	37	-2.0	-113.38	335.23	4.70	-108.68
CC1=CN(C)C(=O)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000394132	0	35	-2.0	-114.96	315.42	2.76	-112.20
CC1=CN(C)C(=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000394140	1	34	-2.0	-108.08	323.24	4.62	-103.46
CC1=CN(C)C(=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000394152	0	34	-2.0	-113.08	333.29	6.65	-106.43
CC1=CN(C)C(=O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000394165	1	31	-2.0	-106.63	311.61	3.46	-103.17
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1	REAL300000394169	0	38	-2.0	-88.57	364.64	-2.00	-90.57
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC=C1F	REAL300000394170	0	31	-2.0	-104.34	312.74	-0.55	-104.89
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC(=O)C=C1	REAL300000394171	0	39	-2.0	-104.35	367.80	0.52	-103.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1	REAL300000394172	0	31	-2.0	-95.01	308.16	-0.57	-95.58
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394173	0	31	-2.0	-106.30	308.18	-0.58	-106.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC(=O)C=C1	REAL300000394174	0	35	-2.0	-110.51	336.33	-0.78	-111.29
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1	REAL300000394175	0	35	-2.0	-94.45	339.63	0.71	-93.74
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1C(=O)[O-]	REAL300000394176	0	34	-2.0	-107.32	324.23	-0.05	-107.37
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394177	0	31	-2.0	-101.45	321.25	-0.02	-101.47
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC=C1Cl	REAL300000394178	0	31	-2.0	-102.46	320.71	-0.19	-102.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1C	REAL300000394179	0	37	-2.0	-108.22	340.86	0.68	-107.54
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394180	0	31	-2.0	-102.55	313.66	-0.52	-103.07
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1	REAL300000394181	0	37	-2.0	-93.34	351.75	1.01	-92.33
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394182	0	28	-2.0	-100.77	301.37	-1.56	-102.33
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC(=O)C=C1	REAL300000394183	0	34	-2.0	-106.26	323.62	0.18	-106.08
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1	REAL300000394184	0	35	-2.0	-93.13	339.25	-0.30	-93.43
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1C(=O)[O-]	REAL300000394185	0	32	-2.0	-105.20	314.83	-1.25	-106.45
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC(=O)C=C1	REAL300000394186	0	35	-2.0	-106.81	331.97	-1.82	-108.63
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394187	0	31	-2.0	-97.42	317.30	-0.90	-98.32
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1C(=O)[O-]	REAL300000394188	0	37	-2.0	-107.51	339.25	0.68	-106.83
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CS1	REAL300000394189	0	28	-2.0	-102.24	299.84	-1.56	-103.80
COC1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000394190	0	39	-2.0	-107.12	366.44	-0.77	-107.89
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1C(=O)[O-]	REAL300000394191	0	35	-2.0	-112.27	335.48	-0.52	-112.79
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394192	0	41	-2.0	-109.67	363.42	1.95	-107.72
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC(=O)C=C1	REAL300000394193	0	40	-2.0	-107.97	362.08	1.38	-106.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC(=O)C=C1	REAL300000394194	0	37	-2.0	-104.36	338.36	0.92	-103.44
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC(=O)C=C1	REAL300000394195	0	38	-2.0	-109.52	358.61	-0.01	-109.53
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC(C(=O)[O-])=C1	REAL300000394196	0	33	-3.0	-180.68	336.60	-0.03	-180.71
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394197	0	38	-2.0	-110.09	352.44	1.30	-108.79
CC1=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C(C(=O)[O-])O1	REAL300000394198	0	31	-2.0	-100.31	311.19	-1.44	-101.75
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC2=C1OCCO2	REAL300000394199	0	37	-2.0	-111.24	350.36	-0.81	-112.05
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394200	0	35	-2.0	-107.62	337.17	-1.49	-109.11
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)C3=NNC(=O)C=C3)C=C2C1	REAL300000394201	0	39	-2.0	-94.15	361.82	0.03	-94.12
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394202	0	31	-2.0	-98.66	325.77	0.00	-98.66
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC=C1OCC(=O)[O-]	REAL300000394203	0	38	-2.0	-93.59	359.34	0.41	-93.18
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC(=O)C=C1	REAL300000394204	0	34	-2.0	-97.51	328.89	0.22	-97.29
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1F	REAL300000394205	0	35	-2.0	-93.01	345.50	-0.23	-93.24
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1C(=O)[O-]	REAL300000394206	0	38	-2.0	-112.91	357.33	0.38	-112.53
CC1=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C(C(=O)[O-])S1	REAL300000394207	0	31	-2.0	-103.12	316.78	-0.68	-103.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C(Cl)=C1	REAL300000394208	0	31	-2.0	-92.68	321.23	-0.03	-92.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1F	REAL300000394209	0	31	-2.0	-94.77	312.71	-0.55	-95.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)S1	REAL300000394210	0	28	-2.0	-96.17	300.46	-1.45	-97.62
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394211	0	31	-2.0	-97.67	314.60	-0.52	-98.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1F	REAL300000394212	0	34	-2.0	-103.91	333.94	0.12	-103.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C(F)=C1	REAL300000394213	0	31	-2.0	-94.20	313.67	-0.51	-94.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1Cl	REAL300000394214	0	31	-2.0	-92.66	320.68	-0.18	-92.84
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC(=O)C=C1	REAL300000394215	0	34	-2.0	-99.01	337.63	0.60	-98.41
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1	REAL300000394216	0	39	-2.0	-91.24	371.92	0.83	-90.41
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC(F)=C1F	REAL300000394217	0	31	-2.0	-96.34	319.02	-0.49	-96.83
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394218	0	33	-2.0	-92.07	336.38	0.09	-91.98
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394219	0	32	-2.0	-104.58	317.90	-2.86	-107.44
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394219	1	31	-3.0	-199.49	314.34	-1.98	-201.47
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1	REAL300000394220	0	34	-2.0	-97.26	330.35	0.20	-97.06
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC(Cl)=C1F	REAL300000394221	0	31	-2.0	-97.65	328.90	-0.05	-97.70
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=NNC(=O)C=C1	REAL300000394222	0	34	-2.0	-103.54	317.73	0.01	-103.53
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC(C(=O)[O-])=C1F	REAL300000394223	0	34	-2.0	-105.67	333.04	0.07	-105.60
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=NNC(=O)C=C1	REAL300000394224	0	34	-2.0	-95.07	323.60	0.17	-94.90
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC(C(=O)[O-])=C1C	REAL300000394225	0	37	-2.0	-110.42	345.68	0.62	-109.80
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC=C1[N+](=O)[O-]	REAL300000394226	0	33	-2.0	-105.75	334.76	0.50	-105.25
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394227	0	31	-2.0	-94.92	319.94	-0.46	-95.38
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C(C)=C1C(=O)[O-]	REAL300000394228	0	37	-2.0	-107.78	342.65	0.79	-106.99
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1C(=O)[O-]	REAL300000394229	0	34	-2.0	-103.55	329.66	0.02	-103.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1Cl	REAL300000394230	0	34	-2.0	-103.06	339.95	0.54	-102.52
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394231	0	34	-2.0	-111.80	333.20	0.11	-111.69
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1C(=O)[O-]	REAL300000394232	0	37	-2.0	-107.88	342.47	0.61	-107.27
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1CC(=O)[O-]	REAL300000394233	0	38	-2.0	-109.77	358.66	-0.46	-110.23
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1=NNC(=O)C=C1	REAL300000394234	0	34	-2.0	-96.88	334.45	0.52	-96.36
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000394235	0	34	-2.0	-104.15	339.43	0.37	-103.78
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1C(=O)[O-]	REAL300000394236	0	35	-2.0	-106.42	336.22	-0.37	-106.79
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C(C)=C1CC(=O)[O-]	REAL300000394237	0	43	-2.0	-105.24	373.18	2.23	-103.01
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1C(=O)[O-]	REAL300000394238	0	34	-2.0	-101.10	341.92	0.49	-100.61
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC=C1C(=O)[O-]	REAL300000394239	0	34	-2.0	-94.99	324.19	-0.05	-95.04
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C([N+](=O)[O-])=C1	REAL300000394240	0	36	-2.0	-99.97	348.90	1.48	-98.49
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC(=O)C=C1	REAL300000394241	0	34	-2.0	-104.06	328.14	0.22	-103.84
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC=C1	REAL300000394242	0	33	-2.0	-114.09	331.93	1.27	-112.82
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC=C1	REAL300000394243	0	31	-2.0	-111.09	311.84	-0.55	-111.64
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C1C(=O)[O-]	REAL300000394244	0	34	-2.0	-99.41	333.12	0.09	-99.32
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=CC2=CC=CC=C21	REAL300000394245	0	37	-2.0	-114.26	349.23	1.55	-112.71
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C1	REAL300000394246	0	30	-2.0	-103.82	304.41	-2.46	-106.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=NNC(=O)C=C1	REAL300000394247	0	35	-2.0	-98.72	336.39	-0.78	-99.50
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)=C(Cl)O1	REAL300000394248	0	28	-2.0	-94.53	308.33	-1.60	-96.13
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3=NNC(=O)C=C3)C=C2)CC1	REAL300000394249	0	38	-2.0	-100.67	354.31	1.31	-99.36
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)C3=NNC(=O)C=C3)C=C2C1	REAL300000394250	0	38	-2.0	-105.12	353.64	1.31	-103.81
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=NNC(=O)C=C2)C=C(C(=O)[O-])O1	REAL300000394251	0	34	-2.0	-100.00	330.34	-0.66	-100.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=CC=C1F	REAL300000394252	0	27	-2.0	-98.88	286.59	3.74	-95.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1	REAL300000394253	0	27	-2.0	-89.12	282.05	3.72	-85.40
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1	REAL300000394254	0	27	-2.0	-101.10	282.06	3.70	-97.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Br)N=C1	REAL300000394255	0	31	-2.0	-106.80	310.20	3.52	-103.28
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1	REAL300000394256	0	31	-2.0	-89.32	313.51	5.01	-84.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1C(=O)[O-]	REAL300000394257	0	30	-2.0	-103.30	302.13	4.35	-98.95
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1	REAL300000394258	0	27	-2.0	-97.31	295.13	4.29	-93.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=CC=C1Cl	REAL300000394259	0	27	-2.0	-97.04	294.57	4.10	-92.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1C	REAL300000394260	0	33	-2.0	-104.85	314.73	5.06	-99.79
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1	REAL300000394261	0	27	-2.0	-98.51	287.54	3.78	-94.73
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1	REAL300000394262	0	33	-2.0	-88.57	325.63	5.29	-83.28
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1	REAL300000394263	0	24	-2.0	-95.34	275.24	2.74	-92.60
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Br)N=C1	REAL300000394264	0	30	-2.0	-102.79	297.50	4.49	-98.30
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1	REAL300000394265	0	31	-2.0	-87.95	313.13	3.99	-83.96
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1C(=O)[O-]	REAL300000394266	0	28	-2.0	-99.40	288.70	3.07	-96.33
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Br)N=C1	REAL300000394267	1	31	-2.0	-103.26	306.27	2.53	-100.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1	REAL300000394268	0	27	-2.0	-91.73	291.17	3.40	-88.33
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1C(=O)[O-]	REAL300000394269	0	33	-2.0	-104.24	313.13	5.05	-99.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=CS1	REAL300000394270	0	24	-2.0	-96.74	273.71	2.75	-93.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1C(=O)[O-]	REAL300000394271	0	31	-2.0	-106.88	309.34	3.79	-103.09
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Br)N=C1	REAL300000394272	0	36	-2.0	-104.94	335.96	5.72	-99.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Br)N=C1	REAL300000394273	0	33	-2.0	-101.65	312.18	5.45	-96.20
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1	REAL300000394274	0	34	-2.0	-106.65	326.31	5.62	-101.03
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C(C(=O)[O-])O1	REAL300000394275	0	27	-2.0	-95.79	285.07	2.86	-92.93
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1	REAL300000394276	0	31	-2.0	-102.03	311.05	2.80	-99.23
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Br)N=C1	REAL300000394277	0	30	-2.0	-93.53	302.77	4.53	-89.00
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C(C(=O)[O-])S1	REAL300000394278	0	27	-2.0	-99.17	291.76	3.60	-95.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C(Cl)=C1	REAL300000394279	0	27	-2.0	-86.77	295.12	4.27	-82.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1F	REAL300000394280	0	27	-2.0	-88.83	286.57	3.76	-85.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)S1	REAL300000394281	0	24	-2.0	-90.52	274.33	2.83	-87.69
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1	REAL300000394282	0	27	-2.0	-92.14	288.47	3.78	-88.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1F	REAL300000394283	0	30	-2.0	-99.88	307.83	4.42	-95.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C(F)=C1	REAL300000394284	0	27	-2.0	-88.14	287.51	3.78	-84.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1Cl	REAL300000394285	0	27	-2.0	-86.79	294.55	4.13	-82.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=CC(F)=C1F	REAL300000394286	0	27	-2.0	-90.66	292.88	3.81	-86.85
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1	REAL300000394287	0	28	-2.0	-102.01	291.77	1.43	-100.58
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1	REAL300000394288	0	30	-2.0	-93.01	304.23	4.49	-88.52
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Br)N=C1	REAL300000394289	0	30	-2.0	-96.83	292.10	4.34	-92.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=CC(C(=O)[O-])=C1F	REAL300000394290	0	30	-2.0	-100.04	306.89	4.36	-95.68
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Br)N=C1	REAL300000394291	0	30	-2.0	-89.75	297.47	4.49	-85.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=CC(C(=O)[O-])=C1C	REAL300000394292	0	33	-2.0	-105.11	318.86	4.88	-100.23
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1	REAL300000394293	0	27	-2.0	-90.24	293.82	3.84	-86.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C(C)=C1C(=O)[O-]	REAL300000394294	0	33	-2.0	-101.34	315.45	5.12	-96.22
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1C(=O)[O-]	REAL300000394295	0	30	-2.0	-99.54	303.54	4.32	-95.22
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1	REAL300000394296	0	30	-2.0	-104.89	307.08	4.40	-100.49
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1C(=O)[O-]	REAL300000394297	0	33	-2.0	-102.70	316.30	4.89	-97.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1C(=O)[O-]	REAL300000394298	0	31	-2.0	-100.62	310.09	3.93	-96.69
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=CC=C1C(=O)[O-]	REAL300000394299	0	30	-2.0	-89.27	298.07	4.27	-85.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Br)N=C1	REAL300000394300	0	30	-2.0	-100.50	302.02	4.53	-95.97
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1F	REAL300000394301	0	27	-2.0	-104.38	285.72	3.74	-100.64
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C1C(=O)[O-]	REAL300000394302	0	30	-2.0	-93.73	307.00	4.39	-89.34
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C1	REAL300000394303	0	26	-2.0	-98.50	278.28	1.84	-96.66
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Br)N=C1	REAL300000394304	0	31	-2.0	-93.22	310.26	3.51	-89.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)=C(Cl)O1	REAL300000394305	0	24	-2.0	-89.40	282.21	2.68	-86.72
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(Br)N=C3)C=C2)CC1	REAL300000394306	0	34	-2.0	-95.98	328.19	5.59	-90.39
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Br)N=C3)C=C2C1	REAL300000394307	0	34	-2.0	-98.03	327.51	5.60	-92.43
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2)C=C(C(=O)[O-])O1	REAL300000394308	0	30	-2.0	-95.96	304.19	3.71	-92.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(Br)=C2)C=C1	REAL300000394309	1	28	-2.0	-88.27	301.78	6.09	-82.18
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(Br)=C2)=C1	REAL300000394310	1	28	-2.0	-100.30	301.79	6.08	-94.22
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C(Br)=C2)=C1	REAL300000394311	0	25	-2.0	-94.80	294.98	5.10	-89.70
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(Br)=C2)C=C1C(=O)[O-]	REAL300000394312	0	29	-2.0	-98.68	308.43	5.44	-93.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(Br)=C2)=CS1	REAL300000394313	0	25	-2.0	-96.26	293.44	5.13	-91.13
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(Br)=C2)C=C(C(=O)[O-])O1	REAL300000394314	0	28	-2.0	-95.08	304.80	5.22	-89.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(Br)=C2)S1	REAL300000394315	0	25	-2.0	-89.88	294.06	5.22	-84.66
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(Br)=C2)=C1	REAL300000394316	0	27	-2.0	-94.83	298.78	4.14	-90.69
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC=C2S1	REAL300000394340	0	39	-2.0	-108.92	350.57	8.42	-100.50
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C2S1	REAL300000394359	0	37	-2.0	-106.45	328.34	6.61	-99.84
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000394391	1	40	-2.0	-110.49	356.56	5.54	-104.95
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000394394	1	36	-2.0	-117.88	325.07	4.27	-113.61
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000394397	1	32	-2.0	-107.70	310.01	5.02	-102.68
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000394399	1	32	-2.0	-103.18	322.50	5.41	-97.77
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000394401	1	32	-2.0	-109.57	302.40	4.52	-105.05
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000394403	0	29	-2.0	-106.32	290.12	3.50	-102.82
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000394408	0	32	-2.0	-102.43	306.04	4.15	-98.28
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000394416	1	39	-2.0	-117.60	347.36	5.03	-112.57
COC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000394417	0	35	-2.0	-109.80	329.93	4.86	-104.94
COC1=CC=C(F)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000394419	1	32	-2.0	-105.90	299.94	3.62	-102.28
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000394421	1	36	-2.0	-113.43	325.85	3.56	-109.87
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000394424	1	32	-2.0	-104.18	314.52	5.05	-99.13
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000394432	1	32	-2.0	-101.36	325.15	5.47	-95.89
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000394433	1	32	-2.0	-96.81	309.98	5.01	-91.80
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000394435	0	29	-2.0	-101.05	289.20	3.60	-97.45
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000394437	1	35	-2.0	-111.08	322.69	5.16	-105.92
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000394438	1	36	-2.0	-101.48	337.24	5.09	-96.39
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000394439	1	32	-2.0	-98.88	302.40	4.53	-94.35
COC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000394445	0	33	-2.0	-113.08	306.71	2.45	-110.63
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000394452	1	34	-2.0	-110.03	323.49	5.54	-104.49
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000394453	1	32	-2.0	-101.06	308.69	4.58	-96.48
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000394455	1	35	-2.0	-111.94	322.25	5.15	-106.79
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000394456	1	35	-2.0	-109.54	328.69	5.59	-103.95
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000394457	1	35	-2.0	-117.24	321.98	5.16	-112.08
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000394465	1	32	-2.0	-99.57	322.55	5.01	-94.56
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000394470	0	37	-2.0	-103.77	340.19	6.64	-97.13
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000394472	0	34	-2.0	-119.45	320.66	6.31	-113.14
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000394473	1	32	-2.0	-116.36	300.56	4.49	-111.87
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000394476	0	31	-2.0	-109.45	293.91	2.54	-106.91
COC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000394477	1	36	-2.0	-103.83	325.14	4.26	-99.57
COC1=CC=C(F)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000394478	0	29	-2.0	-99.63	297.04	3.45	-96.18
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000394481	1	35	-2.0	-105.79	319.06	4.47	-101.32
CNS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000394490	1	39	-2.0	-95.87	356.11	2.09	-93.78
CNS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000394491	1	39	-2.0	-109.24	356.13	2.08	-107.16
CNS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000394492	1	42	-2.0	-107.96	372.15	2.61	-105.35
CNS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000394493	0	36	-2.0	-103.30	349.20	1.10	-102.20
CNS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000394494	1	42	-2.0	-110.55	371.45	2.87	-107.68
CNS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000394495	0	40	-2.0	-107.33	362.92	1.42	-105.91
CNS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000394496	0	36	-2.0	-104.83	347.78	1.11	-103.72
CNS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000394497	0	39	-2.0	-103.02	358.11	1.35	-101.67
CNS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000394498	0	36	-2.0	-97.20	348.38	1.21	-95.99
CNS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000394499	1	42	-2.0	-99.82	378.31	2.85	-96.97
CNS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000394500	1	42	-2.0	-102.87	366.38	2.69	-100.18
CNS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1C	REAL300000394501	1	42	-2.0	-96.14	370.80	2.97	-93.17
CNS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000394502	1	42	-2.0	-95.98	372.20	2.61	-93.37
CNS(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000394503	0	38	-2.0	-105.95	353.00	0.14	-105.81
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1	REAL300000394504	0	35	-2.0	-81.06	345.27	4.18	-76.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CC=C1F	REAL300000394505	1	28	-2.0	-97.60	293.35	5.62	-91.98
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1	REAL300000394506	0	36	-2.0	-99.12	348.44	6.69	-92.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1	REAL300000394507	1	28	-2.0	-86.95	288.79	5.60	-81.35
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394508	1	28	-2.0	-99.87	288.82	5.59	-94.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1	REAL300000394509	0	32	-2.0	-105.34	316.96	5.39	-99.95
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1	REAL300000394510	1	32	-2.0	-86.86	320.26	6.89	-79.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000394511	1	31	-2.0	-100.84	304.84	6.13	-94.71
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394512	0	28	-2.0	-95.96	301.89	6.17	-89.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CC=C1Cl	REAL300000394513	1	28	-2.0	-95.80	301.33	5.99	-89.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C(Cl)C=C1Cl	REAL300000394514	0	28	-2.0	-91.61	314.39	6.55	-85.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1C	REAL300000394515	1	34	-2.0	-101.68	321.49	6.94	-94.74
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394516	0	28	-2.0	-97.25	294.29	5.66	-91.59
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1	REAL300000394517	1	34	-2.0	-87.09	332.38	7.18	-79.91
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394518	0	25	-2.0	-93.26	282.00	4.61	-88.65
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1	REAL300000394519	1	31	-2.0	-99.70	304.25	6.38	-93.32
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1	REAL300000394520	1	32	-2.0	-86.50	319.88	5.88	-80.62
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000394521	0	29	-2.0	-97.24	295.46	4.94	-92.30
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1	REAL300000394522	1	32	-2.0	-101.64	313.02	4.41	-97.23
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394523	0	28	-2.0	-90.55	297.93	5.27	-85.28
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000394524	1	34	-2.0	-100.78	320.28	6.92	-93.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CS1	REAL300000394525	0	25	-2.0	-95.74	280.47	4.64	-91.10
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CC(C(=O)[O-])=C1OC	REAL300000394526	1	36	-2.0	-100.19	347.15	5.40	-94.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000394527	1	32	-2.0	-105.62	316.11	5.66	-99.96
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394528	1	38	-2.0	-104.81	344.05	8.22	-96.59
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1	REAL300000394529	1	37	-2.0	-101.74	342.72	7.59	-94.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1	REAL300000394530	1	34	-2.0	-99.88	318.95	7.31	-92.57
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1	REAL300000394531	0	35	-2.0	-105.29	339.25	6.15	-99.14
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=CC(Cl)=C2)=C1	REAL300000394532	0	31	-2.0	-106.20	323.92	6.00	-100.20
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394532	1	30	-3.0	-172.25	317.22	6.16	-166.09
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394533	1	35	-2.0	-105.09	333.06	7.49	-97.60
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000394534	0	28	-2.0	-93.18	291.82	4.74	-88.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CC2=C1OCCO2	REAL300000394535	1	34	-2.0	-103.36	330.99	5.37	-97.99
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394536	0	32	-2.0	-99.78	317.80	4.69	-95.09
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(Cl)=C3)C=C2C1	REAL300000394537	1	36	-2.0	-86.63	342.46	6.20	-80.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CC(Cl)=C1Cl	REAL300000394538	1	28	-2.0	-88.64	316.51	6.44	-82.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C(Cl)C=C1F	REAL300000394539	0	28	-2.0	-92.87	306.40	6.19	-86.68
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1Cl	REAL300000394540	1	32	-2.0	-85.20	335.93	6.42	-78.78
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CC=C1OCC(=O)[O-]	REAL300000394541	1	35	-2.0	-85.96	339.97	6.58	-79.38
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1	REAL300000394542	1	31	-2.0	-90.60	309.52	6.41	-84.19
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1F	REAL300000394543	1	32	-2.0	-86.18	326.12	5.93	-80.25
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000394544	1	35	-2.0	-106.25	337.96	6.57	-99.68
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000394545	0	28	-2.0	-96.34	298.51	5.48	-90.86
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394546	0	28	-2.0	-88.54	317.04	6.61	-81.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C(Cl)=C1	REAL300000394547	0	28	-2.0	-84.62	301.86	6.15	-78.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1F	REAL300000394548	1	28	-2.0	-87.57	293.34	5.63	-81.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)S1	REAL300000394549	0	25	-2.0	-89.39	281.09	4.72	-84.67
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394550	0	28	-2.0	-89.90	295.22	5.66	-84.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1F	REAL300000394551	0	31	-2.0	-96.99	314.56	6.29	-90.70
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000394552	0	32	-2.0	-89.25	329.12	6.21	-83.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C(F)=C1	REAL300000394553	0	28	-2.0	-86.13	294.28	5.66	-80.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1Cl	REAL300000394554	1	28	-2.0	-85.49	301.31	6.00	-79.49
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1	REAL300000394555	1	31	-2.0	-92.19	318.26	6.80	-85.39
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1	REAL300000394556	0	36	-2.0	-83.85	352.55	7.00	-76.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CC(F)=C1F	REAL300000394557	1	28	-2.0	-88.42	299.65	5.69	-82.73
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394558	0	30	-2.0	-84.19	317.00	6.26	-77.93
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394559	0	29	-2.0	-98.79	298.53	3.31	-95.48
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=CC(Cl)=C2)=C1	REAL300000394559	1	29	-2.0	-100.51	297.72	4.09	-96.42
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1	REAL300000394560	1	31	-2.0	-91.48	310.98	6.38	-85.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CC(Cl)=C1F	REAL300000394561	1	28	-2.0	-89.75	309.54	6.12	-83.63
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1	REAL300000394562	1	31	-2.0	-95.00	298.86	6.24	-88.76
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CC(C(=O)[O-])=C1F	REAL300000394563	1	31	-2.0	-98.77	313.67	6.24	-92.53
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1	REAL300000394564	1	31	-2.0	-87.24	304.23	6.37	-80.87
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CC(C(=O)[O-])=C1C	REAL300000394565	1	34	-2.0	-102.73	326.31	6.79	-95.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CC=C1[N+](=O)[O-]	REAL300000394566	0	30	-2.0	-98.66	315.39	6.68	-91.98
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394567	0	28	-2.0	-87.80	300.57	5.72	-82.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000394568	1	34	-2.0	-100.07	323.30	6.99	-93.08
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000394569	0	31	-2.0	-99.34	314.13	6.29	-93.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1Cl	REAL300000394570	0	31	-2.0	-96.06	320.60	6.73	-89.33
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394571	0	31	-2.0	-103.14	313.85	6.29	-96.85
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000394572	1	34	-2.0	-101.52	322.78	6.77	-94.75
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1CC(=O)[O-]	REAL300000394573	1	35	-2.0	-101.82	339.29	5.72	-96.10
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1	REAL300000394574	1	31	-2.0	-89.36	315.08	6.77	-82.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1C(F)(F)F	REAL300000394575	1	31	-2.0	-83.65	318.94	6.40	-77.25
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000394576	1	31	-2.0	-97.35	320.06	6.55	-90.80
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000394577	0	32	-2.0	-99.46	316.84	5.81	-93.65
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C(C)=C1CC(=O)[O-]	REAL300000394578	1	40	-2.0	-99.84	353.97	8.46	-91.38
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000394579	1	31	-2.0	-93.19	322.56	6.65	-86.54
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000394580	0	37	-2.0	-97.71	338.26	7.73	-89.98
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000394581	0	32	-2.0	-101.32	329.14	6.22	-95.10
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000394582	1	31	-2.0	-86.95	304.82	6.14	-80.81
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C([N+](=O)[O-])=C1	REAL300000394583	0	33	-2.0	-92.64	332.08	7.79	-84.85
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1	REAL300000394584	1	31	-2.0	-98.78	308.77	6.42	-92.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1[N+](=O)[O-]	REAL300000394585	0	30	-2.0	-105.77	312.55	7.44	-98.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1F	REAL300000394586	0	28	-2.0	-102.79	292.48	5.63	-97.16
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000394587	1	31	-2.0	-91.39	313.75	6.27	-85.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=CC2=CC=CC=C21	REAL300000394588	1	34	-2.0	-107.76	329.85	7.71	-100.05
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C1	REAL300000394589	0	27	-2.0	-96.31	285.04	3.73	-92.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1	REAL300000394590	0	32	-2.0	-90.83	317.02	5.39	-85.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)=C(Cl)O1	REAL300000394591	0	25	-2.0	-87.14	288.96	4.57	-82.57
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(Cl)=C3)C=C2)CC1	REAL300000394592	1	35	-2.0	-94.49	334.94	7.48	-87.01
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(Cl)=C3)C=C2C1	REAL300000394593	1	35	-2.0	-96.53	334.26	7.47	-89.06
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000394594	0	31	-2.0	-94.36	310.95	5.59	-88.77
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C1=NC=CO1	REAL300000394597	1	37	-2.0	-112.00	340.75	3.94	-108.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C2=NC=CO2)=C1	REAL300000394598	0	41	-2.0	-116.88	368.89	3.74	-113.14
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C1=NC=CO1	REAL300000394599	1	41	-2.0	-99.21	372.20	5.24	-93.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C1=NC=CO1	REAL300000394601	0	37	-2.0	-107.53	353.65	4.53	-103.00
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C1=NC=CO1	REAL300000394602	1	37	-2.0	-107.75	353.26	4.33	-103.42
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C1=NC=CO1	REAL300000394603	1	43	-2.0	-114.83	373.26	5.31	-109.52
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C1=NC=CO1	REAL300000394604	0	37	-2.0	-109.16	346.06	4.02	-105.14
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C1=NC=CO1	REAL300000394605	1	43	-2.0	-98.25	384.32	5.53	-92.72
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C1=NC=CO1	REAL300000394606	0	34	-2.0	-104.26	330.70	4.03	-100.23
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C1=NC=CO1	REAL300000394607	1	40	-2.0	-112.73	356.01	4.75	-107.98
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C1=NC=CO1	REAL300000394609	1	38	-2.0	-111.01	347.23	3.31	-107.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(C3=NC=CO3)=C2)=C1	REAL300000394611	0	37	-2.0	-102.81	349.83	3.64	-99.17
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C1=NC=CO1	REAL300000394613	0	34	-2.0	-107.78	332.40	2.97	-104.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C2=NC=CO2)=C1	REAL300000394615	1	43	-2.0	-110.09	370.89	5.67	-104.42
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C1=NC=CO1	REAL300000394616	1	44	-2.0	-116.17	384.95	5.85	-110.32
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C3=NC=CO3)=C2)C=C(C(=O)[O-])O1	REAL300000394617	0	37	-2.0	-105.37	343.76	3.08	-102.29
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C(C3=NC=CO3)=C2)=C1	REAL300000394618	0	41	-2.0	-111.13	366.50	4.11	-107.02
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C1=NC=CO1	REAL300000394619	1	40	-2.0	-103.27	361.29	4.78	-98.49
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C3=NC=CO3)=C2)C=C(C(=O)[O-])S1	REAL300000394620	1	37	-2.0	-108.59	349.35	3.83	-104.76
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C1=NC=CO1	REAL300000394621	0	37	-2.0	-95.15	350.56	5.58	-89.57
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C1=NC=CO1	REAL300000394622	1	37	-2.0	-99.24	345.24	3.99	-95.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C1=NC=CO1	REAL300000394623	0	34	-2.0	-101.58	332.98	3.08	-98.50
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C1=NC=CO1	REAL300000394624	1	37	-2.0	-103.44	346.99	4.02	-99.42
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C1=NC=CO1	REAL300000394625	0	40	-2.0	-108.39	363.28	5.73	-102.66
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C1=NC=CO1	REAL300000394626	0	37	-2.0	-96.97	342.98	5.09	-91.88
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C1=NC=CO1	REAL300000394627	1	37	-2.0	-97.30	353.22	4.35	-92.95
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C1=NC=CO1	REAL300000394628	1	37	-2.0	-101.51	351.57	4.03	-97.48
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C1=NC=CO1	REAL300000394629	0	38	-2.0	-110.68	350.46	1.66	-109.02
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C1=NC=CO1	REAL300000394629	1	38	-2.0	-109.58	339.49	2.54	-107.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C1=NC=CO1	REAL300000394630	1	40	-2.0	-102.75	362.92	4.73	-98.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C1=NC=CO1	REAL300000394631	1	40	-2.0	-106.58	347.62	5.66	-100.92
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C1=NC=CO1	REAL300000394635	0	37	-2.0	-98.69	349.27	5.15	-93.54
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C=C1C1=NC=CO1	REAL300000394637	0	40	-2.0	-111.73	365.85	4.66	-107.07
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C3=NC=CO3)=C2)=C1	REAL300000394638	0	40	-2.0	-117.66	365.62	4.64	-113.02
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C3=NC=CO3)=C2)C=C1C(=O)[O-]	REAL300000394640	1	41	-2.0	-111.81	368.59	4.16	-107.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C1=NC=CO1	REAL300000394643	0	37	-2.0	-116.87	344.24	3.99	-112.88
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C1=NC=CO1	REAL300000394644	1	40	-2.0	-105.35	365.93	4.64	-100.71
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C1=NC=CO1	REAL300000394645	0	36	-2.0	-108.66	337.56	2.01	-106.65
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C2=NC=CO2)=C1	REAL300000394646	0	41	-2.0	-104.05	368.78	3.76	-100.29
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C1=NC=CO1	REAL300000394647	0	34	-2.0	-99.63	340.90	2.92	-96.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C1=NC=CO1	REAL300000394648	1	44	-2.0	-105.80	386.87	5.83	-99.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C1=NC=CO1	REAL300000394649	1	44	-2.0	-110.94	386.02	5.83	-105.11
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C3=NC=CO3)=C2)C=C(C(=O)[O-])O1	REAL300000394650	0	40	-2.0	-105.04	362.89	3.93	-101.11
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394651	1	40	-2.0	-133.26	359.72	7.96	-125.30
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394652	1	37	-2.0	-127.31	346.17	7.31	-120.00
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000394653	1	36	-2.0	-125.60	326.93	6.49	-119.11
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000394655	0	31	-2.0	-135.38	299.89	6.95	-128.43
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000394656	0	34	-2.0	-109.21	327.62	6.18	-103.03
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000394656	1	33	-3.0	-186.15	325.06	6.35	-179.80
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000394657	0	30	-2.0	-113.78	302.87	5.28	-108.50
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000394658	1	32	-2.0	-120.11	312.22	7.05	-113.06
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000394659	1	32	-2.0	-117.21	312.41	7.03	-110.18
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000394660	0	31	-2.0	-120.57	313.82	7.22	-113.35
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000394661	0	32	-2.0	-124.49	311.37	6.73	-117.76
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000394662	0	34	-2.0	-121.98	327.16	7.07	-114.91
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000394662	1	33	-3.0	-190.77	324.59	7.23	-183.54
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000394664	1	40	-2.0	-124.23	354.20	6.60	-117.63
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000394665	1	36	-2.0	-119.35	335.48	7.82	-111.53
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000394666	1	34	-2.0	-117.88	330.35	7.64	-110.24
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000394667	1	41	-2.0	-131.16	354.10	9.15	-122.01
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000394668	0	34	-2.0	-104.15	323.92	7.40	-96.75
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000394668	1	33	-3.0	-188.91	319.30	7.19	-181.72
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394669	0	39	-2.0	-137.01	349.33	5.69	-131.32
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1OC	REAL300000394670	1	39	-2.0	-125.55	349.58	5.83	-119.72
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000394671	1	38	-2.0	-130.39	337.14	8.54	-121.85
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(Cl)=CC=C1C	REAL300000394672	0	33	-2.0	-116.74	304.15	5.61	-111.13
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000394673	1	31	-2.0	-117.20	322.77	7.60	-109.60
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000394674	0	34	-2.0	-122.05	322.63	7.03	-115.02
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000394674	1	33	-3.0	-195.89	319.85	7.22	-188.67
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000394675	1	31	-2.0	-116.85	303.56	6.75	-110.10
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000394676	0	31	-2.0	-117.31	314.36	7.57	-109.74
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000394677	1	34	-2.0	-123.74	329.59	7.63	-116.11
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394678	1	34	-2.0	-128.05	312.26	7.29	-120.76
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000394680	0	34	-2.0	-125.74	313.13	7.88	-117.86
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000394681	1	31	-2.0	-122.27	308.12	7.18	-115.09
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394682	1	36	-2.0	-127.37	333.61	7.11	-120.26
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394683	1	37	-2.0	-128.66	326.40	7.97	-120.69
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000394684	1	37	-2.0	-131.72	329.81	7.86	-123.86
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000394685	1	31	-2.0	-116.17	313.45	7.19	-108.98
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394686	1	36	-2.0	-134.03	331.88	7.04	-126.99
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C(C)=C1	REAL300000394687	1	37	-2.0	-123.36	320.76	7.88	-115.48
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394688	1	40	-2.0	-119.95	368.23	8.23	-111.72
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000394689	0	31	-2.0	-122.01	312.92	7.49	-114.52
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300000394690	1	43	-2.0	-129.23	367.59	8.98	-120.25
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300000394691	1	40	-2.0	-128.98	351.61	8.59	-120.39
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394692	1	43	-2.0	-126.43	369.53	9.22	-117.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394693	0	37	-3.0	-217.95	348.20	6.96	-210.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394693	1	38	-2.0	-106.75	343.90	7.31	-99.44
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000394694	0	38	-2.0	-103.30	354.12	8.33	-94.97
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000394694	1	37	-3.0	-187.78	351.51	8.49	-179.29
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000394695	0	28	-2.0	-117.45	300.56	6.26	-111.19
CCCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394696	1	40	-2.0	-127.90	355.99	8.86	-119.04
COC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394697	0	35	-2.0	-129.10	316.18	6.92	-122.18
CC1=CC=C(S(=O)(=O)NC2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000394698	0	37	-2.0	-120.79	339.83	7.94	-112.85
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000394698	1	36	-3.0	-198.05	335.72	7.74	-190.31
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000394699	0	31	-2.0	-124.42	306.55	6.79	-117.63
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000394700	1	31	-2.0	-116.58	324.83	7.65	-108.93
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000394701	0	31	-2.0	-125.58	302.92	7.15	-118.43
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000394702	0	33	-2.0	-118.43	319.61	7.33	-111.10
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394703	0	36	-2.0	-126.39	333.22	7.98	-118.41
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000394704	0	28	-2.0	-125.37	283.21	5.67	-119.70
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394705	1	35	-2.0	-124.30	320.35	5.92	-118.38
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000394706	0	33	-2.0	-138.64	312.22	8.13	-130.51
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394707	1	34	-2.0	-128.23	313.00	7.32	-120.91
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394708	1	38	-2.0	-124.11	342.20	6.85	-117.26
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000394709	0	31	-2.0	-119.25	303.50	6.77	-112.48
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000394710	1	31	-2.0	-121.85	297.80	6.73	-115.12
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000394711	0	31	-2.0	-116.19	304.18	6.75	-109.44
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000394712	1	43	-2.0	-125.79	349.18	9.14	-116.65
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000394713	1	37	-2.0	-127.28	335.87	5.82	-121.46
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394715	1	46	-2.0	-131.57	381.20	9.63	-121.94
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000394716	1	31	-2.0	-119.71	308.32	7.16	-112.55
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000394717	0	33	-2.0	-111.97	319.07	7.30	-104.67
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000394718	1	31	-2.0	-128.70	291.38	6.66	-122.04
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394719	1	38	-2.0	-135.98	347.83	5.53	-130.45
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])S1	REAL300000394720	0	31	-2.0	-126.46	305.23	6.45	-120.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000394721	0	40	-2.0	-108.08	346.60	8.09	-99.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000394721	1	39	-3.0	-213.51	354.54	8.36	-205.15
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394722	0	35	-2.0	-119.94	331.21	7.49	-112.45
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000394723	0	33	-3.0	-192.88	320.91	7.17	-185.71
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300000394724	1	46	-2.0	-127.84	395.06	10.15	-117.69
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300000394725	1	36	-2.0	-117.56	329.86	7.94	-109.62
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000394726	0	31	-2.0	-123.41	298.91	6.67	-116.74
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000394727	0	40	-2.0	-106.77	367.50	8.98	-97.79
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000394727	1	39	-3.0	-185.54	363.31	8.82	-176.72
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394728	1	41	-2.0	-135.89	368.12	6.35	-129.54
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000394729	1	35	-2.0	-122.16	327.34	3.46	-118.70
CSC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394730	1	35	-2.0	-124.61	331.05	7.65	-116.96
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000394731	1	36	-2.0	-122.70	333.63	5.08	-117.62
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000394732	1	39	-2.0	-123.93	350.83	5.83	-118.10
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000394734	0	30	-3.0	-207.20	313.24	6.21	-200.99
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000394735	1	34	-2.0	-122.86	322.60	4.13	-118.73
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394737	0	37	-2.0	-118.91	322.33	6.94	-111.97
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394737	1	36	-3.0	-213.40	333.39	7.88	-205.52
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(Cl)=CC=C1C	REAL300000394738	0	37	-2.0	-119.66	327.42	5.64	-114.02
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000394739	0	39	-2.0	-121.06	354.39	8.46	-112.60
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394740	1	37	-2.0	-120.15	346.36	7.30	-112.85
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394741	1	38	-2.0	-122.71	348.03	4.92	-117.79
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000394742	1	35	-2.0	-122.38	326.10	3.42	-118.96
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394743	1	37	-2.0	-128.05	334.49	8.08	-119.97
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000394744	1	37	-2.0	-132.92	337.54	8.92	-124.00
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=CS1	REAL300000394745	0	34	-2.0	-131.88	323.61	7.03	-124.85
COCCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394746	1	41	-2.0	-126.42	368.17	7.15	-119.27
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000394747	0	38	-2.0	-105.07	355.00	7.68	-97.39
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000394747	1	37	-3.0	-184.08	350.39	7.47	-176.61
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300000394748	1	43	-2.0	-127.79	372.79	9.33	-118.46
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000394749	1	31	-2.0	-118.67	298.00	6.71	-111.96
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000394750	0	31	-2.0	-129.44	297.09	6.70	-122.74
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000394751	1	36	-2.0	-122.21	330.84	7.02	-115.19
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=C(C)C=CC(Cl)=C3C(=O)[O-])=C2N=C1	REAL300000394752	0	39	-2.0	-141.49	352.93	7.92	-133.57
CCCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394753	1	41	-2.0	-123.50	363.70	7.65	-115.85
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C(Cl)=C1	REAL300000394754	0	34	-2.0	-125.77	324.33	7.81	-117.96
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300000394755	1	37	-2.0	-119.95	342.15	3.88	-116.07
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300000394756	1	39	-2.0	-122.36	354.39	7.08	-115.28
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000394757	1	36	-2.0	-116.44	338.76	8.15	-108.29
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300000394758	1	37	-2.0	-116.03	344.97	6.58	-109.45
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394759	1	34	-2.0	-118.49	311.38	7.38	-111.11
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000394760	0	31	-2.0	-116.28	309.30	7.21	-109.07
COC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1OC	REAL300000394762	1	42	-2.0	-126.69	363.67	6.50	-120.19
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000394763	0	34	-3.0	-212.56	326.70	6.55	-206.01
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000394763	1	35	-2.0	-107.70	330.53	6.76	-100.94
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000394764	0	31	-2.0	-129.33	308.85	6.22	-123.11
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000394765	0	36	-2.0	-123.69	333.07	2.84	-120.85
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394766	0	38	-2.0	-118.19	330.98	4.95	-113.24
COCCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394767	1	42	-2.0	-126.25	375.83	6.12	-120.13
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1Cl	REAL300000394768	1	35	-2.0	-123.66	336.37	6.48	-117.18
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000394769	1	35	-2.0	-124.61	326.57	6.00	-118.61
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000394770	1	38	-2.0	-125.98	340.42	6.67	-119.31
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000394771	1	41	-2.0	-125.76	362.27	7.59	-118.17
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C(N)=O	REAL300000394772	1	38	-2.0	-119.84	341.47	4.08	-115.76
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C(N)=O	REAL300000394773	1	39	-2.0	-119.73	352.67	4.00	-115.73
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000394774	0	31	-2.0	-118.60	296.26	4.34	-114.26
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394775	0	36	-2.0	-109.07	327.58	7.88	-101.19
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CN1C	REAL300000394777	0	39	-2.0	-124.51	355.01	4.33	-120.18
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394778	1	34	-2.0	-124.02	321.72	7.83	-116.19
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300000394779	1	44	-2.0	-123.78	383.80	8.35	-115.43
COC1=C(C)C=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000394781	1	41	-2.0	-127.65	365.00	7.53	-120.12
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394782	0	33	-3.0	-189.93	329.02	6.91	-183.02
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000394783	1	32	-2.0	-114.40	327.08	7.43	-106.97
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000394784	1	32	-2.0	-116.03	327.08	7.43	-108.60
CC1=CC(C)=C(S(=O)(=O)NC2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000394785	0	40	-2.0	-107.80	346.55	8.11	-99.69
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000394785	1	39	-3.0	-215.63	347.78	8.44	-207.19
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000394786	1	35	-2.0	-138.76	329.75	7.03	-131.73
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1Cl	REAL300000394787	1	34	-2.0	-121.12	326.32	7.74	-113.38
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000394788	0	31	-2.0	-130.89	310.77	7.16	-123.73
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC=C1OC(C)C	REAL300000394789	1	44	-2.0	-126.21	380.40	8.23	-117.98
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000394790	1	34	-2.0	-120.28	317.57	7.33	-112.95
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394791	1	34	-2.0	-119.67	321.72	7.82	-111.85
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394792	0	34	-2.0	-131.98	314.01	7.29	-124.69
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394793	1	34	-2.0	-124.97	311.39	7.38	-117.59
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCCl)C=C1	REAL300000394794	1	37	-2.0	-125.73	351.65	8.71	-117.02
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300000394795	0	36	-2.0	-138.02	323.36	9.02	-129.00
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300000394796	1	41	-2.0	-132.56	363.69	6.50	-126.06
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394797	0	39	-2.0	-142.92	352.70	7.94	-134.98
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000394798	0	30	-3.0	-191.41	311.40	6.27	-185.14
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000394798	1	31	-2.0	-118.78	314.26	6.08	-112.70
COC1=CC=C(S(=O)(=O)NC2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000394799	0	38	-2.0	-114.43	351.20	7.46	-106.97
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000394799	1	37	-3.0	-225.24	347.34	7.27	-217.97
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300000394800	1	39	-2.0	-125.23	337.99	7.89	-117.34
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC=C1O	REAL300000394801	1	38	-2.0	-123.59	354.46	5.32	-118.27
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000394802	0	33	-2.0	-127.98	311.21	8.46	-119.52
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000394803	0	33	-2.0	-127.32	324.94	7.97	-119.35
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394806	0	35	-2.0	-127.77	322.78	4.97	-122.80
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000394807	0	28	-2.0	-115.89	273.17	3.03	-112.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394808	0	40	-2.0	-109.59	341.73	7.72	-101.87
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394808	1	39	-3.0	-185.92	340.68	8.47	-177.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])S1	REAL300000394809	0	34	-2.0	-118.56	339.30	6.42	-112.14
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000394810	0	39	-2.0	-132.66	347.03	8.95	-123.71
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000394811	0	35	-2.0	-115.67	329.40	7.01	-108.66
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000394812	0	31	-2.0	-122.38	305.97	7.00	-115.38
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000394813	0	33	-3.0	-184.13	319.27	6.29	-177.84
CC1=C(S(=O)(=O)NC2=C(C(=O)[O-])C(Cl)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000394813	1	34	-2.0	-117.57	312.01	5.44	-112.13
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000394814	0	34	-2.0	-152.84	319.62	5.85	-146.99
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394815	0	41	-2.0	-126.95	352.25	8.34	-118.61
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000394816	1	36	-2.0	-130.67	339.69	6.83	-123.84
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000394817	0	33	-2.0	-145.18	315.69	8.37	-136.81
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394818	0	37	-3.0	-214.34	343.21	6.79	-207.55
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394818	1	38	-2.0	-118.20	341.43	6.62	-111.58
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000394819	0	38	-2.0	-123.88	352.29	7.74	-116.14
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000394820	0	30	-2.0	-116.25	293.01	4.91	-111.34
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394821	0	34	-2.0	-130.01	339.65	6.30	-123.71
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394822	0	39	-2.0	-110.05	340.60	8.57	-101.48
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300000394823	1	36	-2.0	-122.22	319.50	6.86	-115.36
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000394824	0	30	-2.0	-113.99	315.01	5.71	-108.28
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000394825	0	31	-2.0	-139.78	295.40	5.76	-134.02
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C(Cl)=CC=C3C)C=C12	REAL300000394827	1	39	-2.0	-118.94	357.69	6.36	-112.58
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C(Cl)=CC=C3C)C=C12	REAL300000394828	0	35	-2.0	-116.90	330.62	3.61	-113.29
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000394829	0	31	-2.0	-110.62	306.95	5.17	-105.45
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000394830	0	31	-2.0	-133.33	300.88	6.73	-126.60
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C(F)=C1	REAL300000394831	0	35	-2.0	-129.89	329.57	6.22	-123.67
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000394832	0	37	-2.0	-131.96	334.72	6.24	-125.72
CC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)=CN1C	REAL300000394833	0	34	-2.0	-132.45	314.59	5.55	-126.90
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000394834	0	35	-2.0	-129.03	329.60	6.66	-122.37
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394835	1	40	-2.0	-136.08	368.25	8.22	-127.86
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000394836	0	34	-2.0	-119.58	317.14	5.22	-114.36
COCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394837	1	38	-2.0	-129.58	346.46	6.38	-123.20
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000394838	1	36	-2.0	-127.09	326.98	5.94	-121.15
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000394839	0	31	-2.0	-116.84	304.02	7.11	-109.73
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300000394841	1	39	-2.0	-124.70	348.16	7.24	-117.46
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000394842	0	35	-2.0	-116.69	335.68	3.51	-113.18
CC1=NNC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(Cl)=CC=C1C	REAL300000394843	0	31	-2.0	-118.23	291.79	3.68	-114.55
COC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394844	1	35	-2.0	-128.57	320.88	5.96	-122.61
CC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394845	1	34	-2.0	-122.58	308.46	7.24	-115.34
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000394846	0	31	-2.0	-135.16	296.57	4.17	-130.99
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000394847	0	31	-2.0	-118.20	291.31	4.29	-113.91
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C(F)=C1	REAL300000394853	0	34	-2.0	-129.54	318.51	7.38	-122.16
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC=C1F	REAL300000394854	1	34	-2.0	-119.92	318.31	7.34	-112.58
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000394855	0	28	-2.0	-128.72	272.69	4.05	-124.67
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])O1	REAL300000394856	0	34	-2.0	-124.69	330.93	5.46	-119.23
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000394857	0	36	-2.0	-140.67	327.87	7.57	-133.10
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000394858	0	31	-2.0	-116.17	307.28	6.78	-109.39
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000394859	0	33	-3.0	-207.31	329.75	7.10	-200.21
CC1=C(S(=O)(=O)NC2=C(C(=O)[O-])C(Cl)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000394859	1	34	-2.0	-105.86	325.17	6.78	-99.08
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000394860	1	40	-2.0	-125.97	352.61	7.85	-118.12
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394861	0	35	-2.0	-123.34	327.08	6.35	-116.99
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CN=C1Cl	REAL300000394862	0	33	-2.0	-116.49	322.04	5.88	-110.61
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394864	1	40	-2.0	-135.79	368.55	8.09	-127.70
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(Cl)=CC=C1C	REAL300000394866	0	43	-2.0	-126.45	369.99	7.23	-119.22
CC1=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])SC=C1	REAL300000394867	0	31	-2.0	-125.99	301.80	6.28	-119.71
CCN1N=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000394868	0	40	-2.0	-120.04	349.20	6.50	-113.54
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000394869	1	40	-2.0	-121.98	362.22	7.85	-114.13
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000394870	0	36	-2.0	-112.99	335.13	7.81	-105.18
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000394873	1	39	-2.0	-148.68	350.86	5.12	-143.56
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394874	1	35	-2.0	-123.07	325.76	7.70	-115.37
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC=C1C	REAL300000394875	1	41	-2.0	-143.51	365.31	6.40	-137.11
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394876	0	35	-2.0	-123.19	329.26	7.11	-116.08
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394877	1	35	-2.0	-116.88	325.74	7.69	-109.19
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000394879	0	32	-2.0	-117.94	317.88	7.10	-110.84
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC(Cl)=C3C(=O)[O-])C=C2O1	REAL300000394880	1	36	-2.0	-127.74	335.03	4.32	-123.42
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000394881	0	37	-2.0	-125.75	336.19	5.72	-120.03
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000394882	1	36	-2.0	-130.05	332.03	7.04	-123.01
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000394883	0	37	-2.0	-133.97	350.41	5.43	-128.54
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000394884	0	37	-2.0	-128.68	335.39	5.09	-123.59
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1[N+](=O)[O-]	REAL300000394885	0	34	-2.0	-126.43	325.58	8.78	-117.65
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000394889	1	31	-2.0	-109.96	310.42	6.83	-103.13
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300000394890	1	42	-2.0	-125.76	373.30	8.46	-117.30
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CN1C	REAL300000394892	0	38	-2.0	-124.90	352.45	6.77	-118.13
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394893	1	46	-2.0	-129.37	381.81	9.45	-119.92
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000394894	0	34	-2.0	-111.59	327.14	7.09	-104.50
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000394894	1	33	-3.0	-189.60	323.83	7.22	-182.38
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394895	1	41	-2.0	-133.54	358.80	6.92	-126.62
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC(C)=C1F	REAL300000394896	1	37	-2.0	-121.17	338.62	7.98	-113.19
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000394897	0	30	-3.0	-194.51	312.15	6.34	-188.17
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000394898	0	40	-2.0	-136.92	355.56	7.59	-129.33
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000394899	0	34	-2.0	-102.34	330.33	7.46	-94.88
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000394899	1	33	-3.0	-204.74	325.96	7.24	-197.50
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CN1	REAL300000394900	0	35	-2.0	-121.81	334.79	5.01	-116.80
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000394901	0	33	-3.0	-187.09	325.51	7.27	-179.82
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000394902	1	34	-2.0	-121.88	305.18	7.26	-114.62
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC=C1C	REAL300000394903	1	40	-2.0	-120.89	361.71	7.81	-113.08
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CS1	REAL300000394904	0	34	-2.0	-120.61	338.34	6.32	-114.29
CC1=NC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])S1	REAL300000394905	0	33	-2.0	-122.98	318.10	5.15	-117.83
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000394906	1	35	-2.0	-133.88	333.87	7.81	-126.07
CC(=O)NC1=CC(S(=O)(=O)NC2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC=C1[O-]	REAL300000394907	1	39	-2.0	-116.11	357.10	3.39	-112.72
CCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394908	1	37	-2.0	-129.55	334.28	8.09	-121.46
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394909	1	34	-2.0	-127.70	319.20	7.39	-120.31
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394911	0	37	-2.0	-123.87	349.31	6.10	-117.77
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000394912	1	37	-2.0	-121.24	342.45	5.71	-115.53
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300000394913	1	42	-2.0	-126.07	368.54	7.87	-118.20
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C(F)C=C1F	REAL300000394914	0	34	-2.0	-124.45	321.29	7.36	-117.09
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000394915	1	37	-2.0	-135.03	329.53	8.84	-126.19
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000394916	0	33	-2.0	-125.84	323.00	6.13	-119.71
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000394917	0	34	-3.0	-208.77	329.77	4.88	-203.89
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000394917	1	34	-3.0	-198.83	321.84	5.60	-193.23
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000394918	1	41	-2.0	-128.56	340.40	9.11	-119.45
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000394919	0	37	-2.0	-110.56	346.10	8.18	-102.38
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000394919	1	36	-3.0	-191.98	342.24	7.98	-184.00
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])O1	REAL300000394920	0	37	-2.0	-117.88	352.99	6.36	-111.52
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000394921	0	33	-2.0	-117.14	325.71	7.36	-109.78
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300000394922	0	34	-2.0	-121.33	336.00	7.15	-114.18
COC1=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])SC=C1	REAL300000394924	0	32	-2.0	-133.39	312.88	5.36	-128.03
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)OC2=CC=C(F)C=C12	REAL300000394925	0	37	-2.0	-121.50	344.07	7.94	-113.56
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000394926	0	34	-2.0	-129.16	321.34	7.03	-122.13
CC1=NC2=C(S(=O)(=O)[N-]C3=C(C)C=CC(Cl)=C3C(=O)[O-])C=CC=C2C=C1	REAL300000394927	0	39	-2.0	-143.27	353.11	7.88	-135.39
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394928	0	33	-2.0	-124.37	319.85	5.09	-119.28
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000394930	0	31	-2.0	-111.01	306.03	5.62	-105.39
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000394931	0	31	-2.0	-122.98	311.90	5.46	-117.52
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394932	0	39	-2.0	-131.35	350.35	5.24	-126.11
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000394933	0	32	-2.0	-125.66	307.43	5.38	-120.28
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000394934	0	32	-2.0	-110.57	307.96	4.60	-105.97
CC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])S1	REAL300000394935	0	30	-2.0	-121.91	299.92	4.49	-117.42
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000394936	0	37	-2.0	-121.24	324.55	7.41	-113.83
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000394936	1	36	-3.0	-197.99	331.76	7.87	-190.12
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394938	0	37	-2.0	-109.00	329.41	7.55	-101.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394938	1	36	-3.0	-183.08	327.66	7.78	-175.30
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300000394939	0	32	-2.0	-121.28	320.88	7.32	-113.96
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000394940	0	34	-2.0	-125.87	323.80	7.41	-118.46
CC1=CC(S(=O)(=O)NC2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000394941	0	40	-2.0	-121.50	356.54	8.47	-113.03
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000394941	1	39	-3.0	-200.80	352.82	8.28	-192.52
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000394942	0	34	-2.0	-124.07	336.71	8.12	-115.95
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1CC	REAL300000394943	1	43	-2.0	-130.23	367.91	9.19	-121.04
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000394945	0	30	-2.0	-116.62	309.23	6.05	-110.57
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000394946	0	37	-2.0	-139.36	336.83	7.05	-132.31
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000394947	0	36	-2.0	-115.55	341.74	5.48	-110.07
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000394948	0	30	-2.0	-109.72	310.38	5.67	-104.05
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000394949	0	40	-2.0	-130.23	347.15	8.21	-122.02
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000394949	1	39	-3.0	-202.15	350.72	8.53	-193.62
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394950	1	39	-2.0	-144.55	354.68	7.91	-136.64
COCCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000394951	0	38	-2.0	-118.09	350.81	4.27	-113.82
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000394952	0	36	-2.0	-122.95	337.70	7.19	-115.76
CCC1=CC=C(S(=O)(=O)NC2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000394953	0	40	-2.0	-124.16	356.74	8.25	-115.91
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000394953	1	39	-3.0	-221.32	353.93	8.38	-212.94
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000394954	0	42	-2.0	-123.64	368.22	5.20	-118.44
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1C#N	REAL300000394956	0	35	-2.0	-137.13	320.24	7.47	-129.66
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000394957	0	40	-2.0	-128.17	364.41	8.30	-119.87
CCCN1C=NC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394958	0	37	-2.0	-134.48	339.07	7.40	-127.08
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000394959	0	39	-2.0	-119.13	349.13	4.38	-114.75
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1F	REAL300000394960	0	34	-2.0	-130.78	317.40	7.35	-123.43
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000394961	0	37	-2.0	-118.16	340.04	4.26	-113.90
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000394962	0	38	-2.0	-134.24	337.37	6.68	-127.56
COCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000394963	1	38	-2.0	-127.88	346.35	6.40	-121.48
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394964	0	36	-2.0	-129.76	330.86	3.59	-126.17
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1Cl	REAL300000394965	0	34	-2.0	-126.90	321.65	7.72	-119.18
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C(C)O1	REAL300000394967	0	34	-2.0	-126.35	314.27	6.21	-120.14
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300000394968	0	37	-2.0	-128.29	335.13	4.34	-123.95
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000394969	1	39	-2.0	-129.04	345.09	7.29	-121.75
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394970	1	38	-2.0	-125.49	337.70	6.66	-118.83
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300000394971	1	41	-2.0	-124.53	360.33	7.49	-117.04
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])O1	REAL300000394972	0	31	-2.0	-129.94	295.98	5.47	-124.47
CC1=C(C)SC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394973	0	34	-2.0	-127.85	324.55	7.03	-120.82
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000394974	1	34	-2.0	-126.46	317.64	5.30	-121.16
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300000394975	0	39	-2.0	-135.67	337.90	8.29	-127.38
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000394976	0	37	-2.0	-130.42	335.36	8.50	-121.92
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000394977	0	33	-2.0	-112.78	323.59	7.32	-105.46
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000394978	0	31	-2.0	-116.96	314.23	7.21	-109.75
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C(C)O1	REAL300000394979	0	37	-2.0	-123.46	349.09	6.19	-117.27
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000394980	0	30	-2.0	-116.96	303.36	5.33	-111.63
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])N=C1C	REAL300000394981	0	37	-2.0	-140.20	337.27	6.43	-133.77
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394982	0	34	-2.0	-124.60	319.04	7.71	-116.89
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000394983	0	37	-3.0	-196.31	348.06	7.41	-188.90
CCN1C=C(S(=O)(=O)NC2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000394983	1	38	-2.0	-118.86	351.89	7.63	-111.23
COC(=O)C1=COC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394984	0	34	-2.0	-124.77	331.28	5.41	-119.36
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394985	0	43	-2.0	-126.69	366.98	7.18	-119.51
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000394986	1	39	-2.0	-122.53	346.21	8.50	-114.03
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000394987	0	31	-2.0	-125.08	306.48	7.43	-117.65
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C(Cl)=N1	REAL300000394988	0	33	-2.0	-122.40	319.76	5.90	-116.50
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000394989	0	36	-2.0	-117.51	335.18	7.36	-110.15
CCC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])S1	REAL300000394990	0	33	-2.0	-121.87	321.40	5.24	-116.63
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C)C=CC(Cl)=C3C(=O)[O-])C=C12	REAL300000394991	0	38	-2.0	-116.22	352.10	4.34	-111.88
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)S1	REAL300000394992	0	33	-2.0	-126.20	329.56	6.98	-119.22
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CN=C1Cl	REAL300000394994	0	34	-2.0	-116.05	331.95	4.58	-111.47
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000394995	0	33	-2.0	-111.86	325.73	5.88	-105.98
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(Cl)=CC=C1C	REAL300000394996	0	46	-2.0	-125.72	390.09	8.11	-117.61
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C(C)=C1F	REAL300000394997	1	38	-2.0	-120.19	339.59	6.65	-113.54
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000394998	0	32	-2.0	-114.83	323.60	7.54	-107.29
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000394999	0	34	-2.0	-135.15	319.52	6.97	-128.18
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395000	0	36	-2.0	-120.37	341.56	5.49	-114.88
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000395001	0	28	-2.0	-117.84	295.97	5.37	-112.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000395002	1	39	-2.0	-128.40	347.55	8.52	-119.88
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300000395003	0	31	-2.0	-121.50	312.18	7.03	-114.47
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395007	0	31	-2.0	-118.82	320.40	6.87	-111.95
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000395008	1	34	-2.0	-126.60	323.57	7.53	-119.07
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000395009	0	34	-2.0	-116.71	328.98	5.55	-111.16
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395010	0	35	-2.0	-124.16	319.01	7.49	-116.67
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC=C1F	REAL300000395011	1	35	-2.0	-117.91	326.57	6.00	-111.91
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000395012	0	30	-2.0	-131.15	299.04	7.22	-123.93
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000395013	0	28	-2.0	-127.85	274.07	4.65	-123.20
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000395014	0	30	-2.0	-113.98	284.85	3.10	-110.88
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000395015	1	36	-2.0	-122.51	335.78	5.78	-116.73
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000395016	0	30	-2.0	-111.10	312.45	6.43	-104.67
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000395018	1	39	-2.0	-130.44	358.67	4.86	-125.58
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000395019	0	35	-2.0	-131.80	319.71	6.07	-125.73
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000395020	0	32	-2.0	-115.31	318.37	7.44	-107.87
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000395021	0	34	-2.0	-116.49	335.01	5.73	-110.76
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395022	1	37	-2.0	-124.06	319.95	8.28	-115.78
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000395024	0	35	-2.0	-141.58	322.07	6.53	-135.05
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(Cl)=CC=C1C	REAL300000395025	0	44	-2.0	-120.81	382.17	8.17	-112.64
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C(C)C=CN=C12	REAL300000395026	0	39	-2.0	-141.51	349.47	7.83	-133.68
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000395028	0	32	-2.0	-129.36	316.36	4.95	-124.41
COC1=CN=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395029	0	34	-2.0	-123.41	316.18	4.11	-119.30
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-])OCO2	REAL300000395031	1	37	-2.0	-121.31	334.48	5.89	-115.42
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300000395033	1	41	-2.0	-124.28	360.56	6.20	-118.08
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])S1	REAL300000395035	0	34	-2.0	-133.22	336.55	4.11	-129.11
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])S1	REAL300000395035	1	33	-3.0	-200.91	333.04	3.01	-197.90
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000395036	1	35	-2.0	-131.21	322.36	7.80	-123.41
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000395037	1	35	-2.0	-131.93	333.63	7.83	-124.10
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000395038	0	31	-2.0	-117.44	319.64	7.66	-109.78
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)C(N)=NO1	REAL300000395040	0	32	-2.0	-114.57	298.60	4.02	-110.55
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395041	0	35	-2.0	-129.86	336.58	6.92	-122.94
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000395042	0	32	-2.0	-115.52	318.61	5.40	-110.12
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395045	1	38	-2.0	-131.22	334.47	6.61	-124.61
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000395047	0	29	-2.0	-115.50	303.94	6.21	-109.29
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000395048	0	33	-2.0	-122.14	308.19	5.48	-116.66
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000395049	0	36	-2.0	-130.98	332.57	7.03	-123.95
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC=C1C#N	REAL300000395050	1	35	-2.0	-116.35	330.82	7.52	-108.83
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000395051	0	30	-2.0	-109.66	308.84	5.31	-104.35
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C(F)=C1	REAL300000395053	0	35	-2.0	-125.83	326.57	6.00	-119.83
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000395055	1	34	-2.0	-126.93	325.78	7.57	-119.36
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)N(C)N=C1	REAL300000395057	0	34	-2.0	-116.88	306.04	5.05	-111.83
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000395059	0	29	-2.0	-122.05	295.31	5.21	-116.84
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000395060	0	28	-2.0	-124.28	282.49	5.57	-118.71
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000395061	0	28	-2.0	-122.90	273.63	4.51	-118.39
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395062	0	42	-2.0	-135.72	374.92	6.12	-129.60
CC1=CC(S(=O)(=O)NC2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000395063	0	37	-2.0	-108.68	338.77	7.60	-101.08
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000395063	1	36	-3.0	-188.94	335.38	7.73	-181.21
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=N1	REAL300000395064	0	34	-2.0	-118.09	318.77	3.33	-114.76
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000395065	0	31	-2.0	-123.95	309.24	7.12	-116.83
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395067	0	42	-2.0	-123.82	369.93	7.75	-116.07
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300000395068	0	34	-2.0	-128.18	326.77	7.95	-120.23
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300000395069	0	42	-2.0	-138.66	369.32	7.87	-130.79
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000395070	0	34	-2.0	-130.14	316.64	5.43	-124.71
CCOC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395071	1	38	-2.0	-128.74	342.74	6.88	-121.86
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000395072	0	31	-2.0	-119.14	312.37	7.46	-111.68
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395073	1	37	-2.0	-149.08	335.82	4.21	-144.87
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC(Cl)=C3C(=O)[O-])C=C2C=C1	REAL300000395074	1	40	-2.0	-131.52	358.87	9.57	-121.95
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000395075	0	28	-2.0	-120.28	298.84	6.09	-114.19
CC1=CSC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395076	0	31	-2.0	-124.65	304.63	6.32	-118.33
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000395077	0	28	-2.0	-119.00	285.11	3.35	-115.65
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000395078	0	30	-2.0	-115.30	298.51	4.76	-110.54
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000395079	0	40	-2.0	-122.65	356.20	5.74	-116.91
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000395080	0	40	-2.0	-119.02	360.75	5.19	-113.83
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300000395081	1	39	-2.0	-125.53	351.77	7.62	-117.91
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000395082	0	34	-2.0	-122.83	327.77	7.10	-115.73
CC1=NSC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395083	0	30	-2.0	-116.48	300.08	4.93	-111.55
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300000395085	1	35	-2.0	-160.44	322.53	3.94	-156.50
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000395086	1	38	-2.0	-127.82	340.29	8.75	-119.07
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000395087	0	28	-2.0	-122.34	289.14	5.67	-116.67
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300000395088	0	34	-2.0	-125.18	321.04	5.27	-119.91
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000395089	1	40	-2.0	-130.25	355.82	8.25	-122.00
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000395090	1	32	-2.0	-115.12	317.57	7.06	-108.06
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)N=S(C)(C)=O	REAL300000395093	1	31	-2.0	-156.25	296.77	2.61	-153.64
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000395094	0	31	-2.0	-117.44	324.00	6.84	-110.60
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000395095	0	28	-2.0	-122.56	273.01	3.23	-119.33
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000395096	0	36	-2.0	-131.95	328.58	3.57	-128.38
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])S1	REAL300000395097	0	34	-2.0	-128.37	324.23	7.07	-121.30
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CN=C1C	REAL300000395098	0	39	-2.0	-117.71	357.31	5.97	-111.74
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000395099	0	32	-2.0	-110.92	314.98	5.49	-105.43
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000395100	0	33	-2.0	-113.96	311.97	5.86	-108.10
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395101	1	40	-2.0	-134.15	368.34	8.10	-126.05
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)C=NN1C	REAL300000395105	0	34	-2.0	-115.03	305.08	4.72	-110.31
C=CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000395106	1	35	-2.0	-128.37	322.68	7.73	-120.64
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(Cl)=CC=C1C	REAL300000395107	0	34	-2.0	-121.34	307.93	4.84	-116.50
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000395108	0	31	-2.0	-113.94	307.46	5.23	-108.71
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300000395110	1	36	-2.0	-126.01	338.02	3.83	-122.18
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000395112	0	31	-2.0	-116.07	304.25	4.05	-112.02
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000395113	0	37	-2.0	-122.24	333.30	6.28	-115.96
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300000395115	1	38	-2.0	-129.03	347.07	6.40	-122.63
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC=C1Cl	REAL300000395116	1	35	-2.0	-118.91	336.38	6.48	-112.43
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC(N)=O)S1	REAL300000395117	0	35	-2.0	-135.04	343.18	3.28	-131.76
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000395118	0	33	-3.0	-202.70	323.71	7.23	-195.47
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000395119	0	28	-2.0	-129.69	292.05	4.59	-125.10
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000395120	0	33	-2.0	-135.31	322.79	6.05	-129.26
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000395121	1	36	-2.0	-133.38	327.52	6.46	-126.92
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000395123	0	37	-2.0	-137.91	337.38	8.87	-129.04
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000395124	0	34	-2.0	-124.03	315.02	8.01	-116.02
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000395125	0	36	-2.0	-135.90	325.58	6.85	-129.05
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C(F)=C1	REAL300000395131	0	34	-2.0	-133.39	320.97	7.61	-125.78
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000395132	0	30	-2.0	-115.55	314.90	5.77	-109.78
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000395133	1	36	-2.0	-121.99	335.24	5.10	-116.89
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395135	0	35	-2.0	-130.75	326.25	6.46	-124.29
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000395136	1	39	-2.0	-130.19	353.56	8.47	-121.72
COC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1Cl	REAL300000395138	0	34	-2.0	-116.24	334.85	3.87	-112.37
CC1=NOC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(Cl)=CC=C1C	REAL300000395139	0	30	-2.0	-113.83	288.39	4.60	-109.23
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CC=C1Cl	REAL300000395140	1	34	-2.0	-121.22	327.06	7.74	-113.48
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000395141	1	37	-2.0	-132.25	339.11	7.63	-124.62
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000395142	0	33	-2.0	-126.20	321.04	7.51	-118.69
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)N=S(C)(=O)N(C)C	REAL300000395143	1	36	-2.0	-138.07	332.99	2.65	-135.42
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000395144	1	34	-2.0	-116.68	333.41	4.83	-111.85
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000395145	0	30	-2.0	-125.04	292.09	4.82	-120.22
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000395148	0	30	-2.0	-112.29	292.42	4.80	-107.49
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000395150	0	29	-2.0	-123.92	301.98	6.04	-117.88
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000395153	1	31	-2.0	-117.74	313.45	7.20	-110.54
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000395154	0	40	-2.0	-133.14	353.29	6.96	-126.18
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000395155	0	39	-2.0	-136.15	343.79	7.80	-128.35
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395161	1	38	-2.0	-133.50	347.01	4.05	-129.45
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(=O)NC1=O	REAL300000395162	1	34	-2.0	-120.01	319.84	3.30	-116.71
CC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)N1C	REAL300000395165	0	34	-2.0	-125.80	310.90	5.63	-120.17
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395166	1	44	-2.0	-129.08	382.94	8.37	-120.71
CCC1=NC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CN1CC1CC1	REAL300000395169	0	44	-2.0	-141.11	385.84	8.42	-132.69
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])O1	REAL300000395170	0	37	-2.0	-125.59	348.86	6.02	-119.57
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000395171	0	34	-2.0	-124.97	331.33	6.13	-118.84
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300000395172	1	39	-2.0	-115.99	357.01	8.79	-107.20
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300000395173	0	34	-2.0	-113.55	332.67	5.27	-108.28
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000395174	0	30	-2.0	-116.82	308.97	5.25	-111.57
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C(F)=C1F	REAL300000395176	0	34	-2.0	-125.30	323.72	7.42	-117.88
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000395178	0	33	-2.0	-136.34	319.22	5.45	-130.89
CCCCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C(C)=N1	REAL300000395179	0	43	-2.0	-123.07	375.77	7.34	-115.73
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000395180	0	32	-3.0	-201.26	317.04	5.26	-196.00
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395181	0	35	-2.0	-123.62	317.54	6.75	-116.87
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000395182	1	43	-2.0	-120.75	369.08	8.88	-111.87
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000395183	0	32	-2.0	-114.08	318.33	7.08	-107.00
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300000395184	0	34	-2.0	-115.96	315.78	5.07	-110.89
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000395185	0	33	-2.0	-119.69	314.86	5.69	-114.00
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000395185	1	33	-2.0	-134.89	312.76	5.77	-129.12
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300000395186	0	35	-2.0	-131.11	325.33	6.61	-124.50
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000395187	0	41	-2.0	-122.50	350.06	6.72	-115.78
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000395188	0	43	-2.0	-120.40	354.47	6.94	-113.46
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000395190	0	41	-2.0	-122.44	358.84	6.99	-115.45
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300000395191	0	34	-2.0	-111.04	322.35	5.44	-105.60
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000395193	0	32	-2.0	-123.37	307.77	4.37	-119.00
CC1=CC=C(Cl)C(C(=O)[O-])=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000395193	1	32	-2.0	-103.46	299.85	5.08	-98.38
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000395194	1	41	-2.0	-127.51	368.80	9.42	-118.09
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395195	0	37	-2.0	-120.15	328.23	5.55	-114.60
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000395196	0	36	-2.0	-129.37	336.64	7.11	-122.26
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000395197	0	31	-2.0	-116.49	296.06	3.99	-112.50
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C(C#N)=C1	REAL300000395198	0	35	-2.0	-133.82	321.52	7.60	-126.22
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C#N	REAL300000395199	0	35	-2.0	-134.18	321.08	7.78	-126.40
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000395200	1	34	-2.0	-117.74	328.27	7.54	-110.20
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000395202	1	38	-2.0	-129.57	355.36	8.60	-120.97
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300000395203	1	37	-2.0	-117.86	334.31	8.68	-109.18
COC1=NSC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395204	0	31	-2.0	-115.42	310.53	2.46	-112.96
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000395206	0	27	-2.0	-115.65	278.32	4.34	-111.31
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395209	0	37	-3.0	-187.85	342.80	7.52	-180.33
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395209	1	38	-2.0	-111.08	344.39	7.35	-103.73
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)C=C(C(N)=O)O1	REAL300000395210	0	35	-2.0	-115.56	327.35	2.19	-113.37
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395211	1	40	-2.0	-118.82	344.79	8.95	-109.87
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000395212	0	31	-2.0	-117.94	309.08	6.43	-111.51
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000395214	0	30	-3.0	-181.01	316.42	6.11	-174.90
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000395215	0	36	-2.0	-134.41	319.74	6.90	-127.51
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395216	0	38	-2.0	-130.02	354.31	6.78	-123.24
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000395217	0	32	-2.0	-132.23	314.89	7.02	-125.21
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=N1	REAL300000395218	0	30	-2.0	-129.47	290.53	2.97	-126.50
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000395219	0	38	-2.0	-121.25	340.76	6.31	-114.94
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000395220	0	38	-2.0	-119.81	337.29	6.49	-113.32
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000395221	0	41	-2.0	-123.65	357.34	7.22	-116.43
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300000395222	0	42	-2.0	-132.16	366.64	4.67	-127.49
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000395223	1	37	-2.0	-120.34	342.32	3.87	-116.47
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000395224	0	28	-2.0	-124.76	295.69	5.23	-119.53
COC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000395225	1	35	-2.0	-114.39	337.47	6.19	-108.20
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000395226	0	38	-2.0	-130.12	334.51	6.71	-123.41
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1F	REAL300000395227	0	35	-2.0	-123.51	332.79	6.08	-117.43
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(Cl)=CC=C1C	REAL300000395228	0	34	-2.0	-119.50	310.49	7.25	-112.25
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000395229	0	39	-2.0	-136.73	347.26	7.39	-129.34
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000395230	0	39	-2.0	-123.47	359.96	6.32	-117.15
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300000395231	1	39	-2.0	-124.50	359.30	8.86	-115.64
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395232	0	35	-2.0	-128.29	328.01	7.22	-121.07
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000395233	0	28	-2.0	-120.27	291.38	5.95	-114.32
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000395234	0	33	-2.0	-114.93	325.74	5.83	-109.10
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(Cl)=CC=C1C	REAL300000395235	0	36	-2.0	-138.86	330.90	6.17	-132.69
CCN1N=NC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395236	0	33	-2.0	-114.92	306.68	3.99	-110.93
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000395238	1	32	-2.0	-112.84	306.26	5.44	-107.40
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000395239	0	34	-2.0	-129.82	330.28	8.08	-121.74
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000395240	0	38	-2.0	-122.30	343.25	6.37	-115.93
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C(C)=C1F	REAL300000395241	1	40	-2.0	-119.79	343.19	8.85	-110.94
COC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1OC	REAL300000395242	0	39	-2.0	-127.25	347.36	6.53	-120.72
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C21	REAL300000395243	0	34	-2.0	-130.85	318.06	6.85	-124.00
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300000395244	0	44	-2.0	-126.42	378.79	7.51	-118.91
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000395245	0	38	-2.0	-124.65	342.05	6.46	-118.19
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300000395246	1	35	-2.0	-124.99	330.84	6.22	-118.77
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000395247	0	34	-2.0	-134.16	320.85	5.82	-128.34
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000395248	0	36	-2.0	-139.36	335.97	5.06	-134.30
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000395249	0	38	-2.0	-124.17	329.83	8.44	-115.73
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=CN=C1N	REAL300000395250	1	35	-2.0	-126.09	319.40	4.36	-121.73
COC1=NSC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395251	0	31	-2.0	-119.88	304.79	3.13	-116.75
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)N=CN1	REAL300000395252	0	31	-2.0	-139.25	288.85	4.70	-134.55
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000395254	0	34	-2.0	-123.26	324.32	6.99	-116.27
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000395255	0	41	-2.0	-125.68	361.63	7.02	-118.66
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000395256	0	28	-2.0	-120.95	297.42	6.18	-114.77
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000395257	0	41	-2.0	-122.58	365.37	7.30	-115.28
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000395258	0	35	-2.0	-125.74	325.95	7.74	-118.00
CCCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395259	1	40	-2.0	-129.61	355.78	8.87	-120.74
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395260	0	37	-2.0	-119.23	347.82	5.00	-114.23
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300000395261	0	32	-2.0	-119.84	317.74	6.79	-113.05
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000395262	0	38	-2.0	-122.62	334.86	6.14	-116.48
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C	REAL300000395264	1	37	-2.0	-123.30	313.91	8.07	-115.23
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000395265	0	40	-2.0	-112.81	329.80	6.32	-106.49
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000395266	0	40	-2.0	-123.43	355.89	6.38	-117.05
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000395267	0	38	-2.0	-121.62	338.75	5.70	-115.92
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000395268	0	42	-2.0	-122.56	365.28	7.46	-115.10
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000395269	1	34	-2.0	-127.63	319.59	7.46	-120.17
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000395270	0	31	-2.0	-121.98	303.14	6.73	-115.25
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000395271	0	31	-2.0	-113.84	323.32	6.75	-107.09
CC1=NN(C)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395272	0	34	-2.0	-119.98	313.24	4.87	-115.11
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1C	REAL300000395274	1	37	-2.0	-124.69	317.58	7.79	-116.90
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000395275	0	34	-2.0	-122.83	316.23	7.52	-115.31
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395276	1	42	-2.0	-133.53	375.97	8.69	-124.84
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000395278	1	40	-2.0	-126.93	370.03	8.29	-118.64
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000395279	0	32	-2.0	-123.23	317.16	7.32	-115.91
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000395280	0	31	-2.0	-124.45	304.08	6.70	-117.75
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000395281	1	38	-2.0	-129.19	340.49	8.77	-120.42
COC1=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=CS1	REAL300000395282	0	32	-2.0	-129.61	313.86	5.08	-124.53
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000395283	0	38	-2.0	-129.05	346.31	8.81	-120.24
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000395284	0	41	-2.0	-122.55	356.25	7.25	-115.30
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395285	0	40	-2.0	-122.35	350.55	6.53	-115.82
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1	REAL300000395286	1	40	-2.0	-136.23	362.71	4.16	-132.07
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000395288	0	36	-2.0	-133.69	335.19	5.00	-128.69
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])O1	REAL300000395289	0	34	-2.0	-130.39	317.47	6.26	-124.13
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000395290	0	31	-2.0	-123.28	315.24	5.88	-117.40
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395291	0	35	-2.0	-121.96	332.54	6.51	-115.45
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000395292	1	37	-2.0	-125.99	344.60	8.19	-117.80
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000395293	1	35	-2.0	-126.24	330.64	6.24	-120.00
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])S1	REAL300000395294	0	32	-2.0	-122.83	315.37	5.09	-117.74
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000395295	0	34	-2.0	-116.61	323.73	5.36	-111.25
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395296	1	41	-2.0	-129.64	368.31	7.35	-122.29
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000395297	0	44	-2.0	-122.86	377.97	7.58	-115.28
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000395298	1	34	-2.0	-121.92	313.93	7.41	-114.51
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN21	REAL300000395299	0	34	-2.0	-133.15	316.91	7.06	-126.09
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000395300	1	33	-2.0	-131.12	321.80	6.02	-125.10
CCN1N=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=N1	REAL300000395301	0	33	-2.0	-123.95	311.72	3.49	-120.46
CCN1N=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1Cl	REAL300000395302	0	34	-2.0	-114.14	326.74	5.42	-108.72
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000395303	0	28	-2.0	-117.05	291.33	5.25	-111.80
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)C2=CC=CC=C12	REAL300000395304	1	40	-2.0	-134.14	343.53	9.34	-124.80
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300000395305	1	38	-2.0	-125.92	348.78	7.00	-118.92
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000395306	0	31	-2.0	-122.66	316.00	7.21	-115.45
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000395308	0	35	-2.0	-126.77	335.41	7.95	-118.82
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300000395309	0	34	-2.0	-107.57	337.04	7.45	-100.12
CC1=COC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395311	0	31	-2.0	-125.38	296.17	5.30	-120.08
COC1=CSC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1OC	REAL300000395312	0	36	-2.0	-123.93	341.84	5.18	-118.75
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000395313	0	30	-2.0	-109.35	308.74	5.26	-104.09
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000395314	0	37	-2.0	-125.74	335.20	6.59	-119.15
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000395315	1	38	-2.0	-136.92	345.42	8.40	-128.52
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000395316	0	31	-2.0	-113.40	304.93	4.55	-108.85
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000395317	0	37	-2.0	-135.71	325.09	8.33	-127.38
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000395318	0	29	-2.0	-124.33	294.25	5.11	-119.22
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395319	0	33	-2.0	-117.49	317.33	5.94	-111.55
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395320	1	42	-2.0	-129.02	374.72	8.27	-120.75
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C(C2CC2)=N1	REAL300000395321	0	41	-2.0	-124.96	363.57	7.33	-117.63
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300000395322	0	35	-2.0	-124.22	323.30	5.86	-118.36
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)NC(=O)NC1=O	REAL300000395323	1	34	-2.0	-112.87	311.19	2.54	-110.33
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395325	0	44	-2.0	-124.59	378.19	7.85	-116.74
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000395326	0	28	-2.0	-121.04	290.38	5.15	-115.89
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000395327	0	28	-2.0	-120.78	300.40	6.15	-114.63
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000395328	0	39	-2.0	-119.14	341.53	4.37	-114.77
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000395329	1	38	-2.0	-125.29	326.90	8.55	-116.74
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C(C)=N1	REAL300000395332	1	37	-2.0	-118.95	332.39	3.98	-114.97
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395333	0	37	-2.0	-128.62	336.31	4.87	-123.75
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1C(=O)[O-]	REAL300000395334	0	34	-2.0	-120.61	331.61	4.73	-115.88
COC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000395335	0	37	-2.0	-120.85	338.70	4.07	-116.78
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000395336	0	40	-2.0	-125.63	354.00	6.81	-118.82
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C(Cl)=CC=C1C	REAL300000395337	0	40	-2.0	-123.74	354.98	6.37	-117.37
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000395338	0	29	-2.0	-120.99	294.56	5.05	-115.94
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000395339	0	29	-2.0	-124.57	302.13	5.97	-118.60
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000395340	0	37	-2.0	-122.03	334.50	5.84	-116.19
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C1C	REAL300000395341	0	39	-2.0	-117.54	358.72	6.00	-111.54
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300000395342	0	34	-2.0	-126.68	325.60	8.79	-117.89
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000395343	0	38	-2.0	-119.54	338.34	6.54	-113.00
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000395344	0	38	-2.0	-129.26	347.74	7.65	-121.61
COC1=NOC(CS(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395345	1	34	-2.0	-114.82	322.93	2.95	-111.87
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)C=NN1C(C)C	REAL300000395346	0	40	-2.0	-127.42	355.61	6.37	-121.05
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000395347	0	33	-2.0	-121.56	318.93	5.67	-115.89
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300000395349	0	35	-2.0	-128.52	336.72	6.97	-121.55
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000395350	1	32	-2.0	-130.08	302.62	3.79	-126.29
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000395351	0	34	-2.0	-132.95	326.68	7.54	-125.41
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000395352	0	27	-2.0	-116.76	276.66	4.25	-112.51
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000395353	0	35	-2.0	-144.26	339.27	5.92	-138.34
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)C2=NC=CC=C12	REAL300000395354	0	39	-2.0	-142.99	349.33	7.80	-135.19
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000395355	0	36	-3.0	-181.70	336.38	6.95	-174.75
CCC1=C(S(=O)(=O)NC2=C(C)C=CC(Cl)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000395355	1	37	-2.0	-101.83	335.62	6.02	-95.81
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395356	0	44	-2.0	-129.28	370.83	8.98	-120.30
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(Cl)=CC=C2C)C=C(Cl)S1	REAL300000395357	0	31	-2.0	-111.68	309.77	6.90	-104.78
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000395358	0	27	-2.0	-119.00	278.00	3.76	-115.24
CC1=CC=C(Cl)C(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000395359	0	38	-2.0	-121.26	332.09	5.84	-115.42
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2C(=O)[O-])=C1	REAL300000395360	0	34	-2.0	-131.98	314.01	7.29	-124.69
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395361	0	44	-2.0	-134.89	389.36	6.55	-128.34
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000395362	0	43	-2.0	-129.83	370.50	5.74	-124.09
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000395364	0	38	-2.0	-140.43	343.08	6.17	-134.26
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000395365	0	40	-3.0	-185.06	368.03	5.60	-179.46
CC(C)OC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000395365	1	41	-2.0	-113.47	368.14	5.57	-107.90
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000395366	0	37	-2.0	-119.65	346.42	4.52	-115.13
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000395367	0	39	-2.0	-127.30	355.41	6.29	-121.01
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000395368	0	39	-2.0	-122.43	355.37	6.29	-116.14
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000395369	0	38	-2.0	-127.12	356.78	6.48	-120.64
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000395370	0	39	-2.0	-138.96	352.69	6.18	-132.78
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000395371	0	40	-3.0	-197.38	367.55	6.49	-190.89
CC(C)OC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000395371	1	41	-2.0	-139.05	367.53	6.44	-132.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1[N+](=O)[O-]	REAL300000395372	0	43	-2.0	-128.87	379.33	7.12	-121.75
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000395373	0	48	-2.0	-134.27	397.30	8.38	-125.89
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000395374	0	40	-3.0	-184.84	363.01	6.46	-178.38
CC(C)OC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000395374	1	41	-2.0	-109.46	362.91	6.42	-103.04
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395375	0	46	-2.0	-141.67	392.29	4.97	-136.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1OC	REAL300000395376	0	46	-2.0	-129.39	393.29	5.10	-124.29
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000395377	0	45	-2.0	-134.39	380.10	7.80	-126.59
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395378	0	40	-2.0	-118.75	347.66	4.85	-113.90
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000395379	0	40	-3.0	-202.17	363.01	6.45	-195.72
CC(C)OC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000395379	1	41	-2.0	-103.59	363.13	6.42	-97.17
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000395380	0	38	-2.0	-119.70	347.28	6.01	-113.69
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395381	0	41	-2.0	-133.30	355.97	6.55	-126.75
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000395383	0	38	-2.0	-127.84	351.28	6.42	-121.42
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395384	0	43	-2.0	-129.35	375.06	6.29	-123.06
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395385	0	44	-2.0	-133.46	371.47	7.33	-126.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1C	REAL300000395386	0	44	-2.0	-134.28	372.97	7.10	-127.18
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000395387	0	38	-2.0	-120.01	357.15	6.46	-113.55
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395388	0	43	-2.0	-142.28	375.07	6.28	-136.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(C)=C1	REAL300000395389	0	44	-2.0	-132.63	371.45	7.33	-125.30
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300000395390	0	50	-2.0	-131.61	410.76	8.21	-123.40
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300000395391	0	47	-2.0	-131.58	394.81	7.82	-123.76
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395392	0	50	-2.0	-131.36	413.26	8.48	-122.88
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000395393	0	35	-2.0	-122.70	343.55	5.52	-117.18
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395394	0	47	-2.0	-131.59	398.96	8.11	-123.48
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395395	0	42	-2.0	-140.03	362.80	5.69	-134.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000395396	0	43	-3.0	-203.96	378.88	6.98	-196.98
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000395396	1	44	-2.0	-104.99	383.06	7.07	-97.92
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000395397	0	38	-2.0	-123.35	352.61	6.09	-117.26
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000395398	0	38	-2.0	-132.52	347.71	6.46	-126.06
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000395399	0	40	-2.0	-127.49	362.79	6.57	-120.92
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395400	0	43	-2.0	-128.47	378.28	7.33	-121.14
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000395401	0	35	-2.0	-129.53	326.48	4.90	-124.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395402	0	42	-2.0	-129.18	364.08	5.19	-123.99
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000395403	0	40	-2.0	-143.82	352.94	7.27	-136.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395404	0	41	-2.0	-132.45	355.95	6.56	-125.89
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395405	0	45	-2.0	-128.89	385.91	6.11	-122.78
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000395406	0	38	-2.0	-126.26	346.48	6.03	-120.23
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000395407	0	38	-2.0	-127.95	340.98	5.97	-121.98
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000395408	0	38	-2.0	-120.73	347.39	6.03	-114.70
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1C	REAL300000395409	0	50	-2.0	-132.71	398.55	8.61	-124.10
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000395410	0	44	-2.0	-131.49	379.06	5.05	-126.44
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(C)=C1	REAL300000395411	0	47	-2.0	-132.66	386.86	8.28	-124.38
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000395412	0	38	-2.0	-124.31	351.30	6.41	-117.90
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000395413	0	40	-2.0	-117.39	362.78	6.56	-110.83
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000395414	0	38	-2.0	-132.42	334.57	5.90	-126.52
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395415	0	45	-2.0	-137.60	390.92	4.76	-132.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)S1	REAL300000395416	0	38	-2.0	-130.80	348.40	5.69	-125.11
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395417	0	42	-2.0	-131.56	379.54	6.21	-125.35
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000395418	0	40	-3.0	-200.89	368.51	6.52	-194.37
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395419	0	43	-2.0	-124.76	372.38	7.14	-117.62
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000395420	0	38	-2.0	-130.84	346.48	6.03	-124.81
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000395421	0	42	-2.0	-125.38	370.32	2.71	-122.67
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395422	0	42	-2.0	-129.14	374.76	6.91	-122.23
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000395423	0	43	-2.0	-127.10	376.60	4.35	-122.75
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000395424	0	37	-3.0	-193.77	356.20	5.47	-188.30
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000395425	0	41	-2.0	-124.57	366.29	3.40	-121.17
COC(=O)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395426	0	40	-2.0	-123.49	353.23	4.47	-119.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395427	0	43	-3.0	-204.33	378.46	7.24	-197.09
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395427	1	44	-2.0	-137.35	379.48	7.29	-130.06
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395428	0	44	-2.0	-128.31	371.27	4.93	-123.38
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395429	0	44	-2.0	-125.23	389.36	6.56	-118.67
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395430	0	45	-2.0	-129.75	391.00	4.18	-125.57
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000395431	0	42	-2.0	-129.69	369.07	2.68	-127.01
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395432	0	44	-2.0	-131.90	377.47	7.33	-124.57
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000395433	0	44	-2.0	-135.22	380.53	8.17	-127.05
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=CS1	REAL300000395434	0	41	-2.0	-141.67	374.13	6.21	-135.46
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395435	0	48	-2.0	-130.39	411.13	6.40	-123.99
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395436	0	50	-2.0	-132.01	415.74	8.57	-123.44
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000395437	0	38	-2.0	-123.31	340.97	5.96	-117.35
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000395438	0	38	-2.0	-136.59	340.05	5.96	-130.63
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395439	0	48	-2.0	-128.31	407.41	6.91	-121.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(Cl)=C1	REAL300000395440	0	41	-2.0	-132.21	369.12	7.13	-125.08
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395441	0	41	-2.0	-123.39	356.46	6.73	-116.66
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000395442	0	38	-2.0	-122.83	354.10	6.53	-116.30
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000395444	0	41	-3.0	-198.91	369.66	5.81	-193.10
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000395445	0	38	-2.0	-137.59	352.01	5.46	-132.13
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000395446	0	43	-2.0	-127.82	376.47	2.04	-125.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1Cl	REAL300000395447	0	42	-2.0	-126.83	380.11	5.75	-121.08
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1F	REAL300000395448	0	42	-2.0	-126.44	370.28	5.26	-121.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1C	REAL300000395449	0	45	-2.0	-130.41	384.16	5.93	-124.48
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1C	REAL300000395450	0	48	-2.0	-130.08	406.01	6.86	-123.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1C(N)=O	REAL300000395451	0	45	-2.0	-125.11	385.24	3.36	-121.75
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000395452	0	38	-2.0	-126.46	339.10	3.60	-122.86
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395453	0	43	-2.0	-117.52	378.26	7.34	-110.18
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC=C1	REAL300000395454	1	44	-2.0	-127.90	379.17	7.45	-120.45
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CN1C	REAL300000395455	0	46	-2.0	-128.35	398.83	3.55	-124.80
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395456	0	41	-2.0	-128.43	366.79	7.18	-121.25
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOC1=CC=C(F)C=C1	REAL300000395457	0	45	-2.0	-122.08	394.06	6.32	-115.76
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1C	REAL300000395458	0	48	-2.0	-130.01	408.16	6.77	-123.24
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395459	0	40	-3.0	-188.69	372.12	6.13	-182.56
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000395460	0	39	-2.0	-118.59	370.77	6.70	-111.89
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000395461	0	39	-2.0	-119.36	370.82	6.69	-112.67
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000395462	0	42	-2.0	-135.61	372.91	6.27	-129.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1Cl	REAL300000395463	0	41	-2.0	-128.61	370.02	6.99	-121.62
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000395464	0	38	-2.0	-131.93	356.21	6.46	-125.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1F	REAL300000395465	0	41	-2.0	-128.34	361.28	6.60	-121.74
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395466	0	41	-2.0	-124.45	366.79	7.17	-117.28
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395467	0	41	-2.0	-136.98	361.47	6.63	-130.35
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395468	0	41	-2.0	-128.59	356.46	6.73	-121.86
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCCl)C=C1	REAL300000395469	0	44	-2.0	-130.19	394.63	7.95	-122.24
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395470	0	43	-2.0	-143.65	368.83	8.16	-135.49
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000395471	0	37	-3.0	-195.78	354.66	5.49	-190.29
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000395472	0	40	-2.0	-135.55	362.35	7.40	-128.15
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000395473	0	40	-2.0	-138.01	367.97	7.27	-130.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(C)=C1	REAL300000395474	0	45	-2.0	-129.25	379.51	5.96	-123.29
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1C	REAL300000395475	0	48	-2.0	-130.76	399.58	6.70	-124.06
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395476	0	42	-2.0	-135.45	365.74	4.26	-131.19
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000395477	0	35	-2.0	-123.31	316.13	2.29	-121.02
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)S1	REAL300000395478	0	41	-2.0	-122.82	382.43	5.65	-117.17
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000395479	0	42	-2.0	-121.05	372.39	6.26	-114.79
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000395480	0	38	-2.0	-128.49	349.49	6.23	-122.26
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000395481	0	40	-3.0	-192.83	366.02	5.60	-187.23
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000395482	0	41	-2.0	-153.72	362.77	5.10	-148.62
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395483	0	48	-2.0	-142.16	406.10	7.27	-134.89
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000395484	0	40	-2.0	-147.27	359.99	7.50	-139.77
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000395485	0	37	-2.0	-120.29	336.00	4.17	-116.12
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395486	0	41	-2.0	-128.86	382.62	5.55	-123.31
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300000395487	0	43	-2.0	-133.16	370.72	6.33	-126.83
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000395488	0	38	-2.0	-138.64	338.74	4.98	-133.66
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(C)=C1	REAL300000395489	0	48	-2.0	-129.02	401.39	6.89	-122.13
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3OC(C)C)C=C12	REAL300000395490	0	42	-2.0	-118.02	374.33	2.88	-115.14
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000395491	0	38	-2.0	-117.54	350.51	4.40	-113.14
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000395492	0	38	-2.0	-132.82	346.35	6.02	-126.80
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000395493	0	44	-2.0	-138.13	377.68	5.53	-132.60
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CN1C	REAL300000395494	0	41	-2.0	-140.31	359.10	4.81	-135.50
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=N1	REAL300000395495	0	41	-2.0	-126.75	360.65	4.45	-122.30
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395496	0	45	-2.0	-134.62	389.61	5.62	-129.00
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000395497	0	43	-2.0	-129.65	370.55	5.19	-124.46
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000395498	0	38	-2.0	-127.30	354.08	6.53	-120.77
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC(F)(F)F	REAL300000395499	0	41	-2.0	-120.90	372.87	4.14	-116.76
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300000395500	0	46	-2.0	-130.05	391.47	6.48	-123.57
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395501	0	38	-2.0	-124.05	334.94	2.95	-121.10
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395502	0	42	-2.0	-133.99	364.07	5.20	-128.79
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395503	0	41	-2.0	-132.48	350.06	6.66	-125.82
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000395504	0	38	-2.0	-136.66	339.40	3.43	-133.23
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000395505	0	38	-2.0	-120.78	334.79	3.53	-117.25
COCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395506	0	38	-2.0	-122.51	331.46	2.71	-119.80
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000395507	0	42	-2.0	-134.80	353.93	4.12	-130.68
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCCO1	REAL300000395508	0	45	-2.0	-132.80	371.42	5.18	-127.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(F)=C1	REAL300000395511	0	41	-2.0	-136.05	361.48	6.64	-129.41
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CC=C1F	REAL300000395512	0	41	-2.0	-124.05	361.30	6.59	-117.46
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000395513	0	35	-2.0	-136.38	316.02	3.27	-133.11
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)O1	REAL300000395514	0	41	-2.0	-122.66	374.09	4.68	-117.98
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000395515	0	43	-2.0	-149.63	374.51	6.53	-143.10
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000395516	0	38	-2.0	-121.01	352.79	6.07	-114.94
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C(C(=O)[O-])S1	REAL300000395517	0	40	-3.0	-198.38	372.73	6.34	-192.04
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395518	0	42	-2.0	-133.38	377.18	5.76	-127.62
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CN=C1Cl	REAL300000395519	0	40	-2.0	-120.67	365.22	5.12	-115.55
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(C)=C1C	REAL300000395520	0	48	-2.0	-130.58	395.89	6.60	-123.98
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395522	0	50	-2.0	-128.70	412.68	6.53	-122.17
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)SC=C1	REAL300000395523	0	38	-2.0	-130.83	342.78	5.71	-125.12
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1C	REAL300000395524	0	47	-2.0	-128.59	393.09	5.80	-122.79
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CC=C1[N+](=O)[O-]	REAL300000395525	0	43	-2.0	-118.13	378.37	7.07	-111.06
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395528	0	42	-2.0	-127.85	370.84	7.06	-120.79
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395529	0	42	-2.0	-122.63	370.80	7.06	-115.57
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000395531	0	39	-2.0	-125.35	360.85	6.35	-119.00
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3OC(C)C)C=C2O1	REAL300000395532	0	43	-2.0	-127.91	378.22	3.56	-124.35
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000395533	0	44	-2.0	-126.90	379.31	4.98	-121.92
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000395535	0	43	-2.0	-131.60	375.54	6.29	-125.31
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=N1	REAL300000395536	0	44	-2.0	-132.42	393.96	4.65	-127.77
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000395537	0	44	-2.0	-136.93	378.54	4.33	-132.60
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000395540	0	38	-2.0	-113.42	353.54	6.08	-107.34
CC(C)OCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395541	0	44	-2.0	-123.36	373.57	4.42	-118.94
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CN1C	REAL300000395542	0	45	-2.0	-133.17	395.74	5.99	-127.18
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000395543	0	40	-3.0	-183.19	367.56	6.50	-176.69
CC(C)OC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000395543	1	41	-2.0	-113.12	367.56	6.46	-106.66
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CC(C)=C1F	REAL300000395544	0	44	-2.0	-125.01	381.59	7.23	-117.78
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000395545	0	37	-3.0	-187.01	355.27	5.58	-181.43
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395546	0	47	-2.0	-138.48	399.27	6.85	-131.63
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000395547	0	40	-3.0	-190.94	369.43	6.52	-184.42
CC(C)OC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000395547	1	41	-2.0	-128.54	370.80	6.55	-121.99
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CN1	REAL300000395548	0	42	-2.0	-130.16	377.97	4.24	-125.92
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000395549	0	40	-3.0	-184.78	368.48	6.53	-178.25
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395550	0	41	-2.0	-126.93	355.37	6.70	-120.23
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CS1	REAL300000395551	0	41	-2.0	-129.38	381.82	5.57	-123.81
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)S1	REAL300000395552	0	40	-2.0	-126.86	359.80	4.47	-122.39
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000395553	0	42	-2.0	-137.82	376.80	7.06	-130.76
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395554	0	44	-2.0	-133.81	377.44	7.33	-126.48
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395555	0	41	-2.0	-128.11	362.38	6.62	-121.49
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC(C)(C)C	REAL300000395556	1	46	-2.0	-127.62	374.50	6.13	-121.49
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395557	0	44	-2.0	-124.15	392.47	5.35	-118.80
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C(F)C=C1F	REAL300000395558	0	41	-2.0	-126.52	366.76	6.65	-119.87
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000395559	0	44	-2.0	-141.80	375.59	8.21	-133.59
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000395560	0	40	-2.0	-127.55	366.54	5.38	-122.17
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000395561	0	41	-3.0	-203.23	372.75	4.17	-199.06
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000395562	0	48	-2.0	-137.35	389.86	8.53	-128.82
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000395563	0	43	-3.0	-192.02	385.20	7.23	-184.79
CC(C)OC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000395563	1	44	-2.0	-110.44	384.88	7.20	-103.24
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)O1	REAL300000395564	0	44	-2.0	-122.83	395.96	5.60	-117.23
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000395565	0	40	-2.0	-118.33	369.19	6.63	-111.70
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)SC=C1	REAL300000395567	0	39	-2.0	-141.33	356.72	4.17	-137.16
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000395568	0	41	-2.0	-132.33	364.32	6.29	-126.04
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000395569	0	38	-2.0	-118.07	350.60	4.80	-113.27
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000395570	0	38	-2.0	-132.90	354.76	4.72	-128.18
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CC(OC)=C1	REAL300000395571	0	46	-2.0	-134.53	393.54	4.50	-130.03
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000395572	0	39	-2.0	-134.70	350.41	4.63	-130.07
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000395573	0	39	-2.0	-120.45	356.79	3.72	-116.73
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)S1	REAL300000395574	0	37	-2.0	-126.00	343.10	3.73	-122.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395575	0	43	-3.0	-197.02	373.21	7.10	-189.92
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395575	1	44	-2.0	-103.37	374.58	7.19	-96.18
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395576	0	45	-2.0	-125.56	386.92	2.94	-122.62
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395577	0	43	-3.0	-185.16	378.45	7.23	-177.93
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395577	1	44	-2.0	-111.78	379.68	7.28	-104.50
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300000395578	0	39	-2.0	-127.44	363.85	6.57	-120.87
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1F	REAL300000395579	0	41	-2.0	-130.73	366.74	6.67	-124.06
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1CC	REAL300000395580	0	50	-2.0	-134.19	411.74	8.46	-125.73
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000395582	0	44	-2.0	-138.36	379.99	6.28	-132.08
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=N1	REAL300000395583	0	43	-2.0	-120.05	385.32	4.72	-115.33
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395584	0	46	-2.0	-142.72	397.66	7.16	-135.56
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=N1	REAL300000395585	0	45	-2.0	-124.68	394.33	3.50	-121.18
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C([N+](=O)[O-])=N1	REAL300000395586	0	43	-2.0	-133.16	384.87	6.73	-126.43
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1C#N	REAL300000395588	0	42	-2.0	-139.89	371.82	6.68	-133.21
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000395589	0	47	-2.0	-131.25	407.54	7.54	-123.71
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395590	0	44	-2.0	-138.09	382.04	6.64	-131.45
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000395591	0	46	-2.0	-125.13	392.61	3.64	-121.49
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1F	REAL300000395592	0	41	-2.0	-137.73	360.36	6.61	-131.12
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=N1	REAL300000395593	0	44	-2.0	-122.71	383.59	3.51	-119.20
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000395594	0	45	-2.0	-141.11	380.50	5.92	-135.19
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395595	0	45	-2.0	-131.82	389.63	5.62	-126.20
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395596	0	43	-2.0	-136.00	373.84	2.88	-133.12
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1Cl	REAL300000395597	0	41	-2.0	-133.57	366.41	7.04	-126.53
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C(C)O1	REAL300000395599	0	41	-2.0	-129.25	357.50	5.47	-123.78
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000395600	0	46	-2.0	-131.39	388.26	6.52	-124.87
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395601	0	45	-2.0	-130.62	381.17	5.93	-124.69
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395602	0	48	-2.0	-129.08	403.81	6.74	-122.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)O1	REAL300000395603	0	38	-2.0	-129.78	339.17	4.71	-125.07
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395604	0	41	-2.0	-131.89	368.22	6.31	-125.58
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000395605	0	41	-2.0	-126.84	360.61	4.56	-122.28
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000395606	0	40	-2.0	-114.79	367.32	6.58	-108.21
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000395607	0	38	-2.0	-121.14	357.69	6.48	-114.66
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C(C)O1	REAL300000395608	0	44	-2.0	-124.51	392.38	5.45	-119.06
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000395609	0	37	-2.0	-120.61	346.32	4.59	-116.02
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)N=C1C	REAL300000395610	0	44	-2.0	-140.62	380.16	5.69	-134.93
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395611	0	41	-2.0	-133.08	369.12	7.13	-125.95
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000395612	0	44	-3.0	-200.33	390.97	6.66	-193.67
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395613	0	41	-2.0	-127.39	374.44	4.63	-122.76
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395614	0	50	-2.0	-130.06	414.06	6.45	-123.61
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000395615	0	38	-2.0	-136.09	350.61	6.68	-129.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(Cl)=N1	REAL300000395616	0	40	-2.0	-128.44	364.44	5.21	-123.23
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395617	0	43	-2.0	-129.23	383.60	6.09	-123.14
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)S1	REAL300000395618	0	40	-2.0	-125.74	364.59	4.48	-121.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(C)=C1F	REAL300000395619	0	45	-2.0	-125.95	384.22	6.02	-119.93
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000395620	0	39	-2.0	-121.98	368.44	6.86	-115.12
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000395621	0	41	-2.0	-141.47	362.48	6.21	-135.26
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395622	0	43	-2.0	-125.88	384.55	4.75	-121.13
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCOC1	REAL300000395623	1	45	-2.0	-130.34	367.70	4.68	-125.66
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300000395624	1	46	-2.0	-134.02	385.69	6.28	-127.74
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CS1	REAL300000395625	1	41	-2.0	-126.58	369.40	6.54	-120.04
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395626	0	38	-2.0	-123.45	363.56	6.12	-117.33
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000395627	0	41	-2.0	-138.11	368.72	6.82	-131.29
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000395628	0	41	-2.0	-125.18	372.48	4.78	-120.40
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395629	0	42	-2.0	-139.14	370.64	6.97	-132.17
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CC=C1F	REAL300000395630	0	42	-2.0	-122.63	370.31	5.26	-117.37
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000395631	0	37	-2.0	-136.69	347.24	6.31	-130.38
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000395632	0	35	-2.0	-128.49	317.25	3.88	-124.61
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000395633	0	37	-2.0	-113.94	329.02	2.30	-111.64
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000395634	0	43	-2.0	-123.59	378.90	5.03	-118.56
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000395635	0	37	-2.0	-119.68	355.74	5.66	-114.02
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000395636	0	42	-2.0	-133.00	362.68	5.34	-127.66
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000395637	0	39	-2.0	-126.67	368.48	6.85	-119.82
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395638	0	44	-2.0	-130.89	364.80	7.62	-123.27
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000395640	0	42	-2.0	-144.73	372.94	5.96	-138.77
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC(C)(C)C#N	REAL300000395641	1	44	-2.0	-127.67	373.78	5.74	-121.93
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000395642	0	39	-2.0	-137.78	359.34	4.20	-133.58
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395643	0	41	-2.0	-126.78	359.15	3.37	-123.41
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C)OCO2	REAL300000395644	0	44	-2.0	-127.52	376.04	5.32	-122.20
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300000395646	1	41	-2.0	-127.63	374.43	7.18	-120.45
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)S1	REAL300000395647	0	41	-2.0	-132.96	379.50	3.38	-129.58
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)S1	REAL300000395647	1	40	-3.0	-194.17	376.20	2.27	-191.90
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000395648	0	42	-2.0	-131.90	367.42	7.15	-124.75
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000395649	0	42	-2.0	-137.98	376.84	7.05	-130.93
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395650	0	44	-2.0	-122.87	370.90	7.66	-115.21
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(N)=NO1	REAL300000395651	0	39	-2.0	-118.01	342.11	3.27	-114.74
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395652	0	42	-2.0	-135.47	379.56	6.21	-129.26
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000395653	0	39	-2.0	-124.86	362.08	4.67	-120.19
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300000395654	0	49	-2.0	-131.56	415.82	6.68	-124.88
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395655	0	45	-2.0	-134.66	379.51	5.96	-128.70
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000395657	0	36	-2.0	-119.99	347.05	5.44	-114.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=N1	REAL300000395658	0	40	-2.0	-127.58	351.18	4.72	-122.86
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000395659	0	43	-2.0	-130.18	375.73	6.26	-123.92
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CC=C1C#N	REAL300000395660	0	42	-2.0	-122.24	374.56	6.79	-115.45
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000395661	0	37	-2.0	-113.78	352.31	4.58	-109.20
COC(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395662	0	41	-2.0	-129.81	350.55	3.65	-126.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(F)=C1	REAL300000395663	0	42	-2.0	-132.47	369.55	5.26	-127.21
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300000395664	0	44	-2.0	-130.24	380.26	6.41	-123.83
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000395665	0	41	-2.0	-129.03	368.76	6.82	-122.21
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)N(C)N=C1	REAL300000395667	0	41	-2.0	-121.77	351.42	4.36	-117.41
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300000395668	1	44	-2.0	-126.45	395.93	7.96	-118.49
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000395669	0	36	-2.0	-120.04	338.47	4.44	-115.60
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000395670	0	35	-2.0	-127.34	325.66	4.80	-122.54
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000395671	0	35	-2.0	-127.15	317.08	3.78	-123.37
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000395672	0	43	-3.0	-185.47	378.94	7.00	-178.47
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000395672	1	44	-2.0	-106.97	379.22	6.99	-99.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=N1	REAL300000395673	0	41	-2.0	-122.78	361.73	2.58	-120.20
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000395674	0	38	-2.0	-130.77	356.80	6.48	-124.29
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395675	0	49	-2.0	-133.03	412.77	7.13	-125.90
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000395676	0	41	-2.0	-133.68	371.08	7.25	-126.43
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000395677	0	41	-2.0	-136.54	361.18	4.53	-132.01
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395678	0	45	-2.0	-134.01	385.90	6.12	-127.89
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395679	0	44	-2.0	-157.95	378.95	3.49	-154.46
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3OC(C)C)C=C2C=C1	REAL300000395680	0	47	-2.0	-134.74	401.87	8.82	-125.92
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000395681	0	35	-2.0	-131.01	342.55	5.35	-125.66
CC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395682	0	38	-2.0	-129.65	348.12	5.56	-124.09
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000395683	0	35	-2.0	-123.21	332.86	2.70	-120.51
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000395684	0	37	-2.0	-122.27	341.49	4.00	-118.27
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395685	0	47	-2.0	-124.55	399.01	4.95	-119.60
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=N1	REAL300000395686	0	47	-2.0	-123.44	403.75	4.44	-119.00
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300000395687	0	46	-2.0	-129.09	395.11	6.86	-122.23
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000395688	0	41	-2.0	-125.66	370.73	6.36	-119.30
CC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395689	0	37	-2.0	-121.89	343.07	4.19	-117.70
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(=O)S1	REAL300000395690	1	35	-2.0	-119.70	331.41	1.78	-117.92
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300000395691	0	42	-2.0	-159.35	365.70	3.17	-156.18
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000395692	0	45	-2.0	-131.57	383.80	8.00	-123.57
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000395693	0	35	-2.0	-134.36	332.85	4.94	-129.42
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000395694	0	39	-2.0	-118.46	361.27	6.33	-112.13
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C)C1=CC=CC=C1	REAL300000395695	0	48	-2.0	-127.85	405.55	6.51	-121.34
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)CC1	REAL300000395696	0	42	-2.0	-134.28	356.10	4.93	-129.35
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(C)=O	REAL300000395697	0	38	-2.0	-156.00	339.90	1.83	-154.17
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000395698	0	35	-2.0	-129.90	316.17	2.47	-127.43
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000395699	0	43	-2.0	-136.35	371.56	2.80	-133.55
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)S1	REAL300000395700	0	41	-2.0	-132.12	364.66	6.52	-125.60
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000395701	0	39	-2.0	-117.46	357.97	4.75	-112.71
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395702	0	40	-2.0	-119.38	362.10	5.27	-114.11
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)CC1	REAL300000395705	0	47	-2.0	-140.50	401.16	7.34	-133.16
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=NN1C	REAL300000395706	0	41	-2.0	-128.59	355.24	4.12	-124.47
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395707	0	42	-2.0	-132.18	365.68	6.99	-125.19
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395708	0	41	-2.0	-127.35	357.93	4.25	-123.10
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000395709	0	38	-2.0	-119.17	350.42	4.49	-114.68
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395710	0	46	-2.0	-124.27	382.86	5.87	-118.40
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000395712	0	38	-2.0	-123.85	350.21	3.43	-120.42
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)CCCC1	REAL300000395713	0	50	-2.0	-137.47	408.33	7.15	-130.32
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CC=C1Cl	REAL300000395714	0	42	-2.0	-123.61	380.12	5.75	-117.86
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(N)=O)S1	REAL300000395715	0	42	-2.0	-141.13	386.13	2.54	-138.59
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000395716	0	40	-3.0	-205.27	366.64	6.48	-198.79
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000395717	0	40	-2.0	-143.10	365.75	5.31	-137.79
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000395718	0	43	-2.0	-134.26	370.38	5.74	-128.52
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300000395719	1	45	-2.0	-131.25	384.62	8.08	-123.17
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395720	0	41	-2.0	-132.45	361.62	7.39	-125.06
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000395721	0	43	-2.0	-142.95	370.88	5.71	-137.24
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C)OC	REAL300000395722	0	44	-2.0	-129.07	370.04	4.69	-124.38
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395723	0	50	-2.0	-130.65	408.15	5.87	-124.78
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC1CC1	REAL300000395724	0	45	-2.0	-123.18	384.97	5.26	-117.92
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300000395725	1	44	-2.0	-124.60	395.91	7.97	-116.63
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(F)=C1	REAL300000395726	0	41	-2.0	-139.30	364.46	6.84	-132.46
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000395727	0	43	-2.0	-129.00	378.40	4.35	-124.65
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C)C1CC1	REAL300000395728	0	45	-2.0	-130.13	377.89	5.31	-124.82
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395729	0	42	-2.0	-135.77	369.24	5.75	-130.02
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395730	0	37	-2.0	-118.35	333.31	3.79	-114.56
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CC=C1Cl	REAL300000395731	0	41	-2.0	-125.29	370.02	6.98	-118.31
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000395732	0	44	-2.0	-141.24	382.67	6.88	-134.36
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(=O)N(C)C	REAL300000395733	0	43	-2.0	-144.33	376.21	1.85	-142.48
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000395734	0	37	-2.0	-132.06	335.05	4.07	-127.99
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000395737	0	37	-2.0	-118.55	335.99	4.04	-114.51
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC1CCC1	REAL300000395738	0	48	-2.0	-123.24	401.53	5.79	-117.45
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000395739	0	36	-2.0	-133.40	344.97	5.29	-128.11
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C)C(C)C	REAL300000395741	0	47	-2.0	-125.31	383.43	4.90	-120.41
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000395742	0	38	-2.0	-120.58	357.18	6.46	-114.12
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000395743	0	46	-2.0	-143.15	386.77	7.09	-136.06
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300000395745	1	44	-2.0	-124.76	385.61	7.52	-117.24
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC=C1F	REAL300000395746	1	44	-2.0	-131.32	384.77	7.48	-123.84
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300000395747	1	44	-2.0	-130.20	391.87	7.82	-122.38
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395749	0	45	-2.0	-142.76	390.48	3.33	-139.43
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(=O)NC1=O	REAL300000395750	0	41	-2.0	-130.56	362.96	2.58	-127.98
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C)C1CC1	REAL300000395751	0	48	-2.0	-131.69	399.73	6.27	-125.42
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)N1C	REAL300000395752	0	41	-2.0	-126.98	353.94	4.87	-122.11
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C)C1CCCC1	REAL300000395753	0	51	-2.0	-129.23	411.15	6.26	-122.97
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C)C1CCCCC1	REAL300000395754	0	54	-2.0	-128.31	424.74	6.77	-121.54
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)O1	REAL300000395755	0	44	-2.0	-123.51	391.99	5.26	-118.25
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000395756	0	41	-2.0	-126.76	374.30	5.39	-121.37
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000395757	0	37	-2.0	-123.30	351.93	4.49	-118.81
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300000395758	1	44	-2.0	-133.81	389.83	7.50	-126.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(F)=C1F	REAL300000395759	0	41	-2.0	-132.76	366.66	6.67	-126.09
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000395760	0	40	-2.0	-147.43	362.91	4.79	-142.64
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(C)=N1	REAL300000395761	0	50	-2.0	-127.16	422.46	6.65	-120.51
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000395762	0	39	-3.0	-200.72	359.98	4.52	-196.20
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395763	0	42	-2.0	-130.47	367.35	6.04	-124.43
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000395764	0	39	-2.0	-120.13	361.82	6.35	-113.78
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000395765	0	40	-2.0	-126.68	357.85	4.94	-121.74
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000395765	1	40	-2.0	-142.86	357.72	5.08	-137.78
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000395766	0	42	-2.0	-138.54	368.29	5.85	-132.69
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000395767	0	48	-2.0	-126.40	395.55	6.01	-120.39
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000395768	0	50	-2.0	-125.99	402.74	6.50	-119.49
CCC(C)(C)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395769	1	49	-2.0	-127.93	388.72	6.63	-121.30
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000395770	0	48	-2.0	-127.10	401.98	6.24	-120.86
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1CC1C1=CC=CC(F)=C1	REAL300000395771	1	45	-2.0	-137.70	382.07	8.22	-129.48
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000395772	0	39	-2.0	-130.00	350.76	3.66	-126.34
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000395772	1	38	-3.0	-219.81	347.20	4.52	-215.29
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300000395773	0	48	-2.0	-131.40	411.77	8.67	-122.73
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395774	0	44	-2.0	-127.49	377.40	5.05	-122.44
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1F	REAL300000395775	0	43	-2.0	-129.11	381.85	6.46	-122.65
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000395776	0	38	-2.0	-120.73	339.75	3.25	-117.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(C#N)=C1	REAL300000395777	0	42	-2.0	-137.44	374.05	6.83	-130.61
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395778	0	42	-2.0	-139.22	365.12	7.09	-132.13
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000395780	0	45	-2.0	-134.63	398.32	7.85	-126.78
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395781	0	44	-2.0	-123.94	381.23	8.10	-115.84
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395782	0	38	-2.0	-118.42	353.82	1.69	-116.73
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCC(C)(C)O1	REAL300000395783	0	51	-2.0	-135.77	406.63	6.12	-129.65
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000395784	0	34	-2.0	-121.51	321.29	3.60	-117.91
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC(C)(C)C1CC1	REAL300000395785	1	50	-2.0	-128.27	398.22	7.38	-120.89
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C(C(N)=O)O1	REAL300000395787	0	42	-2.0	-129.16	374.06	1.50	-127.66
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395788	0	47	-2.0	-131.83	386.28	8.40	-123.43
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000395789	0	38	-2.0	-126.78	349.97	5.92	-120.86
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300000395790	1	44	-2.0	-126.61	385.59	7.52	-119.09
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000395791	0	43	-2.0	-140.50	370.79	6.40	-134.10
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395792	0	45	-2.0	-130.80	395.99	6.09	-124.71
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000395793	0	39	-2.0	-131.74	360.34	6.32	-125.42
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=N1	REAL300000395794	0	37	-2.0	-130.41	333.52	2.22	-128.19
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000395795	0	45	-2.0	-127.13	384.47	5.57	-121.56
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000395796	0	45	-2.0	-124.23	379.80	5.88	-118.35
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000395797	0	48	-2.0	-124.08	403.96	6.51	-117.57
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000395798	0	45	-2.0	-130.95	378.95	5.92	-125.03
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395799	0	41	-2.0	-127.59	359.27	6.57	-121.02
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000395800	0	46	-2.0	-144.42	391.86	6.47	-137.95
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000395801	0	46	-2.0	-126.99	403.23	5.55	-121.44
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000395802	0	35	-2.0	-127.33	340.00	5.33	-122.00
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395803	0	43	-2.0	-145.21	375.26	5.50	-139.71
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395804	0	40	-2.0	-114.63	349.78	3.23	-111.40
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000395806	0	39	-2.0	-117.72	349.43	4.68	-113.04
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000395807	0	41	-2.0	-133.13	373.39	7.32	-125.81
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000395808	0	45	-2.0	-122.49	386.49	5.61	-116.88
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(C)=C1F	REAL300000395809	0	47	-2.0	-128.00	390.95	8.31	-119.69
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1OC	REAL300000395810	0	46	-2.0	-136.18	390.33	5.82	-130.36
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000395811	0	41	-2.0	-132.94	364.34	6.18	-126.76
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000395812	0	45	-2.0	-130.81	389.85	5.81	-125.00
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000395813	0	41	-2.0	-139.34	364.01	5.11	-134.23
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000395814	0	43	-2.0	-148.73	379.10	4.29	-144.44
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000395815	0	45	-2.0	-133.05	376.98	7.90	-125.15
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=CN=C1N	REAL300000395816	0	42	-2.0	-129.83	362.57	3.60	-126.23
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395817	0	38	-2.0	-126.58	351.86	1.76	-124.82
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)N=CN1	REAL300000395818	0	38	-2.0	-137.98	333.48	3.97	-134.01
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000395820	0	41	-2.0	-128.51	368.25	6.28	-122.23
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000395821	0	48	-2.0	-131.26	406.10	6.30	-124.96
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000395822	0	35	-2.0	-127.24	340.41	5.43	-121.81
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000395823	0	48	-2.0	-127.28	408.55	6.55	-120.73
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000395824	0	42	-2.0	-137.18	372.69	7.00	-130.18
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395825	0	47	-2.0	-133.92	398.94	8.11	-125.81
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395826	0	44	-2.0	-119.23	390.83	4.23	-115.00
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300000395827	0	39	-2.0	-132.87	359.09	6.25	-126.62
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000395828	0	45	-2.0	-127.14	380.26	5.43	-121.71
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395830	0	44	-2.0	-131.79	364.88	7.59	-124.20
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000395831	0	47	-2.0	-120.33	381.50	5.82	-114.51
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000395832	0	47	-2.0	-127.98	399.04	5.60	-122.38
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000395833	0	45	-2.0	-127.84	383.13	4.98	-122.86
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000395834	0	49	-2.0	-127.46	408.84	6.71	-120.75
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000395835	0	41	-2.0	-131.31	362.57	6.71	-124.60
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395836	0	41	-2.0	-121.31	355.71	4.16	-117.15
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1C	REAL300000395838	0	44	-2.0	-133.35	367.07	7.20	-126.15
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000395839	0	41	-2.0	-141.73	355.56	7.19	-134.54
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000395840	0	39	-2.0	-127.99	367.17	6.75	-121.24
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000395841	0	45	-2.0	-133.70	383.77	7.99	-125.71
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=CS1	REAL300000395842	0	39	-2.0	-135.88	356.81	4.34	-131.54
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000395843	0	45	-2.0	-134.96	389.28	8.06	-126.90
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000395844	0	48	-2.0	-124.80	399.39	6.50	-118.30
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395845	0	47	-2.0	-123.77	394.51	5.78	-117.99
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000395847	0	43	-2.0	-140.89	378.16	4.25	-136.64
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)O1	REAL300000395848	0	41	-2.0	-129.94	360.66	5.49	-124.45
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000395849	0	38	-2.0	-121.14	358.43	5.12	-116.02
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000395850	0	44	-2.0	-130.53	387.76	7.42	-123.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)S1	REAL300000395851	0	39	-2.0	-127.06	358.33	4.34	-122.72
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000395852	0	41	-2.0	-123.77	367.22	4.59	-119.18
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395853	0	48	-2.0	-134.87	411.50	6.59	-128.28
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000395854	0	41	-2.0	-133.82	356.19	6.81	-127.01
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000395855	0	41	-2.0	-132.82	360.04	6.29	-126.53
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000395856	0	40	-2.0	-132.19	365.51	5.28	-126.91
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=N1	REAL300000395857	0	40	-2.0	-126.46	355.26	2.76	-123.70
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1Cl	REAL300000395858	0	41	-2.0	-124.47	376.22	4.82	-119.65
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000395859	0	35	-2.0	-122.56	334.32	4.50	-118.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C2=CC=CC=C12	REAL300000395860	0	47	-2.0	-142.65	393.31	8.74	-133.91
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300000395861	0	45	-2.0	-131.03	392.50	6.26	-124.77
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000395863	0	42	-2.0	-131.23	378.37	7.22	-124.01
CC1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395864	0	38	-2.0	-128.90	339.13	4.55	-124.35
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000395865	0	37	-2.0	-113.25	352.20	4.53	-108.72
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000395866	0	44	-2.0	-126.90	377.98	5.89	-121.01
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000395867	0	45	-2.0	-138.79	388.26	7.66	-131.13
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000395868	0	38	-2.0	-123.86	354.46	3.94	-119.92
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000395869	0	44	-2.0	-145.08	372.41	7.72	-137.36
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000395870	0	36	-2.0	-131.49	338.73	4.34	-127.15
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395871	0	40	-2.0	-120.26	362.32	5.30	-114.96
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(C2CC2)=N1	REAL300000395872	0	48	-2.0	-131.01	411.35	6.68	-124.33
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(=O)NC(=O)N1	REAL300000395873	0	41	-2.0	-129.33	357.61	1.61	-127.72
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000395875	0	35	-2.0	-125.95	333.34	4.39	-121.56
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000395876	0	35	-2.0	-123.65	343.36	5.41	-118.24
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000395877	0	46	-2.0	-122.99	386.86	3.64	-119.35
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000395878	0	45	-2.0	-137.04	378.13	8.06	-128.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C(C)=N1	REAL300000395880	0	44	-2.0	-122.73	377.40	3.34	-119.39
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395881	0	44	-2.0	-135.36	381.99	3.70	-131.66
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1C	REAL300000395882	0	44	-2.0	-124.01	381.89	3.31	-120.70
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=N1	REAL300000395883	0	47	-2.0	-127.22	401.96	5.99	-121.23
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000395884	0	47	-2.0	-127.95	398.16	5.63	-122.32
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000395885	0	36	-2.0	-128.74	337.53	4.31	-124.43
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000395886	0	36	-2.0	-133.06	344.07	5.27	-127.79
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000395887	0	44	-2.0	-122.90	376.27	5.15	-117.75
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000395888	0	45	-2.0	-122.35	386.75	6.01	-116.34
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395889	0	41	-2.0	-125.11	365.61	2.24	-122.87
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=NN1C(C)C	REAL300000395890	0	47	-2.0	-129.47	397.64	5.71	-123.76
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000395891	0	40	-2.0	-129.99	363.80	5.01	-124.98
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CC(C(C)C)C1	REAL300000395892	1	50	-2.0	-130.24	404.53	7.57	-122.67
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000395893	0	39	-2.0	-131.63	345.59	3.03	-128.60
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000395894	0	34	-2.0	-119.22	320.23	3.49	-115.73
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000395895	0	43	-3.0	-193.35	385.13	6.44	-186.91
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C(Cl)S1	REAL300000395896	0	38	-2.0	-123.73	359.82	6.29	-117.44
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000395897	0	34	-2.0	-124.61	321.14	3.00	-121.61
CC(C)OC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000395898	0	45	-2.0	-130.88	380.27	5.21	-125.67
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300000395899	0	41	-2.0	-136.98	361.47	6.63	-130.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1I	REAL300000395901	0	25	-2.0	-98.72	268.70	2.31	-96.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1I	REAL300000395904	0	25	-2.0	-110.67	268.57	3.30	-107.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1I	REAL300000395910	0	25	-2.0	-102.16	269.80	3.90	-98.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1I	REAL300000395912	0	25	-2.0	-100.89	269.65	3.79	-97.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1I	REAL300000395913	0	25	-2.0	-104.10	268.74	2.49	-101.61
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)OC)=C1	REAL300000395914	0	44	-2.0	-133.86	392.94	6.73	-127.13
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000395915	0	43	-2.0	-128.73	374.08	5.92	-122.81
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000395917	0	38	-2.0	-139.26	346.65	6.34	-132.92
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000395918	0	40	-3.0	-184.00	371.62	5.78	-178.22
CCCOC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000395918	1	41	-2.0	-112.53	371.63	5.75	-106.78
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000395919	0	37	-2.0	-118.65	350.02	4.69	-113.96
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000395920	0	39	-2.0	-126.27	359.04	6.45	-119.82
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000395921	0	39	-2.0	-121.38	358.97	6.47	-114.91
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000395922	0	38	-2.0	-126.10	360.38	6.66	-119.44
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000395923	0	39	-2.0	-137.73	356.25	6.34	-131.39
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000395924	0	40	-3.0	-196.34	371.16	6.66	-189.68
CCCOC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000395924	1	41	-2.0	-137.86	371.13	6.62	-131.24
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300000395925	0	43	-2.0	-127.71	382.36	7.26	-120.45
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000395926	0	48	-2.0	-133.13	400.87	8.56	-124.57
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000395927	0	40	-3.0	-183.73	366.60	6.64	-177.09
CCCOC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000395927	1	41	-2.0	-108.73	366.57	6.60	-102.13
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300000395928	0	46	-2.0	-140.49	395.89	5.15	-135.34
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300000395929	0	46	-2.0	-128.27	396.89	5.27	-123.00
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000395930	0	45	-2.0	-133.31	383.68	7.97	-125.34
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)ON=C1C	REAL300000395931	0	40	-2.0	-117.58	353.08	4.99	-112.59
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000395932	0	40	-3.0	-200.91	366.61	6.63	-194.28
CCCOC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000395932	1	41	-2.0	-102.79	366.69	6.59	-96.20
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000395933	0	38	-2.0	-118.66	350.86	6.18	-112.48
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1	REAL300000395934	0	41	-2.0	-132.25	359.58	6.73	-125.52
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000395936	0	38	-2.0	-126.77	354.88	6.58	-120.19
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300000395937	0	43	-2.0	-128.53	380.92	6.56	-121.97
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C	REAL300000395938	0	44	-2.0	-132.42	375.04	7.50	-124.92
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C)=C1	REAL300000395939	0	44	-2.0	-133.23	376.57	7.27	-125.96
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000395940	0	38	-2.0	-119.03	360.75	6.63	-112.40
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300000395941	0	43	-2.0	-141.85	380.93	6.55	-135.30
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C	REAL300000395942	0	44	-2.0	-131.51	375.05	7.51	-124.00
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300000395943	0	50	-2.0	-130.47	414.36	8.39	-122.08
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300000395944	0	47	-2.0	-130.37	398.39	7.99	-122.38
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)CC)C=C1	REAL300000395945	0	50	-2.0	-130.25	416.83	8.66	-121.59
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000395946	0	35	-2.0	-121.64	347.13	5.69	-115.95
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC)C=C1	REAL300000395947	0	47	-2.0	-130.47	402.56	8.29	-122.18
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC	REAL300000395948	0	42	-2.0	-138.85	366.41	5.85	-133.00
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000395949	0	43	-3.0	-202.92	382.63	7.16	-195.76
CCCOC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000395949	1	44	-2.0	-104.05	386.59	7.24	-96.81
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000395950	0	38	-2.0	-122.33	356.21	6.26	-116.07
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000395951	0	38	-2.0	-131.39	351.28	6.63	-124.76
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000395952	0	40	-2.0	-126.56	366.37	6.74	-119.82
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300000395953	0	43	-2.0	-127.55	381.86	7.51	-120.04
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000395954	0	35	-2.0	-128.46	330.08	5.08	-123.38
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C=C1	REAL300000395955	0	42	-2.0	-128.12	367.66	5.36	-122.76
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000395956	0	40	-2.0	-142.60	356.67	7.44	-135.16
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1	REAL300000395957	0	41	-2.0	-131.34	359.57	6.74	-124.60
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC)C=C1	REAL300000395958	0	45	-2.0	-127.80	389.51	6.29	-121.51
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000395959	0	38	-2.0	-125.10	350.06	6.20	-118.90
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000395960	0	38	-2.0	-126.90	344.56	6.13	-120.77
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000395961	0	38	-2.0	-119.69	350.98	6.20	-113.49
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300000395962	0	50	-2.0	-131.57	401.66	8.76	-122.81
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000395963	0	44	-2.0	-130.41	382.64	5.23	-125.18
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300000395964	0	47	-2.0	-131.43	389.99	8.43	-123.00
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000395965	0	38	-2.0	-123.19	354.89	6.58	-116.61
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000395966	0	40	-2.0	-116.33	366.38	6.74	-109.59
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000395967	0	38	-2.0	-131.30	338.14	6.07	-125.23
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300000395968	0	45	-2.0	-136.56	394.51	4.95	-131.61
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)S1	REAL300000395969	0	38	-2.0	-129.70	351.97	5.87	-123.83
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300000395970	0	42	-2.0	-130.41	383.14	6.38	-124.03
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000395971	0	40	-3.0	-199.76	372.08	6.70	-193.06
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300000395972	0	43	-2.0	-123.79	376.39	7.34	-116.45
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000395973	0	38	-2.0	-129.75	350.05	6.21	-123.54
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000395974	0	42	-2.0	-124.33	373.90	2.89	-121.44
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(SC)C=C1	REAL300000395975	0	42	-2.0	-127.99	378.36	7.09	-120.90
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000395976	0	43	-2.0	-125.98	380.18	4.52	-121.46
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000395977	0	37	-3.0	-192.68	359.80	5.65	-187.03
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000395978	0	41	-2.0	-123.61	369.90	3.58	-120.03
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC(=O)OC	REAL300000395979	0	40	-2.0	-122.50	356.83	4.65	-117.85
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000395980	0	43	-3.0	-203.29	382.05	7.42	-195.87
CCCOC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000395980	1	44	-2.0	-136.64	383.05	7.46	-129.18
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300000395981	0	44	-2.0	-127.27	374.85	5.11	-122.16
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OC)C=C1	REAL300000395982	0	44	-2.0	-124.24	392.94	6.74	-117.50
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC)C=C1	REAL300000395983	0	45	-2.0	-128.70	394.60	4.35	-124.35
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000395984	0	42	-2.0	-128.51	372.67	2.86	-125.65
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC)C=C1	REAL300000395985	0	44	-2.0	-130.77	381.05	7.51	-123.26
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000395986	0	44	-2.0	-134.09	384.09	8.34	-125.75
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C(=O)OC)SC=C1	REAL300000395987	0	41	-2.0	-140.56	377.73	6.38	-134.18
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCOC)C=C1	REAL300000395988	0	48	-2.0	-129.33	414.73	6.58	-122.75
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300000395989	0	50	-2.0	-130.90	419.31	8.75	-122.15
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000395990	0	38	-2.0	-122.29	344.57	6.13	-116.16
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000395991	0	38	-2.0	-135.44	343.65	6.13	-129.31
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OCCC)C=C1	REAL300000395992	0	48	-2.0	-127.25	411.01	7.09	-120.16
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1Cl	REAL300000395993	0	41	-2.0	-131.15	372.70	7.29	-123.86
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C	REAL300000395994	0	41	-2.0	-122.44	360.03	6.91	-115.53
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000395995	0	38	-2.0	-121.78	357.68	6.71	-115.07
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000395997	0	41	-3.0	-197.69	373.26	5.98	-191.71
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000395998	0	38	-2.0	-136.54	355.62	5.64	-130.90
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000395999	0	43	-2.0	-126.79	380.35	2.22	-124.57
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300000396000	0	42	-2.0	-125.77	383.69	5.92	-119.85
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300000396001	0	42	-2.0	-125.40	373.88	5.44	-119.96
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300000396002	0	45	-2.0	-129.39	387.73	6.11	-123.28
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C)=C1	REAL300000396003	0	48	-2.0	-129.01	409.59	7.03	-121.98
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1	REAL300000396004	0	45	-2.0	-123.96	388.76	3.52	-120.44
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000396005	0	38	-2.0	-125.43	342.70	3.78	-121.65
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300000396006	0	43	-2.0	-116.44	381.86	7.52	-108.92
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC=C1	REAL300000396007	1	44	-2.0	-126.89	382.77	7.62	-119.27
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300000396008	0	46	-2.0	-127.41	402.03	3.72	-123.69
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300000396009	0	41	-2.0	-127.43	370.36	7.36	-120.07
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOC1=CC=C(F)C=C1	REAL300000396010	0	45	-2.0	-121.00	397.66	6.49	-114.51
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300000396011	0	48	-2.0	-128.99	411.74	6.95	-122.04
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000396012	0	40	-3.0	-187.58	375.75	6.32	-181.26
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000396013	0	39	-2.0	-117.54	374.37	6.88	-110.66
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000396014	0	39	-2.0	-118.33	374.42	6.88	-111.45
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000396015	0	42	-2.0	-134.65	376.51	6.44	-128.21
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300000396016	0	41	-2.0	-127.53	373.62	7.17	-120.36
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000396017	0	38	-2.0	-130.91	359.81	6.64	-124.27
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300000396018	0	41	-2.0	-127.29	364.88	6.77	-120.52
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300000396019	0	41	-2.0	-123.45	370.36	7.35	-116.10
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000396020	0	41	-2.0	-135.90	365.06	6.80	-129.10
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C	REAL300000396021	0	41	-2.0	-127.62	360.04	6.91	-120.71
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCCl)C=C1	REAL300000396022	0	44	-2.0	-129.13	398.20	8.13	-121.00
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300000396023	0	43	-2.0	-142.72	376.55	8.43	-134.29
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000396024	0	37	-3.0	-194.78	358.27	5.67	-189.11
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000396025	0	40	-2.0	-135.54	363.09	7.53	-128.01
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000396026	0	40	-2.0	-136.81	371.55	7.45	-129.36
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300000396027	0	45	-2.0	-128.21	383.11	6.14	-122.07
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300000396028	0	48	-2.0	-130.13	402.76	6.89	-123.24
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1O	REAL300000396029	0	42	-2.0	-133.54	369.26	4.43	-129.11
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000396030	0	35	-2.0	-122.23	319.73	2.46	-119.77
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OC)S1	REAL300000396031	0	41	-2.0	-121.75	386.03	5.84	-115.91
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000396032	0	42	-2.0	-120.06	375.96	6.43	-113.63
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000396033	0	38	-2.0	-127.34	353.07	6.41	-120.93
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000396034	0	40	-3.0	-191.62	369.62	5.77	-185.85
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000396035	0	41	-2.0	-152.63	366.35	5.27	-147.36
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1OCC	REAL300000396036	0	48	-2.0	-141.11	409.68	7.44	-133.67
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000396037	0	40	-2.0	-146.56	364.17	7.70	-138.86
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000396038	0	37	-2.0	-119.26	339.57	4.35	-114.91
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=CS1	REAL300000396039	0	41	-2.0	-127.85	386.20	5.73	-122.12
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300000396040	0	43	-2.0	-132.15	374.31	6.51	-125.64
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000396041	0	38	-2.0	-137.66	342.33	5.15	-132.51
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC)C=C1C	REAL300000396042	0	48	-2.0	-127.91	404.96	7.06	-120.85
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300000396043	0	42	-2.0	-117.01	377.90	3.05	-113.96
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000396044	0	38	-2.0	-116.50	354.11	4.58	-111.92
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000396045	0	38	-2.0	-131.64	349.92	6.20	-125.44
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000396046	0	44	-2.0	-136.97	381.28	5.71	-131.26
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C)=N1	REAL300000396047	0	41	-2.0	-139.20	362.70	4.98	-134.22
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(COC)=C1	REAL300000396049	0	45	-2.0	-133.42	393.22	5.79	-127.63
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000396050	0	43	-2.0	-128.70	374.13	5.36	-123.34
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000396051	0	38	-2.0	-126.24	357.69	6.69	-119.55
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC(F)(F)F	REAL300000396052	0	41	-2.0	-119.96	376.47	4.31	-115.65
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300000396053	0	46	-2.0	-129.03	395.06	6.68	-122.35
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C	REAL300000396054	0	38	-2.0	-122.95	338.53	3.11	-119.84
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC)=C1	REAL300000396055	0	42	-2.0	-132.91	367.65	5.37	-127.54
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C	REAL300000396056	0	41	-2.0	-131.34	353.64	6.84	-124.50
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000396057	0	38	-2.0	-135.58	342.99	3.61	-131.97
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000396058	0	38	-2.0	-119.77	338.39	3.69	-116.08
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOC	REAL300000396059	0	38	-2.0	-121.51	335.04	2.89	-118.62
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000396060	0	42	-2.0	-133.81	357.50	4.29	-129.52
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCCO1	REAL300000396061	0	45	-2.0	-131.80	375.01	5.36	-126.44
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1F	REAL300000396064	0	41	-2.0	-134.91	365.06	6.80	-128.11
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C)=C1	REAL300000396065	0	41	-2.0	-123.04	364.88	6.76	-116.28
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000396066	0	35	-2.0	-135.35	319.62	3.45	-131.90
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1	REAL300000396067	0	41	-2.0	-121.65	377.69	4.85	-116.80
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000396068	0	43	-2.0	-148.53	378.08	6.70	-141.83
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000396069	0	38	-2.0	-120.02	356.37	6.25	-113.77
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000396070	0	40	-3.0	-197.41	376.31	6.52	-190.89
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=CC=C1Cl	REAL300000396071	0	42	-2.0	-132.26	380.76	5.94	-126.32
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300000396072	0	40	-2.0	-119.67	368.80	5.29	-114.38
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300000396073	0	48	-2.0	-129.90	398.37	6.77	-123.13
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300000396075	0	50	-2.0	-127.62	416.25	6.71	-120.91
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CS1	REAL300000396076	0	38	-2.0	-129.82	346.38	5.89	-123.93
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(CC)N=C1C	REAL300000396077	0	47	-2.0	-127.57	396.67	5.97	-121.60
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300000396078	0	43	-2.0	-117.18	382.37	7.26	-109.92
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300000396081	0	42	-2.0	-126.93	374.38	7.24	-119.69
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1C	REAL300000396082	0	42	-2.0	-121.58	374.40	7.23	-114.35
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000396084	0	39	-2.0	-124.28	364.45	6.53	-117.75
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300000396085	0	43	-2.0	-126.81	381.80	3.73	-123.08
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000396086	0	44	-2.0	-125.87	382.91	5.15	-120.72
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000396088	0	43	-2.0	-130.55	379.11	6.46	-124.09
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(=O)OC)N=C1	REAL300000396089	0	44	-2.0	-131.38	397.53	4.84	-126.54
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000396090	0	44	-2.0	-135.82	382.12	4.50	-131.32
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000396093	0	38	-2.0	-112.42	357.14	6.26	-106.16
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOC(C)C	REAL300000396094	0	44	-2.0	-122.36	377.17	4.60	-117.76
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)OC)=C1	REAL300000396095	0	45	-2.0	-132.19	399.32	6.17	-126.02
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000396096	0	40	-3.0	-182.15	371.14	6.67	-175.48
CCCOC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000396096	1	41	-2.0	-112.67	371.15	6.63	-106.04
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300000396097	0	44	-2.0	-124.03	385.19	7.40	-116.63
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000396098	0	37	-3.0	-185.91	358.87	5.75	-180.16
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000396099	0	47	-2.0	-137.98	402.90	7.32	-130.66
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000396100	0	40	-3.0	-189.96	373.03	6.69	-183.27
CCCOC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000396100	1	41	-2.0	-127.69	373.06	6.66	-121.03
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(=O)OC)=C1	REAL300000396101	0	42	-2.0	-128.99	381.55	4.41	-124.58
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000396102	0	40	-3.0	-183.68	372.07	6.70	-176.98
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000396103	0	41	-2.0	-125.86	358.94	6.87	-118.99
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(=O)OC)=C1	REAL300000396104	0	41	-2.0	-128.38	385.42	5.75	-122.63
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N=C(C)S1	REAL300000396105	0	40	-2.0	-125.33	362.42	4.67	-120.66
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000396106	0	42	-2.0	-136.70	380.40	7.24	-129.46
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(CC)=C1	REAL300000396107	0	44	-2.0	-132.71	381.04	7.50	-125.21
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300000396108	0	41	-2.0	-127.10	365.98	6.80	-120.30
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=C(C)O1	REAL300000396110	0	44	-2.0	-123.06	396.04	5.52	-117.54
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300000396111	0	41	-2.0	-125.52	370.36	6.83	-118.69
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000396112	0	44	-2.0	-140.82	379.19	8.39	-132.43
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000396113	0	40	-2.0	-126.50	370.15	5.55	-120.95
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000396114	0	41	-3.0	-202.21	376.33	4.34	-197.87
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000396115	0	48	-2.0	-136.26	393.46	8.70	-127.56
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000396116	0	43	-3.0	-190.86	388.80	7.41	-183.45
CCCOC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000396116	1	44	-2.0	-109.68	388.90	7.38	-102.30
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OCC)O1	REAL300000396117	0	44	-2.0	-121.92	399.56	5.79	-116.13
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000396118	0	40	-2.0	-117.40	372.79	6.80	-110.60
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(OC)C=CS1	REAL300000396120	0	39	-2.0	-140.31	360.32	4.35	-135.96
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000396121	0	41	-2.0	-131.34	367.92	6.47	-124.87
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000396122	0	38	-2.0	-117.06	354.18	4.97	-112.09
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000396123	0	38	-2.0	-131.92	358.33	4.90	-127.02
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300000396124	0	46	-2.0	-133.54	397.14	4.67	-128.87
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000396125	0	39	-2.0	-133.55	353.99	4.81	-128.74
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000396126	0	39	-2.0	-119.46	360.37	3.90	-115.56
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C)S1	REAL300000396127	0	37	-2.0	-125.04	346.68	3.90	-121.14
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000396128	0	43	-3.0	-195.84	376.65	7.27	-188.57
CCCOC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000396128	1	44	-2.0	-102.62	377.54	7.31	-95.31
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOCCOC	REAL300000396129	0	45	-2.0	-124.45	390.52	3.11	-121.34
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000396130	0	43	-3.0	-184.17	382.03	7.40	-176.77
CCCOC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000396130	1	44	-2.0	-111.01	383.03	7.46	-103.55
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300000396131	0	39	-2.0	-126.34	367.45	6.74	-119.60
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300000396132	0	41	-2.0	-129.63	370.34	6.85	-122.78
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(CC)=C1	REAL300000396133	0	50	-2.0	-133.11	415.31	8.64	-124.47
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000396135	0	44	-2.0	-137.25	383.59	6.45	-130.80
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OC)N=C1	REAL300000396136	0	43	-2.0	-119.00	388.89	4.90	-114.10
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)CC)=C1	REAL300000396137	0	46	-2.0	-141.66	401.24	7.34	-134.32
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CCOC)N=C1	REAL300000396138	0	45	-2.0	-123.71	397.90	3.69	-120.02
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300000396139	0	43	-2.0	-132.33	388.47	6.91	-125.42
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300000396141	0	42	-2.0	-138.80	375.39	6.85	-131.95
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000396142	0	47	-2.0	-130.13	411.14	7.72	-122.41
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CCC)C=N1	REAL300000396143	0	44	-2.0	-136.98	385.64	6.81	-130.17
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000396144	0	46	-2.0	-124.02	396.19	3.82	-120.20
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1F	REAL300000396145	0	41	-2.0	-136.60	363.97	6.78	-129.82
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC)N=C1	REAL300000396146	0	44	-2.0	-121.70	387.19	3.69	-118.01
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000396147	0	45	-2.0	-140.01	384.10	6.10	-133.91
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(COC)C=C1	REAL300000396148	0	45	-2.0	-130.66	393.23	5.80	-124.86
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=CC=C1O	REAL300000396149	0	43	-2.0	-134.98	377.42	3.05	-131.93
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300000396150	0	41	-2.0	-132.51	370.02	7.20	-125.31
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C)=C1	REAL300000396152	0	41	-2.0	-128.11	361.10	5.65	-122.46
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000396153	0	46	-2.0	-130.26	391.86	6.69	-123.57
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1COC	REAL300000396154	0	45	-2.0	-129.63	384.75	6.10	-123.53
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300000396155	0	48	-2.0	-128.00	407.43	6.91	-121.09
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)O1	REAL300000396156	0	38	-2.0	-128.76	342.75	4.89	-123.87
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)S1	REAL300000396157	0	41	-2.0	-130.96	371.79	6.49	-124.47
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000396158	0	41	-2.0	-125.76	364.19	4.73	-121.03
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000396159	0	40	-2.0	-113.77	370.89	6.76	-107.01
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000396160	0	38	-2.0	-120.16	361.30	6.65	-113.51
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)OC)=C1	REAL300000396161	0	44	-2.0	-123.42	395.99	5.63	-117.79
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000396162	0	37	-2.0	-119.58	349.92	4.77	-114.81
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC)C(C)=N1	REAL300000396163	0	44	-2.0	-139.56	383.76	5.86	-133.70
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300000396164	0	41	-2.0	-132.04	372.69	7.30	-124.74
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000396165	0	44	-3.0	-199.29	394.55	6.84	-192.45
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300000396166	0	41	-2.0	-126.32	378.03	4.82	-121.50
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(CC)N(C)N=C1CC	REAL300000396167	0	50	-2.0	-129.08	417.63	6.63	-122.45
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000396168	0	38	-2.0	-135.05	354.21	6.86	-128.19
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1Cl	REAL300000396169	0	40	-2.0	-127.47	368.05	5.39	-122.08
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300000396170	0	43	-2.0	-128.16	387.19	6.26	-121.90
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(CC)S1	REAL300000396171	0	40	-2.0	-124.72	368.16	4.64	-120.08
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300000396172	0	45	-2.0	-124.86	387.82	6.20	-118.66
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000396173	0	39	-2.0	-120.90	372.04	7.04	-113.86
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000396174	0	41	-2.0	-140.30	366.09	6.39	-133.91
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C(=O)OC)=C1	REAL300000396175	0	43	-2.0	-124.79	388.13	4.93	-119.86
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCOC1	REAL300000396176	1	45	-2.0	-129.32	371.30	4.87	-124.45
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300000396177	1	46	-2.0	-132.85	389.24	6.45	-126.40
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CS1	REAL300000396178	1	41	-2.0	-125.55	373.01	6.72	-118.83
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300000396179	0	38	-2.0	-122.38	367.14	6.30	-116.08
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000396180	0	41	-2.0	-137.04	372.32	7.00	-130.04
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000396181	0	41	-2.0	-123.95	377.22	4.93	-119.02
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1SC	REAL300000396182	0	42	-2.0	-138.04	374.23	7.13	-130.91
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300000396183	0	42	-2.0	-121.62	373.89	5.44	-116.18
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000396184	0	37	-2.0	-135.62	350.84	6.47	-129.15
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000396185	0	35	-2.0	-127.44	320.83	4.05	-123.39
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000396186	0	37	-2.0	-112.99	332.64	2.48	-110.51
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000396187	0	43	-2.0	-122.52	382.51	5.19	-117.33
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000396188	0	37	-2.0	-118.63	359.32	5.84	-112.79
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000396189	0	42	-2.0	-132.01	366.28	5.51	-126.50
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000396190	0	39	-2.0	-125.72	372.07	7.03	-118.69
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CC	REAL300000396191	0	44	-2.0	-129.87	368.36	7.79	-122.08
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000396193	0	42	-2.0	-143.74	376.54	6.15	-137.59
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC(C)(C)C#N	REAL300000396194	1	44	-2.0	-126.62	377.38	5.92	-120.70
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000396195	0	39	-2.0	-136.75	362.92	4.37	-132.38
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(OC)=C1	REAL300000396196	0	41	-2.0	-125.77	362.74	3.54	-122.23
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300000396197	0	44	-2.0	-126.44	379.64	5.50	-120.94
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300000396199	1	41	-2.0	-126.60	378.01	7.35	-119.25
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(NC(C)=O)S1	REAL300000396200	0	41	-2.0	-131.81	383.12	3.55	-128.26
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300000396200	1	40	-3.0	-193.16	379.83	2.43	-190.73
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000396201	0	42	-2.0	-130.90	371.00	7.33	-123.57
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000396202	0	42	-2.0	-136.82	380.39	7.23	-129.59
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300000396203	0	44	-2.0	-121.67	374.68	7.82	-113.85
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300000396204	0	39	-2.0	-116.96	345.69	3.44	-113.52
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300000396205	0	42	-2.0	-134.40	383.14	6.39	-128.01
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000396206	0	39	-2.0	-123.80	365.65	4.84	-118.96
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300000396207	0	49	-2.0	-130.54	419.40	6.86	-123.68
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=CC=C1C	REAL300000396208	0	45	-2.0	-133.57	383.11	6.14	-127.43
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000396210	0	36	-2.0	-118.92	350.69	5.62	-113.30
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1	REAL300000396211	0	40	-2.0	-126.58	354.75	4.90	-121.68
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000396212	0	43	-2.0	-129.16	379.33	6.43	-122.73
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300000396213	0	42	-2.0	-121.23	378.14	6.97	-114.26
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000396214	0	37	-2.0	-112.78	355.89	4.75	-108.03
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(C)OC	REAL300000396215	0	41	-2.0	-128.83	354.15	3.84	-124.99
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C=C1F	REAL300000396216	0	42	-2.0	-131.29	373.13	5.44	-125.85
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300000396217	0	44	-2.0	-129.17	383.88	6.59	-122.58
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000396218	0	41	-2.0	-128.05	372.33	7.00	-121.05
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=NN1C	REAL300000396220	0	41	-2.0	-120.72	355.01	4.53	-116.19
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300000396221	1	44	-2.0	-125.28	399.51	8.13	-117.15
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000396222	0	36	-2.0	-119.07	342.06	4.61	-114.46
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000396223	0	35	-2.0	-126.25	329.26	4.98	-121.27
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000396224	0	35	-2.0	-126.06	320.68	3.96	-122.10
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000396225	0	43	-3.0	-184.36	382.62	7.18	-177.18
CCCOC1=CC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000396225	1	44	-2.0	-106.30	383.20	7.18	-99.12
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)N=C1	REAL300000396226	0	41	-2.0	-121.69	365.34	2.76	-118.93
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000396227	0	38	-2.0	-129.69	360.38	6.66	-123.03
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C(CCC)C(=O)OCC	REAL300000396228	0	49	-2.0	-131.95	416.73	7.22	-124.73
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000396229	0	41	-2.0	-132.59	374.71	7.43	-125.16
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000396230	0	41	-2.0	-135.39	364.75	4.70	-130.69
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OCC)=C1	REAL300000396231	0	45	-2.0	-132.98	389.50	6.30	-126.68
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(=O)(CC)CC	REAL300000396232	0	44	-2.0	-156.89	382.57	3.66	-153.23
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300000396233	0	47	-2.0	-133.63	405.45	9.00	-124.63
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000396234	0	35	-2.0	-130.02	346.13	5.52	-124.50
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CS1	REAL300000396235	0	38	-2.0	-128.70	351.72	5.74	-122.96
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000396236	0	35	-2.0	-122.20	336.43	2.88	-119.32
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000396237	0	37	-2.0	-121.27	345.07	4.18	-117.09
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000396238	0	47	-2.0	-123.60	402.69	5.13	-118.47
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000396239	0	47	-2.0	-122.37	407.33	4.62	-117.75
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300000396240	0	46	-2.0	-127.99	398.69	7.03	-120.96
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000396241	0	41	-2.0	-124.60	374.33	6.54	-118.06
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=NS1	REAL300000396242	0	37	-2.0	-120.88	346.64	4.37	-116.51
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(=O)S1	REAL300000396243	1	35	-2.0	-118.69	334.98	1.96	-116.73
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300000396244	0	42	-2.0	-158.30	369.30	3.35	-154.95
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000396245	0	45	-2.0	-130.44	387.37	8.18	-122.26
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000396246	0	35	-2.0	-133.29	336.43	5.11	-128.18
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000396247	0	39	-2.0	-117.47	364.87	6.51	-110.96
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1=CC=CC=C1	REAL300000396248	0	48	-2.0	-126.93	408.77	6.64	-120.29
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1(COC)CC1	REAL300000396249	0	42	-2.0	-133.36	359.70	5.11	-128.25
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(C)=O	REAL300000396250	0	38	-2.0	-154.88	343.51	2.02	-152.86
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000396251	0	35	-2.0	-128.88	319.77	2.65	-126.23
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000396252	0	43	-2.0	-135.30	375.14	2.98	-132.32
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)S1	REAL300000396253	0	41	-2.0	-131.16	368.26	6.70	-124.46
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000396254	0	39	-2.0	-116.51	361.55	4.93	-111.58
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000396255	0	40	-2.0	-118.36	365.70	5.45	-112.91
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1(CC(=O)OCC)CC1	REAL300000396258	0	47	-2.0	-139.34	404.73	7.53	-131.81
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1	REAL300000396259	0	41	-2.0	-127.54	358.81	4.30	-123.24
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OCCC)C=C1	REAL300000396260	0	42	-2.0	-131.08	369.25	7.16	-123.92
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C	REAL300000396261	0	41	-2.0	-126.32	361.53	4.43	-121.89
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000396262	0	38	-2.0	-118.19	354.04	4.66	-113.53
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(C)(C)C(=O)OC	REAL300000396263	0	46	-2.0	-123.19	386.44	6.05	-117.14
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000396265	0	38	-2.0	-122.85	353.79	3.60	-119.25
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1(C(=O)OC)CCCC1	REAL300000396266	0	50	-2.0	-136.57	411.37	7.21	-129.36
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300000396267	0	42	-2.0	-122.58	383.69	5.92	-116.66
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(N)=O)S1	REAL300000396268	0	42	-2.0	-139.89	389.73	2.71	-137.18
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000396269	0	40	-3.0	-204.37	370.24	6.66	-197.71
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000396270	0	40	-2.0	-141.99	369.35	5.49	-136.50
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000396271	0	43	-2.0	-133.25	373.95	5.91	-127.34
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300000396272	1	45	-2.0	-130.21	388.21	8.25	-121.96
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000396273	0	41	-2.0	-131.48	365.28	7.57	-123.91
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000396274	0	43	-2.0	-141.79	374.46	5.89	-135.90
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(CC)OC	REAL300000396275	0	44	-2.0	-128.54	370.48	4.73	-123.81
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(CC(C)C)OC	REAL300000396276	0	50	-2.0	-129.92	409.65	5.97	-123.95
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC1CC1	REAL300000396277	0	45	-2.0	-122.09	388.57	5.43	-116.66
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300000396278	1	44	-2.0	-123.47	399.51	8.15	-115.32
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F	REAL300000396279	0	41	-2.0	-138.12	368.06	7.02	-131.10
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000396280	0	43	-2.0	-128.01	382.00	4.53	-123.48
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1CC1	REAL300000396281	0	45	-2.0	-129.11	380.96	5.46	-123.65
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300000396282	0	42	-2.0	-134.66	372.81	5.93	-128.73
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CON=C1C	REAL300000396283	0	37	-2.0	-117.37	336.91	3.97	-113.40
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300000396284	0	41	-2.0	-124.19	373.63	7.16	-117.03
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000396285	0	44	-2.0	-140.08	386.24	7.05	-133.03
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(=O)N(C)C	REAL300000396286	0	43	-2.0	-143.74	379.67	2.02	-141.72
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000396287	0	37	-2.0	-130.98	338.65	4.25	-126.73
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000396290	0	37	-2.0	-117.50	339.56	4.22	-113.28
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC1CCC1	REAL300000396291	0	48	-2.0	-122.15	405.14	5.97	-116.18
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000396292	0	36	-2.0	-132.32	348.61	5.46	-126.86
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C(C)C	REAL300000396294	0	47	-2.0	-129.73	387.67	5.27	-124.46
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000396295	0	38	-2.0	-119.50	360.75	6.63	-112.87
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000396296	0	46	-2.0	-142.05	390.35	7.27	-134.78
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300000396298	1	44	-2.0	-123.62	389.19	7.69	-115.93
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC=C1F	REAL300000396299	1	44	-2.0	-130.19	388.34	7.66	-122.53
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300000396300	1	44	-2.0	-129.07	395.47	8.00	-121.07
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300000396302	0	45	-2.0	-141.65	394.08	3.50	-138.15
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(=O)NC1=O	REAL300000396303	0	41	-2.0	-129.71	366.55	2.76	-126.95
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OCC)C1CC1	REAL300000396304	0	48	-2.0	-130.64	402.81	6.43	-124.21
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C)N1C	REAL300000396305	0	41	-2.0	-125.92	357.51	5.05	-120.87
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1CCCC1	REAL300000396306	0	51	-2.0	-128.35	414.89	6.45	-121.90
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1CCCCC1	REAL300000396307	0	54	-2.0	-127.26	428.41	6.95	-120.31
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300000396308	0	44	-2.0	-122.59	395.59	5.43	-117.16
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000396309	0	41	-2.0	-125.73	377.90	5.57	-120.16
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000396310	0	37	-2.0	-122.34	355.53	4.67	-117.67
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300000396311	1	44	-2.0	-132.70	393.40	7.68	-125.02
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1F	REAL300000396312	0	41	-2.0	-131.61	370.28	6.84	-124.77
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000396313	0	40	-2.0	-146.40	366.51	4.97	-141.43
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OCCC)C(C)=N1	REAL300000396314	0	50	-2.0	-126.10	426.07	6.84	-119.26
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000396315	0	39	-3.0	-199.53	363.58	4.70	-194.83
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300000396316	0	42	-2.0	-129.56	370.94	6.22	-123.34
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000396317	0	39	-2.0	-119.14	365.46	6.53	-112.61
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000396318	0	40	-2.0	-125.70	361.42	5.11	-120.59
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000396318	1	40	-2.0	-141.81	361.32	5.26	-136.55
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000396319	0	42	-2.0	-137.54	371.89	6.03	-131.51
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000396320	0	48	-2.0	-125.43	399.15	6.18	-119.25
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000396321	0	50	-2.0	-125.12	406.51	6.69	-118.43
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000396323	0	48	-2.0	-126.04	405.56	6.42	-119.62
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1CC1C1=CC=CC(F)=C1	REAL300000396324	1	45	-2.0	-136.94	385.66	8.39	-128.55
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000396325	0	39	-2.0	-129.07	354.33	3.82	-125.25
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000396325	1	38	-3.0	-218.52	350.77	4.69	-213.83
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OCCC)C=C1	REAL300000396326	0	48	-2.0	-130.32	415.37	8.85	-121.47
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1CC	REAL300000396327	0	44	-2.0	-126.47	381.00	5.22	-121.25
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1	REAL300000396328	0	43	-2.0	-127.74	383.17	6.54	-121.20
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000396329	0	38	-2.0	-119.86	343.35	3.43	-116.43
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C#N	REAL300000396330	0	42	-2.0	-136.39	377.65	7.01	-129.38
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C#N	REAL300000396331	0	42	-2.0	-138.84	369.90	7.30	-131.54
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000396333	0	45	-2.0	-133.56	401.92	8.02	-125.54
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300000396334	0	44	-2.0	-122.76	385.02	8.26	-114.50
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(OC)=NS1	REAL300000396335	0	38	-2.0	-117.46	357.40	1.87	-115.59
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCC(C)(C)O1	REAL300000396336	0	51	-2.0	-134.84	410.20	6.29	-128.55
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000396337	0	34	-2.0	-120.53	324.89	3.78	-116.75
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300000396340	0	42	-2.0	-128.00	377.66	1.68	-126.32
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CCC	REAL300000396341	0	47	-2.0	-130.80	389.86	8.57	-122.23
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000396342	0	38	-2.0	-125.90	353.51	6.13	-119.77
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300000396343	1	44	-2.0	-125.62	389.19	7.69	-117.93
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000396344	0	43	-2.0	-139.51	374.39	6.58	-132.93
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=CN1C	REAL300000396345	0	45	-2.0	-129.61	399.57	6.27	-123.34
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000396346	0	39	-2.0	-130.74	363.94	6.50	-124.24
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=N1	REAL300000396347	0	37	-2.0	-129.41	337.10	2.40	-127.01
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000396348	0	45	-2.0	-126.04	388.05	5.75	-120.29
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000396349	0	45	-2.0	-123.24	383.38	6.05	-117.19
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000396350	0	48	-2.0	-123.04	407.55	6.69	-116.35
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000396351	0	45	-2.0	-129.96	382.53	6.10	-123.86
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC=C1C	REAL300000396352	0	41	-2.0	-126.45	362.88	6.74	-119.71
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000396353	0	46	-2.0	-143.37	395.41	6.65	-136.72
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000396354	0	46	-2.0	-125.89	406.82	5.73	-120.16
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000396355	0	35	-2.0	-126.29	343.58	5.51	-120.78
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300000396356	0	43	-2.0	-144.19	378.84	5.67	-138.52
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=NN1CC	REAL300000396357	0	40	-2.0	-113.62	353.38	3.41	-110.21
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000396359	0	39	-2.0	-116.77	353.03	4.86	-111.91
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000396360	0	41	-2.0	-132.01	376.99	7.50	-124.51
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000396361	0	45	-2.0	-121.50	390.09	5.79	-115.71
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300000396362	0	47	-2.0	-126.83	394.05	8.43	-118.40
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300000396363	0	46	-2.0	-135.25	393.94	6.00	-129.25
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000396364	0	41	-2.0	-131.98	367.92	6.35	-125.63
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000396365	0	45	-2.0	-129.85	393.45	5.98	-123.87
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000396366	0	41	-2.0	-138.18	367.58	5.27	-132.91
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000396367	0	43	-2.0	-147.75	382.69	4.47	-143.28
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000396368	0	45	-2.0	-132.08	378.83	8.04	-124.04
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(N)C(C)=C1	REAL300000396369	0	42	-2.0	-128.88	366.17	3.78	-125.10
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSN=C1OC	REAL300000396370	0	38	-2.0	-125.55	355.45	1.94	-123.61
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)NC=N1	REAL300000396371	0	38	-2.0	-136.90	337.09	4.15	-132.75
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000396373	0	41	-2.0	-127.42	371.88	6.46	-120.96
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000396374	0	48	-2.0	-130.27	409.66	6.48	-123.79
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000396375	0	35	-2.0	-126.16	343.99	5.60	-120.56
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000396376	0	48	-2.0	-126.13	412.14	6.72	-119.41
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000396377	0	42	-2.0	-136.21	376.29	7.18	-129.03
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(CCC)=C1	REAL300000396378	0	47	-2.0	-132.78	402.54	8.28	-124.50
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=NN1C	REAL300000396379	0	44	-2.0	-118.22	394.42	4.41	-113.81
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300000396380	0	39	-2.0	-131.81	362.71	6.42	-125.39
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000396381	0	45	-2.0	-126.16	383.84	5.61	-120.55
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C	REAL300000396383	0	44	-2.0	-130.53	368.28	7.75	-122.78
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000396384	0	47	-2.0	-119.61	385.13	5.99	-113.62
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000396385	0	47	-2.0	-126.89	402.64	5.78	-121.11
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000396386	0	45	-2.0	-126.78	386.73	5.16	-121.62
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000396387	0	49	-2.0	-126.40	412.43	6.88	-119.52
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000396388	0	41	-2.0	-130.14	366.15	6.88	-123.26
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=NN1C	REAL300000396389	0	41	-2.0	-120.38	359.31	4.33	-116.05
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C	REAL300000396391	0	44	-2.0	-132.30	370.65	7.37	-124.93
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000396392	0	41	-2.0	-140.68	359.14	7.36	-133.32
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000396393	0	39	-2.0	-127.13	370.76	6.92	-120.21
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000396394	0	45	-2.0	-132.61	387.38	8.17	-124.44
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(OC)SC=C1	REAL300000396395	0	39	-2.0	-134.74	360.41	4.52	-130.22
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000396396	0	45	-2.0	-133.83	392.86	8.23	-125.60
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000396397	0	48	-2.0	-123.76	402.96	6.66	-117.10
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)CC	REAL300000396398	0	47	-2.0	-122.87	398.11	5.97	-116.90
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000396400	0	43	-2.0	-139.87	381.76	4.43	-135.44
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC)O1	REAL300000396401	0	41	-2.0	-128.87	364.23	5.67	-123.20
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000396402	0	38	-2.0	-120.21	362.01	5.29	-114.92
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000396403	0	44	-2.0	-129.50	391.36	7.60	-121.90
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)S1	REAL300000396404	0	39	-2.0	-125.92	361.93	4.52	-121.40
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000396405	0	41	-2.0	-122.72	370.82	4.78	-117.94
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(COCC)=C1	REAL300000396406	0	48	-2.0	-133.76	415.07	6.75	-127.01
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000396407	0	41	-2.0	-132.79	359.79	6.98	-125.81
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000396408	0	41	-2.0	-131.78	363.65	6.47	-125.31
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000396409	0	40	-2.0	-131.19	369.09	5.46	-125.73
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(CC)N=C1	REAL300000396410	0	40	-2.0	-125.58	359.01	2.91	-122.67
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(CC)N=C1	REAL300000396411	0	41	-2.0	-123.43	379.81	4.99	-118.44
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000396412	0	35	-2.0	-121.58	337.90	4.68	-116.90
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300000396413	0	47	-2.0	-141.67	396.91	8.92	-132.75
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300000396414	0	45	-2.0	-129.95	396.09	6.44	-123.51
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000396416	0	42	-2.0	-130.13	381.96	7.39	-122.74
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CO1	REAL300000396417	0	38	-2.0	-127.90	342.74	4.73	-123.17
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000396418	0	37	-2.0	-112.31	355.78	4.71	-107.60
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000396419	0	44	-2.0	-125.92	381.55	6.07	-119.85
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000396420	0	45	-2.0	-137.62	391.87	7.84	-129.78
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000396421	0	38	-2.0	-122.94	358.03	4.11	-118.83
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000396422	0	44	-2.0	-143.97	375.99	7.90	-136.07
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000396423	0	36	-2.0	-130.41	342.31	4.52	-125.89
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300000396424	0	40	-2.0	-119.33	365.90	5.46	-113.87
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300000396425	0	48	-2.0	-130.05	414.95	6.86	-123.19
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)NC(=O)NC1=O	REAL300000396426	0	41	-2.0	-128.42	361.21	1.79	-126.63
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000396428	0	35	-2.0	-124.90	336.94	4.58	-120.32
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000396429	0	35	-2.0	-122.67	346.96	5.59	-117.08
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000396430	0	46	-2.0	-122.01	390.43	3.81	-118.20
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000396431	0	45	-2.0	-135.91	381.70	8.23	-127.68
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)N=C1C	REAL300000396433	0	44	-2.0	-121.71	381.00	3.50	-118.21
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CN=C1OC	REAL300000396434	0	44	-2.0	-134.33	385.56	3.87	-130.46
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300000396435	0	44	-2.0	-122.98	385.46	3.48	-119.50
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000396436	0	47	-2.0	-125.48	401.11	6.21	-119.27
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300000396437	0	47	-2.0	-126.99	403.59	5.75	-121.24
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000396438	0	36	-2.0	-127.57	341.08	4.49	-123.08
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000396439	0	36	-2.0	-132.02	347.63	5.45	-126.57
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000396440	0	44	-2.0	-121.94	379.88	5.34	-116.60
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000396441	0	45	-2.0	-121.39	390.36	6.19	-115.20
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1=CC(OC)=NO1	REAL300000396442	0	41	-2.0	-124.13	369.21	2.41	-121.72
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300000396443	0	47	-2.0	-128.41	402.63	5.82	-122.59
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000396444	0	40	-2.0	-129.05	367.40	5.18	-123.87
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CC(C(C)C)C1	REAL300000396445	1	50	-2.0	-129.24	408.13	7.75	-121.49
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000396446	0	39	-2.0	-130.55	349.17	3.21	-127.34
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000396447	0	34	-2.0	-118.23	323.81	3.66	-114.57
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000396448	0	43	-3.0	-192.02	388.75	6.62	-185.40
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300000396449	0	38	-2.0	-122.54	364.70	6.46	-116.08
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000396450	0	34	-2.0	-123.57	324.73	3.18	-120.39
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000396451	0	45	-2.0	-129.74	383.88	5.39	-124.35
CCCOC1=CC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000396452	0	41	-2.0	-135.90	365.06	6.80	-129.10
O=C([O-])C1=CC(S(=O)(=O)N(CCCO)C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300000396478	0	41	-2.0	-113.00	360.23	4.93	-108.07
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CCCO)C2=CC=CC=C2)=C1	REAL300000396501	0	39	-2.0	-112.37	334.27	3.14	-109.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=CC=C1F	REAL300000396534	1	35	-2.0	-118.69	334.82	2.90	-115.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C1	REAL300000396535	1	35	-2.0	-108.39	330.27	2.88	-105.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000396536	1	35	-2.0	-120.93	330.29	2.86	-118.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000396537	0	39	-2.0	-125.38	358.43	2.67	-122.71
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C1	REAL300000396538	1	39	-2.0	-107.44	361.76	4.19	-103.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000396539	1	38	-2.0	-123.54	350.35	3.51	-120.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=C1C	REAL300000396540	1	41	-2.0	-122.28	362.68	4.19	-118.09
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000396541	0	35	-2.0	-117.60	335.76	2.94	-114.66
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C1	REAL300000396542	1	41	-2.0	-106.46	373.88	4.46	-102.00
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000396543	0	32	-2.0	-115.46	323.47	1.90	-113.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000396544	1	38	-2.0	-120.86	345.71	3.66	-117.20
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C1	REAL300000396545	1	39	-2.0	-106.15	361.38	3.16	-102.99
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000396546	0	36	-2.0	-119.30	336.93	2.23	-117.07
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000396547	1	39	-2.0	-120.92	354.49	1.69	-119.23
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000396548	0	35	-2.0	-111.49	339.40	2.55	-108.94
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000396549	1	41	-2.0	-122.08	361.35	4.21	-117.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=CS1	REAL300000396550	0	32	-2.0	-116.94	321.94	1.91	-115.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000396551	1	39	-2.0	-127.30	357.56	2.95	-124.35
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000396552	1	41	-2.0	-118.21	360.43	4.59	-113.62
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000396553	0	35	-2.0	-113.81	333.29	2.02	-111.79
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000396554	0	39	-2.0	-122.77	359.27	1.96	-120.81
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000396555	1	38	-2.0	-111.04	350.99	3.69	-107.35
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000396556	0	35	-2.0	-116.94	338.88	2.78	-114.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C1F	REAL300000396557	1	35	-2.0	-107.69	334.80	2.93	-104.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)S1	REAL300000396558	0	32	-2.0	-110.26	322.55	2.00	-108.26
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000396559	1	35	-2.0	-111.62	336.69	2.94	-108.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=C1F	REAL300000396560	0	38	-2.0	-119.02	356.06	3.57	-115.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C(F)=C1	REAL300000396561	0	35	-2.0	-108.17	335.75	2.95	-105.22
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000396562	0	36	-2.0	-118.98	340.00	0.59	-118.39
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000396562	1	36	-2.0	-117.54	339.04	1.45	-116.09
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C1	REAL300000396563	1	38	-2.0	-111.10	352.48	3.66	-107.44
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000396564	1	38	-2.0	-117.99	340.35	3.50	-114.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000396565	1	38	-2.0	-119.54	355.14	3.53	-116.01
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000396566	1	38	-2.0	-108.14	345.70	3.65	-104.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000396567	1	41	-2.0	-125.39	367.78	4.08	-121.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000396568	1	41	-2.0	-122.60	364.76	4.26	-118.34
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000396569	0	38	-2.0	-119.89	355.60	3.57	-116.32
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000396570	0	38	-2.0	-127.73	355.32	3.57	-124.16
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000396571	1	41	-2.0	-123.42	364.51	4.05	-119.37
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000396572	0	39	-2.0	-120.64	358.30	3.10	-117.54
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000396573	1	38	-2.0	-108.60	346.29	3.41	-105.19
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000396574	1	38	-2.0	-117.52	350.24	3.69	-113.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=C1F	REAL300000396575	0	35	-2.0	-126.87	333.95	2.90	-123.97
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000396576	1	38	-2.0	-114.03	355.22	3.54	-110.49
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000396577	0	34	-2.0	-116.94	327.27	0.93	-116.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000396578	0	39	-2.0	-112.58	358.49	2.67	-109.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)=C(Cl)O1	REAL300000396579	0	32	-2.0	-107.98	330.43	1.84	-106.14
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCS(=O)(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000396580	0	38	-2.0	-113.57	352.42	2.87	-110.70
CC1=COC(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2C)=N1	REAL300000396583	1	40	-2.0	-113.55	359.46	4.77	-108.78
CC1=COC(C2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C2C)=N1	REAL300000396584	1	44	-2.0	-100.13	390.91	6.07	-94.06
CC1=COC(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2C)=N1	REAL300000396586	0	40	-2.0	-110.15	364.94	4.84	-105.31
CC1=COC(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2C)=N1	REAL300000396587	0	37	-2.0	-107.75	352.65	3.79	-103.96
CC1=COC(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C2C)=N1	REAL300000396588	1	43	-2.0	-113.45	374.89	5.56	-107.89
CC1=COC(C2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2C)=N1	REAL300000396589	1	41	-2.0	-110.91	369.24	3.89	-107.02
CC1=COC(C2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC=C2C)=N1	REAL300000396590	0	40	-2.0	-103.80	368.58	4.46	-99.34
CC1=COC(C2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2C)=N1	REAL300000396591	0	37	-2.0	-108.19	354.16	3.58	-104.61
CC1=COC(C2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C2C)=N1	REAL300000396592	0	40	-2.0	-106.68	362.47	3.91	-102.77
CC1=COC(C2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C2C)=N1	REAL300000396593	1	40	-2.0	-109.93	368.06	4.66	-105.27
CC1=COC(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2C)=N1	REAL300000396594	1	40	-2.0	-100.30	363.98	4.81	-95.49
CC1=COC(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2C)=N1	REAL300000396595	0	37	-2.0	-102.57	351.73	3.90	-98.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C3=NC(C)=CO3)=C2)C=C1C(=O)[O-]	REAL300000396602	1	44	-2.0	-113.33	387.49	4.98	-108.35
CC1=COC(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2C)=N1	REAL300000396605	0	39	-2.0	-111.35	355.68	2.90	-108.45
CC1=COC(C2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2C)=N1	REAL300000396606	0	37	-2.0	-100.75	359.61	3.76	-96.99
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C3=NC(C)=CO3)=C2)C=C(C(=O)[O-])O1	REAL300000396607	0	43	-2.0	-106.28	381.59	4.76	-101.52
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000396609	1	34	-2.0	-102.25	328.52	7.14	-95.11
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000396611	0	31	-2.0	-96.72	321.70	6.15	-90.57
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000396612	1	37	-2.0	-103.49	343.95	7.93	-95.56
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000396613	1	35	-2.0	-100.61	335.16	6.49	-94.12
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000396614	0	31	-2.0	-98.16	320.17	6.17	-91.99
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000396615	0	34	-2.0	-96.60	331.52	6.27	-90.33
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000396616	0	31	-2.0	-91.77	320.78	6.26	-85.51
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000396617	1	37	-2.0	-93.64	350.69	7.92	-85.72
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000396621	0	33	-2.0	-100.17	324.73	5.25	-94.92
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=CC=C(F)C=C32)=CC(C(=O)[O-])=C1	REAL300000396649	0	36	-2.0	-113.59	328.89	6.22	-107.37
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCOC3=CC=C(F)C=C32)=C1	REAL300000396672	0	34	-2.0	-109.34	310.51	4.43	-104.91
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000396720	0	36	-2.0	-108.86	335.17	3.75	-105.11
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000396721	0	36	-2.0	-98.84	330.61	3.73	-95.11
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000396722	0	36	-2.0	-111.52	330.64	3.72	-107.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=C(OC)C(F)=C1	REAL300000396723	0	40	-2.0	-117.50	358.78	3.52	-113.98
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000396724	0	40	-2.0	-98.44	362.09	5.02	-93.42
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000396725	0	39	-2.0	-112.71	346.65	4.26	-108.45
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1F	REAL300000396726	0	36	-2.0	-107.50	343.71	4.29	-103.21
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000396727	0	36	-2.0	-107.29	343.14	4.12	-103.17
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000396728	0	42	-2.0	-115.04	363.30	5.07	-109.97
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000396729	0	36	-2.0	-109.22	336.10	3.79	-105.43
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000396730	0	42	-2.0	-97.87	374.20	5.30	-92.57
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000396731	0	33	-2.0	-105.71	323.83	2.75	-102.96
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000396732	0	39	-2.0	-112.87	346.07	4.50	-108.37
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1F	REAL300000396733	0	40	-2.0	-97.07	361.71	4.01	-93.06
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000396734	0	37	-2.0	-109.80	337.28	3.07	-106.73
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1F	REAL300000396735	0	40	-2.0	-113.58	354.42	2.55	-111.03
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000396736	0	36	-2.0	-101.86	339.77	3.41	-98.45
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1F	REAL300000396737	0	42	-2.0	-114.13	362.09	5.02	-109.11
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000396738	0	33	-2.0	-107.12	322.29	2.76	-104.36
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000396739	0	40	-2.0	-117.32	357.93	3.80	-113.52
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1F	REAL300000396740	0	45	-2.0	-115.17	384.53	5.73	-109.44
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1OC	REAL300000396741	0	42	-2.0	-111.12	360.76	5.43	-105.69
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=C(OC)C(F)=C1	REAL300000396742	0	43	-2.0	-117.49	381.07	4.28	-113.21
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000396743	0	38	-3.0	-186.61	359.04	4.30	-182.31
COC1=CC(OC)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000396743	1	39	-2.0	-113.62	359.03	4.23	-109.39
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1F	REAL300000396744	0	43	-2.0	-117.27	374.88	5.62	-111.65
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000396745	0	36	-2.0	-105.55	333.64	2.88	-102.67
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000396746	0	40	-2.0	-111.95	359.55	2.81	-109.14
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1F	REAL300000396747	0	43	-2.0	-97.53	381.80	4.71	-92.82
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1F	REAL300000396748	0	39	-2.0	-103.22	351.35	4.54	-98.68
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2OC)C=C1C(=O)[O-]	REAL300000396749	0	43	-2.0	-117.91	379.79	4.71	-113.20
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000396750	0	36	-2.0	-109.01	340.33	3.61	-105.40
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1F	REAL300000396751	0	36	-2.0	-96.43	343.69	4.29	-92.14
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000396752	0	36	-2.0	-98.32	335.15	3.76	-94.56
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000396753	0	33	-2.0	-100.63	322.90	2.85	-97.78
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000396754	0	36	-2.0	-102.22	337.04	3.80	-98.42
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1F	REAL300000396755	0	39	-2.0	-110.65	356.39	4.43	-106.22
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000396756	0	36	-2.0	-98.20	336.10	3.80	-94.40
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000396757	0	36	-2.0	-96.42	343.12	4.13	-92.29
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000396758	0	36	-2.0	-100.32	341.45	3.82	-96.50
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000396759	0	37	-2.0	-111.86	340.35	1.44	-110.42
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000396760	0	39	-2.0	-102.90	352.82	4.50	-98.40
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000396761	0	39	-2.0	-107.15	340.67	4.34	-102.81
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000396762	0	39	-2.0	-110.22	355.47	4.39	-105.83
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000396763	0	39	-2.0	-99.11	346.05	4.48	-94.63
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000396764	0	42	-2.0	-114.64	363.51	4.79	-109.85
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1F	REAL300000396765	0	36	-2.0	-100.60	342.37	3.85	-96.75
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000396766	0	42	-2.0	-111.69	364.17	5.13	-106.56
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1F	REAL300000396767	0	39	-2.0	-111.46	355.95	4.42	-107.04
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1F	REAL300000396768	0	39	-2.0	-115.79	355.68	4.43	-111.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2OC)C=C1C(=O)[O-]	REAL300000396769	0	42	-2.0	-113.38	364.96	4.91	-108.47
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(OC)C(F)=C2)C=C1CC(=O)[O-]	REAL300000396770	0	43	-2.0	-113.53	381.11	3.85	-109.68
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2OC)C=C1C(=O)[O-]	REAL300000396771	0	40	-2.0	-111.10	358.58	3.94	-107.16
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000396772	0	39	-2.0	-99.05	346.64	4.26	-94.79
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1F	REAL300000396773	0	39	-2.0	-110.37	350.17	4.56	-105.81
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000396774	0	36	-2.0	-115.02	334.27	3.75	-111.27
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000396775	0	39	-2.0	-103.05	351.80	4.31	-98.74
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000396776	0	35	-2.0	-109.25	327.62	1.78	-107.47
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000396777	0	40	-2.0	-103.15	358.84	3.52	-99.63
COC1=CC(OC)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000396778	0	33	-2.0	-99.32	330.74	2.70	-96.62
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1F	REAL300000396779	0	43	-2.0	-105.72	376.76	5.61	-100.11
COC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1F	REAL300000396780	0	43	-2.0	-107.68	374.72	5.58	-102.10
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2OC)C=C(C(=O)[O-])O1	REAL300000396781	0	39	-2.0	-105.45	352.76	3.72	-101.73
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000396782	0	47	-2.0	-99.50	411.15	5.23	-94.27
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000396783	0	40	-2.0	-115.96	359.22	6.68	-109.28
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(C)C)C=C1	REAL300000396784	0	48	-2.0	-117.53	414.31	7.76	-109.77
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000396785	0	40	-2.0	-105.71	354.68	6.66	-99.05
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000396786	0	40	-2.0	-119.47	354.69	6.65	-112.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(C)C)C=C1	REAL300000396787	0	44	-2.0	-125.69	382.83	6.46	-119.23
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000396788	0	44	-2.0	-105.68	386.14	7.94	-97.74
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000396789	0	43	-2.0	-121.96	374.76	7.29	-114.67
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000396790	0	40	-2.0	-115.24	367.76	7.21	-108.03
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000396791	0	40	-2.0	-114.53	367.20	7.04	-107.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)=C1C	REAL300000396792	0	46	-2.0	-122.56	387.80	7.97	-114.59
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000396793	0	40	-2.0	-117.19	360.17	6.71	-110.48
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000396794	0	46	-2.0	-104.73	398.27	8.24	-96.49
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000396795	0	37	-2.0	-112.80	347.87	5.67	-107.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(C)C)C=C1	REAL300000396796	0	43	-2.0	-120.68	370.12	7.42	-113.26
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000396797	0	44	-2.0	-104.44	385.76	6.93	-97.51
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000396798	0	41	-2.0	-117.67	361.34	5.99	-111.68
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(C)C)C=C1	REAL300000396799	0	44	-2.0	-120.46	378.89	5.46	-115.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)=C1	REAL300000396800	0	40	-2.0	-109.32	363.81	6.33	-102.99
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000396801	0	46	-2.0	-121.53	386.14	7.96	-113.57
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000396802	0	37	-2.0	-114.80	346.34	5.68	-109.12
COC1=CC(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000396803	0	48	-2.0	-119.14	413.00	6.46	-112.68
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000396804	0	44	-2.0	-125.30	381.97	6.71	-118.59
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000396805	0	50	-2.0	-124.95	409.93	9.27	-115.68
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000396806	0	49	-2.0	-122.58	408.59	8.65	-113.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(C)C)C=C1	REAL300000396807	0	46	-2.0	-118.85	384.83	8.37	-110.48
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(C)C)C=C1	REAL300000396808	0	47	-2.0	-126.17	405.12	7.22	-118.95
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000396809	0	42	-3.0	-195.52	383.09	7.21	-188.31
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000396810	0	47	-2.0	-125.23	398.93	8.53	-116.70
CC1=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000396811	0	40	-2.0	-112.92	357.69	5.79	-107.13
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000396812	0	46	-2.0	-123.75	396.85	6.42	-117.33
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)=C1	REAL300000396813	0	44	-2.0	-120.09	383.67	5.75	-114.34
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000396814	0	48	-2.0	-105.41	408.32	7.26	-98.15
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000396815	0	40	-2.0	-110.99	372.29	7.23	-103.76
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)=CC=C1OCC(=O)[O-]	REAL300000396816	0	47	-2.0	-104.89	405.83	7.64	-97.25
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(C)C)C=C1	REAL300000396817	0	43	-2.0	-110.60	375.41	7.45	-103.15
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000396818	0	44	-2.0	-103.54	391.99	7.00	-96.54
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000396819	0	47	-2.0	-126.23	403.82	7.62	-118.61
CC1=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000396820	0	40	-2.0	-116.67	363.32	6.54	-110.13
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000396821	0	40	-2.0	-103.16	367.74	7.20	-95.96
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000396822	0	40	-2.0	-104.98	359.20	6.69	-98.29
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000396823	0	37	-2.0	-108.00	346.94	5.78	-102.22
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000396824	0	40	-2.0	-109.60	361.09	6.71	-102.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)=C1F	REAL300000396825	0	43	-2.0	-118.71	380.45	7.35	-111.36
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000396826	0	40	-2.0	-105.75	360.15	6.72	-99.03
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000396827	0	40	-2.0	-103.23	367.18	7.05	-96.18
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(C)C)C=C1	REAL300000396828	0	43	-2.0	-112.50	384.13	7.85	-104.65
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000396829	0	48	-2.0	-102.29	418.42	8.06	-94.23
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000396830	0	40	-2.0	-107.58	365.51	6.74	-100.84
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000396831	0	42	-2.0	-103.90	382.88	7.32	-96.58
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000396832	0	41	-2.0	-119.11	364.40	4.36	-114.75
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000396833	0	43	-2.0	-110.40	376.88	7.43	-102.97
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000396834	0	40	-2.0	-109.21	375.39	7.18	-102.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CCC(C)C)C=C1	REAL300000396835	0	43	-2.0	-115.26	364.76	7.28	-107.98
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)=CC(C(=O)[O-])=C1F	REAL300000396836	0	43	-2.0	-117.37	379.52	7.30	-110.07
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCC(C)C)C=C1	REAL300000396837	0	43	-2.0	-105.86	370.10	7.42	-98.44
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)=CC(C(=O)[O-])=C1C	REAL300000396838	0	46	-2.0	-123.94	391.49	7.82	-116.12
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000396839	0	42	-2.0	-116.67	381.24	7.74	-108.93
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000396840	0	40	-2.0	-107.82	366.42	6.77	-101.05
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C(C)=C1C(=O)[O-]	REAL300000396841	0	46	-2.0	-119.03	389.17	8.03	-111.00
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000396842	0	43	-2.0	-117.86	376.16	7.25	-110.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)=C1Cl	REAL300000396843	0	43	-2.0	-117.06	386.46	7.78	-109.28
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)=C1	REAL300000396844	0	43	-2.0	-124.32	379.70	7.34	-116.98
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000396845	0	46	-2.0	-121.57	388.62	7.83	-113.74
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C=C1CC(=O)[O-]	REAL300000396846	0	47	-2.0	-121.48	405.15	6.78	-114.70
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(CCC(C)C)C=C1	REAL300000396847	0	43	-2.0	-108.36	380.95	7.83	-100.53
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000396848	0	43	-2.0	-116.89	385.91	7.61	-109.28
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000396849	0	44	-2.0	-119.03	382.71	6.87	-112.16
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C(C)=C1CC(=O)[O-]	REAL300000396850	0	52	-2.0	-119.47	419.84	9.53	-109.94
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000396851	0	43	-2.0	-112.10	384.55	7.61	-104.49
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=N1	REAL300000396852	0	49	-2.0	-115.71	404.12	8.74	-106.97
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000396853	0	43	-2.0	-106.40	370.69	7.19	-99.21
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000396854	0	45	-2.0	-111.62	397.95	8.84	-102.78
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(C)C)C=C1	REAL300000396855	0	43	-2.0	-117.57	374.65	7.45	-110.12
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000396856	0	42	-2.0	-126.45	378.42	8.51	-117.94
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000396857	0	40	-2.0	-123.50	358.33	6.67	-116.83
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000396858	0	43	-2.0	-110.34	375.85	7.22	-103.12
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000396859	0	46	-2.0	-128.33	395.72	8.78	-119.55
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000396860	0	39	-2.0	-117.28	350.91	4.77	-112.51
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCC(C)C)C=C1	REAL300000396861	0	44	-2.0	-110.33	382.89	6.46	-103.87
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000396862	0	37	-2.0	-106.45	354.79	5.62	-100.83
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000396863	0	47	-2.0	-112.69	400.81	8.54	-104.15
CC(C)CCN1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000396864	0	47	-2.0	-116.67	400.13	8.54	-108.13
CCC1=C(S(=O)(=O)[N-]C2=NN(CCC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000396865	0	43	-2.0	-112.27	376.81	6.64	-105.63
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1	REAL300000396866	0	34	-2.0	-83.48	323.49	1.74	-81.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC=C1F	REAL300000396867	1	27	-2.0	-98.54	271.56	3.18	-95.36
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396868	0	35	-2.0	-100.38	326.65	4.25	-96.13
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396869	0	27	-2.0	-96.61	283.45	3.87	-92.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396870	0	31	-2.0	-106.21	295.18	2.96	-103.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC=C1Br	REAL300000396871	0	27	-2.0	-96.12	283.28	3.63	-92.49
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1	REAL300000396872	0	31	-2.0	-89.12	298.48	4.45	-84.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000396873	1	30	-2.0	-102.67	287.10	3.79	-98.88
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396874	0	27	-2.0	-97.13	280.10	3.72	-93.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC=C1Cl	REAL300000396875	0	27	-2.0	-96.69	279.54	3.53	-93.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C(Cl)C=C1Cl	REAL300000396876	0	27	-2.0	-92.87	292.60	4.10	-88.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1C	REAL300000396877	0	33	-2.0	-104.19	299.43	4.46	-99.73
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396878	0	27	-2.0	-98.25	272.51	3.21	-95.04
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1	REAL300000396879	0	33	-2.0	-88.37	310.60	4.73	-83.64
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396880	0	24	-2.0	-94.92	260.22	2.17	-92.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396881	0	30	-2.0	-102.46	282.47	3.93	-98.53
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1	REAL300000396882	1	31	-2.0	-87.73	298.10	3.42	-84.31
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)N=C3)C=C2)C1	REAL300000396883	0	38	-2.0	-84.45	343.87	4.22	-80.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C(Br)S1	REAL300000396884	0	24	-2.0	-92.64	277.21	2.95	-89.69
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396885	1	31	-2.0	-102.93	291.24	1.97	-100.96
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1F	REAL300000396886	0	27	-2.0	-95.77	291.95	3.79	-91.98
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396887	0	27	-2.0	-91.42	276.14	2.83	-88.59
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000396888	1	33	-2.0	-103.91	298.10	4.49	-99.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CS1	REAL300000396889	0	24	-2.0	-96.38	258.68	2.18	-94.20
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000396890	0	35	-2.0	-100.81	325.35	2.97	-97.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000396891	1	31	-2.0	-106.32	294.31	3.23	-103.09
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396892	0	37	-2.0	-105.85	322.27	5.79	-100.06
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396893	0	36	-2.0	-104.52	320.93	5.16	-99.36
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396894	0	33	-2.0	-101.39	297.16	4.89	-96.50
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396895	0	34	-2.0	-105.89	317.46	3.71	-102.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC(C(=O)[O-])=C1	REAL300000396896	0	29	-3.0	-172.84	295.44	3.71	-169.13
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)N=C2)=CC(C(=O)[O-])=C1	REAL300000396896	1	30	-2.0	-109.76	297.86	3.71	-106.05
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396897	0	34	-2.0	-106.13	311.28	5.05	-101.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C(C(=O)[O-])O1	REAL300000396898	0	27	-2.0	-95.67	270.04	2.29	-93.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC2=C1OCCO2	REAL300000396899	0	33	-2.0	-105.09	309.20	2.92	-102.17
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396900	0	31	-2.0	-101.38	296.02	2.24	-99.14
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)N=C3)C=C2C1	REAL300000396901	1	35	-2.0	-88.84	320.67	3.76	-85.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC(Cl)=C1Cl	REAL300000396902	0	27	-2.0	-90.59	294.71	4.00	-86.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C(Cl)C=C1F	REAL300000396903	0	27	-2.0	-94.25	284.63	3.74	-90.51
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1Cl	REAL300000396904	0	31	-2.0	-86.51	314.13	3.96	-82.55
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC=C1OCC(=O)[O-]	REAL300000396905	1	34	-2.0	-88.16	318.18	4.13	-84.03
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1F	REAL300000396906	0	37	-2.0	-87.75	346.77	4.39	-83.36
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396907	0	30	-2.0	-93.26	287.74	3.97	-89.29
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000396908	1	40	-2.0	-88.64	360.62	5.06	-83.58
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1F	REAL300000396909	0	31	-2.0	-87.53	304.33	3.49	-84.04
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1Cl	REAL300000396910	0	37	-2.0	-87.31	356.58	4.88	-82.43
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000396911	1	34	-2.0	-106.97	316.17	4.13	-102.84
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C(C(=O)[O-])S1	REAL300000396912	0	27	-2.0	-98.99	276.73	3.03	-95.96
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396913	0	27	-2.0	-90.95	295.25	4.17	-86.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C(Cl)=C1	REAL300000396914	0	27	-2.0	-86.60	280.09	3.71	-82.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C(Br)=C1	REAL300000396915	0	27	-2.0	-86.28	283.44	3.84	-82.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1F	REAL300000396916	0	27	-2.0	-88.65	271.55	3.20	-85.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)S1	REAL300000396917	0	24	-2.0	-90.20	259.30	2.27	-87.93
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396918	0	27	-2.0	-91.79	273.44	3.22	-88.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1F	REAL300000396919	0	30	-2.0	-99.26	292.78	3.84	-95.42
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000396920	0	31	-2.0	-91.16	307.34	3.78	-87.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C(F)=C1	REAL300000396921	0	27	-2.0	-87.93	272.48	3.22	-84.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1Cl	REAL300000396922	0	27	-2.0	-86.60	279.52	3.56	-83.04
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396923	0	30	-2.0	-94.92	296.47	4.35	-90.57
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396924	0	30	-2.0	-90.23	297.86	4.44	-85.79
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1	REAL300000396925	0	35	-2.0	-86.28	330.78	4.56	-81.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1Br	REAL300000396926	0	27	-2.0	-86.07	283.25	3.66	-82.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC(F)=C1F	REAL300000396927	0	27	-2.0	-90.41	277.85	3.24	-87.17
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396928	0	29	-2.0	-86.21	295.24	3.82	-82.39
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396929	0	28	-2.0	-101.97	276.75	0.86	-101.11
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000396930	0	30	-2.0	-95.41	304.88	4.31	-91.10
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1	REAL300000396931	0	30	-2.0	-92.76	289.20	3.92	-88.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC(Cl)=C1F	REAL300000396932	0	27	-2.0	-91.71	287.74	3.68	-88.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396933	0	30	-2.0	-96.20	277.07	3.78	-92.42
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396934	0	30	-2.0	-95.33	300.51	4.44	-90.89
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC(C(=O)[O-])=C1F	REAL300000396935	1	30	-2.0	-99.52	291.87	3.80	-95.72
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396936	1	30	-2.0	-89.46	282.44	3.92	-85.54
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC(C(=O)[O-])=C1C	REAL300000396937	1	33	-2.0	-104.47	303.83	4.32	-100.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC=C1[N+](=O)[O-]	REAL300000396938	0	29	-2.0	-99.78	293.59	4.23	-95.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396939	0	27	-2.0	-89.96	278.79	3.27	-86.69
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)S1	REAL300000396940	0	24	-2.0	-88.11	279.61	2.84	-85.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C(C)=C1C(=O)[O-]	REAL300000396941	1	33	-2.0	-100.56	300.42	4.56	-96.00
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000396942	0	30	-2.0	-98.97	288.51	3.75	-95.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1Cl	REAL300000396943	0	30	-2.0	-98.54	298.81	4.29	-94.25
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396944	0	30	-2.0	-104.04	292.05	3.84	-100.20
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000396945	1	33	-2.0	-102.07	301.27	4.33	-97.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C(Br)C=C1F	REAL300000396946	0	27	-2.0	-93.85	287.97	3.87	-89.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1CC(=O)[O-]	REAL300000396947	1	34	-2.0	-103.01	317.50	3.27	-99.74
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396948	0	30	-2.0	-89.93	293.29	4.33	-85.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1C(F)(F)F	REAL300000396949	0	30	-2.0	-85.67	297.15	3.97	-81.70
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000396950	0	30	-2.0	-98.14	298.26	4.11	-94.03
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396951	0	27	-2.0	-93.52	288.32	3.76	-89.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1Br	REAL300000396952	0	30	-2.0	-98.24	301.63	4.41	-93.83
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000396953	0	31	-2.0	-100.07	295.06	3.37	-96.70
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C(C)=C1CC(=O)[O-]	REAL300000396954	1	39	-2.0	-99.83	332.18	6.02	-93.81
O=C([O-])C1=CC(F)=C(Br)C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396955	0	27	-2.0	-89.14	289.14	3.90	-85.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C(F)C(Cl)=C1F	REAL300000396956	0	27	-2.0	-89.06	292.62	3.72	-85.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C(OC(F)(F)F)=C1	REAL300000396957	0	31	-2.0	-87.75	311.72	3.44	-84.31
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000396958	0	30	-2.0	-94.90	300.77	4.22	-90.68
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C(C(=O)[O-])S1	REAL300000396959	0	36	-2.0	-99.05	316.47	5.28	-93.77
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000396960	0	31	-2.0	-102.44	307.36	3.79	-98.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC=C1C(=O)[O-]	REAL300000396961	1	30	-2.0	-88.83	283.04	3.69	-85.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C([N+](=O)[O-])=C1	REAL300000396962	0	32	-2.0	-93.09	310.30	5.33	-87.76
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396963	1	30	-2.0	-100.23	286.99	3.96	-96.27
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1[N+](=O)[O-]	REAL300000396964	0	29	-2.0	-107.08	290.77	5.00	-102.08
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1F	REAL300000396965	0	27	-2.0	-103.69	270.69	3.17	-100.52
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000396966	0	30	-2.0	-93.24	291.97	3.83	-89.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC2=CC=CC=C21	REAL300000396967	0	33	-2.0	-108.29	308.08	5.28	-103.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1	REAL300000396968	0	31	-2.0	-92.79	295.24	2.94	-89.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C(Cl)O1	REAL300000396969	0	24	-2.0	-89.11	267.18	2.11	-87.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=CC=C1OC(F)(F)F	REAL300000396970	1	31	-2.0	-96.11	310.81	3.71	-92.40
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)N=C2)=C1	REAL300000396971	0	30	-2.0	-91.53	310.38	0.19	-91.34
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)N=C3)C=C2)CC1	REAL300000396972	0	34	-2.0	-95.66	313.16	5.03	-90.63
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)N=C3)C=C2C1	REAL300000396973	0	34	-2.0	-97.37	312.47	5.03	-92.34
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2)C=C(C(=O)[O-])O1	REAL300000396974	0	30	-2.0	-95.68	289.16	3.14	-92.54
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000396975	0	43	-2.0	-110.43	390.70	5.65	-104.78
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000396976	0	43	-2.0	-101.30	386.16	5.62	-95.68
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000396977	0	43	-2.0	-112.98	386.18	5.61	-107.37
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000396978	0	46	-2.0	-115.50	406.25	6.26	-109.24
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000396979	0	43	-2.0	-110.32	391.65	5.67	-104.65
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000396980	0	40	-2.0	-107.50	379.36	4.64	-102.86
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300000396981	0	46	-2.0	-113.46	401.63	6.41	-107.05
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000396982	0	44	-2.0	-111.73	392.82	4.98	-106.75
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000396983	0	40	-2.0	-108.80	377.83	4.65	-104.15
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=N1	REAL300000396984	0	43	-2.0	-106.79	389.19	4.77	-102.02
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000396985	0	43	-2.0	-100.67	390.70	5.65	-95.02
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000396986	0	40	-2.0	-103.20	378.45	4.74	-98.46
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000396987	0	43	-2.0	-104.02	392.57	5.68	-98.34
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000396988	0	43	-2.0	-101.03	391.66	5.70	-95.33
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000396989	0	44	-2.0	-112.44	395.92	3.34	-109.10
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000396990	0	46	-2.0	-104.66	408.33	6.40	-98.26
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000396991	0	46	-2.0	-111.12	396.25	6.24	-104.88
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000396992	0	46	-2.0	-101.28	401.62	6.40	-94.88
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=N1	REAL300000396993	0	47	-2.0	-113.03	414.20	5.84	-107.19
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000396994	0	46	-2.0	-101.55	402.17	6.16	-95.39
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000396995	0	43	-2.0	-119.27	389.87	5.65	-113.62
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000396996	0	42	-2.0	-110.87	382.39	3.74	-107.13
CCOC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=N1	REAL300000396997	0	46	-2.0	-106.51	408.30	5.62	-100.89
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000396998	0	40	-2.0	-109.98	358.17	3.60	-106.38
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000396999	0	40	-2.0	-99.98	353.64	3.57	-96.41
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000397000	0	40	-2.0	-112.70	353.64	3.57	-109.13
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C=C1OC	REAL300000397001	0	44	-2.0	-118.15	381.78	3.37	-114.78
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000397002	0	44	-2.0	-99.40	385.10	4.87	-94.53
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000397003	0	43	-2.0	-115.16	373.71	4.21	-110.95
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000397004	0	46	-2.0	-115.57	386.30	4.92	-110.65
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000397005	0	40	-2.0	-109.97	359.10	3.62	-106.35
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000397006	0	46	-2.0	-98.72	397.22	5.15	-93.57
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000397007	0	37	-2.0	-106.92	346.83	2.59	-104.33
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000397008	0	43	-2.0	-113.32	369.07	4.33	-108.99
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000397009	0	44	-2.0	-98.07	384.70	3.86	-94.21
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000397010	0	41	-2.0	-110.94	360.29	2.92	-108.02
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000397011	0	44	-2.0	-114.03	377.42	2.39	-111.64
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000397012	0	40	-2.0	-102.99	362.74	3.25	-99.74
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000397013	0	46	-2.0	-114.63	385.09	4.86	-109.77
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000397014	0	37	-2.0	-108.28	345.29	2.61	-105.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C=C2OC)C=C1C(=O)[O-]	REAL300000397015	0	44	-2.0	-118.43	380.92	3.64	-114.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C=C1OC	REAL300000397016	0	46	-2.0	-111.39	383.76	5.28	-106.11
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000397017	0	40	-2.0	-106.29	356.65	2.71	-103.58
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COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000397020	0	40	-2.0	-109.54	363.33	3.44	-106.10
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000397021	0	40	-2.0	-99.37	358.15	3.61	-95.76
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000397022	0	37	-2.0	-101.80	345.90	2.70	-99.10
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000397023	0	40	-2.0	-103.45	360.04	3.64	-99.81
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000397024	0	43	-2.0	-111.51	379.38	4.28	-107.23
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000397025	0	40	-2.0	-99.52	359.10	3.64	-95.88
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000397026	0	41	-2.0	-112.16	363.35	1.29	-110.87
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000397027	0	43	-2.0	-103.57	375.82	4.35	-99.22
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000397028	0	43	-2.0	-108.80	363.68	4.19	-104.61
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000397029	0	43	-2.0	-111.45	378.47	4.22	-107.23
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000397030	0	43	-2.0	-100.04	369.05	4.33	-95.71
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000397031	0	46	-2.0	-115.92	386.51	4.64	-111.28
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000397032	0	46	-2.0	-113.26	387.17	4.97	-108.29
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000397033	0	43	-2.0	-112.34	378.96	4.27	-108.07
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000397034	0	43	-2.0	-117.61	378.67	4.27	-113.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C=C2OC)C=C1C(=O)[O-]	REAL300000397035	0	46	-2.0	-114.66	387.96	4.74	-109.92
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C=C2OC)C=C1C(=O)[O-]	REAL300000397036	0	44	-2.0	-112.27	381.66	3.79	-108.48
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000397037	0	43	-2.0	-100.12	369.64	4.11	-96.01
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000397038	0	43	-2.0	-110.88	373.17	4.40	-106.48
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000397039	0	40	-2.0	-116.77	357.30	3.59	-113.18
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000397040	0	43	-2.0	-104.27	374.80	4.14	-100.13
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000397041	0	39	-2.0	-109.80	350.62	1.62	-108.18
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000397042	0	44	-2.0	-104.30	381.84	3.37	-100.93
COC1=CC(OC)=C(OC)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000397043	0	37	-2.0	-100.20	353.74	2.54	-97.66
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C=C2OC)C=C(C(=O)[O-])O1	REAL300000397044	0	43	-2.0	-106.05	375.76	3.56	-102.49
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2Br)=C1	REAL300000397047	1	25	-2.0	-93.69	295.90	5.24	-88.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2Br)S1	REAL300000397051	1	25	-2.0	-88.85	294.97	5.34	-83.51
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2Br)=C1	REAL300000397052	1	27	-2.0	-96.63	298.96	4.33	-92.30
CC(C)C1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000397080	0	43	-2.0	-112.51	378.12	8.80	-103.71
CC(C)C1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000397105	0	41	-2.0	-107.40	353.19	7.02	-100.38
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1	REAL300000397140	0	40	-2.0	-88.08	362.11	4.15	-83.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC=C1F	REAL300000397141	1	33	-2.0	-104.52	310.17	5.59	-98.93
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=NC=C21	REAL300000397142	0	41	-2.0	-104.97	365.25	6.65	-98.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1	REAL300000397143	1	33	-2.0	-94.71	305.62	5.57	-89.14
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397144	1	33	-2.0	-107.03	305.63	5.55	-101.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=NC=C21	REAL300000397145	0	37	-2.0	-111.83	333.76	5.36	-106.47
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1	REAL300000397146	1	37	-2.0	-94.07	337.09	6.85	-87.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1C(=O)[O-]	REAL300000397147	1	36	-2.0	-108.19	321.65	6.08	-102.11
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397148	0	33	-2.0	-102.14	318.71	6.13	-96.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC=C1Cl	REAL300000397149	1	33	-2.0	-102.86	318.14	5.95	-96.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C(Cl)C=C1Cl	REAL300000397150	0	33	-2.0	-97.74	331.20	6.51	-91.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1C	REAL300000397151	1	39	-2.0	-109.11	338.74	6.90	-102.21
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397152	0	33	-2.0	-104.09	311.10	5.62	-98.47
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1	REAL300000397153	1	39	-2.0	-93.16	349.21	7.14	-86.02
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397154	0	30	-2.0	-101.39	298.82	4.57	-96.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=NC=C21	REAL300000397155	1	36	-2.0	-107.34	321.07	6.34	-101.00
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1	REAL300000397156	1	37	-2.0	-92.74	336.71	5.83	-86.91
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1C(=O)[O-]	REAL300000397157	0	34	-2.0	-105.31	312.28	4.91	-100.40
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=NC=C21	REAL300000397158	1	37	-2.0	-108.00	329.41	4.40	-103.60
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397159	0	33	-2.0	-97.66	314.74	5.24	-92.42
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1C(=O)[O-]	REAL300000397160	1	39	-2.0	-109.84	341.08	6.98	-102.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CS1	REAL300000397161	0	30	-2.0	-102.78	297.28	4.59	-98.19
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC(C(=O)[O-])=C1OC	REAL300000397162	1	41	-2.0	-107.55	363.95	5.37	-102.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1C(=O)[O-]	REAL300000397163	1	37	-2.0	-112.83	332.91	5.63	-107.20
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397164	1	43	-2.0	-110.93	360.87	8.19	-102.74
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=NC=C21	REAL300000397165	1	42	-2.0	-109.30	359.53	7.57	-101.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=NC=C21	REAL300000397166	1	39	-2.0	-105.49	333.93	7.22	-98.27
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=NC=C21	REAL300000397167	0	40	-2.0	-112.80	356.06	6.13	-106.67
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=CC=NC=C32)=CC(C(=O)[O-])=C1	REAL300000397168	0	36	-2.0	-109.55	333.06	6.04	-103.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC(C(=O)[O-])=C1	REAL300000397168	1	35	-3.0	-183.60	334.03	6.12	-177.48
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397169	1	40	-2.0	-111.35	349.90	7.45	-103.90
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C(C(=O)[O-])O1	REAL300000397170	0	33	-2.0	-100.70	308.64	4.69	-96.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC2=C1OCCO2	REAL300000397171	1	39	-2.0	-111.75	347.80	5.33	-106.42
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397172	0	37	-2.0	-108.05	334.60	4.65	-103.40
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CC=NC=C43)C=C2C1	REAL300000397173	1	41	-2.0	-93.32	358.57	6.15	-87.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC(Cl)=C1Cl	REAL300000397174	0	33	-2.0	-96.60	333.31	6.41	-90.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C(Cl)C=C1F	REAL300000397175	0	33	-2.0	-98.83	323.23	6.16	-92.67
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1Cl	REAL300000397176	1	37	-2.0	-91.30	352.75	6.37	-84.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC=C1OCC(=O)[O-]	REAL300000397177	1	40	-2.0	-93.19	356.79	6.54	-86.65
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=NC=C21	REAL300000397178	0	36	-2.0	-98.11	326.34	6.37	-91.74
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1F	REAL300000397179	1	37	-2.0	-92.34	342.95	5.90	-86.44
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1C(=O)[O-]	REAL300000397180	1	40	-2.0	-113.56	354.77	6.53	-107.03
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C(C(=O)[O-])S1	REAL300000397181	0	33	-2.0	-103.78	315.33	5.44	-98.34
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397182	0	33	-2.0	-95.98	333.86	6.59	-89.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C(Cl)=C1	REAL300000397183	0	33	-2.0	-92.15	318.68	6.13	-86.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1F	REAL300000397184	0	33	-2.0	-94.23	310.16	5.60	-88.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)S1	REAL300000397185	0	30	-2.0	-96.47	297.90	4.69	-91.78
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397186	0	33	-2.0	-97.97	312.04	5.62	-92.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1F	REAL300000397187	0	36	-2.0	-105.44	331.38	6.25	-99.19
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C(Cl)C=C1C(=O)[O-]	REAL300000397188	0	37	-2.0	-96.76	345.94	6.19	-90.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C(F)=C1	REAL300000397189	0	33	-2.0	-94.19	311.09	5.63	-88.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1Cl	REAL300000397190	1	33	-2.0	-92.24	318.13	5.96	-86.28
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=NC=C21	REAL300000397191	0	36	-2.0	-99.68	335.08	6.76	-92.92
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1	REAL300000397192	0	41	-2.0	-90.77	369.38	6.97	-83.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC(F)=C1F	REAL300000397193	0	33	-2.0	-96.20	316.45	5.65	-90.55
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397194	0	35	-2.0	-92.24	333.82	6.23	-86.01
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397195	0	34	-2.0	-106.09	315.35	3.26	-102.83
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1	REAL300000397196	1	36	-2.0	-97.76	327.81	6.33	-91.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC(Cl)=C1F	REAL300000397197	1	33	-2.0	-97.54	326.33	6.09	-91.45
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CC=NC=C21	REAL300000397198	1	36	-2.0	-103.53	315.67	6.20	-97.33
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC(C(=O)[O-])=C1F	REAL300000397199	1	36	-2.0	-105.84	330.46	6.21	-99.63
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CC=NC=C21	REAL300000397200	1	36	-2.0	-94.70	321.05	6.34	-88.36
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC(C(=O)[O-])=C1C	REAL300000397201	1	39	-2.0	-110.07	338.51	6.63	-103.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC=C1[N+](=O)[O-]	REAL300000397202	0	35	-2.0	-105.48	332.19	6.64	-98.84
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397203	0	33	-2.0	-95.88	317.37	5.68	-90.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C(C)=C1C(=O)[O-]	REAL300000397204	1	39	-2.0	-108.02	339.17	6.97	-101.05
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1C(=O)[O-]	REAL300000397205	0	36	-2.0	-106.30	330.95	6.26	-100.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1Cl	REAL300000397206	0	36	-2.0	-103.87	337.41	6.71	-97.16
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397207	0	36	-2.0	-112.50	330.64	6.25	-106.25
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1C(=O)[O-]	REAL300000397208	1	39	-2.0	-108.86	339.87	6.74	-102.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1CC(=O)[O-]	REAL300000397209	1	40	-2.0	-109.88	356.10	5.68	-104.20
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=NC=C21	REAL300000397210	0	36	-2.0	-97.64	336.17	6.82	-90.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1C(F)(F)F	REAL300000397211	1	36	-2.0	-91.25	335.75	6.37	-84.88
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC(C(=O)[O-])=C1Cl	REAL300000397212	1	36	-2.0	-104.56	336.85	6.52	-98.04
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1C(=O)[O-]	REAL300000397213	0	37	-2.0	-106.60	333.66	5.77	-100.83
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C(C)=C1CC(=O)[O-]	REAL300000397214	1	45	-2.0	-107.83	370.78	8.43	-99.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C(F)C(Cl)=C1F	REAL300000397215	0	33	-2.0	-94.51	331.23	6.11	-88.40
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1C(=O)[O-]	REAL300000397216	1	36	-2.0	-100.41	335.50	6.52	-93.89
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C(C(=O)[O-])S1	REAL300000397217	0	42	-2.0	-103.06	355.06	7.69	-95.37
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1C(=O)[O-]	REAL300000397218	0	37	-2.0	-107.62	345.96	6.20	-101.42
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC=C1C(=O)[O-]	REAL300000397219	1	36	-2.0	-94.81	321.64	6.10	-88.71
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C([N+](=O)[O-])=C1	REAL300000397220	0	38	-2.0	-98.51	348.88	7.76	-90.75
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=NC=C21	REAL300000397221	1	36	-2.0	-105.02	325.17	6.39	-98.63
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1[N+](=O)[O-]	REAL300000397222	0	35	-2.0	-114.89	329.36	7.41	-107.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1F	REAL300000397223	0	33	-2.0	-111.72	309.27	5.58	-106.14
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C1C(=O)[O-]	REAL300000397224	0	36	-2.0	-98.74	326.81	6.13	-92.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=CC2=CC=CC=C21	REAL300000397225	0	39	-2.0	-115.21	346.67	7.68	-107.53
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C1	REAL300000397226	0	32	-2.0	-104.86	301.84	3.68	-101.18
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CC=NC=C21	REAL300000397227	0	37	-2.0	-98.63	333.83	5.35	-93.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)=C(Cl)O1	REAL300000397228	0	30	-2.0	-94.80	305.73	4.54	-90.26
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CC=NC=C43)C=C2)CC1	REAL300000397229	1	40	-2.0	-100.84	351.76	7.45	-93.39
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CC=NC=C43)C=C2C1	REAL300000397230	1	40	-2.0	-104.46	349.72	7.43	-97.03
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC=NC=C32)C=C(C(=O)[O-])O1	REAL300000397231	0	36	-2.0	-100.27	327.75	5.55	-94.72
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C)=N1	REAL300000397232	1	40	-2.0	-114.01	365.84	7.55	-106.46
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)=N1	REAL300000397233	1	40	-2.0	-104.40	361.30	7.51	-96.89
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)=N1	REAL300000397234	0	40	-2.0	-116.91	361.31	7.52	-109.39
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C)=N1	REAL300000397235	0	44	-2.0	-102.79	392.83	8.80	-93.99
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C)=N1	REAL300000397236	1	43	-2.0	-119.61	380.89	8.14	-111.47
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=N1	REAL300000397237	0	40	-2.0	-114.42	366.80	7.56	-106.86
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=N1	REAL300000397238	0	37	-2.0	-112.06	354.52	6.52	-105.54
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C)=N1	REAL300000397239	1	43	-2.0	-117.15	376.77	8.27	-108.88
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=N1	REAL300000397240	0	41	-2.0	-116.00	367.98	6.86	-109.14
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=N1	REAL300000397241	0	40	-2.0	-107.55	370.45	7.19	-100.36
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=N1	REAL300000397242	0	37	-2.0	-112.55	352.96	6.55	-106.00
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=N1	REAL300000397243	0	40	-2.0	-109.50	364.32	6.66	-102.84
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=N1	REAL300000397244	0	40	-2.0	-113.60	371.03	7.38	-106.22
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=N1	REAL300000397245	0	40	-2.0	-103.70	365.87	7.55	-96.15
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=N1	REAL300000397246	0	37	-2.0	-106.38	353.56	6.64	-99.74
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=N1	REAL300000397247	0	40	-2.0	-108.56	367.67	7.59	-100.97
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=N1	REAL300000397248	0	40	-2.0	-104.19	366.77	7.59	-96.60
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=N1	REAL300000397249	0	41	-2.0	-115.23	371.04	5.21	-110.02
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)=N1	REAL300000397250	0	43	-2.0	-107.42	383.55	8.29	-99.13
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C)=N1	REAL300000397251	1	43	-2.0	-113.58	370.97	8.13	-105.45
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C)=N1	REAL300000397252	1	43	-2.0	-104.02	376.73	8.27	-95.75
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=C(C)N=C2C)C=C1C(=O)[O-]	REAL300000397253	0	44	-2.0	-116.54	389.34	7.73	-108.81
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C)=N1	REAL300000397254	1	43	-2.0	-104.62	377.09	8.04	-96.58
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=N1	REAL300000397255	0	40	-2.0	-121.90	364.97	7.53	-114.37
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=N1	REAL300000397256	0	39	-2.0	-113.55	358.31	5.56	-107.99
CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=N1	REAL300000397257	0	37	-2.0	-104.91	361.44	6.49	-98.42
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=C(C)N=C2C)C=C(C(=O)[O-])O1	REAL300000397258	0	43	-2.0	-109.67	383.47	7.50	-102.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=CC=C1F	REAL300000397259	0	40	-2.0	-111.35	355.29	4.72	-106.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1	REAL300000397260	0	40	-2.0	-101.95	350.73	4.70	-97.25
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C1	REAL300000397261	0	40	-2.0	-115.74	350.75	4.69	-111.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCOC1	REAL300000397262	0	44	-2.0	-120.69	378.90	4.49	-116.20
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1	REAL300000397263	0	44	-2.0	-100.63	382.20	5.99	-94.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1C(=O)[O-]	REAL300000397264	0	43	-2.0	-116.09	367.16	5.25	-110.84
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C1	REAL300000397265	0	40	-2.0	-110.29	363.84	5.27	-105.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=CC=C1Cl	REAL300000397266	0	40	-2.0	-109.92	363.26	5.08	-104.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C1C	REAL300000397267	0	46	-2.0	-117.80	383.86	6.02	-111.78
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C1	REAL300000397268	0	40	-2.0	-112.52	356.23	4.75	-107.77
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1	REAL300000397269	0	46	-2.0	-100.09	394.32	6.28	-93.81
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C1	REAL300000397270	0	37	-2.0	-109.69	343.94	3.70	-105.99
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCOC1	REAL300000397271	0	43	-2.0	-115.76	366.19	5.47	-110.29
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1	REAL300000397272	0	44	-2.0	-99.45	381.82	4.98	-94.47
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1C(=O)[O-]	REAL300000397273	0	41	-2.0	-113.86	357.41	4.04	-109.82
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCOC1	REAL300000397274	0	44	-2.0	-115.85	374.96	3.50	-112.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C1	REAL300000397275	0	40	-2.0	-104.88	359.89	4.38	-100.50
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1C(=O)[O-]	REAL300000397276	0	46	-2.0	-117.18	381.95	6.00	-111.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=CS1	REAL300000397277	0	37	-2.0	-109.89	342.40	3.72	-106.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1C(=O)[O-]	REAL300000397278	0	44	-2.0	-120.08	378.04	4.76	-115.32
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCOC1	REAL300000397279	0	46	-2.0	-113.43	380.89	6.42	-107.01
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C(C(=O)[O-])O1	REAL300000397280	0	40	-2.0	-108.61	353.76	3.83	-104.78
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C1	REAL300000397281	0	44	-2.0	-115.98	379.68	3.78	-112.20
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCOC1	REAL300000397282	0	43	-2.0	-106.07	371.47	5.51	-100.56
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C(C(=O)[O-])S1	REAL300000397283	0	40	-2.0	-112.01	359.38	4.58	-107.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C(Cl)=C1	REAL300000397284	0	40	-2.0	-99.05	363.81	5.26	-93.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1F	REAL300000397285	0	40	-2.0	-101.06	355.27	4.73	-96.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)S1	REAL300000397286	0	37	-2.0	-103.62	343.01	3.82	-99.80
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C1	REAL300000397287	0	40	-2.0	-105.03	357.16	4.76	-100.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C1F	REAL300000397288	0	43	-2.0	-114.08	376.52	5.39	-108.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C(F)=C1	REAL300000397289	0	40	-2.0	-101.46	356.22	4.76	-96.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1Cl	REAL300000397290	0	40	-2.0	-99.31	363.24	5.09	-94.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=CC(F)=C1F	REAL300000397291	0	40	-2.0	-104.11	361.57	4.78	-99.33
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C1	REAL300000397292	0	41	-2.0	-114.27	360.48	2.40	-111.87
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1	REAL300000397293	0	43	-2.0	-105.23	372.92	5.48	-99.75
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCOC1	REAL300000397294	0	43	-2.0	-110.67	361.01	5.32	-105.35
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=CC(C(=O)[O-])=C1F	REAL300000397295	0	43	-2.0	-112.88	375.59	5.34	-107.54
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCOC1	REAL300000397296	0	43	-2.0	-101.85	366.18	5.46	-96.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=CC(C(=O)[O-])=C1C	REAL300000397297	0	46	-2.0	-119.16	383.65	5.76	-113.40
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C1	REAL300000397298	0	40	-2.0	-103.94	362.49	4.82	-99.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C(C)=C1C(=O)[O-]	REAL300000397299	0	46	-2.0	-114.88	385.06	6.09	-108.79
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1C(=O)[O-]	REAL300000397300	0	43	-2.0	-113.86	372.37	5.30	-108.56
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C1	REAL300000397301	0	43	-2.0	-119.83	375.79	5.38	-114.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1C(=O)[O-]	REAL300000397302	0	46	-2.0	-116.18	385.05	5.88	-110.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1C(=O)[O-]	REAL300000397303	0	44	-2.0	-115.22	378.78	4.90	-110.32
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=CC=C1C(=O)[O-]	REAL300000397304	0	43	-2.0	-103.78	370.33	5.32	-98.46
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCOC1	REAL300000397305	0	43	-2.0	-112.77	370.71	5.51	-107.26
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C1F	REAL300000397306	0	40	-2.0	-118.86	354.40	4.72	-114.14
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C1C(=O)[O-]	REAL300000397307	0	43	-2.0	-107.26	372.00	5.27	-101.99
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C1	REAL300000397308	0	39	-2.0	-112.48	346.96	2.80	-109.68
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CCOC1	REAL300000397309	0	44	-2.0	-106.24	378.96	4.49	-101.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)=C(Cl)O1	REAL300000397310	0	37	-2.0	-102.40	350.86	3.66	-98.74
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CCOC2)C=C(C(=O)[O-])O1	REAL300000397311	0	43	-2.0	-108.21	372.89	4.68	-103.53
CS(=O)(=O)CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000397312	1	37	-2.0	-99.56	355.62	3.39	-96.17
CS(=O)(=O)CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000397313	1	37	-2.0	-109.40	355.63	3.37	-106.03
CS(=O)(=O)CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000397314	0	34	-2.0	-104.48	348.82	2.38	-102.10
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2CS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000397315	0	38	-2.0	-107.92	362.28	2.72	-105.20
CS(=O)(=O)CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000397316	0	34	-2.0	-110.70	347.29	2.39	-108.31
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2CS(C)(=O)=O)C=C(C(=O)[O-])O1	REAL300000397317	0	37	-2.0	-103.24	358.12	2.51	-100.73
CS(=O)(=O)CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000397318	0	34	-2.0	-102.28	347.89	2.50	-99.78
CS(=O)(=O)CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000397319	0	36	-2.0	-112.37	351.84	1.49	-110.88
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(Br)=N1	REAL300000397325	1	31	-2.0	-94.05	316.44	1.43	-92.62
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(Br)=N1	REAL300000397327	1	30	-2.0	-97.05	309.65	0.41	-96.64
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000397328	1	37	-2.0	-108.45	355.99	3.25	-105.20
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000397329	1	37	-2.0	-116.37	356.00	3.23	-113.14
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000397330	0	34	-2.0	-110.93	349.19	2.27	-108.66
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CS(C)(=O)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000397331	0	38	-2.0	-115.01	362.64	2.59	-112.42
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000397332	0	34	-2.0	-113.82	347.66	2.27	-111.55
CC1=C(S(=O)(=O)[N-]C2=CC=C(CS(C)(=O)=O)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000397333	0	37	-2.0	-110.19	359.01	2.38	-107.81
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000397334	0	34	-2.0	-106.96	348.27	2.38	-104.58
CS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000397335	0	36	-2.0	-119.62	352.22	1.37	-118.25
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000397336	1	35	-2.0	-102.09	337.83	5.29	-96.80
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000397337	1	35	-2.0	-92.79	333.27	5.27	-87.52
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000397338	1	35	-2.0	-105.70	333.30	5.26	-100.44
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000397339	0	39	-2.0	-109.77	361.43	5.06	-104.71
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000397340	1	39	-2.0	-92.39	364.74	6.55	-85.84
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000397341	1	38	-2.0	-106.91	349.31	5.78	-101.13
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000397342	0	35	-2.0	-100.04	346.38	5.83	-94.21
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000397343	1	35	-2.0	-100.43	345.80	5.65	-94.78
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000397344	1	41	-2.0	-107.17	365.97	6.60	-100.57
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000397345	0	35	-2.0	-101.98	338.77	5.32	-96.66
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000397346	1	41	-2.0	-91.55	376.87	6.84	-84.71
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000397347	0	32	-2.0	-99.10	326.49	4.27	-94.83
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000397348	1	38	-2.0	-105.00	348.74	6.04	-98.96
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000397349	1	39	-2.0	-90.94	364.36	5.53	-85.41
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000397350	0	36	-2.0	-103.04	339.94	4.61	-98.43
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000397351	1	39	-2.0	-105.62	357.09	4.09	-101.53
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000397352	0	35	-2.0	-95.92	342.42	4.94	-90.98
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000397353	1	41	-2.0	-106.20	364.77	6.58	-99.62
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000397354	0	32	-2.0	-101.36	324.95	4.29	-97.07
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000397355	1	39	-2.0	-110.34	360.59	5.33	-105.01
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000397356	1	44	-2.0	-107.00	387.21	7.27	-99.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1COC	REAL300000397357	1	41	-2.0	-102.78	362.16	7.00	-95.78
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000397358	0	42	-2.0	-110.36	383.73	5.83	-104.53
COCC1=C(Cl)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000397359	0	38	-2.0	-105.28	360.96	5.75	-99.53
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000397359	1	37	-3.0	-180.64	361.70	5.82	-174.82
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000397360	1	42	-2.0	-110.57	377.54	7.15	-103.42
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000397361	0	35	-2.0	-99.52	336.30	4.39	-95.13
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000397362	0	39	-2.0	-106.11	362.29	4.35	-101.76
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000397363	1	42	-2.0	-91.48	384.46	6.24	-85.24
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000397364	0	38	-2.0	-95.90	354.02	6.07	-89.83
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2COC)C=C1C(=O)[O-]	REAL300000397365	1	42	-2.0	-112.28	382.45	6.23	-106.05
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000397366	0	35	-2.0	-101.55	343.00	5.14	-96.41
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000397367	0	35	-2.0	-90.27	346.35	5.82	-84.45
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000397368	1	35	-2.0	-92.43	337.81	5.30	-87.13
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000397369	0	32	-2.0	-94.66	325.57	4.39	-90.27
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000397370	0	35	-2.0	-95.68	339.70	5.32	-90.36
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000397371	0	38	-2.0	-104.03	359.04	5.95	-98.08
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000397372	0	35	-2.0	-92.15	338.76	5.33	-86.82
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000397373	1	35	-2.0	-90.46	345.78	5.66	-84.80
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000397374	1	35	-2.0	-94.78	344.12	5.35	-89.43
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000397375	0	36	-2.0	-103.76	343.03	2.97	-100.79
COCC1=C(Cl)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000397375	1	36	-2.0	-102.36	337.42	3.80	-98.56
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000397376	1	38	-2.0	-97.02	355.48	6.03	-90.99
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000397377	1	38	-2.0	-100.93	343.33	5.89	-95.04
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000397378	1	38	-2.0	-103.41	358.13	5.91	-97.50
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000397379	1	38	-2.0	-93.05	348.71	6.04	-87.01
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000397380	1	41	-2.0	-107.60	366.76	6.33	-101.27
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000397381	0	35	-2.0	-94.32	345.03	5.38	-88.94
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000397382	1	41	-2.0	-106.01	366.84	6.67	-99.34
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000397383	0	38	-2.0	-104.34	358.63	5.96	-98.38
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000397384	0	38	-2.0	-110.66	358.35	5.95	-104.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2COC)C=C1C(=O)[O-]	REAL300000397385	1	41	-2.0	-107.58	367.62	6.45	-101.13
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000397386	1	42	-2.0	-106.92	383.77	5.38	-101.54
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2COC)C=C1C(=O)[O-]	REAL300000397387	0	39	-2.0	-104.30	361.24	5.47	-98.83
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000397388	1	38	-2.0	-92.80	349.30	5.80	-87.00
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000397389	1	38	-2.0	-102.73	352.84	6.09	-96.64
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000397390	0	35	-2.0	-109.86	336.95	5.28	-104.58
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000397391	1	38	-2.0	-96.46	354.47	5.83	-90.63
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000397392	0	34	-2.0	-102.62	329.51	3.38	-99.24
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000397393	0	39	-2.0	-96.88	361.50	5.05	-91.83
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000397394	0	32	-2.0	-92.79	333.41	4.23	-88.56
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000397395	1	42	-2.0	-99.49	379.42	7.15	-92.34
COCC1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000397396	1	42	-2.0	-101.72	377.39	7.12	-94.60
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2COC)C=C(C(=O)[O-])O1	REAL300000397397	0	38	-2.0	-97.93	355.43	5.24	-92.69
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1	REAL300000397398	1	42	-2.0	-92.49	380.05	3.96	-88.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=CC=C1F	REAL300000397399	1	35	-2.0	-109.21	328.14	5.41	-103.80
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCF)=C1	REAL300000397400	0	43	-2.0	-109.36	383.22	6.46	-102.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1	REAL300000397401	1	35	-2.0	-99.02	323.58	5.38	-93.64
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397402	1	35	-2.0	-111.28	323.60	5.37	-105.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCF)=C1	REAL300000397403	0	39	-2.0	-116.21	351.74	5.17	-111.04
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1	REAL300000397404	1	39	-2.0	-98.54	355.05	6.67	-91.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1C(=O)[O-]	REAL300000397405	1	38	-2.0	-113.01	339.62	5.91	-107.10
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397406	0	35	-2.0	-106.35	336.67	5.95	-100.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=CC=C1Cl	REAL300000397407	1	35	-2.0	-107.59	336.11	5.77	-101.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1C	REAL300000397408	1	41	-2.0	-113.33	355.99	6.69	-106.64
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397409	0	35	-2.0	-108.13	329.07	5.44	-102.69
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1	REAL300000397410	1	41	-2.0	-97.62	367.16	6.97	-90.65
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397411	0	32	-2.0	-105.62	316.78	4.39	-101.23
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCF)=C1	REAL300000397412	1	38	-2.0	-111.51	339.03	6.16	-105.35
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1	REAL300000397413	1	39	-2.0	-97.19	354.68	5.65	-91.54
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1C(=O)[O-]	REAL300000397414	0	36	-2.0	-109.72	330.25	4.73	-104.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397416	0	35	-2.0	-101.99	332.71	5.06	-96.93
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1C(=O)[O-]	REAL300000397417	1	41	-2.0	-112.75	355.06	6.70	-106.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=CS1	REAL300000397418	0	32	-2.0	-106.97	315.25	4.41	-102.56
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=CC(C(=O)[O-])=C1OC	REAL300000397419	1	43	-2.0	-112.32	381.91	5.19	-107.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1C(=O)[O-]	REAL300000397420	1	39	-2.0	-117.15	350.88	5.44	-111.71
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397421	1	45	-2.0	-115.38	378.85	7.99	-107.39
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCF)=C1	REAL300000397422	1	44	-2.0	-113.63	377.50	7.38	-106.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCF)=C1	REAL300000397423	1	41	-2.0	-109.64	353.74	7.09	-102.55
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCF)=C1	REAL300000397424	0	42	-2.0	-117.41	374.03	5.94	-111.47
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(OCCF)=C2)=C1	REAL300000397425	0	38	-2.0	-113.49	358.71	5.80	-107.69
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397425	1	37	-3.0	-187.28	352.00	5.94	-181.34
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397426	1	42	-2.0	-115.73	367.84	7.27	-108.46
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C(C(=O)[O-])O1	REAL300000397427	0	35	-2.0	-104.73	326.61	4.52	-100.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=CC2=C1OCCO2	REAL300000397428	1	41	-2.0	-116.12	365.78	5.15	-110.97
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397429	0	39	-2.0	-113.03	352.58	4.46	-108.57
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(OCCF)=C3)C=C2C1	REAL300000397430	1	43	-2.0	-98.76	377.23	5.99	-92.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C(Cl)C=C1F	REAL300000397431	0	35	-2.0	-103.00	341.19	5.96	-97.04
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=CC=C1OCC(=O)[O-]	REAL300000397432	1	42	-2.0	-97.62	374.76	6.36	-91.26
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCF)=C1	REAL300000397433	1	38	-2.0	-102.15	344.32	6.20	-95.95
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1F	REAL300000397434	1	39	-2.0	-96.58	360.89	5.72	-90.86
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1C(=O)[O-]	REAL300000397435	1	42	-2.0	-118.41	372.73	6.35	-112.06
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C(C(=O)[O-])S1	REAL300000397436	0	35	-2.0	-107.98	332.20	5.27	-102.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C(Cl)=C1	REAL300000397437	0	35	-2.0	-96.53	336.65	5.94	-90.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1F	REAL300000397438	1	35	-2.0	-98.44	328.11	5.42	-93.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)S1	REAL300000397439	0	32	-2.0	-100.77	315.87	4.51	-96.26
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397440	1	35	-2.0	-102.07	330.01	5.44	-96.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1F	REAL300000397441	0	38	-2.0	-109.52	349.35	6.08	-103.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C(F)=C1	REAL300000397442	0	35	-2.0	-98.63	329.06	5.45	-93.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1Cl	REAL300000397443	1	35	-2.0	-96.53	336.08	5.78	-90.75
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCF)=C1	REAL300000397444	1	38	-2.0	-103.82	353.04	6.58	-97.24
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1	REAL300000397445	1	43	-2.0	-95.22	387.34	6.79	-88.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=CC(F)=C1F	REAL300000397446	1	35	-2.0	-100.66	334.42	5.47	-95.19
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397447	0	37	-2.0	-96.26	351.79	6.05	-90.21
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397448	0	36	-2.0	-110.11	333.31	3.09	-107.02
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(OCCF)=C2)=C1	REAL300000397448	1	36	-2.0	-108.00	332.51	3.88	-104.12
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1	REAL300000397449	1	38	-2.0	-102.16	345.76	6.16	-96.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=CC(Cl)=C1F	REAL300000397450	1	35	-2.0	-102.13	344.30	5.91	-96.22
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCCF)=C1	REAL300000397451	1	38	-2.0	-108.50	333.67	6.01	-102.49
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=CC(C(=O)[O-])=C1F	REAL300000397452	1	38	-2.0	-110.03	348.43	6.03	-104.00
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCCF)=C1	REAL300000397453	1	38	-2.0	-99.08	339.01	6.15	-92.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=CC(C(=O)[O-])=C1C	REAL300000397454	1	41	-2.0	-116.39	360.40	6.54	-109.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=CC=C1[N+](=O)[O-]	REAL300000397455	0	37	-2.0	-109.54	350.15	6.47	-103.07
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397456	0	35	-2.0	-99.90	335.35	5.50	-94.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C(C)=C1C(=O)[O-]	REAL300000397457	1	41	-2.0	-112.77	358.07	6.76	-106.01
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1C(=O)[O-]	REAL300000397458	0	38	-2.0	-109.29	345.07	5.98	-103.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1Cl	REAL300000397459	0	38	-2.0	-108.12	355.36	6.51	-101.61
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397460	0	38	-2.0	-117.45	348.63	6.07	-111.38
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1C(=O)[O-]	REAL300000397461	1	41	-2.0	-113.16	357.53	6.56	-106.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1CC(=O)[O-]	REAL300000397462	1	42	-2.0	-112.85	374.06	5.51	-107.34
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(OCCF)=C1	REAL300000397463	1	38	-2.0	-101.49	350.38	6.52	-94.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000397464	1	38	-2.0	-108.86	354.82	6.33	-102.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1C(=O)[O-]	REAL300000397465	0	39	-2.0	-111.45	351.73	5.59	-105.86
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1C(=O)[O-]	REAL300000397467	1	38	-2.0	-106.33	357.34	6.44	-99.89
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=CC=C1C(=O)[O-]	REAL300000397468	1	38	-2.0	-99.22	339.60	5.92	-93.30
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C([N+](=O)[O-])=C1	REAL300000397469	0	40	-2.0	-105.09	366.86	7.57	-97.52
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCCF)=C1	REAL300000397470	1	38	-2.0	-108.77	343.55	6.20	-102.57
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1[N+](=O)[O-]	REAL300000397471	0	37	-2.0	-119.92	347.34	7.23	-112.69
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1F	REAL300000397472	0	35	-2.0	-116.72	327.21	5.40	-111.32
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C1C(=O)[O-]	REAL300000397473	1	38	-2.0	-104.45	348.53	6.05	-98.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=CC2=CC=CC=C21	REAL300000397474	1	41	-2.0	-120.34	364.64	7.50	-112.84
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C1	REAL300000397475	0	34	-2.0	-109.06	319.82	3.50	-105.56
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCCF)=C1	REAL300000397476	0	39	-2.0	-103.25	351.80	5.17	-98.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)=C(Cl)O1	REAL300000397477	0	32	-2.0	-98.78	323.75	4.36	-94.42
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(OCCF)=C3)C=C2)CC1	REAL300000397478	1	42	-2.0	-105.19	369.72	7.26	-97.93
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(OCCF)=C3)C=C2C1	REAL300000397479	1	42	-2.0	-109.87	369.04	7.26	-102.61
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OCCF)=C2)C=C(C(=O)[O-])O1	REAL300000397480	0	38	-2.0	-104.39	345.73	5.37	-99.02
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1C(F)(F)F	REAL300000397483	0	31	-2.0	-110.74	303.90	6.09	-104.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1C(F)(F)F	REAL300000397484	0	30	-2.0	-94.96	307.28	4.43	-90.53
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397485	1	32	-2.0	-101.11	316.24	6.19	-94.92
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1	REAL300000397486	1	32	-2.0	-97.14	316.22	6.19	-90.95
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1C(F)(F)F	REAL300000397487	0	31	-2.0	-100.36	317.63	6.38	-93.98
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397488	0	32	-2.0	-111.13	313.50	6.09	-105.04
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397489	0	34	-2.0	-99.07	311.61	3.64	-95.43
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1	REAL300000397491	0	34	-2.0	-102.52	326.34	6.36	-96.16
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397493	0	33	-2.0	-94.30	308.58	4.76	-89.54
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397494	0	34	-2.0	-98.09	326.38	6.35	-91.74
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397494	1	33	-3.0	-169.33	323.86	6.36	-162.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1C(F)(F)F	REAL300000397495	1	31	-2.0	-94.66	308.12	5.92	-88.74
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397496	1	34	-2.0	-104.36	316.82	6.46	-97.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1C(F)(F)F	REAL300000397498	1	31	-2.0	-100.43	312.13	6.32	-94.11
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1	REAL300000397499	1	36	-2.0	-102.57	335.87	6.19	-96.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1C(F)(F)F	REAL300000397502	1	31	-2.0	-94.83	318.00	6.37	-88.46
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397503	1	36	-2.0	-113.19	336.66	6.20	-106.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1C(F)(F)F	REAL300000397506	0	28	-2.0	-96.50	304.37	5.42	-91.08
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397508	0	35	-2.0	-110.28	323.66	5.59	-104.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1C(F)(F)F	REAL300000397509	0	31	-2.0	-98.44	313.46	5.99	-92.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1C(F)(F)F	REAL300000397510	0	31	-2.0	-105.05	308.53	6.36	-98.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1C(F)(F)F	REAL300000397511	1	33	-2.0	-101.22	323.62	6.47	-94.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1C(F)(F)F	REAL300000397512	0	28	-2.0	-101.94	287.33	4.80	-97.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1C(F)(F)F	REAL300000397514	0	33	-2.0	-115.14	316.49	7.22	-107.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1C(F)(F)F	REAL300000397517	0	31	-2.0	-99.69	307.31	5.93	-93.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1C(F)(F)F	REAL300000397518	1	31	-2.0	-100.57	301.80	5.87	-94.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1C(F)(F)F	REAL300000397519	1	31	-2.0	-94.89	308.21	5.93	-88.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1C(F)(F)F	REAL300000397521	1	31	-2.0	-97.68	312.13	6.32	-91.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1C(F)(F)F	REAL300000397522	0	33	-2.0	-93.17	323.63	6.47	-86.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1C(F)(F)F	REAL300000397523	1	31	-2.0	-103.77	295.39	5.80	-97.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)S1	REAL300000397524	0	31	-2.0	-102.77	309.22	5.60	-97.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1C(F)(F)F	REAL300000397525	0	31	-2.0	-102.83	307.30	5.93	-96.90
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1	REAL300000397526	1	35	-2.0	-101.58	335.61	6.82	-94.76
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397527	0	30	-3.0	-162.48	317.05	5.38	-157.10
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397529	0	37	-2.0	-102.25	333.01	4.88	-97.37
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1	REAL300000397530	1	35	-2.0	-103.25	329.91	2.58	-100.67
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1C(F)(F)F	REAL300000397532	1	37	-2.0	-106.14	341.34	8.09	-98.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1C(F)(F)F	REAL300000397534	0	31	-2.0	-107.66	300.90	5.86	-101.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(Cl)=C1	REAL300000397535	0	34	-2.0	-104.82	329.94	7.03	-97.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1C(F)(F)F	REAL300000397537	0	31	-2.0	-97.66	314.93	6.43	-91.23
CN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000397538	0	35	-2.0	-98.95	333.00	5.69	-93.26
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000397538	1	34	-3.0	-167.09	330.51	5.71	-161.38
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1Cl	REAL300000397539	0	31	-2.0	-110.38	313.90	5.32	-105.06
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1C(N)=O	REAL300000397540	0	36	-2.0	-102.08	337.40	1.97	-100.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1F	REAL300000397541	1	35	-2.0	-100.21	331.13	5.17	-95.04
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000397543	0	31	-2.0	-100.93	299.94	3.51	-97.42
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397545	1	34	-2.0	-100.72	327.61	7.10	-93.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1Cl	REAL300000397546	1	34	-2.0	-101.11	330.87	6.90	-94.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1C(F)(F)F	REAL300000397547	0	31	-2.0	-104.63	317.07	6.36	-98.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1F	REAL300000397548	1	34	-2.0	-100.96	322.13	6.51	-94.45
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397549	1	34	-2.0	-97.89	327.61	7.09	-90.80
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397550	0	34	-2.0	-107.77	322.31	6.53	-101.24
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397551	1	34	-2.0	-100.91	317.28	6.65	-94.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CS1	REAL300000397552	0	30	-3.0	-164.45	315.51	5.41	-159.04
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CS1	REAL300000397552	1	31	-2.0	-97.94	318.00	5.38	-92.56
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397554	0	35	-2.0	-106.38	326.59	4.16	-102.22
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397554	1	35	-2.0	-93.18	325.71	5.01	-88.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1C(F)(F)F	REAL300000397555	0	28	-2.0	-98.67	276.98	2.20	-96.47
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1C(F)(F)F	REAL300000397556	0	31	-2.0	-101.07	310.31	6.15	-94.92
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000397557	0	33	-3.0	-161.37	326.87	5.50	-155.87
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000397557	1	34	-2.0	-97.02	313.44	4.73	-92.29
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1C(F)(F)F	REAL300000397558	0	34	-2.0	-123.08	323.59	5.01	-118.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1C(F)(F)F	REAL300000397559	0	30	-2.0	-95.00	296.80	4.08	-90.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)C=C1C(F)(F)F	REAL300000397560	1	36	-2.0	-104.89	331.56	6.23	-98.66
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397561	0	31	-2.0	-111.50	299.58	4.90	-106.60
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000397562	0	31	-2.0	-94.06	311.36	4.32	-89.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1C(F)(F)F	REAL300000397563	0	31	-2.0	-105.49	307.18	5.92	-99.57
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CN1C	REAL300000397564	0	34	-2.0	-112.05	318.93	4.69	-107.36
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000397565	0	34	-2.0	-101.17	321.48	4.36	-96.81
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397566	1	38	-2.0	-105.49	350.46	5.52	-99.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1C(F)(F)F	REAL300000397567	1	36	-2.0	-102.10	331.37	5.10	-97.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1C(F)(F)F	REAL300000397568	0	31	-2.0	-100.60	314.93	6.43	-94.17
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397570	0	31	-2.0	-99.21	295.81	2.85	-96.36
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397571	1	35	-2.0	-105.43	324.90	5.10	-100.33
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300000397574	0	31	-2.0	-108.52	300.24	3.34	-105.18
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397575	0	31	-2.0	-95.71	295.64	3.44	-92.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(F)=C1	REAL300000397581	0	34	-2.0	-107.25	322.31	6.54	-100.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1C(F)(F)F	REAL300000397583	0	28	-2.0	-109.26	276.70	3.19	-106.07
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)O1	REAL300000397584	0	34	-2.0	-97.50	334.94	4.60	-92.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1C(F)(F)F	REAL300000397585	0	36	-2.0	-118.94	335.35	6.43	-112.51
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1C(F)(F)F	REAL300000397586	0	31	-2.0	-95.38	313.60	5.98	-89.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CN=C1Cl	REAL300000397587	0	33	-2.0	-95.47	326.05	5.03	-90.44
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)SC=C1	REAL300000397589	0	31	-2.0	-104.34	306.13	5.44	-98.90
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1C	REAL300000397590	0	40	-2.0	-102.36	354.83	5.74	-96.62
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397593	1	35	-2.0	-101.14	331.66	6.97	-94.17
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397594	1	35	-2.0	-97.20	331.64	6.96	-90.24
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(F)=C1	REAL300000397596	0	32	-2.0	-99.83	321.70	6.25	-93.58
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000397597	0	37	-2.0	-101.01	340.17	4.89	-96.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1C(F)(F)F	REAL300000397599	1	36	-2.0	-104.13	336.37	6.20	-97.93
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CN1	REAL300000397600	0	37	-2.0	-109.28	339.20	4.26	-105.02
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1C(F)(F)F	REAL300000397603	1	31	-2.0	-89.79	314.39	5.98	-83.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)S1	REAL300000397606	0	30	-3.0	-156.91	316.13	5.49	-151.42
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397607	0	40	-2.0	-111.48	360.11	7.06	-104.42
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CN1	REAL300000397608	0	35	-2.0	-104.18	338.80	4.15	-100.03
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397609	1	34	-2.0	-100.42	315.78	6.63	-93.79
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)S1	REAL300000397610	0	33	-2.0	-99.84	319.67	4.40	-95.44
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1	REAL300000397611	1	35	-2.0	-109.22	337.65	6.97	-102.25
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397612	1	37	-2.0	-104.63	338.29	7.23	-97.40
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397613	1	34	-2.0	-100.49	323.21	6.53	-93.96
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C(F)C=C1F	REAL300000397615	0	34	-2.0	-99.72	327.61	6.56	-93.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1C(F)(F)F	REAL300000397616	1	37	-2.0	-111.38	336.45	8.12	-103.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1C(F)(F)F	REAL300000397617	1	41	-2.0	-107.25	350.70	8.43	-98.82
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)SC=C1	REAL300000397619	0	32	-2.0	-111.25	317.57	4.10	-107.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1C(F)(F)F	REAL300000397620	0	34	-2.0	-104.77	325.16	6.19	-98.58
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397621	0	31	-2.0	-93.92	311.43	4.72	-89.20
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)N=C1Cl	REAL300000397622	0	31	-2.0	-107.15	315.75	4.62	-102.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1C(F)(F)F	REAL300000397623	0	32	-2.0	-107.84	311.23	4.54	-103.30
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397624	0	32	-2.0	-95.26	317.62	3.64	-91.62
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)S1	REAL300000397625	0	30	-2.0	-99.62	303.93	3.64	-95.98
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1F	REAL300000397627	0	34	-2.0	-102.64	327.61	6.57	-96.07
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397629	0	37	-2.0	-110.58	341.00	6.19	-104.39
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000397630	0	38	-2.0	-99.58	355.15	3.41	-96.17
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1C#N	REAL300000397632	0	35	-2.0	-111.83	332.65	6.60	-105.23
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397633	0	37	-2.0	-110.77	342.89	6.56	-104.21
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1F	REAL300000397634	0	34	-2.0	-108.49	321.22	6.51	-101.98
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000397635	1	37	-2.0	-97.21	344.45	3.42	-93.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1C(F)(F)F	REAL300000397636	0	38	-2.0	-113.22	341.35	5.83	-107.39
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1	REAL300000397637	1	38	-2.0	-103.69	350.47	5.53	-98.16
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397638	0	36	-2.0	-107.20	334.67	2.78	-104.42
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1Cl	REAL300000397639	0	34	-2.0	-105.86	327.27	6.94	-98.92
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C(C)O1	REAL300000397641	0	34	-2.0	-101.55	318.38	5.38	-96.17
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397642	1	38	-2.0	-102.49	341.99	5.84	-96.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)O1	REAL300000397643	0	31	-2.0	-102.45	300.00	4.62	-97.83
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397644	0	34	-2.0	-103.55	328.36	6.18	-97.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1C(F)(F)F	REAL300000397645	1	34	-2.0	-100.48	321.44	4.46	-96.02
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1C(F)(F)F	REAL300000397646	1	31	-2.0	-95.25	318.55	6.39	-88.86
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1C(F)(F)F	REAL300000397647	0	30	-2.0	-95.19	307.15	4.50	-90.69
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)N=C1C	REAL300000397648	0	37	-2.0	-111.95	340.94	5.60	-106.35
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397649	0	34	-2.0	-105.34	329.94	7.03	-98.31
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397650	0	34	-2.0	-101.67	335.28	4.54	-97.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1C(F)(F)F	REAL300000397651	0	31	-2.0	-107.95	311.45	6.59	-101.36
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(Cl)=N1	REAL300000397652	0	33	-2.0	-102.84	325.30	5.12	-97.72
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)S1	REAL300000397653	0	33	-2.0	-99.27	325.41	4.38	-94.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1C(F)(F)F	REAL300000397654	0	34	-2.0	-111.56	323.33	6.12	-105.44
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397658	0	31	-2.0	-97.05	324.37	6.02	-91.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1C(F)(F)F	REAL300000397659	1	34	-2.0	-103.38	327.58	6.67	-96.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1C(F)(F)F	REAL300000397660	0	34	-2.0	-100.40	334.47	4.65	-95.75
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397661	1	35	-2.0	-110.21	331.48	6.87	-103.34
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397662	1	40	-2.0	-106.49	349.41	7.80	-98.69
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CC=C1F	REAL300000397663	1	35	-2.0	-96.89	331.13	5.17	-91.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1C(F)(F)F	REAL300000397664	0	30	-2.0	-109.57	308.09	6.20	-103.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1C(F)(F)F	REAL300000397665	0	28	-2.0	-101.57	278.08	3.80	-97.77
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397666	0	30	-2.0	-91.29	289.86	2.21	-89.08
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1C(F)(F)F	REAL300000397667	0	30	-2.0	-95.24	316.56	5.57	-89.67
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1C(F)(F)F	REAL300000397668	0	35	-2.0	-104.77	323.38	5.23	-99.54
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397669	1	37	-2.0	-103.05	325.64	7.52	-95.53
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397671	0	34	-2.0	-108.04	315.00	6.77	-101.27
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397673	0	34	-2.0	-100.31	319.99	3.28	-97.03
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397676	1	35	-2.0	-107.53	328.24	7.06	-100.47
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397677	1	35	-2.0	-109.15	337.65	6.96	-102.19
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(N)=NO1	REAL300000397679	0	32	-2.0	-93.98	301.83	3.20	-90.78
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397680	1	38	-2.0	-105.80	340.36	5.88	-99.92
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)S1	REAL300000397682	0	29	-2.0	-95.10	307.90	5.35	-89.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000397683	0	33	-2.0	-100.81	312.00	4.63	-96.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1C(F)(F)F	REAL300000397684	0	36	-2.0	-103.22	336.59	6.17	-97.05
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CC=C1C#N	REAL300000397685	1	35	-2.0	-96.81	335.36	6.69	-90.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1C(F)(F)F	REAL300000397686	0	30	-2.0	-90.34	313.13	4.49	-85.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(F)=C1	REAL300000397688	0	35	-2.0	-104.87	330.38	5.16	-99.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1C(F)(F)F	REAL300000397690	1	34	-2.0	-101.96	329.58	6.73	-95.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)N(C)N=C1	REAL300000397692	0	34	-2.0	-96.48	312.28	4.27	-92.21
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)O1	REAL300000397693	0	29	-2.0	-95.64	299.32	4.35	-91.29
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1C(F)(F)F	REAL300000397694	0	28	-2.0	-100.15	286.50	4.70	-95.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1C(F)(F)F	REAL300000397695	0	28	-2.0	-100.56	277.93	3.69	-96.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000397696	1	34	-2.0	-97.36	322.59	2.49	-94.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1C(F)(F)F	REAL300000397697	0	31	-2.0	-102.81	317.63	6.38	-96.43
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397698	1	42	-2.0	-104.32	372.94	6.93	-97.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1C(F)(F)F	REAL300000397699	0	34	-2.0	-107.78	322.00	4.44	-103.34
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397700	1	38	-2.0	-105.55	346.75	6.02	-99.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1C(F)(F)F	REAL300000397702	0	28	-2.0	-102.73	303.38	5.26	-97.47
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397703	0	31	-2.0	-101.82	308.96	5.46	-96.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1C(F)(F)F	REAL300000397704	0	28	-2.0	-99.64	293.68	2.61	-97.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1C(F)(F)F	REAL300000397705	0	30	-2.0	-98.00	302.31	3.91	-94.09
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397706	0	30	-2.0	-96.30	303.89	4.09	-92.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1C(F)(F)F	REAL300000397710	0	28	-2.0	-104.96	293.68	4.85	-100.11
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1F	REAL300000397711	1	32	-2.0	-94.48	322.11	6.23	-88.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1C(F)(F)F	REAL300000397714	0	28	-2.0	-103.61	277.02	2.38	-101.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1C(F)(F)F	REAL300000397715	0	36	-2.0	-108.33	332.39	2.71	-105.62
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)S1	REAL300000397716	0	34	-2.0	-104.93	326.84	6.34	-98.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1C(F)(F)F	REAL300000397717	0	32	-2.0	-93.31	318.79	4.66	-88.65
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397718	0	33	-2.0	-94.82	322.95	5.18	-89.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=NN1C	REAL300000397722	0	34	-2.0	-102.07	316.06	4.03	-98.04
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1	REAL300000397723	1	35	-2.0	-103.81	326.49	6.89	-96.92
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397724	0	34	-2.0	-101.80	318.78	4.16	-97.64
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397725	0	31	-2.0	-95.04	311.27	4.40	-90.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1C(F)(F)F	REAL300000397728	1	36	-2.0	-105.83	331.21	5.64	-100.19
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397730	0	34	-2.0	-105.04	322.52	7.31	-97.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1C(F)(F)F	REAL300000397731	0	36	-2.0	-112.69	331.70	5.63	-107.06
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(F)=C1	REAL300000397735	0	34	-2.0	-109.69	325.31	6.76	-102.93
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397737	0	35	-2.0	-106.88	330.06	5.65	-101.23
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397738	0	30	-2.0	-94.52	294.16	3.72	-90.80
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CC=C1Cl	REAL300000397739	1	34	-2.0	-98.37	330.88	6.90	-91.47
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1C(F)(F)F	REAL300000397740	1	37	-2.0	-112.00	343.49	6.78	-105.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1C(F)(F)F	REAL300000397742	0	30	-2.0	-105.22	295.88	3.98	-101.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1C(F)(F)F	REAL300000397745	0	30	-2.0	-94.23	296.83	3.95	-90.28
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=CS1	REAL300000397747	0	29	-2.0	-106.64	305.80	5.20	-101.44
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1C(F)(F)F	REAL300000397750	1	31	-2.0	-95.15	318.01	6.37	-88.78
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)N1C	REAL300000397757	0	34	-2.0	-100.58	314.55	4.84	-95.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1C(F)(F)F	REAL300000397759	0	34	-2.0	-99.98	335.15	5.30	-94.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1C(F)(F)F	REAL300000397760	0	30	-2.0	-98.54	312.77	4.40	-94.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(F)=C1F	REAL300000397761	0	34	-2.0	-105.43	327.52	6.57	-98.86
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)OC=C1	REAL300000397762	0	34	-2.0	-109.68	327.53	5.26	-104.42
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300000397763	0	33	-2.0	-116.00	323.76	4.70	-111.30
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397764	0	32	-3.0	-166.71	320.09	4.49	-162.22
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397765	0	35	-2.0	-103.43	328.12	5.95	-97.48
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397766	1	32	-2.0	-95.33	322.64	6.26	-89.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1C(F)(F)F	REAL300000397767	0	33	-2.0	-114.45	318.56	4.99	-109.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1C(F)(F)F	REAL300000397767	1	33	-2.0	-101.92	318.67	4.85	-97.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1C(F)(F)F	REAL300000397768	0	35	-2.0	-110.13	329.14	5.77	-104.36
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1C(F)(F)F	REAL300000397770	0	32	-2.0	-94.28	300.60	4.45	-89.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1C(F)(F)F	REAL300000397770	1	32	-2.0	-102.27	311.58	3.56	-98.71
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397772	0	34	-2.0	-115.79	326.41	3.47	-112.32
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397773	0	37	-2.0	-101.92	338.25	4.96	-96.96
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000397774	0	31	-2.0	-96.56	300.61	3.16	-93.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(C#N)=C1	REAL300000397775	0	35	-2.0	-109.93	334.90	6.76	-103.17
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397776	0	35	-2.0	-110.41	326.98	7.02	-103.39
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1	REAL300000397777	1	38	-2.0	-107.12	359.15	7.76	-99.36
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397778	0	31	-2.0	-93.70	314.64	1.59	-92.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1C(F)(F)F	REAL300000397780	0	27	-2.0	-96.31	282.14	3.50	-92.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C(C(N)=O)O1	REAL300000397782	0	35	-2.0	-102.32	334.94	1.41	-100.91
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397783	1	40	-2.0	-103.71	347.12	8.32	-95.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1C(F)(F)F	REAL300000397785	1	36	-2.0	-111.70	331.64	6.32	-105.38
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1F	REAL300000397786	0	32	-2.0	-105.86	321.22	6.22	-99.64
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)N=N1	REAL300000397787	0	30	-2.0	-104.85	294.19	2.13	-102.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1C(F)(F)F	REAL300000397788	0	38	-2.0	-101.09	345.29	5.48	-95.61
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1C(F)(F)F	REAL300000397789	0	38	-2.0	-97.93	340.61	5.79	-92.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1C(F)(F)F	REAL300000397790	0	38	-2.0	-102.60	338.31	5.86	-96.74
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397791	1	34	-2.0	-99.73	318.44	6.51	-93.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1C(F)(F)F	REAL300000397792	0	28	-2.0	-101.17	300.83	5.23	-95.94
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397793	0	33	-2.0	-91.62	309.32	3.12	-88.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1C(F)(F)F	REAL300000397795	1	32	-2.0	-93.22	310.27	4.59	-88.63
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397796	0	38	-2.0	-96.63	346.33	5.58	-91.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1C(F)(F)F	REAL300000397797	0	34	-2.0	-105.13	325.17	6.09	-99.04
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(C2CC2)=N1	REAL300000397798	0	38	-2.0	-104.12	350.70	5.74	-98.38
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)=C21	REAL300000397799	0	38	-2.0	-104.65	336.33	7.72	-96.93
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CN=C1N	REAL300000397800	1	35	-2.0	-102.86	323.42	3.51	-99.35
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397801	0	31	-2.0	-100.68	312.69	1.66	-99.02
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)N=CN1	REAL300000397802	0	31	-2.0	-111.29	295.78	3.82	-107.47
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1C(F)(F)F	REAL300000397804	0	28	-2.0	-100.67	301.23	5.34	-95.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1C(F)(F)F	REAL300000397805	0	35	-2.0	-106.52	332.14	6.99	-99.53
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397806	1	40	-2.0	-104.72	359.79	8.01	-96.71
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397807	0	32	-2.0	-105.89	319.90	6.16	-99.73
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397808	0	38	-2.0	-100.57	341.08	5.33	-95.24
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397811	0	40	-2.0	-95.93	342.38	5.71	-90.22
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000397812	0	40	-2.0	-101.75	359.89	5.52	-96.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1C(F)(F)F	REAL300000397813	0	38	-2.0	-101.61	343.94	4.90	-96.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1C(F)(F)F	REAL300000397814	1	34	-2.0	-103.43	323.39	6.62	-96.81
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397815	0	34	-2.0	-96.43	317.57	4.02	-92.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1C(F)(F)F	REAL300000397818	1	34	-2.0	-104.04	317.32	6.95	-97.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1C(F)(F)F	REAL300000397819	1	38	-2.0	-104.66	344.63	7.91	-96.75
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=CS1	REAL300000397820	0	32	-2.0	-106.89	317.64	4.25	-102.64
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397821	0	40	-2.0	-97.50	355.35	5.70	-91.80
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)O1	REAL300000397823	0	34	-2.0	-102.39	321.48	5.40	-96.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)S1	REAL300000397824	0	32	-2.0	-100.18	319.18	4.25	-95.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1C(F)(F)F	REAL300000397825	0	34	-2.0	-98.95	328.07	4.50	-94.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1C(F)(F)F	REAL300000397826	1	34	-2.0	-105.99	317.03	6.73	-99.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1C(F)(F)F	REAL300000397827	0	34	-2.0	-107.31	322.38	6.16	-101.15
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300000397828	0	33	-2.0	-101.04	316.25	2.65	-98.39
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1Cl	REAL300000397829	0	34	-2.0	-98.98	337.09	4.74	-94.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1C(F)(F)F	REAL300000397830	0	28	-2.0	-96.83	295.14	4.42	-92.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1C(F)(F)F	REAL300000397832	0	35	-2.0	-103.16	339.22	7.11	-96.05
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397833	0	31	-2.0	-101.74	299.98	4.47	-97.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1C(F)(F)F	REAL300000397834	0	30	-2.0	-90.10	313.02	4.44	-85.66
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397835	0	37	-2.0	-100.96	339.80	5.74	-95.22
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)=CC=C21	REAL300000397836	1	38	-2.0	-109.52	349.10	7.56	-101.96
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1Cl	REAL300000397837	0	31	-2.0	-98.71	315.28	3.86	-94.85
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)OC=C1	REAL300000397838	0	29	-2.0	-103.72	297.24	4.27	-99.45
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397839	0	33	-2.0	-95.12	323.14	5.19	-89.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1C(F)(F)F	REAL300000397842	0	28	-2.0	-99.97	294.16	4.31	-95.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1C(F)(F)F	REAL300000397843	0	28	-2.0	-97.32	304.21	5.31	-92.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1C(F)(F)F	REAL300000397844	1	38	-2.0	-107.34	338.95	7.97	-99.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(C)=N1	REAL300000397846	1	37	-2.0	-97.34	338.24	3.25	-94.09
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397847	0	37	-2.0	-107.07	342.81	3.62	-103.45
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1C	REAL300000397848	1	37	-2.0	-98.08	342.71	3.22	-94.86
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000397849	0	40	-2.0	-100.78	358.36	5.95	-94.83
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397850	0	40	-2.0	-102.01	359.00	5.54	-96.47
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=CO1	REAL300000397851	0	29	-2.0	-103.11	298.36	4.21	-98.90
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)SC=C1	REAL300000397852	0	29	-2.0	-105.82	307.45	5.14	-100.68
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000397853	0	37	-2.0	-97.00	337.12	5.08	-91.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1C(F)(F)F	REAL300000397854	0	38	-2.0	-96.97	347.60	5.93	-91.04
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=NN1C(C)C	REAL300000397856	0	40	-2.0	-102.58	358.48	5.61	-96.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1C(F)(F)F	REAL300000397857	0	33	-2.0	-98.23	322.76	4.83	-93.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1C(F)(F)F	REAL300000397859	1	32	-2.0	-103.84	306.42	2.94	-100.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1C(F)(F)F	REAL300000397860	0	27	-2.0	-94.69	281.05	3.41	-91.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C(Cl)S1	REAL300000397861	0	31	-2.0	-97.13	320.67	6.20	-90.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1C(F)(F)F	REAL300000397862	0	27	-2.0	-98.69	281.98	2.91	-95.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1C(F)(F)F	REAL300000397863	0	38	-2.0	-103.40	341.12	5.13	-98.27
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000397864	0	34	-2.0	-107.77	322.31	6.53	-101.24
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC=CC(F)=C32)=CC(C(=O)[O-])=C1	REAL300000397893	0	35	-2.0	-116.64	321.97	7.65	-108.99
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC=CC(F)=C32)=C1	REAL300000397922	0	33	-2.0	-115.43	292.72	5.86	-109.57
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000397959	1	38	-2.0	-88.35	349.95	4.34	-84.01
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000397960	1	31	-2.0	-104.37	298.03	5.78	-98.59
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1	REAL300000397961	0	39	-2.0	-106.39	353.11	6.84	-99.55
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=C1	REAL300000397962	0	31	-2.0	-102.45	309.91	6.46	-95.99
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000397963	1	31	-2.0	-94.36	293.47	5.76	-88.60
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000397964	1	31	-2.0	-107.01	293.50	5.75	-101.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1	REAL300000397965	0	35	-2.0	-113.15	321.64	5.55	-107.60
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000397966	1	31	-2.0	-102.45	309.74	6.24	-96.21
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000397967	1	35	-2.0	-94.37	324.94	7.04	-87.33
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000397968	1	34	-2.0	-108.21	309.51	6.28	-101.93
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000397969	0	31	-2.0	-103.05	306.56	6.31	-96.74
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000397970	1	31	-2.0	-102.80	306.00	6.14	-96.66
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000397971	0	31	-2.0	-98.62	319.07	6.69	-91.93
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000397972	1	37	-2.0	-110.80	326.17	7.10	-103.70
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000397973	0	31	-2.0	-104.68	298.97	5.80	-98.88
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000397974	1	37	-2.0	-93.73	337.06	7.34	-86.39
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000397975	0	28	-2.0	-101.33	286.67	4.76	-96.57
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000397976	1	34	-2.0	-108.62	308.93	6.53	-102.09
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000397977	1	35	-2.0	-93.01	324.56	6.03	-86.98
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=C1	REAL300000397978	1	42	-2.0	-89.58	370.33	6.81	-82.77
CC1=CC(F)=CC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=C1	REAL300000397979	0	28	-2.0	-98.61	303.71	5.54	-93.07
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000397980	0	32	-2.0	-105.34	300.14	5.10	-100.24
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000397981	1	35	-2.0	-109.34	317.28	4.59	-104.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2)=C1	REAL300000397982	0	31	-2.0	-97.30	302.60	5.42	-91.88
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000397983	1	37	-2.0	-109.95	324.95	7.08	-102.87
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000397984	0	28	-2.0	-102.83	285.14	4.78	-98.05
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000397985	1	39	-2.0	-107.26	351.82	5.56	-101.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000397986	1	35	-2.0	-112.89	320.79	5.82	-107.07
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000397987	1	41	-2.0	-112.52	348.73	8.38	-104.14
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000397988	1	40	-2.0	-111.00	347.39	7.75	-103.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1	REAL300000397989	1	37	-2.0	-107.16	323.63	7.48	-99.68
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1	REAL300000397990	0	38	-2.0	-113.34	343.92	6.31	-107.03
CC1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000397991	0	34	-2.0	-108.62	324.36	6.32	-102.30
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000397991	1	33	-3.0	-181.43	321.90	6.30	-175.13
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000397992	1	38	-2.0	-112.83	337.74	7.65	-105.18
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2)C=C(C(=O)[O-])O1	REAL300000397993	0	31	-2.0	-101.26	296.50	4.89	-96.37
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000397994	1	37	-2.0	-111.70	335.66	5.52	-106.18
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000397995	0	35	-2.0	-107.86	322.48	4.84	-103.02
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000397996	1	39	-2.0	-94.40	347.13	6.37	-88.03
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000397997	1	31	-2.0	-96.45	321.18	6.60	-89.85
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000397998	0	31	-2.0	-99.61	311.08	6.34	-93.27
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000397999	1	35	-2.0	-91.52	340.60	6.57	-84.95
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000398000	1	38	-2.0	-93.51	344.65	6.74	-86.77
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000398001	1	41	-2.0	-92.32	373.25	7.00	-85.32
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000398002	1	34	-2.0	-98.94	314.20	6.57	-92.37
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1	REAL300000398003	1	44	-2.0	-93.73	387.10	7.67	-86.06
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000398004	1	35	-2.0	-92.41	330.80	6.10	-86.31
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000398005	1	38	-2.0	-113.59	342.64	6.73	-106.86
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2)C=C(C(=O)[O-])S1	REAL300000398006	0	31	-2.0	-104.90	302.09	5.64	-99.26
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000398007	0	31	-2.0	-96.68	321.71	6.77	-89.91
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000398008	0	31	-2.0	-91.89	306.55	6.31	-85.58
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=C1	REAL300000398009	0	31	-2.0	-91.40	309.90	6.45	-84.95
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000398010	1	31	-2.0	-93.79	298.02	5.79	-88.00
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000398011	0	28	-2.0	-96.14	285.76	4.87	-91.27
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000398012	1	31	-2.0	-97.75	299.90	5.82	-91.93
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000398013	0	34	-2.0	-106.09	319.26	6.45	-99.64
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000398014	0	35	-2.0	-96.43	333.80	6.37	-90.06
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000398015	0	31	-2.0	-93.71	298.94	5.82	-87.89
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000398016	1	31	-2.0	-91.90	305.99	6.15	-85.75
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000398017	1	34	-2.0	-100.70	322.93	6.95	-93.75
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000398018	1	39	-2.0	-91.19	357.24	7.16	-84.03
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000398019	1	31	-2.0	-91.47	309.73	6.25	-85.22
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000398020	1	31	-2.0	-95.87	304.33	5.84	-90.03
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000398021	0	33	-2.0	-91.82	321.68	6.42	-85.40
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000398022	0	32	-2.0	-107.70	303.21	3.45	-104.25
CC1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000398022	1	32	-2.0	-105.59	302.40	4.25	-101.34
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000398023	1	34	-2.0	-98.65	315.66	6.53	-92.12
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000398024	1	31	-2.0	-97.29	314.22	6.28	-91.01
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000398025	1	34	-2.0	-102.67	303.54	6.39	-96.28
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000398026	1	34	-2.0	-105.71	318.34	6.40	-99.31
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000398027	1	34	-2.0	-94.74	308.90	6.52	-88.22
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000398028	1	37	-2.0	-111.44	330.99	6.95	-104.49
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000398029	0	33	-2.0	-105.09	320.07	6.85	-98.24
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000398030	0	31	-2.0	-96.11	305.25	5.88	-90.23
CC1=CC(F)=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=C1	REAL300000398031	0	28	-2.0	-94.03	306.07	5.43	-88.60
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000398032	1	37	-2.0	-106.89	327.97	7.14	-99.75
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000398033	0	34	-2.0	-107.04	318.81	6.45	-100.59
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000398034	0	34	-2.0	-104.83	325.24	6.88	-97.95
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000398035	0	34	-2.0	-111.22	318.53	6.44	-104.78
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000398036	1	37	-2.0	-109.04	327.46	6.94	-102.10
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2)C=C1CC(=O)[O-]	REAL300000398037	1	38	-2.0	-108.92	343.97	5.88	-103.04
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000398038	1	34	-2.0	-96.03	319.76	6.92	-89.11
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000398039	1	34	-2.0	-90.92	323.62	6.55	-84.37
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000398040	1	34	-2.0	-104.55	324.74	6.71	-97.84
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000398041	1	31	-2.0	-99.67	314.78	6.36	-93.31
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000398042	0	35	-2.0	-106.56	321.51	5.96	-100.60
CC1=CC(F)=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000398043	1	43	-2.0	-106.85	358.64	8.62	-98.23
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000398044	0	31	-2.0	-94.71	319.08	6.31	-88.40
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=C1	REAL300000398045	0	35	-2.0	-93.43	338.20	6.04	-87.39
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000398046	1	34	-2.0	-101.42	327.24	6.82	-94.60
CC1=CC(F)=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000398047	0	40	-2.0	-104.64	342.93	7.88	-96.76
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000398048	0	35	-2.0	-108.63	333.81	6.38	-102.25
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000398049	1	34	-2.0	-94.49	309.50	6.29	-88.20
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000398050	0	36	-2.0	-99.40	336.76	7.93	-91.47
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000398051	1	34	-2.0	-106.23	313.03	6.59	-99.64
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000398052	0	33	-2.0	-113.59	317.23	7.60	-105.99
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000398053	0	31	-2.0	-110.51	297.15	5.79	-104.72
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000398054	1	34	-2.0	-99.55	318.43	6.43	-93.12
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000398055	1	37	-2.0	-115.36	334.54	7.87	-107.49
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000398056	0	30	-2.0	-104.63	289.71	3.87	-100.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1	REAL300000398057	0	35	-2.0	-98.75	321.69	5.54	-93.21
CC1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000398058	0	28	-2.0	-94.94	293.64	4.73	-90.21
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000398059	1	35	-2.0	-102.15	337.28	6.30	-95.85
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=C1	REAL300000398060	0	34	-2.0	-97.79	336.84	2.78	-95.01
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000398061	1	38	-2.0	-101.48	339.62	7.64	-93.84
CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000398062	1	38	-2.0	-104.13	338.94	7.64	-96.49
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2)C=C(C(=O)[O-])O1	REAL300000398063	0	34	-2.0	-101.23	315.63	5.74	-95.49
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000398064	1	39	-2.0	-81.92	360.63	4.59	-77.33
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000398065	1	32	-2.0	-97.79	308.70	6.03	-91.76
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C#N)=C1C	REAL300000398066	0	40	-2.0	-98.17	363.79	7.08	-91.09
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000398067	0	32	-2.0	-94.84	320.58	6.71	-88.13
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000398068	1	32	-2.0	-88.33	304.15	6.01	-82.32
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000398069	1	32	-2.0	-99.81	304.16	6.00	-93.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C#N)=C1C	REAL300000398070	0	36	-2.0	-104.77	332.31	5.79	-98.98
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000398071	1	32	-2.0	-95.53	320.41	6.49	-89.04
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000398072	1	36	-2.0	-87.82	335.62	7.29	-80.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)C=C1C(=O)[O-]	REAL300000398073	1	35	-2.0	-100.85	320.21	6.53	-94.32
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000398074	0	32	-2.0	-95.43	317.23	6.57	-88.86
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000398075	1	32	-2.0	-96.00	316.67	6.39	-89.61
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000398076	0	32	-2.0	-91.32	329.73	6.95	-84.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)=C1C	REAL300000398077	1	38	-2.0	-102.44	337.29	7.33	-95.11
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000398078	0	32	-2.0	-96.91	309.64	6.06	-90.85
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000398079	1	38	-2.0	-87.00	347.74	7.59	-79.41
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000398080	0	29	-2.0	-94.69	297.36	5.01	-89.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C#N)=C1C	REAL300000398081	1	35	-2.0	-100.71	319.58	6.78	-93.93
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000398083	1	43	-2.0	-83.09	381.00	7.04	-76.05
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000398084	0	33	-2.0	-98.47	310.81	5.35	-93.12
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)=C1	REAL300000398086	0	32	-2.0	-91.00	313.21	5.69	-85.31
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000398088	0	29	-2.0	-95.89	295.81	5.03	-90.86
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)=CC(C(=O)[O-])=C1OC	REAL300000398089	1	40	-2.0	-100.59	362.48	5.81	-94.78
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000398091	1	42	-2.0	-104.19	359.40	8.63	-95.56
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000398092	1	41	-2.0	-102.45	358.06	8.01	-94.44
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C#N)=C1C	REAL300000398093	1	38	-2.0	-99.08	333.74	7.71	-91.37
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C#N)=C1C	REAL300000398094	0	39	-2.0	-105.04	354.62	6.56	-98.48
CC1=C(C#N)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000398095	0	35	-2.0	-106.48	331.08	6.50	-99.98
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000398095	1	34	-3.0	-174.65	332.57	6.56	-168.09
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000398096	1	39	-2.0	-104.61	348.42	7.89	-96.72
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)C=C(C(=O)[O-])O1	REAL300000398097	0	32	-2.0	-94.55	307.18	5.14	-89.41
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000398098	1	38	-2.0	-104.70	346.33	5.77	-98.93
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)=C1	REAL300000398099	0	36	-2.0	-100.95	333.21	5.08	-95.87
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000398101	1	32	-2.0	-89.93	331.84	6.85	-83.08
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000398102	0	32	-2.0	-92.60	321.76	6.59	-86.01
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000398103	1	36	-2.0	-85.24	351.28	6.82	-78.42
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000398105	1	42	-2.0	-86.08	383.92	7.24	-78.84
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C#N)=C1C	REAL300000398106	1	35	-2.0	-91.76	324.90	6.82	-84.94
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000398108	1	36	-2.0	-86.37	341.47	6.34	-80.03
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)C=C(C(=O)[O-])S1	REAL300000398110	0	32	-2.0	-97.47	312.78	5.89	-91.58
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000398111	0	32	-2.0	-89.57	332.39	7.02	-82.55
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000398112	0	32	-2.0	-85.95	317.21	6.56	-79.39
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000398113	0	32	-2.0	-85.46	320.56	6.70	-78.76
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000398114	1	32	-2.0	-88.09	308.68	6.04	-82.05
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000398115	0	29	-2.0	-89.79	296.43	5.13	-84.66
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000398116	1	32	-2.0	-91.19	310.57	6.06	-85.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)=C1F	REAL300000398117	0	35	-2.0	-98.25	329.93	6.69	-91.56
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000398118	0	36	-2.0	-90.70	344.49	6.62	-84.08
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000398119	0	32	-2.0	-87.66	309.63	6.07	-81.59
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000398120	1	32	-2.0	-86.00	316.65	6.40	-79.60
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C#N)=C1C	REAL300000398121	1	35	-2.0	-93.32	333.59	7.21	-86.11
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000398122	1	40	-2.0	-84.71	367.90	7.41	-77.30
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000398123	1	32	-2.0	-85.52	320.38	6.50	-79.02
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000398124	1	32	-2.0	-89.77	314.98	6.09	-83.68
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000398125	0	34	-2.0	-85.64	332.35	6.67	-78.97
CC1=C(C#N)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000398126	0	33	-2.0	-101.00	311.32	4.55	-96.45
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000398126	1	33	-2.0	-99.59	313.87	3.71	-95.88
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000398127	1	35	-2.0	-92.19	326.34	6.78	-85.41
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000398128	1	32	-2.0	-91.05	324.87	6.53	-84.52
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000398129	1	35	-2.0	-96.24	314.20	6.63	-89.61
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)=CC(C(=O)[O-])=C1F	REAL300000398130	1	35	-2.0	-99.13	328.99	6.65	-92.48
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)=CC(C(=O)[O-])=C1C	REAL300000398132	1	38	-2.0	-102.71	337.63	7.08	-95.63
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000398133	0	34	-2.0	-99.18	330.72	7.09	-92.09
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000398134	0	32	-2.0	-89.02	315.90	6.12	-82.90
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)C=C1C(=O)[O-]	REAL300000398136	0	35	-2.0	-97.86	325.64	6.60	-91.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)=C1Cl	REAL300000398137	0	35	-2.0	-97.16	335.95	7.13	-90.03
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)=C1	REAL300000398138	0	35	-2.0	-104.72	329.17	6.69	-98.03
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)C=C1C(=O)[O-]	REAL300000398139	1	38	-2.0	-101.47	338.50	7.18	-94.29
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000398141	1	35	-2.0	-89.87	330.43	7.18	-82.69
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000398142	1	35	-2.0	-85.09	334.28	6.81	-78.28
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000398143	1	35	-2.0	-97.63	335.38	6.96	-90.67
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000398144	1	32	-2.0	-92.95	325.45	6.61	-86.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)C=C1C(=O)[O-]	REAL300000398145	0	36	-2.0	-99.76	332.12	6.21	-93.55
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000398147	0	32	-2.0	-87.98	329.78	6.55	-81.43
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)C=C1C(=O)[O-]	REAL300000398148	1	35	-2.0	-93.41	334.03	6.97	-86.44
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000398149	0	41	-2.0	-97.11	353.61	8.13	-88.98
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)C=C1C(=O)[O-]	REAL300000398150	0	36	-2.0	-101.00	344.49	6.63	-94.37
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)=CC=C1C(=O)[O-]	REAL300000398151	1	35	-2.0	-88.39	320.17	6.54	-81.85
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000398152	0	37	-2.0	-91.77	347.42	8.19	-83.58
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C#N)=C1C	REAL300000398153	1	35	-2.0	-98.46	324.11	6.81	-91.65
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000398154	0	34	-2.0	-106.93	327.91	7.86	-99.07
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000398155	0	32	-2.0	-103.94	307.80	6.02	-97.92
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)C=C1C(=O)[O-]	REAL300000398156	1	35	-2.0	-91.80	325.34	6.57	-85.23
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000398157	1	38	-2.0	-107.73	345.20	8.12	-99.61
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000398158	0	31	-2.0	-96.94	301.16	4.06	-92.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C#N)=C1C	REAL300000398159	0	36	-2.0	-92.08	332.39	5.79	-86.29
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000398160	0	29	-2.0	-88.52	304.26	4.98	-83.54
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000398161	1	39	-2.0	-94.36	350.29	7.88	-86.48
CC1=C(C#N)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000398162	1	39	-2.0	-96.99	348.25	7.87	-89.12
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C#N)=C2C)C=C(C(=O)[O-])O1	REAL300000398163	0	35	-2.0	-94.38	326.28	5.99	-88.39
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=CS1	REAL300000398164	0	36	-2.0	-95.89	347.53	-0.53	-96.42
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CS1	REAL300000398165	0	29	-2.0	-113.30	295.59	0.91	-112.39
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)SC=C1	REAL300000398166	0	37	-2.0	-112.01	350.68	1.99	-110.02
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CS1	REAL300000398167	0	29	-2.0	-103.45	291.05	0.89	-102.56
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CS1	REAL300000398168	0	29	-2.0	-115.93	291.06	0.88	-115.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)SC=C1	REAL300000398169	0	33	-2.0	-119.35	319.20	0.70	-118.65
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=CS1	REAL300000398170	0	33	-2.0	-101.98	322.52	2.18	-99.80
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C1C(=O)[O-]	REAL300000398171	0	32	-2.0	-117.10	307.08	1.42	-115.68
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=CS1	REAL300000398172	0	29	-2.0	-109.75	304.14	1.46	-108.29
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CS1	REAL300000398173	0	29	-2.0	-111.73	303.57	1.28	-110.45
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=CS1	REAL300000398174	0	29	-2.0	-105.38	316.63	1.83	-103.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)=C1C	REAL300000398175	0	35	-2.0	-116.54	323.45	2.20	-114.34
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CS1	REAL300000398176	0	29	-2.0	-112.06	296.53	0.95	-111.11
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=CS1	REAL300000398177	0	35	-2.0	-101.10	334.64	2.47	-98.63
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CS1	REAL300000398178	0	26	-2.0	-110.36	284.25	-0.09	-110.45
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)SC=C1	REAL300000398179	0	32	-2.0	-114.52	306.49	1.68	-112.84
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=CS1	REAL300000398180	0	33	-2.0	-100.86	322.14	1.17	-99.69
CN1C=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C1C(=O)[O-]	REAL300000398181	0	30	-2.0	-114.31	297.71	0.24	-114.07
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)SC=C1	REAL300000398182	0	33	-2.0	-114.54	315.26	-0.29	-114.83
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)=C1	REAL300000398183	0	29	-2.0	-106.65	300.17	0.57	-106.08
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C1C(=O)[O-]	REAL300000398184	0	35	-2.0	-115.79	322.51	2.21	-113.58
NC(=O)C1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CS1	REAL300000398185	0	26	-2.0	-111.67	282.71	-0.06	-111.73
COC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)=CC(C(=O)[O-])=C1OC	REAL300000398186	0	37	-2.0	-116.86	349.39	0.69	-116.17
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C1C(=O)[O-]	REAL300000398187	0	33	-2.0	-121.74	318.35	0.95	-120.79
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=CS1	REAL300000398188	0	39	-2.0	-118.75	346.30	3.53	-115.22
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)SC=C1	REAL300000398189	0	38	-2.0	-116.33	344.96	2.90	-113.43
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)SC=C1	REAL300000398190	0	35	-2.0	-111.11	318.07	2.58	-108.53
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)SC=C1	REAL300000398191	0	36	-2.0	-121.49	341.49	1.46	-120.03
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CS1	REAL300000398192	0	31	-3.0	-193.89	319.46	1.45	-192.44
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=CS1	REAL300000398193	0	36	-2.0	-119.10	335.31	2.79	-116.31
CC1=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C(C(=O)[O-])O1	REAL300000398194	0	29	-2.0	-108.62	294.07	0.04	-108.58
NC(=O)C1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=CS1	REAL300000398195	0	35	-2.0	-121.07	333.23	0.66	-120.41
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)=C1	REAL300000398196	0	33	-2.0	-119.05	319.98	-0.01	-119.06
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=CS1	REAL300000398197	0	37	-2.0	-101.49	343.98	1.49	-100.00
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=CS1	REAL300000398198	0	29	-2.0	-105.60	318.74	1.73	-103.87
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=CS1	REAL300000398199	0	29	-2.0	-106.42	308.66	1.48	-104.94
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=CS1	REAL300000398200	0	33	-2.0	-99.29	338.17	1.71	-97.58
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)=CC=C1OCC(=O)[O-]	REAL300000398201	0	36	-2.0	-101.33	342.22	1.87	-99.46
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)SC=C1	REAL300000398202	0	32	-2.0	-105.58	311.76	1.71	-103.87
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)=CC=C1OCCCC(=O)[O-]	REAL300000398203	0	42	-2.0	-100.79	384.67	2.81	-97.98
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=CS1	REAL300000398204	0	33	-2.0	-100.25	328.36	1.23	-99.02
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C1C(=O)[O-]	REAL300000398205	0	36	-2.0	-122.45	340.19	1.86	-120.59
CC1=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C(C(=O)[O-])S1	REAL300000398206	0	29	-2.0	-111.37	299.69	0.78	-110.59
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=CS1	REAL300000398207	0	29	-2.0	-103.88	319.29	1.91	-101.97
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=CS1	REAL300000398208	0	29	-2.0	-100.60	304.11	1.44	-99.16
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CS1	REAL300000398209	0	29	-2.0	-102.96	295.60	0.92	-102.04
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CS1	REAL300000398210	0	26	-2.0	-105.33	283.32	0.01	-105.32
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CS1	REAL300000398211	0	29	-2.0	-106.96	297.47	0.95	-106.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)=C1F	REAL300000398212	0	32	-2.0	-113.41	316.82	1.59	-111.82
COC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000398213	0	33	-2.0	-105.43	331.37	1.51	-103.92
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CS1	REAL300000398214	0	29	-2.0	-103.23	296.52	0.96	-102.27
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CS1	REAL300000398215	0	29	-2.0	-100.96	303.57	1.29	-99.67
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)SC=C1	REAL300000398216	0	32	-2.0	-107.14	320.49	2.09	-105.05
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=CS1	REAL300000398217	0	37	-2.0	-98.49	354.80	2.30	-96.19
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=CS1	REAL300000398218	0	29	-2.0	-104.98	301.88	0.98	-104.00
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=CS1	REAL300000398219	0	31	-2.0	-100.98	319.25	1.55	-99.43
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CS1	REAL300000398220	0	30	-2.0	-112.41	300.78	-1.39	-113.80
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CS1	REAL300000398221	0	32	-2.0	-105.70	313.24	1.67	-104.03
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=CS1	REAL300000398222	0	29	-2.0	-106.44	311.77	1.41	-105.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(N)=O)SC=C1	REAL300000398223	0	32	-2.0	-113.47	301.10	1.52	-111.95
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)=CC(C(=O)[O-])=C1F	REAL300000398224	0	32	-2.0	-114.77	315.89	1.53	-113.24
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(N)=O)SC=C1	REAL300000398225	0	32	-2.0	-102.98	306.47	1.67	-101.31
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)=CC(C(=O)[O-])=C1C	REAL300000398226	0	35	-2.0	-119.25	323.96	1.95	-117.30
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=CS1	REAL300000398227	0	31	-2.0	-114.04	317.64	1.98	-112.06
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CS1	REAL300000398228	0	29	-2.0	-104.27	302.80	1.01	-103.26
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C(C)=C1C(=O)[O-]	REAL300000398229	0	35	-2.0	-117.82	325.54	2.27	-115.55
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C1C(=O)[O-]	REAL300000398230	0	32	-2.0	-113.05	312.54	1.48	-111.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)=C1Cl	REAL300000398231	0	32	-2.0	-111.40	322.82	2.02	-109.38
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)=C1	REAL300000398232	0	32	-2.0	-122.76	316.10	1.58	-121.18
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C1C(=O)[O-]	REAL300000398233	0	35	-2.0	-117.83	325.38	2.07	-115.76
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C1CC(=O)[O-]	REAL300000398234	0	36	-2.0	-120.07	341.54	1.02	-119.05
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(N)=O)SC=C1	REAL300000398235	0	32	-2.0	-106.31	317.32	2.09	-104.22
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=CS1	REAL300000398236	0	32	-2.0	-99.80	321.19	1.70	-98.10
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)=CC(C(=O)[O-])=C1Cl	REAL300000398237	0	32	-2.0	-113.64	322.28	1.84	-111.80
CCN1C=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C1C(=O)[O-]	REAL300000398238	0	33	-2.0	-115.66	319.01	1.09	-114.57
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=CS1	REAL300000398239	0	29	-2.0	-102.76	316.67	1.44	-101.32
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C1C(=O)[O-]	REAL300000398240	0	32	-2.0	-110.47	324.83	1.95	-108.52
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C(C(=O)[O-])S1	REAL300000398241	0	38	-2.0	-110.11	338.82	3.02	-107.09
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C1C(=O)[O-]	REAL300000398242	0	33	-2.0	-115.10	331.39	1.52	-113.58
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)=CC=C1C(=O)[O-]	REAL300000398243	0	32	-2.0	-105.13	311.13	1.53	-103.60
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=CS1	REAL300000398244	0	34	-2.0	-106.47	334.31	3.09	-103.38
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)SC=C1	REAL300000398245	0	32	-2.0	-111.80	311.01	1.71	-110.09
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=CS1	REAL300000398246	0	31	-2.0	-124.41	314.81	2.75	-121.66
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CS1	REAL300000398247	0	29	-2.0	-121.97	294.70	0.91	-121.06
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C1C(=O)[O-]	REAL300000398248	0	32	-2.0	-108.69	316.02	1.56	-107.13
NC(=O)C1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=CS1	REAL300000398249	0	35	-2.0	-124.63	332.10	3.01	-121.62
NC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CS1	REAL300000398250	0	28	-2.0	-114.03	287.28	-0.98	-115.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(N)=O)SC=C1	REAL300000398251	0	33	-2.0	-107.25	319.26	0.70	-106.55
NC(=O)C1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CS1	REAL300000398252	0	26	-2.0	-103.13	291.17	-0.11	-103.24
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=CS1	REAL300000398253	0	36	-2.0	-108.84	337.19	2.77	-106.07
NC(=O)C1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=CS1	REAL300000398254	0	36	-2.0	-114.72	335.15	2.75	-111.97
CCC1=C(S(=O)(=O)[N-]C2=C(C(N)=O)SC=C2)C=C(C(=O)[O-])O1	REAL300000398255	0	32	-2.0	-107.24	311.62	0.88	-106.36
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CN=C1Cl	REAL300000398256	0	37	-2.0	-84.85	352.71	2.80	-82.05
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398257	0	30	-2.0	-100.29	300.78	4.26	-96.03
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C)=C1	REAL300000398258	0	38	-2.0	-102.17	355.86	5.31	-96.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CN=C1Cl	REAL300000398259	0	30	-2.0	-90.57	296.24	4.23	-86.34
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398260	0	30	-2.0	-102.50	296.24	4.22	-98.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C)=C1	REAL300000398261	0	34	-2.0	-108.38	324.38	4.02	-104.36
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CN=C1Cl	REAL300000398262	0	34	-2.0	-90.72	327.70	5.52	-85.20
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000398263	0	33	-2.0	-103.58	312.26	4.75	-98.83
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CN=C1Cl	REAL300000398264	0	30	-2.0	-98.83	309.31	4.80	-94.03
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398265	0	30	-2.0	-98.53	308.76	4.61	-93.92
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=CN=C1Cl	REAL300000398266	0	30	-2.0	-94.57	321.81	5.17	-89.40
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CN=C1Cl	REAL300000398267	0	36	-2.0	-106.36	328.92	5.57	-100.79
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CN=C1Cl	REAL300000398268	0	30	-2.0	-100.07	301.72	4.29	-95.78
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CN=C1Cl	REAL300000398269	0	36	-2.0	-90.00	339.83	5.81	-84.19
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CN=C1Cl	REAL300000398270	0	27	-2.0	-96.95	289.43	3.25	-93.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C)=C1	REAL300000398271	0	33	-2.0	-104.34	311.67	5.01	-99.33
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CN=C1Cl	REAL300000398272	1	34	-2.0	-89.33	327.32	4.50	-84.83
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398273	0	31	-2.0	-100.92	302.89	3.58	-97.34
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CN=C1Cl	REAL300000398274	1	34	-2.0	-104.69	320.45	3.05	-101.64
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)=C1	REAL300000398275	0	30	-2.0	-93.14	305.35	3.90	-89.24
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398276	1	36	-2.0	-105.76	327.31	5.57	-100.19
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398277	0	27	-2.0	-98.48	287.89	3.26	-95.22
COC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000398278	0	38	-2.0	-102.78	354.56	4.05	-98.73
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000398279	1	34	-2.0	-108.37	323.54	4.30	-104.07
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CN=C1Cl	REAL300000398280	0	40	-2.0	-107.85	351.48	6.86	-100.99
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CN=C1Cl	REAL300000398281	0	39	-2.0	-106.47	350.14	6.24	-100.23
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C)=C1	REAL300000398282	0	36	-2.0	-103.12	326.36	5.95	-97.17
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C)=C1	REAL300000398283	0	37	-2.0	-108.14	346.67	4.78	-103.36
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398284	0	32	-3.0	-175.58	324.64	4.79	-170.79
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398284	1	33	-2.0	-109.34	327.04	4.79	-104.55
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CN=C1Cl	REAL300000398285	0	37	-2.0	-108.18	340.48	6.13	-102.05
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000398286	0	30	-2.0	-97.26	299.23	3.37	-93.89
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398287	0	36	-2.0	-107.13	338.42	4.01	-103.12
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)=C1	REAL300000398288	0	34	-2.0	-103.45	325.22	3.31	-100.14
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=CN=C1Cl	REAL300000398289	1	38	-2.0	-89.84	349.17	4.82	-85.02
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398290	0	30	-2.0	-92.32	323.93	5.07	-87.25
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CN=C1Cl	REAL300000398291	0	30	-2.0	-95.75	313.83	4.83	-90.92
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CN=C1Cl	REAL300000398292	0	34	-2.0	-87.99	343.35	5.04	-82.95
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CN=C1Cl	REAL300000398293	1	37	-2.0	-89.76	347.40	5.21	-84.55
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CN=C1Cl	REAL300000398294	0	33	-2.0	-94.87	316.96	5.04	-89.83
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=CN=C1Cl	REAL300000398295	1	43	-2.0	-90.05	389.85	6.14	-83.91
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CN=C1Cl	REAL300000398296	0	34	-2.0	-88.98	333.54	4.57	-84.41
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000398297	1	37	-2.0	-109.02	345.39	5.20	-103.82
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000398298	0	30	-2.0	-100.61	305.93	4.11	-96.50
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=CN=C1Cl	REAL300000398299	0	30	-2.0	-92.57	324.45	5.25	-87.32
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CN=C1Cl	REAL300000398300	0	30	-2.0	-88.30	309.29	4.79	-83.51
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CN=C1Cl	REAL300000398301	0	30	-2.0	-90.21	300.77	4.27	-85.94
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CN=C1Cl	REAL300000398302	0	27	-2.0	-92.04	288.50	3.35	-88.69
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398303	0	30	-2.0	-93.53	302.65	4.29	-89.24
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CN=C1Cl	REAL300000398304	0	33	-2.0	-101.40	322.01	4.92	-96.48
COC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000398305	0	34	-2.0	-92.87	336.54	4.86	-88.01
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CN=C1Cl	REAL300000398306	0	30	-2.0	-89.73	301.70	4.30	-85.43
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN=C1Cl	REAL300000398307	0	30	-2.0	-88.20	308.74	4.63	-83.57
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CN=C1Cl	REAL300000398308	0	33	-2.0	-96.58	325.70	5.43	-91.15
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CN=C1Cl	REAL300000398309	0	38	-2.0	-87.67	359.98	5.64	-82.03
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398310	0	30	-2.0	-92.00	307.07	4.31	-87.69
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CN=C1Cl	REAL300000398311	0	32	-2.0	-87.92	324.45	4.89	-83.03
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CN=C1Cl	REAL300000398312	0	31	-2.0	-103.43	305.94	1.95	-101.48
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CN=C1Cl	REAL300000398313	0	33	-2.0	-94.50	318.43	5.00	-89.50
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398314	0	30	-2.0	-93.28	316.96	4.75	-88.53
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CN=C1Cl	REAL300000398315	0	33	-2.0	-98.31	306.28	4.87	-93.44
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398316	0	33	-2.0	-101.44	321.09	4.87	-96.57
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CN=C1Cl	REAL300000398317	1	33	-2.0	-91.10	311.65	5.01	-86.09
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398318	0	36	-2.0	-105.33	329.13	5.29	-100.04
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398319	0	32	-2.0	-101.36	322.82	5.31	-96.05
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CN=C1Cl	REAL300000398320	0	30	-2.0	-91.78	307.99	4.34	-87.44
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000398321	1	36	-2.0	-102.79	329.63	5.63	-97.16
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000398322	0	33	-2.0	-102.33	321.56	4.92	-97.41
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CN=C1Cl	REAL300000398323	0	33	-2.0	-100.50	327.99	5.36	-95.14
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)=C1	REAL300000398324	0	33	-2.0	-106.37	321.28	4.91	-101.46
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000398325	0	36	-2.0	-104.23	330.53	5.41	-98.82
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)C=C1CC(=O)[O-]	REAL300000398326	1	37	-2.0	-104.89	346.72	4.35	-100.54
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CN=C1Cl	REAL300000398327	0	33	-2.0	-91.90	322.50	5.41	-86.49
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CN=C1Cl	REAL300000398328	0	33	-2.0	-87.29	326.35	5.04	-82.25
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398329	0	33	-2.0	-100.12	327.48	5.18	-94.94
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000398330	0	34	-2.0	-102.13	324.26	4.45	-97.68
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=CN=C1Cl	REAL300000398331	1	42	-2.0	-102.76	361.24	7.09	-95.67
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CN=C1Cl	REAL300000398332	0	30	-2.0	-90.67	321.84	4.78	-85.89
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398333	0	33	-2.0	-96.92	329.98	5.30	-91.62
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398334	0	39	-2.0	-100.69	345.68	6.36	-94.33
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000398335	0	34	-2.0	-104.42	336.55	4.87	-99.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CN=C1Cl	REAL300000398336	0	33	-2.0	-90.59	312.24	4.77	-85.82
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CN=C1Cl	REAL300000398337	0	35	-2.0	-95.01	339.51	6.41	-88.60
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CN=C1Cl	REAL300000398338	1	33	-2.0	-101.91	316.20	5.04	-96.87
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CN=C1Cl	REAL300000398339	0	32	-2.0	-109.13	319.97	6.08	-103.05
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CN=C1Cl	REAL300000398340	0	30	-2.0	-105.74	299.90	4.25	-101.49
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398341	0	33	-2.0	-95.12	321.18	4.90	-90.22
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398342	0	36	-2.0	-110.43	337.28	6.36	-104.07
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CN=C1Cl	REAL300000398343	0	29	-2.0	-100.34	293.23	2.29	-98.05
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C)=C1	REAL300000398344	0	34	-2.0	-94.62	324.45	4.03	-90.59
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CN=C1Cl	REAL300000398345	0	27	-2.0	-90.90	296.39	3.20	-87.70
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CN=C1Cl	REAL300000398346	0	37	-2.0	-97.47	342.36	6.10	-91.37
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CN=C1Cl	REAL300000398347	0	37	-2.0	-99.40	341.71	6.11	-93.29
CCC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000398348	0	33	-2.0	-97.35	318.36	4.22	-93.13
O=C([O-])C1=CC(S(=O)(=O)N2CC(CO)OC3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000398372	0	40	-2.0	-111.51	354.35	3.70	-107.81
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC(CO)OC3=CC=CC=C32)=C1	REAL300000398391	0	38	-2.0	-110.88	336.68	1.99	-108.89
COC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000398448	0	38	-2.0	-108.75	354.41	6.45	-102.30
COC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000398471	0	36	-2.0	-112.39	325.85	4.56	-107.83
COC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000398527	0	38	-2.0	-110.43	364.22	6.95	-103.48
COC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000398543	0	36	-2.0	-110.63	335.65	5.05	-105.58
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)=N1	REAL300000398566	1	40	-2.0	-111.43	368.14	4.89	-106.54
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=N1	REAL300000398567	1	40	-2.0	-101.31	363.58	4.87	-96.44
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000398568	1	40	-2.0	-114.25	363.61	4.86	-109.39
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)=N1	REAL300000398569	1	44	-2.0	-100.73	395.06	6.15	-94.58
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000398570	1	43	-2.0	-115.46	379.63	5.39	-110.07
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)=N1	REAL300000398571	0	40	-2.0	-112.14	369.07	4.93	-107.21
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=N1	REAL300000398572	0	37	-2.0	-108.41	356.78	3.88	-104.53
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2)=N1	REAL300000398573	1	43	-2.0	-116.03	379.03	5.66	-110.37
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000398574	0	41	-2.0	-112.43	370.25	4.22	-108.21
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=C2)=N1	REAL300000398575	0	40	-2.0	-104.28	372.71	4.55	-99.73
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=N1	REAL300000398576	0	37	-2.0	-109.78	355.25	3.91	-105.87
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)=N1	REAL300000398577	0	40	-2.0	-108.37	366.60	4.00	-104.37
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=C2)=N1	REAL300000398578	0	40	-2.0	-111.99	373.29	4.75	-107.24
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)=N1	REAL300000398579	1	40	-2.0	-100.58	368.12	4.90	-95.68
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=N1	REAL300000398580	0	37	-2.0	-103.08	355.85	4.00	-99.08
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000398581	1	40	-2.0	-104.92	370.01	4.92	-100.00
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)=N1	REAL300000398582	0	40	-2.0	-100.61	369.06	4.94	-95.67
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)=N1	REAL300000398583	0	41	-2.0	-115.27	373.30	2.59	-112.68
CC1=COC(C2=CC=C(C)C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)=N1	REAL300000398583	1	41	-2.0	-109.41	367.75	3.40	-106.01
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)=N1	REAL300000398584	1	43	-2.0	-105.33	385.79	5.65	-99.68
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)=N1	REAL300000398585	1	43	-2.0	-109.65	373.63	5.51	-104.14
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=NC(C)=CO3)=CC=C2C)C=C1C(=O)[O-]	REAL300000398587	0	44	-2.0	-113.72	391.54	5.08	-108.64
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2)=N1	REAL300000398588	1	43	-2.0	-101.42	379.61	5.40	-96.02
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)=N1	REAL300000398589	0	40	-2.0	-117.54	367.23	4.89	-112.65
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=N1	REAL300000398590	0	39	-2.0	-112.06	359.81	3.00	-109.06
CC1=COC(C2=CC=C(C)C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)=N1	REAL300000398591	0	37	-2.0	-101.91	363.70	3.84	-98.07
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=NC(C)=CO3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000398592	0	43	-2.0	-108.30	385.73	4.85	-103.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=CC=C1F	REAL300000398593	0	32	-2.0	-103.99	315.62	4.71	-99.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1	REAL300000398594	0	32	-2.0	-94.02	311.05	4.68	-89.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000398595	0	32	-2.0	-106.48	311.08	4.68	-101.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1OC(F)F	REAL300000398596	0	36	-2.0	-112.27	339.22	4.48	-107.79
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1	REAL300000398597	0	36	-2.0	-93.95	342.52	5.98	-87.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000398598	0	35	-2.0	-107.58	327.09	5.21	-102.37
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000398599	0	32	-2.0	-102.40	324.15	5.25	-97.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=CC=C1Cl	REAL300000398600	0	32	-2.0	-102.33	323.59	5.07	-97.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C1C	REAL300000398601	0	38	-2.0	-110.00	343.74	6.02	-103.98
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000398602	0	32	-2.0	-104.09	316.54	4.74	-99.35
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1	REAL300000398603	0	38	-2.0	-93.38	354.66	6.27	-87.11
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000398604	0	29	-2.0	-100.88	304.26	3.70	-97.18
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1OC(F)F	REAL300000398605	0	35	-2.0	-107.87	326.51	5.46	-102.41
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1	REAL300000398606	0	36	-2.0	-92.63	342.14	4.96	-87.67
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000398607	0	33	-2.0	-104.75	317.72	4.03	-100.72
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1OC(F)F	REAL300000398608	0	36	-2.0	-108.57	334.86	3.53	-105.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000398609	0	32	-2.0	-96.88	320.21	4.37	-92.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000398610	0	38	-2.0	-109.09	342.53	6.00	-103.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=CS1	REAL300000398611	0	29	-2.0	-102.32	302.73	3.72	-98.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000398612	0	36	-2.0	-112.35	338.37	4.75	-107.60
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1OC(F)F	REAL300000398613	0	38	-2.0	-106.20	341.20	6.40	-99.80
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000398614	0	32	-2.0	-100.63	314.08	3.82	-96.81
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000398615	0	36	-2.0	-106.70	339.99	3.77	-102.93
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1OC(F)F	REAL300000398616	0	35	-2.0	-98.34	331.78	5.49	-92.85
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300000398617	0	32	-2.0	-104.11	320.77	4.56	-99.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C(Cl)=C1	REAL300000398618	0	32	-2.0	-91.61	324.13	5.26	-86.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1F	REAL300000398619	0	32	-2.0	-93.56	315.60	4.73	-88.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)S1	REAL300000398620	0	29	-2.0	-95.76	303.33	3.81	-91.95
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000398621	0	32	-2.0	-97.36	317.49	4.74	-92.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C1F	REAL300000398622	0	35	-2.0	-105.42	336.82	5.38	-100.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C(F)=C1	REAL300000398623	0	32	-2.0	-93.39	316.54	4.76	-88.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1Cl	REAL300000398624	0	32	-2.0	-91.61	323.57	5.08	-86.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=CC(F)=C1F	REAL300000398625	0	32	-2.0	-95.56	321.90	4.77	-90.79
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000398626	0	33	-2.0	-106.79	320.79	2.39	-104.40
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1	REAL300000398627	0	35	-2.0	-98.13	333.26	5.46	-92.67
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1OC(F)F	REAL300000398628	0	35	-2.0	-102.12	321.11	5.31	-96.81
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=CC(C(=O)[O-])=C1F	REAL300000398629	0	35	-2.0	-105.24	335.92	5.33	-99.91
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1OC(F)F	REAL300000398630	0	35	-2.0	-94.28	326.49	5.46	-88.82
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=CC(C(=O)[O-])=C1C	REAL300000398631	0	38	-2.0	-109.35	344.54	5.76	-103.59
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000398632	0	32	-2.0	-95.59	322.81	4.81	-90.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C(C)=C1C(=O)[O-]	REAL300000398633	0	38	-2.0	-106.45	344.60	6.09	-100.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000398634	0	35	-2.0	-106.33	336.39	5.37	-100.96
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000398635	0	35	-2.0	-110.62	336.12	5.37	-105.25
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000398636	0	38	-2.0	-108.32	345.40	5.86	-102.46
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000398637	0	36	-2.0	-105.99	339.02	4.90	-101.09
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000398638	0	35	-2.0	-94.18	327.08	5.22	-88.96
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1OC(F)F	REAL300000398639	0	35	-2.0	-105.52	330.61	5.53	-99.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C1F	REAL300000398640	0	32	-2.0	-109.89	314.71	4.71	-105.18
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000398641	0	35	-2.0	-99.14	336.03	5.35	-93.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000398642	0	31	-2.0	-104.12	308.05	2.75	-101.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1OC(F)F	REAL300000398643	0	36	-2.0	-98.23	339.28	4.48	-93.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)=C(Cl)O1	REAL300000398644	0	29	-2.0	-94.47	311.18	3.66	-90.81
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000398645	0	35	-2.0	-100.50	333.20	4.67	-95.83
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000398646	1	41	-2.0	-104.54	367.37	7.73	-96.81
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000398647	1	38	-2.0	-105.23	351.94	6.95	-98.28
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1	REAL300000398650	0	32	-2.0	-108.99	305.66	6.57	-102.42
O=C([O-])C=CC1=CC=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000398651	0	35	-2.0	-98.96	337.16	5.89	-93.07
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000398652	0	31	-2.0	-93.48	309.02	4.93	-88.55
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000398653	1	33	-2.0	-98.99	317.99	6.69	-92.30
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000398654	1	33	-2.0	-95.20	317.97	6.69	-88.51
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000398655	0	32	-2.0	-99.00	319.38	6.88	-92.12
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398656	0	33	-2.0	-109.14	315.25	6.57	-102.57
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC=C1Br	REAL300000398657	1	35	-2.0	-96.91	336.66	7.48	-89.43
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1	REAL300000398658	0	32	-2.0	-102.25	313.64	6.99	-95.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1NC(C)=O	REAL300000398659	1	43	-2.0	-115.23	381.26	4.62	-110.61
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O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000398661	1	34	-3.0	-167.37	330.16	6.89	-160.48
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000398663	0	36	-2.0	-98.57	346.47	8.38	-90.19
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1	REAL300000398664	1	41	-2.0	-100.35	359.96	6.23	-94.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000398665	1	37	-2.0	-100.53	341.35	7.48	-93.05
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398666	0	35	-2.0	-97.59	313.40	4.12	-93.47
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=C1	REAL300000398667	0	29	-2.0	-95.14	310.77	6.02	-89.12
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O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300000398670	1	35	-2.0	-94.68	335.90	7.29	-87.39
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O=C([O-])C=CC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000398672	0	35	-2.0	-105.37	328.32	6.83	-98.54
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000398672	1	34	-3.0	-156.49	325.61	6.87	-149.62
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000398673	0	40	-2.0	-109.57	354.89	5.37	-104.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1OC	REAL300000398674	1	40	-2.0	-100.92	355.90	5.51	-95.41
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1	REAL300000398675	1	39	-2.0	-103.79	342.70	8.20	-95.59
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398676	0	34	-2.0	-93.33	312.08	5.22	-88.11
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1	REAL300000398677	1	32	-2.0	-93.83	329.07	7.28	-86.55
O=C([O-])C=CC1=CC=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000398678	0	35	-2.0	-101.25	332.17	6.73	-94.52
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000398678	1	34	-3.0	-170.19	325.61	6.86	-163.33
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300000398679	1	32	-2.0	-93.08	309.86	6.41	-86.67
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O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300000398681	1	35	-2.0	-98.47	336.23	7.31	-91.16
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000398682	1	35	-2.0	-102.83	318.58	6.96	-95.87
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1	REAL300000398684	0	35	-2.0	-104.77	323.02	7.68	-97.09
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300000398685	1	32	-2.0	-98.87	313.88	6.82	-92.05
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000398686	1	37	-2.0	-101.13	338.41	6.71	-94.42
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000398687	1	38	-2.0	-102.50	334.05	7.73	-94.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1C	REAL300000398688	1	38	-2.0	-103.61	336.27	7.53	-96.08
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1	REAL300000398689	1	32	-2.0	-93.25	319.75	6.86	-86.39
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000398690	1	37	-2.0	-111.38	338.41	6.70	-104.68
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398692	0	38	-2.0	-113.40	342.39	7.68	-105.72
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000398693	1	41	-2.0	-97.20	373.80	7.89	-89.31
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1	REAL300000398694	0	32	-2.0	-100.35	325.47	7.32	-93.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000398695	1	38	-2.0	-100.10	352.67	7.05	-93.05
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000398696	1	44	-2.0	-101.52	373.35	8.61	-92.91
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000398697	1	41	-2.0	-101.59	357.38	8.22	-93.37
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000398698	1	44	-2.0	-101.42	375.83	8.88	-92.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398699	0	38	-3.0	-174.36	353.76	6.66	-167.70
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398699	1	39	-2.0	-106.35	356.49	6.61	-99.74
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000398700	0	39	-2.0	-105.51	359.80	8.12	-97.39
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000398700	1	38	-3.0	-155.89	357.08	8.15	-147.74
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1	REAL300000398701	0	32	-2.0	-102.72	320.76	7.62	-95.10
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300000398702	0	29	-2.0	-95.00	306.13	5.92	-89.08
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000398703	1	41	-2.0	-101.39	361.56	8.51	-92.88
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398704	0	36	-2.0	-108.30	325.41	6.08	-102.22
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000398705	0	38	-2.0	-115.41	348.34	7.26	-108.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000398705	1	37	-3.0	-171.63	341.63	7.39	-164.24
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398706	0	43	-2.0	-122.43	381.49	4.97	-117.46
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1	REAL300000398707	0	32	-2.0	-97.43	315.21	6.49	-90.94
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1	REAL300000398708	1	32	-2.0	-94.04	330.61	7.33	-86.71
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1	REAL300000398709	0	32	-2.0	-102.99	310.28	6.85	-96.14
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1	REAL300000398710	1	32	-2.0	-98.79	318.44	6.93	-91.86
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300000398711	0	34	-2.0	-99.57	325.37	6.97	-92.60
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398712	1	37	-2.0	-98.52	340.86	7.74	-90.78
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=C1	REAL300000398713	1	34	-2.0	-94.21	337.83	7.34	-86.87
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000398714	0	29	-2.0	-100.21	289.08	5.30	-94.91
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300000398716	0	34	-2.0	-113.31	315.70	7.69	-105.62
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000398717	0	34	-3.0	-164.63	338.68	7.43	-157.20
O=C([O-])C=CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000398717	1	35	-2.0	-100.44	341.33	7.41	-93.03
O=C([O-])C=CC1=CC=CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000398718	0	35	-2.0	-113.28	344.67	7.12	-106.16
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000398718	1	34	-3.0	-165.97	338.13	7.25	-158.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000398719	1	35	-2.0	-102.31	318.57	6.97	-95.34
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1	REAL300000398721	0	32	-2.0	-98.36	309.06	6.43	-91.93
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300000398722	1	32	-2.0	-99.07	303.56	6.37	-92.70
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1	REAL300000398723	0	32	-2.0	-93.48	309.97	6.44	-87.04
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300000398725	1	38	-2.0	-102.49	341.64	5.46	-97.03
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398727	1	47	-2.0	-103.33	388.84	9.39	-93.94
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300000398728	1	32	-2.0	-96.04	313.89	6.81	-89.23
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1	REAL300000398729	1	32	-2.0	-96.03	318.46	6.92	-89.11
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300000398730	0	34	-2.0	-91.64	325.39	6.96	-84.68
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CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000398732	1	39	-2.0	-107.32	353.53	5.18	-102.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)S1	REAL300000398733	0	32	-2.0	-101.27	310.97	6.10	-95.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)=C1C	REAL300000398734	0	41	-2.0	-107.27	357.42	7.73	-99.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1C	REAL300000398734	1	40	-3.0	-171.50	358.29	8.21	-163.29
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398735	0	36	-2.0	-101.79	342.14	6.60	-95.19
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398736	1	35	-2.0	-98.36	333.93	7.69	-90.67
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O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000398738	0	34	-3.0	-166.23	331.09	6.92	-159.31
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1	REAL300000398739	0	29	-2.0	-93.90	320.00	6.45	-87.45
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000398740	1	47	-2.0	-101.21	400.62	9.80	-91.41
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398741	1	37	-2.0	-98.06	335.42	7.56	-90.50
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1	REAL300000398742	0	32	-2.0	-101.28	309.05	6.43	-94.85
O=C([O-])C=CC1=CC=CC(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000398743	0	41	-2.0	-101.91	371.91	8.41	-93.50
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000398743	1	40	-3.0	-154.95	369.20	8.44	-146.51
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000398744	1	42	-2.0	-107.08	373.82	6.01	-101.07
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1	REAL300000398745	1	36	-2.0	-98.35	332.89	3.12	-95.23
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000398746	1	36	-2.0	-100.02	337.36	7.32	-92.70
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1	REAL300000398747	1	37	-2.0	-99.08	339.26	4.75	-94.33
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CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1OCC	REAL300000398749	1	46	-2.0	-100.92	399.59	7.35	-93.57
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(Cl)=C1	REAL300000398781	0	35	-2.0	-102.78	331.70	7.52	-95.26
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COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1OC	REAL300000398802	0	40	-2.0	-102.55	361.36	5.57	-96.98
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1OC	REAL300000398803	1	43	-2.0	-100.74	371.32	6.28	-94.46
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000398804	0	35	-3.0	-168.14	332.26	6.21	-161.93
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COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1Cl	REAL300000398811	1	36	-2.0	-98.72	342.68	6.16	-92.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1F	REAL300000398812	1	36	-2.0	-98.69	332.87	5.68	-93.01
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CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=N1	REAL300000398817	0	32	-2.0	-99.45	301.70	4.01	-95.44
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CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CN1C	REAL300000398820	0	40	-2.0	-101.14	361.34	3.95	-97.19
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398821	1	35	-2.0	-98.46	329.36	7.58	-90.88
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O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)=C1	REAL300000398827	1	40	-2.0	-101.17	360.67	6.15	-95.02
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000398828	0	34	-3.0	-159.49	334.72	6.54	-152.95
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1Cl	REAL300000398829	1	33	-2.0	-92.54	333.37	7.11	-85.43
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CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000398831	0	41	-2.0	-107.32	358.94	8.19	-99.13
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COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C2=CC=CN=C12	REAL300000398833	1	41	-2.0	-104.16	362.45	6.09	-98.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1Cl	REAL300000398834	1	35	-2.0	-99.49	332.62	7.40	-92.09
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COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398837	0	38	-2.0	-96.72	353.62	6.75	-89.97
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1F	REAL300000398839	1	35	-2.0	-99.44	323.88	7.00	-92.44
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398840	1	35	-2.0	-95.75	329.36	7.57	-88.18
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000398841	0	35	-2.0	-106.42	324.06	7.02	-99.40
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CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398844	0	37	-2.0	-114.11	330.74	8.56	-105.55
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CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000398849	0	40	-2.0	-116.96	358.42	7.58	-109.38
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000398852	0	31	-3.0	-165.41	317.26	5.89	-159.52
O=C([O-])C=CC1=CC=CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000398852	1	32	-2.0	-111.23	323.89	5.76	-105.47
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1Cl	REAL300000398853	0	35	-2.0	-103.37	339.52	8.19	-95.18
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000398854	1	41	-2.0	-107.14	373.35	4.59	-102.55
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=C1	REAL300000398855	0	34	-2.0	-91.62	338.51	7.54	-84.08
COC1=CC=C(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000398856	0	39	-2.0	-121.83	359.45	6.80	-115.03
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C2=CC=CN=C2C=C1	REAL300000398857	1	40	-2.0	-102.81	347.25	7.68	-95.13
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=C1	REAL300000398858	0	29	-2.0	-99.62	309.46	5.86	-93.76
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC=C1O	REAL300000398859	1	39	-2.0	-98.60	360.76	4.99	-93.61
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COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CN1	REAL300000399018	0	36	-2.0	-102.39	340.55	4.65	-97.74
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CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399021	1	35	-2.0	-98.72	317.53	7.11	-91.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1Br	REAL300000399022	1	35	-2.0	-99.64	336.66	7.49	-92.15
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC=C1C	REAL300000399023	1	41	-2.0	-99.65	367.96	7.48	-92.17
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CS1	REAL300000399024	0	35	-2.0	-101.11	344.42	5.98	-95.13
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC=C1F	REAL300000399025	1	38	-2.0	-95.42	356.49	6.98	-88.44
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)S1	REAL300000399026	0	34	-2.0	-98.62	321.42	4.90	-93.72
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CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399036	1	35	-2.0	-99.07	324.97	7.03	-92.04
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399038	0	38	-2.0	-97.77	355.04	5.77	-92.00
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COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399044	1	44	-2.0	-105.01	384.62	8.30	-96.71
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COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)S1	REAL300000399052	0	39	-2.0	-102.47	375.00	5.38	-97.09
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399053	1	35	-2.0	-98.51	330.31	7.60	-90.91
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000399054	0	35	-3.0	-167.76	335.33	4.57	-163.19
O=C([O-])C=CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000399054	1	35	-3.0	-170.51	334.43	5.44	-165.07
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1	REAL300000399055	1	42	-2.0	-105.03	352.46	8.93	-96.10
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399056	0	37	-2.0	-103.31	355.10	6.32	-96.99
O=C([O-])C=CC1=CC=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000399057	0	38	-2.0	-101.17	350.51	7.61	-93.56
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000399057	1	37	-3.0	-159.35	347.80	7.64	-151.71
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1Cl	REAL300000399058	1	39	-2.0	-102.20	367.31	5.82	-96.38
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)O1	REAL300000399059	0	38	-2.0	-96.85	358.56	6.02	-90.83
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1	REAL300000399060	0	34	-2.0	-92.05	331.78	7.03	-85.02
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399061	0	37	-2.0	-110.39	351.47	7.28	-103.11
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)=CC=C21	REAL300000399062	1	44	-2.0	-101.14	387.87	7.83	-93.31
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399063	1	37	-2.0	-93.64	352.89	8.12	-85.52
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399064	0	35	-2.0	-110.20	339.88	7.00	-103.20
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)SC=C1	REAL300000399065	0	33	-2.0	-109.16	319.32	4.58	-104.58
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399066	1	41	-2.0	-109.22	379.33	4.71	-104.51
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300000399067	0	38	-2.0	-101.29	352.15	7.49	-93.80
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000399068	0	35	-2.0	-104.14	326.91	6.69	-97.45
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)C=CC=C2C=C1	REAL300000399069	0	40	-2.0	-118.40	358.66	7.54	-110.86
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)C=C21	REAL300000399070	1	43	-2.0	-98.02	380.45	5.81	-92.21
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=C1	REAL300000399071	1	38	-2.0	-101.56	352.56	9.03	-92.53
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC(F)=C1F	REAL300000399072	1	38	-2.0	-91.08	362.77	7.04	-84.04
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)SC2=CC=CC(F)=C12	REAL300000399073	0	38	-2.0	-105.17	357.11	8.33	-96.84
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1F	REAL300000399074	0	37	-2.0	-99.70	351.17	7.67	-92.03
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399075	0	34	-2.0	-106.19	330.39	5.04	-101.15
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)C=NC2=C1Cl	REAL300000399077	0	37	-2.0	-92.97	358.14	6.25	-86.72
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)=C1	REAL300000399078	1	34	-2.0	-94.88	345.42	6.21	-88.67
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399079	0	32	-2.0	-92.80	312.12	5.25	-87.55
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)N=C1Cl	REAL300000399080	0	32	-2.0	-106.79	317.49	5.12	-101.67
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399081	1	40	-2.0	-104.82	356.13	4.91	-99.91
O=C([O-])C=CC1=CC=CC(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000399082	0	35	-2.0	-108.13	353.03	7.26	-100.87
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000399082	1	34	-3.0	-160.20	346.33	7.39	-152.81
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1	REAL300000399083	0	33	-2.0	-106.73	312.99	5.04	-101.69
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1C	REAL300000399084	0	40	-2.0	-112.59	349.95	9.05	-103.54
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399085	0	33	-2.0	-93.62	319.37	4.13	-89.49
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)S1	REAL300000399086	0	31	-2.0	-98.40	305.68	4.12	-94.28
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC=C1Cl	REAL300000399087	1	38	-2.0	-95.31	364.47	7.34	-87.97
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399088	1	37	-2.0	-92.86	344.94	7.77	-85.09
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399089	0	38	-2.0	-107.81	337.43	7.49	-100.32
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399089	1	37	-3.0	-168.19	335.68	7.50	-160.69
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000399091	1	39	-2.0	-119.53	361.76	4.16	-115.37
CC1=CC(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000399092	0	38	-2.0	-101.44	356.93	7.38	-94.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000399092	1	37	-3.0	-168.70	350.45	7.51	-161.19
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399093	0	38	-2.0	-98.49	340.53	7.21	-91.28
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399094	0	38	-2.0	-108.95	356.06	7.40	-101.55
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(F)=C1	REAL300000399095	0	33	-2.0	-99.08	326.45	6.98	-92.10
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C(C)N1	REAL300000399096	0	45	-2.0	-101.55	393.07	6.97	-94.58
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1F	REAL300000399097	0	35	-2.0	-101.16	329.36	7.06	-94.10
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000399098	0	38	-2.0	-92.39	352.68	7.04	-85.35
CC1=CC(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000399099	0	41	-2.0	-115.69	364.95	7.81	-107.88
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000399099	1	40	-3.0	-173.61	358.50	7.93	-165.68
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1	REAL300000399100	1	38	-2.0	-110.28	354.90	9.13	-101.15
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1F	REAL300000399101	0	38	-2.0	-100.57	362.26	3.84	-96.73
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000399102	0	36	-3.0	-167.93	352.19	7.96	-159.97
O=C([O-])C=CC1=CC=CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000399102	1	37	-2.0	-121.52	358.83	7.82	-113.70
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1	REAL300000399103	0	35	-2.0	-98.92	342.49	7.80	-91.12
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1CC	REAL300000399104	1	44	-2.0	-103.44	374.22	8.86	-94.58
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000399105	0	34	-3.0	-157.99	337.37	6.99	-151.00
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC([N+](=O)[O-])=C1F	REAL300000399106	1	37	-2.0	-93.07	350.19	7.62	-85.45
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399107	0	38	-2.0	-105.62	359.11	8.20	-97.42
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1	REAL300000399108	0	31	-2.0	-99.35	316.13	5.75	-93.60
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399109	0	38	-2.0	-109.78	342.76	6.67	-103.11
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=N1	REAL300000399110	0	37	-2.0	-94.35	347.89	5.14	-89.21
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1	REAL300000399111	0	31	-2.0	-92.06	322.59	5.47	-86.59
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000399112	0	41	-2.0	-112.61	361.20	8.26	-104.35
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000399113	0	37	-3.0	-168.68	350.93	7.56	-161.12
CC1=CC(F)=C(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000399113	1	38	-2.0	-101.80	353.53	7.53	-94.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1Cl	REAL300000399114	0	37	-3.0	-166.43	357.37	8.00	-158.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)=C1Cl	REAL300000399114	1	38	-2.0	-101.14	360.04	7.97	-93.17
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399115	0	37	-3.0	-177.38	350.65	7.55	-169.83
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1	REAL300000399116	0	32	-2.0	-90.77	324.39	6.76	-84.01
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399117	1	40	-2.0	-111.42	360.24	7.57	-103.85
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=N1	REAL300000399118	0	39	-2.0	-98.05	356.90	3.91	-94.14
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300000399119	0	37	-2.0	-107.18	347.47	7.14	-100.04
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1Br	REAL300000399120	0	35	-2.0	-103.09	331.84	7.56	-95.53
CCC1=CC=C(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000399121	0	41	-2.0	-115.27	366.65	7.91	-107.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000399121	1	40	-3.0	-172.44	359.90	8.05	-164.39
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1	REAL300000399122	0	43	-2.0	-99.97	374.31	4.83	-95.14
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1C#N	REAL300000399125	0	36	-2.0	-109.96	334.41	7.08	-102.88
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399126	0	38	-2.0	-100.21	347.95	6.77	-93.44
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)S1	REAL300000399127	0	41	-2.0	-101.60	370.14	7.95	-93.65
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399128	0	38	-2.0	-109.67	344.64	7.04	-102.63
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300000399129	0	40	-2.0	-98.10	355.19	4.05	-94.05
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1F	REAL300000399131	0	35	-2.0	-107.18	322.97	7.00	-100.18
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=N1	REAL300000399132	0	38	-2.0	-95.90	346.20	3.92	-91.98
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1	REAL300000399133	0	39	-2.0	-112.68	343.10	6.32	-106.36
COC1=CC=C(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)C=C1CC(=O)[O-]	REAL300000399134	0	42	-2.0	-117.23	382.63	6.86	-110.37
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000399135	1	39	-2.0	-101.74	352.24	6.02	-95.72
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399136	0	37	-2.0	-104.49	336.42	3.29	-101.20
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1Cl	REAL300000399137	0	35	-2.0	-103.78	329.02	7.43	-96.35
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C(C)O1	REAL300000399139	0	35	-2.0	-99.99	320.13	5.88	-94.11
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=C1	REAL300000399140	0	38	-2.0	-106.95	343.41	3.97	-102.98
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399142	1	41	-2.0	-98.38	380.20	7.95	-90.43
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399143	1	39	-2.0	-100.74	343.75	6.32	-94.42
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C(C(=O)OC)O1	REAL300000399144	0	41	-2.0	-96.30	374.14	6.71	-89.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)O1	REAL300000399146	0	32	-2.0	-101.64	301.75	5.11	-96.53
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399147	0	35	-2.0	-102.20	330.11	6.69	-95.51
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1	REAL300000399148	1	35	-2.0	-99.08	323.20	4.96	-94.12
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000399149	0	40	-2.0	-115.98	350.96	8.11	-107.87
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1	REAL300000399150	0	38	-2.0	-109.50	346.44	8.30	-101.20
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399151	0	38	-2.0	-104.98	348.78	7.76	-97.22
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1	REAL300000399152	0	34	-2.0	-90.21	329.90	6.99	-83.22
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399153	0	38	-2.0	-94.10	351.81	7.60	-86.50
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399153	1	37	-3.0	-160.81	351.87	8.03	-152.78
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1	REAL300000399154	1	32	-2.0	-93.73	320.29	6.89	-86.84
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C(C)O1	REAL300000399155	0	38	-2.0	-96.53	355.01	5.86	-90.67
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1	REAL300000399156	0	31	-2.0	-93.85	308.92	4.99	-88.86
CC1=CC(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)=CC(C(=O)[O-])=C1Cl	REAL300000399157	0	38	-2.0	-98.78	363.31	7.69	-91.09
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC(C(=O)[O-])=C1Cl	REAL300000399157	1	37	-3.0	-167.79	356.83	7.83	-159.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)N=C1C	REAL300000399158	0	38	-2.0	-111.84	342.92	6.09	-105.75
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399159	0	35	-2.0	-102.52	335.05	7.66	-94.86
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399160	0	35	-2.0	-103.26	331.69	7.52	-95.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000399161	0	38	-3.0	-169.50	353.75	7.07	-162.43
CCN1C=C(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000399161	1	39	-2.0	-117.78	360.27	6.94	-110.84
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399162	0	35	-2.0	-100.66	337.03	5.05	-95.61
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399163	0	44	-2.0	-101.98	373.29	6.88	-95.10
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CN1C	REAL300000399164	0	42	-2.0	-104.40	380.19	7.33	-97.07
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399165	1	40	-2.0	-97.21	359.18	8.35	-88.86
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1	REAL300000399166	0	32	-2.0	-105.92	313.20	7.10	-98.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(Cl)=N1	REAL300000399167	0	34	-2.0	-101.26	327.05	5.61	-95.65
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399168	0	37	-2.0	-100.50	346.20	6.49	-94.01
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)=C1	REAL300000399169	0	39	-2.0	-102.38	362.21	7.49	-94.89
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1Cl	REAL300000399170	1	36	-2.0	-98.51	352.36	7.77	-90.74
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)S1	REAL300000399171	0	34	-2.0	-98.05	327.16	4.88	-93.17
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)C=C12	REAL300000399172	0	39	-2.0	-93.17	358.39	4.01	-89.16
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)S1	REAL300000399173	0	34	-2.0	-97.03	336.44	6.68	-90.35
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CN=C1Cl	REAL300000399175	0	35	-2.0	-92.66	338.00	4.26	-88.40
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)=CC=C21	REAL300000399176	1	41	-2.0	-99.21	373.10	7.26	-91.95
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)=C1	REAL300000399177	1	44	-2.0	-100.95	381.36	7.77	-93.18
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000399178	0	34	-2.0	-92.34	331.87	5.54	-86.80
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399179	1	38	-2.0	-98.76	358.34	7.02	-91.74
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=C1	REAL300000399180	0	35	-2.0	-99.70	342.53	3.52	-96.18
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399181	0	47	-2.0	-101.05	389.96	7.31	-93.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(C)=C1F	REAL300000399182	1	39	-2.0	-98.59	346.82	6.43	-92.16
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(Cl)=C1	REAL300000399183	0	33	-2.0	-95.40	331.04	7.25	-88.15
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1	REAL300000399184	0	35	-2.0	-110.14	325.08	6.62	-103.52
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399185	0	37	-2.0	-98.56	347.12	5.15	-93.41
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399186	0	43	-2.0	-110.12	387.29	6.39	-103.73
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1	REAL300000399187	0	29	-2.0	-96.17	301.53	5.02	-91.15
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300000399188	0	41	-2.0	-108.69	371.48	5.39	-103.30
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000399189	1	40	-2.0	-99.82	356.47	8.27	-91.55
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399190	0	42	-2.0	-108.25	360.69	8.06	-100.19
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1	REAL300000399191	0	32	-2.0	-98.85	318.23	6.70	-92.15
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399195	1	44	-2.0	-104.16	389.23	8.66	-95.50
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1	REAL300000399196	0	32	-2.0	-95.00	332.32	7.41	-87.59
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399197	0	32	-2.0	-95.69	326.12	6.52	-89.17
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(OC)=C1	REAL300000399198	0	42	-2.0	-103.04	380.13	6.76	-96.28
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1	REAL300000399199	1	35	-2.0	-102.02	329.34	7.16	-94.86
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1	REAL300000399200	0	35	-2.0	-97.39	341.39	7.36	-90.03
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399201	1	35	-2.0	-99.04	339.86	7.57	-91.47
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1	REAL300000399202	0	35	-2.0	-98.86	335.08	5.20	-93.66
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399203	0	36	-2.0	-107.63	333.23	7.35	-100.28
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000399204	1	35	-2.0	-102.92	342.53	3.52	-99.40
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300000399206	0	40	-2.0	-97.06	366.60	7.59	-89.47
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399207	1	41	-2.0	-103.89	351.16	8.28	-95.61
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(C)=CS1	REAL300000399208	0	38	-2.0	-110.35	352.37	7.47	-102.88
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC=C1F	REAL300000399209	1	36	-2.0	-95.51	332.89	5.68	-89.83
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1	REAL300000399210	0	31	-2.0	-107.51	309.84	6.70	-100.81
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399211	0	31	-2.0	-91.90	291.56	2.71	-89.19
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)=CN=C21	REAL300000399212	1	37	-2.0	-97.43	341.51	5.43	-92.00
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300000399213	0	31	-2.0	-93.63	318.32	6.06	-87.57
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000399215	1	40	-2.0	-103.03	364.35	4.52	-98.51
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000399216	1	38	-2.0	-91.55	360.63	7.13	-84.42
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300000399217	0	36	-2.0	-105.58	325.28	5.73	-99.85
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399218	0	33	-2.0	-98.34	331.06	7.26	-91.08
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000399219	0	35	-2.0	-100.30	341.11	5.37	-94.93
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399220	1	38	-2.0	-100.31	327.40	8.01	-92.30
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399221	0	40	-2.0	-114.43	351.13	6.81	-107.62
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399223	0	35	-2.0	-106.02	316.75	7.27	-98.75
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399224	1	35	-2.0	-95.75	333.93	7.68	-88.07
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1	REAL300000399225	0	36	-2.0	-114.22	335.55	6.38	-107.84
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399226	0	45	-2.0	-100.64	388.25	7.80	-92.84
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)C=CC=C12	REAL300000399227	0	40	-2.0	-116.69	355.03	7.48	-109.21
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399229	1	36	-2.0	-105.00	348.40	3.59	-101.41
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1	REAL300000399230	0	33	-2.0	-108.26	321.93	4.60	-103.66
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399231	0	35	-2.0	-99.00	321.74	3.77	-95.23
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1OC	REAL300000399232	0	42	-2.0	-98.60	379.24	7.01	-91.59
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1)OCO2	REAL300000399234	1	38	-2.0	-98.96	338.24	5.75	-93.21
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399236	0	38	-2.0	-101.75	347.33	7.50	-94.25
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000399237	0	38	-2.0	-102.40	361.96	7.91	-94.49
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000399237	1	37	-3.0	-164.87	359.35	7.93	-156.94
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000399238	1	42	-2.0	-101.06	368.21	6.16	-94.90
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399239	0	41	-2.0	-113.96	364.25	8.61	-105.35
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399240	0	40	-2.0	-101.69	355.13	4.66	-97.03
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=C1	REAL300000399241	0	38	-2.0	-109.03	358.36	7.85	-101.18
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)S1	REAL300000399243	0	35	-2.0	-105.75	342.10	3.78	-101.97
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)S1	REAL300000399243	1	34	-3.0	-162.60	338.81	2.65	-159.95
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1F	REAL300000399244	1	39	-2.0	-101.71	358.34	5.32	-96.39
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1OC	REAL300000399245	0	40	-2.0	-100.04	368.96	6.07	-93.97
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000399246	1	36	-2.0	-98.08	342.63	5.95	-92.13
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000399247	1	35	-2.0	-92.18	341.48	7.35	-84.83
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CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC=C1C#N	REAL300000399268	1	36	-2.0	-94.95	337.14	7.19	-87.76
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COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(F)=C1	REAL300000399270	0	36	-2.0	-103.60	332.13	5.66	-97.94
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CC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)N(C)N=C1	REAL300000399277	0	35	-2.0	-95.63	314.03	4.76	-90.87
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399278	0	41	-2.0	-105.88	379.27	7.94	-97.94
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O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CSC=C2)=C1	REAL300000399281	0	29	-2.0	-98.27	288.26	5.21	-93.06
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399282	0	43	-2.0	-109.53	380.48	5.80	-103.73
CC1=CC(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000399283	0	38	-2.0	-101.73	348.05	7.28	-94.45
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000399283	1	37	-3.0	-156.62	341.62	7.40	-149.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=N1	REAL300000399284	0	35	-2.0	-95.92	324.33	2.99	-92.93
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CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399287	1	43	-2.0	-100.96	375.28	7.41	-93.55
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399288	0	41	-2.0	-103.33	374.68	9.08	-94.25
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399289	0	41	-2.0	-103.04	370.51	8.78	-94.26
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CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399291	1	44	-2.0	-107.48	395.97	8.66	-98.82
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399292	0	38	-2.0	-113.40	353.85	8.39	-105.01
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)N(C)N=C1	REAL300000399293	0	41	-2.0	-102.18	368.25	6.30	-95.88
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC=C1C	REAL300000399294	1	44	-2.0	-99.82	389.85	8.41	-91.41
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)=C2O1	REAL300000399295	0	43	-2.0	-112.98	374.88	7.52	-105.46
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CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399299	1	39	-2.0	-104.01	348.50	6.53	-97.48
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CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)C=C2C=C1	REAL300000399302	1	41	-2.0	-104.25	364.45	9.23	-95.02
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CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399304	0	32	-2.0	-100.42	310.72	5.96	-94.46
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000399305	1	45	-2.0	-106.31	393.62	6.66	-99.65
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CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399309	0	41	-2.0	-96.97	361.70	5.36	-91.61
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=N1	REAL300000399310	0	41	-2.0	-96.29	366.32	4.86	-91.43
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CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)=CC=C2NC1=O	REAL300000399323	1	41	-2.0	-98.42	368.65	6.05	-92.37
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N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1F	REAL300000399327	1	33	-2.0	-92.66	323.86	6.73	-85.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000399330	0	37	-2.0	-94.52	346.85	7.54	-86.98
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399331	0	38	-2.0	-109.28	347.43	7.67	-101.61
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CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)S1	REAL300000399339	0	35	-2.0	-101.87	326.76	6.92	-94.95
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CN=C1C	REAL300000399340	0	40	-2.0	-94.75	363.38	5.64	-89.11
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CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399342	0	34	-2.0	-93.27	324.70	5.67	-87.60
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000399343	1	38	-2.0	-95.15	351.59	7.80	-87.35
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399344	1	41	-2.0	-107.60	374.10	7.74	-99.86
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COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399353	1	39	-2.0	-99.35	368.96	6.52	-92.83
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COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1Cl	REAL300000399363	0	40	-2.0	-104.19	370.90	5.96	-98.23
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COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC=C1Cl	REAL300000399367	1	36	-2.0	-96.05	342.69	6.15	-89.90
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)S1	REAL300000399368	0	36	-2.0	-109.97	348.74	2.94	-107.03
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000399369	0	34	-3.0	-176.60	329.27	6.90	-169.70
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1	REAL300000399370	0	29	-2.0	-105.15	296.50	4.30	-100.85
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1	REAL300000399371	0	34	-2.0	-111.76	328.35	5.71	-106.05
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1	REAL300000399372	1	37	-2.0	-104.54	332.97	6.14	-98.40
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1	REAL300000399374	0	38	-2.0	-109.34	347.67	8.61	-100.73
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300000399375	0	35	-2.0	-105.45	337.32	5.36	-100.09
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399376	0	38	-2.0	-107.91	365.56	7.80	-100.11
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399378	0	35	-2.0	-102.67	324.27	7.80	-94.87
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000399379	0	36	-2.0	-99.69	341.56	6.41	-93.28
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1	REAL300000399380	0	37	-2.0	-111.06	333.46	6.12	-104.94
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1F	REAL300000399381	1	41	-2.0	-103.94	379.57	7.78	-96.16
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C2=CC=CC(C)=C2S1	REAL300000399382	0	41	-2.0	-104.04	368.24	9.29	-94.75
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(F)=C1	REAL300000399388	0	35	-2.0	-107.98	327.06	7.26	-100.72
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1	REAL300000399389	0	31	-2.0	-94.64	322.19	5.49	-89.15
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1Br	REAL300000399390	0	32	-2.0	-96.59	320.74	4.45	-92.14
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)=CC=C21	REAL300000399391	1	37	-2.0	-101.47	341.00	4.76	-96.71
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000399393	0	38	-2.0	-101.87	353.43	7.52	-94.35
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000399393	1	37	-3.0	-162.90	350.55	7.54	-155.36
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399395	0	36	-2.0	-104.66	331.81	6.14	-98.52
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=C1	REAL300000399396	1	35	-2.0	-92.78	336.75	5.40	-87.38
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000399397	1	40	-2.0	-100.32	359.60	8.13	-92.19
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399398	0	48	-2.0	-109.60	401.61	8.39	-101.21
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1Cl	REAL300000399400	0	35	-2.0	-93.09	340.41	3.53	-89.56
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399401	0	31	-2.0	-93.40	295.91	4.20	-89.20
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000399402	1	36	-2.0	-97.58	346.89	4.44	-93.14
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CC=C1Cl	REAL300000399403	1	35	-2.0	-96.76	332.63	7.40	-89.36
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1	REAL300000399404	1	38	-2.0	-110.30	345.24	7.29	-103.01
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399405	0	41	-2.0	-106.74	377.70	7.65	-99.09
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C([N+](=O)[O-])S1	REAL300000399406	0	34	-2.0	-107.51	331.73	7.49	-100.02
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399407	1	37	-2.0	-115.54	338.90	2.23	-113.31
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1	REAL300000399408	1	35	-2.0	-96.80	339.15	4.49	-92.31
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000399409	0	31	-2.0	-104.30	297.65	4.47	-99.83
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1	REAL300000399412	0	31	-2.0	-92.90	298.56	4.46	-88.44
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=C1	REAL300000399414	0	34	-2.0	-100.17	347.74	6.28	-93.89
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=CS1	REAL300000399415	0	30	-2.0	-104.76	307.55	5.70	-99.06
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399416	0	39	-2.0	-104.76	364.92	8.04	-96.72
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1	REAL300000399419	1	32	-2.0	-93.56	319.75	6.87	-86.69
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1	REAL300000399420	0	41	-2.0	-108.27	358.84	6.65	-101.62
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=C1	REAL300000399421	1	39	-2.0	-106.27	362.25	4.16	-102.11
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1	REAL300000399422	0	40	-2.0	-110.46	349.34	7.50	-102.96
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399423	0	42	-2.0	-102.05	373.08	5.22	-96.83
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(F)=C1	REAL300000399424	0	41	-2.0	-100.28	379.26	7.95	-92.33
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399430	1	39	-2.0	-111.85	353.08	3.74	-108.11
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)=C1	REAL300000399433	1	44	-2.0	-101.45	381.22	7.75	-93.70
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)=C2)=N1	REAL300000399434	1	44	-2.0	-103.74	390.20	6.20	-97.54
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)N(C)N=C1	REAL300000399435	0	38	-2.0	-101.92	346.38	5.37	-96.55
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1C	REAL300000399436	1	43	-2.0	-103.69	382.87	5.49	-98.20
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399437	0	37	-2.0	-89.63	352.89	8.13	-81.50
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)=C1	REAL300000399440	0	39	-2.0	-109.04	363.63	8.09	-100.95
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)N1C	REAL300000399441	0	35	-2.0	-99.73	315.46	5.32	-94.41
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1F	REAL300000399442	0	38	-2.0	-102.86	361.95	7.04	-95.82
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399443	1	45	-2.0	-101.80	387.19	7.96	-93.84
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=C1	REAL300000399446	0	45	-2.0	-98.51	398.08	8.62	-89.89
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1F	REAL300000399447	0	37	-2.0	-105.65	342.39	8.40	-97.25
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CN1CC1CC1	REAL300000399448	0	45	-2.0	-112.21	396.02	8.24	-103.97
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)O1	REAL300000399449	0	38	-2.0	-97.31	354.59	5.68	-91.63
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)C=C2C1	REAL300000399450	1	43	-2.0	-107.53	380.94	6.80	-100.73
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300000399451	0	35	-2.0	-98.85	336.90	5.79	-93.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(C)=C1[N+](=O)[O-]	REAL300000399452	1	40	-2.0	-98.23	360.78	8.63	-89.60
O=C([O-])C=CC1=CC=CC(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000399453	0	41	-2.0	-123.82	373.11	8.86	-114.96
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000399453	1	40	-3.0	-179.40	366.66	8.98	-170.42
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399454	0	35	-2.0	-89.90	338.76	4.91	-84.99
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1	REAL300000399455	0	31	-2.0	-97.72	314.50	4.90	-92.82
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000399456	1	42	-2.0	-111.97	363.25	9.70	-102.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(F)=C1F	REAL300000399458	0	35	-2.0	-104.42	329.28	7.07	-97.35
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)OC=C1	REAL300000399459	0	35	-2.0	-109.91	333.41	5.32	-104.59
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=N1	REAL300000399461	0	34	-2.0	-113.88	325.51	5.19	-108.69
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(C)=N1	REAL300000399462	0	44	-2.0	-99.81	385.06	7.06	-92.75
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000399464	0	33	-3.0	-165.08	322.60	4.91	-160.17
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399465	0	36	-2.0	-100.89	329.88	6.44	-94.45
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1F	REAL300000399467	1	44	-2.0	-99.03	375.37	8.56	-90.47
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399468	1	33	-2.0	-93.44	324.39	6.76	-86.68
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1C(F)(F)F	REAL300000399470	0	35	-2.0	-96.98	330.29	4.92	-92.06
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1	REAL300000399471	0	34	-2.0	-112.77	320.32	5.48	-107.29
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1	REAL300000399471	1	34	-2.0	-100.58	320.42	5.34	-95.24
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1	REAL300000399472	0	36	-2.0	-108.55	330.89	6.26	-102.29
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399473	0	42	-2.0	-98.97	358.13	6.42	-92.55
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300000399474	0	44	-2.0	-98.86	365.57	6.92	-91.94
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1	REAL300000399476	0	42	-2.0	-99.43	364.55	6.65	-92.78
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399477	0	35	-2.0	-93.87	331.47	5.19	-88.68
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(Br)=N1	REAL300000399478	0	32	-2.0	-100.24	322.40	4.51	-95.73
O=C([O-])C=CC1=CC=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300000399482	0	33	-2.0	-94.34	312.44	4.90	-89.44
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1	REAL300000399482	1	33	-2.0	-99.51	313.34	4.06	-95.45
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000399483	1	42	-2.0	-101.33	374.37	9.07	-92.26
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399484	0	35	-2.0	-114.06	328.16	3.95	-110.11
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399485	0	38	-2.0	-99.98	339.97	5.46	-94.52
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1F	REAL300000399486	1	37	-2.0	-101.67	342.94	6.80	-94.87
NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=N1	REAL300000399487	0	32	-2.0	-95.19	302.36	3.65	-91.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(C#N)=C1	REAL300000399488	0	36	-2.0	-107.97	336.65	7.24	-100.73
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399489	0	36	-2.0	-106.97	328.73	7.53	-99.44
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000399490	1	35	-2.0	-96.18	333.83	7.19	-88.99
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000399493	1	39	-2.0	-105.17	360.91	8.25	-96.92
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399495	0	32	-2.0	-92.77	316.40	2.10	-90.67
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000399497	0	28	-2.0	-95.05	283.89	4.00	-91.05
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399500	0	38	-3.0	-160.99	353.81	6.67	-154.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399500	1	39	-2.0	-97.59	354.31	6.19	-91.40
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C(C(N)=O)O1	REAL300000399501	0	36	-2.0	-100.20	336.69	1.91	-98.29
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399502	1	41	-2.0	-100.51	348.87	8.79	-91.72
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O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000399505	0	31	-3.0	-156.12	325.76	5.84	-150.28
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1	REAL300000399506	1	37	-2.0	-109.81	333.39	6.80	-103.01
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399507	0	39	-2.0	-106.06	359.88	6.43	-99.63
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CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)N=N1	REAL300000399509	0	31	-2.0	-106.30	296.10	2.62	-103.68
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399510	0	35	-2.0	-93.39	351.71	5.57	-87.82
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O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1	REAL300000399512	0	39	-2.0	-98.48	344.03	6.17	-92.31
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O=C([O-])C=CC1=CC=CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300000399514	0	33	-2.0	-92.64	338.82	5.84	-86.80
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300000399514	1	32	-3.0	-177.69	336.09	5.92	-171.77
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)C=NN2C1	REAL300000399515	0	43	-2.0	-106.62	372.20	4.31	-102.31
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000399516	0	38	-2.0	-101.02	364.00	7.20	-93.82
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000399517	1	38	-2.0	-99.19	347.88	3.53	-95.66
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1	REAL300000399518	0	29	-2.0	-100.11	301.26	4.89	-95.22
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1F	REAL300000399519	1	36	-2.0	-92.41	343.02	5.85	-86.56
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1	REAL300000399520	0	39	-2.0	-103.65	341.53	6.31	-97.34
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1F	REAL300000399521	0	36	-2.0	-99.44	338.35	5.74	-93.70
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399523	0	42	-2.0	-105.97	371.58	7.69	-98.28
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399524	0	35	-2.0	-97.84	320.20	7.00	-90.84
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)=C2O1	REAL300000399525	0	40	-2.0	-112.10	354.39	6.88	-105.22
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)S1	REAL300000399526	0	40	-2.0	-99.04	365.82	5.95	-93.09
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)C=C2)CC1	REAL300000399527	1	40	-2.0	-103.42	365.39	8.50	-94.92
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399528	0	36	-2.0	-103.51	337.11	6.91	-96.60
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=C1	REAL300000399529	0	38	-2.0	-106.93	350.83	6.92	-100.01
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1	REAL300000399530	0	29	-2.0	-99.07	302.60	5.73	-93.34
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399531	0	32	-2.0	-91.21	318.09	4.47	-86.74
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1	REAL300000399532	0	34	-2.0	-92.93	331.31	5.49	-87.44
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399533	0	37	-2.0	-115.13	337.84	5.91	-109.22
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399534	0	34	-2.0	-91.16	311.07	3.64	-87.52
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1	REAL300000399536	1	33	-2.0	-91.85	312.04	5.08	-86.77
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1	REAL300000399537	0	35	-2.0	-103.55	336.00	7.73	-95.82
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1	REAL300000399538	0	35	-2.0	-114.67	342.06	6.00	-108.67
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399539	0	39	-2.0	-96.15	348.08	6.06	-90.09
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(C)=C1F	REAL300000399540	1	41	-2.0	-98.86	352.89	8.65	-90.21
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1OC	REAL300000399541	0	40	-2.0	-105.42	352.87	6.22	-99.20
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000399542	1	41	-2.0	-108.69	365.48	3.52	-105.17
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1	REAL300000399543	0	35	-2.0	-103.93	326.92	6.58	-97.35
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1OC	REAL300000399544	0	40	-2.0	-108.55	360.10	6.56	-101.99
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000399545	0	45	-2.0	-103.31	385.93	7.20	-96.11
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C2=CC=CC=C2S1	REAL300000399546	0	36	-2.0	-105.32	348.00	8.23	-97.09
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(C2CC2)=N1	REAL300000399547	0	39	-2.0	-102.41	352.45	6.22	-96.19
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1	REAL300000399549	0	35	-2.0	-108.83	326.58	5.51	-103.32
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)C=CC=C21	REAL300000399550	0	37	-2.0	-118.45	341.70	4.70	-113.75
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)=C21	REAL300000399551	0	39	-2.0	-102.69	337.83	8.27	-94.42
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CN=C1N	REAL300000399552	1	36	-2.0	-101.37	325.18	4.00	-97.37
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399553	0	32	-2.0	-99.44	314.47	2.16	-97.28
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)N=CN1	REAL300000399554	0	32	-2.0	-110.29	296.07	4.37	-105.92
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1	REAL300000399556	1	35	-2.0	-100.03	330.87	6.68	-93.35
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000399557	0	42	-2.0	-102.68	368.70	6.71	-95.97
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399558	1	50	-2.0	-104.92	411.39	10.21	-94.71
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1	REAL300000399559	0	29	-2.0	-98.61	302.99	5.84	-92.77
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1	REAL300000399560	0	42	-2.0	-100.08	371.15	6.94	-93.14
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1	REAL300000399561	0	36	-2.0	-105.67	335.29	7.41	-98.26
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000399562	1	45	-2.0	-110.23	386.96	4.70	-105.53
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000399563	0	41	-2.0	-124.75	362.59	7.51	-117.24
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399564	1	41	-2.0	-103.05	361.54	8.51	-94.54
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399565	0	38	-2.0	-94.48	352.43	4.70	-89.78
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399566	0	33	-2.0	-103.78	321.66	6.65	-97.13
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399567	0	39	-2.0	-99.61	341.82	5.88	-93.73
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000399568	0	36	-2.0	-89.51	353.60	7.64	-81.87
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399571	0	41	-2.0	-94.54	344.14	6.20	-88.34
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=N1	REAL300000399572	0	41	-2.0	-100.36	361.65	6.02	-94.34
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1	REAL300000399573	0	39	-2.0	-99.90	345.67	5.41	-94.49
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000399574	0	37	-2.0	-92.83	348.07	6.12	-86.71
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=N1	REAL300000399575	0	43	-2.0	-99.32	371.43	7.12	-92.20
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=C1	REAL300000399576	0	34	-2.0	-87.28	336.18	7.05	-80.23
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=C1	REAL300000399577	1	35	-2.0	-93.00	342.29	7.36	-85.64
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1	REAL300000399578	1	35	-2.0	-101.30	325.15	7.11	-94.19
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1	REAL300000399579	0	32	-2.0	-100.20	318.68	6.68	-93.52
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1	REAL300000399580	0	32	-2.0	-93.98	328.89	6.40	-87.58
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399581	0	35	-2.0	-95.77	319.33	4.51	-91.26
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1C	REAL300000399583	1	38	-2.0	-102.49	329.64	7.60	-94.89
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1	REAL300000399584	0	35	-2.0	-100.46	324.94	7.31	-93.15
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399585	1	43	-2.0	-110.99	381.73	8.33	-102.66
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)=CC=C21	REAL300000399587	1	42	-2.0	-105.18	377.39	7.99	-97.19
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399589	0	37	-2.0	-99.11	355.92	6.78	-92.33
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000399590	1	41	-2.0	-102.30	375.57	7.93	-94.37
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1Cl	REAL300000399591	0	33	-2.0	-101.37	329.77	7.15	-94.22
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1	REAL300000399592	0	32	-2.0	-101.11	317.16	6.53	-94.58
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1	REAL300000399593	1	39	-2.0	-103.12	346.37	8.40	-94.72
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=CS1	REAL300000399594	0	33	-2.0	-104.98	319.41	4.73	-100.25
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=C1	REAL300000399595	0	35	-2.0	-99.63	329.42	7.75	-91.88
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399596	0	38	-2.0	-97.34	363.33	6.64	-90.70
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1	REAL300000399597	0	39	-2.0	-104.64	351.87	8.46	-96.18
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1	REAL300000399598	0	42	-2.0	-97.45	361.96	6.90	-90.55
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399599	0	41	-2.0	-96.66	357.10	6.20	-90.46
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1	REAL300000399600	1	41	-2.0	-107.54	368.38	3.82	-103.72
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399602	0	35	-2.0	-108.32	351.09	2.80	-105.52
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC(C=CC(=O)[O-])=C3)C2=N1	REAL300000399603	0	37	-2.0	-111.06	340.75	4.66	-106.40
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)O1	REAL300000399604	0	35	-2.0	-101.51	323.23	5.90	-95.61
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COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C1C	REAL300000399679	0	38	-2.0	-96.76	344.47	3.71	-93.05
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COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(=O)[O-])=C1	REAL300000399711	0	38	-2.0	-116.87	346.49	7.84	-109.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C2=NC=CC=C12	REAL300000399712	0	40	-2.0	-117.18	354.88	7.45	-109.73
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000399713	0	37	-3.0	-161.62	347.74	6.85	-154.77
CCC1=C(S(=O)(=O)NC2=CC=CC(C=CC(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000399713	1	38	-2.0	-102.14	350.43	6.29	-95.85
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399714	0	45	-2.0	-110.40	386.58	8.29	-102.11
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)C=C(Cl)S1	REAL300000399715	0	32	-2.0	-94.95	322.42	6.69	-88.26
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000399716	0	28	-2.0	-97.25	283.74	3.42	-93.83
O=C([O-])C=CC1=CC=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1	REAL300000399717	0	39	-2.0	-101.53	342.88	5.61	-95.92
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(=O)[O-])=C2)=C1	REAL300000399718	0	35	-2.0	-106.42	324.06	7.02	-99.40
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000399719	0	36	-2.0	-99.00	342.58	4.79	-94.21
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000399720	0	36	-2.0	-89.37	338.02	4.76	-84.61
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000399721	0	36	-2.0	-100.92	338.05	4.75	-96.17
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000399722	0	40	-2.0	-106.26	366.19	4.55	-101.71
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000399723	0	40	-2.0	-89.55	369.49	6.05	-83.50
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000399724	0	39	-2.0	-103.20	358.11	5.40	-97.80
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000399725	0	36	-2.0	-97.12	351.11	5.33	-91.79
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000399726	0	36	-2.0	-97.03	350.55	5.15	-91.88
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=N1	REAL300000399727	0	42	-2.0	-104.25	370.44	6.07	-98.18
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000399728	0	36	-2.0	-98.15	343.52	4.82	-93.33
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000399729	0	42	-2.0	-88.67	381.61	6.35	-82.32
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000399730	0	33	-2.0	-95.45	331.23	3.77	-91.68
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300000399731	0	39	-2.0	-102.55	353.48	5.54	-97.01
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000399732	0	40	-2.0	-88.16	369.11	5.04	-83.12
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000399733	0	37	-2.0	-99.32	344.68	4.10	-95.22
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=N1	REAL300000399734	0	40	-2.0	-103.04	362.25	3.58	-99.46
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=N1	REAL300000399735	0	36	-2.0	-91.76	347.16	4.44	-87.32
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=N1	REAL300000399736	0	42	-2.0	-103.55	369.50	6.07	-97.48
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000399737	0	33	-2.0	-96.95	329.69	3.79	-93.16
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000399738	0	40	-2.0	-106.75	365.32	4.82	-101.93
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=N1	REAL300000399739	0	45	-2.0	-104.50	391.95	6.77	-97.73
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=N1	REAL300000399740	0	42	-2.0	-101.45	368.17	6.48	-94.97
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=N1	REAL300000399741	0	43	-2.0	-106.05	388.48	5.31	-100.74
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000399742	0	38	-3.0	-173.63	366.45	5.32	-168.31
CCOC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000399742	1	39	-2.0	-111.67	368.89	5.32	-106.35
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000399743	0	43	-2.0	-106.04	382.29	6.65	-99.39
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=N1	REAL300000399744	0	36	-2.0	-95.72	341.05	3.89	-91.83
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=N1	REAL300000399745	0	40	-2.0	-102.01	367.03	3.84	-98.17
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=N1	REAL300000399746	0	43	-2.0	-88.50	389.19	5.75	-82.75
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=N1	REAL300000399747	0	39	-2.0	-93.41	358.77	5.57	-87.84
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000399748	0	40	-2.0	-88.06	375.34	5.10	-82.96
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)C=N1	REAL300000399749	0	43	-2.0	-107.36	387.18	5.73	-101.63
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=N1	REAL300000399750	0	36	-2.0	-99.14	346.64	4.65	-94.49
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000399751	0	36	-2.0	-87.11	351.09	5.32	-81.79
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000399752	0	36	-2.0	-89.15	342.56	4.80	-84.35
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000399753	0	33	-2.0	-90.71	330.31	3.88	-86.83
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000399754	0	36	-2.0	-92.14	344.45	4.82	-87.32
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=N1	REAL300000399755	0	39	-2.0	-99.36	363.79	5.45	-93.91
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000399756	0	36	-2.0	-88.36	343.51	4.83	-83.53
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000399757	0	36	-2.0	-87.09	350.53	5.16	-81.93
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=N1	REAL300000399758	0	39	-2.0	-95.01	367.49	5.96	-89.05
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000399759	0	36	-2.0	-90.84	348.86	4.85	-85.99
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000399760	0	38	-2.0	-86.64	366.23	5.43	-81.21
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000399761	0	37	-2.0	-101.63	347.76	2.47	-99.16
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000399762	0	39	-2.0	-92.75	360.21	5.54	-87.21
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000399763	0	39	-2.0	-97.08	348.12	5.39	-91.69
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000399764	0	39	-2.0	-100.05	362.88	5.41	-94.64
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000399765	0	39	-2.0	-89.91	353.46	5.54	-84.37
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000399766	0	42	-2.0	-104.92	374.84	5.92	-99.00
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000399767	0	38	-2.0	-100.28	364.60	5.84	-94.44
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000399768	0	36	-2.0	-90.04	349.80	4.88	-85.16
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000399769	0	42	-2.0	-101.24	372.52	6.14	-95.10
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=N1	REAL300000399770	0	39	-2.0	-99.06	359.51	5.36	-93.70
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=N1	REAL300000399771	0	39	-2.0	-98.66	369.83	5.89	-92.77
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=N1	REAL300000399772	0	39	-2.0	-104.95	363.06	5.45	-99.50
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=N1	REAL300000399773	0	42	-2.0	-102.41	372.28	5.94	-96.47
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=N1	REAL300000399774	0	43	-2.0	-102.99	388.51	4.89	-98.10
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=N1	REAL300000399775	0	39	-2.0	-91.57	368.58	6.01	-85.56
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000399776	0	39	-2.0	-98.54	369.27	5.71	-92.83
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=N1	REAL300000399777	0	40	-2.0	-100.48	366.07	4.97	-95.51
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000399778	0	39	-2.0	-95.39	371.78	5.82	-89.57
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000399779	0	39	-2.0	-89.31	354.05	5.30	-84.01
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=N1	REAL300000399780	0	39	-2.0	-100.45	358.00	5.57	-94.88
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000399781	0	38	-2.0	-107.83	361.77	6.60	-101.23
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000399782	0	36	-2.0	-104.41	341.66	4.78	-99.63
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000399783	0	39	-2.0	-93.74	362.98	5.43	-88.31
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000399784	0	35	-2.0	-98.27	334.26	2.88	-95.39
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=N1	REAL300000399785	0	40	-2.0	-93.12	366.25	4.55	-88.57
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000399786	0	33	-2.0	-89.58	338.19	3.73	-85.85
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000399787	0	43	-2.0	-95.82	384.17	6.64	-89.18
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000399788	0	43	-2.0	-98.05	383.49	6.63	-91.42
CCOC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=N1	REAL300000399789	0	39	-2.0	-95.81	360.17	4.74	-91.07
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C1	REAL300000399790	0	38	-2.0	-108.78	350.66	4.28	-104.50
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C1	REAL300000399791	0	37	-2.0	-104.25	349.33	5.37	-98.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1OCC(F)(F)F	REAL300000399793	0	32	-2.0	-111.33	326.34	5.45	-105.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC=C1OCC(F)(F)F	REAL300000399795	1	35	-2.0	-110.11	340.81	6.51	-103.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300000399798	0	35	-2.0	-112.39	348.22	6.24	-106.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC=C1OCC(F)(F)F	REAL300000399801	0	35	-2.0	-117.64	339.91	6.51	-111.13
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000399802	0	35	-2.0	-110.48	338.95	4.15	-106.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2)=CC=C1OCC(F)(F)F	REAL300000399803	0	32	-2.0	-107.91	315.99	2.84	-105.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC=C1OCC(F)(F)F	REAL300000399804	0	34	-2.0	-104.51	335.83	4.72	-99.79
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000399805	0	35	-2.0	-122.78	338.59	5.54	-117.24
CC1=NC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)=CN1C	REAL300000399806	0	38	-2.0	-122.08	357.94	5.34	-116.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000399807	0	38	-2.0	-110.80	360.49	5.00	-105.80
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C1	REAL300000399808	0	35	-2.0	-108.52	334.82	3.50	-105.02
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300000399811	0	35	-2.0	-118.58	339.25	3.98	-114.60
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C1	REAL300000399812	0	35	-2.0	-105.79	334.64	4.07	-101.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC=N2)=CC=C1OCC(F)(F)F	REAL300000399817	0	32	-2.0	-118.85	315.71	3.84	-115.01
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)SC=C1	REAL300000399819	0	35	-2.0	-113.82	345.17	6.08	-107.74
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300000399829	0	34	-2.0	-109.28	342.94	4.26	-105.02
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)=C(C)O1	REAL300000399833	0	38	-2.0	-110.59	357.38	6.02	-104.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300000399834	0	35	-2.0	-112.59	339.01	5.26	-107.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CO2)=CC=C1OCC(F)(F)F	REAL300000399836	0	32	-2.0	-111.48	317.09	4.44	-107.04
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C1	REAL300000399837	0	34	-2.0	-101.43	328.87	2.85	-98.58
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)C(N)=NO1	REAL300000399841	0	36	-2.0	-103.91	340.84	3.85	-100.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000399843	1	37	-2.0	-110.58	351.01	5.27	-105.31
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000399846	0	38	-2.0	-106.63	351.28	4.91	-101.72
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300000399847	0	33	-2.0	-105.21	338.33	4.98	-100.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2)=CC=C1OCC(F)(F)F	REAL300000399848	1	32	-2.0	-109.38	325.52	5.35	-104.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC=C2)=CC=C1OCC(F)(F)F	REAL300000399849	0	32	-2.0	-109.97	316.94	4.33	-105.64
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000399850	0	35	-2.0	-111.38	347.97	6.11	-105.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC=C1OCC(F)(F)F	REAL300000399851	0	32	-2.0	-109.29	332.72	3.25	-106.04
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000399852	0	34	-2.0	-105.97	342.90	4.74	-101.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC=C1OCC(F)(F)F	REAL300000399854	0	32	-2.0	-112.54	332.68	5.48	-107.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NC=CN2)=CC=C1OCC(F)(F)F	REAL300000399857	0	32	-2.0	-113.56	316.03	3.02	-110.54
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)C=NN1C	REAL300000399860	0	38	-2.0	-110.61	355.05	4.67	-105.94
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C1	REAL300000399861	0	38	-2.0	-111.39	357.79	4.80	-106.59
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C1	REAL300000399866	0	34	-2.0	-104.18	333.16	4.34	-99.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC=C1OCC(F)(F)F	REAL300000399867	0	34	-2.0	-115.71	334.91	4.63	-111.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC=C1OCC(F)(F)F	REAL300000399869	1	34	-2.0	-103.63	335.83	4.60	-99.03
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)N1C	REAL300000399872	0	38	-2.0	-112.78	354.54	5.45	-107.33
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000399874	0	35	-2.0	-106.12	339.62	3.80	-102.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC=C1OCC(F)(F)F	REAL300000399875	0	31	-2.0	-105.72	321.15	4.15	-101.57
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)N=N1	REAL300000399876	0	34	-2.0	-118.46	333.35	2.77	-115.69
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C1	REAL300000399877	0	37	-2.0	-101.85	348.33	3.78	-98.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)N=CN1	REAL300000399878	0	35	-2.0	-122.64	334.79	4.47	-118.17
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000399880	0	38	-2.0	-106.58	356.58	4.66	-101.92
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300000399882	0	38	-2.0	-112.49	360.49	6.04	-106.45
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300000399883	0	37	-2.0	-110.69	355.12	3.31	-107.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC=C1OCC(F)(F)F	REAL300000399884	0	32	-2.0	-106.78	334.15	5.06	-101.72
CC1=COC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000399885	0	35	-2.0	-111.79	338.99	5.11	-106.68
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)OC=C1	REAL300000399886	0	33	-2.0	-113.02	336.25	4.91	-108.11
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC=C1OCC(F)(F)F	REAL300000399887	0	32	-2.0	-109.27	333.21	4.95	-104.32
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(C(=O)[O-])=C2)C=CO1	REAL300000399888	0	33	-2.0	-113.23	337.36	4.86	-108.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC=C1OCC(F)(F)F	REAL300000399889	1	36	-2.0	-113.83	345.43	3.58	-110.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC=C1OCC(F)(F)F	REAL300000399890	0	31	-2.0	-104.01	320.06	4.05	-99.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC=C1OCC(F)(F)F	REAL300000399891	0	31	-2.0	-108.13	320.98	3.56	-104.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)=CC=C1F	REAL300000399892	0	42	-2.0	-104.41	371.43	7.35	-97.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)C=C1	REAL300000399893	0	42	-2.0	-94.65	365.92	7.33	-87.32
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)=C1	REAL300000399894	0	42	-2.0	-106.60	366.89	7.32	-99.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)C=C1C(=O)[O-]	REAL300000399895	0	45	-2.0	-108.27	382.99	7.85	-100.42
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)=C1	REAL300000399896	0	42	-2.0	-103.63	372.37	7.37	-96.26
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)=C1	REAL300000399897	0	39	-2.0	-100.94	360.08	6.33	-94.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC1CCCC1	REAL300000399898	0	45	-2.0	-107.29	381.36	8.10	-99.19
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)C=C1C(=O)[O-]	REAL300000399899	0	43	-2.0	-105.06	373.53	6.66	-98.40
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)=C1	REAL300000399900	0	42	-2.0	-97.77	375.04	7.00	-90.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)=CS1	REAL300000399901	0	39	-2.0	-102.71	358.54	6.35	-96.36
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)C=C(C(=O)[O-])O1	REAL300000399902	0	42	-2.0	-100.15	369.90	6.45	-93.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)C=C(C(=O)[O-])S1	REAL300000399903	0	42	-2.0	-103.38	375.52	7.21	-96.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)C=C1F	REAL300000399904	0	42	-2.0	-93.87	371.41	7.36	-86.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)S1	REAL300000399905	0	39	-2.0	-96.50	358.18	6.45	-90.05
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)=C1	REAL300000399906	0	42	-2.0	-98.25	372.33	7.38	-90.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)C(F)=C1	REAL300000399907	0	42	-2.0	-94.26	371.38	7.39	-86.87
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)=C1	REAL300000399908	0	43	-2.0	-105.48	376.61	5.03	-100.45
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)C=C1	REAL300000399909	0	45	-2.0	-97.85	388.10	8.10	-89.75
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC1CCCC1	REAL300000399910	0	45	-2.0	-103.61	377.06	7.95	-95.66
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC1CCCC1	REAL300000399911	0	45	-2.0	-94.21	382.31	8.09	-86.12
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)C=C1C(=O)[O-]	REAL300000399912	0	46	-2.0	-106.40	394.91	7.53	-98.87
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)=CC=C1C(=O)[O-]	REAL300000399913	0	45	-2.0	-96.50	386.02	7.98	-88.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)=C1F	REAL300000399914	0	42	-2.0	-111.58	370.53	7.33	-104.25
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)=C1	REAL300000399915	0	41	-2.0	-104.69	363.10	5.43	-99.26
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCCC2)C=C(C(=O)[O-])O1	REAL300000399916	0	45	-2.0	-99.80	389.02	7.30	-92.50
CC1=CC=NC(OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300000399918	1	40	-2.0	-111.38	368.52	3.94	-107.44
CC1=CC=NC(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)=N1	REAL300000399920	0	37	-2.0	-105.60	361.68	2.97	-102.63
CC1=CC=NC(OC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000399922	1	41	-2.0	-109.83	375.15	3.30	-106.53
CC1=CC=NC(OC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)=N1	REAL300000399923	1	37	-2.0	-107.12	360.39	3.00	-104.12
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=NC(C)=CC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000399924	0	40	-2.0	-105.48	371.54	3.09	-102.39
CC1=CC=NC(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)=N1	REAL300000399925	0	37	-2.0	-100.33	360.76	3.08	-97.25
CC1=CC=NC(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)=N1	REAL300000399926	1	43	-2.0	-102.39	390.91	4.75	-97.64
CC1=CC=NC(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=N1	REAL300000399930	0	39	-2.0	-108.32	364.95	2.08	-106.24
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2Br)=C1	REAL300000399935	1	28	-2.0	-100.56	297.86	5.83	-94.73
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC=C2Br)=C1	REAL300000399936	1	25	-2.0	-97.60	285.58	4.78	-92.82
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC=C2Br)=C1	REAL300000399939	1	28	-2.0	-93.81	301.50	5.44	-88.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2Br)S1	REAL300000399944	1	25	-2.0	-92.70	284.65	4.89	-87.81
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=CC=C2Br)=C1	REAL300000399947	0	29	-2.0	-108.51	296.32	3.83	-104.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2Br)=C1F	REAL300000399953	1	28	-2.0	-106.67	296.02	5.79	-100.88
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC=C2Br)=C1	REAL300000399954	0	27	-2.0	-100.60	289.36	3.82	-96.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2Br)=C(Cl)O1	REAL300000399955	1	25	-2.0	-91.46	292.52	4.73	-86.73
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000399957	0	41	-2.0	-116.60	372.63	7.90	-108.70
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000399958	0	41	-2.0	-106.14	368.12	7.88	-98.26
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000399959	0	41	-2.0	-119.60	368.10	7.87	-111.73
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000399960	0	45	-2.0	-105.79	399.55	9.17	-96.62
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000399961	0	44	-2.0	-122.09	388.17	8.52	-113.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(C)C3=CC=CC=C3)C=C2)=C1C	REAL300000399962	0	47	-2.0	-122.79	401.20	9.19	-113.60
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000399963	0	41	-2.0	-117.24	373.58	7.94	-109.30
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000399964	0	47	-2.0	-105.37	411.72	9.47	-95.90
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000399965	0	38	-2.0	-113.38	361.33	6.90	-106.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C2=CC=CC=C2)C=C1	REAL300000399966	0	44	-2.0	-120.86	383.53	8.65	-112.21
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000399967	0	42	-2.0	-117.75	374.78	7.22	-110.53
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C(C)C3=CC=CC=C3)C=C2)=C1	REAL300000399968	0	41	-2.0	-109.26	377.25	7.56	-101.70
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C(C)C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000399969	0	47	-2.0	-122.21	399.59	9.19	-113.02
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000399970	0	38	-2.0	-114.90	359.75	6.91	-107.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C2=CC=CC=C2)C=C1	REAL300000399971	0	47	-2.0	-119.12	398.25	9.60	-109.52
CC1=C(S(=O)(=O)[N-]C2=NN(C(C)C3=CC=CC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000399972	0	41	-2.0	-113.04	371.11	7.02	-106.02
CC1=C(S(=O)(=O)[N-]C2=NN(C(C)C3=CC=CC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000399973	0	41	-2.0	-116.84	376.73	7.77	-109.07
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000399974	0	41	-2.0	-105.41	372.61	7.91	-97.50
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000399975	0	38	-2.0	-107.91	360.35	7.00	-100.91
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000399976	0	41	-2.0	-109.92	374.53	7.94	-101.98
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000399977	0	41	-2.0	-105.66	373.56	7.95	-97.71
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000399978	0	42	-2.0	-119.81	377.81	5.59	-114.22
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000399979	0	44	-2.0	-110.42	390.32	8.66	-101.76
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C(C)C2=CC=CC=C2)C=C1	REAL300000399980	0	44	-2.0	-115.05	378.17	8.50	-106.55
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C(C)C2=CC=CC=C2)C=C1	REAL300000399981	0	44	-2.0	-106.43	383.54	8.65	-97.78
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C3=CC=CC=C3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000399982	0	47	-2.0	-122.76	401.59	8.96	-113.80
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C3=CC=CC=C3)C=C2)C(C)=C1C(=O)[O-]	REAL300000399983	0	47	-2.0	-119.30	402.58	9.25	-110.05
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000399984	0	47	-2.0	-121.64	402.03	9.06	-112.58
CCN1C=C(S(=O)(=O)[N-]C2=NN(C(C)C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000399985	0	45	-2.0	-119.11	396.13	8.10	-111.01
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C3=CC=CC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300000399986	0	44	-2.0	-106.34	384.11	8.42	-97.92
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000399987	0	41	-2.0	-123.10	371.74	7.90	-115.20
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000399988	0	40	-2.0	-117.33	364.32	6.00	-111.33
CC(C1=CC=CC=C1)N1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000399989	0	38	-2.0	-106.53	368.21	6.84	-99.69
CCC1=C(S(=O)(=O)[N-]C2=NN(C(C)C3=CC=CC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000399990	0	44	-2.0	-112.87	390.23	7.87	-105.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=CC=C1F	REAL300000399991	0	35	-2.0	-116.56	334.31	5.63	-110.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1	REAL300000399992	0	35	-2.0	-106.40	329.76	5.61	-100.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1	REAL300000399993	0	35	-2.0	-119.45	329.78	5.60	-113.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(F)F	REAL300000399994	0	39	-2.0	-124.11	357.92	5.40	-118.71
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1	REAL300000399995	0	39	-2.0	-105.06	361.23	6.88	-98.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000399996	0	38	-2.0	-120.86	345.80	6.12	-114.74
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1	REAL300000399997	0	35	-2.0	-113.87	342.85	6.18	-107.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=CC=C1Cl	REAL300000399998	0	35	-2.0	-115.10	342.28	5.99	-109.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1C	REAL300000399999	0	41	-2.0	-121.02	362.89	6.92	-114.10
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1	REAL300000400000	0	35	-2.0	-116.20	335.25	5.66	-110.54
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1	REAL300000400001	0	41	-2.0	-104.41	373.35	7.17	-97.24
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1	REAL300000400002	0	32	-2.0	-113.59	322.96	4.61	-108.98
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(F)F	REAL300000400003	0	38	-2.0	-119.09	345.21	6.38	-112.71
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1	REAL300000400004	0	39	-2.0	-103.86	360.85	5.88	-97.98
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000400005	0	36	-2.0	-117.78	336.43	4.94	-112.84
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(F)F	REAL300000400006	0	39	-2.0	-119.50	353.56	4.43	-115.07
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1	REAL300000400007	0	35	-2.0	-109.71	338.92	5.27	-104.44
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000400008	0	41	-2.0	-120.51	361.23	6.91	-113.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=CS1	REAL300000400009	0	32	-2.0	-114.89	321.43	4.63	-110.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000400010	0	39	-2.0	-125.34	357.06	5.67	-119.67
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(F)F	REAL300000400011	0	44	-2.0	-121.25	383.68	7.61	-113.64
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(F)F	REAL300000400012	0	41	-2.0	-116.47	359.90	7.33	-109.14
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1	REAL300000400013	0	42	-2.0	-123.79	374.02	7.49	-116.30
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C(C(=O)[O-])O1	REAL300000400014	0	35	-2.0	-112.37	332.78	4.73	-107.64
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1	REAL300000400015	0	39	-2.0	-120.56	358.75	4.68	-115.88
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(F)F	REAL300000400016	0	38	-2.0	-109.67	350.50	6.40	-103.27
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C(C(=O)[O-])S1	REAL300000400017	0	35	-2.0	-115.42	338.40	5.49	-109.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C(Cl)=C1	REAL300000400018	0	35	-2.0	-103.66	342.83	6.16	-97.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1F	REAL300000400019	0	35	-2.0	-105.72	334.29	5.64	-100.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)S1	REAL300000400020	0	32	-2.0	-108.36	322.04	4.73	-103.63
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1	REAL300000400021	0	35	-2.0	-110.07	336.18	5.65	-104.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1F	REAL300000400022	0	38	-2.0	-117.91	355.53	6.28	-111.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C(F)=C1	REAL300000400023	0	35	-2.0	-106.22	335.24	5.66	-100.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1Cl	REAL300000400024	0	35	-2.0	-103.92	342.26	6.00	-97.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=CC(F)=C1F	REAL300000400025	0	35	-2.0	-107.95	340.60	5.68	-102.27
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1	REAL300000400026	0	36	-2.0	-117.50	339.49	3.30	-114.20
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1	REAL300000400027	0	38	-2.0	-109.53	351.96	6.37	-103.16
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(F)F	REAL300000400028	0	38	-2.0	-116.14	339.82	6.22	-109.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=CC(C(=O)[O-])=C1F	REAL300000400029	0	38	-2.0	-118.12	354.61	6.24	-111.88
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(F)F	REAL300000400030	0	38	-2.0	-106.15	345.19	6.37	-99.78
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=CC(C(=O)[O-])=C1C	REAL300000400031	0	41	-2.0	-122.96	362.65	6.66	-116.30
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1	REAL300000400032	0	35	-2.0	-107.94	341.51	5.72	-102.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C(C)=C1C(=O)[O-]	REAL300000400033	0	41	-2.0	-120.79	363.31	7.00	-113.79
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000400034	0	38	-2.0	-117.54	351.26	6.19	-111.35
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1	REAL300000400035	0	38	-2.0	-125.50	354.81	6.27	-119.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000400036	0	41	-2.0	-121.56	363.74	6.78	-114.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000400037	0	39	-2.0	-119.15	357.80	5.81	-113.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=CC=C1C(=O)[O-]	REAL300000400038	0	38	-2.0	-108.26	349.83	6.25	-102.01
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(F)F	REAL300000400039	0	38	-2.0	-116.04	349.73	6.41	-109.63
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1F	REAL300000400040	0	35	-2.0	-124.57	333.42	5.62	-118.95
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000400041	0	38	-2.0	-111.15	350.94	6.17	-104.98
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C1	REAL300000400042	0	34	-2.0	-117.56	325.99	3.70	-113.86
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC(F)F	REAL300000400043	0	39	-2.0	-110.62	357.98	5.39	-105.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)=C(Cl)O1	REAL300000400044	0	32	-2.0	-106.55	329.88	4.56	-101.99
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3OCC(F)F)C=C2)CC1	REAL300000400045	0	42	-2.0	-112.46	375.90	7.48	-104.98
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3OCC(F)F)C=C2C1	REAL300000400046	0	42	-2.0	-117.26	373.87	7.45	-109.81
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC(F)F)C=C(C(=O)[O-])O1	REAL300000400047	0	38	-2.0	-111.77	351.90	5.58	-106.19
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(Cl)=C1	REAL300000400059	1	29	-2.0	-93.06	307.81	6.03	-87.03
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(Cl)=C1	REAL300000400061	1	26	-2.0	-91.17	295.53	4.98	-86.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2Cl)=C1	REAL300000400066	1	29	-2.0	-87.63	311.47	5.65	-81.98
N#CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(Cl)=C1	REAL300000400075	0	32	-2.0	-104.90	330.11	6.45	-98.45
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(Cl)=C1	REAL300000400089	1	26	-2.0	-86.60	294.60	5.10	-81.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2Cl)=C1F	REAL300000400091	1	32	-2.0	-94.52	328.11	6.66	-87.86
N#CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(Cl)=C1	REAL300000400098	0	30	-2.0	-99.00	306.66	4.54	-94.46
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(Cl)=C1	REAL300000400106	1	29	-2.0	-85.45	314.10	6.09	-79.36
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(Cl)=C1	REAL300000400120	1	34	-2.0	-88.69	345.61	8.15	-80.54
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(Cl)=C1	REAL300000400122	1	31	-2.0	-103.35	326.07	7.82	-95.53
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(Cl)=C1	REAL300000400123	1	29	-2.0	-100.28	305.97	5.99	-94.29
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(Cl)=C1	REAL300000400126	0	28	-2.0	-93.78	298.55	4.09	-89.69
N#CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(Cl)=C1	REAL300000400128	1	26	-2.0	-85.39	302.44	4.95	-80.44
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400132	0	36	-2.0	-104.79	343.63	4.94	-99.85
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400133	0	33	-2.0	-105.43	328.20	4.16	-101.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=CN=C1Cl	REAL300000400134	1	32	-2.0	-100.67	309.33	3.36	-97.31
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CN=C1Cl	REAL300000400136	0	27	-2.0	-109.18	281.92	3.78	-105.40
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=CN=C1Cl	REAL300000400137	0	30	-2.0	-95.58	309.32	3.23	-92.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=CN=C1Cl	REAL300000400137	1	29	-3.0	-154.65	306.90	3.21	-151.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CN=C1Cl	REAL300000400138	0	26	-2.0	-93.35	285.28	2.14	-91.21
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400139	0	28	-2.0	-99.42	294.26	3.89	-95.53
N#CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400140	0	28	-2.0	-95.28	294.23	3.91	-91.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=CN=C1Cl	REAL300000400141	0	27	-2.0	-99.03	295.64	4.08	-94.95
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400142	0	28	-2.0	-110.41	291.51	3.79	-106.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=CN=C1Cl	REAL300000400143	0	27	-2.0	-103.17	289.91	4.21	-98.96
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1NC(C)=O	REAL300000400144	0	38	-2.0	-115.63	357.52	1.82	-113.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=CN=C1Cl	REAL300000400145	0	31	-2.0	-95.08	319.42	3.30	-91.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000400146	0	29	-3.0	-166.91	306.42	4.11	-162.80
O=C([O-])C1=CC(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000400146	1	30	-2.0	-109.76	308.86	4.11	-105.65
CC1=C(C)C(C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=C1C	REAL300000400147	1	42	-2.0	-104.74	350.22	6.66	-98.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=CN=C1Cl	REAL300000400148	0	36	-2.0	-100.20	336.23	3.45	-96.75
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000400149	0	32	-2.0	-100.65	317.62	4.69	-95.96
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400150	0	30	-2.0	-97.78	289.62	1.34	-96.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=CN=C1Cl	REAL300000400151	0	24	-2.0	-95.04	287.02	3.23	-91.81
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400152	1	45	-2.0	-102.10	379.75	7.50	-94.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=CN=C1Cl	REAL300000400153	0	43	-2.0	-101.14	375.27	7.32	-93.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=CN=C1Cl	REAL300000400154	0	30	-2.0	-94.71	312.14	4.51	-90.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=CN=C1Cl	REAL300000400155	0	37	-2.0	-103.67	336.13	5.99	-97.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400156	0	29	-3.0	-155.64	301.87	4.08	-151.56
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400156	1	30	-2.0	-99.11	304.30	4.09	-95.02
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400157	0	35	-2.0	-110.00	331.15	2.59	-107.41
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1OC	REAL300000400158	0	35	-2.0	-100.77	332.15	2.71	-98.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=CN=C1Cl	REAL300000400159	0	34	-2.0	-103.85	318.97	5.41	-98.44
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400160	0	29	-2.0	-93.10	286.59	2.48	-90.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=CN=C1Cl	REAL300000400161	0	27	-2.0	-93.78	305.35	4.48	-89.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400162	0	29	-3.0	-169.83	301.88	4.07	-165.76
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400162	1	30	-2.0	-98.52	304.31	4.08	-94.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=CN=C1Cl	REAL300000400163	0	27	-2.0	-93.12	286.13	3.62	-89.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=CN=C1Cl	REAL300000400164	0	27	-2.0	-98.96	303.27	4.60	-94.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=CN=C1Cl	REAL300000400165	0	30	-2.0	-98.55	312.49	4.52	-94.03
CC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400166	0	30	-2.0	-102.85	294.84	4.17	-98.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=CN=C1Cl	REAL300000400168	0	30	-2.0	-105.85	299.29	4.89	-100.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CN=C1Cl	REAL300000400169	0	27	-2.0	-99.01	290.14	4.03	-94.98
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400170	0	32	-2.0	-100.94	313.90	3.90	-97.04
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400171	0	33	-2.0	-102.76	310.31	4.96	-97.80
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000400172	0	33	-2.0	-103.65	312.53	4.74	-98.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=CN=C1Cl	REAL300000400173	0	27	-2.0	-93.28	296.02	4.07	-89.21
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400174	0	32	-2.0	-111.68	314.68	3.91	-107.77
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=C1	REAL300000400175	1	33	-2.0	-102.27	310.32	4.95	-97.32
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400176	0	33	-2.0	-115.08	318.65	4.89	-110.19
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400177	0	36	-2.0	-97.25	350.05	5.11	-92.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=CN=C1Cl	REAL300000400178	0	27	-2.0	-101.15	301.73	4.52	-96.63
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000400179	0	33	-2.0	-100.18	328.93	4.25	-95.93
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400180	0	39	-2.0	-101.63	349.61	5.83	-95.80
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400181	0	36	-2.0	-101.56	333.65	5.43	-96.13
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400182	0	39	-2.0	-101.48	352.11	6.09	-95.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400183	0	33	-3.0	-173.89	330.02	3.88	-170.01
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400184	0	33	-3.0	-155.78	333.34	5.38	-150.40
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400184	1	34	-2.0	-97.63	335.77	5.38	-92.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=CN=C1Cl	REAL300000400185	0	27	-2.0	-103.85	297.03	4.84	-99.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CN=C1Cl	REAL300000400186	0	24	-2.0	-94.90	282.39	3.13	-91.77
CCCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400187	0	36	-2.0	-101.56	337.82	5.72	-95.84
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400188	0	31	-2.0	-108.72	301.68	3.30	-105.42
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400189	0	32	-3.0	-171.22	317.89	4.59	-166.63
CC1=CC=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400189	1	33	-2.0	-108.01	320.33	4.61	-103.40
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400190	0	38	-2.0	-123.07	358.02	2.18	-120.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=CN=C1Cl	REAL300000400191	0	27	-2.0	-97.60	291.47	3.70	-93.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=CN=C1Cl	REAL300000400192	0	27	-2.0	-94.08	306.87	4.54	-89.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=CN=C1Cl	REAL300000400193	0	27	-2.0	-103.72	286.55	4.07	-99.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=CN=C1Cl	REAL300000400194	0	27	-2.0	-98.90	294.71	4.13	-94.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CN=C1Cl	REAL300000400195	0	29	-2.0	-99.77	301.63	4.17	-95.60
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400196	0	32	-2.0	-98.64	317.12	4.96	-93.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=CN=C1Cl	REAL300000400197	0	29	-2.0	-94.15	314.10	4.55	-89.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CN=C1Cl	REAL300000400198	0	24	-2.0	-100.19	265.34	2.51	-97.68
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400199	1	31	-2.0	-100.27	302.92	2.80	-97.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=CN=C1Cl	REAL300000400200	0	29	-2.0	-115.47	291.96	4.90	-110.57
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400201	0	29	-3.0	-164.28	314.95	4.64	-159.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000400202	0	29	-3.0	-165.49	314.40	4.46	-161.03
O=C([O-])C1=CC(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000400202	1	30	-2.0	-106.22	316.83	4.47	-101.75
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400203	0	30	-2.0	-102.34	294.83	4.18	-98.16
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400204	1	34	-2.0	-99.92	324.77	3.73	-96.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=CN=C1Cl	REAL300000400205	0	27	-2.0	-98.45	285.32	3.64	-94.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CN=C1Cl	REAL300000400206	0	27	-2.0	-99.14	279.82	3.58	-95.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=CN=C1Cl	REAL300000400207	0	27	-2.0	-93.38	286.23	3.65	-89.73
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000400208	0	39	-2.0	-103.29	337.50	6.26	-97.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=CN=C1Cl	REAL300000400209	0	33	-2.0	-102.55	317.90	2.67	-99.88
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=C1	REAL300000400210	1	36	-2.0	-101.71	324.46	5.80	-95.91
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400211	0	42	-2.0	-103.77	365.11	6.61	-97.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=CN=C1Cl	REAL300000400212	0	27	-2.0	-96.08	290.15	4.02	-92.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=CN=C1Cl	REAL300000400213	0	27	-2.0	-95.90	294.72	4.13	-91.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CN=C1Cl	REAL300000400214	0	29	-2.0	-91.49	301.65	4.17	-87.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=CN=C1Cl	REAL300000400215	0	27	-2.0	-102.36	273.41	3.51	-98.85
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400216	0	34	-2.0	-107.36	329.48	2.40	-104.96
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400217	0	27	-2.0	-101.28	287.23	3.31	-97.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000400218	0	35	-3.0	-170.89	334.55	5.42	-165.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000400218	1	36	-2.0	-104.95	337.45	5.39	-99.56
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400219	0	31	-2.0	-102.13	318.41	3.82	-98.31
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=CN=C1Cl	REAL300000400220	0	29	-2.0	-105.36	311.23	5.43	-99.93
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400221	0	29	-3.0	-165.55	307.35	4.13	-161.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=CN=C1Cl	REAL300000400222	0	24	-2.0	-94.02	296.25	3.66	-90.36
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400223	0	42	-2.0	-101.41	376.89	7.01	-94.40
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400224	0	32	-2.0	-98.59	311.66	4.78	-93.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=CN=C1Cl	REAL300000400225	0	27	-2.0	-101.32	285.32	3.64	-97.68
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400226	0	35	-3.0	-154.83	345.46	5.65	-149.18
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400226	1	36	-2.0	-97.97	347.89	5.67	-92.30
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400227	0	37	-2.0	-107.17	350.09	3.21	-103.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=CN=C1Cl	REAL300000400228	0	31	-2.0	-98.48	309.17	0.33	-98.15
CSC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400229	0	31	-2.0	-100.05	313.63	4.52	-95.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=CN=C1Cl	REAL300000400230	0	32	-2.0	-99.32	315.44	1.95	-97.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=CN=C1Cl	REAL300000400231	0	35	-2.0	-100.20	333.24	2.69	-97.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)=CN=C1Cl	REAL300000400232	1	32	-2.0	-100.24	321.68	3.69	-96.55
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400233	0	26	-3.0	-162.90	295.06	3.09	-159.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=CN=C1Cl	REAL300000400234	0	30	-2.0	-98.13	305.16	1.02	-97.11
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400236	0	32	-3.0	-168.81	317.31	4.86	-163.95
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400236	1	33	-2.0	-104.20	319.08	4.89	-99.31
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400237	0	33	-2.0	-101.11	310.11	2.55	-98.56
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000400238	0	35	-2.0	-98.59	334.41	5.53	-93.06
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400239	0	33	-2.0	-97.59	328.18	4.17	-93.42
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400240	0	34	-2.0	-101.73	329.84	1.79	-99.94
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400241	0	32	-2.0	-102.92	327.61	-1.54	-104.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)=CN=C1Cl	REAL300000400242	0	38	-2.0	-109.00	351.21	4.62	-104.38
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400243	0	36	-2.0	-112.94	345.54	5.18	-107.76
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400244	0	31	-2.0	-101.64	307.91	0.29	-101.35
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000400245	0	38	-2.0	-110.14	352.32	4.53	-105.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400246	0	33	-2.0	-101.82	316.30	4.95	-96.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CN=C1Cl	REAL300000400247	0	33	-2.0	-104.77	319.37	5.79	-98.98
COC(=O)C1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=CS1	REAL300000400248	0	30	-2.0	-111.64	312.99	3.83	-107.81
COCCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400249	0	37	-2.0	-101.07	349.99	4.01	-97.06
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=C1	REAL300000400250	1	37	-2.0	-100.66	332.99	4.48	-96.18
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400251	0	34	-2.0	-97.05	335.39	4.37	-92.68
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400251	1	33	-3.0	-154.58	332.96	4.35	-150.23
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400252	0	39	-2.0	-101.77	354.58	6.19	-95.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=CN=C1Cl	REAL300000400253	0	27	-2.0	-95.55	279.83	3.57	-91.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CN=C1Cl	REAL300000400254	0	27	-2.0	-106.46	278.90	3.57	-102.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=CN=C1Cl	REAL300000400255	0	32	-2.0	-98.65	315.79	4.03	-94.62
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400256	0	33	-2.0	-115.39	327.53	2.02	-113.37
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=C2N=C1	REAL300000400257	0	35	-2.0	-117.94	334.77	4.79	-113.15
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400258	1	37	-2.0	-99.45	346.26	4.53	-94.92
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000400259	0	30	-2.0	-103.41	307.96	4.73	-98.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=CN=C1Cl	REAL300000400260	0	31	-2.0	-104.75	318.17	3.78	-100.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=CN=C1Cl	REAL300000400261	0	33	-2.0	-99.43	324.15	0.75	-98.68
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400262	0	32	-2.0	-106.85	327.61	-1.54	-108.39
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000400263	0	35	-2.0	-99.45	336.71	3.96	-95.49
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000400264	0	33	-2.0	-110.87	321.42	4.20	-106.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)=CN=C1Cl	REAL300000400265	0	33	-2.0	-98.90	329.96	0.51	-98.39
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000400266	0	34	-2.0	-96.70	339.05	2.77	-93.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=CN=C1Cl	REAL300000400267	0	32	-2.0	-96.65	321.12	5.02	-91.63
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000400268	0	33	-2.0	-99.50	327.55	3.47	-96.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=CN=C1Cl	REAL300000400269	0	31	-2.0	-96.88	319.42	3.30	-93.58
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400270	0	33	-2.0	-107.21	334.11	1.03	-106.18
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400271	1	30	-2.0	-95.35	295.30	4.35	-91.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=CN=C1Cl	REAL300000400272	0	37	-2.0	-105.80	343.28	7.37	-98.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=CN=C1Cl	REAL300000400273	0	27	-2.0	-96.26	292.94	4.13	-92.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=CN=C1Cl	REAL300000400274	0	39	-2.0	-108.91	359.34	2.85	-106.06
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000400275	0	34	-2.0	-108.66	335.27	2.45	-106.21
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400276	0	33	-2.0	-110.42	334.13	1.02	-109.40
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1OC	REAL300000400278	0	35	-2.0	-102.51	337.62	2.78	-99.73
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1OC	REAL300000400279	0	38	-2.0	-100.84	347.59	3.48	-97.36
CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400280	0	30	-3.0	-167.56	308.53	3.43	-164.13
CN1C=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400280	1	31	-2.0	-99.12	310.96	3.43	-95.69
CN1C=NC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000400281	0	27	-2.0	-109.50	291.91	3.02	-106.48
CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000400282	0	32	-2.0	-100.42	315.42	-0.32	-100.74
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400283	0	34	-2.0	-104.46	327.97	2.90	-101.56
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400283	1	33	-3.0	-169.41	326.08	2.89	-166.52
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400284	1	38	-2.0	-102.37	358.39	3.00	-99.37
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000400285	0	31	-2.0	-98.76	318.95	3.36	-95.40
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000400286	0	31	-2.0	-98.67	309.14	2.88	-95.79
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000400287	1	34	-2.0	-101.15	323.00	3.54	-97.61
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000400288	1	37	-2.0	-100.82	344.85	4.47	-96.35
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000400289	0	34	-2.0	-97.45	324.02	0.95	-96.50
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000400290	0	35	-2.0	-99.43	335.24	0.90	-98.53
CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400291	0	27	-2.0	-99.58	277.96	1.22	-98.36
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400292	0	32	-2.0	-91.22	317.13	4.95	-86.27
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CN1C	REAL300000400294	0	35	-2.0	-101.19	337.37	1.17	-100.02
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400295	0	30	-2.0	-98.65	305.62	4.80	-93.85
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400296	1	40	-2.0	-99.59	366.37	5.22	-94.37
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=N2)C=C1	REAL300000400297	0	37	-2.0	-100.50	355.38	5.31	-95.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)=CN=C1Cl	REAL300000400299	0	38	-2.0	-101.12	348.88	3.64	-97.48
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000400300	1	37	-2.0	-101.03	347.00	4.39	-96.64
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400301	0	29	-3.0	-158.50	310.99	3.74	-154.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400301	1	30	-2.0	-99.99	313.40	3.77	-96.22
N#CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000400302	0	28	-2.0	-92.54	309.63	4.33	-88.21
N#CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000400303	0	28	-2.0	-93.29	309.66	4.32	-88.97
CC1=CC(C)=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400304	0	36	-2.0	-103.37	336.00	5.36	-98.01
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400304	1	35	-3.0	-170.68	332.94	5.42	-165.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=CN=C1Cl	REAL300000400305	0	31	-2.0	-106.91	311.77	3.89	-103.02
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C2=CC=CN=C12	REAL300000400306	0	36	-2.0	-104.51	338.72	3.31	-101.20
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000400307	0	30	-2.0	-99.54	308.89	4.61	-94.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=CN=C1Cl	REAL300000400308	0	27	-2.0	-103.74	295.10	4.06	-99.68
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000400309	1	40	-2.0	-100.90	362.77	5.09	-95.81
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400310	0	33	-2.0	-96.92	329.89	3.97	-92.95
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000400311	0	37	-2.0	-107.63	342.78	5.18	-102.45
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000400312	0	30	-2.0	-99.38	300.14	4.21	-95.17
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400313	0	30	-2.0	-96.01	305.63	4.79	-91.22
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400314	0	30	-2.0	-106.55	300.33	4.23	-102.32
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400315	0	30	-2.0	-98.81	295.30	4.35	-94.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=CN=C1Cl	REAL300000400316	0	33	-2.0	-100.92	333.47	5.57	-95.35
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400317	0	32	-2.0	-114.05	311.76	5.86	-108.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)=CN=C1Cl	REAL300000400318	0	35	-2.0	-103.46	338.71	2.76	-100.70
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400319	0	37	-2.0	-112.73	345.96	3.34	-109.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)=CN=C1Cl	REAL300000400320	1	41	-2.0	-99.60	368.06	5.73	-93.87
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400321	0	35	-2.0	-117.95	334.68	4.80	-113.15
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400322	1	43	-2.0	-99.27	385.33	5.83	-93.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CS1	REAL300000400323	0	26	-3.0	-164.91	293.53	3.11	-161.80
O=C([O-])C1=CC(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)=CS1	REAL300000400323	1	27	-2.0	-105.51	295.96	3.11	-102.40
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000400324	0	30	-2.0	-104.40	315.76	5.41	-98.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=CN=C1Cl	REAL300000400325	0	29	-2.0	-91.83	314.77	4.74	-87.09
COC1=CC=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400326	0	34	-2.0	-104.13	331.60	4.15	-99.98
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400326	1	33	-3.0	-175.87	329.17	4.15	-171.72
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C2=CC=CN=C2C=C1	REAL300000400327	0	35	-2.0	-103.18	323.38	4.88	-98.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=CN=C1Cl	REAL300000400328	0	24	-2.0	-99.34	285.72	3.08	-96.26
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1O	REAL300000400329	0	34	-2.0	-98.57	337.02	2.21	-96.36
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400330	0	40	-2.0	-109.81	377.11	3.30	-106.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=CN=C1Cl	REAL300000400331	0	29	-2.0	-108.42	298.35	4.96	-103.46
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400332	0	38	-3.0	-171.76	355.77	6.09	-165.67
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400332	1	39	-2.0	-103.16	357.92	6.10	-97.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=CN=C1Cl	REAL300000400333	0	37	-2.0	-102.58	347.60	6.93	-95.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=CN=C1Cl	REAL300000400334	0	29	-2.0	-110.76	306.83	4.89	-105.87
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400335	0	36	-2.0	-111.31	354.35	1.98	-109.33
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400336	0	38	-2.0	-111.31	364.17	3.17	-108.14
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=C1	REAL300000400337	1	34	-2.0	-100.28	318.37	3.58	-96.70
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000400338	1	37	-2.0	-101.10	338.45	4.32	-96.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)=CN=C1Cl	REAL300000400339	0	38	-2.0	-111.88	361.47	3.48	-108.40
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400340	0	31	-2.0	-103.95	304.59	1.88	-102.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2)=CN=C1Cl	REAL300000400341	0	24	-2.0	-96.93	255.00	-0.09	-97.02
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400342	0	35	-3.0	-167.59	332.05	5.81	-161.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400342	1	36	-2.0	-103.26	336.27	5.76	-97.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=CN=C1Cl	REAL300000400343	0	30	-2.0	-105.60	312.94	4.42	-101.18
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400344	0	30	-2.0	-95.62	321.29	3.27	-92.35
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400345	0	36	-3.0	-173.14	346.12	5.98	-167.16
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400345	1	37	-2.0	-105.71	347.15	6.00	-99.71
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000400346	0	35	-2.0	-114.54	331.06	6.13	-108.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=CN=C1Cl	REAL300000400347	0	31	-2.0	-95.40	311.24	3.88	-91.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=CN=C1Cl	REAL300000400348	0	27	-2.0	-99.42	288.32	3.85	-95.57
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000400349	0	29	-3.0	-160.61	304.88	3.22	-157.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=CN=C1Cl	REAL300000400350	0	30	-2.0	-121.41	301.60	2.72	-118.69
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400351	0	33	-2.0	-106.56	333.67	4.22	-102.34
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400352	0	37	-2.0	-110.42	344.92	4.89	-105.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=CN=C1Cl	REAL300000400353	0	30	-2.0	-92.83	317.75	4.56	-88.27
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400354	1	43	-2.0	-99.21	389.26	6.09	-93.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=CN=C1Cl	REAL300000400355	0	29	-2.0	-114.17	307.13	5.67	-108.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=CN=C1Cl	REAL300000400356	0	32	-2.0	-112.29	321.70	3.68	-108.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=CN=C1Cl	REAL300000400357	0	26	-2.0	-93.68	289.75	2.31	-91.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=CN=C1Cl	REAL300000400358	0	29	-2.0	-117.40	299.44	5.14	-112.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400359	0	33	-3.0	-172.35	330.86	3.17	-169.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=CN=C1Cl	REAL300000400360	0	34	-2.0	-100.82	333.98	4.63	-96.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=CN=C1Cl	REAL300000400361	0	37	-2.0	-100.38	359.40	5.08	-95.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CN=C1Cl	REAL300000400362	0	26	-2.0	-93.59	274.84	1.79	-91.80
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000400363	0	33	-2.0	-99.04	327.86	5.03	-94.01
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000400364	0	37	-2.0	-99.88	353.66	4.43	-95.45
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400365	0	30	-2.0	-100.82	321.46	3.18	-97.64
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400366	0	35	-2.0	-97.66	331.89	5.90	-91.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=CN=C1Cl	REAL300000400367	0	32	-2.0	-103.59	309.57	3.94	-99.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=CN=C1Cl	REAL300000400368	0	26	-2.0	-95.23	298.56	2.64	-92.59
CN1C=NC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400369	0	27	-2.0	-111.03	277.59	2.60	-108.43
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=C1	REAL300000400370	1	37	-2.0	-100.01	340.23	4.51	-95.50
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=C12	REAL300000400371	0	35	-2.0	-97.22	339.73	3.24	-93.98
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=C12	REAL300000400372	0	31	-2.0	-93.44	313.17	0.49	-92.95
N#CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400373	0	27	-2.0	-92.29	289.35	2.03	-90.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=CN=C1Cl	REAL300000400374	0	36	-2.0	-103.35	354.97	6.35	-97.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=CN=C1Cl	REAL300000400375	0	27	-2.0	-104.71	285.21	3.63	-101.08
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000400376	0	31	-2.0	-104.63	311.40	3.08	-101.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=CN=C1Cl	REAL300000400377	0	29	-2.0	-108.45	308.68	5.41	-103.04
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400378	0	32	-3.0	-159.21	322.58	4.90	-154.31
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400378	1	33	-2.0	-98.57	324.28	4.92	-93.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=CN=C1Cl	REAL300000400379	0	33	-2.0	-107.61	316.55	3.15	-104.46
CC1=NC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CN1C	REAL300000400380	0	30	-2.0	-112.33	297.11	2.40	-109.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=CN=C1Cl	REAL300000400381	0	31	-2.0	-104.45	311.43	3.56	-100.89
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400382	0	36	-2.0	-105.13	350.07	5.09	-100.04
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400383	0	30	-2.0	-99.75	299.50	2.08	-97.67
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400384	0	39	-2.0	-96.82	371.54	5.89	-90.93
COCC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400385	0	34	-2.0	-103.70	328.48	3.22	-100.48
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400386	0	33	-2.0	-109.64	325.04	4.96	-104.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=CN=C1Cl	REAL300000400387	0	30	-2.0	-100.50	317.66	4.57	-95.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)=CN=C1Cl	REAL300000400388	0	30	-2.0	-98.01	305.69	4.96	-93.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=CN=C1Cl	REAL300000400389	0	27	-2.0	-101.40	305.50	3.61	-97.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=CN=C1Cl	REAL300000400390	0	32	-2.0	-100.27	309.40	2.80	-97.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=CN=C1Cl	REAL300000400391	0	27	-2.0	-98.92	292.94	4.13	-94.79
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=C2)=CO1	REAL300000400392	0	36	-2.0	-104.89	349.80	2.57	-102.32
CC1CC2=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000400394	1	35	-2.0	-101.02	330.33	4.09	-96.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=CN=C1Cl	REAL300000400395	0	31	-2.0	-96.22	317.72	0.37	-95.85
CC1=NNC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400396	0	27	-2.0	-97.77	273.83	0.55	-97.22
COC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400397	0	31	-2.0	-103.98	302.92	2.80	-101.18
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400398	0	30	-2.0	-102.11	288.90	4.28	-97.83
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400399	0	33	-2.0	-105.66	335.04	1.74	-103.92
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400399	1	32	-3.0	-162.88	331.75	0.62	-162.26
CN1C=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000400400	0	27	-2.0	-108.26	278.42	1.05	-107.21
CN1N=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400401	0	27	-2.0	-94.50	273.65	1.14	-93.36
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000400406	0	30	-2.0	-106.04	300.32	4.24	-101.80
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000400407	0	30	-2.0	-95.94	300.15	4.20	-91.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC=N2)=CN=C1Cl	REAL300000400408	0	24	-2.0	-109.16	254.88	0.90	-108.26
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000400409	0	30	-2.0	-96.13	312.96	2.30	-93.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=CN=C1Cl	REAL300000400410	0	32	-2.0	-117.97	313.37	4.15	-113.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=CN=C1Cl	REAL300000400411	0	33	-2.0	-107.85	340.26	4.15	-103.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=CN=C1Cl	REAL300000400412	0	27	-2.0	-93.79	291.61	3.68	-90.11
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000400413	0	29	-3.0	-164.67	311.57	3.96	-160.71
CC1=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000400413	1	30	-2.0	-103.32	314.09	3.96	-99.36
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000400414	0	36	-2.0	-104.67	337.74	4.84	-99.83
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400415	0	31	-2.0	-104.07	316.02	3.36	-100.71
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000400416	0	29	-2.0	-94.05	304.06	2.73	-91.32
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400417	0	33	-2.0	-110.63	332.49	1.05	-109.58
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=C1C	REAL300000400418	1	37	-2.0	-101.58	333.63	4.22	-97.36
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400419	0	36	-2.0	-106.89	350.38	4.95	-101.94
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000400421	0	38	-2.0	-122.78	353.93	4.63	-118.15
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400422	0	39	-2.0	-101.62	352.58	4.12	-97.50
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)SC=C1	REAL300000400423	0	27	-2.0	-102.82	284.18	3.15	-99.67
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000400424	0	36	-2.0	-101.07	332.84	3.45	-97.62
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000400425	0	36	-2.0	-97.78	344.23	4.70	-93.08
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000400426	0	32	-2.0	-91.86	317.63	4.68	-87.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=CN=C1Cl	REAL300000400429	0	35	-2.0	-114.10	333.00	1.97	-112.13
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400430	0	31	-2.0	-98.75	309.68	4.68	-94.07
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000400431	0	34	-2.0	-109.73	334.61	2.52	-107.21
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000400432	0	32	-2.0	-99.68	325.79	4.87	-94.81
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400433	0	39	-2.0	-101.66	325.65	6.20	-95.46
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000400434	0	37	-2.0	-119.78	348.31	3.30	-116.48
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400435	0	31	-2.0	-103.71	311.09	3.98	-99.73
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400436	0	31	-2.0	-95.23	309.66	4.68	-90.55
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400437	0	39	-2.0	-104.22	338.18	6.73	-97.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=CN=C1Cl	REAL300000400439	0	36	-2.0	-108.77	342.09	3.58	-105.19
N#CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000400440	0	28	-2.0	-98.20	299.71	3.98	-94.22
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=C2O1	REAL300000400441	0	32	-2.0	-100.18	317.06	1.18	-99.00
CC(C)N1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400442	0	33	-2.0	-99.63	318.17	2.60	-97.03
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400443	0	32	-2.0	-107.27	312.52	-0.14	-107.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=CN=C1Cl	REAL300000400444	0	32	-2.0	-102.75	314.40	3.90	-98.85
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400445	0	33	-2.0	-106.47	332.77	2.28	-104.19
CC(C)C1=NC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CN1	REAL300000400446	0	33	-2.0	-109.75	317.38	1.95	-107.80
N#CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000400447	0	30	-2.0	-105.17	315.26	5.32	-99.85
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=N1	REAL300000400450	0	36	-2.0	-104.14	347.98	4.74	-99.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=CN=C1Cl	REAL300000400452	0	27	-2.0	-88.30	292.40	3.68	-84.62
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400453	0	38	-2.0	-99.77	356.03	5.36	-94.41
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CN1C	REAL300000400455	0	34	-2.0	-105.05	334.59	3.62	-101.43
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400456	0	42	-2.0	-101.58	363.84	6.30	-95.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000400457	0	29	-3.0	-154.15	314.93	4.64	-149.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000400458	0	29	-3.0	-155.02	306.40	4.12	-150.90
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000400458	1	30	-2.0	-101.83	308.85	4.12	-97.71
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400459	0	35	-2.0	-111.33	339.53	2.93	-108.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=CN=C1Cl	REAL300000400460	0	34	-2.0	-103.95	338.38	4.79	-99.16
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400461	0	37	-2.0	-109.22	351.68	4.16	-105.06
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC(C)=C1F	REAL300000400462	0	33	-2.0	-96.60	320.45	4.84	-91.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400463	0	26	-3.0	-157.20	294.15	3.19	-154.01
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400463	1	27	-2.0	-99.43	296.58	3.21	-96.22
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400464	0	36	-2.0	-110.65	338.12	4.76	-105.89
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400465	0	29	-3.0	-160.18	308.29	4.15	-156.03
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400465	1	30	-2.0	-94.08	310.72	4.15	-89.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1F	REAL300000400466	0	32	-3.0	-167.02	327.65	4.76	-162.26
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400467	0	41	-2.0	-99.20	366.23	5.58	-93.62
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CN1	REAL300000400468	0	31	-2.0	-102.64	316.82	1.86	-100.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000400469	0	29	-3.0	-155.54	307.34	4.15	-151.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000400470	0	29	-3.0	-153.30	314.37	4.48	-148.82
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000400470	1	30	-2.0	-97.96	316.82	4.48	-93.48
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400471	0	30	-2.0	-98.73	294.21	4.32	-94.41
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000400472	0	36	-2.0	-99.62	344.26	4.70	-94.92
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CS1	REAL300000400473	0	30	-2.0	-101.26	320.68	3.20	-98.06
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000400474	0	33	-2.0	-95.35	332.76	4.19	-91.16
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400475	0	29	-2.0	-98.97	298.64	2.09	-96.88
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400476	0	31	-2.0	-107.06	315.68	4.68	-102.38
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400477	0	35	-2.0	-91.54	331.77	5.87	-85.67
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1O	REAL300000400478	0	35	-2.0	-114.66	338.73	-0.32	-114.98
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400481	0	33	-2.0	-98.14	327.96	5.29	-92.85
CCC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400482	0	33	-2.0	-103.14	316.30	4.93	-98.21
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400483	0	30	-2.0	-99.02	301.24	4.24	-94.78
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400485	0	33	-2.0	-97.07	331.30	2.97	-94.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=CN=C1Cl	REAL300000400486	0	33	-2.0	-98.88	324.81	2.58	-96.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000400487	0	29	-3.0	-158.04	312.71	4.17	-153.87
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000400487	1	30	-2.0	-103.76	315.13	4.17	-99.59
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400488	0	39	-2.0	-105.33	360.88	5.51	-99.82
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000400489	1	38	-2.0	-100.81	350.86	4.76	-96.05
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000400490	0	30	-2.0	-98.46	305.63	4.26	-94.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=CN=C1Cl	REAL300000400491	0	33	-2.0	-110.09	325.20	6.57	-103.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=CN=C1Cl	REAL300000400492	0	33	-2.0	-110.26	314.46	5.83	-104.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=CN=C1Cl	REAL300000400493	0	29	-2.0	-99.61	305.41	3.00	-96.61
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400494	0	30	-3.0	-167.03	311.58	1.80	-165.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=CN=C1Cl	REAL300000400495	0	37	-2.0	-105.69	328.72	6.14	-99.55
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400496	0	32	-3.0	-158.94	324.06	4.85	-154.09
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400496	1	33	-2.0	-104.17	326.49	4.87	-99.30
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000400497	0	33	-2.0	-96.29	334.82	3.23	-93.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=CN=C1Cl	REAL300000400498	0	29	-2.0	-92.09	308.04	4.24	-87.85
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400499	0	32	-2.0	-111.06	327.74	4.50	-106.56
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000400500	0	39	-2.0	-101.35	364.14	5.05	-96.30
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400501	0	30	-2.0	-111.59	316.15	4.21	-107.38
COC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)SC=C1	REAL300000400502	0	28	-2.0	-109.11	295.58	1.80	-107.31
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300000400503	0	33	-2.0	-101.42	330.20	4.62	-96.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CN=C1Cl	REAL300000400504	0	30	-2.0	-103.65	303.17	3.91	-99.74
CC1=NC2=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000400505	0	35	-2.0	-119.75	334.92	4.76	-114.99
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000400506	0	38	-2.0	-98.23	356.71	3.02	-95.21
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=CN=C1Cl	REAL300000400507	0	33	-2.0	-102.12	328.83	6.25	-95.87
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1F	REAL300000400508	0	32	-2.0	-99.64	327.45	4.88	-94.76
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400509	0	29	-2.0	-107.31	306.65	2.26	-105.05
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400511	0	27	-2.0	-92.42	288.38	2.46	-89.96
CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)N=C1Cl	REAL300000400512	0	27	-2.0	-107.11	293.76	2.34	-104.77
COC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC(OC)=C1	REAL300000400513	0	35	-2.0	-104.73	332.40	2.12	-102.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=CN=C1Cl	REAL300000400514	0	28	-2.0	-107.36	289.25	2.26	-105.10
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000400515	0	35	-2.0	-115.50	323.70	6.34	-109.16
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400516	0	28	-2.0	-93.57	295.64	1.34	-92.23
CC1=NC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400517	0	26	-2.0	-98.17	281.94	1.34	-96.83
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400518	0	32	-2.0	-92.81	321.21	4.99	-87.82
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400519	0	32	-3.0	-168.19	311.91	4.72	-163.47
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400519	1	33	-2.0	-102.83	314.44	4.71	-98.12
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000400521	0	32	-3.0	-168.10	326.73	4.72	-163.38
CC1=CC(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000400521	1	33	-2.0	-100.42	329.15	4.73	-95.69
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400522	0	33	-2.0	-100.20	319.19	4.86	-95.34
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400522	1	32	-3.0	-155.91	317.29	4.85	-151.06
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400523	0	33	-2.0	-110.01	332.32	4.61	-105.40
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000400524	0	28	-2.0	-99.00	302.71	4.17	-94.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000400525	0	30	-2.0	-101.08	305.60	4.28	-96.80
COC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000400526	0	33	-2.0	-92.10	328.94	4.25	-87.85
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000400527	0	35	-3.0	-173.08	334.76	5.14	-167.94
CC1=CC(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000400527	1	36	-2.0	-111.27	341.12	5.25	-106.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=CN=C1Cl	REAL300000400528	0	33	-2.0	-111.60	331.15	6.34	-105.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=CN=C1Cl	REAL300000400529	0	30	-2.0	-98.90	318.75	5.01	-93.89
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1CC	REAL300000400530	0	39	-2.0	-103.57	350.49	6.07	-97.50
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400532	0	29	-3.0	-157.23	313.63	4.21	-153.02
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1F	REAL300000400533	0	32	-2.0	-92.95	326.48	4.83	-88.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=CN=C1Cl	REAL300000400534	0	26	-2.0	-100.03	292.37	2.97	-97.06
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400535	0	33	-2.0	-110.13	319.02	3.89	-106.24
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400536	0	32	-2.0	-94.21	324.14	2.35	-91.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=CN=C1Cl	REAL300000400537	0	26	-2.0	-92.19	298.85	2.69	-89.50
CC1=CC=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000400538	0	36	-2.0	-107.36	338.29	5.45	-101.91
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000400538	1	35	-3.0	-172.95	335.26	5.49	-167.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400539	0	32	-3.0	-167.96	327.19	4.77	-163.19
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400540	0	32	-3.0	-177.15	326.91	4.77	-172.38
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400541	0	35	-2.0	-111.75	336.51	4.77	-106.98
COCCN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400542	0	34	-2.0	-98.09	333.17	1.13	-96.96
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300000400543	0	32	-2.0	-108.23	323.73	4.34	-103.89
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400544	0	35	-3.0	-172.09	336.16	5.25	-166.84
CCC1=CC=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400544	1	36	-2.0	-108.25	338.57	5.27	-102.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=CN=C1Cl	REAL300000400545	0	38	-2.0	-100.03	350.58	2.05	-97.98
CC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1C#N	REAL300000400548	0	31	-2.0	-111.15	310.66	4.30	-106.85
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400549	0	33	-2.0	-95.63	325.06	3.98	-91.65
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400549	1	32	-3.0	-154.93	321.93	4.01	-150.92
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400550	0	36	-2.0	-101.62	346.41	5.16	-96.46
CCCN1C=NC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400551	0	33	-2.0	-110.11	320.90	4.26	-105.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=CN=C1Cl	REAL300000400552	0	35	-2.0	-98.00	331.46	1.26	-96.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)=CN=C1Cl	REAL300000400553	1	34	-2.0	-103.61	337.78	4.05	-99.56
CC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1F	REAL300000400554	0	30	-2.0	-107.44	299.23	4.22	-103.22
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400555	0	33	-2.0	-95.87	322.44	1.13	-94.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=CN=C1Cl	REAL300000400556	0	34	-2.0	-112.97	319.36	3.54	-109.43
COCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400557	0	34	-2.0	-101.73	328.50	3.23	-98.50
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400558	0	32	-2.0	-104.50	312.67	0.50	-104.00
CC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000400559	0	30	-2.0	-104.55	305.29	4.64	-99.91
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C(C)O1	REAL300000400561	0	30	-2.0	-99.61	296.39	3.10	-96.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)=CN=C1Cl	REAL300000400562	0	33	-2.0	-107.78	319.67	1.17	-106.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=CN=C1Cl	REAL300000400563	1	35	-2.0	-101.74	327.12	4.13	-97.61
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400564	0	34	-2.0	-101.07	320.01	3.55	-97.52
CCC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C(C(=O)OC)O1	REAL300000400565	0	36	-2.0	-96.13	350.40	3.93	-92.20
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400566	1	37	-2.0	-100.17	342.68	4.36	-95.81
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000400567	0	27	-2.0	-101.20	278.01	2.32	-98.88
CC1=C(C)SC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400568	0	30	-2.0	-102.05	306.40	3.90	-98.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=CN=C1Cl	REAL300000400569	0	30	-2.0	-99.12	299.47	2.16	-96.96
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000400570	0	35	-2.0	-118.11	327.04	5.28	-112.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=CN=C1Cl	REAL300000400571	0	33	-2.0	-110.71	322.70	5.52	-105.19
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400572	0	33	-2.0	-106.44	325.04	4.96	-101.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=CN=C1Cl	REAL300000400573	0	29	-2.0	-89.92	306.16	4.20	-85.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=CN=C1Cl	REAL300000400574	0	27	-2.0	-93.75	296.56	4.09	-89.66
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C(C)O1	REAL300000400575	0	33	-2.0	-96.26	331.28	3.08	-93.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=CN=C1Cl	REAL300000400576	0	26	-2.0	-93.80	285.18	2.20	-91.60
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)N=C1C	REAL300000400577	0	33	-2.0	-112.23	319.12	3.31	-108.92
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400578	0	30	-2.0	-103.89	307.96	4.73	-99.16
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400579	0	33	-3.0	-169.00	329.90	4.29	-164.71
CCN1C=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400579	1	34	-2.0	-99.91	332.34	4.29	-95.62
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400580	0	30	-2.0	-100.27	313.30	2.26	-98.01
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400581	0	39	-2.0	-102.50	349.55	4.08	-98.42
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CN1C	REAL300000400582	0	37	-2.0	-104.62	356.46	4.55	-100.07
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400583	0	35	-2.0	-97.54	335.44	5.57	-91.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=CN=C1Cl	REAL300000400584	0	27	-2.0	-106.57	289.46	4.31	-102.26
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000400585	0	29	-2.0	-101.80	303.31	2.82	-98.98
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400586	0	32	-2.0	-101.00	322.46	3.71	-97.29
CSC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000400587	0	31	-2.0	-98.60	328.64	4.98	-93.62
CCC1=NC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400588	0	29	-2.0	-97.69	303.43	2.09	-95.60
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=C12	REAL300000400589	0	34	-2.0	-92.83	334.65	1.22	-91.61
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400590	0	29	-2.0	-96.77	312.70	3.89	-92.88
COC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000400592	0	30	-2.0	-92.34	314.26	1.46	-90.88
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000400593	0	36	-2.0	-99.39	349.36	4.47	-94.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=CN=C1Cl	REAL300000400594	0	29	-2.0	-92.13	308.14	2.75	-89.38
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400595	0	33	-2.0	-98.78	334.61	4.23	-94.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=CN=C1Cl	REAL300000400596	0	30	-2.0	-99.83	318.79	0.73	-99.10
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400597	0	42	-2.0	-101.27	364.94	4.48	-96.79
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=C1F	REAL300000400598	0	34	-2.0	-98.94	323.08	3.64	-95.30
N#CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000400599	0	28	-2.0	-95.95	307.30	4.48	-91.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CN=C1Cl	REAL300000400600	0	30	-2.0	-110.51	301.35	3.83	-106.68
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400601	0	32	-2.0	-98.54	323.39	2.36	-96.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=CN=C1Cl	REAL300000400602	0	24	-2.0	-95.65	277.80	2.24	-93.41
CC1=NC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300000400603	0	36	-2.0	-112.20	349.46	2.48	-109.72
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000400604	0	35	-2.0	-99.90	332.73	5.49	-94.41
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400605	0	37	-2.0	-109.06	336.96	5.28	-103.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=CN=C1Cl	REAL300000400606	0	27	-2.0	-98.76	294.49	3.91	-94.85
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400608	1	35	-2.0	-104.23	324.90	3.92	-100.31
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400610	0	39	-2.0	-104.50	365.49	5.88	-98.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=CN=C1Cl	REAL300000400611	0	27	-2.0	-95.44	308.59	4.62	-90.82
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400612	0	27	-2.0	-95.50	302.39	3.73	-91.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=CN=C1Cl	REAL300000400613	0	30	-2.0	-102.16	305.60	4.37	-97.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=CN=C1Cl	REAL300000400614	0	30	-2.0	-97.47	317.66	4.57	-92.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=CN=C1Cl	REAL300000400615	0	30	-2.0	-98.28	312.49	2.37	-95.91
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400616	0	31	-2.0	-108.73	309.50	4.57	-104.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=CN=C1Cl	REAL300000400617	0	30	-2.0	-105.09	320.03	0.60	-104.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=CN=C1Cl	REAL300000400619	0	35	-2.0	-97.01	342.85	4.80	-92.21
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400620	0	36	-2.0	-104.79	327.42	5.51	-99.28
COC(=O)C1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000400621	0	33	-2.0	-111.94	328.62	4.69	-107.25
COC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000400622	0	31	-2.0	-95.31	309.14	2.87	-92.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=CN=C1Cl	REAL300000400623	0	26	-2.0	-108.96	286.11	3.91	-105.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CO2)=CN=C1Cl	REAL300000400624	0	24	-2.0	-100.02	256.10	1.50	-98.52
CN1N=NC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400625	0	26	-2.0	-89.86	266.83	-0.03	-89.89
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=CN=C21	REAL300000400626	0	32	-2.0	-97.37	317.78	2.64	-94.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=CN=C1Cl	REAL300000400627	0	26	-2.0	-93.63	294.58	3.27	-90.36
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400629	0	35	-2.0	-103.21	340.62	1.72	-101.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CN=C1Cl	REAL300000400630	0	31	-2.0	-105.00	301.54	2.95	-102.05
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400631	0	28	-2.0	-99.02	307.33	4.47	-94.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=CN=C1Cl	REAL300000400632	0	30	-2.0	-100.47	317.37	2.58	-97.89
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400633	0	33	-2.0	-101.02	303.62	5.23	-95.79
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400634	0	35	-2.0	-115.22	327.39	4.03	-111.19
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400636	0	30	-2.0	-106.52	293.01	4.48	-102.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=CN=C1Cl	REAL300000400637	0	31	-2.0	-115.40	311.81	3.59	-111.81
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400638	0	40	-2.0	-100.95	364.52	5.01	-95.94
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=CC=C12	REAL300000400639	0	35	-2.0	-117.87	331.29	4.70	-113.17
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400641	0	31	-2.0	-105.16	324.67	0.80	-104.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=CN=C1Cl	REAL300000400642	0	28	-2.0	-109.05	298.19	1.82	-107.23
COC1=CN=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400643	0	30	-2.0	-98.88	298.01	0.98	-97.90
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1)OCO2	REAL300000400645	0	33	-2.0	-99.17	314.50	2.96	-96.21
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400647	0	33	-2.0	-100.88	323.79	4.78	-96.10
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400648	0	37	-2.0	-102.14	344.07	3.36	-98.78
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400649	0	36	-2.0	-116.13	340.47	5.83	-110.30
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400651	0	30	-2.0	-105.50	318.38	1.00	-104.50
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400651	1	29	-3.0	-161.80	315.07	-0.13	-161.93
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000400652	0	34	-2.0	-101.59	334.31	2.52	-99.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=CN=C1Cl	REAL300000400653	0	31	-2.0	-98.04	318.89	3.15	-94.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=CN=C1Cl	REAL300000400654	0	30	-2.0	-92.14	317.74	4.56	-87.58
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400655	0	32	-2.0	-104.94	330.19	-0.88	-105.82
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400656	0	31	-2.0	-108.79	306.25	4.78	-104.01
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400657	0	31	-2.0	-106.76	315.66	4.67	-102.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=CN=C1Cl	REAL300000400658	0	27	-2.0	-96.76	303.27	4.57	-92.19
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400659	1	33	-2.0	-95.63	309.93	5.26	-90.37
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(N)=NO1	REAL300000400660	0	28	-2.0	-92.78	279.84	0.93	-91.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=CN=C1Cl	REAL300000400661	0	27	-2.0	-95.35	303.41	4.90	-90.45
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400662	0	31	-2.0	-104.84	318.40	3.82	-101.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=CN=C1Cl	REAL300000400663	0	28	-2.0	-97.74	300.92	2.29	-95.45
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400666	0	34	-2.0	-103.72	318.38	3.58	-100.14
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000400667	1	34	-2.0	-98.79	333.98	4.15	-94.64
N#CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400669	0	25	-2.0	-93.44	285.91	3.06	-90.38
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400670	0	29	-2.0	-99.48	290.02	2.33	-97.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=CN=C1Cl	REAL300000400671	0	32	-2.0	-101.97	314.60	3.88	-98.09
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000400672	0	33	-2.0	-99.56	333.66	4.25	-95.31
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000400673	0	33	-2.0	-96.69	332.74	4.20	-92.49
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1C#N	REAL300000400674	0	31	-2.0	-95.06	313.40	4.40	-90.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=CN=C1Cl	REAL300000400675	0	26	-2.0	-88.83	291.15	2.20	-86.63
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000400677	0	31	-2.0	-102.93	308.40	2.87	-100.06
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1[N+](=O)[O-]	REAL300000400678	0	35	-2.0	-113.65	334.21	6.70	-106.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=CN=C1Cl	REAL300000400679	0	33	-2.0	-101.93	334.40	5.30	-96.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=CN=C1Cl	REAL300000400681	0	30	-2.0	-99.83	305.61	4.37	-95.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=CN=C1Cl	REAL300000400682	0	37	-2.0	-106.28	347.62	6.92	-99.36
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000400684	0	30	-2.0	-95.32	290.29	1.97	-93.35
N#CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000400686	0	25	-2.0	-94.14	277.34	2.05	-92.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2)=CN=C1Cl	REAL300000400687	0	24	-2.0	-98.27	264.52	2.42	-95.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC=C2)=CN=C1Cl	REAL300000400688	0	24	-2.0	-98.79	255.95	1.40	-97.39
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400689	0	38	-2.0	-109.98	356.74	3.02	-106.96
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000400690	0	32	-3.0	-155.89	317.88	4.62	-151.27
CC1=CC(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000400690	1	33	-2.0	-98.79	320.28	4.62	-94.17
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400691	0	30	-2.0	-95.85	300.59	0.19	-95.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=CN=C1Cl	REAL300000400692	0	27	-2.0	-101.31	295.64	4.08	-97.23
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400694	0	38	-2.0	-101.13	351.54	4.61	-96.52
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400695	0	36	-2.0	-104.06	350.94	6.28	-97.78
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400696	0	36	-2.0	-103.69	346.77	5.99	-97.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=CN=C1Cl	REAL300000400697	0	30	-2.0	-103.63	309.98	4.88	-98.75
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400698	0	39	-2.0	-107.62	372.24	5.87	-101.75
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000400699	0	36	-2.0	-102.30	344.51	3.52	-98.78
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000400700	0	39	-2.0	-99.87	366.12	5.62	-94.25
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=C2O1	REAL300000400701	0	38	-2.0	-113.69	351.14	4.73	-108.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=CN=C1Cl	REAL300000400702	0	30	-2.0	-106.27	300.02	2.14	-104.13
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400703	0	33	-2.0	-94.61	327.97	5.30	-89.31
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400704	0	34	-2.0	-104.08	324.78	3.73	-100.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=CN=C1Cl	REAL300000400705	0	27	-2.0	-103.04	295.77	4.37	-98.67
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400706	1	33	-2.0	-125.34	317.82	1.11	-124.23
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000400707	0	36	-2.0	-104.46	340.72	6.44	-98.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=CN=C1Cl	REAL300000400708	0	24	-2.0	-100.17	281.39	2.97	-97.20
CC1=CSC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400709	0	27	-2.0	-100.42	286.98	3.17	-97.25
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400710	0	40	-2.0	-106.45	369.90	3.86	-102.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CN=C1Cl	REAL300000400711	0	24	-2.0	-98.31	271.70	0.31	-98.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=CN=C1Cl	REAL300000400712	0	32	-2.0	-109.62	327.91	4.58	-105.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=CN=C1Cl	REAL300000400713	0	26	-2.0	-97.14	280.34	1.62	-95.52
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400714	0	36	-2.0	-96.76	337.96	2.57	-94.19
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400715	0	36	-2.0	-96.39	342.58	2.06	-94.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=CN=C1Cl	REAL300000400717	1	35	-2.0	-100.17	333.94	4.48	-95.69
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=CN=C1Cl	REAL300000400718	0	30	-2.0	-98.09	309.59	3.97	-94.12
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400719	0	32	-2.0	-110.32	320.42	2.48	-107.84
CC1=NSC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400720	0	26	-2.0	-94.88	281.91	1.82	-93.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC(=O)S2)=CN=C1Cl	REAL300000400721	1	24	-2.0	-95.52	270.25	-0.60	-96.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=CN=C1Cl	REAL300000400722	0	31	-2.0	-98.69	322.24	2.23	-96.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=CN=C1Cl	REAL300000400722	1	30	-3.0	-180.80	318.36	3.06	-177.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=CN=C1Cl	REAL300000400723	0	33	-2.0	-97.27	329.34	4.91	-92.36
O=C([O-])C1=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=CN=C1Cl	REAL300000400724	1	31	-2.0	-125.92	304.60	0.78	-125.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=CN=C1Cl	REAL300000400725	0	34	-2.0	-101.66	322.64	5.61	-96.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CN=C1Cl	REAL300000400726	0	24	-2.0	-102.09	271.69	2.56	-99.53
CC1=CC2=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000400727	0	36	-2.0	-98.64	344.91	3.27	-95.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=CN=C1Cl	REAL300000400728	0	33	-2.0	-114.61	334.24	1.93	-112.68
CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000400729	0	30	-2.0	-102.26	312.05	2.35	-99.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=CN=C1Cl	REAL300000400730	0	36	-2.0	-101.24	338.24	5.12	-96.12
N#CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000400731	0	28	-2.0	-92.61	300.13	3.95	-88.66
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000400734	0	32	-2.0	-94.46	325.77	4.87	-89.59
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400735	0	33	-2.0	-105.11	324.54	4.86	-100.25
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400735	1	32	-3.0	-166.12	321.41	4.91	-161.21
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=CN=C1Cl	REAL300000400736	0	28	-2.0	-100.69	306.30	2.80	-97.89
CS(C)(=O)=NS(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400738	1	27	-2.0	-124.65	278.76	-0.54	-125.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=CN=C1Cl	REAL300000400739	0	27	-2.0	-93.49	305.99	3.70	-89.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NC=CN2)=CN=C1Cl	REAL300000400740	0	24	-2.0	-103.80	255.04	0.10	-103.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=CN=C1Cl	REAL300000400741	0	32	-2.0	-106.61	310.41	0.43	-106.18
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400742	0	30	-2.0	-102.12	303.02	4.13	-97.99
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CN=C1C	REAL300000400743	0	35	-2.0	-94.55	339.68	2.85	-91.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=CN=C1Cl	REAL300000400744	0	28	-2.0	-91.80	296.81	2.37	-89.43
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400745	0	29	-2.0	-93.34	300.97	2.89	-90.45
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000400746	0	33	-2.0	-95.06	327.86	5.02	-90.04
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400747	0	36	-2.0	-107.77	350.37	4.94	-102.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=CN=C1Cl	REAL300000400748	0	29	-2.0	-92.82	313.18	3.39	-89.43
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=NN1C	REAL300000400752	0	30	-2.0	-99.95	294.08	1.75	-98.20
C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400753	0	31	-2.0	-102.28	304.49	4.60	-97.68
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400754	0	40	-2.0	-113.73	365.56	4.34	-109.39
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400755	0	30	-2.0	-100.44	296.80	1.86	-98.58
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400756	0	34	-2.0	-99.35	345.23	3.73	-95.62
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400757	0	27	-2.0	-93.34	289.29	2.10	-91.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=CN=C1Cl	REAL300000400759	0	32	-2.0	-99.78	319.85	0.71	-99.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=CN=C1Cl	REAL300000400761	0	27	-2.0	-99.54	289.09	1.03	-98.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=CN=C1Cl	REAL300000400762	0	33	-2.0	-96.35	319.72	3.44	-92.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=CN=C1Cl	REAL300000400764	0	35	-2.0	-93.16	344.56	2.08	-91.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=CN=C1Cl	REAL300000400765	0	34	-2.0	-107.12	329.41	3.26	-103.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=CN=C1Cl	REAL300000400766	0	30	-2.0	-98.25	310.65	1.09	-97.16
COC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000400767	0	31	-2.0	-95.88	318.95	3.36	-92.52
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400768	0	31	-2.0	-109.91	325.00	0.15	-109.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CN=C1Cl	REAL300000400769	0	29	-3.0	-176.61	305.53	4.11	-172.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=CN=C1Cl	REAL300000400770	0	24	-2.0	-106.26	273.87	1.46	-104.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=CN=C1Cl	REAL300000400771	0	29	-2.0	-112.65	304.61	2.92	-109.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=CN=C1Cl	REAL300000400772	0	32	-2.0	-104.36	309.21	3.37	-100.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=CN=C1Cl	REAL300000400774	0	33	-2.0	-109.67	323.93	5.82	-103.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=CN=C1Cl	REAL300000400775	0	30	-2.0	-105.88	313.58	2.57	-103.31
CCC1=CC(CC)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(CC)=C1	REAL300000400776	1	45	-2.0	-101.60	378.17	8.39	-93.21
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400777	0	30	-2.0	-103.63	300.54	5.02	-98.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=CN=C1Cl	REAL300000400778	0	31	-2.0	-99.62	317.82	3.64	-95.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CN=C1Cl	REAL300000400779	0	32	-2.0	-111.47	309.72	3.34	-108.13
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C2=CC=CC(C)=C2S1	REAL300000400780	0	36	-2.0	-104.61	344.50	6.51	-98.10
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(F)=C1	REAL300000400786	0	30	-2.0	-108.21	303.32	4.46	-103.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=CN=C1Cl	REAL300000400787	0	26	-2.0	-94.90	298.46	2.70	-92.20
CN1N=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1Br	REAL300000400788	0	27	-2.0	-96.71	296.99	1.67	-95.04
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000400789	0	32	-2.0	-101.52	317.26	1.97	-99.55
CS(=O)(=NS(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000400790	1	34	-2.0	-122.00	335.59	2.24	-119.76
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400791	0	32	-3.0	-162.38	326.81	4.75	-157.63
CC1=C(F)C=C(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000400791	1	33	-2.0	-103.00	329.25	4.76	-98.24
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400793	0	31	-2.0	-104.96	308.08	3.36	-101.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=CN=C1Cl	REAL300000400794	0	30	-2.0	-92.84	313.01	2.60	-90.24
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000400795	0	35	-2.0	-100.43	335.86	5.34	-95.09
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400796	0	43	-2.0	-110.17	377.87	5.60	-104.57
COC1=NC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000400798	0	30	-2.0	-92.96	316.67	0.74	-92.22
CC1=NOC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400799	0	26	-2.0	-93.06	270.37	1.46	-91.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=CN=C1Cl	REAL300000400800	0	31	-2.0	-96.75	323.16	1.65	-95.10
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000400801	0	30	-2.0	-96.75	308.89	4.60	-92.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CN=C1Cl	REAL300000400802	0	33	-2.0	-110.52	321.53	4.50	-106.02
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C([N+](=O)[O-])S1	REAL300000400803	0	29	-2.0	-108.71	308.00	4.72	-103.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=CN=C1Cl	REAL300000400805	0	30	-2.0	-97.01	315.42	1.70	-95.31
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CN=C1Cl	REAL300000400806	0	26	-2.0	-104.44	273.92	1.68	-102.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CN=C1Cl	REAL300000400809	0	26	-2.0	-92.80	274.81	1.66	-91.14
N#CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=CS1	REAL300000400811	0	25	-2.0	-105.67	283.82	2.91	-102.76
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400812	0	34	-2.0	-106.65	339.35	5.29	-101.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=CN=C1Cl	REAL300000400815	0	27	-2.0	-93.50	296.02	4.07	-89.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=CN=C1Cl	REAL300000400816	0	36	-2.0	-106.69	335.11	3.86	-102.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=CN=C1Cl	REAL300000400817	0	35	-2.0	-111.01	325.60	4.72	-106.29
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400818	0	37	-2.0	-102.28	346.94	2.49	-99.79
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400824	0	34	-2.0	-112.03	329.35	0.94	-111.09
CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(=O)NC1=O	REAL300000400825	1	30	-2.0	-106.12	301.82	0.20	-105.92
COC(=O)C1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000400827	0	33	-2.0	-102.02	322.65	2.59	-99.43
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000400828	0	38	-2.0	-103.76	359.13	2.69	-101.07
CC1=NC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)N1C	REAL300000400831	0	30	-2.0	-99.39	291.73	2.53	-96.86
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400832	0	40	-2.0	-101.83	363.45	5.17	-96.66
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000400835	0	32	-2.0	-107.34	318.67	5.60	-101.74
CCC1=NC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CN1CC1CC1	REAL300000400836	0	40	-2.0	-112.60	372.29	5.46	-107.14
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000400837	0	33	-2.0	-96.68	330.85	2.88	-93.80
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=C2C1	REAL300000400838	0	38	-2.0	-107.78	357.18	4.01	-103.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=CN=C1Cl	REAL300000400839	0	30	-2.0	-98.58	313.16	3.02	-95.56
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=C1[N+](=O)[O-]	REAL300000400840	0	35	-2.0	-98.56	337.04	5.85	-92.71
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400841	0	30	-2.0	-89.28	315.02	2.14	-87.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=CN=C1Cl	REAL300000400842	0	26	-2.0	-97.66	290.79	2.11	-95.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=CN=C1Cl	REAL300000400843	0	37	-2.0	-112.80	339.51	6.92	-105.88
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(F)=C1F	REAL300000400845	0	30	-2.0	-104.61	305.54	4.28	-100.33
COC(=O)C1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)OC=C1	REAL300000400846	0	30	-2.0	-109.40	309.68	2.54	-106.86
CCC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C(C)C=C1OC	REAL300000400847	1	40	-2.0	-101.75	359.66	5.08	-96.67
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000400848	0	29	-2.0	-113.93	301.78	2.41	-111.52
CCCCN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=N1	REAL300000400849	0	39	-2.0	-100.06	361.33	4.27	-95.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400850	0	28	-3.0	-164.14	298.86	2.13	-162.01
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400851	0	31	-2.0	-101.19	306.16	3.65	-97.54
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C(C)C	REAL300000400852	1	43	-2.0	-101.56	383.39	5.75	-95.81
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000400853	0	39	-2.0	-98.95	351.64	5.76	-93.19
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400854	0	28	-2.0	-93.63	300.66	3.97	-89.66
CN1N=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000400855	0	30	-2.0	-97.17	306.56	2.14	-95.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=CN=C1Cl	REAL300000400856	0	29	-2.0	-101.15	296.68	2.56	-98.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=CN=C1Cl	REAL300000400857	0	31	-2.0	-109.18	307.15	3.48	-105.70
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400858	0	37	-2.0	-98.64	334.39	3.62	-95.02
CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300000400859	0	39	-2.0	-99.90	341.83	4.12	-95.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=CN=C1Cl	REAL300000400861	0	37	-2.0	-99.37	340.84	3.86	-95.51
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400862	0	30	-2.0	-93.60	307.73	2.41	-91.19
CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(Br)=N1	REAL300000400863	0	27	-2.0	-100.66	298.66	1.72	-98.94
CS(=O)(=NS(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1)C1CCCCC1	REAL300000400866	1	40	-2.0	-123.53	361.05	2.93	-120.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=CN=C1Cl	REAL300000400867	0	28	-2.0	-99.45	289.59	1.27	-98.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])=CN=C1Cl	REAL300000400867	1	27	-3.0	-181.93	286.03	2.13	-179.80
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400868	0	37	-2.0	-101.47	350.63	6.28	-95.19
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400869	0	30	-2.0	-115.34	305.69	1.09	-114.25
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400870	0	33	-2.0	-100.89	317.57	2.60	-98.29
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000400871	0	32	-2.0	-101.35	318.43	3.99	-97.36
NC1=NC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400872	0	27	-2.0	-95.20	278.63	0.86	-94.34
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C#N)=C1	REAL300000400873	0	31	-2.0	-109.10	312.92	4.45	-104.65
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400874	0	31	-2.0	-109.58	305.07	4.74	-104.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=CN=C1Cl	REAL300000400875	0	30	-2.0	-96.28	310.09	4.40	-91.88
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1CC	REAL300000400877	1	43	-2.0	-100.65	387.97	6.02	-94.63
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400878	0	34	-2.0	-105.58	337.18	5.46	-100.12
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400879	0	33	-2.0	-96.41	320.26	5.70	-90.71
COC1=NSC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400880	0	27	-2.0	-92.21	292.66	-0.68	-92.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NS2)=CN=C1Cl	REAL300000400882	0	23	-2.0	-94.63	260.15	1.21	-93.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400885	0	33	-3.0	-160.38	330.08	3.88	-156.50
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C(C(N)=O)O1	REAL300000400886	0	31	-2.0	-99.83	312.95	-0.87	-100.70
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400887	0	36	-2.0	-101.66	325.13	6.01	-95.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=CN=C1Cl	REAL300000400888	0	27	-2.0	-97.20	293.65	3.42	-93.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C(Cl)O1	REAL300000400890	0	26	-3.0	-155.09	302.02	3.05	-152.04
O=C([O-])C1=CC(S(=O)(=O)NC2=CN=C(Cl)C(C(=O)[O-])=C2)=C(Cl)O1	REAL300000400890	1	27	-2.0	-92.89	292.01	2.54	-90.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=CN=C1Cl	REAL300000400891	0	32	-2.0	-111.02	309.65	4.03	-106.99
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400892	0	34	-2.0	-103.15	334.83	3.70	-99.45
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1F	REAL300000400893	0	28	-2.0	-104.97	299.23	3.94	-101.03
CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)N=N1	REAL300000400894	0	26	-2.0	-106.33	272.36	-0.17	-106.50
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400895	0	30	-2.0	-92.66	327.98	2.79	-89.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=CN=C1Cl	REAL300000400896	0	34	-2.0	-99.72	323.31	3.19	-96.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=CN=C1Cl	REAL300000400897	0	34	-2.0	-96.83	318.63	3.48	-93.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=CN=C1Cl	REAL300000400898	0	37	-2.0	-97.06	342.62	4.13	-92.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CN=C1Cl	REAL300000400899	0	27	-3.0	-178.06	312.38	3.11	-174.95
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CN=C1Cl	REAL300000400899	1	28	-2.0	-89.85	305.30	3.04	-86.81
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=NN2C1	REAL300000400900	0	38	-2.0	-106.66	348.46	1.53	-105.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=CN=C1Cl	REAL300000400901	0	33	-2.0	-100.85	340.25	4.42	-96.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=CN=C1Cl	REAL300000400902	0	33	-2.0	-99.98	324.14	0.75	-99.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=CN=C1Cl	REAL300000400903	0	24	-2.0	-99.57	277.52	2.11	-97.46
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000400904	0	31	-2.0	-92.24	319.28	3.06	-89.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=CN=C1Cl	REAL300000400905	0	34	-2.0	-103.06	317.80	3.53	-99.53
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000400906	0	31	-2.0	-99.34	314.61	2.95	-96.39
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000400907	1	43	-2.0	-103.70	376.96	5.55	-98.15
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400908	0	37	-2.0	-106.87	347.86	4.92	-101.95
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400909	0	30	-2.0	-98.41	296.46	4.22	-94.19
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=C2O1	REAL300000400910	0	35	-2.0	-112.31	330.87	4.10	-108.21
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400911	0	35	-2.0	-98.70	342.09	3.18	-95.52
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=C2)CC1	REAL300000400912	0	35	-2.0	-103.58	341.65	5.71	-97.87
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400913	0	31	-2.0	-104.84	309.89	4.17	-100.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=CN=C1Cl	REAL300000400914	0	24	-2.0	-99.66	278.86	2.95	-96.71
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400915	0	27	-2.0	-90.55	294.35	1.68	-88.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=CN=C1Cl	REAL300000400916	0	29	-2.0	-92.92	307.31	2.67	-90.25
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400917	0	32	-2.0	-116.01	315.15	3.10	-112.91
CCN1N=NC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400918	0	29	-2.0	-90.40	288.64	0.84	-89.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=CN=C1Cl	REAL300000400920	0	28	-2.0	-91.72	288.30	2.30	-89.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=CN=C1Cl	REAL300000400921	0	30	-2.0	-103.46	312.27	4.94	-98.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=CN=C1Cl	REAL300000400922	0	30	-2.0	-115.07	318.32	3.22	-111.85
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400923	0	34	-2.0	-95.76	325.35	3.24	-92.52
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=C1F	REAL300000400924	0	36	-2.0	-99.46	329.16	5.87	-93.59
COC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1OC	REAL300000400925	0	35	-2.0	-105.84	329.17	3.43	-102.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=CN=C1Cl	REAL300000400926	0	36	-2.0	-108.87	341.74	0.74	-108.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=CN=C1Cl	REAL300000400927	0	30	-2.0	-104.09	303.19	3.80	-100.29
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1OC	REAL300000400928	0	35	-2.0	-109.85	332.84	3.84	-106.01
CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000400929	0	40	-2.0	-103.79	362.20	4.42	-99.37
N#CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C2=CC=CC=C2S1	REAL300000400930	0	31	-2.0	-106.05	324.27	5.44	-100.61
CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000400931	0	34	-2.0	-102.71	328.71	3.43	-99.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=CN=C1Cl	REAL300000400932	0	31	-2.0	-101.48	312.67	3.08	-98.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=CN=C1Cl	REAL300000400933	0	30	-2.0	-109.04	302.85	2.71	-106.33
CN1N=NC2=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C=CC=C21	REAL300000400934	0	32	-2.0	-119.58	317.96	1.93	-117.65
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=C21	REAL300000400935	0	34	-2.0	-102.98	314.36	5.43	-97.55
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CN=C1N	REAL300000400936	0	31	-2.0	-101.47	301.44	1.22	-100.25
COC1=NSC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400937	0	27	-2.0	-99.64	290.73	-0.63	-100.27
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)N=CN1	REAL300000400938	0	27	-2.0	-110.56	272.34	1.59	-108.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=CN=C1Cl	REAL300000400940	0	30	-2.0	-100.12	307.13	3.89	-96.23
CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000400941	0	37	-2.0	-103.16	344.96	3.91	-99.25
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400942	0	45	-2.0	-105.87	387.65	7.43	-98.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=CN=C1Cl	REAL300000400943	0	24	-2.0	-98.98	279.25	3.05	-95.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=CN=C1Cl	REAL300000400944	0	37	-2.0	-100.28	347.39	4.16	-96.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=CN=C1Cl	REAL300000400945	0	31	-2.0	-106.75	313.20	4.55	-102.20
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400946	0	40	-2.0	-110.24	363.21	1.92	-108.32
COC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000400947	0	36	-2.0	-126.20	338.85	4.72	-121.48
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400948	0	36	-2.0	-103.18	337.81	5.71	-97.47
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400949	0	33	-2.0	-93.92	328.70	1.91	-92.01
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400950	0	28	-2.0	-104.82	297.92	3.86	-100.96
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400951	0	34	-2.0	-99.12	318.09	3.09	-96.03
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400953	0	33	-2.0	-101.44	303.07	5.14	-96.30
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400954	0	36	-2.0	-94.80	320.45	3.42	-91.38
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400955	0	36	-2.0	-100.36	337.91	3.23	-97.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=CN=C1Cl	REAL300000400956	0	34	-2.0	-100.41	321.93	2.61	-97.80
CC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000400957	0	32	-2.0	-92.51	324.35	3.33	-89.18
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000400958	0	38	-2.0	-99.22	347.69	4.32	-94.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=CN=C1Cl	REAL300000400959	0	29	-2.0	-87.16	312.45	4.25	-82.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=CN=C1Cl	REAL300000400960	0	30	-2.0	-92.98	318.56	4.57	-88.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=CN=C1Cl	REAL300000400961	0	30	-2.0	-101.31	301.42	4.32	-96.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=CN=C1Cl	REAL300000400962	0	27	-2.0	-101.03	294.94	3.89	-97.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=CN=C1Cl	REAL300000400963	0	27	-2.0	-94.09	305.16	3.62	-90.47
CC1=NN(C)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400964	0	30	-2.0	-95.17	295.59	1.73	-93.44
CC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000400966	0	33	-2.0	-102.76	306.62	4.84	-97.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=CN=C1Cl	REAL300000400967	0	30	-2.0	-100.90	301.20	4.52	-96.38
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400968	0	38	-2.0	-111.34	358.00	5.53	-105.81
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000400970	0	37	-2.0	-105.33	353.65	5.21	-100.12
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400971	0	36	-2.0	-102.47	351.85	5.16	-97.31
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000400972	0	28	-2.0	-102.38	306.03	4.37	-98.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=CN=C1Cl	REAL300000400973	0	27	-2.0	-102.28	293.42	3.75	-98.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=CN=C1Cl	REAL300000400974	0	34	-2.0	-103.20	322.64	5.61	-97.59
COC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=CS1	REAL300000400975	0	28	-2.0	-105.29	295.68	1.95	-103.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=CN=C1Cl	REAL300000400976	0	30	-2.0	-100.49	305.68	4.96	-95.53
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400977	0	33	-2.0	-97.04	339.59	3.86	-93.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=CN=C1Cl	REAL300000400978	0	34	-2.0	-104.87	328.13	5.67	-99.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=CN=C1Cl	REAL300000400979	0	37	-2.0	-97.10	338.23	4.11	-92.99
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400980	0	36	-2.0	-96.35	333.37	3.41	-92.94
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000400981	0	36	-2.0	-107.75	344.65	1.02	-106.73
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400983	0	30	-2.0	-108.38	327.35	0.01	-108.37
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)C2=N1	REAL300000400984	0	32	-2.0	-111.65	317.02	1.88	-109.77
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000400985	0	30	-2.0	-101.08	299.50	3.11	-97.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=CN=C1Cl	REAL300000400986	0	27	-2.0	-94.59	297.27	2.73	-91.86
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400987	0	31	-2.0	-98.00	314.36	3.43	-94.57
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400988	0	33	-2.0	-102.01	326.62	5.03	-96.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=CN=C1Cl	REAL300000400989	0	31	-2.0	-101.44	312.67	3.08	-98.36
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000400991	0	28	-2.0	-98.64	297.20	1.96	-96.68
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000400992	0	38	-2.0	-118.58	344.86	5.81	-112.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CN=C1Cl	REAL300000400994	0	30	-2.0	-97.44	306.09	2.21	-95.23
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000400995	0	37	-2.0	-103.94	350.33	4.19	-99.75
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000400996	0	30	-2.0	-97.97	325.09	2.97	-95.00
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000400997	0	37	-2.0	-97.51	353.09	4.70	-92.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=CN=C1Cl	REAL300000400998	0	40	-2.0	-99.32	359.80	4.46	-94.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CN=C1Cl	REAL300000400999	0	30	-2.0	-104.01	293.96	4.47	-99.54
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000401000	0	39	-2.0	-107.65	360.30	6.12	-101.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CN=C1Cl	REAL300000401001	0	30	-2.0	-104.49	298.92	3.91	-100.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=CN=C1Cl	REAL300000401002	0	29	-2.0	-103.11	304.36	2.90	-100.21
CCN1N=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000401003	0	29	-2.0	-99.25	294.12	0.38	-98.87
CCN1N=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000401004	0	30	-2.0	-97.30	315.11	2.43	-94.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=CN=C1Cl	REAL300000401005	0	29	-2.0	-96.40	314.42	2.78	-93.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CN=C1Cl	REAL300000401006	0	24	-2.0	-95.31	273.16	2.12	-93.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=CN=C1Cl	REAL300000401007	0	32	-2.0	-111.09	326.62	4.48	-106.61
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000401008	0	36	-2.0	-110.84	332.19	6.36	-104.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=CN=C1Cl	REAL300000401009	1	34	-2.0	-102.38	331.35	3.87	-98.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=CN=C1Cl	REAL300000401010	0	27	-2.0	-97.09	300.93	4.12	-92.97
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000401011	0	33	-2.0	-111.83	337.07	-0.20	-112.03
CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300000401012	0	37	-2.0	-105.52	350.83	4.93	-100.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=CN=C1Cl	REAL300000401014	0	31	-2.0	-101.69	317.23	4.83	-96.86
N#CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000401015	0	30	-2.0	-93.19	318.88	4.32	-88.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=CN=C1Cl	REAL300000401017	0	23	-2.0	-91.79	277.34	1.94	-89.85
CC1=COC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000401018	0	27	-2.0	-100.44	278.00	2.18	-98.26
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000401019	0	37	-2.0	-101.76	360.09	5.42	-96.34
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=NN1	REAL300000401020	0	33	-2.0	-99.69	333.78	1.30	-98.39
COC1=CSC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1OC	REAL300000401021	0	32	-2.0	-102.03	327.30	2.19	-99.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CN=C1Cl	REAL300000401022	0	27	-3.0	-154.86	309.99	2.54	-152.32
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CN=C1Cl	REAL300000401022	1	28	-2.0	-87.85	312.60	2.53	-85.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=CN=C1Cl	REAL300000401023	0	26	-2.0	-88.61	291.04	2.15	-86.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=CN=C1Cl	REAL300000401024	0	31	-2.0	-100.66	318.90	3.15	-97.51
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000401025	0	33	-2.0	-100.02	317.81	3.45	-96.57
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CN=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000401026	0	34	-2.0	-108.13	327.12	5.28	-102.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=CN=C1Cl	REAL300000401027	0	30	-2.0	-104.31	304.11	4.92	-99.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=CN=C1Cl	REAL300000401028	0	24	-2.0	-91.06	298.48	3.61	-87.45
CN1N=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000401029	0	27	-2.0	-97.05	293.27	1.57	-95.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=CN=C1Cl	REAL300000401030	0	32	-2.0	-99.74	326.09	4.21	-95.53
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000401031	0	33	-2.0	-113.88	311.25	5.33	-108.55
N#CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)OC=C1	REAL300000401032	0	25	-2.0	-100.87	276.09	1.97	-98.90
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000401033	0	29	-2.0	-93.10	301.16	2.90	-90.20
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000401034	0	38	-2.0	-104.88	357.06	5.13	-99.75
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000401035	0	37	-2.0	-102.89	350.23	4.30	-98.59
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000401036	0	31	-2.0	-107.93	311.65	2.86	-105.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=CN=C1Cl	REAL300000401037	0	33	-2.0	-99.94	336.05	6.29	-93.65
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(=O)NC(=O)N1	REAL300000401038	1	30	-2.0	-105.48	296.49	-0.77	-106.25
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000401040	0	40	-2.0	-98.00	360.19	4.66	-93.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CN=C1Cl	REAL300000401041	0	24	-2.0	-98.19	272.18	2.01	-96.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CN=C1Cl	REAL300000401042	0	24	-2.0	-95.57	282.22	3.02	-92.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=CN=C1Cl	REAL300000401043	0	33	-2.0	-105.75	332.27	6.34	-99.41
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000401044	0	35	-2.0	-97.06	325.69	1.25	-95.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=CN=C1Cl	REAL300000401045	0	34	-2.0	-105.58	316.97	5.67	-99.91
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C)=N1	REAL300000401049	0	33	-2.0	-95.72	316.26	0.95	-94.77
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000401050	0	33	-2.0	-105.83	320.83	1.32	-104.51
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000401051	0	30	-2.0	-99.90	316.12	1.19	-98.71
COC1=NC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000401052	0	33	-2.0	-96.66	320.73	0.92	-95.74
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000401053	0	36	-2.0	-99.32	336.37	3.66	-95.66
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000401054	0	36	-2.0	-100.67	337.01	3.24	-97.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=CN=C1Cl	REAL300000401055	0	26	-2.0	-100.88	301.07	1.45	-99.43
N#CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=CO1	REAL300000401056	0	25	-2.0	-102.10	276.37	1.92	-100.18
N#CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)SC=C1	REAL300000401057	0	25	-2.0	-104.24	282.90	2.89	-101.35
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000401058	0	33	-2.0	-95.84	315.16	2.77	-93.07
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000401059	0	35	-2.0	-94.53	340.22	2.88	-91.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CN=C1Cl	REAL300000401060	0	36	-3.0	-162.33	348.00	5.96	-156.37
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CN=C1Cl	REAL300000401060	1	37	-2.0	-96.51	350.43	5.97	-90.54
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000401061	0	30	-2.0	-109.00	312.71	5.28	-103.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CN=C1Cl	REAL300000401062	0	34	-2.0	-95.92	325.63	3.63	-92.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=CN=C1Cl	REAL300000401063	0	34	-2.0	-101.69	325.36	4.73	-96.96
COC1=NOC(CS(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000401064	1	30	-2.0	-97.45	304.46	-0.17	-97.62
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=NN1C(C)C	REAL300000401065	0	36	-2.0	-100.69	337.91	3.26	-97.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=CN=C1Cl	REAL300000401066	0	34	-2.0	-107.36	333.29	5.71	-101.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=CN=C1Cl	REAL300000401067	0	29	-2.0	-97.56	300.76	2.53	-95.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=CN=C1Cl	REAL300000401069	0	34	-2.0	-102.45	334.94	5.74	-96.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)=CN=C1Cl	REAL300000401070	0	31	-2.0	-104.11	323.87	3.98	-100.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CN=C1Cl	REAL300000401071	0	36	-3.0	-170.53	347.34	5.95	-164.58
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CN=C1Cl	REAL300000401071	1	37	-2.0	-106.70	349.72	5.97	-100.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CN=C1Cl	REAL300000401072	0	28	-2.0	-102.65	284.44	0.65	-102.00
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000401073	0	36	-2.0	-106.59	338.44	5.20	-101.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=CN=C1Cl	REAL300000401074	0	30	-2.0	-110.39	313.08	4.50	-105.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=CN=C1Cl	REAL300000401075	0	23	-2.0	-92.99	259.06	1.10	-91.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=CN=C1Cl	REAL300000401076	0	31	-2.0	-112.83	321.47	2.77	-110.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=CN=C1Cl	REAL300000401077	0	34	-2.0	-109.77	329.24	5.80	-103.97
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(Cl)=C1Cl	REAL300000401078	0	30	-2.0	-101.59	320.45	5.12	-96.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=CN=C1Cl	REAL300000401079	0	34	-2.0	-101.47	341.35	4.57	-96.90
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C(C(F)F)=C1	REAL300000401080	0	34	-2.0	-108.14	323.85	4.10	-104.04
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000401081	0	32	-2.0	-109.42	314.20	3.10	-106.32
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CN=C(Cl)C(C(=O)[O-])=C1	REAL300000401082	0	33	-2.0	-118.46	326.09	5.02	-113.44
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000401083	0	35	-2.0	-118.31	331.14	4.68	-113.63
CCC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000401084	0	32	-3.0	-160.71	324.01	4.07	-156.64
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000401085	0	40	-2.0	-111.46	362.87	5.51	-105.95
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000401086	0	27	-2.0	-94.99	298.66	3.91	-91.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=CN=C1Cl	REAL300000401087	0	23	-2.0	-96.98	260.00	0.63	-96.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=CN=C1Cl	REAL300000401088	0	34	-2.0	-101.54	319.14	2.83	-98.71
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000401089	0	30	-2.0	-106.55	300.33	4.23	-102.32
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000401090	0	42	-2.0	-96.98	390.42	4.17	-92.81
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000401091	0	35	-2.0	-113.61	338.49	5.61	-108.00
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1C#N	REAL300000401092	0	43	-2.0	-113.76	393.53	6.71	-107.05
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000401093	0	35	-2.0	-103.81	333.94	5.59	-98.22
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000401094	0	35	-2.0	-116.19	333.95	5.58	-110.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1C#N	REAL300000401095	0	39	-2.0	-120.78	362.10	5.39	-115.39
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000401096	0	39	-2.0	-103.04	365.41	6.88	-96.16
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000401097	0	38	-2.0	-117.29	349.97	6.12	-111.17
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000401098	0	35	-2.0	-111.13	347.02	6.16	-104.97
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000401099	0	35	-2.0	-111.95	346.47	5.97	-105.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)=C1C	REAL300000401100	0	41	-2.0	-118.41	366.62	6.95	-111.46
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000401101	0	35	-2.0	-112.84	339.43	5.65	-107.19
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000401102	0	41	-2.0	-102.15	377.52	7.18	-94.97
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000401103	0	32	-2.0	-110.54	327.14	4.61	-105.93
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1C#N	REAL300000401104	0	38	-2.0	-116.18	349.39	6.37	-109.81
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000401105	0	39	-2.0	-101.84	365.02	5.87	-95.97
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000401106	0	36	-2.0	-114.79	340.60	4.94	-109.85
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1C#N	REAL300000401107	0	39	-2.0	-117.05	357.74	4.43	-112.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)=C1	REAL300000401108	0	35	-2.0	-106.78	343.06	5.27	-101.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000401109	0	41	-2.0	-117.42	365.40	6.90	-110.52
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000401110	0	32	-2.0	-111.90	325.61	4.61	-107.29
COC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)=CC(C(=O)[O-])=C1OC	REAL300000401111	0	43	-2.0	-116.87	392.28	5.39	-111.48
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000401112	0	39	-2.0	-122.19	361.24	5.65	-116.54
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000401113	0	45	-2.0	-120.20	389.19	8.22	-111.98
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1C#N	REAL300000401114	0	44	-2.0	-118.36	387.87	7.59	-110.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1C#N	REAL300000401115	0	41	-2.0	-114.33	364.05	7.31	-107.02
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1C#N	REAL300000401116	0	42	-2.0	-122.22	384.36	6.16	-116.06
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000401117	0	37	-3.0	-192.73	362.35	6.15	-186.58
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000401118	0	42	-2.0	-120.43	378.20	7.47	-112.96
CC1=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000401119	0	35	-2.0	-109.71	336.96	4.73	-104.98
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000401120	0	41	-2.0	-121.12	376.12	5.36	-115.76
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)=C1	REAL300000401121	0	39	-2.0	-117.70	362.93	4.68	-113.02
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000401122	0	43	-2.0	-103.21	387.58	6.20	-97.01
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000401123	0	35	-2.0	-107.86	351.55	6.18	-101.68
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300000401124	0	39	-2.0	-100.32	381.05	6.41	-93.91
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)=CC=C1OCC(=O)[O-]	REAL300000401125	0	42	-2.0	-102.35	385.11	6.58	-95.77
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1C#N	REAL300000401126	0	38	-2.0	-107.03	354.67	6.40	-100.63
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000401127	0	39	-2.0	-101.32	371.24	5.93	-95.39
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000401128	0	42	-2.0	-122.88	383.12	6.55	-116.33
CC1=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C=C(C(=O)[O-])S1	REAL300000401129	0	35	-2.0	-112.69	343.63	5.47	-107.22
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000401130	0	35	-2.0	-101.49	347.00	6.15	-95.34
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000401131	0	35	-2.0	-103.27	338.48	5.62	-97.65
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000401132	0	32	-2.0	-105.47	326.21	4.71	-100.76
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000401133	0	35	-2.0	-107.04	340.35	5.65	-101.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)=C1F	REAL300000401134	0	38	-2.0	-114.28	359.68	6.29	-107.99
COC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)=C(Cl)C=C1C(=O)[O-]	REAL300000401135	0	39	-2.0	-106.16	374.28	6.21	-99.95
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000401136	0	35	-2.0	-103.35	339.41	5.66	-97.69
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000401137	0	35	-2.0	-101.42	346.45	5.99	-95.43
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1C#N	REAL300000401138	0	38	-2.0	-108.66	363.40	6.79	-101.87
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000401139	0	43	-2.0	-99.62	397.69	7.00	-92.62
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000401140	0	35	-2.0	-105.28	344.78	5.68	-99.60
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000401141	0	37	-2.0	-101.19	362.14	6.25	-94.94
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000401142	0	35	-3.0	-213.41	340.10	4.19	-209.22
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000401142	1	36	-2.0	-114.72	343.66	3.31	-111.41
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000401143	0	38	-2.0	-106.72	356.12	6.37	-100.35
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000401144	0	35	-2.0	-106.74	354.67	6.12	-100.62
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1C#N	REAL300000401145	0	38	-2.0	-113.17	344.04	6.22	-106.95
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)=CC(C(=O)[O-])=C1F	REAL300000401146	0	38	-2.0	-115.11	358.79	6.24	-108.87
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1C#N	REAL300000401147	0	38	-2.0	-103.88	349.37	6.36	-97.52
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)=CC(C(=O)[O-])=C1C	REAL300000401148	0	41	-2.0	-120.68	370.76	6.76	-113.92
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000401149	0	37	-2.0	-114.41	360.51	6.67	-107.74
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000401150	0	35	-2.0	-104.72	345.71	5.71	-99.01
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C(C)=C1C(=O)[O-]	REAL300000401151	0	41	-2.0	-117.57	368.44	6.97	-110.60
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000401152	0	38	-2.0	-115.14	359.30	6.28	-108.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)=C1Cl	REAL300000401153	0	38	-2.0	-112.94	365.68	6.73	-106.21
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)=C1	REAL300000401154	0	38	-2.0	-121.87	359.00	6.27	-115.60
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000401155	0	41	-2.0	-117.99	368.17	6.77	-111.22
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C=C1CC(=O)[O-]	REAL300000401156	0	42	-2.0	-117.13	384.43	5.71	-111.42
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1C#N	REAL300000401157	0	38	-2.0	-106.39	360.23	6.77	-99.62
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)=CC(C(=O)[O-])=C1Cl	REAL300000401158	0	38	-2.0	-113.89	365.18	6.54	-107.35
CCN1C=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000401159	0	39	-2.0	-116.03	361.98	5.81	-110.22
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C(C)=C1CC(=O)[O-]	REAL300000401160	0	47	-2.0	-117.68	399.10	8.46	-109.22
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000401161	0	38	-2.0	-109.66	363.81	6.55	-103.11
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=N1	REAL300000401162	0	44	-2.0	-112.54	383.38	7.68	-104.86
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000401163	0	39	-2.0	-116.75	374.27	6.21	-110.54
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)=CC=C1C(=O)[O-]	REAL300000401164	0	38	-2.0	-104.03	349.96	6.13	-97.90
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000401165	0	40	-2.0	-107.81	377.23	7.79	-100.02
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1C#N	REAL300000401166	0	38	-2.0	-113.90	353.46	6.44	-107.46
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000401167	0	37	-2.0	-124.23	357.68	7.45	-116.78
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000401168	0	35	-2.0	-121.00	337.61	5.62	-115.38
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C=C1C(=O)[O-]	REAL300000401169	0	38	-2.0	-108.00	355.11	6.16	-101.84
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000401170	0	41	-2.0	-124.60	374.99	7.71	-116.89
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000401171	0	34	-2.0	-112.30	330.94	3.65	-108.65
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1C#N	REAL300000401172	0	39	-2.0	-107.94	362.12	5.40	-102.54
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000401173	0	32	-2.0	-103.91	334.06	4.56	-99.35
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000401174	0	42	-2.0	-109.92	380.06	7.46	-102.46
CC(C)N1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000401175	0	42	-2.0	-115.09	379.39	7.47	-107.62
CCC1=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000401176	0	38	-2.0	-109.41	356.06	5.59	-103.82
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)=NN1	REAL300000401179	1	39	-2.0	-113.21	352.77	4.13	-109.08
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)=NN1	REAL300000401182	0	39	-2.0	-110.38	358.25	4.19	-106.19
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)=NN1	REAL300000401183	0	36	-2.0	-107.32	345.96	3.15	-104.17
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=NN1	REAL300000401185	1	40	-2.0	-111.52	359.43	3.49	-108.03
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2)=NN1	REAL300000401186	0	39	-2.0	-103.47	361.91	3.82	-99.65
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)=NN1	REAL300000401187	1	36	-2.0	-108.83	344.42	3.16	-105.67
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)=NN1	REAL300000401188	0	39	-2.0	-106.86	355.78	3.27	-103.59
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2)=NN1	REAL300000401189	1	39	-2.0	-110.46	361.37	4.02	-106.44
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)=NN1	REAL300000401190	1	39	-2.0	-100.03	357.32	4.18	-95.85
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)=NN1	REAL300000401191	0	36	-2.0	-102.12	345.04	3.26	-98.86
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)=NN1	REAL300000401192	1	39	-2.0	-105.96	359.19	4.19	-101.77
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)=NN1	REAL300000401193	0	39	-2.0	-101.68	358.25	4.20	-97.48
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)=NN1	REAL300000401194	0	40	-2.0	-112.89	362.49	1.85	-111.04
CC1=CC(OC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)=NN1	REAL300000401194	1	40	-2.0	-111.73	361.51	2.65	-109.08
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)=NN1	REAL300000401195	1	42	-2.0	-104.00	374.94	4.92	-99.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=NNC(C)=C3)C=C2)C=C1C(=O)[O-]	REAL300000401198	1	43	-2.0	-112.81	380.80	4.36	-108.45
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)=NN1	REAL300000401200	0	39	-2.0	-117.46	356.45	4.16	-113.30
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=NN1	REAL300000401201	0	38	-2.0	-112.79	349.00	2.24	-110.55
CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)=NN1	REAL300000401202	0	36	-2.0	-100.78	352.92	3.11	-97.67
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=NNC(C)=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000401203	0	42	-2.0	-106.75	374.91	4.13	-102.62
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000401212	0	35	-2.0	-103.86	338.03	5.82	-98.04
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000401213	0	35	-2.0	-94.05	333.49	5.79	-88.26
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000401214	0	35	-2.0	-106.42	333.50	5.79	-100.63
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000401215	0	39	-2.0	-111.56	361.64	5.58	-105.98
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000401216	0	39	-2.0	-93.38	364.96	7.08	-86.30
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000401217	0	38	-2.0	-107.66	349.52	6.31	-101.35
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000401218	0	35	-2.0	-101.77	346.58	6.36	-95.41
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000401219	0	35	-2.0	-102.27	346.00	6.18	-96.09
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000401220	0	41	-2.0	-108.80	366.61	7.13	-101.67
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000401221	0	35	-2.0	-103.55	338.97	5.84	-97.71
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000401222	0	41	-2.0	-92.54	377.08	7.37	-85.17
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000401223	0	32	-2.0	-100.81	326.69	4.81	-96.00
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000401224	0	38	-2.0	-106.86	348.94	6.56	-100.30
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000401225	0	39	-2.0	-92.09	364.58	6.07	-86.02
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000401226	0	36	-2.0	-104.84	340.15	5.14	-99.70
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000401227	0	39	-2.0	-107.52	357.28	4.63	-102.89
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000401228	0	35	-2.0	-96.95	342.61	5.47	-91.48
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000401229	0	41	-2.0	-109.45	368.95	7.20	-102.25
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000401230	0	32	-2.0	-102.19	325.15	4.82	-97.37
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000401231	0	39	-2.0	-112.26	360.79	5.86	-106.40
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000401232	0	44	-2.0	-109.07	387.40	7.79	-101.28
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000401233	0	41	-2.0	-104.86	363.62	7.51	-97.35
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000401234	0	42	-2.0	-111.22	383.93	6.35	-104.87
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000401235	0	37	-3.0	-182.09	361.90	6.36	-175.73
CCOC1=CC(Cl)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000401235	1	38	-2.0	-107.31	361.94	6.31	-101.00
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000401236	0	42	-2.0	-111.31	377.74	7.69	-103.62
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000401237	0	35	-2.0	-100.14	336.50	4.93	-95.21
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000401238	0	39	-2.0	-107.77	362.42	4.87	-102.90
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000401239	0	42	-2.0	-92.57	384.66	6.77	-85.80
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000401240	0	38	-2.0	-97.65	354.21	6.60	-91.05
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OCC)C=C1C(=O)[O-]	REAL300000401241	0	42	-2.0	-112.87	382.63	6.77	-106.10
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000401242	0	35	-2.0	-103.27	343.19	5.66	-97.61
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000401243	0	35	-2.0	-91.53	346.55	6.37	-85.16
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000401244	0	35	-2.0	-93.48	338.04	5.82	-87.66
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000401245	0	32	-2.0	-95.74	325.76	4.91	-90.83
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000401246	0	35	-2.0	-97.36	339.92	5.85	-91.51
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000401247	0	38	-2.0	-105.00	359.25	6.50	-98.50
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000401248	0	35	-2.0	-93.52	338.96	5.87	-87.65
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000401249	0	35	-2.0	-91.60	346.01	6.19	-85.41
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000401250	0	35	-2.0	-95.50	344.32	5.88	-89.62
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000401251	0	36	-2.0	-105.56	343.22	3.49	-102.07
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000401252	0	38	-2.0	-97.33	355.68	6.57	-90.76
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000401253	0	38	-2.0	-102.74	343.54	6.43	-96.31
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000401254	0	38	-2.0	-105.28	358.33	6.44	-98.84
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000401255	0	38	-2.0	-94.08	348.91	6.56	-87.52
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000401256	0	41	-2.0	-109.59	366.38	6.85	-102.74
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000401257	0	35	-2.0	-95.30	345.23	5.93	-89.37
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000401258	0	41	-2.0	-107.28	367.03	7.20	-100.08
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000401259	0	38	-2.0	-105.80	358.81	6.48	-99.32
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000401260	0	38	-2.0	-111.52	358.55	6.47	-105.05
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000401261	0	41	-2.0	-108.35	367.47	6.97	-101.38
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000401262	0	42	-2.0	-109.04	383.96	5.92	-103.12
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000401263	0	39	-2.0	-106.08	361.53	6.01	-100.07
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000401264	0	38	-2.0	-95.72	353.57	6.43	-89.29
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000401265	0	38	-2.0	-104.24	353.45	6.61	-97.63
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000401266	0	35	-2.0	-110.76	337.16	5.82	-104.94
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000401267	0	38	-2.0	-98.19	354.66	6.36	-91.83
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000401268	0	34	-2.0	-104.19	329.71	3.91	-100.28
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000401269	0	39	-2.0	-98.17	361.70	5.60	-92.57
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000401270	0	32	-2.0	-94.28	333.61	4.76	-89.52
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000401271	0	42	-2.0	-100.39	379.63	7.67	-92.72
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000401272	0	42	-2.0	-103.46	377.59	7.65	-95.81
CCOC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000401273	0	38	-2.0	-99.89	355.61	5.78	-94.11
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CN(C)C1=O	REAL300000401299	0	37	-2.0	-110.55	335.08	4.61	-105.94
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CN(C)C1=O	REAL300000401326	0	35	-2.0	-102.89	314.67	2.66	-100.23
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CN(C)C1=O	REAL300000401334	1	34	-2.0	-91.55	323.17	4.56	-86.99
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CN(C)C1=O	REAL300000401346	0	34	-2.0	-90.68	337.02	4.99	-85.69
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CN(C)C1=O	REAL300000401358	1	31	-2.0	-91.10	311.56	3.41	-87.69
CC(C)CN(C1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000401390	0	41	-2.0	-103.99	362.93	8.05	-95.94
CC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000401421	1	31	-2.0	-104.11	308.53	6.30	-97.81
CC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000401423	1	28	-2.0	-101.61	296.24	5.26	-96.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=CC=C2Cl)=C1	REAL300000401428	1	31	-2.0	-97.68	312.19	5.92	-91.76
CC1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000401437	0	34	-2.0	-106.43	330.85	6.73	-99.70
CC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000401455	1	28	-2.0	-96.58	295.31	5.36	-91.22
CC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000401457	1	34	-2.0	-105.60	328.80	6.94	-98.66
CC1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000401465	0	32	-2.0	-104.92	310.30	4.79	-100.13
CC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000401473	1	31	-2.0	-95.91	314.79	6.37	-89.54
CC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000401477	1	34	-2.0	-112.20	328.08	6.93	-105.27
CC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000401485	1	31	-2.0	-94.67	328.66	6.80	-87.87
CC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000401490	1	36	-2.0	-98.77	346.30	8.43	-90.34
CC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000401492	1	33	-2.0	-114.43	326.80	8.10	-106.33
CC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000401493	1	31	-2.0	-111.41	306.69	6.27	-105.14
CC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000401496	0	30	-2.0	-103.88	300.02	4.29	-99.59
CC1=CC=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000401498	1	28	-2.0	-95.11	303.16	5.20	-89.91
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000401502	0	38	-2.0	-103.19	349.22	6.17	-97.02
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000401503	0	38	-2.0	-93.27	344.68	6.16	-87.11
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000401504	0	38	-2.0	-105.65	344.69	6.14	-99.51
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000401505	0	42	-2.0	-110.68	372.83	5.94	-104.74
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000401506	0	42	-2.0	-92.75	376.14	7.43	-85.32
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000401507	0	41	-2.0	-106.88	360.71	6.67	-100.21
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000401508	0	38	-2.0	-100.94	357.76	6.72	-94.22
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000401509	0	38	-2.0	-101.52	357.19	6.53	-94.99
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000401510	0	44	-2.0	-107.99	377.79	7.47	-100.52
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000401511	0	38	-2.0	-102.68	350.17	6.20	-96.48
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000401512	0	44	-2.0	-91.89	388.26	7.73	-84.16
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000401513	0	35	-2.0	-100.02	337.87	5.15	-94.87
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000401514	0	41	-2.0	-106.09	360.13	6.92	-99.17
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000401515	0	42	-2.0	-91.40	375.76	6.42	-84.98
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000401516	0	39	-2.0	-104.11	351.34	5.48	-98.63
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000401517	1	42	-2.0	-106.36	368.89	4.95	-101.41
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000401518	0	38	-2.0	-96.20	353.82	5.82	-90.38
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000401519	0	44	-2.0	-107.34	376.14	7.47	-99.87
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000401520	0	35	-2.0	-101.39	336.34	5.17	-96.22
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000401521	0	42	-2.0	-111.53	371.97	6.21	-105.32
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000401522	0	47	-2.0	-108.25	398.59	8.15	-100.10
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000401523	0	44	-2.0	-104.21	374.81	7.87	-96.34
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000401524	0	45	-2.0	-111.48	395.12	6.71	-104.77
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000401525	0	40	-3.0	-181.15	373.09	6.70	-174.45
CCCOC1=CC(F)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000401525	1	41	-2.0	-107.29	373.11	6.65	-100.64
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000401526	0	45	-2.0	-110.39	388.93	8.03	-102.36
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000401527	0	38	-2.0	-99.35	347.69	5.27	-94.08
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000401528	0	42	-2.0	-107.15	373.61	5.23	-101.92
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000401529	0	45	-2.0	-91.90	395.83	7.13	-84.77
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000401530	0	41	-2.0	-96.87	365.40	6.95	-89.92
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000401531	0	45	-2.0	-112.13	393.82	7.11	-105.02
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000401532	0	38	-2.0	-102.62	353.31	6.03	-96.59
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000401533	0	38	-2.0	-90.82	357.74	6.71	-84.11
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000401534	0	38	-2.0	-92.83	349.20	6.18	-86.65
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000401535	0	35	-2.0	-94.96	336.94	5.26	-89.70
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000401536	0	38	-2.0	-96.62	351.10	6.20	-90.42
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000401537	0	41	-2.0	-104.13	370.44	6.83	-97.30
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000401538	0	38	-2.0	-92.73	350.15	6.21	-86.52
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000401539	0	38	-2.0	-90.88	357.18	6.54	-84.34
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000401540	0	38	-2.0	-94.79	355.51	6.23	-88.56
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000401541	0	40	-2.0	-90.80	372.88	6.81	-83.99
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000401542	0	39	-2.0	-104.79	354.40	3.83	-100.96
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000401543	0	41	-2.0	-96.52	366.87	6.92	-89.60
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000401544	0	41	-2.0	-102.08	354.73	6.77	-95.31
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000401545	0	41	-2.0	-104.55	369.52	6.79	-97.76
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000401546	0	41	-2.0	-93.37	360.10	6.91	-86.46
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000401547	0	44	-2.0	-108.78	377.56	7.21	-101.57
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000401548	0	40	-2.0	-104.06	371.25	7.23	-96.83
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000401549	0	38	-2.0	-94.47	356.42	6.27	-88.20
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000401550	0	44	-2.0	-106.27	379.17	7.54	-98.73
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000401551	0	41	-2.0	-103.78	366.17	6.74	-97.04
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000401552	0	41	-2.0	-110.90	369.74	6.82	-104.08
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000401553	0	44	-2.0	-107.57	378.66	7.32	-100.25
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000401554	0	45	-2.0	-108.34	395.15	6.27	-102.07
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000401555	0	42	-2.0	-105.32	372.71	6.35	-98.97
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000401556	0	41	-2.0	-95.00	364.74	6.79	-88.21
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000401557	0	41	-2.0	-103.46	364.64	6.95	-96.51
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000401558	0	40	-2.0	-113.08	368.41	7.99	-105.09
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000401559	0	38	-2.0	-110.01	348.35	6.17	-103.84
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000401560	0	41	-2.0	-97.40	365.85	6.71	-90.69
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000401561	0	37	-2.0	-103.40	340.90	4.25	-99.15
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000401562	0	42	-2.0	-97.39	372.89	5.94	-91.45
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000401563	0	35	-2.0	-93.52	344.79	5.10	-88.42
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000401564	0	45	-2.0	-99.60	390.81	8.02	-91.58
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000401565	0	45	-2.0	-102.73	388.77	8.01	-94.72
CCCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000401566	0	41	-2.0	-99.10	366.82	6.12	-92.98
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CN1	REAL300000401567	0	39	-2.0	-87.98	366.50	1.92	-86.06
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CN1	REAL300000401568	1	32	-2.0	-104.01	314.57	3.36	-100.65
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=CN1	REAL300000401569	0	40	-2.0	-104.31	369.64	4.42	-99.89
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CN1	REAL300000401570	1	32	-2.0	-94.48	310.02	3.34	-91.14
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CN1	REAL300000401571	0	32	-2.0	-106.24	310.03	3.33	-102.91
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CN1	REAL300000401572	0	36	-2.0	-110.84	338.17	3.13	-107.71
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CN1	REAL300000401573	0	36	-2.0	-93.87	341.49	4.63	-89.24
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CN1	REAL300000401574	1	35	-2.0	-107.32	326.05	3.86	-103.46
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CN1	REAL300000401575	0	32	-2.0	-101.50	323.10	3.90	-97.60
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN1	REAL300000401576	0	32	-2.0	-102.27	322.54	3.72	-98.55
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=CN1	REAL300000401577	0	32	-2.0	-97.28	335.60	4.28	-93.00
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CN1	REAL300000401578	0	38	-2.0	-108.61	342.70	4.69	-103.92
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CN1	REAL300000401579	0	32	-2.0	-102.77	315.51	3.39	-99.38
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CN1	REAL300000401580	0	38	-2.0	-92.83	353.61	4.90	-87.93
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CN1	REAL300000401581	0	29	-2.0	-100.47	303.21	2.34	-98.13
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CN1	REAL300000401582	0	35	-2.0	-106.51	325.46	4.11	-102.40
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CN1	REAL300000401583	1	36	-2.0	-92.63	341.11	3.61	-89.02
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CN1	REAL300000401584	0	33	-2.0	-104.96	316.68	2.68	-102.28
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CN1	REAL300000401585	1	36	-2.0	-107.10	334.23	2.14	-104.96
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CN1	REAL300000401586	0	32	-2.0	-97.06	319.14	3.00	-94.06
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CN1	REAL300000401587	1	38	-2.0	-107.93	341.10	4.68	-103.25
COC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CN1	REAL300000401588	0	29	-2.0	-101.88	301.68	2.36	-99.52
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=CN1	REAL300000401589	0	40	-2.0	-106.96	368.35	3.14	-103.82
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=CN1	REAL300000401590	1	36	-2.0	-112.14	337.32	3.40	-108.74
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CN1	REAL300000401591	0	42	-2.0	-110.15	365.26	5.97	-104.18
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CN1	REAL300000401592	0	41	-2.0	-108.44	363.93	5.33	-103.11
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNC(C(=O)OC)=C1	REAL300000401593	0	38	-2.0	-104.70	340.15	5.06	-99.64
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=CN1	REAL300000401594	0	39	-2.0	-110.08	360.46	3.89	-106.19
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CN1	REAL300000401595	0	34	-3.0	-181.08	338.43	3.89	-177.19
COC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CN1	REAL300000401595	1	35	-2.0	-110.98	339.44	3.89	-107.09
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CN1	REAL300000401596	0	39	-2.0	-110.49	354.27	5.23	-105.26
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CN1	REAL300000401597	0	32	-2.0	-100.18	313.04	2.47	-97.71
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CN1	REAL300000401598	0	38	-2.0	-111.16	352.19	3.10	-108.06
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CN1	REAL300000401599	0	36	-2.0	-107.61	339.02	2.43	-105.18
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=CN1	REAL300000401600	1	40	-2.0	-92.94	362.96	3.91	-89.03
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=CN1	REAL300000401601	0	32	-2.0	-96.20	337.71	4.18	-92.02
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CN1	REAL300000401602	0	32	-2.0	-98.44	327.62	3.92	-94.52
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CN1	REAL300000401603	0	36	-2.0	-91.22	357.13	4.15	-87.07
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CN1	REAL300000401604	1	39	-2.0	-93.04	361.18	4.31	-88.73
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CN1	REAL300000401605	0	35	-2.0	-97.46	330.75	4.13	-93.33
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=CN1	REAL300000401606	1	45	-2.0	-93.03	403.62	5.25	-87.78
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CN1	REAL300000401607	0	36	-2.0	-92.25	347.32	3.68	-88.57
CCOC1=CC=C(S(=O)(=O)[N-]C2=CNC(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000401608	1	39	-2.0	-112.86	359.16	4.31	-108.55
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CN1	REAL300000401609	0	32	-2.0	-103.08	319.72	3.21	-99.87
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=CN1	REAL300000401610	0	32	-2.0	-95.53	338.25	4.35	-91.18
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CN1	REAL300000401611	0	32	-2.0	-92.20	323.08	3.89	-88.31
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CN1	REAL300000401612	0	32	-2.0	-94.09	314.55	3.37	-90.72
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CN1	REAL300000401613	0	29	-2.0	-95.70	302.30	2.45	-93.25
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CN1	REAL300000401614	0	32	-2.0	-97.35	316.43	3.40	-93.95
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CN1	REAL300000401615	0	35	-2.0	-104.14	335.77	4.02	-100.12
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=CN1	REAL300000401616	0	36	-2.0	-96.93	350.33	3.96	-92.97
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CN1	REAL300000401617	0	32	-2.0	-93.75	315.49	3.40	-90.35
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN1	REAL300000401618	0	32	-2.0	-92.07	322.53	3.73	-88.34
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CN1	REAL300000401619	0	35	-2.0	-99.12	339.48	4.52	-94.60
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CN1	REAL300000401620	0	40	-2.0	-90.67	373.77	4.74	-85.93
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CN1	REAL300000401621	0	32	-2.0	-95.86	320.85	3.42	-92.44
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CN1	REAL300000401622	0	34	-2.0	-91.65	338.22	4.00	-87.65
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CN1	REAL300000401623	0	33	-2.0	-105.09	319.74	1.05	-104.04
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CN1	REAL300000401624	0	35	-2.0	-97.11	332.22	4.10	-93.01
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CN1	REAL300000401625	0	32	-2.0	-97.17	330.73	3.86	-93.31
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CN1	REAL300000401626	0	35	-2.0	-103.08	319.57	3.99	-99.09
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CN1	REAL300000401627	1	35	-2.0	-105.37	334.86	3.98	-101.39
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CN1	REAL300000401628	1	35	-2.0	-94.59	325.44	4.10	-90.49
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CN1	REAL300000401629	1	38	-2.0	-110.65	346.83	4.50	-106.15
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CN1	REAL300000401630	0	34	-2.0	-105.17	336.58	4.43	-100.74
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CN1	REAL300000401631	0	32	-2.0	-94.85	321.79	3.46	-91.39
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CN1	REAL300000401632	1	38	-2.0	-107.53	343.42	4.75	-102.78
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CN1	REAL300000401633	0	35	-2.0	-105.06	335.35	4.03	-101.03
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CN1	REAL300000401634	0	35	-2.0	-103.22	341.81	4.47	-98.75
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CN1	REAL300000401635	0	35	-2.0	-111.59	335.04	4.02	-107.57
CCC1=CC=C(S(=O)(=O)[N-]C2=CNC(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000401636	1	38	-2.0	-107.95	343.96	4.52	-103.43
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=CN1	REAL300000401637	1	39	-2.0	-107.32	360.50	3.45	-103.87
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CN1	REAL300000401638	0	35	-2.0	-96.40	336.81	4.47	-91.93
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CN1	REAL300000401639	0	35	-2.0	-91.22	340.14	4.14	-87.08
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CN1	REAL300000401640	0	35	-2.0	-104.00	341.25	4.29	-99.71
CCN1C=C(S(=O)(=O)[N-]C2=CNC(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000401641	0	36	-2.0	-106.17	338.05	3.54	-102.63
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=CN1	REAL300000401642	1	44	-2.0	-105.44	375.03	6.19	-99.25
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CN1	REAL300000401643	0	32	-2.0	-93.85	335.61	3.89	-89.96
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CN1	REAL300000401644	0	35	-2.0	-100.91	343.77	4.40	-96.51
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CN1	REAL300000401645	0	41	-2.0	-103.19	359.48	5.46	-97.73
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=CN1	REAL300000401646	0	36	-2.0	-107.09	350.36	3.96	-103.13
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CN1	REAL300000401647	1	35	-2.0	-94.58	326.03	3.87	-90.71
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CN1	REAL300000401648	0	37	-2.0	-99.60	353.29	5.52	-94.08
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CN1	REAL300000401649	1	35	-2.0	-104.40	329.57	4.17	-100.23
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CN1	REAL300000401650	0	34	-2.0	-113.80	333.76	5.20	-108.60
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CN1	REAL300000401651	0	32	-2.0	-110.79	313.69	3.37	-107.42
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CN1	REAL300000401652	0	35	-2.0	-99.14	334.97	4.01	-95.13
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CN1	REAL300000401653	0	38	-2.0	-114.32	351.06	5.45	-108.87
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CN1	REAL300000401654	0	31	-2.0	-103.78	306.25	1.45	-102.33
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CN1	REAL300000401655	0	36	-2.0	-98.50	338.23	3.13	-95.37
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CN1	REAL300000401656	0	29	-2.0	-94.19	310.18	2.31	-91.88
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CN1	REAL300000401657	0	39	-2.0	-100.37	356.15	5.21	-95.16
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CN1	REAL300000401658	0	39	-2.0	-104.69	355.49	5.20	-99.49
CCC1=C(S(=O)(=O)[N-]C2=CNC(C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000401659	0	35	-2.0	-100.03	332.16	3.31	-96.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)=CC=C1F	REAL300000401660	1	37	-2.0	-104.15	352.74	7.64	-96.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)=C1	REAL300000401662	1	37	-2.0	-107.03	348.20	7.61	-99.42
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)C=C1	REAL300000401663	1	41	-2.0	-93.91	379.67	8.91	-85.00
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)=C1	REAL300000401665	0	37	-2.0	-104.26	353.67	7.67	-96.59
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)=C1	REAL300000401666	0	34	-2.0	-101.30	341.38	6.62	-94.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(F)(F)F)=C1	REAL300000401667	1	40	-2.0	-107.99	363.63	8.39	-99.60
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000401668	1	38	-2.0	-105.38	354.85	6.96	-98.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)=C1	REAL300000401669	0	37	-2.0	-97.36	357.31	7.29	-90.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)=CS1	REAL300000401670	0	34	-2.0	-102.70	339.85	6.64	-96.06
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000401671	0	37	-2.0	-101.02	351.20	6.75	-94.27
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000401672	1	37	-2.0	-104.35	356.80	7.50	-96.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)C=C1F	REAL300000401673	1	37	-2.0	-93.93	352.72	7.65	-86.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)S1	REAL300000401674	0	34	-2.0	-96.06	340.47	6.73	-89.33
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)=C1	REAL300000401675	1	37	-2.0	-97.80	354.61	7.68	-90.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)C(F)=C1	REAL300000401676	0	37	-2.0	-93.82	353.66	7.68	-86.14
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)=C1	REAL300000401677	0	38	-2.0	-106.82	357.91	5.32	-101.50
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(CCC(F)(F)F)=C2)=C1	REAL300000401677	1	38	-2.0	-105.31	357.00	6.19	-99.12
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)C=C1	REAL300000401678	1	40	-2.0	-98.00	370.39	8.39	-89.61
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(F)(F)F)=C1	REAL300000401679	1	40	-2.0	-102.92	358.26	8.25	-94.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000401681	1	41	-2.0	-106.50	376.21	7.82	-98.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)=C1F	REAL300000401683	0	37	-2.0	-110.82	351.86	7.65	-103.17
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)=C1	REAL300000401684	0	36	-2.0	-104.72	344.42	5.73	-98.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)=C(Cl)O1	REAL300000401685	0	34	-2.0	-94.73	348.34	6.60	-88.13
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000401686	0	40	-2.0	-100.87	370.33	7.60	-93.27
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1NC(N)=O	REAL300000401687	1	38	-2.0	-111.93	347.26	0.54	-111.39
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1NC(N)=O	REAL300000401688	1	38	-2.0	-102.33	342.71	0.51	-101.82
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1NC(N)=O	REAL300000401689	1	38	-2.0	-115.66	342.73	0.51	-115.15
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(N)=O)C(OC)=C1	REAL300000401690	0	42	-2.0	-121.89	370.87	0.30	-121.59
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1NC(N)=O	REAL300000401691	1	42	-2.0	-102.25	374.19	1.80	-100.45
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1NC(N)=O	REAL300000401692	1	41	-2.0	-118.07	362.14	1.16	-116.91
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1NC(N)=O	REAL300000401693	0	38	-2.0	-111.76	355.79	1.09	-110.67
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1NC(N)=O	REAL300000401694	1	38	-2.0	-110.39	355.23	0.90	-109.49
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1NC(N)=O	REAL300000401695	1	44	-2.0	-119.55	375.41	1.85	-117.70
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1NC(N)=O	REAL300000401696	0	38	-2.0	-113.15	348.19	0.58	-112.57
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1NC(N)=O	REAL300000401697	1	44	-2.0	-101.60	386.29	2.10	-99.50
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1NC(N)=O	REAL300000401698	0	35	-2.0	-109.60	335.91	-0.48	-110.08
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1NC(N)=O	REAL300000401699	1	41	-2.0	-117.40	358.16	1.29	-116.11
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC=C1NC(N)=O	REAL300000401700	1	42	-2.0	-100.77	373.81	0.79	-99.98
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1NC(N)=O	REAL300000401701	0	39	-2.0	-113.79	349.37	-0.15	-113.94
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1NC(N)=O	REAL300000401703	0	38	-2.0	-105.03	351.85	0.18	-104.85
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC=C1NC(N)=O	REAL300000401704	1	44	-2.0	-119.14	373.28	1.88	-117.26
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1NC(N)=O	REAL300000401705	0	35	-2.0	-110.32	334.38	-0.46	-110.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(N)=O)C(OC)=C2)C=C1C(=O)[O-]	REAL300000401706	1	42	-2.0	-120.43	370.01	0.57	-119.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(N)=O)C(OC)=C1	REAL300000401707	1	44	-2.0	-116.05	372.87	2.23	-113.82
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1NC(N)=O	REAL300000401708	0	38	-2.0	-109.59	345.74	-0.36	-109.95
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1NC(N)=O	REAL300000401709	0	42	-2.0	-115.61	371.71	-0.41	-116.02
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1NC(N)=O	REAL300000401710	1	41	-2.0	-107.54	363.43	1.33	-106.21
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1NC(N)=O	REAL300000401711	0	38	-2.0	-113.47	351.33	0.41	-113.06
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1NC(N)=O	REAL300000401712	0	38	-2.0	-99.98	355.77	1.08	-98.90
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1NC(N)=O	REAL300000401713	1	38	-2.0	-101.85	347.25	0.55	-101.30
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1NC(N)=O	REAL300000401714	0	35	-2.0	-103.87	334.99	-0.36	-104.23
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1NC(N)=O	REAL300000401715	1	38	-2.0	-106.20	349.13	0.57	-105.63
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1NC(N)=O	REAL300000401716	0	41	-2.0	-114.63	368.50	1.21	-113.42
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1NC(N)=O	REAL300000401717	0	38	-2.0	-101.58	348.18	0.59	-100.99
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1NC(N)=O	REAL300000401718	1	38	-2.0	-99.94	355.22	0.91	-99.03
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1NC(N)=O	REAL300000401719	0	39	-2.0	-116.42	352.43	-1.77	-118.19
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1NC(N)=O	REAL300000401719	1	39	-2.0	-110.31	341.47	-0.88	-111.19
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1NC(N)=O	REAL300000401720	1	41	-2.0	-106.53	364.89	1.29	-105.24
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1NC(N)=O	REAL300000401721	1	41	-2.0	-110.48	352.55	1.16	-109.32
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1NC(N)=O	REAL300000401722	1	41	-2.0	-114.36	367.57	1.16	-113.20
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1NC(N)=O	REAL300000401724	1	44	-2.0	-117.65	376.22	1.60	-116.05
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1NC(N)=O	REAL300000401726	0	41	-2.0	-115.50	368.73	1.20	-114.30
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1NC(N)=O	REAL300000401727	0	41	-2.0	-118.70	367.77	1.20	-117.50
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(N)=O)C(OC)=C2)C=C1C(=O)[O-]	REAL300000401728	1	44	-2.0	-116.61	376.57	1.71	-114.90
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(N)=O)C(OC)=C2)C=C1C(=O)[O-]	REAL300000401729	0	42	-2.0	-115.10	370.75	0.72	-114.38
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1NC(N)=O	REAL300000401730	1	41	-2.0	-102.38	358.45	1.05	-101.33
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC=C1NC(N)=O	REAL300000401731	1	41	-2.0	-114.90	362.27	1.35	-113.55
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1NC(N)=O	REAL300000401732	0	38	-2.0	-117.98	346.39	0.54	-117.44
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1NC(N)=O	REAL300000401733	1	41	-2.0	-107.04	367.14	1.17	-105.87
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1NC(N)=O	REAL300000401734	0	37	-2.0	-113.19	339.71	-1.44	-114.63
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1NC(N)=O	REAL300000401735	0	42	-2.0	-106.77	370.93	0.30	-106.47
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1NC(N)=O	REAL300000401736	0	35	-2.0	-103.03	342.88	-0.51	-103.54
CCC1=C(S(=O)(=O)[N-]C2=CC=C(NC(N)=O)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000401737	0	41	-2.0	-109.73	364.86	0.49	-109.24
COC1=CC(S(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000401738	0	37	-2.0	-98.82	349.04	-0.69	-99.51
COC1=CC(S(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000401739	0	37	-2.0	-111.85	349.07	-0.70	-112.55
COC1=CC(S(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000401740	0	34	-2.0	-106.35	342.30	-1.69	-108.04
COC1=CC(S(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000401741	0	38	-2.0	-110.41	355.76	-1.36	-111.77
COC1=CC(S(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000401742	0	34	-2.0	-107.67	340.77	-1.67	-109.34
COC1=CC(S(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000401743	0	37	-2.0	-105.77	352.13	-1.57	-107.34
COC1=CC(S(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000401744	0	34	-2.0	-100.64	341.38	-1.58	-102.22
COC1=CC(S(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000401745	0	36	-2.0	-108.75	345.33	-2.59	-111.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)=CC=C1F	REAL300000401746	0	35	-2.0	-120.97	345.29	7.89	-113.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)C=C1	REAL300000401747	0	35	-2.0	-110.44	340.74	7.87	-102.57
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)=C1	REAL300000401748	0	35	-2.0	-124.07	340.75	7.86	-116.21
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)C=C1C(=O)[O-]	REAL300000401749	0	38	-2.0	-125.37	356.77	8.39	-116.98
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)=C1	REAL300000401750	0	35	-2.0	-122.08	346.23	7.92	-114.16
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)=C1	REAL300000401751	0	32	-2.0	-117.92	333.94	6.89	-111.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2Cl)C=C1	REAL300000401752	0	38	-2.0	-125.54	356.18	8.64	-116.90
CN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)C=C1C(=O)[O-]	REAL300000401753	0	36	-2.0	-122.10	347.40	7.22	-114.88
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)=C1	REAL300000401754	0	35	-2.0	-113.77	349.86	7.55	-106.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)=CS1	REAL300000401755	0	32	-2.0	-119.32	332.41	6.88	-112.44
CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)C=C(C(=O)[O-])O1	REAL300000401756	0	35	-2.0	-117.66	343.76	7.01	-110.65
CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)C=C(C(=O)[O-])S1	REAL300000401757	0	35	-2.0	-121.29	350.44	7.74	-113.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)C=C1F	REAL300000401758	0	35	-2.0	-109.58	345.28	7.90	-101.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)S1	REAL300000401759	0	32	-2.0	-112.45	333.00	6.99	-105.46
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)=C1	REAL300000401760	0	35	-2.0	-114.40	347.15	7.93	-106.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)C(F)=C1	REAL300000401761	0	35	-2.0	-110.04	346.21	7.93	-102.11
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)=C1	REAL300000401762	0	36	-2.0	-124.64	350.46	5.59	-119.05
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)C=C1	REAL300000401763	0	38	-2.0	-114.84	362.94	8.65	-106.19
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2Cl)C=C1	REAL300000401764	0	38	-2.0	-119.47	350.82	8.49	-110.98
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2Cl)C=C1	REAL300000401765	0	38	-2.0	-110.67	356.16	8.63	-102.04
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)C=C1C(=O)[O-]	REAL300000401766	0	39	-2.0	-123.42	368.77	8.08	-115.34
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)=CC=C1C(=O)[O-]	REAL300000401767	0	38	-2.0	-110.72	356.75	8.41	-102.31
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)=C1F	REAL300000401768	0	35	-2.0	-127.54	344.39	7.89	-119.65
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)=C1	REAL300000401769	0	34	-2.0	-122.19	337.74	5.91	-116.28
CCC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3Cl)C=C2)C=C(C(=O)[O-])O1	REAL300000401770	0	38	-2.0	-117.56	362.87	7.86	-109.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=CC=C1F	REAL300000401771	1	34	-2.0	-110.30	322.56	4.94	-105.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1	REAL300000401772	1	34	-2.0	-100.63	318.07	4.91	-95.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401773	1	34	-2.0	-112.74	318.03	4.90	-107.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CN=N2)=C1	REAL300000401774	0	38	-2.0	-116.67	346.17	4.70	-111.97
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1	REAL300000401775	1	38	-2.0	-99.76	349.55	6.20	-93.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1C(=O)[O-]	REAL300000401776	1	37	-2.0	-113.83	334.05	5.44	-108.39
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401777	0	34	-2.0	-107.12	331.10	5.48	-101.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=CC=C1Cl	REAL300000401778	1	34	-2.0	-108.62	330.53	5.30	-103.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1C	REAL300000401779	1	40	-2.0	-113.88	350.47	6.22	-107.66
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401780	0	34	-2.0	-109.02	323.50	4.97	-104.05
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1	REAL300000401781	1	40	-2.0	-98.61	361.66	6.50	-92.11
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401782	0	31	-2.0	-107.20	311.26	3.92	-103.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CN=N2)=C1	REAL300000401783	1	37	-2.0	-112.06	333.51	5.69	-106.37
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1C(=O)[O-]	REAL300000401785	0	35	-2.0	-111.23	324.67	4.26	-106.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401787	0	34	-2.0	-103.50	327.19	4.59	-98.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=CS1	REAL300000401789	0	31	-2.0	-108.64	309.67	3.94	-104.70
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401791	1	44	-2.0	-115.76	373.33	7.52	-108.24
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CN=N2)=C1	REAL300000401792	1	43	-2.0	-113.87	371.98	6.92	-106.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CN=N2)=C1	REAL300000401793	1	40	-2.0	-110.09	348.17	6.62	-103.47
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CN=N2)=C1	REAL300000401794	0	41	-2.0	-118.47	368.46	5.47	-113.00
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401795	0	37	-2.0	-116.09	348.95	5.47	-110.62
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401795	1	36	-3.0	-189.64	346.43	5.47	-184.17
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401796	1	41	-2.0	-116.10	362.32	6.80	-109.30
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C(C(=O)[O-])O1	REAL300000401797	0	34	-2.0	-106.01	321.08	4.04	-101.97
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401798	0	38	-2.0	-114.30	347.06	3.99	-110.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C(Cl)C=C1F	REAL300000401799	0	34	-2.0	-104.04	335.62	5.50	-98.54
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CN=N2)=C1	REAL300000401801	1	37	-2.0	-103.15	338.79	5.72	-97.43
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1F	REAL300000401802	1	38	-2.0	-98.09	355.32	5.25	-92.84
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C(C(=O)[O-])S1	REAL300000401804	0	34	-2.0	-108.92	326.63	4.80	-104.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C(Cl)=C1	REAL300000401805	0	34	-2.0	-98.11	331.12	5.47	-92.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1F	REAL300000401806	1	34	-2.0	-100.29	322.55	4.95	-95.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)S1	REAL300000401807	0	31	-2.0	-102.29	310.30	4.04	-98.25
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401808	1	34	-2.0	-103.81	324.43	4.97	-98.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1F	REAL300000401809	0	37	-2.0	-110.31	343.83	5.61	-104.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C(F)=C1	REAL300000401810	0	34	-2.0	-100.22	323.54	4.98	-95.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1Cl	REAL300000401811	1	34	-2.0	-98.26	330.52	5.31	-92.95
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CN=N2)=C1	REAL300000401812	1	37	-2.0	-104.67	347.52	6.11	-98.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=CC(F)=C1F	REAL300000401813	1	34	-2.0	-102.15	328.89	5.00	-97.15
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401814	0	36	-2.0	-98.03	346.21	5.57	-92.46
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401815	0	35	-2.0	-110.55	327.74	2.62	-107.93
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401815	1	35	-2.0	-109.39	316.80	3.51	-105.88
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1	REAL300000401816	1	37	-2.0	-102.96	340.27	5.69	-97.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=CC(Cl)=C1F	REAL300000401817	1	34	-2.0	-103.47	338.78	5.44	-98.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CN=N2)=C1	REAL300000401818	1	37	-2.0	-110.16	328.09	5.54	-104.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=CC(C(=O)[O-])=C1F	REAL300000401819	1	37	-2.0	-111.71	342.86	5.56	-106.15
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=CC(C(=O)[O-])=C1C	REAL300000401821	1	40	-2.0	-117.28	354.83	6.07	-111.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300000401822	0	36	-2.0	-111.51	344.58	5.99	-105.52
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401823	0	34	-2.0	-101.05	329.83	5.03	-96.02
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1C(=O)[O-]	REAL300000401825	0	37	-2.0	-110.08	339.50	5.51	-104.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1Cl	REAL300000401826	0	37	-2.0	-108.80	349.84	6.04	-102.76
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401827	0	37	-2.0	-119.20	343.11	5.60	-113.60
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1C(=O)[O-]	REAL300000401828	1	40	-2.0	-114.54	352.27	6.09	-108.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1CC(=O)[O-]	REAL300000401829	1	41	-2.0	-113.11	368.49	5.03	-108.08
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CN=N2)=C1	REAL300000401830	1	37	-2.0	-104.24	348.62	6.17	-98.07
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000401831	1	37	-2.0	-110.39	349.25	5.86	-104.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1C(=O)[O-]	REAL300000401832	0	38	-2.0	-112.49	346.05	5.13	-107.36
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1C(=O)[O-]	REAL300000401833	1	37	-2.0	-107.49	351.81	5.98	-101.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=CC=C1C(=O)[O-]	REAL300000401834	1	37	-2.0	-100.77	334.03	5.45	-95.32
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CN=N2)=C1	REAL300000401835	1	37	-2.0	-109.89	337.62	5.74	-104.15
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1[N+](=O)[O-]	REAL300000401836	0	36	-2.0	-121.60	341.80	6.75	-114.85
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1F	REAL300000401837	0	34	-2.0	-118.32	321.74	4.94	-113.38
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C1C(=O)[O-]	REAL300000401838	1	37	-2.0	-105.71	343.02	5.58	-100.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=CC2=CC=CC=C21	REAL300000401839	1	40	-2.0	-121.11	359.11	7.03	-114.08
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C1	REAL300000401840	0	33	-2.0	-108.43	315.01	2.96	-105.47
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CN=N2)=C1	REAL300000401841	0	38	-2.0	-104.53	346.27	4.70	-99.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)=C(Cl)O1	REAL300000401842	0	31	-2.0	-100.37	318.17	3.89	-96.48
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4C=CN=N4)=C3)C=C2)CC1	REAL300000401843	1	41	-2.0	-106.21	364.20	6.79	-99.42
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4C=CN=N4)=C3)C=C2C1	REAL300000401844	1	41	-2.0	-111.98	363.51	6.80	-105.18
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CN=N3)=C2)C=C(C(=O)[O-])O1	REAL300000401845	0	37	-2.0	-105.54	340.16	4.89	-100.65
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401846	0	35	-2.0	-101.44	329.87	-0.21	-101.65
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C(N)=O	REAL300000401847	1	35	-2.0	-92.09	325.34	-0.23	-92.32
COC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401848	0	35	-2.0	-103.39	325.34	-0.24	-103.63
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(OC)C(C(N)=O)=C1	REAL300000401849	0	39	-2.0	-109.35	353.48	-0.44	-109.79
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000401850	0	39	-2.0	-92.40	356.79	1.06	-91.34
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401851	1	38	-2.0	-104.31	341.36	0.29	-104.02
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C(N)=O	REAL300000401852	0	35	-2.0	-100.19	338.41	0.34	-99.85
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401853	0	35	-2.0	-99.52	337.84	0.15	-99.37
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C(N)=O	REAL300000401854	0	41	-2.0	-107.57	358.01	1.11	-106.46
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(N)=O	REAL300000401855	0	35	-2.0	-101.10	330.81	-0.17	-101.27
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000401856	0	41	-2.0	-91.59	368.92	1.34	-90.25
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(N)=O	REAL300000401857	0	32	-2.0	-98.06	318.52	-1.22	-99.28
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C(N)=O	REAL300000401858	0	38	-2.0	-105.65	340.78	0.55	-105.10
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000401859	1	39	-2.0	-91.04	356.40	0.04	-91.00
COC1=NC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401860	0	36	-2.0	-101.98	331.99	-0.89	-102.87
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1C(N)=O	REAL300000401861	1	39	-2.0	-106.16	349.54	-1.42	-107.58
COC1=NC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C(N)=O	REAL300000401862	0	35	-2.0	-94.36	334.45	-0.57	-94.93
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1C(N)=O	REAL300000401863	1	41	-2.0	-106.97	356.41	1.09	-105.88
COC1=NC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401864	0	32	-2.0	-99.50	316.99	-1.20	-100.70
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000401865	1	39	-2.0	-109.23	352.63	-0.16	-109.39
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1C(N)=O	REAL300000401866	0	44	-2.0	-107.54	379.24	1.77	-105.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(OC)C(C(N)=O)=C1	REAL300000401867	0	41	-2.0	-104.63	355.46	1.50	-103.13
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(OC)C(C(N)=O)=C1	REAL300000401868	0	42	-2.0	-108.56	375.77	0.31	-108.25
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401869	0	37	-3.0	-175.21	353.74	0.33	-174.88
COC1=NC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401869	1	38	-2.0	-114.89	356.15	0.33	-114.56
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C(N)=O	REAL300000401870	0	42	-2.0	-109.19	369.58	1.66	-107.53
COC1=NC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401871	0	35	-2.0	-98.87	328.34	-1.10	-99.97
COC1=NC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C(N)=O	REAL300000401872	0	39	-2.0	-104.27	354.32	-1.14	-105.41
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1C(N)=O	REAL300000401873	1	42	-2.0	-91.32	376.49	0.74	-90.58
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C(N)=O	REAL300000401874	0	38	-2.0	-96.54	346.05	0.58	-95.96
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C(N)=O	REAL300000401875	0	39	-2.0	-90.79	362.64	0.10	-90.69
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000401876	1	42	-2.0	-109.80	374.49	0.74	-109.06
COC1=NC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401877	0	35	-2.0	-102.33	333.94	-0.34	-102.67
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C(N)=O	REAL300000401878	0	35	-2.0	-89.83	338.39	0.33	-89.50
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(N)=O	REAL300000401879	0	35	-2.0	-91.90	329.86	-0.19	-92.09
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(N)=O	REAL300000401880	0	32	-2.0	-93.37	317.61	-1.11	-94.48
COC1=NC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401881	0	35	-2.0	-94.73	331.74	-0.18	-94.91
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C(N)=O	REAL300000401882	0	38	-2.0	-102.25	351.08	0.46	-101.79
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(N)=O	REAL300000401883	0	35	-2.0	-90.95	330.80	-0.16	-91.11
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(N)=O	REAL300000401884	0	35	-2.0	-89.73	337.83	0.17	-89.56
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C(N)=O	REAL300000401885	0	38	-2.0	-98.13	354.78	0.96	-97.17
COC1=NC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401886	0	35	-2.0	-93.48	336.16	-0.14	-93.62
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C(N)=O	REAL300000401887	0	37	-2.0	-89.27	353.52	0.43	-88.84
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C(N)=O	REAL300000401888	0	36	-2.0	-104.98	335.04	-2.51	-107.49
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000401889	0	38	-2.0	-95.90	347.52	0.53	-95.37
COC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C(N)=O	REAL300000401890	0	38	-2.0	-99.01	335.40	0.41	-98.60
COC1=NC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401891	1	38	-2.0	-102.60	350.17	0.41	-102.19
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1C(N)=O	REAL300000401892	1	38	-2.0	-92.75	340.75	0.54	-92.21
COC1=NC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401893	1	41	-2.0	-106.01	358.22	0.83	-105.18
COC1=NC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401894	0	37	-2.0	-102.86	351.89	0.85	-102.01
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C(N)=O	REAL300000401895	0	35	-2.0	-92.91	337.09	-0.11	-93.02
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C(N)=O	REAL300000401896	1	41	-2.0	-103.37	358.73	1.17	-102.20
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C(N)=O	REAL300000401897	0	38	-2.0	-101.97	346.81	0.36	-101.61
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C(N)=O	REAL300000401898	0	38	-2.0	-101.64	357.12	0.89	-100.75
COC1=NC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C(N)=O	REAL300000401899	0	38	-2.0	-106.64	350.35	0.46	-106.18
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000401900	1	41	-2.0	-104.92	359.27	0.94	-103.98
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC)C(C(N)=O)=C2)C=C1CC(=O)[O-]	REAL300000401901	1	42	-2.0	-106.00	375.81	-0.12	-106.12
COC1=NC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C(N)=O	REAL300000401902	0	38	-2.0	-92.78	351.60	0.95	-91.83
COC1=NC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401903	0	38	-2.0	-101.13	356.56	0.72	-100.41
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(OC)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000401904	0	39	-2.0	-103.12	353.36	-0.02	-103.14
COC1=NC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401905	0	38	-2.0	-97.83	359.08	0.84	-96.99
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C(N)=O	REAL300000401906	1	38	-2.0	-91.98	341.34	0.30	-91.68
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1C(N)=O	REAL300000401907	1	38	-2.0	-103.60	345.29	0.58	-103.02
COC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C(N)=O	REAL300000401908	0	37	-2.0	-109.33	349.09	1.62	-107.71
COC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(N)=O	REAL300000401909	0	35	-2.0	-106.06	329.00	-0.21	-106.27
COC1=NC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401910	0	38	-2.0	-96.14	350.28	0.45	-95.69
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(N)=O	REAL300000401911	0	34	-2.0	-100.69	321.56	-2.12	-102.81
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(OC)C(C(N)=O)=C1	REAL300000401912	0	39	-2.0	-95.88	353.54	-0.44	-96.32
COC1=NC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000401913	0	32	-2.0	-92.48	325.48	-1.27	-93.75
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C(N)=O	REAL300000401914	0	42	-2.0	-98.84	371.46	1.64	-97.20
COC1=NC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C(N)=O	REAL300000401915	0	42	-2.0	-99.83	370.80	1.64	-98.19
CCC1=C(S(=O)(=O)[N-]C2=CN=C(OC)C(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000401916	0	38	-2.0	-98.95	347.47	-0.25	-99.20
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)CC2=C1	REAL300000401920	0	43	-2.0	-114.74	371.31	6.05	-108.69
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C2O1	REAL300000401923	0	39	-2.0	-104.80	356.24	6.82	-97.98
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2O1	REAL300000401926	0	39	-2.0	-106.30	348.64	6.31	-99.99
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2O1	REAL300000401928	0	36	-2.0	-103.10	336.35	5.26	-97.84
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CC3=C2)C=C1C(=O)[O-]	REAL300000401931	1	40	-2.0	-107.26	349.81	5.59	-101.67
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CC3=C2)=C1	REAL300000401933	0	39	-2.0	-99.11	352.28	5.93	-93.18
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2O1	REAL300000401935	1	36	-2.0	-104.62	334.82	5.28	-99.34
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)CC2=C1	REAL300000401939	0	46	-2.0	-115.09	393.60	6.80	-108.29
CC1(C)CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000401940	0	42	-2.0	-111.25	374.17	6.79	-104.46
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CC3=C2)C=C(C(=O)[O-])O1	REAL300000401942	0	39	-2.0	-102.88	346.18	5.38	-97.50
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CC3=C2)=C1	REAL300000401943	0	43	-2.0	-109.82	372.15	5.34	-104.48
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=CC=C2O1	REAL300000401944	1	39	-2.0	-101.41	360.76	6.84	-94.57
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)CC2=C1	REAL300000401946	1	42	-2.0	-100.58	363.88	7.06	-93.52
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CC3=C2)C=C(C(=O)[O-])S1	REAL300000401949	1	39	-2.0	-106.33	352.86	6.13	-100.20
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C2O1	REAL300000401950	1	39	-2.0	-93.85	356.22	6.81	-87.04
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2O1	REAL300000401952	0	36	-2.0	-97.86	335.44	5.37	-92.49
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000401953	1	39	-2.0	-99.67	349.56	6.30	-93.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CC3=C2)=C1F	REAL300000401954	0	42	-2.0	-107.74	368.92	6.94	-100.80
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2O1	REAL300000401955	0	39	-2.0	-95.65	348.63	6.32	-89.33
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000401958	1	39	-2.0	-97.63	353.99	6.33	-91.30
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC=C2O1	REAL300000401959	1	41	-2.0	-93.67	371.36	6.91	-86.76
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2O1	REAL300000401960	0	40	-2.0	-109.16	352.88	3.95	-105.21
CC1(C)CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2O1	REAL300000401960	1	40	-2.0	-105.69	341.88	4.84	-100.85
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=CC=C2O1	REAL300000401967	1	41	-2.0	-106.90	369.74	7.33	-99.57
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C2O1	REAL300000401968	0	39	-2.0	-97.76	354.92	6.37	-91.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CC3=C2)C=C1C(=O)[O-]	REAL300000401970	0	42	-2.0	-107.48	364.64	6.85	-100.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CC3=C2)=C1Cl	REAL300000401971	0	42	-2.0	-106.57	374.95	7.38	-99.19
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CC3=C2)=C1	REAL300000401972	0	42	-2.0	-113.44	368.18	6.94	-106.50
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)CC2=C1	REAL300000401975	1	42	-2.0	-98.11	369.43	7.42	-90.69
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CC3=C2)C=C1C(=O)[O-]	REAL300000401977	1	43	-2.0	-108.59	371.19	6.46	-102.13
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=CC=C2O1	REAL300000401981	0	41	-2.0	-115.73	366.92	8.11	-107.62
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2O1	REAL300000401982	0	39	-2.0	-112.64	346.83	6.27	-106.37
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CC3=C2)C=C1C(=O)[O-]	REAL300000401983	1	42	-2.0	-101.38	368.10	6.93	-94.45
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C2O1	REAL300000401984	1	45	-2.0	-117.12	384.20	8.36	-108.76
CC1(C)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2O1	REAL300000401985	0	38	-2.0	-106.57	339.39	4.35	-102.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)CC2=C1	REAL300000401986	0	43	-2.0	-100.66	371.37	6.04	-94.62
CC1(C)CC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2O1	REAL300000401987	0	36	-2.0	-96.56	343.31	5.20	-91.36
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CC3=C2)C=C(C(=O)[O-])O1	REAL300000401990	0	42	-2.0	-102.84	365.30	6.23	-96.61
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000401991	0	39	-2.0	-87.31	358.03	2.96	-84.35
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000401992	1	32	-2.0	-103.23	306.10	4.40	-98.83
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000401993	0	40	-2.0	-104.72	361.19	5.46	-99.26
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000401994	1	32	-2.0	-93.36	301.55	4.38	-88.98
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000401995	1	32	-2.0	-105.75	301.57	4.37	-101.38
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000401996	0	36	-2.0	-111.35	329.71	4.17	-107.18
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000401997	1	36	-2.0	-93.24	333.02	5.67	-87.57
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000401998	1	35	-2.0	-106.86	317.59	4.91	-101.95
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000401999	0	32	-2.0	-101.53	314.64	4.93	-96.60
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000402000	1	32	-2.0	-101.62	314.07	4.76	-96.86
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000402001	0	32	-2.0	-97.22	327.14	5.32	-91.90
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000402002	1	38	-2.0	-108.68	333.96	5.68	-103.00
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000402003	0	32	-2.0	-103.06	307.04	4.43	-98.63
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000402004	1	38	-2.0	-92.46	345.13	5.96	-86.50
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000402005	0	29	-2.0	-99.92	294.75	3.39	-96.53
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000402006	1	35	-2.0	-106.84	317.00	5.16	-101.68
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000402007	1	36	-2.0	-91.92	332.64	4.66	-87.26
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000402008	0	33	-2.0	-104.09	308.22	3.73	-100.36
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000402009	1	36	-2.0	-107.29	325.77	3.19	-104.10
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000402010	0	32	-2.0	-96.16	310.68	4.06	-92.10
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000402011	1	38	-2.0	-108.07	333.03	5.70	-102.37
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000402012	0	29	-2.0	-101.45	293.22	3.40	-98.05
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000402013	1	40	-2.0	-106.07	359.89	4.18	-101.89
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000402014	1	36	-2.0	-111.54	328.85	4.44	-107.10
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000402015	1	42	-2.0	-110.68	356.80	7.00	-103.68
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000402016	1	41	-2.0	-109.15	355.47	6.37	-102.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC)=C1	REAL300000402017	1	38	-2.0	-105.36	331.70	6.09	-99.27
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000402018	0	39	-2.0	-111.87	352.00	4.94	-106.93
COC1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000402019	0	35	-2.0	-109.09	336.50	4.81	-104.28
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000402019	1	34	-3.0	-180.13	329.97	4.93	-175.20
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000402020	1	39	-2.0	-110.96	345.81	6.27	-104.69
COC1=CC(F)=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000402021	0	32	-2.0	-99.76	304.58	3.51	-96.25
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000402022	1	38	-2.0	-110.44	343.73	4.14	-106.30
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000402023	0	36	-2.0	-106.87	330.55	3.47	-103.40
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000402024	1	40	-2.0	-93.21	355.20	4.99	-88.22
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000402025	1	32	-2.0	-95.32	329.24	5.22	-90.10
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000402026	0	32	-2.0	-98.31	319.17	4.95	-93.36
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000402027	1	36	-2.0	-90.39	348.67	5.20	-85.19
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000402028	1	39	-2.0	-92.37	352.72	5.36	-87.01
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000402029	0	35	-2.0	-97.37	322.28	5.19	-92.18
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1	REAL300000402030	1	45	-2.0	-92.51	395.16	6.29	-86.22
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000402031	1	36	-2.0	-91.41	338.86	4.72	-86.69
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC)=C2)C=C1C(=O)[O-]	REAL300000402032	1	39	-2.0	-112.18	350.70	5.35	-106.83
COC1=CC(F)=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000402033	0	32	-2.0	-103.26	310.17	4.26	-99.00
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000402034	0	32	-2.0	-95.22	329.79	5.39	-89.83
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000402035	0	32	-2.0	-91.04	314.62	4.93	-86.11
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000402036	1	32	-2.0	-92.93	306.09	4.41	-88.52
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000402037	0	29	-2.0	-94.88	293.84	3.50	-91.38
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000402038	0	32	-2.0	-96.52	307.97	4.44	-92.08
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000402039	0	35	-2.0	-104.40	327.31	5.07	-99.33
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000402040	0	36	-2.0	-95.70	341.88	4.99	-90.71
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000402041	0	32	-2.0	-92.71	307.03	4.44	-88.27
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000402042	1	32	-2.0	-90.97	314.06	4.77	-86.20
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000402043	1	35	-2.0	-99.07	331.01	5.57	-93.50
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000402044	0	40	-2.0	-90.09	365.31	5.78	-84.31
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000402045	1	32	-2.0	-94.80	312.39	4.47	-90.33
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000402046	0	34	-2.0	-90.79	329.76	5.04	-85.75
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000402047	0	33	-2.0	-105.73	311.29	2.07	-103.66
COC1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000402047	1	33	-2.0	-103.16	300.30	2.97	-100.19
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000402048	1	35	-2.0	-96.96	323.73	5.16	-91.80
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000402049	1	32	-2.0	-96.21	322.27	4.90	-91.31
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000402050	1	35	-2.0	-101.89	311.63	5.01	-96.88
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000402051	1	35	-2.0	-104.50	326.40	5.02	-99.48
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000402052	1	35	-2.0	-93.67	316.98	5.15	-88.52
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000402053	1	38	-2.0	-110.10	338.37	5.54	-104.56
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000402054	0	34	-2.0	-104.19	328.12	5.47	-98.72
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000402055	0	32	-2.0	-94.63	313.32	4.50	-90.13
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000402056	1	38	-2.0	-106.12	336.05	5.77	-100.35
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000402057	0	35	-2.0	-104.11	323.05	4.97	-99.14
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000402058	0	35	-2.0	-103.24	333.35	5.51	-97.73
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000402059	0	35	-2.0	-110.40	326.60	5.06	-105.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC)=C2)C=C1C(=O)[O-]	REAL300000402060	1	38	-2.0	-107.60	335.53	5.56	-102.04
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000402061	1	39	-2.0	-107.47	352.03	4.50	-102.97
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000402062	1	35	-2.0	-95.07	328.35	5.52	-89.55
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000402063	1	35	-2.0	-89.99	331.68	5.19	-84.80
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000402064	1	35	-2.0	-103.29	332.79	5.33	-97.96
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC)=C2)C=C1C(=O)[O-]	REAL300000402065	0	36	-2.0	-105.34	329.59	4.59	-100.75
COC1=CC(F)=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000402066	1	44	-2.0	-106.28	366.72	7.24	-99.04
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000402067	0	32	-2.0	-93.37	327.15	4.93	-88.44
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000402068	1	35	-2.0	-100.17	335.31	5.44	-94.73
COC1=CC(F)=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000402069	0	41	-2.0	-103.16	351.03	6.50	-96.66
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000402070	0	36	-2.0	-107.13	341.89	5.00	-102.13
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000402071	1	35	-2.0	-93.55	317.57	4.92	-88.63
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000402072	0	37	-2.0	-98.70	344.83	6.57	-92.13
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000402073	1	35	-2.0	-104.24	321.52	5.18	-99.06
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000402074	0	34	-2.0	-113.04	325.31	6.22	-106.82
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000402075	0	32	-2.0	-109.71	305.23	4.41	-105.30
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000402076	1	35	-2.0	-98.35	326.51	5.05	-93.30
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000402077	1	38	-2.0	-113.94	342.61	6.49	-107.45
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000402078	0	31	-2.0	-103.32	297.78	2.50	-100.82
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000402079	0	36	-2.0	-97.67	329.77	4.17	-93.50
COC1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000402080	0	29	-2.0	-93.47	301.71	3.35	-90.12
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000402081	1	39	-2.0	-100.08	347.69	6.26	-93.82
COC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000402082	1	39	-2.0	-103.43	347.02	6.25	-97.18
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC)=C2)C=C(C(=O)[O-])O1	REAL300000402083	0	35	-2.0	-99.69	323.70	4.36	-95.33
CN(C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)S(C)(=O)=O	REAL300000402084	1	39	-2.0	-113.27	364.10	3.36	-109.91
CN(C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)S(C)(=O)=O	REAL300000402085	1	39	-2.0	-124.56	364.13	3.35	-121.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N(C)S(C)(=O)=O)C=C1C(=O)[O-]	REAL300000402086	1	42	-2.0	-131.04	380.14	3.88	-127.16
CN(C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)S(C)(=O)=O	REAL300000402087	0	36	-2.0	-98.11	353.05	2.55	-95.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N(C)S(C)(=O)=O	REAL300000402088	1	42	-2.0	-122.52	379.56	4.12	-118.40
CN(C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)S(C)(=O)=O	REAL300000402089	0	40	-2.0	-123.22	370.78	2.70	-120.52
CN(C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)S(C)(=O)=O	REAL300000402090	0	36	-2.0	-120.22	355.77	2.38	-117.84
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N(C)S(C)(=O)=O)C=C(C(=O)[O-])O1	REAL300000402091	0	39	-2.0	-98.80	359.66	2.46	-96.34
CN(C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)S(C)(=O)=O	REAL300000402092	0	36	-2.0	-93.77	352.12	2.65	-91.12
CN(C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)S(C)(=O)=O	REAL300000402093	1	42	-2.0	-116.24	386.29	4.14	-112.10
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N(C)S(C)(=O)=O	REAL300000402094	1	42	-2.0	-99.92	366.99	3.93	-95.99
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N(C)S(C)(=O)=O	REAL300000402095	1	42	-2.0	-111.26	379.54	4.12	-107.14
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N(C)S(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300000402096	1	42	-2.0	-114.83	384.20	4.00	-110.83
CN(C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)S(C)(=O)=O	REAL300000402097	0	38	-2.0	-126.99	360.34	1.46	-125.53
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=NN1C	REAL300000402098	0	38	-2.0	-91.07	347.61	1.78	-89.29
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1C	REAL300000402099	0	31	-2.0	-107.06	296.56	3.25	-103.81
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C)N=C1	REAL300000402100	0	39	-2.0	-108.84	350.78	4.29	-104.55
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=NN1C	REAL300000402101	0	31	-2.0	-105.05	307.57	3.90	-101.15
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C)N=C1	REAL300000402102	0	35	-2.0	-115.66	319.30	3.00	-112.66
CC1=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=NN1C	REAL300000402103	0	31	-2.0	-105.11	308.27	3.70	-101.41
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=NN1C	REAL300000402104	0	35	-2.0	-97.09	322.60	4.49	-92.60
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C	REAL300000402105	0	34	-2.0	-110.73	307.17	3.72	-107.01
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=NN1C	REAL300000402106	0	31	-2.0	-105.73	304.23	3.77	-101.96
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=NN1C	REAL300000402107	0	31	-2.0	-105.49	304.53	3.61	-101.88
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=NN1C	REAL300000402108	0	31	-2.0	-101.39	316.72	4.15	-97.24
CC1=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)C=NN1C	REAL300000402109	0	37	-2.0	-113.33	323.82	4.54	-108.79
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=NN1C	REAL300000402110	0	31	-2.0	-107.25	296.63	3.25	-104.00
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=NN1C	REAL300000402111	0	37	-2.0	-96.44	334.73	4.78	-91.66
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C	REAL300000402112	0	28	-2.0	-104.05	285.21	2.25	-101.80
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NN1C	REAL300000402113	0	34	-2.0	-111.18	306.58	3.99	-107.19
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=NN1C	REAL300000402114	0	35	-2.0	-95.68	322.23	3.47	-92.21
CC1=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C=NN1C	REAL300000402115	0	42	-2.0	-92.40	367.99	4.25	-88.15
CC1=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=NN1C	REAL300000402116	0	28	-2.0	-101.32	302.21	3.00	-98.32
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=NN1C	REAL300000402117	0	35	-2.0	-111.62	315.36	2.02	-109.60
CC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)C=NN1C	REAL300000402118	0	31	-2.0	-104.74	316.08	3.83	-100.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)N(C)N=C2)=C1	REAL300000402119	0	31	-2.0	-100.01	300.26	2.87	-97.14
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)C=NN1C	REAL300000402120	0	37	-2.0	-112.39	323.47	4.55	-107.84
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C	REAL300000402121	0	28	-2.0	-105.44	282.80	2.23	-103.21
COC1=CC(S(=O)(=O)[N-]C2=C(C)N(C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000402122	0	39	-2.0	-109.99	349.48	3.02	-106.97
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C)N=C2)C=C1C(=O)[O-]	REAL300000402123	0	35	-2.0	-115.47	318.44	3.26	-112.21
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=NN1C	REAL300000402124	0	41	-2.0	-115.02	347.27	5.85	-109.17
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=NN1C	REAL300000402125	0	40	-2.0	-113.38	345.05	5.21	-108.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C)N=C1	REAL300000402126	0	37	-2.0	-109.59	321.29	4.91	-104.68
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C)N=C1	REAL300000402127	0	38	-2.0	-115.37	341.59	3.77	-111.60
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=NN1C	REAL300000402128	0	33	-3.0	-183.65	319.56	3.76	-179.89
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=NN1C	REAL300000402129	0	38	-2.0	-115.30	336.27	5.12	-110.18
CC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=NN1C	REAL300000402130	0	37	-2.0	-114.40	333.33	2.97	-111.43
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=NN1C	REAL300000402131	0	35	-2.0	-109.69	320.07	2.30	-107.39
CC1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=NN1C	REAL300000402132	0	39	-2.0	-96.31	344.06	3.80	-92.51
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=NN1C	REAL300000402133	0	31	-2.0	-99.27	318.83	4.05	-95.22
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=NN1C	REAL300000402134	0	31	-2.0	-102.51	308.75	3.78	-98.73
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=NN1C	REAL300000402135	0	35	-2.0	-94.21	339.13	4.04	-90.17
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=NN1C	REAL300000402136	0	38	-2.0	-96.21	342.31	4.18	-92.03
CC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=NN1C	REAL300000402137	0	41	-2.0	-95.07	371.77	4.47	-90.60
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=NN1C	REAL300000402138	0	34	-2.0	-101.66	311.86	4.02	-97.64
CC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)C=NN1C	REAL300000402139	0	44	-2.0	-96.40	384.77	5.11	-91.29
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=NN1C	REAL300000402140	0	35	-2.0	-95.13	329.32	3.56	-91.57
CC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)C=NN1C	REAL300000402141	0	41	-2.0	-94.77	381.57	4.95	-89.82
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C)N=C2)C=C1C(=O)[O-]	REAL300000402142	0	38	-2.0	-116.07	341.16	4.20	-111.87
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C)N=C2)C=C(C(=O)[O-])S1	REAL300000402143	0	31	-2.0	-107.59	299.78	3.09	-104.50
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=NN1C	REAL300000402144	0	31	-2.0	-99.40	319.38	4.21	-95.19
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=NN1C	REAL300000402145	0	31	-2.0	-94.69	304.21	3.76	-90.93
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=NN1C	REAL300000402146	0	31	-2.0	-94.22	307.56	3.89	-90.33
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=NN1C	REAL300000402147	0	31	-2.0	-96.72	295.69	3.24	-93.48
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C	REAL300000402148	0	28	-2.0	-98.98	283.41	2.32	-96.66
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=NN1C	REAL300000402149	0	31	-2.0	-100.52	297.57	3.25	-97.27
CC1=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C=NN1C	REAL300000402150	0	34	-2.0	-108.70	316.90	3.89	-104.81
COC1=CC(S(=O)(=O)[N-]C2=C(C)N(C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000402151	0	35	-2.0	-99.29	331.47	3.83	-95.46
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=NN1C	REAL300000402152	0	31	-2.0	-96.43	296.62	3.27	-93.16
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=NN1C	REAL300000402153	0	31	-2.0	-94.81	303.66	3.60	-91.21
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=NN1C	REAL300000402154	0	34	-2.0	-103.44	320.60	4.40	-99.04
CC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)C=NN1C	REAL300000402155	0	34	-2.0	-99.03	321.98	4.49	-94.54
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=NN1C	REAL300000402156	0	39	-2.0	-93.87	354.90	4.60	-89.27
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=NN1C	REAL300000402157	0	31	-2.0	-94.35	307.40	3.69	-90.66
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=NN1C	REAL300000402158	0	31	-2.0	-98.68	301.97	3.29	-95.39
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=NN1C	REAL300000402159	0	33	-2.0	-94.64	319.35	3.86	-90.78
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=NN1C	REAL300000402160	0	32	-2.0	-110.43	300.87	0.92	-109.51
CC1=C([N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)C=NN1C	REAL300000402161	0	34	-2.0	-103.50	325.04	4.25	-99.25
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1C	REAL300000402162	0	34	-2.0	-101.33	313.33	3.97	-97.36
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=NN1C	REAL300000402163	0	31	-2.0	-100.15	311.86	3.73	-96.42
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NN1C	REAL300000402164	0	34	-2.0	-105.07	301.19	3.83	-101.24
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)C=NN1C	REAL300000402165	0	34	-2.0	-103.94	324.63	4.49	-99.45
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)C=NN1C	REAL300000402166	0	34	-2.0	-108.42	315.99	3.85	-104.57
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NN1C	REAL300000402167	0	34	-2.0	-97.62	306.56	3.97	-93.65
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)C=NN1C	REAL300000402168	0	37	-2.0	-112.68	324.03	4.26	-108.42
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=NN1C	REAL300000402169	0	33	-2.0	-107.82	317.71	4.28	-103.54
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=NN1C	REAL300000402170	0	31	-2.0	-98.78	302.89	3.32	-95.46
CC1=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=NN1C	REAL300000402171	0	28	-2.0	-96.81	303.73	2.89	-93.92
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=NN1C	REAL300000402172	0	37	-2.0	-109.18	325.63	4.58	-104.60
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C=NN1C	REAL300000402173	0	34	-2.0	-108.41	312.63	3.80	-104.61
CC1=C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)C=NN1C	REAL300000402174	0	34	-2.0	-107.53	322.94	4.32	-103.21
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=NN1C	REAL300000402175	0	34	-2.0	-113.47	316.20	3.88	-109.59
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C)N=C2)C=C1C(=O)[O-]	REAL300000402176	0	37	-2.0	-111.41	325.48	4.38	-107.03
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)C=NN1C	REAL300000402177	0	31	-2.0	-102.02	312.10	3.92	-98.10
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C)N=C2)C=C1CC(=O)[O-]	REAL300000402178	0	38	-2.0	-111.09	342.49	3.35	-107.74
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=NN1C	REAL300000402179	0	34	-2.0	-98.66	317.41	4.38	-94.28
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=NN1C	REAL300000402180	0	34	-2.0	-93.76	321.28	4.00	-89.76
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)C=NN1C	REAL300000402181	0	34	-2.0	-107.21	322.38	4.16	-103.05
CC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=NN1C	REAL300000402182	0	31	-2.0	-102.39	312.46	3.80	-98.59
CC1=C([N-]S(=O)(=O)C2=C(Br)C(C)=CC(C(=O)[O-])=C2)C=NN1C	REAL300000402183	0	34	-2.0	-107.13	325.75	4.46	-102.67
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(C)N=C2)C=C1C(=O)[O-]	REAL300000402184	0	35	-2.0	-109.37	319.17	3.42	-105.95
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=NN1C	REAL300000402185	0	43	-2.0	-108.89	356.30	6.07	-102.82
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)C=NN1C	REAL300000402186	0	31	-2.0	-97.44	313.27	3.94	-93.50
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=NN1C	REAL300000402187	0	31	-2.0	-97.58	316.77	3.74	-93.84
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=NN1C	REAL300000402188	0	35	-2.0	-96.09	335.85	3.49	-92.60
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=NN1C	REAL300000402189	0	34	-2.0	-102.96	321.02	4.16	-98.80
CC1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=NN1C	REAL300000402190	0	40	-2.0	-107.04	340.59	5.32	-101.72
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)N(C)N=C2)C=C1C(=O)[O-]	REAL300000402191	0	35	-2.0	-111.34	331.48	3.84	-107.50
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C	REAL300000402192	0	34	-2.0	-97.35	307.16	3.74	-93.61
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=NN1C	REAL300000402193	0	36	-2.0	-101.71	335.28	5.42	-96.29
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=NN1C	REAL300000402194	0	34	-2.0	-108.62	311.11	4.01	-104.61
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=NN1C	REAL300000402195	0	33	-2.0	-115.59	314.90	5.06	-110.53
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=NN1C	REAL300000402196	0	31	-2.0	-112.76	294.79	3.21	-109.55
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=NN1C	REAL300000402197	0	34	-2.0	-101.28	312.32	3.76	-97.52
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=NN1C	REAL300000402198	0	37	-2.0	-117.65	332.19	5.33	-112.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)N(C)N=C1	REAL300000402199	0	35	-2.0	-101.51	319.35	3.00	-98.51
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=NN1C	REAL300000402200	0	28	-2.0	-97.75	292.13	2.20	-95.55
CC1=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=NN1C	REAL300000402201	0	35	-2.0	-104.89	334.94	3.75	-101.14
CC1=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=NN1C	REAL300000402202	0	34	-2.0	-100.48	334.50	0.23	-100.25
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=NN1C	REAL300000402203	0	38	-2.0	-104.18	337.28	5.08	-99.10
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=NN1C	REAL300000402204	0	38	-2.0	-107.00	336.60	5.08	-101.92
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(C)N=C2)C=C(C(=O)[O-])O1	REAL300000402205	0	34	-2.0	-104.00	314.16	3.22	-100.78
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC3=C(F)C=CC(F)=C32)=C1	REAL300000402227	0	38	-2.0	-113.26	337.95	8.03	-105.23
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=C(F)C=CC(F)=C32)=C1	REAL300000402243	0	36	-2.0	-111.29	315.10	5.74	-105.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)=CC=C1F	REAL300000402276	1	37	-2.0	-103.64	351.38	7.72	-95.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)=C1	REAL300000402278	1	37	-2.0	-106.13	346.85	7.68	-98.45
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)C=C1	REAL300000402279	1	41	-2.0	-92.85	378.31	8.98	-83.87
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)=C1	REAL300000402281	0	37	-2.0	-103.16	352.32	7.75	-95.41
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)=C1	REAL300000402282	0	34	-2.0	-100.55	340.03	6.70	-93.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CCC(F)(F)F	REAL300000402283	1	40	-2.0	-106.86	362.28	8.47	-98.39
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)C=C1C(=O)[O-]	REAL300000402284	1	38	-2.0	-104.61	353.50	7.03	-97.58
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)=C1	REAL300000402285	0	37	-2.0	-96.84	355.96	7.37	-89.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)=CS1	REAL300000402286	0	34	-2.0	-101.88	338.50	6.72	-95.16
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)C=C(C(=O)[O-])O1	REAL300000402287	0	37	-2.0	-100.40	349.86	6.82	-93.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)C=C(C(=O)[O-])S1	REAL300000402288	1	37	-2.0	-103.48	355.47	7.58	-95.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)C=C1F	REAL300000402289	1	37	-2.0	-93.32	351.36	7.72	-85.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)S1	REAL300000402290	0	34	-2.0	-95.64	339.10	6.81	-88.83
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)=C1	REAL300000402291	1	37	-2.0	-97.01	353.25	7.75	-89.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)C(F)=C1	REAL300000402292	0	37	-2.0	-93.07	352.31	7.76	-85.31
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)=C1	REAL300000402293	0	38	-2.0	-105.63	356.56	5.40	-100.23
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2CCC(F)(F)F)=C1	REAL300000402293	1	38	-2.0	-109.53	350.68	5.71	-103.82
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)C=C1	REAL300000402294	1	40	-2.0	-96.98	369.03	8.47	-88.51
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CCC(F)(F)F	REAL300000402295	1	40	-2.0	-102.09	356.89	8.32	-93.77
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)C=C1C(=O)[O-]	REAL300000402297	1	41	-2.0	-105.87	374.87	7.90	-97.97
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)=C1F	REAL300000402299	0	37	-2.0	-109.91	350.49	7.71	-102.20
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)=C1	REAL300000402300	0	36	-2.0	-103.92	343.06	5.80	-98.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)=C(Cl)O1	REAL300000402301	0	34	-2.0	-94.36	346.96	6.66	-87.70
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CCC(F)(F)F)C=C(C(=O)[O-])O1	REAL300000402302	0	40	-2.0	-99.97	364.29	7.53	-92.44
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000402303	0	33	-2.0	-105.91	327.08	5.15	-100.76
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000402304	0	33	-2.0	-96.63	322.54	5.13	-91.50
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000402305	0	33	-2.0	-108.13	322.55	5.12	-103.01
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC#N	REAL300000402306	0	37	-2.0	-112.57	350.71	4.93	-107.64
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000402307	0	37	-2.0	-95.64	354.01	6.41	-89.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C=C1C(=O)[O-]	REAL300000402308	0	36	-2.0	-109.24	338.61	5.65	-103.59
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000402309	0	33	-2.0	-103.25	335.62	5.68	-97.57
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000402310	0	33	-2.0	-104.15	335.05	5.51	-98.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)=C1C	REAL300000402311	0	39	-2.0	-110.22	355.68	6.46	-103.76
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000402312	0	33	-2.0	-104.85	328.01	5.17	-99.68
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000402313	0	39	-2.0	-94.55	366.12	6.70	-87.85
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000402314	0	30	-2.0	-102.92	315.74	4.14	-98.78
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC#N	REAL300000402315	0	36	-2.0	-108.37	338.00	5.90	-102.47
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000402316	0	37	-2.0	-94.32	353.63	5.40	-88.92
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C=C1C(=O)[O-]	REAL300000402317	0	34	-2.0	-106.82	329.20	4.47	-102.35
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC#N	REAL300000402318	1	37	-2.0	-109.03	346.35	3.97	-105.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)=C1	REAL300000402319	0	33	-2.0	-99.36	331.62	4.80	-94.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C=C1C(=O)[O-]	REAL300000402320	0	39	-2.0	-110.84	358.00	6.53	-104.31
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000402321	0	30	-2.0	-104.14	314.20	4.15	-99.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C=C1C(=O)[O-]	REAL300000402322	0	37	-2.0	-113.99	349.84	5.19	-108.80
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC#N	REAL300000402323	0	42	-2.0	-110.27	376.44	7.12	-103.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC#N	REAL300000402324	0	39	-2.0	-106.46	352.67	6.84	-99.62
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC#N	REAL300000402325	0	40	-2.0	-113.27	373.01	5.69	-107.58
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000402326	0	35	-3.0	-184.52	350.95	5.69	-178.83
N#CCOC1=CC(F)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000402326	1	36	-2.0	-111.84	351.00	5.63	-106.21
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000402327	0	40	-2.0	-112.40	366.79	7.02	-105.38
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C=C(C(=O)[O-])O1	REAL300000402328	0	33	-2.0	-102.55	325.54	4.26	-98.29
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)=C1	REAL300000402329	0	37	-2.0	-109.71	351.47	4.20	-105.51
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)=CC=C1OCC(=O)[O-]	REAL300000402330	0	40	-2.0	-94.80	373.71	6.10	-88.70
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC#N	REAL300000402331	0	36	-2.0	-99.61	343.26	5.93	-93.68
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000402332	0	37	-2.0	-94.05	359.84	5.47	-88.58
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C=C1C(=O)[O-]	REAL300000402333	0	40	-2.0	-114.62	371.65	6.10	-108.52
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C=C(C(=O)[O-])S1	REAL300000402334	0	33	-2.0	-105.17	332.22	5.00	-100.17
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000402335	0	33	-2.0	-94.01	335.60	5.69	-88.32
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000402336	0	33	-2.0	-96.25	327.08	5.15	-91.10
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000402337	0	30	-2.0	-98.29	314.81	4.24	-94.05
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000402338	0	33	-2.0	-99.38	328.97	5.18	-94.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)=C1F	REAL300000402339	0	36	-2.0	-106.24	348.28	5.82	-100.42
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000402340	0	33	-2.0	-95.96	328.01	5.19	-90.77
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000402341	0	33	-2.0	-94.21	335.05	5.52	-88.69
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC#N	REAL300000402342	0	36	-2.0	-101.13	351.99	6.31	-94.82
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000402343	0	33	-2.0	-97.90	333.37	5.21	-92.69
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000402344	0	35	-2.0	-93.73	350.74	5.79	-87.94
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000402345	0	34	-2.0	-107.13	332.26	2.81	-104.32
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000402346	0	36	-2.0	-99.12	344.72	5.90	-93.22
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC#N	REAL300000402347	0	36	-2.0	-105.01	332.59	5.76	-99.25
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)=CC(C(=O)[O-])=C1F	REAL300000402348	0	36	-2.0	-107.33	347.39	5.77	-101.56
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC#N	REAL300000402349	0	36	-2.0	-96.72	337.96	5.89	-90.83
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)=CC(C(=O)[O-])=C1C	REAL300000402350	0	39	-2.0	-111.11	355.41	6.18	-104.93
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000402351	0	35	-2.0	-107.24	349.12	6.21	-101.03
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000402352	0	33	-2.0	-97.00	334.28	5.25	-91.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C(C)=C1C(=O)[O-]	REAL300000402353	0	39	-2.0	-109.58	356.05	6.53	-103.05
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C=C1C(=O)[O-]	REAL300000402354	0	36	-2.0	-107.14	347.84	5.81	-101.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)=C1Cl	REAL300000402355	0	36	-2.0	-104.99	354.35	6.27	-98.72
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)=C1	REAL300000402356	0	36	-2.0	-113.46	347.58	5.80	-107.66
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C=C1C(=O)[O-]	REAL300000402357	0	39	-2.0	-109.92	356.51	6.30	-103.62
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C=C1CC(=O)[O-]	REAL300000402358	0	40	-2.0	-111.17	373.01	5.25	-105.92
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC#N	REAL300000402359	0	36	-2.0	-98.49	348.82	6.30	-92.19
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)=CC(C(=O)[O-])=C1Cl	REAL300000402360	0	36	-2.0	-105.94	353.77	6.08	-99.86
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C=C1C(=O)[O-]	REAL300000402361	0	37	-2.0	-108.12	350.57	5.33	-102.79
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C=C1C(=O)[O-]	REAL300000402362	0	36	-2.0	-101.65	352.41	6.09	-95.56
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)=CC=C1C(=O)[O-]	REAL300000402363	0	36	-2.0	-98.33	342.60	5.77	-92.56
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC#N	REAL300000402364	0	36	-2.0	-106.13	342.51	5.93	-100.20
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000402365	0	35	-2.0	-115.51	346.29	6.96	-108.55
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000402366	0	33	-2.0	-112.64	326.21	5.15	-107.49
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C=C1C(=O)[O-]	REAL300000402367	0	36	-2.0	-100.08	343.71	5.69	-94.39
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000402368	0	32	-2.0	-105.93	318.76	3.24	-102.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC#N	REAL300000402369	0	37	-2.0	-100.31	350.72	4.92	-95.39
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000402370	0	30	-2.0	-96.73	322.65	4.09	-92.64
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000402371	0	40	-2.0	-102.22	368.67	7.00	-95.22
N#CCOC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000402372	0	40	-2.0	-106.09	366.63	6.98	-99.11
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC#N)C=C(C(=O)[O-])O1	REAL300000402373	0	36	-2.0	-102.29	344.66	5.12	-97.17
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NNC2=NC=CC=C2[N+](=O)[O-])=C1	REAL300000402399	0	34	-2.0	-119.19	339.30	4.96	-114.23
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NNC2=NC=CC=C2[N+](=O)[O-])=C1	REAL300000402420	0	32	-2.0	-115.91	306.31	3.31	-112.60
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC2=NC=CC=C2[N+](=O)[O-])=C1	REAL300000402428	1	31	-2.0	-102.87	315.04	4.75	-98.12
O=C([O-])C1=CC(S(=O)(=O)[N-]NC2=NC=CC=C2[N+](=O)[O-])=C(Cl)O1	REAL300000402449	1	28	-2.0	-100.32	305.53	3.64	-96.68
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000402453	0	40	-2.0	-89.98	355.29	2.25	-87.73
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000402454	0	33	-2.0	-107.51	303.37	3.68	-103.83
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000402455	0	41	-2.0	-106.35	358.45	4.63	-101.72
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000402456	0	33	-2.0	-96.73	298.80	3.67	-93.06
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000402457	0	33	-2.0	-107.91	298.83	3.65	-104.26
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000402458	0	37	-2.0	-113.07	326.96	3.34	-109.73
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000402459	0	37	-2.0	-96.08	330.28	4.96	-91.12
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000402460	0	36	-2.0	-111.22	314.85	4.19	-107.03
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000402461	0	33	-2.0	-103.18	311.90	4.19	-98.99
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000402462	0	33	-2.0	-105.83	311.34	4.05	-101.78
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000402463	0	33	-2.0	-98.96	324.40	4.58	-94.38
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000402464	0	39	-2.0	-110.40	331.49	4.99	-105.41
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000402465	0	33	-2.0	-105.23	304.30	3.72	-101.51
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000402466	0	39	-2.0	-95.06	342.41	5.23	-89.83
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000402467	0	30	-2.0	-102.69	292.02	2.71	-99.98
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000402468	0	36	-2.0	-108.10	314.26	4.40	-103.70
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000402469	0	37	-2.0	-94.68	329.90	3.94	-90.74
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000402470	0	34	-2.0	-106.73	305.48	3.04	-103.69
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000402471	0	37	-2.0	-108.79	322.61	2.47	-106.32
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000402472	0	33	-2.0	-100.05	307.94	3.37	-96.68
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000402473	0	39	-2.0	-109.35	330.29	4.93	-104.42
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000402474	0	30	-2.0	-105.49	290.49	2.70	-102.79
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000402475	0	41	-2.0	-108.49	357.17	3.47	-105.02
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000402476	0	37	-2.0	-115.91	326.12	3.73	-112.18
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000402477	0	43	-2.0	-112.27	354.06	6.27	-106.00
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000402478	0	42	-2.0	-110.30	352.73	5.65	-104.65
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1O	REAL300000402479	0	39	-2.0	-106.35	328.95	5.34	-101.01
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000402480	0	40	-2.0	-112.78	349.26	4.11	-108.67
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000402481	0	35	-3.0	-185.23	327.23	4.23	-181.00
COC1=CC=C(O)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000402481	1	36	-2.0	-109.58	334.35	1.98	-107.60
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000402482	0	40	-2.0	-112.64	343.07	5.55	-107.09
COC1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000402483	0	33	-2.0	-102.14	301.84	2.80	-99.34
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000402484	0	39	-2.0	-114.87	341.00	3.44	-111.43
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000402485	0	37	-2.0	-111.55	327.75	2.63	-108.92
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000402486	0	41	-2.0	-95.68	351.76	4.25	-91.43
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000402487	0	33	-2.0	-97.88	326.51	4.50	-93.38
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000402488	0	33	-2.0	-100.02	316.42	4.23	-95.79
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000402489	0	37	-2.0	-93.34	345.94	4.47	-88.87
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000402490	0	40	-2.0	-95.12	349.99	4.64	-90.48
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000402491	0	43	-2.0	-93.82	378.58	4.91	-88.91
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000402492	0	36	-2.0	-99.16	319.54	4.43	-94.73
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1	REAL300000402493	0	46	-2.0	-94.85	392.44	5.58	-89.27
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000402494	0	37	-2.0	-94.40	336.13	4.00	-90.40
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2O)C=C1C(=O)[O-]	REAL300000402495	0	40	-2.0	-116.60	347.98	4.64	-111.96
COC1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000402496	0	33	-2.0	-104.76	308.52	3.54	-101.22
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000402497	0	33	-2.0	-97.30	327.05	4.65	-92.65
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000402498	0	33	-2.0	-94.20	311.88	4.19	-90.01
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000402499	0	33	-2.0	-96.43	303.35	3.70	-92.73
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000402500	0	30	-2.0	-98.74	291.09	2.81	-95.93
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000402501	0	33	-2.0	-100.72	305.25	3.72	-97.00
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000402502	0	36	-2.0	-106.77	324.59	4.36	-102.41
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000402503	0	37	-2.0	-99.18	339.14	4.25	-94.93
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000402504	0	33	-2.0	-95.87	304.29	3.72	-92.15
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000402505	0	33	-2.0	-94.46	311.33	4.06	-90.40
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000402506	0	36	-2.0	-100.83	328.27	4.81	-96.02
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000402507	0	41	-2.0	-92.59	362.56	5.08	-87.51
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000402508	0	33	-2.0	-97.35	309.66	3.75	-93.60
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000402509	0	35	-2.0	-94.78	327.03	4.32	-90.46
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000402510	0	34	-2.0	-107.08	308.53	1.26	-105.82
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000402511	0	36	-2.0	-99.81	321.02	4.43	-95.38
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000402512	0	33	-2.0	-98.84	319.54	4.18	-94.66
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000402513	0	36	-2.0	-106.20	308.87	4.26	-101.94
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000402514	0	36	-2.0	-108.98	323.67	4.31	-104.67
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000402515	0	36	-2.0	-96.65	314.24	4.38	-92.27
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000402516	0	39	-2.0	-111.06	332.29	4.74	-106.32
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000402517	0	35	-2.0	-108.48	325.40	4.74	-103.74
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000402518	0	33	-2.0	-97.35	310.58	3.78	-93.57
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000402519	0	39	-2.0	-110.71	332.36	5.05	-105.66
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000402520	0	36	-2.0	-107.57	324.15	4.35	-103.22
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000402521	0	36	-2.0	-105.03	330.59	4.77	-100.26
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000402522	0	36	-2.0	-115.56	323.86	4.34	-111.22
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2O)C=C1C(=O)[O-]	REAL300000402523	0	39	-2.0	-111.96	333.15	4.84	-107.12
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000402524	0	40	-2.0	-110.80	349.30	3.79	-107.01
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000402525	0	36	-2.0	-99.40	325.09	4.83	-94.57
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000402526	0	36	-2.0	-93.44	328.95	4.46	-88.98
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000402527	0	36	-2.0	-107.74	330.06	4.61	-103.13
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2O)C=C1C(=O)[O-]	REAL300000402528	0	37	-2.0	-107.98	326.77	3.90	-104.08
COC1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000402529	0	45	-2.0	-110.51	363.98	6.41	-104.10
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000402530	0	33	-2.0	-96.04	324.44	4.22	-91.82
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000402531	0	36	-2.0	-102.77	332.60	4.72	-98.05
COC1=CC=C(O)C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000402532	0	42	-2.0	-104.21	348.27	5.70	-98.51
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000402533	0	37	-2.0	-108.75	339.15	4.26	-104.49
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000402534	0	36	-2.0	-96.78	314.84	4.20	-92.58
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000402535	0	38	-2.0	-99.80	342.08	5.65	-94.15
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000402536	0	36	-2.0	-105.94	318.37	4.47	-101.47
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000402537	0	35	-2.0	-117.85	322.56	5.36	-112.49
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000402538	0	33	-2.0	-114.69	302.46	3.68	-111.01
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000402539	0	36	-2.0	-101.01	323.78	4.33	-96.68
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000402540	0	39	-2.0	-118.61	339.87	5.78	-112.83
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000402541	0	32	-2.0	-107.27	295.04	1.80	-105.47
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000402542	0	37	-2.0	-101.03	327.03	3.33	-97.70
COC1=CC=C(O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000402543	0	30	-2.0	-97.27	298.93	2.65	-94.62
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000402544	0	40	-2.0	-102.39	344.95	5.53	-96.86
COC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000402545	0	40	-2.0	-106.87	342.91	5.51	-101.36
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000402546	0	36	-2.0	-101.90	320.95	3.65	-98.25
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C(C(N)=O)S1	REAL300000402547	0	39	-2.0	-94.89	371.66	0.18	-94.71
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402548	1	32	-2.0	-111.59	319.73	1.62	-109.97
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)SC(C(N)=O)=C1	REAL300000402549	0	40	-2.0	-113.42	374.82	2.69	-110.73
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C(C(N)=O)S1	REAL300000402550	1	32	-2.0	-101.55	315.20	1.59	-99.96
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402551	0	32	-2.0	-114.43	315.54	1.57	-112.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)SC(C(N)=O)=C1	REAL300000402552	0	36	-2.0	-120.96	343.34	1.40	-119.56
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C(C(N)=O)S1	REAL300000402553	0	36	-2.0	-101.08	346.65	2.89	-98.19
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402554	1	35	-2.0	-115.51	331.22	2.12	-113.39
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C(C(N)=O)S1	REAL300000402555	0	32	-2.0	-110.76	328.27	2.16	-108.60
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402556	0	32	-2.0	-110.10	327.70	1.98	-108.12
CC1=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402557	0	38	-2.0	-118.43	348.64	2.90	-115.53
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C(C(N)=O)S1	REAL300000402558	0	32	-2.0	-112.49	320.68	1.65	-110.84
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C(C(N)=O)S1	REAL300000402559	0	38	-2.0	-100.59	358.79	3.17	-97.42
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C(C(N)=O)S1	REAL300000402560	0	29	-2.0	-108.66	308.72	0.61	-108.05
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C(C(N)=O)S1	REAL300000402561	0	35	-2.0	-116.45	330.97	2.36	-114.09
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C(C(N)=O)S1	REAL300000402562	1	36	-2.0	-99.75	346.27	1.88	-97.87
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402563	0	33	-2.0	-112.62	321.85	0.94	-111.68
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C(C(N)=O)S1	REAL300000402564	1	36	-2.0	-116.87	339.74	0.39	-116.48
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)SC(C(N)=O)=C2)=C1	REAL300000402565	0	32	-2.0	-104.60	324.31	1.29	-103.31
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402566	1	38	-2.0	-117.78	346.98	2.89	-114.89
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402567	0	29	-2.0	-110.03	306.85	0.62	-109.41
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000402568	1	36	-2.0	-120.13	342.50	1.66	-118.47
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C(C(N)=O)S1	REAL300000402569	0	42	-2.0	-120.55	370.44	4.23	-116.32
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C(C(N)=O)S1	REAL300000402570	0	41	-2.0	-118.75	369.10	3.61	-115.14
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)SC(C(N)=O)=C1	REAL300000402571	0	38	-2.0	-114.86	345.32	3.31	-111.55
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)SC(C(N)=O)=C1	REAL300000402572	0	39	-2.0	-120.45	365.63	2.17	-118.28
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402573	0	34	-3.0	-189.90	343.60	2.15	-187.75
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402573	1	35	-2.0	-116.91	343.35	2.18	-114.73
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C(C(N)=O)S1	REAL300000402574	0	39	-2.0	-120.85	359.44	3.49	-117.36
CC1=C(S(=O)(=O)[N-]C2=C(C)SC(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000402575	0	32	-2.0	-108.97	318.21	0.73	-108.24
CC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402576	0	38	-2.0	-119.20	357.36	1.36	-117.84
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C(C(N)=O)S1	REAL300000402577	0	36	-2.0	-114.81	344.19	0.69	-114.12
CC1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C(C(N)=O)S1	REAL300000402578	1	40	-2.0	-100.43	368.11	2.19	-98.24
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C(C(N)=O)S1	REAL300000402579	0	32	-2.0	-107.28	333.13	2.16	-105.12
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C(C(N)=O)S1	REAL300000402580	1	39	-2.0	-100.25	366.36	2.58	-97.67
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C(C(N)=O)S1	REAL300000402581	0	35	-2.0	-106.68	336.26	2.39	-104.29
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C(C(N)=O)S1	REAL300000402582	0	36	-2.0	-99.09	352.50	1.94	-97.15
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000402583	1	39	-2.0	-120.72	364.33	2.57	-118.15
CC1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402584	0	32	-2.0	-112.67	324.16	1.48	-111.19
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C(C(N)=O)S1	REAL300000402585	0	32	-2.0	-98.90	328.59	2.14	-96.76
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C(C(N)=O)S1	REAL300000402586	0	32	-2.0	-100.88	319.71	1.63	-99.25
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C(C(N)=O)S1	REAL300000402587	0	29	-2.0	-103.35	307.45	0.73	-102.62
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402588	0	32	-2.0	-105.03	321.60	1.66	-103.37
CC1=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402589	0	35	-2.0	-113.99	341.28	2.27	-111.72
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C(C(N)=O)S1	REAL300000402590	0	32	-2.0	-100.90	321.00	1.65	-99.25
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C(C(N)=O)S1	REAL300000402591	0	32	-2.0	-98.98	327.69	1.99	-96.99
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C(C(N)=O)S1	REAL300000402592	0	35	-2.0	-108.45	344.65	2.78	-105.67
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C(C(N)=O)S1	REAL300000402593	0	40	-2.0	-97.67	378.95	3.00	-94.67
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402594	0	32	-2.0	-103.03	326.02	1.68	-101.35
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402595	0	34	-2.0	-99.08	343.39	2.26	-96.82
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C(C(N)=O)S1	REAL300000402596	0	33	-2.0	-115.68	324.92	-0.70	-116.38
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C(C(N)=O)S1	REAL300000402597	0	35	-2.0	-106.01	337.39	2.37	-103.64
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402598	0	32	-2.0	-104.56	335.90	2.12	-102.44
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C(C(N)=O)S1	REAL300000402599	0	35	-2.0	-109.56	325.58	2.21	-107.35
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)C=C(C(N)=O)S1	REAL300000402600	1	35	-2.0	-112.90	340.03	2.24	-110.66
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C(C(N)=O)S1	REAL300000402601	1	35	-2.0	-101.99	330.95	2.34	-99.65
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)C=C(C(N)=O)S1	REAL300000402602	1	38	-2.0	-117.46	348.66	2.66	-114.80
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402603	0	34	-2.0	-112.23	341.75	2.69	-109.54
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C(C(N)=O)S1	REAL300000402604	0	32	-2.0	-103.78	327.27	1.70	-102.08
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C(C(N)=O)S1	REAL300000402605	1	38	-2.0	-114.08	348.73	3.00	-111.08
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402606	0	35	-2.0	-113.70	337.01	2.17	-111.53
CC1=C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402607	0	35	-2.0	-112.60	347.32	2.71	-109.89
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C(C(N)=O)S1	REAL300000402608	0	35	-2.0	-118.20	340.55	2.27	-115.93
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000402609	1	38	-2.0	-116.38	349.14	2.78	-113.60
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC(C(N)=O)=C2)C=C1CC(=O)[O-]	REAL300000402610	1	39	-2.0	-116.79	365.67	1.72	-115.07
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C(C(N)=O)S1	REAL300000402611	0	35	-2.0	-103.04	341.46	2.78	-100.26
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)C=C(C(N)=O)S1	REAL300000402612	0	35	-2.0	-111.83	346.42	2.55	-109.28
CCN1C=C(S(=O)(=O)[N-]C2=C(C)SC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000402613	0	36	-2.0	-113.90	343.15	1.79	-112.11
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=C(C(N)=O)S1	REAL300000402614	1	44	-2.0	-114.03	380.11	4.45	-109.58
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402615	0	35	-2.0	-107.66	345.06	2.56	-105.10
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C(C(N)=O)S1	REAL300000402616	1	35	-2.0	-101.76	331.21	2.13	-99.63
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C(C(N)=O)S1	REAL300000402617	0	37	-2.0	-106.36	358.79	3.77	-102.59
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C(C(N)=O)S1	REAL300000402618	1	35	-2.0	-113.64	335.49	2.39	-111.25
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C(C(N)=O)S1	REAL300000402619	0	34	-2.0	-120.36	339.29	3.45	-116.91
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C(C(N)=O)S1	REAL300000402620	0	32	-2.0	-117.28	319.18	1.60	-115.68
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402621	0	35	-2.0	-105.90	336.36	2.16	-103.74
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402622	0	38	-2.0	-122.63	356.24	3.71	-118.92
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C(C(N)=O)S1	REAL300000402623	0	31	-2.0	-112.11	311.41	-0.29	-112.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)SC(C(N)=O)=C1	REAL300000402624	0	36	-2.0	-105.95	343.74	1.38	-104.57
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C(C(N)=O)S1	REAL300000402625	0	29	-2.0	-102.27	315.31	0.57	-101.70
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C(C(N)=O)S1	REAL300000402626	0	39	-2.0	-108.74	361.32	3.48	-105.26
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C(C(N)=O)S1	REAL300000402627	0	39	-2.0	-110.07	359.29	3.46	-106.61
CCC1=C(S(=O)(=O)[N-]C2=C(C)SC(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000402628	0	35	-2.0	-109.01	337.33	1.58	-107.43
CC1SC2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1C	REAL300000402659	0	40	-2.0	-108.37	342.17	7.00	-101.37
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000402679	0	38	-2.0	-85.73	371.19	3.28	-82.45
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000402680	0	31	-2.0	-101.27	319.25	4.72	-96.55
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000402681	0	39	-2.0	-101.72	374.33	5.80	-95.92
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000402682	0	31	-2.0	-91.75	314.71	4.70	-87.05
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000402683	0	31	-2.0	-103.34	314.71	4.69	-98.65
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000402684	0	35	-2.0	-107.61	342.86	4.51	-103.10
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000402685	0	35	-2.0	-91.49	346.17	5.99	-85.50
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000402686	0	34	-2.0	-104.40	330.73	5.23	-99.17
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000402687	0	31	-2.0	-98.48	327.79	5.26	-93.22
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000402688	0	31	-2.0	-99.49	327.22	5.09	-94.40
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000402689	0	37	-2.0	-105.16	347.82	6.03	-99.13
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000402690	0	31	-2.0	-99.76	320.18	4.76	-95.00
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000402691	0	37	-2.0	-90.44	358.29	6.27	-84.17
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000402692	0	28	-2.0	-97.66	307.90	3.72	-93.94
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000402693	0	34	-2.0	-103.43	330.15	5.48	-97.95
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000402694	0	35	-2.0	-90.20	345.79	4.98	-85.22
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000402695	0	32	-2.0	-101.88	321.35	4.05	-97.83
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000402696	0	35	-2.0	-104.17	338.50	3.55	-100.62
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000402697	0	31	-2.0	-94.24	323.82	4.39	-89.85
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000402698	0	37	-2.0	-104.50	346.17	6.01	-98.49
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000402699	0	28	-2.0	-99.14	306.37	3.73	-95.41
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000402700	0	35	-2.0	-109.31	341.99	4.76	-104.55
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000402701	0	41	-2.0	-106.92	369.95	7.34	-99.58
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000402702	0	40	-2.0	-105.34	368.61	6.72	-98.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)OC)=CS1	REAL300000402703	0	37	-2.0	-101.93	344.84	6.43	-95.50
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000402704	0	38	-2.0	-109.00	365.15	5.27	-103.73
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000402705	0	33	-3.0	-177.59	343.12	5.26	-172.33
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000402706	0	38	-2.0	-107.21	358.96	6.59	-100.62
COC(=O)C1=CSC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000402707	0	31	-2.0	-97.21	317.73	3.84	-93.37
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000402708	0	37	-2.0	-108.24	356.89	4.47	-103.77
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000402709	0	35	-2.0	-105.67	343.63	3.81	-101.86
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000402710	0	39	-2.0	-90.49	367.64	5.30	-85.19
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000402711	0	31	-2.0	-95.59	332.30	5.29	-90.30
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000402712	0	38	-2.0	-90.54	365.88	5.69	-84.85
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000402713	0	34	-2.0	-94.59	335.42	5.51	-89.08
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000402714	0	35	-2.0	-89.98	352.02	5.04	-84.94
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=CS2)C=C1C(=O)[O-]	REAL300000402715	0	38	-2.0	-109.99	363.85	5.67	-104.32
COC(=O)C1=CSC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000402716	0	31	-2.0	-100.12	324.41	4.60	-95.52
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000402717	0	31	-2.0	-89.57	327.77	5.25	-84.32
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000402718	0	31	-2.0	-91.54	319.23	4.73	-86.81
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000402719	0	28	-2.0	-92.94	306.98	3.83	-89.11
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000402720	0	31	-2.0	-94.57	321.13	4.76	-89.81
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000402721	0	34	-2.0	-101.03	340.46	5.39	-95.64
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000402722	0	31	-2.0	-91.07	320.18	4.77	-86.30
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000402723	0	31	-2.0	-89.47	327.20	5.10	-84.37
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000402724	0	34	-2.0	-96.19	344.16	5.90	-90.29
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000402725	0	39	-2.0	-88.43	378.46	6.11	-82.32
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000402726	0	31	-2.0	-93.14	325.53	4.79	-88.35
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000402727	0	33	-2.0	-89.02	342.91	5.36	-83.66
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000402728	0	31	-3.0	-196.12	320.86	3.31	-192.81
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000402728	1	32	-2.0	-101.94	324.41	2.43	-99.51
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000402729	0	34	-2.0	-94.33	336.90	5.47	-88.86
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000402730	0	31	-2.0	-94.49	335.42	5.22	-89.27
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000402731	0	34	-2.0	-100.64	324.75	5.34	-95.30
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000402732	0	34	-2.0	-102.53	339.55	5.35	-97.18
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000402733	0	34	-2.0	-91.95	330.13	5.47	-86.48
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000402734	0	37	-2.0	-106.08	348.18	5.78	-100.30
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000402735	0	33	-2.0	-102.71	341.27	5.78	-96.93
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000402736	0	31	-2.0	-91.96	326.45	4.82	-87.14
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000402737	0	37	-2.0	-105.00	348.24	6.12	-98.88
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000402738	0	34	-2.0	-101.95	340.03	5.39	-96.56
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000402739	0	34	-2.0	-100.12	346.49	5.83	-94.29
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000402740	0	34	-2.0	-108.96	339.75	5.39	-103.57
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=CS2)C=C1C(=O)[O-]	REAL300000402741	0	37	-2.0	-105.03	348.95	5.88	-99.15
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000402742	0	38	-2.0	-106.86	365.18	4.83	-102.03
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000402743	0	34	-2.0	-93.83	340.98	5.88	-87.95
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000402744	0	34	-2.0	-101.13	345.94	5.65	-95.48
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=CS2)C=C1C(=O)[O-]	REAL300000402745	0	35	-2.0	-103.09	342.74	4.92	-98.17
COC(=O)C1=CSC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000402746	0	43	-2.0	-105.21	379.86	7.56	-97.65
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000402747	0	34	-2.0	-96.77	344.58	5.66	-91.11
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000402748	0	34	-2.0	-91.78	330.72	5.24	-86.54
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000402749	0	34	-2.0	-101.55	334.25	5.55	-96.00
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000402750	0	33	-2.0	-111.74	338.44	6.57	-105.17
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000402751	0	31	-2.0	-108.34	318.35	4.72	-103.62
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000402752	0	34	-2.0	-95.20	335.88	5.26	-89.94
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000402753	0	37	-2.0	-111.50	355.76	6.81	-104.69
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000402754	0	30	-2.0	-100.99	310.92	2.82	-98.17
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000402755	0	35	-2.0	-95.58	342.92	4.51	-91.07
COC(=O)C1=CSC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000402756	0	28	-2.0	-91.32	314.81	3.67	-87.65
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000402757	0	38	-2.0	-97.63	360.84	6.58	-91.05
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000402758	0	38	-2.0	-101.60	358.80	6.56	-95.04
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=CS2)C=C(C(=O)[O-])O1	REAL300000402759	0	34	-2.0	-96.98	336.84	4.69	-92.29
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C1	REAL300000402760	1	38	-2.0	-126.87	366.06	4.06	-122.81
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=C1	REAL300000402761	1	38	-2.0	-122.85	366.11	4.05	-118.80
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C#N)=C1	REAL300000402762	0	38	-2.0	-138.83	363.33	3.95	-134.88
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)ON=C2C)=C1	REAL300000402763	0	39	-2.0	-122.22	360.23	2.58	-119.64
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2)=C1	REAL300000402764	1	40	-2.0	-134.35	366.71	4.33	-130.02
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC=C2C)=C1	REAL300000402766	1	43	-2.0	-133.29	382.20	5.11	-128.18
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)=C1	REAL300000402767	1	43	-2.0	-135.38	383.73	4.85	-130.53
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C=C2C)=C1	REAL300000402768	1	43	-2.0	-132.68	382.20	5.10	-127.58
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2OC)=C1	REAL300000402769	0	41	-2.0	-139.89	373.57	3.44	-136.45
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000402770	0	34	-2.0	-130.58	337.24	2.66	-127.92
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC)C=C2)=C1	REAL300000402771	1	41	-2.0	-130.44	374.81	2.95	-127.49
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C=C2)=C1	REAL300000402772	1	40	-2.0	-133.64	366.72	4.33	-129.31
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300000402773	0	37	-2.0	-128.42	351.72	3.73	-124.69
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000402774	1	37	-2.0	-133.24	345.31	3.66	-129.58
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)S2)=C1	REAL300000402776	0	37	-2.0	-132.23	359.13	3.46	-128.77
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CCC(=O)OC)=C1	REAL300000402777	1	39	-2.0	-126.73	364.01	2.21	-124.52
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(S(=O)(=O)CC)=CC=C2C(=O)[O-])C=C1	REAL300000402778	1	43	-2.0	-133.10	388.20	5.09	-128.01
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1	REAL300000402779	1	37	-2.0	-124.45	351.72	3.72	-120.73
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2F)=C1	REAL300000402780	0	37	-2.0	-138.84	350.80	3.71	-135.13
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2)=C1	REAL300000402781	0	37	-2.0	-128.83	349.85	1.37	-127.46
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC=C2O)=C1	REAL300000402783	0	41	-2.0	-132.59	376.49	2.02	-130.57
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2)=C1	REAL300000402784	0	34	-2.0	-124.29	326.90	0.06	-124.23
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1	REAL300000402785	0	36	-2.0	-121.54	346.74	1.93	-119.61
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C=N2)=C1	REAL300000402786	0	37	-2.0	-143.15	349.49	2.75	-140.40
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=C1	REAL300000402787	0	37	-2.0	-118.31	361.30	2.17	-116.14
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C(C)=N2)=C1	REAL300000402788	0	40	-2.0	-146.40	369.85	2.58	-143.82
CCN1C=C(S(=O)(=O)[N-]C2=CC(S(=O)(=O)CC)=CC=C2C(=O)[O-])C=N1	REAL300000402789	0	40	-2.0	-129.24	371.38	2.23	-127.01
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2C)=C1	REAL300000402790	0	37	-2.0	-126.34	345.70	0.71	-125.63
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(OC)=C2)=C1	REAL300000402791	1	41	-2.0	-134.82	374.81	2.96	-131.86
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C)=C1	REAL300000402792	1	40	-2.0	-132.19	360.80	4.43	-127.76
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=NN(C)C=C2)=C1	REAL300000402794	0	37	-2.0	-139.39	350.15	1.20	-138.19
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C)=C1	REAL300000402795	0	37	-2.0	-123.71	345.55	1.29	-122.42
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CCOC)=C1	REAL300000402796	1	37	-2.0	-123.92	342.22	0.45	-123.47
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC2CCCO2)=C1	REAL300000402797	0	41	-2.0	-132.65	364.65	1.87	-130.78
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC2CCCCO2)=C1	REAL300000402798	0	44	-2.0	-130.97	382.15	2.94	-128.03
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC=N2)=C1	REAL300000402800	0	34	-2.0	-140.45	326.78	1.05	-139.40
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CS2)=C1	REAL300000402802	0	37	-2.0	-132.30	353.54	3.48	-128.82
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CCOC(C)C)=C1	REAL300000402809	1	43	-2.0	-124.94	384.35	2.16	-122.78
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(S(=O)(=O)CC)=CC=C2C(=O)[O-])=C1	REAL300000402810	1	43	-2.0	-134.55	388.20	5.09	-129.46
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C)S2)=C1	REAL300000402813	0	36	-2.0	-127.83	353.84	1.49	-126.34
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CCOCCOC)=C1	REAL300000402814	1	44	-2.0	-127.38	397.70	0.68	-126.70
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)OC(C)=C2)=C1	REAL300000402818	0	40	-2.0	-128.95	368.25	3.24	-125.71
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)O2)=C1	REAL300000402819	0	37	-2.0	-132.08	349.90	2.47	-129.61
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CO2)=C1	REAL300000402821	0	34	-2.0	-130.12	327.99	1.66	-128.46
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=NN2C)=C1	REAL300000402822	0	36	-2.0	-117.94	339.76	0.08	-117.86
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300000402823	0	41	-2.0	-136.65	373.44	3.10	-133.55
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(S(=O)(=O)CC)=CC=C1C(=O)[O-]	REAL300000402824	1	43	-2.0	-127.92	373.04	5.27	-122.65
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)ON=C2N)=C1	REAL300000402828	0	38	-2.0	-121.60	352.83	1.02	-120.58
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)N=C2)=C1	REAL300000402830	0	39	-2.0	-129.24	361.92	2.50	-126.74
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC(C)OC)=C1	REAL300000402831	1	40	-2.0	-128.90	360.88	1.63	-127.27
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=NN2C)=C1	REAL300000402833	0	40	-2.0	-125.04	362.19	2.12	-122.92
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)O2)=C1	REAL300000402834	0	35	-2.0	-121.28	349.16	2.21	-119.07
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC=C2)=C1	REAL300000402835	0	34	-2.0	-127.69	336.42	2.57	-125.12
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=COC=C2)=C1	REAL300000402836	0	34	-2.0	-128.02	327.84	1.55	-126.47
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CS2)=C1	REAL300000402837	0	37	-2.0	-131.03	358.87	3.32	-127.71
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2Cl)=C1	REAL300000402838	0	34	-2.0	-126.57	343.59	0.47	-126.10
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=NS2)=C1	REAL300000402839	0	36	-2.0	-124.26	353.79	1.95	-122.31
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC(=O)S2)=C1	REAL300000402840	1	34	-2.0	-123.64	342.14	-0.46	-124.10
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000402841	0	34	-2.0	-129.76	343.59	2.70	-127.06
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2(COC)CC2)=C1	REAL300000402842	1	41	-2.0	-128.27	361.43	3.12	-125.15
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)N=S(C)(C)=O)=C1	REAL300000402843	0	37	-2.0	-156.88	350.65	-0.40	-157.28
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=NC=CN2)=C1	REAL300000402844	0	34	-2.0	-135.49	326.93	0.24	-135.25
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)N(C)N=C2)=C1	REAL300000402847	0	40	-2.0	-127.36	365.97	1.89	-125.47
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(S(=O)(=O)CC)=CC=C2C(=O)[O-])C=C1	REAL300000402848	1	41	-2.0	-133.67	376.41	4.75	-128.92
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C)=C1	REAL300000402849	0	40	-2.0	-130.13	368.68	2.01	-128.12
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=C1	REAL300000402850	0	37	-2.0	-119.74	361.24	2.25	-117.49
CCC(CS(=O)(=O)[N-]C1=CC(S(=O)(=O)CC)=CC=C1C(=O)[O-])OC	REAL300000402852	0	43	-2.0	-129.04	379.21	2.13	-126.91
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CCOCC2CC2)=C1	REAL300000402853	1	44	-2.0	-124.47	395.76	3.00	-121.47
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC(OC)C2CC2)=C1	REAL300000402854	0	44	-2.0	-129.71	388.14	3.04	-126.67
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CON=C2C)=C1	REAL300000402855	0	36	-2.0	-121.06	342.25	1.62	-119.44
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000402856	0	36	-2.0	-136.53	345.81	1.83	-134.70
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1	REAL300000402858	0	36	-2.0	-119.81	346.73	1.81	-118.00
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)CC(OC)C(C)C)=C1	REAL300000402860	0	46	-2.0	-129.99	394.68	2.83	-127.16
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C)N2C)=C1	REAL300000402861	0	40	-2.0	-130.38	364.67	2.63	-127.75
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C1	REAL300000402863	0	37	-2.0	-123.24	350.52	1.01	-122.23
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000402864	0	33	-2.0	-123.37	332.04	1.36	-122.01
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=N2)=C1	REAL300000402865	0	36	-2.0	-139.53	344.25	-0.01	-139.54
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(S(=O)(=O)CC)=CC=C1C(=O)[O-]	REAL300000402866	0	39	-2.0	-117.79	360.53	0.99	-116.80
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)=C1	REAL300000402867	1	41	-2.0	-131.59	373.32	1.36	-130.23
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)NC=N2)=C1	REAL300000402868	0	37	-2.0	-142.57	344.25	1.73	-140.84
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC=C2C)=C1	REAL300000402870	1	43	-2.0	-131.55	374.95	5.29	-126.26
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=NN2C)=C1	REAL300000402871	0	40	-2.0	-125.14	367.48	1.87	-123.27
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2C)=C1	REAL300000402872	1	43	-2.0	-133.50	377.79	4.97	-128.53
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(S(=O)(=O)CC)=CC=C2C(=O)[O-])O1	REAL300000402874	0	40	-2.0	-132.10	371.39	3.26	-128.84
CCN1N=CC(S(=O)(=O)[N-]C2=CC(S(=O)(=O)CC)=CC=C2C(=O)[O-])=N1	REAL300000402875	0	39	-2.0	-129.04	366.02	0.53	-128.51
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1	REAL300000402876	0	34	-2.0	-125.73	345.05	2.27	-123.46
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CO2)=C1	REAL300000402877	0	37	-2.0	-131.23	349.89	2.32	-128.91
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C1	REAL300000402878	0	35	-2.0	-128.89	349.42	2.12	-126.77
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300000402879	0	34	-2.0	-126.70	344.08	2.16	-124.54
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C1	REAL300000402880	0	35	-2.0	-130.26	348.28	2.06	-128.20
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300000402881	1	38	-2.0	-133.33	356.33	0.80	-132.53
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000402882	0	33	-2.0	-120.53	330.97	1.25	-119.28
CCS(=O)(=O)C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000402883	0	33	-2.0	-125.87	331.89	0.78	-125.09
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000402884	1	38	-2.0	-109.11	347.43	7.51	-101.60
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000402885	1	38	-2.0	-98.92	342.75	7.48	-91.44
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000402886	1	38	-2.0	-111.96	342.90	7.48	-104.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)C	REAL300000402887	0	42	-2.0	-117.00	371.04	7.28	-109.72
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000402888	1	42	-2.0	-97.91	374.35	8.77	-89.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)C=C1C(=O)[O-]	REAL300000402889	1	41	-2.0	-113.22	359.10	8.02	-105.20
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000402890	0	38	-2.0	-106.84	355.83	8.05	-98.79
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000402891	1	38	-2.0	-107.63	355.41	7.87	-99.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)=C1C	REAL300000402892	1	44	-2.0	-113.92	375.87	8.80	-105.12
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000402893	0	38	-2.0	-109.05	348.24	7.54	-101.51
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000402894	1	44	-2.0	-97.19	386.47	9.05	-88.14
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000402895	0	35	-2.0	-106.11	336.08	6.49	-99.62
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)C	REAL300000402896	1	41	-2.0	-111.95	358.34	8.27	-103.68
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000402897	1	42	-2.0	-96.62	373.97	7.76	-88.86
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000402898	0	39	-2.0	-110.12	349.55	6.82	-103.30
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)C	REAL300000402899	1	42	-2.0	-112.52	366.68	6.31	-106.21
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)=C1	REAL300000402900	0	38	-2.0	-102.12	351.90	7.15	-94.97
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)C=C1C(=O)[O-]	REAL300000402901	1	44	-2.0	-113.30	374.46	8.80	-104.50
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000402902	0	35	-2.0	-107.45	334.55	6.51	-100.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)C=C1C(=O)[O-]	REAL300000402903	1	42	-2.0	-117.71	370.05	7.54	-110.17
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000402904	1	47	-2.0	-114.17	396.66	9.48	-104.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)C	REAL300000402905	1	44	-2.0	-109.67	371.67	9.15	-100.52
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)C	REAL300000402906	0	45	-2.0	-117.76	393.19	8.04	-109.72
CC(C)SC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000402907	0	41	-2.0	-109.20	369.39	7.91	-101.29
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000402907	1	40	-3.0	-189.52	371.17	8.04	-181.48
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000402908	1	45	-2.0	-116.57	387.14	9.37	-107.20
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)C=C(C(=O)[O-])O1	REAL300000402909	0	38	-2.0	-105.08	345.77	6.61	-98.47
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)=C1	REAL300000402910	0	42	-2.0	-112.65	371.89	6.57	-106.08
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)=CC=C1OCC(=O)[O-]	REAL300000402911	1	45	-2.0	-97.12	394.05	8.47	-88.65
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)C	REAL300000402912	0	41	-2.0	-102.61	363.48	8.29	-94.32
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000402913	1	42	-2.0	-96.00	380.19	7.83	-88.17
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)C=C1C(=O)[O-]	REAL300000402914	1	45	-2.0	-118.39	392.03	8.45	-109.94
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)C=C(C(=O)[O-])S1	REAL300000402915	0	38	-2.0	-108.45	351.52	7.37	-101.08
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000402916	0	38	-2.0	-96.22	355.82	8.04	-88.18
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000402917	0	38	-2.0	-98.29	347.29	7.52	-90.77
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000402918	0	35	-2.0	-100.90	335.03	6.61	-94.29
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000402919	0	38	-2.0	-102.65	349.17	7.54	-95.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)=C1F	REAL300000402920	0	41	-2.0	-110.54	368.51	8.17	-102.37
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000402921	0	38	-2.0	-98.64	348.23	7.55	-91.09
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000402922	1	38	-2.0	-96.41	355.40	7.88	-88.53
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)C	REAL300000402923	0	41	-2.0	-104.23	372.22	8.68	-95.55
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000402924	0	38	-2.0	-100.51	353.58	7.57	-92.94
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000402925	0	40	-2.0	-96.65	370.95	8.15	-88.50
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000402926	0	39	-2.0	-110.70	352.62	5.18	-105.52
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000402927	1	41	-2.0	-102.27	364.94	8.25	-94.02
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)C	REAL300000402928	1	41	-2.0	-108.04	352.89	8.11	-99.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)=CC(C(=O)[O-])=C1F	REAL300000402929	1	41	-2.0	-110.58	367.60	8.13	-102.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)C	REAL300000402930	1	41	-2.0	-98.74	358.18	8.25	-90.49
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)=CC(C(=O)[O-])=C1C	REAL300000402931	1	44	-2.0	-115.35	375.82	8.55	-106.80
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000402932	0	40	-2.0	-109.65	369.11	8.54	-101.11
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000402933	0	38	-2.0	-100.75	354.50	7.60	-93.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)C(C)=C1C(=O)[O-]	REAL300000402934	1	44	-2.0	-112.56	376.06	8.86	-103.70
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)C=C1C(=O)[O-]	REAL300000402935	0	41	-2.0	-110.34	364.43	8.07	-102.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)=C1Cl	REAL300000402936	0	41	-2.0	-108.72	374.54	8.61	-100.11
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)=C1	REAL300000402937	0	41	-2.0	-117.35	367.78	8.17	-109.18
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)C=C1C(=O)[O-]	REAL300000402938	1	44	-2.0	-114.02	376.72	8.66	-105.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)C=C1CC(=O)[O-]	REAL300000402939	1	45	-2.0	-114.61	393.22	7.61	-107.00
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)C	REAL300000402940	0	41	-2.0	-101.26	369.22	8.65	-92.61
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)=CC(C(=O)[O-])=C1Cl	REAL300000402941	1	41	-2.0	-109.53	373.99	8.43	-101.10
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)C=C1C(=O)[O-]	REAL300000402942	0	42	-2.0	-111.44	370.92	7.69	-103.75
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)C=C1C(=O)[O-]	REAL300000402943	1	41	-2.0	-105.36	372.82	8.45	-96.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)=CC=C1C(=O)[O-]	REAL300000402944	1	41	-2.0	-100.69	362.98	8.11	-92.58
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)C	REAL300000402945	1	41	-2.0	-109.10	362.71	8.29	-100.81
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000402946	0	40	-2.0	-119.00	366.64	9.33	-109.67
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000402947	0	38	-2.0	-116.42	346.54	7.50	-108.92
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)C=C1C(=O)[O-]	REAL300000402948	0	41	-2.0	-103.64	364.13	8.05	-95.59
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000402949	0	37	-2.0	-109.84	338.98	5.59	-104.25
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1SC(C)C	REAL300000402950	0	42	-2.0	-103.08	370.97	7.27	-95.81
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000402951	0	35	-2.0	-99.14	342.87	6.44	-92.70
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000402952	1	45	-2.0	-105.25	389.03	9.36	-95.89
CC(C)SC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000402953	0	45	-2.0	-108.97	386.85	9.34	-99.63
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC(C)C)C=C(C(=O)[O-])O1	REAL300000402954	0	41	-2.0	-104.40	365.02	7.47	-96.93
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000402957	1	46	-2.0	-110.47	387.93	7.17	-103.30
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000402959	0	46	-2.0	-108.13	392.12	7.07	-101.06
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000402960	0	43	-2.0	-105.48	379.83	6.03	-99.45
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C21	REAL300000402962	1	47	-2.0	-109.75	393.30	6.37	-103.38
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C21	REAL300000402963	0	46	-2.0	-100.80	397.04	6.85	-93.95
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000402964	0	43	-2.0	-106.64	378.30	6.04	-100.60
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C21	REAL300000402965	0	46	-2.0	-104.27	389.65	6.16	-98.11
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C21	REAL300000402966	1	46	-2.0	-108.00	396.34	6.91	-101.09
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000402967	1	46	-2.0	-97.10	392.46	7.21	-89.89
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000402968	0	43	-2.0	-100.18	378.92	6.14	-94.04
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000402969	1	46	-2.0	-102.05	393.05	7.08	-94.97
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000402970	0	46	-2.0	-97.82	392.11	7.08	-90.74
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000402971	0	47	-2.0	-110.45	396.37	4.71	-105.74
CCCCN1CCC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000402971	1	47	-2.0	-106.17	386.67	5.76	-100.41
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000402972	1	49	-2.0	-101.01	410.10	7.95	-93.06
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CN(CC)C(C(=O)[O-])=C3)C=C21	REAL300000402975	1	50	-2.0	-111.14	414.67	7.23	-103.91
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000402977	0	46	-2.0	-115.71	390.31	7.05	-108.66
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000402978	0	45	-2.0	-107.93	383.64	5.06	-102.87
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000402979	0	43	-2.0	-97.67	388.08	6.14	-91.53
CCCCN1CCC2=CC=C([N-]S(=O)(=O)C3=C(CC)OC(C(=O)[O-])=C3)C=C21	REAL300000402980	0	49	-2.0	-104.04	408.77	7.01	-97.03
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=C(OC)C(F)=C1	REAL300000402982	1	40	-2.0	-104.19	367.24	5.53	-98.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=C(OC)C(F)=C1	REAL300000402985	1	36	-2.0	-110.82	335.76	4.24	-106.58
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1F	REAL300000402988	1	32	-2.0	-101.27	320.69	5.02	-96.25
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000402991	1	32	-2.0	-102.65	313.09	4.51	-98.14
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000402993	0	29	-2.0	-99.62	300.80	3.46	-96.16
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000402998	1	32	-2.0	-95.51	312.29	4.22	-91.29
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=C(OC)C(F)=C1	REAL300000403005	1	39	-2.0	-111.28	358.05	5.01	-106.27
COC1=CC(F)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000403006	0	35	-2.0	-109.38	336.14	4.94	-104.44
COC1=CC(F)=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000403008	1	32	-2.0	-99.27	306.19	3.67	-95.60
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000403009	1	36	-2.0	-105.93	332.17	3.61	-102.32
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000403019	1	29	-2.0	-94.71	299.87	3.59	-91.12
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1F	REAL300000403021	1	35	-2.0	-103.97	333.36	5.14	-98.83
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000403022	1	32	-2.0	-92.65	313.08	4.53	-88.12
COC1=CC(F)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000403028	0	33	-2.0	-103.41	311.75	3.00	-100.41
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1F	REAL300000403036	1	32	-2.0	-94.45	319.35	4.58	-89.87
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1F	REAL300000403038	1	35	-2.0	-103.74	329.09	5.05	-98.69
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1F	REAL300000403039	1	35	-2.0	-102.97	339.40	5.58	-97.39
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1F	REAL300000403040	1	35	-2.0	-110.19	332.65	5.15	-105.04
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1F	REAL300000403050	0	34	-2.0	-112.84	331.34	6.29	-106.55
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000403051	1	32	-2.0	-108.63	306.81	4.56	-104.07
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000403054	0	31	-2.0	-102.13	300.16	2.60	-99.53
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000403055	1	36	-2.0	-97.44	335.81	4.24	-93.20
COC1=CC(F)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000403056	1	29	-2.0	-93.36	307.72	3.41	-89.95
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2F)C=C(C(=O)[O-])O1	REAL300000403059	1	35	-2.0	-99.29	325.31	4.52	-94.77
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(Cl)C=CC=C32)=CC(C(=O)[O-])=C1	REAL300000403087	0	35	-2.0	-107.78	337.81	8.04	-99.74
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=C(Cl)C=CC=C32)=C1	REAL300000403110	0	33	-2.0	-104.94	307.84	6.15	-98.79
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CN(CC(F)(F)F)C2=O)=C1	REAL300000403160	0	35	-2.0	-112.15	332.07	3.41	-108.74
CCOC(=O)C1=CC(OC)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000403169	0	41	-2.0	-98.96	375.47	6.16	-92.80
CCOC(=O)C1=CC(OC)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000403170	0	41	-2.0	-111.51	375.50	6.14	-105.37
CCOC(=O)C1=CC(OC)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000403171	0	40	-2.0	-109.36	371.71	4.28	-105.08
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)=N1	REAL300000403172	1	37	-2.0	-106.67	348.24	4.14	-102.53
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=N1	REAL300000403173	1	37	-2.0	-96.77	343.68	4.12	-92.65
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000403174	1	37	-2.0	-109.10	343.71	4.11	-104.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC(C)=CO2)=C1	REAL300000403175	0	41	-2.0	-114.25	371.85	3.91	-110.34
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)=N1	REAL300000403176	1	41	-2.0	-96.25	375.18	5.40	-90.85
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000403177	1	40	-2.0	-110.25	359.72	4.64	-105.61
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C2)=N1	REAL300000403178	0	37	-2.0	-104.49	356.78	4.68	-99.81
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2)=N1	REAL300000403179	1	37	-2.0	-105.06	356.21	4.50	-100.56
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=C2)=N1	REAL300000403180	1	43	-2.0	-111.44	376.10	5.42	-106.02
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)=N1	REAL300000403181	0	37	-2.0	-106.08	349.19	4.17	-101.91
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2)=N1	REAL300000403182	1	43	-2.0	-95.46	387.27	5.70	-89.76
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=N1	REAL300000403183	0	34	-2.0	-103.45	336.89	3.12	-100.33
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2)=N1	REAL300000403184	1	40	-2.0	-109.59	359.14	4.89	-104.70
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2)=N1	REAL300000403185	1	41	-2.0	-94.99	374.78	4.39	-90.60
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000403186	0	38	-2.0	-107.63	350.35	3.45	-104.18
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=C2)=N1	REAL300000403188	0	37	-2.0	-99.58	352.82	3.79	-95.79
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=C2)=N1	REAL300000403189	1	43	-2.0	-111.15	374.78	5.46	-105.69
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=N1	REAL300000403190	0	34	-2.0	-104.84	335.36	3.14	-101.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC(C)=CO3)=C2)C=C1C(=O)[O-]	REAL300000403191	1	41	-2.0	-115.02	370.99	4.18	-110.84
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC(C)=CO2)=C1	REAL300000403192	1	43	-2.0	-107.91	373.85	5.82	-102.09
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C2)=N1	REAL300000403193	1	44	-2.0	-113.74	387.95	6.00	-107.74
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)=N1	REAL300000403194	0	37	-2.0	-102.87	346.72	3.24	-99.63
CC1=COC(C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC=C2)=N1	REAL300000403195	0	41	-2.0	-110.37	372.69	3.20	-107.17
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=C2)=N1	REAL300000403196	1	40	-2.0	-100.29	364.42	4.93	-95.36
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=C2)=N1	REAL300000403197	0	37	-2.0	-106.12	352.31	4.00	-102.12
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2)=N1	REAL300000403198	0	37	-2.0	-94.38	356.76	4.67	-89.71
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)=N1	REAL300000403199	1	37	-2.0	-96.33	348.22	4.15	-92.18
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=N1	REAL300000403200	0	34	-2.0	-98.44	335.98	3.24	-95.20
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000403201	1	37	-2.0	-100.05	350.11	4.18	-95.87
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=C2)=N1	REAL300000403202	0	40	-2.0	-107.44	369.47	4.81	-102.63
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)=N1	REAL300000403203	0	37	-2.0	-96.22	349.17	4.18	-92.04
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2)=N1	REAL300000403204	1	37	-2.0	-94.37	356.19	4.51	-89.86
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C2)=N1	REAL300000403205	1	37	-2.0	-98.29	354.53	4.20	-94.09
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)=N1	REAL300000403206	0	38	-2.0	-108.37	353.41	1.84	-106.53
CC1=COC(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)=N1	REAL300000403206	1	38	-2.0	-108.02	352.62	2.63	-105.39
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)=N1	REAL300000403207	1	40	-2.0	-99.96	365.87	4.89	-95.07
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)=N1	REAL300000403208	1	40	-2.0	-105.73	353.78	4.75	-100.98
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=C2)=N1	REAL300000403209	1	40	-2.0	-108.01	368.54	4.76	-103.25
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000403211	1	43	-2.0	-113.60	380.51	5.28	-108.32
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2)=N1	REAL300000403212	0	37	-2.0	-97.83	355.46	4.23	-93.60
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=C2)=N1	REAL300000403214	0	40	-2.0	-107.11	365.18	4.71	-102.40
CC1=COC(C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC=C2)=N1	REAL300000403215	0	40	-2.0	-114.43	368.74	4.80	-109.63
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC(C)=CO3)=C2)C=C1C(=O)[O-]	REAL300000403216	1	43	-2.0	-110.94	377.95	5.30	-105.64
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC(C)=CO3)=C2)C=C1C(=O)[O-]	REAL300000403217	0	41	-2.0	-108.88	371.74	4.32	-104.56
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2)=N1	REAL300000403218	1	40	-2.0	-96.92	359.71	4.65	-92.27
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=C2)=N1	REAL300000403219	1	40	-2.0	-107.05	363.66	4.93	-102.12
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)=N1	REAL300000403220	0	37	-2.0	-113.71	347.32	4.13	-109.58
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000403221	1	40	-2.0	-101.78	368.65	4.79	-96.99
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=N1	REAL300000403222	0	36	-2.0	-105.73	340.69	2.16	-103.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC(C)=CO2)=C1	REAL300000403223	0	41	-2.0	-100.98	371.91	3.90	-97.08
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)=N1	REAL300000403224	0	34	-2.0	-96.77	343.86	3.08	-93.69
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C2)=N1	REAL300000403225	1	44	-2.0	-103.08	389.83	6.00	-97.08
CC1=COC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C2)=N1	REAL300000403226	1	44	-2.0	-107.09	389.15	6.00	-101.09
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC(C)=CO3)=C2)C=C(C(=O)[O-])O1	REAL300000403227	0	40	-2.0	-102.55	365.84	4.10	-98.45
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000403228	0	37	-2.0	-84.16	354.09	2.96	-81.20
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000403229	0	30	-2.0	-99.63	302.17	4.40	-95.23
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C=C1C	REAL300000403230	0	38	-2.0	-101.49	357.25	5.46	-96.03
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000403231	1	30	-2.0	-89.97	297.62	4.38	-85.59
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000403232	0	30	-2.0	-101.83	297.64	4.36	-97.47
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C=C1C	REAL300000403233	0	34	-2.0	-107.88	325.77	4.17	-103.71
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000403234	0	34	-2.0	-90.00	329.08	5.68	-84.32
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000403235	1	33	-2.0	-102.82	313.65	4.90	-97.92
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000403236	0	30	-2.0	-98.37	310.70	4.95	-93.42
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000403237	0	30	-2.0	-97.88	310.15	4.76	-93.12
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000403238	0	30	-2.0	-94.04	323.20	5.32	-88.72
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000403239	0	36	-2.0	-105.69	330.03	5.68	-100.01
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000403240	0	30	-2.0	-99.59	303.10	4.44	-95.15
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000403241	0	36	-2.0	-89.25	341.21	5.95	-83.30
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000403242	0	27	-2.0	-96.41	290.83	3.40	-93.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C=C1C	REAL300000403243	0	33	-2.0	-103.86	313.06	5.16	-98.70
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000403244	1	34	-2.0	-88.61	328.70	4.65	-83.96
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000403245	0	31	-2.0	-100.26	304.28	3.73	-96.53
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000403246	1	34	-2.0	-104.36	321.83	3.20	-101.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)=C1	REAL300000403247	0	30	-2.0	-92.56	306.77	4.05	-88.51
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000403248	1	36	-2.0	-105.01	329.08	5.69	-99.32
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000403249	0	27	-2.0	-97.88	289.28	3.41	-94.47
COC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)=CC(C(=O)[O-])=C1OC	REAL300000403250	0	38	-2.0	-102.18	355.96	4.19	-97.99
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000403251	1	34	-2.0	-107.68	324.92	4.44	-103.24
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000403252	0	40	-2.0	-107.37	352.87	7.01	-100.36
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000403253	0	39	-2.0	-105.99	351.53	6.37	-99.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C=C1C	REAL300000403254	0	36	-2.0	-102.55	327.71	6.09	-96.46
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Cl)C=C1C	REAL300000403255	0	37	-2.0	-107.35	348.06	4.93	-102.42
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000403256	0	32	-3.0	-175.06	326.04	4.95	-170.11
CC1=CC(Cl)=NC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000403256	1	33	-2.0	-110.58	324.70	4.87	-105.71
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000403257	0	37	-2.0	-107.74	341.88	6.28	-101.46
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)C=C(C(=O)[O-])O1	REAL300000403258	0	30	-2.0	-96.86	300.64	3.52	-93.34
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000403259	0	36	-2.0	-106.50	339.80	4.16	-102.34
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)=C1	REAL300000403260	0	34	-2.0	-101.60	326.55	3.46	-98.14
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000403261	1	38	-2.0	-89.05	350.56	4.97	-84.08
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000403262	0	30	-2.0	-91.75	325.31	5.21	-86.54
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000403263	0	30	-2.0	-95.30	315.23	4.96	-90.34
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000403264	0	34	-2.0	-87.33	344.74	5.19	-82.14
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000403265	1	37	-2.0	-89.02	348.80	5.35	-83.67
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000403266	0	33	-2.0	-94.51	318.34	5.19	-89.32
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000403267	1	43	-2.0	-89.41	391.24	6.28	-83.13
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000403268	0	34	-2.0	-88.30	334.93	4.71	-83.59
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000403269	1	37	-2.0	-108.26	346.77	5.36	-102.90
CC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)C=C(C(=O)[O-])S1	REAL300000403270	0	30	-2.0	-100.41	306.26	4.26	-96.15
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000403271	0	30	-2.0	-92.07	325.86	5.39	-86.68
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000403272	0	30	-2.0	-87.59	310.68	4.93	-82.66
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000403273	0	30	-2.0	-89.60	302.17	4.41	-85.19
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000403274	0	27	-2.0	-91.44	289.89	3.49	-87.95
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000403275	0	30	-2.0	-92.93	304.04	4.43	-88.50
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000403276	0	33	-2.0	-100.92	323.39	5.08	-95.84
COC1=CC(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000403277	0	34	-2.0	-92.12	337.94	5.00	-87.12
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000403278	0	30	-2.0	-89.07	303.09	4.44	-84.63
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000403279	0	30	-2.0	-87.58	310.14	4.77	-82.81
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000403280	0	33	-2.0	-96.16	327.08	5.58	-90.58
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000403281	0	38	-2.0	-87.04	361.38	5.79	-81.25
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000403282	0	30	-2.0	-91.46	308.45	4.48	-86.98
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000403283	0	32	-2.0	-87.32	325.82	5.03	-82.29
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000403284	0	31	-2.0	-103.15	307.35	2.09	-101.06
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000403285	0	33	-2.0	-93.84	319.81	5.15	-88.69
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000403286	0	30	-2.0	-92.74	318.34	4.90	-87.84
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000403287	0	33	-2.0	-97.37	307.67	5.01	-92.36
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000403288	0	33	-2.0	-100.83	322.47	5.01	-95.82
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000403289	1	33	-2.0	-90.46	313.04	5.16	-85.30
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000403290	1	36	-2.0	-106.00	335.13	5.56	-100.44
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000403291	0	32	-2.0	-100.76	324.19	5.46	-95.30
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000403292	0	30	-2.0	-91.30	309.36	4.50	-86.80
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)C(C)=C1C(=O)[O-]	REAL300000403293	1	36	-2.0	-101.57	332.11	5.76	-95.81
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000403294	0	33	-2.0	-101.79	322.95	5.06	-96.73
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000403295	0	33	-2.0	-99.97	329.39	5.51	-94.46
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)=C1	REAL300000403296	0	33	-2.0	-105.43	322.67	5.05	-100.38
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000403297	0	36	-2.0	-103.53	331.95	5.55	-97.98
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)C=C1CC(=O)[O-]	REAL300000403298	1	37	-2.0	-103.29	348.10	4.49	-98.80
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000403299	0	33	-2.0	-91.08	323.90	5.55	-85.53
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000403300	0	33	-2.0	-86.70	327.76	5.17	-81.53
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000403301	0	33	-2.0	-99.45	328.87	5.32	-94.13
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000403302	0	34	-2.0	-101.42	325.64	4.59	-96.83
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000403303	1	42	-2.0	-101.02	362.78	7.24	-93.78
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000403304	0	30	-2.0	-90.19	323.23	4.94	-85.25
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000403305	0	33	-2.0	-96.43	331.41	5.43	-91.00
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000403306	0	39	-2.0	-99.86	347.52	6.48	-93.38
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000403307	0	34	-2.0	-103.84	337.96	5.01	-98.83
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000403308	1	33	-2.0	-89.95	313.64	4.92	-85.03
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000403309	0	35	-2.0	-94.53	340.88	6.57	-87.96
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000403310	1	33	-2.0	-101.80	317.16	5.20	-96.60
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000403311	0	32	-2.0	-108.03	321.36	6.22	-101.81
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000403312	0	30	-2.0	-104.78	301.27	4.39	-100.39
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000403313	0	33	-2.0	-94.67	322.59	5.04	-89.63
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000403314	0	36	-2.0	-109.74	338.66	6.49	-103.25
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000403315	0	29	-2.0	-99.43	293.84	2.50	-96.93
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(Cl)C=C1C	REAL300000403316	0	34	-2.0	-93.90	325.83	4.18	-89.72
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000403317	0	27	-2.0	-90.40	297.74	3.35	-87.05
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000403318	0	37	-2.0	-96.80	343.76	6.25	-90.55
CC1=CC(Cl)=NC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000403319	0	37	-2.0	-97.85	341.72	6.23	-91.62
CCC1=C(S(=O)(=O)[N-]C2=CN=C(Cl)C=C2C)C=C(C(=O)[O-])O1	REAL300000403320	0	33	-2.0	-96.85	319.76	4.37	-92.48
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1	REAL300000403321	1	40	-2.0	-87.30	358.11	2.89	-84.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC=C1F	REAL300000403322	1	33	-2.0	-103.31	306.18	4.33	-98.98
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCC2=C1	REAL300000403323	0	41	-2.0	-104.92	361.27	5.39	-99.53
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403324	0	33	-2.0	-101.04	318.07	5.01	-96.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1	REAL300000403325	1	33	-2.0	-93.62	301.63	4.31	-89.31
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403326	1	33	-2.0	-106.23	301.65	4.30	-101.93
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCC2=C1	REAL300000403327	0	37	-2.0	-111.65	329.79	4.10	-107.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC=C1Br	REAL300000403328	1	33	-2.0	-101.28	317.89	4.79	-96.49
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1	REAL300000403329	1	37	-2.0	-93.35	333.10	5.60	-87.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1C(=O)[O-]	REAL300000403330	1	36	-2.0	-108.66	321.72	4.95	-103.71
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403331	0	33	-2.0	-101.74	314.72	4.88	-96.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC=C1Cl	REAL300000403332	1	33	-2.0	-101.65	314.16	4.70	-96.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C(Cl)C=C1Cl	REAL300000403333	0	33	-2.0	-97.36	327.22	5.25	-92.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1C	REAL300000403334	1	39	-2.0	-109.30	334.32	5.65	-103.65
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403335	0	33	-2.0	-103.38	307.13	4.37	-99.01
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1	REAL300000403336	1	39	-2.0	-92.62	345.22	5.89	-86.73
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403337	0	30	-2.0	-100.43	294.83	3.32	-97.11
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCC2=C1	REAL300000403338	1	36	-2.0	-107.11	317.09	5.09	-102.02
CN1C=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1C(=O)[O-]	REAL300000403340	0	34	-2.0	-104.57	308.29	3.65	-100.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403342	0	33	-2.0	-96.39	310.76	3.98	-92.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CS1	REAL300000403344	0	30	-2.0	-101.58	293.30	3.34	-98.24
COC1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000403345	1	41	-2.0	-106.11	359.96	4.11	-102.00
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403347	1	43	-2.0	-111.09	356.89	6.93	-104.16
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCC2=C1	REAL300000403348	1	42	-2.0	-109.41	355.55	6.30	-103.11
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCC2=C1	REAL300000403349	1	39	-2.0	-105.47	331.79	6.03	-99.44
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCC2=C1	REAL300000403350	0	40	-2.0	-111.42	352.08	4.86	-106.56
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3COCC3=C2)=CC(C(=O)[O-])=C1	REAL300000403351	0	36	-2.0	-110.63	336.76	4.72	-105.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC(C(=O)[O-])=C1	REAL300000403351	1	35	-3.0	-180.84	330.07	4.87	-175.97
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403352	1	40	-2.0	-111.36	345.90	6.20	-105.16
CC1=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C(C(=O)[O-])O1	REAL300000403353	0	33	-2.0	-100.09	304.66	3.44	-96.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC2=C1OCCO2	REAL300000403354	1	39	-2.0	-110.92	343.82	4.08	-106.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403355	0	37	-2.0	-106.93	330.57	3.39	-103.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC(Cl)=C1Cl	REAL300000403357	1	33	-2.0	-95.43	329.34	5.15	-90.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C(Cl)C=C1F	REAL300000403358	0	33	-2.0	-98.43	319.24	4.90	-93.53
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1Cl	REAL300000403359	1	37	-2.0	-90.60	348.75	5.13	-85.47
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1F	REAL300000403361	1	43	-2.0	-91.34	381.39	5.56	-85.78
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCC2=C1	REAL300000403362	1	36	-2.0	-97.59	322.36	5.12	-92.47
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1F	REAL300000403364	1	37	-2.0	-91.58	338.94	4.65	-86.93
CC1=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C(C(=O)[O-])S1	REAL300000403366	1	33	-2.0	-103.36	311.35	4.19	-99.17
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403367	0	33	-2.0	-95.46	329.87	5.32	-90.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C(Cl)=C1	REAL300000403368	0	33	-2.0	-91.14	314.71	4.86	-86.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C(Br)=C1	REAL300000403369	0	33	-2.0	-90.63	318.06	5.01	-85.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1F	REAL300000403370	1	33	-2.0	-93.11	306.16	4.34	-88.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)S1	REAL300000403371	0	30	-2.0	-95.18	293.92	3.43	-91.75
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403372	1	33	-2.0	-97.00	308.05	4.37	-92.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1F	REAL300000403373	0	36	-2.0	-104.81	327.42	5.01	-99.80
COC1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000403374	0	37	-2.0	-95.76	341.96	4.92	-90.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C(F)=C1	REAL300000403375	0	33	-2.0	-92.97	307.10	4.37	-88.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1Cl	REAL300000403376	1	33	-2.0	-91.13	314.16	4.71	-86.42
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCC2=C1	REAL300000403377	1	36	-2.0	-99.36	331.09	5.51	-93.85
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1	REAL300000403378	1	41	-2.0	-90.19	365.38	5.71	-84.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1Br	REAL300000403379	1	33	-2.0	-90.75	317.87	4.80	-85.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC(F)=C1F	REAL300000403380	1	33	-2.0	-94.85	312.48	4.40	-90.45
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403381	0	35	-2.0	-91.13	329.85	4.96	-86.17
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403382	0	34	-2.0	-105.99	311.36	2.02	-103.97
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3COCC3=C2)=C1	REAL300000403382	1	34	-2.0	-105.18	310.58	2.81	-102.37
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1	REAL300000403383	1	36	-2.0	-97.22	323.82	5.09	-92.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC(Cl)=C1F	REAL300000403384	1	33	-2.0	-96.33	322.37	4.83	-91.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2COCC2=C1	REAL300000403385	1	36	-2.0	-102.03	311.72	4.94	-97.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC(C(=O)[O-])=C1F	REAL300000403386	1	36	-2.0	-104.98	326.50	4.95	-100.03
CC1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC(C(=O)[O-])=C1C	REAL300000403388	1	39	-2.0	-110.55	339.15	5.50	-105.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000403389	0	35	-2.0	-104.14	328.21	5.39	-98.75
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403390	0	33	-2.0	-95.00	313.41	4.43	-90.57
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1C(=O)[O-]	REAL300000403392	0	36	-2.0	-105.70	326.96	4.99	-100.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1Cl	REAL300000403393	0	36	-2.0	-103.50	333.39	5.44	-98.06
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403394	0	36	-2.0	-110.65	326.69	4.99	-105.66
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1C(=O)[O-]	REAL300000403395	1	39	-2.0	-107.72	335.89	5.49	-102.23
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2COCC2=C1	REAL300000403397	1	36	-2.0	-95.34	327.91	5.48	-89.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1C(F)(F)F	REAL300000403398	1	36	-2.0	-90.23	331.76	5.11	-85.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000403399	1	36	-2.0	-103.80	332.89	5.26	-98.54
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403400	1	33	-2.0	-98.84	322.94	4.92	-93.92
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1C(=O)[O-]	REAL300000403401	0	37	-2.0	-105.91	329.68	4.51	-101.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C(F)C(Cl)=C1F	REAL300000403403	0	33	-2.0	-93.69	327.25	4.86	-88.83
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1C(=O)[O-]	REAL300000403404	1	36	-2.0	-100.31	335.39	5.37	-94.94
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C(C(=O)[O-])S1	REAL300000403405	0	42	-2.0	-103.24	351.08	6.44	-96.80
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1C(=O)[O-]	REAL300000403406	0	37	-2.0	-107.29	341.97	4.93	-102.36
CC1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC=C1C(=O)[O-]	REAL300000403407	1	36	-2.0	-93.72	317.66	4.85	-88.87
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C([N+](=O)[O-])=C1	REAL300000403408	0	38	-2.0	-98.78	344.92	6.50	-92.28
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1[N+](=O)[O-]	REAL300000403410	0	35	-2.0	-112.98	325.39	6.15	-106.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1F	REAL300000403411	0	33	-2.0	-109.88	305.31	4.34	-105.54
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C1C(=O)[O-]	REAL300000403412	1	36	-2.0	-98.51	326.59	4.98	-93.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=CC2=CC=CC=C21	REAL300000403413	1	39	-2.0	-114.10	342.69	6.42	-107.68
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C1	REAL300000403414	0	32	-2.0	-103.80	297.87	2.44	-101.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2COCC2=C1	REAL300000403415	0	37	-2.0	-97.90	329.85	4.10	-93.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)=C(Cl)O1	REAL300000403416	0	30	-2.0	-93.82	301.80	3.28	-90.54
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4COCC4=C3)C=C2)CC1	REAL300000403417	1	40	-2.0	-100.37	347.78	6.19	-94.18
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4COCC4=C3)C=C2C1	REAL300000403418	1	40	-2.0	-103.86	347.09	6.18	-97.68
CCC1=C(S(=O)(=O)[N-]C2=CC=C3COCC3=C2)C=C(C(=O)[O-])O1	REAL300000403419	0	36	-2.0	-100.00	323.78	4.29	-95.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=CC=C1F	REAL300000403420	0	34	-2.0	-103.85	338.24	6.00	-97.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1	REAL300000403421	0	34	-2.0	-93.92	333.69	5.98	-87.94
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000403422	0	34	-2.0	-106.18	333.70	5.97	-100.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2=CC=CC=C2)S1	REAL300000403423	0	38	-2.0	-111.13	361.84	5.78	-105.35
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1	REAL300000403424	0	38	-2.0	-93.86	365.15	7.27	-86.59
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1C(=O)[O-]	REAL300000403425	0	37	-2.0	-107.20	349.71	6.51	-100.69
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000403426	0	34	-2.0	-101.66	346.77	6.55	-95.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=CC=C1Cl	REAL300000403427	0	34	-2.0	-102.07	346.22	6.37	-95.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C1C	REAL300000403428	0	40	-2.0	-108.84	366.37	7.33	-101.51
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000403429	0	34	-2.0	-103.10	339.16	6.04	-97.06
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1	REAL300000403430	0	40	-2.0	-92.99	377.27	7.56	-85.43
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000403431	0	31	-2.0	-100.41	326.88	4.99	-95.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2=CC=CC=C2)S1	REAL300000403432	0	37	-2.0	-106.95	349.14	6.76	-100.19
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1	REAL300000403433	0	38	-2.0	-92.51	364.76	6.26	-86.25
CN1C=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1C(=O)[O-]	REAL300000403434	0	35	-2.0	-104.41	340.35	5.32	-99.09
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2=CC=CC=C2)S1	REAL300000403435	0	38	-2.0	-107.61	357.48	4.82	-102.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000403436	0	34	-2.0	-96.57	342.81	5.66	-90.91
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1C(=O)[O-]	REAL300000403437	0	40	-2.0	-107.99	365.15	7.29	-100.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=CS1	REAL300000403438	0	31	-2.0	-101.96	325.35	5.01	-96.95
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1C(=O)[O-]	REAL300000403439	0	38	-2.0	-112.01	360.99	6.04	-105.97
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2=CC=CC=C2)S1	REAL300000403440	0	40	-2.0	-105.56	363.84	7.71	-97.85
CC1=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C(C(=O)[O-])O1	REAL300000403441	0	34	-2.0	-99.81	336.71	5.11	-94.70
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000403442	0	38	-2.0	-107.51	362.69	5.06	-102.45
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2=CC=CC=C2)S1	REAL300000403443	0	37	-2.0	-97.52	354.41	6.79	-90.73
CC1=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C(C(=O)[O-])S1	REAL300000403444	0	34	-2.0	-103.34	342.32	5.87	-97.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C(Cl)=C1	REAL300000403445	0	34	-2.0	-91.69	346.75	6.54	-85.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1F	REAL300000403446	0	34	-2.0	-93.49	338.22	6.01	-87.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)S1	REAL300000403447	0	31	-2.0	-95.41	325.96	5.10	-90.31
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000403448	0	34	-2.0	-97.03	340.10	6.04	-90.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C1F	REAL300000403449	0	37	-2.0	-104.32	359.44	6.67	-97.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C(F)=C1	REAL300000403450	0	34	-2.0	-93.27	339.16	6.05	-87.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1Cl	REAL300000403451	0	34	-2.0	-91.49	346.20	6.38	-85.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=CC(F)=C1F	REAL300000403452	0	34	-2.0	-95.39	344.52	6.07	-89.32
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000403453	0	35	-2.0	-105.66	343.41	3.69	-101.97
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1	REAL300000403454	0	37	-2.0	-97.09	355.87	6.76	-90.33
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C(C2=CC=CC=C2)S1	REAL300000403455	0	37	-2.0	-102.86	343.74	6.60	-96.26
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=CC(C(=O)[O-])=C1F	REAL300000403456	0	37	-2.0	-105.04	358.53	6.63	-98.41
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C2=CC=CC=C2)S1	REAL300000403457	0	37	-2.0	-94.20	349.11	6.75	-87.45
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=CC(C(=O)[O-])=C1C	REAL300000403458	0	40	-2.0	-108.92	366.57	7.04	-101.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000403459	0	34	-2.0	-94.84	345.43	6.10	-88.74
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C(C)=C1C(=O)[O-]	REAL300000403460	0	40	-2.0	-107.05	368.18	7.36	-99.69
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1C(=O)[O-]	REAL300000403461	0	37	-2.0	-104.01	355.17	6.57	-97.44
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000403462	0	37	-2.0	-111.28	358.73	6.67	-104.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1C(=O)[O-]	REAL300000403463	0	40	-2.0	-107.86	368.02	7.16	-100.70
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1C(=O)[O-]	REAL300000403464	0	38	-2.0	-105.63	361.73	6.19	-99.44
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=CC=C1C(=O)[O-]	REAL300000403465	0	37	-2.0	-93.90	349.70	6.52	-87.38
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C2=CC=CC=C2)S1	REAL300000403466	0	37	-2.0	-104.75	353.23	6.82	-97.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C1F	REAL300000403467	0	34	-2.0	-110.71	337.34	6.00	-104.71
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C1C(=O)[O-]	REAL300000403468	0	37	-2.0	-97.68	354.86	6.55	-91.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000403469	0	33	-2.0	-102.73	330.68	4.04	-98.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C2=CC=CC=C2)S1	REAL300000403470	0	38	-2.0	-97.90	361.90	5.78	-92.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)=C(Cl)O1	REAL300000403471	0	31	-2.0	-93.80	333.80	4.95	-88.85
CCC1=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=CC=C3)S2)C=C(C(=O)[O-])O1	REAL300000403472	0	37	-2.0	-99.66	355.82	5.97	-93.69
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000403473	1	38	-2.0	-117.72	343.10	3.45	-114.27
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000403475	1	38	-2.0	-120.49	338.55	3.42	-117.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCN2C(N)=O	REAL300000403476	0	42	-2.0	-127.13	366.70	3.22	-123.91
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C21	REAL300000403477	1	42	-2.0	-107.20	370.02	4.72	-102.48
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C21	REAL300000403479	0	38	-2.0	-116.88	351.63	4.00	-112.88
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000403480	1	38	-2.0	-116.23	351.08	3.81	-112.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCN3C(N)=O)=C1C	REAL300000403481	1	44	-2.0	-124.62	371.23	4.77	-119.85
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C21	REAL300000403482	0	38	-2.0	-118.49	344.03	3.49	-115.00
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300000403483	1	44	-2.0	-106.74	382.12	5.01	-101.73
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000403484	0	35	-2.0	-114.50	331.75	2.44	-112.06
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCN2C(N)=O	REAL300000403485	1	41	-2.0	-122.49	354.00	4.21	-118.28
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCN3C(N)=O)C=C1C(=O)[O-]	REAL300000403487	1	39	-2.0	-118.67	345.20	2.77	-115.90
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCN3C(N)=O)=C1	REAL300000403489	0	38	-2.0	-110.48	347.67	3.10	-107.38
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000403491	0	35	-2.0	-116.11	330.21	2.46	-113.65
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCN2C(N)=O	REAL300000403493	1	44	-2.0	-121.06	368.73	5.15	-115.91
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCN3C(N)=O)C=C(C(=O)[O-])O1	REAL300000403494	0	38	-2.0	-114.65	341.57	2.56	-112.09
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCN3C(N)=O)=C1	REAL300000403495	0	42	-2.0	-120.63	367.48	2.51	-118.12
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCN2C(N)=O	REAL300000403496	1	41	-2.0	-112.47	359.27	4.24	-108.23
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCN3C(N)=O)C=C(C(=O)[O-])S1	REAL300000403497	1	38	-2.0	-118.39	348.25	3.31	-115.08
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C21	REAL300000403498	0	38	-2.0	-104.98	351.62	3.99	-100.99
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000403499	1	38	-2.0	-106.77	343.09	3.46	-103.31
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000403500	0	35	-2.0	-109.24	330.83	2.55	-106.69
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000403501	1	38	-2.0	-111.02	344.96	3.49	-107.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCN3C(N)=O)=C1F	REAL300000403502	0	41	-2.0	-119.96	364.33	4.13	-115.83
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300000403503	0	38	-2.0	-106.80	344.01	3.50	-103.30
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000403504	1	38	-2.0	-104.98	351.06	3.83	-101.15
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000403505	1	38	-2.0	-108.99	349.39	3.52	-105.47
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C21	REAL300000403506	0	39	-2.0	-121.74	348.28	1.14	-120.60
NC(=O)N1CCC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C21	REAL300000403506	1	39	-2.0	-117.97	347.45	1.93	-116.04
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C21	REAL300000403507	1	41	-2.0	-111.29	360.74	4.20	-107.09
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCN2C(N)=O	REAL300000403508	1	41	-2.0	-115.92	348.61	4.06	-111.86
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCN3C(N)=O)=CC(C(=O)[O-])=C1F	REAL300000403509	1	41	-2.0	-118.99	363.40	4.08	-114.91
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C21	REAL300000403512	0	38	-2.0	-109.58	350.32	3.55	-106.03
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCN3C(N)=O)C=C1C(=O)[O-]	REAL300000403514	0	41	-2.0	-121.16	363.74	4.13	-117.03
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCN3C(N)=O)=C1	REAL300000403515	0	41	-2.0	-124.53	363.59	4.12	-120.41
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCN3C(N)=O)C=C1C(=O)[O-]	REAL300000403517	1	42	-2.0	-120.02	366.57	3.64	-116.38
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000403520	0	38	-2.0	-123.78	342.22	3.45	-120.33
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCN3C(N)=O)C=C1C(=O)[O-]	REAL300000403521	1	41	-2.0	-113.05	363.68	4.09	-108.96
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000403522	0	37	-2.0	-118.10	334.77	1.54	-116.56
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCN2C(N)=O	REAL300000403523	0	42	-2.0	-112.10	366.76	3.22	-108.88
NC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C21	REAL300000403524	0	35	-2.0	-108.03	338.71	2.40	-105.63
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCN3C(N)=O)C=C(C(=O)[O-])O1	REAL300000403525	0	41	-2.0	-114.70	360.69	3.41	-111.29
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000403526	0	34	-2.0	-110.42	324.43	5.00	-105.42
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C21	REAL300000403527	0	34	-2.0	-100.79	319.90	4.98	-95.81
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000403528	0	34	-2.0	-112.71	319.90	4.97	-107.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2C	REAL300000403529	0	38	-2.0	-116.29	348.04	4.76	-111.53
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=CC=C21	REAL300000403530	0	38	-2.0	-99.68	351.37	6.26	-93.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C=C1C(=O)[O-]	REAL300000403531	0	37	-2.0	-113.83	335.93	5.49	-108.34
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=CC=C21	REAL300000403532	0	34	-2.0	-106.85	332.97	5.53	-101.32
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C21	REAL300000403533	0	34	-2.0	-108.68	332.40	5.36	-103.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)=C1C	REAL300000403534	0	40	-2.0	-113.49	352.29	6.27	-107.22
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=CC=C21	REAL300000403535	0	34	-2.0	-108.76	325.36	5.02	-103.74
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=CC=C21	REAL300000403536	0	40	-2.0	-98.55	363.48	6.55	-92.00
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C21	REAL300000403537	0	31	-2.0	-107.31	313.09	3.98	-103.33
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2C	REAL300000403538	0	37	-2.0	-111.67	335.33	5.74	-105.93
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=CC=C21	REAL300000403539	0	38	-2.0	-98.44	350.99	5.25	-93.19
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C=C1C(=O)[O-]	REAL300000403540	0	35	-2.0	-111.31	326.56	4.31	-107.00
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2C	REAL300000403541	0	38	-2.0	-112.22	343.68	3.80	-108.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)=C1	REAL300000403542	0	34	-2.0	-103.67	329.01	4.64	-99.03
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C=C1C(=O)[O-]	REAL300000403543	0	40	-2.0	-114.20	355.35	6.38	-107.82
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C21	REAL300000403544	0	31	-2.0	-108.65	311.55	4.00	-104.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C=C1C(=O)[O-]	REAL300000403545	0	38	-2.0	-118.61	347.20	5.04	-113.57
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2C	REAL300000403546	0	43	-2.0	-113.63	373.80	6.97	-106.66
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2C	REAL300000403547	0	40	-2.0	-109.42	350.02	6.69	-102.73
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2C	REAL300000403548	0	41	-2.0	-115.14	370.33	5.52	-109.62
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000403549	0	36	-3.0	-190.08	348.30	5.53	-184.55
CN1C(=O)OC2=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000403549	1	37	-2.0	-112.01	348.66	5.44	-106.57
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=CC=C21	REAL300000403550	0	41	-2.0	-115.91	364.14	6.86	-109.05
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C=C(C(=O)[O-])O1	REAL300000403551	0	34	-2.0	-105.86	322.90	4.10	-101.76
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)=C1	REAL300000403552	0	38	-2.0	-115.97	348.82	4.05	-111.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)=CC=C1OCC(=O)[O-]	REAL300000403553	0	41	-2.0	-98.94	371.07	5.96	-92.98
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2C	REAL300000403554	0	37	-2.0	-103.27	340.19	5.79	-97.48
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=CC=C21	REAL300000403555	0	38	-2.0	-98.12	357.20	5.31	-92.81
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C=C1C(=O)[O-]	REAL300000403556	0	41	-2.0	-119.27	369.03	5.93	-113.34
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C=C(C(=O)[O-])S1	REAL300000403557	0	34	-2.0	-108.43	329.59	4.84	-103.59
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=CC=C21	REAL300000403558	0	34	-2.0	-98.34	332.95	5.53	-92.81
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C21	REAL300000403559	0	34	-2.0	-100.41	324.42	5.00	-95.41
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C21	REAL300000403560	0	31	-2.0	-102.49	312.16	4.08	-98.41
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000403561	0	34	-2.0	-103.81	326.30	5.03	-98.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)=C1F	REAL300000403562	0	37	-2.0	-110.21	345.65	5.65	-104.56
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=CC=C21	REAL300000403563	0	34	-2.0	-100.50	325.35	5.04	-95.46
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C21	REAL300000403564	0	34	-2.0	-98.39	332.39	5.36	-93.03
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2C	REAL300000403565	0	37	-2.0	-104.79	348.93	6.18	-98.61
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000403566	0	34	-2.0	-102.21	330.71	5.06	-97.15
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=CC=C21	REAL300000403567	0	36	-2.0	-98.19	348.08	5.64	-92.55
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=CC=C21	REAL300000403568	0	35	-2.0	-109.92	329.61	2.67	-107.25
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=CC=C21	REAL300000403569	0	37	-2.0	-102.75	342.09	5.74	-97.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2C	REAL300000403570	0	37	-2.0	-110.47	329.94	5.60	-104.87
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)=CC(C(=O)[O-])=C1F	REAL300000403571	0	37	-2.0	-111.77	344.75	5.61	-106.16
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2C	REAL300000403572	0	37	-2.0	-100.53	335.31	5.74	-94.79
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)=CC(C(=O)[O-])=C1C	REAL300000403573	0	40	-2.0	-117.23	356.75	6.14	-111.09
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=CC=C21	REAL300000403574	0	36	-2.0	-111.74	346.47	6.07	-105.67
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=CC=C21	REAL300000403575	0	34	-2.0	-101.12	331.63	5.09	-96.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C(C)=C1C(=O)[O-]	REAL300000403576	0	40	-2.0	-115.02	353.43	6.36	-108.66
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C=C1C(=O)[O-]	REAL300000403577	0	37	-2.0	-111.05	345.21	5.65	-105.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)=C1Cl	REAL300000403578	0	37	-2.0	-108.58	351.66	6.10	-102.48
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)=C1	REAL300000403579	0	37	-2.0	-119.49	344.93	5.64	-113.85
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C=C1C(=O)[O-]	REAL300000403580	0	40	-2.0	-114.54	354.23	6.16	-108.38
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C=C1CC(=O)[O-]	REAL300000403581	0	41	-2.0	-117.04	370.39	5.10	-111.94
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2C	REAL300000403582	0	37	-2.0	-103.53	346.16	6.15	-97.38
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)=CC(C(=O)[O-])=C1Cl	REAL300000403583	0	37	-2.0	-110.46	351.14	5.93	-104.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C=C1C(=O)[O-]	REAL300000403584	0	38	-2.0	-112.60	347.92	5.17	-107.43
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C=C1C(=O)[O-]	REAL300000403585	0	37	-2.0	-107.39	353.68	6.03	-101.36
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)=CC=C1C(=O)[O-]	REAL300000403586	0	37	-2.0	-102.60	339.98	5.62	-96.98
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2C	REAL300000403587	0	37	-2.0	-109.54	339.43	5.80	-103.74
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=CC=C21	REAL300000403588	0	36	-2.0	-122.04	343.64	6.80	-115.24
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=CC=C21	REAL300000403589	0	34	-2.0	-118.73	323.52	4.98	-113.75
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C=C1C(=O)[O-]	REAL300000403590	0	37	-2.0	-105.64	344.87	5.64	-100.00
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=CC=C21	REAL300000403591	0	40	-2.0	-121.08	360.95	7.09	-113.99
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C21	REAL300000403592	0	33	-2.0	-108.02	316.89	3.01	-105.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2C	REAL300000403593	0	38	-2.0	-104.63	348.09	4.77	-99.86
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=CC=C21	REAL300000403594	0	31	-2.0	-100.41	320.00	3.93	-96.48
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=CC=C21	REAL300000403595	0	41	-2.0	-105.97	365.58	6.85	-99.12
CN1C(=O)OC2=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=CC=C21	REAL300000403596	0	41	-2.0	-111.69	363.98	6.83	-104.86
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3C)C=C(C(=O)[O-])O1	REAL300000403597	0	37	-2.0	-105.34	342.03	4.96	-100.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CC=C1F	REAL300000403598	1	36	-2.0	-112.96	329.78	3.50	-109.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1	REAL300000403599	1	36	-2.0	-103.37	325.22	3.48	-99.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000403600	1	36	-2.0	-115.58	325.25	3.47	-112.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCNC(=O)C2=C1	REAL300000403601	0	40	-2.0	-120.03	353.39	3.27	-116.76
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1	REAL300000403602	1	40	-2.0	-102.50	356.71	4.76	-97.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000403603	1	39	-2.0	-118.23	345.31	4.12	-114.11
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000403604	0	36	-2.0	-110.26	338.32	4.04	-106.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CC=C1Cl	REAL300000403605	1	36	-2.0	-111.42	337.75	3.86	-107.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1C	REAL300000403606	1	42	-2.0	-117.24	357.93	4.82	-112.42
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000403607	0	36	-2.0	-112.19	330.72	3.53	-108.66
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1	REAL300000403608	1	42	-2.0	-101.51	368.81	5.06	-96.45
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000403609	0	33	-2.0	-109.95	318.44	2.48	-107.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCNC(=O)C2=C1	REAL300000403610	1	39	-2.0	-115.11	340.68	4.26	-110.85
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1	REAL300000403611	1	40	-2.0	-101.25	356.31	3.75	-97.50
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000403612	0	37	-2.0	-114.19	331.89	2.81	-111.38
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000403614	0	36	-2.0	-106.49	334.36	3.15	-103.34
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000403615	1	42	-2.0	-116.76	356.32	4.82	-111.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CS1	REAL300000403616	0	33	-2.0	-111.38	316.90	2.50	-108.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000403617	1	40	-2.0	-121.41	352.52	3.54	-117.87
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCNC(=O)C2=C1	REAL300000403618	1	45	-2.0	-117.24	379.15	5.48	-111.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCNC(=O)C2=C1	REAL300000403619	1	42	-2.0	-113.03	355.37	5.20	-107.83
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCNC(=O)C2=C1	REAL300000403620	0	43	-2.0	-119.33	375.68	4.03	-115.30
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3CCNC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000403621	0	39	-2.0	-117.20	356.13	4.04	-113.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000403621	1	38	-3.0	-192.93	353.65	4.03	-188.90
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000403622	1	43	-2.0	-119.44	369.49	5.37	-114.07
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000403623	0	36	-2.0	-108.68	328.26	2.61	-106.07
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000403624	0	40	-2.0	-117.76	354.26	2.56	-115.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C(Cl)C=C1F	REAL300000403625	0	36	-2.0	-106.84	342.85	4.06	-102.78
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CC=C1OCC(=O)[O-]	REAL300000403626	1	43	-2.0	-101.74	376.40	4.46	-97.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCNC(=O)C2=C1	REAL300000403627	1	39	-2.0	-105.98	345.96	4.29	-101.69
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1F	REAL300000403628	1	40	-2.0	-100.64	362.54	3.82	-96.82
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000403629	1	43	-2.0	-122.74	374.38	4.44	-118.30
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000403630	0	36	-2.0	-111.73	333.85	3.36	-108.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C(Cl)=C1	REAL300000403631	0	36	-2.0	-100.94	338.29	4.03	-96.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1F	REAL300000403632	1	36	-2.0	-102.83	329.76	3.51	-99.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)S1	REAL300000403633	0	33	-2.0	-105.20	317.52	2.60	-102.60
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000403634	1	36	-2.0	-106.47	331.65	3.54	-102.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1F	REAL300000403635	0	39	-2.0	-113.67	351.02	4.17	-109.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C(F)=C1	REAL300000403636	0	36	-2.0	-103.12	330.70	3.54	-99.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1Cl	REAL300000403637	1	36	-2.0	-100.91	337.73	3.87	-97.04
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCNC(=O)C2=C1	REAL300000403638	1	39	-2.0	-107.52	354.69	4.68	-102.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CC(F)=C1F	REAL300000403639	1	36	-2.0	-105.07	336.06	3.56	-101.51
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000403640	0	38	-2.0	-100.70	353.44	4.14	-96.56
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000403641	0	37	-2.0	-113.65	334.97	1.18	-112.47
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000403641	1	37	-2.0	-112.26	323.99	2.07	-110.19
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1	REAL300000403642	1	39	-2.0	-105.97	347.41	4.25	-101.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CC(Cl)=C1F	REAL300000403643	1	36	-2.0	-106.50	345.95	4.00	-102.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CCNC(=O)C2=C1	REAL300000403644	1	39	-2.0	-113.43	335.31	4.11	-109.32
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000403645	1	39	-2.0	-114.42	350.08	4.12	-110.30
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCNC(=O)C2=C1	REAL300000403646	1	39	-2.0	-103.18	340.66	4.25	-98.93
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000403647	1	42	-2.0	-120.97	362.05	4.64	-116.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CC=C1[N+](=O)[O-]	REAL300000403648	0	38	-2.0	-113.78	351.80	4.57	-109.21
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000403649	0	36	-2.0	-104.12	337.03	3.60	-100.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000403650	1	42	-2.0	-117.86	358.63	4.88	-112.98
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000403651	0	39	-2.0	-114.54	350.56	4.17	-110.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1Cl	REAL300000403652	0	39	-2.0	-112.05	356.99	4.61	-107.44
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000403653	0	39	-2.0	-122.65	350.28	4.16	-118.49
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000403654	1	42	-2.0	-117.54	359.18	4.66	-112.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1CC(=O)[O-]	REAL300000403655	1	43	-2.0	-116.68	375.71	3.60	-113.08
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2CCNC(=O)C2=C1	REAL300000403656	1	39	-2.0	-106.29	351.51	4.64	-101.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000403657	1	39	-2.0	-113.26	356.47	4.43	-108.83
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000403658	0	40	-2.0	-115.47	353.28	3.68	-111.79
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000403659	1	39	-2.0	-110.80	358.98	4.54	-106.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000403660	1	39	-2.0	-103.55	341.25	4.01	-99.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCNC(=O)C2=C1	REAL300000403661	1	39	-2.0	-112.73	344.78	4.31	-108.42
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CC=C1	REAL300000403662	0	38	-2.0	-125.13	349.00	5.33	-119.80
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CC=C1	REAL300000403663	0	36	-2.0	-121.82	328.91	3.50	-118.32
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000403664	1	39	-2.0	-108.95	350.18	4.15	-104.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=CC2=CC=CC=C21	REAL300000403665	1	42	-2.0	-124.76	366.29	5.59	-119.17
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000403666	0	35	-2.0	-111.64	322.23	1.52	-110.12
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCNC(=O)C2=C1	REAL300000403667	0	40	-2.0	-107.55	353.45	3.26	-104.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)=C(Cl)O1	REAL300000403668	0	33	-2.0	-102.99	325.40	2.45	-100.54
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCNC(=O)C4=C3)C=C2)CC1	REAL300000403669	1	43	-2.0	-109.12	371.37	5.36	-103.76
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCNC(=O)C4=C3)C=C2C1	REAL300000403670	1	43	-2.0	-114.84	370.71	5.35	-109.49
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCNC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000403671	0	39	-2.0	-108.23	347.39	3.46	-104.77
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C)=NO1	REAL300000403672	0	40	-2.0	-83.94	354.79	3.29	-80.65
CCC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403673	0	33	-2.0	-99.44	302.89	4.72	-94.72
CCC1=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C(C)=NO1	REAL300000403674	0	41	-2.0	-100.98	358.39	5.75	-95.23
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C(C)=NO1	REAL300000403675	0	33	-2.0	-96.96	314.74	5.39	-91.57
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)=NO1	REAL300000403676	0	33	-2.0	-89.76	298.76	4.68	-85.08
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)=NO1	REAL300000403677	0	33	-2.0	-101.56	298.36	4.69	-96.87
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C)=NO1	REAL300000403678	0	37	-2.0	-107.15	326.91	4.45	-102.70
CCC1=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403679	0	33	-2.0	-97.20	314.60	5.18	-92.02
CCC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C)=NO1	REAL300000403680	0	37	-2.0	-89.72	329.79	6.00	-83.72
CCC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403681	0	36	-2.0	-102.75	313.97	5.25	-97.50
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C)=NO1	REAL300000403682	0	33	-2.0	-97.52	311.39	5.24	-92.28
CCC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403683	0	33	-2.0	-97.60	310.87	5.09	-92.51
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C(C)=NO1	REAL300000403684	0	33	-2.0	-93.35	324.34	5.60	-87.75
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C)=NO1	REAL300000403685	0	39	-2.0	-104.58	330.72	6.01	-98.57
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=NO1	REAL300000403686	0	33	-2.0	-98.72	303.80	4.75	-93.97
CCC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C)=NO1	REAL300000403687	0	39	-2.0	-88.96	341.90	6.29	-82.67
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=NO1	REAL300000403688	0	30	-2.0	-96.09	291.95	3.69	-92.40
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C)=NO1	REAL300000403689	0	36	-2.0	-102.81	314.20	5.45	-97.36
CCC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C)=NO1	REAL300000403690	0	37	-2.0	-88.41	329.40	4.99	-83.42
CCC1=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C(C)=NO1	REAL300000403691	0	44	-2.0	-85.07	375.43	5.73	-79.34
CCC1=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C(C)=NO1	REAL300000403692	0	30	-2.0	-93.37	308.98	4.45	-88.92
CCC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403693	0	34	-2.0	-99.96	305.42	4.01	-95.95
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C)=NO1	REAL300000403694	0	37	-2.0	-103.20	322.52	3.52	-99.68
CCC1=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=NO1	REAL300000403695	0	33	-2.0	-92.52	307.88	4.34	-88.18
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C)=NO1	REAL300000403696	0	39	-2.0	-103.91	328.85	6.06	-97.85
CCC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=NO1	REAL300000403697	0	30	-2.0	-97.44	290.01	3.73	-93.71
CCC1=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403698	0	41	-2.0	-102.17	356.67	4.50	-97.67
CCC1=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403699	0	37	-2.0	-107.43	326.06	4.74	-102.69
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(C)=NO1	REAL300000403700	0	43	-2.0	-106.58	354.02	7.31	-99.27
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C)=NO1	REAL300000403701	0	42	-2.0	-104.99	352.67	6.67	-98.32
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C(C)=NO1	REAL300000403702	0	39	-2.0	-101.22	325.56	6.33	-94.89
CCC1=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(C)=NO1	REAL300000403703	0	40	-2.0	-106.89	349.20	5.22	-101.67
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=NO1	REAL300000403704	0	35	-3.0	-174.72	326.77	5.26	-169.46
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C)=NO1	REAL300000403705	0	40	-2.0	-106.68	342.60	6.59	-100.09
CCC1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=NO1	REAL300000403706	0	33	-2.0	-95.98	301.37	3.84	-92.14
CCC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403707	0	39	-2.0	-106.46	340.94	4.43	-102.03
CCC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C)=NO1	REAL300000403708	0	37	-2.0	-102.43	326.88	3.80	-98.63
CCC1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C(C)=NO1	REAL300000403709	0	41	-2.0	-88.84	351.28	5.29	-83.55
CCC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403710	0	33	-2.0	-91.57	326.04	5.54	-86.03
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(C)=NO1	REAL300000403711	0	33	-2.0	-94.52	315.73	5.28	-89.24
CCC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C(C)=NO1	REAL300000403712	0	37	-2.0	-87.06	345.46	5.51	-81.55
CCC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(C)=NO1	REAL300000403713	0	40	-2.0	-88.90	349.93	5.65	-83.25
CCC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C(C)=NO1	REAL300000403714	0	43	-2.0	-88.14	378.52	5.91	-82.23
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=NO1	REAL300000403715	0	36	-2.0	-93.66	319.48	5.48	-88.18
CCC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)C(C)=NO1	REAL300000403716	0	46	-2.0	-89.11	391.95	6.60	-82.51
CCC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C)=NO1	REAL300000403717	0	37	-2.0	-88.08	335.65	5.03	-83.05
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(CC)ON=C2C)C=C1C(=O)[O-]	REAL300000403718	0	40	-2.0	-108.17	347.50	5.67	-102.50
CCC1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=NO1	REAL300000403719	0	33	-2.0	-99.30	308.46	4.55	-94.75
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C(C)=NO1	REAL300000403720	0	33	-2.0	-91.50	326.99	5.68	-85.82
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=NO1	REAL300000403721	0	33	-2.0	-87.52	311.82	5.22	-82.30
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C(C)=NO1	REAL300000403722	0	33	-2.0	-87.04	315.17	5.36	-81.68
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=NO1	REAL300000403723	0	33	-2.0	-89.49	303.31	4.71	-84.78
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=NO1	REAL300000403724	0	30	-2.0	-91.21	290.59	3.81	-87.40
CCC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=NO1	REAL300000403725	0	33	-2.0	-92.71	305.19	4.74	-87.97
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C)=NO1	REAL300000403726	0	36	-2.0	-100.05	323.66	5.40	-94.65
CCC1=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C(C)=NO1	REAL300000403727	0	37	-2.0	-92.09	338.45	5.31	-86.78
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=NO1	REAL300000403728	0	33	-2.0	-89.12	304.23	4.74	-84.38
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=NO1	REAL300000403729	0	33	-2.0	-87.49	311.28	5.07	-82.42
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C)=NO1	REAL300000403730	0	36	-2.0	-95.38	328.21	5.87	-89.51
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(C)=NO1	REAL300000403731	0	41	-2.0	-86.77	362.52	6.08	-80.69
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C(C)=NO1	REAL300000403732	0	33	-2.0	-87.03	315.02	5.17	-81.86
CCC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403733	0	33	-2.0	-91.22	309.18	4.79	-86.43
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C)=NO1	REAL300000403734	0	35	-2.0	-87.17	326.55	5.36	-81.81
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=NO1	REAL300000403735	0	33	-3.0	-193.88	304.47	3.25	-190.63
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=NO1	REAL300000403735	1	34	-2.0	-101.78	308.48	2.37	-99.41
CCC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)=NO1	REAL300000403736	0	36	-2.0	-93.16	320.50	5.48	-87.68
CCC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403737	0	33	-2.0	-92.62	319.07	5.22	-87.40
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C)=NO1	REAL300000403738	0	36	-2.0	-98.65	311.78	5.45	-93.20
CCC1=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403739	0	36	-2.0	-101.06	323.60	5.32	-95.74
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C)=NO1	REAL300000403740	0	36	-2.0	-90.13	314.18	5.44	-84.69
CCC1=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403741	0	39	-2.0	-105.59	335.37	5.89	-99.70
CCC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403742	0	35	-2.0	-100.67	324.96	5.77	-94.90
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=NO1	REAL300000403743	0	33	-2.0	-90.80	310.53	4.79	-86.01
CCC1=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C(C)=NO1	REAL300000403744	0	30	-2.0	-88.12	307.49	4.55	-83.57
CCC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C)=NO1	REAL300000403745	0	39	-2.0	-101.94	331.92	6.10	-95.84
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C)=NO1	REAL300000403746	0	36	-2.0	-99.75	319.58	5.32	-94.43
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C)=NO1	REAL300000403747	0	36	-2.0	-99.09	329.70	5.84	-93.25
CCC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C)=NO1	REAL300000403748	0	36	-2.0	-106.07	322.95	5.40	-100.67
CCC1=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403749	0	39	-2.0	-103.24	332.86	5.89	-97.35
CCC1=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C(C)=NO1	REAL300000403750	0	40	-2.0	-103.52	348.82	4.81	-98.71
CCC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C)=NO1	REAL300000403751	0	36	-2.0	-91.15	324.14	5.89	-85.26
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(C)=NO1	REAL300000403752	0	36	-2.0	-86.57	328.90	5.47	-81.10
CCC1=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403753	0	36	-2.0	-99.73	329.99	5.64	-94.09
CCC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C(C)=NO1	REAL300000403754	0	33	-2.0	-94.56	320.07	5.28	-89.28
CCC1=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403755	0	37	-2.0	-101.26	326.79	4.88	-96.38
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C(C)=NO1	REAL300000403756	0	33	-2.0	-89.83	324.37	5.23	-84.60
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C(C)=NO1	REAL300000403757	0	37	-2.0	-88.69	343.02	4.96	-83.73
CCC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403758	0	36	-2.0	-96.29	332.24	5.78	-90.51
CCC1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C(C)=NO1	REAL300000403759	0	42	-2.0	-99.04	345.60	6.81	-92.23
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C(C)=NO1	REAL300000403760	0	37	-2.0	-103.14	338.46	5.32	-97.82
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C)=NO1	REAL300000403761	0	36	-2.0	-89.83	314.87	5.22	-84.61
CCC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(C)=NO1	REAL300000403762	0	38	-2.0	-93.95	341.77	6.84	-87.11
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C)=NO1	REAL300000403763	0	36	-2.0	-100.84	318.31	5.50	-95.34
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C)=NO1	REAL300000403764	0	35	-2.0	-108.06	321.90	6.48	-101.58
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=NO1	REAL300000403765	0	33	-2.0	-105.45	302.43	4.69	-100.76
CCC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403766	0	36	-2.0	-94.70	323.47	5.36	-89.34
CCC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403767	0	39	-2.0	-109.79	338.92	6.85	-102.94
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=NO1	REAL300000403768	0	32	-2.0	-99.23	294.53	2.81	-96.42
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C)=NO1	REAL300000403769	0	37	-2.0	-93.50	326.52	4.47	-89.03
CCC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=NO1	REAL300000403770	0	30	-2.0	-89.95	298.47	3.66	-86.29
CCC1=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C(C)=NO1	REAL300000403771	0	37	-2.0	-97.09	342.56	5.22	-91.87
CCC1=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C(C)=NO1	REAL300000403772	0	36	-2.0	-92.91	342.12	1.70	-91.21
CCC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C)=NO1	REAL300000403773	0	40	-2.0	-96.14	344.04	6.59	-89.55
CCC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C)=NO1	REAL300000403774	0	40	-2.0	-98.70	343.81	6.57	-92.13
CCC1=C(S(=O)(=O)[N-]C2=C(CC)ON=C2C)C=C(C(=O)[O-])O1	REAL300000403775	0	36	-2.0	-95.81	320.49	4.69	-91.12
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C	REAL300000403776	1	43	-2.0	-86.12	379.27	4.72	-81.40
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000403777	1	36	-2.0	-101.95	326.36	6.13	-95.82
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)=O)C(C)=C1	REAL300000403778	0	44	-2.0	-102.77	381.99	7.21	-95.56
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300000403779	1	36	-2.0	-92.33	322.79	6.14	-86.19
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C	REAL300000403780	1	36	-2.0	-104.37	323.92	6.18	-98.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)=O)C(C)=C1	REAL300000403781	0	40	-2.0	-109.25	352.07	5.98	-103.27
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C	REAL300000403782	1	40	-2.0	-92.02	353.28	7.39	-84.63
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000403783	1	39	-2.0	-105.35	339.97	6.72	-98.63
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C	REAL300000403784	0	36	-2.0	-99.70	335.87	6.71	-92.99
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000403785	1	36	-2.0	-100.26	334.33	6.49	-93.77
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C	REAL300000403786	1	42	-2.0	-106.67	356.32	7.49	-99.18
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000403787	0	36	-2.0	-101.26	327.29	6.16	-95.10
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C	REAL300000403788	1	42	-2.0	-91.39	367.51	7.77	-83.62
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000403789	0	33	-2.0	-98.83	315.99	5.16	-93.67
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C	REAL300000403790	1	39	-2.0	-104.67	337.36	6.89	-97.78
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C	REAL300000403791	1	40	-2.0	-90.68	355.01	6.46	-84.22
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000403792	0	37	-2.0	-102.75	329.00	5.47	-97.28
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1C	REAL300000403793	1	40	-2.0	-105.44	346.02	4.92	-100.52
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C	REAL300000403794	0	36	-2.0	-95.04	331.92	5.82	-89.22
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1C	REAL300000403795	1	42	-2.0	-106.06	353.35	7.43	-98.63
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C	REAL300000403796	0	33	-2.0	-100.13	313.47	5.14	-94.99
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)=O)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000403797	1	44	-2.0	-104.62	380.17	5.91	-98.71
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000403798	1	40	-2.0	-110.08	351.21	6.25	-103.83
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1C	REAL300000403799	1	46	-2.0	-108.57	378.06	8.76	-99.81
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1C	REAL300000403800	1	45	-2.0	-106.81	377.83	8.20	-98.61
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)=O)C(C)=C1	REAL300000403801	1	42	-2.0	-103.21	354.06	7.91	-95.30
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)=O)C(C)=C1	REAL300000403802	0	43	-2.0	-110.04	372.35	6.66	-103.38
CC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000403803	0	39	-2.0	-108.68	353.71	6.69	-101.99
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000403803	1	38	-3.0	-179.02	350.23	6.66	-172.36
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C	REAL300000403804	1	43	-2.0	-108.71	368.19	8.08	-100.63
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C	REAL300000403805	0	36	-2.0	-98.34	326.93	5.32	-93.02
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C	REAL300000403806	1	42	-2.0	-109.15	364.97	5.91	-103.24
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C	REAL300000403807	0	40	-2.0	-105.54	352.91	5.27	-100.27
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1C	REAL300000403808	1	44	-2.0	-91.10	374.73	6.70	-84.40
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C	REAL300000403809	0	36	-2.0	-96.64	340.39	6.72	-89.92
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1C	REAL300000403810	1	40	-2.0	-89.33	368.91	6.92	-82.41
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1C	REAL300000403811	1	43	-2.0	-91.19	373.96	7.13	-84.06
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C	REAL300000403812	1	39	-2.0	-95.59	343.08	6.94	-88.65
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C	REAL300000403813	1	40	-2.0	-90.34	359.11	6.44	-83.90
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000403814	1	43	-2.0	-110.89	373.06	7.15	-103.74
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C	REAL300000403815	0	36	-2.0	-101.49	331.40	6.02	-95.47
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000403816	0	36	-2.0	-90.05	335.85	6.69	-83.36
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000403817	1	36	-2.0	-92.01	328.45	6.22	-85.79
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000403818	0	33	-2.0	-93.87	316.19	5.31	-88.56
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000403819	1	36	-2.0	-95.42	330.32	6.24	-89.18
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C	REAL300000403820	0	39	-2.0	-102.55	347.58	6.80	-95.75
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)=O)C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000403821	0	40	-2.0	-94.74	363.11	6.75	-87.99
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000403822	0	36	-2.0	-91.75	329.38	6.25	-85.50
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C	REAL300000403823	1	36	-2.0	-90.03	336.43	6.58	-83.45
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C	REAL300000403824	1	39	-2.0	-97.20	351.37	7.31	-89.89
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C	REAL300000403825	1	44	-2.0	-88.84	385.57	7.51	-81.33
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000403826	1	36	-2.0	-93.72	333.63	6.23	-87.49
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C	REAL300000403827	0	38	-2.0	-89.65	351.00	6.80	-82.85
CC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C	REAL300000403828	0	37	-2.0	-102.19	322.69	4.78	-97.41
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C	REAL300000403828	1	37	-2.0	-103.66	333.64	3.89	-99.77
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C	REAL300000403829	1	39	-2.0	-96.82	344.98	6.92	-89.90
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000403830	1	36	-2.0	-95.08	343.52	6.67	-88.41
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C	REAL300000403831	1	39	-2.0	-100.94	332.93	6.78	-94.16
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000403832	1	39	-2.0	-103.35	346.67	6.75	-96.60
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1C	REAL300000403833	1	39	-2.0	-92.53	337.23	6.87	-85.66
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000403834	1	42	-2.0	-107.34	354.54	7.15	-100.19
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300000403835	0	38	-2.0	-103.17	349.37	7.23	-95.94
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000403836	0	36	-2.0	-93.13	333.57	6.22	-86.91
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C	REAL300000403837	1	42	-2.0	-105.34	355.88	7.48	-97.86
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C	REAL300000403838	0	39	-2.0	-103.45	349.53	6.88	-96.57
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C	REAL300000403839	0	39	-2.0	-101.37	353.58	7.23	-94.14
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C	REAL300000403840	0	39	-2.0	-109.68	348.96	6.87	-102.81
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000403841	1	42	-2.0	-105.97	356.06	7.29	-98.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)=O)C(C)=C2)C=C1CC(=O)[O-]	REAL300000403842	1	43	-2.0	-105.50	374.39	6.31	-99.19
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C	REAL300000403843	1	39	-2.0	-95.19	354.66	7.43	-87.76
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000403844	1	39	-2.0	-102.06	355.17	7.14	-94.92
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000403845	0	40	-2.0	-104.00	350.39	6.34	-97.66
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=C1C	REAL300000403846	1	48	-2.0	-103.36	386.81	8.96	-94.40
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000403847	1	39	-2.0	-98.81	355.55	7.16	-91.65
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C	REAL300000403848	0	45	-2.0	-100.78	371.17	8.21	-92.57
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(C)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000403849	0	40	-2.0	-105.27	363.12	6.76	-98.51
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C	REAL300000403850	1	39	-2.0	-92.45	339.95	6.73	-85.72
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C	REAL300000403851	0	41	-2.0	-97.67	367.30	8.38	-89.29
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1C	REAL300000403852	1	39	-2.0	-102.60	341.46	6.93	-95.67
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C	REAL300000403853	0	38	-2.0	-111.99	345.55	7.95	-104.04
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000403854	0	36	-2.0	-108.83	326.41	6.16	-102.67
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000403855	1	39	-2.0	-97.04	346.81	6.78	-90.26
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C	REAL300000403856	1	42	-2.0	-112.37	363.87	8.26	-104.11
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000403857	0	35	-2.0	-101.91	318.60	4.25	-97.66
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)=O)C(C)=C1	REAL300000403858	0	40	-2.0	-96.40	352.12	5.97	-90.43
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000403859	0	33	-2.0	-92.33	324.07	5.16	-87.17
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C	REAL300000403860	1	43	-2.0	-98.59	368.92	8.02	-90.57
CC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C	REAL300000403861	1	43	-2.0	-102.63	367.36	7.98	-94.65
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)=O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000403862	0	39	-2.0	-98.10	344.93	6.14	-91.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=CC=C1F	REAL300000403863	1	34	-2.0	-104.06	326.23	3.54	-100.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1	REAL300000403864	1	34	-2.0	-94.30	321.69	3.51	-90.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403865	1	34	-2.0	-106.45	321.71	3.51	-102.94
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CO2)C=C1	REAL300000403866	0	38	-2.0	-111.73	349.84	3.30	-108.43
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1	REAL300000403867	1	38	-2.0	-94.02	353.16	4.81	-89.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1C(=O)[O-]	REAL300000403868	1	37	-2.0	-108.87	341.79	4.15	-104.72
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403869	0	34	-2.0	-102.14	334.77	4.08	-98.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=CC=C1Cl	REAL300000403870	1	34	-2.0	-102.34	334.21	3.91	-98.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1C	REAL300000403871	1	40	-2.0	-109.29	354.10	4.83	-104.46
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403872	0	34	-2.0	-103.59	327.18	3.57	-100.02
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1	REAL300000403873	1	40	-2.0	-93.15	365.26	5.09	-88.06
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403874	0	31	-2.0	-100.83	314.88	2.53	-98.30
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CO2)C=C1	REAL300000403875	1	37	-2.0	-107.54	337.13	4.29	-103.25
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1	REAL300000403876	1	38	-2.0	-92.62	352.78	3.79	-88.83
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1C(=O)[O-]	REAL300000403877	0	35	-2.0	-104.86	328.35	2.87	-101.99
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CO2)C=C1	REAL300000403878	1	38	-2.0	-107.87	345.90	2.33	-105.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403879	0	34	-2.0	-97.04	330.83	3.19	-93.85
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1C(=O)[O-]	REAL300000403880	1	40	-2.0	-108.60	353.16	4.83	-103.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=CS1	REAL300000403881	0	31	-2.0	-102.25	313.35	2.56	-99.69
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1C(=O)[O-]	REAL300000403882	1	38	-2.0	-112.34	348.99	3.58	-108.76
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403883	1	44	-2.0	-111.05	376.95	6.12	-104.93
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CO2)C=C1	REAL300000403884	1	43	-2.0	-109.54	375.60	5.53	-104.01
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CO2)C=C1	REAL300000403885	1	40	-2.0	-106.06	351.84	5.24	-100.82
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CO2)C=C1	REAL300000403886	0	41	-2.0	-112.05	372.13	4.07	-107.98
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NC=CO3)C=C2)=CC(C(=O)[O-])=C1	REAL300000403887	0	37	-2.0	-112.13	352.82	4.04	-108.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=CC(C(=O)[O-])=C1	REAL300000403887	1	36	-3.0	-181.32	350.10	4.08	-177.24
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403888	1	41	-2.0	-111.42	365.95	5.42	-106.00
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C(C(=O)[O-])O1	REAL300000403889	0	34	-2.0	-100.65	324.74	2.66	-97.99
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403890	0	38	-2.0	-107.59	350.67	2.60	-104.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C(Cl)C=C1F	REAL300000403891	0	34	-2.0	-98.98	339.29	4.09	-94.89
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=CC=C1OCC(=O)[O-]	REAL300000403892	1	41	-2.0	-93.09	372.86	4.49	-88.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CO2)C=C1	REAL300000403893	1	37	-2.0	-98.19	342.41	4.33	-93.86
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1F	REAL300000403894	1	38	-2.0	-92.25	358.99	3.86	-88.39
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1C(=O)[O-]	REAL300000403895	1	41	-2.0	-112.92	370.83	4.49	-108.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C(C(=O)[O-])S1	REAL300000403896	0	34	-2.0	-103.98	330.30	3.39	-100.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C(Cl)=C1	REAL300000403897	0	34	-2.0	-91.98	334.75	4.07	-87.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1F	REAL300000403898	1	34	-2.0	-93.95	326.24	3.54	-90.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)S1	REAL300000403899	0	31	-2.0	-95.89	313.97	2.63	-93.26
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403900	1	34	-2.0	-97.38	328.11	3.58	-93.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1F	REAL300000403901	0	37	-2.0	-104.87	347.46	4.22	-100.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C(F)=C1	REAL300000403902	0	34	-2.0	-93.59	327.16	3.58	-90.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1Cl	REAL300000403903	1	34	-2.0	-91.91	334.21	3.92	-87.99
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CO2)C=C1	REAL300000403904	1	37	-2.0	-99.79	351.14	4.73	-95.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=CC(F)=C1F	REAL300000403905	1	34	-2.0	-95.75	332.53	3.62	-92.13
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403906	0	36	-2.0	-91.60	349.89	4.18	-87.42
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403907	0	35	-2.0	-106.41	331.41	1.21	-105.20
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403907	1	35	-2.0	-106.98	330.64	2.03	-104.95
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1	REAL300000403908	1	37	-2.0	-97.55	343.87	4.29	-93.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=CC(Cl)=C1F	REAL300000403909	1	34	-2.0	-97.11	342.42	4.04	-93.07
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CO2)C=C1	REAL300000403910	1	37	-2.0	-103.81	335.52	4.24	-99.57
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000403911	1	37	-2.0	-105.41	346.53	4.16	-101.25
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CO2)C=C1	REAL300000403912	1	37	-2.0	-94.62	337.11	4.30	-90.32
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000403913	1	40	-2.0	-109.26	354.58	4.58	-104.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000403914	0	36	-2.0	-105.10	348.28	4.59	-100.51
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403915	0	34	-2.0	-95.33	333.46	3.64	-91.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C(C)=C1C(=O)[O-]	REAL300000403916	1	40	-2.0	-106.97	355.71	4.89	-102.08
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1C(=O)[O-]	REAL300000403917	0	37	-2.0	-104.61	343.17	4.10	-100.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1Cl	REAL300000403918	0	37	-2.0	-103.78	353.46	4.65	-99.13
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403919	0	37	-2.0	-111.14	346.72	4.21	-106.93
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1C(=O)[O-]	REAL300000403920	1	40	-2.0	-108.10	355.93	4.70	-103.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1CC(=O)[O-]	REAL300000403921	1	41	-2.0	-108.85	372.16	3.64	-105.21
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CO2)C=C1	REAL300000403922	1	37	-2.0	-95.94	348.49	4.65	-91.29
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000403923	1	37	-2.0	-104.04	352.92	4.47	-99.57
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1C(=O)[O-]	REAL300000403924	0	38	-2.0	-106.12	349.72	3.73	-102.39
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1C(=O)[O-]	REAL300000403925	1	37	-2.0	-100.96	355.48	4.58	-96.38
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=CC=C1C(=O)[O-]	REAL300000403926	1	37	-2.0	-94.41	337.71	4.05	-90.36
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CO2)C=C1	REAL300000403927	1	37	-2.0	-105.05	341.65	4.32	-100.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1[N+](=O)[O-]	REAL300000403928	0	36	-2.0	-113.75	345.42	5.36	-108.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1F	REAL300000403929	0	34	-2.0	-110.45	325.32	3.53	-106.92
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C1C(=O)[O-]	REAL300000403930	1	37	-2.0	-99.17	346.66	4.19	-94.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=CC2=CC=CC=C21	REAL300000403931	1	40	-2.0	-114.49	362.74	5.62	-108.87
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C1	REAL300000403932	0	33	-2.0	-103.98	317.91	1.64	-102.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NC=CO2)C=C1	REAL300000403933	0	38	-2.0	-98.36	349.90	3.32	-95.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)=C(Cl)O1	REAL300000403934	0	31	-2.0	-94.47	321.85	2.49	-91.98
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NC=CO4)C=C3)C=C2)CC1	REAL300000403935	1	41	-2.0	-99.99	365.68	5.33	-94.66
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NC=CO4)C=C3)C=C2C1	REAL300000403936	1	41	-2.0	-103.05	367.15	5.40	-97.65
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CO3)C=C2)C=C(C(=O)[O-])O1	REAL300000403937	0	37	-2.0	-100.51	343.82	3.50	-97.01
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000403938	1	43	-2.0	-102.06	379.61	7.73	-94.33
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000403939	1	43	-2.0	-90.97	375.06	7.70	-83.27
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000403940	1	43	-2.0	-102.90	375.10	7.69	-95.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000403941	1	46	-2.0	-105.31	395.17	8.34	-96.97
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000403942	0	43	-2.0	-101.82	380.56	7.76	-94.06
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000403943	0	40	-2.0	-98.70	368.26	6.72	-91.98
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC(C)(C)C)C=C1	REAL300000403944	1	46	-2.0	-103.92	390.51	8.49	-95.43
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000403945	0	44	-2.0	-101.40	381.73	7.05	-94.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)OC(C)(C)C)C=C2)=C1	REAL300000403946	0	43	-2.0	-95.00	384.21	7.38	-87.62
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000403947	0	40	-2.0	-100.22	366.73	6.74	-93.48
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC(C)(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000403948	0	43	-2.0	-97.21	378.11	6.84	-90.37
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC(C)(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000403949	0	43	-2.0	-100.56	383.71	7.61	-92.95
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000403950	1	43	-2.0	-90.66	379.61	7.74	-82.92
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000403951	0	40	-2.0	-92.49	367.34	6.83	-85.66
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000403952	0	43	-2.0	-95.32	381.48	7.76	-87.56
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000403953	0	43	-2.0	-91.42	380.54	7.77	-83.65
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000403954	0	44	-2.0	-102.91	384.79	5.42	-97.49
CC(C)(C)OC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000403954	1	44	-2.0	-105.59	384.02	6.20	-99.39
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000403955	1	46	-2.0	-94.17	397.25	8.48	-85.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC(C)(C)C)C=C1	REAL300000403956	1	46	-2.0	-100.67	388.37	8.46	-92.21
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC(C)(C)C)C=C1	REAL300000403957	1	46	-2.0	-92.73	390.49	8.48	-84.25
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000403958	0	47	-2.0	-102.66	403.10	7.92	-94.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)OC(C)(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000403959	1	46	-2.0	-92.29	391.09	8.24	-84.05
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000403960	0	43	-2.0	-107.05	378.74	7.72	-99.33
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000403961	0	42	-2.0	-101.88	371.29	5.83	-96.05
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC(C)(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000403962	0	46	-2.0	-97.05	397.20	7.69	-89.36
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000403963	0	41	-2.0	-104.93	356.78	6.28	-98.65
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000403964	0	41	-2.0	-94.99	352.24	6.25	-88.74
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000403965	0	41	-2.0	-107.58	352.25	6.24	-101.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)(C)C	REAL300000403966	0	45	-2.0	-112.66	380.39	6.05	-106.61
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000403967	0	45	-2.0	-94.60	384.28	7.57	-87.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000403968	0	44	-2.0	-109.05	368.75	6.80	-102.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)=C1C	REAL300000403969	0	47	-2.0	-109.91	385.36	7.58	-102.33
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000403970	0	41	-2.0	-104.61	357.73	6.32	-98.29
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000403971	0	47	-2.0	-93.59	395.82	7.83	-85.76
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000403972	0	38	-2.0	-101.83	345.44	5.27	-96.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)(C)C	REAL300000403973	0	44	-2.0	-107.96	367.68	7.03	-100.93
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000403974	0	45	-2.0	-93.02	383.33	6.53	-86.49
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000403975	0	42	-2.0	-105.98	358.89	5.60	-100.38
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)(C)C	REAL300000403976	1	45	-2.0	-108.58	376.03	5.09	-103.49
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)=C1	REAL300000403977	0	41	-2.0	-97.94	361.38	5.94	-92.00
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000403978	0	47	-2.0	-110.40	387.02	7.66	-102.74
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000403979	0	38	-2.0	-103.18	343.90	5.29	-97.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000403980	0	45	-2.0	-113.39	379.54	6.32	-107.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)(C)C	REAL300000403981	0	47	-2.0	-105.88	382.37	7.97	-97.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)C=C(C(=O)[O-])O1	REAL300000403982	0	41	-2.0	-101.18	355.25	5.40	-95.78
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)=C1	REAL300000403983	0	45	-2.0	-108.36	381.21	5.34	-103.02
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)(C)C	REAL300000403984	0	44	-2.0	-98.63	372.96	7.06	-91.57
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)C=C(C(=O)[O-])S1	REAL300000403985	0	41	-2.0	-104.45	360.87	6.14	-98.31
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000403986	0	41	-2.0	-94.47	356.78	6.28	-88.19
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000403987	0	38	-2.0	-96.73	344.51	5.37	-91.36
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000403988	0	41	-2.0	-98.37	358.66	6.31	-92.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)=C1F	REAL300000403989	0	44	-2.0	-106.15	378.00	6.95	-99.20
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000403990	0	41	-2.0	-94.53	357.71	6.32	-88.21
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000403991	0	42	-2.0	-106.64	361.96	3.96	-102.68
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000403992	0	44	-2.0	-98.36	374.42	7.03	-91.33
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)(C)C	REAL300000403993	0	44	-2.0	-103.89	362.36	6.89	-97.00
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)=CC(C(=O)[O-])=C1F	REAL300000403994	0	44	-2.0	-106.38	377.08	6.90	-99.48
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)(C)C	REAL300000403995	0	44	-2.0	-95.05	367.66	7.02	-88.03
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)=CC(C(=O)[O-])=C1C	REAL300000403996	0	47	-2.0	-110.69	385.07	7.32	-103.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)C(C)=C1C(=O)[O-]	REAL300000403997	0	47	-2.0	-108.30	385.94	7.67	-100.63
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000403998	0	44	-2.0	-107.35	377.96	6.97	-100.38
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)=C1	REAL300000403999	0	44	-2.0	-112.74	377.28	6.93	-105.81
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000404000	0	47	-2.0	-109.44	386.39	7.43	-102.01
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000404001	0	45	-2.0	-107.23	380.28	6.47	-100.76
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)=CC=C1C(=O)[O-]	REAL300000404002	0	44	-2.0	-96.78	372.01	6.87	-89.91
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)(C)C	REAL300000404003	0	44	-2.0	-105.24	372.20	7.07	-98.17
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000404004	0	41	-2.0	-111.95	355.89	6.27	-105.68
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)C=C1C(=O)[O-]	REAL300000404005	0	44	-2.0	-99.26	373.41	6.83	-92.43
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000404006	0	40	-2.0	-105.35	348.46	4.37	-100.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)(C)C	REAL300000404007	0	45	-2.0	-99.15	380.45	6.05	-93.10
CC(C)(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000404008	0	38	-2.0	-95.24	352.35	5.22	-90.02
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)(C)C)C=C(C(=O)[O-])O1	REAL300000404009	0	44	-2.0	-100.83	374.37	6.25	-94.58
CC(C)(C)C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000404027	0	48	-2.0	-113.98	388.35	8.58	-105.40
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=CC=C1F	REAL300000404037	0	29	-2.0	-109.29	316.19	3.90	-105.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=CC=C1F	REAL300000404037	1	28	-3.0	-171.14	309.74	4.04	-167.10
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300000404038	0	29	-2.0	-92.84	311.64	3.88	-88.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300000404038	1	28	-3.0	-159.27	305.18	4.01	-155.26
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300000404039	0	28	-3.0	-174.73	305.20	4.00	-170.73
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300000404039	1	29	-2.0	-108.23	311.91	3.86	-104.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404040	0	32	-3.0	-180.92	333.34	3.79	-177.13
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300000404041	0	33	-2.0	-90.97	343.11	5.17	-85.80
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300000404041	1	32	-3.0	-159.35	336.66	5.30	-154.05
CC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000404042	0	32	-2.0	-109.99	327.90	4.39	-105.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000404042	1	31	-3.0	-176.33	321.21	4.54	-171.79
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300000404043	0	28	-3.0	-170.45	318.27	4.58	-165.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=CC=C1Cl	REAL300000404044	0	28	-3.0	-170.08	317.71	4.40	-165.68
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=CC=C1Cl	REAL300000404044	1	29	-2.0	-105.80	324.17	4.27	-101.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1C	REAL300000404045	0	35	-2.0	-109.17	340.34	5.33	-103.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C1C	REAL300000404045	1	34	-3.0	-177.41	337.59	5.31	-172.10
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300000404046	0	28	-3.0	-172.03	310.67	4.07	-167.96
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300000404047	0	34	-3.0	-159.39	348.77	5.59	-153.80
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300000404047	1	35	-2.0	-91.34	355.23	5.46	-85.88
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300000404048	0	25	-3.0	-167.30	298.38	3.02	-164.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404049	0	32	-2.0	-107.80	320.11	4.34	-103.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404049	1	31	-3.0	-175.37	320.62	4.80	-170.57
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300000404050	0	33	-2.0	-90.92	342.73	4.16	-86.76
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000404051	0	29	-3.0	-172.18	311.84	3.35	-168.83
CN1C=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000404051	1	30	-2.0	-105.14	318.46	3.23	-101.91
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404052	0	33	-2.0	-108.38	331.25	2.81	-105.57
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300000404053	0	28	-3.0	-162.57	314.33	3.69	-158.88
CC1=CC(C)=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000404054	0	35	-2.0	-107.86	338.51	5.33	-102.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=CS1	REAL300000404055	0	25	-3.0	-169.21	296.85	3.04	-166.17
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=CS1	REAL300000404055	1	26	-2.0	-89.58	303.52	2.90	-86.68
COC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000404056	0	33	-2.0	-95.51	338.94	3.94	-91.57
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000404056	1	32	-3.0	-180.67	332.49	4.07	-176.60
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404057	0	35	-2.0	-107.19	336.97	5.24	-101.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404057	1	34	-3.0	-174.08	335.32	5.72	-168.36
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000404058	0	28	-3.0	-165.72	308.20	3.14	-162.58
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300000404059	0	32	-3.0	-176.63	334.11	3.09	-173.54
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404060	0	31	-3.0	-164.81	325.90	4.82	-159.99
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404060	1	32	-2.0	-100.38	325.51	4.39	-95.99
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000404061	0	28	-3.0	-170.77	313.82	3.90	-166.87
CC1=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000404061	1	29	-2.0	-105.30	317.68	3.86	-101.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C(Cl)=C1	REAL300000404062	0	28	-3.0	-157.48	318.25	4.57	-152.91
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C(Cl)=C1	REAL300000404062	1	29	-2.0	-89.15	320.89	4.54	-84.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C1F	REAL300000404063	0	28	-3.0	-158.15	309.73	4.05	-154.10
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1F	REAL300000404063	1	29	-2.0	-92.93	316.44	3.90	-89.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)S1	REAL300000404064	0	25	-3.0	-161.12	297.47	3.13	-157.99
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300000404065	0	28	-3.0	-164.48	311.61	4.06	-160.42
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300000404065	1	29	-2.0	-100.35	318.32	3.93	-96.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C1F	REAL300000404066	0	31	-3.0	-173.56	330.97	4.70	-168.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C(F)=C1	REAL300000404067	0	28	-3.0	-159.14	310.65	4.08	-155.06
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1Cl	REAL300000404068	0	29	-2.0	-90.14	324.41	4.27	-85.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C1Cl	REAL300000404068	1	28	-3.0	-156.76	317.69	4.41	-152.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=CC(F)=C1F	REAL300000404069	0	28	-3.0	-161.64	316.02	4.10	-157.54
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=CC(F)=C1F	REAL300000404069	1	29	-2.0	-101.92	322.74	3.96	-97.96
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300000404070	0	29	-3.0	-174.28	314.91	1.72	-172.56
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300000404071	0	31	-3.0	-165.93	327.37	4.78	-161.15
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300000404071	1	32	-2.0	-95.83	333.83	4.66	-91.17
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404072	0	32	-2.0	-91.66	314.63	4.23	-87.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404072	1	31	-3.0	-172.11	319.03	4.74	-167.37
CC1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=CC(C(=O)[O-])=C1F	REAL300000404073	0	32	-2.0	-91.38	336.74	4.51	-86.87
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=CC(C(=O)[O-])=C1F	REAL300000404073	1	31	-3.0	-172.51	330.03	4.66	-167.85
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404074	0	32	-2.0	-95.54	323.38	4.75	-90.79
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404074	1	31	-3.0	-159.67	320.61	4.78	-154.89
CC1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=CC(C(=O)[O-])=C1C	REAL300000404075	0	35	-2.0	-111.93	345.36	5.18	-106.75
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=CC(C(=O)[O-])=C1C	REAL300000404075	1	34	-3.0	-178.56	338.07	5.06	-173.50
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300000404076	0	28	-3.0	-162.67	316.95	4.13	-158.54
CC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000404077	0	35	-2.0	-95.40	340.99	5.38	-90.02
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000404078	0	31	-3.0	-174.44	330.51	4.69	-169.75
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300000404079	0	31	-3.0	-180.37	330.23	4.70	-175.67
CCC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000404080	0	35	-2.0	-108.55	345.59	5.06	-103.49
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000404080	1	34	-3.0	-177.35	339.16	5.19	-172.16
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000404081	0	32	-3.0	-173.63	333.14	4.22	-169.41
CCN1C=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000404081	1	33	-2.0	-106.23	339.84	4.09	-102.14
CC1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000404082	0	32	-2.0	-91.76	327.65	4.41	-87.35
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000404082	1	31	-3.0	-161.13	325.26	4.65	-156.48
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404083	0	32	-2.0	-108.37	327.00	4.79	-103.58
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404083	1	31	-3.0	-171.61	325.15	4.82	-166.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C1F	REAL300000404084	0	28	-3.0	-179.71	308.86	4.04	-175.67
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000404085	0	31	-3.0	-165.77	326.37	4.57	-161.20
CC1=C(F)C=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000404085	1	32	-2.0	-85.78	328.47	4.51	-81.27
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300000404086	0	27	-3.0	-171.09	302.18	2.06	-169.03
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C([O-])C(Cl)=C1	REAL300000404087	0	32	-3.0	-164.64	333.40	3.80	-160.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)=C(Cl)O1	REAL300000404088	0	25	-3.0	-159.45	305.34	2.99	-156.46
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000404089	0	31	-3.0	-166.04	327.32	3.99	-162.05
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC2=NNC=C21	REAL300000404090	1	41	-2.0	-104.80	369.16	2.93	-101.87
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404091	1	34	-2.0	-122.01	317.23	4.38	-117.63
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNC=C2C(C)=C1	REAL300000404092	0	42	-2.0	-124.18	372.32	5.44	-118.74
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC2=NNC=C21	REAL300000404093	1	34	-2.0	-111.55	312.68	4.35	-107.20
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404094	1	34	-2.0	-125.22	312.70	4.36	-120.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNC=C2C(C)=C1	REAL300000404095	0	38	-2.0	-132.06	340.84	4.15	-127.91
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC2=NNC=C21	REAL300000404096	1	38	-2.0	-111.14	344.15	5.64	-105.50
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404097	1	37	-2.0	-126.62	328.72	4.88	-121.74
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC2=NNC=C21	REAL300000404098	0	34	-2.0	-121.16	325.77	4.93	-116.23
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404099	1	34	-2.0	-120.61	325.20	4.74	-115.87
CC1=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404100	1	40	-2.0	-128.99	345.09	5.67	-123.32
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC2=NNC=C21	REAL300000404101	0	34	-2.0	-123.37	318.18	4.42	-118.95
CC1=C2C=NNC2=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000404101	1	34	-2.0	-108.09	318.59	4.40	-103.69
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC2=NNC=C21	REAL300000404102	1	40	-2.0	-110.78	356.26	5.93	-104.85
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC2=NNC=C21	REAL300000404103	0	31	-2.0	-118.91	305.88	3.37	-115.54
CC1=C2C=NNC2=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000404103	1	31	-2.0	-104.55	306.29	3.36	-101.19
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC2=NNC=C21	REAL300000404104	1	37	-2.0	-127.02	328.13	5.13	-121.89
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC2=NNC=C21	REAL300000404105	1	38	-2.0	-109.77	343.77	4.64	-105.13
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404106	0	35	-2.0	-123.34	319.34	3.70	-119.64
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CC2=NNC=C21	REAL300000404107	1	38	-2.0	-127.10	336.90	3.17	-123.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C)=C2)=C1	REAL300000404108	0	34	-2.0	-114.88	321.82	4.04	-110.84
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=C3C=NNC3=C2)=C1	REAL300000404108	1	34	-2.0	-100.69	322.23	4.02	-96.67
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404109	1	40	-2.0	-128.49	344.16	5.67	-122.82
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404110	0	31	-2.0	-120.53	304.34	3.39	-117.14
COC1=CC(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000404111	1	42	-2.0	-125.03	371.01	4.16	-120.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C)=C2)C=C1C(=O)[O-]	REAL300000404112	1	38	-2.0	-130.98	339.97	4.41	-126.57
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC2=NNC=C21	REAL300000404113	1	44	-2.0	-131.30	367.96	6.98	-124.32
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC2=NNC=C21	REAL300000404114	1	43	-2.0	-129.54	366.60	6.38	-123.16
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNC=C2C(C)=C1	REAL300000404115	1	40	-2.0	-125.19	342.84	6.08	-119.11
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNC=C2C(C)=C1	REAL300000404116	0	41	-2.0	-132.03	363.13	4.91	-127.12
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404117	0	37	-2.0	-118.70	343.69	4.92	-113.78
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404117	1	36	-3.0	-201.89	341.10	4.92	-196.97
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC2=NNC=C21	REAL300000404118	1	41	-2.0	-131.55	356.95	6.25	-125.30
CC1=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C)=C2)C=C(C(=O)[O-])O1	REAL300000404119	0	34	-2.0	-118.85	315.71	3.49	-115.36
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404120	1	40	-2.0	-129.78	354.86	4.12	-125.66
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C)=C2)=C1	REAL300000404121	0	38	-2.0	-125.78	341.68	3.44	-122.34
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=CC2=NNC=C21	REAL300000404122	1	42	-2.0	-111.50	366.32	4.97	-106.53
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC2=NNC=C21	REAL300000404123	0	34	-2.0	-117.26	330.29	4.95	-112.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CC2=NNC=C21	REAL300000404124	1	38	-2.0	-107.97	359.79	5.17	-102.80
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CC2=NNC=C21	REAL300000404125	1	41	-2.0	-110.29	363.85	5.34	-104.95
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC2=NNC=C21	REAL300000404126	1	37	-2.0	-116.65	333.41	5.17	-111.48
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC2=NNC=C21	REAL300000404127	1	38	-2.0	-108.82	349.98	4.69	-104.13
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C)=C2)C=C1C(=O)[O-]	REAL300000404128	1	41	-2.0	-131.65	361.83	5.32	-126.33
CC1=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C)=C2)C=C(C(=O)[O-])S1	REAL300000404129	0	34	-2.0	-122.96	321.30	4.26	-118.70
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC2=NNC=C21	REAL300000404130	0	34	-2.0	-108.83	325.74	4.91	-103.92
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC2=NNC=C21	REAL300000404131	1	34	-2.0	-110.65	317.22	4.39	-106.26
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC2=NNC=C21	REAL300000404132	0	31	-2.0	-113.55	304.97	3.48	-110.07
CC1=C2C=NNC2=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000404132	1	31	-2.0	-99.44	305.37	3.46	-95.98
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404133	1	34	-2.0	-115.45	319.10	4.42	-111.03
CC1=CC([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404134	0	37	-2.0	-124.90	338.45	5.06	-119.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C)=C3C=NNC3=C2)=C1F	REAL300000404134	1	37	-2.0	-109.51	338.87	5.04	-104.47
COC1=CC(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000404135	0	38	-2.0	-113.28	353.01	4.98	-108.30
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC2=NNC=C21	REAL300000404136	0	34	-2.0	-111.08	318.16	4.42	-106.66
CC1=C2C=NNC2=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000404136	1	34	-2.0	-97.07	318.57	4.40	-92.67
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC2=NNC=C21	REAL300000404137	1	34	-2.0	-108.87	325.19	4.75	-104.12
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC2=NNC=C21	REAL300000404138	1	37	-2.0	-118.52	342.14	5.56	-112.96
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC2=NNC=C21	REAL300000404139	1	42	-2.0	-107.58	376.44	5.76	-101.82
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404140	1	34	-2.0	-112.96	323.51	4.44	-108.52
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC2=NNC=C21	REAL300000404141	0	36	-2.0	-109.13	340.88	5.03	-104.10
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC2=NNC=C21	REAL300000404142	0	35	-2.0	-126.13	322.41	2.06	-124.07
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC2=NNC=C21	REAL300000404143	1	37	-2.0	-116.36	334.86	5.12	-111.24
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404144	1	34	-2.0	-114.54	333.40	4.88	-109.66
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC2=NNC=C21	REAL300000404145	1	37	-2.0	-120.32	322.77	5.00	-115.32
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)=CC2=NNC=C21	REAL300000404146	1	37	-2.0	-123.43	337.53	5.00	-118.43
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC2=NNC=C21	REAL300000404147	1	37	-2.0	-111.79	328.11	5.13	-106.66
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=CC2=NNC=C21	REAL300000404148	1	40	-2.0	-129.81	349.49	5.52	-124.29
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404149	0	36	-2.0	-122.06	339.25	5.44	-116.62
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC2=NNC=C21	REAL300000404150	0	34	-2.0	-114.22	324.46	4.48	-109.74
CC1=C2C=NNC2=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000404150	1	34	-2.0	-99.47	324.86	4.46	-95.01
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC2=NNC=C21	REAL300000404151	1	40	-2.0	-124.61	347.17	5.75	-118.86
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404152	0	37	-2.0	-124.67	334.17	4.96	-119.71
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=C3C=NNC3=C2)C=C1C(=O)[O-]	REAL300000404152	1	37	-2.0	-110.36	338.43	5.03	-105.33
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404153	0	37	-2.0	-123.12	344.46	5.49	-117.63
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C)=C2)=C1	REAL300000404154	0	37	-2.0	-129.35	337.73	5.05	-124.30
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C)=C3C=NNC3=C2)=C1	REAL300000404154	1	37	-2.0	-114.70	338.14	5.02	-109.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C)=C2)C=C1C(=O)[O-]	REAL300000404155	1	40	-2.0	-127.44	346.63	5.53	-121.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C)=C2)C=C1CC(=O)[O-]	REAL300000404156	1	41	-2.0	-127.42	363.16	4.48	-122.94
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC2=NNC=C21	REAL300000404157	1	37	-2.0	-113.22	339.48	5.50	-107.72
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CC2=NNC=C21	REAL300000404158	1	37	-2.0	-107.77	342.81	5.16	-102.61
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)=CC2=NNC=C21	REAL300000404159	1	37	-2.0	-122.51	343.92	5.31	-117.20
CCN1C=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C)=C2)C=C1C(=O)[O-]	REAL300000404160	0	38	-2.0	-124.63	340.70	4.57	-120.06
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=CC2=NNC=C21	REAL300000404161	1	46	-2.0	-124.91	377.61	7.20	-117.71
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404162	1	37	-2.0	-119.27	346.44	5.42	-113.85
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404163	0	43	-2.0	-122.04	362.16	6.49	-115.55
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C)=C2)C=C1C(=O)[O-]	REAL300000404164	0	38	-2.0	-126.71	353.02	4.99	-121.72
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC2=NNC=C21	REAL300000404165	1	37	-2.0	-111.85	328.70	4.89	-106.96
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC2=NNC=C21	REAL300000404166	0	39	-2.0	-116.55	355.96	6.53	-110.02
CC1=C2C=NNC2=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000404166	1	39	-2.0	-102.50	356.37	6.53	-95.97
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC2=NNC=C21	REAL300000404167	1	37	-2.0	-123.68	332.65	5.16	-118.52
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC2=NNC=C21	REAL300000404168	0	36	-2.0	-131.56	336.45	6.22	-125.34
CC1=C2C=NNC2=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000404168	1	36	-2.0	-117.10	336.83	6.19	-110.91
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC2=NNC=C21	REAL300000404169	0	34	-2.0	-128.51	316.32	4.38	-124.13
CC1=C2C=NNC2=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000404169	1	34	-2.0	-113.95	316.77	4.37	-109.58
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404170	1	37	-2.0	-117.37	337.63	5.02	-112.35
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404171	1	40	-2.0	-133.66	353.74	6.48	-127.18
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC2=NNC=C21	REAL300000404172	0	33	-2.0	-122.99	308.91	2.48	-120.51
CC1=C2C=NNC2=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000404172	1	33	-2.0	-108.06	309.34	2.47	-105.59
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=NNC=C2C(C)=C1	REAL300000404173	0	38	-2.0	-116.39	340.89	4.14	-112.25
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC2=NNC=C21	REAL300000404174	0	31	-2.0	-112.06	312.85	3.33	-108.73
CC1=C2C=NNC2=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000404174	1	31	-2.0	-98.12	313.25	3.31	-94.81
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC2=NNC=C21	REAL300000404175	1	41	-2.0	-119.05	358.82	6.23	-112.82
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC2=NNC=C21	REAL300000404176	1	41	-2.0	-121.77	358.13	6.23	-115.54
CCC1=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C)=C2)C=C(C(=O)[O-])O1	REAL300000404177	0	37	-2.0	-118.76	334.83	4.34	-114.42
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000404178	0	38	-2.0	-82.83	353.83	-1.38	-84.21
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000404179	0	31	-2.0	-97.83	301.90	0.07	-97.76
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1	REAL300000404180	0	39	-2.0	-99.15	356.99	1.12	-98.03
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000404181	0	31	-2.0	-88.47	297.35	0.04	-88.43
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000404182	0	31	-2.0	-99.77	297.37	0.03	-99.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1	REAL300000404183	0	35	-2.0	-104.83	325.51	-0.17	-105.00
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000404184	0	35	-2.0	-88.56	328.82	1.33	-87.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000404185	0	34	-2.0	-102.04	317.44	0.68	-101.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)=C1C	REAL300000404186	0	37	-2.0	-102.75	329.76	1.35	-101.40
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000404187	0	31	-2.0	-96.87	302.85	0.10	-96.77
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000404188	0	37	-2.0	-87.56	340.93	1.62	-85.94
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000404189	0	28	-2.0	-94.42	290.55	-0.95	-95.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1	REAL300000404190	0	34	-2.0	-100.97	312.81	0.82	-100.15
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000404191	0	35	-2.0	-87.15	328.44	0.32	-86.83
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000404192	0	32	-2.0	-98.30	304.01	-0.62	-98.92
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1	REAL300000404193	0	35	-2.0	-101.59	321.57	-1.14	-102.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)=C1	REAL300000404194	0	31	-2.0	-90.79	306.49	-0.28	-91.07
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000404195	0	37	-2.0	-102.34	328.44	1.36	-100.98
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000404196	0	28	-2.0	-95.87	289.02	-0.93	-96.80
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000404197	0	39	-2.0	-100.30	355.70	-0.16	-100.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000404198	0	35	-2.0	-105.70	324.66	0.11	-105.59
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000404199	0	41	-2.0	-104.33	352.61	2.66	-101.67
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1	REAL300000404200	0	40	-2.0	-102.91	351.27	2.05	-100.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1	REAL300000404201	0	37	-2.0	-99.86	327.51	1.76	-98.10
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1	REAL300000404202	0	38	-2.0	-104.58	347.80	0.59	-103.99
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000404203	0	33	-3.0	-172.51	325.77	0.60	-171.91
NC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000404203	1	34	-2.0	-109.42	332.34	0.49	-108.93
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000404204	0	38	-2.0	-104.60	341.62	1.93	-102.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C(C(=O)[O-])O1	REAL300000404205	0	31	-2.0	-94.56	300.38	-0.83	-95.39
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000404206	0	37	-2.0	-104.47	339.53	-0.19	-104.66
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)=C1	REAL300000404207	0	35	-2.0	-101.02	326.36	-0.88	-101.90
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000404208	0	39	-2.0	-88.16	351.00	0.65	-87.51
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000404209	0	31	-2.0	-89.94	325.05	0.88	-89.06
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000404210	0	35	-2.0	-85.98	344.47	0.86	-85.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)=CC=C1OCC(=O)[O-]	REAL300000404211	0	38	-2.0	-87.52	348.53	1.02	-86.50
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=N1	REAL300000404212	0	41	-2.0	-87.12	377.11	1.29	-85.83
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1	REAL300000404213	0	34	-2.0	-92.05	318.09	0.85	-91.20
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000404214	0	44	-2.0	-87.90	390.96	1.96	-85.94
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000404215	0	35	-2.0	-87.08	334.66	0.38	-86.70
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000404216	0	38	-2.0	-106.23	346.50	1.01	-105.22
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C(C(=O)[O-])S1	REAL300000404217	0	31	-2.0	-97.59	307.06	-0.09	-97.68
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000404218	0	31	-2.0	-89.81	325.59	1.05	-88.76
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000404219	0	31	-2.0	-86.24	310.42	0.60	-85.64
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000404220	0	31	-2.0	-88.28	301.88	0.07	-88.21
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000404221	0	28	-2.0	-89.68	289.64	-0.83	-90.51
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000404222	0	31	-2.0	-91.16	303.77	0.10	-91.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)=C1F	REAL300000404223	0	34	-2.0	-98.07	323.12	0.73	-97.34
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000404224	0	35	-2.0	-90.89	337.68	0.66	-90.23
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000404225	0	31	-2.0	-87.51	302.83	0.11	-87.40
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000404226	0	31	-2.0	-86.15	309.86	0.44	-85.71
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1	REAL300000404227	0	34	-2.0	-93.59	326.81	1.23	-92.36
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000404228	0	39	-2.0	-85.68	361.11	1.45	-84.23
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000404229	0	33	-2.0	-85.64	325.56	0.70	-84.94
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000404230	0	32	-2.0	-100.06	307.09	-2.26	-102.32
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000404231	0	34	-2.0	-91.57	319.54	0.81	-90.76
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000404232	0	31	-2.0	-91.07	318.08	0.56	-90.51
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1	REAL300000404233	0	34	-2.0	-96.17	307.41	0.66	-95.51
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)=CC(C(=O)[O-])=C1F	REAL300000404234	0	34	-2.0	-99.00	322.20	0.69	-98.31
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1	REAL300000404235	0	34	-2.0	-88.90	312.79	0.80	-88.10
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)=CC(C(=O)[O-])=C1C	REAL300000404236	0	37	-2.0	-103.79	334.17	1.20	-102.59
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000404237	0	33	-2.0	-99.40	323.93	1.12	-98.28
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000404238	0	31	-2.0	-88.94	309.13	0.16	-88.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C(C)=C1C(=O)[O-]	REAL300000404239	0	37	-2.0	-100.58	330.76	1.45	-99.13
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000404240	0	34	-2.0	-98.98	322.68	0.72	-98.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)=C1Cl	REAL300000404241	0	34	-2.0	-97.31	329.15	1.17	-96.14
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)=C1	REAL300000404242	0	34	-2.0	-104.14	322.38	0.73	-103.41
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000404243	0	37	-2.0	-101.34	331.61	1.22	-100.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C1CC(=O)[O-]	REAL300000404244	0	38	-2.0	-101.63	347.83	0.17	-101.46
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1	REAL300000404245	0	34	-2.0	-90.71	327.90	1.29	-89.42
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000404246	0	34	-2.0	-85.32	327.48	0.84	-84.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000404247	0	34	-2.0	-97.54	328.59	0.99	-96.55
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000404248	0	35	-2.0	-99.52	325.39	0.25	-99.27
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C(C)=C1CC(=O)[O-]	REAL300000404249	0	43	-2.0	-100.05	362.52	2.90	-97.15
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000404250	0	31	-2.0	-88.02	322.95	0.59	-87.43
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000404251	0	34	-2.0	-94.35	331.11	1.11	-93.24
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000404252	0	35	-2.0	-101.34	337.70	0.66	-100.68
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)=CC=C1C(=O)[O-]	REAL300000404253	0	34	-2.0	-88.39	313.38	0.58	-87.81
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000404254	0	36	-2.0	-93.14	340.63	2.22	-90.92
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1	REAL300000404255	0	34	-2.0	-98.89	317.33	0.86	-98.03
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000404256	0	33	-2.0	-106.99	321.11	1.87	-105.12
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000404257	0	31	-2.0	-103.61	301.03	0.06	-103.55
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C1C(=O)[O-]	REAL300000404258	0	34	-2.0	-92.66	322.31	0.71	-91.95
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000404259	0	37	-2.0	-107.60	338.41	2.15	-105.45
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000404260	0	30	-2.0	-97.20	293.59	-1.84	-99.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1	REAL300000404261	0	35	-2.0	-92.20	325.57	-0.17	-92.37
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000404262	0	28	-2.0	-88.42	297.52	-0.98	-89.40
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000404263	0	38	-2.0	-94.79	343.50	1.91	-92.88
NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000404264	0	38	-2.0	-97.48	342.81	1.92	-95.56
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2)C=C(C(=O)[O-])O1	REAL300000404265	0	34	-2.0	-94.51	319.50	0.02	-94.49
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000404266	0	40	-2.0	-82.58	358.44	3.39	-79.19
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000404267	0	33	-2.0	-97.02	306.52	4.83	-92.19
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000404268	0	41	-2.0	-99.16	357.97	5.69	-93.47
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000404269	0	33	-2.0	-95.06	314.77	5.32	-89.74
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000404270	0	33	-2.0	-88.46	301.96	4.81	-83.65
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000404271	0	33	-2.0	-100.64	301.49	4.83	-95.81
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000404272	0	37	-2.0	-104.94	326.49	4.39	-100.55
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000404273	0	33	-2.0	-94.70	318.23	5.29	-89.41
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000404274	0	37	-2.0	-88.36	333.43	6.10	-82.26
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000404275	0	36	-2.0	-99.84	317.57	5.34	-94.50
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000404276	0	33	-2.0	-95.61	311.42	5.18	-90.43
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000404277	0	33	-2.0	-95.18	314.49	5.20	-89.98
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000404278	0	33	-2.0	-91.53	323.92	5.56	-85.97
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000404279	0	39	-2.0	-102.74	331.02	5.95	-96.79
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000404280	0	33	-2.0	-96.80	303.83	4.67	-92.13
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000404281	0	39	-2.0	-87.43	345.55	6.37	-81.06
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000404282	0	30	-2.0	-94.48	291.53	3.63	-90.85
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000404283	0	36	-2.0	-100.70	313.78	5.39	-95.31
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000404284	0	37	-2.0	-86.96	333.05	5.09	-81.87
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000404285	0	44	-2.0	-83.35	379.00	5.86	-77.49
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000404286	0	30	-2.0	-91.56	308.57	4.40	-87.16
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000404287	0	34	-2.0	-98.38	305.00	3.98	-94.40
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000404288	0	37	-2.0	-101.50	322.14	3.45	-98.05
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000404289	0	33	-2.0	-90.64	311.08	4.50	-86.14
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000404290	0	39	-2.0	-101.89	328.41	6.01	-95.88
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000404291	0	30	-2.0	-96.50	290.75	3.63	-92.87
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000404292	0	41	-2.0	-100.36	356.69	4.43	-95.93
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000404293	0	37	-2.0	-106.72	329.26	4.87	-101.85
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000404294	0	43	-2.0	-104.78	356.99	7.43	-97.35
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000404295	0	42	-2.0	-102.81	352.25	6.61	-96.20
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000404296	0	39	-2.0	-99.19	325.10	6.25	-92.94
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000404297	0	40	-2.0	-104.59	348.78	5.16	-99.43
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000404298	0	35	-3.0	-172.90	326.08	5.21	-167.69
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000404299	0	40	-2.0	-105.23	346.24	6.70	-98.53
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000404300	0	33	-2.0	-94.96	305.03	3.94	-91.02
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000404301	0	39	-2.0	-104.75	340.52	4.39	-100.36
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000404302	0	37	-2.0	-101.22	326.45	3.73	-97.49
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000404303	0	41	-2.0	-88.38	351.98	5.22	-83.16
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000404304	0	33	-2.0	-90.05	326.03	5.46	-84.59
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000404305	0	33	-2.0	-92.72	315.27	5.23	-87.49
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000404306	0	37	-2.0	-85.57	349.08	5.63	-79.94
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000404307	0	40	-2.0	-87.36	353.13	5.78	-81.58
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000404308	0	43	-2.0	-87.04	381.72	6.06	-80.98
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000404309	0	36	-2.0	-91.72	319.06	5.43	-86.29
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000404310	0	46	-2.0	-87.60	395.57	6.72	-80.88
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000404311	0	37	-2.0	-86.62	339.28	5.15	-81.47
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)ON=C2CC)C=C1C(=O)[O-]	REAL300000404312	0	40	-2.0	-105.60	351.12	5.78	-99.82
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000404313	0	33	-2.0	-97.33	308.04	4.49	-92.84
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000404314	0	33	-2.0	-89.68	326.57	5.63	-84.05
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000404315	0	33	-2.0	-86.26	311.40	5.17	-81.09
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000404316	0	33	-2.0	-85.86	314.75	5.30	-80.56
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000404317	0	33	-2.0	-88.08	306.51	4.84	-83.24
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000404318	0	30	-2.0	-89.57	294.23	3.94	-85.63
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000404319	0	33	-2.0	-91.07	304.77	4.68	-86.39
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000404320	0	36	-2.0	-98.01	323.23	5.34	-92.67
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000404321	0	37	-2.0	-90.90	337.99	5.27	-85.63
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000404322	0	33	-2.0	-87.88	303.81	4.68	-83.20
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000404323	0	33	-2.0	-86.06	314.48	5.21	-80.85
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000404324	0	36	-2.0	-93.40	327.79	5.81	-87.59
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000404325	0	41	-2.0	-85.29	365.72	6.22	-79.07
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000404326	0	33	-2.0	-85.59	318.21	5.30	-80.29
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000404327	0	33	-2.0	-89.76	309.18	4.70	-85.06
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000404328	0	35	-2.0	-86.00	326.55	5.28	-80.72
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000404329	0	33	-3.0	-191.65	304.50	3.19	-188.46
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000404329	1	34	-2.0	-99.60	308.06	2.31	-97.29
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000404330	0	36	-2.0	-92.19	324.15	5.57	-86.62
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000404331	0	33	-2.0	-91.10	319.06	5.14	-85.96
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000404332	0	36	-2.0	-97.51	311.31	5.38	-92.13
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000404333	0	36	-2.0	-99.74	323.18	5.26	-94.48
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000404334	0	36	-2.0	-88.75	313.76	5.38	-83.37
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000404335	0	39	-2.0	-103.80	334.94	5.84	-97.96
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000404336	0	35	-2.0	-98.27	328.74	5.88	-92.39
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000404337	0	33	-2.0	-88.95	310.11	4.74	-84.21
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000404338	0	30	-2.0	-86.28	310.70	4.68	-81.60
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000404339	0	39	-2.0	-100.87	332.20	6.03	-94.84
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000404340	0	36	-2.0	-98.88	322.91	5.35	-93.53
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000404341	0	36	-2.0	-97.14	329.27	5.77	-91.37
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000404342	0	36	-2.0	-104.96	322.52	5.34	-99.62
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000404343	0	39	-2.0	-100.52	336.61	5.97	-94.55
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000404344	0	40	-2.0	-102.78	352.45	4.93	-97.85
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000404345	0	36	-2.0	-89.96	323.75	5.83	-84.13
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000404346	0	36	-2.0	-85.15	332.10	5.62	-79.53
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000404347	0	36	-2.0	-98.29	329.57	5.58	-92.71
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000404348	0	33	-2.0	-92.90	319.65	5.22	-87.68
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000404349	0	37	-2.0	-99.65	326.36	4.83	-94.82
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000404350	0	33	-2.0	-88.10	323.95	5.17	-82.93
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000404351	0	37	-2.0	-87.69	343.05	4.89	-82.80
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000404352	0	36	-2.0	-93.67	327.38	5.61	-88.06
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000404353	0	42	-2.0	-97.25	345.59	6.77	-90.48
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000404354	0	37	-2.0	-101.18	338.00	5.28	-95.90
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000404355	0	36	-2.0	-88.60	318.18	5.36	-83.24
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000404356	0	38	-2.0	-93.12	340.86	6.81	-86.31
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000404357	0	36	-2.0	-98.85	317.89	5.44	-93.41
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000404358	0	35	-2.0	-107.17	321.82	6.44	-100.73
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000404359	0	33	-2.0	-104.50	302.01	4.64	-99.86
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000404360	0	36	-2.0	-92.13	318.70	5.22	-86.91
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000404361	0	39	-2.0	-106.76	342.86	6.93	-99.83
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000404362	0	32	-2.0	-96.96	295.34	2.67	-94.29
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000404363	0	37	-2.0	-92.43	326.55	4.40	-88.03
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000404364	0	30	-2.0	-88.89	302.13	3.79	-85.10
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000404365	0	37	-2.0	-96.51	345.76	5.35	-91.16
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000404366	0	36	-2.0	-91.36	345.32	1.85	-89.51
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000404367	0	40	-2.0	-94.48	343.61	6.53	-87.95
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000404368	0	40	-2.0	-97.13	343.80	6.49	-90.64
CCC1=NOC(C)=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000404369	0	36	-2.0	-94.76	324.12	4.79	-89.97
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300000404370	1	45	-2.0	-87.45	395.01	4.60	-82.85
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1	REAL300000404372	0	46	-2.0	-104.82	398.18	7.12	-97.70
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000404375	0	42	-2.0	-111.70	366.70	5.82	-105.88
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000404378	0	38	-2.0	-102.37	351.62	6.60	-95.77
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000404381	0	38	-2.0	-103.89	344.03	6.09	-97.80
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000404383	0	35	-2.0	-100.29	331.73	5.04	-95.25
CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000404386	1	39	-2.0	-104.41	345.20	5.38	-99.03
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000404388	0	38	-2.0	-96.82	347.69	5.71	-91.11
CCCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000404390	1	35	-2.0	-102.16	330.20	5.06	-97.10
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000404396	0	45	-2.0	-112.01	388.99	6.58	-105.43
CCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000404397	0	41	-2.0	-109.25	369.66	6.54	-102.71
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000404399	0	38	-2.0	-100.06	341.59	5.16	-94.90
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000404401	0	42	-2.0	-107.51	367.52	5.11	-102.40
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000404403	1	38	-2.0	-98.53	356.14	6.61	-91.92
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000404406	1	41	-2.0	-97.76	359.26	6.84	-90.92
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000404409	1	38	-2.0	-103.61	347.18	5.90	-97.71
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000404410	1	38	-2.0	-91.57	351.60	6.58	-84.99
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000404412	0	35	-2.0	-95.24	330.81	5.14	-90.10
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000404413	1	38	-2.0	-97.28	344.96	6.09	-91.19
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000404414	0	41	-2.0	-105.27	364.31	6.73	-98.54
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000404415	0	42	-2.0	-95.84	378.86	6.65	-89.19
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000404416	0	38	-2.0	-93.28	344.02	6.09	-87.19
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1	REAL300000404419	1	46	-2.0	-90.25	402.30	7.43	-82.82
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000404420	1	38	-2.0	-95.50	349.37	6.12	-89.38
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000404421	1	40	-2.0	-91.42	366.74	6.69	-84.73
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000404422	0	39	-2.0	-106.14	348.26	3.74	-102.40
CCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000404422	1	39	-2.0	-105.28	347.46	4.53	-100.75
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000404429	1	40	-2.0	-104.25	365.13	7.10	-97.15
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000404430	0	38	-2.0	-95.38	350.31	6.15	-89.23
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000404432	0	41	-2.0	-104.90	360.03	6.62	-98.28
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000404433	0	41	-2.0	-104.12	370.32	7.16	-96.96
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000404434	0	41	-2.0	-111.04	363.57	6.72	-104.32
CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000404439	1	42	-2.0	-105.69	366.57	6.24	-99.45
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1	REAL300000404442	1	47	-2.0	-103.46	387.99	8.16	-95.30
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1	REAL300000404443	1	42	-2.0	-107.41	378.87	6.65	-100.76
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300000404445	0	43	-2.0	-98.17	379.27	8.18	-89.99
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000404447	0	40	-2.0	-113.03	362.31	7.88	-105.15
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000404448	0	38	-2.0	-109.99	342.21	6.05	-103.94
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000404451	0	37	-2.0	-104.09	334.77	4.14	-99.95
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000404452	0	42	-2.0	-97.88	366.76	5.82	-92.06
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000404453	0	35	-2.0	-93.81	338.71	5.00	-88.81
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000404456	0	41	-2.0	-99.99	360.68	6.02	-93.97
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000404457	0	39	-2.0	-91.11	357.80	3.00	-88.11
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000404458	0	32	-2.0	-107.65	305.86	4.44	-103.21
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000404459	0	40	-2.0	-109.02	360.94	5.50	-103.52
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000404460	0	32	-2.0	-97.62	301.31	4.41	-93.21
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000404461	0	32	-2.0	-110.38	301.32	4.41	-105.97
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000404462	0	36	-2.0	-116.14	329.46	4.21	-111.93
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000404463	0	36	-2.0	-97.20	332.78	5.71	-91.49
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000404464	0	35	-2.0	-111.61	317.33	4.94	-106.67
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000404465	0	32	-2.0	-106.01	314.38	5.00	-101.01
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000404466	0	32	-2.0	-106.17	313.83	4.80	-101.37
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000404467	0	32	-2.0	-101.57	326.88	5.37	-96.20
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000404468	0	38	-2.0	-113.26	334.42	5.74	-107.52
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000404469	0	32	-2.0	-107.92	306.79	4.48	-103.44
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000404470	0	38	-2.0	-96.65	344.90	6.00	-90.65
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000404471	0	29	-2.0	-104.72	294.50	3.43	-101.29
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000404472	0	35	-2.0	-111.46	316.75	5.20	-106.26
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000404473	0	36	-2.0	-95.86	332.38	4.69	-91.17
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000404474	0	33	-2.0	-108.60	307.96	3.76	-104.84
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000404475	0	36	-2.0	-111.69	325.52	3.23	-108.46
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000404476	0	32	-2.0	-100.71	310.42	4.09	-96.62
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000404477	0	38	-2.0	-112.78	332.77	5.72	-107.06
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000404478	0	29	-2.0	-106.09	292.97	3.45	-102.64
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000404479	0	40	-2.0	-110.79	359.64	4.22	-106.57
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000404480	0	36	-2.0	-116.33	328.61	4.48	-111.85
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000404481	0	42	-2.0	-115.54	356.56	7.04	-108.50
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000404482	0	41	-2.0	-113.73	355.21	6.43	-107.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1OC	REAL300000404483	0	38	-2.0	-109.48	331.45	6.14	-103.34
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000404484	0	39	-2.0	-116.42	351.75	4.98	-111.44
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000404485	0	34	-3.0	-185.88	329.72	4.98	-180.90
COC1=CC=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000404485	1	35	-2.0	-110.53	329.72	4.92	-105.61
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000404486	0	39	-2.0	-115.85	345.56	6.31	-109.54
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000404487	0	32	-2.0	-104.15	304.32	3.55	-100.60
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000404488	0	38	-2.0	-115.20	343.49	4.19	-111.01
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000404489	0	36	-2.0	-111.04	330.28	3.50	-107.54
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000404490	0	40	-2.0	-96.55	354.24	5.01	-91.54
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000404491	0	32	-2.0	-99.82	328.99	5.26	-94.56
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000404492	0	32	-2.0	-102.54	318.91	5.01	-97.53
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000404493	0	36	-2.0	-94.29	348.42	5.23	-89.06
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000404494	0	39	-2.0	-96.38	352.47	5.39	-90.99
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000404495	0	35	-2.0	-101.81	322.03	5.22	-96.59
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000404496	0	45	-2.0	-96.45	394.92	6.33	-90.12
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000404497	0	36	-2.0	-95.20	338.62	4.75	-90.45
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC)C=C1C(=O)[O-]	REAL300000404498	0	39	-2.0	-117.00	350.47	5.39	-111.61
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000404499	0	32	-2.0	-107.51	311.01	4.29	-103.22
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000404500	0	32	-2.0	-99.71	329.54	5.43	-94.28
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000404501	0	32	-2.0	-94.99	314.37	4.99	-90.00
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000404502	0	32	-2.0	-97.04	305.84	4.45	-92.59
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000404503	0	29	-2.0	-99.52	293.58	3.53	-95.99
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000404504	0	32	-2.0	-101.09	307.73	4.46	-96.63
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000404505	0	35	-2.0	-109.38	327.06	5.11	-104.27
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000404506	0	36	-2.0	-99.69	341.63	5.04	-94.65
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000404507	0	32	-2.0	-97.07	306.78	4.49	-92.58
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000404508	0	32	-2.0	-95.16	313.81	4.80	-90.36
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000404509	0	35	-2.0	-103.48	330.76	5.60	-97.88
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000404510	0	40	-2.0	-93.91	365.06	5.83	-88.08
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000404511	0	32	-2.0	-99.11	312.13	4.51	-94.60
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000404512	0	34	-2.0	-95.15	329.51	5.07	-90.08
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000404513	0	33	-2.0	-110.25	311.03	2.13	-108.12
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000404514	0	35	-2.0	-101.72	323.50	5.19	-96.53
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000404515	0	32	-2.0	-100.57	322.02	4.95	-95.62
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000404516	0	35	-2.0	-106.16	311.35	5.04	-101.12
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000404517	0	35	-2.0	-109.09	326.15	5.07	-104.02
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000404518	0	35	-2.0	-97.73	316.73	5.18	-92.55
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000404519	0	38	-2.0	-113.56	334.78	5.49	-108.07
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000404520	0	34	-2.0	-108.36	327.89	5.49	-102.87
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000404521	0	32	-2.0	-99.38	313.05	4.54	-94.84
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000404522	0	38	-2.0	-110.34	335.79	5.80	-104.54
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000404523	0	35	-2.0	-109.08	322.79	5.01	-104.07
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000404524	0	35	-2.0	-107.86	333.10	5.55	-102.31
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000404525	0	35	-2.0	-114.97	326.36	5.09	-109.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC)C=C1C(=O)[O-]	REAL300000404526	0	38	-2.0	-112.42	335.64	5.58	-106.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC)C=C1CC(=O)[O-]	REAL300000404527	0	39	-2.0	-112.30	351.79	4.54	-107.76
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000404528	0	35	-2.0	-99.50	327.58	5.60	-93.90
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000404529	0	35	-2.0	-94.08	331.43	5.23	-88.85
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000404530	0	35	-2.0	-108.04	332.54	5.37	-102.67
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC)C=C1C(=O)[O-]	REAL300000404531	0	36	-2.0	-109.92	329.27	4.62	-105.30
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000404532	0	44	-2.0	-109.81	366.23	7.26	-102.55
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000404533	0	32	-2.0	-97.97	326.92	4.97	-93.00
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000404534	0	35	-2.0	-103.76	331.18	5.37	-98.39
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000404535	0	41	-2.0	-107.06	350.76	6.53	-100.53
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000404536	0	36	-2.0	-111.59	341.64	5.05	-106.54
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000404537	0	35	-2.0	-97.79	317.32	4.96	-92.83
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000404538	0	37	-2.0	-102.36	344.57	6.61	-95.75
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000404539	0	35	-2.0	-108.60	321.26	5.23	-103.37
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000404540	0	34	-2.0	-117.28	325.06	6.27	-111.01
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000404541	0	32	-2.0	-114.19	304.94	4.44	-109.75
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000404542	0	35	-2.0	-102.00	322.48	4.99	-97.01
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000404543	0	38	-2.0	-118.88	342.36	6.53	-112.35
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000404544	0	31	-2.0	-107.88	298.29	2.48	-105.40
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000404545	0	36	-2.0	-101.93	329.52	4.21	-97.72
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000404546	0	29	-2.0	-98.08	301.42	3.39	-94.69
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000404547	0	39	-2.0	-104.46	347.44	6.29	-98.17
COC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000404548	0	39	-2.0	-106.90	345.40	6.27	-100.63
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2OC)C=C(C(=O)[O-])O1	REAL300000404549	0	35	-2.0	-103.95	323.45	4.40	-99.55
CCCC(=O)NC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000404553	0	40	-2.0	-102.80	376.47	4.11	-98.69
CCOC1=CC=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000404581	0	41	-2.0	-112.33	373.11	7.37	-104.96
CCOC1=CC=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000404606	0	39	-2.0	-111.73	341.88	5.51	-106.22
CN(C1=CC=C2OCOC2=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000404668	0	37	-2.0	-109.81	343.99	5.83	-103.98
CN(C1=CC=C2OCOC2=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000404693	0	35	-2.0	-105.71	316.21	3.87	-101.84
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1	REAL300000404728	0	40	-2.0	-113.76	366.30	6.75	-107.01
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1	REAL300000404729	0	40	-2.0	-103.27	361.74	6.72	-96.55
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1	REAL300000404730	0	40	-2.0	-116.48	361.76	6.71	-109.77
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1	REAL300000404731	0	44	-2.0	-102.23	393.21	8.01	-94.22
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1	REAL300000404732	0	43	-2.0	-117.95	377.78	7.25	-110.70
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1	REAL300000404733	0	40	-2.0	-113.94	367.23	6.78	-107.16
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1	REAL300000404734	0	37	-2.0	-110.71	354.95	5.73	-104.98
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1	REAL300000404735	0	43	-2.0	-116.38	377.20	7.50	-108.88
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1	REAL300000404736	0	41	-2.0	-114.60	368.41	6.07	-108.53
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1	REAL300000404737	0	40	-2.0	-106.50	370.87	6.40	-100.10
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1	REAL300000404738	0	37	-2.0	-112.05	353.41	5.76	-106.29
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1	REAL300000404739	0	40	-2.0	-109.24	364.76	5.85	-103.39
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1	REAL300000404740	0	40	-2.0	-112.66	371.45	6.60	-106.06
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1	REAL300000404741	0	40	-2.0	-102.64	366.29	6.76	-95.88
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1	REAL300000404742	0	37	-2.0	-105.23	354.02	5.84	-99.39
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CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1	REAL300000404751	0	40	-2.0	-120.80	365.39	6.74	-114.06
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1	REAL300000404752	0	39	-2.0	-113.38	358.75	4.77	-108.61
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1	REAL300000404753	0	37	-2.0	-103.63	361.86	5.69	-97.94
CCC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=NN1	REAL300000404754	0	43	-2.0	-107.88	379.76	6.83	-101.05
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)=CC=C12	REAL300000404755	1	41	-2.0	-87.69	370.59	2.88	-84.81
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)=CC2=NN1	REAL300000404755	1	41	-2.0	-97.11	370.06	2.87	-94.24
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C12	REAL300000404756	1	34	-2.0	-103.72	318.67	4.33	-99.39
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C)=NNC2=C1	REAL300000404757	0	42	-2.0	-104.35	373.75	5.39	-98.96
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNC(C)=C2C=C1	REAL300000404757	1	42	-2.0	-113.87	373.22	5.37	-108.50
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C12	REAL300000404758	1	34	-2.0	-94.01	314.11	4.31	-89.70
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C12	REAL300000404759	1	34	-2.0	-106.07	314.13	4.30	-101.77
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC2=NN1	REAL300000404759	1	34	-2.0	-116.63	313.60	4.28	-112.35
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C)=NNC2=C1	REAL300000404760	0	38	-2.0	-110.94	342.27	4.09	-106.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNC(C)=C2C=C1	REAL300000404760	1	38	-2.0	-121.00	341.74	4.08	-116.92
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C12	REAL300000404761	1	38	-2.0	-93.59	345.58	5.59	-88.00
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000404762	1	37	-2.0	-107.16	330.15	4.83	-102.33
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C12	REAL300000404763	0	34	-2.0	-101.37	327.20	4.87	-96.50
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC2=NN1	REAL300000404763	1	34	-2.0	-111.13	326.67	4.86	-106.27
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C12	REAL300000404764	1	34	-2.0	-102.03	326.64	4.69	-97.34
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC2=NN1	REAL300000404764	1	34	-2.0	-112.33	326.10	4.68	-107.65
CC1=NNC2=CC([N-]S(=O)(=O)C3=C(C)C(C)=CC(C(=O)[O-])=C3)=CC=C12	REAL300000404765	1	40	-2.0	-108.31	346.53	5.62	-102.69
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C12	REAL300000404766	0	34	-2.0	-102.90	319.61	4.36	-98.54
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC2=NN1	REAL300000404766	1	34	-2.0	-113.05	319.08	4.35	-108.70
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C12	REAL300000404767	1	40	-2.0	-92.61	357.70	5.89	-86.72
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC2=NN1	REAL300000404767	1	40	-2.0	-102.21	357.16	5.86	-96.35
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C12	REAL300000404768	0	31	-2.0	-100.49	307.32	3.32	-97.17
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC2=NN1	REAL300000404768	1	31	-2.0	-110.82	306.78	3.30	-107.52
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C12	REAL300000404769	1	37	-2.0	-106.47	329.56	5.09	-101.38
CC1=NNC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000404771	0	35	-2.0	-104.54	320.78	3.65	-100.89
CC1=C2C=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC2=NN1	REAL300000404771	1	35	-2.0	-115.05	320.25	3.63	-111.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(C)=NNC3=C2)=C1	REAL300000404773	0	34	-2.0	-96.67	323.24	3.98	-92.69
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=NNC(C)=C3C=C2)=C1	REAL300000404773	1	34	-2.0	-106.95	322.72	3.97	-102.98
CC1=NNC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C12	REAL300000404775	0	31	-2.0	-101.83	305.78	3.34	-98.49
CC1=C2C=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC2=NN1	REAL300000404775	1	31	-2.0	-112.25	305.25	3.32	-108.93
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C)=NNC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000404776	1	42	-2.0	-106.34	372.44	4.11	-102.23
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)=CC=C12	REAL300000404778	1	44	-2.0	-110.21	369.39	6.91	-103.30
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)=CC=C12	REAL300000404779	1	43	-2.0	-108.56	368.03	6.32	-102.24
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)=CC2=NN1	REAL300000404779	1	43	-2.0	-118.19	367.50	6.30	-111.89
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C)=NNC2=C1	REAL300000404780	1	40	-2.0	-104.84	344.28	6.03	-98.81
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C)=NNC2=C1	REAL300000404781	0	41	-2.0	-111.90	364.56	4.86	-107.04
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNC(C)=C2C=C1	REAL300000404781	1	41	-2.0	-122.85	364.03	4.83	-118.02
CC1=NNC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C12	REAL300000404782	0	37	-2.0	-110.01	345.04	4.86	-105.15
CC1=C2C=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC2=NN1	REAL300000404782	1	37	-2.0	-114.81	344.56	4.84	-109.97
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C12	REAL300000404782	1	36	-3.0	-180.85	342.55	4.86	-175.99
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC2=NN1	REAL300000404782	1	36	-3.0	-193.44	342.00	4.84	-188.60
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C12	REAL300000404783	1	41	-2.0	-110.56	358.38	6.19	-104.37
CC1=NNC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C12	REAL300000404784	0	34	-2.0	-99.93	317.14	3.44	-96.49
CC1=C2C=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC2=NN1	REAL300000404784	1	34	-2.0	-109.55	316.61	3.42	-106.13
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)=CC=C12	REAL300000404785	1	40	-2.0	-110.88	356.30	4.07	-106.81
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC=C12	REAL300000404786	0	38	-2.0	-107.42	343.12	3.40	-104.02
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC2=NN1	REAL300000404786	1	38	-2.0	-118.08	342.58	3.37	-114.71
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=CC=C12	REAL300000404788	0	34	-2.0	-98.27	331.73	4.90	-93.37
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=CC2=NN1	REAL300000404788	1	34	-2.0	-107.70	331.20	4.87	-102.83
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)=CC=C12	REAL300000404789	1	38	-2.0	-90.85	361.23	5.12	-85.73
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=CC=C12	REAL300000404791	1	37	-2.0	-97.34	334.84	5.12	-92.22
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=CC2=NN1	REAL300000404791	1	37	-2.0	-106.75	334.32	5.10	-101.65
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=CC=C12	REAL300000404792	1	38	-2.0	-91.90	351.42	4.64	-87.26
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=CC2=NN1	REAL300000404792	1	38	-2.0	-101.34	350.89	4.63	-96.71
CC1=NNC2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C12	REAL300000404794	0	34	-2.0	-102.94	323.82	4.19	-98.75
CC1=C2C=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC2=NN1	REAL300000404794	1	34	-2.0	-112.65	322.20	4.19	-108.46
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C12	REAL300000404795	0	34	-2.0	-91.64	327.18	4.86	-86.78
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC2=NN1	REAL300000404795	1	34	-2.0	-101.66	326.65	4.85	-96.81
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C12	REAL300000404796	1	34	-2.0	-93.64	318.66	4.34	-89.30
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC2=NN1	REAL300000404796	1	34	-2.0	-103.50	318.12	4.33	-99.17
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C12	REAL300000404797	0	31	-2.0	-95.56	306.41	3.43	-92.13
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC2=NN1	REAL300000404797	1	31	-2.0	-105.74	305.87	3.41	-102.33
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C12	REAL300000404798	1	34	-2.0	-97.07	320.54	4.36	-92.71
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC2=NN1	REAL300000404798	1	34	-2.0	-107.37	320.00	4.35	-103.02
CC1=NNC2=CC([N-]S(=O)(=O)C3=C(F)C(C)=CC(C(=O)[O-])=C3)=CC=C12	REAL300000404799	0	37	-2.0	-104.27	339.89	5.00	-99.27
CC1=C2C=CC([N-]S(=O)(=O)C3=C(F)C(C)=CC(C(=O)[O-])=C3)=CC2=NN1	REAL300000404799	1	37	-2.0	-114.41	339.35	4.99	-109.42
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C)=NNC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000404800	0	38	-2.0	-96.36	354.44	4.93	-91.43
COC1=CC(S(=O)(=O)[N-]C2=CC3=NNC(C)=C3C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000404800	1	38	-2.0	-106.37	353.91	4.90	-101.47
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C12	REAL300000404801	0	34	-2.0	-93.47	319.59	4.37	-89.10
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC2=NN1	REAL300000404801	1	34	-2.0	-103.78	319.06	4.36	-99.42
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C12	REAL300000404802	1	34	-2.0	-91.58	326.64	4.70	-86.88
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)=CC=C12	REAL300000404803	1	37	-2.0	-98.90	343.58	5.51	-93.39
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)=CC2=NN1	REAL300000404803	1	37	-2.0	-108.44	343.06	5.49	-102.95
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)=CC=C12	REAL300000404804	1	42	-2.0	-90.39	377.88	5.71	-84.68
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)=CC2=NN1	REAL300000404804	1	42	-2.0	-99.80	377.34	5.70	-94.10
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C12	REAL300000404805	1	34	-2.0	-95.39	324.95	4.39	-91.00
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC2=NN1	REAL300000404805	1	34	-2.0	-105.44	324.42	4.38	-101.06
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC=C12	REAL300000404806	0	36	-2.0	-91.34	342.32	4.97	-86.37
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC2=NN1	REAL300000404806	1	36	-2.0	-101.47	341.79	4.95	-96.52
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C12	REAL300000404807	0	35	-2.0	-105.32	323.85	2.00	-103.32
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC2=NN1	REAL300000404807	1	35	-2.0	-114.59	323.31	2.00	-112.59
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C12	REAL300000404808	1	37	-2.0	-96.99	336.30	5.08	-91.91
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC2=NN1	REAL300000404808	1	37	-2.0	-106.64	335.77	5.05	-101.59
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=CC=C12	REAL300000404809	1	34	-2.0	-96.76	334.84	4.83	-91.93
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=CC2=NN1	REAL300000404809	1	34	-2.0	-106.90	334.30	4.82	-102.08
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C12	REAL300000404810	1	37	-2.0	-102.74	324.20	4.94	-97.80
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C(C)=C3)=CC=C12	REAL300000404811	1	37	-2.0	-105.00	338.97	4.95	-100.05
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C(C)=C3)=CC=C12	REAL300000404813	1	40	-2.0	-110.30	351.63	5.50	-104.80
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=CC=C12	REAL300000404814	0	36	-2.0	-104.81	340.69	5.39	-99.42
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=CC2=NN1	REAL300000404814	1	36	-2.0	-114.75	340.15	5.38	-109.37
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C12	REAL300000404815	0	34	-2.0	-94.77	325.89	4.42	-90.35
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC2=NN1	REAL300000404815	1	34	-2.0	-104.84	325.36	4.41	-100.43
CC1=NNC2=CC([N-]S(=O)(=O)C3=C(F)C=C(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000404817	0	37	-2.0	-105.18	339.45	4.99	-100.19
CC1=C2C=CC([N-]S(=O)(=O)C3=C(F)C=C(C)C(C(=O)[O-])=C3)=CC2=NN1	REAL300000404817	1	37	-2.0	-115.32	338.91	4.98	-110.34
CC1=NNC2=CC([N-]S(=O)(=O)C3=C(Cl)C(C)=CC(C(=O)[O-])=C3)=CC=C12	REAL300000404818	0	37	-2.0	-103.08	345.89	5.43	-97.65
CC1=C2C=CC([N-]S(=O)(=O)C3=C(Cl)C(C)=CC(C(=O)[O-])=C3)=CC2=NN1	REAL300000404818	1	37	-2.0	-112.94	345.36	5.42	-107.52
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC=C12	REAL300000404819	0	37	-2.0	-111.34	339.15	4.99	-106.35
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC2=NN1	REAL300000404819	1	37	-2.0	-122.94	338.61	4.98	-117.96
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NNC3=C2)C=C1C(=O)[O-]	REAL300000404820	1	40	-2.0	-107.90	348.10	5.48	-102.42
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)=CC=C12	REAL300000404822	1	37	-2.0	-95.94	340.39	5.48	-90.46
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)=CC2=NN1	REAL300000404822	1	37	-2.0	-107.59	344.14	5.54	-102.05
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)=CC=C12	REAL300000404823	1	37	-2.0	-90.69	344.26	5.10	-85.59
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C(C)=C3)=CC=C12	REAL300000404824	1	37	-2.0	-103.73	345.36	5.26	-98.47
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C(C)=C3)=CC2=NN1	REAL300000404824	1	37	-2.0	-114.11	344.84	5.24	-108.87
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NNC3=C2)C=C1C(=O)[O-]	REAL300000404825	0	38	-2.0	-105.79	342.08	4.51	-101.28
CCN1C=C(S(=O)(=O)[N-]C2=CC3=NNC(C)=C3C=C2)C=C1C(=O)[O-]	REAL300000404825	1	38	-2.0	-116.32	341.62	4.50	-111.82
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000404827	1	37	-2.0	-100.62	347.87	5.37	-95.25
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)=CC2=NN1	REAL300000404827	1	37	-2.0	-111.12	347.34	5.35	-105.77
CC1=NNC2=CC([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)=CC=C12	REAL300000404828	0	43	-2.0	-102.93	363.57	6.43	-96.50
CC1=C2C=CC([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)=CC2=NN1	REAL300000404828	1	43	-2.0	-112.23	363.04	6.42	-105.81
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NNC3=C2)C=C1C(=O)[O-]	REAL300000404829	0	38	-2.0	-106.94	354.46	4.94	-102.00
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC3=NNC(C)=C3C=C2)C=C1C(=O)[O-]	REAL300000404829	1	38	-2.0	-116.64	353.92	4.91	-111.73
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C12	REAL300000404830	1	37	-2.0	-94.08	330.14	4.84	-89.24
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])=CC=C12	REAL300000404831	0	39	-2.0	-99.38	357.40	6.49	-92.89
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])=CC2=NN1	REAL300000404831	1	39	-2.0	-110.45	356.87	6.47	-103.98
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=CC=C12	REAL300000404833	0	36	-2.0	-113.78	337.88	6.16	-107.62
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=CC2=NN1	REAL300000404833	1	36	-2.0	-125.35	337.33	6.14	-119.21
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C12	REAL300000404834	0	34	-2.0	-110.60	317.79	4.33	-106.27
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC2=NN1	REAL300000404834	1	34	-2.0	-122.10	317.26	4.31	-117.79
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000404835	1	37	-2.0	-98.75	339.07	4.98	-93.77
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=CC2=NN1	REAL300000404835	1	37	-2.0	-109.28	338.54	4.96	-104.32
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C12	REAL300000404836	1	40	-2.0	-114.27	355.17	6.43	-107.84
CC1=C2C=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC2=NN1	REAL300000404836	1	40	-2.0	-124.96	354.63	6.40	-118.56
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C12	REAL300000404837	0	33	-2.0	-103.68	310.35	2.43	-101.25
CC1=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC2=NN1	REAL300000404837	1	33	-2.0	-112.35	310.59	2.35	-110.00
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C)=NNC2=C1	REAL300000404838	0	38	-2.0	-98.07	342.33	4.10	-93.97
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=NNC(C)=C2C=C1	REAL300000404838	1	38	-2.0	-108.28	341.80	4.08	-104.20
CC1=NNC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C12	REAL300000404839	0	31	-2.0	-93.93	314.28	3.27	-90.66
CC1=C2C=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC2=NN1	REAL300000404839	1	31	-2.0	-103.74	313.75	3.26	-100.48
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C12	REAL300000404840	1	41	-2.0	-100.23	360.26	6.19	-94.04
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC2=NN1	REAL300000404840	1	41	-2.0	-109.99	359.72	6.16	-103.83
CC1=NNC2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C12	REAL300000404841	1	41	-2.0	-104.22	359.57	6.19	-98.03
CC1=C2C=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC2=NN1	REAL300000404841	1	41	-2.0	-115.69	359.04	6.15	-109.54
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NNC3=C2)C=C(C(=O)[O-])O1	REAL300000404842	0	37	-2.0	-99.75	336.27	4.29	-95.46
CCC1=C(S(=O)(=O)[N-]C2=CC3=NNC(C)=C3C=C2)C=C(C(=O)[O-])O1	REAL300000404842	1	37	-2.0	-109.11	335.73	4.27	-104.84
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1F	REAL300000404845	1	37	-2.0	-105.73	342.32	3.34	-102.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1F	REAL300000404849	1	33	-2.0	-112.15	310.83	2.05	-110.10
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C1	REAL300000404853	1	29	-2.0	-102.74	295.78	2.82	-99.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C(Cl)C=C1Cl	REAL300000404855	1	29	-2.0	-98.93	308.27	3.20	-95.73
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C1	REAL300000404857	1	29	-2.0	-104.65	288.17	2.31	-102.34
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C1	REAL300000404859	0	26	-2.0	-102.40	275.89	1.27	-101.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C(Br)S1	REAL300000404863	1	26	-2.0	-98.48	292.92	2.04	-96.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C1	REAL300000404866	1	29	-2.0	-99.02	291.81	1.94	-97.08
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1F	REAL300000404874	1	36	-2.0	-113.68	333.13	2.82	-110.86
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(O)=C2F)=C1	REAL300000404875	0	32	-2.0	-108.94	311.17	2.74	-106.20
CC1=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)C=C(C(=O)[O-])O1	REAL300000404877	1	29	-2.0	-101.91	285.71	1.39	-100.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C1	REAL300000404879	1	33	-2.0	-110.74	311.62	1.33	-109.41
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C1	REAL300000404891	1	29	-2.0	-97.18	310.93	3.27	-93.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)S1	REAL300000404895	1	26	-2.0	-97.80	274.97	1.38	-96.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C1F	REAL300000404897	1	32	-2.0	-106.20	308.46	2.95	-103.25
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C(Cl)C=C1C(=O)[O-]	REAL300000404898	1	33	-2.0	-98.07	323.00	2.87	-95.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)C(F)=C1	REAL300000404899	1	29	-2.0	-95.46	288.17	2.32	-93.14
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(O)=C2F)=C1	REAL300000404906	0	30	-2.0	-106.66	290.66	0.80	-105.86
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C1	REAL300000404914	1	29	-2.0	-96.90	294.44	2.38	-94.52
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)S1	REAL300000404915	0	26	-2.0	-95.66	295.28	1.93	-93.73
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)C=C1C(=O)[O-]	REAL300000404917	1	32	-2.0	-107.09	308.02	2.94	-104.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C1Cl	REAL300000404918	1	32	-2.0	-104.82	314.47	3.39	-101.43
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C1	REAL300000404919	1	32	-2.0	-114.48	307.74	2.94	-111.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C(F)C(Cl)=C1F	REAL300000404928	1	29	-2.0	-95.32	308.32	2.81	-92.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)C(OC(F)(F)F)=C1	REAL300000404929	1	33	-2.0	-94.99	327.41	2.54	-92.45
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)C([N+](=O)[O-])=C1	REAL300000404934	0	34	-2.0	-100.14	323.42	4.41	-95.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C1[N+](=O)[O-]	REAL300000404936	0	31	-2.0	-117.02	306.43	4.10	-112.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C1F	REAL300000404937	1	29	-2.0	-113.05	286.34	2.28	-110.77
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C1	REAL300000404940	0	28	-2.0	-104.39	279.69	0.31	-104.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1F	REAL300000404941	1	33	-2.0	-99.98	310.91	2.05	-97.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C(Cl)O1	REAL300000404942	0	26	-2.0	-95.64	282.81	1.23	-94.41
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)=C1	REAL300000404944	0	32	-2.0	-99.83	326.05	-0.72	-100.55
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2F)C=C(C(=O)[O-])O1	REAL300000404947	1	32	-2.0	-101.42	304.82	2.24	-99.18
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1S(C)(=O)=O	REAL300000404948	1	37	-2.0	-112.90	342.37	3.19	-109.71
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1S(C)(=O)=O	REAL300000404949	1	37	-2.0	-101.88	337.83	3.17	-98.71
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1S(C)(=O)=O	REAL300000404950	1	37	-2.0	-113.54	337.87	3.16	-110.38
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)C(C)=C1	REAL300000404951	0	41	-2.0	-121.40	365.58	2.92	-118.48
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1S(C)(=O)=O	REAL300000404952	1	41	-2.0	-101.36	369.30	4.46	-96.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000404953	1	40	-2.0	-116.78	353.86	3.69	-113.09
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1S(C)(=O)=O	REAL300000404954	1	43	-2.0	-119.16	370.12	4.47	-114.69
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1S(C)(=O)=O	REAL300000404955	0	37	-2.0	-111.49	343.35	3.22	-108.27
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1S(C)(=O)=O	REAL300000404956	1	43	-2.0	-100.87	381.40	4.75	-96.12
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1S(C)(=O)=O	REAL300000404957	0	34	-2.0	-109.48	330.63	2.14	-107.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)C(C)=C1	REAL300000404958	1	40	-2.0	-116.97	352.87	3.90	-113.07
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC=C1S(C)(=O)=O	REAL300000404959	1	41	-2.0	-100.13	368.92	3.45	-96.68
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1S(C)(=O)=O	REAL300000404960	0	38	-2.0	-112.07	344.49	2.51	-109.56
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CC=C1S(C)(=O)=O	REAL300000404961	1	41	-2.0	-115.09	362.08	1.98	-113.11
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(C)=C2)=C1	REAL300000404962	0	37	-2.0	-104.49	346.56	2.81	-101.68
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000404963	1	43	-2.0	-118.31	368.43	4.46	-113.85
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1S(C)(=O)=O	REAL300000404964	0	34	-2.0	-110.97	329.52	2.19	-108.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000404965	1	41	-2.0	-121.36	365.12	3.23	-118.13
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)C(C)=C1	REAL300000404966	1	43	-2.0	-113.32	368.01	4.87	-108.45
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000404967	0	37	-2.0	-107.82	340.88	2.29	-105.53
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(C)=C2)=C1	REAL300000404968	0	41	-2.0	-114.73	366.40	2.21	-112.52
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000404969	0	37	-2.0	-113.04	346.04	3.02	-110.02
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1S(C)(=O)=O	REAL300000404970	1	37	-2.0	-101.11	342.36	3.20	-97.91
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1S(C)(=O)=O	REAL300000404971	0	34	-2.0	-103.85	330.14	2.29	-101.56
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1S(C)(=O)=O	REAL300000404972	0	37	-2.0	-106.11	343.82	3.19	-102.92
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1S(C)(=O)=O	REAL300000404973	0	37	-2.0	-101.09	342.88	3.19	-97.90
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1S(C)(=O)=O	REAL300000404974	0	38	-2.0	-114.13	347.59	0.87	-113.26
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1S(C)(=O)=O	REAL300000404974	1	38	-2.0	-117.72	346.55	1.71	-116.01
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1S(C)(=O)=O	REAL300000404975	1	40	-2.0	-105.77	360.00	3.94	-101.83
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1S(C)(=O)=O	REAL300000404976	1	40	-2.0	-111.14	347.95	3.80	-107.34
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1S(C)(=O)=O	REAL300000404977	1	40	-2.0	-102.42	352.83	3.90	-98.52
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1S(C)(=O)=O	REAL300000404978	1	43	-2.0	-118.08	374.12	4.29	-113.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000404979	1	43	-2.0	-113.89	371.73	4.52	-109.37
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000404980	1	43	-2.0	-117.44	372.08	4.35	-113.09
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000404981	0	41	-2.0	-114.87	365.85	3.37	-111.50
CC1=CC(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000404982	1	40	-2.0	-102.09	353.84	3.70	-98.39
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1S(C)(=O)=O	REAL300000404983	0	37	-2.0	-117.28	341.10	3.16	-114.12
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1S(C)(=O)=O	REAL300000404984	0	36	-2.0	-112.89	333.66	1.26	-111.63
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(S(C)(=O)=O)C(C)=C1	REAL300000404985	0	41	-2.0	-106.34	365.64	2.92	-103.42
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1S(C)(=O)=O	REAL300000404986	0	34	-2.0	-101.76	338.02	2.13	-99.63
CCC1=C(S(=O)(=O)[N-]C2=CC=C(S(C)(=O)=O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000404987	0	40	-2.0	-107.68	360.00	3.14	-104.54
CN(C1=CC=CC(S(C)(=O)=O)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000405014	0	38	-2.0	-112.47	351.88	2.49	-109.98
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C	REAL300000405028	1	44	-2.0	-90.90	380.37	5.51	-85.39
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1C	REAL300000405030	0	45	-2.0	-108.95	383.50	8.02	-100.93
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=C1C	REAL300000405031	0	37	-2.0	-105.17	340.28	7.63	-97.54
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C	REAL300000405033	1	37	-2.0	-110.44	323.88	6.92	-103.52
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1C	REAL300000405034	0	41	-2.0	-116.24	352.01	6.72	-109.52
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=C1C	REAL300000405035	1	37	-2.0	-105.79	340.15	7.42	-98.37
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C	REAL300000405038	0	37	-2.0	-105.98	336.93	7.50	-98.48
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000405039	1	37	-2.0	-106.14	336.42	7.32	-98.82
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=C1C	REAL300000405040	0	37	-2.0	-101.41	349.45	7.87	-93.54
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000405042	0	37	-2.0	-107.78	329.34	6.99	-100.79
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C	REAL300000405043	1	43	-2.0	-96.37	367.47	8.52	-87.85
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000405044	0	34	-2.0	-104.45	317.05	5.94	-98.51
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000405047	1	38	-2.0	-108.74	330.52	6.27	-102.47
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C	REAL300000405049	0	37	-2.0	-100.53	333.03	6.61	-93.92
CCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C	REAL300000405051	1	34	-2.0	-105.99	315.51	5.96	-100.03
CCC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1C	REAL300000405057	0	44	-2.0	-116.86	374.30	7.49	-109.37
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000405058	0	40	-2.0	-108.51	358.83	7.35	-101.16
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000405058	1	39	-3.0	-186.24	352.31	7.49	-178.75
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C	REAL300000405060	0	37	-2.0	-103.93	326.87	6.06	-97.87
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C	REAL300000405062	0	41	-2.0	-111.46	352.90	6.02	-105.44
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000405064	1	37	-2.0	-99.80	351.58	7.78	-92.02
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C	REAL300000405065	0	37	-2.0	-102.44	341.47	7.52	-94.92
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=C1C	REAL300000405068	1	47	-2.0	-94.72	403.61	8.18	-86.54
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C	REAL300000405069	1	40	-2.0	-101.54	344.62	7.74	-93.80
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C	REAL300000405071	1	41	-2.0	-95.03	361.17	7.27	-87.76
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C	REAL300000405073	1	37	-2.0	-107.56	332.46	6.82	-100.74
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C1C	REAL300000405074	0	37	-2.0	-99.50	352.13	7.95	-91.55
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000405075	1	37	-2.0	-94.92	336.96	7.49	-87.43
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=C1C	REAL300000405076	1	37	-2.0	-94.35	340.31	7.62	-86.73
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000405077	1	37	-2.0	-96.77	328.39	6.96	-89.81
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000405078	0	34	-2.0	-99.25	316.13	6.05	-93.20
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000405079	1	37	-2.0	-101.01	330.32	6.99	-94.02
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C	REAL300000405080	0	40	-2.0	-109.29	349.67	7.63	-101.66
CCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000405081	0	41	-2.0	-99.57	364.19	7.54	-92.03
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000405082	0	37	-2.0	-97.04	329.37	7.00	-90.04
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C	REAL300000405084	1	40	-2.0	-103.33	353.36	8.13	-95.20
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C	REAL300000405085	1	45	-2.0	-93.66	387.64	8.34	-85.32
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000405087	1	37	-2.0	-98.92	334.73	7.02	-91.90
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C	REAL300000405088	1	39	-2.0	-95.01	352.10	7.60	-87.41
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C	REAL300000405089	0	38	-2.0	-110.25	333.58	4.64	-105.61
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C	REAL300000405089	1	38	-2.0	-105.38	322.59	5.53	-99.85
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C	REAL300000405090	1	40	-2.0	-101.42	346.08	7.71	-93.71
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000405091	1	37	-2.0	-100.51	344.61	7.46	-93.05
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300000405096	1	39	-2.0	-108.11	350.43	8.01	-100.10
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000405097	0	37	-2.0	-99.19	335.67	7.05	-92.14
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C	REAL300000405099	0	40	-2.0	-109.07	345.36	7.53	-101.54
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C	REAL300000405100	0	40	-2.0	-107.78	355.67	8.06	-99.72
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C	REAL300000405101	0	40	-2.0	-115.39	348.95	7.62	-107.77
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C	REAL300000405104	1	40	-2.0	-100.36	354.45	8.19	-92.17
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000405106	1	40	-2.0	-107.91	355.13	7.88	-100.03
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1C	REAL300000405107	1	37	-2.0	-103.00	345.20	7.54	-95.46
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1C	REAL300000405108	1	41	-2.0	-110.06	351.90	7.14	-102.92
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=C1C	REAL300000405110	0	37	-2.0	-97.71	349.50	7.48	-90.23
CCC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C	REAL300000405112	1	46	-2.0	-107.06	373.33	9.06	-98.00
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1C	REAL300000405113	1	41	-2.0	-111.54	364.19	7.55	-103.99
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C	REAL300000405115	0	42	-2.0	-102.99	367.18	9.12	-93.87
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C	REAL300000405117	0	39	-2.0	-117.68	347.60	8.77	-108.91
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000405118	0	37	-2.0	-114.56	327.49	6.95	-107.61
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000405119	1	40	-2.0	-102.93	348.85	7.60	-95.33
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C	REAL300000405120	1	43	-2.0	-119.01	364.95	9.05	-109.96
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000405121	0	36	-2.0	-108.30	321.47	5.10	-103.20
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1C	REAL300000405122	0	41	-2.0	-102.04	352.11	6.72	-95.32
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000405123	0	34	-2.0	-97.62	324.01	5.91	-91.71
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CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C	REAL300000405125	1	44	-2.0	-108.08	369.35	8.81	-99.27
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000405126	0	40	-2.0	-103.87	346.01	6.91	-96.96
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O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C2=CC=CC=N2)C3)=C1	REAL300000405128	1	43	-2.0	-118.36	377.78	6.88	-111.48
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C2=CC=CC=N2)C3)C=C1C(=O)[O-]	REAL300000405129	0	44	-2.0	-109.88	381.17	5.32	-104.56
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C2=CC=CC=N2)C3)C=C(C(=O)[O-])O1	REAL300000405130	0	43	-2.0	-111.02	380.75	6.03	-104.99
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CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=NN1CC(C)C	REAL300000405181	0	47	-2.0	-91.63	410.17	4.22	-87.41
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405182	0	40	-2.0	-108.23	358.24	5.67	-102.56
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CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1CC(C)C	REAL300000405184	0	40	-2.0	-98.25	347.32	5.19	-93.06
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405185	0	40	-2.0	-110.74	346.07	5.12	-105.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(CC(C)C)N=C1	REAL300000405186	0	44	-2.0	-116.63	381.86	5.44	-111.19
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=NN1CC(C)C	REAL300000405187	0	44	-2.0	-97.95	377.52	6.44	-91.51
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405188	0	43	-2.0	-112.13	363.36	5.70	-106.43
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=NN1CC(C)C	REAL300000405189	0	40	-2.0	-106.69	366.78	6.20	-100.49
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405190	0	40	-2.0	-106.62	366.21	6.03	-100.59
CC1=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405191	0	46	-2.0	-113.99	386.82	6.97	-107.02
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=NN1CC(C)C	REAL300000405192	0	40	-2.0	-108.28	359.19	5.69	-102.59
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=NN1CC(C)C	REAL300000405193	0	46	-2.0	-97.14	396.38	7.20	-89.94
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1CC(C)C	REAL300000405194	0	37	-2.0	-105.02	339.25	4.16	-100.86
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NN1CC(C)C	REAL300000405195	0	43	-2.0	-112.32	362.78	5.96	-106.36
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=NN1CC(C)C	REAL300000405196	0	44	-2.0	-96.30	384.78	5.92	-90.38
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405197	0	41	-2.0	-109.10	353.99	4.54	-104.56
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=NN1CC(C)C	REAL300000405198	0	44	-2.0	-112.90	376.59	4.45	-108.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)N(CC(C)C)N=C2)=C1	REAL300000405199	0	40	-2.0	-101.19	356.45	4.85	-96.34
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405200	0	46	-2.0	-113.30	385.16	6.96	-106.34
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405201	0	37	-2.0	-106.44	344.43	4.66	-101.78
COC1=CC(S(=O)(=O)[N-]C2=C(C)N(CC(C)C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000405202	0	48	-2.0	-110.91	405.68	5.00	-105.91
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000405203	0	44	-2.0	-116.41	380.10	5.69	-110.72
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=NN1CC(C)C	REAL300000405204	0	50	-2.0	-116.39	401.31	7.77	-108.62
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=NN1CC(C)C	REAL300000405205	0	49	-2.0	-114.45	399.97	7.15	-107.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(CC(C)C)N=C1	REAL300000405206	0	46	-2.0	-110.47	382.93	7.34	-103.13
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(CC(C)C)N=C1	REAL300000405207	0	47	-2.0	-116.63	396.50	5.70	-110.93
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405208	0	42	-3.0	-185.38	382.11	6.20	-179.18
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=NN1CC(C)C	REAL300000405209	0	47	-2.0	-116.32	397.96	7.54	-108.78
CC1=C(S(=O)(=O)[N-]C2=C(C)N(CC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000405210	0	40	-2.0	-105.27	350.46	4.33	-100.94
CC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405211	0	46	-2.0	-115.85	389.52	4.95	-110.90
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=NN1CC(C)C	REAL300000405212	0	44	-2.0	-111.55	381.77	4.72	-106.83
CC1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=NN1CC(C)C	REAL300000405213	0	48	-2.0	-97.17	398.98	5.73	-91.44
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=NN1CC(C)C	REAL300000405214	0	40	-2.0	-103.64	363.66	5.73	-97.91
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=NN1CC(C)C	REAL300000405215	0	47	-2.0	-96.80	403.96	6.60	-90.20
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=NN1CC(C)C	REAL300000405216	0	43	-2.0	-102.57	373.52	6.44	-96.13
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=NN1CC(C)C	REAL300000405217	0	44	-2.0	-95.77	391.00	5.98	-89.79
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000405218	0	47	-2.0	-117.21	395.21	6.12	-111.09
CC1=C(S(=O)(=O)[N-]C2=C(C)N(CC(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000405219	0	40	-2.0	-108.64	354.69	5.03	-103.61
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=NN1CC(C)C	REAL300000405220	0	40	-2.0	-95.54	366.76	6.21	-89.33
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=NN1CC(C)C	REAL300000405221	0	40	-2.0	-97.65	351.87	5.22	-92.43
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1CC(C)C	REAL300000405222	0	37	-2.0	-99.92	339.60	4.30	-95.62
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405223	0	40	-2.0	-101.65	359.23	5.68	-95.97
CC1=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405224	0	43	-2.0	-110.04	371.82	5.83	-104.21
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=NN1CC(C)C	REAL300000405225	0	40	-2.0	-97.37	359.18	5.71	-91.66
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=NN1CC(C)C	REAL300000405226	0	40	-2.0	-95.81	359.84	5.57	-90.24
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=NN1CC(C)C	REAL300000405227	0	43	-2.0	-104.38	382.25	6.83	-97.55
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=NN1CC(C)C	REAL300000405228	0	48	-2.0	-94.64	409.80	6.55	-88.09
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405229	0	40	-2.0	-99.59	358.17	5.26	-94.33
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=NN1CC(C)C	REAL300000405230	0	42	-2.0	-95.60	374.26	5.79	-89.81
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=NN1CC(C)C	REAL300000405231	0	41	-2.0	-111.35	363.43	3.35	-108.00
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1CC(C)C	REAL300000405232	0	43	-2.0	-102.09	374.98	6.40	-95.69
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405233	0	40	-2.0	-101.15	368.05	5.70	-95.45
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NN1CC(C)C	REAL300000405234	0	43	-2.0	-106.15	363.75	6.27	-99.88
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)C=NN1CC(C)C	REAL300000405235	0	43	-2.0	-109.65	378.54	6.29	-103.36
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NN1CC(C)C	REAL300000405236	0	43	-2.0	-98.49	368.21	6.39	-92.10
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)C=NN1CC(C)C	REAL300000405237	0	46	-2.0	-114.21	380.22	6.24	-107.97
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405238	0	42	-2.0	-108.82	379.37	6.71	-102.11
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=NN1CC(C)C	REAL300000405239	0	40	-2.0	-99.79	364.54	5.75	-94.04
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=NN1CC(C)C	REAL300000405240	0	46	-2.0	-110.38	388.20	7.02	-103.36
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405241	0	43	-2.0	-110.69	378.12	6.32	-104.37
CC1=C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405242	0	43	-2.0	-108.80	377.85	6.26	-102.54
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=NN1CC(C)C	REAL300000405243	0	43	-2.0	-115.05	372.37	5.87	-109.18
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000405244	0	46	-2.0	-112.95	381.66	6.36	-106.59
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(CC(C)C)N=C2)C=C1CC(=O)[O-]	REAL300000405245	0	47	-2.0	-111.98	404.18	5.76	-106.22
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=NN1CC(C)C	REAL300000405246	0	43	-2.0	-99.77	379.07	6.81	-92.96
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)C=NN1CC(C)C	REAL300000405247	0	43	-2.0	-108.46	384.93	6.60	-101.86
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000405248	0	44	-2.0	-110.33	375.38	5.40	-104.93
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=NN1CC(C)C	REAL300000405249	0	52	-2.0	-110.15	417.96	8.49	-101.66
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405250	0	43	-2.0	-103.95	377.22	6.15	-97.80
CC1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405251	0	49	-2.0	-108.08	395.51	7.26	-100.82
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1CC(C)C	REAL300000405252	0	43	-2.0	-98.24	368.82	6.16	-92.08
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=NN1CC(C)C	REAL300000405253	0	45	-2.0	-102.90	389.32	7.33	-95.57
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=NN1CC(C)C	REAL300000405254	0	43	-2.0	-109.64	366.02	5.95	-103.69
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=NN1CC(C)C	REAL300000405255	0	42	-2.0	-117.32	369.79	6.99	-110.33
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=NN1CC(C)C	REAL300000405256	0	40	-2.0	-114.20	351.00	5.21	-108.99
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405257	0	43	-2.0	-102.27	368.51	5.74	-96.53
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405258	0	46	-2.0	-119.01	393.85	7.75	-111.26
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1CC(C)C	REAL300000405259	0	39	-2.0	-108.34	349.93	3.76	-104.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)N(CC(C)C)N=C1	REAL300000405260	0	44	-2.0	-102.38	381.92	5.44	-96.94
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=NN1CC(C)C	REAL300000405261	0	37	-2.0	-98.83	347.56	4.16	-94.67
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=NN1CC(C)C	REAL300000405262	0	47	-2.0	-105.17	393.46	7.06	-98.11
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=NN1CC(C)C	REAL300000405263	0	47	-2.0	-106.93	390.15	7.00	-99.93
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(CC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000405264	0	43	-2.0	-105.03	369.47	5.18	-99.85
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3CCCC4=CC=CC2=C43)=C1	REAL300000405300	0	43	-2.0	-112.13	350.10	7.97	-104.16
COC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C(Cl)=N1	REAL300000405324	1	39	-2.0	-98.29	368.67	3.28	-95.01
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(Cl)=N1	REAL300000405327	1	35	-2.0	-104.35	337.19	1.98	-102.37
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(Cl)=N1	REAL300000405335	1	28	-2.0	-94.43	302.24	1.21	-93.22
COC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(Cl)=N1	REAL300000405347	1	38	-2.0	-105.04	359.48	2.74	-102.30
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(Cl)=N1	REAL300000405348	0	34	-2.0	-106.18	337.68	2.77	-103.41
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(Cl)=N1	REAL300000405350	1	31	-2.0	-94.24	312.06	1.32	-92.92
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(Cl)=N1	REAL300000405351	1	35	-2.0	-101.33	337.97	1.28	-100.05
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(Cl)=N1	REAL300000405364	1	31	-2.0	-87.71	314.51	2.26	-85.45
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(Cl)=N1	REAL300000405370	0	32	-2.0	-99.94	313.64	0.23	-99.71
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(Cl)=N1	REAL300000405380	1	34	-2.0	-98.89	334.29	2.91	-95.98
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(Cl)=N1	REAL300000405392	1	33	-2.0	-107.33	332.78	4.04	-103.29
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(Cl)=N1	REAL300000405396	1	30	-2.0	-97.31	305.26	0.31	-97.00
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)N=C2Cl)C=C(C(=O)[O-])O1	REAL300000405401	1	34	-2.0	-94.04	331.18	2.18	-91.86
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405402	0	37	-2.0	-122.73	337.18	4.15	-118.58
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405403	0	34	-2.0	-124.95	321.75	3.36	-121.59
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C1C(=O)[O-]	REAL300000405404	0	33	-2.0	-120.63	302.89	2.56	-118.07
CN1N=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1C(=O)[O-]	REAL300000405406	0	28	-2.0	-129.28	275.47	3.00	-126.28
CN1N=CC([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405407	0	30	-3.0	-179.74	300.44	2.42	-177.32
CN1N=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405407	1	31	-2.0	-91.94	299.41	2.45	-89.49
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1C(=O)[O-]	REAL300000405408	0	27	-2.0	-111.13	278.82	1.35	-109.78
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C1C(=O)[O-]	REAL300000405409	0	29	-2.0	-117.21	287.82	3.10	-114.11
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=C1C(=O)[O-]	REAL300000405410	0	29	-2.0	-112.68	287.77	3.10	-109.58
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1C(=O)[O-]	REAL300000405411	0	28	-2.0	-118.37	289.20	3.29	-115.08
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000405412	0	31	-2.0	-116.23	309.57	4.61	-111.62
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=C1C(=O)[O-]	REAL300000405413	0	29	-2.0	-129.74	285.08	3.01	-126.73
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1Br	REAL300000405414	0	31	-2.0	-115.89	306.46	3.89	-112.00
CC1=CC=CC(OC2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C2)=C1	REAL300000405415	0	42	-2.0	-118.62	377.07	6.24	-112.38
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1C(=O)[O-]	REAL300000405416	0	28	-2.0	-121.33	283.46	3.41	-117.92
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1NC(C)=O	REAL300000405417	0	39	-2.0	-134.14	351.89	1.01	-133.13
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=C1C(=O)[O-]	REAL300000405418	0	32	-2.0	-113.26	312.94	2.50	-110.76
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000405419	0	37	-3.0	-171.88	351.88	1.85	-170.03
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405420	0	30	-3.0	-191.49	299.97	3.30	-188.19
CC1=C(C)C(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=C1C	REAL300000405421	0	43	-2.0	-126.35	344.07	5.91	-120.44
CN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000405422	0	32	-2.0	-118.35	316.29	4.80	-113.55
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1C(=O)[O-]	REAL300000405423	0	37	-2.0	-121.89	329.80	2.65	-119.24
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1[N+](=O)[O-]	REAL300000405424	0	33	-2.0	-119.38	311.17	3.90	-115.48
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405425	0	38	-3.0	-189.44	355.05	4.38	-185.06
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=C1C(=O)[O-]	REAL300000405426	0	25	-2.0	-113.47	280.57	2.43	-111.04
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1Cl	REAL300000405427	0	34	-2.0	-118.14	326.70	5.23	-112.91
COC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405428	0	32	-2.0	-123.64	316.52	3.15	-120.49
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405429	0	46	-2.0	-122.78	373.60	6.72	-116.06
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=C1C(=O)[O-]	REAL300000405430	0	44	-2.0	-121.07	368.82	6.52	-114.55
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1C(=O)[O-]	REAL300000405431	0	31	-2.0	-112.79	305.69	3.71	-109.08
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1C(=O)[O-]	REAL300000405432	0	38	-2.0	-124.37	329.69	5.20	-119.17
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000405433	0	30	-3.0	-179.65	295.40	3.27	-176.38
CN1N=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000405433	1	31	-2.0	-96.56	294.37	3.30	-93.26
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405434	0	36	-2.0	-129.66	324.70	1.81	-127.85
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1OC	REAL300000405435	0	36	-2.0	-120.10	325.71	1.91	-118.19
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1C(=O)[O-]	REAL300000405436	0	35	-2.0	-124.55	312.49	4.62	-119.93
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405437	0	30	-2.0	-111.28	280.06	1.67	-109.61
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1C(=O)[O-]	REAL300000405438	0	28	-2.0	-111.76	298.89	3.69	-108.07
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405439	0	30	-3.0	-195.31	295.43	3.26	-192.05
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1C(=O)[O-]	REAL300000405440	0	28	-2.0	-110.69	279.68	2.83	-107.86
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1C(=O)[O-]	REAL300000405441	0	28	-2.0	-116.73	296.83	3.79	-112.94
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000405442	0	31	-2.0	-117.16	306.05	3.73	-113.43
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000405444	0	31	-2.0	-124.39	292.83	4.09	-120.30
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000405445	0	31	-2.0	-110.92	318.87	4.13	-106.79
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000405446	0	28	-2.0	-117.90	283.69	3.23	-114.67
CN1N=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)=C1C(=O)[O-]	REAL300000405447	0	31	-2.0	-115.49	318.84	4.27	-111.22
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405448	0	33	-2.0	-119.90	308.20	3.12	-116.78
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405449	0	34	-2.0	-122.10	303.86	4.15	-117.95
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C	REAL300000405450	0	34	-2.0	-124.00	305.38	3.91	-120.09
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1C(=O)[O-]	REAL300000405451	0	28	-2.0	-110.98	289.56	3.28	-107.70
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405452	0	33	-2.0	-131.60	307.46	3.09	-128.51
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=C1	REAL300000405453	0	34	-2.0	-121.61	303.86	4.15	-117.46
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405454	0	34	-2.0	-135.05	312.21	4.12	-130.93
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405455	0	37	-2.0	-115.62	343.59	4.30	-111.32
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1C(=O)[O-]	REAL300000405456	0	28	-2.0	-119.65	295.29	3.73	-115.92
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1[N+](=O)[O-]	REAL300000405457	0	34	-2.0	-118.15	322.49	3.45	-114.70
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=C1C(=O)[O-]	REAL300000405458	0	40	-2.0	-121.76	343.16	5.03	-116.73
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405459	0	37	-2.0	-121.55	327.18	4.64	-116.91
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405460	0	40	-2.0	-121.55	345.63	5.30	-116.25
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405461	0	39	-2.0	-121.72	362.56	0.71	-121.01
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405462	0	34	-3.0	-197.86	323.57	3.09	-194.77
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000405463	0	34	-3.0	-178.02	326.87	4.56	-173.46
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1C(=O)[O-]	REAL300000405464	0	28	-2.0	-122.18	290.57	4.03	-118.15
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1C(=O)[O-]	REAL300000405465	0	25	-2.0	-113.26	275.94	2.33	-110.93
CCCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405466	0	37	-2.0	-121.16	331.35	4.93	-116.23
COC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405467	0	32	-2.0	-128.56	295.23	2.52	-126.04
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2Cl)=C1C(=O)[O-]	REAL300000405468	0	28	-2.0	-114.44	301.39	3.89	-110.55
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1Br	REAL300000405469	0	32	-2.0	-117.66	316.88	2.68	-114.98
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000405470	0	33	-3.0	-197.39	311.45	3.80	-193.59
CC1=CC=C(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000405470	1	34	-2.0	-100.76	310.39	3.82	-96.94
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405471	0	39	-2.0	-143.00	351.57	1.40	-141.60
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1C(=O)[O-]	REAL300000405472	0	28	-2.0	-116.71	285.05	2.90	-113.81
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000405473	0	28	-2.0	-112.34	300.44	3.74	-108.60
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1C(=O)[O-]	REAL300000405474	0	28	-2.0	-122.45	280.10	3.27	-119.18
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC(C(=O)OC)=C1	REAL300000405475	0	40	-2.0	-123.21	376.48	4.00	-119.21
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1C(=O)[O-]	REAL300000405476	0	28	-2.0	-117.88	288.26	3.33	-114.55
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405477	0	40	-2.0	-134.70	366.83	4.77	-129.93
CN1N=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405478	0	30	-2.0	-117.79	295.19	3.38	-114.41
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405479	0	33	-2.0	-115.09	310.68	4.15	-110.94
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405480	0	30	-2.0	-111.46	307.65	3.76	-107.70
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405481	0	32	-2.0	-119.50	296.45	2.00	-117.50
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000405482	0	30	-2.0	-135.01	288.06	4.14	-130.87
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C(=O)[O-]	REAL300000405483	0	30	-3.0	-187.04	308.50	3.83	-183.21
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405484	0	30	-3.0	-190.67	307.95	3.66	-187.01
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405485	0	35	-2.0	-119.19	318.30	2.93	-116.26
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1C(=O)[O-]	REAL300000405486	0	28	-2.0	-117.65	278.87	2.84	-114.81
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1C(=O)[O-]	REAL300000405487	0	28	-2.0	-111.44	279.79	2.84	-108.60
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1C(=O)[O-]	REAL300000405488	0	30	-3.0	-182.21	321.00	4.21	-178.00
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1C	REAL300000405489	0	40	-2.0	-123.40	330.48	5.41	-117.99
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1C(=O)[O-]	REAL300000405490	0	34	-2.0	-122.22	311.45	1.86	-120.36
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=C1	REAL300000405491	0	37	-2.0	-122.63	318.65	5.07	-117.56
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405492	0	43	-2.0	-123.59	358.66	5.80	-117.79
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1C(=O)[O-]	REAL300000405493	0	28	-2.0	-114.54	283.69	3.23	-111.31
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1C(=O)[O-]	REAL300000405494	0	28	-2.0	-114.53	288.25	3.33	-111.20
CN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000405495	0	30	-2.0	-108.54	295.18	3.38	-105.16
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405496	0	35	-2.0	-126.49	323.03	1.60	-124.89
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000405497	0	28	-2.0	-120.86	280.78	2.51	-118.35
CN1N=CC([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)(C)C)C=C2)=C1C(=O)[O-]	REAL300000405498	0	44	-2.0	-125.24	382.09	3.64	-121.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1C	REAL300000405499	0	36	-3.0	-193.93	328.09	4.63	-189.30
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405500	0	32	-2.0	-121.17	311.96	3.03	-118.14
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405501	0	31	-2.0	-116.57	303.75	4.11	-112.46
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000405502	0	30	-2.0	-124.99	304.79	4.65	-120.34
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C(=O)[O-]	REAL300000405503	0	30	-3.0	-189.69	300.90	3.33	-186.36
CN1N=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C(=O)[O-]	REAL300000405503	1	31	-2.0	-97.31	289.44	2.78	-94.53
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1C(=O)[O-]	REAL300000405504	0	25	-2.0	-111.43	289.81	2.86	-108.57
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405505	0	43	-2.0	-121.04	370.41	6.21	-114.83
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405506	0	33	-2.0	-117.76	305.21	3.98	-113.78
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1C(=O)[O-]	REAL300000405507	0	28	-2.0	-120.42	278.86	2.84	-117.58
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000405508	0	36	-3.0	-177.11	338.99	4.86	-172.25
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405509	0	38	-2.0	-126.25	343.61	2.41	-123.84
CN1N=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1C(=O)[O-]	REAL300000405510	0	32	-2.0	-115.99	302.72	-0.48	-116.47
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)=C1C(=O)[O-]	REAL300000405511	0	35	-2.0	-118.03	337.87	3.40	-114.63
CSC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405512	0	32	-2.0	-119.39	307.15	3.73	-115.66
CN1N=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1C(=O)[O-]	REAL300000405513	0	33	-2.0	-117.39	309.01	1.16	-116.23
CN1N=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=C1C(=O)[O-]	REAL300000405514	0	36	-2.0	-118.41	326.74	1.89	-116.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1OCC	REAL300000405515	0	42	-2.0	-120.49	369.41	3.75	-116.74
CN1N=CC([N-]S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)=C1C(=O)[O-]	REAL300000405516	0	33	-2.0	-117.46	315.24	2.89	-114.57
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C(=O)[O-]	REAL300000405517	0	27	-3.0	-187.92	288.62	2.29	-185.63
CN1N=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1C(=O)[O-]	REAL300000405518	0	31	-2.0	-115.40	298.72	0.21	-115.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405519	0	33	-3.0	-191.52	310.86	4.06	-187.46
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405520	0	34	-2.0	-120.11	303.67	1.75	-118.36
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405521	0	36	-2.0	-123.04	343.58	-1.12	-124.16
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1C	REAL300000405522	0	36	-2.0	-115.44	327.95	4.75	-110.69
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C2CC1C	REAL300000405523	0	42	-2.0	-130.23	361.34	4.28	-125.95
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405524	0	34	-2.0	-116.01	321.73	3.37	-112.64
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405525	0	35	-2.0	-120.32	323.39	0.99	-119.33
CN1N=CC([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)=C1C(=O)[O-]	REAL300000405526	0	33	-2.0	-122.22	321.14	-2.33	-124.55
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)=C1C(=O)[O-]	REAL300000405527	0	32	-2.0	-117.25	322.25	2.84	-114.41
CN1N=CC([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)=C1C(=O)[O-]	REAL300000405528	0	39	-2.0	-128.71	344.76	3.83	-124.88
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=CC=C21	REAL300000405529	0	42	-2.0	-134.80	359.62	4.30	-130.50
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405530	0	37	-2.0	-135.09	339.12	4.40	-130.69
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=C1C(=O)[O-]	REAL300000405531	0	32	-2.0	-120.09	301.46	-0.51	-120.60
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=CC=C21	REAL300000405532	0	39	-2.0	-130.88	347.55	3.83	-127.05
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405533	0	34	-2.0	-121.63	309.85	4.15	-117.48
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1C(=O)[O-]	REAL300000405534	0	34	-2.0	-125.53	312.91	5.00	-120.53
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=CS1	REAL300000405535	0	31	-2.0	-131.38	306.54	3.03	-128.35
COCCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405536	0	38	-2.0	-120.46	343.54	3.22	-117.24
COC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=C1	REAL300000405537	0	38	-2.0	-119.26	326.06	3.62	-115.64
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000405538	0	34	-3.0	-177.00	326.49	3.55	-173.45
CN1N=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000405538	1	35	-2.0	-94.56	325.46	3.57	-90.99
COCCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C	REAL300000405539	0	42	-2.0	-121.96	372.02	2.94	-119.02
CN1N=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=C1C(=O)[O-]	REAL300000405540	0	39	-2.0	-124.19	351.20	6.83	-117.36
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405541	0	40	-2.0	-121.52	348.11	5.39	-116.13
CN1N=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)=C1C(=O)[O-]	REAL300000405543	0	33	-2.0	-117.01	322.09	1.71	-115.30
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C1C(=O)[O-]	REAL300000405544	0	33	-2.0	-116.97	309.35	3.22	-113.75
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405545	0	34	-2.0	-135.37	321.11	1.23	-134.14
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=C2N=C1	REAL300000405546	0	36	-2.0	-139.86	328.31	3.98	-135.88
CCCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405547	0	38	-2.0	-118.68	339.80	3.73	-114.95
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(Cl)=C1	REAL300000405548	0	31	-2.0	-122.30	301.51	3.94	-118.36
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1C(=O)[O-]	REAL300000405549	0	32	-2.0	-124.08	311.73	2.99	-121.09
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=C1C(=O)[O-]	REAL300000405550	0	34	-2.0	-117.75	317.71	-0.06	-117.81
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)=C1C(=O)[O-]	REAL300000405551	0	33	-2.0	-121.93	321.22	-2.34	-124.27
CN1N=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)=C1C(=O)[O-]	REAL300000405552	0	36	-2.0	-117.79	329.80	3.14	-114.65
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C([N+](=O)[O-])=C1	REAL300000405553	0	34	-2.0	-130.70	314.98	3.41	-127.29
CN1N=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)=C1C(=O)[O-]	REAL300000405554	0	34	-2.0	-115.42	323.52	-0.30	-115.72
CN1N=CC([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)=C1C(=O)[O-]	REAL300000405555	0	35	-2.0	-114.58	332.60	1.97	-112.61
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=C1C(=O)[O-]	REAL300000405556	0	33	-2.0	-114.05	314.80	4.21	-109.84
CN1N=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)=C1C(=O)[O-]	REAL300000405557	0	34	-2.0	-117.07	321.10	2.67	-114.40
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000405558	0	32	-2.0	-115.48	312.97	2.50	-112.98
CN1N=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=C1C(=O)[O-]	REAL300000405559	0	34	-2.0	-127.50	327.66	0.23	-127.27
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405560	0	31	-2.0	-113.09	288.85	3.55	-109.54
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405561	0	36	-2.0	-122.03	343.58	-1.12	-123.15
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000405562	0	38	-2.0	-125.57	336.28	6.56	-119.01
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1C(=O)[O-]	REAL300000405563	0	28	-2.0	-113.85	286.50	3.34	-110.51
CN1N=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=C1C(=O)[O-]	REAL300000405564	0	40	-2.0	-128.15	352.90	2.05	-126.10
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(F)=C1	REAL300000405565	0	35	-2.0	-133.37	328.53	1.68	-131.69
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=C1C(=O)[O-]	REAL300000405566	0	34	-2.0	-125.19	327.68	0.23	-124.96
CN1N=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)=C1C(=O)[O-]	REAL300000405567	0	37	-2.0	-123.34	341.17	5.41	-117.93
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405568	0	39	-2.0	-122.67	361.72	0.75	-121.92
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1OC	REAL300000405570	0	36	-2.0	-122.22	331.18	1.98	-120.24
COC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1OC	REAL300000405571	0	39	-2.0	-119.34	341.14	2.69	-116.65
CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000405572	0	31	-3.0	-193.17	302.08	2.62	-190.55
CN1C=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1Cl	REAL300000405573	0	28	-2.0	-128.28	284.44	2.27	-126.01
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(Br)=C1	REAL300000405574	0	31	-2.0	-121.21	304.87	4.07	-117.14
CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(N)=O	REAL300000405575	0	33	-2.0	-118.66	308.91	-1.13	-119.79
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405576	0	34	-3.0	-191.18	319.21	2.12	-189.06
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C(=O)[O-])N(C)N=C1	REAL300000405576	1	35	-2.0	-97.99	317.44	2.08	-95.91
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405577	0	34	-2.0	-122.07	334.83	3.92	-118.15
COCCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405578	0	39	-2.0	-120.97	351.93	2.20	-118.77
CN1N=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2Cl)=C1C(=O)[O-]	REAL300000405579	0	34	-2.0	-129.53	340.80	0.79	-128.74
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1Cl	REAL300000405580	0	32	-2.0	-117.48	312.49	2.57	-114.91
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1F	REAL300000405581	0	32	-2.0	-117.23	302.69	2.08	-115.15
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C	REAL300000405582	0	35	-2.0	-120.73	316.55	2.75	-117.98
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C	REAL300000405583	0	38	-2.0	-120.40	338.40	3.68	-116.72
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(N)=O	REAL300000405584	0	35	-2.0	-115.59	317.58	0.16	-115.43
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(N)=O	REAL300000405585	0	36	-2.0	-117.27	328.78	0.09	-117.18
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=CC=CC=C12	REAL300000405586	0	44	-2.0	-127.93	376.10	5.93	-122.00
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)=C1C(=O)[O-]	REAL300000405587	0	43	-2.0	-116.99	373.08	2.21	-114.78
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405588	0	33	-2.0	-107.98	310.67	4.15	-103.83
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CN1C	REAL300000405590	0	36	-2.0	-119.44	330.85	0.36	-119.08
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405591	0	31	-2.0	-116.61	299.18	4.00	-112.61
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405592	0	41	-2.0	-118.87	359.90	4.43	-114.44
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=N2)C=C1	REAL300000405593	0	38	-2.0	-119.90	348.93	4.50	-115.40
CN1N=CC([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C1C(=O)[O-]	REAL300000405594	1	35	-2.0	-112.85	326.47	3.10	-109.75
CN1N=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)=C1C(=O)[O-]	REAL300000405595	0	39	-2.0	-119.84	342.44	2.84	-117.00
COC1=C(C)C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C	REAL300000405596	0	38	-2.0	-119.71	338.27	3.51	-116.20
CN1N=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)=C1C(=O)[O-]	REAL300000405597	0	36	-2.0	-120.59	330.52	2.58	-118.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405598	0	30	-3.0	-183.35	304.54	2.95	-180.40
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=C1C(=O)[O-]	REAL300000405599	0	29	-2.0	-109.33	303.18	3.51	-105.82
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=C1C(=O)[O-]	REAL300000405600	0	29	-2.0	-110.07	303.19	3.52	-106.55
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000405601	0	36	-3.0	-194.93	330.88	4.70	-190.23
CC1=CC(C)=C(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000405601	1	37	-2.0	-98.59	328.68	4.74	-93.85
CN1N=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C1C(=O)[O-]	REAL300000405602	0	32	-2.0	-125.76	305.33	3.08	-122.68
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=CC=CN=C12	REAL300000405603	0	37	-2.0	-124.15	332.27	2.50	-121.65
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1Cl	REAL300000405604	0	31	-2.0	-118.74	302.44	3.81	-114.93
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1C(=O)[O-]	REAL300000405605	0	28	-2.0	-123.79	288.63	3.27	-120.52
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Br)=C1C(=O)[O-]	REAL300000405606	0	28	-2.0	-112.73	289.85	3.47	-109.26
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1OC(C)C	REAL300000405607	0	41	-2.0	-120.85	356.32	4.30	-116.55
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405608	0	34	-2.0	-114.76	323.44	3.18	-111.58
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=CC=CC=C12	REAL300000405609	0	38	-2.0	-128.41	336.33	4.38	-124.03
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1F	REAL300000405610	0	31	-2.0	-118.50	293.69	3.42	-115.08
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405611	0	31	-2.0	-114.06	299.18	3.99	-110.07
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)=C1C(=O)[O-]	REAL300000405612	0	28	-2.0	-113.63	307.31	4.52	-109.11
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405613	0	31	-2.0	-127.01	293.87	3.44	-123.57
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405614	0	31	-2.0	-116.59	288.85	3.55	-113.04
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C1C(=O)[O-]	REAL300000405615	0	34	-2.0	-119.99	327.00	4.77	-115.22
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405616	0	33	-2.0	-133.99	305.36	5.08	-128.91
CN1N=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)=C1C(=O)[O-]	REAL300000405617	0	36	-2.0	-122.83	332.27	1.96	-120.87
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000405618	0	32	-2.0	-114.80	313.56	4.49	-110.31
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)=C1C(=O)[O-]	REAL300000405619	0	48	-2.0	-118.81	401.55	6.33	-112.48
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405620	0	38	-2.0	-133.35	339.12	2.56	-130.79
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)=C1C(=O)[O-]	REAL300000405621	0	42	-2.0	-118.99	361.03	4.90	-114.09
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405622	0	36	-2.0	-139.74	328.25	3.99	-135.75
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405623	0	44	-2.0	-118.51	378.87	5.03	-113.48
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405624	0	38	-2.0	-122.35	352.81	3.63	-118.72
CN1N=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405625	0	27	-3.0	-189.86	287.08	2.32	-187.54
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1Cl	REAL300000405626	0	31	-2.0	-123.07	309.31	4.61	-118.46
COC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000405627	0	38	-3.0	-194.96	353.76	3.08	-191.88
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405628	0	37	-2.0	-124.62	343.15	1.00	-123.62
CN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=C1C(=O)[O-]	REAL300000405629	0	30	-2.0	-108.54	308.32	3.94	-104.60
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000405630	0	34	-3.0	-201.62	322.72	3.33	-198.29
COC1=CC=C(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000405630	1	35	-2.0	-113.18	321.67	3.36	-109.82
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=CC=CN=C2C=C1	REAL300000405631	0	36	-2.0	-123.55	317.06	4.10	-119.45
COC(=O)CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405632	0	41	-2.0	-122.40	373.76	3.78	-118.62
CN1N=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=C1C(=O)[O-]	REAL300000405633	0	25	-2.0	-116.84	279.27	2.27	-114.57
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1O	REAL300000405634	0	35	-2.0	-117.92	330.57	1.39	-116.53
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405635	0	41	-2.0	-129.02	370.68	2.49	-126.53
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000405636	0	30	-2.0	-126.98	294.44	4.21	-122.77
CN1N=CC([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)=C1C(=O)[O-]	REAL300000405637	0	27	-2.0	-112.37	296.58	2.01	-110.36
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405638	0	42	-2.0	-131.23	377.12	1.52	-129.71
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C(=O)[O-]	REAL300000405639	0	40	-3.0	-197.56	350.66	5.90	-191.66
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405640	0	39	-3.0	-195.12	349.33	5.30	-189.82
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1C(=O)[O-]	REAL300000405641	0	38	-2.0	-122.63	341.15	6.12	-116.51
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000405642	0	30	-2.0	-131.06	300.36	4.11	-126.95
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405643	0	37	-2.0	-131.97	347.90	1.18	-130.79
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405644	0	39	-2.0	-131.26	357.72	2.37	-128.89
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=C1	REAL300000405645	0	35	-2.0	-119.20	311.92	2.78	-116.42
COC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C	REAL300000405646	0	38	-2.0	-120.12	331.57	3.54	-116.58
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)=C1C(=O)[O-]	REAL300000405647	0	39	-2.0	-131.86	355.03	2.68	-129.18
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405648	0	32	-2.0	-121.53	298.15	1.08	-120.45
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405649	0	36	-3.0	-187.53	323.66	4.94	-182.59
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1C(=O)[O-]	REAL300000405650	0	31	-2.0	-125.57	306.49	3.62	-121.95
CN1N=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)N(C)C2=C3C=CC=C2)=C1C(=O)[O-]	REAL300000405651	0	41	-2.0	-129.60	366.81	6.54	-123.06
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405652	0	37	-3.0	-196.64	345.85	3.86	-192.78
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405653	0	32	-4.0	-283.92	323.83	3.83	-280.09
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000405654	0	31	-2.0	-113.77	314.84	2.47	-111.30
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C(=O)[O-]	REAL300000405655	0	37	-3.0	-197.56	339.67	5.16	-192.40
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(S(C)(=O)=O)=C2)=C1C(=O)[O-]	REAL300000405656	0	34	-2.0	-120.83	332.07	0.25	-120.58
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C	REAL300000405657	0	36	-2.0	-135.01	327.14	5.36	-129.65
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C1C(=O)[O-]	REAL300000405658	0	32	-2.0	-112.65	304.78	3.09	-109.56
CN1N=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1C(=O)[O-]	REAL300000405659	0	28	-2.0	-118.38	281.88	3.06	-115.32
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000405660	0	38	-2.0	-127.44	362.78	1.64	-125.80
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000405661	0	38	-2.0	-118.47	360.16	1.68	-116.79
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C(C(=O)[O-])O1	REAL300000405662	0	30	-3.0	-183.43	298.43	2.41	-181.02
CN1N=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1C(=O)[O-]	REAL300000405663	0	31	-2.0	-142.43	295.16	1.91	-140.52
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405664	0	34	-2.0	-125.76	327.22	3.42	-122.34
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405665	0	38	-2.0	-131.10	338.49	4.10	-127.00
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000405666	0	31	-2.0	-110.14	311.29	3.77	-106.37
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405667	0	44	-2.0	-121.07	377.93	4.44	-116.63
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405668	0	44	-2.0	-118.59	382.80	5.29	-113.30
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000405669	0	30	-2.0	-133.89	300.68	4.88	-129.01
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1C(=O)[O-]	REAL300000405670	0	33	-2.0	-131.23	315.29	2.88	-128.35
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=CC=CC=C12	REAL300000405671	0	41	-2.0	-127.86	358.19	5.30	-122.56
CN1N=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405672	0	36	-3.0	-201.39	337.60	3.04	-198.35
CN1N=CC([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)=C1C(=O)[O-]	REAL300000405673	0	32	-2.0	-114.54	323.34	4.17	-110.37
CN1N=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1C(=O)[O-]	REAL300000405674	0	27	-2.0	-111.81	283.30	1.52	-110.29
CN1N=CC([N-]S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)=C1C(=O)[O-]	REAL300000405675	0	36	-2.0	-123.85	340.52	-0.58	-124.43
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405676	0	42	-2.0	-121.10	373.78	3.17	-117.93
CN1N=CC([N-]S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2F)=C1C(=O)[O-]	REAL300000405677	0	36	-2.0	-129.75	346.03	-0.52	-130.27
CN1N=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2F)=C1C(=O)[O-]	REAL300000405678	0	34	-2.0	-133.27	333.15	0.29	-132.98
CN1N=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000405679	0	30	-2.0	-138.01	292.98	4.35	-133.66
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405680	0	34	-3.0	-203.11	324.35	2.38	-200.73
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1C(=O)[O-]	REAL300000405681	0	38	-3.0	-180.11	349.06	3.88	-176.23
CN1N=CC(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1C(=O)[O-]	REAL300000405681	1	39	-2.0	-96.18	348.01	3.90	-92.28
CN1N=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000405682	0	35	-2.0	-120.25	327.54	3.83	-116.42
CN1N=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000405683	0	38	-2.0	-118.89	352.95	4.27	-114.62
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)=C1C(=O)[O-]	REAL300000405684	0	42	-2.0	-120.32	378.21	6.00	-114.32
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405685	0	30	-3.0	-183.88	323.11	4.12	-179.76
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1C(=O)[O-]	REAL300000405686	0	30	-3.0	-182.37	313.02	3.86	-178.51
CN1N=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1C(=O)[O-]	REAL300000405687	0	27	-2.0	-111.57	268.39	0.98	-110.59
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1C(=O)[O-]	REAL300000405688	0	34	-3.0	-175.07	342.54	4.09	-170.98
CN1N=CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)=C1C(=O)[O-]	REAL300000405689	0	28	-2.0	-120.41	293.75	3.39	-117.02
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(F)(F)F	REAL300000405690	0	34	-2.0	-118.02	321.40	4.23	-113.79
CN1N=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)=C1C(=O)[O-]	REAL300000405691	0	38	-2.0	-117.89	347.22	3.62	-114.27
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405693	0	31	-2.0	-119.42	315.01	2.37	-117.05
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405694	0	36	-2.0	-111.63	323.53	5.05	-106.58
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=C1C(=O)[O-]	REAL300000405695	0	33	-2.0	-123.22	303.13	3.15	-120.07
CN1N=CC([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)=C1C(=O)[O-]	REAL300000405696	0	34	-2.0	-126.73	340.21	3.42	-123.31
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1C(=O)[O-]	REAL300000405697	0	27	-2.0	-112.87	292.11	1.84	-111.03
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000405698	0	37	-3.0	-177.72	346.58	4.26	-173.46
CC1=CC(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000405698	1	38	-2.0	-94.52	345.53	4.28	-90.24
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=C1	REAL300000405699	0	38	-2.0	-118.91	333.78	3.71	-115.20
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C12	REAL300000405700	0	36	-2.0	-115.69	333.29	2.43	-113.26
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C12	REAL300000405701	0	32	-2.0	-110.75	306.73	-0.31	-111.06
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=C1C(=O)[O-]	REAL300000405702	0	28	-2.0	-108.95	282.90	1.23	-107.72
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=C1C(=O)[O-]	REAL300000405703	0	37	-2.0	-122.68	348.50	5.55	-117.13
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1C(=O)[O-]	REAL300000405704	0	28	-2.0	-125.03	278.74	2.83	-122.20
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(F)=C1	REAL300000405705	0	32	-2.0	-124.28	304.94	2.30	-121.98
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405706	0	34	-2.0	-128.99	328.87	4.63	-124.36
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000405707	0	30	-2.0	-127.14	304.77	4.66	-122.48
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405708	0	33	-3.0	-181.85	316.13	4.09	-177.76
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000405709	0	43	-3.0	-176.90	389.04	5.19	-171.71
CC1=CC(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000405709	1	44	-2.0	-93.91	387.99	5.21	-88.70
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1C(=O)[O-]	REAL300000405710	0	34	-2.0	-127.93	310.10	2.38	-125.55
COC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=CC=C(Cl)N=C2C=C1	REAL300000405711	0	37	-2.0	-126.10	346.01	3.97	-122.13
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C(=O)[O-]	REAL300000405712	0	34	-3.0	-175.59	332.73	3.61	-171.98
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1C(=O)[O-]	REAL300000405713	0	32	-2.0	-123.56	304.98	2.78	-120.78
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405714	0	37	-2.0	-124.49	343.62	4.29	-120.20
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405715	0	40	-2.0	-115.31	365.09	5.09	-110.22
CN1N=CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2Cl)=C1C(=O)[O-]	REAL300000405716	0	28	-2.0	-116.65	301.40	3.90	-112.75
CN1N=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C(=O)NC(=O)N3C)=C1C(=O)[O-]	REAL300000405717	0	36	-2.0	-111.72	336.64	0.12	-111.60
COCC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405718	0	35	-2.0	-123.33	322.03	2.43	-120.90
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405719	0	34	-2.0	-128.76	318.55	4.18	-124.58
CN1N=CC([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=C1C(=O)[O-]	REAL300000405720	0	36	-2.0	-130.37	332.53	3.29	-127.08
CN1N=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=C1C(=O)[O-]	REAL300000405721	0	31	-2.0	-119.19	311.18	3.77	-115.42
CN1N=CC([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)=C1C(=O)[O-]	REAL300000405722	0	28	-2.0	-112.52	299.49	3.44	-109.08
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000405723	0	31	-2.0	-115.37	299.24	4.16	-111.21
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1C(=O)[O-]	REAL300000405724	0	28	-2.0	-120.87	299.06	2.82	-118.05
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000405725	0	37	-3.0	-202.52	344.57	4.24	-198.28
CCOC1=CC=C(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000405725	1	38	-2.0	-113.94	343.54	4.27	-109.67
CN1N=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1C(=O)[O-]	REAL300000405726	0	33	-2.0	-120.48	302.93	2.01	-118.47
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1F	REAL300000405727	0	37	-2.0	-113.23	348.18	4.31	-108.92
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1C(=O)[O-]	REAL300000405728	0	28	-2.0	-116.47	286.50	3.34	-113.13
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C2)=CO1	REAL300000405729	0	37	-2.0	-124.59	343.35	1.77	-122.82
CN1N=CC([N-]S(=O)(=O)CCOCC(F)(F)F)=C1C(=O)[O-]	REAL300000405730	1	31	-2.0	-113.84	305.28	0.92	-112.92
CC1CC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=CC=C2O1	REAL300000405731	0	36	-2.0	-120.74	323.88	3.32	-117.42
CN1N=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=C1C(=O)[O-]	REAL300000405732	0	32	-2.0	-113.81	311.27	-0.44	-114.25
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=CC=CC=C2S1	REAL300000405733	0	37	-2.0	-135.17	347.40	5.64	-129.53
COC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405734	0	32	-2.0	-123.83	296.47	2.01	-121.82
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000405735	0	34	-2.0	-124.34	327.62	0.97	-123.37
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000405735	1	33	-3.0	-189.77	324.34	-0.16	-189.93
CN1N=CC([N-]S(=O)(=O)CC2CCCCO2)=C1C(=O)[O-]	REAL300000405737	1	35	-2.0	-120.73	304.28	1.74	-118.99
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(F)C=C1F	REAL300000405739	0	34	-2.0	-113.71	331.77	3.45	-110.26
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(F)=C1	REAL300000405740	0	31	-2.0	-126.51	293.87	3.45	-123.06
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1Cl	REAL300000405741	0	35	-2.0	-127.29	343.22	2.31	-124.98
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405742	0	47	-2.0	-146.29	399.84	5.54	-140.75
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1Cl	REAL300000405743	0	32	-2.0	-115.37	325.58	3.13	-112.24
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1F	REAL300000405744	0	31	-2.0	-114.51	293.69	3.41	-111.10
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)O1	REAL300000405745	0	31	-2.0	-114.81	306.51	1.51	-113.30
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1C(=O)[O-]	REAL300000405746	0	33	-2.0	-139.41	306.90	3.34	-136.07
CN1N=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=C1C(=O)[O-]	REAL300000405747	0	34	-2.0	-131.34	333.81	3.36	-127.98
CN1N=CC([N-]S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)=C1C(=O)[O-]	REAL300000405748	0	34	-2.0	-126.54	350.53	3.88	-122.66
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1C(=O)[O-]	REAL300000405749	0	28	-2.0	-111.68	285.18	2.89	-108.79
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405750	0	40	-2.0	-127.88	354.31	1.65	-126.23
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C(C(=O)[O-])S1	REAL300000405751	0	30	-3.0	-187.20	305.12	3.17	-184.03
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1C	REAL300000405752	0	37	-2.0	-124.83	331.80	4.00	-120.83
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405753	0	32	-2.0	-122.48	309.58	2.57	-119.91
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1C(=O)[O-]	REAL300000405754	0	30	-3.0	-180.87	323.65	4.29	-176.58
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CN=C1Cl	REAL300000405755	0	30	-2.0	-112.26	297.63	1.94	-110.32
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405756	0	34	-2.0	-131.12	326.04	0.25	-130.87
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=C1C	REAL300000405757	0	38	-2.0	-120.52	327.60	3.39	-117.13
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405758	0	37	-2.0	-126.02	343.91	4.15	-121.87
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)N(C)C	REAL300000405759	0	42	-2.0	-117.51	369.61	2.21	-115.30
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C21	REAL300000405760	0	39	-2.0	-144.92	347.47	3.83	-141.09
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405761	0	40	-2.0	-121.37	346.10	3.32	-118.05
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)SC=C1	REAL300000405762	0	28	-2.0	-120.35	274.70	2.54	-117.81
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405763	0	34	-2.0	-117.98	338.49	3.87	-114.11
CCN1N=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1C	REAL300000405764	0	37	-2.0	-120.40	325.48	2.62	-117.78
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C	REAL300000405765	0	37	-2.0	-116.55	337.78	3.90	-112.65
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1[N+](=O)[O-]	REAL300000405766	0	33	-2.0	-109.37	311.18	3.89	-105.48
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=C1C(=O)[O-]	REAL300000405768	0	36	-2.0	-133.49	326.55	1.16	-132.33
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)=C1C(=O)[O-]	REAL300000405769	0	37	-2.0	-134.29	351.99	0.90	-133.39
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405770	0	32	-2.0	-115.59	303.23	3.88	-111.71
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1F	REAL300000405771	0	35	-2.0	-130.80	328.15	1.72	-129.08
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1[N+](=O)[O-]	REAL300000405772	0	33	-2.0	-117.60	319.34	4.07	-113.53
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)=C1C(=O)[O-]	REAL300000405773	0	40	-2.0	-119.58	319.57	5.27	-114.31
CC1CC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=CC(Cl)=C2O1	REAL300000405774	0	36	-2.0	-117.96	340.75	3.84	-114.12
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1C	REAL300000405775	0	38	-2.0	-142.43	341.59	2.52	-139.91
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C21	REAL300000405776	0	42	-2.0	-144.18	358.60	4.29	-139.89
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405777	0	32	-2.0	-122.85	304.62	3.19	-119.66
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405778	0	32	-2.0	-112.32	303.21	3.87	-108.45
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405779	0	40	-2.0	-119.54	328.53	6.21	-113.33
CN1N=CC([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=C1C(=O)[O-]	REAL300000405780	0	37	-2.0	-128.01	335.63	2.78	-125.23
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1OC	REAL300000405781	0	38	-2.0	-119.39	349.06	3.41	-115.98
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=C1C(=O)[O-]	REAL300000405782	0	29	-2.0	-116.41	293.27	3.16	-113.25
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000405783	0	31	-2.0	-124.40	305.41	4.76	-119.64
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C2O1	REAL300000405784	0	33	-2.0	-119.38	310.63	0.37	-119.01
CC(C)N1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=N1	REAL300000405785	0	34	-2.0	-118.59	311.73	1.80	-116.79
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)=C1C(=O)[O-]	REAL300000405786	0	33	-2.0	-138.09	309.48	-0.81	-138.90
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1C(=O)[O-]	REAL300000405787	0	33	-2.0	-122.68	307.93	3.10	-119.58
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=N1	REAL300000405788	0	34	-2.0	-122.50	326.34	1.48	-121.02
CC(C)C1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CN1	REAL300000405789	0	34	-2.0	-132.02	310.93	1.15	-130.87
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000405790	0	31	-2.0	-123.92	306.26	4.49	-119.43
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=NN1C1=CC=CC=N1	REAL300000405791	0	37	-2.0	-123.70	339.20	4.08	-119.62
COC1=CC=C(OCCS(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405792	1	39	-2.0	-115.45	349.56	2.31	-113.14
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)=C1C(=O)[O-]	REAL300000405793	0	32	-2.0	-118.64	323.76	4.01	-114.63
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1C(=O)[O-]	REAL300000405794	0	28	-2.0	-105.04	285.97	2.89	-102.15
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405795	0	39	-2.0	-118.52	349.58	4.55	-113.97
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CN1C	REAL300000405796	0	35	-2.0	-124.19	328.13	2.81	-121.38
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405797	0	43	-2.0	-121.66	357.39	5.50	-116.16
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C(=O)[O-]	REAL300000405798	0	30	-3.0	-177.62	308.48	3.83	-173.79
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C(=O)[O-]	REAL300000405799	0	30	-3.0	-178.47	299.96	3.31	-175.16
CN1N=CC([N-]S(=O)(=O)C2=CC(C3=NN=NN3C)=CC=C2)=C1C(=O)[O-]	REAL300000405800	0	36	-2.0	-130.46	333.45	2.12	-128.34
CN1N=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=C1C(=O)[O-]	REAL300000405801	0	35	-2.0	-123.47	331.93	3.99	-119.48
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=NN1C1=CC=C(Cl)C=C1	REAL300000405802	0	38	-2.0	-115.22	361.11	4.85	-110.37
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000405803	0	28	-2.0	-118.44	301.16	3.08	-115.36
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)=C1C(=O)[O-]	REAL300000405804	0	28	-2.0	-111.30	293.98	3.37	-107.93
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405805	0	38	-2.0	-130.52	345.21	3.36	-127.16
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC(C)=C1F	REAL300000405806	0	34	-2.0	-115.52	314.00	4.05	-111.47
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2)=C1C(=O)[O-]	REAL300000405807	0	28	-2.0	-111.17	293.98	3.37	-107.80
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(Cl)=C1Cl	REAL300000405808	0	32	-2.0	-119.15	324.04	3.08	-116.07
CN1N=CC([N-]S(=O)(=O)C2=CC=C3N=C(C(C)(C)C)SC3=C2)=C1C(=O)[O-]	REAL300000405809	0	42	-2.0	-119.88	379.97	4.66	-115.22
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=N1	REAL300000405810	0	39	-2.0	-125.42	354.71	3.46	-121.96
CN1N=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=C1C(=O)[O-]	REAL300000405811	0	31	-2.0	-112.22	311.78	0.77	-111.45
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C(=O)[O-]	REAL300000405812	0	27	-3.0	-181.67	287.69	2.40	-179.27
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405813	0	37	-2.0	-131.95	331.71	3.67	-128.28
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405814	0	30	-3.0	-184.99	301.85	3.33	-181.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1F	REAL300000405815	0	33	-3.0	-191.67	321.19	3.97	-187.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)=C1F	REAL300000405815	1	34	-2.0	-98.29	309.70	3.42	-94.87
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)=C1C(=O)[O-]	REAL300000405816	0	42	-2.0	-118.26	359.77	4.76	-113.50
COC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000405817	0	34	-3.0	-182.24	335.73	3.89	-178.35
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000405818	0	30	-2.0	-122.71	317.38	5.39	-117.32
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CN1	REAL300000405819	0	32	-2.0	-121.08	310.37	1.06	-120.02
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(=O)[O-]	REAL300000405820	0	30	-3.0	-180.59	300.89	3.34	-177.25
CN1N=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(=O)[O-]	REAL300000405820	1	31	-2.0	-94.51	289.41	2.78	-91.73
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C(=O)[O-]	REAL300000405821	0	30	-3.0	-177.08	307.94	3.67	-173.41
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405822	0	31	-2.0	-117.96	287.35	3.54	-114.42
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1Br	REAL300000405823	0	31	-2.0	-118.93	306.47	3.90	-115.03
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1C	REAL300000405824	0	37	-2.0	-118.77	337.81	3.89	-114.88
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CS1	REAL300000405825	0	31	-2.0	-119.78	314.24	2.39	-117.39
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1F	REAL300000405826	0	34	-2.0	-112.95	326.30	3.38	-109.57
CC1=NC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000405827	0	30	-2.0	-117.42	291.24	1.30	-116.12
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=C1C(=O)[O-]	REAL300000405828	0	32	-2.0	-125.28	309.21	3.88	-121.40
COC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1Br	REAL300000405829	0	32	-2.0	-114.57	316.89	2.68	-111.89
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405830	0	32	-2.0	-121.32	312.93	2.71	-118.61
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405831	0	36	-2.0	-109.00	325.31	5.06	-103.94
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1O	REAL300000405832	0	36	-2.0	-134.04	332.56	-1.13	-135.17
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405835	0	33	-3.0	-183.62	324.87	4.48	-179.14
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405836	0	34	-2.0	-115.68	321.52	4.50	-111.18
CC1=C(Br)SC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405837	0	28	-2.0	-114.42	300.18	3.03	-111.39
CCC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405838	0	34	-2.0	-123.18	309.85	4.14	-119.04
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=C1C(=O)[O-]	REAL300000405839	0	31	-2.0	-118.38	322.62	4.64	-113.74
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405840	0	31	-2.0	-118.17	294.79	3.44	-114.73
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000405841	0	38	-3.0	-174.26	359.16	4.68	-169.58
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405842	0	34	-2.0	-116.26	324.86	2.17	-114.09
CN1N=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=C1C(=O)[O-]	REAL300000405843	0	34	-2.0	-116.64	318.34	1.77	-114.87
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405844	0	30	-3.0	-181.94	306.26	3.36	-178.58
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405845	0	32	-3.0	-178.76	323.63	3.94	-174.82
CN1N=CC([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=C1C(=O)[O-]	REAL300000405846	0	31	-2.0	-123.54	320.32	4.59	-118.95
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405847	0	38	-2.0	-129.68	349.90	3.18	-126.50
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405848	0	40	-2.0	-123.79	353.73	4.69	-119.10
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)=C1C(=O)[O-]	REAL300000405849	0	39	-2.0	-121.02	344.41	3.96	-117.06
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(F)C=C1F	REAL300000405850	0	31	-2.0	-117.76	299.18	3.47	-114.29
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000405851	0	34	-2.0	-130.52	318.75	5.78	-124.74
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000405852	0	34	-2.0	-131.32	308.01	5.03	-126.29
CN1N=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1C(=O)[O-]	REAL300000405853	0	30	-2.0	-119.22	298.95	2.20	-117.02
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1[N+](=O)[O-]	REAL300000405854	0	33	-2.0	-114.18	326.98	4.56	-109.62
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000405855	0	32	-2.0	-108.84	323.62	3.89	-104.95
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000405856	0	35	-2.0	-119.60	344.82	1.80	-117.80
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405857	0	31	-2.0	-117.48	300.12	4.03	-113.45
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C(=O)[O-]	REAL300000405858	0	31	-3.0	-188.08	305.15	0.99	-187.09
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1C(=O)[O-]	REAL300000405859	0	38	-2.0	-126.16	322.26	5.35	-120.81
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405860	0	33	-2.0	-123.99	330.90	2.12	-121.87
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000405861	0	33	-3.0	-181.92	317.59	4.05	-177.87
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1Cl	REAL300000405862	0	35	-2.0	-121.10	337.12	2.23	-118.87
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)O1	REAL300000405863	0	34	-2.0	-115.06	328.37	2.43	-112.63
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405864	0	30	-2.0	-109.42	301.60	3.45	-105.97
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405865	0	33	-2.0	-129.28	321.30	3.68	-125.60
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=CC=C21	REAL300000405866	0	40	-2.0	-120.73	357.70	4.25	-116.48
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405867	0	33	-2.0	-109.18	322.71	4.55	-104.63
CN1N=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)=C1C(=O)[O-]	REAL300000405868	0	31	-2.0	-131.12	309.69	3.43	-127.69
COC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)SC=C1	REAL300000405869	0	29	-2.0	-128.14	289.13	0.99	-127.15
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405870	0	37	-2.0	-124.40	349.14	1.13	-123.27
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)OC2=CC=C(F)C=C12	REAL300000405871	0	34	-2.0	-122.84	323.75	3.81	-119.03
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1C(=O)[O-]	REAL300000405872	0	31	-2.0	-124.36	296.72	3.10	-121.26
CC1=NC2=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=CC=C2C=C1	REAL300000405873	0	36	-2.0	-141.43	328.48	3.94	-137.49
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=CC(Cl)=CC=C2S1	REAL300000405874	0	34	-2.0	-122.76	334.57	5.60	-117.16
CN1N=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)=C1C(=O)[O-]	REAL300000405875	0	39	-2.0	-116.55	350.27	2.21	-114.34
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C(Br)S1	REAL300000405876	0	28	-2.0	-112.30	298.15	3.22	-109.08
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=C1C(=O)[O-]	REAL300000405877	0	34	-2.0	-122.00	322.38	5.45	-116.55
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(Cl)C=C1F	REAL300000405878	0	34	-2.0	-110.58	339.35	3.96	-106.62
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC(F)=C1F	REAL300000405879	0	34	-2.0	-107.72	332.59	3.45	-104.27
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)SC2=CC=CC(F)=C12	REAL300000405880	0	34	-2.0	-125.25	324.46	4.92	-120.33
CN1N=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C#N)=C2)=C1C(=O)[O-]	REAL300000405881	0	29	-2.0	-110.82	309.11	3.71	-107.11
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1F	REAL300000405882	0	33	-2.0	-117.97	320.99	4.08	-113.89
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405883	0	30	-2.0	-126.50	300.21	1.48	-125.02
CN1N=CC([N-]S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000405884	1	36	-2.0	-130.44	331.14	4.62	-125.82
CC1=NN2C=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=NC2=C1Cl	REAL300000405885	0	33	-2.0	-110.25	327.95	2.67	-107.58
CN1N=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)=C1C(=O)[O-]	REAL300000405886	0	28	-2.0	-125.03	286.60	3.65	-121.38
CN1N=CC([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)=C1C(=O)[O-]	REAL300000405887	0	30	-2.0	-113.17	315.24	2.62	-110.55
CN1N=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=C1C(=O)[O-]	REAL300000405888	0	28	-2.0	-110.74	283.01	1.62	-109.12
CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)N=C1Cl	REAL300000405889	0	28	-2.0	-128.78	287.31	1.53	-127.25
COC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC(OC)=C1	REAL300000405890	0	36	-2.0	-125.06	325.96	1.32	-123.74
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405891	0	30	-3.0	-183.92	316.14	3.80	-180.12
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1C(=O)[O-]	REAL300000405892	0	29	-2.0	-127.56	282.81	1.44	-126.12
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1C	REAL300000405893	0	36	-2.0	-136.00	317.27	5.55	-130.45
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)S2)=CS1	REAL300000405894	0	34	-2.0	-120.93	346.42	3.26	-117.67
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=C1C(=O)[O-]	REAL300000405895	0	29	-2.0	-110.70	289.19	0.54	-110.16
CC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000405896	0	27	-2.0	-117.13	275.50	0.54	-116.59
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1Cl	REAL300000405897	0	34	-2.0	-113.20	334.28	3.75	-109.45
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405898	0	33	-2.0	-107.93	314.76	4.20	-103.73
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405899	0	33	-3.0	-196.01	305.47	3.91	-192.10
COCCOCCS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405900	1	35	-2.0	-117.34	319.32	-0.28	-117.62
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=C1C(=O)[O-]	REAL300000405901	0	35	-2.0	-141.29	331.58	0.58	-140.71
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000405902	0	33	-3.0	-193.33	320.27	3.92	-189.41
CC1=CC(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000405902	1	34	-2.0	-101.59	319.23	3.94	-97.65
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405903	0	33	-3.0	-179.23	310.84	4.05	-175.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=C(C(=O)[O-])N(C)N=C1	REAL300000405903	1	34	-2.0	-95.89	309.08	4.07	-91.82
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405904	0	34	-2.0	-131.60	325.91	3.83	-127.77
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C2F)N=C1	REAL300000405905	0	38	-2.0	-116.00	350.56	4.57	-111.43
CN1N=CC([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)=C1C(=O)[O-]	REAL300000405906	0	29	-2.0	-116.99	296.26	3.39	-113.60
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(C)N1	REAL300000405907	0	41	-2.0	-120.90	362.98	3.39	-117.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1F	REAL300000405908	0	31	-2.0	-120.29	299.18	3.48	-116.81
COC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1[N+](=O)[O-]	REAL300000405909	0	34	-2.0	-109.29	322.51	3.45	-105.84
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000405910	0	36	-3.0	-200.00	328.30	4.33	-195.67
CC1=CC(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000405910	1	37	-2.0	-108.65	327.28	4.36	-104.29
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1C(=O)[O-]	REAL300000405911	0	34	-2.0	-132.12	324.71	5.54	-126.58
CN1N=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C(F)=C2)=C1C(=O)[O-]	REAL300000405912	0	34	-2.0	-122.08	332.08	0.25	-121.83
CN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000405913	0	32	-3.0	-191.35	321.98	4.36	-186.99
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1C(=O)[O-]	REAL300000405914	0	31	-2.0	-118.30	312.31	4.20	-114.10
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)=C1C(=O)[O-]	REAL300000405915	0	28	-2.0	-112.61	299.47	3.44	-109.17
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1CC	REAL300000405916	0	40	-2.0	-124.13	344.03	5.28	-118.85
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C(=O)[O-]	REAL300000405917	0	30	-3.0	-181.47	307.19	3.39	-178.08
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC([N+](=O)[O-])=C1F	REAL300000405918	0	33	-2.0	-110.21	320.02	4.03	-106.18
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405919	0	34	-2.0	-126.32	328.93	4.64	-121.68
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1C(=O)[O-]	REAL300000405920	0	27	-2.0	-117.92	285.94	2.15	-115.77
COC(=O)C1=NC=CC2=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=CC=C12	REAL300000405921	0	39	-2.0	-119.01	353.70	3.72	-115.29
CC(C)N1C=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405922	0	34	-2.0	-131.90	312.57	3.09	-128.81
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)SC(S(C)(=O)=O)=C2)=C1C(=O)[O-]	REAL300000405923	0	31	-2.0	-123.26	335.65	-0.18	-123.44
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=N1	REAL300000405924	0	33	-2.0	-111.88	317.69	1.54	-110.34
CN1N=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1C(=O)[O-]	REAL300000405925	0	27	-2.0	-108.87	292.39	1.91	-106.96
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000405926	0	36	-3.0	-200.92	328.96	4.68	-196.24
CC1=CC=C(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000405926	1	37	-2.0	-113.02	328.04	4.66	-108.36
CN1N=CC([N-]S(=O)(=O)C2=C3C=CC=C4C(=O)N(C)C(=C43)C=C2)=C1C(=O)[O-]	REAL300000405927	0	39	-2.0	-121.87	352.74	4.65	-117.22
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000405928	0	33	-3.0	-192.55	320.74	3.96	-188.59
CC1=CC(F)=C(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000405928	1	34	-2.0	-99.07	309.28	3.42	-95.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1Cl	REAL300000405929	0	33	-3.0	-189.28	327.19	4.40	-184.88
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405930	0	33	-3.0	-206.34	320.46	3.96	-202.38
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405930	1	34	-2.0	-107.95	309.00	3.41	-104.54
CN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000405931	0	33	-2.0	-110.18	321.06	4.76	-105.42
CN1N=CN=C1COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405932	0	41	-2.0	-123.35	374.37	4.28	-119.07
CN1N=CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1C(=O)[O-]	REAL300000405933	0	28	-2.0	-107.93	294.20	3.19	-104.74
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405934	0	36	-2.0	-131.99	330.06	3.98	-128.01
COCCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=N1	REAL300000405935	0	35	-2.0	-116.35	326.73	0.32	-116.03
CCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C([N+](=O)[O-])=N1	REAL300000405936	0	33	-2.0	-128.09	317.28	3.56	-124.53
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)=C1C(=O)[O-]	REAL300000405937	0	28	-2.0	-115.36	289.86	3.48	-111.88
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1Br	REAL300000405938	0	31	-2.0	-122.34	301.65	3.98	-118.36
CCCCCCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(=O)NC1=O	REAL300000405939	0	46	-2.0	-124.17	403.20	3.47	-120.70
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000405940	0	36	-3.0	-198.52	329.75	4.45	-194.07
CCC1=CC=C(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000405940	1	37	-2.0	-101.05	328.69	4.48	-96.57
CN1N=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1C(=O)[O-]	REAL300000405941	0	39	-2.0	-118.31	344.12	1.25	-117.06
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1C#N	REAL300000405944	0	32	-2.0	-131.04	304.22	3.51	-127.53
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)=C1C(=O)[O-]	REAL300000405945	0	31	-2.0	-112.74	318.85	4.26	-108.48
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Br)C(Cl)=C2)=C1C(=O)[O-]	REAL300000405946	0	28	-2.0	-111.82	303.10	3.79	-108.03
CCC(=O)NCC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1OC	REAL300000405947	0	45	-2.0	-124.31	397.89	1.87	-122.44
CCOC(=O)C1CC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=CC=C2O1	REAL300000405948	0	42	-2.0	-119.22	380.46	4.96	-114.26
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405949	0	33	-3.0	-178.50	315.48	3.23	-175.27
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=C(C(=O)[O-])N(C)N=C1	REAL300000405949	1	34	-2.0	-90.38	313.75	3.18	-87.20
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=C1C(=O)[O-]	REAL300000405950	0	37	-2.0	-121.55	339.96	4.35	-117.20
CCCN1C=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405951	0	34	-2.0	-131.58	314.45	3.46	-128.12
CN1N=CC([N-]S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)=C1C(=O)[O-]	REAL300000405952	0	36	-2.0	-118.83	345.92	-0.52	-119.35
CN1N=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1C(=O)[O-]	REAL300000405953	0	36	-2.0	-116.54	325.00	0.46	-116.08
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)=C1C(=O)[O-]	REAL300000405954	0	35	-2.0	-122.49	331.32	3.25	-119.24
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405955	0	36	-2.0	-119.85	340.38	4.79	-115.06
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1F	REAL300000405956	0	31	-2.0	-127.95	292.78	3.42	-124.53
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=N1	REAL300000405957	0	34	-2.0	-114.27	315.99	0.33	-113.94
CN1N=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1C(=O)[O-]	REAL300000405958	0	35	-2.0	-135.87	312.91	2.74	-133.13
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1CC(=O)[O-]	REAL300000405959	0	37	-3.0	-204.01	345.90	3.40	-200.61
COC1=CC=C(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)C=C1CC(=O)[O-]	REAL300000405959	1	38	-2.0	-115.28	344.87	3.42	-111.86
COCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405960	0	35	-2.0	-121.03	322.03	2.44	-118.59
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405961	0	33	-2.0	-121.56	306.24	-0.28	-121.84
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1Cl	REAL300000405962	0	31	-2.0	-123.47	298.83	3.85	-119.62
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=C1C(=O)[O-]	REAL300000405963	0	34	-2.0	-127.41	313.21	0.38	-127.03
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=C1C(=O)[O-]	REAL300000405964	0	36	-2.0	-122.08	320.67	3.34	-118.74
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C2)CC1	REAL300000405965	0	41	-2.0	-122.56	365.31	5.34	-117.22
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405966	0	37	-2.0	-117.09	350.03	4.36	-112.73
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405967	0	35	-2.0	-120.80	313.56	2.74	-118.06
CCC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C(C(=O)OC)O1	REAL300000405968	0	37	-2.0	-112.30	343.95	3.12	-109.18
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000405969	0	38	-2.0	-119.62	336.23	3.56	-116.06
CC1=C(C)SC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405970	0	31	-2.0	-121.90	300.60	3.12	-118.78
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1C(=O)[O-]	REAL300000405971	0	31	-2.0	-117.09	293.01	1.37	-115.72
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=NC=CC=C2C=C1	REAL300000405972	0	36	-2.0	-139.38	320.59	4.47	-134.91
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1C(=O)[O-]	REAL300000405973	0	34	-2.0	-126.93	316.24	4.74	-122.19
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=CC=CC=C12	REAL300000405974	0	41	-2.0	-137.60	361.38	4.07	-133.53
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)=C1C(=O)[O-]	REAL300000405975	0	34	-2.0	-111.17	335.57	0.80	-110.37
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405976	0	34	-2.0	-125.33	318.60	4.19	-121.14
CN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1C(=O)[O-]	REAL300000405977	0	30	-2.0	-106.42	299.72	3.40	-103.02
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N3CCCC3)C(F)=C2)=C1C(=O)[O-]	REAL300000405978	0	42	-2.0	-120.41	372.85	3.91	-116.50
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405979	0	33	-3.0	-187.32	321.69	4.46	-182.86
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000405980	0	28	-2.0	-111.94	290.12	3.30	-108.64
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(C)O1	REAL300000405981	0	34	-2.0	-113.16	324.80	2.27	-110.89
CN1N=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000405982	0	27	-2.0	-111.79	278.73	1.41	-110.38
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000405983	0	33	-3.0	-175.77	325.55	4.07	-171.70
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000405984	0	33	-3.0	-192.99	326.66	4.22	-188.77
CCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)N=C1C	REAL300000405985	0	34	-2.0	-134.58	312.67	2.51	-132.07
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405986	0	31	-2.0	-121.66	304.87	4.08	-117.58
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405987	0	31	-2.0	-122.76	301.52	3.94	-118.82
CCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000405988	0	34	-3.0	-194.91	323.45	3.49	-191.42
COC(=O)C1=COC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405989	0	31	-2.0	-119.06	306.85	1.45	-117.61
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405990	0	40	-2.0	-121.88	346.46	3.27	-118.61
COC1=CC(Br)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405991	0	32	-2.0	-118.34	317.77	2.63	-115.71
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CN1C	REAL300000405992	0	38	-2.0	-123.81	350.00	3.74	-120.07
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000405993	0	36	-2.0	-117.23	326.65	4.65	-112.58
CN1N=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1C(=O)[O-]	REAL300000405994	0	28	-2.0	-125.79	283.02	3.50	-122.29
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(Cl)=N1	REAL300000405995	0	30	-2.0	-120.50	296.86	2.03	-118.47
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000405996	0	33	-2.0	-119.11	316.01	2.92	-116.19
CN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)=C1C(=O)[O-]	REAL300000405997	0	35	-2.0	-122.04	332.03	3.90	-118.14
CSC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1Cl	REAL300000405998	0	32	-2.0	-117.47	322.18	4.18	-113.29
CCC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000405999	0	30	-2.0	-116.64	296.98	1.29	-115.35
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C12	REAL300000406000	0	35	-2.0	-110.11	328.21	0.42	-109.69
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000406001	0	30	-2.0	-114.79	305.09	3.04	-111.75
COC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CN=C1Cl	REAL300000406003	0	31	-2.0	-110.20	307.81	0.68	-109.52
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=CC=C21	REAL300000406004	0	37	-2.0	-116.98	342.91	3.67	-113.31
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)=C1C(=O)[O-]	REAL300000406005	0	43	-2.0	-117.56	380.72	3.15	-114.41
CN1N=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)=C1C(=O)[O-]	REAL300000406006	0	40	-2.0	-120.24	351.16	4.19	-116.05
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1C(=O)[O-]	REAL300000406007	0	30	-2.0	-109.52	301.68	1.95	-107.57
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406008	0	34	-2.0	-117.55	328.17	3.43	-114.12
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000406009	0	42	-3.0	-204.62	360.58	6.14	-198.48
CC1=CC(C)=C(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000406009	1	43	-2.0	-104.50	356.13	5.95	-98.55
CN1N=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=C1C(=O)[O-]	REAL300000406010	0	31	-2.0	-118.36	312.32	-0.06	-118.42
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406011	0	43	-2.0	-120.74	358.52	3.70	-117.04
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=C1F	REAL300000406012	0	35	-2.0	-117.45	317.05	2.82	-114.63
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=C1C(=O)[O-]	REAL300000406013	0	29	-2.0	-112.67	300.85	3.66	-109.01
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1C(=O)[O-]	REAL300000406014	0	30	-3.0	-178.89	321.04	3.82	-175.07
CN1N=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1C(=O)[O-]	REAL300000406014	1	31	-2.0	-92.19	309.54	3.27	-88.92
CN1N=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1C(=O)[O-]	REAL300000406016	0	31	-2.0	-131.45	294.90	3.03	-128.42
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406017	0	33	-2.0	-117.09	316.94	1.57	-115.52
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406018	0	39	-2.0	-131.77	357.11	2.83	-128.94
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1C(=O)[O-]	REAL300000406019	0	25	-2.0	-114.64	271.35	1.44	-113.20
CC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(C2=CC=CC=C2)S1	REAL300000406020	0	37	-2.0	-135.70	350.16	4.14	-131.56
CC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(C2=CC=CC=C2)O1	REAL300000406021	0	37	-2.0	-135.18	343.01	1.69	-133.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1[N+](=O)[O-]	REAL300000406022	0	36	-2.0	-116.53	329.37	4.78	-111.75
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Br)=C1C(=O)[O-]	REAL300000406023	0	28	-2.0	-118.65	298.29	3.86	-114.79
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406024	0	38	-2.0	-129.53	330.52	4.48	-125.05
CN1N=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1C(=O)[O-]	REAL300000406025	0	28	-2.0	-117.46	288.04	3.12	-114.34
CN1N=CC([N-]S(=O)(=O)CC2CCCOC2)=C1C(=O)[O-]	REAL300000406026	1	35	-2.0	-117.38	300.12	1.46	-115.92
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000406027	0	36	-2.0	-124.41	319.45	3.13	-121.28
CN1N=CC([N-]S(=O)(=O)CCC2=CC=CS2)=C1C(=O)[O-]	REAL300000406028	1	31	-2.0	-116.39	301.83	3.32	-113.07
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406029	0	40	-2.0	-122.35	359.05	5.07	-117.28
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1C(=O)[O-]	REAL300000406030	0	28	-2.0	-113.20	302.14	3.82	-109.38
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406031	0	28	-2.0	-114.06	295.95	2.93	-111.13
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(OC)=C1	REAL300000406032	0	38	-2.0	-122.68	349.96	3.18	-119.50
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1C(=O)[O-]	REAL300000406033	0	31	-2.0	-127.37	301.13	3.64	-123.73
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1C(=O)[O-]	REAL300000406034	0	31	-2.0	-116.46	311.20	3.77	-112.69
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406035	0	31	-2.0	-118.26	309.68	3.99	-114.27
CN1N=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1C(=O)[O-]	REAL300000406036	0	31	-2.0	-116.92	304.90	1.60	-115.32
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406037	0	32	-2.0	-127.72	303.05	3.78	-123.94
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406038	0	39	-2.0	-142.75	351.11	2.53	-140.22
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=C1C(=O)[O-]	REAL300000406039	0	31	-2.0	-120.54	312.34	-0.06	-120.60
COC(=O)C(CS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1)C1=CC=CC=C1	REAL300000406040	1	40	-2.0	-118.01	354.38	5.54	-112.47
CN1N=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000406041	0	36	-2.0	-115.94	336.41	4.00	-111.94
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406042	0	37	-2.0	-123.99	320.96	4.72	-119.27
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)=C1C(=O)[O-]	REAL300000406043	0	42	-2.0	-128.84	382.05	6.09	-122.75
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=CS1	REAL300000406044	0	34	-2.0	-131.99	322.20	3.90	-128.09
COC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1F	REAL300000406045	0	32	-2.0	-113.49	302.69	2.07	-111.42
CN1N=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1C(=O)[O-]	REAL300000406046	0	27	-2.0	-128.47	279.66	3.13	-125.34
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406047	0	36	-2.0	-126.51	340.33	4.79	-121.72
CN1N=CC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=CN=C21	REAL300000406048	0	33	-2.0	-115.63	311.32	1.85	-113.78
CN1N=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000406049	0	27	-2.0	-110.68	288.14	2.47	-108.21
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OCC2)=C1C(=O)[O-]	REAL300000406050	1	37	-2.0	-123.85	328.05	4.19	-119.66
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000406051	0	36	-2.0	-121.75	334.14	0.93	-120.82
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000406052	0	31	-2.0	-111.23	322.44	4.22	-107.01
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406053	0	39	-2.0	-143.15	349.18	1.11	-142.04
COC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1[N+](=O)[O-]	REAL300000406054	0	34	-2.0	-108.87	330.45	3.54	-105.33
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1[N+](=O)[O-]	REAL300000406055	0	38	-2.0	-114.46	357.70	2.06	-112.40
CN1N=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1C(=O)[O-]	REAL300000406056	0	32	-2.0	-125.61	295.09	2.15	-123.46
CN1N=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=C1C(=O)[O-]	REAL300000406057	0	29	-2.0	-115.59	300.90	3.66	-111.93
CN1N=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1C(=O)[O-]	REAL300000406058	0	31	-2.0	-116.59	310.93	1.78	-114.81
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406059	0	34	-2.0	-117.34	295.32	4.38	-112.96
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406060	0	36	-2.0	-136.07	320.94	3.25	-132.82
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406061	0	31	-2.0	-125.95	286.56	3.68	-122.27
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406062	0	31	-2.0	-114.11	303.75	4.10	-110.01
CN1N=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1C(=O)[O-]	REAL300000406063	0	32	-2.0	-136.63	305.37	2.80	-133.83
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406064	0	41	-2.0	-120.50	357.16	4.18	-116.32
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)=C1C(=O)[O-]	REAL300000406065	0	28	-2.0	-118.24	293.76	3.39	-114.85
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=CC=C12	REAL300000406066	0	36	-2.0	-139.73	324.85	3.88	-135.85
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)=C1C(=O)[O-]	REAL300000406068	0	32	-2.0	-124.32	318.23	-0.00	-124.32
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1C(=O)[O-]	REAL300000406069	0	29	-2.0	-129.17	291.74	1.03	-128.14
COC1=CN=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406070	0	31	-2.0	-117.90	291.56	0.19	-117.71
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)=C1C(=O)[O-]	REAL300000406071	0	28	-2.0	-123.40	293.04	3.38	-120.02
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1OC	REAL300000406072	0	38	-2.0	-117.00	349.04	3.42	-113.58
COCCOCCOCCS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406073	1	42	-2.0	-119.42	374.80	0.04	-119.38
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406074	0	38	-2.0	-136.53	355.91	0.04	-136.49
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1)OCO2	REAL300000406075	0	34	-2.0	-116.84	308.46	2.15	-114.69
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406076	0	34	-2.0	-116.88	316.46	3.98	-112.90
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000406077	0	33	-3.0	-189.65	329.20	4.34	-185.31
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000406078	0	38	-2.0	-121.27	337.98	2.55	-118.72
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406079	0	37	-2.0	-136.41	334.07	5.05	-131.36
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406080	0	36	-2.0	-142.76	328.15	0.27	-142.49
CN1N=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=C1C(=O)[O-]	REAL300000406081	0	34	-2.0	-128.15	328.18	4.26	-123.89
CN1N=CC([N-]S(=O)(=O)CC2=CC=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000406082	1	31	-2.0	-117.73	306.83	3.96	-113.77
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000406083	0	31	-2.0	-124.39	311.92	0.20	-124.19
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000406083	1	30	-3.0	-188.98	308.64	-0.93	-189.91
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1F	REAL300000406084	0	35	-2.0	-120.46	328.14	1.73	-118.73
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1OC	REAL300000406085	0	36	-2.0	-118.51	338.78	2.48	-116.03
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1C(=O)[O-]	REAL300000406086	0	32	-2.0	-116.57	312.44	2.35	-114.22
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=C1C(=O)[O-]	REAL300000406087	0	31	-2.0	-109.54	311.30	3.77	-105.77
CN1N=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000406088	0	39	-3.0	-188.36	344.86	5.39	-182.97
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(Br)=C1	REAL300000406089	0	32	-2.0	-118.84	312.92	2.71	-116.13
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)=C1C(=O)[O-]	REAL300000406090	0	34	-2.0	-128.58	325.90	2.31	-126.27
CN1N=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)=C1C(=O)[O-]	REAL300000406091	0	33	-2.0	-124.64	323.74	-1.67	-126.31
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=C1C(=O)[O-]	REAL300000406092	0	32	-2.0	-126.10	295.15	4.00	-122.10
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C	REAL300000406093	0	39	-2.0	-119.93	358.33	-0.20	-120.13
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=C1C(=O)[O-]	REAL300000406094	0	32	-2.0	-124.82	309.23	3.87	-120.95
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1C(=O)[O-]	REAL300000406095	0	28	-2.0	-114.58	296.83	3.78	-110.80
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406096	0	34	-2.0	-114.20	303.62	4.50	-109.70
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(N)=NO1	REAL300000406097	0	29	-2.0	-111.06	274.51	0.08	-110.98
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Br)=C1C(=O)[O-]	REAL300000406098	0	28	-2.0	-115.64	300.19	3.94	-111.70
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1)OCC(=O)N2	REAL300000406099	0	38	-2.0	-123.96	345.93	-0.25	-124.21
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=C1C(=O)[O-]	REAL300000406100	0	28	-2.0	-112.68	296.98	4.09	-108.59
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Br)=C1C(=O)[O-]	REAL300000406101	0	28	-2.0	-113.49	300.18	3.93	-109.56
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406102	0	32	-2.0	-123.73	311.95	3.04	-120.69
CN1N=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000406103	0	29	-2.0	-115.78	294.47	1.49	-114.29
CN1N=CC([N-]S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)=C1C(=O)[O-]	REAL300000406105	0	39	-2.0	-120.28	348.21	3.46	-116.82
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406106	0	35	-2.0	-122.64	311.93	2.78	-119.86
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Br)=C2)=C1C(=O)[O-]	REAL300000406107	0	29	-2.0	-109.43	307.47	3.60	-105.83
CN1N=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)=C1C(=O)[O-]	REAL300000406108	0	30	-2.0	-107.19	320.76	4.31	-102.88
COC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1Cl	REAL300000406109	0	35	-2.0	-116.25	327.53	3.37	-112.88
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000406110	0	34	-2.0	-109.79	345.16	3.51	-106.28
CN1N=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)=C1C(=O)[O-]	REAL300000406111	0	30	-2.0	-111.24	316.86	3.94	-107.30
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=C1C(=O)[O-]	REAL300000406112	0	26	-2.0	-110.51	279.48	2.26	-108.25
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)=C1C(=O)[O-]	REAL300000406113	0	30	-2.0	-107.53	313.13	3.82	-103.71
CC1=CC(F)=C(Br)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406114	0	31	-2.0	-110.05	309.03	4.18	-105.87
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1C(=O)[O-]	REAL300000406115	0	33	-2.0	-121.94	308.16	3.08	-118.86
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000406116	0	34	-3.0	-192.61	335.74	3.90	-188.71
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(F)=C1	REAL300000406117	0	34	-2.0	-120.51	327.22	3.43	-117.08
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1F	REAL300000406118	0	34	-2.0	-114.45	326.29	3.39	-111.06
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406119	0	36	-2.0	-129.28	343.11	4.55	-124.73
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1C#N	REAL300000406120	0	32	-2.0	-112.75	306.95	3.60	-109.15
CN1N=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1C(=O)[O-]	REAL300000406121	0	27	-2.0	-105.80	284.70	1.40	-104.40
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Br)=C2)=C1C(=O)[O-]	REAL300000406122	0	28	-2.0	-111.93	303.10	3.79	-108.14
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(F)=C1	REAL300000406123	0	32	-2.0	-123.88	301.95	2.07	-121.81
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1[N+](=O)[O-]	REAL300000406124	0	36	-2.0	-134.02	327.76	5.90	-128.12
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1C(=O)[O-]	REAL300000406125	0	34	-2.0	-120.58	327.95	4.49	-116.09
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406126	0	38	-2.0	-105.75	353.67	5.55	-100.20
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1C(=O)[O-]	REAL300000406127	0	34	-2.0	-120.46	312.69	3.22	-117.24
CN1N=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)=C1C(=O)[O-]	REAL300000406128	0	32	-2.0	-126.53	314.72	3.60	-122.93
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1C(=O)[O-]	REAL300000406129	0	31	-2.0	-119.30	301.13	3.64	-115.66
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1C(=O)[O-]	REAL300000406130	0	38	-2.0	-127.31	341.16	6.12	-121.19
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406131	0	37	-2.0	-125.05	349.08	4.34	-120.71
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CN1C	REAL300000406132	0	40	-2.0	-121.24	368.98	3.92	-117.32
CN1N=CC([N-]S(=O)(=O)CCC2=CC=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000406133	1	34	-2.0	-116.21	328.33	4.74	-111.47
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(F)C=C1C	REAL300000406134	0	40	-2.0	-120.75	365.11	4.89	-115.86
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406135	0	42	-2.0	-132.36	378.51	0.90	-131.46
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406136	0	39	-2.0	-129.77	350.29	2.23	-127.54
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000406137	0	33	-3.0	-180.26	311.44	3.81	-176.45
CC1=CC(S(=O)(=O)NC2=C(C(=O)[O-])N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000406137	1	34	-2.0	-98.18	314.44	3.94	-94.24
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=N1	REAL300000406138	0	31	-2.0	-114.18	294.14	-0.60	-114.78
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1C(=O)[O-]	REAL300000406139	0	28	-2.0	-120.65	289.19	3.29	-117.36
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)=C1C(=O)[O-]	REAL300000406141	0	30	-2.0	-116.55	314.52	4.55	-112.00
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406142	0	39	-2.0	-117.81	345.10	3.79	-114.02
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C2CC1	REAL300000406143	0	45	-2.0	-130.06	380.11	4.66	-125.40
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406144	0	37	-2.0	-122.79	344.50	5.48	-117.31
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406145	0	37	-2.0	-122.73	340.32	5.19	-117.54
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000406146	0	31	-2.0	-118.12	309.56	4.61	-113.51
CN1N=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C1C(=O)[O-]	REAL300000406147	0	31	-2.0	-123.89	303.58	4.08	-119.81
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406148	0	40	-2.0	-126.81	365.79	5.07	-121.74
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406149	0	34	-2.0	-135.07	323.66	4.81	-130.26
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)N(C)N=C1	REAL300000406150	0	37	-2.0	-121.26	337.03	2.78	-118.48
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406151	0	41	-2.0	-129.19	371.76	4.10	-125.09
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1C	REAL300000406152	0	40	-2.0	-119.17	359.67	4.82	-114.35
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=C1C(=O)[O-]	REAL300000406153	0	39	-2.0	-135.68	344.69	3.93	-131.75
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)=C1C(=O)[O-]	REAL300000406154	0	32	-2.0	-108.50	323.62	3.89	-104.61
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1C(=O)[O-]	REAL300000406155	0	31	-2.0	-125.81	293.57	1.36	-124.45
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2C#N)=C1C(=O)[O-]	REAL300000406156	0	29	-2.0	-126.02	304.74	3.51	-122.51
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406157	0	34	-2.0	-112.32	321.51	4.49	-107.83
CCOC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406158	0	35	-2.0	-124.10	318.32	2.93	-121.17
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1C(=O)[O-]	REAL300000406159	0	28	-2.0	-121.67	289.30	3.58	-118.09
COC1=NC=C(Br)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406160	0	31	-2.0	-118.66	314.25	0.49	-118.17
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406161	0	34	-2.0	-147.73	311.36	0.32	-147.41
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C2C=C1	REAL300000406162	0	37	-2.0	-125.17	334.26	5.65	-119.52
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1C(=O)[O-]	REAL300000406163	0	25	-2.0	-117.63	274.95	2.17	-115.46
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406164	0	37	-2.0	-116.66	350.78	4.59	-112.07
CC1=CSC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406165	0	28	-2.0	-119.77	280.55	2.37	-117.40
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)NC3CC3)C=C2)=C1C(=O)[O-]	REAL300000406166	0	43	-2.0	-125.59	388.57	3.26	-122.33
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000406167	0	41	-2.0	-125.61	363.41	3.07	-122.54
CN1N=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1C(=O)[O-]	REAL300000406168	0	25	-2.0	-116.17	265.26	-0.48	-116.65
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=C1C(=O)[O-]	REAL300000406169	0	33	-2.0	-129.95	321.48	3.77	-126.18
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1C(=O)[O-]	REAL300000406170	0	27	-2.0	-116.14	273.89	0.82	-115.32
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406171	0	35	-2.0	-117.11	335.20	3.01	-114.10
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406172	0	37	-2.0	-116.24	331.40	1.77	-114.47
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=N1	REAL300000406173	0	37	-2.0	-114.89	336.13	1.26	-113.63
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000406174	0	35	-3.0	-194.67	336.15	5.46	-189.21
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C1C(=O)[O-]	REAL300000406176	0	36	-2.0	-119.43	327.50	3.68	-115.75
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1C(=O)[O-]	REAL300000406177	0	31	-2.0	-117.70	303.15	3.17	-114.53
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1C(=O)[O-]	REAL300000406178	0	31	-2.0	-124.12	318.26	4.77	-119.35
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406179	0	33	-2.0	-131.31	308.13	2.31	-129.00
CC1=NSC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406180	0	27	-2.0	-113.16	275.45	1.00	-112.16
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000406181	0	30	-2.0	-117.59	310.64	4.71	-112.88
CN1N=CC([N-]S(=O)(=O)C2=CNC(=O)S2)=C1C(=O)[O-]	REAL300000406182	0	25	-2.0	-113.20	263.80	-1.40	-114.60
CN1N=CC([N-]S(=O)(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)=C1C(=O)[O-]	REAL300000406183	0	38	-2.0	-128.49	358.98	3.55	-124.94
CN1N=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=C1C(=O)[O-]	REAL300000406184	0	32	-2.0	-114.51	315.47	1.42	-113.09
CN1N=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1C(=O)[O-]	REAL300000406184	1	31	-3.0	-212.85	311.89	2.29	-210.56
CN1N=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000406185	0	34	-2.0	-115.82	322.88	4.11	-111.71
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)=C1C(=O)[O-]	REAL300000406186	0	30	-2.0	-111.40	315.76	2.51	-108.89
CN1N=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1C(=O)[O-]	REAL300000406187	0	32	-2.0	-148.69	298.15	-0.01	-148.70
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1C(=O)[O-]	REAL300000406188	0	35	-2.0	-121.70	316.18	4.81	-116.89
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406189	0	37	-2.0	-117.61	360.35	4.80	-112.81
CN1N=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1C(=O)[O-]	REAL300000406190	0	25	-2.0	-119.48	265.25	1.76	-117.72
CC1=CC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=CC=C2NC1=O	REAL300000406191	0	37	-2.0	-116.54	338.46	2.46	-114.08
CN1N=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1C(=O)[O-]	REAL300000406192	0	34	-2.0	-134.74	327.79	1.14	-133.60
CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C(F)(F)F)=N1	REAL300000406193	0	31	-2.0	-121.02	305.60	1.56	-119.46
CN1N=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1C(=O)[O-]	REAL300000406194	0	37	-2.0	-120.50	331.81	4.30	-116.20
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=C1C(=O)[O-]	REAL300000406195	0	29	-2.0	-109.32	293.68	3.14	-106.18
COC(CS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1)C1=CC=CC=C1	REAL300000406196	0	38	-2.0	-120.80	341.72	3.76	-117.04
COC(=O)C1(CS(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)CCCCC1	REAL300000406197	1	43	-2.0	-123.11	352.52	4.22	-118.89
CN1N=CC([N-]S(=O)(=O)CCC2=CC=CC=C2Br)=C1C(=O)[O-]	REAL300000406198	1	34	-2.0	-119.60	327.78	4.67	-114.93
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000406199	0	33	-2.0	-112.93	316.67	3.95	-108.98
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406200	0	33	-3.0	-187.77	314.96	4.12	-183.65
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C(=O)[O-])N(C)N=C1	REAL300000406200	1	34	-2.0	-96.12	313.19	4.07	-92.05
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1C(=O)[O-]	REAL300000406201	0	29	-2.0	-119.90	299.85	2.01	-117.89
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000406202	0	32	-3.0	-209.57	319.17	5.14	-204.43
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)=C1C(=O)[O-]	REAL300000406203	0	32	-2.0	-121.92	318.25	2.57	-119.35
CC1=CC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=CC=C2N=C1Cl	REAL300000406204	0	36	-2.0	-117.22	343.45	4.11	-113.11
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(F)C=C1C	REAL300000406205	0	37	-2.0	-120.52	343.25	3.96	-116.56
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1C(=O)[O-]	REAL300000406206	0	28	-2.0	-111.40	299.55	2.90	-108.50
CN1N=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1C(=O)[O-]	REAL300000406207	0	33	-2.0	-126.08	303.96	-0.37	-126.45
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000406208	0	31	-2.0	-121.60	296.58	3.35	-118.25
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CN=C1C	REAL300000406209	0	36	-2.0	-112.97	333.24	2.06	-110.91
CN1N=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000406210	0	29	-2.0	-109.12	290.36	1.56	-107.56
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000406211	0	40	-2.0	-125.11	370.62	1.92	-123.19
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406212	0	30	-2.0	-111.12	294.52	2.09	-109.03
CC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(Br)N1C	REAL300000406213	0	31	-2.0	-131.96	308.67	2.10	-129.86
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1C(F)(F)F	REAL300000406214	0	34	-2.0	-113.60	321.39	4.22	-109.38
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406215	0	37	-2.0	-126.98	343.92	4.14	-122.84
CN1N=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(Br)=C2)=C1C(=O)[O-]	REAL300000406216	0	27	-2.0	-107.13	298.27	1.90	-105.23
CN1N=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1C(=O)[O-]	REAL300000406217	0	30	-2.0	-110.24	306.73	2.57	-107.67
CCOC(=O)CC1(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)CC1	REAL300000406219	1	37	-2.0	-128.86	328.99	4.35	-124.51
C=CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000406220	0	32	-2.0	-122.19	298.04	3.79	-118.40
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(S(C)(=O)=O)=C2)=C1C(=O)[O-]	REAL300000406221	0	34	-2.0	-120.84	337.49	0.64	-120.20
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406222	0	41	-2.0	-133.65	359.12	3.55	-130.10
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406223	0	35	-2.0	-120.27	338.78	2.94	-117.33
CN1N=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=C1C(=O)[O-]	REAL300000406224	0	28	-2.0	-110.35	282.82	1.31	-109.04
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)OC(C)C	REAL300000406225	0	43	-2.0	-119.92	379.91	5.53	-114.39
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406226	1	36	-2.0	-118.28	315.24	2.65	-115.63
CN1N=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=C1C(=O)[O-]	REAL300000406227	0	33	-2.0	-118.06	313.40	-0.09	-118.15
CN1N=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000406228	0	28	-2.0	-117.39	283.99	0.26	-117.13
CN1N=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000406229	0	34	-2.0	-116.17	313.28	2.64	-113.53
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406230	0	41	-2.0	-120.26	376.82	3.07	-117.19
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406231	0	44	-2.0	-120.65	398.69	4.00	-116.65
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=CC=C12	REAL300000406232	0	42	-2.0	-127.33	361.43	4.88	-122.45
CN1N=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)=C1C(=O)[O-]	REAL300000406233	0	39	-2.0	-112.08	363.47	2.53	-109.55
COC(=O)C1(CS(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)CCCC1	REAL300000406234	1	40	-2.0	-122.19	340.29	3.81	-118.38
CN1N=CC([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)=C1C(=O)[O-]	REAL300000406235	0	30	-2.0	-118.31	315.15	2.62	-115.69
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1Cl	REAL300000406236	0	36	-2.0	-123.19	340.74	2.37	-120.82
CN1N=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1C(=O)[O-]	REAL300000406237	0	36	-2.0	-110.85	338.12	1.27	-109.58
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1C(=O)[O-]	REAL300000406238	0	35	-2.0	-127.42	322.96	2.46	-124.96
CN1N=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=C1C(=O)[O-]	REAL300000406239	0	31	-2.0	-115.61	304.20	0.28	-115.33
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406240	0	41	-2.0	-122.12	362.22	4.03	-118.09
COC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1Cl	REAL300000406241	0	32	-2.0	-114.47	312.50	2.57	-111.90
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)=C1C(=O)[O-]	REAL300000406242	0	32	-2.0	-128.90	318.55	-0.65	-129.55
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C(=O)[O-]	REAL300000406243	0	30	-3.0	-205.10	299.06	3.29	-201.81
CN1N=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C(=O)[O-]	REAL300000406243	1	31	-2.0	-107.62	287.61	2.75	-104.87
CN1N=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1C(=O)[O-]	REAL300000406244	0	25	-2.0	-126.75	267.43	0.66	-126.09
CN1N=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1C(=O)[O-]	REAL300000406245	0	30	-2.0	-133.05	298.17	2.13	-130.92
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1C(=O)[O-]	REAL300000406246	0	33	-2.0	-124.27	302.78	2.55	-121.72
CN1N=CC([N-]S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000406247	1	35	-2.0	-120.55	317.05	4.86	-115.69
CN1N=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1C(=O)[O-]	REAL300000406248	0	34	-2.0	-131.63	317.49	5.02	-126.61
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1C(=O)[O-]	REAL300000406249	0	31	-2.0	-125.95	307.11	1.80	-124.15
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406250	0	34	-2.0	-130.31	335.39	4.25	-126.06
CCC1=CC(CC)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(CC)=C1	REAL300000406251	0	46	-2.0	-124.63	374.75	7.35	-117.28
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000406252	0	33	-2.0	-123.03	324.26	5.11	-117.92
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406253	0	31	-2.0	-122.41	294.11	4.20	-118.21
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(F)C=C1Br	REAL300000406254	0	31	-2.0	-119.50	311.95	3.96	-115.54
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1C(=O)[O-]	REAL300000406255	0	32	-2.0	-117.66	311.39	2.84	-114.82
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1C(=O)[O-]	REAL300000406256	0	33	-2.0	-131.94	303.22	2.54	-129.40
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1F	REAL300000406257	0	37	-2.0	-122.50	349.38	4.20	-118.30
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=CC=CC(C)=C2S1	REAL300000406258	0	37	-2.0	-124.28	336.87	5.73	-118.55
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)=C1C(=O)[O-]	REAL300000406259	0	32	-2.0	-118.06	321.71	3.29	-114.77
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406260	1	41	-2.0	-120.12	355.65	4.11	-116.01
COC(CC(C)C)CS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406261	1	40	-2.0	-121.51	337.44	2.94	-118.57
CN1N=CC([N-]S(=O)(=O)CCOCC2CC2)=C1C(=O)[O-]	REAL300000406262	1	35	-2.0	-114.61	317.38	2.04	-112.57
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(F)=C1	REAL300000406264	0	31	-2.0	-128.27	296.87	3.67	-124.60
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C1=CC=CC=C1	REAL300000406265	0	42	-2.0	-124.22	375.16	5.77	-118.45
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1C(=O)[O-]	REAL300000406266	0	27	-2.0	-112.50	292.01	1.91	-110.59
CN1N=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1Br	REAL300000406267	0	28	-2.0	-113.73	290.53	0.86	-112.87
CN1N=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=C1C(=O)[O-]	REAL300000406268	0	33	-2.0	-120.21	310.82	1.16	-119.05
CN1N=CC([N-]S(=O)(=O)N=S(C)(=O)C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000406269	0	35	-2.0	-145.31	329.15	1.44	-143.87
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)[O-]	REAL300000406270	0	33	-3.0	-187.39	320.39	3.94	-183.45
COC(CS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1)C1CC1	REAL300000406271	1	35	-2.0	-119.40	309.76	2.06	-117.34
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406272	0	32	-2.0	-123.68	301.63	2.58	-121.10
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=C1C(=O)[O-]	REAL300000406273	0	31	-2.0	-110.23	306.59	1.81	-108.42
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1[N+](=O)[O-]	REAL300000406274	0	36	-2.0	-119.21	329.52	4.55	-114.66
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406275	0	44	-2.0	-130.74	371.39	4.84	-125.90
COC(CS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1)C1CCOCC1	REAL300000406276	1	42	-2.0	-119.26	349.71	1.11	-118.15
COC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1Cl	REAL300000406277	0	31	-2.0	-110.81	310.22	-0.06	-110.87
CN1N=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000406278	0	32	-2.0	-116.39	316.72	0.86	-115.53
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1Cl	REAL300000406279	0	31	-2.0	-115.73	302.43	3.81	-111.92
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1C(=O)[O-]	REAL300000406280	0	34	-2.0	-130.95	315.06	3.69	-127.26
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C2)=N1	REAL300000406281	0	37	-2.0	-120.20	353.21	4.18	-116.02
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1F	REAL300000406282	0	34	-2.0	-123.76	342.11	3.89	-119.87
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406283	0	37	-2.0	-126.76	347.52	4.06	-122.70
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C([N+](=O)[O-])S1	REAL300000406284	0	30	-2.0	-128.50	301.55	3.93	-124.57
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406285	1	33	-2.0	-137.77	308.49	-1.33	-139.10
CN1N=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000406286	0	30	-2.0	-109.84	305.47	2.71	-107.13
CN1N=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1C(=O)[O-]	REAL300000406287	0	31	-2.0	-114.59	308.98	0.90	-113.69
CN1N=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1C(=O)[O-]	REAL300000406288	0	27	-2.0	-124.53	267.47	0.89	-123.64
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1C(=O)[O-]	REAL300000406291	0	27	-2.0	-110.25	268.37	0.87	-109.38
CN1N=CC([N-]S(=O)(=O)CCOCC2CCC2)=C1C(=O)[O-]	REAL300000406292	1	38	-2.0	-114.66	333.95	2.57	-112.09
CN1N=CC([N-]S(=O)(=O)C2=CC(C3=CC=C([N+](=O)[O-])C=C3)=NO2)=C1C(=O)[O-]	REAL300000406293	0	36	-2.0	-109.96	352.10	4.39	-105.57
CN1N=CC([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=C1C(=O)[O-]	REAL300000406294	0	30	-2.0	-119.23	317.55	2.70	-116.53
CN1N=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=C1C(=O)[O-]	REAL300000406295	0	26	-2.0	-124.48	277.36	2.11	-122.37
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406296	0	35	-2.0	-125.33	334.75	4.47	-120.86
COC(CS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1)C(C)C	REAL300000406298	1	37	-2.0	-118.87	317.88	1.96	-116.91
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1C(=O)[O-]	REAL300000406299	0	28	-2.0	-111.35	289.57	3.28	-108.07
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1C(=O)[O-]	REAL300000406300	0	37	-2.0	-130.96	328.66	3.07	-127.89
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=C1C(=O)[O-]	REAL300000406301	0	35	-2.0	-125.25	332.08	0.57	-124.68
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1C(=O)[O-]	REAL300000406302	0	36	-2.0	-131.75	319.15	3.93	-127.82
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406303	0	38	-2.0	-121.87	339.90	1.62	-120.25
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(F)=C1	REAL300000406304	0	37	-2.0	-118.12	349.08	4.36	-113.76
CN1N=CC([N-]S(=O)(=O)CCC2=CC=CC=C2F)=C1C(=O)[O-]	REAL300000406307	1	34	-2.0	-121.00	317.16	4.26	-116.74
CN1N=CC([N-]S(=O)(=O)CCC2=CC=CC=C2Cl)=C1C(=O)[O-]	REAL300000406308	1	34	-2.0	-119.82	324.27	4.60	-115.22
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1)C(=O)NCCC2	REAL300000406309	0	43	-2.0	-134.29	371.33	1.60	-132.69
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)S2)C1	REAL300000406310	0	39	-2.0	-120.74	356.75	3.15	-117.59
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000406311	0	43	-2.0	-124.54	376.82	5.05	-119.49
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Br)=C2)=C1C(=O)[O-]	REAL300000406313	0	28	-2.0	-112.39	305.01	3.84	-108.55
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406314	0	35	-2.0	-132.28	322.90	0.15	-132.13
CN1N=CC([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)=C1C(=O)[O-]	REAL300000406315	0	31	-2.0	-125.30	295.38	-0.57	-125.87
CC(C)OC1(CS(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)CCOC1	REAL300000406316	0	42	-2.0	-120.31	343.02	1.61	-118.70
CN1N=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)=C1C(=O)[O-]	REAL300000406317	0	40	-2.0	-120.79	351.04	4.17	-116.62
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=C2)=N1	REAL300000406318	0	40	-2.0	-122.45	360.03	2.61	-119.84
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)N(C)N=C1	REAL300000406319	0	34	-2.0	-120.49	315.16	1.85	-118.64
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C	REAL300000406320	0	39	-2.0	-124.92	351.70	1.80	-123.12
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406321	0	33	-2.0	-105.36	322.71	4.57	-100.79
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1Cl	REAL300000406322	0	36	-2.0	-117.83	348.87	1.61	-116.22
COC(CS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1)C1=CC=C(F)C=C1	REAL300000406323	0	38	-2.0	-117.48	349.23	3.44	-114.04
CCOC(CS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1)C1CC1	REAL300000406324	1	38	-2.0	-120.01	330.39	3.04	-116.97
CN1N=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)=C1C(=O)[O-]	REAL300000406325	0	35	-2.0	-130.72	333.45	4.51	-126.21
COC(=O)C1=CC=CC2=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=CC=C12	REAL300000406326	0	40	-2.0	-122.56	358.09	5.54	-117.02
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1F	REAL300000406327	0	34	-2.0	-123.12	331.79	3.45	-119.67
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=C(Cl)C=C21	REAL300000406328	0	39	-2.0	-132.93	358.98	4.30	-128.63
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406329	0	41	-2.0	-122.22	357.01	4.38	-117.84
COC(CS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1)C1CCCC1	REAL300000406330	1	41	-2.0	-123.17	340.53	3.50	-119.67
COC(CS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1)C1CCCCC1	REAL300000406331	1	44	-2.0	-124.21	355.53	4.11	-120.10
CN1N=CC([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=C1C(=O)[O-]	REAL300000406332	0	41	-2.0	-121.21	369.41	5.05	-116.16
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1F	REAL300000406333	0	33	-2.0	-126.26	312.17	4.81	-121.45
CCC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CN1CC1CC1	REAL300000406334	0	41	-2.0	-135.58	365.80	4.66	-130.92
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)O1	REAL300000406335	0	34	-2.0	-115.74	324.41	2.09	-113.65
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C2C1	REAL300000406336	0	39	-2.0	-127.07	350.40	3.18	-123.89
CN1N=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1C(=O)[O-]	REAL300000406337	0	31	-2.0	-117.96	306.71	2.21	-115.75
CCCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(C)C	REAL300000406338	0	47	-2.0	-121.19	398.43	5.76	-115.43
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=C1[N+](=O)[O-]	REAL300000406339	0	36	-2.0	-117.85	330.64	5.06	-112.79
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000406340	0	36	-3.0	-206.27	336.47	5.40	-200.87
CN1N=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=C1C(=O)[O-]	REAL300000406341	0	31	-2.0	-106.56	307.56	1.39	-105.17
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)=C1C(=O)[O-]	REAL300000406342	0	39	-2.0	-123.03	367.60	6.81	-116.22
CC1=CC(Br)=C(F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406343	0	31	-2.0	-110.37	309.03	4.17	-106.20
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1C(=O)[O-]	REAL300000406344	0	27	-2.0	-116.89	284.35	1.31	-115.58
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1C(=O)[O-]	REAL300000406345	0	38	-2.0	-134.95	333.07	6.11	-128.84
CN1N=CC([N-]S(=O)(=O)CCC2=C(F)C=CC=C2F)=C1C(=O)[O-]	REAL300000406346	1	34	-2.0	-122.54	322.22	4.28	-118.26
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(F)=C1F	REAL300000406347	0	31	-2.0	-125.13	299.09	3.48	-121.65
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)=C1C(=O)[O-]	REAL300000406348	0	27	-2.0	-117.07	288.94	1.39	-115.68
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(NC(=O)C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000406349	0	35	-2.0	-129.25	342.49	2.01	-127.24
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)OC=C1	REAL300000406350	0	31	-2.0	-127.49	300.35	2.11	-125.38
CCC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(C)C=C1OC	REAL300000406351	0	41	-2.0	-120.72	353.20	4.29	-116.43
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)=C1C(=O)[O-]	REAL300000406352	0	34	-2.0	-112.55	338.16	4.58	-107.97
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406353	0	36	-2.0	-130.62	337.45	3.73	-126.89
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=N1	REAL300000406354	0	30	-2.0	-133.30	295.32	1.63	-131.67
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2NC(=O)C(F)(F)F)=C1C(=O)[O-]	REAL300000406355	0	35	-2.0	-112.73	337.04	2.51	-110.22
CCCCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=N1	REAL300000406356	0	40	-2.0	-118.86	354.87	3.47	-115.39
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(OC)C=C1F	REAL300000406357	0	38	-2.0	-117.90	354.43	3.21	-114.69
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406358	1	41	-2.0	-118.27	362.06	4.18	-114.09
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C(=O)[O-]	REAL300000406359	0	29	-3.0	-187.34	292.42	1.33	-186.01
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406360	0	32	-2.0	-117.22	298.88	2.85	-114.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(C)C	REAL300000406361	0	44	-2.0	-121.74	376.93	4.96	-116.78
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=C1C(=O)[O-]	REAL300000406362	0	40	-2.0	-118.55	345.21	4.96	-113.59
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=C1C(=O)[O-]	REAL300000406363	0	29	-2.0	-110.78	294.23	3.17	-107.61
CN1N=CC([N-]S(=O)(=O)N=S(C)(=O)C2=CC=CC=C2F)=C1C(=O)[O-]	REAL300000406364	0	35	-2.0	-142.88	335.81	1.65	-141.23
CN1N=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=C1C(=O)[O-]	REAL300000406365	0	31	-2.0	-114.77	300.11	1.34	-113.43
CN1N=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1C(=O)[O-]	REAL300000406366	0	30	-2.0	-119.94	290.23	1.76	-118.18
CN1N=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1C(=O)[O-]	REAL300000406367	0	32	-2.0	-130.33	300.70	2.68	-127.65
CN1N=CC([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=C1C(=O)[O-]	REAL300000406368	0	38	-2.0	-118.72	327.96	2.84	-115.88
CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C(C)(C)C)=N1	REAL300000406369	0	40	-2.0	-117.80	335.34	3.32	-114.48
CN1N=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1C(=O)[O-]	REAL300000406371	0	38	-2.0	-119.38	334.37	3.06	-116.32
CN1N=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)=C1C(=O)[O-]	REAL300000406372	0	31	-2.0	-111.47	301.26	1.62	-109.85
CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(Br)=N1	REAL300000406373	0	28	-2.0	-118.80	292.20	0.92	-117.88
CN1N=CC([N-]S(=O)(=O)C2CC2C2=CC=CC(F)=C2)=C1C(=O)[O-]	REAL300000406374	1	35	-2.0	-125.87	315.07	4.96	-120.91
CN1N=CC([N-]S(=O)(=O)C2(COCC3=CC=CC=C3)CC2)=C1C(=O)[O-]	REAL300000406375	1	42	-2.0	-126.63	374.07	5.17	-121.46
CN1N=CC([N-]S(=O)(=O)N=S(C)(=O)C2CCCCC2)=C1C(=O)[O-]	REAL300000406376	0	41	-2.0	-146.80	354.61	2.13	-144.67
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)N3CCCC3)=C2)=C1C(=O)[O-]	REAL300000406377	0	42	-2.0	-113.20	372.87	3.91	-109.29
CN1N=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1C(=O)[O-]	REAL300000406378	0	29	-2.0	-98.27	276.30	0.96	-97.31
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1C(=O)[O-]	REAL300000406378	1	29	-2.0	-115.59	283.15	0.49	-115.10
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000406379	0	38	-2.0	-121.07	344.17	5.49	-115.58
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406380	0	31	-2.0	-135.19	299.25	0.30	-134.89
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406381	0	34	-2.0	-117.76	309.82	1.87	-115.89
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1F	REAL300000406382	0	33	-2.0	-119.86	312.75	3.20	-116.66
CCCCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(C)C	REAL300000406383	0	50	-2.0	-121.13	419.93	6.54	-114.59
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C#N)=C1	REAL300000406384	0	32	-2.0	-128.52	306.47	3.67	-124.85
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406385	0	32	-2.0	-125.62	298.45	3.94	-121.68
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1C(=O)[O-]	REAL300000406386	0	31	-2.0	-116.02	306.18	3.66	-112.36
CN1N=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCCC(=O)N3)=C1C(=O)[O-]	REAL300000406387	0	39	-2.0	-123.13	355.71	3.39	-119.74
CN(C)S(=O)(=NS(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1)C1=CC=CC=C1	REAL300000406388	1	40	-2.0	-150.93	365.38	1.80	-149.13
CCCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(C)(C)C	REAL300000406390	0	50	-2.0	-122.39	410.99	6.43	-115.96
CCCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1CC	REAL300000406391	0	44	-2.0	-120.47	381.52	5.22	-115.25
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=C1C(=O)[O-]	REAL300000406392	0	35	-2.0	-124.41	330.72	4.67	-119.74
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406393	0	34	-2.0	-115.29	313.96	4.92	-110.37
COC1=NSC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406394	0	28	-2.0	-110.17	286.22	-1.50	-111.67
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406395	0	42	-2.0	-135.07	367.33	2.38	-132.69
CN1N=CC([N-]S(=O)(=O)CC2CCCC(C)(C)O2)=C1C(=O)[O-]	REAL300000406396	1	41	-2.0	-123.14	339.00	2.91	-120.23
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406399	0	34	-3.0	-185.00	323.63	3.08	-181.92
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C(C(N)=O)O1	REAL300000406400	0	32	-2.0	-116.76	306.47	-1.68	-118.44
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406401	0	37	-2.0	-117.36	316.75	5.16	-112.20
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)OC	REAL300000406402	0	40	-2.0	-118.21	372.65	4.36	-113.85
CN1N=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1C(=O)[O-]	REAL300000406403	0	28	-2.0	-115.49	287.20	2.62	-112.87
CN1N=CC([N-]S(=O)(=O)CCC2=CC=CC(F)=C2)=C1C(=O)[O-]	REAL300000406404	1	34	-2.0	-116.58	318.01	4.30	-112.28
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000406405	0	27	-3.0	-178.25	295.53	2.25	-176.00
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406406	0	44	-2.0	-120.34	380.49	5.50	-114.84
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1C(=O)[O-]	REAL300000406407	0	33	-2.0	-131.85	303.21	3.23	-128.62
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406408	0	35	-2.0	-122.16	328.38	2.91	-119.25
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C1C(=O)[O-]	REAL300000406409	0	29	-2.0	-124.40	292.78	3.13	-121.27
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406410	0	31	-2.0	-110.90	321.53	1.99	-108.91
CN1N=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC(C)(C)C3=C2)=C1C(=O)[O-]	REAL300000406411	0	42	-2.0	-118.94	362.53	2.79	-116.15
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)=C1C(=O)[O-]	REAL300000406412	0	43	-2.0	-145.53	377.67	5.36	-140.17
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C21	REAL300000406413	0	42	-2.0	-145.21	367.79	4.64	-140.57
CN1N=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1C(=O)[O-]	REAL300000406414	0	35	-2.0	-119.13	316.87	2.39	-116.74
CN1N=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1C(=O)[O-]	REAL300000406415	0	35	-2.0	-116.37	312.20	2.70	-113.67
CN1N=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1C(=O)[O-]	REAL300000406416	0	38	-2.0	-117.50	336.17	3.34	-114.16
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=CC=CC=C12	REAL300000406417	0	40	-2.0	-122.30	357.77	5.55	-116.75
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406418	0	41	-2.0	-131.32	371.75	4.11	-127.21
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1C(=O)[O-]	REAL300000406419	0	28	-3.0	-209.85	305.93	2.32	-207.53
CN1N=CC([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)=C1C(=O)[O-]	REAL300000406420	0	33	-2.0	-126.51	318.65	1.76	-124.75
CN1N=CC([N-]S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)=C1C(=O)[O-]	REAL300000406420	1	32	-3.0	-217.54	315.41	2.70	-214.84
CN1N=CC([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=C1C(=O)[O-]	REAL300000406421	0	39	-2.0	-126.53	342.01	0.73	-125.80
CN1N=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1C(=O)[O-]	REAL300000406422	0	34	-2.0	-120.73	333.81	3.61	-117.12
CN1N=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=C1C(=O)[O-]	REAL300000406423	0	34	-2.0	-118.48	317.69	-0.06	-118.54
CN1N=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1C(=O)[O-]	REAL300000406424	0	25	-2.0	-118.52	268.72	1.40	-117.12
COC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1F	REAL300000406425	0	32	-2.0	-110.23	312.85	2.26	-107.97
CN1N=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1C(=O)[O-]	REAL300000406426	0	35	-2.0	-123.79	311.35	2.74	-121.05
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1F	REAL300000406427	0	32	-2.0	-117.98	308.17	2.14	-115.84
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C	REAL300000406428	0	44	-2.0	-122.78	370.51	4.77	-118.01
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406429	0	38	-2.0	-126.20	341.42	4.13	-122.07
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406430	0	31	-2.0	-117.34	289.87	3.42	-113.92
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=C2O1	REAL300000406431	0	36	-2.0	-133.94	324.22	3.30	-130.64
CN1N=CC([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=C1C(=O)[O-]	REAL300000406432	0	36	-2.0	-118.22	335.64	2.37	-115.85
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=C1C(=O)[O-]	REAL300000406433	0	36	-2.0	-124.48	335.19	4.92	-119.56
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406434	0	32	-2.0	-121.91	306.93	3.34	-118.57
CC1=C(Br)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(C)S1	REAL300000406435	0	31	-2.0	-118.55	311.88	4.14	-114.41
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C21	REAL300000406436	0	45	-2.0	-143.94	376.47	4.78	-139.16
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=C1C(=O)[O-]	REAL300000406437	0	34	-2.0	-127.45	320.67	3.34	-124.11
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C21	REAL300000406438	0	42	-2.0	-143.71	366.40	4.32	-139.39
CN1N=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1C(=O)[O-]	REAL300000406439	0	25	-2.0	-117.89	272.39	2.15	-115.74
CN1N=CC([N-]S(=O)(=O)C2=CC(Br)=NN2C)=C1C(=O)[O-]	REAL300000406440	0	28	-2.0	-108.58	287.91	0.89	-107.69
CN1N=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000406441	0	30	-2.0	-110.51	301.13	1.91	-108.60
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406442	0	33	-2.0	-136.89	308.70	2.30	-134.59
CCN1N=NC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406443	0	30	-2.0	-108.06	282.19	0.05	-108.01
CN1N=CC([N-]S(=O)(=O)C2=CNC3=CC(Br)=CC=C32)=C1C(=O)[O-]	REAL300000406445	0	32	-2.0	-124.46	321.98	3.29	-121.17
CN1N=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1C(=O)[O-]	REAL300000406446	0	29	-2.0	-109.31	281.85	1.49	-107.82
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1C(=O)[O-]	REAL300000406447	0	31	-2.0	-123.91	305.80	4.15	-119.76
CN1N=CC([N-]S(=O)(=O)C2=CNC3=C(Br)C=CC=C23)=C1C(=O)[O-]	REAL300000406448	0	32	-2.0	-123.06	322.02	3.28	-119.78
CN1N=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1C(=O)[O-]	REAL300000406449	0	31	-2.0	-135.57	311.87	2.41	-133.16
CN1N=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=C1C(=O)[O-]	REAL300000406450	0	35	-2.0	-115.00	318.90	2.43	-112.57
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=C1F	REAL300000406451	0	37	-2.0	-119.02	322.87	5.08	-113.94
COC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1OC	REAL300000406452	0	36	-2.0	-122.86	321.87	2.64	-120.22
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=C1C(=O)[O-]	REAL300000406453	0	37	-2.0	-124.41	335.28	-0.07	-124.48
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C#N)=C2)=C1C(=O)[O-]	REAL300000406454	0	29	-2.0	-109.89	307.50	3.60	-106.29
CN1N=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1C(=O)[O-]	REAL300000406455	0	31	-2.0	-124.60	296.74	3.00	-121.60
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1OC	REAL300000406456	0	36	-2.0	-130.80	326.40	3.05	-127.75
CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C2CCCC2)=N1	REAL300000406457	0	41	-2.0	-124.60	355.72	3.61	-120.99
CN1N=CC([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000406458	0	32	-2.0	-125.37	317.81	4.65	-120.72
CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C2CC2)=N1	REAL300000406459	0	35	-2.0	-121.91	322.23	2.65	-119.26
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1C(=O)[O-]	REAL300000406460	0	32	-2.0	-120.73	306.20	2.29	-118.44
CN1N=CC([N-]S(=O)(=O)C2=CNC3=CC=C(Br)C=C32)=C1C(=O)[O-]	REAL300000406461	0	32	-2.0	-129.43	322.07	3.29	-126.14
CN1N=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1C(=O)[O-]	REAL300000406462	0	31	-2.0	-129.42	296.40	1.92	-127.50
CN1N=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=C1C(=O)[O-]	REAL300000406463	0	33	-2.0	-141.18	311.51	1.11	-140.07
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1Br	REAL300000406464	0	34	-2.0	-117.99	321.53	4.69	-113.30
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=C21	REAL300000406465	0	35	-2.0	-121.76	307.64	4.68	-117.08
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CN=C1N	REAL300000406466	0	32	-2.0	-120.74	294.99	0.42	-120.32
COC1=NSC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406467	0	28	-2.0	-118.51	284.26	-1.42	-119.93
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)=C1C(=O)[O-]	REAL300000406469	0	34	-2.0	-112.63	335.18	3.84	-108.79
CN1N=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1C(=O)[O-]	REAL300000406470	0	31	-2.0	-118.92	300.69	3.09	-115.83
CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C2CCC2)=N1	REAL300000406471	0	38	-2.0	-123.43	338.52	3.12	-120.31
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406472	0	46	-2.0	-125.60	381.20	6.64	-118.96
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000406473	0	34	-2.0	-117.25	338.17	4.58	-112.67
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1C(=O)[O-]	REAL300000406474	0	25	-2.0	-117.19	272.77	2.24	-114.95
CN1N=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1C(=O)[O-]	REAL300000406475	0	38	-2.0	-119.70	340.96	3.36	-116.34
CN1N=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1C(=O)[O-]	REAL300000406476	0	32	-2.0	-125.66	305.09	3.83	-121.83
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)=C1C(=O)[O-]	REAL300000406477	0	39	-2.0	-127.48	365.48	5.55	-121.93
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)=C1C(=O)[O-]	REAL300000406478	0	41	-2.0	-130.12	356.76	1.11	-129.01
COC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=NC=CC=C2C=C1	REAL300000406479	0	37	-2.0	-148.27	332.40	3.93	-144.34
CCCC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406480	0	37	-2.0	-123.29	331.35	4.92	-118.37
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406481	0	34	-2.0	-111.98	322.25	1.12	-110.86
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=C1C(=O)[O-]	REAL300000406482	0	29	-2.0	-122.99	291.47	3.07	-119.92
CN1N=CC([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=C1C(=O)[O-]	REAL300000406483	0	35	-2.0	-118.90	311.64	2.29	-116.61
CN1N=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000406484	0	32	-2.0	-106.25	323.41	4.05	-102.20
COC(=O)C1=CC2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C2C=C1	REAL300000406486	0	40	-2.0	-120.87	367.65	5.62	-115.25
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406487	0	34	-2.0	-121.32	296.74	4.39	-116.93
CN1N=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=C1C(=O)[O-]	REAL300000406488	0	37	-2.0	-113.07	313.81	2.62	-110.45
CN1N=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=C1C(=O)[O-]	REAL300000406489	0	37	-2.0	-119.65	331.48	2.42	-117.23
CN1N=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1C(=O)[O-]	REAL300000406490	0	35	-2.0	-119.97	315.55	1.81	-118.16
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CN=C1C(F)(F)F	REAL300000406491	0	33	-2.0	-110.56	317.67	2.47	-108.09
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=C1C(=O)[O-]	REAL300000406492	0	39	-2.0	-118.84	341.23	3.53	-115.31
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000406493	0	30	-2.0	-103.16	306.00	3.45	-99.71
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000406494	0	31	-2.0	-110.82	312.12	3.78	-107.04
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1C(=O)[O-]	REAL300000406495	0	31	-2.0	-120.21	294.95	3.53	-116.68
CN1N=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1C(=O)[O-]	REAL300000406496	0	28	-2.0	-118.98	288.53	3.08	-115.90
CN1N=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000406497	0	28	-2.0	-111.74	298.71	2.81	-108.93
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)=C1C(=O)[O-]	REAL300000406499	0	31	-2.0	-109.81	318.88	4.13	-105.68
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1C	REAL300000406500	0	34	-2.0	-122.32	299.46	4.02	-118.30
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1C(=O)[O-]	REAL300000406501	0	31	-2.0	-119.83	294.76	3.74	-116.09
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406502	0	39	-2.0	-131.41	351.54	4.74	-126.67
CN1N=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)=C1C(=O)[O-]	REAL300000406504	0	38	-2.0	-124.30	347.21	4.39	-119.91
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)=C1C(=O)[O-]	REAL300000406505	0	34	-2.0	-115.72	329.42	3.74	-111.98
CN1N=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)=C1C(=O)[O-]	REAL300000406506	0	33	-2.0	-116.41	325.76	3.20	-113.21
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000406507	0	37	-2.0	-121.53	345.38	4.36	-117.17
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=C1C(=O)[O-]	REAL300000406508	0	29	-2.0	-120.27	299.60	3.56	-116.71
CN1N=CC([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)=C1C(=O)[O-]	REAL300000406509	0	37	-2.0	-129.09	341.12	2.68	-126.41
CN1N=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000406510	0	28	-2.0	-120.22	286.96	2.96	-117.26
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1C(=O)[O-]	REAL300000406511	0	35	-2.0	-123.46	316.20	4.82	-118.64
COC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=CS1	REAL300000406512	0	29	-2.0	-124.71	289.22	1.16	-123.55
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000406513	0	31	-2.0	-117.83	299.23	4.16	-113.67
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406514	0	34	-2.0	-115.83	331.94	3.02	-112.81
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1C(=O)[O-]	REAL300000406515	0	35	-2.0	-125.98	321.68	4.88	-121.10
CN1N=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1C(=O)[O-]	REAL300000406516	0	38	-2.0	-116.94	331.73	3.32	-113.62
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406517	0	37	-2.0	-115.67	326.94	2.60	-113.07
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000406518	0	37	-2.0	-126.71	338.18	0.22	-126.49
CN1N=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)=C1C(=O)[O-]	REAL300000406519	0	31	-2.0	-128.81	320.91	-0.80	-129.61
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C2=N1	REAL300000406520	0	33	-2.0	-132.23	310.57	1.06	-131.17
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406521	0	40	-2.0	-139.21	357.90	6.39	-132.82
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1C(=O)[O-]	REAL300000406522	0	28	-2.0	-112.95	290.82	1.94	-111.01
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406523	0	32	-2.0	-115.53	307.92	2.65	-112.88
CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C2CCOCC2)=N1	REAL300000406524	0	42	-2.0	-121.34	365.30	1.86	-119.48
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=C1C(=O)[O-]	REAL300000406525	0	34	-2.0	-121.94	320.18	4.24	-117.70
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1C(=O)[O-]	REAL300000406526	0	32	-2.0	-120.85	306.23	2.29	-118.56
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000406528	0	29	-2.0	-117.54	290.75	1.16	-116.38
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=NC=CC=C12	REAL300000406529	0	39	-2.0	-140.30	338.41	5.01	-135.29
CN1N=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1C(=O)[O-]	REAL300000406531	0	31	-2.0	-115.35	299.65	1.41	-113.94
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406532	0	38	-2.0	-123.57	343.89	3.40	-120.17
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1Cl	REAL300000406533	0	31	-2.0	-116.06	318.65	2.18	-113.88
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406534	0	38	-2.0	-117.37	346.66	3.90	-113.47
CN1N=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1C(=O)[O-]	REAL300000406535	0	41	-2.0	-118.88	353.36	3.66	-115.22
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)=C1C(=O)[O-]	REAL300000406536	0	39	-2.0	-118.62	355.64	5.56	-113.06
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1C(=O)[O-]	REAL300000406537	0	31	-2.0	-121.73	287.54	3.69	-118.04
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406538	0	40	-2.0	-125.22	354.66	5.67	-119.55
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC(C)=C1Br	REAL300000406539	0	34	-2.0	-117.37	324.67	4.45	-112.92
CN1N=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1C(=O)[O-]	REAL300000406540	0	31	-2.0	-124.72	292.46	3.10	-121.62
CN1N=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1C(=O)[O-]	REAL300000406541	0	30	-2.0	-122.99	297.92	2.10	-120.89
CCN1N=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=N1	REAL300000406542	0	30	-2.0	-119.29	287.82	-0.43	-119.72
CCN1N=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1Cl	REAL300000406543	0	31	-2.0	-114.80	308.63	1.64	-113.16
CN1N=CC([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)=C1C(=O)[O-]	REAL300000406545	0	28	-2.0	-119.01	296.78	3.62	-115.39
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=C1C(=O)[O-]	REAL300000406546	0	30	-2.0	-115.41	307.98	1.99	-113.42
CN1N=CC([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)=C1C(=O)[O-]	REAL300000406547	0	33	-2.0	-133.22	323.43	3.89	-129.33
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1C(=O)[O-]	REAL300000406548	0	25	-2.0	-114.15	266.71	1.33	-112.82
CN1N=CC([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=C1C(=O)[O-]	REAL300000406549	0	33	-2.0	-131.03	320.17	3.68	-127.35
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=CC=CC=C12	REAL300000406550	0	37	-2.0	-132.20	325.74	5.56	-126.64
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=C1C(=O)[O-]	REAL300000406551	0	35	-2.0	-120.65	324.88	3.08	-117.57
CN1N=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)C(=O)N3C)=C1C(=O)[O-]	REAL300000406552	0	42	-2.0	-117.39	371.10	4.20	-113.19
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1C(=O)[O-]	REAL300000406553	0	28	-2.0	-116.06	294.50	3.32	-112.74
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)O1	REAL300000406554	0	34	-2.0	-133.43	330.59	-0.99	-134.42
CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C2=CC=CC=C2)=N1	REAL300000406555	0	38	-2.0	-125.73	344.38	4.13	-121.60
CN1N=CC([N-]S(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)=C1C(=O)[O-]	REAL300000406556	0	34	-2.0	-122.72	338.96	0.05	-122.67
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1C(=O)[O-]	REAL300000406560	0	32	-2.0	-121.61	310.79	4.02	-117.59
CN1N=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)=C1C(=O)[O-]	REAL300000406561	0	50	-2.0	-126.98	396.62	6.89	-120.09
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000406562	0	31	-2.0	-109.04	312.44	3.52	-105.52
CN1N=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=C1C(=O)[O-]	REAL300000406564	0	24	-2.0	-109.11	270.90	1.14	-107.97
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000406565	0	38	-2.0	-120.62	353.63	4.60	-116.02
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=NN1	REAL300000406566	0	34	-2.0	-118.55	327.33	0.51	-118.04
COC1=CSC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1OC	REAL300000406567	0	33	-2.0	-119.74	319.92	0.73	-119.01
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1C(=O)[O-]	REAL300000406568	0	28	-3.0	-180.10	303.54	1.74	-178.36
CN1N=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1C(=O)[O-]	REAL300000406568	1	29	-2.0	-85.06	300.14	1.41	-83.65
CN1N=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1C(=O)[O-]	REAL300000406569	0	27	-2.0	-105.45	284.60	1.35	-104.10
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)=C1C(=O)[O-]	REAL300000406570	0	32	-2.0	-116.74	311.20	3.61	-113.13
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=C1C(=O)[O-]	REAL300000406571	0	32	-2.0	-119.46	312.46	2.35	-117.11
CN1N=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=C1C(=O)[O-]	REAL300000406572	0	34	-2.0	-119.55	310.37	2.71	-116.84
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C(F)C(F)=C1F	REAL300000406573	0	34	-2.0	-110.44	337.92	3.53	-106.91
CN1C=CC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)=CC=C21	REAL300000406574	0	35	-2.0	-129.20	320.68	4.47	-124.73
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000406575	0	31	-2.0	-122.79	297.65	4.10	-118.69
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)=C1C(=O)[O-]	REAL300000406576	0	37	-2.0	-115.24	345.84	3.19	-112.05
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1C(=O)[O-]	REAL300000406577	0	25	-2.0	-108.91	292.03	2.81	-106.10
CN1N=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1Cl	REAL300000406578	0	28	-2.0	-114.52	286.82	0.77	-113.75
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406579	0	41	-2.0	-123.46	359.12	5.10	-118.36
CC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300000406580	0	45	-2.0	-118.59	385.39	4.62	-113.97
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)=C1C(=O)[O-]	REAL300000406581	0	31	-2.0	-116.33	323.22	4.14	-112.19
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=C1C(=O)[O-]	REAL300000406582	0	33	-2.0	-118.38	319.63	3.38	-115.00
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)=C1C(=O)[O-]	REAL300000406583	0	39	-2.0	-123.94	357.40	5.62	-118.32
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=C1C(=O)[O-]	REAL300000406584	0	34	-2.0	-132.83	304.79	4.54	-128.29
CN1N=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1C(=O)[O-]	REAL300000406585	0	33	-2.0	-116.89	321.82	1.29	-115.60
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=C1C(=O)[O-]	REAL300000406586	0	29	-2.0	-122.28	308.47	1.51	-120.77
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000406587	0	37	-2.0	-123.84	347.93	1.79	-122.05
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)S1	REAL300000406587	1	36	-3.0	-190.52	344.63	0.66	-189.86
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406588	0	30	-2.0	-109.89	294.71	2.10	-107.79
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406589	0	39	-2.0	-124.97	350.31	4.32	-120.65
CCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C2CC2)=N1	REAL300000406590	0	38	-2.0	-122.29	343.76	3.51	-118.78
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=NSN=C2C=C1	REAL300000406591	0	32	-2.0	-126.32	305.20	2.07	-124.25
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=C1C(=O)[O-]	REAL300000406592	0	34	-2.0	-119.54	329.61	5.49	-114.05
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(=O)NC(=O)N1	REAL300000406593	0	31	-2.0	-124.79	290.03	-1.55	-126.34
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)=C1C(=O)[O-]	REAL300000406595	0	38	-2.0	-121.40	357.91	6.64	-114.76
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C(Cl)S1	REAL300000406596	0	31	-2.0	-124.67	323.28	3.64	-121.03
CCC1=CC(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=CC=C1Br	REAL300000406597	0	34	-2.0	-116.34	326.02	4.58	-111.76
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406598	0	41	-2.0	-118.37	353.74	3.91	-114.46
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1C(=O)[O-]	REAL300000406599	0	25	-2.0	-116.38	265.74	1.22	-115.16
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1C(=O)[O-]	REAL300000406600	0	25	-2.0	-114.08	275.77	2.22	-111.86
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406601	0	42	-2.0	-129.25	371.79	3.01	-126.24
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1C(=O)[O-]	REAL300000406602	0	34	-2.0	-125.45	325.82	5.56	-119.89
CN1N=CC([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=C1C(=O)[O-]	REAL300000406603	0	36	-2.0	-116.85	319.24	0.47	-116.38
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1C(=O)[O-]	REAL300000406604	0	35	-2.0	-124.82	310.52	4.88	-119.94
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C)=N1	REAL300000406609	0	34	-2.0	-114.25	309.40	0.17	-114.08
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406610	0	34	-2.0	-125.94	314.38	0.53	-125.41
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)=C1C(=O)[O-]	REAL300000406611	0	43	-2.0	-119.36	368.84	3.09	-116.27
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406612	0	31	-2.0	-118.69	309.68	0.39	-118.30
COC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C	REAL300000406613	0	34	-2.0	-115.47	314.30	0.13	-115.34
CC(C)CN1C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=N1	REAL300000406614	0	37	-2.0	-117.82	329.93	2.85	-114.97
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406615	0	37	-2.0	-120.16	332.38	2.39	-117.77
CN1N=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1C(=O)[O-]	REAL300000406616	0	27	-2.0	-121.67	294.62	0.67	-121.00
CN1N=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C1C(=O)[O-]	REAL300000406617	0	26	-2.0	-117.66	279.02	2.05	-115.61
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406619	0	34	-2.0	-115.02	308.69	1.98	-113.04
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C	REAL300000406620	0	36	-2.0	-112.67	333.77	2.08	-110.59
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C(=O)[O-]	REAL300000406621	0	37	-3.0	-185.45	341.55	5.15	-180.30
CN1N=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000406622	0	31	-2.0	-126.76	308.84	4.53	-122.23
CN1N=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1C(=O)[O-]	REAL300000406623	0	35	-2.0	-115.36	319.75	2.77	-112.59
CN1N=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000406624	0	35	-2.0	-122.10	320.69	3.86	-118.24
COC1=NOC(CS(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406625	0	31	-2.0	-112.75	298.02	-0.99	-113.74
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=NN1C(C)C	REAL300000406626	0	37	-2.0	-118.78	331.46	2.47	-116.31
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1C(=O)[O-]	REAL300000406627	0	35	-2.0	-122.74	326.82	4.90	-117.84
CN1N=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1C(=O)[O-]	REAL300000406628	0	30	-2.0	-120.70	296.22	1.83	-118.87
CN1N=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=C1C(=O)[O-]	REAL300000406629	0	28	-2.0	-119.58	305.61	-1.10	-120.68
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1	REAL300000406631	0	42	-2.0	-118.97	375.78	6.27	-112.70
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1C(=O)[O-]	REAL300000406632	0	35	-2.0	-121.35	328.46	4.94	-116.41
CN1N=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1C(=O)[O-]	REAL300000406633	0	32	-2.0	-124.25	317.42	3.18	-121.07
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C(=O)[O-]	REAL300000406634	0	37	-3.0	-182.86	340.51	5.16	-177.70
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406635	0	37	-2.0	-124.27	332.79	4.75	-119.52
CN1N=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1C(=O)[O-]	REAL300000406636	0	31	-2.0	-124.84	304.64	3.64	-121.20
CN1N=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1C(=O)[O-]	REAL300000406637	0	32	-2.0	-134.49	315.02	1.98	-132.51
CN1N=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1C(=O)[O-]	REAL300000406638	0	35	-2.0	-130.71	322.80	5.01	-125.70
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(Cl)=C1Cl	REAL300000406639	0	31	-2.0	-120.26	314.01	4.32	-115.94
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)=C1C(=O)[O-]	REAL300000406640	0	32	-2.0	-115.91	318.44	2.56	-113.35
CN1N=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000406641	0	35	-2.0	-121.57	334.91	3.77	-117.80
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C(C(F)F)=C1	REAL300000406642	0	35	-2.0	-126.39	317.41	3.30	-123.09
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C1C(=O)OC	REAL300000406643	0	41	-2.0	-119.27	370.91	4.33	-114.94
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])N(C)N=C3)C=C2C1	REAL300000406644	0	41	-2.0	-126.60	366.27	5.24	-121.36
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406645	0	33	-2.0	-128.28	307.76	2.31	-125.97
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406646	0	34	-2.0	-117.26	331.81	0.84	-116.42
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406647	0	34	-2.0	-120.47	334.75	4.68	-115.79
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])N(C)N=C1	REAL300000406648	0	34	-2.0	-138.46	316.30	4.28	-134.18
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C2=NC=CC=C12	REAL300000406649	0	36	-2.0	-140.03	324.70	3.87	-136.16
CCC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C(C(=O)[O-])O1	REAL300000406650	0	33	-3.0	-182.35	317.55	3.26	-179.09
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406651	0	41	-2.0	-132.19	356.41	4.72	-127.47
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)C=C(Cl)S1	REAL300000406652	0	28	-2.0	-112.23	293.52	3.11	-109.12
CN1N=CC([N-]S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)=C1C(=O)[O-]	REAL300000406653	0	35	-2.0	-123.38	339.67	3.67	-119.71
CN1N=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1C(=O)[O-]	REAL300000406654	0	35	-2.0	-120.43	312.69	2.04	-118.39
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C(=O)[O-])N(C)N=C2)=C1	REAL300000406655	0	31	-2.0	-127.01	293.87	3.44	-123.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CC3NC(=O)NC3=O)C=C2)=CC=C1	REAL300000406657	1	40	-2.0	-110.29	366.07	1.93	-108.36
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(CC3NC(=O)NC3=O)C=C2)=C1	REAL300000406658	0	37	-2.0	-104.68	359.24	0.96	-103.72
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CC3NC(=O)NC3=O)C=C2)C=C1C(=O)[O-]	REAL300000406659	1	41	-2.0	-108.67	372.71	1.28	-107.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(CC3NC(=O)NC3=O)C=C2)=CS1	REAL300000406660	0	37	-2.0	-106.00	357.71	0.98	-105.02
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC3NC(=O)NC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000406661	0	40	-2.0	-104.65	369.09	1.07	-103.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC3NC(=O)NC3=O)C=C2)S1	REAL300000406662	0	37	-2.0	-99.63	358.31	1.06	-98.57
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(CC3NC(=O)NC3=O)C=C2)=C1	REAL300000406663	0	39	-2.0	-107.97	362.26	0.05	-107.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=CC=C1F	REAL300000406664	0	29	-2.0	-99.63	313.70	3.28	-96.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1	REAL300000406665	0	29	-2.0	-89.03	309.15	3.25	-85.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C1	REAL300000406666	0	29	-2.0	-101.75	309.17	3.24	-98.51
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(Cl)=C1O	REAL300000406667	0	33	-2.0	-106.74	337.31	3.05	-103.69
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1	REAL300000406668	0	33	-2.0	-88.94	340.62	4.55	-84.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000406669	0	32	-2.0	-100.91	325.19	3.78	-97.13
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C1	REAL300000406670	0	29	-2.0	-97.30	322.24	3.84	-93.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=CC=C1Cl	REAL300000406671	0	29	-2.0	-97.77	321.67	3.65	-94.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C1C	REAL300000406672	0	35	-2.0	-104.65	342.27	4.58	-100.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C1	REAL300000406673	0	29	-2.0	-98.64	314.64	3.32	-95.32
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1	REAL300000406674	0	35	-2.0	-87.97	352.74	4.83	-83.14
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C1	REAL300000406675	0	26	-2.0	-96.09	302.35	2.27	-93.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(Cl)=C1O	REAL300000406676	0	32	-2.0	-102.80	324.60	4.03	-98.77
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1	REAL300000406677	0	33	-2.0	-87.46	340.24	3.53	-83.93
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000406678	0	30	-2.0	-99.98	315.81	2.60	-97.38
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(Cl)=C1O	REAL300000406679	0	33	-2.0	-103.21	333.37	2.07	-101.14
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C1	REAL300000406680	0	29	-2.0	-91.34	318.27	2.94	-88.40
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000406681	0	35	-2.0	-103.96	340.61	4.57	-99.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=CS1	REAL300000406682	0	26	-2.0	-97.53	300.81	2.29	-95.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000406683	0	33	-2.0	-107.54	336.46	3.32	-104.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(Cl)=C1O	REAL300000406684	0	35	-2.0	-101.35	339.29	4.98	-96.37
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C(C(=O)[O-])O1	REAL300000406685	0	29	-2.0	-96.04	312.17	2.39	-93.65
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C1	REAL300000406686	0	33	-2.0	-101.20	338.15	2.34	-98.86
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(Cl)=C1O	REAL300000406687	0	32	-2.0	-93.56	329.89	4.07	-89.49
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C(C(=O)[O-])S1	REAL300000406688	0	29	-2.0	-99.40	317.79	3.14	-96.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C(Cl)=C1	REAL300000406689	0	29	-2.0	-86.59	322.22	3.82	-82.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1F	REAL300000406690	0	29	-2.0	-88.58	313.69	3.29	-85.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)S1	REAL300000406691	0	26	-2.0	-90.25	301.42	2.38	-87.87
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C1	REAL300000406692	0	29	-2.0	-91.43	315.58	3.32	-88.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C1F	REAL300000406693	0	32	-2.0	-99.84	334.91	3.95	-95.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C(F)=C1	REAL300000406694	0	29	-2.0	-87.99	314.63	3.32	-84.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1Cl	REAL300000406695	0	29	-2.0	-86.60	321.66	3.66	-82.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=CC(F)=C1F	REAL300000406696	0	29	-2.0	-91.17	319.99	3.35	-87.82
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C1	REAL300000406697	0	30	-2.0	-101.60	318.88	0.96	-100.64
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1	REAL300000406698	0	32	-2.0	-92.25	331.34	4.03	-88.22
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(Cl)=C1O	REAL300000406699	0	32	-2.0	-96.29	319.20	3.89	-92.40
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=CC(C(=O)[O-])=C1F	REAL300000406700	0	32	-2.0	-98.99	334.01	3.89	-95.10
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(Cl)=C1O	REAL300000406701	0	32	-2.0	-89.58	324.58	4.03	-85.55
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=CC(C(=O)[O-])=C1C	REAL300000406702	0	35	-2.0	-102.79	342.04	4.31	-98.48
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C1	REAL300000406703	0	29	-2.0	-90.26	320.90	3.38	-86.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C(C)=C1C(=O)[O-]	REAL300000406704	0	35	-2.0	-100.82	342.69	4.67	-96.15
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000406705	0	32	-2.0	-99.49	330.64	3.85	-95.64
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C1	REAL300000406706	0	32	-2.0	-104.32	334.20	3.95	-100.37
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000406707	0	35	-2.0	-101.55	343.45	4.44	-97.11
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000406708	0	33	-2.0	-101.20	337.19	3.47	-97.73
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=CC=C1C(=O)[O-]	REAL300000406709	0	32	-2.0	-90.69	329.23	3.89	-86.80
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(Cl)=C1O	REAL300000406710	0	32	-2.0	-100.54	329.12	4.07	-96.47
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C1F	REAL300000406711	0	29	-2.0	-103.74	312.80	3.28	-100.46
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000406712	0	32	-2.0	-94.35	334.12	3.92	-90.43
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C1	REAL300000406713	0	28	-2.0	-98.04	305.38	1.37	-96.67
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(Cl)=C1O	REAL300000406714	0	33	-2.0	-92.99	337.36	3.05	-89.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)=C(Cl)O1	REAL300000406715	0	26	-2.0	-89.68	309.27	2.22	-87.46
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2O)C=C(C(=O)[O-])O1	REAL300000406716	0	32	-2.0	-96.05	331.28	3.24	-92.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=CC=C1F	REAL300000406717	0	34	-2.0	-101.26	325.83	6.36	-94.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C1	REAL300000406718	0	34	-2.0	-91.34	321.29	6.34	-85.00
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=C1	REAL300000406719	0	34	-2.0	-103.55	321.30	6.33	-97.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2=CC=CC=C2)ON=C1	REAL300000406720	0	38	-2.0	-108.90	349.44	6.15	-102.75
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C1	REAL300000406721	0	38	-2.0	-91.11	352.75	7.63	-83.48
CC1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C1C(=O)[O-]	REAL300000406722	0	37	-2.0	-104.64	337.32	6.87	-97.77
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=C1	REAL300000406723	0	34	-2.0	-99.41	334.37	6.91	-92.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=CC=C1Cl	REAL300000406724	0	34	-2.0	-99.51	333.80	6.73	-92.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=C1C	REAL300000406725	0	40	-2.0	-106.25	353.69	7.63	-98.62
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=C1	REAL300000406726	0	34	-2.0	-101.06	326.77	6.40	-94.66
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C1	REAL300000406727	0	40	-2.0	-90.41	364.86	7.92	-82.49
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=C1	REAL300000406728	0	31	-2.0	-97.96	314.48	5.36	-92.60
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2=CC=CC=C2)ON=C1	REAL300000406729	0	37	-2.0	-104.45	336.73	7.11	-97.34
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C1	REAL300000406730	0	38	-2.0	-89.76	352.37	6.62	-83.14
CN1C=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C1C(=O)[O-]	REAL300000406731	0	35	-2.0	-101.90	327.94	5.69	-96.21
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2=CC=CC=C2)ON=C1	REAL300000406732	0	38	-2.0	-104.83	345.50	5.15	-99.68
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=C1	REAL300000406733	0	34	-2.0	-94.06	330.43	6.03	-88.03
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C1C(=O)[O-]	REAL300000406734	0	40	-2.0	-105.57	352.74	7.64	-97.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=CS1	REAL300000406735	0	31	-2.0	-99.39	312.95	5.38	-94.01
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C1C(=O)[O-]	REAL300000406736	0	38	-2.0	-109.39	348.58	6.40	-102.99
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=C1	REAL300000406737	0	44	-2.0	-107.97	376.54	8.96	-99.01
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2=CC=CC=C2)ON=C1	REAL300000406738	0	43	-2.0	-106.33	374.39	8.31	-98.02
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CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2=CC=CC=C2)ON=C1	REAL300000406758	0	37	-2.0	-97.08	350.33	7.56	-89.52
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CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C2=CC=CC=C2)ON=C1	REAL300000406764	0	37	-2.0	-99.49	331.33	6.96	-92.53
CC1=CC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=CC(C(=O)[O-])=C1F	REAL300000406765	0	37	-2.0	-102.52	346.14	6.98	-95.54
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2=CC=CC=C2)ON=C1	REAL300000406766	0	37	-2.0	-91.44	336.71	7.09	-84.35
CC1=CC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=CC(C(=O)[O-])=C1C	REAL300000406767	0	40	-2.0	-106.47	354.18	7.40	-99.07
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CC1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C(C)=C1C(=O)[O-]	REAL300000406770	0	40	-2.0	-103.49	355.77	7.72	-95.77
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C1C(=O)[O-]	REAL300000406771	0	37	-2.0	-102.09	342.78	6.93	-95.16
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CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=C1	REAL300000406773	0	37	-2.0	-108.15	346.31	7.02	-101.13
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C1C(=O)[O-]	REAL300000406774	0	40	-2.0	-105.26	355.24	7.52	-97.74
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C1CC(=O)[O-]	REAL300000406775	0	41	-2.0	-105.46	371.76	6.46	-99.00
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C2=CC=CC=C2)ON=C1	REAL300000406776	0	37	-2.0	-92.90	347.56	7.52	-85.38
CC1=CC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=CC(C(=O)[O-])=C1Cl	REAL300000406777	0	37	-2.0	-101.12	352.53	7.29	-93.83
CCN1C=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C1C(=O)[O-]	REAL300000406778	0	38	-2.0	-103.11	349.32	6.55	-96.56
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C1C(=O)[O-]	REAL300000406779	0	37	-2.0	-98.07	355.07	7.40	-90.67
CC1=CC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)=CC=C1C(=O)[O-]	REAL300000406780	0	37	-2.0	-91.38	337.30	6.88	-84.50
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2=CC=CC=C2)ON=C1	REAL300000406781	0	37	-2.0	-101.92	341.25	7.14	-94.78
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CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C1C(=O)[O-]	REAL300000406784	0	37	-2.0	-96.33	346.26	7.01	-89.32
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COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2=CC=CC=C2)ON=C1	REAL300000406787	0	38	-2.0	-95.23	349.50	6.15	-89.08
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CCC1=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2)C=C(C(=O)[O-])O1	REAL300000406791	0	37	-2.0	-97.04	339.72	6.18	-90.86
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COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1	REAL300000406795	0	38	-2.0	-119.81	353.41	5.54	-114.27
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CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000406797	0	37	-2.0	-114.79	341.28	6.25	-108.54
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CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=C1C	REAL300000406800	0	40	-2.0	-117.08	358.37	7.05	-110.03
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CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1	REAL300000406804	0	37	-2.0	-115.32	340.70	6.50	-108.82
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CN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000406806	0	35	-2.0	-111.93	331.91	5.07	-106.86
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1	REAL300000406807	0	38	-2.0	-115.64	349.47	4.54	-111.10
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=C1	REAL300000406808	0	34	-2.0	-103.66	334.38	5.42	-98.24
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000406809	0	40	-2.0	-116.59	356.72	7.04	-109.55
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COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000406811	0	38	-2.0	-119.51	352.54	5.79	-113.72
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CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1	REAL300000406813	0	43	-2.0	-117.58	379.16	7.73	-109.85
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1	REAL300000406814	0	40	-2.0	-114.04	355.40	7.44	-106.60
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1	REAL300000406815	0	41	-2.0	-120.10	375.69	6.30	-113.80
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CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000406818	0	34	-2.0	-107.61	328.27	4.86	-102.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=C1	REAL300000406819	0	38	-2.0	-114.79	354.25	4.83	-109.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=C(Cl)C=C1F	REAL300000406820	0	34	-2.0	-106.36	342.86	6.30	-100.06
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=CC=C1OCC(=O)[O-]	REAL300000406821	0	41	-2.0	-100.00	376.42	6.71	-93.29
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1	REAL300000406822	0	37	-2.0	-105.53	345.97	6.54	-98.99
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CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000406824	0	41	-2.0	-120.05	374.40	6.69	-113.36
CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000406825	0	34	-2.0	-111.49	333.89	5.62	-105.87
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CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=C1F	REAL300000406830	0	37	-2.0	-112.62	351.01	6.41	-106.21
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CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1	REAL300000406833	0	37	-2.0	-107.25	354.71	6.92	-100.33
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CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1	REAL300000406839	0	37	-2.0	-109.57	335.33	6.36	-103.21
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000406840	0	37	-2.0	-112.31	350.10	6.37	-105.94
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1	REAL300000406841	0	37	-2.0	-101.37	340.68	6.49	-94.88
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000406842	0	40	-2.0	-118.03	362.09	6.89	-111.14
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O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=C1	REAL300000406844	0	34	-2.0	-102.57	337.02	5.85	-96.72
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000406845	0	40	-2.0	-113.73	359.74	7.11	-106.62
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000406846	0	37	-2.0	-112.36	346.74	6.32	-106.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=C1Cl	REAL300000406847	0	37	-2.0	-111.54	357.04	6.86	-104.68
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=C1	REAL300000406848	0	37	-2.0	-117.96	350.30	6.41	-111.55
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000406849	0	40	-2.0	-115.49	359.50	6.91	-108.58
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C=C1CC(=O)[O-]	REAL300000406850	0	41	-2.0	-115.71	375.73	5.85	-109.86
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1	REAL300000406851	0	37	-2.0	-102.61	352.05	6.87	-95.74
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000406852	0	37	-2.0	-111.10	356.49	6.68	-104.42
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000406853	0	38	-2.0	-113.20	353.21	5.94	-107.26
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000406854	0	37	-2.0	-106.82	355.13	6.69	-100.13
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000406855	0	37	-2.0	-101.02	341.27	6.26	-94.76
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1	REAL300000406856	0	37	-2.0	-112.81	344.80	6.57	-106.24
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=C1[N+](=O)[O-]	REAL300000406857	0	36	-2.0	-120.55	348.99	7.59	-112.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=C1F	REAL300000406858	0	34	-2.0	-117.31	328.93	5.75	-111.56
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000406859	0	37	-2.0	-105.12	346.44	6.29	-98.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=CC2=CC=CC=C21	REAL300000406860	0	40	-2.0	-121.77	366.31	7.86	-113.91
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=C1	REAL300000406861	0	33	-2.0	-111.15	321.48	3.85	-107.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1	REAL300000406862	0	38	-2.0	-105.31	353.47	5.54	-99.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)=C(Cl)O1	REAL300000406863	0	31	-2.0	-101.19	325.37	4.70	-96.49
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN(C4=CC=CC=C4)N=C3)C=C2)CC1	REAL300000406864	0	41	-2.0	-107.87	371.39	7.61	-100.26
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN(C4=CC=CC=C4)N=C3)C=C2C1	REAL300000406865	0	41	-2.0	-110.80	370.70	7.61	-103.19
CCC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000406866	0	37	-2.0	-107.56	347.39	5.71	-101.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=CC=C1F	REAL300000406867	0	34	-2.0	-122.57	335.47	6.57	-116.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1	REAL300000406868	0	34	-2.0	-111.88	330.91	6.55	-105.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C1	REAL300000406869	0	34	-2.0	-125.28	330.94	6.54	-118.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=NC=CC=C2F)C=C1	REAL300000406870	0	38	-2.0	-131.59	359.08	6.36	-125.23
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1	REAL300000406871	0	38	-2.0	-111.51	362.39	7.84	-103.67
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1C(=O)[O-]	REAL300000406872	0	37	-2.0	-126.90	346.94	7.08	-119.82
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C1	REAL300000406873	0	34	-2.0	-121.13	344.01	7.11	-114.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=CC=C1Cl	REAL300000406874	0	34	-2.0	-121.08	343.44	6.94	-114.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C1C	REAL300000406875	0	40	-2.0	-128.40	364.05	7.87	-120.53
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C1	REAL300000406876	0	34	-2.0	-123.04	336.41	6.61	-116.43
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1	REAL300000406877	0	40	-2.0	-110.99	374.51	8.14	-102.85
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C1	REAL300000406878	0	31	-2.0	-119.01	324.11	5.56	-113.45
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=NC=CC=C2F)C=C1	REAL300000406879	0	37	-2.0	-126.59	346.37	7.33	-119.26
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1	REAL300000406880	0	38	-2.0	-110.15	362.01	6.83	-103.32
CN1C=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1C(=O)[O-]	REAL300000406881	0	35	-2.0	-123.36	337.57	5.88	-117.48
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=NC=CC=C2F)C=C1	REAL300000406882	0	38	-2.0	-126.78	355.15	5.35	-121.43
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C1	REAL300000406883	0	34	-2.0	-115.03	340.02	6.22	-108.81
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1C(=O)[O-]	REAL300000406884	0	40	-2.0	-127.96	362.37	7.85	-120.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=CS1	REAL300000406885	0	31	-2.0	-120.84	322.58	5.57	-115.27
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1C(=O)[O-]	REAL300000406886	0	38	-2.0	-131.00	358.21	6.61	-124.39
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=NC=CC=C2F)C=C1	REAL300000406887	0	40	-2.0	-125.06	361.09	8.27	-116.79
CC1=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C(C(=O)[O-])O1	REAL300000406888	0	34	-2.0	-118.54	333.94	5.69	-112.85
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C1	REAL300000406889	0	38	-2.0	-126.56	359.92	5.64	-120.92
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=NC=CC=C2F)C=C1	REAL300000406890	0	37	-2.0	-116.49	351.62	7.35	-109.14
CC1=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C(C(=O)[O-])S1	REAL300000406891	0	34	-2.0	-122.53	339.54	6.43	-116.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C(Cl)=C1	REAL300000406892	0	34	-2.0	-109.38	343.99	7.09	-102.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1F	REAL300000406893	0	34	-2.0	-110.99	335.45	6.59	-104.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)S1	REAL300000406894	0	31	-2.0	-113.73	323.19	5.67	-108.06
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C1	REAL300000406895	0	34	-2.0	-115.88	337.33	6.61	-109.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C1F	REAL300000406896	0	37	-2.0	-124.50	356.70	7.25	-117.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C(F)=C1	REAL300000406897	0	34	-2.0	-111.45	336.40	6.61	-104.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1Cl	REAL300000406898	0	34	-2.0	-109.27	343.42	6.95	-102.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=CC(F)=C1F	REAL300000406899	0	34	-2.0	-113.24	341.75	6.64	-106.60
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C1	REAL300000406900	0	35	-2.0	-125.74	340.63	4.26	-121.48
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1	REAL300000406901	0	37	-2.0	-116.11	353.11	7.33	-108.78
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C2=NC=CC=C2F)C=C1	REAL300000406902	0	37	-2.0	-121.23	341.01	7.17	-114.06
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=CC(C(=O)[O-])=C1F	REAL300000406903	0	37	-2.0	-123.61	355.76	7.20	-116.41
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=NC=CC=C2F)C=C1	REAL300000406904	0	37	-2.0	-112.03	346.35	7.32	-104.71
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=CC(C(=O)[O-])=C1C	REAL300000406905	0	40	-2.0	-130.17	367.73	7.71	-122.46
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C1	REAL300000406906	0	34	-2.0	-114.13	342.67	6.67	-107.46
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C(C)=C1C(=O)[O-]	REAL300000406907	0	40	-2.0	-125.31	365.42	7.92	-117.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1C(=O)[O-]	REAL300000406908	0	37	-2.0	-124.29	352.41	7.13	-117.16
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C1	REAL300000406909	0	37	-2.0	-130.21	355.97	7.24	-122.97
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1C(=O)[O-]	REAL300000406910	0	40	-2.0	-127.64	365.17	7.73	-119.91
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1C(=O)[O-]	REAL300000406911	0	38	-2.0	-124.68	358.97	6.76	-117.92
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=CC=C1C(=O)[O-]	REAL300000406912	0	37	-2.0	-112.04	346.95	7.09	-104.95
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=NC=CC=C2F)C=C1	REAL300000406913	0	37	-2.0	-123.74	350.46	7.37	-116.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C1F	REAL300000406914	0	34	-2.0	-129.36	334.58	6.57	-122.79
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C1C(=O)[O-]	REAL300000406915	0	37	-2.0	-116.53	352.09	7.12	-109.41
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C1	REAL300000406916	0	33	-2.0	-122.96	327.16	4.67	-118.29
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=NC=CC=C2F)C=C1	REAL300000406917	0	38	-2.0	-116.58	359.12	6.34	-110.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)=C(Cl)O1	REAL300000406918	0	31	-2.0	-112.15	331.06	5.51	-106.64
CCC1=C(S(=O)(=O)[N-]C2=NN(C3=NC=CC=C3F)C=C2)C=C(C(=O)[O-])O1	REAL300000406919	0	37	-2.0	-118.54	353.06	6.54	-112.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=CC=C1F	REAL300000406920	0	34	-2.0	-110.84	332.05	3.07	-107.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1	REAL300000406921	0	34	-2.0	-100.96	327.49	3.04	-97.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1	REAL300000406922	0	34	-2.0	-113.34	327.52	3.04	-110.30
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OCC(F)F	REAL300000406923	0	38	-2.0	-117.52	355.66	2.84	-114.68
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1	REAL300000406924	0	38	-2.0	-99.89	358.96	4.33	-95.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000406925	0	37	-2.0	-114.60	343.53	3.57	-111.03
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1	REAL300000406926	0	34	-2.0	-107.77	340.59	3.61	-104.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=CC=C1Cl	REAL300000406927	0	34	-2.0	-109.26	340.02	3.43	-105.83
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1C	REAL300000406928	0	40	-2.0	-114.70	359.91	4.35	-110.35
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1	REAL300000406929	0	34	-2.0	-109.75	332.99	3.10	-106.65
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1	REAL300000406930	0	40	-2.0	-99.00	371.08	4.63	-94.37
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1	REAL300000406931	0	31	-2.0	-107.69	320.71	2.07	-105.62
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OCC(F)F	REAL300000406932	0	37	-2.0	-112.78	342.95	3.82	-108.96
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1	REAL300000406933	0	38	-2.0	-98.60	358.58	3.32	-95.28
CN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000406934	0	35	-2.0	-111.78	334.17	2.39	-109.39
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OCC(F)F	REAL300000406935	0	38	-2.0	-112.94	351.72	1.86	-111.08
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1	REAL300000406936	0	34	-2.0	-103.93	336.63	2.72	-101.21
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000406937	0	40	-2.0	-115.39	362.97	4.46	-110.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=CS1	REAL300000406938	0	31	-2.0	-109.05	319.17	2.08	-106.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000406939	0	38	-2.0	-119.27	354.79	3.10	-116.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OCC(F)F	REAL300000406940	0	40	-2.0	-110.46	357.64	4.77	-105.69
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1	REAL300000406941	0	41	-2.0	-117.15	371.76	4.93	-112.22
CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C(C(=O)[O-])O1	REAL300000406942	0	34	-2.0	-106.47	330.52	2.18	-104.29
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1	REAL300000406943	0	38	-2.0	-115.80	356.44	2.14	-113.66
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OCC(F)F	REAL300000406944	0	37	-2.0	-104.06	347.80	3.88	-100.18
CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C(C(=O)[O-])S1	REAL300000406945	0	34	-2.0	-109.45	336.14	2.93	-106.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C(Cl)=C1	REAL300000406946	0	34	-2.0	-98.39	340.57	3.60	-94.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1F	REAL300000406947	0	34	-2.0	-100.43	332.03	3.08	-97.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)S1	REAL300000406948	0	31	-2.0	-102.69	319.77	2.17	-100.52
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1	REAL300000406949	0	34	-2.0	-104.28	333.92	3.10	-101.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1F	REAL300000406950	0	37	-2.0	-111.25	353.27	3.74	-107.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C(F)=C1	REAL300000406951	0	34	-2.0	-100.56	332.98	3.11	-97.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1Cl	REAL300000406952	0	34	-2.0	-98.50	340.00	3.44	-95.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=CC(F)=C1F	REAL300000406953	0	34	-2.0	-102.40	338.34	3.13	-99.27
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1	REAL300000406954	0	34	-3.0	-211.16	333.66	1.64	-209.52
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1	REAL300000406955	0	37	-2.0	-103.63	349.68	3.82	-99.81
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1OCC(F)F	REAL300000406956	0	37	-2.0	-110.51	337.55	3.67	-106.84
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=CC(C(=O)[O-])=C1F	REAL300000406957	0	37	-2.0	-112.19	352.35	3.69	-108.50
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1OCC(F)F	REAL300000406958	0	37	-2.0	-100.78	342.93	3.81	-96.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=CC(C(=O)[O-])=C1C	REAL300000406959	0	40	-2.0	-116.57	360.42	4.11	-112.46
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1	REAL300000406960	0	34	-2.0	-101.81	339.25	3.16	-98.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C(C)=C1C(=O)[O-]	REAL300000406961	0	40	-2.0	-114.82	361.99	4.43	-110.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000406962	0	37	-2.0	-112.09	352.83	3.73	-108.36
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1	REAL300000406963	0	37	-2.0	-119.58	352.53	3.73	-115.85
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000406964	0	40	-2.0	-115.24	361.84	4.23	-111.01
CCN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000406965	0	38	-2.0	-113.08	355.55	3.26	-109.82
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=CC=C1C(=O)[O-]	REAL300000406966	0	37	-2.0	-101.07	343.52	3.59	-97.48
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OCC(F)F	REAL300000406967	0	37	-2.0	-110.43	347.05	3.88	-106.55
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1F	REAL300000406968	0	34	-2.0	-118.74	331.15	3.06	-115.68
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000406969	0	37	-2.0	-105.16	348.68	3.61	-101.55
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C1	REAL300000406970	0	33	-2.0	-111.24	323.73	1.16	-110.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1OCC(F)F	REAL300000406971	0	38	-2.0	-104.85	355.72	2.84	-102.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)=C(Cl)O1	REAL300000406972	0	31	-2.0	-100.83	327.62	2.01	-98.82
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CN=C3OCC(F)F)C=C2)CC1	REAL300000406973	0	41	-2.0	-106.65	373.64	4.93	-101.72
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CN=C3OCC(F)F)C=C2C1	REAL300000406974	0	41	-2.0	-111.62	371.61	4.91	-106.71
CCC1=C(S(=O)(=O)[N-]C2=CC=CN=C2OCC(F)F)C=C(C(=O)[O-])O1	REAL300000406975	0	37	-2.0	-105.95	349.65	3.03	-102.92
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000406976	0	40	-2.0	-117.68	353.33	2.51	-115.17
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000406977	0	40	-2.0	-107.85	349.18	2.50	-105.35
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000406978	0	40	-2.0	-120.57	348.80	2.48	-118.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C)C=C1C(N)=O	REAL300000406979	0	44	-2.0	-124.88	376.94	2.28	-122.60
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000406980	0	44	-2.0	-106.35	381.66	3.81	-102.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000406981	0	43	-2.0	-122.44	366.22	3.05	-119.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)=C1C	REAL300000406982	0	46	-2.0	-122.21	382.30	3.83	-118.38
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(N)=O)=C1	REAL300000406983	0	40	-2.0	-117.79	355.67	2.57	-115.22
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000406984	0	46	-2.0	-105.29	392.38	4.06	-101.23
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(N)=O)=C1	REAL300000406985	0	37	-2.0	-115.19	343.38	1.53	-113.66
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C)C=C1C(N)=O	REAL300000406986	0	43	-2.0	-120.35	365.63	3.30	-117.05
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000406987	0	44	-2.0	-104.85	379.88	2.76	-102.09
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000406988	0	41	-2.0	-119.18	355.44	1.83	-117.35
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C)C=C1C(N)=O	REAL300000406989	0	44	-2.0	-120.12	372.58	1.32	-118.80
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)=C1	REAL300000406990	0	40	-2.0	-110.94	357.91	2.16	-108.78
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000406991	0	46	-2.0	-121.75	381.64	3.83	-117.92
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000406992	0	37	-2.0	-116.42	340.85	1.53	-114.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000406993	0	44	-2.0	-126.86	377.48	2.58	-124.28
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C)C=C1C(N)=O	REAL300000406994	0	46	-2.0	-116.86	375.80	4.16	-112.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000406995	0	40	-2.0	-113.54	352.21	1.64	-111.90
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)=C1	REAL300000406996	0	44	-2.0	-123.56	379.11	1.61	-121.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C)C=C1C(N)=O	REAL300000406997	0	43	-2.0	-110.76	369.51	3.30	-107.46
CC1=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)C=C(C(=O)[O-])S1	REAL300000406998	0	40	-2.0	-116.53	358.82	2.40	-114.13
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(N)=O)=C1	REAL300000406999	0	40	-2.0	-105.14	363.24	3.07	-102.07
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(N)=O)=C1	REAL300000407000	0	40	-2.0	-107.33	354.71	2.55	-104.78
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(N)=O)=C1	REAL300000407001	0	37	-2.0	-110.13	342.46	1.64	-108.49
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000407002	0	40	-2.0	-111.92	356.61	2.58	-109.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)=C1F	REAL300000407003	0	43	-2.0	-118.96	374.53	3.17	-115.79
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(N)=O)=C1	REAL300000407004	0	40	-2.0	-107.52	354.26	2.55	-104.97
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(N)=O)=C1	REAL300000407005	0	40	-2.0	-105.57	362.68	2.91	-102.66
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(N)=O)=C1	REAL300000407006	0	41	-2.0	-118.61	359.91	0.21	-118.40
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000407007	0	43	-2.0	-110.69	372.37	3.30	-107.39
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(N(C)C)C=C1C(N)=O	REAL300000407008	0	43	-2.0	-117.73	359.24	3.13	-114.60
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)=CC(C(=O)[O-])=C1F	REAL300000407009	0	43	-2.0	-119.62	374.02	3.14	-116.48
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N(C)C)C=C1C(N)=O	REAL300000407010	0	43	-2.0	-107.64	365.61	3.29	-104.35
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)=CC(C(=O)[O-])=C1C	REAL300000407011	0	46	-2.0	-124.62	382.07	3.56	-121.06
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(N)=O)=C1	REAL300000407012	0	40	-2.0	-108.98	360.52	2.60	-106.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)C(C)=C1C(=O)[O-]	REAL300000407013	0	46	-2.0	-122.11	383.68	3.88	-118.23
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000407014	0	43	-2.0	-119.17	371.67	3.11	-116.06
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)=C1	REAL300000407015	0	43	-2.0	-127.09	373.85	3.17	-123.92
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000407016	0	46	-2.0	-122.90	382.74	3.67	-119.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000407017	0	44	-2.0	-120.34	376.83	2.70	-117.64
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)=CC=C1C(=O)[O-]	REAL300000407018	0	43	-2.0	-109.69	369.25	3.14	-106.55
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C)C=C1C(N)=O	REAL300000407019	0	43	-2.0	-116.62	368.75	3.29	-113.33
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(N)=O)=C1	REAL300000407020	0	40	-2.0	-125.92	352.44	2.50	-123.42
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000407021	0	43	-2.0	-112.88	371.35	3.08	-109.80
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(N)=O)=C1	REAL300000407022	0	39	-2.0	-119.14	346.41	0.63	-118.51
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N(C)C)C=C1C(N)=O	REAL300000407023	0	44	-2.0	-112.01	377.39	2.29	-109.72
CN(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000407024	0	37	-2.0	-107.74	348.91	1.45	-106.29
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000407025	0	43	-2.0	-112.40	368.48	2.48	-109.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(C(C)C)C=C1C	REAL300000407029	0	47	-2.0	-112.01	389.74	8.48	-103.53
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000407033	0	43	-2.0	-104.11	366.91	8.79	-95.32
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000407035	0	40	-2.0	-101.87	354.63	7.76	-94.11
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000407038	1	44	-2.0	-105.86	368.23	8.07	-97.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=C(C(C)C)C=C2C)=C1	REAL300000407040	0	43	-2.0	-97.73	370.71	8.40	-89.33
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000407042	1	40	-2.0	-102.78	352.61	7.77	-95.01
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(C(C)C)C=C1C	REAL300000407046	0	50	-2.0	-110.89	412.02	9.24	-101.65
CC1=CC(C(C)C)=CC(C)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000407047	0	46	-2.0	-109.79	394.59	8.99	-100.80
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C(C)C)C=C2C)C=C(C(=O)[O-])O1	REAL300000407049	0	43	-2.0	-101.17	363.77	7.84	-93.33
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C)C=C(C(C)C)C=C2C)=C1	REAL300000407050	0	47	-2.0	-107.72	390.13	7.74	-99.98
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000407052	1	46	-2.0	-98.66	380.25	9.43	-89.23
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C(C)C)C=C2C)C=C(C(=O)[O-])S1	REAL300000407055	1	43	-2.0	-103.88	369.34	8.60	-95.28
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000407056	1	43	-2.0	-91.95	372.85	9.22	-82.73
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000407058	0	40	-2.0	-96.29	353.43	7.86	-88.43
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000407059	1	43	-2.0	-98.37	368.00	8.78	-89.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=C(C(C)C)C=C2C)=C1F	REAL300000407060	0	46	-2.0	-105.78	387.36	9.42	-96.36
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000407061	0	43	-2.0	-93.92	367.05	8.78	-85.14
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000407064	1	45	-2.0	-91.86	389.28	9.40	-82.46
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000407065	0	44	-2.0	-106.28	371.31	6.38	-99.90
CC1=CC(C(C)C)=CC(C)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000407065	1	44	-2.0	-105.74	363.76	7.15	-98.59
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000407072	1	45	-2.0	-105.12	388.19	9.80	-95.32
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000407073	0	43	-2.0	-96.33	372.92	8.82	-87.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=C(C(C)C)C=C2C)C=C1C(=O)[O-]	REAL300000407075	0	46	-2.0	-105.46	382.68	9.34	-96.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=C(C(C)C)C=C2C)=C1Cl	REAL300000407076	0	46	-2.0	-104.51	391.57	9.79	-94.72
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C)C=C(C(C)C)C=C2C)=C1	REAL300000407077	0	46	-2.0	-112.00	386.20	9.39	-102.61
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=C(C(C)C)C=C2C)C=C1C(=O)[O-]	REAL300000407082	1	47	-2.0	-107.20	389.60	8.93	-98.27
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000407086	0	45	-2.0	-113.10	385.26	10.53	-102.57
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000407087	0	43	-2.0	-110.70	365.25	8.75	-101.95
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000407089	1	49	-2.0	-115.17	402.08	10.86	-104.31
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000407090	0	42	-2.0	-104.87	357.80	6.84	-98.03
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=C(C(C)C)C=C1C	REAL300000407091	0	47	-2.0	-98.69	389.44	8.45	-90.24
CC1=CC(C(C)C)=CC(C)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000407092	0	40	-2.0	-94.99	361.59	7.70	-87.29
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C(C)C)C=C2C)C=C(C(=O)[O-])O1	REAL300000407095	0	46	-2.0	-101.01	378.72	8.60	-92.41
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000407096	0	29	-2.0	-122.46	300.69	4.04	-118.42
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000407097	1	32	-2.0	-125.10	308.76	5.03	-120.07
COC(=O)CCS(=O)(=O)[N-]C1=CC(OC)=CC(Br)=C1C(=O)[O-]	REAL300000407099	1	34	-2.0	-119.21	327.44	3.61	-115.60
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2)=C1	REAL300000407100	0	32	-2.0	-120.35	313.31	2.75	-117.60
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2)=C1	REAL300000407101	0	29	-2.0	-116.99	290.35	1.44	-115.55
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C=N2)=C1	REAL300000407102	0	32	-2.0	-132.47	312.78	4.13	-128.34
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2C)=C1	REAL300000407103	0	32	-2.0	-118.14	309.15	2.08	-116.06
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=NN(C)C=C2)=C1	REAL300000407105	0	32	-2.0	-132.75	313.78	2.56	-130.19
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C)=C1	REAL300000407106	0	32	-2.0	-115.90	309.00	2.67	-113.23
COCCS(=O)(=O)[N-]C1=CC(OC)=CC(Br)=C1C(=O)[O-]	REAL300000407107	1	32	-2.0	-116.31	305.65	1.85	-114.46
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)CC2CCCO2)=C1	REAL300000407108	1	36	-2.0	-124.56	328.11	3.24	-121.32
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC=N2)=C1	REAL300000407110	0	29	-2.0	-129.96	290.07	2.43	-127.53
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)CCOC(C)C)=C1	REAL300000407117	1	38	-2.0	-117.29	347.78	3.56	-113.73
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)O2)=C1	REAL300000407122	0	32	-2.0	-124.45	313.36	3.86	-120.59
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CO2)=C1	REAL300000407123	0	29	-2.0	-122.74	291.44	3.04	-119.70
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=NN2C)=C1	REAL300000407124	0	31	-2.0	-110.73	303.17	1.45	-109.28
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)CC(C)OC)=C1	REAL300000407127	1	35	-2.0	-121.38	324.31	3.01	-118.37
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC=C2)=C1	REAL300000407129	0	29	-2.0	-120.17	299.87	3.94	-116.23
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=COC=C2)=C1	REAL300000407130	0	29	-2.0	-120.44	291.30	2.92	-117.52
COCC1(S(=O)(=O)[N-]C2=CC(OC)=CC(Br)=C2C(=O)[O-])CC1	REAL300000407131	1	36	-2.0	-118.65	320.27	4.43	-114.22
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=NC=CN2)=C1	REAL300000407132	0	29	-2.0	-124.47	290.39	1.61	-122.86
CCC(CS(=O)(=O)[N-]C1=CC(OC)=CC(Br)=C1C(=O)[O-])OC	REAL300000407135	1	38	-2.0	-121.08	342.53	3.35	-117.73
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CON=C2C)=C1	REAL300000407136	0	31	-2.0	-113.01	305.72	2.99	-110.02
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000407137	0	28	-2.0	-115.37	295.51	2.74	-112.63
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=N2)=C1	REAL300000407138	0	31	-2.0	-125.29	307.56	1.35	-123.94
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)NC=N2)=C1	REAL300000407139	0	32	-2.0	-131.78	307.88	3.14	-128.64
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CO2)=C1	REAL300000407141	0	32	-2.0	-123.46	313.35	3.70	-119.76
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000407142	0	28	-2.0	-113.10	294.41	2.64	-110.46
COC1=CC(Br)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000407143	0	28	-2.0	-118.20	295.35	2.15	-116.05
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000407144	1	37	-2.0	-101.82	345.20	8.17	-93.65
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000407145	1	37	-2.0	-92.43	340.64	8.15	-84.28
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000407146	1	37	-2.0	-103.83	340.65	8.14	-95.69
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=NN=C2C)=C1	REAL300000407147	0	41	-2.0	-108.40	368.80	7.93	-100.47
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000407148	1	41	-2.0	-91.97	372.13	9.43	-82.54
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1	REAL300000407149	1	40	-2.0	-106.19	360.72	8.78	-97.41
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000407150	0	37	-2.0	-99.12	353.78	8.71	-90.41
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000407151	1	37	-2.0	-100.00	353.18	8.53	-91.47
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)=CC=C1	REAL300000407152	1	43	-2.0	-106.10	373.09	9.45	-96.65
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000407153	0	37	-2.0	-100.51	346.19	8.20	-92.31
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000407154	1	43	-2.0	-90.88	384.24	9.72	-81.16
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000407155	0	34	-2.0	-98.58	333.89	7.15	-91.43
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1	REAL300000407156	1	40	-2.0	-104.33	356.08	8.92	-95.41
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000407158	0	38	-2.0	-102.44	347.31	7.49	-94.95
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3C=NN=C3C)=C2)=C1	REAL300000407160	0	37	-2.0	-94.95	349.83	7.82	-87.13
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000407162	0	34	-2.0	-99.98	332.30	7.17	-92.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=NN=C2C)=C1	REAL300000407164	1	43	-2.0	-102.63	370.86	9.85	-92.78
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000407165	1	44	-2.0	-108.15	384.96	10.03	-98.12
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1	REAL300000407166	0	37	-2.0	-98.23	343.72	7.27	-90.96
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1	REAL300000407167	0	41	-2.0	-105.16	369.68	7.22	-97.94
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1	REAL300000407168	1	40	-2.0	-95.44	361.36	8.95	-86.49
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1	REAL300000407169	0	37	-2.0	-101.01	350.35	8.02	-92.99
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000407170	0	37	-2.0	-89.95	353.76	8.70	-81.25
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000407171	1	37	-2.0	-92.15	345.18	8.18	-83.97
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000407172	0	34	-2.0	-93.85	332.98	7.27	-86.58
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000407173	1	37	-2.0	-95.13	347.11	8.20	-86.93
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)=CC=C1	REAL300000407174	0	40	-2.0	-101.88	366.47	8.84	-93.04
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000407175	0	37	-2.0	-91.67	346.17	8.21	-83.46
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000407176	1	37	-2.0	-90.04	353.14	8.54	-81.50
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000407177	1	37	-2.0	-93.77	351.52	8.23	-85.54
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000407178	0	38	-2.0	-103.02	350.35	5.87	-97.15
CC1=NN=CN1C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000407178	1	38	-2.0	-105.18	349.46	6.72	-98.46
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000407179	1	40	-2.0	-95.08	362.84	8.91	-86.17
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1	REAL300000407180	1	40	-2.0	-100.72	350.77	8.78	-91.94
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)=CC=C1	REAL300000407181	1	40	-2.0	-103.06	365.54	8.79	-94.27
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=CC=C1	REAL300000407183	1	43	-2.0	-108.25	377.51	9.31	-98.94
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000407184	0	37	-2.0	-92.73	352.47	8.26	-84.47
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=CC=C1	REAL300000407186	0	40	-2.0	-102.79	365.96	8.82	-93.97
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1	REAL300000407187	0	40	-2.0	-109.08	365.69	8.83	-100.25
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=NN=C3C)=C2)C=C1C(=O)[O-]	REAL300000407188	1	43	-2.0	-105.56	374.89	9.33	-96.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=NN=C3C)=C2)C=C1C(=O)[O-]	REAL300000407189	0	41	-2.0	-103.63	368.68	8.36	-95.27
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1	REAL300000407190	1	40	-2.0	-92.48	356.66	8.68	-83.80
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC=C1	REAL300000407191	1	40	-2.0	-102.43	360.19	8.98	-93.45
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000407192	0	37	-2.0	-108.32	344.27	8.16	-100.16
CC1=NN=CN1C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1	REAL300000407193	1	40	-2.0	-96.90	365.64	8.82	-88.08
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000407194	0	36	-2.0	-100.46	337.64	6.19	-94.27
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C=NN=C2C)=C1	REAL300000407195	0	41	-2.0	-96.17	368.86	7.93	-88.24
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000407196	0	34	-2.0	-92.39	340.80	7.11	-85.28
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000407197	1	44	-2.0	-98.30	386.84	10.03	-88.27
CC1=NN=CN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000407198	1	44	-2.0	-102.15	386.14	10.03	-92.12
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=NN=C3C)=C2)C=C(C(=O)[O-])O1	REAL300000407199	0	40	-2.0	-98.02	362.84	8.12	-89.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=CC=C1F	REAL300000407200	0	34	-2.0	-111.04	322.83	6.38	-104.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1	REAL300000407201	0	34	-2.0	-100.77	318.28	6.36	-94.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1	REAL300000407202	0	34	-2.0	-113.81	318.29	6.34	-107.47
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC=N1	REAL300000407203	0	38	-2.0	-119.48	346.43	6.15	-113.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=CN1	REAL300000407203	1	38	-2.0	-126.52	345.00	6.35	-120.17
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1	REAL300000407204	0	38	-2.0	-100.22	349.74	7.65	-92.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1C(=O)[O-]	REAL300000407205	0	37	-2.0	-114.98	334.30	6.88	-108.10
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1	REAL300000407206	0	34	-2.0	-109.39	331.36	6.92	-102.47
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)=C1	REAL300000407206	1	34	-2.0	-116.60	329.93	7.12	-109.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=CC=C1Cl	REAL300000407207	0	34	-2.0	-109.49	330.80	6.74	-102.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1C	REAL300000407208	0	40	-2.0	-116.57	350.68	7.66	-108.91
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1	REAL300000407209	0	34	-2.0	-111.74	323.76	6.41	-105.33
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)=C1	REAL300000407209	1	34	-2.0	-119.35	322.33	6.61	-112.74
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1	REAL300000407210	0	40	-2.0	-99.79	361.86	7.93	-91.86
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1	REAL300000407211	0	31	-2.0	-108.02	311.48	5.36	-102.66
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)=C1	REAL300000407211	1	31	-2.0	-117.53	310.04	5.57	-111.96
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC=N1	REAL300000407212	0	37	-2.0	-114.61	333.72	7.13	-107.48
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1	REAL300000407213	1	38	-2.0	-98.87	349.36	6.64	-92.23
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1C(=O)[O-]	REAL300000407214	0	35	-2.0	-111.76	324.94	5.71	-106.05
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC=N1	REAL300000407215	1	38	-2.0	-115.00	342.49	5.17	-109.83
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1	REAL300000407216	0	34	-2.0	-103.85	327.40	6.04	-97.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)=C1	REAL300000407216	1	34	-2.0	-113.63	325.96	6.23	-107.40
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1C(=O)[O-]	REAL300000407217	1	40	-2.0	-117.21	353.74	7.77	-109.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=CS1	REAL300000407218	0	31	-2.0	-109.37	309.94	5.39	-103.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1C(=O)[O-]	REAL300000407219	1	38	-2.0	-119.56	345.58	6.42	-113.14
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1	REAL300000407220	0	44	-2.0	-118.63	373.52	8.98	-109.65
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC=N1	REAL300000407221	0	43	-2.0	-115.88	370.70	8.47	-107.41
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC=N1	REAL300000407222	0	40	-2.0	-111.68	343.38	8.43	-103.25
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC=N1	REAL300000407223	0	41	-2.0	-119.00	368.72	6.91	-112.09
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=CN1	REAL300000407223	1	41	-2.0	-128.22	367.29	7.12	-121.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=CC(C(=O)[O-])=C1	REAL300000407224	0	36	-3.0	-189.57	346.69	6.91	-182.66
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NNC=N2)=CC(C(=O)[O-])=C1	REAL300000407224	1	37	-2.0	-113.38	344.70	7.09	-106.29
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1	REAL300000407225	0	41	-2.0	-119.04	362.53	8.25	-110.79
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C(C(=O)[O-])O1	REAL300000407226	0	34	-2.0	-107.26	321.29	5.49	-101.77
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)C=C(C(=O)[O-])O1	REAL300000407226	1	34	-2.0	-115.75	319.86	5.68	-110.07
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1	REAL300000407227	0	38	-2.0	-113.34	347.21	5.44	-107.90
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)=C1	REAL300000407227	1	38	-2.0	-125.57	345.77	5.64	-119.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C(Cl)C=C1F	REAL300000407228	0	34	-2.0	-105.98	335.88	6.94	-99.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)=C(Cl)C=C1F	REAL300000407228	1	34	-2.0	-113.15	334.45	7.14	-106.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=CC=C1OCC(=O)[O-]	REAL300000407229	1	41	-2.0	-99.28	369.44	7.33	-91.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC=N1	REAL300000407230	0	37	-2.0	-105.37	338.58	7.19	-98.18
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1F	REAL300000407231	0	38	-2.0	-98.24	355.58	6.70	-91.54
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1C(=O)[O-]	REAL300000407232	1	41	-2.0	-120.26	367.42	7.33	-112.93
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C(C(=O)[O-])S1	REAL300000407233	0	34	-2.0	-110.92	326.91	6.24	-104.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C(Cl)=C1	REAL300000407234	0	34	-2.0	-97.73	331.34	6.91	-90.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1F	REAL300000407235	0	34	-2.0	-100.19	322.80	6.39	-93.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)S1	REAL300000407236	0	31	-2.0	-102.61	310.54	5.48	-97.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)S1	REAL300000407236	1	31	-2.0	-112.32	309.11	5.68	-106.64
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1	REAL300000407237	0	34	-2.0	-104.66	324.70	6.41	-98.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1F	REAL300000407238	0	37	-2.0	-113.33	344.04	7.05	-106.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)=C1F	REAL300000407238	1	37	-2.0	-121.04	342.61	7.25	-113.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C(F)=C1	REAL300000407239	0	34	-2.0	-100.31	323.75	6.42	-93.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)C(F)=C1	REAL300000407239	1	34	-2.0	-110.08	322.32	6.62	-103.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1Cl	REAL300000407240	0	34	-2.0	-98.22	330.77	6.75	-91.47
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC=N1	REAL300000407241	0	37	-2.0	-107.06	347.32	7.57	-99.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=CC(F)=C1F	REAL300000407242	0	34	-2.0	-102.65	329.12	6.44	-96.21
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1	REAL300000407243	0	36	-2.0	-98.73	346.48	7.02	-91.71
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1	REAL300000407244	0	35	-2.0	-113.44	328.00	4.06	-109.38
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1	REAL300000407245	0	37	-2.0	-105.03	340.46	7.13	-97.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=CC(Cl)=C1F	REAL300000407246	0	34	-2.0	-104.04	339.00	6.88	-97.16
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC=N1	REAL300000407247	0	37	-2.0	-108.50	328.32	6.99	-101.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=CC(C(=O)[O-])=C1F	REAL300000407248	0	37	-2.0	-112.44	343.13	7.00	-105.44
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC=N1	REAL300000407249	1	37	-2.0	-100.43	333.70	7.13	-93.30
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=CC(C(=O)[O-])=C1C	REAL300000407250	0	40	-2.0	-117.01	351.17	7.42	-109.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=CC=C1[N+](=O)[O-]	REAL300000407251	0	36	-2.0	-111.23	344.84	7.44	-103.79
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1	REAL300000407252	0	34	-2.0	-103.32	330.02	6.48	-96.84
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)=C1	REAL300000407252	1	34	-2.0	-111.54	328.59	6.68	-104.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C(C)=C1C(=O)[O-]	REAL300000407253	1	40	-2.0	-112.27	352.77	7.75	-104.52
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1C(=O)[O-]	REAL300000407254	0	37	-2.0	-114.10	343.60	7.04	-107.06
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)C=C1C(=O)[O-]	REAL300000407254	1	37	-2.0	-121.87	342.17	7.25	-114.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1Cl	REAL300000407255	0	37	-2.0	-111.31	350.05	7.49	-103.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)=C1Cl	REAL300000407255	1	37	-2.0	-118.61	348.62	7.69	-110.92
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1	REAL300000407256	0	37	-2.0	-117.61	343.32	7.04	-110.57
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)=C1	REAL300000407256	1	37	-2.0	-129.78	341.87	7.24	-122.54
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1C(=O)[O-]	REAL300000407257	0	40	-2.0	-115.71	352.61	7.54	-108.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1CC(=O)[O-]	REAL300000407258	1	41	-2.0	-114.33	368.76	6.47	-107.86
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC=N1	REAL300000407259	0	37	-2.0	-102.12	344.55	7.53	-94.59
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=CC(C(=O)[O-])=C1Cl	REAL300000407260	0	37	-2.0	-111.26	349.52	7.30	-103.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1C(=O)[O-]	REAL300000407261	0	38	-2.0	-112.94	346.30	6.56	-106.38
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1C(=O)[O-]	REAL300000407262	0	37	-2.0	-108.17	352.06	7.42	-100.75
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=CC=C1C(=O)[O-]	REAL300000407263	0	37	-2.0	-100.90	334.30	6.89	-94.01
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC=N1	REAL300000407264	0	37	-2.0	-112.06	337.82	7.18	-104.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1[N+](=O)[O-]	REAL300000407265	0	36	-2.0	-118.72	342.01	8.21	-110.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)=C1[N+](=O)[O-]	REAL300000407265	1	36	-2.0	-130.02	340.58	8.40	-121.62
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1F	REAL300000407266	0	34	-2.0	-116.74	321.91	6.38	-110.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)=C1F	REAL300000407266	1	34	-2.0	-128.57	320.49	6.57	-122.00
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C1C(=O)[O-]	REAL300000407267	0	37	-2.0	-106.44	343.24	7.03	-99.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=CC2=CC=CC=C21	REAL300000407268	0	40	-2.0	-121.77	359.32	8.48	-113.29
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C1	REAL300000407269	0	33	-2.0	-111.80	315.28	4.40	-107.40
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)=C1	REAL300000407269	1	33	-2.0	-121.37	313.06	4.67	-116.70
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC=N1	REAL300000407270	0	38	-2.0	-104.60	346.49	6.15	-98.45
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=CN1	REAL300000407270	1	38	-2.0	-113.82	345.06	6.34	-107.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)=C(Cl)O1	REAL300000407271	0	31	-2.0	-101.31	318.39	5.32	-95.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)=C(Cl)O1	REAL300000407271	1	31	-2.0	-110.27	316.96	5.52	-104.75
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NNC=N3)C=C2)CC1	REAL300000407272	0	41	-2.0	-107.75	364.41	8.23	-99.52
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NNC=N3)C=C2C1	REAL300000407273	0	41	-2.0	-101.85	363.37	8.23	-93.62
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC=N2)C=C(C(=O)[O-])O1	REAL300000407274	0	37	-2.0	-105.94	336.26	6.66	-99.28
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=CN2)C=C(C(=O)[O-])O1	REAL300000407274	1	37	-2.0	-114.01	335.04	6.65	-107.36
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1	REAL300000407276	0	28	-2.0	-113.05	295.50	5.91	-107.14
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000407277	0	27	-2.0	-96.68	298.83	4.26	-92.42
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407278	1	29	-2.0	-102.67	307.80	6.02	-96.65
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1	REAL300000407279	1	29	-2.0	-98.51	307.77	6.02	-92.49
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407280	0	29	-2.0	-113.95	305.06	5.90	-108.05
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407281	0	31	-2.0	-101.29	303.19	3.45	-97.84
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1	REAL300000407282	1	35	-2.0	-107.77	332.52	7.54	-100.23
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407283	0	30	-2.0	-96.47	301.89	4.55	-91.92
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300000407284	1	28	-2.0	-96.26	299.66	5.75	-90.51
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407285	1	31	-2.0	-106.70	308.37	6.29	-100.41
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300000407287	1	28	-2.0	-102.58	303.69	6.15	-96.43
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1	REAL300000407288	1	33	-2.0	-104.46	327.42	6.02	-98.44
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407289	1	34	-2.0	-106.45	323.86	7.06	-99.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1C	REAL300000407290	1	34	-2.0	-107.52	326.08	6.87	-100.65
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407291	1	33	-2.0	-115.24	327.45	6.01	-109.23
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1	REAL300000407293	1	37	-2.0	-105.32	347.20	7.56	-97.76
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300000407294	0	25	-2.0	-98.41	295.95	5.25	-93.16
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1	REAL300000407295	1	37	-2.0	-105.23	351.35	7.85	-97.38
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407296	0	32	-2.0	-112.55	315.22	5.41	-107.14
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1	REAL300000407297	0	28	-2.0	-107.21	300.10	6.19	-101.02
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000407298	0	25	-2.0	-103.96	278.89	4.63	-99.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1	REAL300000407300	1	31	-2.0	-106.09	308.37	6.30	-99.79
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1	REAL300000407301	0	28	-2.0	-101.99	298.87	5.76	-96.23
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300000407302	1	28	-2.0	-102.75	293.37	5.70	-97.05
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1	REAL300000407303	0	28	-2.0	-96.77	299.78	5.76	-91.01
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300000407305	1	28	-2.0	-99.55	303.69	6.15	-93.40
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000407306	1	28	-2.0	-106.06	286.95	5.63	-100.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)S1	REAL300000407307	0	28	-2.0	-105.00	300.77	5.43	-99.57
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1	REAL300000407308	0	28	-2.0	-104.91	298.87	5.76	-99.15
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407310	0	34	-2.0	-104.65	323.66	4.66	-99.99
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1	REAL300000407311	1	32	-2.0	-105.07	321.46	2.41	-102.66
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1	REAL300000407312	1	34	-2.0	-105.55	329.85	7.07	-98.48
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1	REAL300000407313	1	28	-2.0	-98.88	293.36	5.70	-93.18
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1	REAL300000407314	0	28	-2.0	-110.27	292.44	5.69	-104.58
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407315	1	31	-2.0	-98.64	308.85	6.46	-92.18
CN1C=NC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000407316	0	28	-2.0	-112.33	304.43	5.19	-107.14
CN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000407317	0	28	-2.0	-102.89	291.51	3.34	-99.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1F	REAL300000407319	1	31	-2.0	-103.01	313.68	6.34	-96.67
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407320	0	31	-2.0	-110.47	313.87	6.35	-104.12
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407321	1	31	-2.0	-102.12	308.85	6.46	-95.66
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407322	0	32	-2.0	-107.41	318.15	3.98	-103.43
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CNN=C2)=C1	REAL300000407323	0	25	-2.0	-100.28	268.55	2.02	-98.26
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1	REAL300000407324	0	31	-2.0	-125.53	315.15	4.83	-120.70
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1	REAL300000407325	0	27	-2.0	-96.93	288.37	3.90	-93.03
CN1C=NC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407326	0	28	-2.0	-115.04	291.14	4.71	-110.33
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000407327	0	28	-2.0	-95.27	302.91	4.14	-91.13
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1	REAL300000407328	0	28	-2.0	-108.44	298.74	5.74	-102.70
CC1=NC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=CN1C	REAL300000407329	0	31	-2.0	-116.48	310.66	4.51	-111.97
CCN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000407330	0	31	-2.0	-103.15	313.05	4.18	-98.97
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1	REAL300000407331	1	33	-2.0	-104.47	322.93	4.93	-99.54
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407332	0	28	-2.0	-101.01	287.38	2.68	-98.33
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407333	1	32	-2.0	-107.74	316.47	4.93	-102.81
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407334	1	31	-2.0	-106.07	302.03	6.42	-99.65
CN1C=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300000407336	0	28	-2.0	-111.14	291.80	3.16	-107.98
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407337	0	28	-2.0	-97.92	287.20	3.26	-94.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000407343	0	31	-2.0	-109.92	313.87	6.36	-103.56
CC1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000407344	1	31	-2.0	-99.49	313.68	6.33	-93.16
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CNC=N2)=C1	REAL300000407345	0	25	-2.0	-111.35	268.27	3.01	-108.34
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)SC=C1	REAL300000407347	0	28	-2.0	-106.56	297.70	5.26	-101.30
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407350	1	32	-2.0	-101.86	323.23	6.80	-95.06
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407351	1	32	-2.0	-98.30	323.21	6.79	-91.51
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000407353	0	29	-2.0	-101.57	313.26	6.08	-95.49
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000407354	0	34	-2.0	-103.11	331.72	4.71	-98.40
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=CN1	REAL300000407356	0	34	-2.0	-111.68	330.76	4.07	-107.61
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407360	1	31	-2.0	-102.60	307.35	6.45	-96.15
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)S1	REAL300000407361	0	30	-2.0	-102.32	312.16	4.19	-98.13
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1	REAL300000407362	1	32	-2.0	-110.40	329.21	6.80	-103.60
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407363	1	34	-2.0	-106.91	329.85	7.06	-99.85
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407364	1	31	-2.0	-102.69	314.79	6.36	-96.33
COC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)SC=C1	REAL300000407367	0	29	-2.0	-112.59	308.25	4.33	-108.26
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000407368	0	31	-2.0	-107.57	316.73	6.02	-101.55
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407369	0	28	-2.0	-95.75	301.94	4.58	-91.17
CN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)N=C1Cl	REAL300000407370	0	28	-2.0	-111.03	307.31	4.44	-106.59
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1	REAL300000407371	0	29	-2.0	-111.05	302.80	4.36	-106.69
CC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)S1	REAL300000407372	0	27	-2.0	-101.80	295.49	3.45	-98.35
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407375	0	34	-2.0	-114.15	332.57	6.01	-108.14
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1C#N	REAL300000407377	0	32	-2.0	-114.86	324.22	6.40	-108.46
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407378	0	34	-2.0	-114.09	334.45	6.37	-107.72
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1F	REAL300000407379	0	31	-2.0	-111.36	312.78	6.33	-105.03
CC1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C(C)O1	REAL300000407381	0	31	-2.0	-103.23	309.94	5.21	-98.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)O1	REAL300000407382	0	28	-2.0	-104.95	291.56	4.44	-100.51
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407383	0	31	-2.0	-105.92	319.18	5.99	-99.93
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1	REAL300000407384	0	27	-2.0	-97.18	298.71	4.32	-92.86
CCN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)N=C1C	REAL300000407385	0	34	-2.0	-116.35	332.67	5.42	-110.93
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)S1	REAL300000407386	0	30	-2.0	-101.37	316.97	4.20	-97.17
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1	REAL300000407387	0	31	-2.0	-114.51	314.89	5.94	-108.57
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407391	1	37	-2.0	-108.30	340.97	7.62	-100.68
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CO2)=C1	REAL300000407392	0	25	-2.0	-103.80	269.64	3.62	-100.18
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407393	0	27	-2.0	-93.09	280.38	2.09	-91.00
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300000407394	0	32	-2.0	-107.46	314.95	5.06	-102.40
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407395	1	34	-2.0	-104.28	317.17	7.34	-96.94
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407397	0	31	-2.0	-110.18	306.56	6.59	-103.59
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407399	0	31	-2.0	-102.46	311.53	3.10	-99.36
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407401	1	32	-2.0	-112.61	319.81	6.88	-105.73
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407402	1	32	-2.0	-110.09	329.21	6.79	-103.30
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C(N)=NO1	REAL300000407403	0	29	-2.0	-96.10	293.39	3.02	-93.08
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)S1	REAL300000407405	0	26	-2.0	-96.61	299.47	5.18	-91.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000407406	0	30	-2.0	-102.92	303.57	4.45	-98.47
CC1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=CC=C1C#N	REAL300000407407	1	32	-2.0	-98.22	326.94	6.52	-91.70
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)N(C)N=C1	REAL300000407410	0	31	-2.0	-99.00	303.85	4.10	-94.90
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)O1	REAL300000407411	0	26	-2.0	-97.40	290.89	4.17	-93.23
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CSC=C2)=C1	REAL300000407412	0	25	-2.0	-101.99	278.07	4.53	-97.46
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=COC=C2)=C1	REAL300000407413	0	25	-2.0	-102.47	269.50	3.51	-98.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000407414	0	31	-2.0	-99.23	314.14	2.32	-96.91
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407415	1	34	-2.0	-129.49	331.36	3.21	-126.28
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1	REAL300000407416	0	25	-2.0	-103.70	294.94	5.08	-98.62
CC1=CSC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407417	0	28	-2.0	-104.12	300.53	5.29	-98.83
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1	REAL300000407418	0	25	-2.0	-101.65	285.25	2.44	-99.21
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1	REAL300000407419	0	27	-2.0	-100.62	293.86	3.74	-96.88
CC1=NSC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407420	0	27	-2.0	-98.34	295.46	3.92	-94.42
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1	REAL300000407422	1	32	-2.0	-130.25	318.14	2.87	-127.38
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1	REAL300000407423	1	35	-2.0	-105.41	336.18	7.73	-97.68
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000407424	0	25	-2.0	-105.67	285.24	4.67	-101.00
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1F	REAL300000407425	1	29	-2.0	-95.73	313.68	6.06	-89.67
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407427	1	28	-2.0	-128.69	292.31	1.56	-127.13
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=NC=CN2)=C1	REAL300000407428	0	25	-2.0	-107.79	268.58	2.20	-105.59
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)S1	REAL300000407429	0	31	-2.0	-107.78	319.58	6.06	-101.72
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=NN1C	REAL300000407432	0	31	-2.0	-103.31	307.63	3.85	-99.46
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1	REAL300000407433	1	32	-2.0	-105.99	318.04	6.71	-99.28
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407434	0	31	-2.0	-103.87	310.33	3.99	-99.88
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407435	0	28	-2.0	-96.54	302.82	4.23	-92.31
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1	REAL300000407438	1	33	-2.0	-108.10	322.76	5.48	-102.62
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1	REAL300000407440	0	33	-2.0	-115.52	323.27	5.44	-110.08
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407445	0	27	-2.0	-96.23	283.91	3.57	-92.66
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000407446	0	27	-2.0	-108.17	287.47	3.80	-104.37
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1	REAL300000407449	0	27	-2.0	-95.97	288.38	3.78	-92.19
N#CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=CS1	REAL300000407451	0	26	-2.0	-109.13	297.36	5.02	-104.11
CC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)N1C	REAL300000407457	0	31	-2.0	-102.99	306.11	4.68	-98.31
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407458	0	29	-2.0	-96.78	314.20	6.09	-90.69
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1	REAL300000407459	0	30	-2.0	-116.72	310.13	4.81	-111.91
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1	REAL300000407459	1	30	-2.0	-104.51	310.23	4.67	-99.84
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1	REAL300000407460	0	32	-2.0	-113.11	320.70	5.58	-107.53
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1	REAL300000407462	0	29	-2.0	-102.64	303.15	3.38	-99.26
O=C([O-])C1=CC(Br)=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300000407462	1	29	-2.0	-93.75	302.37	4.14	-89.61
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407463	0	34	-2.0	-103.61	329.82	4.79	-98.82
NC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000407464	0	28	-2.0	-98.43	292.17	2.97	-95.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C(C#N)=C1	REAL300000407465	0	32	-2.0	-112.69	326.46	6.56	-106.13
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407466	0	32	-2.0	-112.86	318.62	6.86	-106.00
COC1=NSC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407467	0	28	-2.0	-95.61	306.21	1.43	-94.18
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000407468	0	24	-2.0	-97.96	273.70	3.33	-94.63
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407470	1	37	-2.0	-104.71	338.62	8.12	-96.59
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1F	REAL300000407471	0	29	-2.0	-108.50	312.78	6.05	-102.45
CN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)N=N1	REAL300000407472	0	27	-2.0	-107.10	285.76	1.95	-105.15
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407473	0	31	-2.0	-101.97	310.55	6.34	-95.63
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1	REAL300000407474	0	25	-2.0	-103.18	292.44	5.06	-98.12
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407475	0	30	-2.0	-93.62	302.19	2.96	-90.66
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1	REAL300000407477	1	29	-2.0	-94.99	301.85	4.41	-90.58
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1	REAL300000407478	0	31	-2.0	-107.90	316.74	5.91	-101.99
CC1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=CN=C1N	REAL300000407479	1	32	-2.0	-105.04	314.99	3.33	-101.71
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407480	0	28	-2.0	-103.08	304.28	1.49	-101.59
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)N=CN1	REAL300000407481	0	28	-2.0	-114.61	285.89	3.70	-110.91
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1	REAL300000407483	0	25	-2.0	-102.50	292.79	5.17	-97.33
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407484	1	37	-2.0	-106.97	351.35	7.84	-99.13
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407485	0	29	-2.0	-108.15	311.47	5.96	-102.19
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407487	1	34	-2.0	-105.05	316.62	7.26	-97.79
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1	REAL300000407488	1	31	-2.0	-104.82	314.94	6.45	-98.37
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407489	0	31	-2.0	-98.74	309.14	3.85	-94.89
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1C	REAL300000407491	1	34	-2.0	-106.47	319.45	6.93	-99.54
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1	REAL300000407492	1	35	-2.0	-107.05	336.18	7.74	-99.31
COC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=CS1	REAL300000407493	0	29	-2.0	-108.99	309.20	4.08	-104.91
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)O1	REAL300000407495	0	31	-2.0	-104.81	313.04	5.22	-99.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)S1	REAL300000407496	0	29	-2.0	-102.20	310.74	4.08	-98.12
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300000407497	0	31	-2.0	-100.68	319.63	4.32	-96.36
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1	REAL300000407498	1	31	-2.0	-108.99	308.60	6.54	-102.45
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1	REAL300000407499	0	31	-2.0	-108.39	312.46	6.02	-102.37
CCN1N=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300000407500	0	30	-2.0	-102.86	307.67	2.49	-100.37
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1	REAL300000407501	0	25	-2.0	-99.04	286.71	4.24	-94.80
CC1=COC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407502	0	28	-2.0	-104.20	291.55	4.29	-99.91
CN1N=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000407503	0	28	-2.0	-100.34	306.82	3.67	-96.67
N#CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)OC=C1	REAL300000407504	0	26	-2.0	-105.56	288.80	4.09	-101.47
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300000407505	0	25	-2.0	-101.84	285.73	4.13	-97.71
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1	REAL300000407506	0	25	-2.0	-99.24	295.77	5.14	-94.10
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1	REAL300000407507	1	35	-2.0	-109.16	330.52	7.79	-101.37
N#CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)C=CO1	REAL300000407509	0	26	-2.0	-105.57	289.92	4.04	-101.53
N#CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)SC=C1	REAL300000407510	0	26	-2.0	-105.20	299.01	4.95	-100.25
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000407511	0	34	-2.0	-99.51	328.69	4.89	-94.62
COC1=NOC(CS(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407512	1	31	-2.0	-100.00	318.02	1.97	-98.03
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300000407514	1	29	-2.0	-106.39	297.99	2.77	-103.62
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000407515	0	24	-2.0	-96.17	272.62	3.23	-92.94
O=C([O-])C1=CC(Br)=CC([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000407516	0	24	-2.0	-100.42	273.55	2.73	-97.69
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000407517	0	31	-2.0	-110.47	313.87	6.35	-104.12
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CCO)C2=CC=C(F)C=C2F)=C1	REAL300000407553	0	36	-2.0	-107.60	331.75	3.84	-103.76
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC(C)(C)C)C=C2F)C=C1C(=O)[O-]	REAL300000407577	1	44	-2.0	-101.54	388.00	7.15	-94.39
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC(C)(C)C)C=C2F)C=C(C(=O)[O-])O1	REAL300000407578	1	43	-2.0	-96.72	384.36	6.95	-89.77
CC(C)(C)OC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(F)=C1	REAL300000407579	0	42	-2.0	-105.58	373.14	6.02	-99.56
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000407580	0	39	-2.0	-118.37	355.55	3.28	-115.09
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000407581	0	39	-2.0	-108.98	350.99	3.27	-105.71
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000407582	0	39	-2.0	-122.78	351.29	3.24	-119.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(C)=O)C=C1OC	REAL300000407583	0	43	-2.0	-128.75	379.44	3.04	-125.71
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000407584	0	43	-2.0	-108.33	382.47	4.56	-103.77
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000407585	0	42	-2.0	-122.74	366.86	3.78	-118.96
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000407586	0	39	-2.0	-118.21	364.38	3.80	-114.41
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000407587	0	39	-2.0	-116.94	363.52	3.64	-113.30
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000407588	0	45	-2.0	-125.80	384.41	4.55	-121.25
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000407589	0	39	-2.0	-120.11	356.78	3.30	-116.81
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000407590	0	45	-2.0	-107.74	394.58	4.84	-102.90
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000407591	0	36	-2.0	-115.89	344.20	2.28	-113.61
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000407592	0	42	-2.0	-122.89	366.45	4.03	-118.86
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000407593	0	43	-2.0	-106.94	382.08	3.54	-103.40
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000407594	0	40	-2.0	-120.57	357.67	2.59	-117.98
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000407595	0	43	-2.0	-124.46	375.09	2.06	-122.40
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000407596	0	39	-2.0	-111.74	360.40	2.92	-108.82
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000407597	0	45	-2.0	-123.89	382.88	4.55	-119.34
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000407598	0	36	-2.0	-116.99	342.94	2.27	-114.72
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(C)=O)C=C2OC)C=C1C(=O)[O-]	REAL300000407599	0	43	-2.0	-128.62	378.58	3.31	-125.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(C)=O)C=C1OC	REAL300000407600	0	45	-2.0	-121.96	381.42	4.95	-117.01
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000407601	0	39	-2.0	-115.29	354.04	2.39	-112.90
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000407602	0	43	-2.0	-122.12	379.94	2.33	-119.79
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000407603	0	42	-2.0	-113.81	372.01	4.03	-109.78
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000407604	0	39	-2.0	-118.94	359.66	3.14	-115.80
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000407605	0	39	-2.0	-106.15	364.36	3.80	-102.35
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000407606	0	39	-2.0	-107.92	355.85	3.27	-104.65
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000407607	0	36	-2.0	-110.56	343.56	2.36	-108.20
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000407608	0	39	-2.0	-111.98	357.43	3.30	-108.68
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000407609	0	42	-2.0	-121.58	376.77	3.94	-117.64
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000407610	0	39	-2.0	-108.09	356.50	3.32	-104.77
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000407611	0	39	-2.0	-106.12	363.52	3.65	-102.47
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000407612	0	40	-2.0	-122.66	361.02	0.94	-121.72
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000407613	0	42	-2.0	-112.98	372.91	4.04	-108.94
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000407614	0	42	-2.0	-118.27	361.47	3.86	-114.41
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000407615	0	42	-2.0	-119.90	376.14	3.88	-116.02
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000407616	0	42	-2.0	-108.97	366.72	3.99	-104.98
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000407617	0	45	-2.0	-124.73	383.69	4.30	-120.43
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000407618	0	45	-2.0	-121.32	385.52	4.63	-116.69
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000407619	0	42	-2.0	-121.43	372.62	3.86	-117.57
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000407620	0	42	-2.0	-125.96	376.05	3.93	-122.03
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(C)=O)C=C2OC)C=C1C(=O)[O-]	REAL300000407621	0	45	-2.0	-123.35	385.54	4.41	-118.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(C)=O)C=C2OC)C=C1C(=O)[O-]	REAL300000407622	0	43	-2.0	-122.14	379.32	3.45	-118.69
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000407623	0	42	-2.0	-110.65	370.30	3.85	-106.80
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000407624	0	42	-2.0	-120.85	371.24	4.05	-116.80
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000407625	0	39	-2.0	-125.08	354.66	3.27	-121.81
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000407626	0	42	-2.0	-113.87	372.24	3.82	-110.05
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000407627	0	38	-2.0	-119.40	347.23	1.36	-118.04
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000407628	0	43	-2.0	-113.28	379.51	3.03	-110.25
COC1=CC(NC(C)=O)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000407629	0	36	-2.0	-109.09	350.85	2.24	-106.85
CCC1=C(S(=O)(=O)[N-]C2=CC=C(NC(C)=O)C=C2OC)C=C(C(=O)[O-])O1	REAL300000407630	0	42	-2.0	-115.65	373.13	3.23	-112.42
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)N=C1	REAL300000407631	1	41	-2.0	-116.48	369.27	7.98	-108.50
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)N=C1	REAL300000407632	1	41	-2.0	-106.06	364.72	7.95	-98.11
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)N=C1	REAL300000407633	0	41	-2.0	-119.58	364.74	7.94	-111.64
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)N=C1	REAL300000407634	0	45	-2.0	-104.36	396.20	9.24	-95.12
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)N=C1	REAL300000407635	1	44	-2.0	-122.38	384.80	8.59	-113.79
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)N=C1	REAL300000407636	1	47	-2.0	-121.17	397.40	9.29	-111.88
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)N=C1	REAL300000407637	0	41	-2.0	-116.79	370.21	8.01	-108.78
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)N=C1	REAL300000407638	0	47	-2.0	-103.77	408.31	9.54	-94.23
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)N=C1	REAL300000407639	0	38	-2.0	-113.78	357.92	6.96	-106.82
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)N=C1	REAL300000407640	1	44	-2.0	-118.85	380.17	8.73	-110.12
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)N=C1	REAL300000407641	0	42	-2.0	-117.68	371.39	7.29	-110.39
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)N=C1	REAL300000407642	0	41	-2.0	-109.60	373.85	7.63	-101.97
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)N=C1	REAL300000407643	1	47	-2.0	-120.30	396.20	9.27	-111.03
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)N=C1	REAL300000407644	0	38	-2.0	-114.95	356.39	6.98	-107.97
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC=C1N1C=C(C)C=N1	REAL300000407645	1	47	-2.0	-115.60	389.72	9.80	-105.80
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)N=C1	REAL300000407646	0	41	-2.0	-112.02	367.75	7.08	-104.94
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)N=C1	REAL300000407647	0	41	-2.0	-115.13	374.43	7.83	-107.30
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)N=C1	REAL300000407648	0	41	-2.0	-105.29	369.25	7.99	-97.30
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)N=C1	REAL300000407649	0	38	-2.0	-108.34	357.00	7.08	-101.26
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)N=C1	REAL300000407650	0	41	-2.0	-110.30	371.14	8.01	-102.29
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)N=C1	REAL300000407651	0	41	-2.0	-106.00	370.20	8.02	-97.98
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)N=C1	REAL300000407652	0	42	-2.0	-117.27	374.45	5.65	-111.62
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)N=C1	REAL300000407653	0	44	-2.0	-109.35	386.91	8.73	-100.62
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)N=C1	REAL300000407654	1	44	-2.0	-115.51	374.77	8.57	-106.94
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)N=C1	REAL300000407655	1	44	-2.0	-105.36	380.15	8.72	-96.64
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)N=C1	REAL300000407656	1	47	-2.0	-123.32	397.61	9.01	-114.31
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)N=C1	REAL300000407657	1	47	-2.0	-119.75	399.21	9.33	-110.42
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2N2C=C(C)C=N2)C=C1C(=O)[O-]	REAL300000407658	1	47	-2.0	-121.75	399.06	9.13	-112.62
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2N2C=C(C)C=N2)C=C1C(=O)[O-]	REAL300000407659	0	45	-2.0	-119.02	392.76	8.16	-110.86
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)N=C1	REAL300000407660	1	44	-2.0	-106.36	380.75	8.49	-97.87
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)N=C1	REAL300000407661	0	41	-2.0	-124.27	368.37	7.97	-116.30
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)N=C1	REAL300000407662	0	40	-2.0	-115.79	361.72	6.00	-109.79
CC1=CN(C2=CC=C(C)C=C2[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)N=C1	REAL300000407663	0	38	-2.0	-106.31	364.84	6.93	-99.38
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2N2C=C(C)C=N2)C=C(C(=O)[O-])O1	REAL300000407664	0	44	-2.0	-110.42	382.37	8.07	-102.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(Cl)=C2)C=C1	REAL300000407665	1	28	-2.0	-88.13	301.78	6.09	-82.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(Cl)=C2)=C1	REAL300000407666	1	28	-2.0	-100.16	301.79	6.08	-94.08
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Br)C(Cl)=C2)=C1	REAL300000407667	0	25	-2.0	-94.61	294.97	5.10	-89.51
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Br)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000407668	0	29	-2.0	-98.55	308.44	5.44	-93.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(Cl)=C2)=CS1	REAL300000407669	0	25	-2.0	-96.05	293.44	5.13	-90.92
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000407670	0	28	-2.0	-94.87	304.80	5.22	-89.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(Cl)=C2)S1	REAL300000407671	0	25	-2.0	-89.69	294.06	5.21	-84.48
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Br)C(Cl)=C2)=C1	REAL300000407672	0	27	-2.0	-94.71	298.77	4.14	-90.57
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000407673	1	43	-2.0	-93.94	385.21	4.87	-89.07
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000407674	1	36	-2.0	-110.83	333.28	6.31	-104.52
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000407675	0	44	-2.0	-110.73	388.37	7.38	-103.35
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000407676	1	36	-2.0	-100.93	328.73	6.29	-94.64
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000407677	1	36	-2.0	-113.46	328.75	6.28	-107.18
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000407678	0	40	-2.0	-117.87	356.89	6.08	-111.79
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000407679	1	40	-2.0	-100.05	360.20	7.58	-92.47
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000407680	1	39	-2.0	-114.67	344.77	6.82	-107.85
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000407681	0	36	-2.0	-107.97	341.82	6.86	-101.11
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000407682	1	36	-2.0	-109.20	341.25	6.68	-102.52
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000407683	1	42	-2.0	-115.15	361.43	7.64	-107.51
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000407684	0	36	-2.0	-109.96	334.23	6.35	-103.61
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000407685	1	42	-2.0	-99.07	372.32	7.87	-91.20
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000407686	0	33	-2.0	-107.68	321.93	5.30	-102.38
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000407687	1	39	-2.0	-113.06	344.18	7.07	-105.99
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000407689	0	37	-2.0	-111.84	335.40	5.64	-106.20
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000407691	0	36	-2.0	-103.79	337.87	5.97	-97.82
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000407693	0	33	-2.0	-109.10	320.40	5.32	-103.78
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000407694	1	44	-2.0	-114.11	387.07	6.09	-108.02
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000407696	1	46	-2.0	-116.94	384.00	8.90	-108.04
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000407697	1	45	-2.0	-115.13	382.65	8.29	-106.84
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000407698	1	42	-2.0	-110.98	358.90	8.01	-102.97
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000407699	0	43	-2.0	-119.52	379.18	6.85	-112.67
CCC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000407700	0	39	-2.0	-111.16	363.70	6.72	-104.44
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000407700	1	38	-3.0	-190.44	357.15	6.85	-183.59
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000407701	1	43	-2.0	-117.38	372.99	8.18	-109.20
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000407702	0	36	-2.0	-106.51	331.76	5.42	-101.09
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000407703	1	42	-2.0	-118.38	370.93	6.06	-112.32
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000407704	0	40	-2.0	-114.80	357.74	5.38	-109.42
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000407705	1	44	-2.0	-100.17	382.38	6.90	-93.27
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000407706	0	36	-2.0	-104.58	346.34	6.87	-97.71
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000407707	1	40	-2.0	-97.25	375.85	7.11	-90.14
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000407709	1	39	-2.0	-103.84	349.46	7.10	-96.74
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000407710	1	40	-2.0	-98.19	366.04	6.63	-91.56
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000407712	0	36	-2.0	-109.62	337.35	6.17	-103.45
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000407713	0	36	-2.0	-98.30	341.80	6.84	-91.46
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000407714	1	36	-2.0	-100.35	333.26	6.32	-94.03
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000407715	0	33	-2.0	-102.57	321.02	5.41	-97.16
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000407716	1	36	-2.0	-104.24	335.16	6.35	-97.89
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000407717	0	39	-2.0	-111.31	354.51	6.99	-104.32
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000407718	0	40	-2.0	-103.10	369.06	6.90	-96.20
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000407719	0	36	-2.0	-100.54	334.21	6.35	-94.19
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000407720	1	36	-2.0	-98.42	341.23	6.69	-91.73
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000407721	1	39	-2.0	-105.40	358.19	7.50	-97.90
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000407722	1	44	-2.0	-96.60	392.50	7.70	-88.90
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000407723	1	36	-2.0	-102.33	339.57	6.38	-95.95
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000407724	0	38	-2.0	-98.26	356.94	6.95	-91.31
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000407725	0	37	-2.0	-111.51	338.46	4.00	-107.51
CCC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000407725	1	37	-2.0	-110.79	337.66	4.80	-105.99
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000407726	1	39	-2.0	-103.61	350.92	7.07	-96.54
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000407727	1	36	-2.0	-103.76	349.46	6.81	-96.95
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000407728	1	39	-2.0	-110.51	338.82	6.92	-103.59
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000407729	1	39	-2.0	-112.22	353.58	6.93	-105.29
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000407731	1	42	-2.0	-118.12	365.55	7.45	-110.67
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000407732	0	38	-2.0	-111.67	355.30	7.38	-104.29
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000407733	0	36	-2.0	-101.76	340.51	6.41	-95.35
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000407735	0	39	-2.0	-112.24	354.07	6.98	-105.26
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000407736	0	39	-2.0	-109.69	360.51	7.42	-102.27
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000407737	0	39	-2.0	-119.66	353.78	6.98	-112.68
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000407738	1	42	-2.0	-115.41	362.68	7.47	-107.94
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000407739	1	43	-2.0	-114.07	379.21	6.41	-107.66
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000407740	1	39	-2.0	-103.43	355.54	7.43	-96.00
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000407741	1	39	-2.0	-111.04	359.97	7.24	-103.80
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000407742	0	40	-2.0	-113.14	356.88	6.50	-106.64
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000407744	1	39	-2.0	-108.04	362.49	7.35	-100.69
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000407745	0	45	-2.0	-109.15	378.21	8.40	-100.75
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000407746	0	40	-2.0	-113.49	369.08	6.91	-106.58
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000407747	1	39	-2.0	-101.07	344.75	6.83	-94.24
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000407748	0	41	-2.0	-107.16	372.02	8.48	-98.68
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000407749	1	39	-2.0	-110.68	348.29	7.12	-103.56
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000407750	0	38	-2.0	-121.92	352.50	8.14	-113.78
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000407751	0	36	-2.0	-118.78	332.36	6.31	-112.47
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000407752	1	39	-2.0	-106.26	353.69	6.96	-99.30
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000407753	1	42	-2.0	-121.99	369.79	8.40	-113.59
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000407754	0	35	-2.0	-111.31	324.97	4.41	-106.90
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000407755	0	40	-2.0	-105.09	356.95	6.09	-99.00
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000407756	0	33	-2.0	-100.64	328.90	5.26	-95.38
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000407757	1	43	-2.0	-106.87	374.87	8.17	-98.70
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000407758	1	43	-2.0	-112.48	374.19	8.16	-104.32
CCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000407759	0	39	-2.0	-106.04	350.88	6.27	-99.77
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1	REAL300000407760	1	36	-2.0	-87.95	333.17	0.74	-87.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC=C1F	REAL300000407761	1	29	-2.0	-103.84	281.23	2.18	-101.66
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407762	0	37	-2.0	-105.36	336.31	3.24	-102.12
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407763	0	29	-2.0	-101.72	293.11	2.86	-98.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407764	0	33	-2.0	-112.00	304.84	1.95	-110.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC=C1Br	REAL300000407765	1	29	-2.0	-101.66	292.95	2.64	-99.02
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1	REAL300000407766	1	33	-2.0	-93.85	308.16	3.45	-90.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1C(=O)[O-]	REAL300000407767	1	32	-2.0	-107.28	292.71	2.69	-104.59
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407768	0	29	-2.0	-102.36	289.76	2.72	-99.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC=C1Cl	REAL300000407769	1	29	-2.0	-102.15	289.21	2.54	-99.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C(Cl)C=C1Cl	REAL300000407770	0	29	-2.0	-97.94	302.27	3.10	-94.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1C	REAL300000407771	1	35	-2.0	-109.46	309.09	3.46	-106.00
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407772	0	29	-2.0	-103.99	282.17	2.21	-101.78
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1	REAL300000407773	1	35	-2.0	-93.16	320.28	3.73	-89.43
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407774	1	32	-2.0	-107.52	292.12	2.94	-104.58
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1	REAL300000407775	1	33	-2.0	-92.61	307.77	2.43	-90.18
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(O)=C3)C=C2)C1	REAL300000407776	1	40	-2.0	-89.42	353.53	3.22	-86.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C(Br)S1	REAL300000407777	0	26	-2.0	-97.91	286.88	1.94	-95.97
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1F	REAL300000407779	0	29	-2.0	-102.47	301.62	2.79	-99.68
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407780	0	29	-2.0	-96.97	285.81	1.84	-95.13
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1C(=O)[O-]	REAL300000407781	1	35	-2.0	-109.19	307.76	3.50	-105.69
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000407782	1	37	-2.0	-106.45	335.00	1.96	-104.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1C(=O)[O-]	REAL300000407783	1	33	-2.0	-112.88	303.98	2.22	-110.66
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407784	1	39	-2.0	-111.43	331.94	4.78	-106.65
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407785	1	38	-2.0	-109.77	330.59	4.15	-105.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407786	1	35	-2.0	-105.91	306.84	3.87	-102.04
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407787	0	36	-2.0	-112.92	327.13	2.72	-110.20
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(O)=C2)=C1	REAL300000407788	0	32	-2.0	-112.24	311.81	2.58	-109.66
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407788	1	31	-3.0	-181.19	305.10	2.72	-178.47
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407789	1	36	-2.0	-111.72	320.94	4.05	-107.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC2=C1OCCO2	REAL300000407790	1	35	-2.0	-111.67	318.87	1.92	-109.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407791	0	33	-2.0	-107.33	305.68	1.24	-106.09
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(O)=C3)C=C2C1	REAL300000407792	1	37	-2.0	-93.70	330.33	2.76	-90.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC(Cl)=C1Cl	REAL300000407793	1	29	-2.0	-95.96	304.37	3.00	-92.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C(Cl)C=C1F	REAL300000407794	0	29	-2.0	-99.12	294.29	2.73	-96.39
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1Cl	REAL300000407795	1	33	-2.0	-91.23	323.79	2.98	-88.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC=C1OCC(=O)[O-]	REAL300000407796	1	36	-2.0	-93.13	327.85	3.13	-90.00
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1F	REAL300000407797	1	39	-2.0	-92.11	356.43	3.40	-88.71
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407798	1	32	-2.0	-98.09	297.41	2.98	-95.11
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC=C1OCCCC(=O)[O-]	REAL300000407799	1	42	-2.0	-93.28	370.28	4.07	-89.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1F	REAL300000407800	1	33	-2.0	-92.25	313.99	2.50	-89.75
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1Cl	REAL300000407801	1	39	-2.0	-91.76	366.24	3.89	-87.87
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1C(=O)[O-]	REAL300000407802	1	36	-2.0	-112.72	325.83	3.13	-109.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C(C(=O)[O-])S1	REAL300000407803	0	29	-2.0	-104.21	285.29	2.04	-102.17
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407804	0	29	-2.0	-96.11	304.91	3.17	-92.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C(Cl)=C1	REAL300000407805	0	29	-2.0	-91.73	289.74	2.71	-89.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C(Br)=C1	REAL300000407806	0	29	-2.0	-91.26	293.09	2.85	-88.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1F	REAL300000407807	1	29	-2.0	-93.85	281.21	2.19	-91.66
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407808	1	29	-2.0	-97.86	283.10	2.22	-95.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1F	REAL300000407809	0	32	-2.0	-105.15	302.45	2.86	-102.29
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000407810	0	33	-2.0	-96.31	317.00	2.77	-93.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C(F)=C1	REAL300000407811	0	29	-2.0	-93.56	282.16	2.22	-91.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1Cl	REAL300000407812	1	29	-2.0	-91.93	289.18	2.55	-89.38
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407813	1	32	-2.0	-99.79	306.14	3.35	-96.44
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407814	1	32	-2.0	-96.20	308.04	3.40	-92.80
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1	REAL300000407815	1	37	-2.0	-90.74	340.44	3.56	-87.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1Br	REAL300000407816	1	29	-2.0	-91.44	292.93	2.65	-88.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC(F)=C1F	REAL300000407817	1	29	-2.0	-95.47	287.51	2.24	-93.23
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407818	0	31	-2.0	-91.83	304.89	2.81	-89.02
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407819	0	30	-2.0	-106.25	286.41	-0.13	-106.38
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(O)=C2)=C1	REAL300000407819	1	30	-2.0	-106.26	285.60	0.66	-105.60
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1C(=O)[O-]	REAL300000407820	1	32	-2.0	-101.27	314.54	3.31	-97.96
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1	REAL300000407821	1	32	-2.0	-97.73	298.88	2.93	-94.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC(Cl)=C1F	REAL300000407822	1	29	-2.0	-97.52	297.41	2.68	-94.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407823	1	32	-2.0	-102.58	286.76	2.79	-99.79
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407824	1	32	-2.0	-100.34	310.18	3.44	-96.90
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC(C(=O)[O-])=C1F	REAL300000407825	1	32	-2.0	-104.99	301.53	2.80	-102.19
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407826	1	32	-2.0	-94.39	292.10	2.92	-91.47
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC(C(=O)[O-])=C1C	REAL300000407827	1	35	-2.0	-109.17	309.58	3.22	-105.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC=C1[N+](=O)[O-]	REAL300000407828	0	31	-2.0	-105.36	303.25	3.25	-102.11
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407829	0	29	-2.0	-95.59	288.45	2.28	-93.31
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)S1	REAL300000407830	0	26	-2.0	-93.80	289.27	1.83	-91.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C(C)=C1C(=O)[O-]	REAL300000407831	1	35	-2.0	-106.78	311.17	3.54	-103.24
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1C(=O)[O-]	REAL300000407832	0	32	-2.0	-104.87	298.17	2.75	-102.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1Cl	REAL300000407833	0	32	-2.0	-103.91	308.45	3.29	-100.62
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407834	0	32	-2.0	-111.20	301.73	2.84	-108.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1C(=O)[O-]	REAL300000407835	1	35	-2.0	-108.89	310.63	3.34	-105.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C(Br)C=C1F	REAL300000407836	0	29	-2.0	-98.61	297.64	2.89	-95.72
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1CC(=O)[O-]	REAL300000407837	1	36	-2.0	-107.80	327.16	2.28	-105.52
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407838	1	32	-2.0	-95.82	303.48	3.30	-92.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1C(F)(F)F	REAL300000407839	1	32	-2.0	-90.79	306.80	2.97	-87.82
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000407840	1	32	-2.0	-103.76	307.91	3.12	-100.64
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407841	1	29	-2.0	-99.79	297.99	2.77	-97.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1Br	REAL300000407842	0	32	-2.0	-103.47	311.27	3.42	-100.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1C(=O)[O-]	REAL300000407843	0	33	-2.0	-105.92	304.83	2.36	-103.56
O=C([O-])C1=CC(F)=C(Br)C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407845	0	29	-2.0	-94.12	298.79	2.90	-91.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C(F)C(Cl)=C1F	REAL300000407846	0	29	-2.0	-94.32	302.30	2.71	-91.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C(OC(F)(F)F)=C1	REAL300000407847	0	33	-2.0	-93.22	321.39	2.44	-90.78
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1C(=O)[O-]	REAL300000407848	1	32	-2.0	-100.71	310.43	3.22	-97.49
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C(C(=O)[O-])S1	REAL300000407849	0	38	-2.0	-103.87	326.15	4.28	-99.59
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1C(=O)[O-]	REAL300000407850	0	33	-2.0	-107.74	317.02	2.78	-104.96
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=CC=C1C(=O)[O-]	REAL300000407851	1	32	-2.0	-94.35	292.70	2.70	-91.65
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C([N+](=O)[O-])=C1	REAL300000407852	0	34	-2.0	-99.60	319.96	4.35	-95.25
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407853	1	32	-2.0	-104.94	296.65	2.97	-101.97
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CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C1C(=O)[O-]	REAL300000407856	1	32	-2.0	-98.94	301.63	2.83	-96.11
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COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(O)=C1	REAL300000407858	0	33	-2.0	-98.43	304.90	1.95	-96.48
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CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(O)=C2)=C1	REAL300000407861	0	32	-2.0	-97.77	320.02	-0.81	-98.58
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CCC1=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2)C=C(C(=O)[O-])O1	REAL300000407864	0	32	-2.0	-100.54	298.82	2.14	-98.40
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COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CC=C1	REAL300000407868	0	41	-2.0	-112.20	365.12	6.94	-105.26
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000407870	0	40	-2.0	-107.87	352.99	7.66	-100.21
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CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=C1C	REAL300000407873	0	43	-2.0	-109.58	369.63	8.48	-101.10
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CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CC=C1	REAL300000407877	0	40	-2.0	-107.37	352.40	7.92	-99.45
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C1	REAL300000407878	0	41	-2.0	-92.26	368.06	7.41	-84.85
CN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000407879	0	38	-2.0	-105.19	343.63	6.48	-98.71
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CC=C1	REAL300000407880	0	41	-2.0	-107.71	361.18	5.95	-101.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=C1	REAL300000407881	0	37	-2.0	-97.14	346.08	6.81	-90.33
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000407882	0	43	-2.0	-108.64	368.39	8.46	-100.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=CS1	REAL300000407883	0	34	-2.0	-102.44	328.59	6.17	-96.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000407884	0	41	-2.0	-112.87	364.27	7.20	-105.67
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CC=C1	REAL300000407885	0	46	-2.0	-109.30	390.87	9.14	-100.16
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CC=C1	REAL300000407886	0	43	-2.0	-105.03	364.56	8.72	-96.31
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CC=C1	REAL300000407887	0	44	-2.0	-112.78	387.41	7.69	-105.09
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O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=C1	REAL300000407889	0	44	-2.0	-111.77	381.22	9.03	-102.74
CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000407890	0	37	-2.0	-100.60	339.98	6.28	-94.32
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=C1	REAL300000407891	0	41	-2.0	-107.31	365.89	6.23	-101.08
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=CC=C1OCC(=O)[O-]	REAL300000407892	0	44	-2.0	-92.63	388.14	8.12	-84.51
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CC=C1	REAL300000407893	0	40	-2.0	-98.05	357.67	7.96	-90.09
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000407894	0	44	-2.0	-113.52	386.11	8.10	-105.42
CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300000407895	0	37	-2.0	-104.00	345.61	7.03	-96.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C(Cl)=C1	REAL300000407896	0	37	-2.0	-91.60	350.03	7.69	-83.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C1F	REAL300000407897	0	37	-2.0	-93.73	341.49	7.18	-86.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)S1	REAL300000407898	0	34	-2.0	-96.01	329.24	6.26	-89.75
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=C1	REAL300000407899	0	37	-2.0	-97.68	343.38	7.21	-90.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=C1F	REAL300000407900	0	40	-2.0	-105.76	362.74	7.83	-97.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C(F)=C1	REAL300000407901	0	37	-2.0	-93.68	342.44	7.20	-86.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C1Cl	REAL300000407902	0	37	-2.0	-91.71	349.46	7.54	-84.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=CC(F)=C1F	REAL300000407903	0	37	-2.0	-96.06	347.80	7.23	-88.83
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=C1	REAL300000407904	0	39	-2.0	-92.05	365.16	7.81	-84.24
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=C1	REAL300000407905	0	38	-2.0	-106.09	346.70	4.85	-101.24
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C1	REAL300000407906	0	40	-2.0	-97.74	359.15	7.91	-89.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CC=C1	REAL300000407907	0	40	-2.0	-102.52	347.02	7.77	-94.75
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=CC(C(=O)[O-])=C1F	REAL300000407908	0	40	-2.0	-105.52	361.81	7.79	-97.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CC=C1	REAL300000407909	0	40	-2.0	-94.14	352.39	7.91	-86.23
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=CC(C(=O)[O-])=C1C	REAL300000407910	0	43	-2.0	-110.24	369.86	8.20	-102.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=CC=C1[N+](=O)[O-]	REAL300000407911	0	39	-2.0	-104.94	363.54	8.22	-96.72
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=C1	REAL300000407912	0	37	-2.0	-95.95	348.71	7.26	-88.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C(C)=C1C(=O)[O-]	REAL300000407913	0	43	-2.0	-106.45	371.44	8.53	-97.92
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000407914	0	40	-2.0	-105.39	358.45	7.74	-97.65
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=C1	REAL300000407915	0	40	-2.0	-111.18	362.00	7.82	-103.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000407916	0	43	-2.0	-108.51	371.30	8.32	-100.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C1CC(=O)[O-]	REAL300000407917	0	44	-2.0	-109.37	387.44	7.26	-102.11
CCN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000407918	0	41	-2.0	-106.15	365.01	7.36	-98.79
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000407919	0	40	-2.0	-94.29	352.98	7.68	-86.61
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CC=C1	REAL300000407920	0	40	-2.0	-104.69	356.93	7.95	-96.74
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=C1[N+](=O)[O-]	REAL300000407921	0	39	-2.0	-113.18	360.71	8.99	-104.19
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=C1F	REAL300000407922	0	37	-2.0	-110.41	340.61	7.15	-103.26
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000407923	0	40	-2.0	-98.81	358.14	7.71	-91.10
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=C1	REAL300000407924	0	36	-2.0	-104.63	333.19	5.26	-99.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CC=C1	REAL300000407925	0	41	-2.0	-98.18	365.18	6.93	-91.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)=C(Cl)O1	REAL300000407926	0	34	-2.0	-94.65	337.09	6.11	-88.54
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CN=C3C3=CC=CC=C3)C=C2)CC1	REAL300000407927	0	44	-2.0	-100.52	383.10	9.02	-91.50
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CN=C3C3=CC=CC=C3)C=C2C1	REAL300000407928	0	44	-2.0	-102.66	381.03	9.00	-93.66
CCC1=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000407929	0	40	-2.0	-100.00	358.11	7.08	-92.92
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=NN2)O1	REAL300000407930	0	38	-2.0	-112.47	358.69	5.59	-106.88
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2C)O1	REAL300000407930	1	38	-2.0	-103.35	357.19	5.56	-97.79
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=NN2)O1	REAL300000407931	0	38	-2.0	-102.48	354.13	5.56	-96.92
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2C)O1	REAL300000407931	1	38	-2.0	-93.70	352.64	5.53	-88.17
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2C)O1	REAL300000407932	0	38	-2.0	-105.63	354.18	5.52	-100.11
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=NN2)O1	REAL300000407932	1	38	-2.0	-115.66	354.15	5.55	-110.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C(C2=CC=C(C)O2)=NN1	REAL300000407933	0	42	-2.0	-110.46	382.32	5.34	-105.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=C(C)O2)=C1C	REAL300000407933	1	42	-2.0	-121.31	383.79	5.36	-115.95
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=NN2)O1	REAL300000407934	0	42	-2.0	-102.07	387.10	6.85	-95.22
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2C)O1	REAL300000407934	1	42	-2.0	-93.61	384.12	6.82	-86.79
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=NN2)O1	REAL300000407935	0	41	-2.0	-116.37	370.16	6.09	-110.28
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2C)O1	REAL300000407935	1	41	-2.0	-107.94	374.24	6.17	-101.77
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=NN2)O1	REAL300000407936	0	44	-2.0	-118.46	387.25	6.88	-111.58
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=C2C)O1	REAL300000407936	1	44	-2.0	-108.25	384.64	6.86	-101.39
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2C)O1	REAL300000407937	0	38	-2.0	-102.37	359.66	5.59	-96.78
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=NN2)O1	REAL300000407937	1	38	-2.0	-112.86	361.13	5.61	-107.25
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=NN2)O1	REAL300000407938	0	44	-2.0	-101.57	397.72	7.15	-94.42
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2C)O1	REAL300000407938	1	44	-2.0	-92.65	397.74	7.12	-85.53
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=NN2)O1	REAL300000407939	0	35	-2.0	-109.53	347.33	4.58	-104.95
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2C)O1	REAL300000407939	1	35	-2.0	-99.93	347.36	4.55	-95.38
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=NN2)O1	REAL300000407940	0	41	-2.0	-116.66	371.08	6.32	-110.34
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2C)O1	REAL300000407940	1	41	-2.0	-106.26	369.61	6.31	-99.95
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=NN2)O1	REAL300000407941	0	42	-2.0	-100.81	386.71	5.84	-94.97
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2C)O1	REAL300000407941	1	42	-2.0	-92.29	383.74	5.81	-86.48
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2C)O1	REAL300000407942	0	39	-2.0	-104.07	359.29	4.87	-99.20
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=NN2)O1	REAL300000407942	1	39	-2.0	-113.83	360.79	4.90	-108.93
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)=NN2)O1	REAL300000407943	0	42	-2.0	-117.02	379.85	4.35	-112.67
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)=C2C)O1	REAL300000407943	1	42	-2.0	-106.70	378.38	4.34	-102.36
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=NN2)O1	REAL300000407944	0	38	-2.0	-105.29	363.26	5.24	-100.05
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=C2C)O1	REAL300000407944	1	38	-2.0	-96.02	363.31	5.21	-90.81
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=NN2)O1	REAL300000407945	0	44	-2.0	-117.90	387.10	6.86	-111.04
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=C2C)O1	REAL300000407945	1	44	-2.0	-107.28	385.63	6.84	-100.44
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2C)O1	REAL300000407946	0	35	-2.0	-101.48	345.83	4.57	-96.91
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=NN2)O1	REAL300000407946	1	35	-2.0	-111.04	345.81	4.58	-106.46
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=C(C)O3)=C2C)C=C1C(=O)[O-]	REAL300000407947	0	42	-2.0	-121.45	381.43	5.62	-115.83
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C(C3=CC=C(C)O3)=NN2)C=C1C(=O)[O-]	REAL300000407947	1	42	-2.0	-111.54	379.93	5.59	-105.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=C(C)O2)=C1C	REAL300000407948	0	44	-2.0	-114.92	384.27	7.27	-107.65
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C(C2=CC=C(C)O2)=NN1	REAL300000407948	1	44	-2.0	-104.73	382.78	7.26	-97.47
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2C)O1	REAL300000407949	0	38	-2.0	-99.41	357.18	4.67	-94.74
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=NN2)O1	REAL300000407949	1	38	-2.0	-109.04	358.65	4.69	-104.35
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=C2C)O1	REAL300000407950	0	42	-2.0	-106.89	381.58	4.63	-102.26
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=NN2)O1	REAL300000407950	1	42	-2.0	-116.24	383.06	4.66	-111.58
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=C2C)O1	REAL300000407951	0	41	-2.0	-97.12	374.90	6.35	-90.77
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=NN2)O1	REAL300000407951	1	41	-2.0	-106.86	374.85	6.36	-100.50
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=C2C)O1	REAL300000407952	0	38	-2.0	-102.75	362.34	5.41	-97.34
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=NN2)O1	REAL300000407952	1	38	-2.0	-112.77	362.77	5.45	-107.32
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2C)O1	REAL300000407953	0	38	-2.0	-91.39	367.23	6.10	-85.29
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=NN2)O1	REAL300000407953	1	38	-2.0	-100.03	367.19	6.11	-93.92
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2C)O1	REAL300000407954	0	38	-2.0	-93.37	357.16	5.56	-87.81
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=NN2)O1	REAL300000407954	1	38	-2.0	-101.75	358.68	5.59	-96.16
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=NN2)O1	REAL300000407955	0	35	-2.0	-104.11	347.90	4.67	-99.44
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2C)O1	REAL300000407955	1	35	-2.0	-95.04	344.92	4.65	-90.39
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2C)O1	REAL300000407956	0	38	-2.0	-96.55	360.58	5.59	-90.96
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=NN2)O1	REAL300000407956	1	38	-2.0	-105.87	362.05	5.61	-100.26
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=C2C)O1	REAL300000407957	0	41	-2.0	-103.56	379.94	6.23	-97.33
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=NN2)O1	REAL300000407957	1	41	-2.0	-114.27	379.90	6.26	-108.01
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2C)O1	REAL300000407958	0	38	-2.0	-92.84	359.64	5.60	-87.24
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=NN2)O1	REAL300000407958	1	38	-2.0	-101.83	359.60	5.63	-96.20
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=NN2)O1	REAL300000407959	0	38	-2.0	-99.92	366.65	5.96	-93.96
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2C)O1	REAL300000407959	1	38	-2.0	-91.32	365.13	5.93	-85.39
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2C)O1	REAL300000407960	0	39	-2.0	-104.92	363.89	3.25	-101.67
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=NN2)O1	REAL300000407960	1	39	-2.0	-115.39	363.86	3.26	-112.13
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=NN2)O1	REAL300000407961	0	41	-2.0	-106.87	376.32	6.34	-100.53
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2C)O1	REAL300000407961	1	41	-2.0	-96.65	376.34	6.31	-90.34
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=NN2)O1	REAL300000407962	0	41	-2.0	-111.22	365.72	6.17	-105.05
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2C)O1	REAL300000407962	1	41	-2.0	-102.02	364.22	6.16	-95.86
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=NN2)O1	REAL300000407963	0	41	-2.0	-114.19	380.48	6.20	-107.99
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=C2C)O1	REAL300000407963	1	41	-2.0	-104.45	377.48	6.18	-98.27
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=NN2)O1	REAL300000407964	0	41	-2.0	-102.68	369.56	6.32	-96.36
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=C2C)O1	REAL300000407964	1	41	-2.0	-93.88	369.59	6.30	-87.58
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=NN2)O1	REAL300000407965	0	44	-2.0	-118.31	387.02	6.62	-111.69
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=C2C)O1	REAL300000407965	1	44	-2.0	-108.41	385.52	6.59	-101.82
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=NN2)O1	REAL300000407966	0	38	-2.0	-104.18	365.88	5.68	-98.50
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2C)O1	REAL300000407966	1	38	-2.0	-94.31	365.91	5.65	-88.66
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=NN2)O1	REAL300000407967	0	44	-2.0	-115.31	388.63	6.92	-108.39
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=C2C)O1	REAL300000407967	1	44	-2.0	-106.12	388.65	6.91	-99.21
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=C2C)O1	REAL300000407968	0	41	-2.0	-104.54	377.97	6.22	-98.32
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=NN2)O1	REAL300000407968	1	41	-2.0	-115.24	379.46	6.25	-108.99
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=C2C)O1	REAL300000407969	0	41	-2.0	-110.27	377.69	6.22	-104.05
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=NN2)O1	REAL300000407969	1	41	-2.0	-119.84	379.16	6.25	-113.59
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=C(C)O3)=C2C)C=C1C(=O)[O-]	REAL300000407970	0	44	-2.0	-117.19	388.11	6.74	-110.45
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C(C3=CC=C(C)O3)=NN2)C=C1C(=O)[O-]	REAL300000407970	1	44	-2.0	-107.07	386.97	6.71	-100.36
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C(C3=CC=C(C)O3)=NN2)C=C1C(=O)[O-]	REAL300000407971	0	42	-2.0	-105.28	382.24	5.75	-99.53
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=C(C)O3)=C2C)C=C1C(=O)[O-]	REAL300000407971	1	42	-2.0	-115.11	382.17	5.78	-109.33
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=NN2)O1	REAL300000407972	0	41	-2.0	-102.61	370.15	6.10	-96.51
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2C)O1	REAL300000407972	1	41	-2.0	-93.69	370.18	6.07	-87.62
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=NN2)O1	REAL300000407973	0	41	-2.0	-114.12	373.68	6.39	-107.73
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=C2C)O1	REAL300000407973	1	41	-2.0	-104.28	372.19	6.36	-97.92
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2C)O1	REAL300000407974	0	38	-2.0	-109.71	356.30	5.55	-104.16
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=NN2)O1	REAL300000407974	1	38	-2.0	-119.05	357.80	5.59	-113.46
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=C2C)O1	REAL300000407975	0	41	-2.0	-97.34	373.81	6.10	-91.24
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=NN2)O1	REAL300000407975	1	41	-2.0	-106.95	376.81	6.12	-100.83
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2C)O1	REAL300000407976	0	37	-2.0	-102.85	350.39	3.65	-99.20
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=NN2)O1	REAL300000407976	1	37	-2.0	-112.67	351.13	3.61	-109.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C(C2=CC=C(C)O2)=NN1	REAL300000407977	0	42	-2.0	-97.53	382.38	5.33	-92.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C2=CC=C(C)O2)=C1C	REAL300000407977	1	42	-2.0	-106.91	382.35	5.36	-101.55
CC1=CC=C(C2=C(C)C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=NN2)O1	REAL300000407978	0	35	-2.0	-102.71	355.76	4.51	-98.20
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2C)O1	REAL300000407978	1	35	-2.0	-93.54	354.28	4.51	-89.03
CCC1=C(S(=O)(=O)[N-]C2=C(C)C(C3=CC=C(C)O3)=NN2)C=C(C(=O)[O-])O1	REAL300000407979	0	41	-2.0	-99.21	376.30	5.53	-93.68
CCC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=C(C)O3)=C2C)C=C(C(=O)[O-])O1	REAL300000407979	1	41	-2.0	-108.85	377.77	5.54	-103.31
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C#N	REAL300000407982	1	39	-2.0	-100.62	355.15	6.28	-94.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C(C#N)=C1	REAL300000407983	0	43	-2.0	-105.34	383.29	6.07	-99.27
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C#N	REAL300000407984	1	43	-2.0	-88.80	386.61	7.57	-81.23
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C#N	REAL300000407986	0	39	-2.0	-96.18	368.21	6.85	-89.33
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C#N	REAL300000407987	1	39	-2.0	-96.77	367.67	6.67	-90.10
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C#N	REAL300000407989	0	39	-2.0	-97.27	360.64	6.34	-90.93
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C#N	REAL300000407990	1	45	-2.0	-87.65	398.71	7.87	-79.78
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C#N	REAL300000407991	0	36	-2.0	-95.32	348.33	5.29	-90.03
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C#N	REAL300000407994	1	40	-2.0	-99.30	361.79	5.62	-93.68
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C#N)=C2)=C1	REAL300000407996	0	39	-2.0	-91.71	364.29	5.96	-85.75
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C#N	REAL300000407998	1	36	-2.0	-96.72	346.81	5.31	-91.41
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C(C#N)=C1	REAL300000408000	1	45	-2.0	-99.74	385.29	8.01	-91.73
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000408001	0	39	-2.0	-95.25	358.15	5.42	-89.83
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C#N)=C2)=C1	REAL300000408002	0	43	-2.0	-102.00	384.12	5.38	-96.62
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C(C#N)=C1	REAL300000408003	1	42	-2.0	-92.42	375.90	7.10	-85.32
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C#N)=C2)C=C(C(=O)[O-])S1	REAL300000408004	1	39	-2.0	-98.20	363.73	6.17	-92.03
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C#N	REAL300000408005	0	39	-2.0	-86.98	368.19	6.84	-80.14
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C#N	REAL300000408006	1	39	-2.0	-89.05	359.67	6.32	-82.73
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C#N	REAL300000408007	0	36	-2.0	-90.62	347.43	5.41	-85.21
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C#N	REAL300000408008	1	39	-2.0	-91.87	361.55	6.35	-85.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C#N)=C2)=C1F	REAL300000408009	0	42	-2.0	-98.56	380.91	6.98	-91.58
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C#N	REAL300000408010	0	39	-2.0	-88.41	360.60	6.35	-82.06
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C#N	REAL300000408011	1	39	-2.0	-86.89	367.66	6.68	-80.21
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C#N	REAL300000408012	1	39	-2.0	-90.54	365.96	6.37	-84.17
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C#N	REAL300000408013	0	40	-2.0	-101.90	364.33	4.77	-97.13
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C#N	REAL300000408013	1	40	-2.0	-100.08	364.88	3.99	-96.09
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C#N	REAL300000408014	1	42	-2.0	-91.81	377.33	7.06	-84.75
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C#N	REAL300000408019	0	39	-2.0	-89.42	366.92	6.41	-83.01
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000408021	0	42	-2.0	-98.28	376.25	6.87	-91.41
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C#N)=C2)=C1	REAL300000408022	0	42	-2.0	-105.62	380.17	6.97	-98.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000408024	1	43	-2.0	-100.47	383.16	6.49	-93.98
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C#N	REAL300000408027	0	39	-2.0	-104.88	358.78	6.30	-98.58
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000408028	1	42	-2.0	-93.53	379.94	6.96	-86.57
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C#N	REAL300000408029	0	38	-2.0	-97.24	352.13	4.33	-92.91
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C(C#N)=C1	REAL300000408030	0	43	-2.0	-92.97	383.33	6.08	-86.89
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C#N	REAL300000408031	0	36	-2.0	-89.25	355.31	5.26	-83.99
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000408032	0	42	-2.0	-94.99	377.29	6.27	-88.72
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CC2=CC=CC=C2)C2=CC=CC=C2)=C1	REAL300000408061	0	42	-2.0	-116.22	353.22	8.72	-107.50
COC(=O)C1=CC=CC2=C1OCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000408096	0	40	-2.0	-106.66	356.67	5.81	-100.85
CS(=O)(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000408106	1	40	-2.0	-116.30	372.22	4.00	-112.30
CS(=O)(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000408108	0	37	-2.0	-109.51	365.39	3.03	-106.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCS(C)(=O)=O)C=C1	REAL300000408109	1	43	-2.0	-117.37	387.64	4.79	-112.58
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCS(C)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000408110	1	41	-2.0	-114.52	378.85	3.35	-111.17
CS(=O)(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000408111	0	37	-2.0	-111.84	363.85	3.03	-108.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCS(C)(=O)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000408112	0	40	-2.0	-110.10	375.24	3.14	-106.96
CS(=O)(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000408113	0	37	-2.0	-104.60	364.46	3.11	-101.49
CS(=O)(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000408114	0	41	-2.0	-116.20	381.91	1.73	-114.47
CS(=O)(=O)CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000408114	1	41	-2.0	-109.53	381.11	2.49	-107.04
CS(=O)(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000408115	1	43	-2.0	-106.75	394.37	4.77	-101.98
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CCS(C)(=O)=O)C=C1	REAL300000408116	1	43	-2.0	-113.22	386.02	4.74	-108.48
CS(=O)(=O)CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000408119	0	39	-2.0	-113.74	368.41	2.12	-111.62
COC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000408121	1	38	-2.0	-110.45	367.58	6.45	-104.00
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)N1C	REAL300000408122	1	40	-2.0	-106.50	361.26	7.38	-99.12
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)N1C	REAL300000408123	1	40	-2.0	-96.15	356.69	7.36	-88.79
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)N1C	REAL300000408124	1	40	-2.0	-119.43	355.91	7.33	-112.10
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)N1C	REAL300000408125	1	44	-2.0	-96.24	388.16	8.64	-87.60
CC1=NN=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C2)N1C	REAL300000408126	1	43	-2.0	-109.87	372.96	7.88	-101.99
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)N1C	REAL300000408127	0	40	-2.0	-115.83	361.39	7.39	-108.44
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)N1C	REAL300000408128	0	37	-2.0	-113.78	349.10	6.34	-107.44
CC1=NN=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C2)N1C	REAL300000408129	1	43	-2.0	-119.40	372.43	8.13	-111.27
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)N1C	REAL300000408130	0	41	-2.0	-106.10	363.36	6.70	-99.40
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=C(C)N3C)=C2)=C1	REAL300000408131	0	40	-2.0	-109.91	366.11	7.03	-102.88
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)N1C	REAL300000408132	0	37	-2.0	-115.81	347.56	6.36	-109.45
CC1=NN=C(C2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C2)N1C	REAL300000408133	0	40	-2.0	-112.45	358.92	6.46	-105.99
CC1=NN=C(C2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C2)N1C	REAL300000408134	0	40	-2.0	-115.39	364.51	7.22	-108.17
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)N1C	REAL300000408135	1	40	-2.0	-95.65	361.23	7.39	-88.26
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)N1C	REAL300000408136	0	37	-2.0	-109.19	348.19	6.46	-102.73
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)N1C	REAL300000408137	1	40	-2.0	-110.31	362.32	7.40	-102.91
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)N1C	REAL300000408138	0	40	-2.0	-107.08	361.38	7.40	-99.68
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)N1C	REAL300000408139	0	41	-2.0	-117.19	365.63	5.04	-112.15
CC1=NN=C(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)N1C	REAL300000408139	1	41	-2.0	-116.46	354.64	5.92	-110.54
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)N1C	REAL300000408140	1	43	-2.0	-100.06	378.89	8.14	-91.92
CC1=NN=C(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C2)N1C	REAL300000408141	1	43	-2.0	-117.41	366.27	7.97	-109.44
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=C(C)N3C)=C2)C=C1C(=O)[O-]	REAL300000408143	0	44	-2.0	-107.30	384.72	7.56	-99.74
CC1=NN=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C2)N1C	REAL300000408144	1	43	-2.0	-107.38	372.21	7.87	-99.51
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)N1C	REAL300000408145	0	40	-2.0	-124.74	360.62	7.37	-117.37
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)N1C	REAL300000408146	0	39	-2.0	-115.26	353.98	5.40	-109.86
CC1=NN=C(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)N1C	REAL300000408147	0	37	-2.0	-106.81	356.06	6.31	-100.50
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=C(C)N3C)=C2)C=C(C(=O)[O-])O1	REAL300000408148	0	43	-2.0	-111.86	378.05	7.31	-104.55
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000408149	0	35	-2.0	-88.44	334.17	3.22	-85.22
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000408150	0	28	-2.0	-104.65	282.25	4.66	-99.99
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC=C1C	REAL300000408151	0	36	-2.0	-106.40	337.34	5.75	-100.65
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000408152	0	28	-2.0	-102.77	294.14	5.34	-97.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC=C1C	REAL300000408153	0	32	-2.0	-113.37	305.86	4.45	-108.92
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000408154	0	28	-2.0	-102.48	293.96	5.11	-97.37
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000408155	0	32	-2.0	-94.33	309.16	5.92	-88.41
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000408156	1	31	-2.0	-108.34	293.74	5.16	-103.18
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000408157	0	28	-2.0	-103.40	290.79	5.20	-98.20
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000408158	0	28	-2.0	-102.99	290.22	5.02	-97.97
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000408159	0	28	-2.0	-98.88	303.29	5.59	-93.29
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000408160	0	34	-2.0	-110.59	310.82	5.97	-104.62
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000408161	0	28	-2.0	-105.07	283.19	4.70	-100.37
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000408162	0	34	-2.0	-93.78	321.27	6.22	-87.56
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000408163	0	25	-2.0	-101.50	270.91	3.66	-97.84
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000408164	0	31	-2.0	-108.77	293.15	5.42	-103.35
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000408165	1	32	-2.0	-93.03	308.78	4.91	-88.12
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000408166	0	39	-2.0	-89.72	354.55	5.69	-84.03
CC1=CSC=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000408167	0	25	-2.0	-98.75	287.93	4.42	-94.33
CC1=CSC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000408168	0	29	-2.0	-105.75	284.37	3.99	-101.76
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000408169	1	32	-2.0	-109.45	301.50	3.48	-105.97
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000408170	0	28	-2.0	-102.56	302.65	5.27	-97.29
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000408171	0	28	-2.0	-97.52	286.86	4.32	-93.20
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000408172	1	34	-2.0	-111.32	313.17	6.06	-105.26
CC1=CSC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000408173	0	25	-2.0	-102.92	269.37	3.68	-99.24
COC1=CC(S(=O)(=O)[N-]C2=CSC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000408174	0	36	-2.0	-107.57	336.02	4.44	-103.13
COC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2C)C=C1C(=O)[O-]	REAL300000408175	1	32	-2.0	-113.07	304.99	4.71	-108.36
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000408176	0	38	-2.0	-112.74	332.95	7.27	-105.47
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000408177	0	37	-2.0	-111.02	331.62	6.65	-104.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC=C1C	REAL300000408178	0	34	-2.0	-107.09	307.84	6.36	-100.73
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC=C1C	REAL300000408179	0	35	-2.0	-113.49	328.15	5.21	-108.28
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000408180	0	30	-3.0	-181.59	306.12	5.19	-176.40
CC1=CSC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000408180	1	31	-2.0	-107.22	306.63	5.23	-101.99
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000408181	0	35	-2.0	-113.00	321.96	6.53	-106.47
CC1=CSC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000408182	0	28	-2.0	-101.45	280.73	3.78	-97.67
CC1=CSC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000408183	0	34	-2.0	-112.02	319.89	4.40	-107.62
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000408184	0	32	-2.0	-107.49	306.64	3.73	-103.76
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000408185	1	36	-2.0	-93.69	330.65	5.23	-88.46
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000408186	0	28	-2.0	-96.78	305.39	5.48	-91.30
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000408187	0	28	-2.0	-99.95	295.31	5.23	-94.72
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000408188	0	32	-2.0	-91.50	324.81	5.45	-86.05
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000408189	1	35	-2.0	-93.56	328.87	5.62	-87.94
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000408190	0	38	-2.0	-92.46	357.45	5.88	-86.58
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000408191	0	31	-2.0	-99.05	298.43	5.46	-93.59
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000408192	1	41	-2.0	-93.83	371.33	6.55	-87.28
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000408193	0	32	-2.0	-92.41	315.01	4.98	-87.43
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000408194	0	38	-2.0	-92.06	367.26	6.37	-85.69
CCOC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2C)C=C1C(=O)[O-]	REAL300000408195	1	35	-2.0	-113.81	326.85	5.60	-108.21
CC1=CSC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000408196	0	28	-2.0	-105.01	287.41	4.53	-100.48
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000408197	0	28	-2.0	-96.94	305.95	5.66	-91.28
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000408198	0	28	-2.0	-92.10	290.77	5.20	-86.90
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000408199	0	28	-2.0	-91.56	294.12	5.33	-86.23
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000408200	0	28	-2.0	-94.03	282.23	4.68	-89.35
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000408201	0	25	-2.0	-96.27	269.98	3.76	-92.51
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000408202	0	28	-2.0	-98.05	284.14	4.70	-93.35
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000408203	0	31	-2.0	-106.26	303.47	5.33	-100.93
COC1=CC(S(=O)(=O)[N-]C2=CSC=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000408204	0	32	-2.0	-96.59	318.02	5.26	-91.33
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000408205	0	28	-2.0	-93.92	283.18	4.71	-89.21
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000408206	0	28	-2.0	-92.14	290.20	5.03	-87.11
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000408207	0	31	-2.0	-100.83	307.16	5.84	-94.99
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000408208	0	31	-2.0	-96.52	308.55	5.94	-90.58
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000408209	0	36	-2.0	-91.28	341.44	6.04	-85.24
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000408210	0	28	-2.0	-91.70	293.94	5.13	-86.57
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000408211	0	28	-2.0	-96.11	288.54	4.72	-91.39
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000408212	0	30	-2.0	-91.99	305.90	5.30	-86.69
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000408213	0	29	-2.0	-108.02	287.43	2.36	-105.66
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000408214	0	31	-2.0	-101.05	311.60	5.69	-95.36
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000408215	0	31	-2.0	-98.78	299.88	5.41	-93.37
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000408216	0	28	-2.0	-97.63	298.43	5.16	-92.47
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000408217	0	31	-2.0	-102.74	287.76	5.28	-97.46
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000408218	0	31	-2.0	-101.38	311.19	5.93	-95.45
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000408219	0	31	-2.0	-105.93	302.55	5.28	-100.65
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000408220	1	31	-2.0	-94.87	293.13	5.41	-89.46
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000408221	1	34	-2.0	-110.41	310.59	5.70	-104.71
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000408222	0	30	-2.0	-105.08	304.28	5.72	-99.36
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000408223	0	28	-2.0	-96.41	289.46	4.77	-91.64
CC1=CSC=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000408224	0	25	-2.0	-94.09	290.30	4.32	-89.77
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000408225	1	34	-2.0	-107.12	311.25	6.05	-101.07
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000408226	0	31	-2.0	-107.16	303.03	5.34	-101.82
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000408227	0	31	-2.0	-105.01	309.50	5.78	-99.23
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000408228	0	31	-2.0	-111.34	302.76	5.32	-106.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2C)C=C1C(=O)[O-]	REAL300000408229	1	34	-2.0	-109.18	311.69	5.82	-103.36
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000408230	0	28	-2.0	-99.49	298.65	5.37	-94.12
COC1=CC=C(S(=O)(=O)[N-]C2=CSC=C2C)C=C1CC(=O)[O-]	REAL300000408231	1	35	-2.0	-109.20	328.18	4.76	-104.44
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000408232	0	31	-2.0	-96.13	303.98	5.83	-90.30
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000408233	0	31	-2.0	-91.02	307.83	5.43	-85.59
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000408234	0	31	-2.0	-104.78	308.94	5.59	-99.19
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000408235	0	28	-2.0	-100.02	299.02	5.24	-94.78
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300000408236	0	31	-2.0	-104.59	312.32	5.90	-98.69
CCN1C=C(S(=O)(=O)[N-]C2=CSC=C2C)C=C1C(=O)[O-]	REAL300000408237	0	32	-2.0	-106.84	305.75	4.86	-101.98
CC1=CSC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000408238	1	40	-2.0	-106.85	342.87	7.51	-99.34
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000408239	0	28	-2.0	-94.95	299.83	5.39	-89.56
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000408240	0	28	-2.0	-95.06	303.32	5.20	-89.86
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000408241	0	32	-2.0	-93.49	322.42	4.94	-88.55
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000408242	0	31	-2.0	-100.49	307.58	5.60	-94.89
CC1=CSC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000408243	0	37	-2.0	-104.70	327.16	6.78	-97.92
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CSC=C2C)C=C1C(=O)[O-]	REAL300000408244	0	32	-2.0	-108.84	318.03	5.27	-103.57
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000408245	1	31	-2.0	-96.27	297.77	5.28	-90.99
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000408246	0	33	-2.0	-99.28	320.97	6.83	-92.45
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000408247	1	31	-2.0	-106.30	297.25	5.48	-100.82
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000408248	0	30	-2.0	-113.32	301.46	6.50	-106.82
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000408249	0	28	-2.0	-110.70	281.35	4.65	-106.05
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000408250	0	31	-2.0	-98.73	298.88	5.20	-93.53
CC1=CSC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000408251	0	34	-2.0	-115.59	318.76	6.76	-108.83
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CSC=C1C	REAL300000408252	0	32	-2.0	-98.97	305.92	4.45	-94.52
CC1=CSC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000408253	0	25	-2.0	-95.07	277.82	3.62	-91.45
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000408254	1	32	-2.0	-102.39	321.49	5.19	-97.20
CC1=CSC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000408255	0	31	-2.0	-97.91	321.05	1.67	-96.24
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000408256	0	35	-2.0	-101.53	323.84	6.52	-95.01
CC1=CSC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000408257	0	35	-2.0	-103.52	321.80	6.50	-97.02
CCC1=C(S(=O)(=O)[N-]C2=CSC=C2C)C=C(C(=O)[O-])O1	REAL300000408258	0	31	-2.0	-101.33	299.84	4.62	-96.71
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000408259	0	38	-2.0	-109.33	352.48	6.62	-102.71
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=CC=C1	REAL300000408260	0	38	-2.0	-99.39	346.59	6.56	-92.83
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000408261	0	38	-2.0	-112.26	347.93	6.59	-105.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C2=CC=CC=C2)N=C1	REAL300000408262	0	42	-2.0	-117.67	374.68	6.35	-111.32
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=NN1C1=CC=CC=C1	REAL300000408263	0	42	-2.0	-99.02	379.39	7.88	-91.14
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000408264	0	41	-2.0	-113.00	364.16	7.12	-105.88
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=NN1C1=CC=CC=C1	REAL300000408265	0	38	-2.0	-108.21	361.02	7.16	-101.05
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000408266	0	38	-2.0	-107.65	360.46	6.97	-100.68
CC1=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000408267	0	44	-2.0	-115.80	380.60	7.93	-107.87
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=NN1C1=CC=CC=C1	REAL300000408268	0	38	-2.0	-109.70	353.40	6.65	-103.05
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=NN1C1=CC=CC=C1	REAL300000408269	0	44	-2.0	-98.41	391.51	8.17	-90.24
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C1=CC=CC=C1	REAL300000408270	0	35	-2.0	-106.42	341.12	5.61	-100.81
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NN1C1=CC=CC=C1	REAL300000408271	0	41	-2.0	-113.77	363.37	7.37	-106.40
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=NN1C1=CC=CC=C1	REAL300000408272	0	42	-2.0	-97.74	379.01	6.86	-90.88
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000408273	0	39	-2.0	-110.57	354.58	5.94	-104.63
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=NN1C1=CC=CC=C1	REAL300000408274	0	42	-2.0	-114.41	371.72	5.42	-108.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC=C3)N=C2)=C1	REAL300000408275	0	38	-2.0	-102.21	357.05	6.26	-95.95
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000408276	0	44	-2.0	-116.30	383.42	8.00	-108.30
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000408277	0	35	-2.0	-107.70	338.26	5.59	-102.11
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000408278	0	42	-2.0	-118.08	375.22	6.66	-111.42
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=NN1C1=CC=CC=C1	REAL300000408279	0	47	-2.0	-115.84	401.84	8.60	-107.24
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C2=CC=CC=C2)N=C1	REAL300000408280	0	44	-2.0	-111.94	378.06	8.31	-103.63
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=NN1C1=CC=CC=C1	REAL300000408281	0	45	-2.0	-117.26	390.78	8.45	-108.81
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000408282	0	38	-2.0	-105.90	349.58	5.70	-100.20
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=NN1C1=CC=CC=C1	REAL300000408283	0	42	-2.0	-112.27	376.86	5.68	-106.59
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=NN1C1=CC=CC=C1	REAL300000408284	0	41	-2.0	-104.00	368.64	7.40	-96.60
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000408285	0	38	-2.0	-109.85	357.63	6.47	-103.38
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=NN1C1=CC=CC=C1	REAL300000408286	0	38	-2.0	-96.96	359.58	7.11	-89.85
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=NN1C1=CC=CC=C1	REAL300000408287	0	38	-2.0	-98.89	352.47	6.63	-92.26
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1=CC=CC=C1	REAL300000408288	0	35	-2.0	-101.07	340.21	5.71	-95.36
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000408289	0	38	-2.0	-102.84	353.01	6.61	-96.23
CC1=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000408290	0	41	-2.0	-111.14	373.69	7.28	-103.86
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=NN1C1=CC=CC=C1	REAL300000408291	0	38	-2.0	-98.76	351.99	6.62	-92.14
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=NN1C1=CC=CC=C1	REAL300000408292	0	38	-2.0	-96.99	360.44	6.98	-90.01
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000408293	0	38	-2.0	-100.71	357.43	6.64	-94.07
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=NN1C1=CC=CC=C1	REAL300000408294	0	39	-2.0	-112.82	357.66	4.31	-108.51
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1C1=CC=CC=C1	REAL300000408295	0	41	-2.0	-103.37	370.11	7.36	-96.01
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NN1C1=CC=CC=C1	REAL300000408296	0	41	-2.0	-107.71	356.57	7.18	-100.53
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)C=NN1C1=CC=CC=C1	REAL300000408297	0	41	-2.0	-110.88	371.44	7.20	-103.68
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NN1C1=CC=CC=C1	REAL300000408298	0	41	-2.0	-99.78	363.35	7.36	-92.42
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)C=NN1C1=CC=CC=C1	REAL300000408299	0	44	-2.0	-114.75	379.48	7.61	-107.14
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=NN1C1=CC=CC=C1	REAL300000408300	0	38	-2.0	-101.10	359.67	6.71	-94.39
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=NN1C1=CC=CC=C1	REAL300000408301	0	44	-2.0	-111.91	381.47	7.99	-103.92
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000408302	0	41	-2.0	-112.05	373.45	7.30	-104.75
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=NN1C1=CC=CC=C1	REAL300000408303	0	41	-2.0	-116.02	372.99	7.27	-108.75
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000408304	0	44	-2.0	-113.69	382.23	7.77	-105.92
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000408305	0	42	-2.0	-111.89	375.96	6.81	-105.08
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C1=CC=CC=C1	REAL300000408306	0	41	-2.0	-99.65	363.65	7.14	-92.51
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=NN1C1=CC=CC=C1	REAL300000408307	0	41	-2.0	-111.30	367.47	7.42	-103.88
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=NN1C1=CC=CC=C1	REAL300000408308	0	38	-2.0	-115.19	351.57	6.60	-108.59
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000408309	0	41	-2.0	-103.33	367.77	7.12	-96.21
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1C1=CC=CC=C1	REAL300000408310	0	37	-2.0	-109.76	344.93	4.66	-105.10
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)N(C2=CC=CC=C2)N=C1	REAL300000408311	0	42	-2.0	-103.77	376.14	6.39	-97.38
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000408312	0	35	-2.0	-99.71	346.69	5.53	-94.18
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=NN1C1=CC=CC=C1	REAL300000408313	0	45	-2.0	-106.03	392.73	8.43	-97.60
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=NN1C1=CC=CC=C1	REAL300000408314	0	45	-2.0	-108.86	392.05	8.43	-100.43
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000408315	0	41	-2.0	-106.29	370.06	6.58	-99.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=CC=C1F	REAL300000408316	0	31	-2.0	-115.70	316.53	5.14	-110.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1	REAL300000408317	0	31	-2.0	-106.18	311.99	5.12	-101.06
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1	REAL300000408318	0	31	-2.0	-118.52	311.99	5.11	-113.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1	REAL300000408319	0	35	-2.0	-124.73	340.14	4.92	-119.81
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1	REAL300000408320	0	35	-2.0	-105.89	343.45	6.40	-99.49
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000408321	0	34	-2.0	-121.01	332.07	5.75	-115.26
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1	REAL300000408322	0	31	-2.0	-114.52	325.07	5.67	-108.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=CC=C1Cl	REAL300000408323	0	31	-2.0	-114.22	324.50	5.50	-108.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1C	REAL300000408324	0	37	-2.0	-122.15	344.67	6.45	-115.70
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1	REAL300000408325	0	31	-2.0	-116.52	317.47	5.17	-111.35
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1	REAL300000408326	0	37	-2.0	-105.25	355.58	6.70	-98.55
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1	REAL300000408327	0	28	-2.0	-112.86	305.19	4.13	-108.73
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1	REAL300000408328	0	34	-2.0	-119.92	327.43	5.88	-114.04
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1	REAL300000408329	0	35	-2.0	-104.53	343.07	5.39	-99.14
CN1C=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000408330	0	32	-2.0	-116.96	318.65	4.45	-112.51
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1	REAL300000408331	0	35	-2.0	-120.20	336.21	3.92	-116.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1	REAL300000408332	0	31	-2.0	-109.44	321.11	4.79	-104.65
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000408333	0	37	-2.0	-121.31	343.45	6.42	-114.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=CS1	REAL300000408334	0	28	-2.0	-114.26	303.64	4.14	-110.12
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000408335	0	35	-2.0	-124.36	339.27	5.18	-119.18
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1	REAL300000408336	0	40	-2.0	-122.25	365.89	7.11	-115.14
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1	REAL300000408337	0	37	-2.0	-118.23	342.13	6.82	-111.41
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1	REAL300000408338	0	38	-2.0	-124.99	362.43	5.68	-119.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300000408339	0	33	-3.0	-194.55	340.39	5.67	-188.88
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1	REAL300000408340	0	38	-2.0	-124.34	356.24	6.99	-117.35
CC1=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000408341	0	31	-2.0	-112.66	315.00	4.25	-108.41
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1	REAL300000408342	0	35	-2.0	-119.87	340.92	4.21	-115.66
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=CC=C1OCC(=O)[O-]	REAL300000408343	0	38	-2.0	-104.98	363.16	6.10	-98.88
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1	REAL300000408344	0	34	-2.0	-110.30	332.71	5.92	-104.38
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1F	REAL300000408345	0	35	-2.0	-103.94	349.29	5.46	-98.48
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000408346	0	38	-2.0	-126.29	361.13	6.08	-120.21
CC1=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000408347	0	31	-2.0	-116.04	321.69	4.99	-111.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C(Cl)=C1	REAL300000408348	0	31	-2.0	-103.57	325.05	5.66	-97.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1F	REAL300000408349	0	31	-2.0	-105.62	316.51	5.15	-100.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)S1	REAL300000408350	0	28	-2.0	-108.22	304.25	4.24	-103.98
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1	REAL300000408351	0	31	-2.0	-110.26	318.40	5.17	-105.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1F	REAL300000408352	0	34	-2.0	-117.96	337.76	5.81	-112.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C(F)=C1	REAL300000408353	0	31	-2.0	-105.67	317.46	5.18	-100.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1Cl	REAL300000408354	0	31	-2.0	-103.70	324.48	5.51	-98.19
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1	REAL300000408355	0	34	-2.0	-112.03	341.44	6.31	-105.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=CC(F)=C1F	REAL300000408356	0	31	-2.0	-107.23	322.81	5.20	-102.03
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1	REAL300000408357	0	33	-2.0	-104.17	340.19	5.78	-98.39
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1	REAL300000408358	0	32	-2.0	-119.02	321.71	2.82	-116.20
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1	REAL300000408359	0	34	-2.0	-110.39	334.18	5.89	-104.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1	REAL300000408360	0	34	-2.0	-115.09	322.07	5.74	-109.35
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=CC(C(=O)[O-])=C1F	REAL300000408361	0	34	-2.0	-117.14	336.83	5.76	-111.38
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1	REAL300000408362	0	34	-2.0	-106.28	327.41	5.87	-100.41
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=CC(C(=O)[O-])=C1C	REAL300000408363	0	37	-2.0	-121.70	345.46	6.19	-115.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=CC=C1[N+](=O)[O-]	REAL300000408364	0	33	-2.0	-116.13	338.55	6.20	-109.93
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1	REAL300000408365	0	31	-2.0	-107.95	323.73	5.23	-102.72
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C(C)=C1C(=O)[O-]	REAL300000408366	0	37	-2.0	-119.30	346.48	6.49	-112.81
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000408367	0	34	-2.0	-117.66	333.47	5.71	-111.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1Cl	REAL300000408368	0	34	-2.0	-116.38	343.76	6.24	-110.14
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1	REAL300000408369	0	34	-2.0	-124.06	337.03	5.80	-118.26
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000408370	0	37	-2.0	-120.54	345.93	6.29	-114.25
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1CC(=O)[O-]	REAL300000408371	0	38	-2.0	-121.58	362.46	5.24	-116.34
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1	REAL300000408372	0	34	-2.0	-108.32	338.26	6.29	-102.03
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000408373	0	34	-2.0	-116.04	343.22	6.07	-109.97
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000408374	0	35	-2.0	-119.19	340.03	5.33	-113.86
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000408375	0	34	-2.0	-111.87	341.85	6.07	-105.80
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000408376	0	34	-2.0	-106.27	328.00	5.65	-100.62
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1	REAL300000408377	0	34	-2.0	-117.33	331.54	5.95	-111.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1[N+](=O)[O-]	REAL300000408378	0	33	-2.0	-126.32	335.74	6.96	-119.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1F	REAL300000408379	0	31	-2.0	-123.21	315.66	5.14	-118.07
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000408380	0	34	-2.0	-110.21	333.15	5.68	-104.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=CC2=CC=CC=C21	REAL300000408381	0	37	-2.0	-128.23	353.04	7.24	-120.99
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C1	REAL300000408382	0	30	-2.0	-116.81	308.98	3.16	-113.65
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1	REAL300000408383	0	35	-2.0	-110.64	340.20	4.92	-105.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)=C(Cl)O1	REAL300000408384	0	28	-2.0	-106.45	312.14	4.08	-102.37
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN(CC(F)(F)F)C=C3)C=C2)CC1	REAL300000408385	0	38	-2.0	-112.93	358.12	7.00	-105.93
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN(CC(F)(F)F)C=C3)C=C2C1	REAL300000408386	0	38	-2.0	-115.97	357.43	7.00	-108.97
CCC1=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000408387	0	34	-2.0	-112.55	334.13	5.10	-107.45
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1F	REAL300000408388	0	38	-2.0	-113.05	359.35	6.79	-106.26
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=CC=C1F	REAL300000408389	0	38	-2.0	-103.67	354.74	6.75	-96.92
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1F	REAL300000408390	0	38	-2.0	-115.70	354.82	6.76	-108.94
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1F	REAL300000408391	0	41	-2.0	-116.80	370.00	7.25	-109.55
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=NN1C1=CC=CC=C1F	REAL300000408392	0	38	-2.0	-113.62	360.31	6.81	-106.81
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C1=CC=CC=C1F	REAL300000408393	0	35	-2.0	-110.88	347.86	5.78	-105.10
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NN1C1=CC=CC=C1F	REAL300000408394	0	41	-2.0	-118.57	370.12	7.54	-111.03
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1F	REAL300000408395	0	39	-2.0	-115.06	361.32	6.11	-108.95
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC=C3F)N=C2)=C1	REAL300000408396	0	38	-2.0	-106.21	363.87	6.43	-99.78
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1F	REAL300000408397	0	35	-2.0	-112.37	346.33	5.79	-106.58
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC=C3F)N=C2)C=C(C(=O)[O-])O1	REAL300000408398	0	38	-2.0	-110.94	357.76	5.90	-105.04
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC=C3F)N=C2)C=C(C(=O)[O-])S1	REAL300000408399	0	38	-2.0	-114.72	363.30	6.65	-108.07
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=NN1C1=CC=CC=C1F	REAL300000408400	0	38	-2.0	-102.92	359.21	6.78	-96.14
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1=CC=CC=C1F	REAL300000408401	0	35	-2.0	-105.12	346.93	5.87	-99.25
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1F	REAL300000408402	0	38	-2.0	-106.57	361.09	6.81	-99.76
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=NN1C1=CC=CC=C1F	REAL300000408403	0	38	-2.0	-103.06	360.30	6.83	-96.23
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=NN1C1=CC=CC=C1F	REAL300000408404	0	39	-2.0	-117.72	364.39	4.47	-113.25
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1C1=CC=CC=C1F	REAL300000408405	0	41	-2.0	-107.62	376.94	7.53	-100.09
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NN1C1=CC=CC=C1F	REAL300000408406	0	41	-2.0	-112.22	364.67	7.37	-104.85
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NN1C1=CC=CC=C1F	REAL300000408407	0	41	-2.0	-104.01	370.17	7.53	-96.48
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000408408	0	42	-2.0	-116.40	382.72	6.98	-109.42
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C1=CC=CC=C1F	REAL300000408409	0	41	-2.0	-103.74	370.52	7.28	-96.46
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=NN1C1=CC=CC=C1F	REAL300000408410	0	38	-2.0	-118.86	358.40	6.77	-112.09
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1C1=CC=CC=C1F	REAL300000408411	0	37	-2.0	-113.45	350.89	4.88	-108.57
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1F	REAL300000408412	0	35	-2.0	-104.25	354.86	5.73	-98.52
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC=C3F)N=C2)C=C(C(=O)[O-])O1	REAL300000408413	0	41	-2.0	-110.85	376.88	6.75	-104.10
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=C1	REAL300000408423	0	33	-2.0	-106.25	315.96	6.27	-99.98
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=CC(Cl)=C1	REAL300000408430	0	38	-2.0	-96.46	363.25	7.06	-89.40
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC(Cl)=C1	REAL300000408431	0	38	-2.0	-108.77	363.35	7.05	-101.72
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C1=CC=CC(Cl)=C1	REAL300000408432	0	35	-2.0	-103.14	356.50	6.09	-97.05
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC(Cl)=C1	REAL300000408433	0	39	-2.0	-108.71	371.32	6.46	-102.25
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C1=CC=CC(Cl)=C1	REAL300000408434	0	35	-2.0	-104.51	354.92	6.10	-98.41
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC(Cl)=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000408435	0	38	-2.0	-102.98	366.28	6.21	-96.77
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1=CC=CC(Cl)=C1	REAL300000408436	0	35	-2.0	-98.01	355.53	6.18	-91.83
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1C1=CC=CC(Cl)=C1	REAL300000408437	0	37	-2.0	-106.12	359.55	5.19	-100.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=CC=C1F	REAL300000408438	1	34	-2.0	-103.62	329.54	5.09	-98.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C=C1	REAL300000408439	1	34	-2.0	-93.60	324.98	5.07	-88.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=C1	REAL300000408440	1	34	-2.0	-105.26	325.00	5.06	-100.20
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=NN2C(F)F	REAL300000408441	0	38	-2.0	-113.31	356.62	5.00	-108.31
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C=C1	REAL300000408442	1	38	-2.0	-93.38	356.44	6.35	-87.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C=C1C(=O)[O-]	REAL300000408443	1	37	-2.0	-107.06	341.01	5.59	-101.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=C1C	REAL300000408444	1	40	-2.0	-110.83	360.87	6.52	-104.31
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=C1	REAL300000408445	0	34	-2.0	-105.01	333.95	5.26	-99.75
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C=C1	REAL300000408446	1	40	-2.0	-92.53	368.56	6.65	-85.88
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=C1	REAL300000408447	0	31	-2.0	-101.76	321.66	4.21	-97.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=NN2C(F)F	REAL300000408448	1	37	-2.0	-108.96	343.91	5.99	-102.97
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C=C1C(=O)[O-]	REAL300000408450	0	35	-2.0	-103.85	331.64	4.41	-99.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=C1	REAL300000408452	0	34	-2.0	-97.95	337.59	4.88	-93.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=CS1	REAL300000408454	0	31	-2.0	-101.23	316.64	4.10	-97.13
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=NN2C(F)F	REAL300000408456	1	40	-2.0	-107.54	358.62	6.92	-100.62
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C=C(C(=O)[O-])O1	REAL300000408457	0	34	-2.0	-101.92	331.48	4.34	-97.58
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=C1	REAL300000408458	0	38	-2.0	-107.87	357.39	4.30	-103.57
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=NN2C(F)F	REAL300000408459	1	37	-2.0	-99.47	349.18	6.02	-93.45
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C=C(C(=O)[O-])S1	REAL300000408460	0	34	-2.0	-105.17	338.17	5.09	-100.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C=C1F	REAL300000408461	1	34	-2.0	-93.22	329.52	5.10	-88.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)S1	REAL300000408462	0	31	-2.0	-96.77	320.74	4.33	-92.44
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=C1	REAL300000408463	1	34	-2.0	-96.40	331.43	5.12	-91.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=C1F	REAL300000408464	0	37	-2.0	-106.35	354.23	5.90	-100.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C(F)=C1	REAL300000408465	0	34	-2.0	-94.45	333.94	5.27	-89.18
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=C1	REAL300000408466	0	35	-2.0	-108.15	338.19	2.91	-105.24
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3C(=C2)C=NN3C(F)F)=C1	REAL300000408466	1	35	-2.0	-105.93	327.20	3.79	-102.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C=C1	REAL300000408467	1	37	-2.0	-97.08	347.16	5.84	-91.24
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=NN2C(F)F	REAL300000408468	1	37	-2.0	-103.20	338.55	5.84	-97.36
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=CC(C(=O)[O-])=C1F	REAL300000408469	1	37	-2.0	-104.29	349.83	5.71	-98.58
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=CC(C(=O)[O-])=C1C	REAL300000408471	1	40	-2.0	-109.58	362.49	6.26	-103.32
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C=C1C(=O)[O-]	REAL300000408473	0	37	-2.0	-107.28	353.79	5.90	-101.38
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=C1	REAL300000408474	0	37	-2.0	-111.63	353.51	5.89	-105.74
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C=C1C(=O)[O-]	REAL300000408475	1	40	-2.0	-107.78	358.96	6.24	-101.54
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C=C1C(=O)[O-]	REAL300000408476	0	38	-2.0	-105.08	352.94	5.27	-99.81
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=CC=C1C(=O)[O-]	REAL300000408477	1	37	-2.0	-93.72	341.00	5.60	-88.12
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=NN2C(F)F	REAL300000408478	1	37	-2.0	-106.70	348.01	6.04	-100.66
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=C1F	REAL300000408479	0	34	-2.0	-110.83	332.14	5.23	-105.60
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C=C1C(=O)[O-]	REAL300000408480	1	37	-2.0	-98.67	349.97	5.74	-92.93
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=C1	REAL300000408481	0	33	-2.0	-105.19	325.47	3.26	-101.93
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=NN2C(F)F	REAL300000408482	0	38	-2.0	-99.37	356.67	5.00	-94.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)=C(Cl)O1	REAL300000408483	0	31	-2.0	-95.54	328.63	4.17	-91.37
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=NN3C(F)F)C=C(C(=O)[O-])O1	REAL300000408484	0	37	-2.0	-101.88	350.60	5.19	-96.69
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C	REAL300000408485	0	47	-2.0	-91.28	412.42	4.19	-87.09
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000408486	0	40	-2.0	-107.61	360.50	5.64	-101.97
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1C	REAL300000408487	0	48	-2.0	-108.85	415.58	6.70	-102.15
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000408488	0	40	-2.0	-97.53	355.94	5.62	-91.91
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000408489	0	40	-2.0	-109.87	355.96	5.61	-104.26
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1C	REAL300000408490	0	44	-2.0	-116.10	384.10	5.41	-110.69
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C	REAL300000408491	0	44	-2.0	-97.18	387.41	6.90	-90.28
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000408492	0	43	-2.0	-111.32	371.98	6.13	-105.19
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C	REAL300000408493	0	40	-2.0	-106.10	369.04	6.16	-99.94
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000408494	0	40	-2.0	-106.07	368.48	5.99	-100.08
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C	REAL300000408495	0	46	-2.0	-113.68	388.62	6.95	-106.73
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000408496	0	40	-2.0	-107.66	361.43	5.67	-101.99
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300000408497	0	46	-2.0	-96.60	399.53	7.19	-89.41
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000408498	0	37	-2.0	-104.21	349.15	4.63	-99.58
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000408499	0	43	-2.0	-111.55	371.39	6.39	-105.16
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C	REAL300000408500	0	44	-2.0	-95.89	387.03	5.88	-90.01
CCCCN1N=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000408501	0	41	-2.0	-108.29	362.59	4.96	-103.33
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1C	REAL300000408502	0	44	-2.0	-112.29	379.74	4.44	-107.85
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000408503	0	40	-2.0	-100.42	365.07	5.28	-95.14
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1C	REAL300000408504	0	46	-2.0	-114.09	391.41	7.03	-107.06
CCCCN1N=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000408505	0	37	-2.0	-105.75	347.60	4.64	-101.11
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1C	REAL300000408506	0	48	-2.0	-110.16	414.28	5.43	-104.73
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1C	REAL300000408507	0	44	-2.0	-115.73	383.25	5.67	-110.06
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C	REAL300000408508	0	50	-2.0	-115.39	411.19	8.24	-107.15
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C	REAL300000408509	0	49	-2.0	-113.78	409.86	7.62	-106.16
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1C	REAL300000408510	0	46	-2.0	-109.90	386.08	7.32	-102.58
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1C	REAL300000408511	0	47	-2.0	-115.90	406.39	6.18	-109.72
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000408512	0	42	-3.0	-184.53	384.35	6.18	-178.35
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C	REAL300000408513	0	47	-2.0	-115.76	400.21	7.50	-108.26
CCCCN1N=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000408514	0	40	-2.0	-104.33	358.97	4.75	-99.58
CCCCN1N=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C	REAL300000408515	0	46	-2.0	-114.91	398.14	5.38	-109.53
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C	REAL300000408516	0	44	-2.0	-110.82	384.93	4.70	-106.12
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1C	REAL300000408517	0	48	-2.0	-96.37	408.87	6.21	-90.16
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1C	REAL300000408518	0	40	-2.0	-102.81	373.55	6.18	-96.63
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1C	REAL300000408519	0	47	-2.0	-96.32	407.11	6.59	-89.73
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C	REAL300000408520	0	43	-2.0	-101.98	376.67	6.42	-95.56
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C	REAL300000408521	0	44	-2.0	-95.29	393.24	5.94	-89.35
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)=C1C	REAL300000408522	0	47	-2.0	-116.33	405.09	6.59	-109.74
CCCCN1N=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000408523	0	40	-2.0	-107.77	365.66	5.49	-102.28
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000408524	0	40	-2.0	-95.05	369.01	6.17	-88.88
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000408525	0	40	-2.0	-97.04	360.50	5.64	-91.40
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000408526	0	37	-2.0	-99.19	348.22	4.73	-94.46
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000408527	0	40	-2.0	-101.00	362.37	5.66	-95.34
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C	REAL300000408528	0	43	-2.0	-109.08	381.71	6.30	-102.78
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000408529	0	40	-2.0	-96.80	361.42	5.68	-91.12
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000408530	0	40	-2.0	-95.16	368.46	6.00	-89.16
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1C	REAL300000408531	0	43	-2.0	-103.77	385.41	6.81	-96.96
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C	REAL300000408532	0	48	-2.0	-93.99	419.70	7.01	-86.98
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000408533	0	40	-2.0	-98.93	366.77	5.69	-93.24
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C	REAL300000408534	0	42	-2.0	-94.84	384.14	6.27	-88.57
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000408535	0	41	-2.0	-110.73	365.67	3.31	-107.42
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000408536	0	43	-2.0	-101.44	378.13	6.38	-95.06
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000408537	0	40	-2.0	-100.38	376.66	6.13	-94.25
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000408538	0	43	-2.0	-105.64	366.00	6.24	-99.40
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000408539	0	43	-2.0	-109.02	380.78	6.25	-102.77
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1C	REAL300000408540	0	43	-2.0	-97.85	371.37	6.38	-91.47
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000408541	0	46	-2.0	-113.28	388.84	6.67	-106.61
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300000408542	0	42	-2.0	-108.17	382.51	6.69	-101.48
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C	REAL300000408543	0	40	-2.0	-99.12	367.70	5.73	-93.39
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C	REAL300000408544	0	46	-2.0	-110.01	389.48	7.01	-103.00
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C	REAL300000408545	0	43	-2.0	-109.95	381.27	6.30	-103.65
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1C	REAL300000408546	0	43	-2.0	-107.86	387.74	6.73	-101.13
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C	REAL300000408547	0	43	-2.0	-114.11	380.99	6.30	-107.81
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1C	REAL300000408548	0	46	-2.0	-112.05	390.28	6.79	-105.26
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1C	REAL300000408549	0	47	-2.0	-111.44	406.44	5.73	-105.71
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1C	REAL300000408550	0	43	-2.0	-99.04	382.22	6.79	-92.25
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000408551	0	43	-2.0	-107.80	387.17	6.55	-101.25
CCCCN1N=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1C	REAL300000408552	0	44	-2.0	-109.54	383.98	5.83	-103.71
CCCCN1N=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1C	REAL300000408553	0	52	-2.0	-109.44	421.11	8.48	-100.96
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000408554	0	43	-2.0	-103.22	385.81	6.57	-96.65
CCCCN1N=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1C	REAL300000408555	0	49	-2.0	-107.28	405.40	7.73	-99.55
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000408556	0	43	-2.0	-97.67	371.97	6.14	-91.53
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1C	REAL300000408557	0	45	-2.0	-101.28	396.68	7.77	-93.51
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1C	REAL300000408558	0	43	-2.0	-109.18	375.49	6.44	-102.74
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C	REAL300000408559	0	42	-2.0	-116.36	379.69	7.46	-108.90
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000408560	0	40	-2.0	-113.33	359.62	5.63	-107.70
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000408561	0	43	-2.0	-101.49	377.12	6.17	-95.32
CCCCN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300000408562	0	46	-2.0	-118.28	397.00	7.74	-110.54
CCCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000408563	0	39	-2.0	-107.89	352.95	3.66	-104.23
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1C	REAL300000408564	0	44	-2.0	-101.83	384.17	5.40	-96.43
CCCCN1N=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C	REAL300000408565	0	37	-2.0	-97.98	356.11	4.59	-93.39
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C	REAL300000408566	0	47	-2.0	-104.32	402.09	7.48	-96.84
CCCCN1N=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C	REAL300000408567	0	47	-2.0	-106.01	400.04	7.48	-98.53
CCCCN1N=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1C	REAL300000408568	0	43	-2.0	-104.24	378.08	5.60	-98.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC3=CC=NC=C3)C=C2)C=C1	REAL300000408569	1	38	-2.0	-92.43	361.42	7.35	-85.08
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC3=CC=NC=C3)C=C2)=C1	REAL300000408570	1	38	-2.0	-104.54	361.46	7.33	-97.21
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CC1=C(S(=O)(=O)[N-]C2=CC=C(SC3=CC=NC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000408574	0	38	-2.0	-98.69	364.45	6.47	-92.22
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CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1=CC(C)=CC=C1C	REAL300000408585	0	41	-2.0	-101.79	379.35	7.26	-94.53
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CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C1=CC(C)=CC=C1C	REAL300000408589	0	47	-2.0	-100.29	403.15	8.67	-91.62
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CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1C	REAL300000408592	0	31	-2.0	-116.08	296.60	4.24	-111.84
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CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=NN1C	REAL300000408594	0	31	-2.0	-113.78	308.47	4.93	-108.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C)=C1	REAL300000408595	0	35	-2.0	-124.99	320.20	4.02	-120.97
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=NN1C	REAL300000408596	0	31	-2.0	-114.29	308.31	4.70	-109.59
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1C	REAL300000408597	0	35	-2.0	-105.70	323.52	5.50	-100.20
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1C	REAL300000408598	0	34	-2.0	-120.31	308.07	4.74	-115.57
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CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN1C	REAL300000408600	0	31	-2.0	-114.64	304.57	4.60	-110.04
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CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1C	REAL300000408603	0	31	-2.0	-116.43	297.53	4.27	-112.16
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1C	REAL300000408604	0	37	-2.0	-105.05	335.63	5.80	-99.25
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1C	REAL300000408605	0	28	-2.0	-113.10	285.25	3.23	-109.87
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CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NN1C	REAL300000408607	0	35	-2.0	-104.34	323.13	4.49	-99.85
CC1=CC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=NN1C	REAL300000408608	0	42	-2.0	-100.89	368.89	5.28	-95.61
CC1=CC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=NN1C	REAL300000408609	0	28	-2.0	-109.84	302.24	3.99	-105.85
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NN1C	REAL300000408610	0	35	-2.0	-120.30	316.26	3.02	-117.28
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)=NN1C	REAL300000408611	0	31	-2.0	-114.56	316.97	4.85	-109.71
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1C	REAL300000408612	0	31	-2.0	-108.87	301.17	3.89	-104.98
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=NN1C	REAL300000408613	0	37	-2.0	-121.39	323.50	5.52	-115.87
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1C	REAL300000408614	0	28	-2.0	-114.57	283.71	3.23	-111.34
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000408615	0	39	-2.0	-119.08	350.39	4.02	-115.06
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C)=C2)C=C1C(=O)[O-]	REAL300000408616	0	35	-2.0	-124.93	319.35	4.28	-120.65
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=NN1C	REAL300000408617	0	41	-2.0	-124.22	347.29	6.84	-117.38
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=NN1C	REAL300000408618	0	40	-2.0	-122.50	345.95	6.22	-116.28
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C)=C1	REAL300000408619	0	37	-2.0	-118.20	322.20	5.93	-112.27
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C)=C1	REAL300000408620	0	38	-2.0	-125.74	342.49	4.78	-120.96
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=NN1C	REAL300000408621	0	33	-3.0	-194.21	320.46	4.77	-189.44
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=NN1C	REAL300000408622	0	38	-2.0	-124.48	336.30	6.10	-118.38
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=NN1C	REAL300000408623	0	37	-2.0	-123.82	334.23	3.98	-119.84
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=NN1C	REAL300000408624	0	35	-2.0	-119.87	321.04	3.30	-116.57
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=NN1C	REAL300000408625	0	39	-2.0	-105.96	345.69	4.83	-101.13
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=NN1C	REAL300000408626	0	31	-2.0	-108.20	319.74	5.06	-103.14
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=NN1C	REAL300000408627	0	31	-2.0	-110.82	309.65	4.79	-106.03
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=NN1C	REAL300000408628	0	35	-2.0	-102.62	339.16	5.03	-97.59
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=NN1C	REAL300000408629	0	38	-2.0	-104.85	343.21	5.20	-99.65
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=NN1C	REAL300000408630	0	41	-2.0	-103.31	371.81	5.46	-97.85
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NN1C	REAL300000408631	0	34	-2.0	-110.13	312.77	5.03	-105.10
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=NN1C	REAL300000408632	0	44	-2.0	-104.96	385.67	6.13	-98.83
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=NN1C	REAL300000408633	0	35	-2.0	-103.52	329.36	4.56	-98.96
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)=NN1C	REAL300000408634	0	41	-2.0	-103.09	381.61	5.95	-97.14
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C)=C2)C=C1C(=O)[O-]	REAL300000408635	0	38	-2.0	-125.63	341.20	5.19	-120.44
CC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1C	REAL300000408636	0	31	-2.0	-116.17	300.68	4.10	-112.07
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=NN1C	REAL300000408637	0	31	-2.0	-108.04	320.28	5.22	-102.82
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NN1C	REAL300000408638	0	31	-2.0	-103.23	305.10	4.76	-98.47
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=NN1C	REAL300000408639	0	31	-2.0	-102.61	308.45	4.91	-97.70
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1C	REAL300000408640	0	31	-2.0	-105.06	296.59	4.25	-100.81
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1C	REAL300000408641	0	28	-2.0	-107.69	284.31	3.34	-104.35
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1C	REAL300000408642	0	31	-2.0	-109.49	298.46	4.28	-105.21
CC1=CC([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)=NN1C	REAL300000408643	0	34	-2.0	-117.88	317.82	4.91	-112.97
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000408644	0	35	-2.0	-107.75	332.37	4.83	-102.92
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1C	REAL300000408645	0	31	-2.0	-105.29	297.52	4.28	-101.01
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1C	REAL300000408646	0	31	-2.0	-103.30	304.56	4.61	-98.69
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=NN1C	REAL300000408647	0	34	-2.0	-111.90	321.50	5.41	-106.49
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)=NN1C	REAL300000408648	0	34	-2.0	-108.36	322.88	5.50	-102.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=NN1C	REAL300000408649	0	39	-2.0	-102.34	355.80	5.62	-96.72
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=NN1C	REAL300000408650	0	31	-2.0	-102.87	308.30	4.71	-98.16
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NN1C	REAL300000408651	0	31	-2.0	-107.25	302.88	4.30	-102.95
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=NN1C	REAL300000408652	0	33	-2.0	-103.39	320.25	4.88	-98.51
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1C	REAL300000408653	0	32	-2.0	-118.84	301.77	1.94	-116.90
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=NN1C	REAL300000408654	0	34	-2.0	-112.77	325.94	5.27	-107.50
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1C	REAL300000408655	0	34	-2.0	-109.99	314.23	4.99	-105.00
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=NN1C	REAL300000408656	0	31	-2.0	-108.86	312.77	4.74	-104.12
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1C	REAL300000408657	0	34	-2.0	-114.82	302.13	4.84	-109.98
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)=NN1C	REAL300000408658	0	34	-2.0	-112.46	325.53	5.50	-106.96
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)=NN1C	REAL300000408659	0	34	-2.0	-117.45	316.89	4.86	-112.59
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1C	REAL300000408660	0	34	-2.0	-105.92	307.47	4.98	-100.94
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=NN1C	REAL300000408661	0	37	-2.0	-122.31	324.94	5.28	-117.03
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=NN1C	REAL300000408662	0	33	-2.0	-116.40	318.63	5.31	-111.09
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NN1C	REAL300000408663	0	31	-2.0	-107.70	303.79	4.34	-103.36
CC1=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=NN1C	REAL300000408664	0	28	-2.0	-105.37	304.63	3.89	-101.48
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1C	REAL300000408665	0	37	-2.0	-119.06	326.54	5.58	-113.48
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=NN1C	REAL300000408666	0	34	-2.0	-117.78	313.55	4.81	-112.97
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)=NN1C	REAL300000408667	0	34	-2.0	-116.36	323.82	5.34	-111.02
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=NN1C	REAL300000408668	0	34	-2.0	-123.77	317.07	4.90	-118.87
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C)=C2)C=C1C(=O)[O-]	REAL300000408669	0	37	-2.0	-121.06	326.34	5.40	-115.66
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)=NN1C	REAL300000408670	0	31	-2.0	-110.23	313.00	4.95	-105.28
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C)=C2)C=C1CC(=O)[O-]	REAL300000408671	0	38	-2.0	-121.53	342.53	4.34	-117.19
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=NN1C	REAL300000408672	0	34	-2.0	-107.88	318.32	5.39	-102.49
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=NN1C	REAL300000408673	0	34	-2.0	-102.20	322.19	5.02	-97.18
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)=NN1C	REAL300000408674	0	34	-2.0	-116.47	323.28	5.18	-111.29
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=NN1C	REAL300000408675	0	31	-2.0	-111.44	313.35	4.82	-106.62
CC1=CC([N-]S(=O)(=O)C2=C(Br)C(C)=CC(C(=O)[O-])=C2)=NN1C	REAL300000408676	0	34	-2.0	-115.86	326.63	5.48	-110.38
CCN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C)=C2)C=C1C(=O)[O-]	REAL300000408677	0	35	-2.0	-118.68	320.08	4.42	-114.26
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=NN1C	REAL300000408678	0	43	-2.0	-119.59	357.21	7.09	-112.50
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)=NN1C	REAL300000408679	0	31	-2.0	-105.90	314.16	4.97	-100.93
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=NN1C	REAL300000408680	0	31	-2.0	-106.13	317.66	4.77	-101.36
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=NN1C	REAL300000408681	0	35	-2.0	-104.89	336.76	4.51	-100.38
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=NN1C	REAL300000408682	0	34	-2.0	-112.25	321.92	5.18	-107.07
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=NN1C	REAL300000408683	0	40	-2.0	-115.71	341.49	6.30	-109.41
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C)C(C)=C2)C=C1C(=O)[O-]	REAL300000408684	0	35	-2.0	-120.12	332.38	4.83	-115.29
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1C	REAL300000408685	0	34	-2.0	-106.06	308.08	4.75	-101.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=NN1C	REAL300000408686	0	36	-2.0	-111.60	335.32	6.40	-105.20
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NN1C	REAL300000408687	0	34	-2.0	-117.31	311.60	5.05	-112.26
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=NN1C	REAL300000408688	0	33	-2.0	-125.91	315.80	6.07	-119.84
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1C	REAL300000408689	0	31	-2.0	-122.96	295.72	4.25	-118.71
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NN1C	REAL300000408690	0	34	-2.0	-110.49	313.22	4.78	-105.71
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=NN1C	REAL300000408691	0	37	-2.0	-127.52	333.10	6.33	-121.19
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C)=C1	REAL300000408692	0	35	-2.0	-110.49	320.26	4.02	-106.47
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1C	REAL300000408693	0	28	-2.0	-106.05	292.20	3.18	-102.87
CC1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=NN1C	REAL300000408694	0	35	-2.0	-113.92	335.84	4.76	-109.16
CC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=NN1C	REAL300000408695	0	34	-2.0	-109.63	335.39	1.25	-108.38
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=NN1C	REAL300000408696	0	38	-2.0	-112.90	338.18	6.10	-106.80
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=NN1C	REAL300000408697	0	38	-2.0	-116.70	337.49	6.10	-110.60
CCC1=C(S(=O)(=O)[N-]C2=NN(C)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000408698	0	34	-2.0	-112.25	314.18	4.20	-108.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=CC=C1F	REAL300000408699	1	35	-2.0	-109.18	326.19	4.54	-104.64
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(O)C=C21	REAL300000408700	0	43	-2.0	-109.76	381.28	5.60	-104.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1	REAL300000408701	1	35	-2.0	-99.62	321.63	4.51	-95.11
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408702	1	35	-2.0	-113.10	321.66	4.50	-108.60
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(O)C=C21	REAL300000408703	0	39	-2.0	-117.20	349.80	4.30	-112.90
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1	REAL300000408704	1	39	-2.0	-98.64	353.12	5.80	-92.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1C(=O)[O-]	REAL300000408705	1	38	-2.0	-114.45	337.68	5.04	-109.41
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408706	0	35	-2.0	-107.79	334.73	5.07	-102.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=CC=C1Cl	REAL300000408707	1	35	-2.0	-107.68	334.16	4.90	-102.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1C	REAL300000408708	1	41	-2.0	-115.17	354.05	5.82	-109.35
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408709	0	35	-2.0	-110.07	327.13	4.57	-105.50
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1	REAL300000408710	1	41	-2.0	-98.02	365.22	6.10	-91.92
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408711	0	32	-2.0	-106.29	314.84	3.52	-102.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(O)C=C21	REAL300000408712	1	38	-2.0	-113.21	337.09	5.29	-107.92
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1	REAL300000408713	1	39	-2.0	-97.40	352.72	4.79	-92.61
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1C(=O)[O-]	REAL300000408714	0	36	-2.0	-111.19	328.31	3.86	-107.33
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(O)C=C21	REAL300000408715	1	39	-2.0	-112.33	345.86	3.32	-109.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408716	0	35	-2.0	-102.57	330.77	4.18	-98.39
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1C(=O)[O-]	REAL300000408717	1	41	-2.0	-113.45	353.10	5.83	-107.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=CS1	REAL300000408718	0	32	-2.0	-108.57	313.31	3.54	-105.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1C(=O)[O-]	REAL300000408719	1	39	-2.0	-118.92	348.95	4.57	-114.35
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408720	1	45	-2.0	-117.41	376.90	7.13	-110.28
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(O)C=C21	REAL300000408721	1	44	-2.0	-114.32	375.56	6.51	-107.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(O)C=C21	REAL300000408722	1	41	-2.0	-111.01	349.82	6.14	-104.87
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(O)C=C21	REAL300000408723	0	42	-2.0	-118.08	372.09	5.07	-113.01
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=CC=C(O)C=C32)=CC(C(=O)[O-])=C1	REAL300000408724	0	38	-2.0	-112.19	349.04	4.99	-107.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=CC(C(=O)[O-])=C1	REAL300000408724	1	37	-3.0	-190.28	350.06	5.07	-185.21
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408725	1	42	-2.0	-117.86	365.90	6.40	-111.46
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C(C(=O)[O-])O1	REAL300000408726	0	35	-2.0	-105.36	324.66	3.64	-101.72
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408727	0	39	-2.0	-113.51	350.57	3.59	-109.92
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CC=C(O)C=C43)C=C2C1	REAL300000408728	1	43	-2.0	-97.83	374.58	5.10	-92.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C(Cl)C=C1F	REAL300000408729	0	35	-2.0	-103.49	339.25	5.09	-98.40
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=CC=C1OCC(=O)[O-]	REAL300000408730	1	42	-2.0	-98.01	372.81	5.49	-92.52
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(O)C=C21	REAL300000408731	1	38	-2.0	-103.92	341.96	5.35	-98.57
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1F	REAL300000408732	1	39	-2.0	-96.83	358.95	4.85	-91.98
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1C(=O)[O-]	REAL300000408733	1	42	-2.0	-119.60	370.79	5.48	-114.12
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C(C(=O)[O-])S1	REAL300000408734	0	35	-2.0	-109.41	331.35	4.39	-105.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C(Cl)=C1	REAL300000408735	0	35	-2.0	-96.83	334.71	5.07	-91.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1F	REAL300000408736	1	35	-2.0	-99.01	326.17	4.55	-94.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)S1	REAL300000408737	0	32	-2.0	-101.36	313.92	3.63	-97.73
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408738	0	35	-2.0	-103.64	328.06	4.57	-99.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1F	REAL300000408739	0	38	-2.0	-111.02	347.42	5.21	-105.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C(F)=C1	REAL300000408740	0	35	-2.0	-99.43	327.12	4.58	-94.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1Cl	REAL300000408741	1	35	-2.0	-97.12	334.14	4.91	-92.21
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(O)C=C21	REAL300000408742	1	38	-2.0	-105.61	350.69	5.73	-99.88
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1	REAL300000408743	0	43	-2.0	-95.20	385.40	5.92	-89.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=CC(F)=C1F	REAL300000408744	1	35	-2.0	-101.42	332.48	4.60	-96.82
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408745	0	37	-2.0	-96.94	349.84	5.18	-91.76
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408746	0	36	-2.0	-110.98	331.37	2.22	-108.76
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408746	1	36	-2.0	-112.73	325.93	2.52	-110.21
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1	REAL300000408747	1	38	-2.0	-103.06	343.82	5.29	-97.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=CC(Cl)=C1F	REAL300000408748	1	35	-2.0	-102.98	342.36	5.04	-97.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(O)C=C21	REAL300000408749	1	38	-2.0	-109.25	331.70	5.14	-104.11
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=CC(C(=O)[O-])=C1F	REAL300000408750	1	38	-2.0	-110.60	346.50	5.16	-105.44
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(O)C=C21	REAL300000408751	1	38	-2.0	-99.25	337.07	5.28	-93.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=CC(C(=O)[O-])=C1C	REAL300000408752	1	41	-2.0	-116.49	354.54	5.57	-110.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=CC=C1[N+](=O)[O-]	REAL300000408753	0	37	-2.0	-109.63	348.21	5.59	-104.04
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408754	0	35	-2.0	-101.17	333.39	4.63	-96.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C(C)=C1C(=O)[O-]	REAL300000408755	1	41	-2.0	-113.50	356.13	5.90	-107.60
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1C(=O)[O-]	REAL300000408756	0	38	-2.0	-112.52	346.97	5.19	-107.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1Cl	REAL300000408757	0	38	-2.0	-108.91	353.42	5.64	-103.27
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408758	0	38	-2.0	-117.46	346.69	5.20	-112.26
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1C(=O)[O-]	REAL300000408759	1	41	-2.0	-114.09	355.98	5.70	-108.39
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1CC(=O)[O-]	REAL300000408760	1	42	-2.0	-114.74	372.12	4.64	-110.10
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(O)C=C21	REAL300000408761	1	38	-2.0	-101.39	347.92	5.68	-95.71
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=CC(C(=O)[O-])=C1Cl	REAL300000408762	1	38	-2.0	-109.51	352.89	5.46	-104.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1C(=O)[O-]	REAL300000408763	0	39	-2.0	-111.66	349.68	4.72	-106.94
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C(C)=C1CC(=O)[O-]	REAL300000408764	1	47	-2.0	-110.88	386.57	7.35	-103.53
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1C(=O)[O-]	REAL300000408765	1	38	-2.0	-107.32	355.43	5.58	-101.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=CC=C1C(=O)[O-]	REAL300000408766	1	38	-2.0	-99.79	337.66	5.05	-94.74
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(O)C=C21	REAL300000408767	1	38	-2.0	-110.63	341.19	5.34	-105.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1[N+](=O)[O-]	REAL300000408768	0	37	-2.0	-121.03	345.40	6.37	-114.66
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1F	REAL300000408769	0	35	-2.0	-116.59	325.28	4.53	-112.06
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C1C(=O)[O-]	REAL300000408770	1	38	-2.0	-105.50	346.61	5.17	-100.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=CC2=CC=CC=C21	REAL300000408771	1	41	-2.0	-120.48	362.70	6.63	-113.85
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C1	REAL300000408772	0	34	-2.0	-109.49	318.64	2.56	-106.93
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(O)C=C21	REAL300000408773	0	39	-2.0	-103.71	349.86	4.30	-99.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)=C(Cl)O1	REAL300000408774	0	32	-2.0	-99.51	321.76	3.49	-96.02
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CC=C(O)C=C43)C=C2)CC1	REAL300000408775	1	42	-2.0	-105.69	367.78	6.39	-99.30
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CC=C(O)C=C43)C=C2C1	REAL300000408776	1	42	-2.0	-109.26	365.74	6.38	-102.88
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(O)C=C32)C=C(C(=O)[O-])O1	REAL300000408777	0	38	-2.0	-104.83	343.77	4.49	-100.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)=CC=C1F	REAL300000408778	1	39	-2.0	-105.94	350.55	3.91	-102.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)=CC=C1	REAL300000408780	1	39	-2.0	-109.28	346.01	3.88	-105.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CNC(=O)C2)=C1	REAL300000408781	0	43	-2.0	-114.93	374.15	3.68	-111.25
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)C=C1	REAL300000408782	1	43	-2.0	-96.10	377.48	5.18	-90.92
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)=C1	REAL300000408784	0	39	-2.0	-104.98	359.08	4.46	-100.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)=CC=C1Cl	REAL300000408785	1	39	-2.0	-104.27	358.53	4.28	-99.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)=C1C	REAL300000408786	1	45	-2.0	-112.72	378.69	5.23	-107.49
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)=C1	REAL300000408787	0	39	-2.0	-106.54	351.49	3.95	-102.59
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)C=C1	REAL300000408788	1	45	-2.0	-95.47	389.60	5.46	-90.01
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)=C1	REAL300000408789	0	36	-2.0	-103.49	339.20	2.91	-100.58
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CNC(=O)C2)=C1	REAL300000408790	1	42	-2.0	-110.62	361.45	4.66	-105.96
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)C=C1C(=O)[O-]	REAL300000408792	1	40	-2.0	-107.62	352.66	3.23	-104.39
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)=C1	REAL300000408794	0	39	-2.0	-99.35	355.12	3.55	-95.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)=CS1	REAL300000408796	0	36	-2.0	-104.25	337.66	2.92	-101.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CNC(=O)C2)=C1	REAL300000408798	1	45	-2.0	-109.03	376.15	5.60	-103.43
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)C=C(C(=O)[O-])O1	REAL300000408799	0	39	-2.0	-103.52	349.02	3.02	-100.50
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)=C1	REAL300000408800	0	43	-2.0	-109.35	375.00	2.96	-106.39
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CNC(=O)C2)=C1	REAL300000408801	1	42	-2.0	-101.04	366.72	4.70	-96.34
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)C=C(C(=O)[O-])S1	REAL300000408802	1	39	-2.0	-106.99	354.61	3.76	-103.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)C(Cl)=C1	REAL300000408803	0	39	-2.0	-94.01	359.06	4.44	-89.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)C=C1F	REAL300000408804	1	39	-2.0	-96.08	350.55	3.92	-92.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)S1	REAL300000408805	0	36	-2.0	-98.14	338.28	3.01	-95.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)=CC(F)=C1	REAL300000408806	1	39	-2.0	-100.10	352.42	3.94	-96.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)=C1F	REAL300000408807	0	42	-2.0	-107.96	371.78	4.58	-103.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)C(F)=C1	REAL300000408808	0	39	-2.0	-95.78	351.48	3.95	-91.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)C=C1Cl	REAL300000408809	1	39	-2.0	-94.10	358.52	4.29	-89.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)=CC(F)=C1F	REAL300000408810	1	39	-2.0	-97.63	356.84	3.97	-93.66
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)=C1	REAL300000408811	0	40	-2.0	-109.45	355.73	1.60	-107.85
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(C3CNC(=O)C3)=CC=C2)=C1	REAL300000408811	1	40	-2.0	-109.08	354.89	2.39	-106.69
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)C=C1	REAL300000408812	1	42	-2.0	-100.21	368.20	4.66	-95.55
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2CNC(=O)C2)=C1	REAL300000408813	1	42	-2.0	-104.45	356.08	4.52	-99.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)=CC(C(=O)[O-])=C1F	REAL300000408814	1	42	-2.0	-108.16	370.86	4.54	-103.62
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)=C1	REAL300000408817	0	39	-2.0	-98.04	357.77	4.01	-94.03
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)C=C1C(=O)[O-]	REAL300000408819	0	42	-2.0	-108.88	371.33	4.57	-104.31
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)=C1	REAL300000408820	0	42	-2.0	-112.90	371.05	4.58	-108.32
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)C=C1C(=O)[O-]	REAL300000408821	1	45	-2.0	-110.17	380.24	5.07	-105.10
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)C=C1C(=O)[O-]	REAL300000408822	1	43	-2.0	-108.26	374.02	4.09	-104.17
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)=CC=C1	REAL300000408825	0	39	-2.0	-112.11	349.63	3.91	-108.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)C=C1C(=O)[O-]	REAL300000408826	1	42	-2.0	-101.16	370.95	4.56	-96.60
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)=C1	REAL300000408827	0	38	-2.0	-106.89	342.24	2.01	-104.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2CNC(=O)C2)=C1	REAL300000408828	0	43	-2.0	-100.89	374.22	3.68	-97.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CNC(=O)C3)=CC=C2)=C(Cl)O1	REAL300000408829	0	36	-2.0	-97.06	346.16	2.86	-94.20
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CNC(=O)C3)=C2)C=C(C(=O)[O-])O1	REAL300000408830	0	42	-2.0	-103.47	368.14	3.86	-99.61
CC(=O)NC1CC2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1	REAL300000408847	0	43	-2.0	-119.72	372.18	4.59	-115.13
COC1=CC(OC2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000408857	0	43	-2.0	-98.28	383.59	7.20	-91.08
COC1=CC(OC2=CC=CC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000408858	0	43	-2.0	-110.98	383.62	7.20	-103.78
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1	REAL300000408859	0	35	-2.0	-86.66	347.13	1.96	-84.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=CC=C1F	REAL300000408860	0	28	-2.0	-102.27	295.21	3.41	-98.86
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)(F)F)=C1	REAL300000408861	0	36	-2.0	-103.86	350.29	4.48	-99.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1	REAL300000408862	0	28	-2.0	-92.38	290.66	3.38	-89.00
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1	REAL300000408863	0	28	-2.0	-104.61	290.68	3.37	-101.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)(F)F)=C1	REAL300000408864	0	32	-2.0	-110.08	318.82	3.19	-106.89
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1	REAL300000408865	0	32	-2.0	-92.52	322.12	4.67	-87.85
CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000408866	0	31	-2.0	-105.55	306.69	3.91	-101.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1C	REAL300000408867	0	34	-2.0	-107.62	323.79	4.69	-102.93
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1	REAL300000408868	0	28	-2.0	-101.87	296.15	3.44	-98.43
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1	REAL300000408869	0	34	-2.0	-91.71	334.24	4.97	-86.74
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1	REAL300000408870	0	25	-2.0	-98.86	283.86	2.40	-96.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)(F)F)=C1	REAL300000408871	0	31	-2.0	-105.83	306.11	4.15	-101.68
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1	REAL300000408872	0	32	-2.0	-91.19	321.74	3.66	-87.53
CN1C=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000408873	0	29	-2.0	-103.01	297.32	2.72	-100.29
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)(F)F)=C1	REAL300000408874	0	32	-2.0	-106.55	314.46	2.21	-104.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1	REAL300000408875	0	28	-2.0	-95.04	299.78	3.06	-91.98
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000408876	0	34	-2.0	-106.96	322.12	4.68	-102.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=CS1	REAL300000408877	0	25	-2.0	-100.33	282.32	2.41	-97.92
COC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000408878	0	36	-2.0	-104.73	348.98	3.18	-101.55
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000408879	0	32	-2.0	-110.33	317.97	3.44	-106.89
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1	REAL300000408880	0	38	-2.0	-109.42	345.91	6.00	-103.42
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)(F)F)=C1	REAL300000408881	0	37	-2.0	-107.91	344.57	5.38	-102.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)(F)F)=C1	REAL300000408882	0	34	-2.0	-104.42	320.80	5.09	-99.33
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)(F)F)=C1	REAL300000408883	0	35	-2.0	-110.40	341.11	3.94	-106.46
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1	REAL300000408884	0	30	-3.0	-177.57	319.08	3.94	-173.63
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1	REAL300000408885	0	35	-2.0	-109.75	334.92	5.26	-104.49
CC1=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000408886	0	28	-2.0	-98.83	293.68	2.52	-96.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=CC2=C1OCCO2	REAL300000408887	0	34	-2.0	-109.15	332.84	3.15	-106.00
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1	REAL300000408888	0	32	-2.0	-105.12	319.59	2.48	-102.64
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NNC(C(F)(F)F)=C3)C=C2C1	REAL300000408889	0	36	-2.0	-92.30	344.31	4.00	-88.30
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1Cl	REAL300000408890	0	32	-2.0	-89.82	337.77	4.20	-85.62
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=CC=C1OCC(=O)[O-]	REAL300000408891	0	35	-2.0	-91.61	341.83	4.37	-87.24
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)(F)F)=C1	REAL300000408892	0	31	-2.0	-96.49	311.38	4.19	-92.30
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1F	REAL300000408893	0	32	-2.0	-90.79	327.97	3.72	-87.07
CCOC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000408894	0	35	-2.0	-110.95	339.81	4.35	-106.60
CC1=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000408895	0	28	-2.0	-102.20	300.37	3.26	-98.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C(Cl)=C1	REAL300000408896	0	28	-2.0	-90.07	303.72	3.93	-86.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1F	REAL300000408897	0	28	-2.0	-91.99	295.21	3.42	-88.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)S1	REAL300000408898	0	25	-2.0	-93.88	282.93	2.50	-91.38
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1	REAL300000408899	0	28	-2.0	-95.52	297.08	3.44	-92.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1F	REAL300000408900	0	31	-2.0	-103.07	316.43	4.08	-98.99
COC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000408901	0	32	-2.0	-94.63	330.99	3.99	-90.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C(F)=C1	REAL300000408902	0	28	-2.0	-91.50	296.14	3.45	-88.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1Cl	REAL300000408903	0	28	-2.0	-89.98	303.18	3.78	-86.20
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)(F)F)=C1	REAL300000408904	0	31	-2.0	-98.16	320.12	4.57	-93.59
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1	REAL300000408905	0	36	-2.0	-89.45	354.42	4.79	-84.66
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1	REAL300000408906	0	30	-2.0	-89.71	318.87	4.04	-85.67
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1	REAL300000408907	0	29	-2.0	-104.88	300.39	1.10	-103.78
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1	REAL300000408908	0	31	-2.0	-96.02	312.84	4.16	-91.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=CC(Cl)=C1F	REAL300000408909	0	28	-2.0	-95.31	311.38	3.91	-91.40
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NNC(C(F)(F)F)=C1	REAL300000408910	0	31	-2.0	-100.45	300.72	4.01	-96.44
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000408911	0	31	-2.0	-103.34	315.51	4.03	-99.31
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C(F)(F)F)=C1	REAL300000408912	0	31	-2.0	-92.76	306.09	4.15	-88.61
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000408913	0	34	-2.0	-108.64	327.47	4.54	-104.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=CC=C1[N+](=O)[O-]	REAL300000408914	0	30	-2.0	-103.16	317.23	4.47	-98.69
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1	REAL300000408915	0	28	-2.0	-93.47	302.41	3.50	-89.97
CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000408916	0	34	-2.0	-104.89	324.06	4.78	-100.11
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000408917	0	31	-2.0	-102.80	312.17	3.97	-98.83
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1Cl	REAL300000408918	0	31	-2.0	-102.11	322.44	4.50	-97.61
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1	REAL300000408919	0	31	-2.0	-108.68	315.71	4.07	-104.61
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000408920	0	34	-2.0	-106.18	324.64	4.56	-101.62
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1CC(=O)[O-]	REAL300000408921	0	35	-2.0	-106.66	341.15	3.51	-103.15
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NNC(C(F)(F)F)=C1	REAL300000408922	0	31	-2.0	-93.94	316.94	4.56	-89.38
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000408923	0	31	-2.0	-102.07	321.90	4.33	-97.74
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000408924	0	32	-2.0	-104.15	318.69	3.60	-100.55
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C(C)=C1CC(=O)[O-]	REAL300000408925	0	40	-2.0	-104.68	355.82	6.25	-98.43
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000408926	0	31	-2.0	-97.78	320.54	4.34	-93.44
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000408927	0	32	-2.0	-105.99	331.00	3.99	-102.00
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000408928	0	31	-2.0	-93.99	310.74	4.02	-89.97
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C([N+](=O)[O-])=C1	REAL300000408929	0	33	-2.0	-97.32	333.94	5.56	-91.76
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)(F)F)=C1	REAL300000408930	0	31	-2.0	-103.63	310.21	4.21	-99.42
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1[N+](=O)[O-]	REAL300000408931	0	30	-2.0	-111.21	314.41	5.24	-105.97
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1F	REAL300000408932	0	28	-2.0	-108.19	294.34	3.41	-104.78
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000408933	0	31	-2.0	-96.13	311.84	3.95	-92.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=CC2=CC=CC=C21	REAL300000408934	0	34	-2.0	-112.42	331.72	5.50	-106.92
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C1	REAL300000408935	0	27	-2.0	-101.88	287.67	1.43	-100.45
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C(F)(F)F)=C1	REAL300000408936	0	32	-2.0	-96.59	318.88	3.18	-93.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)=C(Cl)O1	REAL300000408937	0	25	-2.0	-92.61	290.82	2.35	-90.26
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NNC(C(F)(F)F)=C3)C=C2)CC1	REAL300000408938	0	35	-2.0	-99.10	336.80	5.26	-93.84
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NNC(C(F)(F)F)=C3)C=C2C1	REAL300000408939	0	35	-2.0	-101.99	336.11	5.26	-96.73
CCC1=C(S(=O)(=O)[N-]C2=NNC(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000408940	0	31	-2.0	-98.83	312.81	3.37	-95.46
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Br)=C1	REAL300000408943	1	25	-2.0	-91.53	291.87	4.85	-86.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Br)S1	REAL300000408947	1	25	-2.0	-86.85	290.95	4.94	-81.91
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2Br)=C1	REAL300000408948	0	27	-2.0	-94.40	295.69	3.88	-90.52
COC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(OC)=C1	REAL300000408972	0	42	-2.0	-111.03	380.76	5.73	-105.30
COC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(OC)=C1	REAL300000408991	0	40	-2.0	-110.15	350.30	3.84	-106.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=CC=C1F	REAL300000409020	1	40	-2.0	-106.65	359.07	7.51	-99.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C1	REAL300000409021	1	40	-2.0	-96.04	359.02	7.50	-88.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=C1	REAL300000409022	1	40	-2.0	-109.32	354.54	7.48	-101.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC1=CC=CC=C1	REAL300000409023	0	44	-2.0	-114.67	382.68	7.28	-107.39
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C1	REAL300000409024	1	44	-2.0	-95.75	386.01	8.78	-86.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000409025	1	43	-2.0	-111.71	374.21	8.11	-103.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=C1C	REAL300000409026	1	46	-2.0	-111.60	387.66	8.81	-102.79
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=C1	REAL300000409027	0	40	-2.0	-106.60	360.01	7.54	-99.06
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C1	REAL300000409028	1	46	-2.0	-95.02	398.12	9.06	-85.96
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=C1	REAL300000409029	0	37	-2.0	-103.56	347.72	6.49	-97.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC1=CC=CC=C1	REAL300000409030	1	43	-2.0	-110.10	369.97	8.26	-101.84
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C1	REAL300000409031	1	44	-2.0	-94.44	385.62	7.77	-86.67
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000409032	0	41	-2.0	-106.63	365.69	6.84	-99.79
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC1=CC=CC=C1	REAL300000409033	1	44	-2.0	-110.35	378.74	6.29	-104.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=C1	REAL300000409034	0	40	-2.0	-99.51	363.69	7.16	-92.35
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000409035	1	46	-2.0	-111.22	385.63	8.80	-102.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=CS1	REAL300000409036	0	37	-2.0	-104.97	346.19	6.51	-98.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000409037	1	44	-2.0	-115.14	381.82	7.55	-107.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC1=CC=CC=C1	REAL300000409038	1	46	-2.0	-107.71	383.35	9.22	-98.49
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000409039	0	40	-2.0	-103.00	357.54	6.62	-96.38
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=C1	REAL300000409040	0	44	-2.0	-109.93	383.52	6.57	-103.36
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300000409041	0	40	-2.0	-106.58	363.16	7.37	-99.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C1F	REAL300000409042	1	40	-2.0	-95.83	359.05	7.52	-88.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)S1	REAL300000409043	0	37	-2.0	-98.23	346.79	6.60	-91.63
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=C1	REAL300000409044	1	40	-2.0	-100.10	360.96	7.55	-92.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C(F)=C1	REAL300000409045	0	40	-2.0	-95.95	360.02	7.55	-88.40
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=C1	REAL300000409046	0	41	-2.0	-109.01	364.25	5.19	-103.82
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2NC2=CC=CC=C2)=C1	REAL300000409046	1	41	-2.0	-105.34	360.21	5.97	-99.37
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C1	REAL300000409047	1	43	-2.0	-100.01	376.72	8.26	-91.75
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NC1=CC=CC=C1	REAL300000409048	1	43	-2.0	-105.13	364.21	8.11	-97.02
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NC1=CC=CC=C1	REAL300000409049	1	43	-2.0	-96.41	369.97	8.25	-88.16
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=CC(C(=O)[O-])=C1C	REAL300000409050	1	46	-2.0	-112.51	387.50	8.56	-103.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C(C)=C1C(=O)[O-]	REAL300000409051	1	46	-2.0	-109.37	389.12	8.87	-100.50
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000409052	1	46	-2.0	-111.49	392.46	8.68	-102.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000409053	0	44	-2.0	-108.82	382.56	7.69	-101.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000409054	1	43	-2.0	-97.96	374.19	8.12	-89.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=C1F	REAL300000409055	0	40	-2.0	-112.06	362.75	7.52	-104.54
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=C1	REAL300000409056	0	39	-2.0	-107.09	350.76	5.59	-101.50
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NC1=CC=CC=C1	REAL300000409057	0	44	-2.0	-100.49	382.76	7.28	-93.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)=C(Cl)O1	REAL300000409058	0	37	-2.0	-96.89	354.64	6.45	-90.44
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000409059	0	43	-2.0	-102.27	376.68	7.47	-94.80
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C#N	REAL300000409060	1	40	-2.0	-90.02	373.74	4.67	-85.35
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C#N	REAL300000409061	1	40	-2.0	-101.99	372.93	4.60	-97.39
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C#N	REAL300000409062	0	37	-2.0	-96.50	366.94	3.68	-92.82
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C#N	REAL300000409063	0	41	-2.0	-100.55	379.57	3.95	-96.60
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C#N	REAL300000409064	0	37	-2.0	-97.42	364.58	3.64	-93.78
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C#N	REAL300000409065	0	40	-2.0	-96.86	375.93	3.74	-93.12
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C#N	REAL300000409066	0	37	-2.0	-91.40	366.04	3.79	-87.61
CCOC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C#N	REAL300000409067	0	39	-2.0	-99.12	369.90	2.66	-96.46
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1	REAL300000409068	0	36	-2.0	-83.75	339.31	0.85	-82.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC=C1F	REAL300000409069	0	29	-2.0	-100.53	287.38	2.29	-98.24
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1O	REAL300000409070	0	37	-2.0	-100.12	342.47	3.35	-96.77
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409071	0	29	-2.0	-97.63	299.28	2.98	-94.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1	REAL300000409072	0	29	-2.0	-89.92	282.84	2.27	-87.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409073	0	29	-2.0	-100.94	282.85	2.26	-98.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1O	REAL300000409074	0	33	-2.0	-106.10	311.00	2.06	-104.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC=C1Br	REAL300000409075	0	29	-2.0	-98.15	299.09	2.75	-95.40
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1	REAL300000409076	0	33	-2.0	-89.61	314.30	3.56	-86.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1C(=O)[O-]	REAL300000409077	0	32	-2.0	-101.78	298.87	2.78	-99.00
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409078	0	29	-2.0	-98.19	295.93	2.82	-95.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC=C1Cl	REAL300000409079	0	29	-2.0	-98.67	295.36	2.65	-96.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C(Cl)C=C1Cl	REAL300000409080	0	29	-2.0	-93.90	308.42	3.21	-90.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1C	REAL300000409081	0	35	-2.0	-105.43	315.96	3.59	-101.84
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409082	0	29	-2.0	-99.52	288.32	2.31	-97.21
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1	REAL300000409083	0	35	-2.0	-88.90	326.42	3.84	-85.06
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409084	0	26	-2.0	-97.00	276.04	1.28	-95.72
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1O	REAL300000409085	0	32	-2.0	-103.61	298.28	3.03	-100.58
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1	REAL300000409086	0	33	-2.0	-88.39	313.92	2.55	-85.84
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3O)C=C2)C1	REAL300000409087	0	40	-2.0	-85.11	359.69	3.32	-81.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C(Br)S1	REAL300000409088	0	26	-2.0	-93.95	293.07	2.04	-91.91
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1C(=O)[O-]	REAL300000409089	0	30	-2.0	-100.87	289.50	1.61	-99.26
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1O	REAL300000409090	1	33	-2.0	-104.33	306.63	1.10	-103.23
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409091	0	29	-2.0	-92.25	291.96	1.94	-90.31
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1C(=O)[O-]	REAL300000409092	0	35	-2.0	-106.16	318.30	3.67	-102.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CS1	REAL300000409093	0	26	-2.0	-97.04	274.50	1.29	-95.75
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC(C(=O)[O-])=C1OC	REAL300000409094	0	37	-2.0	-103.11	341.16	2.07	-101.04
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1C(=O)[O-]	REAL300000409095	0	33	-2.0	-108.48	310.14	2.33	-106.15
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409096	0	39	-2.0	-107.26	338.08	4.89	-102.37
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1O	REAL300000409097	0	38	-2.0	-105.71	336.75	4.26	-101.45
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1O	REAL300000409098	0	35	-2.0	-102.12	312.97	3.98	-98.14
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1O	REAL300000409099	0	36	-2.0	-106.37	333.28	2.82	-103.55
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409100	0	31	-3.0	-175.48	311.26	2.83	-172.65
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C=C2O)=C1	REAL300000409100	1	32	-2.0	-104.57	311.26	2.78	-101.79
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409101	0	36	-2.0	-105.67	327.09	4.16	-101.51
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C(C(=O)[O-])O1	REAL300000409102	0	29	-2.0	-95.52	285.86	1.40	-94.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC2=C1OCCO2	REAL300000409103	0	35	-2.0	-105.73	325.03	2.03	-103.70
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409104	0	33	-2.0	-101.65	311.77	1.35	-100.30
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3O)C=C2C1	REAL300000409105	0	37	-2.0	-89.27	335.77	2.86	-86.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC(Cl)=C1Cl	REAL300000409106	0	29	-2.0	-92.43	310.53	3.11	-89.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C(Cl)C=C1F	REAL300000409107	0	29	-2.0	-95.18	300.44	2.86	-92.32
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1Cl	REAL300000409108	0	33	-2.0	-86.97	329.96	3.08	-83.89
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC=C1OCC(=O)[O-]	REAL300000409109	0	36	-2.0	-88.76	334.01	3.24	-85.52
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1F	REAL300000409110	0	39	-2.0	-88.24	362.60	3.50	-84.74
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1O	REAL300000409111	0	32	-2.0	-94.30	303.56	3.07	-91.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC=C1OCCCC(=O)[O-]	REAL300000409112	0	42	-2.0	-89.04	376.46	4.17	-84.87
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1F	REAL300000409113	0	33	-2.0	-87.91	320.15	2.60	-85.31
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1C(=O)[O-]	REAL300000409114	0	36	-2.0	-107.28	332.00	3.24	-104.04
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C(C(=O)[O-])S1	REAL300000409115	0	29	-2.0	-100.20	292.54	2.14	-98.06
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409116	0	29	-2.0	-92.00	311.08	3.28	-88.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C(Cl)=C1	REAL300000409117	0	29	-2.0	-87.57	295.90	2.83	-84.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C(Br)=C1	REAL300000409118	0	29	-2.0	-87.12	299.25	2.97	-84.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1F	REAL300000409119	0	29	-2.0	-89.47	287.39	2.29	-87.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)S1	REAL300000409120	0	26	-2.0	-91.23	275.11	1.38	-89.85
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409121	0	29	-2.0	-92.34	289.27	2.32	-90.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1F	REAL300000409122	0	32	-2.0	-99.67	308.60	2.96	-96.71
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000409123	0	33	-2.0	-92.00	323.16	2.89	-89.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C(F)=C1	REAL300000409124	0	29	-2.0	-89.40	288.31	2.33	-87.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1Cl	REAL300000409125	0	29	-2.0	-87.51	295.36	2.66	-84.85
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1O	REAL300000409126	0	32	-2.0	-96.02	312.29	3.45	-92.57
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1	REAL300000409127	0	37	-2.0	-86.60	346.60	3.67	-82.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1Br	REAL300000409128	0	29	-2.0	-87.08	299.09	2.75	-84.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC(F)=C1F	REAL300000409129	0	29	-2.0	-92.12	293.67	2.35	-89.77
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409130	0	31	-2.0	-86.71	311.04	2.93	-83.78
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409131	0	30	-2.0	-102.48	292.56	-0.03	-102.51
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1	REAL300000409132	0	32	-2.0	-93.30	305.03	3.04	-90.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC(Cl)=C1F	REAL300000409133	0	29	-2.0	-93.54	303.56	2.79	-90.75
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1O	REAL300000409134	0	32	-2.0	-97.14	292.89	2.90	-94.24
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC(C(=O)[O-])=C1F	REAL300000409135	0	32	-2.0	-99.83	307.68	2.91	-96.92
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1O	REAL300000409136	0	32	-2.0	-90.45	298.26	3.03	-87.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC(C(=O)[O-])=C1C	REAL300000409137	0	35	-2.0	-103.63	315.73	3.32	-100.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC=C1[N+](=O)[O-]	REAL300000409138	0	31	-2.0	-99.71	309.43	3.35	-96.36
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409139	0	29	-2.0	-91.19	294.59	2.39	-88.80
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)S1	REAL300000409140	0	26	-2.0	-89.43	295.43	1.95	-87.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C(C)=C1C(=O)[O-]	REAL300000409141	0	35	-2.0	-101.61	316.38	3.66	-97.95
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1C(=O)[O-]	REAL300000409142	0	32	-2.0	-101.49	308.17	2.95	-98.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1Cl	REAL300000409143	0	32	-2.0	-98.43	314.63	3.41	-95.02
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409144	0	32	-2.0	-105.12	307.90	2.94	-102.18
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1C(=O)[O-]	REAL300000409145	0	35	-2.0	-102.57	316.82	3.44	-99.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1CC(=O)[O-]	REAL300000409146	0	36	-2.0	-104.83	333.32	2.38	-102.45
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1O	REAL300000409147	0	32	-2.0	-90.79	309.11	3.44	-87.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1C(F)(F)F	REAL300000409148	0	32	-2.0	-86.47	312.98	3.07	-83.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000409149	0	32	-2.0	-98.53	314.07	3.22	-95.31
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409150	0	29	-2.0	-94.08	304.15	2.86	-91.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1C(=O)[O-]	REAL300000409151	0	33	-2.0	-102.12	310.87	2.47	-99.65
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C(C)=C1CC(=O)[O-]	REAL300000409152	1	41	-2.0	-100.99	348.00	5.13	-95.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C(F)C(Cl)=C1F	REAL300000409153	0	29	-2.0	-90.21	308.46	2.82	-87.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C(OC(F)(F)F)=C1	REAL300000409154	0	33	-2.0	-88.97	327.55	2.55	-86.42
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1C(=O)[O-]	REAL300000409155	0	32	-2.0	-95.87	312.71	3.23	-92.64
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C(C(=O)[O-])S1	REAL300000409156	0	38	-2.0	-100.20	332.29	4.39	-95.81
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1C(=O)[O-]	REAL300000409157	0	33	-2.0	-102.30	323.18	2.90	-99.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC=C1C(=O)[O-]	REAL300000409158	0	32	-2.0	-91.62	302.92	2.90	-88.72
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C([N+](=O)[O-])=C1	REAL300000409159	0	34	-2.0	-93.37	326.10	4.44	-88.93
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1O	REAL300000409160	0	32	-2.0	-99.37	302.80	3.08	-96.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1[N+](=O)[O-]	REAL300000409161	0	31	-2.0	-107.06	306.58	4.10	-102.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1F	REAL300000409162	0	29	-2.0	-104.62	286.51	2.29	-102.33
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C1C(=O)[O-]	REAL300000409163	0	32	-2.0	-94.19	304.01	2.83	-91.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC2=CC=CC=C21	REAL300000409164	0	35	-2.0	-108.76	323.89	4.38	-104.38
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409165	0	28	-2.0	-98.99	279.07	0.37	-98.62
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1O	REAL300000409166	0	33	-2.0	-93.71	311.05	2.06	-91.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C(Cl)O1	REAL300000409167	0	26	-2.0	-89.78	282.96	1.23	-88.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=CC=C1OC(F)(F)F	REAL300000409168	0	33	-2.0	-98.04	326.64	2.81	-95.23
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)=C1	REAL300000409169	0	32	-2.0	-93.07	326.20	-0.71	-93.78
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3O)C=C2)CC1	REAL300000409170	0	36	-2.0	-96.77	328.98	4.15	-92.62
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3O)C=C2C1	REAL300000409171	0	36	-2.0	-98.23	326.94	4.12	-94.11
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2O)C=C(C(=O)[O-])O1	REAL300000409172	0	32	-2.0	-96.82	304.97	2.26	-94.56
CCC1(CC)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000409207	0	45	-2.0	-112.81	363.52	7.71	-105.10
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(=O)N1C	REAL300000409257	0	37	-2.0	-112.51	331.81	4.57	-107.94
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(=O)N1C	REAL300000409286	0	35	-2.0	-113.57	311.18	2.56	-111.01
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(=O)N1C	REAL300000409294	1	34	-2.0	-108.23	319.87	4.42	-103.81
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C(=O)N1C	REAL300000409306	0	34	-2.0	-106.38	333.63	4.83	-101.55
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(=O)N1C	REAL300000409319	1	31	-2.0	-106.52	308.12	3.24	-103.28
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000409332	1	31	-2.0	-101.15	322.56	6.73	-94.42
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000409334	1	28	-2.0	-98.53	310.27	5.70	-92.83
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(Cl)C=C(C)C(Cl)=C2)=C1	REAL300000409339	1	31	-2.0	-94.67	326.19	6.35	-88.32
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000409350	1	28	-2.0	-93.49	309.34	5.79	-87.70
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1Cl	REAL300000409352	1	34	-2.0	-102.64	342.83	7.37	-95.27
CC1=CC(Cl)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000409356	0	32	-2.0	-103.85	324.35	5.20	-98.65
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1Cl	REAL300000409362	1	31	-2.0	-93.03	328.81	6.80	-86.23
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C=C2Cl)=C1	REAL300000409365	1	34	-2.0	-108.47	342.12	7.35	-101.12
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000409370	1	31	-2.0	-107.62	320.71	6.70	-100.92
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000409372	0	30	-2.0	-101.67	313.29	4.78	-96.89
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000409374	1	28	-2.0	-92.20	317.18	5.64	-86.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC=C1NC(C)C	REAL300000409379	1	43	-2.0	-119.53	370.16	5.44	-114.09
CC(C)NC1=CC=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000409382	1	39	-2.0	-109.21	355.01	6.21	-103.00
CC(C)NC1=CC=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000409385	1	39	-2.0	-111.10	347.41	5.70	-105.40
CC(C)NC1=CC=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000409387	0	36	-2.0	-107.13	335.21	4.68	-102.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(F)C=CC=C2NC(C)C)=C1	REAL300000409392	0	39	-2.0	-103.13	351.07	5.34	-97.79
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC=C1NC(C)C	REAL300000409398	1	46	-2.0	-119.43	392.44	6.21	-113.22
CC(C)NC1=CC=CC(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000409399	0	42	-2.0	-110.09	375.86	6.17	-103.92
CC1=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2NC(C)C)C=C(C(=O)[O-])O1	REAL300000409401	1	39	-2.0	-107.34	344.94	4.78	-102.56
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(F)C=CC=C2NC(C)C)=C1	REAL300000409402	1	43	-2.0	-113.44	370.99	4.74	-108.70
CC(C)NC1=CC=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000409407	1	39	-2.0	-97.13	355.07	6.21	-90.92
CC(C)NC1=CC=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000409409	1	36	-2.0	-101.78	334.20	4.78	-97.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2NC(C)C)=C1F	REAL300000409411	1	42	-2.0	-112.71	367.77	6.34	-106.37
CC(C)NC1=CC=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000409412	1	39	-2.0	-99.36	347.49	5.72	-93.64
CC(C)NC1=CC=CC(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000409416	0	40	-2.0	-114.95	342.25	3.55	-111.40
CC(C)NC1=CC=CC(F)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000409422	1	41	-2.0	-110.53	368.49	6.74	-103.79
CC(C)NC1=CC=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000409423	1	39	-2.0	-102.44	353.78	5.77	-96.67
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2NC(C)C)C=C1C(=O)[O-]	REAL300000409425	1	42	-2.0	-113.54	367.18	6.34	-107.20
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC=C2NC(C)C)=C1	REAL300000409426	1	42	-2.0	-117.31	367.06	6.33	-110.98
CC(C)NC1=CC=CC(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000409432	0	41	-2.0	-118.98	365.59	7.49	-111.49
CC(C)NC1=CC=CC(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000409433	1	39	-2.0	-116.30	345.52	5.67	-110.63
CC(C)NC1=CC=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000409435	0	38	-2.0	-111.18	338.24	3.78	-107.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC=C1NC(C)C	REAL300000409436	1	43	-2.0	-104.23	370.23	5.45	-98.78
CC(C)NC1=CC=CC(F)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000409437	0	36	-2.0	-100.79	342.09	4.63	-96.16
CCC1=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2NC(C)C)C=C(C(=O)[O-])O1	REAL300000409440	1	42	-2.0	-107.04	364.07	5.63	-101.41
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409441	1	43	-2.0	-135.16	377.05	8.57	-126.59
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409442	1	40	-2.0	-133.85	361.62	7.78	-126.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CC2=CC=CC=C21	REAL300000409445	0	34	-2.0	-139.42	315.34	7.41	-132.01
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000409446	0	37	-2.0	-108.50	350.69	6.84	-101.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CC2=CC=CC=C21	REAL300000409447	0	33	-2.0	-118.66	318.69	5.76	-112.90
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409448	1	35	-2.0	-126.29	327.67	7.52	-118.77
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000409449	1	35	-2.0	-121.43	327.64	7.53	-113.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=CC2=CC=CC=C21	REAL300000409450	0	34	-2.0	-126.10	329.07	7.70	-118.40
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1F	REAL300000409451	0	37	-2.0	-130.68	350.20	7.72	-122.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1F	REAL300000409451	1	36	-3.0	-196.29	339.83	7.72	-188.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=CC2=CC=CC=C21	REAL300000409453	1	43	-2.0	-128.69	369.65	7.07	-121.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000409454	1	39	-2.0	-127.74	351.13	8.32	-119.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=CC2=CC=CC=C21	REAL300000409455	1	37	-2.0	-121.19	345.56	8.13	-113.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=CC2=CC=CC=C21	REAL300000409456	1	44	-2.0	-133.11	369.55	9.61	-123.50
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000409457	0	37	-2.0	-113.42	338.07	7.66	-105.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000409457	1	36	-3.0	-183.63	335.27	7.69	-175.94
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409458	0	42	-2.0	-140.56	364.57	6.20	-134.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1OC	REAL300000409459	1	42	-2.0	-128.20	365.56	6.32	-121.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=CC2=CC=CC=C21	REAL300000409460	1	41	-2.0	-133.16	352.35	9.03	-124.13
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409461	0	36	-2.0	-117.50	320.02	6.09	-111.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=CC2=CC=CC=C21	REAL300000409462	1	34	-2.0	-120.05	338.75	8.10	-111.95
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409463	0	37	-2.0	-143.84	338.09	7.65	-136.19
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409463	1	36	-3.0	-200.85	335.30	7.69	-193.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=CC2=CC=CC=C21	REAL300000409464	1	34	-2.0	-118.69	319.53	7.24	-111.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=CC2=CC=CC=C21	REAL300000409465	0	34	-2.0	-126.19	336.69	8.20	-117.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=CC2=CC=CC=C21	REAL300000409466	1	37	-2.0	-126.21	345.57	8.12	-118.09
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409467	1	37	-2.0	-132.17	328.24	7.78	-124.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=CC2=CC=CC=C21	REAL300000409469	0	37	-2.0	-133.22	332.73	8.50	-124.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CC2=CC=CC=C21	REAL300000409470	1	34	-2.0	-126.80	323.56	7.64	-119.16
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000409471	1	39	-2.0	-128.32	347.30	7.53	-120.79
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409472	1	40	-2.0	-132.63	343.73	8.57	-124.06
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CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409619	1	37	-2.0	-131.46	322.32	7.89	-123.57
CN1C=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000409620	0	34	-2.0	-135.49	311.68	4.67	-130.82
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COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)O1	REAL300000409628	0	37	-2.0	-121.74	346.38	5.92	-115.82
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CC1=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000409630	0	37	-2.0	-138.24	347.59	7.58	-130.66
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000409630	1	36	-3.0	-197.79	344.99	7.57	-190.22
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300000409631	1	43	-2.0	-131.28	371.68	8.40	-122.88
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409632	0	38	-2.0	-132.26	349.44	6.99	-125.27
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COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409634	0	40	-2.0	-137.48	364.99	4.71	-132.77
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000409636	1	43	-2.0	-136.85	383.79	8.57	-128.28
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409638	0	46	-2.0	-127.64	386.00	7.73	-119.91
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)SC=C1	REAL300000409639	0	34	-2.0	-132.03	317.57	6.77	-125.26
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300000409640	0	43	-2.0	-127.02	366.26	7.07	-119.95
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C	REAL300000409641	1	43	-2.0	-124.71	377.66	8.32	-116.39
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000409642	0	39	-2.0	-117.29	351.13	8.31	-108.98
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CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409644	1	38	-2.0	-127.16	343.10	8.30	-118.86
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409645	1	46	-2.0	-130.01	364.33	9.80	-120.21
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C	REAL300000409646	1	44	-2.0	-149.31	380.41	6.88	-142.43
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409647	0	38	-2.0	-132.03	344.48	7.60	-124.43
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409648	1	38	-2.0	-121.65	343.08	8.29	-113.36
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409649	1	46	-2.0	-132.64	371.61	10.35	-122.29
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CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C2O1	REAL300000409651	1	39	-2.0	-126.67	350.48	4.80	-121.87
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000409652	0	40	-2.0	-125.70	351.60	6.21	-119.49
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COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000409654	0	40	-2.0	-131.26	366.19	5.90	-125.36
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CN1	REAL300000409655	0	40	-2.0	-135.24	350.80	5.56	-129.68
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CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000409659	1	45	-2.0	-126.88	389.28	8.97	-117.91
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CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000409662	1	49	-2.0	-130.25	397.26	9.91	-120.34
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CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)O1	REAL300000409731	0	34	-2.0	-128.76	311.44	5.94	-122.82
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409732	0	37	-2.0	-130.88	339.05	7.49	-123.39
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CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000409742	0	40	-3.0	-198.89	363.33	7.91	-190.98
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CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000409798	0	36	-2.0	-126.55	323.43	5.95	-120.60
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CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C#N	REAL300000409800	1	38	-2.0	-121.22	346.80	8.02	-113.20
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COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(F)=C1	REAL300000409803	0	38	-2.0	-131.22	341.82	6.49	-124.73
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CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)N(C)N=C1	REAL300000409807	0	37	-2.0	-120.69	323.72	5.60	-115.09
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CC1=CC(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000409811	0	40	-2.0	-110.61	353.91	8.25	-102.36
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000409811	1	39	-3.0	-184.23	351.36	8.24	-175.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000409812	0	37	-2.0	-121.60	334.01	3.81	-117.79
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CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=C2O1	REAL300000409815	0	45	-2.0	-144.53	384.67	8.36	-136.17
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CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409817	1	41	-2.0	-132.88	358.18	7.34	-125.54
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CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C2C=C1	REAL300000409819	1	43	-2.0	-133.44	374.12	10.06	-123.38
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CC1=CSC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409821	0	34	-2.0	-128.65	320.40	6.79	-121.86
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CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409824	0	43	-2.0	-123.37	371.52	6.20	-117.17
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000409825	0	43	-2.0	-122.15	376.00	5.67	-116.48
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COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409828	0	39	-2.0	-138.35	347.93	6.72	-131.63
CC1=NSC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409829	0	33	-2.0	-120.91	315.33	5.42	-115.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=CC2=CC=CC=C21	REAL300000409831	1	41	-2.0	-130.41	356.06	9.22	-121.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC2=CC=CC=C21	REAL300000409832	0	31	-2.0	-134.27	305.11	6.18	-128.09
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000409833	0	37	-2.0	-125.82	345.47	5.97	-119.85
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N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1F	REAL300000409835	1	35	-2.0	-117.51	333.54	7.57	-109.94
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409837	1	34	-2.0	-154.65	312.19	3.06	-151.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NC=CN2)=CC2=CC=CC=C21	REAL300000409838	0	31	-2.0	-128.55	288.46	3.71	-124.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=CC2=CC=CC=C21	REAL300000409839	0	39	-2.0	-135.04	343.83	4.04	-131.00
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)S1	REAL300000409840	0	37	-2.0	-132.46	338.28	7.67	-124.79
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409841	0	36	-2.0	-118.37	334.39	6.50	-111.87
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409842	1	43	-2.0	-138.47	383.79	8.56	-129.91
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=NN1C	REAL300000409844	0	37	-2.0	-127.65	327.50	5.36	-122.29
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000409845	1	38	-2.0	-130.98	337.91	8.21	-122.77
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409846	0	37	-2.0	-126.18	330.22	5.48	-120.70
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COC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000409850	1	38	-2.0	-122.61	352.36	6.98	-115.63
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CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409856	0	37	-2.0	-131.31	333.95	8.61	-122.70
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CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(F)=C1	REAL300000409862	0	37	-2.0	-138.27	336.74	8.08	-130.19
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COC1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1Cl	REAL300000409868	0	37	-2.0	-117.86	350.09	4.35	-113.51
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CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300000409980	1	40	-2.0	-132.32	339.33	8.43	-123.89
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CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409982	1	45	-2.0	-141.10	391.41	9.16	-131.94
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CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409990	0	43	-2.0	-122.79	366.79	7.03	-115.76
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CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)O1	REAL300000409993	0	37	-2.0	-128.89	332.92	6.72	-122.17
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COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000409995	0	38	-2.0	-125.67	347.76	7.05	-118.62
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000409996	1	40	-2.0	-129.33	360.05	8.65	-120.68
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COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)S1	REAL300000409998	0	35	-2.0	-126.01	330.63	5.58	-120.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CC2=CC=CC=C21	REAL300000409999	0	37	-2.0	-122.65	339.50	5.83	-116.82
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000410000	1	44	-2.0	-133.79	383.75	7.81	-125.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=CC2=CC=CC=C21	REAL300000410001	0	47	-2.0	-125.37	393.24	8.08	-117.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CC2=CC=CC=C21	REAL300000410002	1	37	-2.0	-134.57	327.40	8.10	-126.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC2=CC=CC=C21	REAL300000410003	0	37	-2.0	-131.56	332.32	7.52	-124.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=CC2=CC=CC=C21	REAL300000410004	1	36	-2.0	-131.08	337.77	6.52	-124.56
CCN1N=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000410005	0	36	-2.0	-125.32	327.54	4.00	-121.32
CCN1N=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1Cl	REAL300000410006	0	37	-2.0	-123.18	348.53	6.06	-117.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC2=CC=CC=C21	REAL300000410007	0	31	-2.0	-121.68	306.58	5.74	-115.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000410008	1	43	-2.0	-141.46	365.61	9.98	-131.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=CC2=CC=CC=C21	REAL300000410010	0	34	-2.0	-122.21	334.35	7.74	-114.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=CC2=CC=CC=C21	REAL300000410012	0	38	-2.0	-130.20	350.65	8.44	-121.76
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410013	0	37	-2.0	-116.91	352.28	7.94	-108.97
CC1=COC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000410015	0	34	-2.0	-127.90	311.42	5.79	-122.11
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=NN1	REAL300000410016	0	40	-2.0	-125.61	367.03	4.94	-120.67
COC1=CSC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1OC	REAL300000410017	0	39	-2.0	-133.03	359.80	5.14	-127.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=CC2=CC=CC=C21	REAL300000410018	0	33	-2.0	-112.38	324.46	5.76	-106.62
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000410019	0	40	-2.0	-126.26	351.25	7.08	-119.18
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C21	REAL300000410020	1	41	-2.0	-137.34	360.54	8.90	-128.44
CN1N=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1Cl	REAL300000410021	0	34	-2.0	-122.76	326.68	5.19	-117.57
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000410022	0	40	-2.0	-144.02	344.68	8.96	-135.06
N#CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)OC=C1	REAL300000410023	0	32	-2.0	-129.09	308.68	5.59	-123.50
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000410024	0	36	-2.0	-119.59	334.58	6.52	-113.07
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000410025	1	45	-2.0	-133.78	390.50	8.74	-125.04
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000410026	0	44	-2.0	-129.86	383.66	7.93	-121.93
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000410027	0	38	-2.0	-138.07	345.06	6.47	-131.60
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(=O)NC(=O)N1	REAL300000410028	1	37	-2.0	-129.11	329.71	3.20	-125.91
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000410029	0	47	-2.0	-124.85	393.60	8.33	-116.52
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CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000410032	0	42	-2.0	-121.82	359.12	4.87	-116.95
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COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=N1	REAL300000410036	1	40	-2.0	-121.69	349.68	4.56	-117.13
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000410037	0	40	-2.0	-134.16	354.22	4.95	-129.21
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000410038	0	37	-2.0	-127.20	349.53	4.81	-122.39
COC1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C	REAL300000410039	0	40	-2.0	-122.74	354.15	4.54	-118.20
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000410040	0	43	-2.0	-125.22	369.78	7.28	-117.94
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000410041	0	43	-2.0	-126.73	370.44	6.86	-119.87
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N#CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)SC=C1	REAL300000410043	0	32	-2.0	-136.20	318.89	6.46	-129.74
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000410044	0	40	-2.0	-121.82	348.56	6.39	-115.43
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000410045	0	37	-2.0	-134.49	348.68	8.94	-125.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CC2=CC=CC=C21	REAL300000410046	0	41	-2.0	-121.20	359.05	7.25	-113.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=CC2=CC=CC=C21	REAL300000410047	0	41	-2.0	-126.90	360.70	8.29	-118.61
COC1=NOC(CS(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000410048	1	37	-2.0	-124.90	337.90	3.47	-121.43
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=NN1C(C)C	REAL300000410049	0	43	-2.0	-128.40	371.33	6.88	-121.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=CC2=CC=CC=C21	REAL300000410050	0	36	-2.0	-122.97	334.18	6.15	-116.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC2=CC=CC=C21	REAL300000410052	1	35	-2.0	-130.50	317.85	4.26	-126.24
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000410053	1	43	-2.0	-134.49	371.58	8.80	-125.69
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=CC2=CC=CC=C21	REAL300000410054	0	37	-2.0	-140.91	346.50	8.11	-132.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC2=CC=CC=C21	REAL300000410055	0	30	-2.0	-118.23	292.48	4.73	-113.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=CC2=CC=CC=C21	REAL300000410056	0	38	-2.0	-140.07	354.72	6.40	-133.67
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000410057	0	39	-2.0	-137.60	347.62	6.73	-130.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000410058	0	42	-2.0	-148.72	364.56	8.30	-140.42
CCC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000410059	0	39	-3.0	-192.44	357.43	7.68	-184.76
CCC1=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000410059	1	40	-2.0	-143.95	358.69	7.18	-136.77
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000410060	0	47	-2.0	-141.83	396.27	9.13	-132.70
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000410061	0	34	-2.0	-123.02	332.11	7.52	-115.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC2=CC=CC=C21	REAL300000410062	0	30	-2.0	-123.69	293.42	4.24	-119.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=CC2=CC=CC=C21	REAL300000410063	0	41	-2.0	-129.67	352.56	6.46	-123.21
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000410064	0	37	-2.0	-135.93	333.75	7.85	-128.08
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC=C1CO	REAL300000410067	1	40	-2.0	-108.86	356.97	3.81	-105.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC=C1CO	REAL300000410070	1	36	-2.0	-115.93	325.49	2.52	-113.41
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C1	REAL300000410073	1	32	-2.0	-105.84	310.42	3.29	-102.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C(Cl)C=C1Cl	REAL300000410075	1	32	-2.0	-101.43	322.91	3.67	-97.76
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C1	REAL300000410077	1	32	-2.0	-107.57	302.82	2.78	-104.79
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C1	REAL300000410079	0	29	-2.0	-104.18	290.53	1.76	-102.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C1	REAL300000410084	0	32	-2.0	-99.97	306.46	2.42	-97.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=CS1	REAL300000410086	1	29	-2.0	-105.50	289.00	1.77	-103.73
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC=C1CO	REAL300000410092	1	39	-2.0	-115.77	347.78	3.29	-112.48
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C(F)C=CC=C2CO)=C1	REAL300000410093	0	35	-2.0	-109.60	331.44	3.26	-106.34
CC1=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)C=C(C(=O)[O-])O1	REAL300000410095	1	32	-2.0	-104.14	300.36	1.88	-102.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C1	REAL300000410097	1	36	-2.0	-109.83	326.27	1.81	-108.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C(Cl)C=C1F	REAL300000410100	1	32	-2.0	-102.45	314.94	3.31	-99.14
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C1	REAL300000410108	1	32	-2.0	-99.49	325.57	3.74	-95.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)C(Cl)=C1	REAL300000410109	1	32	-2.0	-94.35	310.40	3.28	-91.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)S1	REAL300000410111	0	29	-2.0	-98.94	289.62	1.86	-97.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C1F	REAL300000410113	1	35	-2.0	-109.10	323.12	3.42	-105.68
COC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C(Cl)C=C1C(=O)[O-]	REAL300000410114	1	36	-2.0	-99.01	337.66	3.35	-95.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)C(F)=C1	REAL300000410115	1	32	-2.0	-96.35	302.81	2.79	-93.56
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(F)C=CC=C2CO)=C1	REAL300000410121	0	33	-2.0	-112.27	298.17	0.54	-111.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=CC=C1[N+](=O)[O-]	REAL300000410128	1	34	-2.0	-107.69	323.90	3.82	-103.87
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C1	REAL300000410129	1	32	-2.0	-99.04	309.10	2.85	-96.19
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)C=C1C(=O)[O-]	REAL300000410131	1	35	-2.0	-108.76	318.82	3.32	-105.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C1Cl	REAL300000410132	1	35	-2.0	-107.68	329.09	3.86	-103.82
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C1	REAL300000410133	1	35	-2.0	-113.87	322.36	3.41	-110.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C(F)C(Cl)=C1F	REAL300000410141	1	32	-2.0	-97.65	322.95	3.28	-94.37
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)C=C(C(=O)[O-])S1	REAL300000410143	1	41	-2.0	-107.26	346.82	4.86	-102.40
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)C=C1C(=O)[O-]	REAL300000410144	1	36	-2.0	-111.46	337.67	3.36	-108.10
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)C([N+](=O)[O-])=C1	REAL300000410146	0	37	-2.0	-101.73	340.60	4.91	-96.82
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C1[N+](=O)[O-]	REAL300000410148	0	34	-2.0	-115.82	321.07	4.57	-111.25
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C1F	REAL300000410149	1	32	-2.0	-112.99	301.01	2.76	-110.23
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C1	REAL300000410152	0	31	-2.0	-107.58	293.56	0.85	-106.73
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC=C1CO	REAL300000410153	1	36	-2.0	-101.37	325.55	2.52	-98.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)=C(Cl)O1	REAL300000410154	0	29	-2.0	-97.84	297.50	1.71	-96.13
CCC1=C(S(=O)(=O)[N-]C2=C(F)C=CC=C2CO)C=C(C(=O)[O-])O1	REAL300000410157	1	35	-2.0	-104.10	319.39	2.72	-101.38
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1	REAL300000410158	0	38	-2.0	-91.24	359.03	4.99	-86.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=CC=C1F	REAL300000410159	0	31	-2.0	-108.09	307.10	6.43	-101.66
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2SC=CC2=CC=C1	REAL300000410160	0	39	-2.0	-108.72	362.19	7.49	-101.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1	REAL300000410161	0	31	-2.0	-98.00	302.56	6.41	-91.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410162	0	31	-2.0	-110.91	302.57	6.40	-104.51
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2SC=CC2=CC=C1	REAL300000410163	0	35	-2.0	-116.06	330.71	6.20	-109.86
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1	REAL300000410164	0	35	-2.0	-97.28	334.02	7.70	-89.58
CC1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000410165	0	34	-2.0	-112.19	318.59	6.93	-105.26
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410166	0	31	-2.0	-105.87	315.64	6.96	-98.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=CC=C1Cl	REAL300000410167	0	31	-2.0	-106.58	315.08	6.79	-99.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1C	REAL300000410168	0	37	-2.0	-113.08	334.96	7.71	-105.37
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410169	0	31	-2.0	-108.03	308.04	6.46	-101.57
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1	REAL300000410170	0	37	-2.0	-96.61	346.14	7.98	-88.63
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410171	0	28	-2.0	-105.17	295.76	5.42	-99.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2SC=CC2=CC=C1	REAL300000410172	0	34	-2.0	-111.13	318.00	7.18	-103.95
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1	REAL300000410173	0	35	-2.0	-96.01	333.64	6.69	-89.32
CN1C=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000410174	0	32	-2.0	-109.12	309.22	5.76	-103.36
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2SC=CC2=CC=C1	REAL300000410175	1	35	-2.0	-111.73	326.35	5.24	-106.49
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410176	0	31	-2.0	-101.09	311.70	6.08	-95.01
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000410177	0	37	-2.0	-113.73	338.02	7.82	-105.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=CS1	REAL300000410178	0	28	-2.0	-106.55	294.22	5.44	-101.11
COC1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=CC(C(=O)[O-])=C1OC	REAL300000410179	0	39	-2.0	-111.29	360.88	6.21	-105.08
COC1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000410180	0	35	-2.0	-116.73	329.86	6.47	-110.26
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410181	0	41	-2.0	-115.24	357.81	9.04	-106.20
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2SC=CC2=CC=C1	REAL300000410182	0	40	-2.0	-113.34	356.47	8.41	-104.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2SC=CC2=CC=C1	REAL300000410183	0	37	-2.0	-109.07	332.69	8.13	-100.94
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2SC=CC2=CC=C1	REAL300000410184	0	38	-2.0	-116.93	353.00	6.97	-109.96
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410185	0	33	-3.0	-187.61	330.97	6.97	-180.64
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C3SC=CC3=CC=C2)=C1	REAL300000410185	1	34	-2.0	-108.59	331.28	6.86	-101.73
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410186	0	38	-2.0	-115.65	346.81	8.29	-107.36
CC1=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C(C(=O)[O-])O1	REAL300000410187	0	31	-2.0	-104.19	305.57	5.55	-98.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=CC2=C1OCCO2	REAL300000410188	0	37	-2.0	-115.76	344.73	6.17	-109.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410189	0	35	-2.0	-112.17	331.49	5.50	-106.67
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=C4SC=CC4=CC=C3)C=C2C1	REAL300000410190	0	39	-2.0	-97.46	356.20	7.01	-90.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C(Cl)C=C1F	REAL300000410191	0	31	-2.0	-102.39	320.15	7.00	-95.39
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1Cl	REAL300000410192	0	35	-2.0	-94.43	349.66	7.23	-87.20
CC1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=CC=C1OCC(=O)[O-]	REAL300000410193	0	38	-2.0	-96.48	353.72	7.39	-89.09
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2SC=CC2=CC=C1	REAL300000410194	0	34	-2.0	-101.96	322.87	7.24	-94.72
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1F	REAL300000410195	0	35	-2.0	-95.33	339.86	6.75	-88.58
CCOC1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000410196	0	38	-2.0	-117.40	351.70	7.38	-110.02
CC1=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C(C(=O)[O-])S1	REAL300000410197	0	31	-2.0	-107.42	312.26	6.28	-101.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C(Cl)=C1	REAL300000410198	0	31	-2.0	-95.31	315.62	6.96	-88.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1F	REAL300000410199	0	31	-2.0	-97.37	307.10	6.44	-90.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)S1	REAL300000410200	0	28	-2.0	-99.89	294.83	5.53	-94.36
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410201	0	31	-2.0	-101.63	308.97	6.47	-95.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1F	REAL300000410202	0	34	-2.0	-109.56	328.33	7.11	-102.45
COC1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000410203	0	35	-2.0	-99.95	342.87	7.02	-92.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C(F)=C1	REAL300000410204	0	31	-2.0	-97.62	308.03	6.47	-91.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1Cl	REAL300000410205	0	31	-2.0	-95.52	315.07	6.80	-88.72
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2SC=CC2=CC=C1	REAL300000410206	0	34	-2.0	-103.65	331.60	7.63	-96.02
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1	REAL300000410207	0	39	-2.0	-94.01	366.31	7.81	-86.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=CC(F)=C1F	REAL300000410208	0	31	-2.0	-99.59	313.39	6.49	-93.10
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410209	0	33	-2.0	-95.72	330.76	7.07	-88.65
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410210	0	32	-2.0	-109.84	312.28	4.11	-105.73
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1	REAL300000410211	0	34	-2.0	-101.53	324.74	7.18	-94.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=CC(Cl)=C1F	REAL300000410212	0	31	-2.0	-101.07	323.27	6.93	-94.14
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C2SC=CC2=CC=C1	REAL300000410213	0	34	-2.0	-106.97	312.61	7.03	-99.94
CC1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=CC(C(=O)[O-])=C1F	REAL300000410214	0	34	-2.0	-109.57	327.41	7.05	-102.52
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2SC=CC2=CC=C1	REAL300000410215	0	34	-2.0	-97.92	317.98	7.17	-90.75
CC1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=CC(C(=O)[O-])=C1C	REAL300000410216	0	37	-2.0	-115.38	340.07	7.60	-107.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=CC=C1[N+](=O)[O-]	REAL300000410217	0	33	-2.0	-108.70	329.12	7.50	-101.20
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410218	0	31	-2.0	-99.70	314.30	6.53	-93.17
CC1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C(C)=C1C(=O)[O-]	REAL300000410219	0	37	-2.0	-111.52	336.10	7.80	-103.72
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000410220	0	34	-2.0	-110.37	327.88	7.10	-103.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1Cl	REAL300000410221	0	34	-2.0	-107.78	334.33	7.54	-100.24
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410222	0	34	-2.0	-116.18	327.60	7.09	-109.09
CCC1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000410223	0	37	-2.0	-112.89	336.89	7.59	-105.30
COC1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1CC(=O)[O-]	REAL300000410224	0	38	-2.0	-113.49	353.04	6.53	-106.96
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C2SC=CC2=CC=C1	REAL300000410225	0	34	-2.0	-100.22	328.83	7.58	-92.64
CC1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=CC(C(=O)[O-])=C1Cl	REAL300000410226	0	34	-2.0	-108.42	333.80	7.36	-101.06
CCN1C=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000410227	0	35	-2.0	-110.45	330.59	6.62	-103.83
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C(C)=C1CC(=O)[O-]	REAL300000410228	1	43	-2.0	-111.42	367.72	9.27	-102.15
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000410229	0	34	-2.0	-105.28	336.34	7.47	-97.81
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C(C(=O)[O-])S1	REAL300000410230	0	40	-2.0	-106.39	352.45	8.51	-97.88
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000410231	0	35	-2.0	-111.45	342.89	7.03	-104.42
CC1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=CC=C1C(=O)[O-]	REAL300000410232	0	34	-2.0	-98.21	318.58	6.95	-91.26
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C([N+](=O)[O-])=C1	REAL300000410233	0	36	-2.0	-102.26	345.82	8.58	-93.68
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2SC=CC2=CC=C1	REAL300000410234	0	34	-2.0	-108.63	322.10	7.24	-101.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1[N+](=O)[O-]	REAL300000410235	0	33	-2.0	-118.10	326.31	8.25	-109.85
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1F	REAL300000410236	0	31	-2.0	-115.33	306.19	6.43	-108.90
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000410237	0	34	-2.0	-103.43	327.53	7.08	-96.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=CC2=CC=CC=C21	REAL300000410238	0	37	-2.0	-119.34	343.61	8.52	-110.82
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C1	REAL300000410239	0	30	-2.0	-108.80	298.78	4.52	-104.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2SC=CC2=CC=C1	REAL300000410240	0	35	-2.0	-102.23	330.77	6.20	-96.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)=C(Cl)O1	REAL300000410241	0	28	-2.0	-98.21	302.67	5.38	-92.83
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C4SC=CC4=CC=C3)C=C2)CC1	REAL300000410242	0	38	-2.0	-104.55	348.69	8.28	-96.27
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C4SC=CC4=CC=C3)C=C2C1	REAL300000410243	0	38	-2.0	-107.97	346.66	8.27	-99.70
CCC1=C(S(=O)(=O)[N-]C2=C3SC=CC3=CC=C2)C=C(C(=O)[O-])O1	REAL300000410244	0	34	-2.0	-103.82	324.70	6.40	-97.42
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1O	REAL300000410245	1	39	-2.0	-88.38	353.25	1.49	-86.89
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C)=C1	REAL300000410247	0	40	-2.0	-106.13	356.41	3.99	-102.14
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=CC=C1O	REAL300000410248	1	32	-2.0	-101.69	313.21	3.61	-98.08
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C)=C1	REAL300000410251	0	36	-2.0	-112.86	324.93	2.69	-110.17
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1O	REAL300000410255	0	32	-2.0	-102.34	309.86	3.47	-98.87
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=CC=C1O	REAL300000410257	0	32	-2.0	-98.47	322.37	3.84	-94.63
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1O	REAL300000410259	0	32	-2.0	-104.02	302.27	2.96	-101.06
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1O	REAL300000410261	0	29	-2.0	-101.14	289.97	1.91	-99.23
CC1=CC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=CC=C1O	REAL300000410265	0	29	-2.0	-98.15	306.97	2.69	-95.46
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1O	REAL300000410266	1	33	-2.0	-105.06	303.44	2.25	-102.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C(C)=C2)=C1	REAL300000410268	0	32	-2.0	-97.23	305.91	2.58	-94.65
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1O	REAL300000410270	1	29	-2.0	-102.52	288.44	1.93	-100.59
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C)=C1	REAL300000410276	0	39	-2.0	-113.31	347.22	3.46	-109.85
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000410277	0	35	-2.0	-110.81	331.76	3.34	-107.47
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000410279	0	32	-2.0	-100.77	299.80	2.04	-98.73
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(O)C(C)=C2)=C1	REAL300000410281	0	36	-2.0	-108.18	325.78	2.00	-106.18
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=CC=C1O	REAL300000410283	1	32	-2.0	-96.75	324.47	3.75	-93.00
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1O	REAL300000410284	1	32	-2.0	-99.04	314.39	3.48	-95.56
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1O	REAL300000410288	1	35	-2.0	-98.80	317.50	3.72	-95.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000410293	1	32	-2.0	-104.72	305.39	2.79	-101.93
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=CC=C1O	REAL300000410294	0	32	-2.0	-96.19	325.01	3.92	-92.27
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1O	REAL300000410295	1	32	-2.0	-92.04	309.84	3.46	-88.58
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=CC=C1O	REAL300000410296	1	32	-2.0	-91.51	313.19	3.59	-87.92
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1O	REAL300000410298	0	29	-2.0	-96.38	289.06	2.03	-94.35
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000410299	1	32	-2.0	-97.50	303.19	2.97	-94.53
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1O	REAL300000410300	0	35	-2.0	-105.83	322.56	3.59	-102.24
COC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000410301	0	36	-2.0	-96.72	337.10	3.52	-93.20
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1O	REAL300000410302	0	32	-2.0	-93.92	302.25	2.97	-90.95
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1O	REAL300000410305	1	40	-2.0	-91.20	360.52	4.31	-86.89
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1O	REAL300000410307	1	32	-2.0	-96.15	307.62	2.99	-93.16
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1O	REAL300000410308	1	34	-2.0	-92.09	324.98	3.57	-88.52
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1O	REAL300000410309	0	33	-2.0	-106.67	306.51	0.61	-106.06
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1O	REAL300000410309	1	33	-2.0	-106.74	305.69	1.43	-105.31
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1O	REAL300000410316	1	34	-2.0	-105.58	323.35	3.99	-101.59
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1O	REAL300000410317	0	32	-2.0	-95.70	308.55	3.03	-92.67
CC1=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=CC=C1O	REAL300000410318	0	29	-2.0	-94.14	309.37	2.59	-91.55
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1O	REAL300000410320	0	35	-2.0	-106.72	322.11	3.59	-103.13
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1O	REAL300000410321	0	35	-2.0	-104.65	328.54	4.03	-100.62
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(C)=C2)=C1	REAL300000410322	0	35	-2.0	-111.20	321.83	3.59	-107.61
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000410328	1	32	-2.0	-99.39	318.08	3.51	-95.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C)=C2)C=C1C(=O)[O-]	REAL300000410329	1	36	-2.0	-106.86	324.80	3.11	-103.75
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CC=C1O	REAL300000410331	0	32	-2.0	-94.68	322.40	3.46	-91.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=CC=C1O	REAL300000410332	0	36	-2.0	-93.48	341.49	3.21	-90.27
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1O	REAL300000410334	1	41	-2.0	-103.76	346.25	5.03	-98.73
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C)=C2)C=C1C(=O)[O-]	REAL300000410335	1	36	-2.0	-107.89	337.12	3.53	-104.36
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1O	REAL300000410337	0	37	-2.0	-99.79	340.06	5.09	-94.70
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1O	REAL300000410339	0	34	-2.0	-113.43	320.52	4.75	-108.68
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1O	REAL300000410340	0	32	-2.0	-110.39	300.40	2.92	-107.47
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1O	REAL300000410343	0	31	-2.0	-104.79	293.02	1.02	-103.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C)=C1	REAL300000410344	0	36	-2.0	-98.79	324.99	2.69	-96.10
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1O	REAL300000410345	0	29	-2.0	-94.72	296.94	1.88	-92.84
CC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=CC=C1O	REAL300000410347	0	35	-2.0	-97.96	340.14	-0.07	-98.03
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000410350	0	35	-2.0	-100.69	318.92	2.89	-97.80
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=NO1	REAL300000410351	0	34	-2.0	-83.67	322.69	1.76	-81.91
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NO1	REAL300000410352	0	27	-2.0	-98.74	270.77	3.20	-95.54
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)ON=C1	REAL300000410353	0	35	-2.0	-100.69	325.86	4.28	-96.41
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=NO1	REAL300000410354	0	27	-2.0	-96.70	282.66	3.88	-92.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)ON=C1	REAL300000410355	0	31	-2.0	-106.56	294.38	2.99	-103.57
CC1=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=NO1	REAL300000410356	0	27	-2.0	-96.42	282.48	3.66	-92.76
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=NO1	REAL300000410357	0	31	-2.0	-89.39	297.69	4.47	-84.92
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=NO1	REAL300000410358	0	27	-2.0	-97.14	279.31	3.74	-93.40
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=NO1	REAL300000410359	0	27	-2.0	-96.95	278.74	3.56	-93.39
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=NO1	REAL300000410360	0	27	-2.0	-92.95	291.80	4.12	-88.83
CC1=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)C=NO1	REAL300000410361	0	33	-2.0	-104.37	298.63	4.48	-99.89
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=NO1	REAL300000410362	0	27	-2.0	-98.33	271.71	3.23	-95.10
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=NO1	REAL300000410363	0	33	-2.0	-88.65	309.81	4.76	-83.89
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=NO1	REAL300000410364	0	31	-2.0	-88.01	297.30	3.46	-84.55
CC1=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C=NO1	REAL300000410365	0	38	-2.0	-84.67	343.07	4.24	-80.43
CC1=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=NO1	REAL300000410366	0	24	-2.0	-92.80	276.42	2.96	-89.84
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=NO1	REAL300000410367	0	31	-2.0	-103.16	290.44	1.98	-101.18
CC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)C=NO1	REAL300000410368	0	27	-2.0	-96.19	291.15	3.81	-92.38
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)ON=C2)=C1	REAL300000410369	0	27	-2.0	-91.53	275.35	2.86	-88.67
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)C=NO1	REAL300000410370	0	33	-2.0	-103.68	297.68	4.49	-99.19
COC1=CC(S(=O)(=O)[N-]C2=C(C)ON=C2)=CC(C(=O)[O-])=C1OC	REAL300000410371	0	35	-2.0	-101.30	324.59	2.98	-98.32
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)ON=C2)C=C1C(=O)[O-]	REAL300000410372	0	31	-2.0	-106.78	293.52	3.24	-103.54
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=NO1	REAL300000410373	0	37	-2.0	-106.01	321.48	5.81	-100.20
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=NO1	REAL300000410374	0	36	-2.0	-104.63	320.13	5.18	-99.45
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)ON=C1	REAL300000410375	0	33	-2.0	-101.35	296.36	4.89	-96.46
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)ON=C1	REAL300000410376	0	34	-2.0	-106.41	316.67	3.74	-102.67
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=NO1	REAL300000410377	0	29	-3.0	-172.87	294.64	3.74	-169.13
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=NO1	REAL300000410378	0	34	-2.0	-106.38	310.48	5.07	-101.31
CC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=NO1	REAL300000410379	0	33	-2.0	-105.51	308.41	2.94	-102.57
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=NO1	REAL300000410380	0	31	-2.0	-100.99	295.16	2.28	-98.71
CC1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=NO1	REAL300000410381	0	35	-2.0	-88.39	319.15	3.78	-84.61
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=NO1	REAL300000410382	0	27	-2.0	-90.89	293.92	4.02	-86.87
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=NO1	REAL300000410383	0	27	-2.0	-94.25	283.83	3.76	-90.49
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=NO1	REAL300000410384	0	31	-2.0	-86.70	313.33	4.00	-82.70
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=NO1	REAL300000410385	0	34	-2.0	-88.42	317.40	4.16	-84.26
CC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=NO1	REAL300000410386	0	37	-2.0	-88.05	345.99	4.42	-83.63
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=NO1	REAL300000410387	0	30	-2.0	-93.30	286.95	3.99	-89.31
CC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)C=NO1	REAL300000410388	0	40	-2.0	-88.99	359.85	5.09	-83.90
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=NO1	REAL300000410389	0	31	-2.0	-87.71	303.53	3.52	-84.19
CC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)C=NO1	REAL300000410390	0	37	-2.0	-87.62	355.79	4.91	-82.71
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)ON=C2)C=C1C(=O)[O-]	REAL300000410391	0	34	-2.0	-107.41	315.37	4.15	-103.26
CC1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=NO1	REAL300000410392	0	27	-2.0	-99.17	274.86	3.07	-96.10
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=NO1	REAL300000410393	0	27	-2.0	-90.96	294.46	4.19	-86.77
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=NO1	REAL300000410394	0	27	-2.0	-86.71	279.29	3.73	-82.98
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=NO1	REAL300000410395	0	27	-2.0	-86.41	282.64	3.88	-82.53
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=NO1	REAL300000410396	0	27	-2.0	-88.77	270.76	3.21	-85.56
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=NO1	REAL300000410397	0	27	-2.0	-92.00	272.65	3.24	-88.76
CC1=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C=NO1	REAL300000410398	0	30	-2.0	-99.50	291.99	3.88	-95.62
COC1=CC(S(=O)(=O)[N-]C2=C(C)ON=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000410399	0	31	-2.0	-91.33	306.54	3.80	-87.53
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=NO1	REAL300000410400	0	27	-2.0	-88.13	271.69	3.24	-84.89
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=NO1	REAL300000410401	0	27	-2.0	-86.77	278.73	3.57	-83.20
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=NO1	REAL300000410402	0	30	-2.0	-94.94	295.68	4.37	-90.57
CC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)C=NO1	REAL300000410403	0	30	-2.0	-90.59	297.07	4.46	-86.13
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=NO1	REAL300000410404	0	35	-2.0	-86.54	329.97	4.58	-81.96
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=NO1	REAL300000410405	0	27	-2.0	-86.29	282.47	3.67	-82.62
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=NO1	REAL300000410406	0	27	-2.0	-90.62	277.06	3.27	-87.35
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=NO1	REAL300000410407	0	29	-2.0	-86.46	294.42	3.84	-82.62
CC1=C([N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)C=NO1	REAL300000410408	0	30	-2.0	-95.95	304.11	4.33	-91.62
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=NO1	REAL300000410409	0	27	-2.0	-91.98	286.95	3.70	-88.28
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)C=NO1	REAL300000410410	0	30	-2.0	-95.48	299.71	4.46	-91.02
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)C=NO1	REAL300000410411	0	30	-2.0	-99.91	291.08	3.82	-96.09
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)C=NO1	REAL300000410412	0	33	-2.0	-103.60	299.12	4.24	-99.36
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=NO1	REAL300000410413	0	29	-2.0	-99.93	292.79	4.27	-95.66
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=NO1	REAL300000410414	0	27	-2.0	-90.12	277.97	3.30	-86.82
CC1=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=NO1	REAL300000410415	0	24	-2.0	-88.14	278.81	2.85	-85.29
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=NO1	REAL300000410416	0	33	-2.0	-100.70	300.71	4.57	-96.13
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C=NO1	REAL300000410417	0	30	-2.0	-99.17	287.71	3.77	-95.40
CC1=C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)C=NO1	REAL300000410418	0	30	-2.0	-98.76	298.00	4.31	-94.45
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=NO1	REAL300000410419	0	30	-2.0	-104.67	291.24	3.86	-100.81
COC1=CC(Br)=C(S(=O)(=O)[N-]C2=C(C)ON=C2)C=C1C(=O)[O-]	REAL300000410420	0	31	-2.0	-102.40	309.91	3.94	-98.46
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)ON=C2)C=C1C(=O)[O-]	REAL300000410421	0	33	-2.0	-102.50	300.20	4.36	-98.14
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)C=NO1	REAL300000410422	0	27	-2.0	-93.87	287.18	3.91	-89.96
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)ON=C2)C=C1CC(=O)[O-]	REAL300000410423	0	34	-2.0	-102.65	316.70	3.30	-99.35
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=NO1	REAL300000410424	0	30	-2.0	-90.24	292.50	4.36	-85.88
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=NO1	REAL300000410425	0	30	-2.0	-85.84	296.37	3.99	-81.85
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)C=NO1	REAL300000410426	0	30	-2.0	-98.53	297.47	4.13	-94.40
CC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=NO1	REAL300000410427	0	27	-2.0	-93.78	287.54	3.79	-89.99
CC1=C([N-]S(=O)(=O)C2=C(Br)C(C)=CC(C(=O)[O-])=C2)C=NO1	REAL300000410428	0	30	-2.0	-98.44	300.81	4.45	-93.99
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=NO1	REAL300000410429	0	39	-2.0	-100.46	331.38	6.05	-94.41
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)C=NO1	REAL300000410430	0	27	-2.0	-89.22	288.34	3.93	-85.29
CC1=C([N-]S(=O)(=O)C2=CC(Br)=C(Cl)C(C(=O)[O-])=C2)C=NO1	REAL300000410431	0	27	-2.0	-91.26	298.13	4.12	-87.14
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=NO1	REAL300000410432	0	27	-2.0	-89.14	291.85	3.73	-85.41
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=NO1	REAL300000410433	0	31	-2.0	-87.97	310.93	3.49	-84.48
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=NO1	REAL300000410434	0	30	-2.0	-95.44	300.01	4.24	-91.20
CC1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=NO1	REAL300000410435	0	36	-2.0	-98.97	315.99	5.28	-93.69
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Br)C=NO1	REAL300000410436	0	27	-2.0	-92.60	295.16	4.26	-88.34
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)ON=C2)C=C1C(=O)[O-]	REAL300000410437	0	31	-2.0	-102.75	306.56	3.80	-98.95
CC1=C([N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2C)C=NO1	REAL300000410438	0	33	-2.0	-94.37	317.87	5.11	-89.26
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=NO1	REAL300000410439	0	32	-2.0	-93.65	309.49	5.38	-88.27
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=NO1	REAL300000410440	0	30	-2.0	-100.60	285.76	4.01	-96.59
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=NO1	REAL300000410441	0	29	-2.0	-107.22	289.97	5.04	-102.18
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=NO1	REAL300000410442	0	27	-2.0	-104.04	269.87	3.20	-100.84
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=NO1	REAL300000410443	0	30	-2.0	-93.69	291.19	3.85	-89.84
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=NO1	REAL300000410444	0	33	-2.0	-108.74	307.27	5.29	-103.45
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)ON=C1	REAL300000410445	0	31	-2.0	-93.03	294.43	2.99	-90.04
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=NO1	REAL300000410446	0	24	-2.0	-89.26	266.34	2.17	-87.09
CC1=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=NO1	REAL300000410447	0	31	-2.0	-96.53	310.02	3.72	-92.81
CC1=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=NO1	REAL300000410448	0	30	-2.0	-91.86	309.58	0.21	-91.65
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=NO1	REAL300000410449	0	34	-2.0	-95.75	312.36	5.06	-90.69
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=NO1	REAL300000410450	0	34	-2.0	-97.22	310.32	5.04	-92.18
CCC1=C(S(=O)(=O)[N-]C2=C(C)ON=C2)C=C(C(=O)[O-])O1	REAL300000410451	0	30	-2.0	-95.61	288.36	3.17	-92.44
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000410452	0	36	-2.0	-111.69	338.54	5.64	-106.05
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000410453	0	36	-2.0	-102.60	334.00	5.61	-96.99
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000410454	0	36	-2.0	-114.35	334.01	5.60	-108.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C#N	REAL300000410455	0	40	-2.0	-118.85	362.16	5.40	-113.45
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000410456	0	40	-2.0	-101.30	365.47	6.90	-94.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)C=C1C(=O)[O-]	REAL300000410457	0	39	-2.0	-116.76	350.67	6.18	-110.58
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000410458	0	36	-2.0	-109.18	347.08	6.19	-102.99
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000410459	0	36	-2.0	-110.16	346.52	6.00	-104.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)=C1C	REAL300000410460	0	42	-2.0	-116.05	367.09	6.94	-109.11
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000410461	0	36	-2.0	-111.34	339.49	5.67	-105.67
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000410462	0	42	-2.0	-100.29	377.59	7.19	-93.10
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000410463	0	33	-2.0	-108.96	327.20	4.62	-104.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C#N	REAL300000410464	0	39	-2.0	-114.16	349.44	6.40	-107.76
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000410465	0	40	-2.0	-99.91	365.08	5.89	-94.02
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000410466	0	37	-2.0	-113.04	340.66	4.95	-108.09
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C#N	REAL300000410467	0	40	-2.0	-114.63	357.75	4.45	-110.18
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)=C1	REAL300000410468	0	36	-2.0	-106.03	343.16	5.29	-100.74
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)C=C1C(=O)[O-]	REAL300000410469	0	42	-2.0	-115.40	365.29	6.91	-108.49
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000410470	0	33	-2.0	-110.17	325.67	4.64	-105.53
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)C=C1C(=O)[O-]	REAL300000410471	0	40	-2.0	-120.11	361.29	5.67	-114.44
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C#N	REAL300000410472	0	45	-2.0	-116.09	387.93	7.61	-108.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C#N	REAL300000410473	0	42	-2.0	-111.67	364.14	7.33	-104.34
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C#N	REAL300000410474	0	43	-2.0	-119.81	384.48	6.16	-113.65
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000410475	0	38	-3.0	-193.19	362.42	6.16	-187.03
CC(C#N)OC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000410475	1	39	-2.0	-114.55	363.06	6.16	-108.39
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000410476	0	43	-2.0	-118.48	378.26	7.50	-110.98
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)C=C(C(=O)[O-])O1	REAL300000410477	0	36	-2.0	-108.16	337.03	4.74	-103.42
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)=C1	REAL300000410478	0	40	-2.0	-116.96	363.03	4.69	-112.27
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000410479	0	36	-2.0	-105.85	351.61	6.20	-99.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)=CC=C1OCC(=O)[O-]	REAL300000410480	0	43	-2.0	-100.48	385.17	6.60	-93.88
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C#N	REAL300000410481	0	39	-2.0	-105.23	354.76	6.42	-98.81
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000410482	0	40	-2.0	-99.53	371.30	5.95	-93.58
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)C=C1C(=O)[O-]	REAL300000410483	0	43	-2.0	-122.11	383.09	6.59	-115.52
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)C=C(C(=O)[O-])S1	REAL300000410484	0	36	-2.0	-110.90	342.63	5.50	-105.40
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000410485	0	36	-2.0	-99.87	347.07	6.18	-93.69
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000410486	0	36	-2.0	-102.16	338.52	5.65	-96.51
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000410487	0	33	-2.0	-104.64	326.27	4.73	-99.91
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000410488	0	36	-2.0	-106.32	340.42	5.67	-100.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)=C1F	REAL300000410489	0	39	-2.0	-112.87	359.77	6.30	-106.57
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000410490	0	36	-2.0	-102.30	339.48	5.68	-96.62
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000410491	0	36	-2.0	-100.18	346.50	6.01	-94.17
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C#N	REAL300000410492	0	39	-2.0	-106.81	363.50	6.80	-100.01
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000410493	0	36	-2.0	-103.48	344.83	5.70	-97.78
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000410494	0	38	-2.0	-100.34	362.20	6.28	-94.06
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000410495	0	37	-2.0	-112.91	343.73	3.31	-109.60
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000410496	0	39	-2.0	-105.34	356.19	6.38	-98.96
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000410497	0	36	-2.0	-104.97	354.72	6.14	-98.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C#N	REAL300000410498	0	39	-2.0	-112.29	344.04	6.24	-106.05
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)=CC(C(=O)[O-])=C1F	REAL300000410499	0	39	-2.0	-114.55	358.86	6.25	-108.30
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C#N	REAL300000410500	0	39	-2.0	-102.31	349.43	6.38	-95.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)=CC(C(=O)[O-])=C1C	REAL300000410501	0	42	-2.0	-118.83	366.49	6.66	-112.17
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000410502	0	38	-2.0	-111.93	361.17	6.73	-105.20
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000410503	0	36	-2.0	-103.43	345.75	5.73	-97.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)C(C)=C1C(=O)[O-]	REAL300000410504	0	42	-2.0	-117.01	367.61	7.02	-109.99
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)C=C1C(=O)[O-]	REAL300000410505	0	39	-2.0	-112.27	356.12	6.24	-106.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)=C1Cl	REAL300000410506	0	39	-2.0	-111.10	365.82	6.74	-104.36
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)=C1	REAL300000410507	0	39	-2.0	-121.58	359.03	6.30	-115.28
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)C=C1C(=O)[O-]	REAL300000410508	0	42	-2.0	-115.77	368.49	6.82	-108.95
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)C=C1CC(=O)[O-]	REAL300000410509	0	43	-2.0	-117.49	384.47	5.74	-111.75
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C#N	REAL300000410510	0	39	-2.0	-105.18	360.89	6.81	-98.37
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)=CC(C(=O)[O-])=C1Cl	REAL300000410511	0	39	-2.0	-113.27	365.24	6.56	-106.71
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)C=C1C(=O)[O-]	REAL300000410512	0	40	-2.0	-114.31	362.03	5.82	-108.49
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)C=C1C(=O)[O-]	REAL300000410513	0	39	-2.0	-107.61	364.43	6.61	-101.00
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)=CC=C1C(=O)[O-]	REAL300000410514	0	39	-2.0	-104.41	354.04	6.25	-98.16
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C#N	REAL300000410515	0	39	-2.0	-111.50	353.95	6.42	-105.08
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000410516	0	38	-2.0	-123.62	357.76	7.45	-116.17
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000410517	0	36	-2.0	-120.66	337.65	5.63	-115.03
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)C=C1C(=O)[O-]	REAL300000410518	0	39	-2.0	-105.89	356.02	6.22	-99.67
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000410519	0	42	-2.0	-124.27	375.07	7.73	-116.54
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000410520	0	35	-2.0	-113.37	330.23	3.72	-109.65
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(C)C#N	REAL300000410521	0	40	-2.0	-106.40	362.25	5.40	-101.00
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000410522	0	33	-2.0	-102.50	334.12	4.57	-97.93
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000410523	0	43	-2.0	-107.92	380.14	7.49	-100.43
CC(C#N)OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000410524	0	43	-2.0	-113.51	378.10	7.47	-106.04
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C#N)C=C(C(=O)[O-])O1	REAL300000410525	0	39	-2.0	-107.52	356.15	5.59	-101.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=CC=C1F	REAL300000410526	0	35	-2.0	-104.85	325.92	4.83	-100.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1	REAL300000410527	0	35	-2.0	-95.11	321.38	4.81	-90.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1	REAL300000410528	0	35	-2.0	-107.34	321.38	4.80	-102.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2=O	REAL300000410529	0	39	-2.0	-112.83	349.52	4.60	-108.23
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1	REAL300000410530	0	39	-2.0	-94.67	352.84	6.09	-88.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1C(=O)[O-]	REAL300000410531	0	38	-2.0	-108.50	337.40	5.33	-103.17
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1	REAL300000410532	0	35	-2.0	-103.00	334.46	5.38	-97.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=CC=C1Cl	REAL300000410533	0	35	-2.0	-103.21	333.90	5.19	-98.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1C	REAL300000410534	0	41	-2.0	-110.17	354.48	6.14	-104.03
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1	REAL300000410535	0	35	-2.0	-104.72	326.85	4.86	-99.86
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1	REAL300000410536	0	41	-2.0	-93.94	364.95	6.39	-87.55
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1	REAL300000410537	0	32	-2.0	-101.72	314.56	3.81	-97.91
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2=O	REAL300000410538	0	38	-2.0	-108.30	336.81	5.58	-102.72
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1	REAL300000410539	0	39	-2.0	-93.33	352.46	5.08	-88.25
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1C(=O)[O-]	REAL300000410540	0	36	-2.0	-105.78	328.03	4.14	-101.64
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2=O	REAL300000410541	0	39	-2.0	-108.61	345.57	3.61	-105.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1	REAL300000410542	0	35	-2.0	-97.89	330.51	4.49	-93.40
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1C(=O)[O-]	REAL300000410543	0	41	-2.0	-109.48	352.82	6.12	-103.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=CS1	REAL300000410544	0	32	-2.0	-103.06	313.03	3.83	-99.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1C(=O)[O-]	REAL300000410545	0	39	-2.0	-113.18	348.67	4.87	-108.31
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2=O	REAL300000410546	0	44	-2.0	-110.42	375.27	6.81	-103.61
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2=O	REAL300000410547	0	41	-2.0	-106.44	351.52	6.54	-99.90
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2=O	REAL300000410548	0	42	-2.0	-113.14	371.81	5.37	-107.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=CC(C(=O)[O-])=C1	REAL300000410549	0	37	-3.0	-182.06	349.78	5.36	-176.70
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2OCCC3=O)=CC(C(=O)[O-])=C1	REAL300000410549	1	38	-2.0	-109.90	349.76	5.31	-104.59
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1	REAL300000410550	0	42	-2.0	-112.52	365.62	6.70	-105.82
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C(C(=O)[O-])O1	REAL300000410551	0	35	-2.0	-101.44	324.38	3.93	-97.51
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1	REAL300000410552	0	39	-2.0	-108.06	350.34	3.89	-104.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C(Cl)C=C1F	REAL300000410553	0	35	-2.0	-99.76	338.97	5.40	-94.36
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=CC=C1OCC(=O)[O-]	REAL300000410554	0	42	-2.0	-93.83	372.54	5.79	-88.04
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2=O	REAL300000410555	0	38	-2.0	-98.95	342.09	5.62	-93.33
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1F	REAL300000410556	0	39	-2.0	-92.83	358.69	5.15	-87.68
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1C(=O)[O-]	REAL300000410557	0	42	-2.0	-113.75	370.53	5.78	-107.97
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C(C(=O)[O-])S1	REAL300000410558	0	35	-2.0	-104.59	331.07	4.68	-99.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C(Cl)=C1	REAL300000410559	0	35	-2.0	-92.48	334.42	5.37	-87.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1F	REAL300000410560	0	35	-2.0	-94.59	325.90	4.84	-89.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)S1	REAL300000410561	0	32	-2.0	-96.70	313.63	3.93	-92.77
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1	REAL300000410562	0	35	-2.0	-98.30	327.78	4.87	-93.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1F	REAL300000410563	0	38	-2.0	-106.09	347.13	5.50	-100.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C(F)=C1	REAL300000410564	0	35	-2.0	-94.43	326.84	4.87	-89.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1Cl	REAL300000410565	0	35	-2.0	-92.62	333.88	5.20	-87.42
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2=O	REAL300000410566	0	38	-2.0	-100.57	350.82	6.00	-94.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=CC(F)=C1F	REAL300000410567	0	35	-2.0	-96.51	332.20	4.89	-91.62
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1	REAL300000410568	0	37	-2.0	-92.48	349.57	5.47	-87.01
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1	REAL300000410569	0	36	-2.0	-107.18	331.09	2.51	-104.67
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1	REAL300000410570	0	38	-2.0	-98.63	343.56	5.58	-93.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=CC(Cl)=C1F	REAL300000410571	0	35	-2.0	-97.89	342.09	5.33	-92.56
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2=O	REAL300000410572	0	38	-2.0	-103.19	331.41	5.44	-97.75
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=CC(C(=O)[O-])=C1F	REAL300000410573	0	38	-2.0	-106.17	346.21	5.45	-100.72
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2=O	REAL300000410574	0	38	-2.0	-95.17	336.79	5.57	-89.60
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=CC(C(=O)[O-])=C1C	REAL300000410575	0	41	-2.0	-110.46	354.25	5.87	-104.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=CC=C1[N+](=O)[O-]	REAL300000410576	0	37	-2.0	-105.77	347.94	5.89	-99.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1	REAL300000410577	0	35	-2.0	-96.39	333.11	4.93	-91.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C(C)=C1C(=O)[O-]	REAL300000410578	0	41	-2.0	-107.39	355.85	6.19	-101.20
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1C(=O)[O-]	REAL300000410579	0	38	-2.0	-105.79	342.85	5.40	-100.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1Cl	REAL300000410580	0	38	-2.0	-104.78	353.13	5.95	-98.83
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1	REAL300000410581	0	38	-2.0	-111.92	346.41	5.49	-106.43
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1C(=O)[O-]	REAL300000410582	0	41	-2.0	-109.13	355.70	5.99	-103.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1CC(=O)[O-]	REAL300000410583	0	42	-2.0	-109.09	371.85	4.93	-104.16
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2=O	REAL300000410584	0	38	-2.0	-96.67	347.64	5.98	-90.69
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=CC(C(=O)[O-])=C1Cl	REAL300000410585	0	38	-2.0	-104.94	352.60	5.76	-99.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1C(=O)[O-]	REAL300000410586	0	39	-2.0	-107.06	349.40	5.01	-102.05
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1C(=O)[O-]	REAL300000410587	0	38	-2.0	-101.82	355.15	5.87	-95.95
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=CC=C1C(=O)[O-]	REAL300000410588	0	38	-2.0	-95.18	337.38	5.34	-89.84
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2=O	REAL300000410589	0	38	-2.0	-105.68	341.32	5.61	-100.07
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=C3OCCC(=O)C3=CC=C2)=CC=C1	REAL300000410590	0	37	-2.0	-114.17	345.12	6.66	-107.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1F	REAL300000410591	0	35	-2.0	-111.19	325.01	4.83	-106.36
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C1C(=O)[O-]	REAL300000410592	0	38	-2.0	-100.06	346.34	5.48	-94.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3OCCC(=O)C3=CC=C2)=CC2=CC=CC=C21	REAL300000410593	0	41	-2.0	-115.43	362.42	6.92	-108.51
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C1	REAL300000410594	0	34	-2.0	-104.77	318.36	2.86	-101.91
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2=O	REAL300000410595	0	39	-2.0	-99.22	349.57	4.59	-94.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)=C(Cl)O1	REAL300000410596	0	32	-2.0	-95.28	321.47	3.77	-91.51
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C4OCCC(=O)C4=CC=C3)C=C2)CC1	REAL300000410597	0	42	-2.0	-101.62	367.50	6.69	-94.93
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C4OCCC(=O)C4=CC=C3)C=C2C1	REAL300000410598	0	42	-2.0	-103.80	365.46	6.67	-97.13
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3=O)C=C(C(=O)[O-])O1	REAL300000410599	0	38	-2.0	-101.25	343.50	4.79	-96.46
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)=C1	REAL300000410614	1	29	-2.0	-102.46	288.42	2.29	-100.17
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)=C1	REAL300000410616	1	26	-2.0	-100.48	276.13	1.24	-99.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)=C(Br)S1	REAL300000410620	1	26	-2.0	-96.87	293.15	2.01	-94.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)=C1	REAL300000410623	1	29	-2.0	-96.59	292.07	1.92	-94.67
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(O)C=C2F)=C1	REAL300000410632	0	32	-2.0	-105.17	311.49	2.71	-102.46
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)C=C(C(=O)[O-])O1	REAL300000410634	1	29	-2.0	-99.27	285.94	1.36	-97.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)S1	REAL300000410652	1	26	-2.0	-95.15	275.20	1.35	-93.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)=C1F	REAL300000410654	1	32	-2.0	-108.65	304.26	3.00	-105.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)C(F)=C1	REAL300000410656	1	29	-2.0	-95.97	283.98	2.37	-93.60
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(O)C=C2F)=C1	REAL300000410663	0	30	-2.0	-103.59	287.21	0.81	-102.78
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)=C1	REAL300000410671	1	29	-2.0	-98.82	290.25	2.43	-96.39
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)S1	REAL300000410672	0	26	-2.0	-93.33	295.52	1.91	-91.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)C=C1C(=O)[O-]	REAL300000410674	1	32	-2.0	-103.26	304.41	2.83	-100.43
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)=C1	REAL300000410676	1	32	-2.0	-110.84	307.98	2.92	-107.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)=C(F)C(Cl)=C1F	REAL300000410685	1	29	-2.0	-93.43	308.55	2.79	-90.64
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)C([N+](=O)[O-])=C1	REAL300000410691	1	34	-2.0	-101.16	321.77	4.49	-96.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)=C1[N+](=O)[O-]	REAL300000410693	1	31	-2.0	-113.15	306.67	4.08	-109.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)=C1F	REAL300000410694	1	29	-2.0	-110.36	286.57	2.25	-108.11
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)=C1	REAL300000410697	0	28	-2.0	-103.43	279.15	0.34	-103.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)=C(Cl)O1	REAL300000410699	1	26	-2.0	-93.50	283.04	1.19	-92.31
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)=C1	REAL300000410701	1	32	-2.0	-97.28	326.26	-0.73	-98.01
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2F)C=C(C(=O)[O-])O1	REAL300000410704	1	32	-2.0	-98.94	305.07	2.21	-96.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=CC=C1F	REAL300000410713	1	35	-2.0	-110.29	329.78	5.28	-105.01
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=CNN=C1	REAL300000410714	0	43	-2.0	-109.69	384.89	6.33	-103.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1	REAL300000410715	1	35	-2.0	-99.67	325.25	5.26	-94.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410716	1	35	-2.0	-113.01	325.27	5.25	-107.76
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=CNN=C1	REAL300000410717	0	39	-2.0	-117.79	353.41	5.05	-112.74
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1	REAL300000410718	1	39	-2.0	-98.13	356.72	6.54	-91.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1C(=O)[O-]	REAL300000410719	1	38	-2.0	-112.42	341.28	5.78	-106.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1C	REAL300000410720	1	41	-2.0	-115.28	358.38	6.57	-108.71
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410721	0	35	-2.0	-109.49	330.74	5.31	-104.18
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1	REAL300000410722	1	41	-2.0	-97.54	368.84	6.83	-90.71
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410723	0	32	-2.0	-107.18	318.45	4.26	-102.92
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=CNN=C1	REAL300000410724	1	38	-2.0	-113.18	340.71	6.02	-107.16
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1	REAL300000410725	1	39	-2.0	-96.93	356.34	5.52	-91.41
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1C(=O)[O-]	REAL300000410726	0	36	-2.0	-111.21	331.90	4.59	-106.62
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=CNN=C1	REAL300000410727	1	39	-2.0	-113.70	349.05	4.09	-109.61
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410728	0	35	-2.0	-102.44	334.40	4.94	-97.50
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1C(=O)[O-]	REAL300000410729	1	41	-2.0	-115.86	360.71	6.65	-109.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=CS1	REAL300000410730	0	32	-2.0	-108.52	316.91	4.28	-104.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1C(=O)[O-]	REAL300000410731	1	39	-2.0	-118.94	352.55	5.32	-113.62
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410732	1	45	-2.0	-117.49	380.50	7.88	-109.61
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=CNN=C1	REAL300000410733	1	44	-2.0	-115.30	379.17	7.25	-108.05
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=CNN=C1	REAL300000410734	1	41	-2.0	-110.75	354.61	6.91	-103.84
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=CNN=C1	REAL300000410735	0	42	-2.0	-118.83	375.70	5.81	-113.02
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410736	0	38	-2.0	-108.92	350.61	5.74	-103.18
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410736	1	37	-3.0	-189.98	353.67	5.81	-184.17
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410737	1	42	-2.0	-117.82	369.51	7.13	-110.69
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C(C(=O)[O-])O1	REAL300000410738	0	35	-2.0	-106.67	328.25	4.38	-102.29
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410739	0	39	-2.0	-112.07	354.26	4.34	-107.73
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=CNN=C3)C=C2C1	REAL300000410740	1	43	-2.0	-98.23	378.18	5.85	-92.38
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=CC=C1OCC(=O)[O-]	REAL300000410741	1	42	-2.0	-97.52	376.42	6.24	-91.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=CNN=C1	REAL300000410742	0	38	-2.0	-103.86	345.98	6.05	-97.81
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1F	REAL300000410743	1	39	-2.0	-96.44	362.54	5.60	-90.84
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1C(=O)[O-]	REAL300000410744	1	42	-2.0	-117.76	374.38	6.23	-111.53
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C(C(=O)[O-])S1	REAL300000410745	0	35	-2.0	-109.75	333.89	5.14	-104.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C(Cl)=C1	REAL300000410746	0	35	-2.0	-96.75	338.32	5.81	-90.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1F	REAL300000410747	1	35	-2.0	-98.94	329.80	5.29	-93.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)S1	REAL300000410748	0	32	-2.0	-101.20	317.53	4.37	-96.83
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410749	0	35	-2.0	-102.36	331.67	5.32	-97.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1F	REAL300000410750	0	38	-2.0	-111.15	351.02	5.94	-105.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C(F)=C1	REAL300000410751	0	35	-2.0	-98.88	330.73	5.32	-93.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1Cl	REAL300000410752	1	35	-2.0	-97.06	337.76	5.65	-91.41
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=CNN=C1	REAL300000410753	1	38	-2.0	-105.52	354.72	6.44	-99.08
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1	REAL300000410754	0	43	-2.0	-94.67	389.00	6.66	-88.01
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410755	0	37	-2.0	-96.61	353.45	5.92	-90.69
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410756	0	36	-2.0	-111.85	334.98	2.96	-108.89
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410756	1	36	-2.0	-105.80	327.45	3.79	-102.01
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1	REAL300000410757	1	38	-2.0	-102.69	347.44	6.02	-96.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=CC(Cl)=C1F	REAL300000410758	1	35	-2.0	-103.29	345.97	5.78	-97.51
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=CNN=C1	REAL300000410759	1	38	-2.0	-107.34	335.31	5.87	-101.47
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=CC(C(=O)[O-])=C1F	REAL300000410760	1	38	-2.0	-110.10	350.09	5.90	-104.20
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=CNN=C1	REAL300000410761	1	38	-2.0	-99.72	340.68	6.01	-93.71
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=CC(C(=O)[O-])=C1C	REAL300000410762	1	41	-2.0	-116.42	358.15	6.32	-110.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=CC=C1[N+](=O)[O-]	REAL300000410763	0	37	-2.0	-109.37	351.82	6.35	-103.02
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410764	0	35	-2.0	-101.18	337.00	5.38	-95.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C(C)=C1C(=O)[O-]	REAL300000410765	1	41	-2.0	-112.03	358.80	6.65	-105.38
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1C(=O)[O-]	REAL300000410766	0	38	-2.0	-111.90	350.58	5.94	-105.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1Cl	REAL300000410767	0	38	-2.0	-109.58	357.05	6.39	-103.19
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410768	0	38	-2.0	-115.91	350.30	5.94	-109.97
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1C(=O)[O-]	REAL300000410769	1	41	-2.0	-113.09	359.59	6.44	-106.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1CC(=O)[O-]	REAL300000410770	1	42	-2.0	-116.13	375.74	5.38	-110.75
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=CNN=C1	REAL300000410771	1	38	-2.0	-100.96	351.53	6.42	-94.54
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=CC(C(=O)[O-])=C1Cl	REAL300000410772	1	38	-2.0	-108.93	356.49	6.21	-102.72
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1C(=O)[O-]	REAL300000410773	0	39	-2.0	-111.17	353.28	5.46	-105.71
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1C(=O)[O-]	REAL300000410774	1	38	-2.0	-106.35	355.13	6.22	-100.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=CC=C1C(=O)[O-]	REAL300000410775	1	38	-2.0	-99.86	341.26	5.79	-94.07
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=CNN=C1	REAL300000410776	1	38	-2.0	-110.75	344.79	6.08	-104.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1[N+](=O)[O-]	REAL300000410777	0	37	-2.0	-117.25	348.99	7.11	-110.14
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1F	REAL300000410778	0	35	-2.0	-114.95	328.90	5.27	-109.68
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C1C(=O)[O-]	REAL300000410779	1	38	-2.0	-104.58	346.44	5.82	-98.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=CC2=CC=CC=C21	REAL300000410780	1	41	-2.0	-119.63	366.30	7.37	-112.26
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C1	REAL300000410781	0	34	-2.0	-109.31	321.47	3.36	-105.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=CNN=C1	REAL300000410782	0	39	-2.0	-103.79	353.47	5.04	-98.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)=C(Cl)O1	REAL300000410783	0	32	-2.0	-100.44	325.35	4.22	-96.22
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=CNN=C3)C=C2)CC1	REAL300000410784	1	42	-2.0	-105.87	371.40	7.13	-98.74
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=CNN=C3)C=C2C1	REAL300000410785	1	42	-2.0	-107.76	370.71	7.13	-100.63
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CNN=C2)C=C(C(=O)[O-])O1	REAL300000410786	0	38	-2.0	-106.28	347.39	5.24	-101.04
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000410787	0	40	-2.0	-97.00	368.80	4.43	-92.57
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000410788	0	33	-2.0	-114.56	315.36	5.80	-108.76
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1C(C)=O	REAL300000410789	0	41	-2.0	-114.62	371.94	6.93	-107.69
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000410790	0	33	-2.0	-104.45	310.82	5.78	-98.67
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000410791	0	33	-2.0	-117.69	312.32	5.84	-111.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1C(C)=O	REAL300000410792	0	37	-2.0	-122.36	338.97	5.56	-116.80
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000410793	0	37	-2.0	-103.33	343.79	7.14	-96.19
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000410794	0	36	-2.0	-119.07	328.34	6.38	-112.69
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000410795	0	33	-2.0	-111.95	323.19	6.32	-105.63
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000410796	0	33	-2.0	-112.72	322.63	6.14	-106.58
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000410797	0	39	-2.0	-119.76	342.77	7.10	-112.66
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000410798	0	33	-2.0	-114.48	316.28	5.83	-108.65
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000410799	0	39	-2.0	-102.59	354.40	7.36	-95.23
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000410800	0	30	-2.0	-111.59	303.30	4.76	-106.83
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000410801	0	36	-2.0	-117.46	327.75	6.64	-110.82
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000410802	0	37	-2.0	-102.03	343.41	6.13	-95.90
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000410803	0	34	-2.0	-115.93	318.97	5.20	-110.73
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000410804	0	37	-2.0	-117.77	334.60	4.61	-113.16
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000410805	0	33	-2.0	-107.49	319.22	5.43	-102.06
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000410806	0	39	-2.0	-118.32	341.63	7.08	-111.24
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000410807	0	30	-2.0	-112.55	301.76	4.78	-107.77
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2C(C)=O)=CC(C(=O)[O-])=C1OC	REAL300000410808	0	41	-2.0	-117.90	369.15	5.58	-112.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2C(C)=O)C=C1C(=O)[O-]	REAL300000410809	0	37	-2.0	-123.52	338.11	5.83	-117.69
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000410810	0	43	-2.0	-121.84	365.34	8.38	-113.46
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000410811	0	42	-2.0	-119.26	365.55	7.86	-111.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1C(C)=O	REAL300000410812	0	39	-2.0	-114.05	336.45	7.43	-106.62
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1C(C)=O	REAL300000410813	0	40	-2.0	-123.49	361.26	6.33	-117.16
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000410814	0	35	-3.0	-196.09	340.73	6.41	-189.68
CC(=O)C1=CC=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000410814	1	36	-2.0	-113.38	337.48	6.31	-107.07
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000410815	0	40	-2.0	-122.20	354.35	7.64	-114.56
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000410816	0	33	-2.0	-110.47	313.12	4.89	-105.58
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000410817	0	39	-2.0	-122.90	354.50	5.62	-117.28
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000410818	0	37	-2.0	-118.70	339.03	4.85	-113.85
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000410819	0	41	-2.0	-102.84	365.25	6.45	-96.39
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000410820	0	33	-2.0	-108.32	327.70	6.34	-101.98
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000410821	0	40	-2.0	-102.65	363.48	6.84	-95.81
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000410822	0	36	-2.0	-107.82	330.81	6.57	-101.25
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000410823	0	37	-2.0	-101.14	348.12	6.11	-95.03
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2C(C)=O)C=C1C(=O)[O-]	REAL300000410824	0	40	-2.0	-124.20	359.97	6.74	-117.46
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000410825	0	33	-2.0	-113.55	320.51	5.66	-107.89
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000410826	0	33	-2.0	-101.22	323.16	6.31	-94.91
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000410827	0	33	-2.0	-103.48	314.63	5.79	-97.69
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000410828	0	30	-2.0	-106.39	303.08	4.90	-101.49
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000410829	0	33	-2.0	-108.30	318.74	5.91	-102.39
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000410830	0	36	-2.0	-116.10	335.85	6.45	-109.65
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000410831	0	33	-2.0	-104.28	317.78	5.92	-98.36
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000410832	0	33	-2.0	-102.07	324.82	6.25	-95.82
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000410833	0	36	-2.0	-109.67	341.77	7.06	-102.61
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000410834	0	41	-2.0	-99.67	376.07	7.26	-92.41
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000410835	0	33	-2.0	-105.83	320.94	5.84	-99.99
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000410836	0	35	-2.0	-102.30	340.52	6.51	-95.79
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000410837	0	34	-2.0	-115.82	322.04	3.55	-112.27
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000410837	1	33	-3.0	-218.84	316.96	4.37	-214.47
CC(=O)C1=CC=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000410837	1	34	-2.0	-121.49	315.81	3.95	-117.54
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000410838	0	36	-2.0	-107.99	333.01	6.55	-101.44
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000410839	0	33	-2.0	-107.41	330.82	6.28	-101.13
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000410840	0	36	-2.0	-114.04	322.36	6.49	-107.55
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000410841	0	36	-2.0	-115.64	334.95	6.40	-109.24
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000410842	0	36	-2.0	-104.09	326.23	6.55	-97.54
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000410843	0	39	-2.0	-120.96	344.28	6.85	-114.11
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000410844	0	35	-2.0	-115.16	337.40	6.85	-108.31
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000410845	0	33	-2.0	-106.14	322.56	5.89	-100.25
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000410846	0	39	-2.0	-118.55	344.35	7.17	-111.38
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000410847	0	36	-2.0	-117.11	337.64	6.54	-110.57
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000410848	0	36	-2.0	-114.02	341.89	6.89	-107.13
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000410849	0	36	-2.0	-123.41	337.35	6.54	-116.87
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2C(C)=O)C=C1C(=O)[O-]	REAL300000410850	0	39	-2.0	-119.81	345.14	6.95	-112.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2C(C)=O)C=C1CC(=O)[O-]	REAL300000410851	0	40	-2.0	-118.88	362.80	5.98	-112.90
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000410852	0	36	-2.0	-107.07	338.58	7.03	-100.04
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000410853	0	36	-2.0	-115.37	343.55	6.80	-108.57
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2C(C)=O)C=C1C(=O)[O-]	REAL300000410854	0	37	-2.0	-117.29	340.27	6.05	-111.24
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000410855	0	45	-2.0	-118.58	377.47	8.71	-109.87
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000410856	0	36	-2.0	-111.68	344.04	6.83	-104.85
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000410857	0	42	-2.0	-112.44	358.54	7.95	-104.49
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000410858	0	36	-2.0	-104.77	326.83	6.31	-98.46
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000410859	0	38	-2.0	-108.39	355.57	8.05	-100.34
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000410860	0	36	-2.0	-114.61	330.35	6.61	-108.00
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000410861	0	35	-2.0	-124.58	336.06	7.70	-116.88
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000410862	0	33	-2.0	-122.43	315.95	5.87	-116.56
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000410863	0	36	-2.0	-110.14	335.78	6.44	-103.70
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000410864	0	39	-2.0	-126.61	351.86	7.89	-118.72
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000410865	0	32	-2.0	-113.73	307.08	3.81	-109.92
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1C(C)=O	REAL300000410866	0	37	-2.0	-108.68	339.02	5.57	-103.11
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000410867	0	30	-2.0	-104.40	310.21	4.72	-99.68
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000410868	0	40	-2.0	-111.30	356.92	7.69	-103.61
CC(=O)C1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000410869	0	40	-2.0	-114.96	354.90	7.64	-107.32
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2C(C)=O)C=C(C(=O)[O-])O1	REAL300000410870	0	36	-2.0	-109.33	330.64	5.83	-103.50
CC(=O)C1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000410871	0	33	-2.0	-98.88	325.71	6.33	-92.55
CC(=O)C1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000410872	0	33	-2.0	-111.60	327.22	6.40	-105.20
CC(=O)C1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000410873	0	32	-2.0	-109.35	321.16	4.43	-104.92
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410874	1	34	-2.0	-98.69	325.74	5.77	-92.92
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000410875	1	34	-2.0	-89.49	321.18	5.76	-83.73
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410876	1	34	-2.0	-100.58	321.20	5.74	-94.84
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1[N+](=O)[O-]	REAL300000410877	0	38	-2.0	-104.61	349.34	5.53	-99.08
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000410878	1	38	-2.0	-89.12	352.65	7.04	-82.08
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410879	1	37	-2.0	-102.95	341.27	6.39	-96.56
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1[N+](=O)[O-]	REAL300000410880	0	34	-2.0	-95.67	334.27	6.32	-89.35
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410881	1	34	-2.0	-96.76	333.72	6.14	-90.62
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1[N+](=O)[O-]	REAL300000410882	1	40	-2.0	-102.55	353.88	7.10	-95.45
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1[N+](=O)[O-]	REAL300000410883	0	34	-2.0	-96.85	326.67	5.81	-91.04
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000410884	1	40	-2.0	-87.82	364.76	7.34	-80.48
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1[N+](=O)[O-]	REAL300000410885	0	31	-2.0	-95.35	314.38	4.76	-90.59
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1[N+](=O)[O-]	REAL300000410886	1	37	-2.0	-100.58	336.63	6.53	-94.05
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000410887	1	38	-2.0	-87.77	352.28	6.03	-81.74
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410888	0	35	-2.0	-99.22	327.84	5.11	-94.11
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1[N+](=O)[O-]	REAL300000410890	0	34	-2.0	-91.77	330.31	5.43	-86.34
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1[N+](=O)[O-]	REAL300000410891	1	40	-2.0	-101.58	352.66	7.06	-94.52
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410892	0	31	-2.0	-96.75	312.85	4.78	-91.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000410893	1	38	-2.0	-106.45	348.49	5.82	-100.63
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1[N+](=O)[O-]	REAL300000410894	1	43	-2.0	-102.34	375.10	7.75	-94.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300000410895	1	40	-2.0	-99.01	351.34	7.46	-91.55
COC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1[N+](=O)[O-]	REAL300000410896	0	41	-2.0	-105.86	371.63	6.31	-99.55
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410897	0	37	-2.0	-111.06	352.07	6.30	-104.76
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410897	1	36	-3.0	-174.76	349.60	6.31	-168.45
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1[N+](=O)[O-]	REAL300000410898	1	41	-2.0	-104.26	365.44	7.65	-96.61
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410899	0	34	-2.0	-94.79	324.20	4.88	-89.91
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1[N+](=O)[O-]	REAL300000410900	0	38	-2.0	-102.10	350.19	4.83	-97.27
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1[N+](=O)[O-]	REAL300000410901	1	41	-2.0	-88.12	372.35	6.73	-81.39
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1[N+](=O)[O-]	REAL300000410902	1	37	-2.0	-91.96	341.91	6.56	-85.40
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000410903	1	41	-2.0	-107.06	370.33	6.72	-100.34
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410904	0	34	-2.0	-97.58	329.80	5.64	-91.94
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1[N+](=O)[O-]	REAL300000410905	0	34	-2.0	-87.26	334.25	6.31	-80.95
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000410906	1	34	-2.0	-89.29	325.72	5.78	-83.51
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1[N+](=O)[O-]	REAL300000410907	0	31	-2.0	-90.75	313.47	4.87	-85.88
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410908	1	34	-2.0	-92.03	327.60	5.82	-86.21
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1[N+](=O)[O-]	REAL300000410909	0	37	-2.0	-98.09	346.96	6.45	-91.64
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1[N+](=O)[O-]	REAL300000410910	0	34	-2.0	-88.70	326.66	5.81	-82.89
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1[N+](=O)[O-]	REAL300000410911	1	34	-2.0	-87.15	333.70	6.16	-80.99
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410912	1	34	-2.0	-90.79	332.02	5.84	-84.95
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410913	0	36	-2.0	-86.65	349.39	6.41	-80.24
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1[N+](=O)[O-]	REAL300000410914	0	35	-2.0	-99.17	330.91	3.46	-95.71
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1[N+](=O)[O-]	REAL300000410914	1	35	-2.0	-103.31	330.10	4.25	-99.06
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000410915	1	37	-2.0	-91.57	343.37	6.53	-85.04
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000410916	1	37	-2.0	-97.91	331.27	6.39	-91.52
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410917	1	37	-2.0	-99.87	346.03	6.39	-93.48
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1[N+](=O)[O-]	REAL300000410918	1	37	-2.0	-89.62	336.61	6.52	-83.10
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410919	1	40	-2.0	-104.76	358.00	6.91	-97.85
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410920	0	36	-2.0	-100.36	347.76	6.83	-93.53
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1[N+](=O)[O-]	REAL300000410921	0	34	-2.0	-89.29	332.95	5.87	-83.42
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000410922	1	40	-2.0	-102.18	355.68	7.13	-95.05
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1[N+](=O)[O-]	REAL300000410923	0	37	-2.0	-97.76	342.68	6.34	-91.42
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1[N+](=O)[O-]	REAL300000410924	0	37	-2.0	-106.25	346.21	6.44	-99.81
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000410925	1	40	-2.0	-102.12	355.43	6.93	-95.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C([N+](=O)[O-])=C2)C=C1CC(=O)[O-]	REAL300000410926	1	41	-2.0	-101.40	371.66	5.86	-95.54
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000410927	0	38	-2.0	-100.47	349.23	5.95	-94.52
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1[N+](=O)[O-]	REAL300000410928	1	37	-2.0	-89.38	337.20	6.29	-83.09
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1[N+](=O)[O-]	REAL300000410929	1	37	-2.0	-98.55	341.15	6.56	-91.99
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300000410930	0	36	-2.0	-108.81	344.92	7.59	-101.22
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1[N+](=O)[O-]	REAL300000410931	0	34	-2.0	-105.58	324.81	5.77	-99.81
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410932	1	37	-2.0	-93.70	346.13	6.42	-87.28
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1[N+](=O)[O-]	REAL300000410933	0	33	-2.0	-96.55	318.19	3.80	-92.75
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1[N+](=O)[O-]	REAL300000410934	0	38	-2.0	-93.02	349.40	5.54	-87.48
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000410935	0	31	-2.0	-89.13	321.34	4.72	-84.41
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1[N+](=O)[O-]	REAL300000410936	1	41	-2.0	-95.02	367.32	7.64	-87.38
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1[N+](=O)[O-]	REAL300000410937	1	41	-2.0	-99.62	366.64	7.63	-91.99
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C([N+](=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000410938	0	37	-2.0	-94.48	343.33	5.74	-88.74
CC(C)(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000410939	1	41	-2.0	-89.02	361.68	6.46	-82.56
CC(C)(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000410940	1	41	-2.0	-101.08	361.72	6.45	-94.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000410941	1	44	-2.0	-101.57	377.73	6.98	-94.59
CC(C)(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000410942	0	38	-2.0	-95.46	354.90	5.46	-90.00
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(OC(C)(C)C)C(F)=C1	REAL300000410943	1	44	-2.0	-102.54	377.14	7.23	-95.31
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000410944	0	42	-2.0	-99.50	368.36	5.80	-93.70
CC(C)(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000410945	0	38	-2.0	-96.59	353.36	5.48	-91.11
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)(C)C)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000410946	0	41	-2.0	-95.52	364.72	5.58	-89.94
CC(C)(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000410947	0	38	-2.0	-90.52	353.99	5.58	-84.94
CC(C)(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000410948	1	44	-2.0	-92.74	383.90	7.22	-85.52
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC(C)(C)C)C(F)=C1	REAL300000410949	1	44	-2.0	-98.04	375.55	7.19	-90.85
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC(C)(C)C)C(F)=C1	REAL300000410950	1	44	-2.0	-89.56	377.12	7.22	-82.34
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)(C)C)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000410951	1	44	-2.0	-90.63	381.78	7.08	-83.55
CC(C)(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000410952	0	40	-2.0	-98.24	358.71	4.48	-93.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)=CC=C1F	REAL300000410953	1	32	-2.0	-103.40	325.48	5.17	-98.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)C=C1	REAL300000410954	1	32	-2.0	-93.66	320.92	5.14	-88.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)=C1	REAL300000410955	1	32	-2.0	-105.72	320.95	5.13	-100.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000410956	1	35	-2.0	-108.20	341.01	5.78	-102.42
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)=C1	REAL300000410957	0	32	-2.0	-102.65	326.42	5.20	-97.45
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)=C1	REAL300000410958	0	29	-2.0	-100.18	314.13	4.15	-96.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(OC(F)F)=C1	REAL300000410959	1	35	-2.0	-106.23	336.38	5.92	-100.31
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000410960	0	33	-2.0	-104.23	327.59	4.48	-99.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)=C1	REAL300000410961	0	32	-2.0	-96.39	330.06	4.82	-91.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)=CS1	REAL300000410962	0	29	-2.0	-101.65	312.59	4.17	-97.48
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000410963	0	32	-2.0	-99.61	323.95	4.27	-95.34
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000410964	0	32	-2.0	-102.86	329.54	5.03	-97.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)C=C1F	REAL300000410965	1	32	-2.0	-93.23	325.47	5.18	-88.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)S1	REAL300000410966	0	29	-2.0	-95.22	313.22	4.27	-90.95
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)=C1	REAL300000410967	1	32	-2.0	-96.76	327.35	5.20	-91.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)C(F)=C1	REAL300000410968	0	32	-2.0	-93.11	326.41	5.21	-87.90
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)=C1	REAL300000410969	0	33	-2.0	-104.99	330.66	2.85	-102.14
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)=C1	REAL300000410969	1	33	-2.0	-103.30	319.67	3.74	-99.56
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)C=C1	REAL300000410970	1	35	-2.0	-96.87	343.11	5.92	-90.95
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(OC(F)F)=C1	REAL300000410971	1	35	-2.0	-102.39	331.01	5.77	-96.62
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(OC(F)F)=C1	REAL300000410972	1	35	-2.0	-93.88	336.36	5.91	-87.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000410973	0	36	-2.0	-105.44	348.96	5.35	-100.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000410974	1	35	-2.0	-93.73	336.95	5.68	-88.05
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)=C1F	REAL300000410975	0	32	-2.0	-110.22	324.56	5.16	-105.06
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)=C1	REAL300000410976	0	31	-2.0	-102.38	317.93	3.19	-99.19
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000410977	0	35	-2.0	-99.46	343.08	5.12	-94.34
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)SC(C2=CC=CC=C2)=N1	REAL300000410978	0	37	-2.0	-104.75	359.32	6.65	-98.10
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)SC(C2=CC=CC=C2)=N1	REAL300000410979	0	37	-2.0	-94.77	354.78	6.63	-88.14
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)SC(C2=CC=CC=C2)=N1	REAL300000410980	0	37	-2.0	-107.14	354.78	6.62	-100.52
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)SC(C2=CC=CC=C2)=N1	REAL300000410981	0	40	-2.0	-108.21	370.81	7.15	-101.06
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)SC(C2=CC=CC=C2)=N1	REAL300000410982	0	37	-2.0	-104.30	360.26	6.68	-97.62
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)SC(C2=CC=CC=C2)=N1	REAL300000410983	0	34	-2.0	-101.31	347.97	5.63	-95.68
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)SC(C2=CC=CC=C2)=N1	REAL300000410984	0	40	-2.0	-108.09	370.22	7.40	-100.69
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)SC(C2=CC=CC=C2)=N1	REAL300000410985	0	38	-2.0	-105.31	361.42	5.96	-99.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)N=C(C3=CC=CC=C3)S2)=C1	REAL300000410986	0	37	-2.0	-97.44	363.92	6.30	-91.14
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)SC(C2=CC=CC=C2)=N1	REAL300000410987	0	34	-2.0	-102.91	346.43	5.65	-97.26
CC1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)SC(C2=CC=CC=C2)=N1	REAL300000410988	0	37	-2.0	-100.86	357.79	5.75	-95.11
CC1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)SC(C2=CC=CC=C2)=N1	REAL300000410989	0	37	-2.0	-104.49	363.41	6.52	-97.97
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)SC(C2=CC=CC=C2)=N1	REAL300000410990	0	37	-2.0	-94.37	359.30	6.66	-87.71
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)SC(C2=CC=CC=C2)=N1	REAL300000410991	0	34	-2.0	-96.39	347.04	5.75	-90.64
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)SC(C2=CC=CC=C2)=N1	REAL300000410992	0	37	-2.0	-98.09	361.19	6.68	-91.41
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)SC(C2=CC=CC=C2)=N1	REAL300000410993	0	37	-2.0	-94.12	360.25	6.69	-87.43
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)SC(C2=CC=CC=C2)=N1	REAL300000410994	0	38	-2.0	-106.96	364.50	4.33	-102.63
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)SC(C2=CC=CC=C2)=N1	REAL300000410995	0	40	-2.0	-98.12	376.96	7.40	-90.72
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)SC(C2=CC=CC=C2)=N1	REAL300000410996	0	40	-2.0	-103.57	364.82	7.25	-96.32
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)SC(C2=CC=CC=C2)=N1	REAL300000410997	0	40	-2.0	-95.00	370.20	7.39	-87.61
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N=C(C3=CC=CC=C3)S2)C=C1C(=O)[O-]	REAL300000410998	0	41	-2.0	-106.55	382.73	6.83	-99.72
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)SC(C2=CC=CC=C2)=N1	REAL300000410999	0	40	-2.0	-94.82	370.79	7.16	-87.66
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)SC(C2=CC=CC=C2)=N1	REAL300000411000	0	37	-2.0	-111.45	358.42	6.64	-104.81
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)SC(C2=CC=CC=C2)=N1	REAL300000411001	0	36	-2.0	-104.71	350.99	4.74	-99.97
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)SC(C2=CC=CC=C2)=N1	REAL300000411002	0	34	-2.0	-94.83	354.88	5.60	-89.23
CCC1=C(S(=O)(=O)[N-]C2=C(C)N=C(C3=CC=CC=C3)S2)C=C(C(=O)[O-])O1	REAL300000411003	0	40	-2.0	-100.71	376.91	6.60	-94.11
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000411004	0	40	-2.0	-86.55	375.64	-0.88	-87.43
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000411005	0	33	-2.0	-101.83	323.73	0.56	-101.27
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000411005	1	32	-3.0	-207.05	321.70	-0.35	-207.40
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000411006	0	41	-2.0	-102.09	378.80	1.63	-100.46
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000411007	0	33	-2.0	-92.49	319.16	0.54	-91.95
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000411008	0	33	-2.0	-103.65	319.18	0.53	-103.12
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000411009	0	37	-2.0	-107.99	347.32	0.34	-107.65
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000411010	0	37	-2.0	-92.19	350.63	1.82	-90.37
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000411011	0	36	-2.0	-104.55	335.22	1.06	-103.49
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000411012	0	39	-2.0	-105.85	351.57	1.83	-104.02
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000411013	0	33	-2.0	-100.14	324.65	0.59	-99.55
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000411013	1	32	-3.0	-208.18	322.64	-0.32	-208.50
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000411014	0	39	-2.0	-91.19	362.74	2.12	-89.07
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000411015	0	30	-2.0	-98.41	312.36	-0.45	-98.86
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000411015	1	29	-3.0	-203.18	310.35	-1.36	-204.54
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000411016	0	36	-2.0	-104.13	334.61	1.31	-102.82
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000411017	0	37	-2.0	-90.92	350.25	0.81	-90.11
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000411018	0	34	-2.0	-102.48	325.83	-0.11	-102.59
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000411019	0	37	-2.0	-104.85	343.38	-0.66	-105.51
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000411020	0	33	-2.0	-94.77	328.29	0.22	-94.55
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000411020	1	32	-3.0	-198.15	326.28	-0.70	-198.85
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000411021	0	39	-2.0	-105.29	350.25	1.79	-103.50
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000411022	0	30	-2.0	-99.82	310.83	-0.43	-100.25
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000411022	1	29	-3.0	-205.37	308.81	-1.35	-206.72
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000411023	0	41	-2.0	-104.41	377.51	0.34	-104.07
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000411024	0	37	-2.0	-109.56	346.47	0.60	-108.96
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000411025	0	43	-2.0	-107.29	374.41	3.07	-104.22
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000411026	0	42	-2.0	-105.68	373.08	2.51	-103.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)NCC(=O)OC	REAL300000411027	0	39	-2.0	-102.71	347.40	2.08	-100.63
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000411028	0	40	-2.0	-107.22	369.61	1.10	-106.12
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000411029	0	35	-3.0	-177.05	347.60	1.09	-175.96
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000411030	0	40	-2.0	-107.62	363.43	2.42	-105.20
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000411031	0	33	-2.0	-98.10	322.18	-0.33	-98.43
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000411031	1	32	-3.0	-199.28	320.17	-1.24	-200.52
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000411032	0	39	-2.0	-108.54	361.35	0.30	-108.24
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000411032	1	38	-3.0	-217.93	359.34	-0.61	-218.54
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000411033	0	37	-2.0	-105.11	348.08	-0.37	-105.48
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000411034	0	41	-2.0	-91.89	372.81	1.15	-90.74
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000411035	0	37	-2.0	-89.76	366.29	1.35	-88.41
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000411035	1	36	-3.0	-188.78	364.26	0.44	-188.34
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000411036	0	40	-2.0	-91.30	370.33	1.52	-89.78
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000411037	0	36	-2.0	-95.54	339.89	1.34	-94.20
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000411038	0	37	-2.0	-90.82	356.49	0.88	-89.94
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000411038	1	36	-3.0	-189.09	354.46	-0.04	-189.13
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC(=O)OC)C=C1C(=O)[O-]	REAL300000411039	0	40	-2.0	-110.23	368.32	1.50	-108.73
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000411040	0	33	-2.0	-101.10	327.78	0.44	-100.66
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000411041	0	33	-2.0	-90.33	332.23	1.09	-89.24
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000411041	1	32	-3.0	-191.10	330.22	0.15	-190.95
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000411042	0	33	-2.0	-92.36	323.70	0.57	-91.79
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000411042	1	32	-3.0	-192.03	321.69	-0.34	-192.37
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000411043	0	30	-2.0	-93.75	311.45	-0.34	-94.09
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000411043	1	29	-3.0	-196.05	309.44	-1.25	-197.30
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000411044	0	33	-2.0	-95.18	325.60	0.60	-94.58
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000411044	1	32	-3.0	-200.69	323.57	-0.32	-201.01
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000411045	0	36	-2.0	-101.36	344.93	1.23	-100.13
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000411045	1	35	-3.0	-210.56	342.93	0.32	-210.24
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000411046	0	37	-2.0	-95.00	359.49	1.14	-93.86
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000411046	1	36	-3.0	-195.56	357.48	0.21	-195.35
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000411047	0	33	-2.0	-91.52	324.64	0.60	-90.92
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000411047	1	32	-3.0	-194.79	322.63	-0.31	-195.10
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000411048	0	33	-2.0	-90.26	331.67	0.93	-89.33
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000411048	1	32	-3.0	-191.07	329.66	0.02	-191.05
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000411049	0	36	-2.0	-97.09	348.62	1.73	-95.36
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000411050	0	41	-2.0	-89.21	382.92	1.94	-87.27
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000411051	0	35	-2.0	-89.71	347.38	1.20	-88.51
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000411051	1	34	-3.0	-193.61	345.37	0.29	-193.32
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000411052	0	34	-2.0	-102.87	328.89	-1.74	-104.61
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000411052	1	33	-3.0	-193.74	325.33	-0.87	-194.61
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000411053	0	36	-2.0	-95.01	341.35	1.31	-93.70
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000411054	0	33	-2.0	-95.25	339.89	1.06	-94.19
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000411054	1	32	-3.0	-198.77	337.88	0.15	-198.62
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000411055	0	36	-2.0	-100.57	329.24	1.16	-99.41
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000411056	0	36	-2.0	-103.07	344.01	1.18	-101.89
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000411057	0	36	-2.0	-92.83	334.18	1.24	-91.59
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000411058	0	39	-2.0	-107.72	355.98	1.70	-106.02
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000411059	0	35	-2.0	-103.30	345.75	1.63	-101.67
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000411059	1	34	-3.0	-204.76	343.74	0.71	-204.05
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000411060	0	33	-2.0	-92.50	330.93	0.66	-91.84
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000411060	1	32	-3.0	-198.31	328.92	-0.26	-198.57
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000411061	0	39	-2.0	-105.00	352.56	1.86	-103.14
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000411062	0	36	-2.0	-101.01	340.65	1.13	-99.88
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000411062	1	35	-3.0	-210.48	338.64	0.22	-210.26
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000411063	0	36	-2.0	-100.85	350.94	1.66	-99.19
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000411064	0	36	-2.0	-108.46	344.21	1.22	-107.24
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)NCC(=O)OC)C=C1C(=O)[O-]	REAL300000411065	0	39	-2.0	-105.06	353.46	1.72	-103.34
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000411066	0	40	-2.0	-106.70	369.65	0.66	-106.04
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000411067	0	36	-2.0	-94.16	345.44	1.65	-92.51
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000411068	0	36	-2.0	-89.39	349.30	1.33	-88.06
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000411068	1	35	-3.0	-189.53	347.28	0.43	-189.10
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000411069	0	36	-2.0	-101.46	350.40	1.49	-99.97
CCN1C=C(S(=O)(=O)[N-]NC(=O)NCC(=O)OC)C=C1C(=O)[O-]	REAL300000411070	0	37	-2.0	-103.70	347.19	0.74	-102.96
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000411071	0	45	-2.0	-104.61	383.58	3.36	-101.25
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000411072	0	36	-2.0	-97.14	349.06	1.50	-95.64
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000411073	0	37	-2.0	-104.85	359.50	1.16	-103.69
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000411073	1	36	-3.0	-210.23	357.49	0.22	-210.01
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000411074	0	36	-2.0	-92.44	335.19	1.07	-91.37
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000411075	0	38	-2.0	-97.10	359.90	2.60	-94.50
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000411075	1	37	-3.0	-201.70	360.44	1.67	-200.03
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000411076	0	36	-2.0	-102.14	339.13	1.35	-100.79
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000411077	0	35	-2.0	-110.76	342.91	2.40	-108.36
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000411077	1	34	-3.0	-222.83	340.91	1.46	-221.37
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000411078	0	33	-2.0	-107.73	322.83	0.56	-107.17
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000411078	1	32	-3.0	-219.67	320.82	-0.35	-220.02
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000411079	0	36	-2.0	-95.62	340.36	1.10	-94.52
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000411079	1	35	-3.0	-202.76	338.34	0.19	-202.57
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000411080	0	39	-2.0	-111.34	360.22	2.65	-108.69
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000411081	0	32	-2.0	-99.99	316.17	-1.42	-101.41
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000411081	1	31	-3.0	-205.93	314.15	-2.33	-208.26
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000411082	0	37	-2.0	-95.98	347.38	0.34	-95.64
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000411083	0	30	-2.0	-92.47	319.32	-0.50	-92.97
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000411083	1	29	-3.0	-192.89	317.31	-1.41	-194.30
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000411084	0	40	-2.0	-97.87	363.16	2.36	-95.51
COC(=O)CNC(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000411085	0	40	-2.0	-102.12	364.62	2.42	-99.70
CCC1=C(S(=O)(=O)[N-]NC(=O)NCC(=O)OC)C=C(C(=O)[O-])O1	REAL300000411086	0	36	-2.0	-97.95	341.33	0.46	-97.49
CCC1=C(S(=O)(=O)[N-][N-]C(=O)NCC(=O)OC)C=C(C(=O)[O-])O1	REAL300000411086	1	35	-3.0	-199.21	339.29	-0.46	-199.67
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CN=C1Br	REAL300000411087	0	30	-2.0	-100.59	304.84	4.30	-96.29
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CN=C1Br	REAL300000411088	0	30	-2.0	-90.88	300.29	4.27	-86.61
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CN=C1Br	REAL300000411089	0	30	-2.0	-102.88	300.29	4.27	-98.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CN=C1Br	REAL300000411090	0	34	-2.0	-90.98	331.76	5.57	-85.41
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Br)C(C)=C2)C=C1C(=O)[O-]	REAL300000411091	0	33	-2.0	-103.89	316.31	4.80	-99.09
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CN=C1Br	REAL300000411092	0	36	-2.0	-106.62	332.97	5.62	-101.00
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CN=C1Br	REAL300000411093	0	30	-2.0	-100.42	305.77	4.34	-96.08
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CN=C1Br	REAL300000411094	0	36	-2.0	-90.20	343.88	5.86	-84.34
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CN=C1Br	REAL300000411095	0	27	-2.0	-97.18	293.48	3.30	-93.88
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Br)C(C)=C1	REAL300000411096	0	33	-2.0	-104.57	315.73	5.06	-99.51
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CN=C1Br	REAL300000411097	0	31	-2.0	-101.25	306.94	3.63	-97.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(Br)C(C)=C2)=C1	REAL300000411098	0	30	-2.0	-93.43	309.40	3.95	-89.48
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=CN=C1Br	REAL300000411099	0	36	-2.0	-106.09	331.36	5.61	-100.48
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CN=C1Br	REAL300000411100	0	27	-2.0	-98.72	291.94	3.31	-95.41
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(Br)C(C)=C1	REAL300000411101	0	36	-2.0	-103.40	330.42	6.00	-97.40
CC1=C(S(=O)(=O)[N-]C2=CN=C(Br)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000411102	0	30	-2.0	-97.49	303.29	3.42	-94.07
CC1=C(S(=O)(=O)[N-]C2=CN=C(Br)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000411103	0	30	-2.0	-100.85	309.99	4.16	-96.69
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CN=C1Br	REAL300000411104	0	30	-2.0	-90.46	304.82	4.32	-86.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CN=C1Br	REAL300000411105	0	27	-2.0	-92.24	292.55	3.39	-88.85
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CN=C1Br	REAL300000411106	0	30	-2.0	-93.88	306.71	4.34	-89.54
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CN=C1Br	REAL300000411107	0	30	-2.0	-90.02	305.75	4.35	-85.67
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CN=C1Br	REAL300000411108	0	31	-2.0	-103.77	309.99	1.99	-101.78
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CN=C1Br	REAL300000411109	0	33	-2.0	-94.75	322.48	5.05	-89.70
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CN=C1Br	REAL300000411110	0	33	-2.0	-98.68	310.33	4.91	-93.77
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CN=C1Br	REAL300000411111	0	33	-2.0	-91.35	315.70	5.05	-86.30
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CN=C1Br	REAL300000411112	0	36	-2.0	-105.68	333.18	5.33	-100.35
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Br)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000411113	0	36	-2.0	-103.12	333.68	5.68	-97.44
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(Br)C(C)=C2)C=C1C(=O)[O-]	REAL300000411114	0	36	-2.0	-104.55	334.58	5.45	-99.10
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(Br)C(C)=C2)C=C1C(=O)[O-]	REAL300000411115	0	34	-2.0	-102.42	328.31	4.50	-97.92
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CN=C1Br	REAL300000411116	0	33	-2.0	-90.91	316.29	4.83	-86.08
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CN=C1Br	REAL300000411117	0	30	-2.0	-106.22	303.95	4.30	-101.92
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CN=C1Br	REAL300000411118	0	29	-2.0	-100.55	297.28	2.34	-98.21
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CN=C1Br	REAL300000411119	0	27	-2.0	-91.11	300.44	3.25	-87.86
CCC1=C(S(=O)(=O)[N-]C2=CN=C(Br)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000411120	0	33	-2.0	-97.56	322.41	4.27	-93.29
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1N1CCOCC1	REAL300000411125	0	44	-2.0	-106.34	378.95	5.28	-101.06
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1N1CCOCC1	REAL300000411126	0	41	-2.0	-102.89	366.66	4.23	-98.66
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1N1CCOCC1	REAL300000411128	1	45	-2.0	-107.15	380.13	4.57	-102.58
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(C)=C2)=C1	REAL300000411129	0	44	-2.0	-98.97	382.60	4.90	-94.07
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1N1CCOCC1	REAL300000411130	1	41	-2.0	-104.41	365.13	4.25	-100.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000411131	0	44	-2.0	-102.68	376.49	4.35	-98.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000411132	1	44	-2.0	-106.43	382.07	5.11	-101.32
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1N1CCOCC1	REAL300000411134	0	41	-2.0	-97.75	365.75	4.35	-93.40
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1N1CCOCC1	REAL300000411136	0	44	-2.0	-95.40	378.94	5.29	-90.11
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1N1CCOCC1	REAL300000411137	0	45	-2.0	-106.15	382.38	3.75	-102.40
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1N1CCOCC1	REAL300000411137	1	45	-2.0	-109.11	383.19	2.93	-106.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(C)=C2)C=C1C(=O)[O-]	REAL300000411141	1	48	-2.0	-108.46	401.49	5.43	-103.03
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1N1CCOCC1	REAL300000411143	0	44	-2.0	-112.66	377.14	5.26	-107.40
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1N1CCOCC1	REAL300000411144	0	43	-2.0	-106.53	369.71	3.35	-103.18
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000411145	0	47	-2.0	-102.71	395.61	5.20	-97.51
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000411150	0	41	-2.0	-108.19	378.90	6.90	-101.29
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000411151	0	38	-2.0	-104.75	366.61	5.85	-98.90
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000411153	1	42	-2.0	-106.03	380.08	6.19	-99.84
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000411154	0	41	-2.0	-100.91	382.56	6.52	-94.39
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000411155	1	38	-2.0	-106.14	365.07	5.87	-100.27
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000411156	0	41	-2.0	-101.70	376.46	5.97	-95.73
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000411157	1	41	-2.0	-104.86	382.05	6.72	-98.14
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000411159	0	38	-2.0	-97.02	365.68	5.96	-91.06
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000411160	1	41	-2.0	-101.33	379.83	6.90	-94.43
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000411161	0	41	-2.0	-97.36	378.89	6.91	-90.45
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000411162	0	42	-2.0	-107.26	383.14	4.55	-102.71
CCOC(=O)COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000411162	1	42	-2.0	-110.21	382.33	5.35	-104.86
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000411166	1	45	-2.0	-107.28	401.45	7.06	-100.22
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000411168	0	41	-2.0	-111.66	377.08	6.86	-104.80
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000411169	0	40	-2.0	-108.05	369.64	4.95	-103.10
CCOC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000411170	0	44	-2.0	-101.61	395.55	6.83	-94.78
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000411171	1	36	-2.0	-102.63	342.28	3.35	-99.28
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000411172	1	36	-2.0	-92.57	337.72	3.32	-89.25
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000411173	1	36	-2.0	-104.28	337.74	3.31	-100.97
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300000411174	0	40	-2.0	-110.68	365.88	3.11	-107.57
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000411175	1	40	-2.0	-92.29	369.19	4.61	-87.68
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000411176	1	39	-2.0	-106.70	357.14	3.94	-102.76
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000411177	1	42	-2.0	-108.70	370.41	4.66	-104.04
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000411178	0	36	-2.0	-101.97	343.20	3.38	-98.59
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000411179	1	42	-2.0	-91.98	381.29	4.91	-87.07
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000411180	0	33	-2.0	-99.03	330.91	2.33	-96.70
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000411181	1	39	-2.0	-105.94	353.16	4.10	-101.84
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1F	REAL300000411182	1	40	-2.0	-91.08	368.82	3.59	-87.49
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000411183	0	37	-2.0	-102.80	344.38	2.67	-100.13
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000411185	0	36	-2.0	-95.39	346.85	3.00	-92.39
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1F	REAL300000411186	1	42	-2.0	-106.78	368.90	4.64	-102.14
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000411187	0	33	-2.0	-100.69	329.39	2.36	-98.33
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1F	REAL300000411188	1	40	-2.0	-110.76	365.01	3.38	-107.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)OC)C(F)=C1	REAL300000411189	1	42	-2.0	-104.61	367.87	5.03	-99.58
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000411190	0	36	-2.0	-98.74	340.74	2.45	-96.29
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000411191	0	40	-2.0	-106.36	366.71	2.41	-103.95
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000411192	0	36	-2.0	-102.47	346.32	3.21	-99.26
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000411193	1	36	-2.0	-92.15	342.26	3.36	-88.79
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000411194	0	33	-2.0	-94.51	330.00	2.45	-92.06
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000411195	1	36	-2.0	-95.62	344.13	3.38	-92.24
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000411196	0	36	-2.0	-92.13	343.19	3.39	-88.74
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000411197	0	37	-2.0	-104.96	347.44	1.03	-103.93
COC(=O)NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000411197	1	37	-2.0	-104.14	346.43	1.95	-102.19
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000411198	1	39	-2.0	-96.35	359.89	4.10	-92.25
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000411199	1	39	-2.0	-101.45	347.25	3.95	-97.50
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000411200	1	39	-2.0	-93.29	353.14	4.09	-89.20
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000411201	1	42	-2.0	-109.23	373.83	4.47	-104.76
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000411202	1	42	-2.0	-105.58	372.37	4.70	-100.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000411203	1	42	-2.0	-106.60	371.56	4.50	-102.10
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000411204	0	40	-2.0	-104.03	365.76	3.53	-100.50
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000411205	1	39	-2.0	-92.50	353.46	3.86	-88.64
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000411206	0	36	-2.0	-108.23	341.39	3.35	-104.88
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000411207	0	35	-2.0	-102.35	334.72	1.37	-100.98
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000411208	0	40	-2.0	-96.96	365.93	3.11	-93.85
COC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000411209	0	33	-2.0	-92.69	337.88	2.30	-90.39
CCC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)OC)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000411210	0	39	-2.0	-99.13	359.86	3.30	-95.83
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COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411212	1	43	-2.0	-104.88	377.42	7.57	-97.31
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1	REAL300000411215	0	37	-2.0	-108.69	331.14	7.20	-101.49
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300000411216	0	40	-2.0	-99.56	362.80	6.51	-93.05
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1	REAL300000411217	0	36	-2.0	-92.19	334.49	5.56	-86.63
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=C1	REAL300000411218	1	38	-2.0	-98.59	343.50	7.31	-91.28
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C=C1	REAL300000411219	1	38	-2.0	-94.29	343.45	7.32	-86.97
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1	REAL300000411220	0	37	-2.0	-97.73	344.86	7.50	-90.23
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=C1	REAL300000411221	0	38	-2.0	-107.73	340.72	7.20	-100.53
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C=C1	REAL300000411222	0	37	-2.0	-101.49	339.12	7.62	-93.87
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000411223	0	40	-2.0	-117.70	362.34	7.39	-110.31
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000411223	1	39	-3.0	-165.95	355.63	7.51	-158.44
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1	REAL300000411225	1	46	-2.0	-100.09	385.45	6.86	-93.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000411226	1	42	-2.0	-98.73	369.53	8.22	-90.51
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411227	0	40	-2.0	-96.54	338.85	4.75	-91.79
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300000411228	1	40	-2.0	-93.74	361.39	7.92	-85.82
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000411230	0	40	-2.0	-102.57	357.54	7.38	-95.19
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411231	0	45	-2.0	-109.69	380.37	6.00	-103.69
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1OC	REAL300000411232	1	45	-2.0	-100.06	381.36	6.13	-93.93
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411234	0	39	-2.0	-91.89	335.72	5.88	-86.01
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1	REAL300000411235	1	37	-2.0	-92.97	354.55	7.90	-85.07
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000411236	0	40	-2.0	-116.06	357.81	7.36	-108.70
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000411236	1	39	-3.0	-169.02	351.11	7.48	-161.54
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300000411237	1	37	-2.0	-92.25	335.33	7.04	-85.21
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C1	REAL300000411238	0	37	-2.0	-97.53	352.50	8.01	-89.52
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300000411239	1	40	-2.0	-97.96	361.38	7.92	-90.04
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411240	1	40	-2.0	-102.44	344.05	7.59	-94.85
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C1	REAL300000411242	0	40	-2.0	-103.76	348.51	8.31	-95.45
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1	REAL300000411243	1	37	-2.0	-98.30	339.36	7.44	-90.86
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411244	1	42	-2.0	-100.41	363.10	7.32	-93.09
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411245	1	43	-2.0	-102.43	359.53	8.36	-94.07
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1	REAL300000411247	1	37	-2.0	-92.44	345.22	7.49	-84.95
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411248	1	42	-2.0	-111.37	363.90	7.32	-104.05
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411250	0	43	-2.0	-112.95	367.87	8.31	-104.64
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411251	1	46	-2.0	-96.34	399.26	8.52	-87.82
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C1	REAL300000411252	0	37	-2.0	-99.09	350.95	7.94	-91.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000411253	1	43	-2.0	-98.66	378.15	7.67	-90.99
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300000411254	1	49	-2.0	-100.92	398.86	9.24	-91.68
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411256	1	49	-2.0	-100.77	401.32	9.51	-91.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411257	0	43	-3.0	-174.96	379.25	7.29	-167.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411257	1	44	-2.0	-113.89	381.97	7.24	-106.65
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000411258	0	44	-2.0	-105.00	389.07	8.66	-96.34
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000411258	1	43	-3.0	-153.69	382.55	8.78	-144.91
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C1	REAL300000411259	0	37	-2.0	-101.99	346.24	8.24	-93.75
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1	REAL300000411260	0	34	-2.0	-94.06	331.62	6.55	-87.51
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411262	0	41	-2.0	-108.11	350.90	6.71	-101.40
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000411263	0	43	-2.0	-97.26	369.48	7.97	-89.29
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1	REAL300000411264	0	37	-2.0	-95.53	340.74	7.11	-88.42
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1	REAL300000411265	1	37	-2.0	-93.19	356.10	7.95	-85.24
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1	REAL300000411266	0	37	-2.0	-102.17	335.77	7.48	-94.69
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C=C1	REAL300000411267	1	37	-2.0	-98.21	343.93	7.54	-90.67
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300000411268	1	39	-2.0	-99.07	350.87	7.59	-91.48
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411269	1	42	-2.0	-99.16	366.34	8.36	-90.80
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C=C1	REAL300000411270	1	39	-2.0	-93.38	363.30	7.97	-85.41
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300000411271	0	34	-2.0	-99.68	314.56	5.92	-93.76
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300000411273	0	39	-2.0	-111.25	343.73	8.34	-102.91
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000411274	0	39	-3.0	-163.23	364.17	8.06	-155.17
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000411274	1	40	-2.0	-101.58	366.81	8.03	-93.55
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000411275	0	40	-2.0	-113.89	370.31	7.75	-106.14
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000411275	1	39	-3.0	-164.53	363.60	7.87	-156.66
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1	REAL300000411278	0	37	-2.0	-97.11	334.54	7.05	-90.06
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1	REAL300000411279	1	37	-2.0	-98.61	329.04	6.99	-91.62
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1	REAL300000411280	0	37	-2.0	-92.59	335.45	7.07	-85.52
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1	REAL300000411282	1	43	-2.0	-101.56	367.13	6.08	-95.48
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411284	1	52	-2.0	-103.44	414.33	10.02	-93.42
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1	REAL300000411285	1	37	-2.0	-95.25	339.36	7.44	-87.81
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C=C1	REAL300000411286	1	37	-2.0	-95.17	343.93	7.54	-87.63
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300000411287	0	39	-2.0	-90.41	350.87	7.59	-82.82
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300000411288	1	37	-2.0	-101.73	322.64	6.92	-94.81
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411289	1	44	-2.0	-107.18	378.99	5.81	-101.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)S1	REAL300000411290	0	37	-2.0	-100.64	336.46	6.73	-93.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)=C1C	REAL300000411291	0	46	-2.0	-118.02	386.09	8.77	-109.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1C	REAL300000411291	1	45	-3.0	-172.05	383.49	8.80	-163.25
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411292	0	41	-2.0	-101.23	367.63	7.23	-94.00
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1	REAL300000411293	0	39	-2.0	-102.52	357.91	8.83	-93.69
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000411294	0	39	-3.0	-164.81	356.57	7.55	-157.26
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=C1	REAL300000411295	0	34	-2.0	-92.96	345.48	7.08	-85.88
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411297	1	42	-2.0	-96.25	363.25	8.33	-87.92
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1	REAL300000411298	0	37	-2.0	-100.38	334.54	7.06	-93.32
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000411299	0	46	-2.0	-99.47	401.18	8.95	-90.52
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000411299	1	45	-3.0	-153.40	394.66	9.07	-144.33
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411300	1	47	-2.0	-107.00	399.28	6.63	-100.37
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1	REAL300000411301	1	41	-2.0	-97.39	358.38	3.75	-93.64
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411302	1	41	-2.0	-99.30	362.83	7.94	-91.36
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1	REAL300000411303	1	42	-2.0	-98.27	364.68	5.38	-92.89
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=C1	REAL300000411304	1	45	-2.0	-99.30	382.46	6.11	-93.19
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000411306	0	36	-3.0	-160.80	344.28	6.50	-154.30
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1	REAL300000411307	1	40	-2.0	-97.17	354.37	4.43	-92.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411309	0	43	-2.0	-115.37	366.00	7.84	-107.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411309	1	42	-3.0	-170.14	366.53	8.27	-161.87
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411310	0	43	-2.0	-99.68	359.33	5.96	-93.72
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1C	REAL300000411311	1	45	-2.0	-98.79	383.35	8.91	-89.88
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411312	1	43	-2.0	-96.69	377.40	7.59	-89.10
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411313	1	44	-2.0	-100.93	379.06	5.21	-95.72
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C=C1	REAL300000411314	1	42	-2.0	-101.49	376.82	1.88	-99.61
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411315	0	46	-2.0	-110.37	394.90	8.63	-101.74
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C=C1	REAL300000411316	1	41	-2.0	-100.97	357.14	3.71	-97.26
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1	REAL300000411318	1	43	-2.0	-104.06	368.59	9.20	-94.86
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=CS1	REAL300000411319	0	40	-2.0	-109.78	362.22	7.23	-102.55
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411320	1	47	-2.0	-100.23	399.20	7.43	-92.80
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000411322	0	44	-2.0	-101.09	388.68	7.65	-93.44
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300000411324	1	37	-2.0	-94.67	329.04	6.99	-87.68
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1	REAL300000411325	0	37	-2.0	-105.43	328.13	6.98	-98.45
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C1	REAL300000411326	1	42	-2.0	-97.71	365.02	7.44	-90.27
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411327	0	43	-2.0	-113.86	375.53	5.50	-108.36
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(C)CC(=O)[O-])C=C3)=C2N=C1	REAL300000411328	0	45	-2.0	-116.24	383.98	8.20	-108.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(Cl)=C1	REAL300000411330	0	40	-2.0	-101.74	357.18	8.16	-93.58
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C=C1	REAL300000411331	1	43	-2.0	-98.14	373.37	4.16	-93.98
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C=C1	REAL300000411332	1	42	-2.0	-105.51	376.82	1.88	-103.63
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)C=C1	REAL300000411333	1	45	-2.0	-98.44	385.93	7.38	-91.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C([N+](=O)[O-])=C1	REAL300000411334	0	43	-2.0	-107.83	370.65	7.59	-100.24
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C=C1	REAL300000411335	1	42	-2.0	-95.01	370.32	8.43	-86.58
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)C=C1	REAL300000411336	1	43	-2.0	-98.03	376.75	6.89	-91.14
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C=C1	REAL300000411337	1	43	-2.0	-105.44	383.33	4.44	-101.00
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C1	REAL300000411339	1	47	-2.0	-103.10	392.52	10.81	-92.29
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1	REAL300000411340	0	37	-2.0	-94.51	342.17	7.55	-86.96
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(F)=C1	REAL300000411341	0	44	-2.0	-111.11	384.48	5.87	-105.24
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C=C1	REAL300000411342	1	43	-2.0	-108.68	383.33	4.44	-104.24
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1OC	REAL300000411344	0	45	-2.0	-101.59	386.84	6.19	-95.40
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000411346	0	41	-2.0	-98.12	364.37	6.71	-91.41
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000411346	1	40	-3.0	-166.49	357.74	6.84	-159.65
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C=C1	REAL300000411347	0	37	-2.0	-107.21	340.10	6.49	-100.72
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C=C1	REAL300000411348	0	42	-2.0	-99.53	364.84	3.09	-96.44
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411349	0	44	-2.0	-117.46	377.15	6.30	-111.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1Cl	REAL300000411351	1	41	-2.0	-97.95	368.15	6.78	-91.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1F	REAL300000411352	1	41	-2.0	-97.98	358.34	6.29	-91.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000411355	1	44	-2.0	-96.63	373.23	4.38	-92.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000411356	1	45	-2.0	-98.28	384.45	4.31	-93.97
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2)C=C1	REAL300000411357	0	37	-2.0	-98.29	327.18	4.64	-93.65
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411358	1	42	-2.0	-90.37	366.34	8.38	-81.99
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CN1C	REAL300000411360	0	45	-2.0	-99.99	386.83	4.58	-95.41
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411361	1	40	-2.0	-97.81	354.85	8.22	-89.59
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(C(C)CC(=O)[O-])C=C3)C=N2)C=C1	REAL300000411363	0	47	-2.0	-99.28	404.60	8.72	-90.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411366	0	39	-3.0	-156.84	360.21	7.16	-149.68
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C=C1	REAL300000411367	1	38	-2.0	-91.56	358.85	7.74	-83.82
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C=C1	REAL300000411368	1	38	-2.0	-92.27	358.86	7.74	-84.53
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000411369	0	46	-2.0	-116.42	384.43	8.83	-107.59
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1	REAL300000411370	1	41	-2.0	-106.43	361.00	7.30	-99.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1Cl	REAL300000411371	1	40	-2.0	-98.71	358.11	8.03	-90.68
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1	REAL300000411372	0	37	-2.0	-102.05	344.31	7.48	-94.57
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411374	0	43	-2.0	-95.82	379.11	7.38	-88.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000411375	1	47	-2.0	-105.98	392.00	8.59	-97.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1F	REAL300000411376	1	40	-2.0	-98.57	349.37	7.63	-90.94
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411377	1	40	-2.0	-95.35	354.84	8.21	-87.14
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411378	0	40	-2.0	-105.68	349.54	7.65	-98.03
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411379	1	40	-2.0	-98.80	344.52	7.76	-91.04
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)C=C1	REAL300000411380	1	43	-2.0	-100.05	382.67	8.99	-91.06
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411381	0	42	-2.0	-112.04	356.07	9.23	-102.81
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C=C1	REAL300000411382	1	47	-2.0	-111.17	394.77	6.77	-104.40
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411383	0	45	-2.0	-116.61	383.90	8.21	-108.40
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000411384	0	36	-3.0	-163.45	342.75	6.52	-156.93
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000411384	1	37	-2.0	-97.41	345.44	6.49	-90.92
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C=C1	REAL300000411385	0	39	-2.0	-89.99	363.99	8.16	-81.83
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000411386	0	44	-2.0	-122.62	385.08	7.42	-115.20
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C2=CC=CN=C2C=C1	REAL300000411387	1	45	-2.0	-101.85	372.71	8.31	-93.54
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC=C1O	REAL300000411388	1	44	-2.0	-98.14	386.23	5.61	-92.53
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1	REAL300000411389	0	39	-2.0	-105.61	347.58	8.37	-97.24
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300000411390	1	47	-2.0	-101.64	396.82	10.34	-91.30
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C1	REAL300000411391	0	39	-2.0	-107.87	355.97	8.29	-99.58
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411392	0	46	-2.0	-110.09	402.66	5.45	-104.64
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411395	0	41	-2.0	-103.90	353.82	5.29	-98.61
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411395	1	41	-2.0	-93.27	352.90	6.14	-87.13
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1	REAL300000411396	0	34	-2.0	-95.72	304.22	3.32	-92.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411397	0	46	-2.0	-110.13	383.45	8.70	-101.43
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411397	1	45	-3.0	-167.02	381.24	9.20	-157.82
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C1	REAL300000411398	0	40	-2.0	-104.19	362.16	7.83	-96.36
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)S1	REAL300000411399	0	40	-2.0	-94.48	370.50	6.69	-87.79
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C	REAL300000411400	0	45	-2.0	-112.05	379.59	9.52	-102.53
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1	REAL300000411401	1	41	-2.0	-93.88	360.45	7.28	-86.60
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1	REAL300000411402	0	37	-2.0	-98.75	337.54	7.27	-91.48
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000411403	0	39	-3.0	-161.07	354.13	6.63	-154.44
CC1=C(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000411403	1	40	-2.0	-111.74	357.01	6.58	-105.16
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1	REAL300000411404	0	40	-2.0	-121.00	350.82	6.13	-114.87
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411405	0	43	-2.0	-105.63	382.90	7.64	-97.99
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411406	0	47	-2.0	-109.22	394.16	8.31	-100.91
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=C1	REAL300000411407	0	39	-2.0	-112.16	352.70	9.01	-103.15
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1	REAL300000411408	1	42	-2.0	-111.63	370.93	7.10	-104.53
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C=C1	REAL300000411409	0	36	-2.0	-92.70	338.96	5.72	-86.98
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1	REAL300000411410	0	39	-2.0	-116.07	345.33	8.46	-107.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411411	0	43	-3.0	-169.22	380.06	6.58	-162.64
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411411	1	44	-2.0	-101.49	382.74	6.56	-94.93
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1	REAL300000411412	0	44	-2.0	-99.44	383.20	8.05	-91.39
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C=C1	REAL300000411413	0	47	-2.0	-99.35	408.61	8.49	-90.86
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1	REAL300000411414	0	36	-2.0	-92.68	324.05	5.19	-87.49
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411415	0	40	-2.0	-100.25	370.69	6.59	-93.66
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411416	1	45	-2.0	-96.89	381.08	9.32	-87.57
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1	REAL300000411417	1	42	-2.0	-102.60	358.78	7.35	-95.25
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C1	REAL300000411418	0	36	-2.0	-93.09	347.79	6.06	-87.03
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C)C=N2)C=C1	REAL300000411419	0	37	-2.0	-108.66	326.65	6.02	-102.64
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(C)CC(=O)[O-])C=C3)C=C12	REAL300000411421	1	45	-2.0	-95.92	388.95	6.66	-89.26
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(C)CC(=O)[O-])C=C3)C=C12	REAL300000411422	0	41	-2.0	-92.43	362.39	3.91	-88.52
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=C1	REAL300000411423	0	37	-2.0	-90.93	338.58	5.44	-85.49
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1	REAL300000411425	0	37	-2.0	-102.85	334.43	7.05	-95.80
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(F)=C1	REAL300000411426	0	41	-2.0	-103.94	360.61	6.50	-97.44
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1	REAL300000411427	0	39	-2.0	-105.57	357.91	8.83	-96.74
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411428	0	43	-2.0	-108.45	371.41	7.88	-100.57
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411428	1	42	-3.0	-159.88	371.81	8.31	-151.57
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1	REAL300000411429	0	43	-2.0	-106.85	365.76	6.57	-100.28
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CN1C	REAL300000411430	0	40	-2.0	-110.43	346.16	5.82	-104.61
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1	REAL300000411431	0	41	-2.0	-103.79	360.65	6.97	-96.82
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411432	1	46	-2.0	-104.56	399.29	8.51	-96.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=N1	REAL300000411433	0	40	-2.0	-98.41	348.71	5.50	-92.91
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411434	1	44	-2.0	-103.46	377.71	6.64	-96.82
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411435	0	43	-2.0	-107.68	374.26	8.39	-99.29
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C=C1	REAL300000411436	0	37	-2.0	-100.12	354.73	7.03	-93.09
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1	REAL300000411437	1	42	-2.0	-99.90	358.60	6.23	-93.67
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1	REAL300000411438	0	37	-2.0	-97.54	342.17	7.56	-89.98
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=C1	REAL300000411441	1	41	-2.0	-95.35	366.93	3.78	-91.57
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411442	0	37	-2.0	-96.38	323.05	3.97	-92.41
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411443	1	41	-2.0	-103.51	352.14	6.22	-97.29
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411444	1	40	-2.0	-101.95	337.70	7.71	-94.24
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)S1	REAL300000411445	0	43	-2.0	-105.31	385.24	5.08	-100.23
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)S1	REAL300000411445	1	42	-3.0	-160.64	380.95	4.03	-156.61
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2)C=C1	REAL300000411446	0	37	-2.0	-106.93	327.48	4.46	-102.47
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C)C=C1	REAL300000411447	0	37	-2.0	-93.58	322.87	4.55	-89.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(F)=C1	REAL300000411453	0	40	-2.0	-104.89	349.55	7.67	-97.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC=C1F	REAL300000411454	1	40	-2.0	-95.19	349.36	7.62	-87.57
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1	REAL300000411455	0	34	-2.0	-106.46	303.93	4.32	-102.14
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)O1	REAL300000411456	0	40	-2.0	-95.32	362.18	5.72	-89.60
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1	REAL300000411457	0	42	-2.0	-116.39	362.57	7.56	-108.83
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1	REAL300000411458	0	37	-2.0	-92.95	340.83	7.10	-85.85
CC1=C(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)C=C(C(=O)[O-])S1	REAL300000411459	0	40	-2.0	-108.52	362.62	7.36	-101.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C(C(=O)[O-])S1	REAL300000411459	1	39	-3.0	-164.07	359.70	7.38	-156.69
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1C	REAL300000411460	1	46	-2.0	-102.55	387.49	8.23	-94.32
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411461	0	41	-2.0	-102.61	365.24	6.79	-95.82
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CN=C1Cl	REAL300000411462	0	39	-2.0	-92.94	353.28	6.14	-86.80
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411463	0	43	-2.0	-109.23	380.80	4.51	-104.72
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411465	1	46	-2.0	-106.71	399.59	8.37	-98.34
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411467	0	49	-2.0	-100.37	401.80	7.53	-92.84
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)SC=C1	REAL300000411468	0	37	-2.0	-102.21	333.37	6.56	-95.65
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1C	REAL300000411469	0	46	-2.0	-99.81	381.14	6.83	-92.98
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C	REAL300000411470	1	46	-2.0	-96.86	393.45	8.12	-88.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC=C1[N+](=O)[O-]	REAL300000411471	0	42	-2.0	-90.89	366.85	8.10	-82.79
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C1	REAL300000411474	1	45	-2.0	-113.30	382.22	5.37	-107.93
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411475	1	41	-2.0	-98.56	358.90	8.09	-90.47
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC=C1F	REAL300000411476	1	44	-2.0	-107.84	383.56	5.93	-101.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000411477	0	42	-2.0	-99.68	372.31	8.19	-91.49
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C=C1	REAL300000411478	1	49	-2.0	-99.32	374.79	9.62	-89.70
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC=C1C	REAL300000411479	1	47	-2.0	-117.79	397.24	6.72	-111.07
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411480	0	41	-2.0	-102.63	360.28	7.39	-95.24
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411481	1	41	-2.0	-94.27	358.88	8.10	-86.17
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411482	1	49	-2.0	-102.18	387.37	10.15	-92.03
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C=C1	REAL300000411484	0	38	-2.0	-96.75	348.93	7.38	-89.37
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(C)CC(=O)[O-])C=C3)C=C2O1	REAL300000411485	1	42	-2.0	-99.05	366.28	4.59	-94.46
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=N1	REAL300000411486	0	43	-2.0	-98.76	367.41	6.01	-92.75
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)C=C1	REAL300000411487	0	42	-2.0	-102.00	361.72	3.25	-98.75
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1	REAL300000411488	1	42	-2.0	-101.57	363.60	7.31	-94.26
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=N1	REAL300000411489	0	43	-2.0	-103.90	381.98	5.70	-98.20
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CN1	REAL300000411490	0	43	-2.0	-106.99	366.44	5.37	-101.62
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C=C1	REAL300000411491	0	40	-2.0	-102.61	361.91	8.69	-93.92
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300000411495	1	37	-2.0	-87.19	341.63	7.11	-80.08
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411496	1	48	-2.0	-99.00	405.25	8.77	-90.23
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CN1C	REAL300000411498	0	44	-2.0	-103.64	383.79	7.03	-96.61
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411499	1	52	-2.0	-100.84	413.06	9.71	-91.13
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000411500	0	39	-3.0	-151.83	364.15	8.05	-143.78
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000411500	1	40	-2.0	-98.44	366.78	8.03	-90.41
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000411501	0	40	-2.0	-105.98	362.08	7.41	-98.57
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000411501	1	39	-3.0	-153.15	355.63	7.53	-145.62
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411502	1	47	-2.0	-108.91	390.00	7.13	-101.78
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC(C)=C1F	REAL300000411503	1	43	-2.0	-95.90	369.66	8.26	-87.64
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000411504	0	36	-3.0	-155.61	343.36	6.61	-149.00
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411505	0	46	-2.0	-107.77	387.21	7.89	-99.88
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000411506	0	40	-2.0	-93.33	364.06	7.43	-85.90
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000411506	1	39	-3.0	-159.15	357.50	7.56	-151.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1F	REAL300000411507	0	42	-3.0	-167.63	376.87	8.18	-159.45
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CN1	REAL300000411508	0	41	-2.0	-101.69	366.03	5.28	-96.41
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000411509	0	39	-3.0	-153.47	356.56	7.56	-145.91
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000411509	1	40	-2.0	-98.10	359.19	7.53	-90.57
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000411510	0	40	-2.0	-101.80	370.05	7.77	-94.03
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000411510	1	39	-3.0	-151.58	363.60	7.89	-143.69
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411511	1	40	-2.0	-97.37	343.44	7.73	-89.64
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC=C1C	REAL300000411512	1	46	-2.0	-98.68	393.47	8.10	-90.58
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CS1	REAL300000411513	0	40	-2.0	-100.52	369.91	6.62	-93.90
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC=C1F	REAL300000411514	1	43	-2.0	-94.36	381.96	7.61	-86.75
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)S1	REAL300000411515	0	39	-2.0	-97.84	347.86	5.50	-92.34
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C=C1	REAL300000411516	1	41	-2.0	-106.87	364.88	8.10	-98.77
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411517	1	45	-2.0	-89.23	380.63	9.26	-79.97
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)=CC=C1[O-]	REAL300000411518	1	45	-2.0	-97.21	391.84	3.72	-93.49
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411521	1	43	-2.0	-102.69	365.54	8.35	-94.34
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411522	1	40	-2.0	-98.25	350.45	7.65	-90.60
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411524	0	43	-2.0	-96.16	380.52	6.38	-89.78
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=C1	REAL300000411525	1	43	-2.0	-97.71	374.03	5.98	-91.73
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000411526	0	40	-2.0	-96.33	368.64	7.45	-88.88
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000411526	1	39	-3.0	-155.78	361.93	7.58	-148.20
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C(F)C=C1F	REAL300000411528	0	40	-2.0	-97.29	354.82	7.68	-89.61
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1	REAL300000411529	1	43	-2.0	-109.04	363.68	9.24	-99.80
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1	REAL300000411530	0	39	-2.0	-98.80	354.62	6.41	-92.39
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000411531	0	40	-3.0	-168.93	360.81	5.20	-163.73
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000411531	1	40	-3.0	-166.32	360.00	5.99	-160.33
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1	REAL300000411532	1	47	-2.0	-104.97	377.96	9.56	-95.41
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000411533	0	43	-2.0	-99.69	379.78	8.14	-91.55
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000411533	1	42	-3.0	-158.49	373.26	8.26	-150.23
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)O1	REAL300000411534	0	43	-2.0	-95.35	384.04	6.65	-88.70
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1	REAL300000411535	0	39	-2.0	-91.17	357.26	7.66	-83.51
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411536	0	42	-2.0	-109.85	376.96	7.91	-101.94
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C=C1	REAL300000411537	0	40	-2.0	-107.38	365.38	7.63	-99.75
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)SC=C1	REAL300000411539	0	38	-2.0	-109.33	344.80	5.21	-104.12
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)OC2=CC=C(F)C=C12	REAL300000411540	0	43	-2.0	-98.45	375.35	8.23	-90.22
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000411541	0	40	-2.0	-102.88	352.40	7.32	-95.56
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(C)CC(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000411542	0	45	-2.0	-118.01	384.16	8.16	-109.85
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1F	REAL300000411543	0	42	-2.0	-99.53	376.67	8.29	-91.24
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411544	0	39	-2.0	-104.81	355.88	5.67	-99.14
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C=C1	REAL300000411546	0	37	-2.0	-91.43	338.66	5.84	-85.59
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C=C1	REAL300000411547	0	37	-2.0	-104.25	342.82	5.75	-98.50
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC(OC)=C1	REAL300000411548	1	45	-2.0	-104.13	381.62	5.54	-98.59
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1	REAL300000411549	0	38	-2.0	-104.88	338.47	5.67	-99.21
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1C	REAL300000411550	0	45	-2.0	-112.76	373.71	9.73	-103.03
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C=C1	REAL300000411551	0	38	-2.0	-92.41	344.85	4.76	-87.65
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)S1	REAL300000411552	0	36	-2.0	-97.58	331.16	4.75	-92.83
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411553	1	42	-2.0	-91.68	370.84	8.40	-83.28
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411554	0	43	-2.0	-97.12	363.71	8.12	-89.00
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411554	1	42	-3.0	-165.88	364.92	8.23	-157.65
CC1=CC(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1F	REAL300000411556	0	43	-2.0	-99.37	382.64	8.01	-91.36
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1F	REAL300000411556	1	42	-3.0	-165.97	375.93	8.14	-157.83
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411557	0	43	-2.0	-105.14	369.24	8.24	-96.90
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411558	0	43	-2.0	-106.67	381.68	8.05	-98.62
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C=C1	REAL300000411559	0	38	-2.0	-98.32	351.92	7.60	-90.72
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1F	REAL300000411560	0	40	-2.0	-100.55	354.85	7.69	-92.86
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC=C1[N+](=O)[O-]	REAL300000411561	0	43	-2.0	-91.07	378.15	7.67	-83.40
CC1=CC(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1C	REAL300000411562	0	46	-2.0	-97.51	390.68	8.41	-89.10
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=C1	REAL300000411563	0	40	-2.0	-98.07	367.96	8.42	-89.65
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000411566	0	39	-3.0	-157.10	362.85	7.62	-149.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC([N+](=O)[O-])=C1F	REAL300000411567	1	42	-2.0	-91.62	375.68	8.25	-83.37
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C1	REAL300000411568	0	36	-2.0	-98.14	341.60	6.38	-91.76
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411569	0	43	-2.0	-107.68	368.07	7.31	-100.37
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=N1	REAL300000411570	0	42	-2.0	-92.96	373.37	5.76	-87.20
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=C1	REAL300000411571	0	36	-2.0	-90.95	348.08	6.10	-84.85
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)C(C)=C1C(=O)[O-]	REAL300000411572	0	46	-2.0	-101.70	386.89	8.87	-92.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000411573	0	42	-3.0	-166.09	372.57	8.09	-158.00
CC1=CC(F)=C(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000411573	1	43	-2.0	-100.97	375.15	8.07	-92.90
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411574	0	42	-3.0	-172.80	376.11	8.18	-164.62
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411575	1	45	-2.0	-111.37	385.72	8.19	-103.18
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=N1	REAL300000411576	0	44	-2.0	-96.80	382.39	4.55	-92.25
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C([N+](=O)[O-])=N1	REAL300000411577	0	42	-2.0	-104.58	372.95	7.76	-96.82
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000411578	0	46	-2.0	-119.04	387.98	8.64	-110.40
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=C1	REAL300000411579	0	48	-2.0	-98.57	399.79	5.46	-93.11
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1C#N	REAL300000411582	0	41	-2.0	-108.53	359.89	7.72	-100.81
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411583	0	43	-2.0	-97.69	374.33	7.38	-90.31
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C=C1	REAL300000411584	0	46	-2.0	-100.70	395.63	8.58	-92.12
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411585	0	43	-2.0	-107.66	369.96	7.68	-99.98
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1	REAL300000411586	0	45	-2.0	-96.60	380.69	4.67	-91.93
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1F	REAL300000411588	0	40	-2.0	-106.28	348.45	7.63	-98.65
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=N1	REAL300000411589	1	43	-2.0	-94.64	371.66	4.54	-90.10
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1	REAL300000411590	0	44	-2.0	-110.40	368.42	6.97	-103.43
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411591	1	44	-2.0	-101.22	377.71	6.65	-94.57
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411592	0	42	-2.0	-105.09	361.90	3.91	-101.18
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1Cl	REAL300000411593	0	40	-2.0	-102.99	354.50	8.07	-94.92
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C(C)O1	REAL300000411595	0	40	-2.0	-99.80	345.61	6.51	-93.29
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C=C1	REAL300000411596	0	43	-2.0	-105.30	368.89	4.58	-100.72
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411598	1	44	-2.0	-100.23	369.23	6.96	-93.27
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C(C(=O)OC)O1	REAL300000411599	0	46	-2.0	-96.33	399.63	7.34	-88.99
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)O1	REAL300000411601	0	37	-2.0	-100.61	327.23	5.74	-94.87
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411602	0	40	-2.0	-101.58	356.29	7.33	-94.25
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1	REAL300000411603	1	40	-2.0	-98.15	348.68	5.59	-92.56
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C2=NC=CC=C2C=C1	REAL300000411604	0	45	-2.0	-116.87	376.28	8.74	-108.13
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1	REAL300000411605	0	43	-2.0	-110.19	371.90	8.93	-101.26
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411606	0	43	-2.0	-104.24	374.27	8.38	-95.86
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1	REAL300000411607	0	39	-2.0	-88.64	355.39	7.62	-81.02
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1	REAL300000411608	1	37	-2.0	-92.91	345.77	7.51	-85.40
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C(C)O1	REAL300000411609	0	43	-2.0	-95.63	380.47	6.49	-89.14
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1	REAL300000411610	0	36	-2.0	-92.80	334.40	5.61	-87.19
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)N=C1C	REAL300000411611	0	43	-2.0	-110.21	368.18	6.73	-103.48
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411612	0	40	-2.0	-102.54	357.18	8.15	-94.39
CCN1C=C(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000411613	0	44	-2.0	-99.53	385.52	7.57	-91.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000411613	1	43	-3.0	-167.91	379.12	7.71	-160.20
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411614	0	40	-2.0	-99.09	362.52	5.67	-93.42
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411615	0	49	-2.0	-100.99	398.78	7.50	-93.49
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CN1C	REAL300000411616	0	47	-2.0	-103.77	405.67	7.94	-95.83
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411617	1	45	-2.0	-95.75	384.52	9.00	-86.75
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1	REAL300000411618	0	37	-2.0	-105.44	338.71	7.72	-97.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(Cl)=N1	REAL300000411619	0	39	-2.0	-99.74	352.53	6.24	-93.50
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411620	0	42	-2.0	-99.77	371.68	7.12	-92.65
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1Cl	REAL300000411621	1	41	-2.0	-97.78	377.84	8.39	-89.39
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)S1	REAL300000411622	0	39	-2.0	-96.80	352.65	5.51	-91.29
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(C)CC(=O)[O-])C=C3)C=C12	REAL300000411623	0	44	-2.0	-91.83	383.87	4.64	-87.19
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)S1	REAL300000411624	0	39	-2.0	-96.15	360.76	7.26	-88.89
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CN=C1Cl	REAL300000411626	0	40	-2.0	-90.90	363.48	4.88	-86.02
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=C1	REAL300000411627	0	39	-2.0	-90.96	357.37	6.16	-84.80
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411628	1	43	-2.0	-97.98	383.82	7.65	-90.33
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411629	0	52	-2.0	-99.74	420.98	8.38	-91.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(C)=C1F	REAL300000411630	1	44	-2.0	-97.03	372.72	7.03	-90.00
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C=C1	REAL300000411631	0	38	-2.0	-94.11	356.52	7.88	-86.23
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1	REAL300000411632	0	40	-2.0	-109.56	350.57	7.24	-102.32
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411633	0	42	-2.0	-97.63	372.60	5.78	-91.85
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=C1	REAL300000411634	0	34	-2.0	-95.06	327.01	5.65	-89.41
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000411635	1	45	-2.0	-100.59	381.92	8.89	-91.70
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411636	0	47	-2.0	-107.72	386.19	8.69	-99.03
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C=C1	REAL300000411637	0	37	-2.0	-98.16	343.72	7.33	-90.83
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411641	0	37	-2.0	-94.70	351.61	7.14	-87.56
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1	REAL300000411642	1	40	-2.0	-100.65	354.82	7.80	-92.85
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1	REAL300000411643	0	40	-2.0	-97.58	361.71	5.78	-91.80
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411644	1	41	-2.0	-107.41	358.72	7.99	-99.42
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C=C1	REAL300000411645	0	45	-2.0	-95.64	392.08	8.22	-87.42
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411646	1	46	-2.0	-103.93	376.63	8.92	-95.01
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(C)=CS1	REAL300000411647	0	43	-2.0	-109.88	377.85	8.10	-101.78
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC=C1F	REAL300000411648	1	41	-2.0	-94.58	358.35	6.29	-88.29
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1	REAL300000411649	0	36	-2.0	-105.94	335.33	7.32	-98.62
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1	REAL300000411650	0	34	-2.0	-99.39	305.32	4.92	-94.47
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=NN2C)C=C1	REAL300000411651	0	36	-2.0	-88.87	317.09	3.35	-85.52
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C=C1	REAL300000411652	1	42	-2.0	-96.21	366.99	6.06	-90.15
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1	REAL300000411653	0	36	-2.0	-92.50	343.80	6.69	-85.81
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411655	1	45	-2.0	-102.72	389.81	5.14	-97.58
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1	REAL300000411656	0	41	-2.0	-103.21	350.62	6.36	-96.85
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C=C1	REAL300000411657	0	38	-2.0	-97.44	356.54	7.89	-89.55
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C1	REAL300000411658	0	40	-2.0	-98.24	366.59	6.00	-92.24
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411659	1	43	-2.0	-100.32	352.89	8.64	-91.68
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411660	0	45	-2.0	-114.18	376.61	7.44	-106.74
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411662	0	40	-2.0	-105.87	342.23	7.90	-97.97
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C=C1	REAL300000411663	0	41	-2.0	-113.06	361.02	7.00	-106.06
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411664	0	50	-2.0	-99.22	413.74	8.43	-90.79
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(C)CC(=O)[O-])C=C3)C=CC=C12	REAL300000411665	0	45	-2.0	-116.11	380.52	8.11	-108.00
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C=C1	REAL300000411667	1	41	-2.0	-104.54	373.89	4.21	-100.33
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1	REAL300000411668	0	38	-2.0	-107.12	347.41	5.23	-101.89
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411669	0	40	-2.0	-98.02	347.22	4.39	-93.63
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1)OCO2	REAL300000411671	1	43	-2.0	-97.69	364.13	6.36	-91.33
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411673	0	43	-2.0	-99.24	372.81	8.13	-91.11
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)C=C1	REAL300000411674	1	47	-2.0	-101.59	392.50	6.72	-94.87
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411675	0	46	-2.0	-113.50	389.74	9.24	-104.26
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)S1	REAL300000411677	0	40	-2.0	-104.80	367.59	4.41	-100.39
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)S1	REAL300000411677	1	39	-3.0	-160.43	364.31	3.28	-157.15
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1F	REAL300000411678	1	44	-2.0	-101.16	383.82	5.94	-95.22
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C=C1	REAL300000411679	0	42	-2.0	-102.83	379.41	2.54	-100.29
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C=C1	REAL300000411680	1	41	-2.0	-103.63	355.50	8.18	-95.45
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C=C1	REAL300000411681	1	41	-2.0	-106.93	364.91	8.08	-98.85
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C1	REAL300000411682	0	37	-2.0	-95.13	352.49	7.99	-87.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(N)=NO1	REAL300000411684	0	38	-2.0	-91.73	330.17	4.29	-87.44
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411685	0	41	-2.0	-104.44	367.62	7.23	-97.21
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1	REAL300000411686	0	38	-2.0	-96.43	350.13	5.70	-90.73
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411689	1	44	-2.0	-102.96	367.60	7.00	-95.96
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C=C1	REAL300000411692	0	35	-2.0	-92.47	335.13	6.47	-86.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=N1	REAL300000411693	0	39	-2.0	-98.50	339.25	5.74	-92.76
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1	REAL300000411694	0	42	-2.0	-100.80	363.83	7.29	-93.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(F)=C1	REAL300000411695	0	43	-2.0	-99.24	382.89	7.66	-91.58
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1F	REAL300000411696	0	43	-2.0	-95.74	381.94	7.62	-88.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC=C1C#N	REAL300000411697	1	41	-2.0	-94.00	362.62	7.82	-86.18
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1	REAL300000411698	0	36	-2.0	-87.46	340.37	5.61	-81.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(F)=C1	REAL300000411700	0	41	-2.0	-102.33	357.62	6.29	-96.04
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1[N+](=O)[O-]	REAL300000411701	0	45	-2.0	-111.88	383.42	10.11	-101.77
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1	REAL300000411703	1	40	-2.0	-99.74	356.80	7.85	-91.89
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=C1	REAL300000411704	1	47	-2.0	-105.61	396.85	10.33	-95.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)N(C)N=C1	REAL300000411706	0	40	-2.0	-94.02	338.49	5.44	-88.58
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C=C1	REAL300000411708	0	35	-2.0	-93.10	326.58	5.46	-87.64
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1	REAL300000411709	0	34	-2.0	-97.81	313.73	5.84	-91.97
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1	REAL300000411710	0	34	-2.0	-98.32	305.17	4.80	-93.52
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411711	0	48	-2.0	-109.92	405.96	6.43	-103.49
CC1=CC(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000411712	0	43	-2.0	-97.69	369.74	8.01	-89.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=N1	REAL300000411713	1	40	-2.0	-94.73	349.81	3.61	-91.12
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1	REAL300000411714	0	37	-2.0	-100.27	344.87	7.51	-92.76
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411716	1	48	-2.0	-101.66	401.21	8.06	-93.60
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411717	0	46	-2.0	-102.37	400.16	9.71	-92.66
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411718	0	46	-2.0	-102.12	395.99	9.41	-92.71
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1	REAL300000411719	0	40	-2.0	-102.69	359.20	8.29	-94.40
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)N(C)N=C1	REAL300000411720	0	46	-2.0	-100.98	393.73	6.93	-94.05
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C=C1	REAL300000411721	0	48	-2.0	-112.80	400.50	8.13	-104.67
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1	REAL300000411722	0	40	-2.0	-105.62	349.24	5.56	-100.06
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411723	1	44	-2.0	-103.52	373.99	7.15	-96.37
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1	REAL300000411724	0	37	-2.0	-101.67	344.97	7.79	-93.88
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(C)CC(=O)[O-])C=C3)C=C2C=C1	REAL300000411726	1	46	-2.0	-103.62	389.93	9.85	-93.77
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1	REAL300000411727	0	34	-2.0	-100.77	330.61	6.38	-94.39
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411728	0	37	-2.0	-99.77	336.21	6.59	-93.18
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1	REAL300000411729	0	34	-2.0	-96.30	320.92	3.73	-92.57
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1	REAL300000411730	0	36	-2.0	-95.10	329.53	5.04	-90.06
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411731	0	46	-2.0	-95.77	387.09	5.97	-89.80
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=N1	REAL300000411732	0	46	-2.0	-95.21	391.81	5.48	-89.73
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1	REAL300000411734	0	40	-2.0	-97.34	358.81	7.39	-89.95
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411735	0	42	-2.0	-109.08	363.72	6.53	-102.55
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411736	0	36	-2.0	-94.10	331.12	5.22	-88.88
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1	REAL300000411739	1	44	-2.0	-100.93	371.86	9.04	-91.89
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1	REAL300000411740	0	34	-2.0	-103.28	320.91	5.97	-97.31
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C=C1	REAL300000411741	0	40	-2.0	-99.65	361.27	5.77	-93.88
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1	REAL300000411742	1	46	-2.0	-100.56	387.44	8.53	-92.03
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C=C1	REAL300000411743	1	38	-2.0	-91.77	349.35	7.36	-84.41
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000411746	0	42	-2.0	-92.82	374.98	8.28	-84.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411747	0	43	-2.0	-111.78	373.80	8.26	-103.52
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=C1	REAL300000411748	0	38	-2.0	-98.21	355.52	6.21	-92.00
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C1	REAL300000411751	0	37	-2.0	-92.61	355.20	7.12	-85.49
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1	REAL300000411752	0	34	-2.0	-101.04	304.25	3.51	-97.53
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1	REAL300000411753	0	42	-2.0	-106.35	359.63	3.84	-102.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)S1	REAL300000411754	0	40	-2.0	-102.73	354.08	7.46	-95.27
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CN=C1C	REAL300000411755	0	45	-2.0	-93.19	388.87	6.27	-86.92
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1	REAL300000411756	0	38	-2.0	-90.88	346.03	5.78	-85.10
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411757	0	39	-2.0	-92.07	350.19	6.31	-85.76
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411758	1	46	-2.0	-107.71	399.59	8.36	-99.35
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=C1	REAL300000411759	1	39	-2.0	-91.67	362.40	6.80	-84.87
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=NN1C	REAL300000411763	0	40	-2.0	-99.94	345.54	5.14	-94.80
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411764	1	41	-2.0	-101.59	353.72	8.02	-93.57
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411765	0	40	-2.0	-99.12	346.01	5.28	-93.84
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411766	1	44	-2.0	-98.81	394.44	7.15	-91.66
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=C1	REAL300000411767	0	37	-2.0	-92.23	338.52	5.52	-86.71
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C=C1	REAL300000411769	1	42	-2.0	-98.69	369.07	4.12	-94.57
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1	REAL300000411771	0	37	-2.0	-96.85	338.31	4.45	-92.40
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C1	REAL300000411772	0	43	-2.0	-94.37	368.93	6.85	-87.52
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C=C1	REAL300000411774	1	44	-2.0	-106.64	378.62	6.67	-99.97
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C=C1	REAL300000411775	0	40	-2.0	-97.52	359.87	4.50	-93.02
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000411776	1	41	-2.0	-95.08	368.16	6.78	-88.30
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C=C1	REAL300000411777	0	41	-2.0	-109.54	374.23	3.57	-105.97
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000411778	0	39	-3.0	-172.04	354.75	7.51	-164.53
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C1	REAL300000411779	0	34	-2.0	-104.59	322.00	4.93	-99.66
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1	REAL300000411780	0	39	-2.0	-111.14	353.83	6.34	-104.80
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1	REAL300000411781	1	42	-2.0	-103.90	358.44	6.77	-97.13
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C1	REAL300000411783	0	43	-2.0	-108.33	373.15	9.24	-99.09
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C=C1	REAL300000411784	0	40	-2.0	-103.84	362.79	6.00	-97.84
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411785	0	40	-2.0	-102.18	349.76	8.43	-93.75
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1	REAL300000411786	0	42	-2.0	-110.56	358.94	6.76	-103.80
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(F)=C1	REAL300000411792	0	40	-2.0	-107.59	352.55	7.88	-99.71
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C1	REAL300000411793	0	36	-2.0	-93.32	347.67	6.12	-87.20
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C=C1	REAL300000411794	1	42	-2.0	-100.73	366.49	5.38	-95.35
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000411796	0	43	-2.0	-95.35	378.83	8.14	-87.21
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000411796	1	42	-3.0	-160.15	376.06	8.16	-151.99
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411798	0	41	-2.0	-104.72	357.30	6.77	-97.95
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C=C1	REAL300000411799	1	40	-2.0	-91.47	362.22	6.03	-85.44
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000411800	1	45	-2.0	-99.79	385.09	8.76	-91.03
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1Cl	REAL300000411802	0	40	-2.0	-91.85	365.89	4.15	-87.70
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411803	0	36	-2.0	-91.88	319.58	4.88	-87.00
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000411804	1	40	-2.0	-96.01	358.10	8.03	-87.98
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1	REAL300000411805	1	43	-2.0	-109.57	370.73	7.92	-101.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C([N+](=O)[O-])S1	REAL300000411806	0	39	-2.0	-105.84	357.21	8.13	-97.71
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=C1	REAL300000411808	1	40	-2.0	-96.00	364.63	5.11	-90.89
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1	REAL300000411809	0	36	-2.0	-102.69	323.14	5.10	-97.59
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1	REAL300000411812	0	36	-2.0	-91.55	324.04	5.08	-86.47
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C=C1	REAL300000411814	0	35	-2.0	-103.37	333.03	6.32	-97.05
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1	REAL300000411817	1	37	-2.0	-92.70	345.22	7.49	-85.21
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C1	REAL300000411818	0	46	-2.0	-106.70	384.32	7.28	-99.42
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1	REAL300000411819	0	45	-2.0	-110.39	374.83	8.13	-102.26
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411820	0	47	-2.0	-100.07	398.56	5.85	-94.22
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411826	1	44	-2.0	-111.06	378.56	4.37	-106.69
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)N(C)N=C1	REAL300000411829	0	43	-2.0	-100.69	371.87	6.00	-94.69
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)N1C	REAL300000411832	0	40	-2.0	-100.28	344.23	5.85	-94.43
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411833	1	50	-2.0	-103.96	412.67	8.58	-95.38
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1F	REAL300000411836	0	42	-2.0	-105.02	367.88	9.03	-95.99
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CN1CC1CC1	REAL300000411837	0	50	-2.0	-110.05	421.34	8.87	-101.18
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)O1	REAL300000411838	0	43	-2.0	-95.90	380.07	6.29	-89.61
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1	REAL300000411839	0	40	-2.0	-97.87	362.38	6.42	-91.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(C)=C1[N+](=O)[O-]	REAL300000411840	1	45	-2.0	-96.34	386.71	9.24	-87.10
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C=C1	REAL300000411841	0	40	-2.0	-89.46	365.60	5.47	-83.99
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1	REAL300000411842	0	36	-2.0	-95.72	339.99	5.53	-90.19
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=C1	REAL300000411843	1	47	-2.0	-111.52	388.73	10.33	-101.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(F)=C1F	REAL300000411845	0	40	-2.0	-103.07	354.72	7.71	-95.36
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)OC=C1	REAL300000411846	0	40	-2.0	-110.38	358.90	5.95	-104.43
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C=C1	REAL300000411848	0	39	-2.0	-112.02	349.71	5.91	-106.11
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(C)=N1	REAL300000411849	0	49	-2.0	-98.68	410.55	7.69	-90.99
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000411850	0	38	-3.0	-165.56	347.31	5.60	-159.96
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411851	0	41	-2.0	-100.52	355.24	6.99	-93.53
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C=C1	REAL300000411852	1	49	-2.0	-98.07	400.86	9.18	-88.89
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C=C1	REAL300000411853	1	38	-2.0	-92.43	349.90	7.39	-85.04
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)C=C1	REAL300000411854	0	40	-2.0	-95.86	355.80	5.55	-90.31
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1	REAL300000411855	0	39	-2.0	-112.21	345.80	6.11	-106.10
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1	REAL300000411855	1	39	-2.0	-98.77	345.90	5.97	-92.80
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1	REAL300000411856	0	41	-2.0	-107.45	356.37	6.89	-100.56
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C=C1	REAL300000411857	0	47	-2.0	-97.84	383.62	7.04	-90.80
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C=C1	REAL300000411858	0	49	-2.0	-97.79	391.05	7.55	-90.24
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1	REAL300000411860	0	47	-2.0	-98.50	390.04	7.28	-91.22
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C=C1	REAL300000411861	0	40	-2.0	-91.97	355.93	5.87	-86.10
CC(CC(=O)[O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1	REAL300000411863	0	38	-2.0	-87.47	338.01	5.46	-82.01
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1	REAL300000411863	1	38	-2.0	-100.10	338.82	4.68	-95.42
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411865	0	40	-2.0	-113.59	353.65	4.58	-109.01
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411866	0	43	-2.0	-99.00	365.48	6.08	-92.92
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1F	REAL300000411867	1	42	-2.0	-100.81	367.65	7.40	-93.41
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C=C1	REAL300000411868	0	37	-2.0	-93.87	327.83	4.28	-89.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(C#N)=C1	REAL300000411869	0	41	-2.0	-106.92	362.14	7.88	-99.04
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411870	0	41	-2.0	-107.94	354.39	8.17	-99.77
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=C1	REAL300000411871	1	40	-2.0	-94.82	359.31	7.82	-87.00
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C=C1	REAL300000411873	1	44	-2.0	-104.63	386.38	8.88	-95.75
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411875	0	37	-2.0	-91.49	341.88	2.73	-88.76
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1	REAL300000411877	0	33	-2.0	-93.87	309.38	4.63	-89.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411880	0	43	-3.0	-158.83	379.30	7.28	-151.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411880	1	44	-2.0	-102.22	382.01	7.24	-94.98
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C(C(N)=O)O1	REAL300000411881	0	41	-2.0	-100.47	362.17	2.54	-97.93
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411882	1	46	-2.0	-100.74	374.29	9.43	-91.31
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1	REAL300000411883	0	37	-2.0	-106.03	337.35	7.04	-98.99
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000411885	0	36	-3.0	-154.65	351.25	6.46	-148.19
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1	REAL300000411886	1	42	-2.0	-108.62	358.88	7.43	-101.19
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411887	0	44	-2.0	-102.90	384.03	7.13	-95.77
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C=C1	REAL300000411888	0	38	-2.0	-102.66	348.48	7.35	-95.31
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C)N=N2)C=C1	REAL300000411889	0	36	-2.0	-103.10	321.43	3.25	-99.85
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1	REAL300000411890	0	44	-2.0	-98.48	372.53	6.61	-91.87
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1	REAL300000411891	0	44	-2.0	-97.34	371.11	6.75	-90.59
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1	REAL300000411892	0	47	-2.0	-95.48	392.04	7.54	-87.94
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C=C1	REAL300000411893	0	48	-2.0	-106.37	397.68	4.93	-101.44
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C1	REAL300000411894	1	43	-2.0	-98.47	373.35	4.17	-94.30
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C1	REAL300000411895	0	34	-2.0	-99.57	326.74	5.51	-94.06
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1F	REAL300000411896	1	41	-2.0	-91.00	368.51	6.48	-84.52
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1	REAL300000411897	0	44	-2.0	-100.94	365.55	6.98	-93.96
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1F	REAL300000411898	0	41	-2.0	-98.78	363.83	6.37	-92.41
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411899	0	47	-2.0	-106.14	397.09	8.32	-97.82
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411900	0	40	-2.0	-97.26	346.05	7.62	-89.64
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3OC(C)CC3=CC=C2)C=C1	REAL300000411901	0	45	-2.0	-111.31	379.81	7.51	-103.80
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C=C1	REAL300000411902	0	45	-2.0	-98.08	391.30	6.58	-91.50
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C=C1	REAL300000411903	1	45	-2.0	-103.42	390.89	9.14	-94.28
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411904	0	41	-2.0	-103.49	362.63	7.54	-95.95
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1	REAL300000411905	0	34	-2.0	-98.13	328.06	6.36	-91.77
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C1	REAL300000411906	0	39	-2.0	-91.78	356.78	6.11	-85.67
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411907	0	42	-2.0	-114.67	364.38	6.51	-108.16
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411908	0	39	-2.0	-90.59	337.36	4.19	-86.40
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1	REAL300000411910	1	38	-2.0	-90.79	337.52	5.71	-85.08
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1	REAL300000411911	0	40	-2.0	-102.66	361.49	8.35	-94.31
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C1	REAL300000411912	0	40	-2.0	-114.32	367.55	6.63	-107.69
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C=C1	REAL300000411913	0	44	-2.0	-94.45	373.56	6.69	-87.76
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1OC	REAL300000411915	0	45	-2.0	-105.08	378.24	6.78	-98.30
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1	REAL300000411916	0	40	-2.0	-102.71	352.40	7.21	-95.50
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1OC	REAL300000411917	0	45	-2.0	-108.00	382.07	7.25	-100.75
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C=C1	REAL300000411918	0	50	-2.0	-102.22	411.47	7.83	-94.39
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C=C1	REAL300000411919	0	44	-2.0	-101.63	379.76	6.81	-94.82
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1	REAL300000411921	0	40	-2.0	-108.01	352.07	6.13	-101.88
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C=C1	REAL300000411922	0	42	-2.0	-116.86	367.18	5.33	-111.53
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C=C1	REAL300000411923	0	44	-2.0	-102.48	363.58	8.85	-93.63
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=CN=C1N	REAL300000411924	1	41	-2.0	-100.59	350.66	4.63	-95.96
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411925	0	37	-2.0	-98.09	339.92	2.80	-95.29
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)N=CN1	REAL300000411926	0	37	-2.0	-107.39	320.69	5.04	-102.35
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1	REAL300000411928	1	40	-2.0	-99.32	356.34	7.31	-92.01
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C=C1	REAL300000411929	0	47	-2.0	-101.70	394.16	7.33	-94.37
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1	REAL300000411930	0	34	-2.0	-97.92	328.47	6.47	-91.45
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1	REAL300000411931	0	47	-2.0	-98.95	396.61	7.57	-91.38
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1	REAL300000411932	0	41	-2.0	-103.99	359.38	8.12	-95.87
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411933	1	46	-2.0	-102.69	387.03	9.13	-93.56
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411934	0	43	-2.0	-94.34	380.26	5.19	-89.15
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C=C1	REAL300000411935	0	38	-2.0	-102.81	347.15	7.28	-95.53
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C=C1	REAL300000411936	0	44	-2.0	-98.38	368.35	6.45	-91.93
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C=C1	REAL300000411939	0	46	-2.0	-93.12	369.62	6.83	-86.29
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C=C1	REAL300000411940	0	46	-2.0	-99.46	387.13	6.64	-92.82
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1	REAL300000411941	0	44	-2.0	-98.87	371.21	6.02	-92.85
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C=C1	REAL300000411942	0	48	-2.0	-98.14	396.90	7.75	-90.39
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1	REAL300000411943	1	40	-2.0	-100.96	350.62	7.74	-93.22
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C1	REAL300000411944	0	37	-2.0	-99.39	344.20	7.30	-92.09
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C1	REAL300000411945	0	37	-2.0	-93.24	354.37	7.03	-86.21
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411946	0	40	-2.0	-95.60	346.16	5.07	-90.53
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1C	REAL300000411948	1	43	-2.0	-101.78	355.83	8.26	-93.52
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1	REAL300000411949	0	40	-2.0	-109.80	343.62	8.22	-101.58
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411950	1	48	-2.0	-110.98	407.22	8.95	-102.03
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411952	1	46	-2.0	-101.47	401.05	8.57	-92.90
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C=C1	REAL300000411953	0	38	-2.0	-99.68	355.23	7.77	-91.91
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1	REAL300000411954	0	37	-2.0	-99.92	342.65	7.16	-92.76
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1	REAL300000411955	1	44	-2.0	-102.72	371.86	9.03	-93.69
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=CS1	REAL300000411956	0	38	-2.0	-104.70	344.90	5.36	-99.34
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411957	0	43	-2.0	-96.42	388.81	7.27	-89.15
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1	REAL300000411958	0	44	-2.0	-103.61	377.35	9.09	-94.52
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1	REAL300000411959	0	47	-2.0	-96.25	387.41	7.52	-88.73
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411960	0	46	-2.0	-95.46	382.58	6.82	-88.64
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1	REAL300000411961	1	46	-2.0	-107.46	393.84	4.44	-103.02
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C=C1	REAL300000411963	0	42	-2.0	-110.01	366.24	5.29	-104.72
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)O1	REAL300000411964	0	40	-2.0	-100.52	348.72	6.53	-93.99
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1	REAL300000411965	0	37	-2.0	-93.67	346.49	6.15	-87.52
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000411966	0	41	-2.0	-97.58	363.58	6.84	-90.74
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C=C1	REAL300000411967	1	43	-2.0	-100.84	375.86	8.45	-92.39
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1	REAL300000411968	1	41	-2.0	-100.78	361.89	6.50	-94.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)S1	REAL300000411969	0	38	-2.0	-97.67	346.43	5.38	-92.29
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000411970	0	48	-2.0	-115.88	394.10	9.27	-106.61
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1	REAL300000411972	0	40	-2.0	-96.04	355.30	5.63	-90.41
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411973	1	47	-2.0	-103.66	399.56	7.61	-96.05
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C=C1	REAL300000411974	0	47	-2.0	-97.69	403.66	8.04	-89.65
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1	REAL300000411975	0	50	-2.0	-97.94	409.03	7.87	-90.07
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1	REAL300000411976	1	40	-2.0	-103.27	344.27	7.84	-95.43
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1	REAL300000411977	0	40	-2.0	-105.20	349.62	7.27	-97.93
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1	REAL300000411978	1	39	-2.0	-102.48	353.57	6.32	-96.16
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=N1	REAL300000411979	0	39	-2.0	-98.57	343.35	3.79	-94.78
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1Cl	REAL300000411980	0	40	-2.0	-96.44	364.30	5.86	-90.58
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1	REAL300000411981	0	34	-2.0	-94.74	322.38	5.54	-89.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000411982	1	46	-2.0	-109.73	381.40	9.77	-99.96
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C1	REAL300000411984	0	37	-2.0	-95.28	350.19	7.53	-87.75
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C=C1	REAL300000411985	0	47	-2.0	-103.36	400.09	8.34	-95.02
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1	REAL300000411987	0	41	-2.0	-100.88	366.46	8.25	-92.63
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C=C1	REAL300000411988	0	40	-2.0	-92.11	368.10	7.74	-84.37
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000411990	0	37	-2.0	-99.90	327.22	5.60	-94.30
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=NN1	REAL300000411991	0	43	-2.0	-98.73	382.84	4.73	-94.00
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1OC	REAL300000411992	0	42	-2.0	-103.03	375.59	4.94	-98.09
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1	REAL300000411993	0	36	-2.0	-87.12	340.26	5.56	-81.56
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C=C1	REAL300000411994	0	43	-2.0	-98.90	367.05	6.86	-92.04
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C=C1	REAL300000411995	1	44	-2.0	-107.46	376.34	8.69	-98.77
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=C1	REAL300000411996	0	34	-2.0	-90.48	347.71	7.02	-83.46
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C=C1	REAL300000411997	0	37	-2.0	-96.17	342.52	4.99	-91.18
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C=C1	REAL300000411998	1	42	-2.0	-98.42	375.31	7.60	-90.82
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C=C1	REAL300000411999	0	43	-2.0	-112.22	360.46	8.75	-103.47
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C=C1	REAL300000412000	0	35	-2.0	-101.51	324.47	5.39	-96.12
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000412001	0	39	-2.0	-92.75	350.38	6.32	-86.43
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000412002	1	48	-2.0	-104.36	406.31	8.55	-95.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(C2CC2)=N1	REAL300000412003	0	47	-2.0	-101.59	399.49	7.71	-93.88
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C2=NSN=C2C=C1	REAL300000412004	0	41	-2.0	-107.83	360.65	6.29	-101.54
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000412007	0	50	-2.0	-98.84	410.53	8.07	-90.77
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1	REAL300000412008	0	34	-2.0	-97.47	321.41	5.42	-92.05
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1	REAL300000412009	0	34	-2.0	-95.13	331.45	6.44	-88.69
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C=C1	REAL300000412010	0	45	-2.0	-95.76	374.92	4.68	-91.08
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1	REAL300000412011	1	44	-2.0	-104.80	366.19	9.09	-95.71
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(C)=N1	REAL300000412015	1	43	-2.0	-94.70	365.48	4.37	-90.33
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000412016	0	43	-2.0	-104.61	370.03	4.77	-99.84
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000412017	0	40	-2.0	-98.68	365.34	4.62	-94.06
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C	REAL300000412018	1	43	-2.0	-95.35	369.95	4.34	-91.01
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=N1	REAL300000412019	0	46	-2.0	-98.00	385.60	7.07	-90.93
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000412020	0	46	-2.0	-99.36	386.24	6.66	-92.70
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C1	REAL300000412021	0	36	-2.0	-98.00	349.97	4.91	-93.09
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C=C1	REAL300000412022	0	35	-2.0	-100.10	325.58	5.34	-94.76
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C=C1	REAL300000412023	0	35	-2.0	-104.17	334.69	6.26	-97.91
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000412024	0	43	-2.0	-94.85	364.35	6.19	-88.66
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C1C	REAL300000412025	0	45	-2.0	-93.35	389.41	6.29	-87.06
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C=C1	REAL300000412026	0	40	-2.0	-105.92	361.92	8.69	-97.23
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1	REAL300000412027	0	44	-2.0	-94.33	374.84	7.04	-87.29
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1	REAL300000412028	0	44	-2.0	-99.96	376.36	8.07	-91.89
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=NN1C(C)C	REAL300000412030	0	46	-2.0	-100.45	387.13	6.67	-93.78
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=C1	REAL300000412031	1	44	-2.0	-107.46	382.51	9.13	-98.33
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1	REAL300000412032	0	39	-2.0	-96.11	349.98	5.94	-90.17
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C=C1	REAL300000412034	1	44	-2.0	-102.13	384.16	9.16	-92.97
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C=C1	REAL300000412035	0	41	-2.0	-102.01	373.09	7.39	-94.62
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1	REAL300000412036	1	38	-2.0	-101.80	333.66	4.07	-97.73
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000412037	1	46	-2.0	-105.13	387.54	8.60	-96.53
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C1	REAL300000412038	0	40	-2.0	-109.55	362.30	7.93	-101.62
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1	REAL300000412039	0	33	-2.0	-91.98	308.29	4.52	-87.46
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1	REAL300000412040	0	41	-2.0	-110.69	370.51	6.19	-104.50
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=C1	REAL300000412041	1	44	-2.0	-106.63	378.45	9.23	-97.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C(C(F)F)=C1	REAL300000412042	1	44	-2.0	-98.71	374.06	7.39	-91.32
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000412043	0	42	-2.0	-107.74	363.41	6.51	-101.23
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(=O)[O-])C=C1	REAL300000412044	0	43	-2.0	-116.91	371.97	8.47	-108.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000412045	0	45	-2.0	-116.76	380.37	8.09	-108.67
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000412046	0	42	-3.0	-161.26	373.22	7.49	-153.77
CCC1=C(S(=O)(=O)NC2=CC=C(C(C)CC(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000412046	1	43	-2.0	-109.75	375.60	6.92	-102.83
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000412047	0	50	-2.0	-110.35	412.09	8.92	-101.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)C=C(Cl)S1	REAL300000412048	0	37	-2.0	-94.17	347.91	7.31	-86.86
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1	REAL300000412049	0	33	-2.0	-96.43	309.21	4.05	-92.38
CC(CC(=O)[O-])C1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1	REAL300000412050	0	44	-2.0	-100.70	368.35	6.24	-94.46
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(=O)[O-])C=C2)=C1	REAL300000412051	0	40	-2.0	-105.68	349.54	7.65	-98.03
COC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412052	0	36	-2.0	-112.57	333.53	2.49	-110.08
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1C(N)=O	REAL300000412053	0	36	-2.0	-102.16	329.07	2.47	-99.69
COC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412054	0	36	-2.0	-113.99	329.06	2.46	-111.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(N)=O)=C1OC	REAL300000412055	0	40	-2.0	-119.51	357.21	2.26	-117.25
COC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=CC=C1C(N)=O	REAL300000412056	0	40	-2.0	-101.27	360.54	3.76	-97.51
COC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412057	0	39	-2.0	-115.24	345.02	3.00	-112.24
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=CC=C1C(N)=O	REAL300000412058	0	36	-2.0	-108.77	342.11	3.05	-105.72
COC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412059	0	36	-2.0	-110.99	341.51	2.86	-108.13
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=CC=C1C(N)=O	REAL300000412060	0	42	-2.0	-115.47	362.14	3.80	-111.67
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CC=C1C(N)=O	REAL300000412061	0	36	-2.0	-110.90	334.51	2.53	-108.37
COC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=CC=C1C(N)=O	REAL300000412062	0	42	-2.0	-100.72	372.66	4.04	-96.68
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC=C1C(N)=O	REAL300000412063	0	33	-2.0	-109.31	322.27	1.48	-107.83
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=CC=C1C(N)=O	REAL300000412064	0	39	-2.0	-113.66	344.47	3.25	-110.41
COC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=CC=C1C(N)=O	REAL300000412065	0	40	-2.0	-99.89	360.16	2.74	-97.15
COC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412066	0	37	-2.0	-113.38	335.67	1.81	-111.57
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=CC=C1C(N)=O	REAL300000412067	0	40	-2.0	-113.81	353.24	1.28	-112.53
COC1=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=CC=C1C(N)=O	REAL300000412068	0	36	-2.0	-104.95	338.19	2.14	-102.81
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=CC=C1C(N)=O	REAL300000412069	0	42	-2.0	-116.03	360.54	3.78	-112.25
COC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412070	0	33	-2.0	-109.88	320.73	1.50	-108.38
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2OC)C=C1C(=O)[O-]	REAL300000412071	0	40	-2.0	-121.00	356.30	2.53	-118.47
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=CC=C1C(N)=O	REAL300000412072	0	45	-2.0	-115.65	382.94	4.47	-111.18
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(N)=O)=C1OC	REAL300000412073	0	42	-2.0	-112.75	351.58	3.94	-108.81
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(N)=O)=C1OC	REAL300000412074	0	43	-2.0	-120.95	379.51	3.02	-117.93
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412075	0	38	-3.0	-191.52	357.48	3.02	-188.50
COC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412075	1	39	-2.0	-110.87	357.46	2.96	-107.91
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=CC=C1C(N)=O	REAL300000412076	0	43	-2.0	-118.05	373.32	4.36	-113.69
COC1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412077	0	36	-2.0	-107.44	332.11	1.60	-105.84
COC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=CC=C1C(N)=O	REAL300000412078	0	40	-2.0	-116.03	358.00	1.55	-114.48
COC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=CC=C1C(N)=O	REAL300000412079	0	43	-2.0	-100.38	380.18	3.46	-96.92
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=CC=C1C(N)=O	REAL300000412080	0	39	-2.0	-104.67	349.76	3.29	-101.38
COC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=CC=C1C(N)=O	REAL300000412081	0	40	-2.0	-99.34	366.29	2.81	-96.53
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2OC)C=C1C(=O)[O-]	REAL300000412082	0	43	-2.0	-120.40	378.17	3.44	-116.96
COC1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412083	0	36	-2.0	-111.25	338.77	2.35	-108.90
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=CC=C1C(N)=O	REAL300000412084	0	36	-2.0	-99.61	342.09	3.03	-96.58
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC=C1C(N)=O	REAL300000412085	0	36	-2.0	-101.58	333.51	2.50	-99.08
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC=C1C(N)=O	REAL300000412086	0	33	-2.0	-103.82	321.34	1.58	-102.24
COC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412087	0	36	-2.0	-105.09	335.43	2.53	-102.56
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=CC=C1C(N)=O	REAL300000412088	0	39	-2.0	-112.36	354.78	3.16	-109.20
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC=C1C(N)=O	REAL300000412089	0	36	-2.0	-101.95	334.50	2.54	-99.41
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CC=C1C(N)=O	REAL300000412090	0	36	-2.0	-99.64	341.49	2.87	-96.77
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=CC=C1C(N)=O	REAL300000412091	0	39	-2.0	-106.22	358.49	3.67	-102.55
COC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412092	0	36	-2.0	-104.08	339.84	2.56	-101.52
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412093	0	38	-2.0	-99.41	357.27	3.13	-96.28
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CC=C1C(N)=O	REAL300000412094	0	37	-2.0	-112.24	338.75	0.18	-112.06
COC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CC=C1C(N)=O	REAL300000412095	0	39	-2.0	-107.13	351.26	3.24	-103.89
COC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=CC=C1C(N)=O	REAL300000412096	0	39	-2.0	-111.85	339.08	3.09	-108.76
COC1=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412097	0	39	-2.0	-112.91	353.85	3.12	-109.79
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=CC=C1C(N)=O	REAL300000412098	0	39	-2.0	-101.92	344.45	3.24	-98.68
COC1=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412099	0	42	-2.0	-118.29	362.48	3.55	-114.74
COC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412100	0	38	-2.0	-113.56	355.56	3.56	-110.00
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CC=C1C(N)=O	REAL300000412101	0	36	-2.0	-103.03	340.77	2.59	-100.44
COC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=CC=C1C(N)=O	REAL300000412102	0	42	-2.0	-116.16	363.52	3.85	-112.31
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=CC=C1C(N)=O	REAL300000412103	0	39	-2.0	-112.01	350.51	3.06	-108.95
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=CC=C1C(N)=O	REAL300000412104	0	39	-2.0	-110.65	360.82	3.60	-107.05
COC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=CC=C1C(N)=O	REAL300000412105	0	39	-2.0	-121.09	354.05	3.16	-117.93
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2OC)C=C1C(=O)[O-]	REAL300000412106	0	42	-2.0	-115.86	363.36	3.65	-112.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2OC)C=C1CC(=O)[O-]	REAL300000412107	0	43	-2.0	-114.83	379.49	2.60	-112.23
COC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=CC=C1C(N)=O	REAL300000412108	0	39	-2.0	-104.11	355.34	3.65	-100.46
COC1=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412109	0	39	-2.0	-111.71	360.24	3.42	-108.29
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2OC)C=C1C(=O)[O-]	REAL300000412110	0	40	-2.0	-114.70	356.96	2.67	-112.03
COC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412111	0	39	-2.0	-108.51	358.89	3.43	-105.08
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=CC=C1C(N)=O	REAL300000412112	0	39	-2.0	-102.37	345.01	3.01	-99.36
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=CC=C1C(N)=O	REAL300000412113	0	39	-2.0	-110.99	348.99	3.28	-107.71
COC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=CC=C1C(N)=O	REAL300000412114	0	38	-2.0	-123.38	352.76	4.31	-119.07
COC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CC=C1C(N)=O	REAL300000412115	0	36	-2.0	-120.20	332.68	2.49	-117.71
COC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412116	0	39	-2.0	-106.80	350.18	3.04	-103.76
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1C(N)=O	REAL300000412117	0	35	-2.0	-110.80	325.99	0.53	-110.27
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(N)=O)=C1OC	REAL300000412118	0	40	-2.0	-106.12	357.22	2.26	-103.86
COC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC=C1C(N)=O	REAL300000412119	0	33	-2.0	-102.33	329.18	1.44	-100.89
COC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=CC=C1C(N)=O	REAL300000412120	0	43	-2.0	-107.71	375.21	4.35	-103.36
COC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=CC=C1C(N)=O	REAL300000412121	0	43	-2.0	-112.78	373.16	4.33	-108.45
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(N)=O)=C2OC)C=C(C(=O)[O-])O1	REAL300000412122	0	39	-2.0	-107.79	348.18	2.35	-105.44
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1F	REAL300000412125	1	39	-2.0	-107.86	351.80	6.82	-101.04
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1F	REAL300000412129	1	35	-2.0	-114.83	320.33	5.53	-109.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1F	REAL300000412133	1	31	-2.0	-104.66	305.25	6.30	-98.36
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1F	REAL300000412135	1	31	-2.0	-100.25	317.75	6.68	-93.57
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1F	REAL300000412137	1	31	-2.0	-106.69	297.66	5.79	-100.90
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1F	REAL300000412139	0	28	-2.0	-104.34	285.37	4.74	-99.60
CC1=CC=CC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=C1F	REAL300000412143	1	28	-2.0	-100.44	302.39	5.51	-94.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C)=C2F)=C1	REAL300000412146	1	31	-2.0	-100.36	301.30	5.41	-94.95
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1F	REAL300000412154	1	38	-2.0	-116.18	342.62	6.30	-109.88
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1F	REAL300000412155	0	34	-2.0	-106.98	320.68	6.22	-100.76
CC1=C(S(=O)(=O)[N-]C2=C(F)C(C)=CC=C2)C=C(C(=O)[O-])O1	REAL300000412157	1	31	-2.0	-103.12	295.19	4.86	-98.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2F)=C1	REAL300000412159	1	35	-2.0	-111.98	321.10	4.81	-107.17
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1F	REAL300000412171	1	31	-2.0	-98.53	320.42	6.75	-91.78
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1F	REAL300000412175	1	28	-2.0	-99.20	284.45	4.86	-94.34
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1F	REAL300000412177	1	34	-2.0	-108.21	317.95	6.43	-101.78
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2F)=C(Cl)C=C1C(=O)[O-]	REAL300000412178	1	35	-2.0	-99.39	332.48	6.35	-93.04
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1F	REAL300000412179	1	31	-2.0	-96.93	297.65	5.80	-91.13
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1F	REAL300000412186	0	32	-2.0	-106.87	296.32	4.28	-102.59
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1F	REAL300000412194	1	31	-2.0	-98.44	303.93	5.86	-92.58
CC1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=C1F	REAL300000412195	0	28	-2.0	-97.12	304.76	5.41	-91.71
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2F)C=C1C(=O)[O-]	REAL300000412197	1	34	-2.0	-107.92	313.66	6.33	-101.59
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1F	REAL300000412198	1	34	-2.0	-106.58	323.97	6.87	-99.71
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2F)=C1	REAL300000412199	1	34	-2.0	-115.74	317.22	6.41	-109.33
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1F	REAL300000412208	1	31	-2.0	-96.99	317.80	6.29	-90.70
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=C1F	REAL300000412209	1	35	-2.0	-96.44	336.89	6.02	-90.42
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1F	REAL300000412214	0	36	-2.0	-101.46	332.90	7.89	-93.57
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1F	REAL300000412216	0	33	-2.0	-118.03	315.92	7.58	-110.45
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000412217	1	31	-2.0	-114.91	295.82	5.75	-109.16
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1F	REAL300000412220	0	30	-2.0	-107.78	288.40	3.84	-103.94
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1F	REAL300000412222	1	28	-2.0	-97.29	292.28	4.69	-92.60
CC1=CC=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=C1F	REAL300000412224	0	34	-2.0	-101.45	335.54	2.77	-98.68
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2F)C=C(C(=O)[O-])O1	REAL300000412227	1	34	-2.0	-102.78	314.31	5.72	-97.06
CS(=O)(=O)[N-]C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000412228	1	35	-3.0	-169.16	342.14	1.94	-167.22
CS(=O)(=O)[N-]C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000412229	0	35	-3.0	-185.23	342.15	1.94	-183.29
CS(=O)(=O)[N-]C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000412230	0	32	-3.0	-177.62	335.34	0.96	-176.66
CS(=O)(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000412230	1	33	-2.0	-95.00	337.60	0.92	-94.08
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300000412231	0	36	-3.0	-182.67	348.80	1.29	-181.38
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2NS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000412231	1	37	-2.0	-98.72	351.06	1.24	-97.48
CS(=O)(=O)[N-]C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000412232	0	32	-3.0	-179.54	333.80	0.98	-178.56
CS(=O)(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000412232	1	33	-2.0	-97.88	336.07	0.93	-96.95
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2[N-]S(C)(=O)=O)C=C(C(=O)[O-])O1	REAL300000412233	0	35	-3.0	-174.42	345.15	1.08	-173.34
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2NS(C)(=O)=O)C=C(C(=O)[O-])O1	REAL300000412233	1	36	-2.0	-95.39	347.42	1.05	-94.34
CS(=O)(=O)[N-]C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000412234	0	32	-3.0	-171.33	334.41	1.06	-170.27
CS(=O)(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000412234	1	33	-2.0	-91.62	336.67	1.02	-90.60
CS(=O)(=O)[N-]C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000412235	0	34	-3.0	-183.13	338.36	0.06	-183.07
CS(=O)(=O)NC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000412235	1	35	-2.0	-98.89	340.62	0.02	-98.87
CCCN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000412237	1	45	-2.0	-105.88	383.41	7.49	-98.39
CCCN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000412238	0	42	-2.0	-100.26	378.03	6.59	-93.67
CCCN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000412239	1	46	-2.0	-104.33	391.54	6.92	-97.41
CCCN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000412240	0	42	-2.0	-101.59	375.08	6.54	-95.05
CCCN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C21	REAL300000412241	0	45	-2.0	-100.35	386.44	6.63	-93.72
CCCN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000412242	0	42	-2.0	-95.25	377.16	6.72	-88.53
CCCN1C(=O)CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000412243	0	44	-2.0	-103.50	381.88	5.64	-97.86
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000412244	1	42	-2.0	-92.85	382.22	5.38	-87.47
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000412245	1	35	-2.0	-109.76	330.31	6.83	-102.93
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(SC)=CC=C1C	REAL300000412246	0	43	-2.0	-111.31	385.39	7.88	-103.43
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000412247	1	35	-2.0	-99.60	325.75	6.80	-92.80
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000412248	1	35	-2.0	-112.69	325.77	6.79	-105.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(SC)=CC=C1C	REAL300000412249	0	39	-2.0	-118.99	353.91	6.59	-112.40
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000412250	1	39	-2.0	-99.00	357.22	8.09	-90.91
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000412251	1	38	-2.0	-113.88	341.79	7.33	-106.55
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000412252	0	35	-2.0	-108.57	338.84	7.35	-101.22
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000412253	1	35	-2.0	-108.26	338.29	7.19	-101.07
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000412254	1	41	-2.0	-116.49	358.43	8.15	-108.34
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000412255	0	35	-2.0	-110.65	331.23	6.86	-103.79
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000412256	1	41	-2.0	-98.45	369.33	8.39	-90.06
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000412257	0	32	-2.0	-106.72	318.96	5.81	-100.91
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000412258	1	38	-2.0	-114.28	341.20	7.58	-106.70
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000412260	0	36	-2.0	-110.83	332.42	6.14	-104.69
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000412262	0	35	-2.0	-102.75	334.87	6.48	-96.27
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000412264	0	32	-2.0	-108.11	317.42	5.83	-102.28
COC1=CC(S(=O)(=O)[N-]C2=CC(SC)=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000412265	1	43	-2.0	-112.88	384.09	6.61	-106.27
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000412267	1	45	-2.0	-118.39	381.00	9.42	-108.97
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000412268	1	44	-2.0	-116.50	379.67	8.82	-107.68
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(SC)=CC=C1C	REAL300000412269	1	41	-2.0	-112.45	355.26	8.50	-103.95
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(SC)=CC=C1C	REAL300000412270	0	42	-2.0	-118.87	376.20	7.35	-111.52
CSC1=CC=C(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000412271	0	38	-2.0	-112.13	352.71	7.30	-104.83
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000412271	1	37	-3.0	-188.89	354.17	7.36	-181.53
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000412272	1	42	-2.0	-118.71	370.01	8.69	-110.02
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000412273	0	35	-2.0	-106.64	328.78	5.93	-100.71
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000412274	1	41	-2.0	-117.42	367.94	6.57	-110.85
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000412275	0	39	-2.0	-112.78	354.69	5.88	-106.90
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000412277	0	35	-2.0	-104.96	343.36	7.39	-97.57
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000412279	1	38	-2.0	-104.40	346.48	7.61	-96.79
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000412280	1	39	-2.0	-96.93	363.07	7.14	-89.79
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000412282	1	35	-2.0	-110.22	335.46	6.69	-103.53
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000412283	0	35	-2.0	-96.91	338.82	7.36	-89.55
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000412284	1	35	-2.0	-98.89	330.29	6.84	-92.05
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000412285	0	32	-2.0	-101.41	318.03	5.92	-95.49
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000412286	1	35	-2.0	-103.25	332.19	6.86	-96.39
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000412287	0	38	-2.0	-112.09	351.52	7.50	-104.59
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000412288	0	35	-2.0	-99.00	331.23	6.87	-92.13
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000412289	1	35	-2.0	-96.98	338.27	7.20	-89.78
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000412290	1	38	-2.0	-106.14	355.21	8.01	-98.13
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000412291	1	43	-2.0	-95.65	389.50	8.21	-87.44
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000412292	1	35	-2.0	-101.07	336.59	6.89	-94.18
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000412293	0	37	-2.0	-97.23	353.97	7.47	-89.76
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000412294	0	36	-2.0	-113.35	335.48	4.50	-108.85
CSC1=CC=C(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000412294	1	36	-2.0	-111.36	332.90	5.32	-106.04
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000412295	1	38	-2.0	-103.84	347.94	7.58	-96.26
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000412296	1	35	-2.0	-102.64	346.47	7.33	-95.31
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000412297	1	38	-2.0	-107.98	335.81	7.43	-100.55
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000412298	1	38	-2.0	-111.18	350.60	7.45	-103.73
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000412300	1	41	-2.0	-115.88	359.23	7.88	-108.00
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000412301	0	37	-2.0	-110.16	352.35	7.88	-102.28
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000412302	0	35	-2.0	-101.84	337.50	6.92	-94.92
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000412304	0	38	-2.0	-112.95	351.09	7.49	-105.46
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000412305	0	38	-2.0	-110.45	357.55	7.93	-102.52
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000412306	0	38	-2.0	-116.91	350.81	7.49	-109.42
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(SC)=CC=C2C)C=C1C(=O)[O-]	REAL300000412307	1	41	-2.0	-114.68	360.09	7.98	-106.70
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000412309	1	38	-2.0	-101.29	352.03	7.98	-93.31
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000412310	1	38	-2.0	-110.12	356.99	7.75	-102.37
CCN1C=C(S(=O)(=O)[N-]C2=CC(SC)=CC=C2C)C=C1C(=O)[O-]	REAL300000412311	0	39	-2.0	-112.07	353.72	7.00	-105.07
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000412313	1	38	-2.0	-105.92	355.63	7.76	-98.16
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000412314	0	44	-2.0	-109.48	375.21	8.93	-100.55
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000412315	1	38	-2.0	-99.77	341.78	7.34	-92.43
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000412316	0	40	-2.0	-104.28	369.02	8.99	-95.29
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000412318	0	37	-2.0	-118.98	349.50	8.66	-110.32
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000412319	0	35	-2.0	-116.05	329.40	6.82	-109.23
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000412320	1	38	-2.0	-104.22	346.93	7.37	-96.85
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000412321	1	41	-2.0	-121.10	366.81	8.92	-112.18
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000412322	0	34	-2.0	-110.75	322.74	4.86	-105.89
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(SC)=CC=C1C	REAL300000412323	0	39	-2.0	-104.05	353.97	6.59	-97.46
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000412324	0	32	-2.0	-100.14	325.87	5.77	-94.37
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000412325	1	42	-2.0	-106.68	371.89	8.68	-98.00
CSC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000412326	1	42	-2.0	-108.70	369.86	8.67	-100.03
CCC1=C(S(=O)(=O)[N-]C2=CC(SC)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000412327	0	38	-2.0	-106.56	347.89	6.78	-99.78
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1	REAL300000412328	1	43	-2.0	-90.19	384.34	5.02	-85.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=CC=C1F	REAL300000412329	1	36	-2.0	-106.68	332.42	6.46	-100.22
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CN2)C=C1	REAL300000412330	0	44	-2.0	-107.93	387.51	7.52	-100.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1	REAL300000412331	1	36	-2.0	-96.71	327.87	6.44	-90.27
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412332	1	36	-2.0	-109.29	327.90	6.43	-102.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CN2)C=C1	REAL300000412333	0	40	-2.0	-115.11	356.03	6.24	-108.87
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1	REAL300000412334	1	40	-2.0	-96.30	359.33	7.73	-88.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1C(=O)[O-]	REAL300000412335	1	39	-2.0	-111.80	347.97	7.09	-104.71
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412336	0	36	-2.0	-105.11	340.95	7.00	-98.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=CC=C1Cl	REAL300000412337	1	36	-2.0	-105.08	340.39	6.82	-98.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1C	REAL300000412338	1	42	-2.0	-112.45	360.28	7.74	-104.71
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412339	0	36	-2.0	-106.74	333.36	6.49	-100.25
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1	REAL300000412340	1	42	-2.0	-95.59	371.45	8.02	-87.57
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412341	0	33	-2.0	-103.51	321.07	5.46	-98.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CN2)C=C1	REAL300000412342	1	39	-2.0	-110.67	343.32	7.22	-103.45
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1C(=O)[O-]	REAL300000412344	0	37	-2.0	-107.56	334.53	5.79	-101.77
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412346	0	36	-2.0	-99.55	337.02	6.12	-93.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=CS1	REAL300000412348	0	33	-2.0	-104.94	319.53	5.47	-99.47
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412350	1	46	-2.0	-114.39	383.11	9.06	-105.33
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CN2)C=C1	REAL300000412351	1	45	-2.0	-112.81	381.78	8.46	-104.35
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CN2)C=C1	REAL300000412352	1	42	-2.0	-109.02	358.03	8.17	-100.85
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CN2)C=C1	REAL300000412353	0	43	-2.0	-115.28	378.31	7.00	-108.28
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412354	0	39	-2.0	-111.27	359.00	6.95	-104.32
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412354	1	38	-3.0	-184.74	356.29	7.01	-177.73
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412355	1	43	-2.0	-114.78	372.13	8.33	-106.45
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C(C(=O)[O-])O1	REAL300000412356	0	36	-2.0	-103.33	330.92	5.59	-97.74
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412357	0	40	-2.0	-110.23	356.85	5.52	-104.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C(Cl)C=C1F	REAL300000412359	0	36	-2.0	-101.69	345.47	7.02	-94.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CN2)C=C1	REAL300000412361	1	39	-2.0	-100.96	348.59	7.26	-93.70
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1F	REAL300000412362	1	40	-2.0	-94.38	365.18	6.79	-87.59
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C(C(=O)[O-])S1	REAL300000412364	1	36	-2.0	-106.94	336.50	6.32	-100.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C(Cl)=C1	REAL300000412365	0	36	-2.0	-94.20	340.93	7.00	-87.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1F	REAL300000412366	1	36	-2.0	-96.20	332.42	6.47	-89.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)S1	REAL300000412367	0	33	-2.0	-98.43	320.14	5.56	-92.87
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412368	1	36	-2.0	-100.08	334.29	6.50	-93.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1F	REAL300000412369	0	39	-2.0	-108.19	353.65	7.14	-101.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C(F)=C1	REAL300000412370	0	36	-2.0	-96.06	333.35	6.50	-89.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1Cl	REAL300000412371	1	36	-2.0	-94.21	340.39	6.83	-87.38
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CN2)C=C1	REAL300000412372	1	39	-2.0	-102.66	357.33	7.65	-95.01
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1	REAL300000412373	1	44	-2.0	-92.98	391.63	7.85	-85.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=CC(F)=C1F	REAL300000412374	1	36	-2.0	-98.16	338.70	6.52	-91.64
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412375	0	38	-2.0	-94.06	356.07	7.10	-86.96
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412376	0	37	-2.0	-109.63	337.60	4.15	-105.48
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412376	1	37	-2.0	-108.00	336.81	4.95	-103.05
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1	REAL300000412377	1	39	-2.0	-100.44	350.05	7.22	-93.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=CC(Cl)=C1F	REAL300000412378	1	36	-2.0	-99.61	348.59	6.96	-92.65
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CN2)C=C1	REAL300000412379	1	39	-2.0	-106.30	341.71	7.18	-99.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000412380	1	39	-2.0	-108.02	352.72	7.08	-100.94
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000412382	1	42	-2.0	-112.34	360.76	7.50	-104.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000412383	0	38	-2.0	-107.31	354.46	7.52	-99.79
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412384	0	36	-2.0	-98.26	339.63	6.57	-91.69
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1C(=O)[O-]	REAL300000412386	0	39	-2.0	-107.89	349.36	7.03	-100.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1Cl	REAL300000412387	0	39	-2.0	-106.84	359.63	7.57	-99.27
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412388	0	39	-2.0	-113.83	352.90	7.12	-106.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1C(=O)[O-]	REAL300000412389	1	42	-2.0	-111.15	362.17	7.62	-103.53
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CN2)C=C1	REAL300000412391	1	39	-2.0	-98.48	354.15	7.62	-90.86
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000412392	1	39	-2.0	-106.81	359.10	7.39	-99.42
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1C(=O)[O-]	REAL300000412393	0	40	-2.0	-108.93	355.90	6.65	-102.28
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1C(=O)[O-]	REAL300000412395	1	39	-2.0	-103.72	361.62	7.50	-96.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=CC=C1C(=O)[O-]	REAL300000412396	1	39	-2.0	-96.88	343.89	6.99	-89.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1[N+](=O)[O-]	REAL300000412398	0	38	-2.0	-116.29	351.61	8.29	-108.00
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1F	REAL300000412399	0	36	-2.0	-113.11	331.50	6.46	-106.65
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C1C(=O)[O-]	REAL300000412400	1	39	-2.0	-101.87	352.83	7.12	-94.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=CC2=CC=CC=C21	REAL300000412401	1	42	-2.0	-117.54	368.93	8.55	-108.99
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C1	REAL300000412402	0	35	-2.0	-106.93	324.09	4.56	-102.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CN2)C=C1	REAL300000412403	0	40	-2.0	-100.97	356.09	6.24	-94.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)=C(Cl)O1	REAL300000412404	0	33	-2.0	-96.98	328.03	5.41	-91.57
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=CC=CN4)C=C3)C=C2)CC1	REAL300000412405	1	43	-2.0	-103.40	374.01	8.32	-95.08
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=CC=CN4)C=C3)C=C2C1	REAL300000412406	1	43	-2.0	-106.11	373.33	8.32	-97.79
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CN3)C=C2)C=C(C(=O)[O-])O1	REAL300000412407	0	39	-2.0	-103.25	350.01	6.43	-96.82
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3N=CC4=CC=CC=C43)C=C2)=C1	REAL300000412410	0	38	-2.0	-105.87	362.74	7.30	-98.57
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=CC4=CC=CC=C43)C=C2)C=C1C(=O)[O-]	REAL300000412411	1	42	-2.0	-109.93	376.22	7.63	-102.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=CC4=CC=CC=C43)C=C2)=CS1	REAL300000412412	1	38	-2.0	-107.43	361.21	7.33	-100.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=CC4=CC=CC=C43)C=C2)C=C(C(=O)[O-])O1	REAL300000412413	0	41	-2.0	-105.52	372.60	7.42	-98.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=CC4=CC=CC=C43)C=C2)S1	REAL300000412414	0	38	-2.0	-100.74	361.82	7.41	-93.33
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3N=CC4=CC=CC=C43)C=C2)=C1	REAL300000412415	0	40	-2.0	-109.05	365.77	6.41	-102.64
CN(C1=C(F)C=CC=C1C(N)=O)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000412439	0	38	-2.0	-123.59	356.21	4.40	-119.19
CN(C1=C(F)C=CC=C1C(N)=O)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000412456	0	36	-2.0	-125.85	331.75	2.55	-123.30
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C	REAL300000412481	0	47	-2.0	-101.54	409.18	5.00	-96.54
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000412482	0	40	-2.0	-118.85	357.23	6.44	-112.41
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1C	REAL300000412483	0	48	-2.0	-120.25	412.33	7.51	-112.74
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300000412484	0	40	-2.0	-108.30	352.69	6.42	-101.88
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C	REAL300000412485	0	40	-2.0	-121.81	352.69	6.41	-115.40
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1C	REAL300000412486	0	44	-2.0	-127.96	380.84	6.23	-121.73
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C	REAL300000412487	0	44	-2.0	-107.84	384.17	7.71	-100.13
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000412488	0	43	-2.0	-123.31	368.72	6.95	-116.36
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C	REAL300000412489	0	40	-2.0	-117.36	365.76	6.98	-110.38
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000412490	0	40	-2.0	-117.45	365.20	6.81	-110.64
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C	REAL300000412491	0	46	-2.0	-125.04	385.37	7.77	-117.27
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000412492	0	40	-2.0	-119.38	358.17	6.48	-112.90
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C	REAL300000412493	0	46	-2.0	-107.27	396.28	8.01	-99.26
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000412494	0	37	-2.0	-115.54	345.90	5.44	-110.10
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C	REAL300000412495	0	43	-2.0	-122.78	368.14	7.19	-115.59
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C	REAL300000412496	0	44	-2.0	-106.48	383.79	6.70	-99.78
CCC(C)N1N=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000412497	0	41	-2.0	-120.04	359.35	5.76	-114.28
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1C	REAL300000412498	0	44	-2.0	-123.39	376.50	5.25	-118.14
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C	REAL300000412499	0	40	-2.0	-111.52	361.82	6.10	-105.42
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1C	REAL300000412500	0	46	-2.0	-125.45	388.16	7.83	-117.62
CCC(C)N1N=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C	REAL300000412501	0	37	-2.0	-117.19	344.36	5.44	-111.75
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1C	REAL300000412502	0	48	-2.0	-121.87	411.02	6.23	-115.64
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1C	REAL300000412503	0	44	-2.0	-127.63	380.00	6.48	-121.15
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1C	REAL300000412504	0	50	-2.0	-127.20	407.94	9.04	-118.16
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1C	REAL300000412505	0	49	-2.0	-125.36	406.61	8.42	-116.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)CC)C(C)=C1	REAL300000412506	0	46	-2.0	-120.92	382.83	8.13	-112.79
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1C	REAL300000412507	0	47	-2.0	-127.93	403.12	6.99	-120.94
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000412508	0	42	-3.0	-198.30	381.11	6.98	-191.32
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C	REAL300000412509	0	47	-2.0	-127.44	396.95	8.30	-119.14
CCC(C)N1N=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C	REAL300000412510	0	40	-2.0	-114.94	355.70	5.56	-109.38
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C	REAL300000412511	0	46	-2.0	-126.58	394.88	6.19	-120.39
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C	REAL300000412512	0	44	-2.0	-122.81	381.63	5.52	-117.29
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1C	REAL300000412513	0	48	-2.0	-108.12	406.34	7.04	-101.08
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C	REAL300000412514	0	40	-2.0	-113.48	370.30	7.00	-106.48
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1C	REAL300000412515	0	47	-2.0	-107.08	403.86	7.41	-99.67
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C	REAL300000412516	0	43	-2.0	-112.74	373.42	7.23	-105.51
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C	REAL300000412517	0	44	-2.0	-105.52	390.01	6.76	-98.76
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)CC)C(C)=C2)C=C1C(=O)[O-]	REAL300000412518	0	47	-2.0	-128.50	401.85	7.39	-121.11
CCC(C)N1N=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C	REAL300000412519	0	40	-2.0	-118.85	361.33	6.31	-112.54
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000412520	0	40	-2.0	-105.63	365.76	6.97	-98.66
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000412521	0	40	-2.0	-107.39	357.25	6.46	-100.93
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000412522	0	37	-2.0	-110.18	344.95	5.54	-104.64
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000412523	0	40	-2.0	-112.24	359.10	6.48	-105.76
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C	REAL300000412524	0	43	-2.0	-120.94	378.46	7.12	-113.82
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000412525	0	40	-2.0	-107.92	358.17	6.49	-101.43
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C	REAL300000412526	0	40	-2.0	-105.66	365.21	6.82	-98.84
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C	REAL300000412527	0	43	-2.0	-114.53	382.15	7.62	-106.91
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C	REAL300000412528	0	48	-2.0	-104.27	416.45	7.83	-96.44
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000412529	0	40	-2.0	-109.70	363.53	6.51	-103.19
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C	REAL300000412530	0	42	-2.0	-105.97	380.89	7.08	-98.89
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C	REAL300000412531	0	41	-2.0	-121.75	362.42	4.14	-117.61
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C	REAL300000412532	0	43	-2.0	-112.54	374.88	7.20	-105.34
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000412533	0	40	-2.0	-111.34	373.42	6.95	-104.39
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C	REAL300000412534	0	43	-2.0	-117.60	362.78	7.04	-110.56
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000412535	0	43	-2.0	-120.12	377.55	7.07	-113.05
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1C	REAL300000412536	0	43	-2.0	-108.35	368.12	7.19	-101.16
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000412537	0	46	-2.0	-125.45	385.59	7.48	-117.97
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300000412538	0	42	-2.0	-118.88	379.28	7.51	-111.37
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000412539	0	40	-2.0	-110.51	364.46	6.54	-103.97
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C	REAL300000412540	0	46	-2.0	-121.82	387.18	7.78	-114.04
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C	REAL300000412541	0	43	-2.0	-120.66	374.20	7.02	-113.64
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C	REAL300000412542	0	43	-2.0	-119.26	384.47	7.54	-111.72
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C	REAL300000412543	0	43	-2.0	-126.78	377.72	7.11	-119.67
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)CC)C(C)=C2)C=C1C(=O)[O-]	REAL300000412544	0	46	-2.0	-124.15	386.67	7.60	-116.55
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=C1C	REAL300000412545	0	47	-2.0	-124.14	403.18	6.55	-117.59
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C	REAL300000412546	0	43	-2.0	-110.60	378.97	7.60	-103.00
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000412547	0	43	-2.0	-119.21	383.94	7.37	-111.84
CCC(C)N1N=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1C	REAL300000412548	0	44	-2.0	-121.52	380.65	6.63	-114.89
CCC(C)N1N=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=C1C	REAL300000412549	0	52	-2.0	-122.37	417.85	9.29	-113.08
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000412550	0	43	-2.0	-114.99	382.57	7.38	-107.61
CCC(C)N1N=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C	REAL300000412551	0	49	-2.0	-118.19	402.15	8.51	-109.68
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C	REAL300000412552	0	43	-2.0	-110.05	372.77	7.06	-102.99
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C	REAL300000412553	0	45	-2.0	-114.03	395.95	8.60	-105.43
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1C	REAL300000412554	0	43	-2.0	-119.95	372.25	7.25	-112.70
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C	REAL300000412555	0	42	-2.0	-128.93	376.45	8.28	-120.65
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000412556	0	40	-2.0	-125.89	356.36	6.45	-119.44
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000412557	0	43	-2.0	-113.16	373.87	6.99	-106.17
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C	REAL300000412558	0	46	-2.0	-130.61	393.75	8.54	-122.07
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000412559	0	39	-2.0	-119.66	348.92	4.54	-115.12
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1C	REAL300000412560	0	44	-2.0	-113.04	380.91	6.22	-106.82
CCC(C)N1N=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000412561	0	37	-2.0	-108.55	352.85	5.39	-103.16
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C	REAL300000412562	0	47	-2.0	-115.45	398.83	8.30	-107.15
CCC(C)N1N=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C	REAL300000412563	0	47	-2.0	-119.22	398.14	8.30	-110.92
CCC1=C(S(=O)(=O)[N-]C2=NN(C(C)CC)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000412564	0	43	-2.0	-114.80	374.82	6.41	-108.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=C(F)C=C2)C=C1	REAL300000412565	1	40	-2.0	-94.47	365.43	7.57	-86.90
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=C(F)C=C2)=C1	REAL300000412566	1	40	-2.0	-105.27	365.20	7.55	-97.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=C(F)C=C2)=C1	REAL300000412567	0	37	-2.0	-100.24	358.62	6.58	-93.66
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300000412568	0	41	-2.0	-103.72	372.09	6.90	-96.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=C(F)C=C2)=CS1	REAL300000412569	0	37	-2.0	-101.29	357.11	6.59	-94.70
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=C(F)C=C2)C=C(C(=O)[O-])O1	REAL300000412570	0	40	-2.0	-99.49	368.71	6.69	-92.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=C(F)C=C2)S1	REAL300000412571	0	37	-2.0	-97.04	357.69	6.68	-90.36
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=CC=C(F)C=C2)=C1	REAL300000412572	0	39	-2.0	-103.12	357.19	5.66	-97.46
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1C1=CC=C(C)C=C1	REAL300000412573	0	41	-2.0	-120.35	374.91	8.30	-112.05
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1C1=CC=C(C)C=C1	REAL300000412574	0	41	-2.0	-110.12	370.35	8.27	-101.85
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1C1=CC=C(C)C=C1	REAL300000412575	0	41	-2.0	-124.34	370.38	8.26	-116.08
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1C1=CC=C(C)C=C1	REAL300000412576	0	45	-2.0	-109.54	401.82	9.56	-99.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1C1=CC=C(C)C=C1	REAL300000412577	0	44	-2.0	-124.80	386.41	8.80	-116.00
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=NN1C1=CC=C(C)C=C1	REAL300000412578	0	47	-2.0	-127.33	401.60	9.58	-117.75
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1C1=CC=C(C)C=C1	REAL300000412579	0	41	-2.0	-121.71	374.42	8.29	-113.42
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1C1=CC=C(C)C=C1	REAL300000412580	0	47	-2.0	-109.24	413.94	9.86	-99.38
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1C1=CC=C(C)C=C1	REAL300000412581	0	38	-2.0	-117.60	362.13	7.26	-110.34
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1C1=CC=C(C)C=C1	REAL300000412582	0	44	-2.0	-125.08	384.37	9.01	-116.07
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1C1=CC=C(C)C=C1	REAL300000412583	0	42	-2.0	-122.30	377.03	7.62	-114.68
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1C1=CC=C(C)C=C1	REAL300000412584	0	41	-2.0	-113.79	378.04	7.92	-105.87
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=NN1C1=CC=C(C)C=C1	REAL300000412585	0	47	-2.0	-126.59	400.39	9.55	-117.04
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1C1=CC=C(C)C=C1	REAL300000412586	0	38	-2.0	-118.83	362.02	7.29	-111.54
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(C)C=C2)C(C)=C1	REAL300000412587	0	47	-2.0	-123.32	399.09	9.95	-113.37
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1C1=CC=C(C)C=C1	REAL300000412588	0	41	-2.0	-116.97	371.95	7.38	-109.59
CC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1C1=CC=C(C)C=C1	REAL300000412589	0	41	-2.0	-121.06	377.57	8.12	-112.94
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1C1=CC=C(C)C=C1	REAL300000412590	0	41	-2.0	-109.26	374.92	8.31	-100.95
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1C1=CC=C(C)C=C1	REAL300000412591	0	38	-2.0	-112.42	361.20	7.36	-105.06
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1C1=CC=C(C)C=C1	REAL300000412592	0	41	-2.0	-113.78	376.78	8.33	-105.45
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1C1=CC=C(C)C=C1	REAL300000412593	0	41	-2.0	-110.09	374.41	8.30	-101.79
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1C1=CC=C(C)C=C1	REAL300000412594	0	42	-2.0	-124.11	378.65	5.96	-118.15
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1C1=CC=C(C)C=C1	REAL300000412595	0	44	-2.0	-114.47	392.54	9.05	-105.42
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1C1=CC=C(C)C=C1	REAL300000412596	0	44	-2.0	-120.08	379.01	8.86	-111.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1C1=CC=C(C)C=C1	REAL300000412597	0	44	-2.0	-110.52	384.35	9.00	-101.52
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=NN1C1=CC=C(C)C=C1	REAL300000412598	0	47	-2.0	-128.25	406.95	9.44	-118.81
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1C1=CC=C(C)C=C1	REAL300000412599	0	47	-2.0	-124.20	403.43	9.61	-114.59
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(C)C=C3)C(C)=C2)C=C1C(=O)[O-]	REAL300000412600	0	47	-2.0	-125.61	404.58	9.45	-116.16
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(C)C=C3)C(C)=C2)C=C1C(=O)[O-]	REAL300000412601	0	45	-2.0	-123.61	398.40	8.49	-115.12
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1C1=CC=C(C)C=C1	REAL300000412602	0	44	-2.0	-110.36	386.61	8.82	-101.54
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1C1=CC=C(C)C=C1	REAL300000412603	0	41	-2.0	-128.51	372.60	8.27	-120.24
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1C1=CC=C(C)C=C1	REAL300000412604	0	40	-2.0	-121.70	365.15	6.36	-115.34
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1C1=CC=C(C)C=C1	REAL300000412605	0	38	-2.0	-110.58	369.08	7.21	-103.37
CCC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(C)C=C3)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000412606	0	44	-2.0	-116.84	391.07	8.23	-108.61
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000412607	0	42	-2.0	-105.22	379.86	0.76	-104.46
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000412608	0	42	-2.0	-95.82	375.29	0.74	-95.08
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000412609	0	42	-2.0	-107.13	375.30	0.73	-106.40
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000412610	0	46	-2.0	-95.07	406.75	2.03	-93.04
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CNC(=O)OC(C)(C)C)C=C1C(=O)[O-]	REAL300000412611	0	45	-2.0	-108.10	391.35	1.27	-106.83
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000412612	0	42	-2.0	-103.11	380.78	0.80	-102.31
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000412613	0	39	-2.0	-101.89	368.49	-0.24	-102.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CNC(=O)OC(C)(C)C	REAL300000412614	0	45	-2.0	-106.61	390.74	1.50	-105.11
CN1C=C(S(=O)(=O)[N-]NC(=O)CNC(=O)OC(C)(C)C)C=C1C(=O)[O-]	REAL300000412615	0	43	-2.0	-106.02	381.95	0.09	-105.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)CNC(=O)OC(C)(C)C)=C1	REAL300000412616	0	42	-2.0	-98.22	384.42	0.42	-97.80
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000412617	0	39	-2.0	-103.26	366.95	-0.22	-103.48
CC1=C(S(=O)(=O)[N-]NC(=O)CNC(=O)OC(C)(C)C)C=C(C(=O)[O-])O1	REAL300000412618	0	42	-2.0	-100.94	378.31	-0.12	-101.06
CC1=C(S(=O)(=O)[N-]NC(=O)CNC(=O)OC(C)(C)C)C=C(C(=O)[O-])S1	REAL300000412619	0	42	-2.0	-103.64	383.90	0.63	-103.01
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000412620	0	42	-2.0	-95.66	379.83	0.77	-94.89
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000412621	0	39	-2.0	-97.16	367.57	-0.14	-97.30
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000412622	0	42	-2.0	-98.54	381.72	0.80	-97.74
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000412623	0	42	-2.0	-95.06	380.76	0.80	-94.26
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000412624	0	43	-2.0	-104.92	385.02	-1.54	-106.46
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000412624	1	42	-3.0	-199.66	381.45	-0.66	-200.32
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000412625	0	45	-2.0	-97.79	397.47	1.52	-96.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)CNC(=O)OC(C)(C)C	REAL300000412626	0	45	-2.0	-104.60	384.85	1.33	-103.27
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CNC(=O)OC(C)(C)C	REAL300000412627	0	45	-2.0	-95.92	390.30	1.45	-94.47
CCN1C=C(S(=O)(=O)[N-]NC(=O)CNC(=O)OC(C)(C)C)C=C1C(=O)[O-]	REAL300000412628	0	46	-2.0	-107.35	403.31	0.94	-106.41
CC1=CC(S(=O)(=O)[N-]NC(=O)CNC(=O)OC(C)(C)C)=CC=C1C(=O)[O-]	REAL300000412629	0	45	-2.0	-95.79	391.31	1.28	-94.51
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000412630	0	42	-2.0	-112.23	378.96	0.77	-111.46
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000412631	0	41	-2.0	-102.77	372.29	-1.21	-103.98
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000412632	0	39	-2.0	-95.60	375.44	-0.29	-95.89
CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000412632	1	38	-3.0	-188.17	372.26	-1.07	-189.24
CCC1=C(S(=O)(=O)[N-]NC(=O)CNC(=O)OC(C)(C)C)C=C(C(=O)[O-])O1	REAL300000412633	0	45	-2.0	-100.66	397.46	0.66	-100.00
CC1=CC(Br)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000412634	0	32	-2.0	-93.52	311.15	5.67	-87.85
CC1=CC(Br)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000412635	0	32	-2.0	-104.63	311.16	5.66	-98.97
CC1=CC(Br)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000412636	0	29	-2.0	-99.75	304.35	4.72	-95.03
CC1=CC(Br)=C(O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000412637	0	33	-2.0	-103.38	317.81	5.05	-98.33
CC1=CC(Br)=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000412638	0	29	-2.0	-100.89	302.81	4.73	-96.16
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(Br)=C2O)C=C(C(=O)[O-])O1	REAL300000412639	0	32	-2.0	-99.54	314.17	4.81	-94.73
CC1=CC(Br)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000412640	0	29	-2.0	-95.58	303.42	4.83	-90.75
CC1=CC(Br)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000412641	0	31	-2.0	-104.00	307.39	3.82	-100.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CC=N4)OC3=C2)C=C1	REAL300000412642	1	39	-2.0	-98.77	363.66	3.98	-94.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CC=N4)OC3=C2)=C1	REAL300000412643	1	39	-2.0	-110.67	363.69	3.97	-106.70
CN1C=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CC=N4)OC3=C2)C=C1C(=O)[O-]	REAL300000412644	0	40	-2.0	-109.21	370.33	3.32	-105.89
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CC=N4)OC3=C2)C=C(C(=O)[O-])O1	REAL300000412645	0	39	-2.0	-104.47	366.69	3.11	-101.36
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CC=N4)OC3=C2)=C1	REAL300000412646	0	38	-2.0	-106.80	360.68	2.03	-104.77
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000412647	1	42	-2.0	-111.34	379.50	6.74	-104.60
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000412648	1	42	-2.0	-101.09	374.95	6.72	-94.37
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000412649	1	42	-2.0	-114.13	374.96	6.71	-107.42
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000412650	1	45	-2.0	-115.32	390.98	7.25	-108.07
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000412651	0	42	-2.0	-111.24	380.44	6.78	-104.46
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000412652	0	39	-2.0	-108.16	368.15	5.74	-102.42
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C21	REAL300000412653	1	45	-2.0	-114.54	390.39	7.51	-107.03
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C21	REAL300000412654	0	43	-2.0	-112.44	381.61	6.07	-106.37
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C21	REAL300000412655	0	42	-2.0	-104.11	384.07	6.40	-97.71
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000412656	0	39	-2.0	-109.66	366.61	5.76	-103.90
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C21	REAL300000412657	0	42	-2.0	-107.31	377.97	5.86	-101.45
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C21	REAL300000412658	0	42	-2.0	-110.65	384.65	6.61	-104.04
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000412659	1	42	-2.0	-100.43	379.49	6.75	-93.68
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000412660	0	39	-2.0	-102.88	367.23	5.84	-97.04
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000412661	1	42	-2.0	-104.75	381.37	6.78	-97.97
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000412662	0	42	-2.0	-100.74	380.42	6.78	-93.96
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000412663	0	43	-2.0	-113.23	384.68	4.41	-108.82
COCCN1C=CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000412663	1	43	-2.0	-109.20	373.70	5.31	-103.89
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000412664	1	45	-2.0	-104.66	397.13	7.50	-97.16
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C21	REAL300000412665	1	45	-2.0	-110.45	385.03	7.35	-103.10
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C21	REAL300000412666	1	45	-2.0	-101.15	390.37	7.50	-93.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C=CN(CCOC)C3=C2)C=C1C(=O)[O-]	REAL300000412667	0	46	-2.0	-113.75	402.91	6.92	-106.83
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C21	REAL300000412668	1	45	-2.0	-101.35	390.97	7.26	-94.09
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000412669	0	42	-2.0	-118.76	378.62	6.75	-112.01
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000412670	0	41	-2.0	-111.96	371.18	4.85	-107.11
COCCN1C=CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000412671	0	39	-2.0	-101.21	375.10	5.69	-95.52
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C=CN(CCOC)C3=C2)C=C(C(=O)[O-])O1	REAL300000412672	0	45	-2.0	-107.02	397.09	6.71	-100.31
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1O	REAL300000412673	0	40	-2.0	-91.45	362.11	0.77	-90.68
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000412674	0	33	-2.0	-108.67	310.17	2.21	-106.46
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1O	REAL300000412675	0	41	-2.0	-107.83	365.26	3.27	-104.56
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300000412676	0	33	-2.0	-97.91	305.63	2.19	-95.72
COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1O	REAL300000412677	0	33	-2.0	-109.57	305.64	2.18	-107.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1O	REAL300000412678	0	37	-2.0	-116.03	333.77	1.97	-114.06
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1O	REAL300000412679	0	37	-2.0	-97.52	337.10	3.48	-94.04
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000412680	0	36	-2.0	-110.72	321.66	2.72	-108.00
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1O	REAL300000412681	0	33	-2.0	-104.90	318.71	2.77	-102.13
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000412682	0	33	-2.0	-107.03	318.14	2.58	-104.45
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1O	REAL300000412683	0	33	-2.0	-101.66	331.20	3.14	-98.52
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1O	REAL300000412684	0	39	-2.0	-113.69	338.31	3.52	-110.17
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1O	REAL300000412685	0	33	-2.0	-106.86	311.12	2.25	-104.61
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1O	REAL300000412686	0	39	-2.0	-96.80	349.22	3.75	-93.05
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1O	REAL300000412687	0	30	-2.0	-105.27	298.83	1.20	-104.07
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1O	REAL300000412688	0	36	-2.0	-111.51	321.07	2.96	-108.55
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1O	REAL300000412689	0	37	-2.0	-96.04	336.72	2.47	-93.57
COC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1O	REAL300000412690	0	34	-2.0	-109.45	312.29	1.53	-107.92
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1O	REAL300000412691	0	37	-2.0	-112.06	329.42	1.02	-111.04
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1O	REAL300000412692	0	33	-2.0	-100.53	314.75	1.87	-98.66
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1O	REAL300000412693	0	39	-2.0	-112.74	337.10	3.49	-109.25
COC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1O	REAL300000412694	0	30	-2.0	-105.43	297.29	1.22	-104.21
COC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1O	REAL300000412695	0	41	-2.0	-110.14	363.97	1.99	-108.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2O)C=C1C(=O)[O-]	REAL300000412696	0	37	-2.0	-117.09	332.93	2.25	-114.84
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1O	REAL300000412697	0	43	-2.0	-113.75	360.88	4.81	-108.94
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1O	REAL300000412698	0	42	-2.0	-111.88	359.54	4.19	-107.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1O	REAL300000412699	0	39	-2.0	-109.58	335.77	3.90	-105.68
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1O	REAL300000412700	0	40	-2.0	-115.58	356.07	2.75	-112.83
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000412701	0	35	-3.0	-186.14	334.04	2.75	-183.39
COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000412701	1	36	-2.0	-107.32	334.00	2.68	-104.64
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1O	REAL300000412702	0	40	-2.0	-114.08	349.88	4.08	-110.00
COC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1O	REAL300000412703	0	33	-2.0	-103.23	308.65	1.32	-101.91
COC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1O	REAL300000412704	0	39	-2.0	-115.93	347.80	1.96	-113.97
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1O	REAL300000412705	0	37	-2.0	-111.23	334.56	1.26	-109.97
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1O	REAL300000412706	0	41	-2.0	-96.17	358.57	2.78	-93.39
COC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000412707	0	33	-2.0	-100.63	333.32	3.02	-97.61
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1O	REAL300000412708	0	33	-2.0	-101.55	323.24	2.77	-98.78
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1O	REAL300000412709	0	37	-2.0	-94.47	352.73	3.01	-91.46
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1O	REAL300000412710	0	40	-2.0	-96.49	356.80	3.16	-93.33
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1O	REAL300000412711	0	43	-2.0	-95.02	385.38	3.44	-91.58
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1O	REAL300000412712	0	36	-2.0	-102.00	326.35	2.99	-99.01
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1O	REAL300000412713	0	46	-2.0	-96.50	399.25	4.09	-92.41
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1O	REAL300000412714	0	37	-2.0	-95.36	342.93	2.53	-92.83
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2O)C=C1C(=O)[O-]	REAL300000412715	0	40	-2.0	-115.96	354.78	3.16	-112.80
COC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1O	REAL300000412716	0	33	-2.0	-107.72	315.33	2.06	-105.66
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1O	REAL300000412717	0	33	-2.0	-98.83	333.87	3.20	-95.63
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1O	REAL300000412718	0	33	-2.0	-95.51	318.69	2.75	-92.76
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1O	REAL300000412719	0	33	-2.0	-97.25	310.15	2.22	-95.03
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1O	REAL300000412720	0	30	-2.0	-99.36	297.90	1.31	-98.05
COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1O	REAL300000412721	0	33	-2.0	-100.62	312.06	2.24	-98.38
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1O	REAL300000412722	0	36	-2.0	-108.28	331.39	2.88	-105.40
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC)=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000412723	0	37	-2.0	-99.93	345.94	2.81	-97.12
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1O	REAL300000412724	0	33	-2.0	-97.65	311.10	2.25	-95.40
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1O	REAL300000412725	0	33	-2.0	-95.38	318.12	2.59	-92.79
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1O	REAL300000412726	0	36	-2.0	-103.72	335.08	3.38	-100.34
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1O	REAL300000412727	0	41	-2.0	-94.14	369.38	3.60	-90.54
COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000412728	0	33	-2.0	-100.00	316.46	2.27	-97.73
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1O	REAL300000412729	0	35	-2.0	-94.94	333.83	2.84	-92.10
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1O	REAL300000412730	0	34	-2.0	-108.50	315.35	-0.10	-108.60
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1O	REAL300000412731	0	36	-2.0	-102.75	327.82	2.95	-99.80
COC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000412732	0	33	-2.0	-101.47	326.35	2.71	-98.76
COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1O	REAL300000412733	0	36	-2.0	-107.67	315.68	2.81	-104.86
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000412734	0	36	-2.0	-108.34	330.47	2.83	-105.51
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1O	REAL300000412735	0	36	-2.0	-97.70	321.05	2.95	-94.75
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000412736	0	39	-2.0	-114.32	339.10	3.26	-111.06
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1O	REAL300000412737	0	35	-2.0	-109.63	332.19	3.28	-106.35
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1O	REAL300000412738	0	33	-2.0	-98.85	317.37	2.31	-96.54
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1O	REAL300000412739	0	39	-2.0	-110.76	339.17	3.59	-107.17
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1O	REAL300000412740	0	36	-2.0	-109.99	330.96	2.87	-107.12
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1O	REAL300000412741	0	36	-2.0	-106.63	337.42	3.32	-103.31
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1O	REAL300000412742	0	36	-2.0	-114.77	330.67	2.87	-111.90
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2O)C=C1C(=O)[O-]	REAL300000412743	0	39	-2.0	-111.37	339.96	3.37	-108.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2O)C=C1CC(=O)[O-]	REAL300000412744	0	40	-2.0	-111.08	356.11	2.31	-108.77
COC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1O	REAL300000412745	0	36	-2.0	-99.51	331.90	3.36	-96.15
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1O	REAL300000412746	0	36	-2.0	-94.38	335.75	3.00	-91.38
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000412747	0	36	-2.0	-107.21	336.86	3.14	-104.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2O)C=C1C(=O)[O-]	REAL300000412748	0	37	-2.0	-110.77	333.58	2.39	-108.38
COC1=CC=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1O	REAL300000412749	0	45	-2.0	-110.49	370.79	5.05	-105.44
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1O	REAL300000412750	0	33	-2.0	-97.99	331.25	2.74	-95.25
COC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000412751	0	36	-2.0	-104.48	335.51	3.14	-101.34
COC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1O	REAL300000412752	0	42	-2.0	-107.62	355.09	4.31	-103.31
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2O)C=C1C(=O)[O-]	REAL300000412753	0	37	-2.0	-110.32	345.96	2.81	-107.51
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1O	REAL300000412754	0	36	-2.0	-98.17	321.64	2.73	-95.44
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1O	REAL300000412755	0	38	-2.0	-102.52	348.89	4.38	-98.14
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1O	REAL300000412756	0	36	-2.0	-106.98	325.59	3.00	-103.98
COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1O	REAL300000412757	0	35	-2.0	-116.66	329.36	4.03	-112.63
COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1O	REAL300000412758	0	33	-2.0	-113.96	309.28	2.21	-111.75
COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000412759	0	36	-2.0	-102.74	326.81	2.75	-99.99
COC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1O	REAL300000412760	0	39	-2.0	-117.85	346.68	4.30	-113.55
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1O	REAL300000412761	0	32	-2.0	-108.66	301.85	0.30	-108.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1O	REAL300000412762	0	37	-2.0	-102.02	333.84	1.98	-100.04
COC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1O	REAL300000412763	0	30	-2.0	-97.57	305.74	1.15	-96.42
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1O	REAL300000412764	0	40	-2.0	-103.82	351.77	4.06	-99.76
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1O	REAL300000412765	0	40	-2.0	-108.39	349.73	4.04	-104.35
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2O)C=C(C(=O)[O-])O1	REAL300000412766	0	36	-2.0	-104.33	327.76	2.17	-102.16
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(OC)=C1C(C)C	REAL300000412767	1	45	-2.0	-105.68	382.69	6.06	-99.62
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(OC)=C1C(C)C	REAL300000412768	1	45	-2.0	-95.57	378.13	6.04	-89.53
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(OC)=C1C(C)C	REAL300000412769	1	45	-2.0	-108.27	378.16	6.03	-102.24
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(OC)=C1C(C)C	REAL300000412770	1	48	-2.0	-109.46	394.18	6.57	-102.89
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(OC)=C1C(C)C	REAL300000412771	0	45	-2.0	-105.49	383.64	6.10	-99.39
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(OC)=C1C(C)C	REAL300000412772	0	42	-2.0	-102.42	371.34	5.05	-97.37
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(OC)=C1C(C)C	REAL300000412773	1	48	-2.0	-109.10	393.59	6.83	-102.27
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(OC)=C1C(C)C	REAL300000412774	0	46	-2.0	-106.61	384.81	5.39	-101.22
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC(OC)=C1C(C)C	REAL300000412775	0	45	-2.0	-98.47	387.27	5.72	-92.75
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(OC)=C1C(C)C	REAL300000412776	0	42	-2.0	-103.87	369.81	5.07	-98.80
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC(OC)=C1C(C)C	REAL300000412777	0	45	-2.0	-101.96	381.17	5.17	-96.79
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC(OC)=C1C(C)C	REAL300000412778	0	45	-2.0	-105.43	386.78	5.93	-99.50
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(OC)=C1C(C)C	REAL300000412779	1	45	-2.0	-94.99	382.68	6.07	-88.92
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(OC)=C1C(C)C	REAL300000412780	0	42	-2.0	-97.28	370.43	5.16	-92.12
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(OC)=C1C(C)C	REAL300000412781	1	45	-2.0	-99.01	384.57	6.10	-92.91
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(OC)=C1C(C)C	REAL300000412782	0	45	-2.0	-95.07	383.61	6.11	-88.96
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(OC)=C1C(C)C	REAL300000412783	0	46	-2.0	-108.01	387.88	3.74	-104.27
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(OC)=C1C(C)C	REAL300000412783	1	46	-2.0	-106.20	383.64	4.56	-101.64
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(OC)=C1C(C)C	REAL300000412784	1	48	-2.0	-99.14	400.32	6.82	-92.32
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(OC)=C1C(C)C	REAL300000412785	1	48	-2.0	-105.50	392.00	6.76	-98.74
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC(OC)=C1C(C)C	REAL300000412786	1	48	-2.0	-95.76	393.57	6.82	-88.94
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(C(C)C)C(OC)=C2)C=C1C(=O)[O-]	REAL300000412787	0	49	-2.0	-107.85	406.11	6.24	-101.61
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(OC)=C1C(C)C	REAL300000412788	1	48	-2.0	-97.33	398.23	6.68	-90.65
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(OC)=C1C(C)C	REAL300000412789	0	45	-2.0	-112.45	381.82	6.07	-106.38
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(OC)=C1C(C)C	REAL300000412790	0	44	-2.0	-105.96	374.37	4.16	-101.80
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=C(C(C)C)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000412791	0	48	-2.0	-101.90	400.29	6.03	-95.87
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1C1=CC=CC(F)=C1	REAL300000412792	0	38	-2.0	-122.63	359.91	7.69	-114.94
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1C1=CC=CC(F)=C1	REAL300000412793	0	38	-2.0	-104.78	353.94	7.63	-97.15
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1C1=CC=CC(F)=C1	REAL300000412794	0	38	-2.0	-125.84	355.38	7.66	-118.18
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CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1C1=CC=CC(F)=C1	REAL300000412798	0	41	-2.0	-119.25	369.43	8.41	-110.84
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CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1C1=CC=CC(F)=C1	REAL300000412807	0	38	-2.0	-104.31	359.46	7.70	-96.61
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1C1=CC=CC(F)=C1	REAL300000412810	0	41	-2.0	-113.84	364.05	8.25	-105.59
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1C1=CC=CC(F)=C1	REAL300000412811	0	41	-2.0	-111.56	370.79	8.43	-103.13
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC(F)=C3)C(C)=C2)C=C1C(=O)[O-]	REAL300000412812	0	42	-2.0	-125.01	383.40	7.89	-117.12
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1C1=CC=CC(F)=C1	REAL300000412814	0	38	-2.0	-127.76	359.04	7.69	-120.07
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1C1=CC=CC(F)=C1	REAL300000412815	0	37	-2.0	-123.22	351.59	5.78	-117.44
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1C1=CC=CC(F)=C1	REAL300000412816	0	35	-2.0	-105.01	354.10	6.59	-98.42
CCC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC(F)=C3)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000412817	0	41	-2.0	-111.25	376.12	7.62	-103.63
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1C1=CC(C)=CC(C)=C1	REAL300000412818	0	44	-2.0	-110.96	391.78	8.92	-102.04
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1C1=CC(C)=CC(C)=C1	REAL300000412819	0	44	-2.0	-125.39	391.74	8.91	-116.48
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1C1=CC(C)=CC(C)=C1	REAL300000412820	0	47	-2.0	-125.88	408.01	9.47	-116.41
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1C1=CC(C)=CC(C)=C1	REAL300000412821	0	41	-2.0	-118.62	384.98	7.94	-110.68
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1C1=CC(C)=CC(C)=C1	REAL300000412822	0	47	-2.0	-126.11	405.78	9.66	-116.45
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1C1=CC(C)=CC(C)=C1	REAL300000412823	0	45	-2.0	-122.98	397.00	8.23	-114.75
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1C1=CC(C)=CC(C)=C1	REAL300000412826	0	41	-2.0	-112.90	384.00	8.04	-104.86
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1C1=CC(C)=CC(C)=C1	REAL300000412828	0	47	-2.0	-120.18	402.39	9.57	-110.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1C1=CC(C)=CC(C)=C1	REAL300000412829	0	47	-2.0	-111.22	407.20	9.68	-101.54
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=CC=CC=C21	REAL300000412834	0	41	-2.0	-111.99	365.49	6.63	-105.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412836	0	33	-2.0	-113.45	305.88	5.54	-107.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=CC=CC=C21	REAL300000412837	0	37	-2.0	-119.40	334.00	5.34	-114.06
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1	REAL300000412838	0	37	-2.0	-99.86	337.32	6.83	-93.03
CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000412839	0	36	-2.0	-114.66	321.89	6.07	-108.59
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412840	0	33	-2.0	-109.06	318.95	6.11	-102.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=CC=C1Cl	REAL300000412841	0	33	-2.0	-109.03	318.39	5.93	-103.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C(Cl)C=C1Cl	REAL300000412842	0	33	-2.0	-104.40	331.44	6.49	-97.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1C	REAL300000412843	0	39	-2.0	-116.42	338.27	6.85	-109.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412844	0	33	-2.0	-111.26	311.34	5.60	-105.66
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1	REAL300000412845	0	39	-2.0	-99.36	349.44	7.12	-92.24
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412846	0	30	-2.0	-107.40	299.07	4.56	-102.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=CC=CC=C21	REAL300000412847	0	36	-2.0	-114.54	321.31	6.32	-108.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1	REAL300000412848	0	37	-2.0	-98.48	336.94	5.81	-92.67
CN1C=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000412849	0	34	-2.0	-111.44	312.52	4.90	-106.54
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=CC=CC=C21	REAL300000412850	0	37	-2.0	-115.17	329.66	4.37	-110.80
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412851	0	33	-2.0	-103.42	314.98	5.22	-98.20
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000412852	0	39	-2.0	-115.82	337.32	6.86	-108.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=CS1	REAL300000412853	0	30	-2.0	-108.88	297.52	4.57	-104.31
COC1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=CC(C(=O)[O-])=C1OC	REAL300000412854	0	41	-2.0	-113.42	364.20	5.35	-108.07
COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000412855	0	37	-2.0	-119.15	333.17	5.61	-113.54
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412856	0	43	-2.0	-118.57	361.11	8.18	-110.39
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=CC=CC=C21	REAL300000412857	0	42	-2.0	-116.79	359.77	7.55	-109.24
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=CC=CC=C21	REAL300000412858	0	39	-2.0	-112.63	334.27	7.20	-105.43
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=CC=CC=C21	REAL300000412859	0	40	-2.0	-119.64	356.30	6.11	-113.53
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412860	0	35	-3.0	-189.66	334.28	6.10	-183.56
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CN=CC3=CC=CC=C32)=C1	REAL300000412860	1	36	-2.0	-113.77	333.47	6.02	-107.75
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412861	0	40	-2.0	-118.87	350.12	7.44	-111.43
CC1=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000412862	0	33	-2.0	-106.95	308.88	4.68	-102.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=CC2=C1OCCO2	REAL300000412863	0	39	-2.0	-117.95	348.05	5.31	-112.64
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412864	0	37	-2.0	-113.82	334.79	4.63	-109.19
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN=CC4=CC=CC=C43)C=C2C1	REAL300000412865	0	41	-2.0	-99.30	358.80	6.13	-93.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=CC(Cl)=C1Cl	REAL300000412866	0	33	-2.0	-102.53	333.55	6.39	-96.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C(Cl)C=C1F	REAL300000412867	0	33	-2.0	-105.33	323.46	6.13	-99.20
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1Cl	REAL300000412868	0	37	-2.0	-96.88	352.99	6.35	-90.53
CC1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=CC=C1OCC(=O)[O-]	REAL300000412869	0	40	-2.0	-98.95	357.03	6.52	-92.43
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=CC=CC=C21	REAL300000412870	0	36	-2.0	-104.97	326.17	6.37	-98.60
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1F	REAL300000412871	0	37	-2.0	-97.75	343.19	5.88	-91.87
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000412872	0	40	-2.0	-119.80	355.03	6.52	-113.28
CC1=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300000412873	0	33	-2.0	-110.52	315.57	5.42	-105.10
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412874	0	33	-2.0	-102.44	334.10	6.56	-95.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C(Cl)=C1	REAL300000412875	0	33	-2.0	-97.57	318.93	6.10	-91.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1F	REAL300000412876	0	33	-2.0	-99.60	310.41	5.58	-94.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)S1	REAL300000412877	0	30	-2.0	-102.18	298.14	4.67	-97.51
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412878	0	33	-2.0	-103.93	312.28	5.61	-98.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1F	REAL300000412879	0	36	-2.0	-112.65	331.63	6.24	-106.41
COC1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C(Cl)C=C1C(=O)[O-]	REAL300000412880	0	37	-2.0	-102.03	346.18	6.17	-95.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C(F)=C1	REAL300000412881	0	33	-2.0	-99.87	311.34	5.61	-94.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1Cl	REAL300000412882	0	33	-2.0	-97.74	318.38	5.94	-91.80
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=CC=CC=C21	REAL300000412883	0	36	-2.0	-106.71	334.91	6.76	-99.95
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1	REAL300000412884	0	41	-2.0	-96.51	369.61	6.95	-89.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=CC(F)=C1F	REAL300000412885	0	33	-2.0	-101.76	316.70	5.63	-96.13
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412886	0	35	-2.0	-97.95	334.06	6.21	-91.74
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412887	0	34	-2.0	-113.59	315.59	3.25	-110.34
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1	REAL300000412888	0	36	-2.0	-104.54	328.04	6.31	-98.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=CC(Cl)=C1F	REAL300000412889	0	33	-2.0	-103.27	326.58	6.07	-97.20
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=CC2=CC=CC=C21	REAL300000412890	0	36	-2.0	-108.93	315.91	6.17	-102.76
CC1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=CC(C(=O)[O-])=C1F	REAL300000412891	0	36	-2.0	-111.86	330.72	6.19	-105.67
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=CC2=CC=CC=C21	REAL300000412892	0	36	-2.0	-100.27	321.29	6.31	-93.96
CC1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000412893	0	39	-2.0	-116.58	339.34	6.62	-109.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=CC=C1[N+](=O)[O-]	REAL300000412894	0	35	-2.0	-110.94	332.43	6.64	-104.30
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412895	0	33	-2.0	-102.46	317.63	5.67	-96.79
CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C(C)=C1C(=O)[O-]	REAL300000412896	0	39	-2.0	-113.35	339.41	6.95	-106.40
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000412897	0	36	-2.0	-113.54	331.19	6.24	-107.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1Cl	REAL300000412898	0	36	-2.0	-110.87	337.64	6.68	-104.19
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412899	0	36	-2.0	-117.97	330.91	6.23	-111.74
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000412900	0	39	-2.0	-115.37	340.20	6.73	-108.64
COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1CC(=O)[O-]	REAL300000412901	0	40	-2.0	-115.30	356.35	5.66	-109.64
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN=CC2=CC=CC=C21	REAL300000412902	0	36	-2.0	-102.07	332.14	6.73	-95.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1C(F)(F)F	REAL300000412903	0	36	-2.0	-96.65	335.99	6.35	-90.30
CC1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=CC(C(=O)[O-])=C1Cl	REAL300000412904	0	36	-2.0	-110.79	337.11	6.50	-104.29
CCN1C=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000412905	0	37	-2.0	-112.71	333.83	5.75	-106.96
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C(C)=C1CC(=O)[O-]	REAL300000412906	0	45	-2.0	-113.15	371.02	8.41	-104.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C(F)C(Cl)=C1F	REAL300000412907	0	33	-2.0	-100.83	331.48	6.10	-94.73
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000412908	0	36	-2.0	-106.60	335.74	6.51	-100.09
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300000412909	0	42	-2.0	-109.40	355.75	7.64	-101.76
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000412910	0	37	-2.0	-114.50	346.19	6.18	-108.32
CC1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000412911	0	36	-2.0	-100.50	321.88	6.08	-94.42
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C([N+](=O)[O-])=C1	REAL300000412912	0	38	-2.0	-105.10	349.16	7.73	-97.37
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=CC=CC=C21	REAL300000412913	0	36	-2.0	-111.87	325.41	6.37	-105.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1[N+](=O)[O-]	REAL300000412914	0	35	-2.0	-120.34	329.60	7.39	-112.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1F	REAL300000412915	0	33	-2.0	-117.24	309.51	5.57	-111.67
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000412916	0	36	-2.0	-104.82	327.04	6.11	-98.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=CC2=CC=CC=C21	REAL300000412917	0	39	-2.0	-121.68	346.92	7.67	-114.01
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C1	REAL300000412918	0	32	-2.0	-111.09	302.86	3.60	-107.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=CC2=CC=CC=C21	REAL300000412919	0	37	-2.0	-104.62	334.08	5.33	-99.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)=C(Cl)O1	REAL300000412920	0	30	-2.0	-100.56	305.98	4.51	-96.05
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN=CC4=CC=CC=C43)C=C2)CC1	REAL300000412921	0	40	-2.0	-107.30	352.00	7.42	-99.88
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN=CC4=CC=CC=C43)C=C2C1	REAL300000412922	0	40	-2.0	-101.68	350.96	7.42	-94.26
CCC1=C(S(=O)(=O)[N-]C2=CN=CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000412923	0	36	-2.0	-106.64	327.99	5.54	-101.10
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000412924	1	33	-2.0	-101.00	329.85	0.06	-100.94
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000412925	1	33	-2.0	-93.05	325.36	0.03	-93.02
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000412926	0	33	-2.0	-105.11	325.32	0.02	-105.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000412927	1	36	-2.0	-104.35	345.44	0.67	-103.68
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000412928	0	33	-2.0	-98.97	330.79	0.09	-98.88
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000412929	0	30	-2.0	-96.61	318.50	-0.96	-97.57
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(N)(=O)=O)C(F)=C1	REAL300000412930	1	36	-2.0	-102.97	340.81	0.81	-102.16
CN1C=C(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000412931	0	34	-2.0	-103.32	331.96	-0.62	-103.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(F)=C2)=C1	REAL300000412932	0	33	-2.0	-95.36	334.49	-0.29	-95.65
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000412933	0	30	-2.0	-100.34	317.02	-0.95	-101.29
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000412934	0	33	-2.0	-96.72	328.38	-0.84	-97.56
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000412935	0	33	-2.0	-99.59	333.92	-0.08	-99.67
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000412936	0	33	-2.0	-90.90	329.88	0.06	-90.84
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000412937	0	30	-2.0	-92.52	317.59	-0.84	-93.36
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000412938	0	33	-2.0	-93.15	331.72	0.10	-93.05
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000412939	0	33	-2.0	-91.61	330.78	0.10	-91.51
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000412940	0	34	-2.0	-102.02	335.08	-2.26	-104.28
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000412941	0	36	-2.0	-94.19	347.54	0.81	-93.38
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(S(N)(=O)=O)C(F)=C1	REAL300000412942	1	36	-2.0	-99.84	335.44	0.66	-99.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(S(N)(=O)=O)C(F)=C1	REAL300000412943	1	36	-2.0	-93.23	340.73	0.80	-92.43
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000412944	0	37	-2.0	-104.97	353.39	0.23	-104.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000412945	1	36	-2.0	-92.65	341.32	0.57	-92.08
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000412946	0	33	-2.0	-107.15	328.93	0.05	-107.10
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000412947	0	32	-2.0	-102.42	321.55	-1.85	-104.27
NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000412948	0	30	-2.0	-90.92	325.51	-1.00	-91.92
CCC1=C(S(=O)(=O)[N-]C2=CC=C(S(N)(=O)=O)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000412949	0	36	-2.0	-100.16	347.52	0.01	-100.15
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCN3CCOC4=CC=CC2=C43)=C1	REAL300000412983	0	40	-2.0	-110.71	335.23	3.55	-107.16
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N2C=NN=N2)=CC=C1F	REAL300000413006	1	37	-2.0	-118.61	343.85	5.14	-113.47
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)=C1	REAL300000413010	1	33	-2.0	-110.81	321.19	5.41	-105.40
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)=C1	REAL300000413012	0	30	-2.0	-108.66	308.90	4.38	-104.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)=C1	REAL300000413017	1	33	-2.0	-104.89	324.82	5.04	-99.85
CC1=C(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000413022	1	33	-2.0	-107.93	318.72	4.49	-103.44
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)=C1	REAL300000413023	1	37	-2.0	-115.28	344.70	4.43	-110.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)S1	REAL300000413028	1	30	-2.0	-103.64	307.97	4.48	-99.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)=C1F	REAL300000413030	1	36	-2.0	-112.26	341.51	6.04	-106.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)C(F)=C1	REAL300000413031	1	33	-2.0	-101.39	321.23	5.42	-95.97
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(N3C=NN=N3)=CC=C2F)=C1	REAL300000413033	0	34	-2.0	-112.47	324.27	3.81	-108.66
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)=C1	REAL300000413039	1	33	-2.0	-102.74	327.50	5.47	-97.27
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)C=C1C(=O)[O-]	REAL300000413041	1	36	-2.0	-113.11	341.03	6.04	-107.07
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)=C1	REAL300000413042	1	36	-2.0	-119.75	340.74	6.03	-113.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)=C1F	REAL300000413047	1	33	-2.0	-118.88	319.35	5.37	-113.51
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)=C1	REAL300000413049	0	32	-2.0	-112.01	311.92	3.48	-108.53
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(N2C=NN=N2)=CC=C1F	REAL300000413050	1	37	-2.0	-105.80	343.97	5.14	-100.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)=C(Cl)O1	REAL300000413051	0	30	-2.0	-102.04	315.81	4.34	-97.70
CCC1=C(S(=O)(=O)[N-]C2=CC(N3C=NN=N3)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000413052	1	36	-2.0	-107.58	337.84	5.33	-102.25
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C	REAL300000413053	1	42	-2.0	-88.92	379.31	5.27	-83.65
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000413054	1	35	-2.0	-105.54	327.39	6.71	-98.83
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(SC)=C1C	REAL300000413055	0	43	-2.0	-106.34	382.48	7.78	-98.56
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000413056	1	35	-2.0	-95.52	322.85	6.69	-88.83
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000413057	1	35	-2.0	-108.18	322.86	6.68	-101.50
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(SC)=C1C	REAL300000413058	0	39	-2.0	-113.58	351.00	6.48	-107.10
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C	REAL300000413059	1	39	-2.0	-94.99	354.31	7.98	-87.01
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000413060	1	38	-2.0	-109.40	338.88	7.21	-102.19
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C	REAL300000413061	0	35	-2.0	-103.62	335.93	7.25	-96.37
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000413062	1	35	-2.0	-104.00	335.36	7.07	-96.93
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C	REAL300000413063	1	41	-2.0	-110.75	355.97	8.01	-102.74
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000413064	0	35	-2.0	-105.46	328.34	6.74	-98.72
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300000413065	1	41	-2.0	-94.35	366.43	8.26	-86.09
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000413066	0	32	-2.0	-102.46	316.04	5.70	-96.76
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000413067	1	38	-2.0	-108.85	338.30	7.47	-101.38
CSC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000413069	0	36	-2.0	-106.53	329.51	6.04	-100.49
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000413071	0	35	-2.0	-98.54	331.97	6.37	-92.17
CSC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000413073	0	32	-2.0	-103.83	314.51	5.71	-98.12
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(SC)=C2C)=CC(C(=O)[O-])=C1OC	REAL300000413074	1	43	-2.0	-108.66	381.17	6.49	-102.17
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C	REAL300000413076	1	45	-2.0	-112.84	378.09	9.31	-103.53
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C	REAL300000413077	1	44	-2.0	-111.02	376.76	8.69	-102.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(SC)=C1C	REAL300000413078	1	41	-2.0	-106.99	352.47	8.40	-98.59
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(SC)=C1C	REAL300000413079	0	42	-2.0	-114.20	373.29	7.25	-106.95
CSC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000413080	0	38	-2.0	-108.41	350.52	7.17	-101.24
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000413080	1	37	-3.0	-184.17	351.27	7.25	-176.92
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C	REAL300000413081	1	42	-2.0	-113.19	367.11	8.58	-104.61
CSC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000413082	0	35	-2.0	-101.90	325.87	5.82	-96.08
CSC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C	REAL300000413083	1	41	-2.0	-113.04	365.02	6.45	-106.59
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C	REAL300000413084	0	39	-2.0	-109.10	351.85	5.77	-103.33
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1C	REAL300000413086	0	35	-2.0	-100.23	340.46	7.26	-92.97
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C	REAL300000413088	1	38	-2.0	-99.45	343.58	7.50	-91.95
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C	REAL300000413089	1	39	-2.0	-93.05	360.17	7.02	-86.03
CSC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000413091	1	35	-2.0	-105.26	332.56	6.57	-98.69
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000413092	0	35	-2.0	-93.02	335.91	7.24	-85.78
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000413093	1	35	-2.0	-95.04	327.37	6.72	-88.32
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000413094	0	32	-2.0	-97.31	315.12	5.81	-91.50
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000413095	1	35	-2.0	-99.05	329.27	6.75	-92.30
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C	REAL300000413096	0	38	-2.0	-106.87	348.60	7.38	-99.49
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000413097	0	35	-2.0	-95.06	328.32	6.75	-88.31
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000413098	1	35	-2.0	-93.11	335.34	7.08	-86.03
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1C	REAL300000413099	1	38	-2.0	-101.15	352.31	7.88	-93.27
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C	REAL300000413100	1	43	-2.0	-91.68	386.60	8.09	-83.59
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000413101	1	35	-2.0	-97.09	333.68	6.77	-90.32
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C	REAL300000413102	0	37	-2.0	-93.19	351.05	7.35	-85.84
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000413103	0	36	-2.0	-107.81	332.58	4.39	-103.42
CSC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C	REAL300000413103	1	36	-2.0	-106.11	326.54	5.23	-100.88
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000413104	1	38	-2.0	-99.99	345.04	7.46	-92.53
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000413105	1	35	-2.0	-98.55	343.57	7.21	-91.34
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000413106	1	38	-2.0	-104.29	332.90	7.32	-96.97
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000413107	1	38	-2.0	-106.97	347.69	7.33	-99.64
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000413109	1	41	-2.0	-111.32	356.32	7.76	-103.56
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300000413110	0	37	-2.0	-106.33	349.41	7.78	-98.55
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C	REAL300000413111	0	35	-2.0	-97.04	334.59	6.81	-90.23
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C	REAL300000413113	0	38	-2.0	-106.59	344.34	7.28	-99.31
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1C	REAL300000413114	0	38	-2.0	-105.42	354.64	7.82	-97.60
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C	REAL300000413115	0	38	-2.0	-113.18	347.87	7.37	-105.81
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC)=C2C)C=C1C(=O)[O-]	REAL300000413116	1	41	-2.0	-110.12	357.18	7.87	-102.25
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1C	REAL300000413118	1	38	-2.0	-97.57	349.13	7.87	-89.70
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000413119	1	38	-2.0	-105.83	354.08	7.64	-98.19
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(SC)=C2C)C=C1C(=O)[O-]	REAL300000413120	0	39	-2.0	-107.81	350.80	6.89	-100.92
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000413122	1	38	-2.0	-101.53	352.73	7.65	-93.88
CSC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1C	REAL300000413123	0	44	-2.0	-104.72	372.31	8.82	-95.90
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000413124	1	38	-2.0	-95.69	338.86	7.23	-88.46
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1C	REAL300000413125	0	40	-2.0	-99.59	366.11	8.87	-90.72
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C	REAL300000413127	0	37	-2.0	-115.29	346.61	8.54	-106.75
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000413128	0	35	-2.0	-112.40	326.49	6.71	-105.69
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000413129	1	38	-2.0	-99.86	344.03	7.25	-92.61
CSC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300000413130	1	41	-2.0	-116.45	363.90	8.80	-107.65
CSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000413131	0	34	-2.0	-105.27	319.85	4.75	-100.52
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(SC)=C1C	REAL300000413132	0	39	-2.0	-99.82	351.06	6.48	-93.34
CSC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C	REAL300000413133	0	32	-2.0	-95.81	322.97	5.66	-90.15
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C	REAL300000413134	1	42	-2.0	-102.09	368.98	8.56	-93.53
CSC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C	REAL300000413135	1	42	-2.0	-105.15	366.95	8.55	-96.60
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(SC)=C2C)C=C(C(=O)[O-])O1	REAL300000413136	0	38	-2.0	-101.71	344.99	6.67	-95.04
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000413137	0	38	-2.0	-103.58	345.66	6.00	-97.58
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000413138	0	38	-2.0	-93.85	341.11	5.98	-87.87
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000413139	0	38	-2.0	-106.12	341.12	5.97	-100.15
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)C	REAL300000413140	0	42	-2.0	-111.22	369.26	5.77	-105.45
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000413141	0	42	-2.0	-93.25	372.57	7.27	-85.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000413142	0	41	-2.0	-107.41	356.96	6.51	-100.90
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000413143	0	38	-2.0	-101.63	354.20	6.56	-95.07
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000413144	0	38	-2.0	-101.99	353.64	6.37	-95.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)=C1C	REAL300000413145	0	44	-2.0	-108.48	374.22	7.30	-101.18
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000413146	0	38	-2.0	-103.36	346.61	6.04	-97.32
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000413147	0	44	-2.0	-92.46	384.68	7.56	-84.90
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000413148	0	35	-2.0	-100.63	334.32	4.99	-95.64
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)C	REAL300000413149	0	41	-2.0	-106.79	356.57	6.75	-100.04
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000413150	0	42	-2.0	-91.96	372.20	6.26	-85.70
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000413151	0	39	-2.0	-104.75	347.76	5.32	-99.43
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)C	REAL300000413152	1	42	-2.0	-106.87	365.31	4.79	-102.08
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)=C1	REAL300000413153	0	38	-2.0	-96.81	350.25	5.65	-91.16
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000413154	0	44	-2.0	-107.86	372.39	7.29	-100.57
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000413155	0	35	-2.0	-101.91	332.78	5.01	-96.90
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000413156	0	42	-2.0	-111.98	368.41	6.04	-105.94
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000413157	0	47	-2.0	-108.79	395.01	7.98	-100.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)C	REAL300000413158	0	44	-2.0	-104.81	371.24	7.69	-97.12
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)C	REAL300000413159	0	45	-2.0	-111.94	391.54	6.53	-105.41
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000413160	0	40	-3.0	-181.72	369.54	6.54	-175.18
CC(C)OC1=CC(F)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000413160	1	41	-2.0	-107.58	369.64	6.49	-101.09
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000413161	0	45	-2.0	-110.86	385.37	7.87	-102.99
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000413162	0	38	-2.0	-100.07	344.14	5.11	-94.96
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)=C1	REAL300000413163	0	42	-2.0	-107.42	370.03	5.05	-102.37
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)=CC=C1OCC(=O)[O-]	REAL300000413164	0	45	-2.0	-92.40	392.27	6.95	-85.45
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)C	REAL300000413165	0	41	-2.0	-97.38	361.84	6.78	-90.60
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000413166	0	45	-2.0	-112.62	390.25	6.95	-105.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)C=C(C(=O)[O-])S1	REAL300000413167	0	38	-2.0	-103.36	349.76	5.86	-97.50
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000413168	0	38	-2.0	-91.33	354.18	6.54	-84.79
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000413169	0	38	-2.0	-93.37	345.63	6.01	-87.36
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000413170	0	35	-2.0	-95.51	333.39	5.09	-90.42
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000413171	0	38	-2.0	-97.09	347.53	6.03	-91.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)=C1F	REAL300000413172	0	41	-2.0	-104.87	366.88	6.67	-98.20
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000413173	0	38	-2.0	-93.28	346.59	6.04	-87.24
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000413174	0	38	-2.0	-91.42	353.62	6.37	-85.05
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000413175	0	38	-2.0	-95.23	351.96	6.07	-89.16
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000413176	0	40	-2.0	-91.41	369.30	6.64	-84.77
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000413177	0	39	-2.0	-105.26	350.85	3.68	-101.58
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000413178	0	41	-2.0	-97.25	363.28	6.76	-90.49
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)C	REAL300000413179	0	41	-2.0	-102.68	351.14	6.60	-96.08
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)=CC(C(=O)[O-])=C1F	REAL300000413180	0	41	-2.0	-104.99	365.94	6.62	-98.37
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)C	REAL300000413181	0	41	-2.0	-93.86	356.54	6.75	-87.11
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)=CC(C(=O)[O-])=C1C	REAL300000413182	0	44	-2.0	-109.39	374.15	7.06	-102.33
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000413183	0	40	-2.0	-104.60	368.26	7.10	-97.50
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000413184	0	38	-2.0	-95.06	352.85	6.10	-88.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)C(C)=C1C(=O)[O-]	REAL300000413185	0	44	-2.0	-106.83	376.32	7.40	-99.43
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000413186	0	41	-2.0	-104.51	362.21	6.56	-97.95
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)=C1	REAL300000413187	0	41	-2.0	-111.48	366.17	6.65	-104.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000413188	0	44	-2.0	-108.24	375.86	7.19	-101.05
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)C=C1CC(=O)[O-]	REAL300000413189	0	45	-2.0	-108.75	391.58	6.10	-102.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000413190	0	42	-2.0	-106.01	369.15	6.19	-99.82
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000413191	0	41	-2.0	-95.58	361.38	6.64	-88.94
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)C	REAL300000413192	0	41	-2.0	-104.21	361.08	6.79	-97.42
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000413193	0	40	-2.0	-113.46	364.85	7.82	-105.64
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000413194	0	38	-2.0	-110.68	344.77	6.00	-104.68
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000413195	0	41	-2.0	-98.16	362.80	6.58	-91.58
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000413196	0	37	-2.0	-103.96	337.34	4.09	-99.87
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OC(C)C	REAL300000413197	0	42	-2.0	-97.98	369.33	5.77	-92.21
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000413198	0	35	-2.0	-93.99	341.21	4.94	-89.05
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000413199	0	45	-2.0	-100.13	387.26	7.85	-92.28
CC(C)OC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000413200	0	45	-2.0	-103.35	385.22	7.83	-95.52
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000413201	0	41	-2.0	-99.80	363.26	5.96	-93.84
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1C1=CC=CC=C1Cl	REAL300000413202	0	38	-2.0	-111.67	364.19	8.31	-103.36
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1Cl	REAL300000413203	0	38	-2.0	-126.05	364.21	8.30	-117.75
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1C1=CC=CC=C1Cl	REAL300000413204	0	35	-2.0	-118.65	357.51	7.33	-111.32
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1C1=CC=CC=C1Cl	REAL300000413205	0	39	-2.0	-123.93	370.85	7.66	-116.27
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1Cl	REAL300000413206	0	35	-2.0	-121.10	355.86	7.34	-113.76
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1Cl	REAL300000413207	0	38	-2.0	-119.00	367.19	7.45	-111.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1C1=CC=CC=C1Cl	REAL300000413208	0	35	-2.0	-113.36	356.44	7.44	-105.92
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1C1=CC=CC=C1Cl	REAL300000413209	0	37	-2.0	-122.76	361.32	6.36	-116.40
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000413210	0	30	-2.0	-95.98	306.82	4.49	-91.49
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000413211	0	30	-2.0	-86.51	302.27	4.48	-82.03
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000413212	0	30	-2.0	-98.01	302.29	4.46	-93.55
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000413213	0	34	-2.0	-86.53	333.74	5.76	-80.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2C)C=C1C(=O)[O-]	REAL300000413214	0	33	-2.0	-98.93	318.31	4.99	-93.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2C)=C1C	REAL300000413215	0	36	-2.0	-101.05	334.69	5.78	-95.27
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000413216	0	30	-2.0	-95.16	307.76	4.53	-90.63
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000413217	0	36	-2.0	-85.52	345.86	6.05	-79.47
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000413218	0	27	-2.0	-92.62	295.48	3.49	-89.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Br)N=C1C	REAL300000413219	0	33	-2.0	-99.32	317.73	5.25	-94.07
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000413220	0	31	-2.0	-96.49	308.94	3.81	-92.68
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2C)=C1	REAL300000413221	0	30	-2.0	-88.89	311.40	4.14	-84.75
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2C)C=C1C(=O)[O-]	REAL300000413222	1	36	-2.0	-100.32	333.74	5.79	-94.53
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000413223	0	27	-2.0	-94.00	293.94	3.50	-90.50
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Br)N=C1C	REAL300000413224	0	36	-2.0	-97.91	331.91	6.18	-91.73
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2C)C=C(C(=O)[O-])O1	REAL300000413225	0	30	-2.0	-92.74	305.30	3.60	-89.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2C)C=C(C(=O)[O-])S1	REAL300000413226	0	30	-2.0	-95.87	311.99	4.35	-91.52
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000413227	0	30	-2.0	-86.27	306.83	4.50	-81.77
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000413228	0	27	-2.0	-87.77	294.55	3.59	-84.18
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000413229	0	30	-2.0	-89.36	308.69	4.52	-84.84
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000413230	0	30	-2.0	-85.63	307.74	4.54	-81.09
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000413231	0	31	-2.0	-98.32	312.01	2.17	-96.15
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000413232	0	33	-2.0	-89.68	324.46	5.24	-84.44
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000413233	0	33	-2.0	-94.20	312.33	5.10	-89.10
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Br)N=C1C	REAL300000413234	1	33	-2.0	-86.95	317.71	5.24	-81.71
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2C)=CC(C(=O)[O-])=C1C	REAL300000413235	0	36	-2.0	-102.03	339.79	5.66	-96.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2C)C(C)=C1C(=O)[O-]	REAL300000413236	1	36	-2.0	-98.66	335.82	5.88	-92.78
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2C)C=C1C(=O)[O-]	REAL300000413237	0	36	-2.0	-99.58	336.61	5.65	-93.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2C)C=C1C(=O)[O-]	REAL300000413238	0	34	-2.0	-97.72	330.31	4.68	-93.04
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Br)N=C2C)=CC=C1C(=O)[O-]	REAL300000413239	0	33	-2.0	-86.44	318.30	5.00	-81.44
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000413240	0	30	-2.0	-101.66	305.93	4.48	-97.18
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000413241	0	29	-2.0	-95.07	299.28	2.53	-92.54
CC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000413242	0	27	-2.0	-86.59	302.40	3.43	-83.16
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Br)N=C2C)C=C(C(=O)[O-])O1	REAL300000413243	0	33	-2.0	-92.65	324.41	4.46	-88.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)=CC=C1F	REAL300000413244	0	35	-2.0	-109.33	340.73	5.69	-103.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)C=C1	REAL300000413245	0	35	-2.0	-99.60	336.18	5.68	-93.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)=C1	REAL300000413246	0	35	-2.0	-111.87	336.20	5.66	-106.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000413247	0	38	-2.0	-113.11	352.23	6.20	-106.91
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)=C1	REAL300000413248	0	35	-2.0	-108.56	341.68	5.73	-102.83
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)=C1	REAL300000413249	0	32	-2.0	-106.30	329.39	4.68	-101.62
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC(F)F	REAL300000413250	0	38	-2.0	-111.78	351.64	6.45	-105.33
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000413251	0	36	-2.0	-110.40	342.85	5.01	-105.39
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)=C1	REAL300000413252	0	35	-2.0	-102.60	345.31	5.34	-97.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)=CS1	REAL300000413253	0	32	-2.0	-107.61	327.85	4.69	-102.92
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)C=C(C(=O)[O-])O1	REAL300000413254	0	35	-2.0	-105.46	339.21	4.80	-100.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)C=C(C(=O)[O-])S1	REAL300000413255	0	35	-2.0	-108.41	344.83	5.56	-102.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)C=C1F	REAL300000413256	0	35	-2.0	-99.13	340.72	5.70	-93.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)S1	REAL300000413257	0	32	-2.0	-101.35	328.46	4.78	-96.57
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)=C1	REAL300000413258	0	35	-2.0	-102.89	342.62	5.73	-97.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)C(F)=C1	REAL300000413259	0	35	-2.0	-99.13	341.66	5.73	-93.40
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)=C1	REAL300000413260	0	36	-2.0	-110.26	345.91	3.37	-106.89
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)C=C1	REAL300000413261	0	38	-2.0	-102.52	358.37	6.44	-96.08
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC(F)F	REAL300000413262	0	38	-2.0	-108.78	346.24	6.31	-102.47
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1OCC(F)F	REAL300000413263	0	38	-2.0	-99.52	351.61	6.44	-93.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000413264	0	39	-2.0	-111.69	364.23	5.87	-105.82
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)=CC=C1C(=O)[O-]	REAL300000413265	0	38	-2.0	-101.29	356.25	6.31	-94.98
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)=C1F	REAL300000413266	0	35	-2.0	-116.84	339.87	5.69	-111.15
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)=C1	REAL300000413267	0	34	-2.0	-109.75	332.41	3.77	-105.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)=C(Cl)O1	REAL300000413268	0	32	-2.0	-99.70	336.30	4.62	-95.08
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OCC(F)F)C=C(C(=O)[O-])O1	REAL300000413269	0	38	-2.0	-105.02	358.32	5.66	-99.36
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)C1=O	REAL300000413270	1	38	-2.0	-118.31	353.34	7.29	-111.02
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2)C1=O	REAL300000413271	1	38	-2.0	-108.10	348.79	7.27	-100.83
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)C1=O	REAL300000413272	1	38	-2.0	-120.98	348.81	7.26	-113.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=CN(C)C3=O)C=C2)C=C1C(=O)[O-]	REAL300000413273	1	41	-2.0	-122.06	364.83	7.79	-114.27
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)C1=O	REAL300000413274	0	38	-2.0	-118.69	354.29	7.32	-111.37
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)C1=O	REAL300000413275	0	35	-2.0	-114.98	341.99	6.27	-108.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=CN(C)C2=O)C=C1	REAL300000413276	1	41	-2.0	-122.71	364.24	8.04	-114.67
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)C1=O	REAL300000413277	0	39	-2.0	-119.23	355.46	6.61	-112.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3N=CN(C)C3=O)C=C2)=C1	REAL300000413278	0	38	-2.0	-111.03	357.93	6.93	-104.10
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)C1=O	REAL300000413279	0	35	-2.0	-116.54	340.46	6.29	-110.25
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=CN(C)C3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000413280	0	38	-2.0	-114.99	351.85	6.39	-108.60
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=CN(C)C3=O)C=C2)C=C(C(=O)[O-])S1	REAL300000413281	0	38	-2.0	-118.88	357.41	7.15	-111.73
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)C1=O	REAL300000413282	1	38	-2.0	-107.46	353.32	7.30	-100.16
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)C1=O	REAL300000413283	0	35	-2.0	-109.83	341.07	6.39	-103.44
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)C1=O	REAL300000413284	1	38	-2.0	-111.59	355.21	7.32	-104.27
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)C1=O	REAL300000413285	0	38	-2.0	-107.38	354.27	7.33	-100.05
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)C1=O	REAL300000413286	0	39	-2.0	-121.84	358.52	4.97	-116.87
CN1C=NN(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)C1=O	REAL300000413286	1	39	-2.0	-119.96	357.72	5.77	-114.19
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)C1=O	REAL300000413287	1	41	-2.0	-112.21	370.98	8.04	-104.17
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=CN(C)C2=O)C=C1	REAL300000413288	1	41	-2.0	-117.66	362.63	8.00	-109.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=CN(C)C3=O)C=C2)C=C1C(=O)[O-]	REAL300000413290	0	42	-2.0	-120.57	376.83	7.48	-113.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=CN(C)C3=O)C=C2)=CC=C1C(=O)[O-]	REAL300000413291	1	41	-2.0	-108.24	364.82	7.80	-100.44
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)C1=O	REAL300000413292	0	38	-2.0	-124.42	352.43	7.28	-117.14
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)C1=O	REAL300000413293	0	37	-2.0	-118.48	345.02	5.38	-113.10
CN1C=NN(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)C1=O	REAL300000413294	0	35	-2.0	-108.59	348.96	6.24	-102.35
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=CN(C)C3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000413295	0	41	-2.0	-115.04	370.94	7.25	-107.79
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)C=C1	REAL300000413296	1	36	-2.0	-85.91	349.22	1.28	-84.63
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(Cl)=C1	REAL300000413298	0	37	-2.0	-100.55	352.37	3.79	-96.76
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C([O-])C(Cl)=C1	REAL300000413298	1	36	-3.0	-176.72	348.80	4.55	-172.17
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(Cl)=C1	REAL300000413301	0	33	-2.0	-106.80	320.89	2.49	-104.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C([O-])C(Cl)=C1	REAL300000413301	1	32	-3.0	-184.18	317.33	3.25	-180.93
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1	REAL300000413304	0	29	-2.0	-100.15	305.82	3.27	-96.88
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C1	REAL300000413304	1	28	-3.0	-175.32	302.26	4.03	-171.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C(Cl)C=C1Cl	REAL300000413306	0	29	-2.0	-95.75	318.32	3.64	-92.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C(Cl)C=C1Cl	REAL300000413306	1	28	-3.0	-170.27	314.76	4.41	-165.86
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1	REAL300000413308	0	29	-2.0	-101.64	298.23	2.76	-98.88
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C1	REAL300000413308	1	28	-3.0	-176.97	294.66	3.52	-173.45
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1	REAL300000413310	0	26	-2.0	-98.39	285.93	1.71	-96.68
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C1	REAL300000413310	1	25	-3.0	-171.84	282.37	2.47	-169.37
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000413313	1	30	-2.0	-102.58	299.40	2.04	-100.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1	REAL300000413315	0	29	-2.0	-92.28	301.87	2.37	-89.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C1	REAL300000413315	1	28	-3.0	-165.86	298.30	3.13	-162.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=CS1	REAL300000413317	1	26	-2.0	-100.16	284.40	1.73	-98.43
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(Cl)=C1	REAL300000413323	0	36	-2.0	-107.43	343.18	3.26	-104.17
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C([O-])C(Cl)=C1	REAL300000413323	1	35	-3.0	-186.83	339.61	4.01	-182.82
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(O)C(Cl)=C2)=C1	REAL300000413324	0	32	-2.0	-108.50	327.88	3.11	-105.39
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000413326	0	29	-2.0	-98.92	295.76	1.83	-97.09
CC1=C(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000413326	1	28	-3.0	-170.41	292.20	2.59	-167.82
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1	REAL300000413328	0	33	-2.0	-102.38	321.73	1.78	-100.60
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C1	REAL300000413328	1	32	-3.0	-179.97	318.17	2.54	-177.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C(Cl)C=C1F	REAL300000413331	0	29	-2.0	-97.02	310.34	3.28	-93.74
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000413338	1	29	-2.0	-102.03	301.35	2.59	-99.44
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1	REAL300000413339	0	29	-2.0	-91.33	320.97	3.71	-87.62
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C1	REAL300000413339	1	28	-3.0	-168.39	317.41	4.47	-163.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)C(Cl)=C1	REAL300000413340	0	29	-2.0	-87.30	305.80	3.26	-84.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)S1	REAL300000413342	0	26	-2.0	-93.65	285.02	1.83	-91.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)S1	REAL300000413342	1	25	-3.0	-165.56	281.46	2.59	-162.97
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1	REAL300000413343	1	29	-2.0	-92.97	299.15	2.76	-90.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1F	REAL300000413344	0	32	-2.0	-100.00	318.52	3.39	-96.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C1F	REAL300000413344	1	31	-3.0	-176.77	314.95	4.15	-172.62
COC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000413345	0	33	-2.0	-94.13	333.06	3.31	-90.82
COC1=CC(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000413345	1	32	-3.0	-166.11	329.50	4.07	-162.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)C(F)=C1	REAL300000413346	0	29	-2.0	-88.90	298.21	2.77	-86.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)C(F)=C1	REAL300000413346	1	28	-3.0	-163.61	294.65	3.53	-160.08
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1	REAL300000413351	1	31	-2.0	-89.09	320.94	3.36	-85.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=CC=C1[N+](=O)[O-]	REAL300000413359	0	30	-3.0	-174.88	315.74	4.54	-170.34
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1	REAL300000413360	0	29	-2.0	-90.63	304.51	2.82	-87.81
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C1	REAL300000413360	1	28	-3.0	-167.45	300.94	3.58	-163.87
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000413362	0	32	-2.0	-102.42	314.23	3.30	-99.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000413362	1	31	-3.0	-177.67	314.50	4.14	-173.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1Cl	REAL300000413363	0	32	-2.0	-98.99	324.49	3.82	-95.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C1Cl	REAL300000413363	1	31	-3.0	-175.57	320.93	4.58	-170.99
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1	REAL300000413364	0	32	-2.0	-106.01	317.78	3.39	-102.62
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C1	REAL300000413364	1	31	-3.0	-184.08	314.22	4.14	-179.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000413370	1	33	-2.0	-103.77	320.78	2.92	-100.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C(F)C(Cl)=C1F	REAL300000413372	0	29	-2.0	-89.61	318.33	3.25	-86.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C(F)C(Cl)=C1F	REAL300000413372	1	28	-3.0	-163.85	314.77	4.00	-159.85
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000413374	1	38	-2.0	-101.53	342.21	4.83	-96.70
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000413375	1	33	-2.0	-105.45	333.07	3.33	-102.12
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)C([N+](=O)[O-])=C1	REAL300000413377	0	33	-3.0	-173.25	332.45	5.64	-167.61
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)C([N+](=O)[O-])=C1	REAL300000413377	1	34	-2.0	-94.60	336.01	4.89	-89.71
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C1[N+](=O)[O-]	REAL300000413379	0	30	-3.0	-187.67	312.91	5.30	-182.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1[N+](=O)[O-]	REAL300000413379	1	31	-2.0	-110.88	316.47	4.54	-106.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1F	REAL300000413380	0	29	-2.0	-107.92	296.37	2.72	-105.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C1F	REAL300000413380	1	28	-3.0	-183.29	292.84	3.48	-179.81
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C1	REAL300000413383	0	28	-2.0	-98.50	289.73	0.75	-97.75
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C1	REAL300000413383	1	27	-3.0	-174.18	286.17	1.51	-172.67
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(Cl)=C1	REAL300000413384	0	33	-2.0	-93.71	320.95	2.49	-91.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C([O-])C(Cl)=C1	REAL300000413384	1	32	-3.0	-168.08	317.39	3.25	-164.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)=C(Cl)O1	REAL300000413385	0	26	-2.0	-89.95	292.90	1.67	-88.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)=C(Cl)O1	REAL300000413385	1	25	-3.0	-163.91	289.33	2.45	-161.46
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000413388	0	32	-2.0	-98.91	314.88	2.68	-96.23
CCC1=C(S(=O)(=O)[N-]C2=CC=C([O-])C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000413388	1	31	-3.0	-170.66	311.32	3.44	-167.22
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000413389	0	41	-2.0	-94.37	368.49	3.47	-90.90
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000413390	0	34	-2.0	-112.27	315.08	4.83	-107.44
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)=O)=CC=C1O	REAL300000413391	0	42	-2.0	-101.54	369.43	5.75	-95.79
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000413392	0	34	-2.0	-91.45	309.80	4.80	-86.65
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000413393	0	34	-2.0	-112.70	310.54	4.81	-107.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)=O)=CC=C1O	REAL300000413394	0	38	-2.0	-107.71	337.96	4.46	-103.25
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000413395	0	38	-2.0	-100.54	343.48	6.18	-94.36
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000413396	0	37	-2.0	-105.15	325.90	5.32	-99.83
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000413397	0	34	-2.0	-107.44	323.61	5.34	-102.10
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000413398	0	34	-2.0	-110.68	323.06	5.19	-105.49
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000413399	0	40	-2.0	-114.49	343.20	6.13	-108.36
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000413400	0	34	-2.0	-109.78	317.50	4.94	-104.84
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000413401	0	40	-2.0	-99.27	354.12	6.39	-92.88
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000413402	0	31	-2.0	-96.96	303.01	3.84	-93.12
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000413403	0	37	-2.0	-103.29	325.24	5.52	-97.77
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000413404	0	38	-2.0	-99.08	341.60	5.08	-94.00
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000413405	0	35	-2.0	-100.80	316.46	4.18	-96.62
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000413406	0	38	-2.0	-112.86	335.81	3.69	-109.17
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000413407	0	34	-2.0	-94.53	318.93	4.49	-90.04
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000413408	0	40	-2.0	-113.58	343.49	6.15	-107.43
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000413409	0	31	-2.0	-110.37	302.20	3.85	-106.52
COC1=CC(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2O)=CC(C(=O)[O-])=C1OC	REAL300000413410	0	42	-2.0	-102.63	368.15	4.60	-98.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2O)C=C1C(=O)[O-]	REAL300000413411	0	38	-2.0	-120.89	339.33	4.95	-115.94
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000413412	0	44	-2.0	-107.15	365.05	7.39	-99.76
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000413413	0	43	-2.0	-114.25	364.44	6.79	-107.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)=O)=CC=C1O	REAL300000413414	0	40	-2.0	-110.16	342.16	6.56	-103.60
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)=O)=CC=C1O	REAL300000413415	0	41	-2.0	-116.65	360.97	5.25	-111.40
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000413416	0	36	-3.0	-177.37	338.22	5.35	-172.02
CC(=O)C1=CC=C(O)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000413416	1	37	-2.0	-115.81	346.05	3.13	-112.68
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000413417	0	41	-2.0	-116.93	356.28	6.78	-110.15
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000413418	0	34	-2.0	-106.69	315.04	4.02	-102.67
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000413419	0	40	-2.0	-108.98	351.99	4.56	-104.42
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000413420	0	38	-2.0	-104.33	338.73	3.76	-100.57
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000413421	0	42	-2.0	-100.26	364.97	5.47	-94.79
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000413422	0	34	-2.0	-104.38	329.62	5.45	-98.93
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000413423	0	38	-2.0	-97.83	359.14	5.70	-92.13
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000413424	0	41	-2.0	-99.52	361.70	5.79	-93.73
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000413425	0	37	-2.0	-94.44	330.52	5.55	-88.89
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000413426	0	38	-2.0	-89.75	347.12	5.13	-84.62
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2O)C=C1C(=O)[O-]	REAL300000413427	0	41	-2.0	-121.57	361.19	5.86	-115.71
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000413428	0	34	-2.0	-100.04	319.51	4.67	-95.37
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000413429	0	34	-2.0	-99.08	325.09	5.41	-93.67
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000413430	0	34	-2.0	-91.36	314.34	4.82	-86.54
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000413431	0	31	-2.0	-103.58	302.80	3.96	-99.62
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000413432	0	34	-2.0	-95.22	316.23	4.85	-90.37
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000413433	0	37	-2.0	-111.41	337.79	5.58	-105.83
COC1=CC(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000413434	0	38	-2.0	-93.92	350.12	5.38	-88.54
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000413435	0	34	-2.0	-101.59	316.00	4.87	-96.72
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000413436	0	34	-2.0	-99.18	323.03	5.20	-93.98
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000413437	0	37	-2.0	-105.04	341.48	6.04	-99.00
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000413438	0	42	-2.0	-96.89	375.76	6.30	-90.59
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000413439	0	34	-2.0	-91.97	320.64	4.87	-87.10
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000413440	0	36	-2.0	-99.60	338.74	5.47	-94.13
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000413441	0	35	-2.0	-102.64	319.53	2.38	-100.26
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000413442	0	37	-2.0	-104.17	334.22	5.66	-98.51
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000413443	0	34	-2.0	-103.70	332.75	5.41	-98.29
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000413444	0	37	-2.0	-99.54	319.88	5.38	-94.16
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000413445	0	37	-2.0	-113.91	335.38	5.45	-108.46
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000413446	0	37	-2.0	-91.70	325.22	5.51	-86.19
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000413447	0	40	-2.0	-104.90	343.27	5.86	-99.04
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000413448	0	36	-2.0	-103.27	336.37	5.87	-97.40
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000413449	0	34	-2.0	-102.12	323.79	5.00	-97.12
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000413450	0	40	-2.0	-104.16	343.33	6.17	-97.99
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000413451	0	37	-2.0	-102.36	335.01	5.48	-96.88
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000413452	0	37	-2.0	-109.41	343.79	5.99	-103.42
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000413453	0	37	-2.0	-121.30	337.07	5.56	-115.74
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2O)C=C1C(=O)[O-]	REAL300000413454	0	40	-2.0	-116.82	344.86	5.99	-110.83
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2O)C=C1CC(=O)[O-]	REAL300000413455	0	41	-2.0	-115.16	362.51	5.01	-110.15
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000413456	0	37	-2.0	-104.67	338.29	6.05	-98.62
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000413457	0	37	-2.0	-112.60	341.77	5.76	-106.84
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2O)C=C1C(=O)[O-]	REAL300000413458	0	38	-2.0	-114.66	339.98	5.12	-109.54
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000413459	0	46	-2.0	-116.10	375.69	7.56	-108.54
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000413460	0	37	-2.0	-107.62	344.31	5.87	-101.75
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000413461	0	43	-2.0	-108.13	359.98	6.84	-101.29
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2O)C=C1C(=O)[O-]	REAL300000413462	0	38	-2.0	-113.08	352.35	5.49	-107.59
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000413463	0	37	-2.0	-101.72	328.04	5.42	-96.30
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000413464	0	39	-2.0	-96.09	353.17	6.78	-89.31
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000413465	0	37	-2.0	-110.10	331.57	5.69	-104.41
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000413466	0	36	-2.0	-123.47	335.76	6.59	-116.88
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000413467	0	34	-2.0	-107.67	313.44	4.80	-102.87
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000413468	0	37	-2.0	-95.49	334.97	5.45	-90.04
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000413469	0	40	-2.0	-112.44	350.86	6.91	-105.53
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000413470	0	33	-2.0	-109.57	307.51	2.89	-106.68
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(C)=O)=CC=C1O	REAL300000413471	0	38	-2.0	-105.75	338.74	4.48	-101.27
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000413472	0	31	-2.0	-101.05	310.64	3.79	-97.26
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000413473	0	41	-2.0	-106.77	356.66	6.68	-100.09
CC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000413474	0	41	-2.0	-112.28	354.62	6.66	-105.62
CCC1=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000413475	0	37	-2.0	-106.07	332.66	4.79	-101.28
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000413481	0	40	-2.0	-95.03	367.30	7.82	-87.21
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000413488	0	40	-2.0	-102.48	366.83	8.70	-93.78
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000413495	0	40	-2.0	-95.45	361.70	8.54	-86.91
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000413501	0	40	-2.0	-104.11	361.53	8.46	-95.65
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC(CCC(=O)[O-])=C1	REAL300000413522	0	44	-2.0	-129.87	385.26	8.33	-121.54
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000413523	0	44	-2.0	-97.98	393.17	9.83	-88.15
CC1=CC=C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000413528	0	43	-2.0	-102.04	378.88	9.23	-92.81
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000413539	0	40	-2.0	-101.31	367.12	8.81	-92.50
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000413540	0	40	-2.0	-99.43	374.81	9.06	-90.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)=C1C	REAL300000413556	0	46	-2.0	-104.94	377.68	9.41	-95.53
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000413559	0	40	-2.0	-101.43	365.15	8.60	-92.83
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000413564	0	46	-2.0	-95.72	405.20	10.12	-85.60
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000413571	0	37	-2.0	-96.76	346.83	7.49	-89.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC(CCC(=O)[O-])=C1	REAL300000413574	0	43	-2.0	-103.88	370.75	9.35	-94.53
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000413587	0	44	-2.0	-95.82	392.64	8.81	-87.01
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000413611	0	41	-2.0	-102.36	368.11	7.82	-94.54
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC(CCC(=O)[O-])=C1	REAL300000413614	0	44	-2.0	-105.13	379.34	7.40	-97.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300000413631	0	40	-2.0	-95.03	370.25	8.15	-86.88
CC1=CC(C)=C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000413634	0	46	-2.0	-103.65	376.03	9.39	-94.26
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000413649	0	37	-2.0	-99.97	352.64	7.48	-92.49
COC1=CC=C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000413651	0	44	-2.0	-106.89	389.59	8.73	-98.16
CC1=CC=C([O-])C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300000413660	1	41	-2.0	-102.49	356.32	7.20	-95.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC(CCC(=O)[O-])=C1	REAL300000413662	0	46	-2.0	-104.00	384.51	10.09	-93.91
CC1=C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000413668	0	40	-2.0	-102.49	360.42	7.62	-94.87
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300000413676	0	44	-2.0	-109.72	383.79	7.95	-101.77
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC(CCC(=O)[O-])=C1	REAL300000413693	0	43	-2.0	-97.27	376.12	9.39	-87.88
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300000413710	1	43	-2.0	-96.99	391.20	5.23	-91.76
CC1=C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000413724	0	40	-2.0	-102.19	361.00	8.43	-93.76
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000413765	0	40	-2.0	-97.18	367.09	8.79	-88.39
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000413766	0	40	-2.0	-103.95	366.82	8.71	-95.24
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000413769	0	37	-2.0	-95.97	345.85	7.58	-88.39
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000413771	0	40	-2.0	-96.94	367.96	8.52	-88.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)=C1F	REAL300000413772	0	43	-2.0	-122.03	383.39	9.05	-112.98
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000413774	0	40	-2.0	-97.55	365.12	8.61	-88.94
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000413775	0	40	-2.0	-100.33	374.79	9.07	-91.26
CC(=O)NC1=CC(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)=CC=C1[O-]	REAL300000413783	1	45	-2.0	-100.21	395.52	5.06	-95.15
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000413791	0	40	-2.0	-94.97	372.39	8.56	-86.41
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000413796	0	40	-3.0	-171.81	365.03	7.24	-164.57
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000413796	1	41	-2.0	-101.11	359.42	6.15	-94.96
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000413798	0	43	-2.0	-96.61	383.80	9.32	-87.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)C1=CC=CC(CCC(=O)[O-])=C1	REAL300000413819	0	43	-2.0	-97.68	356.58	8.75	-88.93
CC1=CC(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000413821	0	43	-2.0	-105.29	386.39	9.12	-96.17
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C1=CC=CC(CCC(=O)[O-])=C1	REAL300000413822	0	43	-2.0	-96.37	370.70	9.33	-87.04
CC1=CC(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000413827	0	46	-2.0	-103.08	394.93	9.77	-93.31
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000413831	0	40	-2.0	-95.37	371.43	8.66	-86.71
CC1=CC=C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000413837	0	46	-2.0	-103.05	377.87	9.46	-93.59
CC1=CC(F)=C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000413838	0	43	-2.0	-123.70	382.84	9.06	-114.64
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300000413839	0	43	-2.0	-109.61	382.73	9.04	-100.57
CCC1=CC=C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000413843	0	46	-2.0	-102.22	395.79	9.89	-92.33
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC(CCC(=O)[O-])=C1	REAL300000413848	0	43	-2.0	-92.48	375.63	8.48	-84.00
COC1=CC=C([O-])C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300000413857	1	42	-2.0	-103.01	366.13	5.94	-97.07
CCN1C=C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000413878	0	44	-2.0	-103.18	389.46	8.68	-94.50
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300000413942	1	40	-2.0	-90.69	374.52	4.23	-86.46
CC1=CC(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000413977	0	43	-2.0	-102.49	378.83	9.24	-93.25
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC(CCC(=O)[O-])=C1	REAL300000414012	0	43	-2.0	-104.52	375.10	9.39	-95.13
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=NC=C[N-]1	REAL300000414017	0	34	-2.0	-91.84	313.87	4.08	-87.76
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000414043	0	40	-2.0	-109.18	361.35	8.38	-100.80
CC1=C(F)C=C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000414061	0	43	-2.0	-94.64	386.50	9.14	-85.50
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000414115	0	39	-2.0	-98.99	361.23	6.65	-92.34
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000414128	0	38	-2.0	-97.22	343.06	6.70	-90.52
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C1=CC=CC(CCC(=O)[O-])=C1	REAL300000414145	0	44	-2.0	-115.70	385.29	8.36	-107.34
CN(C1=CC=CC(CCC(=O)[O-])=C1)S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000414150	0	37	-2.0	-93.00	350.17	7.29	-85.71
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300000414256	1	43	-2.0	-90.67	392.64	5.67	-85.00
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)=N[N-]1	REAL300000414256	1	43	-2.0	-90.68	392.75	5.68	-85.00
CCC1=C(S(=O)(=O)N(C)C2=CC=CC(CCC(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000414311	0	43	-2.0	-98.08	379.30	8.42	-89.66
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000414319	1	40	-2.0	-118.33	359.35	6.15	-112.18
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C2N1	REAL300000414320	1	44	-2.0	-105.13	390.82	7.45	-97.68
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2N1	REAL300000414322	0	40	-2.0	-114.28	364.83	6.22	-108.06
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2N1	REAL300000414323	0	37	-2.0	-112.68	352.54	5.17	-107.51
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C2N1	REAL300000414324	1	43	-2.0	-117.32	374.79	6.93	-110.39
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000414325	1	41	-2.0	-116.89	366.00	5.49	-111.40
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC=C2N1	REAL300000414326	0	40	-2.0	-109.02	368.47	5.84	-103.18
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2N1	REAL300000414327	0	37	-2.0	-114.12	351.00	5.19	-108.93
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000414328	0	40	-2.0	-111.10	362.36	5.30	-105.80
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C2N1	REAL300000414329	1	40	-2.0	-113.93	369.05	6.04	-107.89
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2N1	REAL300000414330	1	40	-2.0	-105.68	363.88	6.19	-99.49
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2N1	REAL300000414331	0	37	-2.0	-107.80	351.62	5.28	-102.52
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000414332	1	40	-2.0	-109.25	365.76	6.22	-103.03
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2N1	REAL300000414333	0	40	-2.0	-105.73	364.81	6.23	-99.50
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2N1	REAL300000414334	0	41	-2.0	-115.49	369.06	3.87	-111.62
CCC1=CC(=O)C2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2N1	REAL300000414334	1	41	-2.0	-114.03	358.09	4.75	-109.28
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2N1	REAL300000414335	1	43	-2.0	-108.13	381.52	6.93	-101.20
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C2N1	REAL300000414336	1	43	-2.0	-116.15	368.90	6.83	-109.32
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CN(CC)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000414338	1	44	-2.0	-118.22	387.37	6.37	-111.85
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2N1	REAL300000414340	0	40	-2.0	-124.55	363.01	6.19	-118.36
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2N1	REAL300000414341	0	39	-2.0	-113.38	356.34	4.20	-109.18
CCC1=CC(=O)C2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000414342	0	37	-2.0	-105.64	359.50	5.13	-100.51
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(CC)=CC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000414343	0	43	-2.0	-110.54	381.48	6.15	-104.39
CN(C1=CC=C(F)C(Cl)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000414369	0	34	-2.0	-107.16	341.29	7.66	-99.50
CN(C1=CC=C(F)C(Cl)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000414391	0	32	-2.0	-105.64	312.71	5.77	-99.87
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000414423	0	37	-2.0	-104.74	354.03	6.78	-97.96
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000414424	0	37	-2.0	-96.29	349.49	6.76	-89.53
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000414425	0	37	-2.0	-109.89	349.50	6.75	-103.14
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000414426	0	41	-2.0	-113.66	377.64	6.55	-107.11
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000414427	0	41	-2.0	-95.30	380.96	8.04	-87.26
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000414428	0	40	-2.0	-111.09	365.52	7.28	-103.81
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000414429	0	43	-2.0	-108.41	382.17	8.10	-100.31
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000414430	0	37	-2.0	-105.48	354.98	6.81	-98.67
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000414431	0	43	-2.0	-95.00	393.08	8.34	-86.66
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000414432	0	34	-2.0	-103.87	342.69	5.77	-98.10
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000414433	0	40	-2.0	-109.14	364.94	7.52	-101.62
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000414434	0	41	-2.0	-94.22	380.58	7.03	-87.19
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000414435	0	38	-2.0	-105.80	356.15	6.09	-99.71
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000414436	0	41	-2.0	-106.95	373.28	5.59	-101.36
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000414437	0	37	-2.0	-99.73	358.61	6.43	-93.30
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000414438	0	43	-2.0	-107.45	380.96	8.07	-99.38
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000414439	0	34	-2.0	-105.41	341.15	5.79	-99.62
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000414440	0	41	-2.0	-112.80	376.79	6.81	-105.99
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000414441	0	43	-2.0	-103.90	378.97	8.45	-95.45
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000414442	0	37	-2.0	-102.53	352.51	5.89	-96.64
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000414443	0	41	-2.0	-112.86	378.42	5.85	-107.01
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000414444	0	40	-2.0	-97.82	370.21	7.56	-90.26
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000414445	0	37	-2.0	-103.21	359.20	6.63	-96.58
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000414446	0	37	-2.0	-96.20	354.01	6.79	-89.41
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000414447	0	34	-2.0	-97.45	341.75	5.88	-91.57
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000414448	0	37	-2.0	-100.61	355.92	6.81	-93.80
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000414449	0	40	-2.0	-107.01	375.25	7.44	-99.57
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000414450	0	37	-2.0	-95.64	354.96	6.82	-88.82
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000414451	0	38	-2.0	-107.04	359.21	4.46	-102.58
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000414452	0	40	-2.0	-101.33	371.68	7.53	-93.80
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000414453	0	40	-2.0	-104.46	359.54	7.38	-97.08
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000414454	0	40	-2.0	-106.08	374.33	7.40	-98.68
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000414455	0	40	-2.0	-96.38	364.92	7.52	-88.86
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000414456	0	43	-2.0	-109.94	382.96	7.83	-102.11
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000414457	0	43	-2.0	-111.74	383.03	8.15	-103.59
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000414458	0	40	-2.0	-106.65	370.98	7.35	-99.30
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000414459	0	40	-2.0	-116.73	374.53	7.44	-109.29
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000414460	0	43	-2.0	-111.80	383.82	7.94	-103.86
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000414461	0	41	-2.0	-109.29	377.45	6.96	-102.33
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000414462	0	40	-2.0	-96.26	365.51	7.29	-88.97
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000414463	0	40	-2.0	-106.66	369.45	7.55	-99.11
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000414464	0	37	-2.0	-115.94	353.13	6.77	-109.17
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000414465	0	40	-2.0	-99.25	370.67	7.32	-91.93
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000414466	0	36	-2.0	-105.37	345.71	4.88	-100.49
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000414467	0	41	-2.0	-100.32	377.70	6.54	-93.78
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000414468	0	34	-2.0	-95.60	349.60	5.73	-89.87
CCOC(=O)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000414469	0	40	-2.0	-99.81	371.62	6.74	-93.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(COC3=CC=CC=C3)C=C2)=C1	REAL300000414471	1	42	-2.0	-109.23	376.95	8.28	-100.95
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(COC3=CC=CC=C3)C=C2)=C1	REAL300000414473	0	39	-2.0	-103.55	370.13	7.30	-96.25
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(COC2=CC=CC=C2)C=C1	REAL300000414474	1	45	-2.0	-110.14	392.37	9.07	-101.07
CN1C=C(S(=O)(=O)[N-]C2=CC=C(COC3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000414475	1	43	-2.0	-107.68	383.60	7.64	-100.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(COC3=CC=CC=C3)C=C2)=CS1	REAL300000414476	0	39	-2.0	-105.75	368.60	7.32	-98.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(COC3=CC=CC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000414477	0	42	-2.0	-103.24	379.95	7.42	-95.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(COC3=CC=CC=C3)C=C2)S1	REAL300000414478	0	39	-2.0	-98.89	369.22	7.42	-91.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(COC3=CC=CC=C3)C=C2)=C1	REAL300000414479	0	43	-2.0	-109.24	386.66	5.99	-103.25
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(COC3=CC=CC=C3)C=C2)=C1	REAL300000414479	1	43	-2.0	-105.96	385.85	6.80	-99.16
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(COC3=CC=CC=C3)C=C2)C=C1	REAL300000414480	1	45	-2.0	-100.65	399.11	9.07	-91.58
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(COC2=CC=CC=C2)C=C1	REAL300000414481	1	45	-2.0	-107.13	390.77	9.02	-98.11
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(COC3=CC=CC=C3)C=C2)=C1	REAL300000414484	0	41	-2.0	-107.68	373.16	6.40	-101.28
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1	REAL300000414485	1	42	-2.0	-89.49	371.36	5.70	-83.79
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000414487	0	43	-2.0	-107.47	374.51	8.20	-99.27
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414488	0	35	-2.0	-103.76	331.30	7.82	-95.94
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414490	1	35	-2.0	-108.86	314.90	7.10	-101.76
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000414491	0	39	-2.0	-114.72	343.02	6.91	-107.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC=C1Br	REAL300000414492	1	35	-2.0	-104.14	331.13	7.59	-96.55
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414495	0	35	-2.0	-104.49	327.96	7.67	-96.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC=C1Cl	REAL300000414496	1	35	-2.0	-104.52	327.39	7.49	-97.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C(Cl)C=C1Cl	REAL300000414497	0	35	-2.0	-99.99	340.44	8.06	-91.93
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414499	0	35	-2.0	-106.25	320.36	7.16	-99.09
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1	REAL300000414500	1	41	-2.0	-94.99	358.46	8.69	-86.30
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414501	0	32	-2.0	-102.94	308.07	6.13	-96.81
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000414504	1	36	-2.0	-107.18	321.53	6.46	-100.72
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414506	0	35	-2.0	-99.00	324.01	6.79	-92.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CS1	REAL300000414508	1	32	-2.0	-104.44	306.53	6.14	-98.30
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000414512	1	44	-2.0	-112.28	368.78	9.11	-103.17
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000414514	0	42	-2.0	-115.20	365.32	7.67	-107.53
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3CC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000414515	0	38	-2.0	-108.24	346.00	7.63	-100.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000414515	1	37	-3.0	-184.35	343.30	7.68	-176.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000414517	0	35	-2.0	-102.53	317.89	6.26	-96.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414519	0	39	-2.0	-109.90	343.85	6.20	-103.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC(Cl)=C1Cl	REAL300000414521	1	35	-2.0	-98.25	342.57	7.96	-90.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C(Cl)C=C1F	REAL300000414522	0	35	-2.0	-100.98	332.48	7.70	-93.28
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1F	REAL300000414525	1	45	-2.0	-93.29	394.63	8.35	-84.94
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000414526	1	38	-2.0	-100.14	335.59	7.93	-92.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1F	REAL300000414528	1	39	-2.0	-93.63	352.19	7.45	-86.18
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C(C(=O)[O-])S1	REAL300000414530	1	35	-2.0	-105.98	324.57	7.00	-98.98
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414531	0	35	-2.0	-98.11	343.10	8.12	-89.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C(Cl)=C1	REAL300000414532	1	35	-2.0	-93.58	327.93	7.67	-85.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C(Br)=C1	REAL300000414533	1	35	-2.0	-92.99	331.28	7.82	-85.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1F	REAL300000414534	1	35	-2.0	-95.41	319.42	7.15	-88.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)S1	REAL300000414535	0	32	-2.0	-97.80	307.15	6.23	-91.57
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414536	1	35	-2.0	-99.47	321.30	7.17	-92.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1F	REAL300000414537	0	38	-2.0	-107.80	340.63	7.80	-100.00
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000414538	0	39	-2.0	-98.21	355.18	7.73	-90.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C(F)=C1	REAL300000414539	0	35	-2.0	-95.53	320.35	7.18	-88.35
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000414541	1	38	-2.0	-101.93	344.33	8.30	-93.63
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1	REAL300000414542	1	43	-2.0	-92.28	378.63	8.52	-83.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC(F)=C1F	REAL300000414544	1	35	-2.0	-97.46	325.71	7.20	-90.26
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414545	1	37	-2.0	-93.48	343.07	7.77	-85.71
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414546	0	36	-2.0	-108.86	324.60	4.82	-104.04
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3CC3)C=C2)=C1	REAL300000414546	1	36	-2.0	-105.75	323.81	5.61	-100.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1	REAL300000414547	1	38	-2.0	-100.48	337.06	7.89	-92.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC(Cl)=C1F	REAL300000414548	1	35	-2.0	-99.02	335.60	7.64	-91.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000414553	1	37	-2.0	-106.75	341.46	8.20	-98.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414554	0	35	-2.0	-97.63	326.64	7.24	-90.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000414556	0	38	-2.0	-107.49	336.36	7.71	-99.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1Cl	REAL300000414557	0	38	-2.0	-106.34	346.66	8.24	-98.10
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414558	0	38	-2.0	-113.69	339.91	7.80	-105.89
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000414561	1	38	-2.0	-98.03	341.15	8.29	-89.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000414563	1	38	-2.0	-106.44	346.10	8.08	-98.36
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414564	1	35	-2.0	-101.42	336.18	7.72	-93.70
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000414565	1	39	-2.0	-108.45	342.89	7.32	-101.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C(F)C(Cl)=C1F	REAL300000414567	0	35	-2.0	-96.24	340.49	7.67	-88.57
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C(C(=O)[O-])S1	REAL300000414569	1	44	-2.0	-105.73	364.32	9.25	-96.48
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000414570	1	39	-2.0	-110.08	355.20	7.74	-102.34
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C([N+](=O)[O-])=C1	REAL300000414572	0	40	-2.0	-101.33	358.15	9.29	-92.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1[N+](=O)[O-]	REAL300000414574	0	37	-2.0	-116.06	338.60	8.96	-107.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1F	REAL300000414575	0	35	-2.0	-112.90	318.54	7.15	-105.75
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000414576	1	38	-2.0	-100.39	336.06	7.67	-92.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC2=CC=CC=C21	REAL300000414577	1	41	-2.0	-117.37	355.92	9.23	-108.14
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000414578	0	34	-2.0	-106.62	311.10	5.23	-101.39
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000414579	0	39	-2.0	-100.55	343.09	6.91	-93.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C(Cl)O1	REAL300000414580	0	32	-2.0	-96.26	315.02	6.10	-90.16
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4CC4)C=C3)C=C2)CC1	REAL300000414581	1	42	-2.0	-102.84	361.01	8.99	-93.85
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4CC4)C=C3)C=C2C1	REAL300000414582	1	42	-2.0	-105.60	360.33	8.99	-96.61
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000414583	0	38	-2.0	-102.50	337.01	7.11	-95.39
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1C1=CC=CC(Cl)=C1	REAL300000414584	0	38	-2.0	-105.03	364.25	8.07	-96.96
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1C1=CC=CC(Cl)=C1	REAL300000414585	0	38	-2.0	-124.41	365.70	8.11	-116.30
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1C1=CC=CC(Cl)=C1	REAL300000414586	0	35	-2.0	-112.10	357.48	7.09	-105.01
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1C1=CC=CC(Cl)=C1	REAL300000414587	0	39	-2.0	-122.29	372.35	7.45	-114.84
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1C1=CC=CC(Cl)=C1	REAL300000414588	0	35	-2.0	-119.50	357.35	7.14	-112.36
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1C1=CC=CC(Cl)=C1	REAL300000414589	0	38	-2.0	-111.61	367.31	7.21	-104.40
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1C1=CC=CC(Cl)=C1	REAL300000414590	0	35	-2.0	-106.83	356.55	7.19	-99.64
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1C1=CC=CC(Cl)=C1	REAL300000414591	0	37	-2.0	-121.88	361.91	6.23	-115.65
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CC=C1S(N)(=O)=O	REAL300000414592	1	35	-2.0	-103.59	332.32	-1.51	-105.10
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1S(N)(=O)=O	REAL300000414593	1	35	-2.0	-94.28	328.95	-1.64	-95.92
NC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1S(N)(=O)=O	REAL300000414594	1	35	-2.0	-105.09	328.97	-1.64	-106.73
NC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=CC=C1S(N)(=O)=O	REAL300000414595	1	39	-2.0	-94.22	360.42	-0.36	-94.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2N)C=C1C(=O)[O-]	REAL300000414596	1	38	-2.0	-108.76	343.80	-1.01	-109.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2N)=C1C	REAL300000414597	1	41	-2.0	-109.04	362.13	-0.33	-109.37
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CC=C1S(N)(=O)=O	REAL300000414598	0	35	-2.0	-103.20	334.45	-1.58	-104.78
NC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=CC=C1S(N)(=O)=O	REAL300000414599	1	41	-2.0	-93.63	372.60	-0.07	-93.70
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC=C1S(N)(=O)=O	REAL300000414600	0	32	-2.0	-100.03	322.15	-2.63	-102.66
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(N)(=O)=O)=C1N	REAL300000414601	1	38	-2.0	-107.31	344.45	-0.88	-108.19
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2N)C=C1C(=O)[O-]	REAL300000414602	0	36	-2.0	-104.40	335.66	-2.32	-106.72
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2N)=C1	REAL300000414603	0	35	-2.0	-97.87	338.13	-1.98	-99.85
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2N)C=C1C(=O)[O-]	REAL300000414604	1	41	-2.0	-107.77	360.42	-0.34	-108.11
NC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1S(N)(=O)=O	REAL300000414605	0	32	-2.0	-101.98	319.43	-2.51	-104.49
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(N)(=O)=O)=C1N	REAL300000414606	1	41	-2.0	-105.83	357.32	0.08	-105.75
CC1=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2N)C=C(C(=O)[O-])O1	REAL300000414607	0	35	-2.0	-100.30	331.97	-2.51	-102.81
CC1=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2N)C=C(C(=O)[O-])S1	REAL300000414608	0	35	-2.0	-103.33	338.66	-1.78	-105.11
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC=C1S(N)(=O)=O	REAL300000414609	1	35	-2.0	-94.65	333.53	-1.61	-96.26
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC=C1S(N)(=O)=O	REAL300000414610	0	32	-2.0	-96.19	321.23	-2.52	-98.71
NC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC=C1S(N)(=O)=O	REAL300000414611	0	35	-2.0	-98.61	334.19	-1.48	-100.09
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC=C1S(N)(=O)=O	REAL300000414612	0	35	-2.0	-94.15	334.49	-1.58	-95.73
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CC=C1S(N)(=O)=O	REAL300000414613	0	36	-2.0	-106.14	338.68	-3.94	-110.08
NC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC=C1S(N)(=O)=O	REAL300000414613	1	36	-2.0	-109.92	333.08	-3.14	-113.06
NC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CC=C1S(N)(=O)=O	REAL300000414614	1	38	-2.0	-97.58	351.14	-0.86	-98.44
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(S(N)(=O)=O)=C1N	REAL300000414615	1	38	-2.0	-102.99	339.06	-1.03	-104.02
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(S(N)(=O)=O)=C1N	REAL300000414616	1	38	-2.0	-94.43	344.38	-0.88	-95.31
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2N)=CC(C(=O)[O-])=C1C	REAL300000414617	1	41	-2.0	-107.87	361.84	-0.58	-108.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2N)C(C)=C1C(=O)[O-]	REAL300000414618	1	41	-2.0	-106.91	362.49	-0.25	-107.16
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2N)C=C1C(=O)[O-]	REAL300000414619	1	41	-2.0	-108.77	363.28	-0.46	-109.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2N)C=C1C(=O)[O-]	REAL300000414620	0	39	-2.0	-105.03	356.91	-1.46	-106.49
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2N)=CC=C1C(=O)[O-]	REAL300000414621	1	38	-2.0	-94.78	343.79	-1.01	-95.79
NC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CC=C1S(N)(=O)=O	REAL300000414622	0	35	-2.0	-110.28	332.60	-1.62	-111.90
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1S(N)(=O)=O	REAL300000414623	0	34	-2.0	-104.32	326.01	-3.60	-107.92
NC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC=C1S(N)(=O)=O	REAL300000414624	0	32	-2.0	-94.31	329.07	-2.69	-97.00
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(S(N)(=O)=O)=C2N)C=C(C(=O)[O-])O1	REAL300000414625	0	38	-2.0	-100.58	351.14	-1.66	-102.24
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C(F)C=C(Cl)C=C2F)=C1	REAL300000414649	0	31	-2.0	-105.84	324.48	6.30	-99.54
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(F)C=C(Cl)C=C2F)=C1	REAL300000414668	0	29	-2.0	-105.48	292.27	3.49	-101.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)=CC=C1F	REAL300000414698	1	35	-2.0	-102.72	334.80	3.89	-98.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)C=C1	REAL300000414699	1	35	-2.0	-93.79	330.25	3.87	-89.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)=C1	REAL300000414700	1	35	-2.0	-105.06	330.27	3.86	-101.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)C=C1C(=O)[O-]	REAL300000414701	1	38	-2.0	-108.06	346.28	4.40	-103.66
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)=C1	REAL300000414702	0	35	-2.0	-102.58	335.69	3.94	-98.64
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)=C1	REAL300000414703	0	32	-2.0	-99.91	323.39	2.90	-97.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(O)C(F)(F)F	REAL300000414704	1	38	-2.0	-105.48	341.82	4.54	-100.94
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)C=C1C(=O)[O-]	REAL300000414705	0	36	-2.0	-103.55	336.91	3.21	-100.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)=C1	REAL300000414706	0	35	-2.0	-97.09	339.42	3.55	-93.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)=CS1	REAL300000414707	0	32	-2.0	-101.08	321.91	2.90	-98.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300000414708	0	35	-2.0	-99.17	332.55	3.00	-96.17
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)C=C(C(=O)[O-])S1	REAL300000414709	0	35	-2.0	-102.17	336.49	3.69	-98.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)C=C1F	REAL300000414710	1	35	-2.0	-93.58	334.79	3.90	-89.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)S1	REAL300000414711	0	32	-2.0	-95.87	322.47	3.01	-92.86
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)=C1	REAL300000414712	0	35	-2.0	-97.79	336.67	3.94	-93.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)C(F)=C1	REAL300000414713	0	35	-2.0	-93.29	335.74	3.94	-89.35
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)=C1	REAL300000414714	0	36	-2.0	-104.22	337.52	1.72	-102.50
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2C(O)C(F)(F)F)=C1	REAL300000414714	1	36	-2.0	-105.05	329.63	2.44	-102.61
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)C=C1	REAL300000414715	1	38	-2.0	-97.08	352.43	4.65	-92.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(O)C(F)(F)F	REAL300000414716	1	38	-2.0	-102.76	337.02	4.39	-98.37
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(O)C(F)(F)F	REAL300000414717	1	38	-2.0	-93.51	341.90	4.53	-88.98
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)C=C1C(=O)[O-]	REAL300000414718	0	39	-2.0	-104.86	358.30	4.08	-100.78
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000414719	1	38	-2.0	-95.36	350.32	4.51	-90.85
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)=C1F	REAL300000414720	0	35	-2.0	-110.77	333.90	3.89	-106.88
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)=C1	REAL300000414721	0	34	-2.0	-104.51	326.48	1.98	-102.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)=C(Cl)O1	REAL300000414722	0	32	-2.0	-93.71	330.32	2.85	-90.86
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300000414723	0	38	-2.0	-98.75	348.51	3.60	-95.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)=CC=C1F	REAL300000414724	1	41	-2.0	-121.49	364.61	4.77	-116.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)C=C1	REAL300000414725	1	41	-2.0	-112.15	360.07	4.75	-107.40
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)=C1	REAL300000414726	1	41	-2.0	-124.83	360.08	4.73	-120.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)C=C1C(=O)[O-]	REAL300000414727	1	44	-2.0	-126.38	376.11	5.27	-121.11
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)=C1	REAL300000414728	0	41	-2.0	-121.15	359.33	4.78	-116.37
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)=C1	REAL300000414729	0	38	-2.0	-119.20	353.30	3.76	-115.44
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CN1CCNC1=O	REAL300000414730	1	44	-2.0	-122.83	371.90	5.44	-117.39
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)C=C1C(=O)[O-]	REAL300000414731	0	42	-2.0	-123.24	366.74	4.08	-119.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)=C1	REAL300000414732	0	41	-2.0	-115.58	369.20	4.43	-111.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)=CS1	REAL300000414733	0	38	-2.0	-120.32	351.73	3.77	-116.55
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)C=C(C(=O)[O-])O1	REAL300000414734	0	41	-2.0	-116.96	360.41	3.82	-113.14
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)C=C(C(=O)[O-])S1	REAL300000414735	0	41	-2.0	-119.67	365.75	4.56	-115.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)C=C1F	REAL300000414736	1	41	-2.0	-111.46	364.59	4.78	-106.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)S1	REAL300000414737	0	38	-2.0	-114.09	352.38	3.87	-110.22
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)=C1	REAL300000414738	1	41	-2.0	-116.57	366.52	4.81	-111.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)C(F)=C1	REAL300000414739	0	41	-2.0	-110.65	359.31	4.78	-105.87
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)=C1	REAL300000414740	0	42	-2.0	-121.23	366.41	2.84	-118.39
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2CN2CCNC2=O)=C1	REAL300000414740	1	42	-2.0	-130.56	360.91	2.81	-127.75
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)C=C1	REAL300000414741	1	44	-2.0	-115.26	382.26	5.53	-109.73
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CN1CCNC1=O	REAL300000414742	1	44	-2.0	-119.35	367.87	5.34	-114.01
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CN1CCNC1=O	REAL300000414743	1	44	-2.0	-110.14	371.67	5.48	-104.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)C=C1C(=O)[O-]	REAL300000414744	0	45	-2.0	-124.68	388.10	4.95	-119.73
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)=CC=C1C(=O)[O-]	REAL300000414745	1	44	-2.0	-112.48	376.09	5.28	-107.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)=C1F	REAL300000414746	0	41	-2.0	-126.38	357.49	4.75	-121.63
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)=C1	REAL300000414747	0	40	-2.0	-124.49	356.29	2.85	-121.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)=C(Cl)O1	REAL300000414748	0	38	-2.0	-111.81	352.24	3.69	-108.12
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CN2CCNC2=O)C=C(C(=O)[O-])O1	REAL300000414749	0	44	-2.0	-116.42	379.32	4.72	-111.70
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=NN1	REAL300000414750	0	39	-2.0	-99.51	366.74	-1.72	-101.23
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1	REAL300000414751	0	32	-2.0	-113.30	314.81	-0.28	-113.58
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C)=C1C(N)=O	REAL300000414752	0	40	-2.0	-115.14	369.91	0.79	-114.35
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1	REAL300000414753	0	32	-2.0	-105.52	310.27	-0.30	-105.82
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1	REAL300000414754	0	32	-2.0	-120.10	310.28	-0.31	-120.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C)=C1C(N)=O	REAL300000414755	0	36	-2.0	-121.38	338.43	-0.50	-121.88
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1	REAL300000414756	0	36	-2.0	-105.54	341.74	0.98	-104.56
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1	REAL300000414757	0	35	-2.0	-121.54	326.31	0.22	-121.32
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NN1	REAL300000414758	0	32	-2.0	-111.88	323.36	0.26	-111.62
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN1	REAL300000414759	0	32	-2.0	-111.84	322.78	0.08	-111.76
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=NN1	REAL300000414760	0	32	-2.0	-107.58	335.85	0.63	-106.95
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)=NN1	REAL300000414761	0	38	-2.0	-118.17	343.39	1.03	-117.14
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1	REAL300000414762	0	32	-2.0	-113.82	315.76	-0.25	-114.07
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1	REAL300000414763	0	38	-2.0	-104.42	353.85	1.28	-103.14
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1	REAL300000414764	0	29	-2.0	-110.95	303.48	-1.29	-112.24
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1	REAL300000414765	0	35	-2.0	-116.37	325.72	0.48	-115.89
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NN1	REAL300000414766	0	36	-2.0	-103.93	341.35	-0.03	-103.96
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1	REAL300000414767	0	33	-2.0	-114.95	316.95	-0.96	-115.91
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NN1	REAL300000414768	0	36	-2.0	-116.79	334.49	-1.49	-118.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC(C)=C2C(N)=O)=C1	REAL300000414769	0	32	-2.0	-109.19	319.40	-0.63	-109.82
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=NN1	REAL300000414770	0	38	-2.0	-117.54	341.74	1.01	-116.53
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1	REAL300000414771	0	29	-2.0	-115.70	301.93	-1.28	-116.98
COC1=CC(S(=O)(=O)[N-]C2=NNC(C)=C2C(N)=O)=CC(C(=O)[O-])=C1OC	REAL300000414772	0	40	-2.0	-120.53	368.61	-0.50	-121.03
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000414773	0	36	-2.0	-121.73	337.58	-0.24	-121.97
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=NN1	REAL300000414774	0	42	-2.0	-124.89	365.52	2.32	-122.57
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=NN1	REAL300000414775	0	41	-2.0	-118.50	364.18	1.70	-116.80
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C)=C1C(N)=O	REAL300000414776	0	38	-2.0	-114.24	340.41	1.41	-112.83
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C)=C1C(N)=O	REAL300000414777	0	39	-2.0	-121.99	360.72	0.26	-121.73
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=NN1	REAL300000414778	0	34	-3.0	-193.05	338.68	0.25	-192.80
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=NN1	REAL300000414779	0	39	-2.0	-120.65	354.53	1.57	-119.08
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1	REAL300000414780	0	32	-2.0	-109.99	313.29	-1.17	-111.16
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=NN1	REAL300000414781	0	38	-2.0	-124.86	352.47	-0.54	-125.40
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=NN1	REAL300000414782	0	36	-2.0	-120.81	339.27	-1.22	-122.03
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=NN1	REAL300000414783	0	40	-2.0	-106.53	363.91	0.31	-106.22
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=NN1	REAL300000414784	0	32	-2.0	-106.00	337.98	0.54	-105.46
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=NN1	REAL300000414785	0	32	-2.0	-108.54	327.88	0.26	-108.28
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=NN1	REAL300000414786	0	36	-2.0	-102.09	357.37	0.51	-101.58
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=NN1	REAL300000414787	0	39	-2.0	-104.58	361.45	0.68	-103.90
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NN1	REAL300000414788	0	35	-2.0	-107.48	330.99	0.50	-106.98
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=NN1	REAL300000414789	0	45	-2.0	-104.43	403.87	1.61	-102.82
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=NN1	REAL300000414790	0	36	-2.0	-102.91	347.57	0.04	-102.87
CCOC1=CC=C(S(=O)(=O)[N-]C2=NNC(C)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000414791	0	39	-2.0	-126.97	359.41	0.66	-126.31
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1	REAL300000414792	0	32	-2.0	-113.08	318.91	-0.42	-113.50
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=NN1	REAL300000414793	0	32	-2.0	-106.06	338.51	0.71	-105.35
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NN1	REAL300000414794	0	32	-2.0	-103.16	323.34	0.25	-102.91
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1	REAL300000414795	0	32	-2.0	-104.72	314.83	-0.27	-104.99
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1	REAL300000414796	0	29	-2.0	-108.01	302.54	-1.18	-109.19
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1	REAL300000414797	0	32	-2.0	-107.24	316.68	-0.25	-107.49
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)=NN1	REAL300000414798	0	35	-2.0	-115.26	336.04	0.39	-114.87
COC1=CC(S(=O)(=O)[N-]C2=NNC(C)=C2C(N)=O)=C(Cl)C=C1C(=O)[O-]	REAL300000414799	0	36	-2.0	-107.84	350.60	0.32	-107.52
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1	REAL300000414800	0	32	-2.0	-105.41	315.75	-0.24	-105.65
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1	REAL300000414801	0	32	-2.0	-102.93	322.80	0.09	-102.84
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=NN1	REAL300000414802	0	35	-2.0	-109.05	339.73	0.89	-108.16
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=NN1	REAL300000414803	0	40	-2.0	-102.14	374.02	1.10	-101.04
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NN1	REAL300000414804	0	32	-2.0	-105.42	321.12	-0.22	-105.64
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=NN1	REAL300000414805	0	34	-2.0	-101.76	338.47	0.36	-101.40
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1	REAL300000414806	0	33	-2.0	-115.26	320.00	-2.60	-117.86
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1	REAL300000414807	0	35	-2.0	-109.14	332.45	0.47	-108.67
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=NN1	REAL300000414808	0	32	-2.0	-106.80	331.01	0.22	-106.58
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1	REAL300000414809	0	35	-2.0	-116.19	320.35	0.33	-115.86
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)=NN1	REAL300000414810	0	35	-2.0	-114.69	335.14	0.34	-114.35
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1	REAL300000414811	0	35	-2.0	-105.08	325.70	0.47	-104.61
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=NN1	REAL300000414812	0	38	-2.0	-124.96	347.12	0.86	-124.10
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=NN1	REAL300000414813	0	34	-2.0	-118.70	336.85	0.79	-117.91
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NN1	REAL300000414814	0	32	-2.0	-106.04	322.04	-0.19	-106.23
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1	REAL300000414815	0	38	-2.0	-120.34	344.76	1.07	-119.27
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=NN1	REAL300000414816	0	35	-2.0	-114.95	331.76	0.29	-114.66
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)=NN1	REAL300000414817	0	35	-2.0	-113.61	342.05	0.83	-112.78
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=NN1	REAL300000414818	0	35	-2.0	-125.53	335.30	0.38	-125.15
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000414819	0	38	-2.0	-122.39	344.26	0.87	-121.52
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C)=C2C(N)=O)C=C1CC(=O)[O-]	REAL300000414820	0	39	-2.0	-118.34	360.74	-0.18	-118.52
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=NN1	REAL300000414821	0	35	-2.0	-109.07	336.55	0.87	-108.20
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=NN1	REAL300000414822	0	35	-2.0	-102.49	340.42	0.49	-102.00
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)=NN1	REAL300000414823	0	35	-2.0	-113.57	341.53	0.65	-112.92
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000414824	0	36	-2.0	-116.15	338.32	-0.09	-116.24
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=NN1	REAL300000414825	0	44	-2.0	-120.95	375.43	2.57	-118.38
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=NN1	REAL300000414826	0	32	-2.0	-104.58	335.89	0.24	-104.34
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=NN1	REAL300000414827	0	35	-2.0	-113.17	340.14	0.65	-112.52
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=NN1	REAL300000414828	0	41	-2.0	-112.18	359.72	1.77	-110.41
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NNC(C)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000414829	0	36	-2.0	-117.37	350.61	0.31	-117.06
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1	REAL300000414830	0	35	-2.0	-105.63	326.30	0.23	-105.40
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=NN1	REAL300000414831	0	37	-2.0	-111.86	353.55	1.89	-109.97
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NN1	REAL300000414832	0	35	-2.0	-113.64	330.24	0.51	-113.13
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=NN1	REAL300000414833	0	34	-2.0	-128.27	334.04	1.55	-126.72
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1	REAL300000414834	0	32	-2.0	-124.77	313.93	-0.29	-125.06
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NN1	REAL300000414835	0	35	-2.0	-111.42	331.44	0.26	-111.16
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=NN1	REAL300000414836	0	38	-2.0	-129.02	351.34	1.82	-127.20
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1	REAL300000414837	0	31	-2.0	-117.03	306.50	-2.19	-119.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C)=C1C(N)=O	REAL300000414838	0	36	-2.0	-109.46	338.49	-0.50	-109.96
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1	REAL300000414839	0	29	-2.0	-104.88	310.39	-1.34	-106.22
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=NN1	REAL300000414840	0	39	-2.0	-113.24	356.40	1.58	-111.66
CC1=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=NN1	REAL300000414841	0	39	-2.0	-117.25	355.72	1.58	-115.67
CCC1=C(S(=O)(=O)[N-]C2=NNC(C)=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000414842	0	35	-2.0	-109.50	332.41	-0.31	-109.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CC=N4)=NC3=C2)C=C1	REAL300000414843	1	40	-2.0	-101.81	367.87	5.75	-96.06
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CC=N4)=NC3=C2)=C1	REAL300000414844	1	40	-2.0	-114.27	367.89	5.74	-108.53
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CC=N4)=NC3=C2)C=C1C(=O)[O-]	REAL300000414845	0	41	-2.0	-112.82	374.53	5.10	-107.72
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CC=N4)=NC3=C2)C=C(C(=O)[O-])O1	REAL300000414846	0	40	-2.0	-107.68	370.90	4.89	-102.79
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CC=N4)NC3=C2)C=C(C(=O)[O-])O1	REAL300000414846	1	40	-2.0	-105.24	370.79	4.88	-100.36
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CC=N4)=NC3=C2)=C1	REAL300000414847	0	39	-2.0	-111.85	364.11	3.86	-107.99
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CC=N4)NC3=C2)=C1	REAL300000414847	1	39	-2.0	-108.84	364.00	3.87	-104.97
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000414848	0	35	-2.0	-109.16	333.54	3.04	-106.12
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000414849	0	35	-2.0	-99.06	329.00	3.02	-96.04
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000414850	0	35	-2.0	-111.69	329.01	3.01	-108.68
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000414851	0	39	-2.0	-115.20	357.15	2.81	-112.39
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000414852	0	39	-2.0	-97.83	360.46	4.31	-93.52
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000414853	0	38	-2.0	-112.33	345.02	3.54	-108.79
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000414854	0	35	-2.0	-105.51	342.08	3.58	-101.93
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000414855	0	35	-2.0	-107.55	341.52	3.40	-104.15
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000414856	0	41	-2.0	-112.27	362.11	4.35	-107.92
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000414857	0	35	-2.0	-107.60	334.49	3.07	-104.53
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000414858	0	41	-2.0	-97.01	372.58	4.60	-92.41
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000414859	0	32	-2.0	-105.63	322.19	2.03	-103.60
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000414860	0	38	-2.0	-110.37	344.44	3.80	-106.57
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000414861	0	39	-2.0	-96.65	360.08	3.30	-93.35
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000414862	0	36	-2.0	-110.13	335.66	2.37	-107.76
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000414863	1	39	-2.0	-110.52	353.21	1.82	-108.70
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000414864	0	35	-2.0	-102.05	338.12	2.70	-99.35
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000414865	0	41	-2.0	-112.21	360.46	4.33	-107.88
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000414866	0	32	-2.0	-107.42	320.66	2.04	-105.38
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000414867	0	39	-2.0	-117.61	356.30	3.08	-114.53
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000414868	0	44	-2.0	-112.11	382.18	5.01	-107.10
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(=O)OC	REAL300000414869	0	41	-2.0	-107.79	354.61	4.55	-103.24
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000414870	0	42	-2.0	-116.82	379.44	3.58	-113.24
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000414871	0	37	-3.0	-188.79	357.41	3.57	-185.22
COC(=O)C1=CC(O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000414871	1	38	-2.0	-107.87	355.61	3.50	-104.37
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000414872	0	42	-2.0	-115.52	373.25	4.91	-110.61
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000414873	0	35	-2.0	-104.34	332.02	2.16	-102.18
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000414874	0	39	-2.0	-113.74	357.93	2.11	-111.63
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000414875	0	42	-2.0	-97.17	380.16	4.00	-93.17
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000414876	0	38	-2.0	-101.99	349.72	3.84	-98.15
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000414877	0	39	-2.0	-96.25	366.30	3.36	-92.89
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000414878	0	42	-2.0	-117.67	378.14	3.99	-113.68
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000414879	0	35	-2.0	-107.10	337.63	2.90	-104.20
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000414880	0	35	-2.0	-96.44	342.06	3.57	-92.87
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000414881	0	35	-2.0	-98.56	333.54	3.05	-95.51
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000414882	0	32	-2.0	-100.96	321.26	2.14	-98.82
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000414883	0	35	-2.0	-102.15	335.43	3.08	-99.07
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000414884	0	38	-2.0	-109.24	354.75	3.70	-105.54
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000414885	0	35	-2.0	-98.83	334.47	3.08	-95.75
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000414886	0	35	-2.0	-96.63	341.51	3.41	-93.22
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000414887	0	38	-2.0	-103.60	358.45	4.22	-99.38
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000414888	0	35	-2.0	-100.30	339.83	3.10	-97.20
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000414889	0	37	-2.0	-96.88	357.20	3.68	-93.20
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000414890	0	36	-2.0	-109.07	338.72	0.71	-108.36
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000414891	0	38	-2.0	-101.74	351.18	3.80	-97.94
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000414892	0	38	-2.0	-108.86	339.05	3.65	-105.21
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000414893	0	38	-2.0	-110.67	353.84	3.66	-107.01
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000414894	1	38	-2.0	-98.90	344.42	3.79	-95.11
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000414895	0	41	-2.0	-114.48	361.89	4.08	-110.40
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000414896	0	37	-2.0	-109.46	355.58	4.11	-105.35
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000414897	0	35	-2.0	-99.83	340.74	3.14	-96.69
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000414898	1	41	-2.0	-113.18	363.49	4.40	-108.78
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000414899	0	38	-2.0	-108.82	350.48	3.61	-105.21
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000414900	0	38	-2.0	-107.37	360.79	4.15	-103.22
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000414901	0	38	-2.0	-117.41	354.04	3.70	-113.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000414902	0	41	-2.0	-113.09	362.97	4.20	-108.89
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000414903	0	42	-2.0	-114.79	379.47	3.14	-111.65
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000414904	0	38	-2.0	-101.53	355.27	4.20	-97.33
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000414905	0	38	-2.0	-109.49	360.23	3.97	-105.52
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000414906	0	39	-2.0	-111.46	357.03	3.22	-108.24
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000414907	0	38	-2.0	-104.73	358.87	3.98	-100.75
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000414908	0	38	-2.0	-100.86	349.08	3.65	-97.21
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000414909	0	38	-2.0	-107.75	348.96	3.81	-103.94
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000414910	0	37	-2.0	-119.59	352.74	4.86	-114.73
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000414911	0	35	-2.0	-116.48	332.64	3.04	-113.44
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000414912	0	38	-2.0	-103.12	350.17	3.58	-99.54
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000414913	0	34	-2.0	-109.27	325.22	1.13	-108.14
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000414914	0	39	-2.0	-103.00	357.21	2.80	-100.20
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000414915	0	32	-2.0	-98.87	329.11	1.98	-96.89
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000414916	0	42	-2.0	-104.99	375.13	4.90	-100.09
COC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000414917	0	42	-2.0	-109.46	373.09	4.87	-104.59
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000414918	0	38	-2.0	-103.59	347.28	2.90	-100.69
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C(F)F)=NN1	REAL300000414919	0	38	-2.0	-87.89	354.82	1.72	-86.17
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000414919	1	38	-2.0	-85.32	353.54	1.76	-83.56
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414920	0	31	-2.0	-99.07	301.74	3.17	-95.90
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000414920	1	31	-2.0	-104.48	302.69	3.12	-101.36
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)NN=C1C(F)F	REAL300000414921	0	39	-2.0	-104.70	358.76	4.16	-100.54
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)NN=C1C	REAL300000414921	1	39	-2.0	-104.44	358.13	4.21	-100.23
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(F)F)=NN1	REAL300000414922	0	31	-2.0	-94.74	298.33	3.14	-91.60
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000414922	1	31	-2.0	-91.62	297.05	3.18	-88.44
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414923	0	31	-2.0	-107.13	297.18	3.19	-103.94
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000414923	1	31	-2.0	-108.89	298.84	3.11	-105.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)NN=C1C(F)F	REAL300000414924	0	35	-2.0	-112.58	327.29	2.87	-109.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)NN=C1C	REAL300000414924	1	35	-2.0	-111.23	326.65	2.93	-108.30
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(F)F)=NN1	REAL300000414925	0	35	-2.0	-93.85	329.81	4.42	-89.43
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000414925	1	35	-2.0	-91.19	328.53	4.47	-86.72
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414926	0	34	-2.0	-101.76	312.63	3.75	-98.01
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000414926	1	34	-2.0	-107.32	313.62	3.68	-103.64
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(F)F)=NN1	REAL300000414927	0	31	-2.0	-103.04	311.36	3.70	-99.34
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000414927	1	31	-2.0	-102.01	309.59	3.62	-98.39
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414928	0	31	-2.0	-97.39	309.71	3.53	-93.86
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000414928	1	31	-2.0	-102.76	310.66	3.49	-99.27
CC1=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414929	0	37	-2.0	-110.20	329.75	4.55	-105.65
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000414929	1	37	-2.0	-103.34	329.06	4.49	-98.85
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(F)F)=NN1	REAL300000414930	0	31	-2.0	-104.04	303.76	3.19	-100.85
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000414930	1	31	-2.0	-103.77	304.00	3.19	-100.58
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(F)F)=NN1	REAL300000414931	0	37	-2.0	-92.57	341.92	4.72	-87.85
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000414931	1	37	-2.0	-90.06	340.28	4.78	-85.28
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(F)F)=NN1	REAL300000414932	0	28	-2.0	-102.84	291.47	2.15	-100.69
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000414932	1	28	-2.0	-101.71	291.70	2.15	-99.56
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(F)F)=NN1	REAL300000414933	0	34	-2.0	-108.98	314.05	3.91	-105.07
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000414933	1	34	-2.0	-106.74	313.95	3.91	-102.83
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(F)F)=NN1	REAL300000414934	0	35	-2.0	-92.37	329.42	3.41	-88.96
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000414934	1	35	-2.0	-89.67	328.15	3.46	-86.21
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414935	0	32	-2.0	-107.06	305.80	2.46	-104.60
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000414935	1	32	-2.0	-103.16	303.71	2.54	-100.62
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C(F)F)=NN1	REAL300000414936	0	35	-2.0	-108.79	322.55	1.90	-106.89
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000414936	1	35	-2.0	-106.83	322.16	1.98	-104.85
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)NN=C2C(F)F)=C1	REAL300000414937	0	31	-2.0	-93.78	306.04	2.83	-90.95
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000414937	1	31	-2.0	-93.19	306.02	2.83	-90.36
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414938	0	37	-2.0	-108.73	327.11	4.58	-104.15
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000414938	1	37	-2.0	-103.28	324.65	4.46	-98.82
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414939	0	28	-2.0	-98.39	288.82	2.22	-96.17
COC1=CC(S(=O)(=O)[N-]C2=C(C)NN=C2C(F)F)=CC(C(=O)[O-])=C1OC	REAL300000414940	0	39	-2.0	-103.97	354.92	3.02	-100.95
COC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)NN=C2C)=CC(C(=O)[O-])=C1OC	REAL300000414940	1	39	-2.0	-109.11	357.11	2.75	-106.36
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)NN=C2C(F)F)C=C1C(=O)[O-]	REAL300000414941	0	35	-2.0	-113.23	324.46	3.26	-109.97
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)NN=C2C)C=C1C(=O)[O-]	REAL300000414941	1	35	-2.0	-114.98	326.12	3.19	-111.79
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(C(F)F)=NN1	REAL300000414942	0	41	-2.0	-111.52	352.32	5.82	-105.70
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000414942	1	41	-2.0	-105.99	346.48	5.70	-100.29
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C(F)F)=NN1	REAL300000414943	0	40	-2.0	-109.52	350.69	5.21	-104.31
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000414943	1	40	-2.0	-103.98	341.63	4.95	-99.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)NN=C1C(F)F	REAL300000414944	0	37	-2.0	-105.55	327.33	4.92	-100.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)NN=C1C	REAL300000414944	1	37	-2.0	-100.23	323.01	4.88	-95.35
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)NN=C1C(F)F	REAL300000414945	0	38	-2.0	-110.55	349.58	3.63	-106.92
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)NN=C1C	REAL300000414945	1	38	-2.0	-111.74	348.95	3.69	-108.05
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414946	0	33	-3.0	-179.06	325.61	3.70	-175.36
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000414946	1	33	-3.0	-183.83	327.06	3.65	-180.18
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C(F)F)=NN1	REAL300000414947	0	38	-2.0	-110.90	341.32	5.04	-105.86
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000414947	1	38	-2.0	-109.95	340.35	5.02	-104.93
CC1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414948	0	31	-2.0	-100.03	299.92	2.28	-97.75
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000414948	1	31	-2.0	-96.08	299.89	2.29	-93.79
CC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414949	0	37	-2.0	-109.96	340.52	2.90	-107.06
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000414949	1	37	-2.0	-109.68	338.42	2.96	-106.72
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(F)F)=NN1	REAL300000414950	0	35	-2.0	-103.41	326.09	2.25	-101.16
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000414950	1	35	-2.0	-103.98	325.99	2.08	-101.90
CC1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C(C(F)F)=NN1	REAL300000414951	0	39	-2.0	-89.78	350.71	3.77	-86.01
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000414951	1	39	-2.0	-94.42	351.79	3.70	-90.72
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(C(F)F)=NN1	REAL300000414952	0	31	-2.0	-100.61	316.65	3.68	-96.93
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C(C(F)F)=NN1	REAL300000414953	0	35	-2.0	-89.23	344.17	3.97	-85.26
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000414953	1	35	-2.0	-92.54	345.26	3.91	-88.63
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(C(F)F)=NN1	REAL300000414954	0	38	-2.0	-91.05	348.33	4.17	-86.88
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000414954	1	38	-2.0	-94.08	349.99	4.11	-89.97
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(F)F)=NN1	REAL300000414955	0	34	-2.0	-98.79	317.78	4.01	-94.78
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000414955	1	34	-2.0	-96.91	317.62	3.99	-92.92
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C(F)F)=NN1	REAL300000414956	0	35	-2.0	-90.45	334.37	3.49	-86.96
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000414956	1	35	-2.0	-93.64	335.45	3.43	-90.21
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)NN=C2C(F)F)C=C1C(=O)[O-]	REAL300000414957	0	38	-2.0	-113.16	346.34	4.11	-109.05
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)NN=C2C)C=C1C(=O)[O-]	REAL300000414957	1	38	-2.0	-115.54	347.29	4.07	-111.47
CC1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414958	0	31	-2.0	-104.30	306.85	3.08	-101.22
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000414958	1	31	-2.0	-99.53	302.30	2.98	-96.55
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(F)F)=NN1	REAL300000414959	0	31	-2.0	-92.29	312.11	3.66	-88.63
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(F)F)=NN1	REAL300000414960	0	31	-2.0	-92.36	301.59	3.18	-89.18
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000414960	1	31	-2.0	-95.37	303.38	3.16	-92.21
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(F)F)=NN1	REAL300000414961	0	28	-2.0	-96.02	291.41	2.23	-93.79
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000414961	1	28	-2.0	-98.03	290.79	2.25	-95.78
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414962	0	31	-2.0	-92.54	303.36	3.26	-89.28
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000414962	1	31	-2.0	-99.67	305.19	3.00	-96.67
CC1=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414963	0	34	-2.0	-104.44	322.94	3.88	-100.56
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000414963	1	34	-2.0	-99.26	322.64	3.85	-95.41
COC1=CC(S(=O)(=O)[N-]C2=C(C)NN=C2C(F)F)=C(Cl)C=C1C(=O)[O-]	REAL300000414964	0	35	-2.0	-96.83	338.60	3.76	-93.07
COC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)NN=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000414964	1	35	-2.0	-98.26	336.84	3.68	-94.58
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(F)F)=NN1	REAL300000414965	0	31	-2.0	-93.59	304.60	3.17	-90.42
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000414965	1	31	-2.0	-94.76	303.50	3.20	-91.56
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(F)F)=NN1	REAL300000414966	0	31	-2.0	-90.27	309.68	3.58	-86.69
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000414966	1	31	-2.0	-93.40	311.34	3.52	-89.88
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C(F)F)=NN1	REAL300000414967	0	34	-2.0	-100.48	326.52	4.40	-96.08
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000414967	1	34	-2.0	-98.58	326.36	4.36	-94.22
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(C(F)F)=NN1	REAL300000414968	0	39	-2.0	-90.28	362.89	4.51	-85.77
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000414968	1	39	-2.0	-87.76	360.80	4.59	-83.17
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414969	0	31	-2.0	-93.02	307.41	3.30	-89.72
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000414969	1	31	-2.0	-96.75	309.48	3.18	-93.57
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414970	0	33	-2.0	-87.30	325.15	3.86	-83.44
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000414970	1	33	-2.0	-93.58	326.98	3.61	-89.97
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(F)F)=NN1	REAL300000414971	0	31	-3.0	-200.56	304.44	1.69	-198.87
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(F)F)=NN1	REAL300000414972	0	34	-2.0	-97.23	320.52	3.91	-93.32
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000414972	1	34	-2.0	-94.77	318.88	3.97	-90.80
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414973	0	31	-2.0	-94.30	317.29	3.73	-90.57
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000414973	1	31	-2.0	-98.14	319.36	3.62	-94.52
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(F)F)=NN1	REAL300000414974	0	34	-2.0	-101.63	308.04	3.77	-97.86
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000414974	1	34	-2.0	-103.30	307.98	3.77	-99.53
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)C(C(F)F)=NN1	REAL300000414975	0	34	-2.0	-101.21	322.01	3.84	-97.37
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000414975	1	34	-2.0	-105.87	323.67	3.77	-102.10
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C(F)F)=NN1	REAL300000414976	0	34	-2.0	-95.45	314.47	3.87	-91.58
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000414976	1	34	-2.0	-96.14	313.87	3.91	-92.23
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)C(C(F)F)=NN1	REAL300000414977	0	37	-2.0	-111.06	333.88	4.42	-106.64
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000414977	1	37	-2.0	-111.87	330.88	4.18	-107.69
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414978	0	33	-2.0	-100.71	323.80	4.26	-96.45
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(F)F)=NN1	REAL300000414979	0	31	-2.0	-94.66	308.92	3.32	-91.34
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000414979	1	31	-2.0	-90.69	309.11	3.11	-87.58
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C(F)F)=NN1	REAL300000414980	0	37	-2.0	-106.23	332.45	4.51	-101.72
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000414980	1	37	-2.0	-107.78	332.30	4.52	-103.26
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414981	0	34	-2.0	-106.48	323.46	3.83	-102.65
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000414981	1	34	-2.0	-104.93	320.33	3.72	-101.21
CC1=C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414982	0	34	-2.0	-104.02	328.83	4.32	-99.70
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=C(Cl)C(C)=CC(C(=O)[O-])=C1	REAL300000414982	1	34	-2.0	-98.56	328.64	4.28	-94.28
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C(F)F)=NN1	REAL300000414983	0	34	-2.0	-106.29	322.20	3.88	-102.41
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000414983	1	34	-2.0	-107.88	322.37	3.67	-104.21
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)NN=C2C(F)F)C=C1C(=O)[O-]	REAL300000414984	0	37	-2.0	-104.48	333.45	4.15	-100.33
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)NN=C2C)C=C1C(=O)[O-]	REAL300000414984	1	37	-2.0	-108.30	332.77	4.32	-103.98
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)NN=C2C(F)F)C=C1CC(=O)[O-]	REAL300000414985	0	38	-2.0	-107.85	347.67	3.27	-104.58
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)NN=C2C)C=C1CC(=O)[O-]	REAL300000414985	1	38	-2.0	-111.00	349.31	3.25	-107.75
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C(F)F)=NN1	REAL300000414986	0	34	-2.0	-92.67	322.40	4.41	-88.26
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000414986	1	34	-2.0	-93.15	327.42	4.39	-88.76
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(C(F)F)=NN1	REAL300000414987	0	34	-2.0	-89.40	327.32	3.95	-85.45
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000414987	1	34	-2.0	-92.34	328.97	3.93	-88.41
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)C(C(F)F)=NN1	REAL300000414988	0	34	-2.0	-99.83	328.40	4.16	-95.67
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C(C)=C1	REAL300000414988	1	34	-2.0	-104.51	330.06	4.08	-100.43
CCN1C=C(S(=O)(=O)[N-]C2=C(C)NN=C2C(F)F)C=C1C(=O)[O-]	REAL300000414989	0	35	-2.0	-108.41	327.11	3.31	-105.10
CCN1C=C(S(=O)(=O)[N-]C2=C(C(F)F)NN=C2C)C=C1C(=O)[O-]	REAL300000414989	1	35	-2.0	-101.65	325.02	3.39	-98.26
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C(C(F)F)=NN1	REAL300000414990	0	43	-2.0	-103.99	359.16	6.02	-97.97
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000414990	1	43	-2.0	-106.80	362.93	6.00	-100.80
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414991	0	34	-2.0	-95.59	326.03	4.19	-91.40
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000414991	1	34	-2.0	-101.84	332.63	4.16	-97.68
CC1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414992	0	40	-2.0	-104.17	343.51	5.25	-98.92
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000414992	1	40	-2.0	-97.84	338.11	5.07	-92.77
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)NN=C2C(F)F)C=C1C(=O)[O-]	REAL300000414993	0	35	-2.0	-108.84	338.61	3.77	-105.07
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C(F)F)NN=C2C)C=C1C(=O)[O-]	REAL300000414993	1	35	-2.0	-107.82	336.87	3.68	-104.14
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C(F)F)=NN1	REAL300000414994	0	34	-2.0	-92.36	312.62	3.70	-88.66
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000414994	1	34	-2.0	-97.64	317.96	3.78	-93.86
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(C(F)F)=NN1	REAL300000414995	0	36	-2.0	-93.82	339.25	5.29	-88.53
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000414995	1	36	-2.0	-93.23	339.21	5.32	-87.91
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C(F)F)=NN1	REAL300000414996	0	34	-2.0	-106.33	318.30	3.90	-102.43
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000414996	1	34	-2.0	-104.19	317.91	3.97	-100.22
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C(F)F)=NN1	REAL300000414997	0	33	-2.0	-107.38	320.86	5.00	-102.38
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000414997	1	33	-2.0	-107.35	320.69	5.00	-102.35
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(F)F)=NN1	REAL300000414998	0	31	-2.0	-108.65	302.81	3.13	-105.52
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000414998	1	31	-2.0	-110.65	302.50	3.15	-107.50
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000414999	0	34	-2.0	-94.11	317.34	3.80	-90.31
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000414999	1	34	-2.0	-100.28	323.87	3.76	-96.52
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000415000	0	37	-2.0	-112.37	339.68	5.24	-107.13
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000415000	1	37	-2.0	-109.00	337.19	5.31	-103.69
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(F)F)=NN1	REAL300000415001	0	30	-2.0	-100.73	293.39	1.31	-99.42
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000415001	1	30	-2.0	-101.19	294.04	1.24	-99.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)NN=C1C(F)F	REAL300000415002	0	35	-2.0	-98.59	327.35	2.87	-95.72
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(F)F)NN=C1C	REAL300000415002	1	35	-2.0	-99.48	326.24	2.88	-96.60
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(F)F)=NN1	REAL300000415003	0	28	-2.0	-93.71	297.06	2.11	-91.60
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000415003	1	28	-2.0	-90.66	297.03	2.13	-88.53
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(F)F)=NN1	REAL300000415004	0	38	-2.0	-99.29	344.48	5.02	-94.27
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000415004	1	38	-2.0	-96.83	342.84	5.07	-91.76
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(F)F)=NN1	REAL300000415005	0	38	-2.0	-103.20	343.25	4.95	-98.25
CC1=NNC(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000415005	1	38	-2.0	-98.97	341.16	5.03	-93.94
CCC1=C(S(=O)(=O)[N-]C2=C(C)NN=C2C(F)F)C=C(C(=O)[O-])O1	REAL300000415006	0	34	-2.0	-101.74	320.46	3.07	-98.67
CCC1=C(S(=O)(=O)[N-]C2=C(C(F)F)NN=C2C)C=C(C(=O)[O-])O1	REAL300000415006	1	34	-2.0	-102.68	320.79	3.08	-99.60
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415007	0	38	-2.0	-121.59	352.08	7.58	-114.01
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1C1=CC=CC=C1	REAL300000415008	0	38	-2.0	-110.60	347.53	7.56	-103.04
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415009	0	38	-2.0	-124.08	347.55	7.55	-116.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C(C)=C1	REAL300000415010	0	42	-2.0	-130.51	375.68	7.37	-123.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1C1=CC=CC=C1	REAL300000415011	0	42	-2.0	-109.83	380.43	8.88	-100.95
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415012	0	41	-2.0	-126.13	363.56	8.09	-118.04
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NN1C1=CC=CC=C1	REAL300000415013	0	38	-2.0	-119.87	360.62	8.12	-111.75
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415014	0	38	-2.0	-120.20	360.05	7.95	-112.25
CC1=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415015	0	44	-2.0	-127.14	380.65	8.88	-118.26
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1C1=CC=CC=C1	REAL300000415016	0	38	-2.0	-121.96	353.02	7.62	-114.34
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1C1=CC=CC=C1	REAL300000415017	0	44	-2.0	-109.37	392.54	9.18	-100.19
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1C1=CC=CC=C1	REAL300000415018	0	35	-2.0	-117.76	340.73	6.58	-111.18
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1C1=CC=CC=C1	REAL300000415019	0	41	-2.0	-125.25	362.98	8.34	-116.91
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NN1C1=CC=CC=C1	REAL300000415020	0	42	-2.0	-108.49	380.04	7.87	-100.62
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415021	0	39	-2.0	-122.22	354.19	6.91	-115.31
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NN1C1=CC=CC=C1	REAL300000415022	0	42	-2.0	-125.44	371.75	6.37	-119.07
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1C1=CC=CC=C1	REAL300000415023	0	38	-2.0	-113.93	356.66	7.24	-106.69
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415024	0	44	-2.0	-126.69	378.99	8.86	-117.83
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415025	0	35	-2.0	-119.90	339.19	6.58	-113.32
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C(C)=C2)C=C1C(=O)[O-]	REAL300000415026	0	42	-2.0	-129.90	374.83	7.62	-122.28
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=NN1C1=CC=CC=C1	REAL300000415027	0	47	-2.0	-127.84	401.44	9.56	-118.28
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C(C)=C1	REAL300000415028	0	44	-2.0	-123.44	377.69	9.28	-114.16
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=NN1C1=CC=CC=C1	REAL300000415029	0	45	-2.0	-129.85	391.79	9.44	-120.41
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415030	0	38	-2.0	-117.14	350.55	6.70	-110.44
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=NN1C1=CC=CC=C1	REAL300000415031	0	42	-2.0	-125.66	376.53	6.65	-119.01
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NN1C1=CC=CC=C1	REAL300000415032	0	41	-2.0	-115.04	368.25	8.37	-106.67
CC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415033	0	38	-2.0	-121.18	356.17	7.45	-113.73
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NN1C1=CC=CC=C1	REAL300000415034	0	38	-2.0	-108.00	360.59	8.11	-99.89
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1C1=CC=CC=C1	REAL300000415035	0	38	-2.0	-109.58	352.08	7.59	-101.99
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1C1=CC=CC=C1	REAL300000415036	0	35	-2.0	-112.58	339.80	6.68	-105.90
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415037	0	38	-2.0	-114.87	353.95	7.62	-107.25
CC1=CC([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415038	0	41	-2.0	-123.45	373.30	8.26	-115.19
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1C1=CC=CC=C1	REAL300000415039	0	38	-2.0	-110.33	353.01	7.63	-102.70
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1C1=CC=CC=C1	REAL300000415040	0	38	-2.0	-108.00	360.05	7.96	-100.04
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415041	0	38	-2.0	-111.86	358.36	7.65	-104.21
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1C1=CC=CC=C1	REAL300000415042	0	39	-2.0	-124.34	357.26	5.28	-119.06
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1C1=CC=CC=C1	REAL300000415043	0	41	-2.0	-114.63	371.14	8.37	-106.26
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1C1=CC=CC=C1	REAL300000415044	0	41	-2.0	-120.25	357.61	8.18	-112.07
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)=NN1C1=CC=CC=C1	REAL300000415045	0	41	-2.0	-122.28	372.37	8.21	-114.07
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1C1=CC=CC=C1	REAL300000415046	0	41	-2.0	-110.70	362.95	8.33	-102.37
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=NN1C1=CC=CC=C1	REAL300000415047	0	44	-2.0	-129.57	384.34	8.72	-120.85
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NN1C1=CC=CC=C1	REAL300000415048	0	38	-2.0	-112.97	359.28	7.68	-105.29
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1C1=CC=CC=C1	REAL300000415049	0	44	-2.0	-124.36	382.01	8.93	-115.43
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415050	0	41	-2.0	-123.28	369.01	8.15	-115.13
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=NN1C1=CC=CC=C1	REAL300000415051	0	41	-2.0	-129.54	372.58	8.25	-121.29
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C(C)=C2)C=C1C(=O)[O-]	REAL300000415052	0	44	-2.0	-126.97	381.83	8.74	-118.23
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C(C)=C2)C=C1C(=O)[O-]	REAL300000415053	0	42	-2.0	-123.62	375.56	7.78	-115.84
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1C1=CC=CC=C1	REAL300000415054	0	41	-2.0	-112.44	367.59	8.20	-104.24
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NN1C1=CC=CC=C1	REAL300000415055	0	41	-2.0	-121.94	367.50	8.37	-113.57
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1C1=CC=CC=C1	REAL300000415056	0	38	-2.0	-128.71	351.20	7.59	-121.12
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415057	0	41	-2.0	-115.31	368.70	8.13	-107.18
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1C1=CC=CC=C1	REAL300000415058	0	37	-2.0	-121.89	343.76	5.68	-116.21
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C(C)=C1	REAL300000415059	0	42	-2.0	-115.46	375.74	7.36	-108.10
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1	REAL300000415060	0	35	-2.0	-110.76	347.69	6.53	-104.23
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=NN1C1=CC=CC=C1	REAL300000415061	0	45	-2.0	-117.77	395.10	9.48	-108.29
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=NN1C1=CC=CC=C1	REAL300000415062	0	45	-2.0	-121.23	392.98	9.44	-111.79
CCC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000415063	0	41	-2.0	-117.09	369.66	7.55	-109.54
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000415066	0	40	-2.0	-136.58	350.45	6.07	-130.51
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000415067	1	39	-2.0	-117.88	353.81	4.43	-113.45
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000415070	0	40	-2.0	-125.54	364.19	6.38	-119.16
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415071	0	41	-2.0	-136.41	360.06	6.09	-130.32
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415072	0	43	-2.0	-122.95	358.16	3.63	-119.32
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=C1	REAL300000415073	0	43	-2.0	-102.54	368.62	6.30	-96.24
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415075	0	42	-2.0	-118.12	355.04	4.75	-113.37
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415076	0	43	-2.0	-118.49	368.68	6.29	-112.20
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000415088	0	37	-2.0	-120.05	350.93	5.41	-114.64
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415090	0	44	-2.0	-135.85	370.20	5.59	-130.26
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000415091	1	40	-2.0	-129.02	355.09	6.36	-122.66
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000415092	1	42	-2.0	-124.69	370.17	6.47	-118.22
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000415093	0	37	-2.0	-126.38	333.89	4.80	-121.58
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000415095	0	42	-2.0	-141.48	363.05	7.21	-134.27
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000415098	0	40	-2.0	-124.59	353.86	5.93	-118.66
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000415100	1	40	-2.0	-118.26	354.77	5.93	-112.33
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000415103	1	42	-2.0	-114.87	369.22	6.40	-108.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])S1	REAL300000415105	0	40	-2.0	-128.06	355.77	5.59	-122.47
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000415106	0	40	-2.0	-127.37	353.85	5.93	-121.44
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415108	0	39	-3.0	-198.51	363.59	5.38	-193.13
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415110	0	46	-2.0	-127.24	378.66	4.83	-122.41
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000415115	0	40	-2.0	-134.24	347.43	5.86	-128.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C(Cl)=C1	REAL300000415116	1	43	-2.0	-129.11	376.50	7.03	-122.08
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000415118	1	40	-2.0	-119.99	361.48	6.43	-113.56
CN1C=C(S(=O)(=O)NC2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000415119	0	44	-2.0	-116.17	376.91	5.71	-110.46
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000415119	1	43	-3.0	-203.98	377.05	5.70	-198.28
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1Cl	REAL300000415120	0	40	-2.0	-135.48	359.42	5.36	-130.12
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=C1C(N)=O	REAL300000415121	1	45	-2.0	-125.98	384.21	1.95	-124.03
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=N1	REAL300000415124	0	40	-2.0	-124.59	346.50	3.51	-121.08
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000415128	0	40	-2.0	-130.96	363.61	6.36	-124.60
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415131	0	43	-2.0	-134.78	368.86	6.52	-128.26
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3CCCC3)C=C2C(=O)[O-])=CS1	REAL300000415133	0	40	-2.0	-100.74	361.60	5.38	-95.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=CS1	REAL300000415133	1	39	-3.0	-200.36	362.06	5.40	-194.96
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000415136	0	37	-2.0	-121.17	323.54	2.20	-118.97
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000415137	0	42	-3.0	-193.34	373.42	5.50	-187.84
CC1=C(S(=O)(=O)NC2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000415137	1	43	-2.0	-98.14	370.81	5.05	-93.09
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000415138	0	43	-2.0	-150.32	370.14	4.99	-145.33
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000415139	0	39	-2.0	-118.25	343.35	4.07	-114.18
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300000415140	1	45	-2.0	-130.45	378.11	6.23	-124.22
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415141	0	40	-2.0	-136.61	345.96	4.89	-131.72
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=N1	REAL300000415142	1	40	-2.0	-115.29	357.89	4.32	-110.97
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000415143	0	40	-2.0	-132.38	353.72	5.92	-126.46
CC1=NC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=CN1C	REAL300000415144	0	43	-2.0	-142.25	364.70	4.61	-137.64
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=N1	REAL300000415145	0	43	-2.0	-124.95	368.04	4.36	-120.59
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000415148	0	40	-2.0	-122.67	361.48	6.43	-116.24
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415150	0	40	-2.0	-122.43	342.34	2.84	-119.59
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=N1	REAL300000415154	0	40	-2.0	-134.83	346.79	3.33	-131.50
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415155	0	40	-2.0	-119.93	342.20	3.43	-116.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C(F)=C1	REAL300000415161	0	43	-2.0	-134.21	368.87	6.53	-127.68
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000415163	0	37	-2.0	-133.99	323.25	3.19	-130.80
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])O1	REAL300000415164	0	43	-2.0	-122.01	381.50	4.59	-117.42
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000415165	0	45	-2.0	-146.91	381.89	6.42	-140.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=CN=C1Cl	REAL300000415166	1	42	-2.0	-119.22	372.60	5.01	-114.21
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])SC=C1	REAL300000415168	0	40	-2.0	-127.97	350.18	5.62	-122.35
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1C	REAL300000415169	0	49	-2.0	-127.51	400.46	5.70	-121.81
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C(F)=C1	REAL300000415175	0	41	-2.0	-123.20	368.25	6.25	-116.95
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=N1	REAL300000415176	0	46	-2.0	-125.83	386.71	4.89	-120.94
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=CN1	REAL300000415179	0	46	-2.0	-135.62	385.76	4.24	-131.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])S1	REAL300000415184	0	39	-3.0	-192.07	362.67	5.48	-186.59
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415185	0	49	-2.0	-136.00	406.49	6.77	-129.23
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=CN1	REAL300000415186	1	44	-2.0	-127.80	385.35	4.14	-123.66
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])S1	REAL300000415188	0	42	-2.0	-125.39	367.18	4.37	-121.02
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C(F)C=C1F	REAL300000415193	0	43	-2.0	-125.21	374.14	6.56	-118.65
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000415194	1	46	-2.0	-138.93	382.99	8.11	-130.82
COC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])SC=C1	REAL300000415196	0	41	-2.0	-134.50	364.12	4.07	-130.43
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000415197	0	43	-2.0	-132.40	371.72	6.19	-126.21
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415198	0	40	-2.0	-117.27	356.92	4.74	-112.53
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])N=C1Cl	REAL300000415199	0	40	-2.0	-131.17	362.14	4.63	-126.54
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000415200	0	41	-2.0	-134.70	357.80	4.53	-130.17
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415201	0	41	-2.0	-117.15	364.17	3.63	-113.52
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])S1	REAL300000415202	0	39	-2.0	-124.15	350.48	3.62	-120.53
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=C1F	REAL300000415204	0	43	-2.0	-127.66	374.14	6.57	-121.09
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415206	0	46	-2.0	-136.45	387.39	6.18	-130.27
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=N1	REAL300000415207	0	47	-2.0	-123.00	401.71	3.41	-119.59
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1C#N	REAL300000415209	0	44	-2.0	-138.19	379.21	6.60	-131.59
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415210	0	46	-2.0	-135.84	389.27	6.55	-129.29
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1F	REAL300000415211	0	43	-2.0	-135.79	367.76	6.51	-129.28
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000415213	0	47	-2.0	-140.23	387.74	5.83	-134.40
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415215	0	45	-2.0	-128.04	381.22	2.78	-125.26
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1Cl	REAL300000415216	1	43	-2.0	-130.38	373.81	6.95	-123.43
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C(C)O1	REAL300000415218	0	43	-2.0	-125.26	364.90	5.37	-119.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])O1	REAL300000415220	0	40	-2.0	-128.42	346.55	4.61	-123.81
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415221	0	43	-2.0	-129.54	375.61	6.21	-123.33
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000415223	1	40	-2.0	-118.68	365.10	6.38	-112.30
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000415224	0	39	-2.0	-118.58	353.70	4.49	-114.09
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])N=C1C	REAL300000415225	0	46	-2.0	-139.28	387.56	5.58	-133.70
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415226	1	43	-2.0	-129.69	376.49	7.03	-122.66
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415227	0	43	-2.0	-126.27	381.84	4.54	-121.73
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000415228	0	40	-2.0	-132.61	358.01	6.59	-126.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C(Cl)=N1	REAL300000415229	0	42	-2.0	-127.57	371.86	5.12	-122.45
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])S1	REAL300000415230	0	42	-2.0	-123.82	371.96	4.38	-119.44
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000415231	0	43	-2.0	-139.25	369.88	6.11	-133.14
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415236	1	44	-2.0	-134.46	378.04	6.86	-127.60
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000415239	0	39	-2.0	-134.88	354.65	6.20	-128.68
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000415240	0	37	-2.0	-126.65	324.63	3.79	-122.86
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415241	0	39	-2.0	-114.18	336.42	2.21	-111.97
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000415242	0	39	-2.0	-117.00	363.11	5.56	-111.44
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000415243	0	44	-2.0	-131.13	369.93	5.23	-125.90
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415246	0	43	-2.0	-133.14	361.54	6.78	-126.36
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415248	0	43	-2.0	-125.12	366.52	3.26	-121.86
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C(N)=NO1	REAL300000415254	0	41	-2.0	-117.80	349.49	3.17	-114.63
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])S1	REAL300000415257	0	38	-2.0	-116.91	354.46	5.35	-111.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=N1	REAL300000415258	1	42	-2.0	-125.71	358.55	4.62	-121.09
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000415259	1	45	-2.0	-129.58	383.13	6.16	-123.42
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000415261	0	39	-2.0	-112.34	359.68	4.48	-107.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C(F)=C1	REAL300000415263	0	44	-2.0	-131.30	376.94	5.16	-126.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])N(C)N=C1	REAL300000415266	0	43	-2.0	-121.10	358.82	4.26	-116.84
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])O1	REAL300000415267	0	38	-2.0	-118.44	345.88	4.33	-114.11
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000415268	1	37	-2.0	-124.20	333.06	4.70	-119.50
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000415269	0	37	-2.0	-124.50	324.49	3.68	-120.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=N1	REAL300000415270	1	43	-2.0	-121.08	369.13	2.49	-118.59
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000415271	0	40	-2.0	-127.60	364.18	6.38	-121.22
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000415273	0	43	-2.0	-133.16	368.56	4.42	-128.74
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000415276	0	37	-2.0	-123.56	349.93	5.24	-118.32
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415277	0	40	-2.0	-126.96	355.52	5.46	-121.50
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000415278	0	37	-2.0	-122.47	340.24	2.61	-119.86
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000415279	0	39	-2.0	-123.06	348.88	3.91	-119.15
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415280	0	39	-2.0	-120.11	350.44	4.09	-116.02
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000415284	0	37	-2.0	-125.45	340.24	4.83	-120.62
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=C1F	REAL300000415285	1	41	-2.0	-115.69	368.65	6.23	-109.46
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000415288	0	37	-2.0	-128.51	323.57	2.37	-126.14
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000415289	0	45	-2.0	-133.30	378.95	2.71	-130.59
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])S1	REAL300000415290	0	43	-2.0	-129.71	372.06	6.42	-123.29
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000415291	0	41	-2.0	-115.67	365.33	4.65	-111.02
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415292	1	42	-2.0	-117.81	369.51	5.18	-112.63
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=NN1C	REAL300000415296	0	43	-2.0	-123.89	362.62	4.03	-119.86
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415298	0	43	-2.0	-126.11	365.34	4.16	-121.95
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415299	0	40	-2.0	-116.71	357.80	4.40	-112.31
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415304	1	43	-2.0	-129.29	369.11	7.30	-121.99
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000415305	0	45	-2.0	-140.43	378.27	5.61	-134.82
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C(F)=C1	REAL300000415309	0	43	-2.0	-135.92	371.86	6.75	-129.17
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415311	0	44	-2.0	-130.50	376.61	5.65	-124.85
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415312	0	39	-2.0	-117.24	338.90	3.75	-113.49
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000415315	0	39	-2.0	-131.85	342.46	3.98	-127.87
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000415318	1	39	-2.0	-116.68	343.36	3.95	-112.73
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=CS1	REAL300000415320	0	38	-2.0	-131.13	352.34	5.20	-125.93
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])N1C	REAL300000415330	0	43	-2.0	-126.10	361.31	4.77	-121.33
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000415332	0	43	-2.0	-125.32	381.70	5.30	-120.02
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000415333	0	39	-2.0	-124.00	359.33	4.40	-119.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C(F)=C1F	REAL300000415334	0	43	-2.0	-132.86	374.03	6.57	-126.29
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])OC=C1	REAL300000415335	0	43	-2.0	-135.59	374.08	5.25	-130.34
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=N1	REAL300000415336	0	42	-2.0	-140.38	369.02	4.77	-135.61
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415337	0	41	-3.0	-204.50	366.63	4.48	-200.02
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415338	0	44	-2.0	-122.74	370.82	5.78	-116.96
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415339	1	41	-2.0	-117.11	369.20	6.26	-110.85
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000415340	0	42	-2.0	-140.33	365.12	4.98	-135.35
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300000415341	1	44	-2.0	-138.06	375.69	5.76	-132.30
O=C([O-])C1=CC(N2CCCC2)=CC=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000415343	0	41	-2.0	-107.21	351.97	4.42	-102.79
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000415343	1	41	-2.0	-121.48	358.14	3.55	-117.93
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415344	0	43	-2.0	-141.66	372.96	3.45	-138.21
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415345	0	46	-2.0	-123.26	381.06	4.85	-118.41
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=N1	REAL300000415346	0	40	-2.0	-119.73	347.15	3.16	-116.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C(C#N)=C1	REAL300000415347	1	44	-2.0	-135.62	381.46	6.75	-128.87
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415348	1	44	-2.0	-134.24	373.70	7.01	-127.23
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415350	0	40	-2.0	-117.13	361.19	1.59	-115.54
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000415352	0	36	-2.0	-119.30	328.70	3.50	-115.80
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000415354	0	44	-2.0	-123.11	381.45	1.40	-121.71
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000415357	1	45	-2.0	-139.43	378.19	6.30	-133.13
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1F	REAL300000415358	0	41	-2.0	-131.26	367.75	6.21	-125.05
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])N=N1	REAL300000415359	0	39	-2.0	-129.47	340.74	2.11	-127.36
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000415360	0	47	-2.0	-126.38	391.85	5.48	-120.90
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000415361	0	47	-2.0	-123.87	389.25	5.69	-118.18
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000415362	0	47	-2.0	-129.49	384.86	5.86	-123.63
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415363	1	43	-2.0	-124.46	364.89	6.51	-117.95
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000415364	0	37	-2.0	-124.25	347.38	5.23	-119.02
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415365	0	42	-2.0	-114.87	357.19	3.13	-111.74
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415368	0	47	-2.0	-122.54	393.89	5.52	-117.02
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C21	REAL300000415369	0	43	-2.0	-132.25	371.72	6.07	-126.18
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000415370	0	47	-2.0	-128.91	397.21	5.72	-123.19
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(N4CCCC4)C=C3C(=O)[O-])=C21	REAL300000415371	1	47	-2.0	-128.35	382.38	7.81	-120.54
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415373	0	40	-2.0	-125.32	359.25	1.66	-123.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])N=CN1	REAL300000415374	0	40	-2.0	-135.81	341.06	3.90	-131.91
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000415376	0	37	-2.0	-123.69	347.76	5.33	-118.36
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000415377	0	44	-2.0	-132.83	378.69	6.99	-125.84
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415379	0	41	-2.0	-129.33	366.46	6.15	-123.18
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415380	0	47	-2.0	-126.88	387.67	5.33	-121.55
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415383	0	49	-2.0	-120.25	389.08	5.72	-114.53
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=N1	REAL300000415384	0	49	-2.0	-126.87	406.45	5.51	-121.36
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000415385	0	47	-2.0	-126.90	390.54	4.88	-122.02
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415387	0	43	-2.0	-121.34	364.12	4.01	-117.33
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000415390	1	43	-2.0	-135.60	361.71	7.07	-128.53
COC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=CS1	REAL300000415392	0	41	-2.0	-131.65	364.22	4.24	-127.41
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415393	0	49	-2.0	-123.24	401.89	5.69	-117.55
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])O1	REAL300000415395	0	43	-2.0	-128.43	368.04	5.39	-123.04
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])S1	REAL300000415396	0	41	-2.0	-124.62	365.73	4.24	-120.38
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000415397	0	43	-2.0	-121.92	374.63	4.50	-117.42
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000415398	1	43	-2.0	-131.74	363.65	6.72	-125.02
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000415399	0	43	-2.0	-132.62	367.45	6.19	-126.43
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=N1	REAL300000415400	0	42	-2.0	-125.56	362.66	2.66	-122.90
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1Cl	REAL300000415401	0	43	-2.0	-121.30	383.62	4.71	-116.59
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000415402	0	37	-2.0	-121.25	341.70	4.41	-116.84
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000415404	0	44	-2.0	-128.84	385.77	7.11	-121.73
CC1=COC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415405	0	40	-2.0	-127.46	346.54	4.46	-123.00
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000415406	1	39	-2.0	-111.84	359.58	4.44	-107.40
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1Cl	REAL300000415408	0	40	-2.0	-120.74	361.81	3.84	-116.90
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])OC=C1	REAL300000415409	0	38	-2.0	-124.51	346.11	4.24	-120.27
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415410	1	42	-2.0	-116.21	369.71	5.18	-111.03
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000415413	0	37	-2.0	-123.03	340.72	4.30	-118.73
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000415414	0	37	-2.0	-120.90	350.76	5.31	-115.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C(C)=N1	REAL300000415417	1	46	-2.0	-120.76	384.80	3.23	-117.53
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415418	0	46	-2.0	-133.31	389.36	3.62	-129.69
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=C1C	REAL300000415419	1	46	-2.0	-122.61	389.26	3.21	-119.40
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=N1	REAL300000415420	0	49	-2.0	-125.26	409.35	5.90	-119.36
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415421	0	49	-2.0	-127.10	405.56	5.54	-121.56
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=CO1	REAL300000415422	0	38	-2.0	-127.53	344.91	4.21	-123.32
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])SC=C1	REAL300000415423	0	38	-2.0	-122.91	354.01	5.13	-117.78
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCCC2)C=C1C(=O)[O-]	REAL300000415424	0	46	-2.0	-122.55	383.66	5.05	-117.50
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000415425	0	47	-2.0	-121.77	394.16	5.90	-115.87
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])C=NN1C(C)C	REAL300000415427	0	49	-2.0	-125.09	405.04	5.60	-119.49
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000415428	0	42	-2.0	-123.65	369.29	4.82	-118.83
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000415431	0	36	-2.0	-117.17	327.60	3.39	-113.78
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000415432	0	36	-2.0	-122.20	328.54	2.91	-119.29
O=C([O-])C1=CC(N2CCCC2)=CC=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000415433	0	47	-2.0	-127.53	387.68	5.12	-122.41
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCCC3)C=C2C(=O)[O-])=C1	REAL300000415434	0	43	-2.0	-134.78	368.86	6.52	-128.26
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000415435	0	41	-2.0	-88.34	371.36	2.63	-85.71
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000415436	0	34	-2.0	-104.24	319.43	4.07	-100.17
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000415437	0	42	-2.0	-105.50	374.52	5.13	-100.37
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000415438	0	34	-2.0	-101.71	331.32	4.75	-96.96
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000415439	0	34	-2.0	-94.41	314.88	4.05	-90.36
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000415440	0	34	-2.0	-106.54	314.90	4.04	-102.50
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000415441	0	38	-2.0	-112.01	343.04	3.85	-108.16
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000415442	0	34	-2.0	-102.17	331.14	4.53	-97.64
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000415443	0	38	-2.0	-94.17	346.35	5.34	-88.83
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000415444	0	37	-2.0	-107.67	330.92	4.58	-103.09
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000415445	0	34	-2.0	-102.37	327.97	4.62	-97.75
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000415446	0	34	-2.0	-102.55	327.41	4.44	-98.11
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000415447	0	34	-2.0	-98.05	340.47	4.99	-93.06
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000415448	0	40	-2.0	-109.37	348.01	5.37	-104.00
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000415449	0	34	-2.0	-103.78	320.38	4.11	-99.67
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000415450	0	40	-2.0	-93.45	358.47	5.62	-87.83
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000415451	0	31	-2.0	-100.89	308.09	3.06	-97.83
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000415452	0	37	-2.0	-107.63	330.33	4.83	-102.80
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000415453	0	38	-2.0	-92.89	345.97	4.33	-88.56
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000415454	0	45	-2.0	-89.59	391.74	5.09	-84.50
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000415455	0	31	-2.0	-97.94	325.11	3.83	-94.11
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000415456	0	35	-2.0	-105.12	321.55	3.39	-101.73
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000415457	0	38	-2.0	-108.09	338.68	2.87	-105.22
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000415458	0	34	-2.0	-97.06	324.04	3.72	-93.34
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000415459	0	40	-2.0	-109.95	350.35	5.47	-104.48
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000415460	0	31	-2.0	-102.35	306.55	3.08	-99.27
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000415461	0	42	-2.0	-107.09	373.23	3.85	-103.24
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000415462	0	38	-2.0	-112.52	342.18	4.11	-108.41
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000415463	0	44	-2.0	-111.16	370.13	6.67	-104.49
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000415464	0	43	-2.0	-109.66	368.80	6.05	-103.61
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000415465	0	40	-2.0	-105.71	342.15	5.68	-100.03
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000415466	0	41	-2.0	-112.46	365.33	4.61	-107.85
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000415467	0	36	-3.0	-180.76	343.30	4.61	-176.15
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000415468	0	41	-2.0	-111.68	359.15	5.94	-105.74
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000415469	0	34	-2.0	-100.67	317.90	3.18	-97.49
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000415470	0	40	-2.0	-111.45	357.06	3.82	-107.63
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000415471	0	38	-2.0	-107.44	343.82	3.15	-104.29
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000415472	0	42	-2.0	-93.44	367.82	4.64	-88.80
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000415473	0	34	-2.0	-96.38	342.57	4.89	-91.49
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000415474	0	34	-2.0	-99.23	332.50	4.63	-94.60
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000415475	0	38	-2.0	-91.48	362.00	4.87	-86.61
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000415476	0	41	-2.0	-93.32	366.05	5.03	-88.29
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000415477	0	44	-2.0	-92.37	394.64	5.30	-87.07
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000415478	0	37	-2.0	-98.22	335.61	4.86	-93.36
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000415479	0	47	-2.0	-93.52	408.49	5.97	-87.55
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000415480	0	38	-2.0	-92.43	352.19	4.39	-88.04
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2CC)C=C1C(=O)[O-]	REAL300000415481	0	41	-2.0	-113.20	364.03	5.02	-108.18
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000415482	0	34	-2.0	-104.15	323.53	3.95	-100.20
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000415483	0	34	-2.0	-96.17	343.13	5.05	-91.12
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000415484	0	34	-2.0	-92.01	327.95	4.61	-87.40
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000415485	0	34	-2.0	-91.54	331.30	4.74	-86.80
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000415486	0	34	-2.0	-93.97	319.44	4.08	-89.89
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000415487	0	31	-2.0	-95.95	307.16	3.16	-92.79
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000415488	0	34	-2.0	-97.57	321.31	4.11	-93.46
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000415489	0	37	-2.0	-105.12	340.65	4.75	-100.37
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000415490	0	38	-2.0	-96.67	355.21	4.66	-92.01
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000415491	0	34	-2.0	-93.73	320.37	4.12	-89.61
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000415492	0	34	-2.0	-91.99	327.41	4.45	-87.54
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000415493	0	37	-2.0	-99.85	344.34	5.25	-94.60
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000415494	0	42	-2.0	-91.04	378.63	5.46	-85.58
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000415495	0	34	-2.0	-91.57	331.14	4.54	-87.03
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000415496	0	34	-2.0	-95.93	325.72	4.14	-91.79
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000415497	0	36	-2.0	-91.80	343.09	4.71	-87.09
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000415498	0	35	-2.0	-106.34	324.62	1.75	-104.59
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000415499	0	37	-2.0	-97.96	337.07	4.82	-93.14
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000415500	0	34	-2.0	-97.29	335.61	4.58	-92.71
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000415501	0	37	-2.0	-102.59	324.94	4.67	-97.92
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000415502	0	37	-2.0	-105.55	339.73	4.70	-100.85
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000415503	0	37	-2.0	-94.56	330.31	4.82	-89.74
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000415504	0	40	-2.0	-109.64	347.78	5.11	-104.53
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000415505	0	36	-2.0	-105.10	341.46	5.14	-99.96
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000415506	0	34	-2.0	-95.49	326.64	4.17	-91.32
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000415507	0	31	-2.0	-93.60	327.48	3.72	-89.88
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000415508	0	40	-2.0	-106.95	348.43	5.45	-101.50
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000415509	0	37	-2.0	-105.99	340.21	4.74	-101.25
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000415510	0	37	-2.0	-104.07	346.68	5.18	-98.89
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000415511	0	37	-2.0	-111.15	339.95	4.74	-106.41
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000415512	0	40	-2.0	-108.43	349.14	5.23	-103.20
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000415513	0	41	-2.0	-108.96	365.36	4.18	-104.78
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000415514	0	37	-2.0	-95.98	341.16	5.22	-90.76
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000415515	0	37	-2.0	-91.03	345.02	4.85	-86.18
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000415516	0	37	-2.0	-104.28	346.12	5.00	-99.28
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000415517	0	34	-2.0	-99.45	336.19	4.66	-94.79
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000415518	0	38	-2.0	-106.29	342.92	4.26	-102.03
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000415519	0	46	-2.0	-106.68	380.05	6.90	-99.78
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000415520	0	34	-2.0	-94.35	340.51	4.60	-89.75
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000415521	0	38	-2.0	-93.49	359.60	4.34	-89.15
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000415522	0	37	-2.0	-100.01	344.76	5.01	-95.00
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000415523	0	43	-2.0	-103.70	362.69	6.12	-97.58
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000415524	0	38	-2.0	-107.98	355.23	4.67	-103.31
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000415525	0	37	-2.0	-94.46	330.91	4.59	-89.87
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000415526	0	39	-2.0	-98.59	358.15	6.25	-92.34
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000415527	0	37	-2.0	-105.15	334.85	4.86	-100.29
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000415528	0	36	-2.0	-113.04	338.64	5.91	-107.13
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000415529	0	34	-2.0	-110.42	318.54	4.07	-106.35
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000415530	0	37	-2.0	-98.33	336.06	4.62	-93.71
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000415531	0	40	-2.0	-114.73	355.94	6.16	-108.57
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000415532	0	33	-2.0	-103.73	311.89	2.10	-101.63
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000415533	0	38	-2.0	-98.50	343.11	3.84	-94.66
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000415534	0	31	-2.0	-94.61	315.00	3.02	-91.59
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000415535	0	38	-2.0	-102.08	358.68	4.59	-97.49
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000415536	0	37	-2.0	-97.72	358.23	1.08	-96.64
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000415537	0	41	-2.0	-100.98	361.02	5.92	-95.06
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000415538	0	41	-2.0	-103.42	358.99	5.90	-97.52
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000415539	0	37	-2.0	-100.50	337.03	4.03	-96.47
COC(=O)CCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000415540	1	41	-2.0	-97.75	382.77	7.72	-90.03
COC(=O)CCSC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000415541	1	41	-2.0	-110.37	382.80	7.71	-102.66
COC(=O)CCSC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000415542	0	42	-2.0	-108.79	389.44	7.07	-101.72
COC(=O)CCSC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000415543	0	41	-2.0	-104.07	385.80	6.85	-97.22
COC(=O)CCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000415544	0	40	-2.0	-108.07	379.01	5.84	-102.23
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=NN1CCC#N	REAL300000415548	0	42	-2.0	-97.57	392.03	4.18	-93.39
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415549	0	35	-2.0	-113.95	340.10	5.63	-108.32
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C(C)=C1	REAL300000415550	0	43	-2.0	-115.99	395.45	6.66	-109.33
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1CCC#N	REAL300000415551	0	35	-2.0	-104.26	334.70	5.57	-98.69
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415552	0	35	-2.0	-117.23	335.57	5.59	-111.64
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C(C)=C1	REAL300000415553	0	39	-2.0	-123.23	363.78	5.39	-117.84
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1CCC#N	REAL300000415554	0	39	-2.0	-103.68	367.02	6.89	-96.79
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415555	0	38	-2.0	-119.71	355.64	6.24	-113.47
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NN1CCC#N	REAL300000415556	0	35	-2.0	-112.90	348.64	6.16	-106.74
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415557	0	35	-2.0	-112.41	348.08	5.99	-106.42
CC1=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415558	0	41	-2.0	-120.38	368.68	6.91	-113.47
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1CCC#N	REAL300000415559	0	35	-2.0	-114.65	341.05	5.66	-108.99
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1CCC#N	REAL300000415560	0	41	-2.0	-103.08	379.13	7.19	-95.89
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1CCC#N	REAL300000415561	0	32	-2.0	-111.32	328.75	4.62	-106.70
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1CCC#N	REAL300000415562	0	38	-2.0	-118.48	351.00	6.37	-112.11
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NN1CCC#N	REAL300000415563	0	39	-2.0	-102.45	366.64	5.88	-96.57
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415564	0	36	-2.0	-115.17	341.37	4.91	-110.26
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NN1CCC#N	REAL300000415565	0	39	-2.0	-118.79	359.78	4.40	-114.39
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1CCC#N	REAL300000415566	0	35	-2.0	-107.10	344.69	5.28	-101.82
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415567	0	41	-2.0	-119.76	367.01	6.90	-112.86
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415568	0	32	-2.0	-112.82	326.37	4.59	-108.23
COC1=CC(S(=O)(=O)[N-]C2=NN(CCC#N)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000415569	0	43	-2.0	-117.52	393.88	5.40	-112.12
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC#N)C(C)=C2)C=C1C(=O)[O-]	REAL300000415570	0	39	-2.0	-122.47	362.85	5.66	-116.81
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=NN1CCC#N	REAL300000415571	0	45	-2.0	-122.49	390.81	8.22	-114.27
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=NN1CCC#N	REAL300000415572	0	44	-2.0	-120.62	389.47	7.60	-113.02
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C(C)=C1	REAL300000415573	0	41	-2.0	-116.68	365.71	7.32	-109.36
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC#N)C(C)=C1	REAL300000415574	0	42	-2.0	-123.58	386.21	6.14	-117.44
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415575	0	37	-3.0	-192.11	363.12	6.13	-185.98
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=NN1CCC#N	REAL300000415576	0	42	-2.0	-122.21	378.96	7.45	-114.76
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415577	0	35	-2.0	-111.09	338.58	4.74	-106.35
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415578	0	41	-2.0	-121.97	377.74	5.37	-116.60
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=NN1CCC#N	REAL300000415579	0	39	-2.0	-117.49	364.55	4.69	-112.80
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=NN1CCC#N	REAL300000415580	0	43	-2.0	-103.67	388.35	6.19	-97.48
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=NN1CCC#N	REAL300000415581	0	35	-2.0	-109.48	353.17	6.17	-103.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=NN1CCC#N	REAL300000415582	0	39	-2.0	-100.72	382.66	6.42	-94.30
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=NN1CCC#N	REAL300000415583	0	42	-2.0	-102.88	385.87	6.56	-96.32
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NN1CCC#N	REAL300000415584	0	38	-2.0	-108.66	356.28	6.40	-102.26
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=NN1CCC#N	REAL300000415585	0	39	-2.0	-101.72	372.87	5.94	-95.78
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC#N)C(C)=C2)C=C1C(=O)[O-]	REAL300000415586	0	42	-2.0	-123.75	384.69	6.57	-117.18
CC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415587	0	35	-2.0	-114.70	344.20	5.49	-109.21
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NN1CCC#N	REAL300000415588	0	35	-2.0	-101.58	348.62	6.15	-95.43
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1CCC#N	REAL300000415589	0	35	-2.0	-103.58	340.08	5.63	-97.95
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1CCC#N	REAL300000415590	0	32	-2.0	-105.78	327.82	4.72	-101.06
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415591	0	35	-2.0	-107.42	341.97	5.66	-101.76
CC1=CC([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415592	0	38	-2.0	-116.11	361.33	6.30	-109.81
COC1=CC(S(=O)(=O)[N-]C2=NN(CCC#N)C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000415593	0	39	-2.0	-106.17	375.88	6.21	-99.96
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1CCC#N	REAL300000415594	0	35	-2.0	-103.53	341.03	5.67	-97.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1CCC#N	REAL300000415595	0	35	-2.0	-101.69	348.06	6.00	-95.69
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=NN1CCC#N	REAL300000415596	0	38	-2.0	-110.47	365.01	6.79	-103.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=NN1CCC#N	REAL300000415597	0	43	-2.0	-100.36	399.30	7.01	-93.35
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415598	0	35	-2.0	-105.81	346.39	5.69	-100.12
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=NN1CCC#N	REAL300000415599	0	37	-2.0	-101.85	363.76	6.26	-95.59
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1CCC#N	REAL300000415600	0	36	-2.0	-117.23	345.28	3.32	-113.91
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1CCC#N	REAL300000415601	0	38	-2.0	-108.05	357.74	6.38	-101.67
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415602	0	35	-2.0	-107.40	356.28	6.13	-101.27
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1CCC#N	REAL300000415603	0	38	-2.0	-112.43	345.63	6.22	-106.21
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)=NN1CCC#N	REAL300000415604	0	38	-2.0	-115.96	360.40	6.25	-109.71
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1CCC#N	REAL300000415605	0	38	-2.0	-104.46	350.13	6.34	-98.12
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=NN1CCC#N	REAL300000415606	0	41	-2.0	-121.17	372.37	6.76	-114.41
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415607	0	37	-2.0	-114.50	362.13	6.68	-107.82
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NN1CCC#N	REAL300000415608	0	35	-2.0	-105.97	347.31	5.72	-100.25
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1CCC#N	REAL300000415609	0	41	-2.0	-116.69	370.05	6.97	-109.72
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415610	0	38	-2.0	-115.86	357.04	6.19	-109.67
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415611	0	38	-2.0	-114.71	367.33	6.72	-107.99
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=NN1CCC#N	REAL300000415612	0	38	-2.0	-121.16	360.60	6.29	-114.87
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC#N)C(C)=C2)C=C1C(=O)[O-]	REAL300000415613	0	41	-2.0	-119.25	369.01	6.75	-112.50
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC#N)C(C)=C2)C=C1CC(=O)[O-]	REAL300000415614	0	42	-2.0	-118.51	386.03	5.73	-112.78
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=NN1CCC#N	REAL300000415615	0	38	-2.0	-106.13	360.98	6.75	-99.38
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)=NN1CCC#N	REAL300000415616	0	38	-2.0	-114.84	366.79	6.55	-108.29
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCC#N)C(C)=C2)C=C1C(=O)[O-]	REAL300000415617	0	39	-2.0	-116.87	363.59	5.82	-111.05
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=NN1CCC#N	REAL300000415618	0	47	-2.0	-116.50	400.48	8.44	-108.06
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415619	0	38	-2.0	-110.45	365.43	6.56	-103.89
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415620	0	44	-2.0	-114.25	385.00	7.69	-106.56
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(CCC#N)C(C)=C2)C=C1C(=O)[O-]	REAL300000415621	0	39	-2.0	-118.52	375.88	6.21	-112.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1CCC#N	REAL300000415622	0	38	-2.0	-105.96	355.62	6.24	-99.72
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=NN1CCC#N	REAL300000415623	0	40	-2.0	-108.65	378.83	7.78	-100.87
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NN1CCC#N	REAL300000415624	0	38	-2.0	-115.66	355.52	6.41	-109.25
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=NN1CCC#N	REAL300000415625	0	37	-2.0	-123.01	359.30	7.46	-115.55
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1CCC#N	REAL300000415626	0	35	-2.0	-121.01	338.38	5.60	-115.41
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415627	0	38	-2.0	-108.69	356.73	6.17	-102.52
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415628	0	41	-2.0	-124.86	376.61	7.71	-117.15
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1CCC#N	REAL300000415629	0	34	-2.0	-114.86	331.79	3.72	-111.14
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCC#N)C(C)=C1	REAL300000415630	0	39	-2.0	-108.74	363.84	5.39	-103.35
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1CCC#N	REAL300000415631	0	32	-2.0	-104.71	335.68	4.56	-100.15
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=NN1CCC#N	REAL300000415632	0	42	-2.0	-111.20	381.70	7.48	-103.72
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=NN1CCC#N	REAL300000415633	0	42	-2.0	-113.98	380.15	7.45	-106.53
CCC1=C(S(=O)(=O)[N-]C2=NN(CCC#N)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000415634	0	38	-2.0	-110.93	357.69	5.59	-105.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(Br)C(F)=C2)C=C1	REAL300000415635	1	28	-2.0	-83.42	298.36	5.72	-77.70
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(Br)C(F)=C2)=C1	REAL300000415636	1	28	-2.0	-94.81	298.38	5.70	-89.11
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(Br)C(F)=C2)=C1	REAL300000415637	0	25	-2.0	-89.43	291.56	4.73	-84.70
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(Br)C(F)=C2)C=C1C(=O)[O-]	REAL300000415638	0	29	-2.0	-93.39	305.02	5.07	-88.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(Br)C(F)=C2)=CS1	REAL300000415639	0	25	-2.0	-90.95	290.02	4.75	-86.20
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(Br)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000415640	0	28	-2.0	-89.66	301.38	4.86	-84.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(Br)C(F)=C2)S1	REAL300000415641	0	25	-2.0	-84.70	290.64	4.84	-79.86
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C(Br)C(F)=C2)=C1	REAL300000415642	0	27	-2.0	-92.03	295.36	3.77	-88.26
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000415643	0	39	-2.0	-110.23	365.11	-0.83	-111.06
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000415644	0	32	-2.0	-127.98	313.17	0.62	-127.36
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C(N)=O	REAL300000415645	0	40	-2.0	-127.54	368.25	1.71	-125.83
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000415646	0	32	-2.0	-117.72	308.62	0.59	-117.13
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000415647	0	32	-2.0	-131.06	308.64	0.58	-130.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C(N)=O	REAL300000415648	0	36	-2.0	-135.50	336.77	0.40	-135.10
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000415649	0	36	-2.0	-116.47	340.10	1.88	-114.59
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000415650	0	35	-2.0	-133.91	328.71	1.23	-132.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)=C1C	REAL300000415651	0	38	-2.0	-132.53	341.31	1.94	-130.59
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000415652	0	32	-2.0	-127.59	314.12	0.65	-126.94
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000415653	0	38	-2.0	-116.25	352.22	2.18	-114.07
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000415654	0	29	-2.0	-125.22	301.83	-0.39	-125.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C(N)=O	REAL300000415655	0	35	-2.0	-130.24	324.07	1.37	-128.87
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000415656	0	36	-2.0	-115.26	339.72	0.87	-114.39
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000415657	0	33	-2.0	-129.41	315.29	-0.06	-129.47
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C(N)=O	REAL300000415658	0	36	-2.0	-131.01	332.43	-0.58	-131.59
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)=C1	REAL300000415659	0	32	-2.0	-121.09	317.75	0.27	-120.82
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000415660	0	38	-2.0	-131.74	340.09	1.90	-129.84
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000415661	0	29	-2.0	-126.59	300.30	-0.39	-126.98
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)=CC(C(=O)[O-])=C1OC	REAL300000415662	0	40	-2.0	-131.69	366.97	0.40	-131.29
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000415663	0	36	-2.0	-137.00	335.92	0.65	-136.35
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000415664	0	42	-2.0	-134.75	363.88	3.21	-131.54
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C(N)=O	REAL300000415665	0	41	-2.0	-132.32	362.54	2.60	-129.72
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C(N)=O	REAL300000415666	0	38	-2.0	-126.83	336.68	2.29	-124.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C(N)=O	REAL300000415667	0	39	-2.0	-134.96	359.05	1.17	-133.79
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000415668	0	34	-3.0	-209.56	337.04	1.15	-208.41
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000415669	0	39	-2.0	-135.14	352.88	2.47	-132.67
CC1=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000415670	0	32	-2.0	-123.43	311.64	-0.27	-123.70
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000415671	0	38	-2.0	-136.30	350.81	0.36	-135.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)=C1	REAL300000415672	0	36	-2.0	-132.07	337.62	-0.31	-132.38
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000415673	0	40	-2.0	-116.96	362.28	1.21	-115.75
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000415674	0	32	-2.0	-120.21	336.31	1.44	-118.77
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300000415675	0	36	-2.0	-113.49	355.74	1.41	-112.08
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)=CC=C1OCC(=O)[O-]	REAL300000415676	0	39	-2.0	-115.90	359.80	1.58	-114.32
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C(N)=O	REAL300000415677	0	35	-2.0	-120.74	329.35	1.40	-119.34
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)=CC=C1OCCCC(=O)[O-]	REAL300000415678	0	45	-2.0	-115.33	402.23	2.51	-112.82
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000415679	0	36	-2.0	-114.43	345.93	0.93	-113.50
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000415680	0	39	-2.0	-137.71	357.77	1.56	-136.15
CC1=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C=C(C(=O)[O-])S1	REAL300000415681	0	32	-2.0	-126.54	317.26	0.48	-126.06
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300000415682	0	32	-2.0	-118.92	336.87	1.59	-117.33
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000415683	0	32	-2.0	-114.81	321.69	1.14	-113.67
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000415684	0	32	-2.0	-116.92	313.15	0.63	-116.29
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000415685	0	29	-2.0	-119.89	300.89	-0.29	-120.18
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000415686	0	32	-2.0	-121.60	315.04	0.65	-120.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)=C1F	REAL300000415687	0	35	-2.0	-129.27	334.38	1.28	-127.99
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)=C(Cl)C=C1C(=O)[O-]	REAL300000415688	0	36	-2.0	-119.55	348.95	1.20	-118.35
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000415689	0	32	-2.0	-117.55	314.10	0.66	-116.89
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000415690	0	32	-2.0	-115.18	321.12	0.99	-114.19
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C(N)=O	REAL300000415691	0	35	-2.0	-122.44	338.08	1.79	-120.65
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000415692	0	40	-2.0	-112.84	372.38	2.00	-110.84
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000415693	0	34	-2.0	-115.42	336.83	1.26	-114.16
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000415694	0	33	-2.0	-128.32	318.35	-1.69	-130.01
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000415695	0	35	-2.0	-123.76	330.82	1.37	-122.39
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000415696	0	32	-2.0	-120.88	329.34	1.12	-119.76
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C)C=C1C(N)=O	REAL300000415697	0	35	-2.0	-127.96	318.71	1.22	-126.74
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)=CC(C(=O)[O-])=C1F	REAL300000415698	0	35	-2.0	-129.60	333.48	1.24	-128.36
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C=C1C(N)=O	REAL300000415699	0	35	-2.0	-117.36	324.06	1.36	-116.00
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)=CC(C(=O)[O-])=C1C	REAL300000415700	0	38	-2.0	-136.21	345.44	1.75	-134.46
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000415701	0	34	-2.0	-128.34	335.20	1.67	-126.67
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000415702	0	32	-2.0	-119.26	320.37	0.71	-118.55
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C(C)=C1C(=O)[O-]	REAL300000415703	0	38	-2.0	-132.30	343.12	1.97	-130.33
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000415704	0	35	-2.0	-130.08	333.96	1.28	-128.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)=C1Cl	REAL300000415705	0	35	-2.0	-127.17	340.42	1.71	-125.46
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)=C1	REAL300000415706	0	35	-2.0	-137.47	333.67	1.28	-136.19
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000415707	0	38	-2.0	-133.31	342.87	1.77	-131.54
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C=C1CC(=O)[O-]	REAL300000415708	0	39	-2.0	-131.66	359.10	0.72	-130.94
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C(N)=O	REAL300000415709	0	35	-2.0	-120.77	334.90	1.77	-119.00
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300000415710	0	35	-2.0	-114.01	338.75	1.40	-112.61
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)=CC(C(=O)[O-])=C1Cl	REAL300000415711	0	35	-2.0	-128.62	339.86	1.54	-127.08
CCN1C=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000415712	0	36	-2.0	-130.89	336.59	0.80	-130.09
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=N1	REAL300000415713	0	32	-2.0	-117.56	334.25	1.14	-116.42
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000415714	0	35	-2.0	-124.46	338.50	1.55	-122.91
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000415715	0	36	-2.0	-130.67	348.96	1.20	-129.47
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)=CC=C1C(=O)[O-]	REAL300000415716	0	35	-2.0	-118.06	324.65	1.13	-116.93
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000415717	0	37	-2.0	-121.50	351.91	2.78	-118.72
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C(N)=O	REAL300000415718	0	35	-2.0	-127.43	328.18	1.43	-126.00
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000415719	0	34	-2.0	-138.81	332.36	2.45	-136.36
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000415720	0	32	-2.0	-136.52	312.30	0.62	-135.90
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000415721	0	35	-2.0	-122.68	329.80	1.16	-121.52
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000415722	0	38	-2.0	-140.07	349.68	2.72	-137.35
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000415723	0	31	-2.0	-126.76	305.62	-1.36	-128.12
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C=C1C(N)=O	REAL300000415724	0	36	-2.0	-122.11	336.84	0.39	-121.72
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000415725	0	29	-2.0	-117.81	308.74	-0.45	-118.26
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000415726	0	39	-2.0	-123.86	354.76	2.47	-121.39
CN1C=C(C(N)=O)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000415727	0	39	-2.0	-130.19	354.08	2.47	-127.72
CCC1=C(S(=O)(=O)[N-]C2=NN(C)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000415728	0	35	-2.0	-122.36	330.76	0.58	-121.78
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000415729	0	41	-2.0	-115.70	369.39	5.81	-109.89
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000415730	0	38	-2.0	-115.49	353.96	5.03	-110.46
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000415731	0	37	-2.0	-110.68	335.10	4.24	-106.44
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300000415732	1	40	-2.0	-112.77	353.66	6.78	-105.99
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000415733	0	32	-2.0	-119.66	307.67	4.67	-114.99
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000415734	0	34	-3.0	-162.82	332.63	4.09	-158.73
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000415734	1	35	-2.0	-96.55	332.58	4.02	-92.53
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000415735	0	31	-2.0	-102.73	311.04	3.02	-99.71
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000415736	0	33	-2.0	-109.31	320.07	4.77	-104.54
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000415737	0	33	-2.0	-105.13	319.99	4.77	-100.36
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000415738	0	32	-2.0	-108.69	321.40	4.96	-103.73
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000415739	0	34	-3.0	-175.21	332.17	4.97	-170.24
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000415739	1	35	-2.0	-101.01	332.07	4.90	-96.11
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300000415740	0	47	-2.0	-115.50	376.27	7.56	-107.94
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000415741	0	41	-2.0	-110.97	361.99	4.33	-106.64
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300000415742	0	37	-2.0	-109.81	346.06	5.68	-104.13
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000415743	0	35	-2.0	-104.36	337.90	5.38	-98.98
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000415744	0	42	-2.0	-113.74	361.89	6.87	-106.87
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000415745	0	34	-3.0	-163.76	327.63	4.95	-158.81
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000415745	1	35	-2.0	-104.84	327.46	4.87	-99.97
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000415746	0	40	-2.0	-120.70	356.91	3.46	-117.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1OC	REAL300000415747	0	40	-2.0	-110.56	357.91	3.59	-106.97
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000415748	0	39	-2.0	-113.98	344.69	6.29	-107.69
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)ON=C1C	REAL300000415749	0	34	-2.0	-102.02	314.10	3.30	-98.72
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000415750	0	32	-2.0	-103.40	331.08	5.36	-98.04
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000415751	0	34	-3.0	-178.41	327.63	4.94	-173.47
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000415751	1	35	-2.0	-99.95	327.56	4.87	-95.08
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000415752	0	32	-2.0	-102.54	311.87	4.50	-98.04
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000415753	0	32	-2.0	-108.89	329.03	5.46	-103.43
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000415754	0	35	-2.0	-108.50	337.90	5.38	-103.12
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1	REAL300000415755	0	35	-2.0	-113.09	320.57	5.05	-108.04
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C=CC1=CC=CC=C1	REAL300000415756	1	36	-2.0	-110.54	331.08	5.56	-104.98
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000415757	0	35	-2.0	-115.50	325.05	5.76	-109.74
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000415758	0	32	-2.0	-108.91	315.90	4.90	-104.01
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300000415759	0	37	-2.0	-110.97	340.43	4.79	-106.18
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C	REAL300000415760	0	38	-2.0	-113.22	336.07	5.82	-107.40
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C)=C1	REAL300000415761	0	38	-2.0	-113.88	337.59	5.58	-108.30
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000415762	0	32	-2.0	-102.77	321.76	4.95	-97.82
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300000415763	0	37	-2.0	-121.77	339.66	4.76	-117.01
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C	REAL300000415764	0	38	-2.0	-112.66	336.07	5.81	-106.85
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000415765	0	38	-2.0	-125.33	344.41	5.76	-119.57
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415766	0	41	-2.0	-106.84	375.82	5.97	-100.87
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000415767	0	32	-2.0	-110.49	327.49	5.40	-105.09
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300000415768	0	44	-2.0	-111.74	375.37	6.70	-105.04
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300000415769	0	41	-2.0	-111.67	359.39	6.31	-105.36
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415770	0	44	-2.0	-111.49	377.85	6.97	-104.52
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000415771	0	38	-3.0	-184.54	355.78	4.74	-179.80
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000415772	0	38	-3.0	-164.15	359.10	6.24	-157.91
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000415772	1	39	-2.0	-102.81	358.92	6.16	-96.65
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300000415773	0	32	-2.0	-113.59	322.78	5.71	-107.88
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000415774	0	29	-2.0	-104.58	308.15	4.00	-100.58
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415775	0	41	-2.0	-111.67	363.58	6.60	-105.07
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC	REAL300000415776	0	36	-2.0	-119.24	327.43	4.17	-115.07
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000415777	0	37	-3.0	-179.96	343.66	5.47	-174.49
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000415777	1	38	-2.0	-122.88	343.90	5.42	-117.46
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000415778	0	32	-2.0	-106.38	317.23	4.57	-101.81
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000415779	0	32	-2.0	-103.68	332.63	5.41	-98.27
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000415780	0	32	-2.0	-113.61	312.30	4.94	-108.67
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000415781	0	34	-2.0	-109.40	327.39	5.05	-104.35
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300000415782	0	37	-2.0	-109.45	342.88	5.81	-103.64
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000415783	0	29	-2.0	-110.34	291.10	3.38	-106.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415784	0	36	-2.0	-110.20	328.68	3.68	-106.52
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000415785	0	34	-2.0	-123.84	320.27	5.79	-118.05
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1	REAL300000415786	0	35	-2.0	-112.48	320.59	5.06	-107.42
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415787	0	39	-2.0	-109.84	350.51	4.60	-105.24
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000415788	0	32	-2.0	-107.97	311.08	4.51	-103.46
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000415789	0	32	-2.0	-108.96	305.58	4.45	-104.51
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000415790	0	32	-2.0	-102.96	311.99	4.52	-98.44
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300000415791	0	44	-2.0	-113.14	363.26	7.13	-106.01
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000415792	0	38	-2.0	-112.34	343.66	3.54	-108.80
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300000415793	0	41	-2.0	-112.52	350.71	6.71	-105.81
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300000415794	0	47	-2.0	-114.43	390.87	7.48	-106.95
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000415795	0	32	-2.0	-105.90	315.91	4.90	-101.00
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000415796	0	34	-2.0	-100.79	327.40	5.05	-95.74
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000415797	0	32	-2.0	-112.45	299.16	4.38	-108.07
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300000415798	0	39	-2.0	-117.83	355.53	3.27	-114.56
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)S1	REAL300000415799	0	32	-2.0	-111.34	312.99	4.18	-107.16
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000415800	0	40	-3.0	-181.20	360.74	6.27	-174.93
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000415800	1	41	-2.0	-121.21	357.98	5.83	-115.38
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300000415801	0	36	-2.0	-112.27	344.16	4.69	-107.58
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000415802	0	34	-3.0	-175.66	333.11	5.00	-170.66
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300000415803	0	47	-2.0	-111.50	402.64	7.89	-103.61
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300000415804	0	37	-2.0	-107.51	337.41	5.65	-101.86
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000415805	0	32	-2.0	-111.38	311.07	4.51	-106.87
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000415806	0	40	-3.0	-163.71	371.22	6.53	-157.18
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000415806	1	41	-2.0	-101.69	371.16	6.46	-95.23
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415807	0	42	-2.0	-117.51	375.84	4.09	-113.42
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000415808	0	36	-2.0	-108.10	334.91	1.20	-106.90
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(SC)C=C1	REAL300000415809	0	36	-2.0	-110.02	339.38	5.40	-104.62
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000415810	0	37	-2.0	-109.08	341.20	2.83	-106.25
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000415811	0	40	-2.0	-110.14	358.99	3.57	-106.57
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300000415812	0	37	-2.0	-109.85	347.44	4.56	-105.29
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000415813	0	31	-3.0	-171.23	320.82	3.96	-167.27
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000415814	0	35	-2.0	-107.68	330.92	1.88	-105.80
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000415815	0	37	-3.0	-179.39	343.07	5.72	-173.67
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000415815	1	38	-2.0	-118.82	344.06	5.74	-113.08
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300000415816	0	38	-2.0	-110.34	336.79	3.46	-106.88
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300000415817	0	40	-2.0	-108.97	360.60	6.38	-102.59
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415818	0	38	-2.0	-107.22	353.95	5.04	-102.18
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415819	0	39	-2.0	-111.38	355.62	2.66	-108.72
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000415820	0	41	-2.0	-121.33	371.29	6.06	-115.27
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000415821	0	36	-2.0	-111.39	333.69	1.16	-110.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415822	0	38	-2.0	-111.99	342.07	5.82	-106.17
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000415823	0	38	-2.0	-114.81	345.11	6.67	-108.14
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=CS1	REAL300000415824	0	35	-2.0	-121.67	338.75	4.68	-116.99
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415825	0	42	-2.0	-111.00	375.75	4.89	-106.11
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300000415826	0	42	-2.0	-110.24	358.75	5.35	-104.89
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000415827	0	38	-3.0	-162.83	358.70	5.22	-157.61
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000415827	1	39	-2.0	-102.95	358.58	5.15	-97.80
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300000415828	0	44	-2.0	-111.95	380.34	7.07	-104.88
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000415829	0	32	-2.0	-105.23	305.59	4.45	-100.78
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000415830	0	32	-2.0	-116.39	304.67	4.44	-111.95
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000415831	0	37	-2.0	-108.24	341.55	4.88	-103.36
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000415832	0	38	-2.0	-126.16	353.31	2.88	-123.28
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300000415833	0	40	-2.0	-128.08	360.52	5.65	-122.43
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415834	0	42	-2.0	-109.34	372.01	5.41	-103.93
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1Cl	REAL300000415835	0	35	-2.0	-113.25	333.71	5.61	-107.64
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300000415836	0	38	-2.0	-108.96	349.90	1.61	-107.35
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300000415837	0	40	-2.0	-109.35	362.01	4.81	-104.54
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000415838	0	37	-2.0	-106.12	346.85	5.88	-100.24
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300000415839	0	38	-2.0	-108.98	353.29	4.34	-104.64
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C	REAL300000415840	0	35	-2.0	-105.32	321.06	5.21	-100.11
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000415841	0	32	-2.0	-105.70	318.70	5.01	-100.69
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300000415843	0	43	-2.0	-111.39	372.93	4.37	-107.02
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000415844	0	35	-3.0	-176.00	334.28	4.30	-171.70
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000415845	0	32	-2.0	-118.41	316.64	3.94	-114.47
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000415846	0	37	-2.0	-110.12	341.12	0.55	-109.57
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000415847	0	38	-3.0	-180.00	351.41	3.78	-176.22
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000415847	1	39	-2.0	-120.74	352.84	3.78	-116.96
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415848	0	43	-2.0	-111.87	384.14	3.88	-107.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1Cl	REAL300000415849	0	36	-2.0	-108.47	344.71	4.24	-104.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000415850	0	36	-2.0	-108.34	334.90	3.76	-104.58
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1C	REAL300000415851	0	39	-2.0	-111.12	348.75	4.42	-106.70
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1C	REAL300000415852	0	42	-2.0	-110.71	370.61	5.35	-105.36
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1	REAL300000415853	0	39	-2.0	-107.13	349.75	1.83	-105.30
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1C(N)=O	REAL300000415854	0	40	-2.0	-108.87	361.00	1.76	-107.11
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000415855	0	32	-2.0	-108.98	303.72	2.09	-106.89
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300000415856	0	37	-2.0	-100.81	342.88	5.81	-95.00
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=CN1C	REAL300000415857	0	40	-2.0	-110.55	363.05	2.04	-108.51
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300000415858	0	35	-2.0	-109.18	331.39	5.67	-103.51
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300000415859	0	45	-2.0	-109.36	392.11	6.10	-103.26
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CCOC1=CC=C(F)C=C1	REAL300000415860	0	39	-2.0	-105.40	358.68	4.78	-100.62
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300000415861	0	42	-2.0	-110.75	372.76	5.27	-105.48
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000415862	0	34	-3.0	-166.63	336.77	4.63	-162.00
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000415863	0	33	-2.0	-102.13	335.39	5.19	-96.94
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000415864	0	33	-2.0	-102.80	335.42	5.18	-97.62
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000415865	0	40	-3.0	-180.96	359.08	6.25	-174.71
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000415865	1	41	-2.0	-119.03	360.12	6.29	-112.74
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000415866	0	36	-2.0	-116.86	337.53	4.75	-112.11
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300000415867	0	35	-2.0	-109.50	334.64	5.49	-104.01
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000415868	0	32	-2.0	-113.02	320.83	4.94	-108.08
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300000415869	0	45	-2.0	-110.87	388.53	5.97	-104.90
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300000415870	0	35	-2.0	-109.28	325.90	5.09	-104.19
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300000415871	0	35	-2.0	-106.02	331.39	5.65	-100.37
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000415872	0	35	-2.0	-116.56	326.08	5.11	-111.45
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C	REAL300000415873	0	35	-2.0	-109.23	321.06	5.22	-104.01
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300000415874	0	37	-2.0	-125.43	332.80	6.63	-118.80
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300000415875	0	42	-2.0	-122.32	371.71	4.21	-118.11
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000415876	0	31	-3.0	-173.20	319.29	3.98	-169.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1C(=O)[O-]	REAL300000415877	0	38	-3.0	-184.48	354.91	5.01	-179.47
COC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1C(=O)[O-]	REAL300000415877	1	39	-2.0	-104.96	354.80	4.93	-100.03
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=CC=C1O	REAL300000415878	0	39	-2.0	-108.48	362.78	3.07	-105.41
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000415879	0	34	-2.0	-117.02	326.66	5.87	-111.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300000415880	0	39	-2.0	-110.32	344.13	4.44	-105.88
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1C	REAL300000415881	0	42	-2.0	-111.31	364.20	5.18	-106.13
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1O	REAL300000415882	0	36	-2.0	-115.00	330.36	2.75	-112.25
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000415883	0	29	-2.0	-106.46	280.75	0.78	-105.68
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000415884	0	40	-3.0	-178.27	357.77	6.66	-171.61
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000415884	1	41	-2.0	-119.11	356.21	6.02	-113.09
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000415885	0	35	-2.0	-114.93	338.69	5.29	-109.64
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)S1	REAL300000415886	0	35	-2.0	-105.17	347.05	4.15	-101.02
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300000415887	0	40	-2.0	-123.14	359.35	7.02	-116.12
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000415888	0	36	-2.0	-104.58	336.98	4.76	-99.82
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000415889	0	32	-2.0	-109.48	314.08	4.74	-104.74
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000415890	0	34	-3.0	-169.96	330.64	4.09	-165.87
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000415891	0	35	-2.0	-132.13	327.36	3.59	-128.54
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000415892	0	42	-2.0	-120.93	370.69	5.76	-115.17
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000415893	0	37	-2.0	-122.35	347.50	4.55	-117.80
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000415894	0	34	-2.0	-127.47	325.19	6.01	-121.46
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000415895	0	38	-3.0	-179.96	356.62	4.03	-175.93
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000415896	0	39	-2.0	-110.11	359.74	5.50	-104.61
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000415897	0	31	-2.0	-102.98	300.57	2.67	-100.31
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000415898	0	35	-2.0	-110.58	347.22	4.05	-106.53
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000415899	0	40	-2.0	-108.50	357.60	6.77	-101.73
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300000415900	0	37	-2.0	-113.53	335.33	4.80	-108.73
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000415901	0	31	-2.0	-104.09	324.32	3.51	-100.58
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000415902	0	32	-2.0	-119.96	303.35	3.46	-116.50
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300000415903	0	42	-2.0	-109.96	365.98	5.37	-104.59
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300000415904	0	40	-2.0	-106.35	365.49	4.12	-102.23
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300000415905	0	36	-2.0	-102.38	338.92	1.36	-101.02
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000415906	0	32	-2.0	-113.91	310.94	4.51	-109.40
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C(F)=C1	REAL300000415907	0	36	-2.0	-114.76	337.16	3.97	-110.79
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000415908	0	38	-2.0	-117.80	342.30	4.03	-113.77
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C)=N1	REAL300000415909	0	35	-2.0	-120.70	322.70	3.28	-117.42
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000415910	0	36	-2.0	-114.58	337.19	4.43	-110.15
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000415911	0	41	-2.0	-115.10	375.83	5.96	-109.14
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=N1	REAL300000415912	0	35	-2.0	-109.14	325.25	2.95	-106.19
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000415913	0	39	-2.0	-114.17	354.24	4.10	-110.07
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000415914	0	37	-2.0	-110.55	335.16	3.68	-106.87
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000415915	0	32	-2.0	-108.90	318.70	5.01	-103.89
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300000415916	0	40	-2.0	-110.90	356.08	4.99	-105.91
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000415917	0	36	-2.0	-105.76	343.46	1.23	-104.53
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNN=C1C	REAL300000415918	0	32	-2.0	-107.13	299.55	1.43	-105.70
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000415919	0	36	-2.0	-114.09	328.67	3.68	-110.41
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C	REAL300000415920	0	35	-2.0	-112.53	314.65	5.14	-107.39
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000415921	0	32	-2.0	-117.04	304.01	1.91	-115.13
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000415922	0	32	-2.0	-103.62	299.41	2.02	-101.60
COCCS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000415923	0	32	-2.0	-105.69	296.06	1.17	-104.52
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000415924	0	36	-2.0	-115.10	318.52	2.57	-112.53
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CC1CCCCO1	REAL300000415925	0	39	-2.0	-113.47	336.02	3.64	-109.83
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1F	REAL300000415926	0	35	-2.0	-115.95	326.08	5.12	-110.83
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C)=C1	REAL300000415927	0	35	-2.0	-105.73	325.90	5.08	-100.65
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000415928	0	29	-2.0	-118.23	280.64	1.76	-116.47
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)O1	REAL300000415929	0	35	-2.0	-105.40	338.71	3.18	-102.22
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000415930	0	37	-2.0	-128.19	339.11	5.01	-123.18
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000415931	0	34	-3.0	-174.65	337.32	4.82	-169.83
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1C	REAL300000415932	0	41	-2.0	-113.81	364.00	5.67	-108.14
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000415933	0	36	-2.0	-114.19	341.78	4.24	-109.95
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300000415934	0	34	-2.0	-103.43	329.82	3.61	-99.82
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000415935	0	38	-2.0	-120.46	358.24	1.91	-118.55
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C(C)=C1C	REAL300000415936	0	42	-2.0	-111.29	360.51	5.09	-106.20
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415937	0	41	-2.0	-117.49	376.14	5.83	-111.66
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300000415939	0	44	-2.0	-110.73	377.27	5.02	-105.71
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CS1	REAL300000415940	0	32	-2.0	-111.62	307.39	4.20	-107.42
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1C	REAL300000415941	0	41	-2.0	-110.69	357.68	4.28	-106.41
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1C	REAL300000415942	0	41	-2.0	-107.38	369.97	5.57	-101.81
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300000415943	0	37	-2.0	-101.27	343.38	5.57	-95.70
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000415944	0	40	-2.0	-124.04	358.76	2.84	-121.20
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300000415945	0	36	-2.0	-109.36	335.44	5.54	-103.82
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300000415946	0	44	-2.0	-111.76	351.83	6.94	-104.82
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300000415947	0	42	-2.0	-129.44	374.04	4.18	-125.26
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC	REAL300000415948	0	36	-2.0	-113.75	336.82	4.85	-108.90
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1C	REAL300000415949	0	36	-2.0	-105.11	335.42	5.54	-99.57
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000415950	0	44	-2.0	-111.57	361.04	7.84	-103.73
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000415951	0	33	-2.0	-107.89	325.47	4.84	-103.05
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300000415952	0	37	-2.0	-109.59	342.82	2.04	-107.55
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000415953	0	38	-2.0	-109.13	343.93	3.47	-105.66
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000415954	0	37	-2.0	-112.49	340.13	4.78	-107.71
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=N1	REAL300000415955	0	38	-2.0	-114.82	358.55	3.16	-111.66
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000415956	0	38	-2.0	-118.43	343.14	2.81	-115.62
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1[N+](=O)[O-]	REAL300000415957	0	35	-2.0	-113.96	341.00	6.19	-107.77
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415959	0	43	-2.0	-107.25	381.77	4.00	-103.25
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000415960	0	32	-2.0	-97.42	318.16	4.56	-92.86
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300000415961	0	43	-2.0	-109.48	381.62	6.21	-103.27
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CCOC(C)C	REAL300000415962	0	38	-2.0	-106.28	338.19	2.88	-103.40
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=CN1C	REAL300000415963	0	39	-2.0	-114.74	360.34	4.49	-110.25
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000415964	0	47	-2.0	-111.61	389.61	7.17	-104.44
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000415965	0	34	-3.0	-162.85	332.15	4.98	-157.87
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000415965	1	35	-2.0	-108.56	332.02	4.90	-103.66
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300000415966	0	42	-2.0	-118.11	377.43	5.04	-113.07
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300000415967	0	38	-2.0	-106.39	346.21	5.72	-100.67
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000415968	0	31	-3.0	-165.38	319.89	4.07	-161.31
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000415969	0	41	-2.0	-120.03	363.92	5.63	-114.40
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000415970	0	34	-3.0	-168.49	334.04	5.01	-163.48
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000415970	1	35	-2.0	-114.73	333.97	4.93	-109.80
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=CN1	REAL300000415971	0	36	-2.0	-112.28	342.57	2.73	-109.55
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000415972	0	34	-3.0	-163.41	333.10	5.01	-158.40
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000415973	0	35	-2.0	-108.40	319.97	5.18	-103.22
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=CC=C1C	REAL300000415974	0	41	-2.0	-109.44	369.99	5.56	-103.88
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=CS1	REAL300000415975	0	35	-2.0	-111.02	346.44	4.07	-106.95
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)N=C(C)S1	REAL300000415976	0	34	-2.0	-108.59	324.40	2.95	-105.64
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000415977	0	36	-2.0	-117.86	341.42	5.56	-112.30
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300000415978	0	40	-2.0	-100.59	357.52	6.72	-93.87
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(O)C(NC(C)=O)=C1	REAL300000415979	0	40	-2.0	-124.65	364.78	0.55	-124.10
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000415980	0	38	-2.0	-113.36	342.06	5.81	-107.55
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300000415981	0	35	-2.0	-108.88	326.99	5.12	-103.76
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000415982	0	38	-2.0	-106.35	357.06	3.85	-102.50
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000415983	0	38	-2.0	-108.57	350.57	3.44	-105.13
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300000415984	0	43	-2.0	-110.79	376.60	5.64	-105.15
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300000415985	0	35	-2.0	-108.02	331.36	5.14	-102.88
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000415986	0	38	-2.0	-120.48	340.21	6.69	-113.79
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000415987	0	34	-2.0	-109.15	331.17	3.87	-105.28
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000415988	0	35	-3.0	-178.10	337.35	2.65	-175.45
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000415989	0	42	-2.0	-116.27	354.48	7.00	-109.27
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000415990	0	37	-3.0	-168.70	349.82	5.73	-162.97
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000415990	1	38	-2.0	-102.06	349.77	5.65	-96.41
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)O1	REAL300000415991	0	38	-2.0	-105.46	360.58	4.11	-101.35
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000415992	0	34	-2.0	-101.39	333.79	5.12	-96.27
COC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)SC=C1	REAL300000415993	0	33	-2.0	-120.01	321.34	2.66	-117.35
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300000415994	0	38	-2.0	-110.42	355.92	5.48	-104.94
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000415995	0	35	-2.0	-113.11	328.94	4.77	-108.34
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300000415996	0	40	-2.0	-129.96	360.69	5.63	-124.33
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000415997	0	34	-2.0	-116.43	332.42	3.14	-113.29
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000415998	0	32	-2.0	-101.62	315.22	3.29	-98.33
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000415999	0	32	-2.0	-114.38	319.35	3.21	-111.17
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=CC(OC)=C1	REAL300000416000	0	40	-2.0	-114.74	358.16	2.99	-111.75
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000416001	0	33	-2.0	-116.23	315.01	3.12	-113.11
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300000416002	0	40	-2.0	-125.07	350.24	7.19	-117.88
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000416003	0	33	-2.0	-103.11	321.39	2.20	-100.91
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(C)S1	REAL300000416004	0	31	-2.0	-107.77	307.70	2.21	-105.56
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000416005	0	37	-3.0	-174.91	337.67	5.57	-169.34
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000416005	1	38	-2.0	-101.11	338.57	5.61	-95.50
COCCOCCS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416006	0	39	-2.0	-108.58	351.54	1.40	-107.18
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000416007	0	37	-3.0	-164.19	343.05	5.71	-158.48
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000416007	1	38	-2.0	-106.31	344.03	5.74	-100.57
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300000416008	0	35	-2.0	-111.15	331.36	5.15	-106.00
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000416009	0	40	-3.0	-181.88	361.10	6.02	-175.86
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000416009	1	41	-2.0	-99.81	358.87	5.86	-93.95
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000416010	0	35	-2.0	-108.62	344.50	5.89	-102.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1CC	REAL300000416011	0	44	-2.0	-113.70	376.22	6.95	-106.75
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000416012	0	31	-2.0	-109.42	318.14	3.83	-105.59
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000416013	0	38	-2.0	-118.52	344.61	4.77	-113.75
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=N1	REAL300000416014	0	37	-2.0	-103.41	349.91	3.22	-100.19
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000416015	0	31	-2.0	-101.66	324.62	3.57	-98.09
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000416016	0	40	-3.0	-179.39	362.11	6.33	-173.06
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000416016	1	41	-2.0	-104.86	362.49	6.35	-98.51
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416017	0	40	-2.0	-122.11	362.26	5.65	-116.46
COCCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=N1	REAL300000416018	0	39	-2.0	-107.50	358.92	2.00	-105.50
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C([N+](=O)[O-])=N1	REAL300000416019	0	37	-2.0	-116.48	349.49	5.21	-111.27
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1C(=O)[O-]	REAL300000416020	0	40	-3.0	-180.90	361.57	6.13	-174.77
CCC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1C(=O)[O-]	REAL300000416020	1	41	-2.0	-99.09	361.80	6.05	-93.04
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000416021	0	43	-2.0	-109.21	376.33	2.92	-106.29
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000416023	0	41	-2.0	-111.61	372.16	6.03	-105.58
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416024	0	38	-2.0	-119.08	346.66	5.12	-113.96
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000416025	0	40	-2.0	-107.57	357.21	2.13	-105.44
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1F	REAL300000416026	0	35	-2.0	-117.30	324.98	5.09	-112.21
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=N1	REAL300000416027	0	38	-2.0	-105.22	348.21	2.01	-103.21
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000416028	0	39	-2.0	-121.84	345.12	4.40	-117.44
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000416029	0	39	-2.0	-111.93	354.26	4.11	-107.82
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416030	0	37	-2.0	-115.69	338.44	1.37	-114.32
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300000416031	0	35	-2.0	-114.44	331.03	5.52	-108.92
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C)=C1	REAL300000416033	0	35	-2.0	-109.95	322.12	3.96	-105.99
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300000416034	0	38	-2.0	-116.83	345.43	2.05	-114.78
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000416035	0	40	-2.0	-111.79	352.87	5.01	-106.78
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416036	0	39	-2.0	-111.12	345.77	4.42	-106.70
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300000416037	0	42	-2.0	-109.97	368.46	5.23	-104.74
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)O1	REAL300000416038	0	32	-2.0	-110.79	303.77	3.20	-107.59
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)S1	REAL300000416039	0	35	-2.0	-112.15	331.38	4.74	-107.41
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000416040	0	35	-2.0	-108.43	325.21	3.04	-105.39
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300000416041	0	40	-2.0	-128.40	352.80	6.15	-122.25
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000416042	0	38	-2.0	-122.32	348.44	6.40	-115.92
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000416043	0	34	-2.0	-99.02	331.90	5.08	-93.94
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000416044	0	32	-2.0	-103.35	322.32	4.97	-98.38
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C(C)O1	REAL300000416045	0	38	-2.0	-106.45	357.01	3.94	-102.51
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000416046	0	31	-2.0	-103.15	310.92	3.08	-100.07
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)N=C1C	REAL300000416047	0	38	-2.0	-120.58	344.78	4.17	-116.41
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300000416048	0	35	-2.0	-113.87	333.71	5.61	-108.26
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1C(=O)[O-]	REAL300000416049	0	38	-3.0	-177.35	355.59	5.15	-172.20
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416050	0	35	-2.0	-109.59	339.06	3.13	-106.46
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416051	0	44	-2.0	-111.75	378.65	4.94	-106.81
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300000416052	0	40	-2.0	-106.73	358.86	6.32	-100.41
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000416053	0	32	-2.0	-116.67	315.23	5.19	-111.48
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1Cl	REAL300000416054	0	34	-2.0	-110.96	329.07	3.70	-107.26
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300000416055	0	37	-2.0	-111.02	348.21	4.57	-106.45
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)S1	REAL300000416056	0	34	-2.0	-107.44	329.18	2.96	-104.48
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3OC)C=C12	REAL300000416057	0	39	-2.0	-101.74	360.41	2.09	-99.65
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300000416058	0	34	-2.0	-106.15	337.30	4.71	-101.44
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(OC)=C1	REAL300000416059	0	35	-2.0	-101.43	340.02	2.35	-99.08
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000416060	0	34	-2.0	-101.38	333.90	3.62	-97.76
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300000416061	0	47	-2.0	-110.57	398.43	5.87	-104.70
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300000416062	0	39	-2.0	-107.94	349.26	4.49	-103.45
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000416063	0	33	-2.0	-105.56	333.06	5.34	-100.22
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000416064	0	35	-2.0	-120.56	327.09	4.70	-115.86
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416065	0	37	-2.0	-108.01	349.12	3.24	-104.77
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000416066	0	29	-2.0	-105.13	303.55	3.12	-102.01
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300000416067	0	40	-2.0	-110.39	358.86	6.33	-104.06
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300000416068	0	42	-2.0	-119.26	362.71	6.14	-113.12
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300000416069	1	40	-2.0	-114.18	350.26	4.77	-109.41
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300000416070	0	32	-2.0	-105.14	328.16	4.60	-100.54
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000416071	0	35	-2.0	-117.73	333.34	5.31	-112.42
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000416072	0	35	-2.0	-108.24	338.24	3.24	-105.00
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1SC	REAL300000416073	0	36	-2.0	-119.06	335.26	5.44	-113.62
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300000416074	0	41	-2.0	-115.35	353.17	6.38	-108.97
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=CC=C1F	REAL300000416075	0	36	-2.0	-104.88	334.89	3.76	-101.12
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000416076	0	29	-2.0	-109.86	281.85	2.38	-107.48
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000416077	0	31	-2.0	-98.40	292.59	0.84	-97.56
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000416078	0	37	-2.0	-106.61	343.52	3.51	-103.10
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000416079	0	31	-2.0	-103.03	320.34	4.14	-98.89
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300000416080	0	41	-2.0	-112.53	361.22	5.82	-106.71
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000416081	0	40	-2.0	-113.32	366.37	2.60	-110.72
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000416082	0	36	-2.0	-114.19	327.30	3.81	-110.38
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000416083	0	33	-2.0	-109.21	333.14	5.33	-103.88
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000416084	0	35	-2.0	-109.11	343.12	3.45	-105.66
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416085	0	38	-2.0	-111.49	329.38	6.10	-105.39
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300000416086	0	40	-2.0	-125.73	353.15	4.89	-120.84
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CCCCCl	REAL300000416087	1	34	-2.0	-107.61	322.54	4.29	-103.32
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1F	REAL300000416088	0	35	-2.0	-116.06	318.59	5.33	-110.73
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000416089	0	36	-2.0	-124.90	337.55	4.46	-120.44
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)N(CC2CC2)N=C1C	REAL300000416090	0	45	-2.0	-110.72	389.36	5.84	-104.88
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C(C)C=CN=C12	REAL300000416091	0	40	-2.0	-127.94	357.06	5.56	-122.38
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000416092	0	33	-2.0	-118.52	323.94	2.69	-115.83
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416093	0	35	-2.0	-108.41	323.74	1.86	-106.55
COCCOCCOCCS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416094	0	46	-2.0	-110.75	407.02	1.73	-109.02
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300000416095	0	38	-2.0	-108.93	340.66	3.81	-105.12
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300000416096	0	42	-2.0	-111.34	370.18	4.23	-107.11
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416097	0	41	-2.0	-126.05	366.27	6.70	-119.35
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(NC(C)=O)S1	REAL300000416098	0	35	-2.0	-114.95	344.12	1.88	-113.07
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300000416098	1	34	-3.0	-170.36	340.83	0.74	-169.62
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000416099	0	36	-2.0	-114.96	332.01	5.65	-109.31
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000416100	0	36	-2.0	-117.80	341.42	5.54	-112.26
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000416101	0	32	-2.0	-106.40	329.03	5.45	-100.95
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300000416102	0	38	-2.0	-105.19	335.69	6.13	-99.06
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300000416103	0	33	-2.0	-101.90	306.71	1.75	-100.15
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416104	0	36	-2.0	-115.42	344.16	4.68	-110.74
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000416105	0	33	-2.0	-107.35	326.67	3.16	-104.19
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416106	0	39	-2.0	-114.36	344.14	4.45	-109.91
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CCCCC1	REAL300000416107	1	36	-2.0	-110.63	314.50	4.66	-105.97
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000416108	0	30	-2.0	-103.10	311.68	3.93	-99.17
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1	REAL300000416109	0	34	-2.0	-109.05	315.77	3.21	-105.84
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000416110	0	37	-2.0	-111.49	340.35	4.75	-106.74
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300000416111	0	36	-2.0	-104.79	339.16	5.27	-99.52
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000416112	0	31	-2.0	-97.89	316.91	3.07	-94.82
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CC(C)OC	REAL300000416113	0	35	-2.0	-111.49	314.72	2.34	-109.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C(F)=C1	REAL300000416114	0	36	-2.0	-113.37	334.15	3.74	-109.63
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300000416115	0	40	-2.0	-123.90	359.95	7.57	-116.33
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300000416116	0	38	-2.0	-111.03	344.90	4.89	-106.14
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000416117	0	35	-2.0	-109.40	331.37	5.25	-104.15
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=NN1C	REAL300000416119	0	35	-2.0	-104.47	316.03	2.85	-101.62
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000416120	0	30	-2.0	-103.48	303.09	2.93	-100.55
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000416121	0	29	-2.0	-108.45	290.28	3.29	-105.16
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000416122	0	29	-2.0	-108.74	281.70	2.26	-106.48
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416123	0	43	-2.0	-121.08	382.50	3.89	-117.19
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000416124	0	37	-3.0	-163.97	343.64	5.48	-158.49
COC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000416124	1	38	-2.0	-103.28	341.82	5.34	-97.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=N1	REAL300000416125	0	35	-2.0	-105.29	326.35	1.07	-104.22
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000416126	0	32	-2.0	-111.32	321.40	4.96	-106.36
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300000416127	0	35	-2.0	-113.62	335.69	5.76	-107.86
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300000416128	0	43	-2.0	-124.07	376.90	5.61	-118.46
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000416129	0	35	-2.0	-116.51	325.77	3.02	-113.49
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416130	0	39	-2.0	-114.13	350.52	4.61	-109.52
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000416131	0	32	-2.0	-112.93	321.51	5.25	-107.68
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300000416132	0	41	-2.0	-114.41	366.47	7.32	-107.09
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000416133	0	29	-2.0	-111.14	307.15	3.83	-107.31
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CS1	REAL300000416134	0	32	-2.0	-110.31	312.74	4.04	-106.27
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000416135	0	29	-2.0	-107.30	297.46	1.19	-106.11
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000416136	0	31	-2.0	-105.80	306.07	2.50	-103.30
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000416137	0	41	-2.0	-106.22	363.61	3.44	-102.78
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000416138	0	41	-2.0	-105.69	368.34	2.94	-102.75
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300000416139	0	40	-2.0	-110.00	359.71	5.35	-104.65
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000416140	0	35	-2.0	-107.51	335.35	4.84	-102.67
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416141	0	37	-2.0	-121.17	340.26	3.98	-117.19
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=NS1	REAL300000416142	0	31	-2.0	-104.17	307.66	2.68	-101.49
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC(=O)S1	REAL300000416143	0	29	-2.0	-104.37	296.00	0.26	-104.11
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000416144	0	39	-2.0	-111.72	348.40	6.49	-105.23
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000416145	0	29	-2.0	-113.51	297.45	3.42	-110.09
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300000416146	0	35	-2.0	-110.84	337.81	3.23	-107.61
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000416147	0	41	-2.0	-111.18	364.01	5.98	-105.20
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000416148	0	33	-2.0	-102.17	325.89	4.81	-97.36
COCC1(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)CC1	REAL300000416149	0	36	-2.0	-115.90	320.71	3.39	-112.51
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)N=S(C)(C)=O	REAL300000416150	0	32	-2.0	-134.70	304.52	0.31	-134.39
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000416151	0	32	-2.0	-103.13	331.75	4.57	-98.56
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000416152	0	29	-2.0	-112.45	280.79	0.96	-111.49
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000416153	0	37	-2.0	-116.96	336.16	1.31	-115.65
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)S1	REAL300000416154	0	35	-2.0	-112.67	329.28	5.01	-107.66
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=CN=C1C	REAL300000416155	0	40	-2.0	-103.86	365.40	3.73	-100.13
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000416156	0	34	-2.0	-102.60	326.72	3.75	-98.85
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416157	0	41	-2.0	-118.61	376.12	5.82	-112.79
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)CC1	REAL300000416158	0	41	-2.0	-119.54	365.98	5.84	-113.70
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1	REAL300000416159	0	35	-2.0	-110.22	319.83	2.62	-107.60
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000416160	0	36	-2.0	-112.36	330.27	5.47	-106.89
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C	REAL300000416161	0	35	-2.0	-109.81	322.55	2.73	-107.08
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000416162	0	32	-2.0	-108.06	314.81	1.91	-106.15
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000416163	0	38	-2.0	-104.65	345.46	4.31	-100.34
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300000416164	0	39	-2.0	-117.18	355.17	4.13	-113.05
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=CC=C1Cl	REAL300000416165	0	36	-2.0	-105.54	344.69	4.24	-101.30
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000416166	0	34	-3.0	-183.01	331.27	4.97	-178.04
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000416167	0	29	-2.0	-115.71	299.63	2.32	-113.39
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000416168	0	34	-2.0	-122.59	330.37	3.80	-118.79
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000416169	0	37	-2.0	-114.47	334.98	4.22	-110.25
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000416170	0	38	-2.0	-119.46	349.69	6.70	-112.76
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000416171	0	35	-2.0	-112.72	325.73	5.90	-106.82
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000416172	0	37	-2.0	-121.77	335.48	4.22	-117.55
CCC(CS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC)OC	REAL300000416173	0	38	-2.0	-111.01	331.51	3.01	-108.00
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CC(CC1=CC=CC=C1)OC	REAL300000416174	0	45	-2.0	-112.75	387.85	5.79	-106.96
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CC(CC(C)C)OC	REAL300000416175	0	44	-2.0	-111.41	368.58	4.25	-107.16
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CCOCC1CC1	REAL300000416176	0	39	-2.0	-106.17	349.59	3.72	-102.45
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F	REAL300000416177	0	35	-2.0	-118.60	329.08	5.35	-113.25
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000416178	0	31	-2.0	-104.04	324.21	3.58	-100.46
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000416179	0	37	-2.0	-111.07	343.02	2.85	-108.22
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CC(OC)C1CC1	REAL300000416180	0	39	-2.0	-111.36	341.98	3.74	-107.62
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416181	0	36	-2.0	-115.56	333.83	4.23	-111.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1[N+](=O)[O-]	REAL300000416182	0	40	-2.0	-110.15	361.56	6.23	-103.92
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CC(OC)C1CCOCC1	REAL300000416183	0	46	-2.0	-112.77	381.02	3.02	-109.75
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(OC)C(Cl)=C1	REAL300000416184	0	35	-2.0	-102.22	342.43	1.62	-100.60
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CON=C1C	REAL300000416185	0	31	-2.0	-102.11	296.12	2.34	-99.77
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300000416186	0	35	-2.0	-106.57	334.65	5.48	-101.09
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000416187	0	38	-2.0	-120.70	347.29	5.37	-115.33
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1	REAL300000416188	0	34	-2.0	-117.87	333.75	5.57	-112.30
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)N=S(C)(=O)N(C)C	REAL300000416189	0	37	-2.0	-124.64	340.82	0.32	-124.32
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000416190	0	35	-2.0	-106.66	341.17	2.57	-104.09
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000416191	0	31	-2.0	-113.54	299.67	2.56	-110.98
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CCC1CCCC1	REAL300000416192	1	41	-2.0	-109.10	348.09	5.50	-103.60
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000416193	0	31	-2.0	-101.96	300.58	2.54	-99.42
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CCOCC1CCC1	REAL300000416194	0	42	-2.0	-106.18	366.15	4.25	-101.93
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CC(OC)C(C)C	REAL300000416195	0	41	-2.0	-107.18	347.80	3.35	-103.83
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000416196	0	32	-2.0	-103.07	321.76	4.95	-98.12
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000416197	0	41	-2.0	-118.08	360.90	4.75	-113.33
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000416198	0	40	-2.0	-121.72	351.37	5.60	-116.12
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300000416201	0	39	-2.0	-122.25	355.10	1.82	-120.43
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(=O)NC1=O	REAL300000416202	0	35	-2.0	-114.52	327.58	1.08	-113.44
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CC1(OC(C)C)CCOC1	REAL300000416203	0	46	-2.0	-113.49	375.04	3.39	-110.10
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)N(C)N=C1	REAL300000416204	0	38	-2.0	-111.46	348.40	3.45	-108.01
CCOC(CS(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC)C1CC1	REAL300000416205	0	42	-2.0	-111.93	362.59	4.71	-107.22
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416206	0	45	-2.0	-114.57	389.21	6.04	-108.53
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CC(OC)C1CCCC1	REAL300000416207	0	45	-2.0	-110.62	375.91	4.73	-105.89
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CC(OC)C1CCCCC1	REAL300000416208	0	48	-2.0	-109.23	389.43	5.23	-104.00
CCC1=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=CN1CC1CC1	REAL300000416209	0	45	-2.0	-121.47	398.04	6.32	-115.15
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)O1	REAL300000416210	0	38	-2.0	-105.91	356.61	3.76	-102.15
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000416211	0	35	-2.0	-108.26	338.92	3.88	-104.38
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300000416212	0	40	-2.0	-107.25	363.24	6.70	-100.55
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300000416213	0	35	-2.0	-98.05	340.78	3.00	-95.05
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000416214	0	31	-2.0	-106.46	316.53	2.99	-103.47
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1F	REAL300000416215	0	35	-2.0	-113.87	331.25	5.16	-108.71
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)OC=C1	REAL300000416216	0	35	-2.0	-119.23	332.56	3.75	-115.48
CCC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C(C)C=C1OC	REAL300000416217	0	45	-2.0	-112.05	385.40	5.95	-106.10
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000416218	0	34	-2.0	-125.11	327.53	3.27	-121.84
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C(C)=N1	REAL300000416219	0	44	-2.0	-109.51	387.08	5.14	-104.37
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000416220	0	33	-3.0	-174.99	324.61	2.99	-172.00
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300000416221	0	36	-2.0	-111.66	331.96	4.51	-107.15
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000416222	0	44	-2.0	-108.80	377.39	6.64	-102.16
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000416223	0	33	-2.0	-103.21	326.38	4.85	-98.36
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300000416224	0	35	-2.0	-106.51	332.32	3.01	-103.50
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000416225	0	34	-2.0	-109.91	322.44	3.43	-106.48
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000416225	1	34	-2.0	-123.03	322.34	3.57	-119.46
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300000416226	0	36	-2.0	-118.87	332.91	4.35	-114.52
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000416227	0	42	-2.0	-107.96	360.17	4.50	-103.46
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000416228	0	44	-2.0	-109.30	367.53	5.00	-104.30
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000416229	0	42	-2.0	-109.03	366.58	4.73	-104.30
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000416230	0	33	-2.0	-110.53	315.36	2.14	-108.39
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000416230	1	32	-3.0	-190.87	311.79	3.00	-187.87
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000416231	0	42	-2.0	-111.56	376.39	7.16	-104.40
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416232	0	35	-2.0	-125.98	331.46	1.96	-124.02
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416233	0	38	-2.0	-109.93	342.02	3.53	-106.40
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1	REAL300000416234	0	37	-2.0	-111.18	344.96	4.87	-106.31
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000416235	0	32	-2.0	-104.28	304.37	1.74	-102.54
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000416236	0	35	-2.0	-107.39	338.38	5.34	-102.05
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300000416237	1	36	-2.0	-107.92	347.81	6.08	-101.84
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000416238	0	39	-2.0	-115.64	362.97	6.33	-109.31
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300000416239	0	38	-2.0	-105.98	346.02	6.56	-99.42
COC1=NSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416240	0	32	-2.0	-101.48	318.42	0.18	-101.30
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CC1CCCC(C)(C)O1	REAL300000416241	0	45	-2.0	-115.49	371.22	4.58	-110.91
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000416242	0	28	-2.0	-104.16	285.91	2.08	-102.08
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300000416243	1	36	-2.0	-111.76	345.32	5.99	-105.77
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000416244	0	38	-3.0	-168.81	355.83	4.74	-164.07
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300000416245	0	36	-2.0	-110.44	338.68	-0.01	-110.45
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416246	0	41	-2.0	-112.22	350.88	6.88	-105.34
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000416247	0	32	-2.0	-109.62	314.53	4.43	-105.19
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000416248	0	31	-3.0	-163.80	327.74	3.91	-159.89
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000416249	0	37	-2.0	-120.49	335.41	4.88	-115.61
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416250	0	39	-2.0	-112.67	360.58	4.58	-108.09
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000416251	0	33	-2.0	-114.01	324.99	4.80	-109.21
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000416252	0	39	-2.0	-109.19	349.07	4.06	-105.13
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000416253	0	39	-2.0	-105.96	346.46	4.28	-101.68
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000416254	0	42	-2.0	-106.04	368.57	4.98	-101.06
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300000416255	0	43	-2.0	-116.96	374.21	2.39	-114.57
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000416256	0	38	-2.0	-109.52	349.89	1.61	-107.91
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000416257	0	29	-2.0	-109.64	303.27	2.98	-106.66
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(OC)C(F)=C1	REAL300000416258	0	36	-2.0	-101.30	345.05	3.93	-97.37
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000416259	0	39	-2.0	-112.18	343.55	4.40	-107.78
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000416260	0	36	-2.0	-109.33	340.37	3.82	-105.51
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC=C1C	REAL300000416261	0	35	-2.0	-108.03	322.07	5.09	-102.94
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000416262	0	40	-2.0	-122.87	356.42	4.97	-117.90
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000416263	0	40	-2.0	-108.29	367.84	4.05	-104.24
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300000416264	0	40	-2.0	-114.04	367.37	6.60	-107.44
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300000416265	0	36	-2.0	-114.23	335.65	5.05	-109.18
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000416266	0	29	-2.0	-109.39	304.60	3.82	-105.57
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000416267	0	34	-2.0	-102.20	333.07	3.54	-98.66
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300000416268	0	37	-2.0	-125.75	340.89	3.98	-121.77
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000416269	0	33	-2.0	-101.00	314.05	3.17	-97.83
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000416270	0	35	-2.0	-113.33	338.01	5.82	-107.51
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000416271	0	35	-2.0	-125.47	344.08	4.09	-121.38
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000416272	0	39	-2.0	-104.90	351.11	4.11	-100.79
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300000416273	0	41	-2.0	-108.97	354.92	6.73	-102.24
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300000416274	0	40	-2.0	-116.47	354.96	4.29	-112.18
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C21	REAL300000416275	0	35	-2.0	-113.69	328.94	4.67	-109.02
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300000416276	0	45	-2.0	-113.33	387.92	5.29	-108.04
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000416277	0	39	-2.0	-112.42	354.45	4.32	-108.10
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300000416278	0	36	-2.0	-111.24	338.43	3.96	-107.28
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000416279	0	35	-2.0	-119.07	328.61	3.58	-115.49
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000416280	0	37	-2.0	-128.81	343.71	2.78	-126.03
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000416281	0	39	-2.0	-113.27	339.72	6.36	-106.91
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(N)C(C)=C1	REAL300000416282	0	36	-2.0	-111.17	327.18	2.09	-109.08
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416283	0	32	-2.0	-108.89	316.47	0.26	-108.63
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)NC=N1	REAL300000416284	0	32	-2.0	-118.75	298.29	2.49	-116.26
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000416286	0	35	-2.0	-109.93	332.89	4.76	-105.17
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000416287	0	42	-2.0	-112.65	370.68	4.79	-107.86
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000416288	0	29	-2.0	-108.91	304.97	3.92	-104.99
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000416289	0	42	-2.0	-109.56	373.14	5.03	-104.53
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000416290	0	36	-2.0	-115.76	336.18	5.56	-110.20
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416291	0	41	-2.0	-113.46	363.56	6.59	-106.87
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416292	0	38	-2.0	-103.08	355.45	2.72	-100.36
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000416293	0	39	-2.0	-108.69	344.89	3.91	-104.78
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C	REAL300000416294	0	38	-2.0	-112.35	329.30	6.06	-106.29
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000416295	0	41	-2.0	-103.80	346.21	4.28	-99.52
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000416296	0	41	-2.0	-109.83	363.66	4.10	-105.73
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000416297	0	39	-2.0	-109.87	347.75	3.48	-106.39
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000416298	0	43	-2.0	-108.89	373.44	5.19	-103.70
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000416299	0	35	-2.0	-111.64	327.18	5.20	-106.44
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000416300	0	32	-2.0	-110.42	320.70	4.76	-105.66
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000416301	0	32	-2.0	-103.62	330.91	4.48	-99.14
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=NN1C	REAL300000416302	0	35	-2.0	-104.33	321.35	2.59	-101.74
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C	REAL300000416304	0	38	-2.0	-113.23	331.66	5.68	-107.55
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000416305	0	35	-2.0	-121.62	320.16	5.67	-115.95
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416306	0	43	-2.0	-121.55	383.75	6.41	-115.14
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300000416307	1	43	-2.0	-114.55	367.84	7.47	-107.08
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(COC(C)=O)C=C1	REAL300000416308	0	41	-2.0	-112.18	377.62	6.04	-106.14
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000416309	0	33	-2.0	-111.34	331.78	5.23	-106.11
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000416310	0	32	-2.0	-111.56	319.18	4.62	-106.94
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000416311	0	39	-2.0	-113.42	348.39	6.49	-106.93
COC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=CS1	REAL300000416312	0	33	-2.0	-115.63	321.43	2.82	-112.81
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000416313	0	39	-2.0	-114.70	353.89	6.55	-108.15
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000416314	0	42	-2.0	-106.40	363.98	4.99	-101.41
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416315	0	41	-2.0	-105.66	359.10	4.29	-101.37
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000416316	0	41	-2.0	-118.01	370.40	1.90	-116.11
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000416317	0	37	-2.0	-121.19	342.77	2.74	-118.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)O1	REAL300000416318	0	35	-2.0	-110.73	325.25	3.99	-106.74
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000416319	0	32	-2.0	-103.84	323.02	3.61	-100.23
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1OC	REAL300000416320	0	36	-2.0	-108.19	340.12	4.29	-103.90
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000416321	0	38	-2.0	-111.52	352.38	5.91	-105.61
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000416322	0	36	-2.0	-111.25	338.42	3.96	-107.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)S1	REAL300000416323	0	33	-2.0	-108.52	322.96	2.83	-105.69
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000416324	0	35	-2.0	-106.85	331.84	3.08	-103.77
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416325	0	42	-2.0	-114.37	376.09	5.07	-109.30
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000416326	0	45	-2.0	-108.67	385.55	5.33	-103.34
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000416327	0	35	-2.0	-114.52	320.81	5.29	-109.23
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN21	REAL300000416328	0	35	-2.0	-113.95	324.67	4.79	-109.16
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000416329	0	34	-2.0	-112.98	330.11	3.77	-109.21
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=N1	REAL300000416330	0	34	-2.0	-108.59	319.88	1.26	-107.33
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1Cl	REAL300000416331	0	35	-2.0	-106.99	340.83	3.31	-103.68
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000416332	0	29	-2.0	-104.80	298.91	3.00	-101.80
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300000416333	0	41	-2.0	-121.16	357.93	7.22	-113.94
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300000416334	0	39	-2.0	-111.89	357.09	4.75	-107.14
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000416335	0	32	-2.0	-106.10	326.68	4.99	-101.11
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300000416336	1	36	-2.0	-107.22	337.49	5.63	-101.59
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000416337	0	36	-2.0	-111.56	342.98	5.69	-105.87
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300000416338	0	35	-2.0	-102.33	344.62	5.19	-97.14
COC1=CC=C(C=C(C)S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1	REAL300000416339	1	43	-2.0	-110.33	376.80	5.49	-104.84
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CO1	REAL300000416340	0	32	-2.0	-110.06	303.75	3.06	-107.00
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=NN1	REAL300000416341	0	38	-2.0	-109.18	359.53	2.17	-107.01
COC1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1OC	REAL300000416342	0	37	-2.0	-113.14	352.17	2.40	-110.74
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000416343	0	31	-2.0	-97.56	316.80	3.02	-94.54
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000416344	0	38	-2.0	-109.19	343.59	4.32	-104.87
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000416345	0	39	-2.0	-118.28	352.90	6.14	-112.14
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000416346	0	32	-2.0	-106.67	319.02	2.44	-104.23
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000416347	0	38	-2.0	-124.30	337.01	6.20	-118.10
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000416348	0	30	-2.0	-111.72	303.33	2.82	-108.90
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300000416349	0	34	-2.0	-102.95	326.92	3.78	-99.17
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416350	0	43	-2.0	-114.88	382.50	5.99	-108.89
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C(C2CC2)=N1	REAL300000416351	0	42	-2.0	-112.60	375.97	5.18	-107.42
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300000416352	0	36	-2.0	-118.78	337.41	3.73	-115.05
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)NC(=O)NC1=O	REAL300000416353	0	35	-2.0	-113.76	322.23	0.11	-113.65
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300000416354	0	45	-2.0	-107.27	385.86	5.60	-101.67
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000416355	0	29	-2.0	-108.06	297.95	2.89	-105.17
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000416356	0	29	-2.0	-105.43	307.98	3.89	-101.54
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000416357	0	40	-2.0	-105.83	351.48	2.13	-103.70
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000416358	0	39	-2.0	-116.25	342.72	6.54	-109.71
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C(C)=N1	REAL300000416361	0	38	-2.0	-105.26	342.01	1.81	-103.45
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CN=C1OC	REAL300000416362	0	38	-2.0	-115.65	346.58	2.21	-113.44
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300000416363	0	35	-2.0	-109.71	341.89	2.05	-107.66
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300000416364	0	38	-2.0	-106.12	346.49	1.80	-104.32
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000416365	0	41	-2.0	-108.95	362.11	4.53	-104.42
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300000416366	0	41	-2.0	-110.09	362.75	4.12	-105.97
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000416367	0	30	-2.0	-111.09	302.11	2.79	-108.30
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000416368	0	30	-2.0	-114.30	308.63	3.76	-110.54
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000416369	0	38	-2.0	-105.03	340.91	3.64	-101.39
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C1C	REAL300000416370	0	40	-2.0	-103.77	365.94	3.76	-100.01
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300000416371	0	35	-2.0	-117.73	341.06	6.18	-111.55
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000416372	0	39	-2.0	-104.96	351.38	4.52	-100.44
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000416373	0	39	-2.0	-110.46	351.12	5.59	-104.87
COC1=NOC(CS(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)=C1	REAL300000416374	0	35	-2.0	-107.91	330.23	0.70	-107.21
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300000416375	0	41	-2.0	-110.83	363.66	4.13	-106.70
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000416376	0	34	-2.0	-111.45	328.40	3.50	-107.95
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)CC1CC(C(C)C)C1	REAL300000416377	1	44	-2.0	-110.88	369.15	6.04	-104.84
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300000416378	0	36	-2.0	-113.50	349.63	4.85	-108.65
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000416379	0	33	-2.0	-112.30	310.18	1.53	-110.77
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416380	0	41	-2.0	-115.80	358.93	6.19	-109.61
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000416381	0	35	-2.0	-114.60	336.84	5.31	-109.29
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000416382	0	28	-2.0	-102.49	284.82	1.99	-100.50
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000416383	0	36	-2.0	-121.52	347.06	3.65	-117.87
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1OC	REAL300000416384	0	37	-2.0	-119.50	339.96	3.97	-115.53
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300000416385	0	40	-2.0	-128.56	356.87	5.55	-123.01
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2OC)C=C(C(=O)[O-])O1	REAL300000416386	0	37	-3.0	-170.23	349.76	4.94	-165.29
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300000416387	0	45	-2.0	-121.82	388.63	6.38	-115.44
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300000416388	0	32	-2.0	-105.07	325.72	4.77	-100.30
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000416389	0	28	-2.0	-106.73	285.76	1.50	-105.23
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000416390	0	39	-2.0	-111.77	344.90	3.70	-108.07
COC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000416391	0	35	-2.0	-116.56	326.08	5.11	-111.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=CC=C1F	REAL300000416392	0	34	-2.0	-113.14	334.51	5.56	-107.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1	REAL300000416393	0	34	-2.0	-103.22	329.97	5.55	-97.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C1	REAL300000416394	0	34	-2.0	-115.65	329.98	5.54	-110.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=C2F)N=C1	REAL300000416395	0	38	-2.0	-121.04	358.12	5.35	-115.69
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1	REAL300000416396	0	38	-2.0	-102.67	361.43	6.84	-95.83
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000416397	0	37	-2.0	-116.70	346.00	6.06	-110.64
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C1	REAL300000416398	0	34	-2.0	-111.31	343.05	6.10	-105.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=CC=C1Cl	REAL300000416399	0	34	-2.0	-111.44	342.48	5.92	-105.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C1C	REAL300000416400	0	40	-2.0	-118.32	362.37	6.85	-111.47
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C1	REAL300000416401	0	34	-2.0	-112.75	335.46	5.59	-107.16
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1	REAL300000416402	0	40	-2.0	-101.91	373.55	7.12	-94.79
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C1	REAL300000416403	0	31	-2.0	-109.82	323.16	4.56	-105.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=C2F)N=C1	REAL300000416404	0	37	-2.0	-116.49	345.41	6.32	-110.17
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1	REAL300000416405	0	38	-2.0	-101.38	361.05	5.81	-95.57
CN1C=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000416406	0	35	-2.0	-114.07	336.62	4.90	-109.17
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=C2F)N=C1	REAL300000416407	0	38	-2.0	-116.96	354.18	4.36	-112.60
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C1	REAL300000416408	0	34	-2.0	-105.95	339.08	5.22	-100.73
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000416409	0	40	-2.0	-117.92	361.04	6.89	-111.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=CS1	REAL300000416410	0	31	-2.0	-111.29	321.63	4.57	-106.72
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000416411	0	38	-2.0	-121.52	357.27	5.61	-115.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=C2F)N=C1	REAL300000416412	0	40	-2.0	-114.78	360.13	7.24	-107.54
CC1=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C(C(=O)[O-])O1	REAL300000416413	0	34	-2.0	-109.43	332.98	4.69	-104.74
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C1	REAL300000416414	0	38	-2.0	-116.75	358.96	4.64	-112.11
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=C2F)N=C1	REAL300000416415	0	37	-2.0	-107.03	350.68	6.37	-100.66
CC1=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C(C(=O)[O-])S1	REAL300000416416	0	34	-2.0	-112.73	339.67	5.43	-107.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C(Cl)=C1	REAL300000416417	0	34	-2.0	-100.87	343.03	6.10	-94.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1F	REAL300000416418	0	34	-2.0	-102.72	334.50	5.58	-97.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)S1	REAL300000416419	0	31	-2.0	-104.77	322.25	4.66	-100.11
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C1	REAL300000416420	0	34	-2.0	-106.45	336.38	5.61	-100.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C1F	REAL300000416421	0	37	-2.0	-114.11	355.74	6.24	-107.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C(F)=C1	REAL300000416422	0	34	-2.0	-102.55	335.44	5.61	-96.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1Cl	REAL300000416423	0	34	-2.0	-100.73	342.47	5.94	-94.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=CC(F)=C1F	REAL300000416424	0	34	-2.0	-104.70	340.80	5.63	-99.07
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C1	REAL300000416425	0	35	-2.0	-115.38	339.69	3.27	-112.11
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1	REAL300000416426	0	37	-2.0	-106.58	352.15	6.31	-100.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=C2F)N=C1	REAL300000416427	0	37	-2.0	-111.89	340.04	6.16	-105.73
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=CC(C(=O)[O-])=C1F	REAL300000416428	0	37	-2.0	-114.45	354.81	6.19	-108.26
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=C2F)N=C1	REAL300000416429	0	37	-2.0	-103.44	345.39	6.32	-97.12
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=CC(C(=O)[O-])=C1C	REAL300000416430	0	40	-2.0	-119.95	366.78	6.70	-113.25
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C1	REAL300000416431	0	34	-2.0	-104.36	341.73	5.67	-98.69
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C(C)=C1C(=O)[O-]	REAL300000416432	0	40	-2.0	-116.04	364.45	6.92	-109.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000416433	0	37	-2.0	-113.88	351.45	6.14	-107.74
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C1	REAL300000416434	0	37	-2.0	-120.36	355.01	6.22	-114.14
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000416435	0	40	-2.0	-117.44	363.94	6.73	-110.71
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000416436	0	38	-2.0	-115.40	358.00	5.76	-109.64
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=CC=C1C(=O)[O-]	REAL300000416437	0	37	-2.0	-104.87	350.05	6.18	-98.69
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=C2F)N=C1	REAL300000416438	0	37	-2.0	-113.84	349.93	6.34	-107.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C1F	REAL300000416439	0	34	-2.0	-119.58	333.64	5.58	-114.00
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000416440	0	37	-2.0	-108.27	354.92	6.22	-102.05
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C1	REAL300000416441	0	33	-2.0	-113.11	326.20	3.67	-109.44
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=C2F)N=C1	REAL300000416442	0	38	-2.0	-107.43	358.18	5.35	-102.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)=C(Cl)O1	REAL300000416443	0	31	-2.0	-103.28	330.12	4.52	-98.76
CCC1=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3F)N=C2)C=C(C(=O)[O-])O1	REAL300000416444	0	37	-2.0	-109.27	352.11	5.53	-103.74
CC1(C)CC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000416447	1	47	-2.0	-112.97	385.92	8.87	-104.10
CC1(C)CC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C21	REAL300000416450	0	47	-2.0	-110.23	391.40	8.93	-101.30
CC1(C)CC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000416451	0	44	-2.0	-106.77	379.10	7.88	-98.89
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(C)(C)CC3(C)C)C=C1C(=O)[O-]	REAL300000416453	1	48	-2.0	-111.21	392.56	8.21	-103.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(C)(C)CC3(C)C)=C1	REAL300000416454	0	47	-2.0	-102.76	395.06	8.55	-94.21
CC1(C)CC(C)(C)C2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000416455	1	44	-2.0	-108.28	377.57	7.90	-100.38
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(C)(C)CC3(C)C)C=C(C(=O)[O-])O1	REAL300000416456	0	47	-2.0	-106.04	388.95	8.00	-98.04
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(C)(C)CC3(C)C)C=C(C(=O)[O-])S1	REAL300000416457	1	47	-2.0	-109.75	394.52	8.76	-100.99
CC1(C)CC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000416458	1	47	-2.0	-98.81	390.44	8.91	-89.90
CC1(C)CC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000416459	0	44	-2.0	-101.42	378.18	8.00	-93.42
CC1(C)CC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000416460	1	47	-2.0	-103.30	392.35	8.94	-94.36
CC1(C)CC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300000416461	0	47	-2.0	-99.20	391.41	8.94	-90.26
CC1(C)CC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C21	REAL300000416462	0	48	-2.0	-112.40	395.63	6.58	-105.82
CC1(C)CC(C)(C)C2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C21	REAL300000416462	1	48	-2.0	-107.30	384.64	7.47	-99.83
CC1(C)CC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C21	REAL300000416463	1	50	-2.0	-104.47	408.10	9.64	-94.83
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(C)(C)CC3(C)C)C=C1C(=O)[O-]	REAL300000416466	1	51	-2.0	-112.53	413.94	9.08	-103.45
CC1(C)CC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000416468	0	47	-2.0	-117.28	389.58	8.89	-108.39
CC1(C)CC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000416469	0	46	-2.0	-109.88	382.91	6.92	-102.96
CC1(C)CC(C)(C)C2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C21	REAL300000416470	0	44	-2.0	-99.75	386.10	7.85	-91.90
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(C)(C)CC3(C)C)C=C(C(=O)[O-])O1	REAL300000416471	0	50	-2.0	-105.83	408.08	8.85	-96.98
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000416472	0	34	-2.0	-100.83	335.50	5.32	-95.51
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000416473	0	34	-2.0	-91.22	330.94	5.31	-85.91
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000416474	0	34	-2.0	-102.87	330.95	5.29	-97.58
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1C	REAL300000416475	0	38	-2.0	-107.34	359.10	5.10	-102.24
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C	REAL300000416476	0	38	-2.0	-90.87	362.42	6.59	-84.28
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000416477	0	37	-2.0	-103.88	346.98	5.83	-98.05
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C	REAL300000416478	0	34	-2.0	-98.15	344.03	5.87	-92.28
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000416479	0	34	-2.0	-98.97	343.48	5.69	-93.28
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C	REAL300000416480	0	40	-2.0	-105.23	363.63	6.65	-98.58
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000416481	0	34	-2.0	-99.42	336.42	5.37	-94.05
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300000416482	0	40	-2.0	-89.82	374.53	6.88	-82.94
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000416483	0	31	-2.0	-97.49	324.15	4.34	-93.15
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000416484	0	37	-2.0	-103.25	346.39	6.08	-97.17
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C	REAL300000416485	0	38	-2.0	-89.59	362.04	5.58	-84.01
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000416486	0	35	-2.0	-101.28	337.61	4.64	-96.64
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1C	REAL300000416487	0	38	-2.0	-103.62	355.16	4.11	-99.51
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000416488	0	34	-2.0	-93.75	340.07	5.00	-88.75
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1C	REAL300000416489	0	40	-2.0	-104.32	362.42	6.61	-97.71
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000416490	0	31	-2.0	-98.87	322.60	4.32	-94.55
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1C	REAL300000416491	0	38	-2.0	-108.73	358.25	5.36	-103.37
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C	REAL300000416492	0	43	-2.0	-105.08	384.86	7.31	-97.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C(C(=O)OC)=CS1	REAL300000416493	0	40	-2.0	-101.64	361.08	7.03	-94.61
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1C	REAL300000416494	0	41	-2.0	-108.34	381.39	5.87	-102.47
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000416495	0	36	-3.0	-177.38	359.35	5.86	-171.52
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C	REAL300000416496	0	41	-2.0	-106.98	375.20	7.19	-99.79
COC(=O)C1=CSC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000416497	0	34	-2.0	-96.88	333.96	4.44	-92.44
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C	REAL300000416498	0	38	-2.0	-104.67	359.88	4.41	-100.26
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1C	REAL300000416499	0	41	-2.0	-89.95	382.12	6.28	-83.67
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C	REAL300000416500	0	37	-2.0	-94.33	351.67	6.11	-88.22
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C(C(=O)OC)=CS2)C=C1C(=O)[O-]	REAL300000416501	0	41	-2.0	-109.48	380.11	6.28	-103.20
COC(=O)C1=CSC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000416502	0	34	-2.0	-99.81	340.66	5.20	-94.61
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000416503	0	34	-2.0	-88.90	344.01	5.85	-83.05
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000416504	0	34	-2.0	-90.96	335.48	5.33	-85.63
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000416505	0	31	-2.0	-92.62	323.22	4.44	-88.18
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000416506	0	34	-2.0	-94.08	337.37	5.37	-88.71
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C	REAL300000416507	0	37	-2.0	-100.87	356.70	6.00	-94.87
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000416508	0	34	-2.0	-90.52	336.42	5.36	-85.16
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000416509	0	34	-2.0	-88.87	343.46	5.70	-83.17
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000416510	0	34	-2.0	-92.67	341.78	5.39	-87.28
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C	REAL300000416511	0	34	-3.0	-195.98	337.09	3.91	-192.07
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000416511	1	35	-2.0	-101.84	340.67	3.02	-98.82
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000416512	0	37	-2.0	-93.82	353.13	6.08	-87.74
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000416513	0	37	-2.0	-99.77	340.99	5.95	-93.82
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000416514	0	37	-2.0	-102.00	355.79	5.95	-96.05
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1C	REAL300000416515	0	37	-2.0	-91.43	346.37	6.07	-85.36
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000416516	0	40	-2.0	-105.68	363.83	6.36	-99.32
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C	REAL300000416517	0	34	-2.0	-91.71	342.69	5.42	-86.29
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C	REAL300000416518	0	40	-2.0	-104.20	364.49	6.71	-97.49
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C	REAL300000416519	0	37	-2.0	-101.70	356.28	6.00	-95.70
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C	REAL300000416520	0	37	-2.0	-108.21	356.00	6.00	-102.21
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C(C(=O)OC)=CS2)C=C1C(=O)[O-]	REAL300000416521	0	40	-2.0	-104.56	365.28	6.48	-98.08
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1C	REAL300000416522	0	41	-2.0	-104.06	381.44	5.43	-98.63
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C(C(=O)OC)=CS2)C=C1C(=O)[O-]	REAL300000416523	0	38	-2.0	-102.56	358.99	5.51	-97.05
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000416524	0	37	-2.0	-91.23	346.95	5.84	-85.39
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1C	REAL300000416525	0	37	-2.0	-101.29	350.50	6.13	-95.16
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000416526	0	34	-2.0	-107.55	334.59	5.32	-102.23
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000416527	0	37	-2.0	-94.76	352.12	5.87	-88.89
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000416528	0	33	-2.0	-99.30	327.95	3.36	-95.94
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1C	REAL300000416529	0	38	-2.0	-94.98	359.16	5.11	-89.87
COC(=O)C1=CSC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C	REAL300000416530	0	31	-2.0	-91.14	331.05	4.27	-86.87
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C	REAL300000416531	0	41	-2.0	-97.20	377.08	7.18	-90.02
COC(=O)C1=CSC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C	REAL300000416532	0	41	-2.0	-100.71	375.03	7.16	-93.55
CCC1=C(S(=O)(=O)[N-]C2=C(C)C(C(=O)OC)=CS2)C=C(C(=O)[O-])O1	REAL300000416533	0	37	-2.0	-96.66	353.07	5.29	-91.37
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416534	1	37	-2.0	-110.42	340.14	6.47	-103.95
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416535	1	34	-2.0	-113.03	324.72	5.69	-107.34
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1F	REAL300000416538	0	28	-2.0	-116.88	278.45	5.32	-111.56
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1F	REAL300000416539	0	31	-2.0	-104.07	306.10	4.72	-99.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1F	REAL300000416540	0	27	-2.0	-100.51	281.79	3.67	-96.84
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416541	1	29	-2.0	-107.04	290.78	5.43	-101.61
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416542	1	29	-2.0	-102.82	290.76	5.43	-97.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1F	REAL300000416543	0	28	-2.0	-103.44	292.16	5.62	-97.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)C=C1F	REAL300000416544	0	31	-2.0	-103.04	312.52	6.94	-96.10
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Br	REAL300000416545	1	31	-2.0	-104.31	309.43	6.22	-98.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C=C1F	REAL300000416546	0	28	-2.0	-107.91	286.42	5.74	-102.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1NC(C)=O	REAL300000416547	1	39	-2.0	-122.21	353.73	3.36	-118.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C=C1F	REAL300000416548	1	32	-2.0	-99.92	315.91	4.83	-95.09
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416549	0	38	-2.0	-101.14	357.57	4.16	-96.98
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416549	1	37	-3.0	-153.40	354.84	4.18	-149.22
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000416550	0	31	-2.0	-121.98	305.63	5.59	-116.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000416550	1	30	-3.0	-171.92	302.94	5.62	-166.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1F	REAL300000416552	1	37	-2.0	-108.15	332.76	4.97	-103.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000416553	1	33	-2.0	-107.45	316.82	6.33	-101.12
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416554	0	38	-3.0	-171.59	358.01	6.68	-164.91
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416554	1	39	-2.0	-116.72	360.82	6.64	-110.08
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C=C1F	REAL300000416555	0	25	-2.0	-102.47	283.55	4.77	-97.70
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000416556	0	34	-2.0	-104.09	329.67	7.53	-96.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C=C1F	REAL300000416558	1	44	-2.0	-105.74	371.78	8.84	-96.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1F	REAL300000416559	1	31	-2.0	-99.52	308.66	6.04	-93.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)C=C1F	REAL300000416560	1	38	-2.0	-111.19	332.65	7.53	-103.66
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416561	0	31	-2.0	-107.19	301.09	5.58	-101.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416561	1	30	-3.0	-158.26	298.37	5.60	-152.66
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416562	0	36	-2.0	-114.95	327.66	4.11	-110.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OC	REAL300000416563	1	36	-2.0	-108.16	328.66	4.24	-103.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)C=C1F	REAL300000416564	1	35	-2.0	-111.32	315.49	6.94	-104.38
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416565	0	30	-2.0	-99.88	283.12	4.00	-95.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1F	REAL300000416566	1	28	-2.0	-101.11	301.87	6.01	-95.10
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416567	0	31	-2.0	-100.73	305.00	5.46	-95.27
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416567	1	30	-3.0	-174.99	298.40	5.59	-169.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1F	REAL300000416568	1	28	-2.0	-100.43	282.65	5.16	-95.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C1F	REAL300000416569	0	28	-2.0	-103.92	299.79	6.12	-97.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1F	REAL300000416570	1	31	-2.0	-106.14	308.67	6.04	-100.10
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416571	1	31	-2.0	-110.53	291.34	5.70	-104.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C1F	REAL300000416573	0	31	-2.0	-110.26	295.82	6.42	-103.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C=C1F	REAL300000416574	1	31	-2.0	-100.61	321.83	6.45	-94.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1F	REAL300000416575	1	28	-2.0	-106.52	286.67	5.55	-100.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)C=C1F	REAL300000416576	0	31	-2.0	-103.30	321.80	6.60	-96.70
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416577	1	33	-2.0	-105.81	310.39	5.43	-100.38
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416578	1	34	-2.0	-107.75	306.82	6.48	-101.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000416579	1	34	-2.0	-111.25	308.35	6.24	-105.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1F	REAL300000416580	1	28	-2.0	-100.61	292.54	5.60	-95.01
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416581	1	33	-2.0	-119.47	311.20	5.44	-114.03
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416583	0	34	-2.0	-119.78	315.12	6.44	-113.34
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416584	1	37	-2.0	-101.98	346.55	6.62	-95.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C1F	REAL300000416585	0	28	-2.0	-105.57	298.24	6.05	-99.52
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000416586	1	34	-2.0	-107.51	325.44	5.78	-101.73
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416587	1	40	-2.0	-106.30	346.13	7.36	-98.94
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416588	1	37	-2.0	-106.28	330.15	6.96	-99.32
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416589	1	40	-2.0	-108.99	348.62	7.63	-101.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416590	0	34	-3.0	-177.67	326.53	5.39	-172.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416590	1	35	-2.0	-119.80	329.34	5.34	-114.46
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416591	0	35	-2.0	-105.49	332.56	6.87	-98.62
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416591	1	34	-3.0	-158.90	329.84	6.89	-152.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C1F	REAL300000416592	0	28	-2.0	-111.16	293.55	6.36	-104.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1F	REAL300000416593	0	25	-2.0	-102.37	278.92	4.65	-97.72
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416594	1	37	-2.0	-106.27	334.31	7.25	-99.02
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416595	0	32	-2.0	-113.47	298.17	4.83	-108.64
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000416596	0	34	-2.0	-101.16	317.06	6.10	-95.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000416596	1	33	-3.0	-177.61	318.47	6.24	-171.37
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416597	0	39	-2.0	-113.76	354.25	3.71	-110.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1F	REAL300000416598	0	28	-2.0	-101.75	287.99	5.22	-96.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1F	REAL300000416599	1	28	-2.0	-101.43	303.40	6.06	-95.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1F	REAL300000416600	0	28	-2.0	-108.32	283.06	5.60	-102.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C=C1F	REAL300000416601	1	28	-2.0	-106.42	291.23	5.66	-100.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1F	REAL300000416602	0	30	-2.0	-107.12	298.15	5.71	-101.41
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416603	1	33	-2.0	-104.45	313.63	6.48	-97.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C=C1F	REAL300000416604	1	30	-2.0	-101.46	310.61	6.08	-95.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1F	REAL300000416605	0	25	-2.0	-105.11	261.85	4.04	-101.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1F	REAL300000416607	0	30	-2.0	-119.39	288.47	6.42	-112.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416608	1	31	-2.0	-107.01	291.33	5.71	-101.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1F	REAL300000416610	0	28	-2.0	-102.91	281.83	5.16	-97.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1F	REAL300000416611	1	28	-2.0	-106.72	276.34	5.10	-101.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1F	REAL300000416612	0	28	-2.0	-100.83	282.75	5.17	-95.66
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000416613	1	40	-2.0	-110.36	333.45	7.73	-102.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1F	REAL300000416614	1	34	-2.0	-109.87	314.42	4.19	-105.68
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416616	1	43	-2.0	-108.80	361.62	8.14	-100.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1F	REAL300000416617	1	28	-2.0	-100.84	286.65	5.55	-95.29
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C=C1F	REAL300000416618	1	28	-2.0	-100.66	291.22	5.66	-95.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1F	REAL300000416619	0	30	-2.0	-96.39	298.14	5.70	-90.69
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416620	1	35	-2.0	-112.38	326.28	3.92	-108.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000416621	0	28	-2.0	-105.94	283.75	4.83	-101.11
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416622	1	44	-2.0	-111.08	385.06	5.97	-105.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000416623	0	37	-2.0	-118.70	333.35	6.88	-111.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000416623	1	36	-3.0	-174.70	330.78	6.91	-167.79
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416624	0	32	-2.0	-106.91	314.91	5.34	-101.57
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416625	1	31	-2.0	-103.84	306.70	6.43	-97.41
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416626	0	30	-3.0	-168.98	303.86	5.66	-163.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=C1F	REAL300000416627	0	25	-2.0	-99.21	292.77	5.19	-94.02
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416628	1	43	-2.0	-106.11	373.38	8.54	-97.57
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416629	1	33	-2.0	-102.83	308.20	6.31	-96.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1F	REAL300000416630	0	28	-2.0	-106.11	281.83	5.16	-100.95
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416631	0	37	-2.0	-104.19	344.68	7.16	-97.03
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416631	1	36	-3.0	-158.21	341.95	7.18	-151.03
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416632	1	38	-2.0	-112.15	346.58	4.74	-107.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1F	REAL300000416633	1	32	-2.0	-106.00	305.68	1.85	-104.15
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416635	1	32	-2.0	-104.80	310.12	6.06	-98.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1F	REAL300000416636	1	33	-2.0	-106.88	311.97	3.49	-103.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=C1F	REAL300000416637	1	36	-2.0	-107.89	329.76	4.22	-103.67
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OCC	REAL300000416638	1	42	-2.0	-108.14	372.37	6.08	-102.06
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416640	0	27	-3.0	-165.32	291.57	4.62	-160.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1F	REAL300000416641	1	31	-2.0	-105.59	301.69	2.54	-103.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416642	0	34	-2.0	-123.01	313.41	5.92	-117.09
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416642	1	33	-3.0	-172.93	313.82	6.39	-166.54
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416643	0	34	-2.0	-105.46	307.54	4.12	-101.34
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416644	1	36	-2.0	-112.64	346.56	1.21	-111.43
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000416645	1	36	-2.0	-103.91	330.64	7.02	-96.89
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C2CC1C	REAL300000416646	1	42	-2.0	-116.85	364.31	6.61	-110.24
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416647	1	34	-2.0	-102.40	324.69	5.70	-96.70
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416648	1	35	-2.0	-106.53	326.35	3.31	-103.22
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416649	1	33	-2.0	-107.30	324.10	-0.01	-107.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C=C1F	REAL300000416650	1	32	-2.0	-105.81	325.21	5.16	-100.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)C=C1F	REAL300000416651	1	39	-2.0	-113.36	347.72	6.16	-107.20
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000416652	1	42	-2.0	-119.72	361.50	6.60	-113.12
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416653	0	37	-2.0	-116.07	342.10	6.72	-109.35
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416654	1	32	-2.0	-106.47	304.42	1.81	-104.66
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000416655	1	39	-2.0	-117.69	350.53	6.16	-111.53
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416656	1	34	-2.0	-106.53	312.81	6.47	-100.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1F	REAL300000416657	1	34	-2.0	-112.18	315.87	7.32	-104.86
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=CS1	REAL300000416658	0	31	-2.0	-116.06	309.51	5.34	-110.72
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416659	1	38	-2.0	-105.71	346.49	5.55	-100.16
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416661	0	35	-2.0	-105.59	332.18	5.86	-99.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C=C1F	REAL300000416663	1	39	-2.0	-110.76	354.15	9.15	-101.61
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416664	1	40	-2.0	-106.47	351.07	7.72	-98.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1F	REAL300000416665	1	28	-2.0	-100.34	276.33	5.10	-95.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1F	REAL300000416666	0	28	-2.0	-110.87	275.41	5.10	-105.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C3NC(=O)CC3=C2)C=C1F	REAL300000416668	0	33	-2.0	-104.55	325.05	4.05	-100.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C1F	REAL300000416669	1	33	-2.0	-103.37	312.31	5.54	-97.83
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416670	0	34	-2.0	-122.13	322.79	3.63	-118.50
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=C2N=C1	REAL300000416671	0	36	-2.0	-125.08	331.26	6.32	-118.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(Cl)=C1	REAL300000416673	0	31	-2.0	-108.02	304.47	6.26	-101.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C=C1F	REAL300000416674	0	32	-2.0	-109.13	314.67	5.31	-103.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C=C1F	REAL300000416675	1	34	-2.0	-106.75	320.68	2.26	-104.49
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416676	1	33	-2.0	-113.54	324.14	-0.00	-113.54
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000416677	1	36	-2.0	-107.02	333.24	5.49	-101.53
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C([N+](=O)[O-])=C1	REAL300000416678	0	34	-2.0	-114.16	320.48	5.74	-108.42
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C2C1=O	REAL300000416679	1	35	-2.0	-104.09	335.56	4.29	-99.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C=C1F	REAL300000416680	1	33	-2.0	-101.59	317.61	6.54	-95.05
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000416681	1	34	-2.0	-106.91	324.05	4.99	-101.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C=C1F	REAL300000416682	1	32	-2.0	-104.35	315.93	4.83	-99.52
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416683	1	34	-2.0	-111.29	330.62	2.56	-108.73
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416685	1	36	-2.0	-106.90	346.53	1.20	-105.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C1F	REAL300000416686	1	38	-2.0	-110.17	339.77	8.91	-101.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1F	REAL300000416687	0	28	-2.0	-100.93	289.45	5.66	-95.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C=C1F	REAL300000416688	0	40	-2.0	-113.53	355.85	4.37	-109.16
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000416689	0	35	-2.0	-117.16	331.78	3.98	-113.18
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416690	1	34	-2.0	-116.80	330.65	2.56	-114.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)C=C1F	REAL300000416691	1	37	-2.0	-110.12	344.14	7.74	-102.38
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OC	REAL300000416693	0	36	-2.0	-107.03	334.13	4.30	-102.73
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OC	REAL300000416694	1	39	-2.0	-105.96	344.10	5.01	-100.95
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000416695	0	31	-3.0	-172.50	305.05	4.95	-167.55
CN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000416695	1	32	-2.0	-117.05	311.73	4.80	-112.25
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000416696	0	28	-2.0	-113.06	287.39	4.61	-108.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(Br)=C1	REAL300000416697	0	31	-2.0	-107.45	307.82	6.40	-101.05
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(N)=O	REAL300000416698	0	33	-2.0	-107.84	311.88	1.20	-106.64
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416699	0	35	-2.0	-123.40	322.16	3.99	-119.41
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416700	0	34	-2.0	-109.58	337.78	6.25	-103.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000416702	1	32	-2.0	-106.22	315.45	4.89	-101.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000416703	1	32	-2.0	-106.04	305.65	4.41	-101.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(N)=O	REAL300000416706	1	35	-2.0	-104.84	320.51	2.49	-102.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(N)=O	REAL300000416707	1	36	-2.0	-106.67	331.75	2.41	-104.26
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416708	0	33	-2.0	-96.43	313.63	6.48	-89.95
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CN1C	REAL300000416709	0	36	-2.0	-108.29	333.82	2.69	-105.60
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416710	1	31	-2.0	-103.96	302.14	6.33	-97.63
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=N2)C=C1	REAL300000416712	0	38	-2.0	-107.35	351.91	6.84	-100.51
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C=C1F	REAL300000416714	1	39	-2.0	-108.90	345.45	5.18	-103.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)C=C1F	REAL300000416716	1	36	-2.0	-109.14	333.48	4.88	-104.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416717	0	30	-3.0	-160.86	307.50	5.28	-155.58
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000416718	1	29	-2.0	-99.93	306.16	5.84	-94.09
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000416719	1	29	-2.0	-100.72	306.19	5.84	-94.88
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000416720	0	37	-2.0	-117.21	331.75	6.91	-110.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1F	REAL300000416721	1	32	-2.0	-114.46	308.30	5.40	-109.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC=CN=C12	REAL300000416722	1	37	-2.0	-109.15	335.23	4.81	-104.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000416723	1	31	-2.0	-107.05	305.40	6.15	-100.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1F	REAL300000416724	0	28	-2.0	-107.92	291.61	5.60	-102.32
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416726	0	34	-2.0	-101.72	326.39	5.50	-96.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC=CC=C12	REAL300000416727	1	38	-2.0	-115.10	339.31	6.70	-108.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000416728	1	31	-2.0	-106.87	296.65	5.74	-101.13
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416729	1	31	-2.0	-101.13	302.14	6.33	-94.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C=C1F	REAL300000416730	0	28	-2.0	-100.71	310.26	6.86	-93.85
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416731	0	31	-2.0	-110.92	296.84	5.76	-105.16
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416732	1	31	-2.0	-104.17	291.81	5.87	-98.30
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416733	0	33	-2.0	-122.66	303.53	7.29	-115.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)C=C1F	REAL300000416734	0	36	-2.0	-110.49	335.25	4.28	-106.21
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C(F)(F)F)=C1	REAL300000416735	0	32	-2.0	-102.75	316.52	6.82	-95.93
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416736	1	38	-2.0	-119.22	341.74	4.89	-114.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CS1	REAL300000416740	0	27	-3.0	-167.34	290.04	4.63	-162.71
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=CS1	REAL300000416740	1	28	-2.0	-100.61	296.71	4.49	-96.12
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000416741	0	31	-2.0	-111.68	312.31	6.93	-104.75
COC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000416742	0	39	-2.0	-103.23	359.46	5.39	-97.84
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000416742	1	38	-3.0	-174.56	356.71	5.41	-169.15
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416743	1	37	-2.0	-113.24	346.12	3.33	-109.91
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000416744	0	35	-2.0	-104.62	332.37	5.54	-99.08
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CS2)C=C1F	REAL300000416746	0	25	-2.0	-108.17	282.25	4.60	-103.57
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1O	REAL300000416747	1	35	-2.0	-106.32	333.55	3.73	-102.59
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416748	1	41	-2.0	-114.81	373.32	4.83	-109.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1F	REAL300000416749	0	30	-2.0	-111.88	297.40	6.53	-105.35
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416750	0	42	-2.0	-116.10	380.37	3.84	-112.26
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416751	0	41	-2.0	-117.60	354.56	7.74	-109.86
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416751	1	40	-3.0	-177.06	353.63	8.22	-168.84
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416752	0	40	-2.0	-115.72	352.71	7.17	-108.55
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416752	1	39	-3.0	-175.86	352.29	7.61	-168.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=C1F	REAL300000416753	1	38	-2.0	-107.15	344.10	8.45	-98.70
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416754	0	37	-2.0	-115.79	350.87	3.50	-112.29
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416755	1	39	-2.0	-118.88	360.68	4.70	-114.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)C=C1F	REAL300000416758	1	39	-2.0	-119.50	358.01	5.01	-114.49
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416759	0	32	-2.0	-109.54	301.11	3.40	-106.14
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416760	0	37	-2.0	-122.26	330.75	6.80	-115.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416760	1	36	-3.0	-172.14	328.53	7.33	-164.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C1F	REAL300000416761	0	31	-2.0	-109.85	309.45	5.95	-103.90
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1)=C2	REAL300000416762	1	41	-2.0	-115.46	369.73	8.87	-106.59
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416763	0	37	-3.0	-179.93	348.82	6.16	-173.77
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416763	1	38	-2.0	-124.77	351.62	6.11	-118.66
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000416764	0	33	-3.0	-179.39	333.49	6.03	-173.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000416764	1	32	-4.0	-254.62	326.80	6.16	-248.46
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000416765	0	31	-2.0	-100.44	317.80	4.79	-95.65
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416766	0	38	-2.0	-124.28	345.28	7.47	-116.81
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416766	1	37	-3.0	-177.04	342.65	7.50	-169.54
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000416767	1	34	-2.0	-112.16	335.02	2.58	-109.58
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000416768	0	36	-2.0	-117.76	329.43	7.65	-110.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1F	REAL300000416769	0	32	-2.0	-100.17	307.73	5.41	-94.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1F	REAL300000416770	0	28	-2.0	-104.18	284.83	5.39	-98.79
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000416771	0	38	-2.0	-113.68	366.04	3.96	-109.72
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000416772	0	38	-2.0	-107.89	363.43	4.02	-103.87
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C(C(=O)[O-])O1	REAL300000416773	0	30	-3.0	-167.22	301.41	4.75	-162.47
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C(C(=O)[O-])O1	REAL300000416773	1	31	-2.0	-117.11	304.41	4.70	-112.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1F	REAL300000416774	0	31	-2.0	-129.42	298.13	4.24	-125.18
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416775	0	34	-2.0	-111.54	330.19	5.74	-105.80
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416776	0	38	-2.0	-115.05	341.45	6.41	-108.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C=C1F	REAL300000416777	1	31	-2.0	-100.22	314.25	6.09	-94.13
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416778	1	44	-2.0	-106.10	381.14	6.75	-99.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=C1F	REAL300000416780	0	30	-2.0	-121.11	303.62	7.19	-113.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1F	REAL300000416781	1	33	-2.0	-120.02	318.21	5.21	-114.81
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC=CC=C12	REAL300000416782	1	41	-2.0	-111.66	361.15	7.63	-104.03
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1F	REAL300000416783	0	37	-2.0	-128.20	343.27	5.35	-122.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1F	REAL300000416783	1	36	-3.0	-179.96	340.57	5.38	-174.58
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C=C1F	REAL300000416784	1	32	-2.0	-100.93	326.30	6.50	-94.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C=C1F	REAL300000416785	0	27	-2.0	-100.90	286.28	3.83	-97.07
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416788	0	34	-2.0	-115.26	336.13	2.62	-112.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1F	REAL300000416789	0	30	-2.0	-125.67	292.64	6.58	-119.09
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416790	0	34	-3.0	-174.20	327.37	4.69	-169.51
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416790	1	35	-2.0	-105.44	330.15	4.65	-100.79
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1F	REAL300000416791	0	39	-2.0	-111.87	358.63	6.07	-105.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1F	REAL300000416792	0	35	-2.0	-107.77	330.50	6.15	-101.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C=C1F	REAL300000416793	0	38	-2.0	-107.50	355.91	6.60	-100.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1F	REAL300000416794	0	27	-2.0	-100.77	271.36	3.31	-97.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)C=C1F	REAL300000416795	0	28	-2.0	-105.81	296.72	5.72	-100.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(F)(F)F	REAL300000416796	1	34	-2.0	-106.56	324.36	6.56	-100.00
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000416797	1	38	-2.0	-107.27	350.18	5.95	-101.32
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416798	0	31	-2.0	-105.58	317.97	4.70	-100.88
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416799	1	36	-2.0	-103.70	328.38	7.42	-96.28
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1F	REAL300000416800	1	33	-2.0	-108.19	306.08	5.46	-102.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C=C1F	REAL300000416801	0	34	-2.0	-107.55	342.76	5.79	-101.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C1F	REAL300000416802	0	27	-2.0	-101.72	295.08	4.17	-97.55
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1OCC(=O)[O-]	REAL300000416803	0	38	-2.0	-104.35	356.24	6.45	-97.90
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C12	REAL300000416805	1	36	-2.0	-104.14	336.25	4.77	-99.37
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C12	REAL300000416806	0	32	-2.0	-100.36	309.69	2.01	-98.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)C=C1F	REAL300000416807	1	37	-2.0	-108.25	351.46	7.88	-100.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1F	REAL300000416808	0	28	-2.0	-108.79	281.72	5.16	-103.63
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000416809	0	32	-2.0	-109.25	307.90	4.62	-104.63
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416810	0	34	-2.0	-114.43	331.88	6.95	-107.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1F	REAL300000416811	0	30	-2.0	-111.84	307.74	6.98	-104.86
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416812	0	34	-2.0	-115.91	318.55	5.96	-109.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416812	1	33	-3.0	-163.05	319.11	6.42	-156.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1F	REAL300000416813	0	34	-2.0	-112.24	313.06	4.68	-107.56
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CN1C	REAL300000416814	0	31	-2.0	-118.05	293.47	3.94	-114.11
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000416815	0	35	-2.0	-108.85	338.39	5.91	-102.94
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000416815	1	34	-3.0	-159.17	335.69	5.94	-153.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1F	REAL300000416816	0	32	-2.0	-109.19	307.92	5.09	-104.10
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416817	1	37	-2.0	-112.65	346.60	6.62	-106.03
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000416818	0	31	-2.0	-106.81	296.02	3.61	-103.20
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416819	1	40	-2.0	-101.52	368.05	7.41	-94.11
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CN=C21	REAL300000416820	0	36	-2.0	-101.63	339.62	2.45	-99.18
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416821	1	35	-2.0	-111.70	325.00	4.76	-106.94
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416822	0	34	-2.0	-114.44	321.55	6.50	-107.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C=C1F	REAL300000416823	0	36	-2.0	-114.66	332.92	5.58	-109.08
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C=C1F	REAL300000416824	0	31	-2.0	-105.31	314.17	6.10	-99.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C=C1F	REAL300000416825	0	31	-2.0	-102.49	302.19	6.49	-96.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C=C1F	REAL300000416826	0	28	-2.0	-105.76	302.02	5.13	-100.63
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000416827	0	38	-2.0	-105.00	354.23	6.45	-98.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1F	REAL300000416828	1	33	-2.0	-108.00	305.91	4.33	-103.67
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000416829	1	37	-2.0	-102.73	351.15	6.64	-96.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1F	REAL300000416830	0	28	-2.0	-103.89	289.46	5.66	-98.23
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)=CO1	REAL300000416831	1	37	-2.0	-112.26	346.33	4.09	-108.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=C1F	REAL300000416833	1	32	-2.0	-103.64	314.23	1.90	-101.74
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416834	1	32	-2.0	-111.54	299.44	4.33	-107.21
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416835	1	31	-2.0	-107.10	285.41	5.81	-101.29
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000416836	0	34	-2.0	-110.20	331.53	3.27	-106.93
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000416836	1	33	-3.0	-164.93	328.24	2.14	-162.79
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C(F)C=C1F	REAL300000416839	0	34	-2.0	-100.49	334.72	5.77	-94.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000416840	0	31	-2.0	-110.36	296.83	5.77	-104.59
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000416841	0	32	-2.0	-102.89	328.55	5.45	-97.44
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000416842	1	31	-2.0	-103.38	296.65	5.73	-97.65
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300000416843	0	31	-2.0	-100.72	309.47	3.83	-96.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1F	REAL300000416844	0	33	-2.0	-125.26	309.85	5.67	-119.59
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C(C(=O)[O-])S1	REAL300000416845	0	31	-2.0	-115.55	309.94	5.48	-110.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C(C(=O)[O-])S1	REAL300000416845	1	30	-3.0	-168.73	306.99	5.49	-163.24
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000416846	1	37	-2.0	-109.09	334.25	6.36	-102.73
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416847	0	32	-2.0	-108.94	312.53	4.90	-104.04
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CN=C1Cl	REAL300000416848	0	30	-2.0	-101.15	300.58	4.26	-96.89
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416849	0	34	-2.0	-115.05	329.01	2.58	-112.47
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416851	1	37	-2.0	-111.97	346.88	6.48	-105.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)N(C)C	REAL300000416853	1	42	-2.0	-108.86	371.78	4.79	-104.07
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000416854	1	39	-2.0	-130.11	348.76	6.06	-124.05
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416855	0	40	-2.0	-106.10	349.10	5.65	-100.45
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)SC=C1	REAL300000416856	0	28	-2.0	-107.48	280.66	4.66	-102.82
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416857	1	34	-2.0	-106.56	341.45	6.20	-100.36
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000416858	0	37	-2.0	-105.58	329.35	4.99	-100.59
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000416859	1	37	-2.0	-105.08	340.73	6.23	-98.85
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1[N+](=O)[O-]	REAL300000416860	0	33	-2.0	-99.16	314.15	6.22	-92.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C1F	REAL300000416861	1	36	-2.0	-121.32	329.52	3.49	-117.83
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416862	1	37	-2.0	-119.96	354.95	3.23	-116.73
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416863	1	32	-2.0	-104.41	306.19	6.21	-98.20
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000416864	1	35	-2.0	-116.35	331.13	4.05	-112.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000416865	0	33	-2.0	-105.54	319.60	6.29	-99.25
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416866	1	40	-2.0	-106.87	322.07	7.72	-99.15
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CC(Cl)=C2O1	REAL300000416867	1	36	-2.0	-105.84	343.71	6.16	-99.68
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C	REAL300000416868	1	38	-2.0	-126.39	344.83	4.84	-121.55
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000416869	1	42	-2.0	-130.49	361.57	6.62	-123.87
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416870	0	32	-2.0	-111.22	307.58	5.50	-105.72
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416871	1	32	-2.0	-100.56	306.17	6.20	-94.36
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416872	1	40	-2.0	-111.45	334.70	8.27	-103.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C=C1F	REAL300000416873	1	37	-2.0	-113.47	338.59	5.10	-108.37
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1OC	REAL300000416874	1	38	-2.0	-108.11	352.02	5.74	-102.37
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000416875	0	29	-2.0	-102.82	296.22	5.49	-97.33
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C2O1	REAL300000416876	1	33	-2.0	-107.28	313.58	2.70	-104.58
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000416877	0	34	-2.0	-106.68	314.70	4.12	-102.56
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416878	0	33	-2.0	-110.53	307.75	1.52	-109.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1F	REAL300000416879	1	33	-2.0	-110.01	310.91	5.42	-104.59
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000416880	0	34	-2.0	-112.61	329.29	3.80	-108.81
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CN1	REAL300000416881	0	34	-2.0	-112.46	313.73	3.49	-108.97
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C([N+](=O)[O-])=C1	REAL300000416882	0	31	-2.0	-109.40	311.77	6.84	-102.56
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=NN1C1=CC=CC=N1	REAL300000416884	0	37	-2.0	-109.10	342.12	6.42	-102.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1F	REAL300000416886	1	28	-2.0	-93.15	288.92	5.22	-87.93
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416887	1	39	-2.0	-104.54	352.54	6.87	-97.67
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CN1C	REAL300000416889	0	35	-2.0	-112.32	331.10	5.14	-107.18
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416890	1	43	-2.0	-106.20	360.35	7.82	-98.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(Cl)=C1	REAL300000416891	0	30	-3.0	-156.75	311.44	6.15	-150.60
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C(Cl)=C1	REAL300000416891	1	31	-2.0	-101.53	314.11	6.13	-95.40
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000416892	0	31	-2.0	-107.03	309.40	5.49	-101.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000416892	1	30	-3.0	-159.85	302.92	5.63	-154.22
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416893	1	36	-2.0	-103.61	336.41	4.44	-99.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C=C1F	REAL300000416894	0	35	-2.0	-110.75	334.90	6.31	-104.44
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000416895	0	28	-2.0	-105.62	304.12	5.41	-100.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)C=C1F	REAL300000416896	1	28	-2.0	-100.70	296.96	5.70	-95.00
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416897	1	38	-2.0	-113.04	348.16	5.69	-107.35
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C)=C1F	REAL300000416898	1	34	-2.0	-103.92	316.98	6.37	-97.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2)C=C1F	REAL300000416899	1	28	-2.0	-100.77	296.96	5.70	-95.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(Cl)=C1Cl	REAL300000416900	0	32	-2.0	-105.14	327.01	5.40	-99.74
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000416901	0	39	-2.0	-112.18	357.68	5.79	-106.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C=C1F	REAL300000416902	0	31	-2.0	-104.25	314.76	3.10	-101.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000416903	0	27	-3.0	-162.09	290.67	4.72	-157.37
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416904	0	37	-2.0	-114.29	334.63	6.01	-108.28
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416905	0	31	-2.0	-116.90	307.54	5.64	-111.26
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416905	1	30	-3.0	-165.16	304.80	5.66	-159.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1F	REAL300000416906	0	33	-3.0	-170.36	324.15	6.30	-164.06
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416907	1	42	-2.0	-106.61	362.75	7.09	-99.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CN1	REAL300000416908	0	32	-2.0	-107.44	313.32	3.38	-104.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000416909	0	30	-3.0	-157.86	303.85	5.66	-152.20
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000416909	1	31	-2.0	-101.07	306.63	5.63	-95.44
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000416910	0	31	-2.0	-103.84	317.37	5.85	-97.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000416910	1	30	-3.0	-158.25	310.90	6.00	-152.25
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416911	1	31	-2.0	-103.37	290.73	5.85	-97.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Br	REAL300000416912	1	31	-2.0	-107.19	309.43	6.23	-100.96
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C	REAL300000416913	1	37	-2.0	-107.01	340.74	6.22	-100.79
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CS1	REAL300000416914	0	31	-2.0	-106.10	317.20	4.72	-101.38
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000416915	1	34	-2.0	-102.61	329.28	5.71	-96.90
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000416916	0	30	-2.0	-103.96	296.44	3.53	-100.43
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416917	1	32	-2.0	-112.36	312.17	6.21	-106.15
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416918	1	36	-2.0	-96.22	328.28	7.37	-88.85
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1[O-]	REAL300000416919	1	36	-2.0	-102.25	339.18	1.80	-100.45
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416920	0	34	-2.0	-116.68	327.26	6.35	-110.33
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416920	1	33	-3.0	-164.94	327.84	6.80	-158.14
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416921	1	34	-2.0	-103.57	324.48	6.82	-96.75
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416922	0	28	-2.0	-100.42	303.12	5.35	-95.07
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416923	1	34	-2.0	-110.77	312.83	6.47	-104.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C=C1F	REAL300000416924	0	31	-2.0	-103.50	325.56	6.98	-96.52
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416925	1	31	-2.0	-106.43	297.75	5.77	-100.66
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416926	0	39	-2.0	-104.12	364.84	6.99	-97.13
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416926	1	38	-3.0	-156.06	362.12	7.00	-149.06
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416927	0	34	-2.0	-104.03	327.83	4.48	-99.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=C1F	REAL300000416928	1	34	-2.0	-103.79	321.30	4.10	-99.69
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416929	0	32	-3.0	-159.25	326.59	6.26	-152.99
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416929	1	33	-2.0	-97.37	329.29	6.24	-91.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C=C1F	REAL300000416930	0	31	-2.0	-107.99	323.28	6.91	-101.08
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416931	0	38	-2.0	-116.04	352.86	5.49	-110.55
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416932	1	40	-2.0	-110.79	357.39	7.03	-103.76
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C(F)C=C1F	REAL300000416934	0	31	-2.0	-102.92	302.14	5.79	-97.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C=C1F	REAL300000416935	0	34	-2.0	-117.48	321.72	8.11	-109.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1F	REAL300000416936	1	34	-2.0	-114.67	310.97	7.35	-107.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1F	REAL300000416937	0	30	-2.0	-106.73	301.92	4.51	-102.22
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000416938	0	33	-2.0	-103.88	327.27	6.78	-97.10
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000416939	0	35	-2.0	-107.61	347.78	4.13	-103.48
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416940	1	31	-2.0	-103.29	303.51	6.33	-96.96
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416941	0	31	-3.0	-171.68	308.10	3.31	-168.37
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416941	1	31	-3.0	-176.21	307.31	4.11	-172.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1F	REAL300000416942	1	38	-2.0	-113.70	325.26	7.67	-106.03
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416943	0	34	-2.0	-104.37	323.28	6.36	-98.01
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000416943	1	33	-3.0	-162.58	320.55	6.38	-156.20
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000416944	1	35	-2.0	-109.96	340.11	4.56	-105.40
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300000416945	0	34	-2.0	-100.83	331.33	4.76	-96.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1F	REAL300000416946	0	30	-2.0	-99.29	304.56	5.77	-93.52
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416947	0	33	-2.0	-116.55	325.76	6.09	-110.46
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000416948	1	40	-2.0	-108.69	360.65	6.58	-102.11
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416949	1	33	-2.0	-98.92	326.08	6.85	-92.07
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)SC=C1	REAL300000416950	0	29	-2.0	-117.73	292.11	3.32	-114.41
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416951	1	37	-2.0	-115.86	352.12	3.45	-112.41
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)OC2=CC=C(F)C=C12	REAL300000416952	0	34	-2.0	-106.69	323.69	6.32	-100.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1F	REAL300000416953	0	31	-2.0	-107.96	299.69	5.43	-102.53
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C2C=C1	REAL300000416954	0	36	-2.0	-123.93	331.44	6.27	-117.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC(Cl)=CC=C2S1	REAL300000416955	0	34	-2.0	-107.98	337.53	7.92	-100.06
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000416956	1	39	-2.0	-105.76	353.24	4.55	-101.21
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C(Br)S1	REAL300000416957	0	28	-2.0	-100.31	299.83	5.55	-94.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C=C1F	REAL300000416958	1	34	-2.0	-109.65	325.35	7.78	-101.87
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC(F)=C1F	REAL300000416959	1	34	-2.0	-97.86	335.55	5.77	-92.09
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)SC2=CC=CC(F)=C12	REAL300000416960	0	34	-2.0	-112.99	329.91	7.06	-105.93
N#CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416961	1	29	-2.0	-101.03	312.06	6.04	-94.99
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1F	REAL300000416962	0	33	-2.0	-104.58	323.95	6.42	-98.16
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416963	0	30	-2.0	-111.34	303.17	3.79	-107.55
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=NC2=C1Cl	REAL300000416964	0	33	-2.0	-99.53	330.93	5.00	-94.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C=C1F	REAL300000416965	0	28	-2.0	-110.77	289.56	5.97	-104.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C=C1F	REAL300000416966	1	30	-2.0	-102.12	318.21	4.94	-97.18
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416967	0	28	-2.0	-97.19	285.96	3.94	-93.25
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)N=C1Cl	REAL300000416968	0	28	-2.0	-109.41	290.11	3.87	-105.54
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416969	1	36	-2.0	-112.13	328.92	3.64	-108.49
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000416970	0	31	-2.0	-99.48	321.84	6.11	-93.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000416970	1	30	-3.0	-164.55	319.11	6.12	-158.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1F	REAL300000416971	0	29	-2.0	-111.24	285.76	3.78	-107.46
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000416972	0	36	-2.0	-119.83	321.00	7.83	-112.00
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)S2)=CS1	REAL300000416973	0	34	-2.0	-105.82	349.37	5.59	-100.23
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416974	0	29	-2.0	-101.14	292.16	2.87	-98.27
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000416975	0	27	-2.0	-102.82	278.45	2.86	-99.96
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000416976	1	34	-2.0	-102.62	337.27	6.08	-96.54
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416977	1	33	-2.0	-98.21	318.14	6.51	-91.70
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416978	0	34	-2.0	-101.57	310.84	6.21	-95.36
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416978	1	33	-3.0	-169.29	308.46	6.23	-163.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C=C1F	REAL300000416980	1	35	-2.0	-127.00	334.55	2.91	-124.09
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1F	REAL300000416981	0	34	-2.0	-127.01	325.94	6.22	-120.79
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1F	REAL300000416981	1	33	-3.0	-170.60	323.22	6.24	-164.36
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416982	0	34	-2.0	-110.31	313.39	5.93	-104.38
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000416983	0	34	-2.0	-112.77	328.83	6.14	-106.63
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C2F)N=C1	REAL300000416984	1	38	-2.0	-104.51	353.55	6.90	-97.61
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C(C)N1	REAL300000416985	0	41	-2.0	-106.48	365.90	5.73	-100.75
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000416986	0	31	-2.0	-105.77	302.12	5.81	-99.96
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1[N+](=O)[O-]	REAL300000416987	0	34	-2.0	-99.25	325.47	5.78	-93.47
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1C	REAL300000416988	0	37	-2.0	-102.20	337.92	6.74	-95.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1C	REAL300000416988	1	36	-3.0	-176.87	335.19	6.76	-170.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C=C1F	REAL300000416989	1	34	-2.0	-118.80	327.67	7.85	-110.95
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000416990	0	34	-2.0	-108.58	335.05	2.58	-106.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300000416991	0	32	-3.0	-172.16	324.96	6.68	-165.48
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300000416991	1	33	-2.0	-129.96	327.65	6.66	-123.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=C1F	REAL300000416992	0	31	-2.0	-103.48	315.25	6.54	-96.94
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1CC	REAL300000416993	1	40	-2.0	-111.10	346.99	7.60	-103.50
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416994	0	30	-3.0	-160.34	310.14	5.72	-154.62
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC([N+](=O)[O-])=C1F	REAL300000416995	1	33	-2.0	-97.74	322.97	6.36	-91.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C1F	REAL300000416996	0	27	-2.0	-104.66	288.89	4.48	-100.18
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000416997	0	34	-2.0	-113.80	315.53	5.42	-108.38
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000416998	0	33	-2.0	-101.28	320.68	3.86	-97.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=C1F	REAL300000416999	0	27	-2.0	-99.46	295.37	4.22	-95.24
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000417000	0	37	-2.0	-105.62	335.03	6.95	-98.67
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000417001	0	33	-3.0	-170.26	319.86	6.19	-164.07
CC1=CC(F)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000417001	1	34	-2.0	-108.99	326.32	6.27	-102.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000417002	0	33	-3.0	-169.71	330.15	6.73	-162.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000417002	1	34	-2.0	-113.09	332.82	6.71	-106.38
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417003	0	33	-3.0	-177.82	323.40	6.28	-171.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C=C1F	REAL300000417004	0	28	-2.0	-95.31	297.17	5.52	-89.79
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417005	1	36	-2.0	-119.57	333.02	6.30	-113.27
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000417006	0	35	-2.0	-105.27	329.69	2.65	-102.62
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C([N+](=O)[O-])=N1	REAL300000417007	0	33	-2.0	-111.88	320.24	5.88	-106.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)C=C1F	REAL300000417008	0	28	-2.0	-103.36	292.81	5.80	-97.56
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1Br	REAL300000417009	0	31	-2.0	-108.64	304.63	6.31	-102.33
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000417010	0	37	-2.0	-120.54	335.02	6.75	-113.79
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000417010	1	36	-3.0	-177.36	332.64	6.78	-170.58
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=C1F	REAL300000417011	0	39	-2.0	-106.86	347.10	3.59	-103.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)C=C1F	REAL300000417014	0	31	-2.0	-100.01	321.79	6.59	-93.42
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417015	0	34	-2.0	-107.73	321.65	5.51	-102.22
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000417016	0	37	-2.0	-109.01	342.93	6.68	-102.33
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417017	0	34	-2.0	-114.04	317.41	5.79	-108.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1F	REAL300000417018	0	36	-2.0	-105.30	328.00	2.79	-102.51
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417020	0	36	-2.0	-105.98	343.35	7.10	-98.88
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1F	REAL300000417021	0	31	-2.0	-111.67	295.72	5.75	-105.92
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000417022	0	34	-2.0	-102.96	318.99	2.66	-100.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1F	REAL300000417023	0	35	-2.0	-116.46	315.87	5.07	-111.39
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1CC(=O)[O-]	REAL300000417024	0	38	-2.0	-114.95	355.35	5.58	-109.37
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000417025	1	35	-2.0	-106.59	324.99	4.76	-101.83
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417026	0	33	-2.0	-110.32	309.19	2.02	-108.30
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000417027	0	31	-2.0	-109.11	301.81	6.17	-102.94
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C(C)O1	REAL300000417029	0	31	-2.0	-104.73	292.90	4.61	-100.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)C=C1F	REAL300000417030	0	34	-2.0	-111.82	316.18	2.70	-109.12
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)CC1	REAL300000417032	1	41	-2.0	-107.04	368.26	7.66	-99.38
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417033	0	37	-2.0	-105.75	352.99	6.68	-99.07
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417034	1	35	-2.0	-105.79	316.52	5.07	-100.72
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C(C(=O)OC)O1	REAL300000417035	0	37	-2.0	-101.80	346.92	5.45	-96.35
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417037	0	31	-2.0	-106.75	303.58	5.45	-101.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1F	REAL300000417038	1	31	-2.0	-106.24	295.98	3.69	-102.55
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C2=NC=CC=C2C=C1	REAL300000417039	0	36	-2.0	-122.54	323.56	6.80	-115.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1F	REAL300000417040	0	34	-2.0	-116.51	319.21	7.06	-109.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C=C1F	REAL300000417041	0	34	-2.0	-100.97	338.56	3.12	-97.85
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417042	0	34	-2.0	-111.05	321.56	6.50	-104.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1F	REAL300000417043	0	30	-2.0	-97.15	302.68	5.73	-91.42
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417044	0	34	-2.0	-98.36	327.55	6.72	-91.64
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417044	1	33	-3.0	-163.09	328.93	6.85	-156.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1F	REAL300000417045	1	28	-2.0	-101.11	293.09	5.62	-95.49
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C(C)O1	REAL300000417046	0	34	-2.0	-101.77	327.76	4.60	-97.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1F	REAL300000417047	0	27	-2.0	-100.95	281.71	3.73	-97.22
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000417048	0	34	-2.0	-123.52	332.33	6.53	-116.99
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000417048	1	33	-3.0	-169.71	329.61	6.55	-163.16
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)N=C1C	REAL300000417049	0	34	-2.0	-117.91	315.48	4.84	-113.07
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417050	0	31	-2.0	-107.99	307.82	6.40	-101.59
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417051	0	31	-2.0	-108.52	304.47	6.26	-102.26
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000417052	0	34	-3.0	-173.93	326.43	5.81	-168.12
CCN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000417052	1	35	-2.0	-101.86	333.10	5.67	-96.19
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417053	0	31	-2.0	-104.88	309.81	3.78	-101.10
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417054	0	40	-2.0	-106.92	346.06	5.62	-101.30
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CN1C	REAL300000417055	0	38	-2.0	-111.91	352.96	6.07	-105.84
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417056	1	36	-2.0	-101.79	331.96	7.09	-94.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1F	REAL300000417057	0	28	-2.0	-111.24	285.98	5.83	-105.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(Cl)=N1	REAL300000417058	0	30	-2.0	-108.46	299.84	4.36	-104.10
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417059	0	33	-2.0	-106.05	318.96	5.22	-100.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C=C1F	REAL300000417060	0	35	-2.0	-107.50	334.98	6.23	-101.27
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000417061	1	32	-2.0	-105.95	325.14	6.51	-99.44
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000417062	0	30	-2.0	-102.41	299.94	3.61	-98.80
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C12	REAL300000417063	0	35	-2.0	-99.69	331.18	2.75	-96.94
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000417064	0	30	-2.0	-101.45	309.22	5.41	-96.04
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CN=C1Cl	REAL300000417065	0	31	-2.0	-99.32	310.78	3.01	-96.31
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000417066	1	37	-2.0	-106.78	345.86	6.00	-100.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C=C1F	REAL300000417067	1	40	-2.0	-108.35	354.31	6.49	-101.86
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=C1F	REAL300000417068	0	30	-2.0	-99.27	304.65	4.28	-94.99
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417069	0	34	-2.0	-106.20	331.13	5.76	-100.44
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C(C)=C1CC(=O)[O-]	REAL300000417070	0	43	-2.0	-127.05	357.71	7.66	-119.39
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417071	0	43	-2.0	-106.01	362.70	6.05	-99.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=C1F	REAL300000417072	1	35	-2.0	-103.18	320.01	5.15	-98.03
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(Cl)=C1	REAL300000417073	0	29	-2.0	-100.82	303.81	5.99	-94.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1F	REAL300000417074	0	31	-2.0	-114.81	297.85	5.35	-109.46
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417075	0	33	-2.0	-105.79	319.91	3.89	-101.90
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417076	0	39	-2.0	-115.45	360.07	5.13	-110.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=C1F	REAL300000417077	0	25	-2.0	-100.38	274.31	3.77	-96.61
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C(C2=CC=CC=C2)S1	REAL300000417078	0	37	-2.0	-116.29	350.64	6.61	-109.68
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C(C2=CC=CC=C2)O1	REAL300000417079	0	37	-2.0	-112.71	344.26	4.15	-108.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000417080	1	36	-2.0	-105.30	329.63	7.00	-98.30
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417081	0	38	-2.0	-116.47	333.48	6.79	-109.68
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417083	1	40	-2.0	-110.05	362.01	7.40	-102.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C=C1F	REAL300000417084	0	28	-2.0	-99.88	305.10	6.15	-93.73
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417085	0	28	-2.0	-100.18	298.90	5.25	-94.93
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(OC)=C1	REAL300000417086	0	38	-2.0	-108.08	352.91	5.48	-102.60
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1F	REAL300000417087	1	31	-2.0	-109.21	302.12	5.90	-103.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C=C1F	REAL300000417088	0	31	-2.0	-101.94	314.16	6.10	-95.84
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417089	1	31	-2.0	-106.53	312.64	6.32	-100.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1F	REAL300000417090	0	31	-2.0	-105.84	309.01	3.89	-101.95
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417091	0	32	-2.0	-113.48	306.01	6.10	-107.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C=C1F	REAL300000417092	1	31	-2.0	-110.50	315.32	2.27	-108.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C=C1F	REAL300000417093	0	36	-2.0	-103.69	339.37	6.33	-97.36
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417094	1	37	-2.0	-109.77	323.94	7.04	-102.73
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=CS1	REAL300000417095	0	34	-2.0	-118.92	325.16	6.21	-112.71
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000417096	1	32	-2.0	-102.65	305.67	4.41	-98.24
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417097	0	36	-2.0	-113.67	343.33	7.10	-106.57
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417098	0	27	-2.0	-96.45	263.36	1.50	-94.95
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CN=C21	REAL300000417099	1	33	-2.0	-104.37	314.30	4.17	-100.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1F	REAL300000417100	0	27	-2.0	-98.55	291.09	4.80	-93.75
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000417102	1	36	-2.0	-108.13	337.10	3.25	-104.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C=C1F	REAL300000417103	1	31	-2.0	-100.61	325.40	6.55	-94.06
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000417104	0	34	-2.0	-98.16	333.42	5.86	-92.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1F	REAL300000417105	0	32	-2.0	-110.56	297.92	4.48	-106.08
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417106	0	29	-2.0	-104.30	303.84	5.99	-98.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C1F	REAL300000417107	0	31	-2.0	-107.21	313.90	4.11	-103.10
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417108	1	34	-2.0	-106.32	300.15	6.76	-99.56
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417109	0	36	-2.0	-122.86	323.91	5.54	-117.32
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417111	0	31	-2.0	-114.33	289.54	6.00	-108.33
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417112	1	31	-2.0	-101.07	306.70	6.43	-94.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C=C1F	REAL300000417113	0	32	-2.0	-119.38	308.32	5.11	-114.27
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417114	0	41	-2.0	-105.54	361.03	6.54	-99.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)C=C1F	REAL300000417115	0	28	-2.0	-103.27	296.72	5.72	-97.55
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C12	REAL300000417116	0	36	-2.0	-122.08	327.79	6.22	-115.86
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417117	1	32	-2.0	-112.71	321.18	2.33	-110.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1F	REAL300000417118	0	29	-2.0	-113.35	294.70	3.35	-110.00
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417119	0	31	-2.0	-106.10	294.53	2.50	-103.60
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)C=C1F	REAL300000417120	0	28	-2.0	-107.64	296.02	5.70	-101.94
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OC	REAL300000417121	0	38	-2.0	-105.70	352.03	5.75	-99.95
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1)OCO2	REAL300000417123	1	34	-2.0	-104.25	311.01	4.50	-99.75
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417124	0	34	-2.0	-106.14	320.30	6.30	-99.84
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000417125	0	34	-2.0	-98.32	335.02	6.66	-91.66
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000417125	1	33	-3.0	-169.26	332.14	6.66	-162.60
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000417126	1	38	-2.0	-108.89	341.00	4.89	-104.00
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417127	0	37	-2.0	-120.37	336.98	7.37	-113.00
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417128	0	36	-2.0	-109.47	327.69	3.39	-106.08
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)C=C1F	REAL300000417129	0	34	-2.0	-114.82	331.11	6.58	-108.24
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000417130	0	31	-2.0	-110.16	314.87	2.53	-107.63
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000417130	1	30	-3.0	-164.15	311.58	1.41	-162.74
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000417131	1	35	-2.0	-109.43	331.13	4.06	-105.37
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OC	REAL300000417132	0	36	-2.0	-105.17	341.73	4.80	-100.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C=C1F	REAL300000417133	1	32	-2.0	-105.21	315.40	4.68	-100.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C=C1F	REAL300000417134	1	31	-2.0	-99.41	314.27	6.10	-93.31
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000417135	0	33	-2.0	-111.18	326.71	0.65	-110.53
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417136	1	32	-2.0	-111.06	302.77	6.30	-104.76
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417137	1	32	-2.0	-115.53	312.18	6.20	-109.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C1F	REAL300000417138	0	28	-2.0	-101.39	299.78	6.11	-95.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(N)=NO1	REAL300000417140	0	29	-2.0	-99.49	276.37	2.45	-97.04
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1)OCC(=O)N2	REAL300000417141	0	38	-2.0	-110.46	348.89	2.06	-108.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C=C1F	REAL300000417142	0	28	-2.0	-100.04	299.93	6.43	-93.61
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417143	0	32	-2.0	-109.85	314.91	5.34	-104.51
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1F	REAL300000417144	0	29	-2.0	-105.10	297.44	3.81	-101.29
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417145	1	35	-2.0	-108.93	314.89	5.11	-103.82
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Br	REAL300000417146	1	29	-2.0	-99.93	310.44	5.93	-94.00
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000417147	1	35	-2.0	-104.13	330.49	5.68	-98.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C=C1F	REAL300000417148	0	30	-2.0	-98.42	319.82	6.27	-92.15
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000417149	0	26	-2.0	-100.90	282.44	4.59	-96.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C=C1F	REAL300000417150	0	30	-2.0	-95.01	316.08	6.15	-88.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000417151	0	30	-2.0	-106.71	286.53	3.87	-102.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1F	REAL300000417152	0	33	-2.0	-109.00	311.12	5.40	-103.60
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000417153	0	34	-2.0	-105.27	330.18	5.76	-99.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000417154	0	34	-2.0	-103.93	329.26	5.72	-98.21
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417155	0	36	-2.0	-116.33	346.07	6.87	-109.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C#N	REAL300000417156	1	32	-2.0	-102.57	309.90	5.92	-96.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1F	REAL300000417157	0	27	-2.0	-95.80	287.67	3.72	-92.08
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000417158	0	32	-2.0	-108.11	304.91	4.39	-103.72
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1[N+](=O)[O-]	REAL300000417159	0	36	-2.0	-118.09	330.71	8.22	-109.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C=C1F	REAL300000417160	1	34	-2.0	-106.99	330.91	6.82	-100.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C=C1F	REAL300000417162	0	32	-2.0	-114.80	317.70	5.91	-108.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1F	REAL300000417163	1	31	-2.0	-105.08	304.09	5.97	-99.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=C1F	REAL300000417164	1	38	-2.0	-113.78	344.13	8.45	-105.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)N(C)N=C1	REAL300000417166	0	31	-2.0	-99.78	286.80	3.50	-96.28
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417167	0	37	-2.0	-110.96	352.05	6.67	-104.29
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CN1C	REAL300000417168	0	40	-2.0	-109.62	371.95	6.25	-103.37
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300000417169	0	26	-2.0	-98.94	273.85	3.58	-95.36
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C(F)C=C1C	REAL300000417170	0	40	-2.0	-105.85	368.06	7.21	-98.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1F	REAL300000417171	0	25	-2.0	-106.10	261.04	3.95	-102.15
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417172	1	42	-2.0	-119.35	381.48	3.23	-116.12
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417173	0	39	-2.0	-115.32	353.25	4.55	-110.77
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000417174	0	34	-2.0	-104.59	317.06	6.11	-98.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000417174	1	33	-3.0	-160.76	314.40	6.14	-154.62
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000417175	0	31	-2.0	-102.99	297.11	1.73	-101.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1F	REAL300000417176	0	28	-2.0	-106.04	292.15	5.62	-100.42
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417177	0	37	-2.0	-108.72	347.45	7.81	-100.91
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417178	0	37	-2.0	-108.39	343.28	7.52	-100.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C=C1F	REAL300000417179	0	31	-2.0	-105.29	312.52	6.94	-98.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1F	REAL300000417180	0	31	-2.0	-108.13	306.48	6.40	-101.73
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417181	1	40	-2.0	-116.03	368.76	7.40	-108.63
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)N(C)N=C1	REAL300000417182	0	37	-2.0	-106.72	341.02	5.03	-101.69
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417183	0	41	-2.0	-115.61	374.72	6.40	-109.21
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C	REAL300000417184	1	40	-2.0	-107.29	362.64	7.15	-100.14
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=C2O1	REAL300000417185	0	39	-2.0	-121.12	347.81	6.24	-114.88
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(F)(F)F	REAL300000417186	1	32	-2.0	-99.42	326.59	6.22	-93.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1F	REAL300000417187	0	31	-2.0	-113.96	296.55	3.66	-110.30
N#CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417188	0	29	-2.0	-110.82	307.71	5.83	-104.99
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417189	1	34	-2.0	-99.68	324.15	6.80	-92.88
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417190	1	35	-2.0	-111.61	321.29	5.26	-106.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1F	REAL300000417191	0	28	-2.0	-107.76	292.27	5.90	-101.86
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C2C=C1	REAL300000417192	1	37	-2.0	-111.79	337.23	7.98	-103.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1F	REAL300000417193	0	25	-2.0	-109.10	277.92	4.49	-104.61
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417194	0	28	-2.0	-105.11	283.49	4.69	-100.42
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000417195	1	41	-2.0	-111.32	365.91	5.39	-105.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1F	REAL300000417196	0	25	-2.0	-105.11	268.22	1.84	-103.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C=C1F	REAL300000417197	0	33	-2.0	-116.91	324.44	6.10	-110.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1F	REAL300000417198	0	27	-2.0	-103.43	276.86	3.15	-100.28
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417199	1	35	-2.0	-105.45	338.16	5.34	-100.11
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417200	0	37	-2.0	-103.78	334.48	4.09	-99.69
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000417201	0	37	-2.0	-103.45	339.12	3.59	-99.86
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C([N+](=O)[O-])=C1	REAL300000417202	0	35	-3.0	-167.98	341.65	7.79	-160.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1F	REAL300000417205	0	31	-2.0	-102.66	306.11	5.50	-97.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C=C1F	REAL300000417206	0	31	-2.0	-108.65	322.44	7.04	-101.61
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417207	0	33	-2.0	-115.27	316.96	4.01	-111.26
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417208	0	27	-2.0	-99.52	278.42	3.33	-96.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C=C1F	REAL300000417209	0	30	-2.0	-103.42	313.60	7.03	-96.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C=C1F	REAL300000417211	0	32	-2.0	-104.75	318.76	3.74	-101.01
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C=C1F	REAL300000417211	1	32	-2.0	-90.25	317.56	4.58	-85.67
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C=C1F	REAL300000417212	0	34	-2.0	-101.80	325.84	6.44	-95.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1F	REAL300000417213	1	35	-2.0	-106.35	319.15	7.14	-99.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1F	REAL300000417214	0	25	-2.0	-111.55	268.22	4.08	-107.47
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2NC1=O	REAL300000417215	1	37	-2.0	-106.16	341.01	4.78	-101.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C=C1F	REAL300000417216	0	34	-2.0	-121.45	330.76	3.46	-117.99
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C(F)(F)F)=N1	REAL300000417217	0	31	-2.0	-108.33	308.58	3.89	-104.44
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1F	REAL300000417218	1	37	-2.0	-106.10	334.76	6.64	-99.46
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000417219	1	29	-2.0	-100.03	296.65	5.47	-94.56
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000417220	0	33	-2.0	-98.81	322.28	6.40	-92.41
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417221	0	34	-2.0	-124.44	317.92	5.97	-118.47
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=C1F	REAL300000417222	0	29	-2.0	-104.56	302.81	4.32	-100.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1F	REAL300000417223	0	32	-3.0	-181.32	322.12	7.46	-173.86
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C=C1F	REAL300000417225	0	32	-2.0	-106.05	321.23	4.91	-101.14
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2N=C1Cl	REAL300000417226	1	36	-2.0	-105.52	346.42	6.44	-99.08
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417227	1	28	-2.0	-132.12	275.29	0.98	-131.14
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C(F)C=C1C	REAL300000417228	0	37	-2.0	-105.71	346.19	6.29	-99.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C1F	REAL300000417229	0	28	-2.0	-98.29	302.50	5.22	-93.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1F	REAL300000417230	0	33	-2.0	-111.44	306.92	1.95	-109.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000417231	0	31	-2.0	-108.45	302.54	5.48	-102.97
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CN=C1C	REAL300000417232	0	36	-2.0	-101.59	336.17	4.38	-97.21
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417233	0	30	-2.0	-100.50	297.49	4.42	-96.08
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C(Br)N1C	REAL300000417234	0	31	-2.0	-116.32	310.55	4.49	-111.83
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(F)(F)F	REAL300000417235	1	34	-2.0	-102.46	324.36	6.55	-95.91
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417236	1	37	-2.0	-116.18	346.89	6.47	-109.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=C1F	REAL300000417237	1	30	-2.0	-100.15	309.68	4.90	-95.25
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=NN1C	REAL300000417239	0	31	-2.0	-105.27	290.59	3.27	-102.00
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000417240	1	32	-2.0	-106.96	301.01	6.12	-100.84
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417241	1	41	-2.0	-120.22	363.89	5.90	-114.32
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417242	0	31	-2.0	-107.53	293.32	3.39	-104.14
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417243	1	35	-2.0	-107.11	341.74	5.27	-101.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)OC(C)C	REAL300000417244	1	43	-2.0	-107.77	382.85	7.86	-99.91
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1F	REAL300000417245	0	28	-2.0	-103.74	285.60	2.56	-101.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C1F	REAL300000417246	0	34	-2.0	-102.36	316.24	4.96	-97.40
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417247	1	41	-2.0	-107.16	379.79	5.40	-101.76
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C12	REAL300000417248	1	42	-2.0	-110.87	364.38	7.20	-103.67
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C=C1F	REAL300000417249	1	30	-2.0	-106.60	318.10	4.95	-101.65
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000417250	0	36	-2.0	-109.52	343.65	4.71	-104.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C=C1F	REAL300000417251	0	36	-2.0	-99.95	341.08	3.60	-96.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C=C1F	REAL300000417252	1	35	-2.0	-114.67	325.93	4.79	-109.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C=C1F	REAL300000417253	0	31	-2.0	-106.07	307.15	2.60	-103.47
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417254	1	41	-2.0	-108.89	364.30	6.03	-102.86
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000417255	1	32	-2.0	-103.20	315.48	4.89	-98.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000417256	0	30	-3.0	-177.16	302.00	5.62	-171.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C1F	REAL300000417257	0	25	-2.0	-110.00	269.29	3.03	-106.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1F	REAL300000417258	0	30	-2.0	-116.86	301.13	4.46	-112.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1F	REAL300000417259	1	33	-2.0	-111.85	305.74	4.87	-106.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C1F	REAL300000417260	0	34	-2.0	-113.71	320.44	7.35	-106.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C=C1F	REAL300000417261	0	31	-2.0	-109.88	310.09	4.11	-105.77
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417262	0	34	-2.0	-111.88	338.31	6.56	-105.32
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417264	0	31	-2.0	-111.08	297.06	6.53	-104.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C=C1F	REAL300000417265	0	32	-2.0	-104.71	314.34	5.15	-99.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1F	REAL300000417266	0	33	-2.0	-115.86	306.23	4.87	-110.99
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000417267	1	37	-2.0	-112.05	352.35	6.52	-105.53
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC=CC(C)=C2S1	REAL300000417268	0	37	-2.0	-109.09	341.02	8.03	-101.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C=C1F	REAL300000417269	0	32	-2.0	-104.85	324.67	5.60	-99.25
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000417274	0	31	-2.0	-112.83	299.84	6.00	-106.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C1F	REAL300000417275	0	27	-2.0	-99.50	294.97	4.23	-95.27
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1Br	REAL300000417276	0	28	-2.0	-101.71	293.50	3.19	-98.52
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000417277	1	33	-2.0	-108.90	313.79	3.49	-105.41
CS(=O)(=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1)C1=CC=CC=C1	REAL300000417278	1	35	-2.0	-128.74	332.12	3.75	-124.99
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000417279	0	34	-2.0	-98.40	326.24	6.24	-92.16
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000417279	1	33	-3.0	-167.14	323.34	6.27	-160.87
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417281	0	32	-2.0	-110.06	304.59	4.88	-105.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C=C1F	REAL300000417282	1	31	-2.0	-100.10	309.52	4.13	-95.97
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000417283	1	36	-2.0	-107.76	332.35	6.86	-100.90
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417284	0	44	-2.0	-114.94	374.34	7.15	-107.79
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000417286	0	31	-2.0	-100.03	313.19	2.27	-97.76
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417287	0	27	-2.0	-97.82	268.68	2.95	-94.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)C=C1F	REAL300000417288	1	32	-2.0	-104.63	319.68	3.18	-101.45
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000417289	1	31	-2.0	-104.23	305.41	6.13	-98.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1F	REAL300000417290	1	34	-2.0	-118.12	318.03	6.02	-112.10
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)=N1	REAL300000417291	1	37	-2.0	-107.96	356.17	6.50	-101.46
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417292	0	37	-2.0	-111.81	350.46	6.38	-105.43
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C([N+](=O)[O-])S1	REAL300000417293	0	30	-2.0	-112.70	304.50	6.23	-106.47
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417294	1	33	-2.0	-122.12	311.46	0.98	-121.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)C=C1F	REAL300000417295	0	30	-2.0	-98.00	308.41	5.04	-92.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=C1F	REAL300000417296	1	31	-2.0	-104.55	311.93	3.24	-101.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1F	REAL300000417297	0	27	-2.0	-111.03	270.42	3.22	-107.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1F	REAL300000417299	0	27	-2.0	-99.89	271.34	3.19	-96.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)C=C1F	REAL300000417301	0	30	-2.0	-107.18	320.53	5.02	-102.16
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417302	0	35	-2.0	-110.87	337.68	6.78	-104.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1F	REAL300000417304	1	28	-2.0	-100.82	292.55	5.60	-95.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C1F	REAL300000417305	0	37	-2.0	-112.15	331.62	5.41	-106.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C=C1F	REAL300000417306	1	35	-2.0	-114.52	335.05	2.89	-111.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1F	REAL300000417307	0	36	-2.0	-115.76	322.11	6.25	-109.51
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417308	0	38	-2.0	-106.30	343.05	4.02	-102.28
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(F)=C1	REAL300000417309	0	37	-2.0	-104.72	352.04	6.69	-98.03
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)S2)C1	REAL300000417311	0	39	-2.0	-107.18	360.25	5.52	-101.66
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000417312	1	43	-2.0	-110.24	379.78	7.38	-102.86
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417314	1	35	-2.0	-119.63	325.86	2.47	-117.16
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(=O)NC1=O	REAL300000417315	1	31	-2.0	-110.02	298.33	1.74	-108.28
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C=C1F	REAL300000417317	1	40	-2.0	-108.81	354.20	6.47	-102.34
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=C2)=N1	REAL300000417318	1	40	-2.0	-108.82	363.40	4.92	-103.90
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)N(C)N=C1	REAL300000417319	0	34	-2.0	-106.42	319.16	4.10	-102.32
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000417320	1	39	-2.0	-111.82	354.64	4.12	-107.70
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417321	0	33	-2.0	-94.60	326.09	6.86	-87.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C=C1F	REAL300000417323	0	35	-2.0	-113.40	336.43	6.83	-106.57
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1F	REAL300000417324	0	34	-2.0	-107.26	334.73	5.77	-101.49
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417325	1	41	-2.0	-112.03	359.96	6.69	-105.34
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C=C1F	REAL300000417328	0	41	-2.0	-105.92	370.92	7.38	-98.54
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000417329	0	33	-2.0	-111.73	315.18	7.14	-104.59
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CN1CC1CC1	REAL300000417330	0	41	-2.0	-118.40	364.05	6.84	-111.56
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300000417331	0	34	-2.0	-101.20	327.36	4.41	-96.79
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C2C1	REAL300000417332	1	39	-2.0	-115.27	353.36	5.51	-109.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1F	REAL300000417333	0	31	-2.0	-105.76	309.68	4.54	-101.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=C1[N+](=O)[O-]	REAL300000417335	1	36	-2.0	-102.61	333.99	7.36	-95.25
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1F	REAL300000417336	0	37	-2.0	-130.17	346.15	7.58	-122.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1F	REAL300000417336	1	36	-3.0	-184.13	339.44	7.71	-176.42
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417337	0	31	-2.0	-93.81	311.53	3.66	-90.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1F	REAL300000417338	0	27	-2.0	-103.94	287.31	3.64	-100.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=C1F	REAL300000417339	1	38	-2.0	-120.14	336.04	8.44	-111.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(F)=C1F	REAL300000417340	0	31	-2.0	-108.69	302.05	5.81	-102.88
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)OC=C1	REAL300000417341	0	31	-2.0	-112.88	302.06	4.49	-108.39
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000417343	0	30	-2.0	-120.63	297.01	4.02	-116.61
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=N1	REAL300000417344	0	40	-2.0	-104.74	357.84	5.80	-98.94
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417346	0	29	-3.0	-168.25	295.37	3.66	-164.59
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417347	0	32	-2.0	-106.69	302.68	5.17	-101.52
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000417349	1	40	-2.0	-106.37	348.16	7.29	-99.08
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417350	1	29	-2.0	-101.10	297.18	5.49	-95.61
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1C(F)(F)F	REAL300000417351	0	31	-2.0	-101.77	303.07	3.67	-98.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1F	REAL300000417352	0	30	-2.0	-117.68	293.09	4.23	-113.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1F	REAL300000417352	1	30	-2.0	-105.31	293.19	4.08	-101.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1F	REAL300000417353	0	32	-2.0	-113.41	303.66	5.00	-108.41
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417354	0	38	-2.0	-105.46	330.92	5.15	-100.31
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C(C)(C)C)=N1	REAL300000417355	0	40	-2.0	-107.09	338.35	5.65	-101.44
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1F	REAL300000417356	0	38	-2.0	-106.55	337.36	5.39	-101.16
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(Br)=N1	REAL300000417357	0	28	-2.0	-105.06	295.17	3.24	-101.82
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1F	REAL300000417359	0	29	-2.0	-91.64	285.33	3.58	-88.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1F	REAL300000417359	1	29	-2.0	-105.49	286.11	2.79	-102.70
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000417360	1	38	-2.0	-106.17	347.12	7.82	-98.35
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417361	0	31	-2.0	-121.93	300.92	2.70	-119.23
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417362	0	34	-2.0	-105.21	312.77	4.19	-101.02
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000417363	0	33	-2.0	-108.77	314.97	5.50	-103.27
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000417364	0	28	-2.0	-102.08	275.15	2.40	-99.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=C1F	REAL300000417365	1	31	-2.0	-103.23	306.62	5.93	-97.30
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000417368	1	35	-2.0	-110.42	333.67	6.99	-103.43
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417369	1	34	-2.0	-101.04	316.78	7.21	-93.83
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417370	0	28	-2.0	-96.84	289.17	0.83	-96.01
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417371	0	42	-2.0	-122.78	370.25	4.69	-118.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1F	REAL300000417373	0	24	-2.0	-99.30	256.67	2.74	-96.56
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417375	0	34	-3.0	-162.98	326.59	5.39	-157.59
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417375	1	35	-2.0	-106.15	329.40	5.35	-100.80
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C(C(N)=O)O1	REAL300000417376	0	32	-2.0	-105.46	309.43	0.65	-104.81
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417377	1	37	-2.0	-107.03	321.64	7.54	-99.49
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1F	REAL300000417378	0	28	-2.0	-101.73	290.16	4.95	-96.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C(Cl)O1	REAL300000417379	0	27	-3.0	-158.11	298.53	4.58	-153.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1F	REAL300000417380	1	33	-2.0	-115.02	306.17	5.55	-109.47
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417381	0	35	-2.0	-107.25	330.34	5.30	-101.95
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1F	REAL300000417382	0	29	-2.0	-109.20	295.74	5.45	-103.75
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417383	0	31	-2.0	-99.61	324.50	4.30	-95.31
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000417384	1	42	-2.0	-108.03	365.50	5.12	-102.91
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000417385	1	42	-2.0	-130.56	370.76	6.97	-123.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1F	REAL300000417386	0	35	-2.0	-106.75	319.83	4.72	-102.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1F	REAL300000417387	0	35	-2.0	-100.99	317.22	4.93	-96.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1F	REAL300000417388	0	38	-2.0	-100.40	330.10	5.85	-94.55
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417389	0	41	-2.0	-117.06	374.72	6.41	-110.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)C=C1F	REAL300000417390	0	33	-2.0	-113.18	321.61	4.06	-109.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C=C1F	REAL300000417390	1	32	-3.0	-193.10	318.40	4.99	-188.11
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=NN2C1	REAL300000417391	0	39	-2.0	-111.48	344.97	3.05	-108.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C=C1F	REAL300000417392	0	34	-2.0	-105.22	336.77	5.94	-99.28
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C1F	REAL300000417393	1	34	-2.0	-107.17	320.68	2.26	-104.91
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C1F	REAL300000417394	0	25	-2.0	-104.07	270.59	3.76	-100.31
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000417395	1	32	-2.0	-96.83	315.80	4.58	-92.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1F	REAL300000417396	0	35	-2.0	-108.39	312.85	5.11	-103.28
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000417397	0	32	-2.0	-104.18	311.10	4.47	-99.71
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417399	0	38	-2.0	-111.61	344.38	6.43	-105.18
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417400	0	31	-2.0	-105.69	292.98	5.75	-99.94
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=C2O1	REAL300000417401	0	36	-2.0	-116.87	327.10	5.62	-111.25
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000417402	0	36	-2.0	-103.22	338.59	4.70	-98.52
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)CC1	REAL300000417403	1	36	-2.0	-108.84	338.16	7.24	-101.60
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417404	0	32	-2.0	-109.11	309.92	5.65	-103.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C=C1F	REAL300000417405	0	34	-2.0	-112.14	323.60	5.66	-106.48
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000417406	1	42	-2.0	-108.69	367.07	6.52	-102.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1F	REAL300000417407	0	25	-2.0	-104.45	275.35	4.47	-99.98
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417408	0	28	-2.0	-95.32	291.88	3.16	-92.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C1F	REAL300000417409	0	30	-2.0	-99.89	304.10	4.23	-95.66
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417410	0	33	-2.0	-120.25	311.67	4.63	-115.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1F	REAL300000417411	1	29	-2.0	-98.91	284.81	3.82	-95.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1F	REAL300000417412	0	31	-2.0	-107.97	308.78	6.47	-101.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C1F	REAL300000417413	0	31	-2.0	-119.81	314.83	4.74	-115.07
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417414	0	35	-2.0	-99.90	320.85	4.81	-95.09
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=C1F	REAL300000417415	1	37	-2.0	-103.95	325.67	7.38	-96.57
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1OC	REAL300000417416	0	36	-2.0	-111.23	325.65	4.96	-106.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C=C1F	REAL300000417417	1	37	-2.0	-115.22	338.26	2.26	-112.96
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Br	REAL300000417418	1	29	-2.0	-100.41	310.47	5.93	-94.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1F	REAL300000417419	0	31	-2.0	-108.41	299.69	5.32	-103.09
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1OC	REAL300000417420	0	36	-2.0	-114.14	332.90	5.30	-108.84
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C2CCCC2)=N1	REAL300000417421	0	41	-2.0	-110.78	358.72	5.93	-104.85
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C2CC2)=N1	REAL300000417422	0	35	-2.0	-110.03	325.23	4.97	-105.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C=C1F	REAL300000417423	1	32	-2.0	-106.20	309.17	4.61	-101.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1F	REAL300000417424	0	31	-2.0	-113.43	299.36	4.24	-109.19
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C21	REAL300000417425	0	33	-2.0	-123.31	314.47	3.44	-119.87
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=C21	REAL300000417426	0	35	-2.0	-110.88	310.87	6.95	-103.93
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CN=C1N	REAL300000417427	1	32	-2.0	-108.68	297.96	2.74	-105.94
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417428	0	28	-2.0	-104.04	287.21	0.91	-103.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1F	REAL300000417430	0	31	-2.0	-104.89	303.63	5.42	-99.47
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C2CCC2)=N1	REAL300000417431	0	38	-2.0	-107.56	341.47	5.44	-102.12
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417432	1	46	-2.0	-110.90	384.16	8.96	-101.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1F	REAL300000417433	0	25	-2.0	-103.95	275.76	4.57	-99.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1F	REAL300000417434	0	38	-2.0	-107.15	343.91	5.69	-101.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1F	REAL300000417435	0	32	-2.0	-110.67	308.06	6.14	-104.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C=C1F	REAL300000417436	0	39	-2.0	-112.50	368.44	7.85	-104.65
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000417437	1	41	-2.0	-115.24	359.72	3.44	-111.80
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C2=NC=CC=C2C=C1	REAL300000417438	0	37	-2.0	-130.58	335.36	6.23	-124.35
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417439	1	37	-2.0	-110.86	334.32	7.25	-103.61
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417440	0	34	-2.0	-98.73	326.20	3.38	-95.35
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417441	0	35	-2.0	-106.27	315.62	4.56	-101.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C=C1F	REAL300000417442	0	32	-2.0	-96.56	326.38	6.38	-90.18
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417443	1	34	-2.0	-108.73	299.60	6.66	-102.07
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417444	0	37	-2.0	-99.22	316.91	4.94	-94.28
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000417445	0	37	-2.0	-107.40	334.44	4.76	-102.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1F	REAL300000417446	0	35	-2.0	-104.91	318.48	4.13	-100.78
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=CN=C1C(F)(F)F	REAL300000417447	0	33	-2.0	-99.58	320.86	4.86	-94.72
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000417448	0	39	-2.0	-106.39	344.20	5.86	-100.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C=C1F	REAL300000417449	0	30	-2.0	-94.20	308.96	5.78	-88.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C=C1F	REAL300000417450	1	31	-2.0	-100.31	315.07	6.10	-94.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1F	REAL300000417451	1	31	-2.0	-106.23	297.91	5.85	-100.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C1F	REAL300000417452	0	28	-2.0	-108.18	291.46	5.41	-102.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C1F	REAL300000417453	0	28	-2.0	-98.92	301.67	5.15	-93.77
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417454	0	31	-2.0	-99.68	292.10	3.26	-96.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C=C1F	REAL300000417456	1	31	-2.0	-99.53	321.85	6.46	-93.07
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000417457	1	34	-2.0	-107.61	303.13	6.37	-101.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1F	REAL300000417458	0	31	-2.0	-107.40	291.85	6.20	-101.20
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417459	1	39	-2.0	-119.04	354.52	7.07	-111.97
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000417461	1	38	-2.0	-112.75	350.18	6.72	-106.03
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417463	0	33	-2.0	-104.65	328.71	5.51	-99.14
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000417464	1	37	-2.0	-107.12	348.35	6.68	-100.44
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000417465	0	29	-2.0	-106.76	302.54	5.88	-100.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)C=C1F	REAL300000417466	0	37	-2.0	-115.99	344.05	5.00	-110.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1F	REAL300000417467	0	28	-2.0	-106.73	289.95	5.28	-101.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1F	REAL300000417468	1	35	-2.0	-110.71	319.17	7.14	-103.57
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=CS1	REAL300000417469	0	29	-2.0	-110.11	292.16	3.49	-106.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C=C1F	REAL300000417470	0	31	-2.0	-105.22	302.19	6.49	-98.73
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417471	0	34	-2.0	-101.83	336.10	5.38	-96.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1F	REAL300000417472	0	35	-2.0	-109.19	324.64	7.20	-101.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1F	REAL300000417473	0	38	-2.0	-103.90	334.69	5.65	-98.25
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417474	0	37	-2.0	-102.07	331.06	4.88	-97.19
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000417475	1	37	-2.0	-112.71	341.13	2.55	-110.16
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417476	0	31	-2.0	-112.27	323.86	1.53	-110.74
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C2=N1	REAL300000417477	0	33	-2.0	-115.76	313.53	3.40	-112.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300000417478	0	31	-2.0	-108.19	296.02	4.63	-103.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1F	REAL300000417479	0	28	-2.0	-99.14	293.78	4.26	-94.88
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417480	0	32	-2.0	-103.14	310.85	4.96	-98.18
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C2CCOCC2)=N1	REAL300000417481	0	42	-2.0	-106.62	368.26	4.17	-102.45
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417482	1	34	-2.0	-108.98	323.15	6.57	-102.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1F	REAL300000417483	1	32	-2.0	-108.79	309.19	4.61	-104.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000417485	0	29	-2.0	-105.98	293.73	3.49	-102.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C2=NC=CC=C12	REAL300000417486	0	39	-2.0	-123.13	341.36	7.38	-115.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1F	REAL300000417488	0	31	-2.0	-104.65	302.61	3.74	-100.91
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417489	1	38	-2.0	-111.91	346.86	5.72	-106.19
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000417490	0	31	-2.0	-102.25	321.60	4.50	-97.75
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417491	0	38	-2.0	-101.80	349.60	6.24	-95.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1F	REAL300000417492	0	41	-2.0	-106.31	356.32	5.97	-100.34
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1F	REAL300000417493	1	39	-2.0	-103.84	358.60	7.89	-95.95
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1F	REAL300000417494	1	31	-2.0	-109.25	291.56	5.95	-103.30
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417495	1	40	-2.0	-111.74	356.62	7.63	-104.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1F	REAL300000417496	0	31	-2.0	-108.79	295.43	5.44	-103.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1F	REAL300000417497	1	30	-2.0	-110.49	300.88	4.43	-106.06
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000417498	0	30	-2.0	-106.21	290.65	1.90	-104.31
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000417499	0	31	-2.0	-102.22	311.62	3.97	-98.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C=C1F	REAL300000417500	0	30	-2.0	-102.68	310.15	4.23	-98.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C=C1F	REAL300000417501	0	33	-2.0	-118.00	326.40	6.22	-111.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1F	REAL300000417502	0	25	-2.0	-100.12	269.67	3.66	-96.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C=C1F	REAL300000417503	1	33	-2.0	-115.21	323.12	6.01	-109.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC=CC=C12	REAL300000417504	1	37	-2.0	-118.40	328.71	7.87	-110.53
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000417506	1	42	-2.0	-106.20	374.53	6.56	-99.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C1F	REAL300000417507	0	28	-2.0	-101.39	297.44	5.65	-95.74
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300000417508	0	34	-2.0	-117.96	333.56	1.33	-116.63
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C2=CC=CC=C2)=N1	REAL300000417509	0	38	-2.0	-112.19	347.33	6.45	-105.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1F	REAL300000417511	0	32	-2.0	-106.25	313.74	6.35	-99.90
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1[N+](=O)[O-]	REAL300000417512	0	31	-2.0	-100.51	315.38	5.84	-94.67
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C=C1F	REAL300000417514	0	24	-2.0	-98.80	273.87	3.46	-95.34
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000417515	1	38	-2.0	-106.51	356.59	6.93	-99.58
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=NN1	REAL300000417516	0	34	-2.0	-104.40	330.29	2.83	-101.57
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1OC	REAL300000417517	0	33	-2.0	-107.81	322.92	3.06	-104.75
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=C1F	REAL300000417518	0	29	-2.0	-93.64	309.18	4.04	-89.60
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=C1F	REAL300000417518	1	28	-3.0	-157.27	306.51	4.07	-153.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1F	REAL300000417519	0	27	-2.0	-95.56	287.57	3.68	-91.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C=C1F	REAL300000417520	0	32	-2.0	-106.23	318.28	6.00	-100.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C=C1F	REAL300000417521	1	32	-2.0	-108.02	315.43	4.68	-103.34
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417522	0	34	-2.0	-104.20	314.34	4.97	-99.23
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000417523	1	35	-2.0	-115.57	323.64	6.81	-108.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C=C1F	REAL300000417524	0	31	-2.0	-108.60	300.60	6.43	-102.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=C1F	REAL300000417525	0	25	-2.0	-98.47	295.02	5.13	-93.34
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000417526	0	28	-2.0	-101.99	289.77	3.10	-98.89
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417527	0	41	-2.0	-107.24	363.71	7.45	-99.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C=C1F	REAL300000417528	1	33	-2.0	-104.41	322.60	5.71	-98.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C=C1F	REAL300000417529	1	39	-2.0	-111.44	358.62	7.87	-103.57
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417530	0	34	-2.0	-118.52	307.77	6.86	-111.66
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)OC=C1	REAL300000417531	0	26	-2.0	-109.61	271.78	3.50	-106.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C=C1F	REAL300000417532	1	33	-2.0	-106.78	324.80	3.63	-103.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C=C1F	REAL300000417533	0	29	-2.0	-109.95	311.43	3.83	-106.12
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000417534	0	37	-2.0	-109.81	351.84	4.09	-105.72
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000417534	1	36	-3.0	-165.52	348.55	2.97	-162.55
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417535	0	30	-2.0	-98.35	297.67	4.42	-93.93
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417536	1	39	-2.0	-112.36	353.60	6.66	-105.70
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C2CC2)=N1	REAL300000417537	0	38	-2.0	-107.52	346.78	5.84	-101.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C2=NSN=C2C=C1	REAL300000417538	0	32	-2.0	-114.06	307.94	4.40	-109.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C=C1F	REAL300000417539	1	34	-2.0	-107.35	332.58	7.82	-99.53
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(=O)NC(=O)N1	REAL300000417540	1	31	-2.0	-111.29	292.80	1.11	-110.18
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C(Cl)S1	REAL300000417541	0	31	-2.0	-110.27	326.24	5.96	-104.31
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417542	0	41	-2.0	-104.77	356.70	6.25	-98.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1F	REAL300000417543	0	25	-2.0	-105.76	268.70	3.55	-102.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1F	REAL300000417544	0	25	-2.0	-100.55	278.73	4.55	-96.00
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417545	0	42	-2.0	-114.28	374.75	5.33	-108.95
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C=C1F	REAL300000417546	0	34	-2.0	-110.26	328.78	7.87	-102.39
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417547	0	36	-2.0	-103.36	322.25	2.78	-100.58
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1F	REAL300000417548	1	35	-2.0	-110.60	313.48	7.20	-103.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=N1	REAL300000417552	1	34	-2.0	-100.61	312.77	2.48	-98.13
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417553	0	34	-2.0	-113.10	317.32	2.87	-110.23
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417555	0	31	-2.0	-107.28	312.63	2.72	-104.56
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000417556	0	34	-2.0	-103.79	317.25	2.45	-101.34
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000417557	0	37	-2.0	-106.48	332.90	5.19	-101.29
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417558	0	37	-2.0	-105.18	333.53	4.77	-100.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C1F	REAL300000417559	0	27	-2.0	-105.77	297.27	3.02	-102.75
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=CO1	REAL300000417560	0	26	-2.0	-108.70	272.90	3.43	-105.27
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)SC=C1	REAL300000417561	0	26	-2.0	-112.82	281.99	4.38	-108.44
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417563	0	34	-2.0	-102.69	311.66	4.30	-98.39
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000417564	0	36	-2.0	-101.62	336.72	4.41	-97.21
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1F	REAL300000417565	0	38	-2.0	-115.55	347.26	7.45	-108.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1F	REAL300000417565	1	37	-3.0	-165.72	344.51	7.48	-158.24
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417566	0	31	-2.0	-112.77	311.77	6.84	-105.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1F	REAL300000417567	0	35	-2.0	-102.72	322.14	5.16	-97.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1F	REAL300000417568	0	35	-2.0	-105.39	323.65	6.19	-99.20
COC1=NOC(CS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417569	1	31	-2.0	-103.23	300.99	1.36	-101.87
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=NN1C(C)C	REAL300000417570	0	37	-2.0	-108.61	333.02	4.84	-103.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=C1F	REAL300000417571	1	35	-2.0	-115.83	329.81	7.24	-108.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1F	REAL300000417572	0	30	-2.0	-104.12	297.30	4.06	-100.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)C=C1F	REAL300000417573	0	28	-2.0	-104.34	309.33	1.16	-103.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C=C1F	REAL300000417575	1	35	-2.0	-107.58	331.42	7.27	-100.31
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C=C1F	REAL300000417576	0	32	-2.0	-108.40	320.38	5.50	-102.90
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1F	REAL300000417577	0	38	-2.0	-107.11	350.44	7.34	-99.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1F	REAL300000417577	1	37	-3.0	-173.02	343.84	7.48	-165.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1F	REAL300000417578	1	29	-2.0	-109.90	280.95	2.18	-107.72
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417579	1	37	-2.0	-110.95	334.76	6.72	-104.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C1F	REAL300000417580	0	31	-2.0	-115.16	309.59	6.03	-109.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1F	REAL300000417581	0	24	-2.0	-97.75	255.57	2.63	-95.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1F	REAL300000417582	0	32	-2.0	-118.72	317.83	4.31	-114.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=C1F	REAL300000417583	1	35	-2.0	-113.14	325.75	7.33	-105.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(Cl)=C1Cl	REAL300000417584	0	31	-2.0	-105.97	316.97	6.64	-99.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C=C1F	REAL300000417585	0	32	-2.0	-101.69	321.40	4.89	-96.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C=C1F	REAL300000417586	0	35	-2.0	-105.83	337.86	6.09	-99.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C(C(F)F)=C1	REAL300000417587	1	35	-2.0	-112.89	320.38	5.62	-107.27
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)OC	REAL300000417588	1	41	-2.0	-107.90	373.87	6.65	-101.25
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(F)=C3)C=C2C1	REAL300000417589	1	41	-2.0	-113.12	369.31	7.56	-105.56
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417590	0	33	-2.0	-116.93	310.73	4.62	-112.31
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417591	0	34	-2.0	-106.23	334.76	3.18	-103.05
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000417592	0	34	-2.0	-126.35	319.27	6.59	-119.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C2=NC=CC=C12	REAL300000417593	0	36	-2.0	-122.60	327.65	6.20	-116.40
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C(C(=O)[O-])O1	REAL300000417594	0	33	-3.0	-164.49	320.52	5.60	-158.89
CCC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C(C(=O)[O-])O1	REAL300000417594	1	34	-2.0	-117.65	323.21	5.02	-112.63
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417595	0	41	-2.0	-115.88	359.38	7.03	-108.85
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)C=C(Cl)S1	REAL300000417596	0	28	-2.0	-100.41	295.20	5.44	-94.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1F	REAL300000417597	0	24	-2.0	-104.23	256.52	2.15	-102.08
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1F	REAL300000417598	0	35	-2.0	-109.41	315.66	4.36	-105.05
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000417599	0	31	-2.0	-110.92	296.84	5.76	-105.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=CC=C1F	REAL300000417653	0	30	-2.0	-97.01	304.83	4.27	-92.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1	REAL300000417654	0	30	-2.0	-87.53	300.28	4.24	-83.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000417655	0	30	-2.0	-99.00	300.31	4.24	-94.76
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1	REAL300000417656	0	34	-2.0	-104.73	328.44	4.03	-100.70
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1	REAL300000417657	0	34	-2.0	-87.71	331.75	5.53	-82.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000417658	0	33	-2.0	-101.26	320.37	4.88	-96.38
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000417659	0	30	-2.0	-95.46	313.37	4.81	-90.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=CC=C1Cl	REAL300000417660	0	30	-2.0	-95.14	312.81	4.63	-90.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1C	REAL300000417661	0	36	-2.0	-102.68	333.48	5.62	-97.06
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000417662	0	30	-2.0	-96.57	305.78	4.29	-92.28
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1	REAL300000417663	0	36	-2.0	-86.88	343.87	5.82	-81.06
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000417664	0	27	-2.0	-93.64	293.48	3.26	-90.38
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1	REAL300000417665	0	33	-2.0	-100.93	315.74	5.02	-95.91
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1	REAL300000417666	0	34	-2.0	-86.27	331.37	4.52	-81.75
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000417667	0	31	-2.0	-97.46	306.94	3.59	-93.87
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1	REAL300000417668	1	34	-2.0	-101.40	324.50	3.06	-98.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000417669	0	30	-2.0	-89.95	309.41	3.92	-86.03
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000417670	0	36	-2.0	-101.99	331.76	5.55	-96.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=CS1	REAL300000417671	0	27	-2.0	-95.14	291.95	3.27	-91.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000417672	0	34	-2.0	-104.90	327.59	4.30	-100.60
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1	REAL300000417673	0	39	-2.0	-102.92	354.20	6.25	-96.67
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1	REAL300000417674	0	36	-2.0	-99.83	330.42	5.96	-93.87
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1	REAL300000417675	0	37	-2.0	-104.38	350.73	4.79	-99.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=CC(C(=O)[O-])=C1	REAL300000417676	0	32	-3.0	-171.58	329.49	4.89	-166.69
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(F)(F)F)N=C2)=CC(C(=O)[O-])=C1	REAL300000417676	1	33	-2.0	-109.50	332.15	4.84	-104.66
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000417677	0	37	-2.0	-104.61	345.33	6.22	-98.39
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000417678	0	30	-2.0	-94.09	303.31	3.38	-90.71
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000417679	0	34	-2.0	-100.01	330.07	3.40	-96.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C(Cl)C=C1F	REAL300000417680	0	30	-2.0	-92.56	317.89	4.82	-87.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=CC=C1OCC(=O)[O-]	REAL300000417681	0	37	-2.0	-86.67	351.46	5.23	-81.44
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1	REAL300000417682	0	33	-2.0	-91.80	321.01	5.05	-86.75
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1F	REAL300000417683	0	34	-2.0	-86.15	337.60	4.58	-81.57
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000417684	0	37	-2.0	-105.48	349.43	5.22	-100.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C(C(=O)[O-])S1	REAL300000417685	0	30	-2.0	-97.36	310.00	4.12	-93.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C(Cl)=C1	REAL300000417686	0	30	-2.0	-85.19	313.36	4.80	-80.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1F	REAL300000417687	0	30	-2.0	-87.27	304.82	4.28	-82.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)S1	REAL300000417688	0	27	-2.0	-88.83	292.57	3.36	-85.47
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000417689	0	30	-2.0	-90.27	306.71	4.30	-85.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1F	REAL300000417690	0	33	-2.0	-97.78	326.07	4.94	-92.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C(F)=C1	REAL300000417691	0	30	-2.0	-86.53	305.75	4.31	-82.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1Cl	REAL300000417692	0	30	-2.0	-85.22	312.79	4.64	-80.58
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1	REAL300000417693	0	33	-2.0	-93.40	329.74	5.44	-87.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=CC(F)=C1F	REAL300000417694	0	30	-2.0	-88.88	311.13	4.33	-84.55
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000417695	0	32	-2.0	-84.80	328.50	4.91	-79.89
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000417696	0	31	-2.0	-100.16	310.02	1.95	-98.21
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1	REAL300000417697	0	33	-2.0	-91.19	322.47	5.01	-86.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=CC(Cl)=C1F	REAL300000417698	0	30	-2.0	-90.18	321.02	4.77	-85.41
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1	REAL300000417699	0	33	-2.0	-94.89	310.34	4.87	-90.02
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=CC(C(=O)[O-])=C1F	REAL300000417700	0	33	-2.0	-98.12	325.14	4.89	-93.23
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1	REAL300000417701	0	33	-2.0	-88.07	315.71	5.01	-83.06
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=CC(C(=O)[O-])=C1C	REAL300000417702	0	36	-2.0	-102.99	337.13	5.41	-97.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=CC=C1[N+](=O)[O-]	REAL300000417703	0	32	-2.0	-98.42	326.86	5.32	-93.10
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000417704	0	30	-2.0	-88.40	312.84	4.44	-83.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C(C)=C1C(=O)[O-]	REAL300000417705	0	36	-2.0	-99.37	333.69	5.64	-93.73
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000417706	0	33	-2.0	-98.71	325.62	4.93	-93.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1Cl	REAL300000417707	0	33	-2.0	-97.05	332.04	5.36	-91.69
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000417708	0	33	-2.0	-102.73	326.10	5.02	-97.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000417709	0	36	-2.0	-100.64	334.53	5.41	-95.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1CC(=O)[O-]	REAL300000417710	0	37	-2.0	-101.42	350.76	4.36	-97.06
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1	REAL300000417711	0	33	-2.0	-88.58	326.56	5.42	-83.16
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000417712	0	33	-2.0	-96.71	331.53	5.20	-91.51
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000417713	0	34	-2.0	-98.70	328.33	4.46	-94.24
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000417714	0	33	-2.0	-93.52	334.04	5.31	-88.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000417715	0	33	-2.0	-87.49	316.31	4.78	-82.71
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1	REAL300000417716	0	33	-2.0	-98.71	320.25	5.05	-93.66
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1[N+](=O)[O-]	REAL300000417717	0	32	-2.0	-105.61	324.04	6.08	-99.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1F	REAL300000417718	0	30	-2.0	-102.20	303.96	4.26	-97.94
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000417719	0	33	-2.0	-91.78	325.24	4.91	-86.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=CC2=CC=CC=C21	REAL300000417720	0	36	-2.0	-106.84	341.35	6.37	-100.47
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000417721	0	29	-2.0	-96.49	296.52	2.36	-94.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1	REAL300000417722	0	34	-2.0	-91.37	328.51	4.03	-87.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)=C(Cl)O1	REAL300000417723	0	27	-2.0	-87.76	300.45	3.21	-84.55
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(F)(F)F)N=C3)C=C2)CC1	REAL300000417724	0	37	-2.0	-94.21	346.43	6.11	-88.10
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(F)(F)F)N=C3)C=C2C1	REAL300000417725	0	37	-2.0	-95.98	346.52	6.19	-89.79
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000417726	0	33	-2.0	-94.17	322.43	4.23	-89.94
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000417727	0	44	-2.0	-108.53	382.69	7.15	-101.38
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C1CC1	REAL300000417728	0	44	-2.0	-98.26	378.12	7.13	-91.13
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C1CC1	REAL300000417729	0	44	-2.0	-110.87	378.16	7.11	-103.76
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1C1CC1	REAL300000417730	0	48	-2.0	-117.63	406.29	6.93	-110.70
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C1CC1	REAL300000417731	0	48	-2.0	-97.46	409.59	8.42	-89.04
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000417732	0	47	-2.0	-113.19	398.23	7.76	-105.43
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C1CC1	REAL300000417733	0	44	-2.0	-107.48	391.21	7.69	-99.79
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000417734	0	44	-2.0	-106.96	390.66	7.51	-99.45
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C1CC1	REAL300000417735	0	50	-2.0	-115.34	410.80	8.47	-106.87
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C1CC1	REAL300000417736	0	44	-2.0	-109.19	383.62	7.18	-102.01
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C1CC1	REAL300000417737	0	50	-2.0	-96.99	421.72	8.71	-88.28
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C1CC1	REAL300000417738	0	41	-2.0	-105.58	371.32	6.15	-99.43
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C1CC1	REAL300000417739	0	47	-2.0	-113.22	393.57	7.91	-105.31
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C1CC1	REAL300000417740	0	48	-2.0	-96.15	409.21	7.40	-88.75
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000417741	0	45	-2.0	-109.14	384.79	6.48	-102.66
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1C1CC1	REAL300000417742	0	48	-2.0	-113.48	402.35	5.95	-107.53
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C1CC1	REAL300000417743	0	44	-2.0	-101.14	387.24	6.80	-94.34
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1C1CC1	REAL300000417744	0	50	-2.0	-114.38	409.59	8.44	-105.94
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C1CC1	REAL300000417745	0	41	-2.0	-106.78	369.80	6.16	-100.62
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000417746	0	48	-2.0	-117.21	405.43	7.19	-110.02
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C(C)CC)N=C1	REAL300000417747	0	50	-2.0	-109.29	403.13	8.77	-100.52
CCC(C)N1N=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C1CC1	REAL300000417748	0	44	-2.0	-105.68	381.14	6.27	-99.41
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C1CC1	REAL300000417749	0	48	-2.0	-111.00	407.12	6.22	-104.78
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C1CC1	REAL300000417750	0	47	-2.0	-103.37	398.84	7.94	-95.43
CCC(C)N1N=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C1CC1	REAL300000417751	0	44	-2.0	-109.26	387.83	7.01	-102.25
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C1CC1	REAL300000417752	0	44	-2.0	-95.57	391.21	7.69	-87.88
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C1CC1	REAL300000417753	0	44	-2.0	-97.70	382.67	7.17	-90.53
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C1CC1	REAL300000417754	0	41	-2.0	-99.93	370.40	6.24	-93.69
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C1CC1	REAL300000417755	0	44	-2.0	-101.95	384.56	7.18	-94.77
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C1CC1	REAL300000417756	0	47	-2.0	-110.68	403.89	7.83	-102.85
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C1CC1	REAL300000417757	0	44	-2.0	-97.63	383.61	7.20	-90.43
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C1CC1	REAL300000417758	0	44	-2.0	-95.73	390.64	7.53	-88.20
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000417759	0	44	-2.0	-100.13	388.96	7.22	-92.91
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C1CC1	REAL300000417760	0	45	-2.0	-112.43	387.86	4.84	-107.59
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C1CC1	REAL300000417761	0	47	-2.0	-102.35	400.33	7.90	-94.45
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C1CC1	REAL300000417762	0	47	-2.0	-105.76	388.20	7.75	-98.01
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000417763	0	47	-2.0	-110.17	402.98	7.78	-102.39
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1C1CC1	REAL300000417764	0	47	-2.0	-98.59	393.54	7.91	-90.68
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000417765	0	50	-2.0	-115.17	414.95	8.28	-106.89
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C1CC1	REAL300000417766	0	44	-2.0	-100.46	389.89	7.25	-93.21
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C1CC1	REAL300000417767	0	50	-2.0	-109.88	412.62	8.50	-101.38
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C1CC1	REAL300000417768	0	47	-2.0	-110.35	399.62	7.73	-102.62
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C1CC1	REAL300000417769	0	47	-2.0	-114.51	403.16	7.81	-106.70
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C(C)CC)N=C2)C=C1C(=O)[O-]	REAL300000417770	0	50	-2.0	-113.16	412.39	8.30	-104.86
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000417771	0	48	-2.0	-110.42	406.18	7.35	-103.07
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C1CC1	REAL300000417772	0	47	-2.0	-98.37	394.16	7.67	-90.70
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1C1CC1	REAL300000417773	0	47	-2.0	-110.64	397.67	7.96	-102.68
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C1CC1	REAL300000417774	0	44	-2.0	-113.58	381.79	7.15	-106.43
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000417775	0	47	-2.0	-102.88	399.30	7.70	-95.18
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C1CC1	REAL300000417776	0	43	-2.0	-109.30	375.12	5.20	-104.10
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1C1CC1	REAL300000417777	0	48	-2.0	-102.50	406.34	6.92	-95.58
CCC(C)N1N=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C1CC1	REAL300000417778	0	41	-2.0	-99.22	378.28	6.10	-93.12
CCC1=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C(C)CC)N=C2)C=C(C(=O)[O-])O1	REAL300000417779	0	47	-2.0	-104.04	395.43	7.07	-96.97
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CNC1=O	REAL300000417812	0	34	-2.0	-110.93	314.46	2.70	-108.23
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CNC1=O	REAL300000417843	0	32	-2.0	-103.08	294.19	0.73	-102.35
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CNC1=O	REAL300000417851	1	31	-2.0	-88.25	302.36	2.68	-85.57
CC1=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=CNC1=O	REAL300000417852	1	28	-2.0	-86.02	298.90	2.43	-83.59
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CNC1=O	REAL300000417865	0	31	-2.0	-87.51	315.77	3.10	-84.41
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CNC1=O	REAL300000417879	1	28	-2.0	-88.19	290.32	1.52	-86.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=CC=C1F	REAL300000417885	1	34	-2.0	-106.46	326.33	3.54	-102.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1	REAL300000417886	1	34	-2.0	-96.55	321.77	3.52	-93.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417887	1	34	-2.0	-108.89	321.78	3.51	-105.38
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1	REAL300000417888	0	38	-2.0	-114.02	349.92	3.31	-110.71
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1	REAL300000417889	1	38	-2.0	-96.11	353.25	4.81	-91.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1C(=O)[O-]	REAL300000417890	1	37	-2.0	-110.02	337.80	4.04	-105.98
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417891	0	34	-2.0	-104.24	334.85	4.08	-100.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=CC=C1Cl	REAL300000417892	1	34	-2.0	-104.73	334.30	3.90	-100.83
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1C	REAL300000417893	1	40	-2.0	-111.34	354.18	4.82	-106.52
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417894	0	34	-2.0	-105.85	327.26	3.57	-102.28
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1	REAL300000417895	1	40	-2.0	-95.33	365.37	5.09	-90.24
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417896	0	31	-2.0	-103.23	314.97	2.52	-100.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1	REAL300000417897	1	37	-2.0	-109.49	337.22	4.29	-105.20
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1	REAL300000417898	1	38	-2.0	-94.84	352.86	3.79	-91.05
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1C(=O)[O-]	REAL300000417899	0	35	-2.0	-107.34	328.43	2.87	-104.47
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417901	0	34	-2.0	-99.37	330.90	3.20	-96.17
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1C(=O)[O-]	REAL300000417902	1	40	-2.0	-111.03	352.85	4.86	-106.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=CS1	REAL300000417903	0	31	-2.0	-104.68	313.43	2.54	-102.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1C(=O)[O-]	REAL300000417904	1	38	-2.0	-114.74	349.07	3.58	-111.16
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417905	1	44	-2.0	-113.23	377.04	6.12	-107.11
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1	REAL300000417906	1	43	-2.0	-111.54	375.68	5.51	-106.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1	REAL300000417907	1	40	-2.0	-107.78	351.93	5.23	-102.55
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1	REAL300000417908	0	41	-2.0	-114.87	372.21	4.08	-110.79
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417909	0	37	-2.0	-114.23	356.89	3.93	-110.30
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417909	1	36	-3.0	-184.27	350.19	4.08	-180.19
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417910	1	41	-2.0	-113.59	366.03	5.41	-108.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C(C(=O)[O-])O1	REAL300000417911	0	34	-2.0	-102.63	324.79	2.65	-99.98
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417912	0	38	-2.0	-110.03	350.77	2.60	-107.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C(Cl)C=C1F	REAL300000417913	0	34	-2.0	-101.01	339.38	4.10	-96.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=CC=C1OCC(=O)[O-]	REAL300000417914	1	41	-2.0	-95.32	372.94	4.50	-90.82
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1	REAL300000417915	1	37	-2.0	-100.12	342.49	4.33	-95.79
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1F	REAL300000417916	1	38	-2.0	-94.26	359.07	3.86	-90.40
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1C(=O)[O-]	REAL300000417917	1	41	-2.0	-115.45	370.94	4.49	-110.96
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C(C(=O)[O-])S1	REAL300000417918	0	34	-2.0	-105.93	330.38	3.40	-102.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C(Cl)=C1	REAL300000417919	0	34	-2.0	-94.16	334.83	4.07	-90.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1F	REAL300000417920	1	34	-2.0	-96.10	326.31	3.55	-92.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)S1	REAL300000417921	0	31	-2.0	-98.20	314.06	2.64	-95.56
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417922	1	34	-2.0	-99.78	328.19	3.58	-96.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1F	REAL300000417923	0	37	-2.0	-107.26	347.54	4.22	-103.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C(F)=C1	REAL300000417924	0	34	-2.0	-96.03	327.25	3.58	-92.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1Cl	REAL300000417925	1	34	-2.0	-94.17	334.28	3.91	-90.26
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1	REAL300000417926	1	37	-2.0	-101.76	351.23	4.71	-97.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=CC(F)=C1F	REAL300000417927	1	34	-2.0	-98.02	332.60	3.60	-94.42
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417928	0	36	-2.0	-93.94	349.97	4.18	-89.76
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417929	0	35	-2.0	-108.15	331.50	1.22	-106.93
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417929	1	35	-2.0	-107.75	330.70	2.02	-105.73
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1	REAL300000417930	1	37	-2.0	-99.88	343.97	4.29	-95.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=CC(Cl)=C1F	REAL300000417931	1	34	-2.0	-99.42	342.49	4.04	-95.38
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1	REAL300000417932	1	37	-2.0	-105.40	331.85	4.15	-101.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=CC(C(=O)[O-])=C1F	REAL300000417933	1	37	-2.0	-107.74	346.63	4.16	-103.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=CC(C(=O)[O-])=C1C	REAL300000417935	1	40	-2.0	-111.94	354.67	4.58	-107.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=CC=C1[N+](=O)[O-]	REAL300000417936	0	36	-2.0	-107.31	348.34	4.60	-102.71
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417937	0	34	-2.0	-97.67	333.54	3.64	-94.03
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1C(=O)[O-]	REAL300000417939	0	37	-2.0	-106.95	343.26	4.11	-102.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1Cl	REAL300000417940	0	37	-2.0	-106.02	353.55	4.65	-101.37
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417941	0	37	-2.0	-114.11	346.80	4.20	-109.91
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1C(=O)[O-]	REAL300000417942	1	40	-2.0	-110.80	356.02	4.70	-106.10
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1CC(=O)[O-]	REAL300000417943	1	41	-2.0	-110.32	372.26	3.64	-106.68
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1	REAL300000417944	1	37	-2.0	-99.50	352.32	4.77	-94.73
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000417945	1	37	-2.0	-106.49	353.02	4.47	-102.02
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1C(=O)[O-]	REAL300000417946	0	38	-2.0	-108.61	349.80	3.73	-104.88
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1C(=O)[O-]	REAL300000417947	1	37	-2.0	-103.43	355.52	4.58	-98.85
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=CC=C1C(=O)[O-]	REAL300000417948	1	37	-2.0	-96.69	337.79	4.05	-92.64
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1	REAL300000417949	1	37	-2.0	-106.85	341.74	4.33	-102.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1[N+](=O)[O-]	REAL300000417950	0	36	-2.0	-116.55	345.51	5.36	-111.19
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1F	REAL300000417951	0	34	-2.0	-113.34	325.40	3.54	-109.80
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C1C(=O)[O-]	REAL300000417952	1	37	-2.0	-101.64	346.73	4.19	-97.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=CC2=CC=CC=C21	REAL300000417953	1	40	-2.0	-117.17	362.83	5.63	-111.54
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C1	REAL300000417954	0	33	-2.0	-105.68	318.77	1.56	-104.12
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1	REAL300000417955	0	38	-2.0	-100.77	349.99	3.31	-97.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)=C(Cl)O1	REAL300000417956	0	31	-2.0	-96.67	321.93	2.50	-94.17
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NC=CO4)=C3)C=C2)CC1	REAL300000417957	1	41	-2.0	-102.97	367.91	5.40	-97.57
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NC=CO4)=C3)C=C2C1	REAL300000417958	1	41	-2.0	-106.90	367.22	5.40	-101.50
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2)C=C(C(=O)[O-])O1	REAL300000417959	0	37	-2.0	-102.47	343.92	3.50	-98.97
COC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000417960	1	32	-2.0	-93.06	316.43	4.94	-88.12
COC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000417961	1	32	-2.0	-105.34	316.45	4.93	-100.41
COC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000417962	0	29	-2.0	-99.66	309.63	3.94	-95.72
COC1=CC(Br)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000417963	0	33	-2.0	-103.80	323.10	4.28	-99.52
COC1=CC(Br)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000417964	0	29	-2.0	-101.13	308.10	3.96	-97.17
COC1=CC(Br)=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000417965	0	32	-2.0	-99.35	319.46	4.06	-95.29
COC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000417966	0	29	-2.0	-94.63	308.72	4.06	-90.57
COC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000417967	0	31	-2.0	-103.00	312.67	3.05	-99.95
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C(F)F	REAL300000417968	0	38	-2.0	-92.68	360.46	2.01	-90.67
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C(F)F	REAL300000417969	0	31	-2.0	-102.39	304.19	3.48	-98.91
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1	REAL300000417970	0	39	-2.0	-105.14	359.28	4.53	-100.61
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C(F)F	REAL300000417971	0	31	-2.0	-99.35	303.98	3.44	-95.91
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C(F)F	REAL300000417972	0	31	-2.0	-106.80	299.65	3.45	-103.35
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1	REAL300000417973	0	35	-2.0	-111.91	327.81	3.24	-108.67
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C(F)F	REAL300000417974	0	35	-2.0	-98.68	335.45	4.73	-93.95
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000417975	0	34	-2.0	-105.63	315.66	3.97	-101.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)=C1C	REAL300000417976	0	37	-2.0	-114.07	337.09	4.76	-109.31
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C(F)F	REAL300000417977	0	31	-2.0	-103.55	305.14	3.49	-100.06
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C(F)F	REAL300000417978	0	37	-2.0	-97.90	347.56	5.02	-92.88
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C(F)F	REAL300000417979	0	28	-2.0	-101.22	292.83	2.47	-98.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1	REAL300000417980	0	34	-2.0	-107.99	315.06	4.23	-103.76
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C(F)F	REAL300000417981	0	35	-2.0	-97.41	335.07	3.71	-93.70
CN1C=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000417982	0	32	-2.0	-110.15	310.64	2.79	-107.36
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1	REAL300000417983	0	35	-2.0	-108.44	323.83	2.27	-106.17
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)=C1	REAL300000417984	0	31	-2.0	-102.27	313.10	3.11	-99.16
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000417985	0	37	-2.0	-113.42	335.43	4.77	-108.65
CN1N=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C(F)F	REAL300000417986	0	28	-2.0	-100.84	291.30	2.48	-98.36
COC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000417987	0	39	-2.0	-107.31	357.98	3.25	-104.06
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000417988	0	35	-2.0	-112.84	326.94	3.52	-109.32
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C(F)F	REAL300000417989	0	41	-2.0	-116.12	359.22	6.07	-110.05
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1	REAL300000417990	0	40	-2.0	-114.22	357.88	5.45	-108.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1	REAL300000417991	0	37	-2.0	-110.21	331.81	5.09	-105.12
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1	REAL300000417992	0	38	-2.0	-112.21	350.09	4.01	-108.20
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C(F)F	REAL300000417993	0	33	-3.0	-179.90	328.05	4.01	-175.89
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C(F)F	REAL300000417994	0	38	-2.0	-116.43	346.84	5.35	-111.08
CC1=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C(C(=O)[O-])O1	REAL300000417995	0	31	-2.0	-105.50	306.99	2.58	-102.92
CN1N=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C(F)F	REAL300000417996	0	37	-2.0	-116.70	346.16	3.21	-113.49
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)=C1	REAL300000417997	0	35	-2.0	-112.63	332.95	2.53	-110.10
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1C(F)F	REAL300000417998	0	39	-2.0	-94.06	353.28	4.05	-90.01
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1C(F)F	REAL300000417999	0	35	-2.0	-90.75	346.75	4.26	-86.49
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000418000	0	38	-2.0	-92.63	350.80	4.43	-88.20
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1	REAL300000418001	0	34	-2.0	-102.93	324.70	4.26	-98.67
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C(F)F	REAL300000418002	0	35	-2.0	-91.72	336.95	3.80	-87.92
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000418003	0	38	-2.0	-111.11	348.79	4.42	-106.69
CC1=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C(C(=O)[O-])S1	REAL300000418004	0	31	-2.0	-108.72	312.61	3.33	-105.39
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C(F)F	REAL300000418005	0	31	-2.0	-91.38	312.71	4.01	-87.37
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C(F)F	REAL300000418006	0	31	-2.0	-93.37	304.18	3.48	-89.89
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C(F)F	REAL300000418007	0	28	-2.0	-95.14	291.91	2.57	-92.57
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C(F)F	REAL300000418008	0	31	-2.0	-96.03	306.06	3.51	-92.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)=C1F	REAL300000418009	0	34	-2.0	-110.25	329.73	4.13	-106.12
COC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000418010	0	35	-2.0	-95.99	339.97	4.08	-91.91
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(F)F	REAL300000418011	0	31	-2.0	-92.81	305.12	3.51	-89.30
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C(F)F	REAL300000418012	0	31	-2.0	-91.40	312.15	3.85	-87.55
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1	REAL300000418013	0	34	-2.0	-104.63	333.43	4.64	-99.99
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C(F)F	REAL300000418014	0	39	-2.0	-95.43	367.73	4.84	-90.59
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(F)F	REAL300000418015	0	33	-2.0	-91.87	327.83	4.11	-87.76
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C(F)F	REAL300000418016	0	31	-3.0	-198.39	305.81	2.03	-196.36
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C(F)F	REAL300000418016	1	32	-2.0	-106.97	309.36	1.15	-105.82
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C(F)F	REAL300000418017	0	34	-2.0	-102.82	326.16	4.21	-98.61
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C(F)F	REAL300000418018	0	31	-2.0	-97.57	320.36	3.97	-93.60
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1	REAL300000418019	0	34	-2.0	-100.82	309.70	4.07	-96.75
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000418020	0	34	-2.0	-105.96	324.49	4.09	-101.87
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1	REAL300000418021	0	34	-2.0	-94.55	315.06	4.21	-90.34
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000418022	0	37	-2.0	-107.51	332.52	4.51	-103.00
CN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C(F)F	REAL300000418023	0	33	-2.0	-103.36	326.20	4.54	-98.82
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C(F)F	REAL300000418024	0	31	-2.0	-100.58	315.72	3.56	-97.02
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000418025	0	37	-2.0	-105.11	334.14	4.82	-100.29
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000418026	0	34	-2.0	-104.61	321.14	4.04	-100.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)=C1Cl	REAL300000418027	0	34	-2.0	-108.90	335.76	4.56	-104.34
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)=C1	REAL300000418028	0	34	-2.0	-116.59	329.02	4.12	-112.47
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000418029	0	37	-2.0	-106.26	333.97	4.63	-101.63
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C1CC(=O)[O-]	REAL300000418030	0	38	-2.0	-108.85	350.12	3.57	-105.28
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1	REAL300000418031	0	34	-2.0	-101.32	330.25	4.62	-96.70
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1C(F)F	REAL300000418032	0	34	-2.0	-90.40	329.77	4.25	-86.15
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000418033	0	34	-2.0	-104.58	330.88	4.40	-100.18
CCN1C=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000418034	0	35	-2.0	-111.42	332.01	3.66	-107.76
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000418035	0	43	-2.0	-104.46	364.79	6.32	-98.14
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000418036	0	34	-2.0	-101.24	333.42	4.51	-96.73
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000418037	0	35	-2.0	-107.92	339.99	4.09	-103.83
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000418038	0	34	-2.0	-94.05	315.65	3.99	-90.06
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1C(F)F	REAL300000418039	0	36	-2.0	-103.48	347.24	5.63	-97.85
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1	REAL300000418040	0	34	-2.0	-105.73	319.57	4.26	-101.47
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C(F)F	REAL300000418041	0	33	-2.0	-118.63	327.74	5.30	-113.33
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C(F)F	REAL300000418042	0	31	-2.0	-107.95	303.30	3.45	-104.50
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000418043	0	34	-2.0	-99.43	324.60	4.12	-95.31
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C(F)F	REAL300000418044	0	37	-2.0	-120.03	345.03	5.57	-114.46
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C(F)F	REAL300000418045	0	30	-2.0	-108.55	300.98	1.49	-107.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1	REAL300000418046	0	35	-2.0	-97.92	327.87	3.25	-94.67
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C(F)F	REAL300000418047	0	28	-2.0	-99.73	304.09	2.41	-97.32
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C(F)F	REAL300000418048	0	38	-2.0	-105.77	350.11	5.31	-100.46
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C(F)F	REAL300000418049	0	38	-2.0	-100.54	349.07	5.32	-95.22
CCC1=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2)C=C(C(=O)[O-])O1	REAL300000418050	0	34	-2.0	-101.21	321.78	3.44	-97.77
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=NN1CCO	REAL300000418051	0	42	-2.0	-89.78	380.84	-0.71	-90.49
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1CCO	REAL300000418052	0	35	-2.0	-105.63	328.93	0.74	-104.89
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(CCO)N=C1	REAL300000418053	0	43	-2.0	-107.47	384.01	1.79	-105.68
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1CCO	REAL300000418054	0	35	-2.0	-96.07	324.37	0.71	-95.36
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1CCO	REAL300000418055	0	35	-2.0	-108.47	324.38	0.70	-107.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(CCO)N=C1	REAL300000418056	0	39	-2.0	-114.46	352.52	0.51	-113.95
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=NN1CCO	REAL300000418057	0	39	-2.0	-95.75	355.83	2.00	-93.75
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1CCO	REAL300000418058	0	38	-2.0	-109.12	340.40	1.23	-107.89
CC1=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)C=NN1CCO	REAL300000418059	0	41	-2.0	-112.38	357.05	2.05	-110.33
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=NN1CCO	REAL300000418060	0	35	-2.0	-106.01	329.85	0.78	-105.23
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=NN1CCO	REAL300000418061	0	41	-2.0	-95.11	367.96	2.29	-92.82
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1CCO	REAL300000418062	0	32	-2.0	-102.86	317.57	-0.26	-103.12
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NN1CCO	REAL300000418063	0	38	-2.0	-110.18	339.82	1.49	-108.69
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=NN1CCO	REAL300000418064	0	39	-2.0	-94.46	355.45	0.98	-93.48
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1CCO	REAL300000418065	0	36	-2.0	-106.87	331.03	0.06	-106.81
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=NN1CCO	REAL300000418066	0	39	-2.0	-110.87	348.17	-0.46	-111.33
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)N(CCO)N=C2)=C1	REAL300000418067	0	35	-2.0	-98.71	333.49	0.39	-98.32
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)C=NN1CCO	REAL300000418068	0	41	-2.0	-112.65	359.83	2.13	-110.52
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1CCO	REAL300000418069	0	32	-2.0	-103.89	316.03	-0.25	-104.14
COC1=CC(S(=O)(=O)[N-]C2=C(C)N(CCO)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000418070	0	43	-2.0	-108.80	382.70	0.53	-108.27
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(CCO)N=C2)C=C1C(=O)[O-]	REAL300000418071	0	39	-2.0	-114.33	351.67	0.77	-113.56
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=NN1CCO	REAL300000418072	0	45	-2.0	-113.99	379.61	3.35	-110.64
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=NN1CCO	REAL300000418073	0	44	-2.0	-112.27	378.28	2.72	-109.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(CCO)N=C1	REAL300000418074	0	41	-2.0	-108.56	354.50	2.43	-106.13
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(CCO)N=C1	REAL300000418075	0	42	-2.0	-114.29	374.81	1.27	-113.02
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=NN1CCO	REAL300000418076	0	37	-3.0	-182.21	352.78	1.29	-180.92
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=NN1CCO	REAL300000418077	0	42	-2.0	-114.35	368.63	2.60	-111.75
CC1=C(S(=O)(=O)[N-]C2=C(C)N(CCO)N=C2)C=C(C(=O)[O-])O1	REAL300000418078	0	35	-2.0	-103.05	327.39	-0.15	-103.20
CC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=NN1CCO	REAL300000418079	0	41	-2.0	-112.87	366.56	0.49	-112.38
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=NN1CCO	REAL300000418080	0	39	-2.0	-108.79	353.35	-0.19	-108.98
CC1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=NN1CCO	REAL300000418081	0	43	-2.0	-95.09	377.29	1.31	-93.78
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=NN1CCO	REAL300000418082	0	35	-2.0	-98.19	352.05	1.55	-96.64
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=NN1CCO	REAL300000418083	0	39	-2.0	-92.93	371.47	1.53	-91.40
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=NN1CCO	REAL300000418084	0	42	-2.0	-94.93	375.54	1.69	-93.24
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=NN1CCO	REAL300000418085	0	38	-2.0	-100.64	345.09	1.52	-99.12
CC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)C=NN1CCO	REAL300000418086	0	48	-2.0	-95.04	418.00	2.62	-92.42
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=NN1CCO	REAL300000418087	0	39	-2.0	-93.93	361.66	1.05	-92.88
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(CCO)N=C2)C=C1C(=O)[O-]	REAL300000418088	0	42	-2.0	-114.94	373.51	1.69	-113.25
CC1=C(S(=O)(=O)[N-]C2=C(C)N(CCO)N=C2)C=C(C(=O)[O-])S1	REAL300000418089	0	35	-2.0	-106.45	334.08	0.59	-105.86
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=NN1CCO	REAL300000418090	0	35	-2.0	-98.33	352.61	1.72	-96.61
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=NN1CCO	REAL300000418091	0	35	-2.0	-93.56	337.43	1.26	-92.30
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=NN1CCO	REAL300000418092	0	35	-2.0	-95.56	328.92	0.74	-94.82
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1CCO	REAL300000418093	0	32	-2.0	-97.58	316.65	-0.18	-97.76
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=NN1CCO	REAL300000418094	0	35	-2.0	-99.08	330.80	0.76	-98.32
CC1=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C=NN1CCO	REAL300000418095	0	38	-2.0	-107.45	350.13	1.41	-106.04
COC1=CC(S(=O)(=O)[N-]C2=C(C)N(CCO)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000418096	0	39	-2.0	-98.21	364.69	1.33	-96.88
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=NN1CCO	REAL300000418097	0	35	-2.0	-95.20	329.85	0.77	-94.43
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=NN1CCO	REAL300000418098	0	35	-2.0	-93.55	336.89	1.11	-92.44
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=NN1CCO	REAL300000418099	0	38	-2.0	-102.37	353.83	1.92	-100.45
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=NN1CCO	REAL300000418100	0	43	-2.0	-92.57	388.13	2.11	-90.46
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=NN1CCO	REAL300000418101	0	37	-2.0	-93.54	352.56	1.37	-92.17
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=NN1CCO	REAL300000418102	0	36	-2.0	-109.37	334.10	-1.59	-110.96
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1CCO	REAL300000418103	0	38	-2.0	-99.85	346.56	1.49	-98.36
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=NN1CCO	REAL300000418104	0	35	-2.0	-99.14	345.08	1.23	-97.91
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NN1CCO	REAL300000418105	0	38	-2.0	-103.67	334.42	1.34	-102.33
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)C=NN1CCO	REAL300000418106	0	38	-2.0	-107.00	349.20	1.35	-105.65
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NN1CCO	REAL300000418107	0	38	-2.0	-96.45	339.80	1.48	-94.97
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)C=NN1CCO	REAL300000418108	0	41	-2.0	-111.05	357.26	1.77	-109.28
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=NN1CCO	REAL300000418109	0	37	-2.0	-106.38	350.94	1.80	-104.58
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=NN1CCO	REAL300000418110	0	35	-2.0	-97.54	336.12	0.84	-96.70
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=NN1CCO	REAL300000418111	0	41	-2.0	-108.03	357.91	2.12	-105.91
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C=NN1CCO	REAL300000418112	0	38	-2.0	-108.31	349.70	1.41	-106.90
CC1=C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)C=NN1CCO	REAL300000418113	0	38	-2.0	-106.42	356.16	1.84	-104.58
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=NN1CCO	REAL300000418114	0	38	-2.0	-111.91	349.42	1.40	-110.51
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(CCO)N=C2)C=C1C(=O)[O-]	REAL300000418115	0	41	-2.0	-109.78	358.71	1.88	-107.90
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(CCO)N=C2)C=C1CC(=O)[O-]	REAL300000418116	0	42	-2.0	-110.09	374.86	0.83	-109.26
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=NN1CCO	REAL300000418117	0	38	-2.0	-97.22	350.64	1.89	-95.33
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=NN1CCO	REAL300000418118	0	38	-2.0	-92.63	354.51	1.52	-91.11
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)C=NN1CCO	REAL300000418119	0	38	-2.0	-105.66	355.59	1.66	-104.00
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(CCO)N=C2)C=C1C(=O)[O-]	REAL300000418120	0	39	-2.0	-108.16	352.40	0.93	-107.23
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=NN1CCO	REAL300000418121	0	47	-2.0	-107.39	389.53	3.57	-103.82
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=NN1CCO	REAL300000418122	0	35	-2.0	-96.43	350.00	1.25	-95.18
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=NN1CCO	REAL300000418123	0	38	-2.0	-101.81	354.24	1.67	-100.14
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)N(CCO)N=C2)C=C1C(=O)[O-]	REAL300000418124	0	39	-2.0	-110.26	364.71	1.34	-108.92
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1CCO	REAL300000418125	0	38	-2.0	-96.13	340.39	1.25	-94.88
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=NN1CCO	REAL300000418126	0	40	-2.0	-99.42	365.10	2.88	-96.54
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=NN1CCO	REAL300000418127	0	38	-2.0	-107.89	343.92	1.54	-106.35
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=NN1CCO	REAL300000418128	0	37	-2.0	-113.95	348.12	2.56	-111.39
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=NN1CCO	REAL300000418129	0	35	-2.0	-111.07	328.04	0.73	-110.34
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=NN1CCO	REAL300000418130	0	38	-2.0	-100.13	345.54	1.27	-98.86
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=NN1CCO	REAL300000418131	0	41	-2.0	-116.02	365.42	2.83	-113.19
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1CCO	REAL300000418132	0	34	-2.0	-106.25	321.37	-1.23	-107.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)N(CCO)N=C1	REAL300000418133	0	39	-2.0	-100.23	352.59	0.51	-99.72
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=NN1CCO	REAL300000418134	0	32	-2.0	-96.62	324.53	-0.30	-96.92
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=NN1CCO	REAL300000418135	0	42	-2.0	-103.03	370.51	2.59	-100.44
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=NN1CCO	REAL300000418136	0	42	-2.0	-104.19	368.46	2.57	-101.62
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(CCO)N=C2)C=C(C(=O)[O-])O1	REAL300000418137	0	38	-2.0	-103.05	346.51	0.71	-102.34
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C12	REAL300000418138	0	37	-2.0	-112.71	339.95	4.91	-107.80
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C12	REAL300000418139	0	37	-2.0	-102.50	335.40	4.89	-97.61
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C12	REAL300000418140	0	37	-2.0	-115.48	335.40	4.88	-110.60
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C(OC)C=CN=C12	REAL300000418141	0	41	-2.0	-120.54	363.55	4.68	-115.86
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=CC=C12	REAL300000418142	0	41	-2.0	-101.64	366.86	6.17	-95.47
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=CC=C12	REAL300000418143	0	40	-2.0	-116.72	351.42	5.41	-111.31
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=CC=C12	REAL300000418144	0	37	-2.0	-110.39	348.48	5.45	-104.94
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C12	REAL300000418145	0	37	-2.0	-111.13	347.92	5.27	-105.86
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=CC=C12	REAL300000418146	0	43	-2.0	-117.44	368.51	6.21	-111.23
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=CC=C12	REAL300000418147	0	37	-2.0	-112.50	340.88	4.94	-107.56
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=CC=C12	REAL300000418148	0	43	-2.0	-100.92	378.98	6.46	-94.46
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C12	REAL300000418149	0	34	-2.0	-109.66	328.59	3.89	-105.77
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=CC=C12	REAL300000418150	0	40	-2.0	-115.55	350.83	5.66	-109.89
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=CC=C12	REAL300000418151	0	41	-2.0	-100.32	366.48	5.15	-95.17
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=CC=C12	REAL300000418152	0	38	-2.0	-113.65	342.05	4.23	-109.42
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C=CC=C12	REAL300000418153	0	41	-2.0	-115.71	359.61	3.69	-112.02
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=CC=C12	REAL300000418154	0	37	-2.0	-105.64	344.54	4.55	-101.09
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=CC=C12	REAL300000418155	0	43	-2.0	-116.87	366.85	6.20	-110.67
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C12	REAL300000418156	0	34	-2.0	-111.04	327.06	3.91	-107.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C(OC)C=CN=C23)C=C1C(=O)[O-]	REAL300000418157	0	41	-2.0	-121.34	362.69	4.95	-116.39
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C(OC)C=CN=C12	REAL300000418158	0	43	-2.0	-113.07	365.55	6.59	-106.48
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=CC=C12	REAL300000418159	0	44	-2.0	-120.05	379.65	6.77	-113.28
COC1=CC=NC2=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=CC=C12	REAL300000418160	0	37	-2.0	-108.47	338.41	4.01	-104.46
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=CC=C12	REAL300000418161	0	41	-2.0	-116.28	364.37	3.97	-112.31
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=CC=C12	REAL300000418162	0	40	-2.0	-106.02	356.11	5.69	-100.33
COC1=CC=NC2=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=CC=C12	REAL300000418163	0	37	-2.0	-111.75	345.10	4.76	-106.99
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=CC=C12	REAL300000418164	0	37	-2.0	-99.71	348.46	5.43	-94.28
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C12	REAL300000418165	0	37	-2.0	-101.88	339.93	4.92	-96.96
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C12	REAL300000418166	0	34	-2.0	-104.33	327.66	4.01	-100.32
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C12	REAL300000418167	0	37	-2.0	-106.22	341.81	4.94	-101.28
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=CC=C12	REAL300000418168	0	40	-2.0	-114.03	361.16	5.57	-108.46
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=CC=C12	REAL300000418169	0	37	-2.0	-102.16	340.87	4.94	-97.22
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C12	REAL300000418170	0	37	-2.0	-100.02	347.90	5.28	-94.74
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=CC=C12	REAL300000418171	0	37	-2.0	-104.09	346.22	4.97	-99.12
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=CC=C12	REAL300000418172	0	38	-2.0	-114.19	345.12	2.59	-111.60
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=CC=C12	REAL300000418173	0	40	-2.0	-105.81	357.58	5.65	-100.16
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=CC=C12	REAL300000418174	0	40	-2.0	-111.70	345.44	5.52	-106.18
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=CC=C12	REAL300000418175	0	40	-2.0	-114.09	360.24	5.53	-108.56
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=CC=C12	REAL300000418176	0	40	-2.0	-102.33	350.82	5.65	-96.68
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=CC=C12	REAL300000418177	0	43	-2.0	-118.72	368.87	5.95	-112.77
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=CC=C12	REAL300000418178	0	37	-2.0	-104.12	347.14	5.00	-99.12
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=CC=C12	REAL300000418179	0	43	-2.0	-115.97	369.88	6.27	-109.70
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=CC=C12	REAL300000418180	0	40	-2.0	-113.76	356.88	5.48	-108.28
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=CC=C12	REAL300000418181	0	40	-2.0	-120.91	360.42	5.57	-115.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C(OC)C=CN=C23)C=C1C(=O)[O-]	REAL300000418182	0	43	-2.0	-117.53	369.73	6.06	-111.47
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C(OC)C=CN=C23)C=C1C(=O)[O-]	REAL300000418183	0	41	-2.0	-114.94	363.36	5.08	-109.86
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=CC=C12	REAL300000418184	0	40	-2.0	-102.67	351.41	5.42	-97.25
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=CC=C12	REAL300000418185	0	40	-2.0	-112.63	355.35	5.69	-106.94
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=CC=C12	REAL300000418186	0	37	-2.0	-120.06	339.04	4.90	-115.16
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=CC=C12	REAL300000418187	0	40	-2.0	-107.12	356.57	5.45	-101.67
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C12	REAL300000418188	0	36	-2.0	-112.17	332.39	2.93	-109.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C(OC)C=CN=C12	REAL300000418189	0	41	-2.0	-106.70	363.61	4.67	-102.03
COC1=CC=NC2=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=CC=C12	REAL300000418190	0	34	-2.0	-102.52	335.51	3.85	-98.67
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=CC=C12	REAL300000418191	0	44	-2.0	-108.93	381.53	6.77	-102.16
COC1=CC=NC2=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=CC=C12	REAL300000418192	0	44	-2.0	-112.47	379.49	6.74	-105.73
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C(OC)C=CN=C23)C=C(C(=O)[O-])O1	REAL300000418193	0	40	-2.0	-107.79	357.53	4.87	-102.92
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000418194	0	38	-2.0	-129.06	357.84	2.83	-126.23
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300000418195	0	38	-2.0	-117.26	352.44	2.79	-114.47
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C	REAL300000418196	0	38	-2.0	-129.42	353.31	2.79	-126.63
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1C	REAL300000418197	0	42	-2.0	-135.65	381.45	2.61	-133.04
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C	REAL300000418198	0	42	-2.0	-116.85	384.75	4.09	-112.76
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000418199	0	41	-2.0	-132.06	373.37	3.44	-128.62
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C	REAL300000418200	0	38	-2.0	-125.16	366.38	3.36	-121.80
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000418201	0	38	-2.0	-127.71	365.81	3.19	-124.52
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C	REAL300000418202	0	44	-2.0	-132.04	386.41	4.11	-127.93
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000418203	0	38	-2.0	-127.40	358.78	2.86	-124.54
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C	REAL300000418204	0	44	-2.0	-116.06	396.86	4.39	-111.67
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000418205	0	35	-2.0	-123.49	346.49	1.82	-121.67
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C	REAL300000418206	0	41	-2.0	-130.18	368.73	3.57	-126.61
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C	REAL300000418207	0	42	-2.0	-115.36	384.37	3.08	-112.28
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000418208	0	39	-2.0	-130.15	359.10	2.12	-128.03
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1C	REAL300000418209	0	42	-2.0	-130.41	377.51	1.61	-128.80
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C	REAL300000418210	0	38	-2.0	-120.79	362.42	2.48	-118.31
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1C	REAL300000418211	0	44	-2.0	-131.57	384.75	4.11	-127.46
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C	REAL300000418212	0	35	-2.0	-125.14	344.10	1.80	-123.34
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1C	REAL300000418213	0	42	-2.0	-138.13	380.59	2.86	-135.27
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1C	REAL300000418214	0	47	-2.0	-132.68	407.20	4.80	-127.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(=O)NC)C(C)=C1	REAL300000418215	0	44	-2.0	-128.33	383.45	4.52	-123.81
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1C	REAL300000418216	0	45	-2.0	-136.62	403.74	3.37	-133.25
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000418217	0	40	-3.0	-207.14	381.71	3.36	-203.78
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C	REAL300000418218	0	45	-2.0	-137.70	396.69	4.66	-133.04
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C	REAL300000418219	0	38	-2.0	-122.72	356.31	1.94	-120.78
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C	REAL300000418220	0	42	-2.0	-132.97	382.28	1.89	-131.08
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1C	REAL300000418221	0	45	-2.0	-115.87	403.60	3.77	-112.10
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C	REAL300000418222	0	41	-2.0	-120.38	374.02	3.60	-116.78
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(=O)NC)C(C)=C2)C=C1C(=O)[O-]	REAL300000418223	0	45	-2.0	-135.89	402.44	3.77	-132.12
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C	REAL300000418224	0	38	-2.0	-126.41	361.93	2.69	-123.72
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000418225	0	38	-2.0	-114.65	366.35	3.35	-111.30
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000418226	0	38	-2.0	-116.49	357.82	2.84	-113.65
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000418227	0	35	-2.0	-119.36	345.55	1.93	-117.43
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000418228	0	38	-2.0	-122.15	359.71	2.86	-119.29
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C	REAL300000418229	0	41	-2.0	-128.98	379.06	3.50	-125.48
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000418230	0	38	-2.0	-117.17	358.76	2.87	-114.30
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C	REAL300000418231	0	38	-2.0	-114.67	365.79	3.20	-111.47
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000418232	0	38	-2.0	-117.70	364.12	2.89	-114.81
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C	REAL300000418233	0	40	-2.0	-114.10	381.49	3.47	-110.63
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C	REAL300000418234	0	39	-2.0	-129.31	363.02	0.52	-128.79
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C	REAL300000418235	0	41	-2.0	-121.20	375.47	3.58	-117.62
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C	REAL300000418236	0	41	-2.0	-127.70	363.37	3.42	-124.28
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000418237	0	41	-2.0	-127.76	378.14	3.45	-124.31
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1C	REAL300000418238	0	41	-2.0	-117.61	367.86	3.55	-114.06
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000418239	0	44	-2.0	-136.99	390.10	3.96	-133.03
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300000418240	0	40	-2.0	-129.24	379.86	3.88	-125.36
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000418241	0	38	-2.0	-118.77	365.04	2.92	-115.85
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C	REAL300000418242	0	44	-2.0	-131.89	387.78	4.18	-127.71
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C	REAL300000418243	0	41	-2.0	-128.65	374.77	3.40	-125.25
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C	REAL300000418244	0	41	-2.0	-137.36	378.33	3.49	-133.87
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(=O)NC)C(C)=C2)C=C1C(=O)[O-]	REAL300000418245	0	44	-2.0	-131.67	386.74	3.97	-127.70
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=C1C	REAL300000418246	0	45	-2.0	-133.18	403.77	2.93	-130.25
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC(=O)NC)C(C)=C2)C=C1C(=O)[O-]	REAL300000418247	0	42	-2.0	-129.19	381.33	3.02	-126.17
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C	REAL300000418248	0	41	-2.0	-118.81	373.36	3.44	-115.37
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1C	REAL300000418249	0	41	-2.0	-126.94	373.26	3.61	-123.33
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C	REAL300000418250	0	40	-2.0	-139.93	377.03	4.66	-135.27
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000418251	0	38	-2.0	-133.71	356.11	2.81	-130.90
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000418252	0	41	-2.0	-120.96	374.46	3.37	-117.59
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000418253	0	37	-2.0	-127.72	349.52	0.92	-126.80
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1C	REAL300000418254	0	42	-2.0	-121.80	381.51	2.60	-119.20
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000418255	0	35	-2.0	-116.73	353.41	1.76	-114.97
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C	REAL300000418256	0	45	-2.0	-123.48	399.43	4.68	-118.80
CNC(=O)CN1N=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C	REAL300000418257	0	45	-2.0	-127.77	398.75	4.68	-123.09
CCC1=C(S(=O)(=O)[N-]C2=NN(CC(=O)NC)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000418258	0	41	-2.0	-122.47	375.42	2.79	-119.68
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NNC2=C(Cl)C=C(F)C=C2Cl)=C1	REAL300000418275	0	31	-2.0	-99.89	319.35	4.53	-95.36
CCOC(=O)CN1C=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1=O	REAL300000418298	0	41	-2.0	-116.96	372.00	4.33	-112.63
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000418307	1	41	-2.0	-81.72	374.16	5.90	-75.82
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(Cl)C=C1C	REAL300000418309	0	42	-2.0	-97.86	377.59	8.41	-89.45
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000418311	1	34	-2.0	-100.82	318.14	7.29	-93.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(Cl)C=C1C	REAL300000418312	0	38	-2.0	-104.94	346.11	7.12	-97.82
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000418313	1	38	-2.0	-87.67	349.15	8.61	-79.06
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000418316	0	34	-2.0	-97.11	323.44	7.38	-89.73
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000418317	1	40	-2.0	-86.66	361.07	8.90	-77.76
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000418318	0	31	-2.0	-95.02	311.16	6.33	-88.69
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000418321	1	35	-2.0	-99.45	324.77	6.65	-92.80
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C=C2C)=C1	REAL300000418323	0	34	-2.0	-91.58	327.25	6.98	-84.60
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000418325	1	31	-2.0	-96.92	310.84	6.13	-90.79
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000418328	1	44	-2.0	-105.16	370.77	9.84	-95.32
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000418329	1	43	-2.0	-102.73	367.80	9.18	-93.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(Cl)C=C1C	REAL300000418330	1	40	-2.0	-99.65	349.42	8.99	-90.66
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(Cl)C=C1C	REAL300000418331	0	41	-2.0	-105.03	368.40	7.87	-97.16
CC1=CC(Cl)=CC(C)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000418332	0	37	-2.0	-107.21	351.01	7.59	-99.62
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000418332	1	36	-3.0	-176.61	346.54	7.86	-168.75
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000418333	1	41	-2.0	-105.57	362.19	9.19	-96.38
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C=C2C)C=C(C(=O)[O-])O1	REAL300000418334	0	34	-2.0	-95.50	320.84	6.42	-89.08
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000418335	1	40	-2.0	-105.96	360.70	7.01	-98.95
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C=C2C)=C1	REAL300000418336	0	38	-2.0	-100.99	347.04	6.35	-94.64
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000418339	1	37	-2.0	-92.73	336.78	8.01	-84.72
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000418340	1	38	-2.0	-86.45	355.41	7.64	-78.81
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C=C2C)C=C(C(=O)[O-])S1	REAL300000418342	1	34	-2.0	-97.84	325.88	7.19	-90.65
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000418343	0	34	-2.0	-86.28	329.38	7.80	-78.48
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000418344	1	34	-2.0	-88.53	322.66	7.33	-81.20
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000418345	0	31	-2.0	-90.55	310.24	6.43	-84.12
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000418346	1	34	-2.0	-92.08	324.07	7.38	-84.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C=C2C)=C1F	REAL300000418347	0	37	-2.0	-99.13	343.89	8.00	-91.13
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000418348	0	34	-2.0	-87.92	323.60	7.36	-80.56
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000418349	1	34	-2.0	-86.58	330.60	7.69	-78.89
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000418350	1	37	-2.0	-94.26	345.52	8.40	-85.86
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000418351	1	42	-2.0	-84.55	381.87	8.71	-75.84
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000418352	1	36	-2.0	-86.37	345.86	7.98	-78.39
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000418353	0	35	-2.0	-99.62	327.69	5.04	-94.58
CC1=CC(Cl)=CC(C)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000418353	1	35	-2.0	-101.30	320.28	5.73	-95.57
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000418354	1	37	-2.0	-91.38	339.67	8.09	-83.29
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000418355	1	34	-2.0	-91.80	339.24	7.78	-84.02
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000418360	0	36	-2.0	-99.43	344.73	8.38	-91.05
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000418361	0	34	-2.0	-89.75	329.88	7.42	-82.33
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000418363	0	37	-2.0	-98.76	339.21	7.92	-90.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C=C2C)=C1Cl	REAL300000418364	0	37	-2.0	-98.11	348.11	8.38	-89.73
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C=C2C)=C1	REAL300000418365	0	37	-2.0	-105.61	343.01	8.00	-97.61
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000418368	1	37	-2.0	-90.16	341.12	8.36	-81.80
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000418369	1	37	-2.0	-98.14	349.34	8.26	-89.88
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000418370	1	38	-2.0	-100.70	346.14	7.51	-93.19
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000418371	1	37	-2.0	-95.23	351.89	8.31	-86.92
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000418373	0	39	-2.0	-91.07	353.50	9.17	-81.90
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000418375	0	36	-2.0	-106.49	341.80	9.10	-97.39
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000418376	0	34	-2.0	-104.66	321.59	7.34	-97.32
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000418377	1	37	-2.0	-93.59	343.19	7.92	-85.67
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000418378	1	40	-2.0	-108.29	358.62	9.44	-98.85
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000418379	0	33	-2.0	-98.10	314.34	5.42	-92.68
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=C(Cl)C=C1C	REAL300000418380	0	38	-2.0	-92.59	346.17	7.13	-85.46
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000418381	0	31	-2.0	-89.25	318.11	6.28	-82.97
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000418382	1	41	-2.0	-94.37	363.82	9.19	-85.18
CC1=CC(Cl)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000418383	1	41	-2.0	-96.55	363.58	9.17	-87.38
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C=C2C)C=C(C(=O)[O-])O1	REAL300000418384	0	37	-2.0	-95.23	339.96	7.28	-87.95
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=C2C=CC=C3[N+](=O)[O-])=C1	REAL300000418415	0	38	-2.0	-101.57	337.36	6.83	-94.74
CC(C)C1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000418435	1	37	-2.0	-90.89	345.39	7.68	-83.21
CC(C)C1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000418436	1	37	-2.0	-103.39	345.41	7.67	-95.72
CC(C)C1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000418437	0	36	-2.0	-101.14	341.63	5.78	-95.36
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418438	1	46	-2.0	-108.70	400.96	8.81	-99.89
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418439	1	43	-2.0	-107.32	385.53	8.02	-99.30
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1	REAL300000418442	0	37	-2.0	-112.34	339.24	7.65	-104.69
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300000418443	0	40	-2.0	-94.17	370.91	6.96	-87.21
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1	REAL300000418444	0	36	-2.0	-95.90	342.60	6.01	-89.89
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418445	1	38	-2.0	-101.03	351.58	7.76	-93.27
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418446	1	38	-2.0	-97.49	351.56	7.77	-89.72
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1	REAL300000418447	0	37	-2.0	-101.72	352.97	7.95	-93.77
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418448	0	38	-2.0	-112.51	348.84	7.65	-104.86
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C=C1	REAL300000418449	0	37	-2.0	-104.92	347.23	8.07	-96.85
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000418450	0	40	-2.0	-107.16	370.44	7.83	-99.33
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000418450	1	39	-3.0	-168.04	363.73	7.96	-160.08
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1	REAL300000418452	1	46	-2.0	-103.07	393.56	7.31	-95.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000418453	1	42	-2.0	-103.24	377.63	8.67	-94.57
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418454	0	40	-2.0	-99.91	346.95	5.21	-94.70
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300000418455	1	40	-2.0	-97.09	369.49	8.37	-88.72
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000418457	0	40	-2.0	-98.50	365.64	7.82	-90.68
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418458	0	45	-2.0	-112.68	388.48	6.45	-106.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1OC	REAL300000418459	1	45	-2.0	-103.29	389.47	6.57	-96.72
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418461	0	39	-2.0	-95.67	343.82	6.33	-89.34
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1	REAL300000418462	1	37	-2.0	-95.86	362.65	8.35	-87.51
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000418463	0	40	-2.0	-105.85	365.92	7.80	-98.05
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000418463	1	39	-3.0	-171.18	359.22	7.93	-163.25
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300000418464	1	37	-2.0	-94.93	343.44	7.49	-87.44
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C1	REAL300000418465	0	37	-2.0	-101.11	360.60	8.46	-92.65
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300000418466	1	40	-2.0	-100.71	369.48	8.37	-92.34
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418467	1	40	-2.0	-105.89	352.15	8.03	-97.86
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C1	REAL300000418469	0	40	-2.0	-107.71	356.61	8.75	-98.96
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1	REAL300000418470	1	37	-2.0	-101.22	347.47	7.89	-93.33
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418471	1	42	-2.0	-103.08	371.20	7.77	-95.31
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418472	1	43	-2.0	-105.81	367.64	8.82	-96.99
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1	REAL300000418474	1	37	-2.0	-95.20	353.33	7.94	-87.26
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418475	1	42	-2.0	-113.52	371.23	7.75	-105.77
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418477	0	43	-2.0	-116.74	375.98	8.76	-107.98
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418478	1	46	-2.0	-99.46	407.36	8.97	-90.49
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C1	REAL300000418479	0	37	-2.0	-103.04	359.05	8.39	-94.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000418480	1	43	-2.0	-103.35	386.26	8.11	-95.24
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418481	1	49	-2.0	-104.45	406.94	9.69	-94.76
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418483	1	49	-2.0	-104.28	409.42	9.96	-94.32
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418484	0	43	-3.0	-177.20	387.34	7.72	-169.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418484	1	44	-2.0	-107.59	390.08	7.69	-99.90
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418485	0	44	-2.0	-99.30	393.37	9.19	-90.11
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418485	1	43	-3.0	-158.37	390.65	9.23	-149.14
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C1	REAL300000418486	0	37	-2.0	-105.22	354.34	8.69	-96.53
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1	REAL300000418487	0	34	-2.0	-97.46	339.72	7.00	-90.46
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418489	0	41	-2.0	-111.58	358.99	7.17	-104.41
CC1=CC=C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000418490	0	43	-2.0	-99.58	377.59	8.42	-91.16
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1	REAL300000418491	0	37	-2.0	-99.88	348.84	7.56	-92.32
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1	REAL300000418492	1	37	-2.0	-96.53	364.20	8.40	-88.13
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1	REAL300000418493	0	37	-2.0	-105.83	343.87	7.93	-97.90
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C=C1	REAL300000418494	1	37	-2.0	-101.19	352.03	7.99	-93.20
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300000418495	1	39	-2.0	-101.11	358.97	8.04	-93.07
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418496	1	42	-2.0	-100.87	374.45	8.81	-92.06
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C=C1	REAL300000418497	1	39	-2.0	-95.50	371.41	8.42	-87.08
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300000418498	0	34	-2.0	-103.14	322.67	6.38	-96.76
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300000418500	0	39	-2.0	-113.95	351.83	8.80	-105.15
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000418501	0	39	-3.0	-169.86	372.27	8.51	-161.35
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000418501	1	40	-2.0	-114.43	374.92	8.48	-105.95
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000418502	0	40	-2.0	-103.66	378.42	8.20	-95.46
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000418502	1	39	-3.0	-166.71	371.71	8.32	-158.39
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1	REAL300000418505	0	37	-2.0	-101.12	342.64	7.50	-93.62
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1	REAL300000418506	1	37	-2.0	-101.38	337.14	7.44	-93.94
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1	REAL300000418507	0	37	-2.0	-95.89	343.55	7.50	-88.39
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1	REAL300000418509	1	43	-2.0	-105.38	375.23	6.53	-98.85
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418511	1	52	-2.0	-106.35	422.43	10.46	-95.89
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1	REAL300000418512	1	37	-2.0	-98.60	347.46	7.89	-90.71
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C=C1	REAL300000418513	1	37	-2.0	-98.53	352.03	7.99	-90.54
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300000418514	0	39	-2.0	-93.65	358.97	8.04	-85.61
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300000418515	1	37	-2.0	-105.25	330.73	7.37	-97.88
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418516	1	44	-2.0	-110.05	387.08	6.26	-103.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000418517	0	37	-2.0	-104.35	344.56	7.18	-97.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)=C1C	REAL300000418518	0	46	-2.0	-125.94	394.22	9.21	-116.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1C	REAL300000418518	1	45	-3.0	-177.50	391.60	9.25	-168.25
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418519	0	41	-2.0	-104.55	375.73	7.68	-96.87
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1	REAL300000418520	0	39	-2.0	-104.99	366.01	9.27	-95.72
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000418521	0	39	-3.0	-171.48	364.68	8.00	-163.48
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=C1	REAL300000418522	0	34	-2.0	-96.54	353.58	7.53	-89.01
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418524	1	42	-2.0	-100.00	371.35	8.78	-91.22
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1	REAL300000418525	0	37	-2.0	-104.16	342.65	7.51	-96.65
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000418526	0	46	-2.0	-97.31	405.48	9.49	-87.82
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000418526	1	45	-3.0	-157.62	402.76	9.52	-148.10
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418527	1	47	-2.0	-109.79	407.39	7.07	-102.72
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1	REAL300000418528	1	41	-2.0	-100.20	366.48	4.19	-96.01
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418529	1	41	-2.0	-102.52	370.93	8.39	-94.13
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1	REAL300000418530	1	42	-2.0	-101.35	372.78	5.83	-95.52
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=C1	REAL300000418531	1	45	-2.0	-102.66	390.56	6.55	-96.11
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000418533	0	36	-3.0	-167.44	352.39	6.95	-160.49
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1	REAL300000418534	1	40	-2.0	-99.46	362.48	4.88	-94.58
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418536	0	43	-2.0	-109.97	374.10	8.29	-101.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418536	1	42	-3.0	-171.94	374.64	8.72	-163.22
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418537	0	43	-2.0	-103.48	367.43	6.41	-97.07
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1C	REAL300000418538	1	45	-2.0	-102.46	391.46	9.36	-93.10
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418539	1	43	-2.0	-99.76	385.50	8.04	-91.72
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418540	1	44	-2.0	-103.67	387.17	5.66	-98.01
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418541	1	42	-2.0	-104.95	384.92	2.33	-102.62
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418542	0	46	-2.0	-114.19	403.00	9.08	-105.11
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418543	1	41	-2.0	-103.63	365.25	4.16	-99.47
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1	REAL300000418545	1	43	-2.0	-107.49	376.69	9.65	-97.84
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=CS1	REAL300000418546	0	40	-2.0	-113.79	370.32	7.68	-106.11
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418547	1	47	-2.0	-103.79	407.30	7.88	-95.91
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000418549	0	44	-2.0	-98.00	392.99	8.18	-89.82
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300000418551	1	37	-2.0	-97.96	337.14	7.44	-90.52
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1	REAL300000418552	0	37	-2.0	-109.44	336.24	7.43	-102.01
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C1	REAL300000418553	1	42	-2.0	-100.60	373.12	7.88	-92.72
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418554	0	43	-2.0	-117.40	383.59	5.96	-111.44
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)=C2N=C1	REAL300000418555	0	45	-2.0	-120.09	392.08	8.65	-111.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(Cl)=C1	REAL300000418557	0	40	-2.0	-105.15	365.28	8.61	-96.54
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C=C1	REAL300000418558	1	43	-2.0	-100.85	381.48	4.60	-96.25
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418559	1	42	-2.0	-107.97	384.98	2.32	-105.65
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)=CC=C21	REAL300000418560	1	45	-2.0	-101.84	394.05	7.83	-94.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C([N+](=O)[O-])=C1	REAL300000418561	0	43	-2.0	-111.64	378.75	8.04	-103.60
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C=C1	REAL300000418562	1	42	-2.0	-98.99	378.57	8.88	-90.11
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)=CC=C21	REAL300000418563	1	43	-2.0	-102.26	384.85	7.34	-94.92
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418564	1	43	-2.0	-108.98	391.44	4.89	-104.09
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C1	REAL300000418566	1	47	-2.0	-106.90	400.63	11.25	-95.65
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1	REAL300000418567	0	37	-2.0	-98.10	350.27	8.00	-90.10
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(F)=C1	REAL300000418568	0	44	-2.0	-115.64	392.60	6.31	-109.33
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418569	1	43	-2.0	-112.54	391.43	4.90	-107.64
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1OC	REAL300000418571	0	45	-2.0	-105.30	394.95	6.64	-98.66
CN1C=C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000418573	0	41	-2.0	-100.27	372.48	7.16	-93.11
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000418573	1	40	-3.0	-169.26	365.85	7.28	-161.98
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1Cl	REAL300000418574	0	37	-2.0	-110.65	348.20	6.94	-103.71
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000418575	0	42	-2.0	-102.84	372.94	3.54	-99.30
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418576	0	44	-2.0	-110.30	385.25	6.74	-103.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1Cl	REAL300000418578	1	41	-2.0	-100.73	376.25	7.23	-93.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1F	REAL300000418579	1	41	-2.0	-100.61	366.45	6.74	-93.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000418582	1	44	-2.0	-99.75	381.32	4.82	-94.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000418583	1	45	-2.0	-101.47	392.55	4.76	-96.71
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000418584	0	37	-2.0	-102.19	335.28	5.09	-97.10
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418585	1	42	-2.0	-93.51	374.45	8.82	-84.69
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CN1C	REAL300000418587	0	45	-2.0	-103.24	394.93	5.03	-98.21
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418588	1	40	-2.0	-101.83	362.95	8.67	-93.16
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)C=N2)C=C1	REAL300000418590	0	47	-2.0	-102.92	412.71	9.16	-93.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418593	0	39	-3.0	-162.48	368.31	7.61	-154.87
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1Cl	REAL300000418594	1	38	-2.0	-94.24	366.94	8.18	-86.06
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000418595	1	38	-2.0	-94.67	366.97	8.18	-86.49
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000418596	0	46	-2.0	-109.08	392.53	9.28	-99.80
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1	REAL300000418597	1	41	-2.0	-108.41	369.11	7.75	-100.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1Cl	REAL300000418598	1	40	-2.0	-102.46	366.21	8.47	-93.99
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1	REAL300000418599	0	37	-2.0	-106.39	352.42	7.93	-98.46
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418601	0	43	-2.0	-99.04	387.21	7.83	-91.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000418602	1	47	-2.0	-109.73	400.11	9.04	-100.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1F	REAL300000418603	1	40	-2.0	-102.57	357.47	8.08	-94.49
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418604	1	40	-2.0	-98.50	362.95	8.66	-89.84
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418605	0	40	-2.0	-109.68	357.65	8.10	-101.58
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418606	1	40	-2.0	-102.21	352.63	8.22	-93.99
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)C=C1	REAL300000418607	1	43	-2.0	-103.54	390.78	9.43	-94.11
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418608	0	42	-2.0	-114.69	364.37	9.62	-105.07
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418609	1	47	-2.0	-113.45	402.54	7.22	-106.23
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418610	0	45	-2.0	-120.37	392.01	8.66	-111.71
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000418611	0	36	-3.0	-166.55	350.85	6.97	-159.58
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000418611	1	37	-2.0	-103.90	353.54	6.94	-96.96
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C=C1	REAL300000418612	0	39	-2.0	-93.00	372.10	8.61	-84.39
COC1=CC=C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000418613	0	44	-2.0	-111.76	393.19	7.87	-103.89
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C2=CC=CN=C2C=C1	REAL300000418614	1	45	-2.0	-105.18	380.82	8.75	-96.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1O	REAL300000418615	1	44	-2.0	-101.10	394.34	6.06	-95.04
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1	REAL300000418616	0	39	-2.0	-108.23	355.68	8.82	-99.41
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300000418617	1	47	-2.0	-105.18	404.93	10.79	-94.39
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C1	REAL300000418618	0	39	-2.0	-113.10	364.07	8.74	-104.36
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418619	0	46	-2.0	-113.85	410.76	5.89	-107.96
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418622	0	41	-2.0	-107.70	361.92	5.73	-101.97
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418622	1	41	-2.0	-96.32	361.00	6.59	-89.73
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1	REAL300000418623	0	34	-2.0	-99.50	312.32	3.77	-95.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418624	0	46	-2.0	-118.78	391.55	9.15	-109.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418624	1	45	-3.0	-170.48	389.33	9.65	-160.83
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C1	REAL300000418625	0	40	-2.0	-108.54	370.26	8.27	-100.27
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000418626	0	40	-2.0	-98.20	378.61	7.14	-91.06
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1C	REAL300000418627	0	45	-2.0	-113.99	387.70	9.97	-104.02
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1	REAL300000418628	1	41	-2.0	-97.34	368.54	7.75	-89.59
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1	REAL300000418629	0	37	-2.0	-102.32	345.65	7.71	-94.61
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000418630	0	39	-3.0	-163.99	362.24	7.07	-156.92
CC1=C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000418630	1	40	-2.0	-105.16	365.11	7.03	-98.13
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1	REAL300000418631	0	40	-2.0	-125.58	358.93	6.58	-119.00
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418632	0	43	-2.0	-109.95	391.00	8.09	-101.86
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418633	0	47	-2.0	-113.13	402.27	8.76	-104.37
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=C1	REAL300000418634	0	39	-2.0	-114.21	360.80	9.46	-104.75
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1	REAL300000418635	1	42	-2.0	-113.53	379.03	7.55	-105.98
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C=C1	REAL300000418636	0	36	-2.0	-96.08	347.07	6.17	-89.91
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1	REAL300000418637	0	39	-2.0	-118.43	353.44	8.90	-109.53
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418638	0	43	-3.0	-172.84	388.17	7.03	-165.81
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418638	1	44	-2.0	-107.62	390.89	7.00	-100.62
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1	REAL300000418639	0	44	-2.0	-103.23	391.30	8.49	-94.74
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C=C1	REAL300000418640	0	47	-2.0	-102.14	416.71	8.93	-93.21
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1	REAL300000418641	0	36	-2.0	-95.93	332.15	5.63	-90.30
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418642	0	40	-2.0	-102.81	378.79	7.04	-95.77
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418643	1	45	-2.0	-99.57	389.19	9.76	-89.81
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1	REAL300000418644	1	42	-2.0	-105.83	366.89	7.80	-98.03
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C1	REAL300000418645	0	36	-2.0	-97.06	355.89	6.50	-90.56
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418646	0	37	-2.0	-112.87	334.75	6.46	-106.41
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)C=C12	REAL300000418648	1	45	-2.0	-98.96	397.05	7.10	-91.86
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)C=C12	REAL300000418649	0	41	-2.0	-95.93	370.49	4.35	-91.58
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000418650	0	37	-2.0	-94.57	346.69	5.89	-88.68
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1	REAL300000418652	0	37	-2.0	-107.35	342.53	7.49	-99.86
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(F)=C1	REAL300000418653	0	41	-2.0	-107.37	368.72	6.95	-100.42
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1	REAL300000418654	0	39	-2.0	-108.11	366.01	9.28	-98.83
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418655	0	43	-2.0	-104.21	379.51	8.33	-95.88
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418655	1	42	-3.0	-162.24	379.91	8.75	-153.49
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1	REAL300000418656	0	43	-2.0	-110.28	373.87	7.01	-103.27
CC1=NC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CN1C	REAL300000418657	0	40	-2.0	-113.15	354.26	6.26	-106.89
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1	REAL300000418658	0	41	-2.0	-106.91	368.75	7.42	-99.49
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418659	1	46	-2.0	-107.03	407.39	8.96	-98.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000418660	0	40	-2.0	-102.33	356.82	5.94	-96.39
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418661	1	44	-2.0	-106.76	385.81	7.09	-99.67
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418662	0	43	-2.0	-111.25	382.37	8.84	-102.41
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C=C1	REAL300000418663	0	37	-2.0	-104.37	362.83	7.48	-96.89
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1	REAL300000418664	1	42	-2.0	-103.47	366.71	6.68	-96.79
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1	REAL300000418665	0	37	-2.0	-101.23	350.27	8.01	-93.22
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=C1	REAL300000418668	1	41	-2.0	-97.89	375.03	4.23	-93.66
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418669	0	37	-2.0	-99.91	331.15	4.42	-95.49
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418670	1	41	-2.0	-106.48	360.25	6.67	-99.81
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418671	1	40	-2.0	-105.06	345.80	8.15	-96.91
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000418672	0	43	-2.0	-108.49	393.62	5.53	-102.96
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000418672	1	42	-3.0	-165.50	389.05	4.48	-161.02
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=N1	REAL300000418673	0	37	-2.0	-109.95	335.58	4.91	-105.04
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418674	0	37	-2.0	-97.06	330.98	5.00	-92.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(F)=C1	REAL300000418680	0	40	-2.0	-108.26	357.65	8.12	-100.14
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1F	REAL300000418681	1	40	-2.0	-98.55	357.46	8.07	-90.48
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1	REAL300000418682	0	34	-2.0	-109.83	312.04	4.76	-105.07
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)O1	REAL300000418683	0	40	-2.0	-98.44	370.28	6.17	-92.27
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1	REAL300000418684	0	42	-2.0	-120.13	370.67	8.01	-112.12
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1	REAL300000418685	0	37	-2.0	-96.37	348.93	7.55	-88.82
CC1=C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)C=C(C(=O)[O-])S1	REAL300000418686	0	40	-2.0	-122.56	370.73	7.80	-114.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C(C(=O)[O-])S1	REAL300000418686	1	39	-3.0	-168.02	367.83	7.83	-160.19
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1C	REAL300000418687	1	46	-2.0	-106.52	395.60	8.67	-97.85
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418688	0	41	-2.0	-106.45	373.35	7.24	-99.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CN=C1Cl	REAL300000418689	0	39	-2.0	-96.73	361.39	6.60	-90.13
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418690	0	43	-2.0	-113.00	388.90	4.96	-108.04
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418692	1	46	-2.0	-110.31	407.69	8.81	-101.50
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418694	0	49	-2.0	-102.98	409.91	7.98	-95.00
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)SC=C1	REAL300000418695	0	37	-2.0	-105.75	341.47	7.01	-98.74
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1C	REAL300000418696	0	46	-2.0	-103.54	389.24	7.28	-96.26
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1C	REAL300000418697	1	46	-2.0	-100.04	401.55	8.57	-91.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1[N+](=O)[O-]	REAL300000418698	0	42	-2.0	-94.28	374.95	8.55	-85.73
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C1	REAL300000418701	1	45	-2.0	-115.48	390.33	5.82	-109.66
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418702	1	41	-2.0	-101.93	367.00	8.54	-93.39
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1F	REAL300000418703	1	44	-2.0	-112.23	391.95	6.38	-105.85
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000418704	0	42	-2.0	-104.05	380.42	8.63	-95.42
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418705	1	49	-2.0	-102.31	382.90	10.07	-92.24
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1C	REAL300000418706	1	47	-2.0	-122.28	405.62	7.16	-115.12
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418707	0	41	-2.0	-106.66	368.38	7.84	-98.82
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418708	1	41	-2.0	-97.03	366.98	8.54	-88.49
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418709	1	49	-2.0	-105.55	395.47	10.60	-94.95
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(F)=C1	REAL300000418711	0	38	-2.0	-100.60	357.04	7.83	-92.77
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)C=C2O1	REAL300000418712	1	42	-2.0	-102.73	374.38	5.04	-97.69
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000418713	0	43	-2.0	-101.56	375.51	6.46	-95.10
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418714	0	42	-2.0	-105.25	369.82	3.70	-101.55
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1	REAL300000418715	1	42	-2.0	-104.94	371.71	7.77	-97.17
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000418716	0	43	-2.0	-108.05	390.08	6.15	-101.90
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CN1	REAL300000418717	0	43	-2.0	-111.44	374.54	5.82	-105.62
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C([N+](=O)[O-])=C1	REAL300000418718	0	40	-2.0	-106.19	370.01	9.15	-97.04
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300000418722	1	37	-2.0	-90.35	349.74	7.55	-82.80
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418723	1	48	-2.0	-101.82	413.20	9.21	-92.61
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CN1C	REAL300000418725	0	44	-2.0	-108.10	391.89	7.47	-100.63
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418726	1	52	-2.0	-104.37	421.16	10.16	-94.21
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000418727	0	39	-3.0	-156.08	372.25	8.50	-147.58
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000418727	1	40	-2.0	-94.80	374.89	8.48	-86.32
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000418728	0	40	-2.0	-100.72	370.18	7.85	-92.87
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000418728	1	39	-3.0	-157.92	363.74	7.98	-149.94
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418729	1	47	-2.0	-113.33	398.11	7.58	-105.75
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000418731	0	36	-3.0	-160.95	351.46	7.06	-153.89
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418732	0	46	-2.0	-112.08	395.27	8.34	-103.74
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000418733	0	40	-2.0	-98.95	372.17	7.88	-91.07
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000418733	1	39	-3.0	-161.88	365.61	8.00	-153.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1F	REAL300000418734	0	42	-3.0	-170.66	384.97	8.63	-162.03
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CN1	REAL300000418735	0	41	-2.0	-104.04	374.14	5.73	-98.31
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000418736	0	39	-3.0	-158.56	364.67	8.01	-150.55
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000418736	1	40	-2.0	-94.77	367.29	7.98	-86.79
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000418737	0	40	-2.0	-97.07	378.16	8.22	-88.85
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000418737	1	39	-3.0	-156.14	371.70	8.34	-147.80
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418738	1	40	-2.0	-100.99	351.54	8.18	-92.81
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1C	REAL300000418739	1	46	-2.0	-102.45	401.57	8.55	-93.90
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CS1	REAL300000418740	0	40	-2.0	-103.01	378.02	7.06	-95.95
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1F	REAL300000418741	1	43	-2.0	-97.22	390.07	8.05	-89.17
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000418742	0	39	-2.0	-101.51	355.97	5.95	-95.56
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418743	1	41	-2.0	-110.14	372.99	8.54	-101.60
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418744	1	45	-2.0	-92.17	388.74	9.71	-82.46
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1[O-]	REAL300000418745	1	45	-2.0	-96.75	399.93	4.17	-92.58
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418748	1	43	-2.0	-105.99	373.64	8.80	-97.19
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418749	1	40	-2.0	-102.17	358.55	8.10	-94.07
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418751	0	43	-2.0	-100.05	388.63	6.83	-93.22
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=C1	REAL300000418752	1	43	-2.0	-100.81	382.13	6.43	-94.38
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000418753	0	40	-2.0	-97.25	376.74	7.90	-89.35
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000418753	1	39	-3.0	-162.11	370.03	8.03	-154.08
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C(F)C=C1F	REAL300000418755	0	40	-2.0	-101.33	362.93	8.13	-93.20
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1	REAL300000418756	1	43	-2.0	-112.62	371.79	9.69	-102.93
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1	REAL300000418757	0	39	-2.0	-101.98	362.73	6.86	-95.12
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000418758	0	40	-3.0	-171.25	368.91	5.65	-165.60
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000418758	1	40	-3.0	-184.27	368.10	6.43	-177.84
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1	REAL300000418759	1	47	-2.0	-108.30	386.05	10.00	-98.30
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000418760	0	43	-2.0	-98.11	384.09	8.68	-89.43
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000418760	1	42	-3.0	-162.80	381.37	8.71	-154.09
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)O1	REAL300000418761	0	43	-2.0	-98.47	392.15	7.09	-91.38
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1	REAL300000418762	0	39	-2.0	-93.74	365.36	8.11	-85.63
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418763	0	42	-2.0	-113.95	384.29	8.33	-105.62
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418764	0	40	-2.0	-113.23	373.47	8.07	-105.16
COC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)SC=C1	REAL300000418766	0	38	-2.0	-112.92	352.91	5.66	-107.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)OC2=CC=C(F)C=C12	REAL300000418767	0	43	-2.0	-102.69	384.49	8.65	-94.04
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000418768	0	40	-2.0	-107.03	360.50	7.77	-99.26
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000418769	0	45	-2.0	-121.33	392.25	8.61	-112.72
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1F	REAL300000418770	0	42	-2.0	-102.44	384.78	8.74	-93.70
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418771	0	39	-2.0	-109.05	363.98	6.12	-102.93
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418773	0	37	-2.0	-95.23	346.77	6.29	-88.94
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)N=C1Cl	REAL300000418774	0	37	-2.0	-106.64	350.92	6.20	-100.44
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418775	1	45	-2.0	-107.70	389.72	5.99	-101.71
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1	REAL300000418776	0	38	-2.0	-107.78	346.57	6.11	-101.67
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1C	REAL300000418777	0	45	-2.0	-114.56	381.82	10.17	-104.39
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418778	0	38	-2.0	-95.63	352.95	5.21	-90.42
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000418779	0	36	-2.0	-100.87	339.27	5.20	-95.67
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418780	1	42	-2.0	-96.15	378.95	8.85	-87.30
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418781	0	43	-2.0	-99.66	368.78	8.16	-91.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418781	1	42	-3.0	-171.65	373.02	8.68	-162.97
CC1=CC(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1F	REAL300000418783	0	43	-2.0	-102.46	390.74	8.45	-94.01
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1F	REAL300000418783	1	42	-3.0	-173.05	384.03	8.59	-164.46
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418784	0	43	-2.0	-113.33	377.37	8.69	-104.64
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418785	0	43	-2.0	-110.85	389.78	8.50	-102.35
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(F)=C1	REAL300000418786	0	38	-2.0	-101.73	360.03	8.04	-93.69
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1F	REAL300000418787	0	40	-2.0	-103.96	362.95	8.14	-95.82
COC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1[N+](=O)[O-]	REAL300000418788	0	43	-2.0	-94.36	386.26	8.11	-86.25
CC1=CC(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1C	REAL300000418789	0	46	-2.0	-100.04	398.79	8.86	-91.18
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=C1	REAL300000418790	0	40	-2.0	-101.54	376.06	8.87	-92.67
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000418793	0	39	-3.0	-160.57	370.95	8.06	-152.51
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC([N+](=O)[O-])=C1F	REAL300000418794	1	42	-2.0	-95.94	383.78	8.69	-87.25
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C1	REAL300000418795	0	36	-2.0	-101.81	349.70	6.82	-94.99
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418796	0	43	-2.0	-111.99	376.18	7.76	-104.23
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000418797	0	42	-2.0	-96.49	381.48	6.20	-90.29
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=C1	REAL300000418798	0	36	-2.0	-94.09	356.18	6.55	-87.54
CC1=CC=C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)C(C)=C1C(=O)[O-]	REAL300000418799	0	46	-2.0	-102.04	394.99	9.32	-92.72
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000418800	0	42	-3.0	-172.92	380.68	8.54	-164.38
CC1=CC(F)=C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000418800	1	43	-2.0	-113.92	383.25	8.52	-105.40
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418801	0	42	-3.0	-176.52	384.22	8.63	-167.89
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418802	1	45	-2.0	-113.73	393.83	8.64	-105.09
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000418803	0	44	-2.0	-100.60	390.49	4.99	-95.61
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C([N+](=O)[O-])=N1	REAL300000418804	0	42	-2.0	-109.78	381.05	8.21	-101.57
CCC1=CC=C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000418805	0	46	-2.0	-107.14	396.09	9.08	-98.06
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=C1	REAL300000418806	0	48	-2.0	-102.16	407.89	5.91	-96.25
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1C#N	REAL300000418809	0	41	-2.0	-113.48	367.99	8.16	-105.32
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418810	0	43	-2.0	-111.23	382.43	7.83	-103.40
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000418811	0	46	-2.0	-104.61	403.73	9.02	-95.59
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418812	0	43	-2.0	-111.92	378.06	8.12	-103.80
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1	REAL300000418813	0	45	-2.0	-100.49	388.80	5.12	-95.37
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1F	REAL300000418815	0	40	-2.0	-110.45	356.56	8.08	-102.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000418816	1	43	-2.0	-98.24	379.77	4.99	-93.25
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1	REAL300000418817	0	44	-2.0	-114.87	376.53	7.41	-107.46
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418818	1	44	-2.0	-104.74	385.81	7.10	-97.64
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418819	0	42	-2.0	-108.15	370.01	4.35	-103.80
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1Cl	REAL300000418820	0	40	-2.0	-106.75	362.60	8.52	-98.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C(C)O1	REAL300000418822	0	40	-2.0	-102.82	353.72	6.96	-95.86
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C=C1	REAL300000418823	0	43	-2.0	-109.68	376.99	5.05	-104.63
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418825	1	44	-2.0	-103.49	377.34	7.40	-96.09
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C(C(=O)OC)O1	REAL300000418826	0	46	-2.0	-98.65	407.73	7.79	-90.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)O1	REAL300000418828	0	37	-2.0	-104.05	335.34	6.19	-97.86
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418829	0	40	-2.0	-105.39	364.39	7.78	-97.61
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1	REAL300000418830	1	40	-2.0	-101.07	356.78	6.04	-95.03
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C2=NC=CC=C2C=C1	REAL300000418831	0	45	-2.0	-120.07	384.37	9.13	-110.94
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1	REAL300000418832	0	43	-2.0	-114.16	380.00	9.37	-104.79
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418833	0	43	-2.0	-107.88	382.37	8.83	-99.05
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1	REAL300000418834	0	39	-2.0	-92.40	363.50	8.06	-84.34
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1	REAL300000418835	1	37	-2.0	-96.10	353.88	7.96	-88.14
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C(C)O1	REAL300000418836	0	43	-2.0	-98.80	388.57	6.94	-91.86
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1	REAL300000418837	0	36	-2.0	-96.15	342.50	6.06	-90.09
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)N=C1C	REAL300000418838	0	43	-2.0	-113.03	376.28	7.16	-105.87
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418839	0	40	-2.0	-106.20	365.28	8.60	-97.60
CCN1C=C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000418840	0	44	-2.0	-101.03	393.63	8.02	-93.01
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000418840	1	43	-3.0	-170.65	387.22	8.16	-162.49
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418841	0	40	-2.0	-102.69	370.62	6.11	-96.58
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418842	0	49	-2.0	-103.53	406.88	7.94	-95.59
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CN1C	REAL300000418843	0	47	-2.0	-106.21	413.77	8.39	-97.82
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418844	1	45	-2.0	-99.85	392.62	9.45	-90.40
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1	REAL300000418845	0	37	-2.0	-108.75	346.81	8.16	-100.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(Cl)=N1	REAL300000418846	0	39	-2.0	-103.81	360.63	6.69	-97.12
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418847	0	42	-2.0	-102.99	379.78	7.57	-95.42
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1Cl	REAL300000418848	1	41	-2.0	-100.57	385.94	8.84	-91.73
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000418849	0	39	-2.0	-100.47	360.75	5.96	-94.51
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)C=C12	REAL300000418850	0	44	-2.0	-95.28	391.97	5.08	-90.20
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000418851	0	39	-2.0	-98.59	368.87	7.71	-90.88
COC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CN=C1Cl	REAL300000418853	0	40	-2.0	-94.88	371.59	5.33	-89.55
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=C1	REAL300000418854	0	39	-2.0	-94.66	365.47	6.61	-88.05
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418855	1	43	-2.0	-100.94	391.93	8.10	-92.84
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418856	0	52	-2.0	-103.74	423.51	8.39	-95.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(C)=C1F	REAL300000418857	1	44	-2.0	-100.60	380.83	7.48	-93.12
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(Cl)=C1	REAL300000418858	0	38	-2.0	-97.59	364.63	8.33	-89.26
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1	REAL300000418859	0	40	-2.0	-112.97	358.67	7.69	-105.28
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418860	0	42	-2.0	-100.55	380.70	6.23	-94.32
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=C1	REAL300000418861	0	34	-2.0	-98.24	335.12	6.10	-92.14
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000418862	1	45	-2.0	-102.26	390.02	9.34	-92.92
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418863	0	47	-2.0	-111.21	394.28	9.13	-102.08
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C=C1	REAL300000418864	0	37	-2.0	-101.64	351.82	7.77	-93.87
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418868	0	37	-2.0	-98.50	359.71	7.60	-90.90
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1	REAL300000418869	1	40	-2.0	-104.71	362.92	8.25	-96.46
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1	REAL300000418870	0	40	-2.0	-100.48	368.66	6.26	-94.22
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418871	1	41	-2.0	-110.64	366.83	8.44	-102.20
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C=C1	REAL300000418872	0	45	-2.0	-98.99	400.19	8.66	-90.33
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418873	1	46	-2.0	-107.25	384.75	9.37	-97.88
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(C)=CS1	REAL300000418874	0	43	-2.0	-112.55	385.96	8.55	-104.00
COC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1F	REAL300000418875	1	41	-2.0	-97.77	366.45	6.74	-91.03
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1	REAL300000418876	0	36	-2.0	-108.69	343.43	7.77	-100.92
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1	REAL300000418877	0	34	-2.0	-103.26	313.42	5.37	-97.89
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418878	0	36	-2.0	-92.61	325.20	3.79	-88.82
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)=CN=C21	REAL300000418879	1	42	-2.0	-99.13	375.09	6.51	-92.62
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1	REAL300000418880	0	36	-2.0	-95.07	351.91	7.14	-87.93
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418882	1	45	-2.0	-105.61	397.91	5.59	-100.02
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1	REAL300000418883	0	41	-2.0	-106.03	358.72	6.81	-99.22
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418884	0	38	-2.0	-101.25	364.66	8.33	-92.92
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C1	REAL300000418885	0	40	-2.0	-102.16	374.69	6.45	-95.71
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418886	1	43	-2.0	-103.22	360.99	9.09	-94.13
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418887	0	45	-2.0	-117.65	384.72	7.89	-109.76
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418889	0	40	-2.0	-108.61	350.34	8.34	-100.27
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C=C1	REAL300000418890	0	41	-2.0	-117.49	369.13	7.45	-110.04
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418891	0	50	-2.0	-103.26	421.85	8.88	-94.38
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)C=CC=C12	REAL300000418892	0	45	-2.0	-120.06	388.63	8.56	-111.50
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418894	1	41	-2.0	-107.31	382.00	4.67	-102.64
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1	REAL300000418895	0	38	-2.0	-111.20	355.51	5.68	-105.52
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418896	0	40	-2.0	-101.41	355.32	4.84	-96.57
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1)OCO2	REAL300000418898	1	43	-2.0	-101.83	372.23	6.81	-95.02
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418900	0	43	-2.0	-103.45	380.91	8.57	-94.88
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418901	1	47	-2.0	-103.34	401.52	7.22	-96.12
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418902	0	46	-2.0	-117.40	397.84	9.69	-107.71
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000418904	0	40	-2.0	-107.59	375.71	4.85	-102.74
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000418904	1	39	-3.0	-165.10	372.41	3.73	-161.37
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1F	REAL300000418905	1	44	-2.0	-104.86	391.90	6.39	-98.47
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000418906	0	42	-2.0	-106.84	387.51	2.99	-103.85
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418907	1	41	-2.0	-106.54	363.59	8.63	-97.91
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418908	1	41	-2.0	-110.15	372.99	8.53	-101.62
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C1	REAL300000418909	0	37	-2.0	-98.74	360.60	8.44	-90.30
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(N)=NO1	REAL300000418911	0	38	-2.0	-95.31	338.27	4.74	-90.57
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418912	0	41	-2.0	-107.48	375.73	7.68	-99.80
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1	REAL300000418913	0	38	-2.0	-100.40	358.24	6.15	-94.25
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418916	1	44	-2.0	-107.24	375.70	7.45	-99.79
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000418919	0	35	-2.0	-96.03	343.24	6.92	-89.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000418920	0	39	-2.0	-102.34	347.36	6.18	-96.16
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1	REAL300000418921	0	42	-2.0	-104.70	371.94	7.74	-96.96
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(F)=C1	REAL300000418922	0	43	-2.0	-103.50	390.99	8.10	-95.40
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1F	REAL300000418923	0	43	-2.0	-98.35	390.05	8.06	-90.29
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1C#N	REAL300000418924	1	41	-2.0	-97.21	370.70	8.27	-88.94
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1	REAL300000418925	0	36	-2.0	-90.84	348.47	6.06	-84.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(F)=C1	REAL300000418927	0	41	-2.0	-105.51	365.72	6.74	-98.77
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1[N+](=O)[O-]	REAL300000418928	0	45	-2.0	-116.96	391.52	10.56	-106.40
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1	REAL300000418930	1	40	-2.0	-102.64	364.90	8.30	-94.34
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=C1	REAL300000418931	1	47	-2.0	-108.61	404.96	10.78	-97.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)N(C)N=C1	REAL300000418933	0	40	-2.0	-97.20	346.60	5.89	-91.31
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)O1	REAL300000418935	0	35	-2.0	-95.89	334.67	5.92	-89.97
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1	REAL300000418936	0	34	-2.0	-101.20	321.84	6.28	-94.92
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1	REAL300000418937	0	34	-2.0	-101.55	313.27	5.25	-96.30
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418938	0	48	-2.0	-113.05	414.07	6.88	-106.17
CC1=CC(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000418939	0	43	-2.0	-109.42	377.85	8.46	-100.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000418940	1	40	-2.0	-98.29	357.91	4.06	-94.23
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1	REAL300000418941	0	37	-2.0	-103.99	352.97	7.96	-96.03
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418943	1	48	-2.0	-105.14	409.32	8.51	-96.63
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418944	0	46	-2.0	-106.00	408.27	10.15	-95.85
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418945	0	46	-2.0	-105.70	404.10	9.86	-95.84
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1	REAL300000418946	0	40	-2.0	-106.18	367.31	8.73	-97.45
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)N(C)N=C1	REAL300000418947	0	46	-2.0	-103.85	401.84	7.38	-96.47
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)=C2O1	REAL300000418948	0	48	-2.0	-116.65	408.60	8.58	-108.07
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1	REAL300000418949	0	40	-2.0	-109.57	357.34	6.01	-103.56
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418950	1	44	-2.0	-106.49	382.10	7.59	-98.90
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1	REAL300000418951	0	37	-2.0	-105.76	353.08	8.24	-97.52
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)C=C2C=C1	REAL300000418953	1	46	-2.0	-107.05	398.04	10.30	-96.75
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1	REAL300000418954	0	34	-2.0	-104.24	338.72	6.83	-97.41
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418955	0	37	-2.0	-103.48	344.31	7.04	-96.44
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1	REAL300000418956	0	34	-2.0	-100.21	329.03	4.18	-96.03
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1	REAL300000418957	0	36	-2.0	-99.52	337.64	5.48	-94.04
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418958	0	46	-2.0	-99.49	395.28	6.43	-93.06
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000418959	0	46	-2.0	-98.37	399.91	5.92	-92.45
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1	REAL300000418961	0	40	-2.0	-101.09	366.92	7.84	-93.25
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418962	0	42	-2.0	-113.05	371.89	6.96	-106.09
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418963	0	36	-2.0	-97.36	339.23	5.67	-91.69
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1	REAL300000418966	1	44	-2.0	-104.44	379.96	9.47	-94.97
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1	REAL300000418967	0	34	-2.0	-106.80	329.02	6.42	-100.38
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300000418968	0	40	-2.0	-104.00	369.37	6.22	-97.78
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1	REAL300000418969	1	46	-2.0	-104.68	395.57	8.97	-95.71
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1F	REAL300000418970	1	38	-2.0	-94.25	357.44	7.81	-86.44
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000418973	0	42	-2.0	-96.91	383.09	8.73	-88.18
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418974	0	43	-2.0	-126.04	381.91	8.71	-117.33
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=C1	REAL300000418975	0	38	-2.0	-101.05	363.62	6.67	-94.38
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C1	REAL300000418978	0	37	-2.0	-96.36	363.31	7.57	-88.79
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1	REAL300000418979	0	34	-2.0	-104.36	312.36	3.95	-100.41
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1	REAL300000418980	0	42	-2.0	-109.55	367.73	4.28	-105.27
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000418981	0	40	-2.0	-106.41	362.18	7.91	-98.50
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CN=C1C	REAL300000418982	0	45	-2.0	-96.87	396.98	6.72	-90.15
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1	REAL300000418983	0	38	-2.0	-93.47	354.13	6.22	-87.25
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418984	0	39	-2.0	-95.38	358.29	6.76	-88.62
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418985	1	46	-2.0	-111.22	407.70	8.81	-102.41
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=C1	REAL300000418986	1	39	-2.0	-95.16	370.51	7.25	-87.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=NN1C	REAL300000418990	0	40	-2.0	-102.48	351.40	5.61	-96.87
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000418991	1	41	-2.0	-105.03	361.82	8.46	-96.57
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000418992	0	40	-2.0	-102.77	354.12	5.73	-97.04
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418993	1	44	-2.0	-102.46	402.54	7.60	-94.86
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000418994	0	37	-2.0	-95.14	346.61	5.97	-89.17
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C=C1	REAL300000418996	1	42	-2.0	-101.47	377.17	4.57	-96.90
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1	REAL300000418998	0	37	-2.0	-101.08	346.41	4.90	-96.18
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C1	REAL300000418999	0	43	-2.0	-97.12	377.03	7.30	-89.82
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C=C1	REAL300000419001	1	44	-2.0	-109.15	386.72	7.12	-102.03
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C=C1	REAL300000419002	0	40	-2.0	-100.87	367.95	4.95	-95.92
COC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000419003	1	41	-2.0	-98.34	376.26	7.23	-91.11
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000419004	0	41	-2.0	-113.40	382.33	4.01	-109.39
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000419005	0	39	-3.0	-179.56	362.86	7.96	-171.60
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C1	REAL300000419006	0	34	-2.0	-107.31	330.07	5.38	-101.93
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1	REAL300000419007	0	39	-2.0	-114.96	361.93	6.79	-108.17
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1	REAL300000419008	1	42	-2.0	-106.80	366.54	7.22	-99.58
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C1	REAL300000419010	0	43	-2.0	-112.49	381.25	9.68	-102.81
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C=C1	REAL300000419011	0	40	-2.0	-108.40	370.90	6.45	-101.95
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419012	0	40	-2.0	-104.97	357.86	8.88	-96.09
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1	REAL300000419013	0	42	-2.0	-114.07	367.05	7.19	-106.88
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(F)=C1	REAL300000419019	0	40	-2.0	-111.36	360.65	8.32	-103.04
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C1	REAL300000419020	0	36	-2.0	-96.84	355.78	6.57	-90.27
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)=CC=C21	REAL300000419021	1	42	-2.0	-103.05	374.59	5.83	-97.22
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000419023	0	43	-2.0	-95.74	386.93	8.59	-87.15
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000419023	1	42	-3.0	-166.67	384.16	8.60	-158.07
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419025	0	41	-2.0	-107.59	365.40	7.22	-100.37
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C=C1	REAL300000419026	1	40	-2.0	-95.34	370.32	6.48	-88.86
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000419027	1	45	-2.0	-101.90	393.13	9.22	-92.68
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1Cl	REAL300000419029	0	40	-2.0	-95.01	373.99	4.60	-90.41
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419030	0	36	-2.0	-95.44	327.69	5.32	-90.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000419031	1	40	-2.0	-99.39	366.20	8.47	-90.92
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1	REAL300000419032	1	43	-2.0	-114.15	378.83	8.36	-105.79
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C([N+](=O)[O-])S1	REAL300000419033	0	39	-2.0	-110.71	365.32	8.57	-102.14
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=C1	REAL300000419035	1	40	-2.0	-98.57	372.73	5.56	-93.01
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1	REAL300000419036	0	36	-2.0	-107.14	331.24	5.55	-101.59
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1	REAL300000419039	0	36	-2.0	-95.27	332.14	5.53	-89.74
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=CS1	REAL300000419041	0	35	-2.0	-106.35	341.15	6.77	-99.58
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1	REAL300000419044	1	37	-2.0	-95.55	353.33	7.94	-87.61
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C1	REAL300000419045	0	46	-2.0	-110.38	392.43	7.73	-102.65
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1	REAL300000419046	0	45	-2.0	-113.92	382.93	8.57	-105.35
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419047	0	47	-2.0	-104.61	406.91	6.27	-98.34
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419053	1	44	-2.0	-115.70	386.66	4.82	-110.88
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)N(C)N=C1	REAL300000419056	0	43	-2.0	-103.72	379.97	6.45	-97.27
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)N1C	REAL300000419059	0	40	-2.0	-104.20	352.33	6.29	-97.91
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419060	1	50	-2.0	-106.82	420.78	9.03	-97.79
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1F	REAL300000419063	0	42	-2.0	-107.93	378.56	9.49	-98.44
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CN1CC1CC1	REAL300000419064	0	50	-2.0	-114.41	429.44	9.32	-105.09
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)O1	REAL300000419065	0	43	-2.0	-99.98	388.18	6.74	-93.24
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1	REAL300000419066	0	40	-2.0	-101.16	370.48	6.87	-94.29
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(C)=C1[N+](=O)[O-]	REAL300000419067	1	45	-2.0	-100.25	394.82	9.69	-90.56
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419068	0	40	-2.0	-91.27	372.35	5.99	-85.28
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1	REAL300000419069	0	36	-2.0	-100.15	348.10	5.97	-94.18
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=C1	REAL300000419070	1	47	-2.0	-115.17	396.84	10.77	-104.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(F)=C1F	REAL300000419072	0	40	-2.0	-105.84	362.82	8.15	-97.69
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)OC=C1	REAL300000419073	0	40	-2.0	-110.85	362.87	6.82	-104.03
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=N1	REAL300000419075	0	39	-2.0	-116.17	357.80	6.36	-109.81
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(C)=N1	REAL300000419076	0	49	-2.0	-102.46	418.65	8.14	-94.32
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000419077	0	38	-3.0	-171.90	355.41	6.05	-165.85
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419078	0	41	-2.0	-104.18	363.34	7.44	-96.74
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1F	REAL300000419079	1	49	-2.0	-102.07	408.97	9.63	-92.44
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419080	1	38	-2.0	-95.82	357.98	7.84	-87.98
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1C(F)(F)F	REAL300000419081	0	40	-2.0	-99.20	363.88	6.01	-93.19
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1	REAL300000419082	0	39	-2.0	-116.10	353.90	6.56	-109.54
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1	REAL300000419082	1	39	-2.0	-102.84	354.00	6.42	-96.42
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1	REAL300000419083	0	41	-2.0	-111.58	364.48	7.33	-104.25
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419084	0	47	-2.0	-101.09	391.72	7.50	-93.59
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(C(C)(C)C)=N1	REAL300000419085	0	49	-2.0	-100.85	399.15	8.00	-92.85
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1	REAL300000419087	0	47	-2.0	-101.46	398.15	7.73	-93.73
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419088	0	40	-2.0	-95.89	364.04	6.32	-89.57
O=C([O-])CCCC1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1	REAL300000419090	0	38	-2.0	-93.95	346.11	5.90	-88.05
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1	REAL300000419090	1	38	-2.0	-102.97	346.92	5.13	-97.84
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419092	0	40	-2.0	-117.20	361.72	5.04	-112.16
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419093	0	43	-2.0	-102.53	373.58	6.53	-96.00
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1F	REAL300000419094	1	42	-2.0	-102.96	375.75	7.85	-95.11
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000419095	0	37	-2.0	-97.16	335.94	4.73	-92.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(C#N)=C1	REAL300000419096	0	41	-2.0	-109.38	370.24	8.33	-101.05
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419097	0	41	-2.0	-112.46	362.49	8.61	-103.85
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=C1	REAL300000419098	1	40	-2.0	-98.49	367.42	8.27	-90.22
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000419100	1	44	-2.0	-108.05	394.48	9.33	-98.72
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419102	0	37	-2.0	-94.95	349.98	3.18	-91.77
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1	REAL300000419104	0	33	-2.0	-97.86	317.48	5.08	-92.78
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419107	0	43	-3.0	-163.14	387.40	7.73	-155.41
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419107	1	44	-2.0	-98.43	390.12	7.68	-90.75
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C(C(N)=O)O1	REAL300000419108	0	41	-2.0	-102.68	370.27	2.99	-99.69
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419109	1	46	-2.0	-103.61	382.39	9.88	-93.73
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1	REAL300000419110	0	37	-2.0	-109.53	345.46	7.49	-102.04
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000419112	0	36	-3.0	-158.14	359.35	6.91	-151.23
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1	REAL300000419113	1	42	-2.0	-112.98	366.98	7.87	-105.11
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419114	0	44	-2.0	-107.11	392.13	7.58	-99.53
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1F	REAL300000419115	0	38	-2.0	-107.19	356.57	7.80	-99.39
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)N=N1	REAL300000419116	0	36	-2.0	-105.24	329.53	3.70	-101.54
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1	REAL300000419117	0	44	-2.0	-101.60	380.64	7.05	-94.55
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1	REAL300000419118	0	44	-2.0	-100.83	379.21	7.19	-93.64
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1	REAL300000419119	0	47	-2.0	-98.89	400.14	7.99	-90.90
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)C=NN2C1	REAL300000419120	0	48	-2.0	-109.62	405.79	5.39	-104.23
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C1	REAL300000419121	1	43	-2.0	-102.02	381.46	4.61	-97.41
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C1	REAL300000419122	0	34	-2.0	-101.92	331.40	6.10	-95.82
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1F	REAL300000419123	1	41	-2.0	-94.33	376.61	6.93	-87.40
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1	REAL300000419124	0	44	-2.0	-103.73	373.65	7.43	-96.30
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1F	REAL300000419125	0	41	-2.0	-102.00	371.94	6.80	-95.20
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419126	0	47	-2.0	-109.10	405.17	8.76	-100.34
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419127	0	40	-2.0	-100.30	354.15	8.07	-92.23
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)=C2O1	REAL300000419128	0	45	-2.0	-114.93	387.92	7.96	-106.97
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000419129	0	45	-2.0	-101.45	399.41	7.03	-94.42
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)C=C2)CC1	REAL300000419130	1	45	-2.0	-105.95	398.98	9.59	-96.36
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419131	0	41	-2.0	-106.78	370.73	7.99	-98.79
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1	REAL300000419132	0	34	-2.0	-101.79	336.16	6.80	-94.99
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C1	REAL300000419133	0	39	-2.0	-94.94	364.88	6.56	-88.38
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419134	0	42	-2.0	-118.15	372.48	6.96	-111.19
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419135	0	39	-2.0	-94.16	345.46	4.64	-89.52
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1	REAL300000419137	1	38	-2.0	-93.54	345.63	6.16	-87.38
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1	REAL300000419138	0	40	-2.0	-106.64	369.59	8.80	-97.84
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C1	REAL300000419139	0	40	-2.0	-118.35	375.65	7.08	-111.27
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419140	0	44	-2.0	-97.99	381.66	7.14	-90.85
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1OC	REAL300000419142	0	45	-2.0	-108.81	386.34	7.23	-101.58
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1	REAL300000419143	0	40	-2.0	-106.73	360.51	7.66	-99.07
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1OC	REAL300000419144	0	45	-2.0	-111.66	390.17	7.69	-103.97
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(C2CCCC2)=N1	REAL300000419145	0	50	-2.0	-105.95	419.57	8.27	-97.68
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(C2CC2)=N1	REAL300000419146	0	44	-2.0	-105.04	386.00	7.30	-97.74
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1	REAL300000419148	0	40	-2.0	-111.51	360.17	6.59	-104.92
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)C=CC=C21	REAL300000419149	0	42	-2.0	-121.71	375.28	5.77	-115.94
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)=C21	REAL300000419150	0	44	-2.0	-105.08	371.68	9.29	-95.79
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=CN=C1N	REAL300000419151	1	41	-2.0	-103.74	358.77	5.08	-98.66
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419152	0	37	-2.0	-101.99	348.03	3.24	-98.75
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)N=CN1	REAL300000419153	0	37	-2.0	-112.05	329.85	5.47	-106.58
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1	REAL300000419155	1	40	-2.0	-102.42	364.44	7.76	-94.66
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(C2CCC2)=N1	REAL300000419156	0	47	-2.0	-104.88	402.26	7.78	-97.10
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1	REAL300000419157	0	34	-2.0	-101.49	336.57	6.92	-94.57
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1	REAL300000419158	0	47	-2.0	-101.69	404.73	8.02	-93.67
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1	REAL300000419159	0	41	-2.0	-107.73	367.48	8.56	-99.17
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419160	1	46	-2.0	-105.96	395.13	9.58	-96.38
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419161	0	43	-2.0	-98.15	388.36	5.64	-92.51
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419162	0	38	-2.0	-106.89	355.25	7.72	-99.17
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419163	0	44	-2.0	-102.16	376.45	6.90	-95.26
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419166	0	46	-2.0	-96.68	377.72	7.29	-89.39
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000419167	0	46	-2.0	-103.06	395.24	7.08	-95.98
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1	REAL300000419168	0	44	-2.0	-102.34	379.31	6.46	-95.88
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000419169	0	48	-2.0	-102.11	405.00	8.19	-93.92
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1	REAL300000419170	1	40	-2.0	-104.36	358.72	8.19	-96.17
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C1	REAL300000419171	0	37	-2.0	-103.00	352.30	7.75	-95.25
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C1	REAL300000419172	0	37	-2.0	-95.94	362.48	7.48	-88.46
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419173	0	40	-2.0	-97.76	352.92	5.59	-92.17
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1C	REAL300000419175	1	43	-2.0	-105.32	363.94	8.71	-96.61
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1	REAL300000419176	0	40	-2.0	-113.13	351.72	8.67	-104.46
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419177	1	48	-2.0	-113.31	415.32	9.40	-103.91
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000419179	1	46	-2.0	-105.02	409.15	9.02	-96.00
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1Cl	REAL300000419180	0	38	-2.0	-103.82	363.35	8.23	-95.59
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1	REAL300000419181	0	37	-2.0	-103.95	350.76	7.61	-96.34
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1	REAL300000419182	1	44	-2.0	-105.95	379.96	9.47	-96.48
COC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=CS1	REAL300000419183	0	38	-2.0	-108.30	353.00	5.82	-102.48
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419184	0	43	-2.0	-99.62	396.92	7.72	-91.90
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1	REAL300000419185	0	44	-2.0	-107.72	385.45	9.54	-98.18
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1	REAL300000419186	0	47	-2.0	-99.46	395.51	7.98	-91.48
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419187	0	46	-2.0	-99.14	390.69	7.27	-91.87
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1	REAL300000419188	1	46	-2.0	-110.29	401.95	4.88	-105.41
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)C2=N1	REAL300000419190	0	42	-2.0	-113.96	374.34	5.73	-108.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)O1	REAL300000419191	0	40	-2.0	-103.89	356.82	6.97	-96.92
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1	REAL300000419192	0	37	-2.0	-96.74	354.60	6.60	-90.14
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419193	0	41	-2.0	-100.35	371.69	7.28	-93.07
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419194	1	43	-2.0	-103.88	383.96	8.90	-94.98
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1	REAL300000419195	1	41	-2.0	-103.98	370.00	6.95	-97.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)S1	REAL300000419196	0	38	-2.0	-101.39	354.53	5.83	-95.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000419197	0	48	-2.0	-119.95	402.20	9.71	-110.24
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1	REAL300000419199	0	40	-2.0	-99.78	363.41	6.08	-93.70
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419200	1	47	-2.0	-106.90	407.67	8.06	-98.84
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419201	0	47	-2.0	-101.12	411.76	8.50	-92.62
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1	REAL300000419202	0	50	-2.0	-101.77	417.13	8.32	-93.45
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1	REAL300000419203	1	40	-2.0	-106.59	352.38	8.29	-98.30
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1	REAL300000419204	0	40	-2.0	-109.07	357.72	7.72	-101.35
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1	REAL300000419205	1	39	-2.0	-105.32	361.68	6.77	-98.55
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=N1	REAL300000419206	0	39	-2.0	-102.24	351.45	4.25	-97.99
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1Cl	REAL300000419207	0	40	-2.0	-99.51	372.41	6.30	-93.21
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1	REAL300000419208	0	34	-2.0	-97.82	330.49	5.99	-91.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000419209	1	46	-2.0	-113.19	389.50	10.22	-102.97
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C1	REAL300000419211	0	37	-2.0	-99.47	358.30	7.98	-91.49
CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(C2=CC=CC=C2)=N1	REAL300000419212	0	47	-2.0	-106.46	408.20	8.79	-97.67
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1	REAL300000419214	0	41	-2.0	-104.68	374.56	8.69	-95.99
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000419215	0	40	-2.0	-94.00	376.20	8.19	-85.81
CC1=COC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419217	0	37	-2.0	-103.66	335.32	6.04	-97.62
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=NN1	REAL300000419218	0	43	-2.0	-102.25	390.94	5.18	-97.07
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1OC	REAL300000419219	0	42	-2.0	-106.18	383.69	5.39	-100.79
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1	REAL300000419220	0	36	-2.0	-90.68	348.36	6.01	-84.67
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419221	0	43	-2.0	-102.36	375.14	7.31	-95.05
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(CCCC(=O)[O-])C=C3)=CC=C21	REAL300000419222	1	44	-2.0	-110.79	384.44	9.14	-101.65
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=C1	REAL300000419223	0	34	-2.0	-93.70	355.82	7.47	-86.23
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1Cl	REAL300000419224	0	37	-2.0	-99.20	350.62	5.43	-93.77
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C=C1	REAL300000419225	1	42	-2.0	-101.64	382.19	8.02	-93.62
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419226	0	43	-2.0	-115.75	368.56	9.20	-106.55
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)OC=C1	REAL300000419227	0	35	-2.0	-104.11	332.58	5.84	-98.27
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419228	0	39	-2.0	-95.21	358.48	6.77	-88.44
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419229	1	48	-2.0	-107.17	414.41	8.99	-98.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(C2CC2)=N1	REAL300000419230	0	47	-2.0	-105.19	407.59	8.15	-97.04
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C2=NSN=C2C=C1	REAL300000419231	0	41	-2.0	-111.98	368.76	6.74	-105.24
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419234	0	50	-2.0	-102.28	418.64	8.51	-93.77
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1	REAL300000419235	0	34	-2.0	-100.95	329.51	5.87	-95.08
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1	REAL300000419236	0	34	-2.0	-98.29	339.55	6.89	-91.40
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419237	0	45	-2.0	-99.33	383.02	5.13	-94.20
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1	REAL300000419238	1	44	-2.0	-108.00	374.29	9.54	-98.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(C)=N1	REAL300000419242	1	43	-2.0	-97.85	373.58	4.82	-93.03
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419243	0	43	-2.0	-108.52	378.12	5.21	-103.31
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419244	0	40	-2.0	-102.39	373.43	5.07	-97.32
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1C	REAL300000419245	1	43	-2.0	-99.18	378.05	4.79	-94.39
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=N1	REAL300000419246	0	46	-2.0	-102.42	398.15	7.47	-94.95
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419247	0	46	-2.0	-102.99	394.34	7.11	-95.88
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C1	REAL300000419248	0	36	-2.0	-100.34	358.07	5.36	-94.98
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=CO1	REAL300000419249	0	35	-2.0	-104.65	333.70	5.78	-98.87
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)SC=C1	REAL300000419250	0	35	-2.0	-107.36	342.79	6.70	-100.66
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419251	0	43	-2.0	-98.53	372.46	6.64	-91.89
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C1C	REAL300000419252	0	45	-2.0	-97.03	397.51	6.74	-90.29
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419253	0	40	-2.0	-109.50	370.03	9.14	-100.36
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1	REAL300000419254	0	44	-2.0	-97.31	382.95	7.49	-89.82
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1	REAL300000419255	0	44	-2.0	-107.75	386.98	8.39	-99.36
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=NN1C(C)C	REAL300000419257	0	46	-2.0	-102.88	393.82	7.19	-95.69
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=C1	REAL300000419258	1	44	-2.0	-110.48	390.61	9.57	-100.91
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1	REAL300000419259	0	39	-2.0	-99.60	358.08	6.39	-93.21
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C=C1	REAL300000419261	1	44	-2.0	-105.50	392.27	9.61	-95.89
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)C=C1	REAL300000419262	0	41	-2.0	-106.02	381.19	7.83	-98.19
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1	REAL300000419263	1	38	-2.0	-104.87	341.76	4.51	-100.36
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419264	1	46	-2.0	-107.56	395.65	9.04	-98.52
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C1	REAL300000419265	0	40	-2.0	-113.61	370.41	8.37	-105.24
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1	REAL300000419266	0	33	-2.0	-95.67	316.40	4.97	-90.70
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1	REAL300000419267	0	41	-2.0	-115.15	378.61	6.64	-108.51
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=C1	REAL300000419268	1	44	-2.0	-109.99	386.56	9.68	-100.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C(C(F)F)=C1	REAL300000419269	1	44	-2.0	-102.05	382.17	7.84	-94.21
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419270	0	42	-2.0	-111.12	371.52	6.96	-104.16
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(CCCC(=O)[O-])C=C1	REAL300000419271	0	43	-2.0	-120.09	380.07	8.92	-111.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000419272	0	45	-2.0	-120.47	388.48	8.54	-111.93
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000419273	0	42	-3.0	-163.93	381.32	7.93	-156.00
CCC1=C(S(=O)(=O)NC2=CC=C(CCCC(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000419273	1	43	-2.0	-107.75	383.70	7.37	-100.38
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419274	0	50	-2.0	-113.84	420.18	9.37	-104.47
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)C=C(Cl)S1	REAL300000419275	0	37	-2.0	-98.29	356.02	7.76	-90.53
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1	REAL300000419276	0	33	-2.0	-99.69	317.32	4.49	-95.20
O=C([O-])CCCC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1	REAL300000419277	0	44	-2.0	-103.97	376.46	6.69	-97.28
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CCCC(=O)[O-])C=C2)=C1	REAL300000419278	0	40	-2.0	-109.68	357.65	8.10	-101.58
NS(=O)(=O)C1=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000419279	0	34	-2.0	-109.58	333.07	-1.45	-111.03
NS(=O)(=O)C1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300000419280	0	34	-2.0	-98.42	332.57	-1.59	-100.01
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300000419280	1	33	-3.0	-165.86	326.06	-1.47	-167.33
NS(=O)(=O)C1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000419281	0	34	-2.0	-95.55	328.53	-1.48	-97.03
NS(=O)(=O)C1=CC(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1[O-]	REAL300000419282	0	38	-2.0	-97.85	364.32	-0.32	-98.17
CC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000419283	0	37	-2.0	-109.06	344.55	-0.95	-110.01
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1[O-]	REAL300000419284	0	33	-3.0	-178.73	331.55	-1.41	-180.14
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1[O-]	REAL300000419285	0	30	-3.0	-174.87	319.31	-2.47	-177.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300000419286	0	37	-2.0	-107.69	343.37	-0.69	-108.38
CN1C=C(S(=O)(=O)[N-]C2=CC=C([O-])C(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000419287	0	34	-3.0	-179.39	332.72	-2.13	-181.52
CN1C=C(S(=O)(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000419287	1	35	-2.0	-95.62	335.24	-2.15	-97.77
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C([O-])C(S(N)(=O)=O)=C2)=C1	REAL300000419288	0	33	-3.0	-169.42	335.25	-1.79	-171.21
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000419289	0	30	-3.0	-175.34	317.72	-2.44	-177.78
CC1=C(S(=O)(=O)[N-]C2=CC=C([O-])C(S(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000419290	0	33	-3.0	-172.32	329.08	-2.35	-174.67
CC1=C(S(=O)(=O)[N-]C2=CC=C([O-])C(S(N)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300000419291	0	33	-3.0	-177.33	334.67	-1.58	-178.91
CC1=C(S(=O)(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300000419291	1	34	-2.0	-104.60	337.60	-1.60	-106.20
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1[O-]	REAL300000419292	0	33	-3.0	-165.27	330.65	-1.45	-166.72
NS(=O)(=O)C1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1[O-]	REAL300000419292	1	34	-2.0	-95.28	333.06	-1.44	-96.72
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1[O-]	REAL300000419293	0	30	-3.0	-167.99	318.40	-2.35	-170.34
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000419294	0	33	-3.0	-172.14	332.53	-1.41	-173.55
NS(=O)(=O)C1=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000419294	1	34	-2.0	-90.77	334.99	-1.42	-92.19
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1[O-]	REAL300000419295	0	33	-3.0	-165.80	331.53	-1.40	-167.20
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1[O-]	REAL300000419296	0	34	-3.0	-180.63	335.79	-3.76	-184.39
NS(=O)(=O)C1=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1[O-]	REAL300000419297	0	37	-2.0	-96.62	354.97	-0.83	-97.45
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300000419298	0	37	-2.0	-96.00	337.56	-0.83	-96.83
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300000419299	0	37	-2.0	-96.31	343.29	-0.68	-96.99
CCN1C=C(S(=O)(=O)[N-]C2=CC=C([O-])C(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000419300	0	37	-3.0	-181.04	354.10	-1.27	-182.31
CCN1C=C(S(=O)(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000419300	1	38	-2.0	-96.35	356.61	-1.29	-97.64
CC1=CC(S(=O)(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000419301	0	37	-2.0	-94.68	344.53	-0.94	-95.62
CC1=CC(S(=O)(=O)[N-]C2=CC=C([O-])C(S(N)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000419301	1	36	-3.0	-166.23	342.08	-0.94	-167.17
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1[O-]	REAL300000419302	0	33	-3.0	-186.25	329.73	-1.44	-187.69
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1[O-]	REAL300000419303	0	32	-3.0	-179.46	322.30	-3.36	-182.82
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000419304	0	30	-3.0	-165.91	326.22	-2.50	-168.41
CCC1=C(S(=O)(=O)[N-]C2=CC=C([O-])C(S(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000419305	0	36	-3.0	-172.59	348.20	-1.50	-174.09
CC1=CC=C(Br)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000419314	1	28	-2.0	-101.08	300.60	5.38	-95.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=CC=C2Br)=C1	REAL300000419317	1	31	-2.0	-97.13	316.55	6.05	-91.08
CC1=CC=C(Br)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000419324	1	28	-2.0	-96.01	299.67	5.49	-90.52
CC1=CC=C(Br)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000419327	0	32	-2.0	-104.43	314.44	4.91	-99.52
CC1=CC=C(Br)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000419337	1	30	-2.0	-103.40	304.39	4.42	-98.98
CC1=CC=C(Br)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000419338	1	28	-2.0	-94.61	307.52	5.33	-89.28
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O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1	REAL300000419629	0	35	-2.0	-89.38	337.26	4.84	-84.54
CN1C=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1C(=O)[O-]	REAL300000419630	0	32	-2.0	-101.18	312.82	3.90	-97.28
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N=CS1	REAL300000419631	0	35	-2.0	-104.56	329.97	3.38	-101.18
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1	REAL300000419632	0	31	-2.0	-93.42	315.29	4.24	-89.18
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1C(=O)[O-]	REAL300000419633	0	37	-2.0	-104.86	337.63	5.87	-98.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=CS1	REAL300000419634	0	28	-2.0	-98.90	297.83	3.58	-95.32
COC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=CC(C(=O)[O-])=C1OC	REAL300000419635	0	39	-2.0	-103.31	364.50	4.36	-98.95
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1C(=O)[O-]	REAL300000419636	0	35	-2.0	-108.80	333.46	4.62	-104.18
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1	REAL300000419637	0	41	-2.0	-107.28	361.41	7.18	-100.10
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N=CS1	REAL300000419638	0	40	-2.0	-105.68	360.08	6.56	-99.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N=CS1	REAL300000419639	0	37	-2.0	-102.13	336.30	6.28	-95.85
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N=CS1	REAL300000419640	0	38	-2.0	-107.69	356.59	5.11	-102.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=CC(C(=O)[O-])=C1	REAL300000419641	0	33	-3.0	-176.83	334.57	5.12	-171.71
O=C([O-])C1=CC(S(=O)(=O)NC2=C(C3CC3)N=CS2)=CC(C(=O)[O-])=C1	REAL300000419641	1	34	-2.0	-107.39	326.30	4.76	-102.63
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1	REAL300000419642	0	38	-2.0	-107.59	350.44	6.45	-101.14
CC1=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C(C(=O)[O-])O1	REAL300000419643	0	31	-2.0	-96.85	309.19	3.69	-93.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=CC2=C1OCCO2	REAL300000419644	0	37	-2.0	-107.58	348.35	4.32	-103.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1	REAL300000419645	0	35	-2.0	-103.74	335.10	3.64	-100.10
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=C(C4CC4)N=CS3)C=C2C1	REAL300000419646	0	39	-2.0	-90.68	359.81	5.16	-85.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=CC(Cl)=C1Cl	REAL300000419647	0	31	-2.0	-92.76	333.86	5.39	-87.37
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1Cl	REAL300000419648	0	35	-2.0	-88.06	353.27	5.37	-82.69
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=CC=C1OCC(=O)[O-]	REAL300000419649	0	38	-2.0	-89.79	357.33	5.53	-84.26
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N=CS1	REAL300000419650	0	34	-2.0	-94.52	326.88	5.37	-89.15
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=CC=C1OCCCC(=O)[O-]	REAL300000419651	0	44	-2.0	-90.14	399.77	6.47	-83.67
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1F	REAL300000419652	0	35	-2.0	-89.03	343.47	4.89	-84.14
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1C(=O)[O-]	REAL300000419653	0	38	-2.0	-109.36	355.31	5.53	-103.83
CC1=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C(C(=O)[O-])S1	REAL300000419654	0	31	-2.0	-100.07	315.87	4.44	-95.63
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1	REAL300000419655	0	31	-2.0	-92.33	334.40	5.57	-86.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C(Cl)=C1	REAL300000419656	0	31	-2.0	-88.35	319.24	5.11	-83.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1F	REAL300000419657	0	31	-2.0	-90.41	310.71	4.59	-85.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)S1	REAL300000419658	0	28	-2.0	-92.46	298.44	3.68	-88.78
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1	REAL300000419659	0	31	-2.0	-93.90	312.57	4.62	-89.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1F	REAL300000419660	0	34	-2.0	-101.37	331.93	5.26	-96.11
COC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C(Cl)C=C1C(=O)[O-]	REAL300000419661	0	35	-2.0	-92.99	346.48	5.17	-87.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C(F)=C1	REAL300000419662	0	31	-2.0	-90.13	311.65	4.62	-85.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1Cl	REAL300000419663	0	31	-2.0	-88.42	318.66	4.95	-83.47
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N=CS1	REAL300000419664	0	34	-2.0	-96.09	335.62	5.75	-90.34
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1	REAL300000419665	0	39	-2.0	-87.75	369.91	5.96	-81.79
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1	REAL300000419666	0	33	-2.0	-88.30	334.36	5.22	-83.08
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1	REAL300000419667	0	32	-2.0	-102.34	315.90	2.27	-100.07
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1	REAL300000419668	0	34	-2.0	-94.24	328.34	5.34	-88.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=CC(Cl)=C1F	REAL300000419669	0	31	-2.0	-93.74	326.88	5.08	-88.66
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)N=CS1	REAL300000419670	0	34	-2.0	-99.27	316.26	5.19	-94.08
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=CC(C(=O)[O-])=C1F	REAL300000419671	0	34	-2.0	-101.90	331.01	5.20	-96.70
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)N=CS1	REAL300000419672	0	34	-2.0	-90.96	321.59	5.32	-85.64
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=CC(C(=O)[O-])=C1C	REAL300000419673	0	37	-2.0	-105.79	339.64	5.64	-100.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=CC=C1[N+](=O)[O-]	REAL300000419674	0	33	-2.0	-101.79	332.73	5.65	-96.14
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1	REAL300000419675	0	31	-2.0	-91.84	317.93	4.68	-87.16
CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C(C)=C1C(=O)[O-]	REAL300000419676	0	37	-2.0	-103.44	339.56	5.97	-97.47
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1C(=O)[O-]	REAL300000419677	0	34	-2.0	-102.20	331.49	5.25	-96.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1Cl	REAL300000419678	0	34	-2.0	-100.07	337.94	5.69	-94.38
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1	REAL300000419679	0	34	-2.0	-107.58	331.21	5.24	-102.34
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1C(=O)[O-]	REAL300000419680	0	37	-2.0	-104.72	340.11	5.74	-98.98
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1CC(=O)[O-]	REAL300000419681	0	38	-2.0	-104.49	356.64	4.67	-99.82
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C2CC2)N=CS1	REAL300000419682	0	34	-2.0	-92.45	332.44	5.74	-86.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1C(F)(F)F	REAL300000419683	0	34	-2.0	-87.47	336.29	5.37	-82.10
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=CC(C(=O)[O-])=C1Cl	REAL300000419684	0	34	-2.0	-100.62	337.40	5.51	-95.11
CCN1C=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1C(=O)[O-]	REAL300000419685	0	35	-2.0	-102.26	334.20	4.76	-97.50
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C(C)=C1CC(=O)[O-]	REAL300000419686	0	43	-2.0	-103.29	371.33	7.41	-95.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C(F)C(Cl)=C1F	REAL300000419687	0	31	-2.0	-90.77	331.78	5.11	-85.66
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1C(=O)[O-]	REAL300000419688	0	34	-2.0	-96.30	336.05	5.51	-90.79
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1C(=O)[O-]	REAL300000419689	0	35	-2.0	-103.92	346.51	5.18	-98.74
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=CC=C1C(=O)[O-]	REAL300000419690	0	34	-2.0	-90.76	322.19	5.10	-85.66
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C([N+](=O)[O-])=C1	REAL300000419691	0	36	-2.0	-95.24	349.45	6.76	-88.48
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N=CS1	REAL300000419692	0	34	-2.0	-101.66	325.71	5.38	-96.28
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1[N+](=O)[O-]	REAL300000419693	0	33	-2.0	-110.11	329.92	6.41	-103.70
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1F	REAL300000419694	0	31	-2.0	-106.95	309.84	4.58	-102.37
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C1C(=O)[O-]	REAL300000419695	0	34	-2.0	-94.67	327.35	5.12	-89.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=CC2=CC=CC=C21	REAL300000419696	0	37	-2.0	-110.97	347.22	6.67	-104.30
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C1	REAL300000419697	0	30	-2.0	-100.61	302.40	2.68	-97.93
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)N=CS1	REAL300000419698	0	35	-2.0	-94.65	334.38	4.35	-90.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)=C(Cl)O1	REAL300000419699	0	28	-2.0	-90.93	306.29	3.53	-87.40
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C(C4CC4)N=CS3)C=C2)CC1	REAL300000419700	0	38	-2.0	-97.17	352.30	6.44	-90.73
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C(C4CC4)N=CS3)C=C2C1	REAL300000419701	0	38	-2.0	-100.74	351.61	6.43	-94.31
CCC1=C(S(=O)(=O)[N-]C2=C(C3CC3)N=CS2)C=C(C(=O)[O-])O1	REAL300000419702	0	34	-2.0	-96.57	328.30	4.54	-92.03
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000419703	1	37	-2.0	-115.26	346.22	4.30	-110.96
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000419704	1	37	-2.0	-104.99	341.66	4.27	-100.72
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000419705	1	37	-2.0	-118.23	341.68	4.26	-113.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=NC=CO2)=CC=C1C	REAL300000419706	0	41	-2.0	-124.90	369.82	4.07	-120.83
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000419707	1	41	-2.0	-104.34	373.13	5.56	-98.78
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000419708	1	40	-2.0	-119.53	357.69	4.80	-114.73
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000419709	0	37	-2.0	-114.51	354.75	4.84	-109.67
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000419710	1	37	-2.0	-113.77	354.19	4.66	-109.11
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000419711	1	43	-2.0	-122.04	374.78	5.60	-116.44
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000419712	0	37	-2.0	-116.48	347.15	4.33	-112.15
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000419713	1	43	-2.0	-103.91	385.26	5.85	-98.06
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000419714	0	34	-2.0	-112.26	334.86	3.29	-108.97
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000419715	1	40	-2.0	-120.14	357.11	5.05	-115.09
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000419717	0	38	-2.0	-116.37	348.32	3.62	-112.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C3=NC=CO3)=CC=C2C)=C1	REAL300000419719	0	37	-2.0	-108.24	350.78	3.94	-104.30
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000419721	0	34	-2.0	-113.59	333.33	3.29	-110.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=NC=CO2)=CC=C1C	REAL300000419723	1	43	-2.0	-118.47	368.23	5.85	-112.62
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000419724	1	44	-2.0	-124.64	385.92	6.17	-118.47
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NC=CO3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000419725	0	37	-2.0	-112.42	344.68	3.41	-109.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C3=NC=CO3)=CC=C2C)=C1	REAL300000419726	0	41	-2.0	-118.71	370.64	3.36	-115.35
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000419727	1	40	-2.0	-110.11	362.39	5.08	-105.03
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NC=CO3)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000419728	0	37	-2.0	-116.08	351.37	4.16	-111.92
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000419729	0	37	-2.0	-102.30	354.73	4.83	-97.47
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000419730	1	37	-2.0	-104.22	346.20	4.31	-99.91
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000419731	0	34	-2.0	-106.95	333.93	3.40	-103.55
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000419732	1	37	-2.0	-108.79	348.09	4.33	-104.46
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000419733	0	40	-2.0	-117.96	367.42	4.96	-113.00
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000419734	0	37	-2.0	-104.41	347.14	4.34	-100.07
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000419735	1	37	-2.0	-102.41	354.17	4.67	-97.74
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000419736	1	37	-2.0	-106.50	352.50	4.35	-102.15
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000419737	0	38	-2.0	-119.43	351.39	1.97	-117.46
CC1=CC=C(C2=NC=CO2)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000419737	1	38	-2.0	-117.59	348.80	2.81	-114.78
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000419738	1	40	-2.0	-109.53	363.86	5.05	-104.48
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000419739	1	40	-2.0	-113.26	351.71	4.90	-108.36
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000419740	1	40	-2.0	-116.74	366.51	4.91	-111.83
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000419742	1	43	-2.0	-121.46	375.14	5.34	-116.12
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000419743	0	37	-2.0	-107.56	353.41	4.40	-103.16
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000419745	0	40	-2.0	-117.74	363.15	4.87	-112.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C3=NC=CO3)=CC=C2C)=C1	REAL300000419746	0	40	-2.0	-122.21	366.71	4.96	-117.25
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NC=CO3)=CC=C2C)C=C1C(=O)[O-]	REAL300000419747	1	43	-2.0	-120.23	376.00	5.46	-114.77
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=NC=CO3)=CC=C2C)C=C1C(=O)[O-]	REAL300000419748	0	41	-2.0	-117.60	369.63	4.47	-113.13
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000419749	1	40	-2.0	-105.19	357.69	4.80	-100.39
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000419750	1	40	-2.0	-117.17	361.63	5.09	-112.08
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000419751	0	37	-2.0	-121.40	345.31	4.30	-117.10
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000419752	1	40	-2.0	-109.61	362.85	4.83	-104.78
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000419753	0	36	-2.0	-116.76	338.66	2.33	-114.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C2=NC=CO2)=CC=C1C	REAL300000419754	0	41	-2.0	-109.55	369.88	4.07	-105.48
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000419755	0	34	-2.0	-105.74	341.78	3.24	-102.50
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000419756	1	44	-2.0	-112.24	387.79	6.15	-106.09
CC1=CC=C(C2=NC=CO2)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000419757	1	44	-2.0	-113.91	385.77	6.13	-107.78
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=NC=CO3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000419758	0	40	-2.0	-112.41	363.80	4.26	-108.15
O=C([O-])C1=CC(S(=O)(=O)N(CCO)C2=CC=CC(F)=C2)=CC(C(=O)[O-])=C1	REAL300000419786	0	38	-2.0	-110.76	356.30	4.69	-106.07
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CCO)C2=CC=CC(F)=C2)=C1	REAL300000419809	0	36	-2.0	-107.05	327.78	2.80	-104.25
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1	REAL300000419842	0	36	-2.0	-84.22	349.62	1.30	-82.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC=C1F	REAL300000419843	0	29	-2.0	-101.11	297.69	2.74	-98.37
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1O	REAL300000419844	0	37	-2.0	-100.73	352.78	3.81	-96.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1	REAL300000419845	0	29	-2.0	-90.49	293.15	2.71	-87.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419846	0	29	-2.0	-101.70	293.16	2.71	-98.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1O	REAL300000419847	0	33	-2.0	-107.00	321.30	2.51	-104.49
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1	REAL300000419848	0	33	-2.0	-90.10	324.61	4.01	-86.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000419849	0	32	-2.0	-102.70	309.18	3.24	-99.46
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419850	0	29	-2.0	-98.73	306.24	3.27	-95.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC=C1Cl	REAL300000419851	0	29	-2.0	-99.32	305.67	3.11	-96.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C(Cl)C=C1Cl	REAL300000419852	0	29	-2.0	-94.39	318.73	3.66	-90.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1C	REAL300000419853	0	35	-2.0	-106.29	326.27	4.04	-102.25
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419854	0	29	-2.0	-100.16	298.63	2.77	-97.39
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1	REAL300000419855	0	35	-2.0	-89.41	336.73	4.29	-85.12
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419856	0	26	-2.0	-97.64	286.35	1.73	-95.91
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1O	REAL300000419857	0	32	-2.0	-104.39	308.59	3.49	-100.90
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1	REAL300000419858	0	33	-2.0	-88.97	324.24	2.99	-85.98
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000419859	0	30	-2.0	-101.68	299.81	2.06	-99.62
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1O	REAL300000419860	0	33	-2.0	-105.14	316.94	1.55	-103.59
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419861	0	29	-2.0	-92.89	302.27	2.39	-90.50
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000419862	0	35	-2.0	-106.91	328.61	4.12	-102.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CS1	REAL300000419863	0	26	-2.0	-97.71	284.81	1.75	-95.96
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC(C(=O)[O-])=C1OC	REAL300000419864	0	37	-2.0	-103.86	351.47	2.52	-101.34
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000419865	0	33	-2.0	-109.26	320.45	2.78	-106.48
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419866	0	39	-2.0	-108.14	348.39	5.34	-102.80
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1O	REAL300000419867	0	38	-2.0	-106.46	347.06	4.71	-101.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1O	REAL300000419868	0	35	-2.0	-102.84	323.28	4.43	-98.41
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1O	REAL300000419869	0	36	-2.0	-107.27	343.59	3.28	-103.99
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419870	0	31	-3.0	-176.85	321.56	3.28	-173.57
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2O)=C1	REAL300000419870	1	32	-2.0	-104.34	321.57	3.23	-101.11
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419871	0	36	-2.0	-106.61	337.41	4.61	-102.00
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C(C(=O)[O-])O1	REAL300000419872	0	29	-2.0	-96.03	296.17	1.85	-94.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC2=C1OCCO2	REAL300000419873	0	35	-2.0	-106.58	335.34	2.49	-104.09
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419874	0	33	-2.0	-102.54	322.08	1.79	-100.75
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3O)C=C2C1	REAL300000419875	0	37	-2.0	-89.88	346.08	3.31	-86.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC(Cl)=C1Cl	REAL300000419876	0	29	-2.0	-93.04	320.83	3.56	-89.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C(Cl)C=C1F	REAL300000419877	0	29	-2.0	-95.69	310.75	3.31	-92.38
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1Cl	REAL300000419878	0	33	-2.0	-87.43	340.27	3.53	-83.90
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC=C1OCC(=O)[O-]	REAL300000419879	0	36	-2.0	-89.36	344.32	3.69	-85.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1O	REAL300000419880	0	32	-2.0	-95.07	313.87	3.52	-91.55
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC=C1OCCCC(=O)[O-]	REAL300000419881	0	42	-2.0	-89.46	386.77	4.62	-84.84
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1F	REAL300000419882	0	33	-2.0	-88.45	330.46	3.05	-85.40
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000419883	0	36	-2.0	-108.06	342.31	3.68	-104.38
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C(C(=O)[O-])S1	REAL300000419884	0	29	-2.0	-100.77	302.85	2.59	-98.18
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419885	0	29	-2.0	-92.57	321.39	3.73	-88.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C(Cl)=C1	REAL300000419886	0	29	-2.0	-88.05	306.21	3.28	-84.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1F	REAL300000419887	0	29	-2.0	-89.97	297.70	2.74	-87.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)S1	REAL300000419888	0	26	-2.0	-91.80	285.42	1.83	-89.97
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419889	0	29	-2.0	-93.01	299.58	2.77	-90.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1F	REAL300000419890	0	32	-2.0	-100.59	318.91	3.41	-97.18
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000419891	0	33	-2.0	-92.70	333.46	3.34	-89.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C(F)=C1	REAL300000419892	0	29	-2.0	-89.96	298.62	2.78	-87.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1Cl	REAL300000419893	0	29	-2.0	-87.96	305.67	3.12	-84.84
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1O	REAL300000419894	0	32	-2.0	-96.70	322.60	3.91	-92.79
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1	REAL300000419895	0	37	-2.0	-87.05	356.91	4.12	-82.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC(F)=C1F	REAL300000419896	0	29	-2.0	-92.68	303.98	2.81	-89.87
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419897	0	31	-2.0	-87.43	321.35	3.38	-84.05
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419898	0	30	-2.0	-103.23	302.87	0.42	-102.81
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1	REAL300000419899	0	32	-2.0	-93.87	315.34	3.49	-90.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC(Cl)=C1F	REAL300000419900	0	29	-2.0	-94.14	313.87	3.24	-90.90
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1O	REAL300000419901	0	32	-2.0	-97.94	303.20	3.35	-94.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC(C(=O)[O-])=C1F	REAL300000419902	0	32	-2.0	-100.66	317.99	3.36	-97.30
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1O	REAL300000419903	0	32	-2.0	-91.06	308.57	3.48	-87.58
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC(C(=O)[O-])=C1C	REAL300000419904	0	35	-2.0	-104.53	326.04	3.77	-100.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC=C1[N+](=O)[O-]	REAL300000419905	0	31	-2.0	-100.35	319.74	3.80	-96.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419906	0	29	-2.0	-91.80	304.89	2.84	-88.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C(C)=C1C(=O)[O-]	REAL300000419907	0	35	-2.0	-102.55	326.69	4.12	-98.43
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000419908	0	32	-2.0	-102.40	318.48	3.40	-99.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1Cl	REAL300000419909	0	32	-2.0	-99.32	324.94	3.85	-95.47
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419910	0	32	-2.0	-106.09	318.21	3.39	-102.70
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000419911	0	35	-2.0	-103.41	327.13	3.89	-99.52
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1CC(=O)[O-]	REAL300000419912	0	36	-2.0	-105.70	343.64	2.83	-102.87
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1O	REAL300000419913	0	32	-2.0	-91.61	319.42	3.89	-87.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1C(F)(F)F	REAL300000419914	0	32	-2.0	-87.13	323.29	3.52	-83.61
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000419915	0	32	-2.0	-99.34	324.38	3.67	-95.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000419916	0	33	-2.0	-102.94	321.18	2.92	-100.02
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C(C)=C1CC(=O)[O-]	REAL300000419917	0	41	-2.0	-101.85	358.31	5.58	-96.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C(F)C(Cl)=C1F	REAL300000419918	0	29	-2.0	-90.76	318.77	3.27	-87.49
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000419919	0	32	-2.0	-96.66	323.02	3.68	-92.98
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C(C(=O)[O-])S1	REAL300000419920	0	38	-2.0	-100.85	342.60	4.84	-96.01
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000419921	0	33	-2.0	-103.08	333.48	3.35	-99.73
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC=C1C(=O)[O-]	REAL300000419922	0	32	-2.0	-92.27	313.23	3.35	-88.92
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C([N+](=O)[O-])=C1	REAL300000419923	0	34	-2.0	-93.95	336.41	4.91	-89.04
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1O	REAL300000419924	0	32	-2.0	-100.07	313.11	3.53	-96.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1[N+](=O)[O-]	REAL300000419925	0	31	-2.0	-107.99	316.89	4.55	-103.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1F	REAL300000419926	0	29	-2.0	-105.46	296.82	2.74	-102.72
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000419927	0	32	-2.0	-94.97	314.32	3.29	-91.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=CC2=CC=CC=C21	REAL300000419928	0	35	-2.0	-109.62	334.20	4.83	-104.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C1	REAL300000419929	0	28	-2.0	-99.68	289.37	0.83	-98.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1O	REAL300000419930	0	33	-2.0	-94.50	321.36	2.51	-91.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)=C(Cl)O1	REAL300000419931	0	26	-2.0	-90.36	293.27	1.69	-88.67
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3O)C=C2)CC1	REAL300000419932	0	36	-2.0	-97.48	339.29	4.59	-92.89
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3O)C=C2C1	REAL300000419933	0	36	-2.0	-99.05	337.25	4.57	-94.48
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2O)C=C(C(=O)[O-])O1	REAL300000419934	0	32	-2.0	-97.55	315.28	2.70	-94.85
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1	REAL300000419935	0	41	-2.0	-92.34	366.31	2.80	-89.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CC=C1F	REAL300000419936	0	34	-2.0	-109.07	314.41	4.25	-104.82
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCO2	REAL300000419937	0	42	-2.0	-109.74	369.49	5.31	-104.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1	REAL300000419938	0	34	-2.0	-99.02	309.85	4.22	-94.80
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1	REAL300000419939	0	34	-2.0	-111.74	309.87	4.22	-107.52
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCO2	REAL300000419940	0	38	-2.0	-116.92	338.01	4.02	-112.90
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1	REAL300000419941	0	38	-2.0	-98.42	341.30	5.51	-92.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000419942	0	37	-2.0	-114.34	329.94	4.87	-109.47
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1	REAL300000419943	0	34	-2.0	-106.74	322.94	4.78	-101.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CC=C1Cl	REAL300000419944	0	34	-2.0	-107.52	322.38	4.62	-102.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1C	REAL300000419945	0	40	-2.0	-113.85	342.97	5.53	-108.32
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1	REAL300000419946	0	34	-2.0	-108.80	315.34	4.28	-104.52
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1	REAL300000419947	0	40	-2.0	-97.70	353.42	5.80	-91.90
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1	REAL300000419948	0	31	-2.0	-105.92	303.06	3.24	-102.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCO2	REAL300000419949	0	37	-2.0	-111.97	325.30	4.99	-106.98
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1	REAL300000419950	0	38	-2.0	-97.10	340.92	4.50	-92.60
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000419951	0	35	-2.0	-110.04	316.52	3.56	-106.48
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCO2	REAL300000419952	0	38	-2.0	-112.20	334.07	3.02	-109.18
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1	REAL300000419953	0	34	-2.0	-102.06	318.99	3.90	-98.16
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000419954	0	40	-2.0	-113.30	341.32	5.53	-107.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CS1	REAL300000419955	0	31	-2.0	-107.36	301.51	3.25	-104.11
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CC(C(=O)[O-])=C1OC	REAL300000419956	0	42	-2.0	-112.19	368.17	4.02	-108.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000419957	0	38	-2.0	-117.62	337.15	4.28	-113.34
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1	REAL300000419958	0	44	-2.0	-116.05	365.09	6.84	-109.21
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCO2	REAL300000419959	0	43	-2.0	-114.21	363.77	6.22	-107.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCO2	REAL300000419960	0	40	-2.0	-109.75	339.99	5.93	-103.82
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCO2	REAL300000419961	0	41	-2.0	-117.84	360.30	4.79	-113.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CC(C(=O)[O-])=C1	REAL300000419962	0	36	-3.0	-187.64	338.26	4.78	-182.86
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2OCCO3)=CC(C(=O)[O-])=C1	REAL300000419962	1	37	-2.0	-109.93	338.23	4.72	-105.21
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1	REAL300000419963	0	41	-2.0	-116.53	354.12	6.12	-110.41
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C(C(=O)[O-])O1	REAL300000419964	0	34	-2.0	-105.09	312.88	3.36	-101.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CC2=C1OCCO2	REAL300000419965	0	40	-2.0	-116.61	352.02	3.99	-112.62
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1	REAL300000419966	0	38	-2.0	-113.26	338.79	3.30	-109.96
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OCCO4)C=C2C1	REAL300000419967	0	42	-2.0	-97.76	362.78	4.82	-92.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C(Cl)C=C1F	REAL300000419968	0	34	-2.0	-103.27	327.47	4.81	-98.46
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1Cl	REAL300000419969	0	38	-2.0	-95.54	356.97	5.05	-90.49
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CC=C1OCC(=O)[O-]	REAL300000419970	0	41	-2.0	-97.61	361.01	5.20	-92.41
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCO2	REAL300000419971	0	37	-2.0	-102.50	330.57	5.02	-97.48
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1F	REAL300000419972	0	38	-2.0	-96.48	347.17	4.57	-91.91
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000419973	0	41	-2.0	-118.30	359.01	5.19	-113.11
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C(C(=O)[O-])S1	REAL300000419974	0	34	-2.0	-108.29	319.56	4.10	-104.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C(Cl)=C1	REAL300000419975	0	34	-2.0	-96.39	322.91	4.77	-91.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1F	REAL300000419976	0	34	-2.0	-98.43	314.39	4.26	-94.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)S1	REAL300000419977	0	31	-2.0	-100.72	302.13	3.34	-97.38
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1	REAL300000419978	0	34	-2.0	-102.48	316.27	4.28	-98.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1F	REAL300000419979	0	37	-2.0	-110.27	335.60	4.91	-105.36
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C(Cl)C=C1C(=O)[O-]	REAL300000419980	0	38	-2.0	-101.00	350.18	4.84	-96.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C(F)=C1	REAL300000419981	0	34	-2.0	-98.59	315.32	4.28	-94.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1Cl	REAL300000419982	0	34	-2.0	-96.50	322.36	4.62	-91.88
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCO2	REAL300000419983	0	37	-2.0	-104.21	339.30	5.40	-98.81
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1	REAL300000419984	0	42	-2.0	-95.09	373.59	5.62	-89.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CC(F)=C1F	REAL300000419985	0	34	-2.0	-100.51	320.67	4.31	-96.20
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1	REAL300000419986	0	36	-2.0	-96.59	338.05	4.88	-91.71
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1	REAL300000419987	0	35	-2.0	-110.62	319.59	1.94	-108.68
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1	REAL300000419988	0	37	-2.0	-102.55	332.02	5.00	-97.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CC(Cl)=C1F	REAL300000419989	0	34	-2.0	-102.00	330.56	4.74	-97.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCO2	REAL300000419990	0	37	-2.0	-108.07	319.91	4.84	-103.23
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CC(C(=O)[O-])=C1F	REAL300000419991	0	37	-2.0	-110.44	334.69	4.86	-105.58
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCO2	REAL300000419992	0	37	-2.0	-98.90	325.29	4.97	-93.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CC(C(=O)[O-])=C1C	REAL300000419993	0	40	-2.0	-114.99	342.73	5.28	-109.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CC=C1[N+](=O)[O-]	REAL300000419994	0	36	-2.0	-109.67	336.43	5.31	-104.36
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1	REAL300000419995	0	34	-2.0	-100.45	321.59	4.34	-96.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C(C)=C1C(=O)[O-]	REAL300000419996	0	40	-2.0	-112.19	344.35	5.60	-106.59
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000419997	0	37	-2.0	-110.03	331.35	4.82	-105.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1Cl	REAL300000419998	0	37	-2.0	-108.63	341.64	5.35	-103.28
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1	REAL300000419999	0	37	-2.0	-117.10	334.89	4.90	-112.20
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000420000	0	40	-2.0	-113.70	344.18	5.40	-108.30
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1CC(=O)[O-]	REAL300000420001	0	41	-2.0	-113.07	360.33	4.34	-108.73
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCO2	REAL300000420002	0	37	-2.0	-101.20	336.13	5.39	-95.81
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CC(C(=O)[O-])=C1Cl	REAL300000420003	0	37	-2.0	-109.31	341.08	5.17	-104.14
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000420004	0	38	-2.0	-111.39	337.88	4.43	-106.96
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C(C)=C1CC(=O)[O-]	REAL300000420005	0	46	-2.0	-110.70	374.78	7.07	-103.63
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000420006	0	37	-2.0	-105.06	339.72	5.18	-99.88
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C(C(=O)[O-])S1	REAL300000420007	0	43	-2.0	-107.68	359.31	6.34	-101.34
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000420008	0	38	-2.0	-112.34	350.20	4.85	-107.49
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CC=C1C(=O)[O-]	REAL300000420009	0	37	-2.0	-99.20	325.88	4.77	-94.43
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C([N+](=O)[O-])=C1	REAL300000420010	0	39	-2.0	-103.31	353.11	6.40	-96.91
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCO2	REAL300000420011	0	37	-2.0	-109.16	329.82	5.03	-104.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1[N+](=O)[O-]	REAL300000420012	0	36	-2.0	-119.13	333.59	6.07	-113.06
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1F	REAL300000420013	0	34	-2.0	-116.32	313.51	4.24	-112.08
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000420014	0	37	-2.0	-103.40	331.02	4.79	-98.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=CC2=CC=CC=C21	REAL300000420015	0	40	-2.0	-120.19	350.90	6.33	-113.86
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C1	REAL300000420016	0	33	-2.0	-109.62	306.06	2.33	-107.29
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCO2	REAL300000420017	0	38	-2.0	-103.23	338.06	4.01	-99.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)=C(Cl)O1	REAL300000420018	0	31	-2.0	-99.04	309.98	3.21	-95.83
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OCCO4)C=C2)CC1	REAL300000420019	0	41	-2.0	-105.45	355.98	6.10	-99.35
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OCCO4)C=C2C1	REAL300000420020	0	41	-2.0	-108.81	353.95	6.07	-102.74
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCO3)C=C(C(=O)[O-])O1	REAL300000420021	0	37	-2.0	-104.68	332.00	4.21	-100.47
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCO3)=C1	REAL300000420031	1	31	-2.0	-101.42	313.20	4.29	-97.13
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCO3)=C1	REAL300000420033	1	28	-2.0	-98.76	300.92	3.24	-95.52
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCO3)=C1	REAL300000420038	1	31	-2.0	-95.09	316.84	3.91	-91.18
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=C(C=C2Cl)OCO3)=CC(C(=O)[O-])=C1	REAL300000420045	0	34	-2.0	-106.70	335.54	4.72	-101.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCO3)S1	REAL300000420055	1	28	-2.0	-94.01	299.99	3.35	-90.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCO3)=C1F	REAL300000420057	1	34	-2.0	-102.97	333.49	4.93	-98.04
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(C=C2Cl)OCO3)=C1	REAL300000420061	0	32	-2.0	-104.02	311.84	2.78	-101.24
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCO3)=C1	REAL300000420067	1	31	-2.0	-93.44	319.47	4.35	-89.09
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCO3)=C1	REAL300000420070	1	34	-2.0	-108.48	332.77	4.91	-103.57
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCO3)=C1F	REAL300000420076	1	31	-2.0	-108.08	311.37	4.26	-103.82
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCO3)=C1	REAL300000420078	0	30	-2.0	-101.92	303.94	2.34	-99.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCO3)=C(Cl)O1	REAL300000420080	1	28	-2.0	-92.64	307.83	3.20	-89.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC4=CC=CC=C4N=C3)N=C2)C=C1	REAL300000420084	0	39	-2.0	-97.73	366.06	5.67	-92.06
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=NC4=CC=CC=C4N=C3)N=C2)=C1	REAL300000420085	0	39	-2.0	-109.69	366.08	5.65	-104.04
CN1C=C(S(=O)(=O)[N-]C2=CN(C3=NC4=CC=CC=C4N=C3)N=C2)C=C1C(=O)[O-]	REAL300000420086	0	40	-2.0	-108.31	372.73	5.02	-103.29
CC1=C(S(=O)(=O)[N-]C2=CN(C3=NC4=CC=CC=C4N=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000420087	0	39	-2.0	-103.70	369.08	4.81	-98.89
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3=NC4=CC=CC=C4N=C3)N=C2)=C1	REAL300000420088	0	38	-2.0	-107.14	362.30	3.78	-103.36
CN(C1=CC=CC([N+](=O)[O-])=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000420116	0	36	-2.0	-113.71	346.88	7.76	-105.95
CN(C1=CC=CC([N+](=O)[O-])=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000420139	0	34	-2.0	-105.78	321.25	5.76	-100.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)=CC=C1F	REAL300000420172	0	32	-2.0	-101.19	325.94	5.18	-96.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)C=C1	REAL300000420173	0	32	-2.0	-91.47	321.38	5.15	-86.32
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)=C1	REAL300000420174	0	32	-2.0	-103.43	321.41	5.15	-98.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300000420175	0	35	-2.0	-104.53	337.43	5.68	-98.85
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)=C1	REAL300000420176	0	32	-2.0	-100.69	326.88	5.20	-95.49
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)=C1	REAL300000420177	0	29	-2.0	-97.95	314.60	4.16	-93.79
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1OC(F)F	REAL300000420178	0	35	-2.0	-104.39	336.84	5.93	-98.46
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300000420179	0	33	-2.0	-101.87	328.06	4.49	-97.38
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)=C1	REAL300000420180	0	32	-2.0	-94.17	330.51	4.82	-89.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)=CS1	REAL300000420181	0	29	-2.0	-99.33	313.05	4.18	-95.15
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000420182	0	32	-2.0	-97.66	324.41	4.28	-93.38
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300000420183	0	32	-2.0	-100.98	330.03	5.04	-95.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)C=C1F	REAL300000420184	0	32	-2.0	-91.14	325.92	5.19	-85.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)S1	REAL300000420185	0	29	-2.0	-92.93	313.67	4.27	-88.66
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)=C1	REAL300000420186	0	32	-2.0	-94.54	327.82	5.20	-89.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)C(F)=C1	REAL300000420187	0	32	-2.0	-90.78	326.87	5.22	-85.56
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)=C1	REAL300000420188	0	33	-2.0	-103.27	331.12	2.85	-100.42
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)C=C1	REAL300000420189	0	35	-2.0	-94.94	343.57	5.92	-89.02
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1OC(F)F	REAL300000420190	0	35	-2.0	-99.57	331.44	5.78	-93.79
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1OC(F)F	REAL300000420191	0	35	-2.0	-91.64	336.82	5.92	-85.72
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300000420192	0	36	-2.0	-103.11	349.43	5.36	-97.75
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000420193	0	35	-2.0	-93.09	341.46	5.79	-87.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)=C1F	REAL300000420194	0	32	-2.0	-107.23	325.07	5.17	-102.06
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)=C1	REAL300000420195	0	31	-2.0	-101.09	317.61	3.26	-97.83
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000420196	0	35	-2.0	-97.48	343.52	5.13	-92.35
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000420197	0	36	-2.0	-107.38	342.17	-2.15	-109.53
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000420198	0	29	-2.0	-124.98	290.25	-0.70	-125.68
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(N)=O	REAL300000420199	0	37	-2.0	-124.45	345.32	0.38	-124.07
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000420200	0	29	-2.0	-114.80	285.70	-0.72	-115.52
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000420201	0	29	-2.0	-127.91	285.71	-0.73	-128.64
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(N)=O	REAL300000420202	0	33	-2.0	-132.26	313.84	-0.92	-133.18
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000420203	0	29	-2.0	-123.11	301.97	-0.24	-123.35
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000420204	0	33	-2.0	-113.54	317.16	0.56	-112.98
CC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000420205	0	32	-2.0	-129.18	301.73	-0.20	-129.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=C1C	REAL300000420206	0	35	-2.0	-129.39	318.38	0.62	-128.77
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000420207	0	29	-2.0	-124.56	291.17	-0.67	-125.23
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000420208	0	35	-2.0	-112.84	329.28	0.86	-111.98
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000420209	0	26	-2.0	-122.00	278.90	-1.71	-123.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(N)=O	REAL300000420210	0	32	-2.0	-127.13	301.14	0.05	-127.08
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000420211	0	33	-2.0	-112.33	316.79	-0.45	-112.78
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000420212	0	40	-2.0	-109.21	362.55	0.32	-108.89
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000420213	0	26	-2.0	-117.55	295.89	-0.96	-118.51
CN1C=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000420214	0	30	-2.0	-126.20	292.35	-1.38	-127.58
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(N)=O	REAL300000420215	0	33	-2.0	-127.89	309.50	-1.90	-129.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=C1	REAL300000420216	0	29	-2.0	-118.09	294.82	-1.05	-119.14
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000420217	0	35	-2.0	-128.50	317.17	0.59	-127.91
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000420218	0	26	-2.0	-123.33	277.37	-1.71	-125.04
COC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=CC(C(=O)[O-])=C1OC	REAL300000420219	0	37	-2.0	-128.47	344.03	-0.92	-129.39
COC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000420220	0	33	-2.0	-133.72	312.99	-0.67	-134.39
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000420221	0	39	-2.0	-131.51	340.95	1.89	-129.62
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(N)=O	REAL300000420222	0	38	-2.0	-129.15	339.61	1.28	-127.87
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(N)=O	REAL300000420223	0	35	-2.0	-123.86	313.81	0.97	-122.89
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(N)=O	REAL300000420224	0	36	-2.0	-134.07	336.14	-0.16	-134.23
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000420225	0	31	-3.0	-205.63	314.12	-0.17	-205.80
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000420226	0	36	-2.0	-131.84	329.98	1.15	-130.69
CC1=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000420227	0	29	-2.0	-120.50	288.72	-1.59	-122.09
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000420228	0	35	-2.0	-132.92	327.89	-0.96	-133.88
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=C1	REAL300000420229	0	33	-2.0	-130.15	314.64	-1.63	-131.78
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000420230	0	37	-2.0	-113.78	339.35	-0.11	-113.89
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000420231	0	29	-2.0	-117.15	313.38	0.12	-117.03
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000420232	0	33	-2.0	-110.65	332.81	0.09	-110.56
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=CC=C1OCC(=O)[O-]	REAL300000420233	0	36	-2.0	-112.88	336.87	0.26	-112.62
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000420234	0	39	-2.0	-110.83	365.46	0.52	-110.31
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(N)=O	REAL300000420235	0	32	-2.0	-117.73	306.42	0.08	-117.65
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=CC=C1OCCCC(=O)[O-]	REAL300000420236	0	42	-2.0	-112.49	379.30	1.19	-111.30
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000420237	0	33	-2.0	-111.53	323.01	-0.39	-111.92
CCOC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000420238	0	36	-2.0	-134.39	334.84	0.24	-134.15
CC1=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C(C(=O)[O-])S1	REAL300000420239	0	29	-2.0	-123.58	295.41	-0.85	-124.43
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000420240	0	29	-2.0	-116.07	313.93	0.28	-115.79
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000420241	0	29	-2.0	-111.96	298.77	-0.18	-112.14
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000420242	0	29	-2.0	-111.17	302.11	-0.03	-111.20
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000420243	0	29	-2.0	-114.15	290.25	-0.69	-114.84
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000420244	0	26	-2.0	-116.70	277.97	-1.60	-118.30
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000420245	0	29	-2.0	-118.50	292.12	-0.67	-119.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=C1F	REAL300000420246	0	32	-2.0	-125.93	311.47	-0.03	-125.96
COC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=C(Cl)C=C1C(=O)[O-]	REAL300000420247	0	33	-2.0	-116.58	326.01	-0.12	-116.70
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000420248	0	29	-2.0	-114.53	291.18	-0.66	-115.19
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000420249	0	29	-2.0	-112.31	298.22	-0.33	-112.64
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(N)=O	REAL300000420250	0	32	-2.0	-119.40	315.16	0.47	-118.93
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000420251	0	37	-2.0	-110.01	349.44	0.68	-109.33
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000420252	0	29	-2.0	-111.91	301.95	-0.23	-112.14
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000420253	0	31	-2.0	-112.42	313.90	-0.06	-112.48
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000420254	0	30	-2.0	-125.16	295.43	-3.03	-128.19
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000420255	0	32	-2.0	-117.85	307.88	0.05	-117.80
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000420256	0	29	-2.0	-117.91	306.42	-0.20	-118.11
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NNC=C1C(N)=O	REAL300000420257	0	32	-2.0	-124.73	295.78	-0.09	-124.82
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=CC(C(=O)[O-])=C1F	REAL300000420258	0	32	-2.0	-126.48	310.55	-0.08	-126.56
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC=C1C(N)=O	REAL300000420259	0	32	-2.0	-114.37	301.12	0.04	-114.33
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=CC(C(=O)[O-])=C1C	REAL300000420260	0	35	-2.0	-132.75	322.51	0.44	-132.31
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000420261	0	31	-2.0	-125.30	312.27	0.36	-124.94
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000420262	0	29	-2.0	-116.26	297.47	-0.61	-116.87
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000420263	0	26	-2.0	-114.42	298.29	-1.05	-115.47
CC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C(C)=C1C(=O)[O-]	REAL300000420264	0	35	-2.0	-129.31	319.10	0.68	-128.63
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000420265	0	32	-2.0	-126.74	311.03	-0.04	-126.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=C1Cl	REAL300000420266	0	32	-2.0	-124.00	317.47	0.39	-123.61
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=C1	REAL300000420267	0	32	-2.0	-133.99	310.75	-0.04	-134.03
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000420268	0	35	-2.0	-129.99	319.65	0.45	-129.54
COC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C1CC(=O)[O-]	REAL300000420269	0	36	-2.0	-128.48	336.18	-0.60	-129.08
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NNC=C1C(N)=O	REAL300000420270	0	32	-2.0	-117.53	311.97	0.45	-117.08
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000420271	0	32	-2.0	-111.04	315.83	0.08	-110.96
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=CC(C(=O)[O-])=C1Cl	REAL300000420272	0	32	-2.0	-125.43	316.93	0.23	-125.20
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000420273	0	29	-2.0	-120.54	307.00	-0.12	-120.66
CCN1C=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000420274	0	33	-2.0	-127.57	313.74	-0.51	-128.08
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C(C)=C1CC(=O)[O-]	REAL300000420275	0	41	-2.0	-129.67	350.86	2.15	-127.52
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000420276	0	29	-2.0	-114.61	311.32	-0.18	-114.79
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000420277	0	33	-2.0	-113.72	330.41	-0.43	-114.15
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000420278	0	32	-2.0	-121.12	315.58	0.23	-120.89
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000420279	0	33	-2.0	-127.51	326.04	-0.11	-127.62
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=CC=C1C(=O)[O-]	REAL300000420280	0	32	-2.0	-115.01	301.72	-0.19	-115.20
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000420281	0	34	-2.0	-118.38	328.98	1.46	-116.92
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(N)=O	REAL300000420282	0	32	-2.0	-124.47	305.25	0.11	-124.36
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000420283	0	31	-2.0	-135.43	309.44	1.13	-134.30
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000420284	0	29	-2.0	-133.17	289.37	-0.70	-133.87
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C1C(=O)[O-]	REAL300000420285	0	32	-2.0	-119.44	306.87	-0.16	-119.60
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000420286	0	35	-2.0	-136.68	326.75	1.40	-135.28
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000420287	0	28	-2.0	-125.95	281.94	-2.62	-128.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC=C1C(N)=O	REAL300000420288	0	33	-2.0	-119.02	313.92	-0.92	-119.94
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000420289	0	26	-2.0	-114.73	285.82	-1.77	-116.50
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000420290	0	33	-2.0	-122.75	329.49	-0.18	-122.93
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)=C1	REAL300000420291	0	32	-2.0	-119.26	329.05	-3.69	-122.95
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000420292	0	36	-2.0	-120.73	331.84	1.16	-119.57
NC(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000420293	0	36	-2.0	-126.89	331.15	1.16	-125.73
CCC1=C(S(=O)(=O)[N-]C2=NNC=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000420294	0	32	-2.0	-119.37	307.84	-0.74	-120.11
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420295	1	37	-2.0	-127.16	333.39	6.66	-120.50
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300000420296	1	40	-2.0	-131.95	372.19	3.07	-128.88
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420297	1	34	-2.0	-130.06	317.96	5.88	-124.18
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000420300	0	28	-2.0	-134.34	271.67	5.50	-128.84
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000420301	0	31	-2.0	-101.61	294.99	4.87	-96.74
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000420302	0	27	-2.0	-115.77	275.02	3.85	-111.92
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420303	1	29	-2.0	-121.62	284.00	5.61	-116.01
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420304	1	29	-2.0	-116.81	283.98	5.61	-111.20
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000420305	0	28	-2.0	-123.36	285.40	5.81	-117.55
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300000420306	0	31	-2.0	-119.43	304.47	7.09	-112.34
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420307	0	29	-2.0	-133.78	281.27	5.51	-128.27
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1Br	REAL300000420308	1	31	-2.0	-120.87	302.66	6.41	-114.46
CC1=CC=CC(OC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300000420309	1	42	-2.0	-123.69	373.27	8.74	-114.95
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Br	REAL300000420310	0	28	-2.0	-124.85	279.66	5.92	-118.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1NC(C)=O	REAL300000420311	1	39	-2.0	-143.58	346.95	3.54	-140.04
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300000420312	1	32	-2.0	-117.94	309.15	5.02	-112.92
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420313	0	38	-2.0	-94.92	346.44	4.31	-90.61
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420313	1	37	-3.0	-178.15	348.09	4.37	-173.78
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000420314	0	31	-2.0	-118.42	294.47	5.75	-112.67
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000420314	1	30	-3.0	-199.14	296.16	5.81	-193.33
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300000420316	0	32	-2.0	-121.84	312.48	7.31	-114.53
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000420317	1	37	-2.0	-127.42	325.99	5.17	-122.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000420318	1	33	-2.0	-124.28	310.06	6.53	-117.75
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420319	0	38	-3.0	-195.49	351.25	6.87	-188.62
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000420319	1	39	-2.0	-105.53	348.55	6.36	-99.17
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)S1	REAL300000420320	0	25	-2.0	-118.22	276.79	4.95	-113.27
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300000420321	0	34	-2.0	-122.27	322.89	7.73	-114.54
COC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420322	0	32	-2.0	-127.92	312.72	5.64	-122.28
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300000420324	1	44	-2.0	-126.35	365.03	9.03	-117.32
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000420325	1	31	-2.0	-117.34	301.90	6.22	-111.12
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000420326	1	38	-2.0	-129.97	325.88	7.71	-122.26
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420327	0	31	-2.0	-102.10	289.94	5.73	-96.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420327	1	30	-3.0	-187.20	291.61	5.79	-181.41
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420328	0	36	-2.0	-134.27	320.91	4.30	-129.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300000420329	1	36	-2.0	-125.15	321.89	4.43	-120.72
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000420330	1	35	-2.0	-129.95	308.70	7.13	-122.82
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000420331	1	28	-2.0	-116.40	295.08	6.20	-110.20
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=C1	REAL300000420332	0	31	-2.0	-118.95	289.83	5.71	-113.24
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420332	1	30	-3.0	-203.41	291.63	5.78	-197.63
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000420333	1	28	-2.0	-115.15	275.87	5.34	-109.81
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000420334	0	28	-2.0	-120.51	293.03	6.31	-114.20
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000420335	1	31	-2.0	-121.86	302.25	6.24	-115.62
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000420337	0	31	-2.0	-127.78	287.63	6.58	-121.20
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300000420338	1	31	-2.0	-115.35	315.06	6.64	-108.71
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000420339	1	28	-2.0	-122.74	279.90	5.74	-117.00
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300000420340	0	31	-2.0	-119.08	315.36	6.81	-112.27
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420341	1	33	-2.0	-124.96	305.92	5.71	-119.25
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420342	1	34	-2.0	-126.78	300.07	6.66	-120.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C	REAL300000420343	1	34	-2.0	-129.33	301.59	6.43	-122.90
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000420344	1	28	-2.0	-115.44	285.76	5.79	-109.65
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420345	1	33	-2.0	-136.82	303.66	5.61	-131.21
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420347	0	34	-2.0	-138.99	308.41	6.60	-132.39
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420348	1	37	-2.0	-120.34	339.79	6.81	-113.53
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000420349	0	28	-2.0	-123.63	291.49	6.24	-117.39
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000420350	1	34	-2.0	-122.83	318.69	5.97	-116.86
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420351	1	40	-2.0	-127.20	339.37	7.55	-119.65
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420352	1	37	-2.0	-126.97	323.39	7.15	-119.82
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420353	1	40	-2.0	-126.97	341.84	7.81	-119.16
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420354	1	39	-2.0	-127.00	357.91	3.26	-123.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420355	0	34	-3.0	-204.82	319.78	5.58	-199.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000420355	1	35	-2.0	-105.62	317.07	5.08	-100.54
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420356	0	35	-2.0	-100.27	321.41	7.01	-93.26
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420356	1	34	-3.0	-184.59	323.08	7.08	-177.51
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300000420357	0	28	-2.0	-126.00	286.77	6.54	-119.46
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000420358	0	25	-2.0	-118.05	272.15	4.84	-113.21
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420359	1	37	-2.0	-126.43	327.56	7.44	-118.99
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420360	0	32	-2.0	-133.19	291.43	5.01	-128.18
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300000420361	0	28	-2.0	-118.30	297.59	6.40	-111.90
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Br	REAL300000420362	1	32	-2.0	-122.44	313.07	5.19	-117.25
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420363	0	34	-2.0	-100.10	305.86	6.24	-93.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420363	1	33	-3.0	-205.63	307.66	6.32	-199.31
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420364	0	39	-2.0	-135.15	347.50	3.90	-131.25
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000420365	0	28	-2.0	-121.59	281.23	5.41	-116.18
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000420366	1	28	-2.0	-117.04	296.63	6.25	-110.79
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000420367	0	28	-2.0	-126.39	276.30	5.79	-120.60
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420368	1	40	-2.0	-128.46	372.68	6.52	-121.94
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1	REAL300000420369	1	28	-2.0	-122.73	284.46	5.85	-116.88
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420370	0	40	-2.0	-139.11	364.86	7.24	-131.87
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000420371	0	30	-2.0	-122.47	291.39	5.89	-116.58
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420372	1	33	-2.0	-118.92	306.88	6.66	-112.26
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300000420373	1	30	-2.0	-115.82	303.84	6.27	-109.55
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000420375	0	30	-2.0	-139.10	281.72	6.61	-132.49
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420376	0	30	-3.0	-193.47	304.70	6.35	-187.12
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=C1	REAL300000420376	1	31	-2.0	-98.38	301.85	5.91	-92.47
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000420377	0	31	-2.0	-115.68	302.46	6.11	-109.57
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000420377	1	30	-3.0	-198.45	304.14	6.17	-192.28
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000420379	0	28	-2.0	-122.40	275.08	5.35	-117.05
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000420380	0	28	-2.0	-116.18	275.99	5.36	-110.82
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C(C(=O)[O-])=C1	REAL300000420381	0	30	-3.0	-188.55	317.20	6.74	-181.81
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=C(Cl)C=C(Cl)C(C(=O)[O-])=C1	REAL300000420381	1	31	-2.0	-94.78	314.38	6.29	-88.49
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1C	REAL300000420382	1	40	-2.0	-128.47	327.25	7.97	-120.50
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000420383	1	34	-2.0	-127.46	307.66	4.38	-123.08
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420385	1	43	-2.0	-128.38	354.87	8.32	-120.06
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000420386	1	28	-2.0	-119.29	279.90	5.74	-113.55
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1	REAL300000420387	1	28	-2.0	-119.23	284.46	5.85	-113.38
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000420388	0	30	-2.0	-112.85	291.39	5.89	-106.96
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420389	1	35	-2.0	-131.61	319.51	4.11	-127.50
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420390	1	44	-2.0	-130.13	378.30	6.16	-123.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=C1C	REAL300000420391	0	37	-2.0	-98.16	320.72	7.02	-91.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1C	REAL300000420391	1	36	-3.0	-200.66	324.73	7.12	-193.54
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420392	0	32	-2.0	-125.44	308.16	5.53	-119.91
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420393	1	31	-2.0	-120.80	299.95	6.62	-114.18
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300000420394	0	30	-2.0	-128.65	300.97	7.16	-121.49
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420395	0	30	-3.0	-197.25	297.11	5.84	-191.41
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300000420396	0	25	-2.0	-115.37	286.01	5.38	-109.99
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420397	1	43	-2.0	-126.11	366.62	8.73	-117.38
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420398	1	33	-2.0	-122.35	301.41	6.50	-115.85
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000420399	0	28	-2.0	-125.16	275.08	5.35	-119.81
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420400	0	37	-2.0	-99.37	333.61	7.30	-92.07
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420400	1	36	-3.0	-183.63	335.20	7.36	-176.27
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420401	1	38	-2.0	-131.11	339.82	4.93	-126.18
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000420402	1	32	-2.0	-120.26	298.91	2.04	-118.22
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420404	1	32	-2.0	-124.57	303.36	6.24	-118.33
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000420405	1	33	-2.0	-121.91	305.19	3.67	-118.24
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000420406	1	36	-2.0	-123.05	322.98	4.41	-118.64
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1OCC	REAL300000420407	1	42	-2.0	-125.75	365.60	6.27	-119.48
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420409	0	27	-3.0	-196.04	284.82	4.81	-191.23
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000420410	1	31	-2.0	-119.68	294.92	2.73	-116.95
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000420411	0	34	-2.0	-97.41	304.30	6.53	-90.88
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420411	1	33	-3.0	-198.32	307.07	6.57	-191.75
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420412	0	34	-2.0	-124.52	300.78	4.30	-120.22
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420413	1	36	-2.0	-132.74	339.78	1.39	-131.35
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1C	REAL300000420414	1	36	-2.0	-119.17	324.60	7.22	-111.95
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2CC1C	REAL300000420415	1	42	-2.0	-124.23	357.82	6.79	-117.44
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420416	1	34	-2.0	-120.80	317.93	5.89	-114.91
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420417	1	35	-2.0	-125.17	319.60	3.50	-121.67
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420418	1	33	-2.0	-127.82	317.40	0.18	-127.64
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300000420419	1	32	-2.0	-122.10	318.44	5.35	-116.75
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300000420420	1	39	-2.0	-134.09	340.96	6.34	-127.75
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000420421	1	42	-2.0	-138.56	354.74	6.79	-131.77
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420422	0	37	-2.0	-139.70	335.33	6.90	-132.80
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420423	1	32	-2.0	-124.87	297.67	2.00	-122.87
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000420424	1	39	-2.0	-136.29	342.43	6.28	-130.01
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420425	1	34	-2.0	-126.88	306.06	6.66	-120.22
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000420426	1	34	-2.0	-131.16	309.11	7.50	-123.66
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=CS1	REAL300000420427	0	31	-2.0	-135.46	302.75	5.53	-129.93
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420428	1	38	-2.0	-125.43	339.73	5.73	-119.70
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420430	0	35	-2.0	-100.11	321.09	6.00	-94.11
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300000420432	1	39	-2.0	-129.73	347.40	9.34	-120.39
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420433	1	40	-2.0	-126.69	344.32	7.91	-118.78
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C2NC(=O)CC2=C1	REAL300000420435	0	33	-2.0	-120.69	318.29	4.23	-116.46
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000420436	1	33	-2.0	-121.47	305.55	5.73	-115.74
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420437	0	34	-2.0	-139.98	316.05	3.81	-136.17
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=C2N=C1	REAL300000420438	0	36	-2.0	-144.74	324.51	6.49	-138.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(Cl)=C1	REAL300000420440	0	31	-2.0	-126.39	297.71	6.45	-119.94
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300000420441	0	32	-2.0	-128.63	307.92	5.50	-123.13
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300000420442	1	34	-2.0	-122.45	313.91	2.46	-119.99
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420443	1	33	-2.0	-131.39	317.41	0.18	-131.21
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000420444	1	36	-2.0	-122.42	326.00	5.65	-116.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000420445	0	34	-2.0	-134.54	313.71	5.94	-128.60
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300000420446	1	34	-2.0	-119.27	319.72	2.22	-117.05
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2C1=O	REAL300000420447	1	35	-2.0	-119.31	329.01	4.48	-114.83
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000420448	1	33	-2.0	-118.40	310.87	6.72	-111.68
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000420449	1	34	-2.0	-121.56	317.31	5.18	-116.38
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300000420450	1	32	-2.0	-120.39	309.16	5.02	-115.37
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420451	1	34	-2.0	-133.15	323.87	2.75	-130.40
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420453	1	36	-2.0	-127.40	339.78	1.39	-126.01
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300000420454	1	38	-2.0	-128.78	329.79	8.96	-119.82
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000420455	0	28	-2.0	-117.55	282.70	5.85	-111.70
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300000420456	0	40	-2.0	-132.99	349.10	4.56	-128.43
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300000420457	0	35	-2.0	-141.54	324.73	4.19	-137.35
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420458	1	34	-2.0	-136.98	323.87	2.75	-134.23
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300000420459	1	37	-2.0	-128.90	337.37	7.92	-120.98
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420460	1	39	-2.0	-132.73	358.67	3.22	-129.51
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300000420462	0	36	-2.0	-127.24	327.38	4.49	-122.75
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300000420463	1	39	-2.0	-123.76	336.92	5.22	-118.54
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420464	0	31	-3.0	-201.08	298.28	5.13	-195.95
CN1C=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420464	1	32	-2.0	-116.30	298.15	5.12	-111.18
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300000420465	0	28	-2.0	-133.27	280.64	4.79	-128.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(Br)=C1	REAL300000420466	0	31	-2.0	-124.85	301.07	6.59	-118.26
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300000420467	1	40	-2.0	-126.58	372.18	3.07	-123.51
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(N)=O	REAL300000420468	0	33	-2.0	-123.03	305.12	1.39	-121.64
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000420469	0	35	-2.0	-104.22	311.85	4.19	-100.03
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420470	0	34	-2.0	-126.02	331.03	6.44	-119.58
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420472	0	34	-2.0	-128.40	337.01	3.31	-125.09
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000420473	1	32	-2.0	-122.21	308.68	5.08	-117.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000420474	1	32	-2.0	-122.00	298.88	4.60	-117.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(N)=O	REAL300000420477	1	35	-2.0	-120.08	313.76	2.67	-117.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(N)=O	REAL300000420478	1	36	-2.0	-121.77	324.98	2.60	-119.17
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300000420479	1	44	-2.0	-133.45	372.33	8.43	-125.02
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300000420480	1	43	-2.0	-121.44	369.28	4.73	-116.71
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420481	0	33	-2.0	-111.97	306.88	6.67	-105.30
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CN1C	REAL300000420483	0	36	-2.0	-124.08	327.05	2.88	-121.20
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420484	1	31	-2.0	-120.73	295.39	6.51	-114.22
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=N2)C=C1	REAL300000420486	0	38	-2.0	-124.89	345.14	7.02	-117.87
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300000420488	1	39	-2.0	-124.65	338.66	5.35	-119.30
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C3=C2C1=CC=C3	REAL300000420490	1	36	-2.0	-125.10	326.71	5.08	-120.02
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420491	0	30	-3.0	-191.32	300.74	5.47	-185.85
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000420492	1	29	-2.0	-113.36	299.38	6.03	-107.33
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1Cl	REAL300000420493	1	29	-2.0	-114.23	299.40	6.03	-108.20
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420494	0	37	-2.0	-99.04	323.04	7.13	-91.91
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000420495	1	32	-2.0	-130.56	301.53	5.59	-124.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=CC=CN=C12	REAL300000420496	1	37	-2.0	-129.05	328.47	5.01	-124.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000420497	1	31	-2.0	-123.59	298.63	6.34	-117.25
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000420498	0	28	-2.0	-128.81	284.83	5.79	-123.02
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300000420499	0	28	-2.0	-116.09	286.05	5.99	-110.10
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420501	0	34	-2.0	-118.90	319.64	5.68	-113.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300000420502	1	38	-2.0	-133.47	332.53	6.88	-126.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000420503	1	31	-2.0	-123.47	289.89	5.93	-117.54
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420504	1	31	-2.0	-118.32	295.39	6.51	-111.81
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300000420505	0	28	-2.0	-117.46	303.52	7.04	-110.42
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420506	0	31	-2.0	-132.26	290.08	5.95	-126.31
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420507	1	31	-2.0	-120.68	285.06	6.06	-114.62
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCCl)C=C1	REAL300000420508	1	34	-2.0	-124.90	323.21	7.29	-117.61
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420509	0	33	-2.0	-140.38	296.79	7.48	-132.90
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300000420510	0	36	-2.0	-127.72	328.45	4.47	-123.25
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C(F)(F)F)=C1	REAL300000420511	0	32	-2.0	-117.73	308.42	6.97	-110.76
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420513	1	38	-2.0	-139.04	335.31	5.08	-133.96
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420515	0	36	-2.0	-144.65	324.45	6.50	-138.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CS1	REAL300000420518	0	27	-3.0	-197.89	283.28	4.82	-193.07
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=CS1	REAL300000420518	1	28	-2.0	-114.43	282.84	4.80	-109.63
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300000420519	0	31	-2.0	-127.01	305.50	7.12	-119.89
COC1=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000420520	0	39	-2.0	-120.87	348.24	5.53	-115.34
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000420520	1	38	-3.0	-204.82	349.96	5.59	-199.23
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420521	1	37	-2.0	-134.48	339.36	3.52	-130.96
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300000420522	0	30	-2.0	-112.15	304.52	6.46	-105.69
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420523	0	35	-2.0	-125.46	317.20	5.78	-119.68
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300000420524	1	36	-2.0	-128.44	313.27	6.60	-121.84
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300000420526	0	25	-2.0	-120.49	275.48	4.78	-115.71
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1O	REAL300000420527	1	35	-2.0	-122.68	326.77	3.91	-118.77
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420528	1	41	-2.0	-133.88	366.87	5.01	-128.87
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000420529	0	30	-2.0	-130.55	290.65	6.71	-123.84
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300000420530	0	27	-2.0	-116.53	292.78	4.53	-112.00
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420531	0	42	-2.0	-133.04	373.61	4.03	-129.01
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=C1	REAL300000420532	0	41	-2.0	-104.29	343.44	7.97	-96.32
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420532	1	40	-3.0	-204.87	346.87	8.41	-196.46
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000420533	0	40	-2.0	-103.80	342.75	7.37	-96.43
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420533	1	39	-3.0	-201.10	344.77	7.77	-193.33
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300000420534	1	38	-2.0	-127.89	337.35	8.64	-119.25
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000420535	0	30	-2.0	-135.52	296.56	6.60	-128.92
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420536	0	37	-2.0	-134.98	343.20	3.73	-131.25
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420537	1	39	-2.0	-136.35	353.92	4.89	-131.46
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300000420540	1	39	-2.0	-137.00	351.23	5.20	-131.80
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420541	0	32	-2.0	-125.63	294.36	3.59	-122.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000420542	0	37	-2.0	-102.49	318.42	6.87	-95.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420542	1	36	-3.0	-192.31	317.22	7.31	-185.00
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000420543	0	31	-2.0	-130.97	302.69	6.12	-124.85
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-])=C2	REAL300000420544	1	41	-2.0	-135.35	362.98	9.06	-126.29
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420545	0	37	-3.0	-212.64	342.06	6.35	-206.29
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000420545	1	38	-2.0	-127.82	339.38	6.29	-121.53
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000420546	0	33	-3.0	-180.00	318.33	6.27	-173.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000420546	1	32	-4.0	-295.78	320.04	6.35	-289.43
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000420547	0	31	-2.0	-118.63	311.04	4.98	-113.65
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=C1	REAL300000420548	0	38	-2.0	-104.67	332.99	7.24	-97.43
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420548	1	37	-3.0	-204.90	335.88	7.68	-197.22
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1F	REAL300000420549	1	34	-2.0	-131.37	328.25	2.77	-128.60
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C	REAL300000420550	0	36	-2.0	-139.26	322.69	7.84	-131.42
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000420551	0	32	-2.0	-116.89	300.97	5.59	-111.30
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000420552	0	28	-2.0	-123.10	278.09	5.57	-117.53
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000420553	0	38	-2.0	-132.27	359.28	4.15	-128.12
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000420554	0	38	-2.0	-123.22	356.38	4.20	-119.02
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000420555	0	30	-3.0	-190.52	294.64	4.93	-185.59
CC1=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000420555	1	31	-2.0	-98.08	292.33	4.46	-93.62
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000420556	0	31	-2.0	-147.82	291.37	4.42	-143.40
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420557	0	34	-2.0	-130.66	323.43	5.93	-124.73
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420558	0	38	-2.0	-135.72	334.69	6.60	-129.12
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000420559	1	31	-2.0	-114.46	307.49	6.28	-108.18
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420560	1	44	-2.0	-126.12	374.13	6.96	-119.16
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300000420562	0	30	-2.0	-137.89	296.89	7.38	-130.51
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000420563	1	33	-2.0	-135.94	311.50	5.39	-130.55
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300000420564	1	41	-2.0	-133.01	354.39	7.81	-125.20
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000420565	0	37	-2.0	-122.35	332.08	5.49	-116.86
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000420565	1	36	-3.0	-209.80	333.80	5.55	-204.25
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300000420566	1	32	-2.0	-119.41	319.54	6.69	-112.72
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=CC(Br)=C1	REAL300000420567	0	27	-2.0	-116.60	279.49	4.03	-112.57
CS(=O)(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300000420570	0	36	-2.0	-129.31	345.90	1.91	-127.40
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420571	0	34	-2.0	-133.11	329.37	2.81	-130.30
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000420572	0	30	-2.0	-142.33	289.19	6.85	-135.48
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420573	0	34	-3.0	-206.85	320.62	4.87	-201.98
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=C1	REAL300000420573	1	35	-2.0	-110.26	317.88	4.40	-105.86
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000420574	0	39	-2.0	-104.64	342.95	6.33	-98.31
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000420575	0	35	-2.0	-125.46	323.73	6.34	-119.12
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300000420576	0	38	-2.0	-123.56	349.14	6.79	-116.77
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000420578	0	31	-2.0	-108.33	317.62	6.56	-101.77
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000420578	1	30	-3.0	-191.63	319.30	6.63	-185.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(Cl)C=C1F	REAL300000420579	0	30	-3.0	-188.58	309.22	6.37	-182.21
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=C(Cl)C=C1F	REAL300000420579	1	31	-2.0	-96.56	306.36	5.94	-90.62
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000420580	0	35	-2.0	-98.26	337.09	6.53	-91.73
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000420580	1	34	-3.0	-181.50	338.73	6.61	-174.89
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300000420581	0	28	-2.0	-125.45	289.97	5.91	-119.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(F)(F)F	REAL300000420582	1	34	-2.0	-122.88	317.59	6.75	-116.13
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000420583	1	38	-2.0	-122.47	343.42	6.14	-116.33
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420585	0	31	-2.0	-124.40	311.22	4.89	-119.51
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420586	1	36	-2.0	-113.68	317.09	7.42	-106.26
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300000420587	1	33	-2.0	-128.01	299.33	5.65	-122.36
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300000420588	0	34	-2.0	-132.32	336.41	5.93	-126.39
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000420589	0	27	-2.0	-117.07	288.32	4.36	-112.71
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300000420590	0	38	-2.0	-101.26	341.12	6.72	-94.54
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C12	REAL300000420592	1	36	-2.0	-120.81	329.48	4.95	-115.86
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C12	REAL300000420593	0	32	-2.0	-115.17	302.92	2.20	-112.97
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000420594	0	41	-2.0	-98.74	369.72	6.97	-91.77
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000420594	1	40	-3.0	-180.25	371.37	7.03	-173.22
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=N1	REAL300000420595	0	28	-2.0	-112.97	279.12	3.75	-109.22
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300000420596	1	37	-2.0	-127.57	344.71	8.07	-119.50
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000420597	0	28	-2.0	-130.12	274.94	5.35	-124.77
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300000420598	0	32	-2.0	-129.31	301.15	4.81	-124.50
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420600	0	34	-2.0	-132.40	325.12	7.13	-125.27
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300000420601	0	30	-2.0	-130.73	300.99	7.16	-123.57
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000420602	0	34	-2.0	-92.92	309.69	6.56	-86.36
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420602	1	33	-3.0	-188.72	312.34	6.61	-182.11
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300000420603	0	44	-2.0	-100.73	383.57	7.65	-93.08
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(C(=O)OC)S1	REAL300000420604	0	37	-2.0	-131.68	359.24	6.35	-125.33
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000420605	0	34	-2.0	-132.82	306.30	4.87	-127.95
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300000420606	0	37	-2.0	-130.84	342.21	6.45	-124.39
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000420607	0	35	-2.0	-99.36	327.28	6.07	-93.29
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000420607	1	34	-3.0	-182.14	328.93	6.13	-176.01
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000420608	0	32	-2.0	-128.20	301.19	5.27	-122.93
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420609	1	37	-2.0	-129.55	339.83	6.80	-122.75
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420610	1	40	-2.0	-120.08	361.29	7.60	-112.48
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300000420611	0	28	-2.0	-120.48	297.60	6.41	-114.07
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CN=C21	REAL300000420612	0	36	-2.0	-116.17	332.85	2.64	-113.53
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420613	1	35	-2.0	-128.64	318.23	4.94	-123.70
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420614	0	34	-2.0	-132.22	314.80	6.68	-125.54
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300000420615	0	36	-2.0	-134.57	328.71	5.79	-128.78
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300000420616	0	31	-2.0	-123.83	307.73	6.29	-117.54
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300000420617	0	28	-2.0	-117.24	295.65	5.95	-111.29
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300000420618	0	31	-2.0	-118.51	294.13	6.64	-111.87
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300000420619	0	28	-2.0	-126.19	295.25	5.32	-120.87
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420620	0	38	-2.0	-106.38	339.06	6.69	-99.69
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000420621	1	33	-2.0	-125.60	299.15	4.52	-121.08
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1F	REAL300000420622	1	37	-2.0	-117.80	344.36	6.83	-110.97
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000420623	0	28	-2.0	-120.23	282.70	5.85	-114.38
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2)=CO1	REAL300000420624	1	37	-2.0	-129.69	339.56	4.28	-125.41
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000420627	1	32	-2.0	-118.11	307.46	2.07	-116.04
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2S1	REAL300000420628	0	37	-2.0	-139.95	343.61	8.13	-131.82
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420629	1	32	-2.0	-129.07	292.67	4.52	-124.55
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000420630	0	34	-2.0	-129.93	324.50	3.46	-126.47
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000420630	1	33	-3.0	-198.94	321.48	2.32	-196.62
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(F)C=C1F	REAL300000420633	0	34	-2.0	-118.36	327.95	5.97	-112.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300000420634	0	31	-2.0	-131.79	290.08	5.96	-125.83
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000420635	0	35	-2.0	-133.18	338.80	4.80	-128.38
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420636	0	47	-2.0	-150.02	396.04	8.04	-141.98
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000420637	0	32	-2.0	-119.14	321.80	5.64	-113.50
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1F	REAL300000420638	1	31	-2.0	-119.23	289.88	5.92	-113.31
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])O1	REAL300000420639	0	31	-2.0	-120.11	302.71	4.01	-116.10
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000420640	0	33	-2.0	-144.14	303.10	5.85	-138.29
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300000420641	0	34	-2.0	-132.98	329.59	5.90	-127.08
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300000420642	0	34	-2.0	-132.06	346.73	6.38	-125.68
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000420643	0	28	-2.0	-116.12	281.34	5.41	-110.71
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420644	1	40	-2.0	-133.15	350.51	4.16	-128.99
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000420645	0	30	-3.0	-193.90	300.26	5.68	-188.22
CC1=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000420645	1	31	-2.0	-100.34	298.70	5.22	-95.12
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1C	REAL300000420646	1	37	-2.0	-129.90	328.00	6.52	-123.38
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420647	0	32	-2.0	-126.57	305.78	5.09	-121.48
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420648	0	30	-3.0	-187.32	319.86	6.80	-180.52
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=C1	REAL300000420648	1	31	-2.0	-93.19	317.02	6.37	-86.82
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CN=C1Cl	REAL300000420649	0	30	-2.0	-117.03	293.82	4.44	-112.59
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420650	0	34	-2.0	-133.30	321.34	2.80	-130.50
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420652	1	37	-2.0	-130.87	340.12	6.67	-124.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(=O)N(C)C	REAL300000420653	1	42	-2.0	-121.51	361.79	5.46	-116.05
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C21	REAL300000420654	1	39	-2.0	-150.60	341.99	6.25	-144.35
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420655	0	40	-2.0	-126.17	342.29	5.83	-120.34
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420656	1	34	-2.0	-123.03	334.69	6.39	-116.64
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1C	REAL300000420657	0	37	-2.0	-125.07	321.68	5.12	-119.95
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C	REAL300000420658	1	37	-2.0	-121.52	333.97	6.41	-115.11
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000420659	0	33	-2.0	-114.05	307.39	6.41	-107.64
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000420660	1	36	-2.0	-138.76	322.76	3.68	-135.08
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420661	1	37	-2.0	-139.37	348.20	3.43	-135.94
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420662	1	32	-2.0	-119.23	299.44	6.40	-112.83
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1F	REAL300000420663	1	35	-2.0	-136.37	324.34	4.24	-132.13
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000420664	0	33	-2.0	-123.39	312.85	6.48	-116.91
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420665	1	40	-2.0	-122.69	314.18	7.71	-114.98
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC(Cl)=C2O1	REAL300000420666	1	36	-2.0	-123.10	336.94	6.34	-116.76
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1C	REAL300000420667	1	38	-2.0	-148.80	338.04	5.02	-143.78
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C21	REAL300000420668	1	42	-2.0	-150.18	354.77	6.80	-143.38
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420669	0	32	-2.0	-127.59	300.81	5.69	-121.90
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420670	1	32	-2.0	-116.22	299.42	6.39	-109.83
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420671	1	40	-2.0	-124.11	325.04	8.68	-115.43
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300000420672	1	37	-2.0	-132.96	331.84	5.29	-127.67
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1OC	REAL300000420673	1	38	-2.0	-124.22	345.25	5.92	-118.30
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300000420674	0	29	-2.0	-120.81	289.47	5.68	-115.13
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300000420675	0	31	-2.0	-127.95	301.61	7.26	-120.69
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2O1	REAL300000420676	1	33	-2.0	-124.71	306.81	2.88	-121.83
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=N1	REAL300000420677	0	34	-2.0	-123.32	307.93	4.31	-119.01
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420678	0	33	-2.0	-129.44	299.66	1.89	-127.55
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000420679	1	33	-2.0	-128.02	304.15	5.61	-122.41
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=N1	REAL300000420680	0	34	-2.0	-126.72	322.54	4.00	-122.72
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CN1	REAL300000420681	0	34	-2.0	-137.51	307.14	3.65	-133.86
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000420682	0	31	-2.0	-127.06	305.00	7.03	-120.03
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300000420683	0	37	-2.0	-128.85	335.40	6.59	-122.26
COC1=CC=C(OC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300000420685	1	43	-2.0	-123.16	381.34	7.36	-115.80
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420686	0	32	-2.0	-122.58	319.97	6.51	-116.07
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000420687	1	28	-2.0	-109.37	282.16	5.41	-103.96
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420688	1	39	-2.0	-123.48	345.78	7.06	-116.42
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CN1C	REAL300000420689	0	35	-2.0	-129.15	324.34	5.33	-123.82
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420690	1	43	-2.0	-127.02	353.59	8.01	-119.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(Cl)=C1	REAL300000420691	0	30	-3.0	-184.30	304.68	6.34	-177.96
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C(Cl)=C1	REAL300000420691	1	31	-2.0	-94.70	301.89	5.90	-88.80
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000420692	0	31	-2.0	-101.14	294.43	5.76	-95.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000420692	1	30	-3.0	-185.86	296.15	5.82	-180.04
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420693	1	36	-2.0	-135.27	329.65	4.64	-130.63
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300000420694	0	35	-2.0	-128.73	328.13	6.50	-122.23
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300000420695	0	38	-2.0	-120.48	357.38	7.27	-113.21
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000420696	0	28	-2.0	-122.36	297.36	5.59	-116.77
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300000420697	1	28	-2.0	-115.97	290.17	5.89	-110.08
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420698	1	38	-2.0	-135.69	330.54	5.43	-130.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC(C)=C1F	REAL300000420699	1	34	-2.0	-120.47	310.20	6.56	-113.91
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300000420700	1	28	-2.0	-115.70	290.17	5.89	-109.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000420701	0	32	-2.0	-123.29	320.25	5.59	-117.70
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2S1	REAL300000420702	1	42	-2.0	-125.20	376.16	7.17	-118.03
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=N1	REAL300000420703	0	39	-2.0	-130.82	350.91	5.98	-124.84
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300000420704	0	31	-2.0	-115.58	307.98	3.29	-112.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000420705	0	27	-3.0	-189.66	283.89	4.91	-184.75
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420706	0	37	-2.0	-133.90	327.71	6.19	-127.71
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=C1	REAL300000420707	0	31	-2.0	-94.82	296.37	5.79	-89.03
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420707	1	30	-3.0	-192.89	298.03	5.85	-187.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1F	REAL300000420708	0	33	-3.0	-199.61	317.38	6.48	-193.13
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420709	1	42	-2.0	-123.34	355.98	7.28	-116.06
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300000420710	0	34	-3.0	-189.14	331.94	6.40	-182.74
COC1=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300000420710	1	35	-2.0	-98.51	329.08	5.97	-92.54
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000420711	0	30	-2.0	-126.50	313.90	7.90	-118.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CN1	REAL300000420712	0	32	-2.0	-125.67	306.57	3.57	-122.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300000420713	0	30	-3.0	-188.38	297.09	5.85	-182.53
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300000420713	1	31	-2.0	-106.16	294.66	5.40	-100.76
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000420714	0	31	-2.0	-98.89	302.41	6.11	-92.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000420714	1	30	-3.0	-184.54	304.12	6.18	-178.36
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420715	1	31	-2.0	-122.30	283.96	6.03	-116.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Br	REAL300000420716	1	31	-2.0	-123.85	302.66	6.42	-117.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1C	REAL300000420717	1	37	-2.0	-123.69	334.01	6.41	-117.28
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CS1	REAL300000420718	0	31	-2.0	-124.59	310.44	4.90	-119.69
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1F	REAL300000420719	1	34	-2.0	-117.30	322.50	5.90	-111.40
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000420720	0	30	-2.0	-122.99	288.40	3.79	-119.20
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420721	1	32	-2.0	-129.90	305.42	6.40	-123.50
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1Br	REAL300000420722	1	32	-2.0	-119.48	313.08	5.19	-114.29
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420723	0	32	-2.0	-125.00	309.13	5.22	-119.78
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420724	1	36	-2.0	-113.19	321.52	7.56	-105.63
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=CC=C1[O-]	REAL300000420725	1	36	-2.0	-104.86	323.14	2.09	-102.77
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000420728	0	34	-2.0	-93.45	318.49	6.95	-86.50
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420728	1	33	-3.0	-190.47	321.07	6.99	-183.48
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420729	1	34	-2.0	-119.81	317.40	7.00	-112.81
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420730	0	28	-2.0	-119.45	296.38	5.54	-113.91
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420731	1	34	-2.0	-128.34	306.06	6.65	-121.69
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300000420732	0	31	-2.0	-123.70	318.81	7.16	-116.54
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420733	1	31	-2.0	-123.21	290.99	5.96	-117.25
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420734	0	39	-2.0	-97.95	353.69	7.13	-90.82
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420734	1	38	-3.0	-180.42	355.36	7.19	-173.23
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420735	0	34	-2.0	-121.82	321.06	4.67	-117.15
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000420736	1	34	-2.0	-121.09	314.54	4.28	-116.81
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000420737	0	31	-2.0	-109.24	300.76	5.81	-103.43
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000420737	1	30	-3.0	-189.46	302.45	5.87	-183.59
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420738	0	32	-3.0	-186.56	319.82	6.45	-180.11
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=C1	REAL300000420738	1	33	-2.0	-103.32	318.15	6.39	-96.93
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300000420739	0	31	-2.0	-128.24	316.52	7.09	-121.15
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420740	0	38	-2.0	-134.15	346.11	5.68	-128.47
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420741	1	40	-2.0	-128.06	351.06	7.21	-120.85
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(F)C=C1F	REAL300000420743	0	31	-2.0	-122.67	295.38	5.98	-116.69
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300000420744	0	34	-2.0	-135.21	314.94	8.28	-126.93
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000420745	1	34	-2.0	-136.33	304.22	7.53	-128.80
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000420746	0	30	-2.0	-124.46	295.16	4.70	-119.76
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000420747	0	33	-2.0	-119.14	320.52	6.97	-112.17
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(F)(F)F	REAL300000420748	1	32	-2.0	-112.88	319.80	6.41	-106.47
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000420749	0	35	-2.0	-123.59	341.02	4.31	-119.28
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420750	1	31	-2.0	-121.63	296.74	6.51	-115.12
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420751	0	31	-3.0	-194.31	301.35	3.49	-190.82
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=C1	REAL300000420751	1	31	-3.0	-197.75	295.34	4.35	-193.40
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000420752	1	38	-2.0	-130.86	318.48	7.85	-123.01
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420753	0	33	-2.0	-128.25	327.11	4.61	-123.64
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420754	0	34	-2.0	-100.64	312.21	6.50	-94.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420754	1	33	-3.0	-189.09	313.80	6.57	-182.52
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000420755	1	35	-2.0	-126.00	333.05	4.74	-121.26
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])O1	REAL300000420756	0	34	-2.0	-120.55	324.57	4.94	-115.61
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000420757	0	30	-2.0	-113.87	297.79	5.96	-107.91
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420758	0	33	-2.0	-133.59	319.00	6.28	-127.31
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000420759	1	40	-2.0	-125.71	353.91	6.75	-118.96
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420760	1	33	-2.0	-112.44	319.32	7.04	-105.40
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420761	0	31	-2.0	-135.53	305.91	5.93	-129.60
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])SC=C1	REAL300000420762	0	29	-2.0	-132.20	285.34	3.51	-128.69
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420763	1	37	-2.0	-136.44	345.33	3.64	-132.80
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300000420764	0	34	-2.0	-129.20	319.92	6.32	-122.88
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000420765	0	31	-2.0	-130.47	292.93	5.61	-124.86
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=CC=C2C=C1	REAL300000420766	0	36	-2.0	-146.58	324.68	6.46	-140.12
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300000420767	0	34	-2.0	-127.46	330.77	8.09	-119.37
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C21	REAL300000420768	1	39	-2.0	-121.18	346.47	4.74	-116.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C(Br)S1	REAL300000420769	0	28	-2.0	-116.58	293.05	5.73	-110.85
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300000420770	1	34	-2.0	-126.74	318.58	7.96	-118.78
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(Cl)C=C1F	REAL300000420771	0	34	-2.0	-114.31	335.56	6.47	-107.84
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC(F)=C1F	REAL300000420772	1	34	-2.0	-111.97	328.78	5.96	-106.01
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])SC2=CC=CC(F)=C12	REAL300000420773	0	34	-2.0	-130.81	320.66	7.44	-123.37
N#CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420774	1	29	-2.0	-115.06	305.29	6.23	-108.83
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1F	REAL300000420775	0	33	-2.0	-122.77	317.18	6.60	-116.17
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420776	0	30	-2.0	-130.70	296.41	3.97	-126.73
CN(C)C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420778	0	36	-2.0	-127.42	331.12	6.33	-121.09
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=NC2=C1Cl	REAL300000420779	0	33	-2.0	-114.93	324.16	5.19	-109.74
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300000420780	0	28	-2.0	-129.24	282.81	6.16	-123.08
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300000420781	1	30	-2.0	-117.99	311.45	5.13	-112.86
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420782	0	28	-2.0	-115.20	278.15	4.17	-111.03
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])N=C1Cl	REAL300000420783	0	28	-2.0	-134.13	283.51	4.04	-130.09
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC(OC)=C1	REAL300000420784	1	36	-2.0	-130.50	322.16	3.83	-126.67
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000420785	0	31	-2.0	-110.31	310.64	6.24	-104.07
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000420785	1	30	-3.0	-191.52	312.34	6.31	-185.21
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000420786	0	29	-2.0	-132.42	279.01	3.96	-128.46
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1C	REAL300000420787	0	36	-2.0	-140.46	314.25	8.03	-132.43
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])S2)=CS1	REAL300000420788	0	34	-2.0	-126.19	342.63	5.78	-120.41
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420789	0	29	-2.0	-115.02	285.39	3.06	-111.96
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1Cl	REAL300000420790	1	34	-2.0	-117.84	330.48	6.26	-111.58
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420791	1	33	-2.0	-111.01	311.38	6.69	-104.32
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000420792	0	34	-2.0	-118.76	298.69	6.38	-112.38
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420792	1	33	-3.0	-204.50	301.67	6.43	-198.07
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000420794	1	35	-2.0	-145.59	327.78	3.08	-142.51
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000420795	0	34	-2.0	-100.82	314.79	6.37	-94.45
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000420795	1	33	-3.0	-201.30	316.46	6.43	-194.87
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000420796	0	34	-2.0	-100.00	303.24	6.48	-93.52
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420797	0	34	-2.0	-136.17	322.11	6.34	-129.83
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2F)N=C1	REAL300000420798	1	38	-2.0	-120.78	346.77	7.08	-113.70
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300000420799	0	29	-2.0	-121.39	292.47	5.90	-115.49
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(C)N1	REAL300000420800	0	41	-2.0	-125.59	359.09	5.90	-119.69
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000420801	0	31	-2.0	-125.23	295.36	5.99	-119.24
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000420802	0	34	-2.0	-113.80	318.70	5.97	-107.83
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000420803	0	37	-2.0	-120.84	322.62	6.77	-114.07
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000420803	1	36	-3.0	-208.57	324.51	6.85	-201.72
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300000420804	1	34	-2.0	-136.73	320.90	8.04	-128.69
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000420805	0	34	-2.0	-127.49	328.28	2.77	-124.72
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000420806	0	32	-3.0	-198.38	318.19	6.88	-191.50
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000420806	1	33	-2.0	-123.39	316.49	6.81	-116.58
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000420807	0	31	-2.0	-123.61	308.50	6.72	-116.89
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300000420808	0	28	-2.0	-117.31	295.64	5.95	-111.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1CC	REAL300000420809	1	40	-2.0	-129.64	340.23	7.79	-121.85
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420810	0	30	-3.0	-189.05	303.37	5.91	-183.14
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300000420811	1	33	-2.0	-114.71	316.21	6.55	-108.16
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420812	0	34	-2.0	-129.98	325.13	7.12	-122.86
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000420813	0	27	-2.0	-121.84	282.13	4.67	-117.17
COC(=O)C1=NC=CC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=CC=C12	REAL300000420814	1	39	-2.0	-123.72	349.90	6.23	-117.49
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420815	0	34	-2.0	-134.12	308.61	5.61	-128.51
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(Cl)S1	REAL300000420816	0	31	-2.0	-127.74	331.83	2.34	-125.40
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=N1	REAL300000420817	0	33	-2.0	-116.61	313.91	4.05	-112.56
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000420818	0	27	-2.0	-112.60	288.59	4.41	-108.19
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000420819	0	37	-2.0	-110.19	321.75	6.74	-103.45
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)[N-]C4=CC=CC=C4C(=O)[O-])C=CC1=C23	REAL300000420820	1	39	-2.0	-126.60	348.94	7.15	-119.45
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420821	0	33	-3.0	-199.29	313.11	6.38	-192.91
CC1=CC(F)=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420821	1	34	-2.0	-112.91	314.44	6.04	-106.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300000420822	0	33	-3.0	-196.10	323.41	6.92	-189.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300000420822	1	34	-2.0	-99.10	320.55	6.48	-92.62
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420823	0	33	-3.0	-215.65	316.68	6.47	-209.18
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300000420824	0	33	-2.0	-113.35	315.95	7.25	-106.10
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300000420826	0	28	-2.0	-112.56	290.41	5.71	-106.85
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420827	1	36	-2.0	-137.43	326.26	6.49	-130.94
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=N1	REAL300000420828	0	35	-2.0	-120.68	322.92	2.84	-117.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000420829	0	33	-2.0	-132.47	313.48	6.07	-126.40
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300000420830	0	28	-2.0	-118.73	286.06	5.99	-112.74
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1Br	REAL300000420831	0	31	-2.0	-126.22	297.85	6.48	-119.74
CCCCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(=O)NC1=O	REAL300000420832	1	46	-2.0	-128.87	399.39	5.96	-122.91
CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420833	0	37	-2.0	-100.41	324.10	6.90	-93.51
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420833	1	36	-3.0	-207.03	325.92	6.97	-200.06
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000420834	0	39	-2.0	-123.12	340.33	3.77	-119.35
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1C#N	REAL300000420836	0	32	-2.0	-135.45	300.42	6.03	-129.42
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300000420837	0	31	-2.0	-116.51	315.05	6.78	-109.73
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300000420838	1	28	-2.0	-116.47	299.29	6.30	-110.17
CCOC(=O)C1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C2O1	REAL300000420840	1	42	-2.0	-123.84	376.66	7.46	-116.38
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000420841	0	34	-2.0	-91.68	308.13	5.27	-86.41
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000420842	0	37	-2.0	-126.90	336.16	6.87	-120.03
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420843	0	34	-2.0	-133.74	310.49	5.98	-127.76
CS(=O)(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000420844	1	36	-2.0	-123.55	342.12	2.00	-121.55
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300000420845	0	25	-2.0	-115.55	290.65	5.48	-110.07
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000420846	0	36	-2.0	-121.03	321.21	2.98	-118.05
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420847	0	41	-2.0	-116.13	368.41	6.78	-109.35
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420849	0	36	-2.0	-123.10	336.60	7.28	-115.82
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1F	REAL300000420850	0	31	-2.0	-133.48	288.98	5.94	-127.54
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=N1	REAL300000420851	0	34	-2.0	-119.11	312.20	2.85	-116.26
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000420852	0	35	-2.0	-141.63	309.12	5.24	-136.39
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000420853	0	38	-2.0	-126.77	340.45	5.85	-120.92
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420854	1	35	-2.0	-126.09	318.23	4.95	-121.14
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420855	0	33	-2.0	-125.56	302.44	2.21	-123.35
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300000420856	0	31	-2.0	-127.70	295.03	6.37	-121.33
CC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1Br	REAL300000420857	1	33	-2.0	-115.51	322.23	6.34	-109.17
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300000420858	0	34	-2.0	-132.17	309.42	2.89	-129.28
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300000420860	1	41	-2.0	-125.86	361.51	7.85	-118.01
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420861	0	37	-2.0	-122.00	346.23	6.87	-115.13
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420862	1	35	-2.0	-125.59	309.78	5.26	-120.33
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000420863	0	37	-2.0	-114.93	336.34	5.53	-109.40
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420865	0	31	-2.0	-127.13	295.39	5.58	-121.55
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000420866	1	31	-2.0	-123.07	289.22	3.88	-119.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000420867	0	36	-2.0	-144.06	316.80	6.98	-137.08
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000420868	0	34	-2.0	-129.77	312.44	7.25	-122.52
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300000420869	1	41	-2.0	-141.34	356.33	6.55	-134.79
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300000420870	0	34	-2.0	-115.54	331.77	3.31	-112.23
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420871	0	34	-2.0	-128.99	314.80	6.68	-122.31
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000420872	0	30	-2.0	-110.59	295.90	5.92	-104.67
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300000420873	0	42	-2.0	-125.43	369.05	6.42	-119.01
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000420874	0	34	-2.0	-98.79	314.10	6.50	-92.29
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420874	1	33	-3.0	-195.40	317.89	6.97	-188.43
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000420875	1	28	-2.0	-116.63	286.32	5.81	-110.82
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(C)O1	REAL300000420876	0	34	-2.0	-117.46	321.04	4.78	-112.68
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000420877	0	27	-2.0	-116.56	274.92	3.93	-112.63
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000420878	0	34	-2.0	-97.80	320.05	6.53	-91.27
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000420878	1	33	-3.0	-183.12	321.75	6.60	-176.52
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300000420879	0	34	-2.0	-98.62	321.19	6.68	-91.94
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300000420879	1	33	-3.0	-201.18	322.85	6.74	-194.44
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])N=C1C	REAL300000420880	0	34	-2.0	-136.99	308.78	5.00	-131.99
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420881	0	31	-2.0	-125.26	301.07	6.59	-118.67
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420882	0	31	-2.0	-126.82	297.71	6.45	-120.37
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420883	0	34	-3.0	-202.96	319.65	6.00	-196.96
CCN1C=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420883	1	35	-2.0	-117.64	319.50	5.98	-111.66
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420884	0	31	-2.0	-124.42	303.05	3.96	-120.46
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420885	0	40	-2.0	-126.13	342.65	5.78	-120.35
COC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420886	1	32	-2.0	-123.30	313.97	5.15	-118.15
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CN1C	REAL300000420887	0	38	-2.0	-128.62	346.20	6.26	-122.36
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300000420888	0	33	-2.0	-131.02	320.73	5.67	-125.35
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420889	1	36	-2.0	-122.12	322.85	7.17	-114.95
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000420890	0	28	-2.0	-130.21	279.22	6.02	-124.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(Cl)=N1	REAL300000420891	0	30	-2.0	-124.86	293.06	4.54	-120.32
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420892	0	33	-2.0	-123.06	312.21	5.41	-117.65
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300000420893	0	35	-2.0	-126.48	328.24	6.41	-120.07
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000420894	1	32	-2.0	-122.54	318.37	6.70	-115.84
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000420895	0	30	-2.0	-121.71	293.18	3.80	-117.91
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C12	REAL300000420896	0	35	-2.0	-114.62	324.40	2.94	-111.68
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000420897	0	30	-2.0	-119.64	301.30	5.55	-114.09
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CN=C1Cl	REAL300000420899	0	31	-2.0	-114.88	304.02	3.18	-111.70
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000420900	1	37	-2.0	-121.42	339.10	6.18	-115.24
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300000420901	1	43	-2.0	-122.65	376.91	5.66	-116.99
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300000420902	1	40	-2.0	-125.17	347.37	6.69	-118.48
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000420903	0	30	-2.0	-114.00	298.67	4.53	-109.47
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420904	0	34	-2.0	-122.54	324.37	5.94	-116.60
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300000420905	0	43	-2.0	-103.18	354.31	7.99	-95.19
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(S(=O)(=O)F)C=C1	REAL300000420906	0	31	-2.0	-123.64	309.76	2.32	-121.32
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420907	0	43	-2.0	-125.58	354.72	6.20	-119.38
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C)=C1F	REAL300000420908	1	35	-2.0	-122.07	313.26	5.33	-116.74
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(Cl)=C1	REAL300000420909	0	29	-2.0	-116.00	297.05	6.18	-109.82
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000420910	0	30	-3.0	-186.13	317.25	6.34	-179.79
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000420912	0	31	-2.0	-136.73	291.10	5.54	-131.19
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420913	0	33	-2.0	-122.05	313.12	4.08	-117.97
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420914	0	39	-2.0	-136.07	353.31	5.32	-130.75
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000420915	0	25	-2.0	-120.02	267.55	3.95	-116.07
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300000420916	0	37	-2.0	-141.48	346.41	6.63	-134.85
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300000420917	0	37	-2.0	-136.96	337.50	4.33	-132.63
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000420918	1	36	-2.0	-120.25	322.86	7.18	-113.07
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300000420919	0	28	-2.0	-122.20	294.49	6.38	-115.82
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420920	0	38	-2.0	-134.27	326.71	6.98	-127.29
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300000420921	0	28	-2.0	-122.30	284.24	5.63	-116.67
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420924	1	40	-2.0	-126.68	355.26	7.59	-119.09
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300000420925	0	28	-2.0	-117.25	298.35	6.33	-110.92
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420926	0	28	-2.0	-119.06	292.16	5.44	-113.62
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(OC)=C1	REAL300000420927	0	38	-2.0	-127.26	346.16	5.67	-121.59
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000420928	1	31	-2.0	-127.01	295.35	6.09	-120.92
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300000420929	0	31	-2.0	-121.19	307.41	6.29	-114.90
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420930	1	31	-2.0	-123.27	305.88	6.50	-116.77
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000420931	0	31	-2.0	-119.99	302.24	4.08	-115.91
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420932	0	32	-2.0	-131.69	299.25	6.29	-125.40
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420933	0	39	-2.0	-144.57	345.04	5.17	-139.40
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300000420934	0	40	-2.0	-145.04	354.93	4.31	-140.73
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)F)=C1	REAL300000420935	1	31	-2.0	-126.72	308.53	2.45	-124.27
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300000420937	0	36	-2.0	-121.21	332.61	6.52	-114.69
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420938	0	42	-2.0	-137.69	380.25	6.47	-131.22
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420939	1	37	-2.0	-127.57	316.46	7.20	-120.37
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300000420940	0	42	-2.0	-133.21	378.25	8.58	-124.63
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C)=CS1	REAL300000420941	0	34	-2.0	-136.14	318.39	6.40	-129.74
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1F	REAL300000420942	1	32	-2.0	-118.19	298.88	4.60	-113.59
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000420943	0	27	-2.0	-132.46	275.86	5.62	-126.84
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420944	0	36	-2.0	-129.88	336.58	7.28	-122.60
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CN=C21	REAL300000420945	1	33	-2.0	-120.42	307.52	4.35	-116.07
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000420946	0	27	-2.0	-115.12	284.34	4.98	-110.14
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420948	1	36	-2.0	-126.43	330.34	3.44	-122.99
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300000420949	1	31	-2.0	-115.71	318.96	6.75	-108.96
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420950	0	39	-2.0	-146.59	342.07	4.07	-142.52
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000420951	0	34	-2.0	-113.56	326.65	6.05	-107.51
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000420952	1	38	-2.0	-119.79	354.10	4.54	-115.25
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000420953	0	32	-2.0	-131.40	291.29	4.65	-126.75
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420954	0	29	-2.0	-119.00	297.08	6.18	-112.82
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000420955	0	31	-2.0	-120.70	307.13	4.29	-116.41
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420956	1	34	-2.0	-120.00	288.79	6.74	-113.26
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420957	0	36	-2.0	-140.91	317.14	5.73	-135.18
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420958	0	31	-2.0	-130.70	282.77	6.18	-124.52
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420959	0	42	-2.0	-134.34	385.18	6.33	-128.01
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420960	1	31	-2.0	-118.44	299.95	6.61	-111.83
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300000420961	0	32	-2.0	-141.37	301.56	5.30	-136.07
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420962	0	41	-2.0	-125.42	353.35	6.68	-118.74
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300000420963	0	28	-2.0	-123.20	289.96	5.91	-117.29
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=CC=C12	REAL300000420964	0	36	-2.0	-144.59	321.06	6.40	-138.19
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420965	1	32	-2.0	-129.14	314.42	2.51	-126.63
NC(=O)C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420966	1	32	-2.0	-129.10	318.98	2.62	-126.48
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000420967	0	29	-2.0	-133.55	287.94	3.52	-130.03
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420968	0	31	-2.0	-122.92	287.74	2.70	-120.22
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300000420969	0	28	-2.0	-128.53	289.24	5.89	-122.64
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300000420970	0	38	-2.0	-121.97	345.24	5.93	-116.04
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420972	0	38	-2.0	-135.74	352.12	2.54	-133.20
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-])OCO2	REAL300000420973	1	34	-2.0	-121.24	304.66	4.67	-116.57
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420974	0	34	-2.0	-119.91	309.57	6.32	-113.59
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420975	0	34	-2.0	-110.44	319.64	6.65	-103.79
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000420975	1	33	-3.0	-197.12	321.50	6.75	-190.37
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000420976	1	38	-2.0	-126.55	334.74	5.05	-121.50
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420977	0	37	-2.0	-140.54	330.27	7.53	-133.01
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420978	0	36	-2.0	-145.98	320.68	3.26	-142.72
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C2CCC(=O)C2=C1	REAL300000420979	0	34	-2.0	-132.29	324.37	6.77	-125.52
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000420981	0	31	-2.0	-129.54	308.12	2.72	-126.82
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000420981	1	30	-3.0	-197.80	304.83	1.57	-196.23
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000420982	1	35	-2.0	-125.30	324.06	4.24	-121.06
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300000420983	0	36	-2.0	-122.59	334.98	4.99	-117.60
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300000420984	1	32	-2.0	-121.43	308.64	4.87	-116.56
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000420985	1	31	-2.0	-113.98	307.49	6.28	-107.70
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000420986	0	39	-3.0	-193.56	337.79	7.80	-185.76
CC(C)(C)C1=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000420986	1	40	-2.0	-124.90	342.85	7.44	-117.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(Br)=C1	REAL300000420987	1	32	-2.0	-122.49	309.12	5.22	-117.27
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300000420988	0	34	-2.0	-131.60	322.10	4.80	-126.80
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=N1	REAL300000420989	0	33	-2.0	-124.10	319.97	0.83	-123.27
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420990	1	32	-2.0	-129.48	287.72	6.55	-122.93
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C	REAL300000420991	1	39	-2.0	-124.76	354.51	2.32	-122.44
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000420992	1	32	-2.0	-129.18	305.41	6.39	-122.79
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000420993	0	28	-2.0	-118.44	293.03	6.30	-112.14
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300000420995	0	28	-2.0	-119.05	296.39	6.44	-112.61
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-])OCC(=O)N2	REAL300000420996	0	38	-2.0	-128.24	342.13	2.25	-125.99
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300000420997	0	28	-2.0	-116.33	293.17	6.60	-109.73
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300000420998	0	28	-2.0	-116.99	296.38	6.43	-110.56
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000420999	0	32	-2.0	-127.93	308.16	5.53	-122.40
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000421000	0	29	-2.0	-120.17	290.67	3.99	-116.18
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421003	1	35	-2.0	-127.23	308.14	5.29	-121.94
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Br	REAL300000421004	1	29	-2.0	-113.46	303.66	6.12	-107.34
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300000421005	0	30	-2.0	-110.63	316.96	6.83	-103.80
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000421006	1	35	-2.0	-120.35	323.73	5.87	-114.48
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000421007	0	34	-2.0	-113.61	341.36	6.03	-107.58
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300000421008	0	30	-2.0	-115.74	313.04	6.46	-109.28
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000421009	0	26	-2.0	-114.71	275.68	4.78	-109.93
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300000421010	0	30	-2.0	-111.95	309.31	6.34	-105.61
CC1=CC(F)=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421011	1	31	-2.0	-113.67	305.65	6.66	-107.01
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000421012	0	33	-2.0	-127.49	304.35	5.59	-121.90
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000421013	0	34	-3.0	-199.09	331.96	6.41	-192.68
COC1=CC(Cl)=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000421013	1	35	-2.0	-103.54	329.17	5.98	-97.56
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300000421014	0	34	-2.0	-125.61	323.42	5.95	-119.66
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000421015	0	34	-2.0	-119.15	322.48	5.91	-113.24
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421016	0	36	-2.0	-133.33	339.31	7.06	-126.27
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1C#N	REAL300000421017	1	32	-2.0	-117.30	303.14	6.11	-111.19
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000421018	0	27	-2.0	-110.32	280.91	3.90	-106.42
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300000421019	1	28	-2.0	-116.63	299.29	6.30	-110.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300000421020	0	32	-2.0	-129.12	298.15	4.58	-124.54
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1[N+](=O)[O-]	REAL300000421021	0	36	-2.0	-138.17	324.12	8.55	-129.62
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300000421022	1	34	-2.0	-125.40	324.16	7.01	-118.39
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421023	0	38	-2.0	-110.11	349.87	8.06	-102.05
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300000421025	0	32	-2.0	-131.37	310.91	6.10	-125.27
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000421026	1	31	-2.0	-124.19	295.35	6.09	-118.10
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000421027	1	38	-2.0	-133.02	337.37	8.64	-124.38
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421028	0	37	-2.0	-129.89	345.29	6.86	-123.03
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CN1C	REAL300000421029	0	40	-2.0	-125.87	365.18	6.44	-119.43
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000421030	1	42	-2.0	-126.46	382.32	3.02	-123.44
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1OC	REAL300000421032	0	39	-2.0	-126.03	354.58	4.97	-121.06
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(F)C=C1C	REAL300000421033	0	40	-2.0	-125.88	361.30	7.41	-118.47
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421034	1	42	-2.0	-137.65	374.71	3.42	-134.23
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421035	0	39	-2.0	-136.42	346.50	4.74	-131.68
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000421036	0	34	-2.0	-102.30	305.78	6.24	-96.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000421036	1	33	-3.0	-187.94	307.64	6.33	-181.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=N1	REAL300000421037	0	31	-2.0	-118.91	290.34	1.91	-117.00
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000421038	0	28	-2.0	-125.49	285.40	5.81	-119.68
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300000421040	0	30	-2.0	-120.43	310.71	7.07	-113.36
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421041	0	39	-2.0	-121.67	341.30	6.35	-115.32
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2CC1	REAL300000421042	1	45	-2.0	-135.72	376.35	7.19	-128.53
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1OC	REAL300000421043	0	38	-2.0	-118.83	352.92	6.81	-112.02
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421044	0	37	-2.0	-127.76	340.70	8.00	-119.76
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421045	0	37	-2.0	-127.05	336.52	7.71	-119.34
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300000421046	0	31	-2.0	-121.34	304.55	7.10	-114.24
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300000421047	0	31	-2.0	-128.86	299.68	6.59	-122.27
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421048	1	40	-2.0	-131.73	361.99	7.59	-124.14
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421049	0	34	-2.0	-138.58	319.87	7.31	-131.27
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])N(C)N=C1	REAL300000421050	0	37	-2.0	-126.60	334.25	5.22	-121.38
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421051	0	41	-2.0	-133.61	367.97	6.59	-127.02
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1C	REAL300000421052	1	40	-2.0	-124.24	355.88	7.33	-116.91
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=C2O1	REAL300000421053	0	39	-2.0	-140.71	340.89	6.44	-134.27
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300000421054	1	32	-2.0	-112.40	319.83	6.41	-105.99
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000421055	0	31	-2.0	-130.68	289.77	3.86	-126.82
N#CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421056	0	29	-2.0	-130.26	300.96	6.02	-124.24
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421057	1	34	-2.0	-116.54	317.72	7.01	-109.53
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421058	1	35	-2.0	-129.54	314.52	5.45	-124.09
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000421059	0	28	-2.0	-126.08	285.51	6.08	-120.00
COC1=NC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421060	0	31	-2.0	-123.23	310.46	2.99	-120.24
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421061	1	34	-2.0	-153.52	307.57	2.81	-150.71
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2C=C1	REAL300000421062	1	37	-2.0	-130.90	330.47	8.16	-122.74
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000421063	0	25	-2.0	-121.37	271.15	4.67	-116.70
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421064	1	37	-2.0	-120.59	347.40	7.07	-113.52
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000421066	1	41	-2.0	-130.26	359.15	5.58	-124.68
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000421067	0	25	-2.0	-120.07	261.45	2.03	-118.04
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300000421068	0	33	-2.0	-134.47	317.69	6.28	-128.19
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000421069	0	27	-2.0	-121.04	270.07	3.34	-117.70
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421070	1	35	-2.0	-121.93	331.72	5.53	-116.40
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421071	0	37	-2.0	-120.92	327.70	4.29	-116.63
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=N1	REAL300000421072	0	37	-2.0	-119.98	332.35	3.78	-116.20
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000421073	0	35	-3.0	-192.53	334.88	7.98	-184.55
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000421076	0	31	-2.0	-123.52	299.35	5.68	-117.84
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300000421077	0	31	-2.0	-128.37	315.68	7.23	-121.14
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421078	0	33	-2.0	-135.43	304.32	4.80	-130.63
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300000421079	0	30	-2.0	-120.96	306.84	7.22	-113.74
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300000421081	0	38	-2.0	-133.70	355.19	6.06	-127.64
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300000421082	0	32	-2.0	-117.93	311.67	3.92	-114.01
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000421082	1	32	-2.0	-103.14	305.70	4.77	-98.37
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300000421083	0	34	-2.0	-119.43	316.60	6.52	-112.91
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300000421084	0	30	-2.0	-115.43	311.96	5.01	-110.42
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300000421085	1	32	-2.0	-154.68	294.32	2.50	-152.18
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000421086	1	35	-2.0	-127.06	312.39	7.33	-119.73
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421087	1	37	-2.0	-122.49	356.56	7.31	-115.18
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000421088	0	25	-2.0	-123.19	261.45	4.26	-118.93
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C2NC1=O	REAL300000421089	1	37	-2.0	-121.14	334.23	4.96	-116.18
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300000421090	0	34	-2.0	-139.19	324.00	3.66	-135.53
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C(F)(F)F)=N1	REAL300000421091	0	31	-2.0	-125.06	301.81	4.07	-120.99
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000421092	1	37	-2.0	-126.99	328.00	6.82	-120.17
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000421093	1	29	-2.0	-113.35	289.87	5.66	-107.69
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300000421097	0	33	-2.0	-118.18	315.53	6.59	-111.59
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000421098	0	34	-2.0	-102.29	307.60	6.17	-96.12
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300000421099	0	29	-2.0	-124.71	296.06	4.52	-120.19
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000421100	0	32	-3.0	-217.64	315.36	7.64	-210.00
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300000421101	0	32	-2.0	-127.04	314.45	5.09	-121.95
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C2N=C1Cl	REAL300000421102	1	36	-2.0	-122.18	339.66	6.62	-115.56
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(F)C=C1C	REAL300000421103	0	37	-2.0	-125.58	339.44	6.48	-119.10
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000421104	0	28	-2.0	-116.08	295.75	5.41	-110.67
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000421105	0	33	-2.0	-130.82	300.16	2.14	-128.68
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000421106	0	31	-2.0	-127.15	293.28	5.85	-121.30
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CN=C1C	REAL300000421107	0	36	-2.0	-117.74	329.40	4.57	-113.17
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000421108	0	29	-2.0	-113.72	286.55	4.09	-109.63
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000421109	1	40	-2.0	-130.61	366.83	4.44	-126.17
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421110	0	30	-2.0	-115.49	290.73	4.59	-110.90
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(Br)N1C	REAL300000421111	0	31	-2.0	-137.33	304.93	4.61	-132.72
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300000421112	1	34	-2.0	-118.40	317.59	6.74	-111.66
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421113	1	37	-2.0	-131.95	340.12	6.66	-125.29
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300000421114	0	27	-2.0	-111.68	294.47	4.40	-107.28
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300000421115	1	30	-2.0	-114.49	302.93	5.09	-109.40
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000421117	1	32	-2.0	-127.48	294.25	6.31	-121.17
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1Cl	REAL300000421118	1	34	-2.0	-131.40	333.68	3.15	-128.25
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421119	1	41	-2.0	-139.82	357.12	6.08	-133.74
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421120	1	35	-2.0	-125.50	334.98	5.46	-120.04
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421121	0	28	-2.0	-114.60	279.03	3.82	-110.78
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421122	0	39	-2.0	-134.65	361.26	4.56	-130.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300000421123	1	43	-2.0	-125.12	376.11	8.05	-117.07
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300000421125	1	33	-2.0	-122.76	309.60	2.42	-120.34
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000421126	0	28	-2.0	-121.36	278.81	2.75	-118.61
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000421127	0	34	-2.0	-121.81	309.46	5.14	-116.67
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421128	1	41	-2.0	-125.54	373.03	5.59	-119.95
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421129	1	44	-2.0	-126.05	394.89	6.52	-119.53
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=CC=C12	REAL300000421130	1	42	-2.0	-132.59	357.63	7.38	-125.21
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300000421131	0	39	-2.0	-117.59	359.73	5.05	-112.54
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300000421133	1	30	-2.0	-123.33	311.35	5.14	-118.19
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000421134	0	36	-2.0	-127.44	336.92	4.89	-122.55
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300000421135	0	36	-2.0	-115.72	334.31	3.79	-111.93
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300000421136	1	35	-2.0	-132.71	319.15	4.97	-127.74
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300000421137	0	31	-2.0	-119.86	300.40	2.79	-117.07
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421138	1	41	-2.0	-126.45	359.44	6.51	-119.94
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1Cl	REAL300000421139	1	32	-2.0	-119.25	308.69	5.08	-114.17
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000421140	0	32	-2.0	-134.00	314.75	1.86	-132.14
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000421141	0	30	-3.0	-214.22	295.27	5.81	-208.41
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000421142	0	25	-2.0	-128.81	262.52	3.22	-125.59
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000421143	0	30	-2.0	-137.71	294.37	4.64	-133.07
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000421144	1	33	-2.0	-130.20	298.98	5.07	-125.13
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000421146	0	34	-2.0	-137.45	313.68	7.53	-129.92
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300000421147	0	31	-2.0	-130.97	303.32	4.30	-126.67
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421148	0	34	-2.0	-134.68	331.60	6.76	-127.92
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300000421150	0	33	-2.0	-126.69	320.46	7.60	-119.09
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421151	0	31	-2.0	-126.57	290.29	6.72	-119.85
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(F)C=C1Br	REAL300000421152	0	31	-2.0	-124.63	308.16	6.47	-118.16
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300000421153	0	32	-2.0	-121.93	307.59	5.34	-116.59
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000421154	0	33	-2.0	-137.87	299.48	5.04	-132.83
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000421155	1	37	-2.0	-127.27	345.58	6.71	-120.56
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300000421156	0	37	-2.0	-130.44	334.26	8.22	-122.22
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300000421157	0	32	-2.0	-122.33	317.91	5.79	-116.54
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300000421161	0	31	-2.0	-133.54	293.08	6.18	-127.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300000421162	1	42	-2.0	-129.71	371.35	8.28	-121.43
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000421163	0	27	-2.0	-116.61	288.21	4.41	-112.20
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1Br	REAL300000421164	0	28	-2.0	-117.26	286.76	3.37	-113.89
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000421165	1	33	-2.0	-125.02	307.02	3.68	-121.34
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300000421166	1	35	-2.0	-151.72	325.35	3.94	-147.78
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000421167	0	34	-2.0	-108.93	310.96	6.27	-102.66
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000421167	1	33	-3.0	-194.93	312.80	6.35	-188.58
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421168	0	32	-2.0	-127.96	297.83	5.07	-122.89
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300000421169	1	31	-2.0	-114.64	302.77	4.32	-110.32
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000421170	1	36	-2.0	-124.25	325.62	7.06	-117.19
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421171	0	44	-2.0	-135.60	367.60	7.34	-128.26
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000421173	0	31	-2.0	-115.37	306.42	2.46	-112.91
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000421174	1	32	-2.0	-121.22	313.24	3.38	-117.84
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1Cl	REAL300000421175	1	31	-2.0	-120.56	298.63	6.32	-114.24
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000421176	1	34	-2.0	-136.17	311.29	6.21	-129.96
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300000421177	1	37	-2.0	-125.16	349.40	6.69	-118.47
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1F	REAL300000421178	0	34	-2.0	-129.16	338.32	6.40	-122.76
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421179	0	37	-2.0	-132.04	343.73	6.57	-125.47
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000421180	0	30	-2.0	-132.92	297.75	6.42	-126.50
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421181	1	33	-2.0	-143.41	303.76	1.13	-142.28
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C(F)(F)F	REAL300000421182	0	30	-2.0	-112.99	300.59	5.20	-107.79
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000421183	1	31	-2.0	-119.09	305.17	3.41	-115.68
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NO1	REAL300000421186	0	36	-2.0	-114.76	348.30	6.89	-107.87
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=NC(Cl)=CC=C2S1	REAL300000421187	0	30	-2.0	-124.59	313.76	5.20	-119.39
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=CS1	REAL300000421188	0	26	-2.0	-128.65	273.58	4.62	-124.03
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421189	0	35	-2.0	-128.58	330.93	6.97	-121.61
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000421192	1	28	-2.0	-115.99	285.76	5.79	-110.20
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000421193	0	37	-2.0	-136.31	324.86	5.57	-130.74
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300000421194	1	35	-2.0	-130.15	328.28	3.08	-127.07
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000421195	0	36	-2.0	-136.60	315.36	6.44	-130.16
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421196	0	38	-2.0	-126.33	335.95	4.21	-122.12
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300000421197	0	37	-2.0	-124.98	345.28	6.88	-118.10
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-])C(=O)NCCC2	REAL300000421202	0	43	-2.0	-138.77	367.53	4.09	-134.68
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])S2)C1	REAL300000421203	0	39	-2.0	-125.53	352.96	5.66	-119.87
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000421204	1	43	-2.0	-129.52	373.03	7.57	-121.95
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300000421206	1	28	-2.0	-117.22	301.21	6.36	-110.86
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421207	1	35	-2.0	-137.56	319.09	2.66	-134.90
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(=O)NC1=O	REAL300000421208	1	31	-2.0	-129.81	291.57	1.93	-127.88
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300000421210	1	40	-2.0	-125.72	347.24	6.67	-119.05
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=C2)=N1	REAL300000421211	1	40	-2.0	-126.82	356.64	5.10	-121.72
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])N(C)N=C1	REAL300000421212	0	34	-2.0	-125.83	312.38	4.29	-121.54
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C	REAL300000421213	1	39	-2.0	-130.11	348.87	4.40	-125.71
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421214	0	33	-2.0	-108.88	319.33	7.05	-101.83
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000421215	1	36	-2.0	-121.02	344.16	4.07	-116.95
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300000421218	0	35	-2.0	-135.62	329.67	7.02	-128.60
COC(=O)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=CC=C12	REAL300000421219	1	40	-2.0	-127.46	354.29	8.04	-119.42
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1F	REAL300000421220	0	34	-2.0	-128.44	327.99	5.96	-122.48
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=C(Cl)C=C21	REAL300000421221	0	39	-2.0	-138.12	356.88	6.90	-131.22
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421222	1	41	-2.0	-130.29	353.20	6.88	-123.41
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300000421225	0	41	-2.0	-126.28	365.60	7.55	-118.73
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000421226	0	33	-2.0	-129.97	310.97	7.34	-122.63
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CN1CC1CC1	REAL300000421227	0	41	-2.0	-141.61	362.04	7.16	-134.45
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])O1	REAL300000421228	0	34	-2.0	-121.41	320.61	4.59	-116.82
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2C1	REAL300000421229	1	39	-2.0	-132.00	346.60	5.70	-126.30
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000421230	0	31	-2.0	-123.21	302.92	4.73	-118.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300000421232	1	36	-2.0	-122.19	327.24	7.54	-114.65
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300000421233	0	31	-2.0	-139.91	312.64	5.03	-134.88
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000421234	0	37	-2.0	-106.50	330.57	7.83	-98.67
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000421234	1	36	-3.0	-215.16	332.67	7.90	-207.26
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421235	0	31	-2.0	-111.35	303.77	3.90	-107.45
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300000421236	1	39	-2.0	-127.68	363.77	9.32	-118.36
CC1=CC(Br)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421237	1	31	-2.0	-114.19	305.65	6.65	-107.54
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000421238	0	27	-2.0	-122.00	280.52	3.83	-118.17
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300000421239	1	38	-2.0	-140.42	329.27	8.63	-131.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(F)=C1F	REAL300000421241	0	31	-2.0	-130.45	295.25	6.00	-124.45
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300000421242	0	27	-2.0	-122.20	285.11	3.90	-118.30
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300000421243	1	35	-2.0	-134.11	338.70	4.52	-129.59
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])OC=C1	REAL300000421244	0	31	-2.0	-133.25	295.30	4.68	-128.57
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300000421246	1	34	-2.0	-117.21	334.37	7.10	-110.11
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421247	0	36	-2.0	-135.28	333.64	6.21	-129.07
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=N1	REAL300000421248	0	30	-2.0	-137.99	290.26	4.20	-133.79
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300000421249	0	35	-2.0	-116.74	333.25	5.02	-111.72
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C)=N1	REAL300000421250	0	40	-2.0	-123.45	351.08	5.99	-117.46
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(OC)C=C1F	REAL300000421251	0	38	-2.0	-122.15	350.61	5.72	-116.43
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421253	0	29	-3.0	-202.16	287.84	3.91	-198.25
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421254	0	32	-2.0	-120.05	291.98	5.19	-114.86
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000421256	1	40	-2.0	-123.80	341.39	7.48	-116.32
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421257	1	29	-2.0	-114.99	290.41	5.68	-109.31
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1F	REAL300000421258	1	35	-2.0	-155.63	331.80	4.08	-151.55
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300000421259	0	31	-2.0	-131.67	314.33	6.20	-125.47
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1C(F)(F)F	REAL300000421260	0	31	-2.0	-118.57	296.31	3.85	-114.72
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000421261	0	30	-2.0	-137.82	286.34	4.41	-133.41
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000421261	1	30	-2.0	-124.44	286.44	4.27	-120.17
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300000421262	0	32	-2.0	-135.42	296.91	5.19	-130.23
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421263	0	38	-2.0	-124.32	324.16	5.34	-118.98
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C(C)(C)C)=N1	REAL300000421264	0	40	-2.0	-120.62	328.47	5.75	-114.87
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000421265	0	38	-2.0	-124.42	330.58	5.58	-118.84
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421266	0	31	-2.0	-116.20	297.49	4.13	-112.07
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(Br)=N1	REAL300000421267	0	28	-2.0	-122.58	288.36	3.42	-119.16
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-])C1CCCCC1	REAL300000421270	1	41	-2.0	-153.01	350.81	4.63	-148.38
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300000421271	1	42	-2.0	-117.49	369.07	6.42	-111.07
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000421272	0	29	-2.0	-104.62	273.38	3.84	-100.78
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000421272	1	29	-2.0	-119.22	279.36	2.98	-116.24
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000421273	1	38	-2.0	-126.14	340.37	8.01	-118.13
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421274	0	31	-2.0	-139.27	294.18	2.88	-136.39
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421275	0	34	-2.0	-120.36	302.30	4.28	-116.08
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000421276	0	33	-2.0	-124.47	308.18	5.69	-118.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C#N)=C1	REAL300000421278	0	32	-2.0	-132.80	302.67	6.17	-126.63
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421279	0	32	-2.0	-131.46	294.92	6.46	-125.00
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000421280	1	31	-2.0	-119.47	299.85	6.12	-113.35
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=C2CCCC(=O)NC2=C1	REAL300000421281	0	39	-2.0	-127.07	351.94	5.91	-121.16
CN(C)S(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300000421282	1	40	-2.0	-156.51	366.95	4.58	-151.93
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000421286	1	35	-2.0	-129.00	326.91	7.18	-121.82
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421287	1	34	-2.0	-119.46	310.02	7.40	-112.06
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421288	0	28	-2.0	-115.16	282.41	1.02	-114.14
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421289	0	42	-2.0	-129.34	363.48	4.90	-124.44
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421293	0	34	-3.0	-192.30	319.83	5.58	-186.72
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000421293	1	35	-2.0	-111.75	317.02	5.53	-106.22
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000421294	0	32	-2.0	-120.90	302.68	0.83	-120.07
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421295	1	37	-2.0	-119.64	310.32	7.53	-112.11
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(=O)OC	REAL300000421296	0	40	-2.0	-123.10	368.89	6.87	-116.23
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000421297	0	28	-2.0	-128.65	277.48	5.34	-123.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(Cl)O1	REAL300000421299	0	27	-3.0	-185.45	291.74	4.76	-180.69
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421300	0	44	-2.0	-125.91	381.19	8.12	-117.79
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000421301	1	33	-2.0	-136.83	299.41	5.74	-131.09
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421302	0	35	-2.0	-127.27	324.58	5.41	-121.86
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1F	REAL300000421303	0	29	-2.0	-129.16	288.99	5.64	-123.52
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421304	0	31	-2.0	-116.16	317.73	4.49	-111.67
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C21	REAL300000421305	1	42	-2.0	-123.73	358.73	5.30	-118.43
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300000421306	1	43	-2.0	-151.57	373.85	7.88	-143.69
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C21	REAL300000421307	1	42	-2.0	-151.24	363.99	7.16	-144.08
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000421308	0	35	-2.0	-124.07	313.07	4.89	-119.18
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000421309	0	35	-2.0	-121.72	310.46	5.11	-116.61
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000421310	0	38	-2.0	-122.00	332.57	5.82	-116.18
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300000421311	0	40	-2.0	-127.27	353.98	8.05	-119.22
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421312	0	41	-2.0	-135.87	367.96	6.60	-129.27
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000421313	0	29	-2.0	-101.10	299.52	4.80	-96.30
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000421313	1	28	-3.0	-219.32	302.13	4.83	-214.49
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300000421314	0	33	-2.0	-131.27	314.84	4.24	-127.03
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300000421314	1	32	-3.0	-226.78	311.60	5.18	-221.60
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=NN2C1	REAL300000421315	0	39	-2.0	-131.48	338.21	3.24	-128.24
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300000421316	0	34	-2.0	-126.27	330.01	6.13	-120.14
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000421317	1	34	-2.0	-123.21	313.89	2.46	-120.75
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000421318	0	25	-2.0	-122.92	263.84	3.94	-118.98
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000421319	1	32	-2.0	-115.06	309.04	4.77	-110.29
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000421320	0	35	-2.0	-129.64	307.54	5.25	-124.39
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000421321	0	32	-2.0	-122.69	304.35	4.66	-118.03
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421323	0	38	-2.0	-130.40	337.60	6.62	-123.78
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421324	0	31	-2.0	-121.90	286.06	5.92	-115.98
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=C2O1	REAL300000421325	0	36	-2.0	-138.86	320.60	5.81	-133.05
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000421326	0	36	-2.0	-123.61	331.84	4.88	-118.73
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300000421327	1	36	-2.0	-126.82	331.41	7.43	-119.39
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421328	0	32	-2.0	-129.77	299.63	5.88	-123.89
CC1=C(Br)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(C)S1	REAL300000421329	0	31	-2.0	-122.63	308.08	6.65	-115.98
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C21	REAL300000421330	1	45	-2.0	-153.18	371.26	7.19	-145.99
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300000421331	0	34	-2.0	-131.96	316.88	5.84	-126.12
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C21	REAL300000421332	1	42	-2.0	-149.47	362.73	6.85	-142.62
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000421333	0	25	-2.0	-121.67	268.60	4.66	-117.01
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421334	0	28	-2.0	-113.67	284.11	3.40	-110.27
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000421335	0	30	-2.0	-115.05	297.06	4.39	-110.66
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421336	0	33	-2.0	-142.19	304.89	4.81	-137.38
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300000421338	0	32	-2.0	-129.25	318.18	5.79	-123.46
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000421339	1	29	-2.0	-113.91	278.05	4.00	-109.91
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000421340	0	31	-2.0	-129.54	302.01	6.65	-122.89
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300000421341	0	32	-2.0	-127.91	318.23	5.78	-122.13
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000421342	0	31	-2.0	-140.59	308.08	4.92	-135.67
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421343	0	35	-2.0	-120.46	315.11	4.94	-115.52
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C)=C1F	REAL300000421344	1	37	-2.0	-123.80	318.91	7.57	-116.23
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1OC	REAL300000421345	0	36	-2.0	-125.94	314.97	4.97	-120.97
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300000421346	1	37	-2.0	-128.91	331.49	2.44	-126.47
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1Br	REAL300000421347	1	29	-2.0	-114.01	303.68	6.12	-107.89
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C21	REAL300000421348	0	31	-2.0	-129.81	292.94	5.50	-124.31
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1OC	REAL300000421349	0	36	-2.0	-135.99	322.65	5.55	-130.44
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C2CCCC2)=N1	REAL300000421350	0	41	-2.0	-129.39	351.92	6.13	-123.26
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2S1	REAL300000421351	0	32	-2.0	-130.06	314.02	7.16	-122.90
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C2CC2)=N1	REAL300000421352	0	35	-2.0	-126.22	318.43	5.15	-121.07
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300000421353	1	32	-2.0	-125.71	302.41	4.80	-120.91
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=C(Br)C=C12	REAL300000421354	0	32	-2.0	-134.12	318.28	5.81	-128.31
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000421355	0	31	-2.0	-134.77	292.60	4.43	-130.34
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=CC=C21	REAL300000421356	0	33	-2.0	-146.24	307.71	3.63	-142.61
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1Br	REAL300000421357	1	34	-2.0	-122.10	317.74	7.20	-114.90
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=C21	REAL300000421358	0	35	-2.0	-126.33	303.84	7.19	-119.14
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CN=C1N	REAL300000421359	1	32	-2.0	-125.59	291.18	2.94	-122.65
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421360	0	28	-2.0	-123.02	280.46	1.10	-121.92
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000421363	0	31	-2.0	-123.47	296.89	5.60	-117.87
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C2CCC2)=N1	REAL300000421364	0	38	-2.0	-128.01	334.69	5.63	-122.38
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421365	1	46	-2.0	-129.37	376.69	9.11	-120.26
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300000421366	1	34	-2.0	-122.02	334.38	7.10	-114.92
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000421367	0	25	-2.0	-121.07	269.01	4.76	-116.31
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000421368	0	38	-2.0	-124.78	337.16	5.87	-118.91
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000421369	0	32	-2.0	-130.27	301.29	6.33	-123.94
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300000421370	0	39	-2.0	-132.71	361.66	8.04	-124.67
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000421371	1	41	-2.0	-135.38	352.96	3.63	-131.75
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000421372	0	37	-2.0	-153.17	328.59	6.43	-146.74
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421373	1	37	-2.0	-128.73	327.56	7.43	-121.30
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421374	0	34	-2.0	-117.60	319.45	3.56	-114.04
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421375	0	29	-2.0	-126.85	287.68	5.58	-121.27
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421376	0	35	-2.0	-124.69	308.88	4.75	-119.94
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000421377	0	32	-2.0	-110.63	319.61	6.57	-104.06
COC(=O)C1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2C=C1	REAL300000421378	1	40	-2.0	-125.98	363.85	8.13	-117.85
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421379	1	34	-2.0	-126.48	293.30	6.90	-119.58
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421380	0	37	-2.0	-117.88	310.16	5.13	-112.75
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=N1	REAL300000421381	0	37	-2.0	-124.50	327.66	4.94	-119.56
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000421382	0	35	-2.0	-124.37	311.75	4.32	-120.05
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CN=C1C(F)(F)F	REAL300000421383	0	33	-2.0	-115.12	314.09	5.04	-110.08
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=N1	REAL300000421384	0	39	-2.0	-124.08	337.43	6.04	-118.04
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C([N+](=O)[O-])=C1	REAL300000421385	0	30	-2.0	-107.23	302.19	5.97	-101.26
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300000421386	1	31	-2.0	-115.36	308.63	6.30	-109.06
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000421387	1	31	-2.0	-125.06	291.15	6.04	-119.02
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000421388	0	28	-2.0	-122.43	284.74	5.59	-116.84
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000421389	0	28	-2.0	-116.28	294.91	5.33	-110.95
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300000421391	1	31	-2.0	-114.22	315.07	6.64	-107.58
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1C	REAL300000421392	1	34	-2.0	-126.89	295.66	6.52	-120.37
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000421393	0	31	-2.0	-132.63	282.74	6.49	-126.14
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421394	1	39	-2.0	-136.70	347.75	7.26	-129.44
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000421396	1	38	-2.0	-129.33	343.40	6.91	-122.42
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421398	0	33	-2.0	-120.21	321.95	5.70	-114.51
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000421399	1	37	-2.0	-126.43	341.59	6.88	-119.55
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300000421400	0	29	-2.0	-124.02	295.79	6.07	-117.95
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300000421401	0	37	-2.0	-134.61	337.32	5.19	-129.42
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000421402	0	28	-2.0	-123.35	282.69	5.45	-117.90
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000421403	1	35	-2.0	-129.01	312.39	7.33	-121.68
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=CS1	REAL300000421404	0	29	-2.0	-129.20	285.43	3.67	-125.53
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300000421405	0	31	-2.0	-121.04	294.23	6.65	-114.39
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421406	0	34	-2.0	-120.79	328.14	5.53	-115.26
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000421407	0	35	-2.0	-131.20	317.88	7.39	-123.81
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000421408	0	38	-2.0	-122.48	327.93	5.83	-116.65
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421409	0	37	-2.0	-120.99	323.13	5.12	-115.87
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000421410	1	37	-2.0	-131.49	334.38	2.74	-128.75
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421411	0	31	-2.0	-134.31	317.11	1.72	-132.59
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C2=N1	REAL300000421412	0	33	-2.0	-137.26	306.77	3.58	-133.68
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421413	0	40	-2.0	-143.49	354.11	8.88	-134.61
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000421414	0	28	-2.0	-118.23	287.03	4.44	-113.79
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421415	0	32	-2.0	-119.52	304.10	5.14	-114.38
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C2CCOCC2)=N1	REAL300000421416	0	42	-2.0	-125.56	361.51	4.36	-121.20
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421417	1	34	-2.0	-127.05	316.38	6.75	-120.30
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000421418	1	32	-2.0	-125.92	302.42	4.80	-121.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000421420	0	29	-2.0	-122.51	286.96	3.67	-118.84
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=NC=CC=C12	REAL300000421421	0	39	-2.0	-145.20	334.59	7.51	-137.69
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000421423	0	31	-2.0	-119.22	295.84	3.92	-115.30
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421424	1	38	-2.0	-128.72	340.09	5.91	-122.81
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300000421425	0	31	-2.0	-119.77	314.84	4.68	-115.09
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421426	0	38	-2.0	-123.14	342.84	6.41	-116.73
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000421427	0	41	-2.0	-124.06	349.56	6.17	-117.89
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300000421428	1	39	-2.0	-123.66	351.84	8.08	-115.58
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000421429	1	31	-2.0	-125.75	283.74	6.19	-119.56
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421430	1	40	-2.0	-129.53	351.86	8.14	-121.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC(C)=C1Br	REAL300000421431	1	34	-2.0	-122.63	320.87	6.97	-115.66
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000421432	0	31	-2.0	-130.39	288.67	5.62	-124.77
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000421433	1	30	-2.0	-128.35	294.12	4.62	-123.73
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300000421434	0	31	-2.0	-118.83	304.83	4.14	-114.69
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-])=C2	REAL300000421436	0	34	-2.0	-120.61	348.26	6.44	-114.17
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300000421437	0	28	-2.0	-124.06	292.98	6.13	-117.93
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300000421438	0	30	-2.0	-120.30	304.18	4.49	-115.81
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300000421439	0	33	-2.0	-137.96	319.63	6.40	-131.56
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000421440	0	25	-2.0	-119.45	262.92	3.83	-115.62
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300000421441	1	33	-2.0	-135.62	316.37	6.20	-129.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300000421442	1	37	-2.0	-137.37	321.94	8.07	-129.30
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000421444	1	42	-2.0	-122.14	367.30	6.72	-115.42
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000421445	0	28	-2.0	-120.87	290.68	5.83	-115.04
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])O1	REAL300000421446	0	34	-2.0	-139.87	326.80	1.51	-138.36
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300000421447	0	38	-2.0	-129.70	338.82	6.58	-123.12
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300000421448	0	34	-2.0	-126.27	334.38	2.63	-123.64
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000421452	0	32	-2.0	-126.83	306.99	6.54	-120.29
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000421453	1	50	-2.0	-133.01	392.81	9.40	-123.61
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000421454	0	31	-2.0	-112.92	308.62	6.03	-106.89
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300000421456	0	24	-2.0	-113.62	267.10	3.65	-109.97
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000421457	1	38	-2.0	-125.32	349.84	7.12	-118.20
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=NN1	REAL300000421458	0	34	-2.0	-123.32	323.53	3.01	-120.31
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1OC	REAL300000421459	0	33	-2.0	-123.75	316.12	3.24	-120.51
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000421460	0	29	-2.0	-90.02	296.96	3.82	-86.20
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000421460	1	28	-3.0	-187.25	299.75	4.25	-183.00
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000421461	0	27	-2.0	-109.84	280.80	3.85	-105.99
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300000421462	0	32	-2.0	-123.98	314.25	5.93	-118.05
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300000421463	1	32	-2.0	-124.30	308.66	4.87	-119.43
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421464	0	34	-2.0	-125.25	306.57	5.23	-120.02
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C(F)C(F)=C1F	REAL300000421465	0	34	-2.0	-115.19	334.12	6.04	-109.15
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000421466	1	35	-2.0	-134.94	316.89	6.98	-127.96
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300000421467	0	31	-2.0	-126.59	293.86	6.63	-119.96
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300000421468	1	37	-2.0	-119.97	342.04	5.71	-114.26
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300000421469	0	25	-2.0	-113.59	288.25	5.32	-108.27
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300000421470	0	28	-2.0	-118.31	283.04	3.28	-115.03
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421471	0	41	-2.0	-128.32	356.89	7.65	-120.67
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300000421472	1	45	-2.0	-123.73	381.59	7.13	-116.60
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300000421473	0	31	-2.0	-121.60	319.44	6.64	-114.96
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300000421474	1	33	-2.0	-123.48	314.62	5.86	-117.62
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300000421475	1	39	-2.0	-130.37	351.90	8.07	-122.30
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421476	0	34	-2.0	-135.97	299.59	7.02	-128.95
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300000421477	1	33	-2.0	-121.30	318.03	3.80	-117.50
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300000421478	0	29	-2.0	-126.71	304.67	4.02	-122.69
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000421479	0	37	-2.0	-129.49	345.09	4.27	-125.22
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])S1	REAL300000421479	1	36	-3.0	-199.51	341.80	3.15	-196.36
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421480	0	30	-2.0	-113.88	290.91	4.61	-109.27
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421481	1	39	-2.0	-130.26	346.84	6.85	-123.41
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C2CC2)=N1	REAL300000421482	0	38	-2.0	-126.75	339.97	6.02	-120.73
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=NSN=C2C=C1	REAL300000421483	0	32	-2.0	-130.27	301.41	4.58	-125.69
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300000421484	1	34	-2.0	-124.69	325.81	8.00	-116.69
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(=O)NC(=O)N1	REAL300000421485	1	31	-2.0	-129.25	286.23	0.96	-128.29
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300000421487	1	38	-2.0	-126.90	354.11	9.16	-117.74
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C(Cl)S1	REAL300000421488	0	31	-2.0	-128.54	319.49	6.15	-122.39
CCC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=CC=C1Br	REAL300000421489	1	34	-2.0	-121.44	322.20	7.10	-114.34
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421490	0	41	-2.0	-123.43	351.06	6.37	-117.06
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000421491	0	25	-2.0	-120.67	261.91	3.72	-116.95
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000421492	0	25	-2.0	-118.83	271.98	4.73	-114.10
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421493	0	42	-2.0	-133.78	368.00	5.52	-128.26
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300000421494	0	34	-2.0	-130.09	322.02	8.06	-122.03
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421495	0	36	-2.0	-122.33	315.44	2.97	-119.36
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000421496	1	35	-2.0	-128.68	306.72	7.39	-121.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C)=N1	REAL300000421501	1	34	-2.0	-118.41	306.02	2.67	-115.74
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421502	0	34	-2.0	-130.80	310.58	3.04	-127.76
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421504	0	31	-2.0	-123.21	305.88	2.89	-120.32
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C	REAL300000421505	0	34	-2.0	-120.42	310.48	2.64	-117.78
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=N1	REAL300000421506	0	37	-2.0	-122.54	326.13	5.37	-117.17
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421507	0	37	-2.0	-124.56	326.75	4.96	-119.60
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300000421508	0	27	-2.0	-121.57	290.50	3.21	-118.36
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])SC=C1	REAL300000421509	0	26	-2.0	-120.74	275.22	4.57	-116.17
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421511	0	34	-2.0	-120.31	304.89	4.49	-115.82
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C	REAL300000421512	0	36	-2.0	-117.63	329.95	4.59	-113.04
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000421513	0	38	-2.0	-109.02	335.97	7.61	-101.41
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000421513	1	37	-3.0	-192.66	337.76	7.67	-184.99
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421514	0	31	-2.0	-129.83	305.04	7.03	-122.80
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000421515	0	35	-2.0	-119.41	315.37	5.35	-114.06
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000421516	0	35	-2.0	-127.55	316.89	6.38	-121.17
COC1=NOC(CS(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421517	1	31	-2.0	-116.09	294.23	1.57	-114.52
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=NN1C(C)C	REAL300000421518	0	37	-2.0	-122.87	327.66	4.96	-117.91
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300000421519	1	35	-2.0	-131.61	323.04	7.43	-124.18
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000421520	0	30	-2.0	-121.36	290.51	4.26	-117.10
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(S(=O)(=O)F)=CS1	REAL300000421521	0	28	-2.0	-124.47	301.81	1.41	-123.06
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000421523	1	42	-2.0	-124.00	371.98	8.79	-115.21
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300000421524	1	35	-2.0	-126.33	324.67	7.46	-118.87
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C12	REAL300000421525	0	32	-2.0	-128.94	313.62	5.69	-123.25
O=C([O-])C1=CC=CC=C1NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000421526	0	38	-2.0	-101.17	335.46	7.61	-93.56
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000421526	1	37	-3.0	-207.57	335.72	7.65	-199.92
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421527	1	37	-2.0	-128.24	330.00	7.23	-121.01
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000421528	0	31	-2.0	-135.21	302.84	6.22	-128.99
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000421529	0	32	-2.0	-139.49	311.06	4.49	-135.00
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300000421530	1	35	-2.0	-134.71	319.00	7.52	-127.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000421531	0	31	-2.0	-124.37	310.22	6.83	-117.54
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300000421532	0	32	-2.0	-120.73	314.65	5.08	-115.65
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300000421533	0	35	-2.0	-127.09	331.07	6.27	-120.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C(C(F)F)=C1	REAL300000421534	1	35	-2.0	-126.37	314.18	5.71	-120.66
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C1C(=O)OC	REAL300000421535	1	41	-2.0	-124.18	367.10	6.84	-117.34
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(=O)[O-])C=C2C1	REAL300000421536	1	41	-2.0	-129.66	362.53	7.75	-121.91
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421537	0	33	-2.0	-132.10	303.96	4.81	-127.29
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421538	0	34	-2.0	-121.59	328.26	3.39	-118.20
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421539	0	34	-2.0	-124.70	332.73	7.15	-117.55
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)[O-]	REAL300000421540	0	34	-2.0	-142.45	312.50	6.76	-135.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C2=NC=CC=C12	REAL300000421541	0	36	-2.0	-144.93	320.87	6.38	-138.55
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000421542	0	33	-3.0	-187.69	309.89	5.67	-182.02
CCC1=C(S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000421542	1	34	-2.0	-97.35	309.97	5.28	-92.07
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421543	0	41	-2.0	-136.78	352.61	7.22	-129.56
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])C=C(Cl)S1	REAL300000421544	0	28	-2.0	-116.40	288.42	5.62	-110.78
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300000421545	0	35	-2.0	-127.95	335.53	6.18	-121.77
O=C([O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000421546	0	35	-2.0	-124.97	308.89	4.53	-120.44
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)[O-])=C1	REAL300000421547	0	31	-2.0	-132.26	290.08	5.95	-126.31
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000421548	0	35	-2.0	-113.88	334.59	1.93	-111.95
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000421549	0	35	-2.0	-101.15	330.01	1.91	-99.24
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000421550	0	35	-2.0	-116.36	330.04	1.89	-114.47
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000421551	0	39	-2.0	-100.19	361.48	3.21	-96.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC=C2O)C=C1C(=O)[O-]	REAL300000421552	0	38	-2.0	-117.52	346.07	2.42	-115.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC=C2O)=C1C	REAL300000421553	0	41	-2.0	-114.12	362.71	3.23	-110.89
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000421554	0	35	-2.0	-109.46	335.51	1.96	-107.50
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000421555	0	41	-2.0	-100.11	373.63	3.48	-96.63
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000421556	0	32	-2.0	-106.78	323.24	0.96	-105.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(S(C)(=O)=O)=CC=C1O	REAL300000421557	0	38	-2.0	-111.89	345.48	2.64	-109.25
CN1C=C(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC=C2O)C=C1C(=O)[O-]	REAL300000421558	0	36	-2.0	-110.70	336.70	1.28	-109.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC=C2O)=C1	REAL300000421559	0	35	-2.0	-105.69	339.15	1.62	-104.07
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC=C2O)C=C1C(=O)[O-]	REAL300000421560	0	41	-2.0	-113.06	361.50	3.18	-109.88
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000421561	0	32	-2.0	-107.86	321.70	0.94	-106.92
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(S(C)(=O)=O)=CC=C1O	REAL300000421562	0	41	-2.0	-110.04	360.17	3.59	-106.45
CC1=C(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000421563	0	35	-2.0	-106.40	333.06	1.04	-105.36
CC1=C(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC=C2O)C=C(C(=O)[O-])S1	REAL300000421564	0	35	-2.0	-108.82	339.74	1.79	-107.03
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000421565	0	35	-2.0	-101.84	334.57	1.94	-99.90
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000421566	0	32	-2.0	-104.23	322.31	1.06	-103.17
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000421567	0	35	-2.0	-106.78	336.47	1.97	-104.81
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000421568	0	35	-2.0	-102.03	335.49	1.97	-100.06
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000421569	0	36	-2.0	-111.21	339.76	-0.51	-111.72
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000421570	0	38	-2.0	-104.96	352.23	2.68	-102.28
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(S(C)(=O)=O)=CC=C1O	REAL300000421571	0	38	-2.0	-112.20	340.08	2.50	-109.70
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(S(C)(=O)=O)=CC=C1O	REAL300000421572	0	38	-2.0	-101.54	345.46	2.63	-98.91
CC1=CC(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC=C2O)=CC(C(=O)[O-])=C1C	REAL300000421573	0	41	-2.0	-114.56	363.51	2.99	-111.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC=C2O)C(C)=C1C(=O)[O-]	REAL300000421574	0	41	-2.0	-116.71	363.58	3.29	-113.42
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC=C2O)C=C1C(=O)[O-]	REAL300000421575	0	41	-2.0	-118.26	364.37	3.09	-115.17
CCN1C=C(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC=C2O)C=C1C(=O)[O-]	REAL300000421576	0	39	-2.0	-111.87	357.99	2.14	-109.73
CC1=CC(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000421577	0	38	-2.0	-101.82	346.05	2.45	-99.37
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000421578	0	35	-2.0	-120.93	333.68	1.93	-119.00
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000421579	0	34	-2.0	-110.77	326.24	0.05	-110.72
CS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000421580	0	32	-2.0	-101.08	330.13	0.89	-100.19
CCC1=C(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000421581	0	38	-2.0	-106.11	352.16	1.90	-104.21
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000421582	0	41	-2.0	-95.54	373.43	1.50	-94.04
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000421583	1	34	-2.0	-112.34	319.22	2.85	-109.49
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(C)=O	REAL300000421584	0	42	-2.0	-112.34	374.31	3.92	-108.42
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000421585	1	34	-2.0	-102.93	315.45	2.85	-100.08
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000421586	1	34	-2.0	-116.07	316.97	2.92	-113.15
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(C)=O	REAL300000421587	0	38	-2.0	-119.69	343.61	2.64	-117.05
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000421588	1	38	-2.0	-101.77	348.42	4.21	-97.56
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000421589	1	37	-2.0	-116.79	332.99	3.45	-113.34
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000421590	0	34	-2.0	-110.20	330.04	3.48	-106.72
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000421591	1	34	-2.0	-111.10	327.97	3.23	-107.87
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000421592	1	40	-2.0	-116.82	350.07	4.26	-112.56
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000421593	0	34	-2.0	-112.61	322.44	2.98	-109.63
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000421594	1	40	-2.0	-100.94	360.54	4.50	-96.44
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000421595	0	31	-2.0	-110.30	310.16	1.93	-108.37
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000421596	1	37	-2.0	-115.28	330.89	3.63	-111.65
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000421597	1	38	-2.0	-100.21	345.77	3.11	-97.10
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000421598	0	35	-2.0	-114.10	321.34	2.18	-111.92
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000421599	1	38	-2.0	-115.73	339.24	1.68	-114.05
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000421600	0	34	-2.0	-106.04	324.57	2.52	-103.52
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000421601	1	40	-2.0	-118.07	350.91	4.27	-113.80
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000421602	0	31	-2.0	-110.80	306.34	1.86	-108.94
COC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(C)=O)=CC(C(=O)[O-])=C1OC	REAL300000421603	1	42	-2.0	-116.12	373.77	2.65	-113.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000421604	1	38	-2.0	-121.91	342.75	2.91	-119.00
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000421605	1	44	-2.0	-119.84	372.20	5.55	-114.29
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000421606	1	43	-2.0	-116.92	367.88	4.84	-112.08
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(C)=O	REAL300000421607	1	40	-2.0	-112.04	341.08	4.50	-107.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(C)=O	REAL300000421608	0	41	-2.0	-119.46	365.11	3.39	-116.07
CC(=O)C1=CC(O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000421609	0	37	-2.0	-109.82	341.26	3.36	-106.46
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000421609	1	36	-3.0	-193.82	343.87	3.40	-190.42
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000421610	1	41	-2.0	-119.60	361.21	4.81	-114.79
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000421611	0	34	-2.0	-108.50	319.98	2.06	-106.44
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000421612	1	40	-2.0	-120.77	359.13	2.69	-118.08
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000421613	0	38	-2.0	-117.36	343.61	1.92	-115.44
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000421614	1	42	-2.0	-101.14	367.60	3.43	-97.71
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000421615	0	34	-2.0	-106.52	333.05	3.43	-103.09
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000421616	1	38	-2.0	-98.81	364.07	3.74	-95.07
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000421617	1	41	-2.0	-100.89	366.62	3.83	-97.06
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000421618	0	37	-2.0	-106.15	337.68	3.74	-102.41
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000421619	1	38	-2.0	-99.47	351.98	3.17	-96.30
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000421620	1	41	-2.0	-122.80	366.10	3.89	-118.91
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000421621	0	34	-2.0	-111.72	325.15	2.73	-108.99
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000421622	0	34	-2.0	-99.96	328.52	3.40	-96.56
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000421623	0	34	-2.0	-102.32	321.48	2.96	-99.36
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000421624	0	31	-2.0	-104.51	306.95	1.95	-102.56
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000421625	0	34	-2.0	-106.06	321.11	2.89	-103.17
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000421626	0	37	-2.0	-113.72	341.21	3.53	-110.19
COC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(C)=O)=C(Cl)C=C1C(=O)[O-]	REAL300000421627	0	38	-2.0	-104.50	354.99	3.44	-101.06
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000421628	0	34	-2.0	-102.51	320.15	2.89	-99.62
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000421629	1	34	-2.0	-100.34	327.95	3.24	-97.10
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000421630	0	37	-2.0	-107.86	346.41	4.13	-103.73
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000421631	0	42	-2.0	-98.04	380.71	4.33	-93.71
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000421632	0	34	-2.0	-104.04	326.28	2.93	-101.11
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000421633	0	36	-2.0	-100.70	343.65	3.51	-97.19
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000421634	0	35	-2.0	-113.48	325.18	0.54	-112.94
CC(=O)C1=CC(O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000421634	1	35	-2.0	-110.19	318.20	1.38	-108.81
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000421635	1	37	-2.0	-106.04	339.14	3.69	-102.35
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000421636	1	34	-2.0	-105.42	335.39	3.35	-102.07
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000421637	1	37	-2.0	-112.05	325.49	3.49	-108.56
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000421638	1	37	-2.0	-114.24	341.80	3.57	-110.67
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000421639	1	37	-2.0	-102.71	332.38	3.70	-99.01
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000421640	1	40	-2.0	-119.45	348.34	3.91	-115.54
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000421641	0	36	-2.0	-113.27	342.04	3.94	-109.33
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000421642	0	34	-2.0	-104.18	328.70	3.04	-101.14
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000421643	1	40	-2.0	-116.89	348.99	4.24	-112.65
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000421644	0	37	-2.0	-114.74	340.00	3.52	-111.22
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000421645	0	37	-2.0	-111.57	347.25	3.98	-107.59
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000421646	0	37	-2.0	-121.59	342.00	3.61	-117.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000421647	1	40	-2.0	-117.66	350.93	4.10	-113.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(C)=O)C=C1CC(=O)[O-]	REAL300000421648	1	41	-2.0	-119.47	367.43	3.05	-116.42
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000421649	0	37	-2.0	-105.25	341.72	4.02	-101.23
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000421650	1	37	-2.0	-113.16	348.19	3.88	-109.28
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000421651	0	38	-2.0	-115.75	344.99	3.14	-112.61
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000421652	1	46	-2.0	-116.52	379.84	5.69	-110.83
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000421653	1	37	-2.0	-108.75	344.55	3.79	-104.96
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000421654	0	43	-2.0	-110.44	360.90	4.92	-105.52
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000421655	0	38	-2.0	-115.52	355.00	3.45	-112.07
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000421656	1	37	-2.0	-104.77	335.53	3.49	-101.28
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000421657	0	39	-2.0	-106.56	358.71	5.04	-101.52
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000421658	1	37	-2.0	-111.64	334.64	3.64	-108.00
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000421659	0	36	-2.0	-122.50	339.20	4.69	-117.81
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000421660	0	34	-2.0	-120.46	319.12	2.87	-117.59
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000421661	0	37	-2.0	-107.04	335.85	3.39	-103.65
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000421662	0	40	-2.0	-124.23	356.50	4.96	-119.27
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000421663	0	33	-2.0	-113.77	310.90	0.94	-112.83
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(C)=O	REAL300000421664	0	38	-2.0	-106.92	343.67	2.63	-104.29
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000421665	0	31	-2.0	-102.90	317.08	1.89	-101.01
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000421666	1	41	-2.0	-109.12	361.58	4.73	-104.39
CC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000421667	0	41	-2.0	-113.20	358.77	4.68	-108.52
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(C)=O)C=C(C(=O)[O-])O1	REAL300000421668	0	37	-2.0	-107.63	335.27	2.90	-104.73
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421669	1	46	-2.0	-104.27	396.73	8.51	-95.76
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421670	1	43	-2.0	-104.19	381.26	7.72	-96.47
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1)C(=O)[O-]	REAL300000421673	0	37	-2.0	-108.43	334.98	7.35	-101.08
CC(CC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421674	0	40	-2.0	-96.97	365.84	6.63	-90.34
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1)C(=O)[O-]	REAL300000421675	0	36	-2.0	-92.13	337.52	5.68	-86.45
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=C1)C(=O)[O-]	REAL300000421676	1	38	-2.0	-97.77	346.51	7.44	-90.33
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C=C1)C(=O)[O-]	REAL300000421677	1	38	-2.0	-94.26	347.28	7.47	-86.79
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1)C(=O)[O-]	REAL300000421678	0	37	-2.0	-97.61	347.93	7.64	-89.97
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=C1)C(=O)[O-]	REAL300000421679	0	38	-2.0	-107.83	343.81	7.33	-100.50
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C=C1)C(=O)[O-]	REAL300000421680	0	37	-2.0	-101.12	342.14	7.74	-93.38
CC(CC1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421681	0	40	-2.0	-112.52	366.17	7.54	-104.98
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421681	1	39	-3.0	-164.63	359.48	7.66	-156.97
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1)C(=O)[O-]	REAL300000421683	1	46	-2.0	-99.76	389.30	7.01	-92.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000421684	1	42	-2.0	-99.12	373.37	8.37	-90.75
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421685	0	40	-2.0	-97.37	341.83	4.89	-92.48
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1)C(=O)[O-]	REAL300000421686	1	40	-2.0	-93.40	364.40	8.05	-85.35
CC(CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000421688	0	40	-2.0	-100.04	361.36	7.53	-92.51
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421689	0	45	-2.0	-108.82	383.43	6.13	-102.69
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1OC	REAL300000421690	1	45	-2.0	-99.53	384.39	6.25	-93.28
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421692	0	39	-2.0	-91.79	338.75	6.01	-85.78
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000421693	1	37	-2.0	-92.39	357.59	8.02	-84.37
CC(CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421694	0	40	-2.0	-110.64	360.85	7.48	-103.16
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421694	1	39	-3.0	-167.35	354.13	7.60	-159.75
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1)C(=O)[O-]	REAL300000421695	1	37	-2.0	-92.01	339.18	7.19	-84.82
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000421696	0	37	-2.0	-97.35	355.56	8.14	-89.21
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300000421697	1	40	-2.0	-97.58	365.22	8.07	-89.51
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421698	1	40	-2.0	-102.15	347.88	7.74	-94.41
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C1)C(=O)[O-]	REAL300000421700	0	40	-2.0	-103.92	352.38	8.47	-95.45
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300000421701	1	37	-2.0	-97.98	343.21	7.59	-90.39
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000421702	1	42	-2.0	-99.62	366.12	7.45	-92.17
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421703	1	43	-2.0	-101.77	362.59	8.49	-93.28
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000421705	1	37	-2.0	-91.81	348.26	7.61	-84.20
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421706	1	42	-2.0	-110.76	369.25	7.55	-103.21
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421708	0	43	-2.0	-112.58	370.90	8.44	-104.14
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000421709	1	46	-2.0	-95.76	402.28	8.64	-87.12
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C1)C(=O)[O-]	REAL300000421710	0	37	-2.0	-99.33	354.78	8.09	-91.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000421711	1	43	-2.0	-99.32	381.99	7.82	-91.50
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)C=C1)C(=O)[O-]	REAL300000421712	1	49	-2.0	-100.37	401.86	9.37	-91.00
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000421714	1	49	-2.0	-100.57	405.15	9.66	-90.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421715	0	43	-3.0	-173.35	383.11	7.44	-165.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421715	1	44	-2.0	-109.22	385.09	7.34	-101.88
CC(CC1=CC=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000421716	0	44	-2.0	-100.24	388.32	8.88	-91.36
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000421716	1	43	-3.0	-153.83	386.38	8.94	-144.89
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000421717	0	37	-2.0	-101.58	349.27	8.37	-93.21
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1)C(=O)[O-]	REAL300000421718	0	34	-2.0	-94.17	335.49	6.70	-87.47
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421720	0	41	-2.0	-107.43	353.94	6.85	-100.58
CC1=CC=C(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000421721	0	43	-2.0	-98.43	373.32	8.12	-90.31
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1)C(=O)[O-]	REAL300000421722	0	37	-2.0	-96.08	344.59	7.26	-88.82
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300000421723	1	37	-2.0	-92.78	359.13	8.07	-84.71
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000421724	0	37	-2.0	-101.85	338.80	7.61	-94.24
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C=C1)C(=O)[O-]	REAL300000421725	1	37	-2.0	-97.89	347.78	7.70	-90.19
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421726	1	39	-2.0	-98.39	354.70	7.74	-90.65
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421727	1	42	-2.0	-98.35	370.22	8.53	-89.82
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421728	1	39	-2.0	-92.89	367.15	8.12	-84.77
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300000421729	0	34	-2.0	-99.22	317.63	6.06	-93.16
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000421731	0	39	-2.0	-111.69	347.60	8.50	-103.19
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000421732	0	39	-3.0	-163.49	368.04	8.21	-155.28
CC(CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000421732	1	40	-2.0	-102.78	370.69	8.18	-94.60
CC(CC1=CC=C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421733	0	40	-2.0	-108.79	374.14	7.90	-100.89
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421733	1	39	-3.0	-163.26	367.45	8.02	-155.24
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1)C(=O)[O-]	REAL300000421736	0	37	-2.0	-97.30	338.42	7.21	-90.09
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300000421737	1	37	-2.0	-98.20	332.89	7.14	-91.06
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1)C(=O)[O-]	REAL300000421738	0	37	-2.0	-92.51	339.29	7.21	-85.30
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1)C(=O)[O-]	REAL300000421740	1	43	-2.0	-101.32	370.15	6.20	-95.12
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421742	1	52	-2.0	-102.62	417.39	10.15	-92.47
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300000421743	1	37	-2.0	-94.82	342.38	7.56	-87.26
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300000421744	1	37	-2.0	-94.77	346.95	7.67	-87.10
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000421745	0	39	-2.0	-90.46	354.70	7.74	-82.72
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300000421746	1	37	-2.0	-101.54	326.46	7.07	-94.47
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000421747	1	44	-2.0	-106.34	382.01	5.93	-100.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300000421748	0	37	-2.0	-100.18	339.49	6.85	-93.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C	REAL300000421749	0	46	-2.0	-112.50	389.19	8.89	-103.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C	REAL300000421749	1	45	-3.0	-170.13	386.55	8.92	-161.21
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421750	0	41	-2.0	-100.98	371.47	7.38	-93.60
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000421751	0	39	-2.0	-103.04	361.78	8.98	-94.06
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1)C(=O)[O-]	REAL300000421752	0	39	-3.0	-164.96	360.45	7.70	-157.26
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=C1)C(=O)[O-]	REAL300000421753	0	34	-2.0	-92.88	348.54	7.20	-85.68
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421755	1	42	-2.0	-96.08	366.32	8.45	-87.63
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1)C(=O)[O-]	REAL300000421756	0	37	-2.0	-100.55	338.42	7.21	-93.34
CC(CC1=CC=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000421757	0	46	-2.0	-98.21	400.43	9.17	-89.04
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000421757	1	45	-3.0	-152.87	397.69	9.19	-143.68
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000421758	1	47	-2.0	-106.40	403.12	6.78	-99.62
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1)C(=O)[O-]	REAL300000421759	1	41	-2.0	-96.90	361.41	3.87	-93.03
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000421760	1	41	-2.0	-99.10	366.66	8.09	-91.01
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1)C(=O)[O-]	REAL300000421761	1	42	-2.0	-97.85	367.71	5.51	-92.34
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=C1)C(=O)[O-]	REAL300000421762	1	45	-2.0	-98.86	385.50	6.23	-92.63
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1)C(=O)[O-]	REAL300000421764	0	36	-3.0	-160.82	347.34	6.63	-154.19
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1)C(=O)[O-]	REAL300000421765	1	40	-2.0	-96.79	358.22	4.58	-92.21
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421767	0	43	-2.0	-111.64	373.16	8.38	-103.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421767	1	42	-3.0	-168.23	369.59	8.40	-159.83
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421768	0	43	-2.0	-99.87	363.18	6.11	-93.76
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C	REAL300000421769	1	45	-2.0	-97.96	387.22	9.06	-88.90
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000421770	1	43	-2.0	-96.14	380.42	7.72	-88.42
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000421771	1	44	-2.0	-100.25	382.09	5.33	-94.92
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C=C1)C(=O)[O-]	REAL300000421772	1	42	-2.0	-101.44	379.90	2.00	-99.44
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421773	0	46	-2.0	-110.09	398.74	8.78	-101.31
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C=C1)C(=O)[O-]	REAL300000421774	1	41	-2.0	-100.31	360.17	3.83	-96.48
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1)C(=O)[O-]	REAL300000421776	1	43	-2.0	-103.50	371.62	9.32	-94.18
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=CS1	REAL300000421777	0	40	-2.0	-109.74	366.06	7.39	-102.35
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000421778	1	47	-2.0	-99.77	402.22	7.56	-92.21
CC(CC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000421780	0	44	-2.0	-99.22	387.89	7.87	-91.35
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300000421782	1	37	-2.0	-94.25	332.06	7.11	-87.14
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1)C(=O)[O-]	REAL300000421783	0	37	-2.0	-105.11	331.16	7.11	-98.00
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C1)C(=O)[O-]	REAL300000421784	1	42	-2.0	-97.46	368.86	7.59	-89.87
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421785	0	43	-2.0	-113.56	379.37	5.65	-107.91
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(CC(C)C(=O)[O-])C=C3)=C2N=C1	REAL300000421786	0	45	-2.0	-116.11	387.83	8.35	-107.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(Cl)=C1	REAL300000421788	0	40	-2.0	-101.61	360.24	8.28	-93.33
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C=C1)C(=O)[O-]	REAL300000421789	1	43	-2.0	-97.88	377.22	4.31	-93.57
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C=C1)C(=O)[O-]	REAL300000421790	1	42	-2.0	-105.06	380.66	2.03	-103.03
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)C=C1)C(=O)[O-]	REAL300000421791	1	45	-2.0	-98.11	388.98	7.50	-90.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C([N+](=O)[O-])=C1	REAL300000421792	0	43	-2.0	-107.13	374.52	7.75	-99.38
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C=C1)C(=O)[O-]	REAL300000421793	1	42	-2.0	-95.58	374.31	8.58	-87.00
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)C=C1)C(=O)[O-]	REAL300000421794	1	43	-2.0	-98.50	380.60	7.04	-91.46
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C=C1)C(=O)[O-]	REAL300000421795	1	43	-2.0	-105.07	386.35	4.57	-100.50
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300000421797	1	47	-2.0	-102.85	395.58	10.93	-91.92
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1)C(=O)[O-]	REAL300000421798	0	37	-2.0	-94.31	345.23	7.69	-86.62
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000421799	0	44	-2.0	-111.38	388.07	6.04	-105.34
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C=C1)C(=O)[O-]	REAL300000421800	1	43	-2.0	-109.50	386.30	4.58	-104.92
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1OC	REAL300000421802	0	45	-2.0	-101.58	390.69	6.34	-95.24
CC(CC1=CC=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421804	0	41	-2.0	-99.23	367.39	6.83	-92.40
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421804	1	40	-3.0	-165.46	361.58	7.00	-158.46
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C=C1)C(=O)[O-]	REAL300000421805	0	37	-2.0	-107.15	343.18	6.63	-100.52
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C=C1)C(=O)[O-]	REAL300000421806	0	42	-2.0	-99.18	367.88	3.21	-95.97
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421807	0	44	-2.0	-112.27	381.11	6.40	-105.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1Cl	REAL300000421809	1	41	-2.0	-97.63	371.99	6.93	-90.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1F	REAL300000421810	1	41	-2.0	-97.55	362.19	6.45	-91.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C(N)=O	REAL300000421813	1	44	-2.0	-96.25	376.26	4.51	-91.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C(N)=O	REAL300000421814	1	45	-2.0	-98.27	388.29	4.46	-93.81
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2)C=C1)C(=O)[O-]	REAL300000421815	0	37	-2.0	-98.54	331.03	4.79	-93.75
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421816	1	42	-2.0	-89.90	369.40	8.50	-81.40
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CN1C	REAL300000421818	0	45	-2.0	-100.00	390.67	4.73	-95.27
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421819	1	40	-2.0	-98.03	358.72	8.37	-89.66
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(CC(C)C(=O)[O-])C=C3)C=N2)C=C1	REAL300000421821	0	47	-2.0	-100.17	407.58	8.84	-91.33
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421824	0	39	-3.0	-157.29	364.05	7.32	-149.97
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000421825	1	38	-2.0	-91.04	361.88	7.86	-83.18
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C=C1)C(=O)[O-]	REAL300000421826	1	38	-2.0	-91.95	362.69	7.89	-84.06
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000421827	0	46	-2.0	-110.96	387.46	8.96	-102.00
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1)C(=O)[O-]	REAL300000421828	1	41	-2.0	-105.68	364.85	7.45	-98.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1Cl	REAL300000421829	1	40	-2.0	-98.42	361.14	8.15	-90.27
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1)C(=O)[O-]	REAL300000421830	0	37	-2.0	-102.34	348.15	7.63	-94.71
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421832	0	43	-2.0	-95.76	382.95	7.53	-88.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000421833	1	47	-2.0	-106.17	395.88	8.74	-97.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1F	REAL300000421834	1	40	-2.0	-98.36	352.40	7.75	-90.61
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421835	1	40	-2.0	-94.78	357.91	8.34	-86.44
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421836	0	40	-2.0	-105.64	353.42	7.81	-97.83
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421837	1	40	-2.0	-98.21	348.39	7.92	-90.29
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)C=C1)C(=O)[O-]	REAL300000421838	1	43	-2.0	-99.91	386.51	9.14	-90.77
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421839	0	42	-2.0	-111.90	359.30	9.30	-102.60
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C=C1)C(=O)[O-]	REAL300000421840	1	47	-2.0	-110.42	397.80	6.90	-103.52
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421841	0	45	-2.0	-116.32	387.77	8.36	-107.96
CC(CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421842	0	36	-3.0	-163.65	345.72	6.65	-157.00
CC(CC1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421842	1	37	-2.0	-99.37	349.23	6.64	-92.73
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C=C1)C(=O)[O-]	REAL300000421843	0	39	-2.0	-90.31	367.86	8.32	-81.99
COC1=CC=C(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000421844	0	44	-2.0	-116.95	388.11	7.55	-109.40
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C2=CC=CN=C2C=C1	REAL300000421845	1	45	-2.0	-101.39	375.74	8.43	-92.96
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1O	REAL300000421846	1	44	-2.0	-97.98	390.07	5.76	-92.22
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000421847	0	39	-2.0	-105.40	350.64	8.50	-96.90
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=C1)C(=O)[O-]	REAL300000421848	1	47	-2.0	-101.55	400.65	10.50	-91.05
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000421849	0	39	-2.0	-108.61	359.82	8.45	-100.16
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421850	0	46	-2.0	-109.94	406.50	5.59	-104.35
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421853	0	41	-2.0	-103.64	356.88	5.42	-98.22
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421853	1	41	-2.0	-94.14	356.88	6.21	-87.93
CC(CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1)C(=O)[O-]	REAL300000421854	0	34	-2.0	-96.02	308.05	3.47	-92.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421855	0	46	-2.0	-110.83	387.34	8.85	-101.98
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421855	1	45	-3.0	-166.96	384.30	9.33	-157.63
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C1)C(=O)[O-]	REAL300000421856	0	40	-2.0	-104.53	365.99	7.98	-96.55
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300000421857	0	40	-2.0	-94.83	374.38	6.85	-87.98
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C	REAL300000421858	0	45	-2.0	-110.95	382.62	9.64	-101.31
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1)C(=O)[O-]	REAL300000421859	1	41	-2.0	-93.80	363.49	7.41	-86.39
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1)C(=O)[O-]	REAL300000421860	0	37	-2.0	-98.61	341.37	7.42	-91.19
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000421861	0	39	-3.0	-159.79	357.17	6.75	-153.04
CC1=C(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000421861	1	40	-2.0	-107.64	360.92	6.72	-100.92
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1)C(=O)[O-]	REAL300000421862	0	40	-2.0	-121.14	354.66	6.28	-114.86
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421863	0	43	-2.0	-105.48	385.96	7.76	-97.72
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421864	0	47	-2.0	-108.93	397.22	8.43	-100.50
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000421865	0	39	-2.0	-111.55	356.53	9.16	-102.39
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1)C(=O)[O-]	REAL300000421866	1	42	-2.0	-110.46	373.95	7.22	-103.24
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C=C1)C(=O)[O-]	REAL300000421867	0	36	-2.0	-92.75	342.80	5.87	-86.88
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000421868	0	39	-2.0	-115.04	348.36	8.58	-106.46
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421869	0	43	-3.0	-170.14	383.94	6.73	-163.41
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421869	1	44	-2.0	-102.57	385.85	6.67	-95.90
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1)C(=O)[O-]	REAL300000421870	0	44	-2.0	-99.67	387.05	8.19	-91.48
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C=C1)C(=O)[O-]	REAL300000421871	0	47	-2.0	-98.71	411.64	8.61	-90.10
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1)C(=O)[O-]	REAL300000421872	0	36	-2.0	-92.25	327.09	5.31	-86.94
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421873	0	40	-2.0	-99.77	374.56	6.74	-93.03
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421874	1	45	-2.0	-96.82	384.14	9.44	-87.38
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1)C(=O)[O-]	REAL300000421875	1	42	-2.0	-102.03	361.86	7.49	-94.54
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C1)C(=O)[O-]	REAL300000421876	0	36	-2.0	-93.50	351.63	6.21	-87.29
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C=N2)C=C1)C(=O)[O-]	REAL300000421877	0	37	-2.0	-109.89	330.44	6.17	-103.72
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(CC(C)C(=O)[O-])C=C3)C=C12	REAL300000421879	1	45	-2.0	-96.78	391.92	6.78	-90.00
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(CC(C)C(=O)[O-])C=C3)C=C12	REAL300000421880	0	41	-2.0	-93.34	365.36	4.02	-89.32
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=C1)C(=O)[O-]	REAL300000421881	0	37	-2.0	-91.22	342.42	5.60	-85.62
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1)C(=O)[O-]	REAL300000421883	0	37	-2.0	-102.89	337.45	7.17	-95.72
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000421884	0	41	-2.0	-103.31	363.64	6.62	-96.69
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000421885	0	39	-2.0	-105.36	360.97	8.95	-96.41
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421886	0	43	-2.0	-104.47	374.43	8.00	-96.47
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421886	1	42	-3.0	-158.68	375.64	8.46	-150.22
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1)C(=O)[O-]	REAL300000421887	0	43	-2.0	-106.59	369.61	6.72	-99.87
CC1=NC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CN1C	REAL300000421888	0	40	-2.0	-109.54	349.20	5.94	-103.60
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1)C(=O)[O-]	REAL300000421889	0	41	-2.0	-103.53	364.50	7.12	-96.41
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421890	1	46	-2.0	-103.50	402.32	8.64	-94.86
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=N1	REAL300000421891	0	40	-2.0	-98.67	352.56	5.65	-93.02
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421892	1	44	-2.0	-103.14	381.54	6.79	-96.35
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421893	0	43	-2.0	-107.78	378.13	8.54	-99.24
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C=C1)C(=O)[O-]	REAL300000421894	0	37	-2.0	-100.22	357.75	7.16	-93.06
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1)C(=O)[O-]	REAL300000421895	1	42	-2.0	-100.81	361.58	6.35	-94.46
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000421896	0	37	-2.0	-97.36	345.23	7.69	-89.67
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=C1)C(=O)[O-]	REAL300000421899	1	41	-2.0	-94.99	370.77	3.93	-91.06
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421900	0	37	-2.0	-96.19	326.11	4.09	-92.10
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421901	1	41	-2.0	-103.04	355.98	6.37	-96.67
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421902	1	40	-2.0	-100.99	341.18	7.83	-93.16
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300000421903	0	43	-2.0	-104.38	388.13	5.30	-99.08
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300000421903	1	42	-3.0	-160.88	384.82	4.18	-156.70
CC(CC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2)C=C1)C(=O)[O-]	REAL300000421904	0	37	-2.0	-106.59	331.32	4.61	-101.98
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C)C=C1)C(=O)[O-]	REAL300000421905	0	37	-2.0	-93.32	325.94	4.68	-88.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000421911	0	40	-2.0	-104.96	353.42	7.82	-97.14
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1F	REAL300000421912	1	40	-2.0	-95.14	353.20	7.77	-87.37
CC(CC1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1)C(=O)[O-]	REAL300000421913	0	34	-2.0	-108.46	307.72	4.47	-103.99
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)O1	REAL300000421914	0	40	-2.0	-96.18	365.15	5.84	-90.34
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1)C(=O)[O-]	REAL300000421915	0	42	-2.0	-116.17	366.43	7.71	-108.46
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1)C(=O)[O-]	REAL300000421916	0	37	-2.0	-92.89	344.67	7.26	-85.63
CC1=C(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])S1	REAL300000421917	0	40	-2.0	-109.76	366.50	7.51	-102.25
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])S1	REAL300000421917	1	39	-3.0	-164.04	362.76	7.50	-156.54
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C	REAL300000421918	1	46	-2.0	-102.69	391.38	8.37	-94.32
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421919	0	41	-2.0	-102.51	368.30	6.92	-95.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CN=C1Cl	REAL300000421920	0	39	-2.0	-94.44	357.07	6.30	-88.14
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421921	0	43	-2.0	-108.76	383.82	4.64	-104.12
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000421923	1	46	-2.0	-106.15	402.61	8.49	-97.66
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421925	0	49	-2.0	-99.73	404.84	7.66	-92.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)SC=C1	REAL300000421926	0	37	-2.0	-101.64	336.43	6.68	-94.96
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C	REAL300000421927	0	46	-2.0	-99.94	384.99	6.98	-92.96
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C	REAL300000421928	1	46	-2.0	-96.71	397.29	8.27	-88.44
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1[N+](=O)[O-]	REAL300000421929	0	42	-2.0	-90.95	370.69	8.26	-82.69
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C1)C(=O)[O-]	REAL300000421932	1	45	-2.0	-112.09	385.24	5.50	-106.59
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421933	1	41	-2.0	-97.98	362.77	8.25	-89.73
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1F	REAL300000421934	1	44	-2.0	-107.71	386.59	6.06	-101.65
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000421935	0	42	-2.0	-99.59	375.37	8.31	-91.28
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C=C1)C(=O)[O-]	REAL300000421936	1	49	-2.0	-98.68	377.86	9.74	-88.94
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1C	REAL300000421937	1	47	-2.0	-117.79	401.37	6.86	-110.93
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421938	0	41	-2.0	-102.74	364.12	7.55	-95.19
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421939	1	41	-2.0	-94.06	362.72	8.25	-85.81
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421940	1	49	-2.0	-101.72	390.39	10.27	-91.45
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C=C1)C(=O)[O-]	REAL300000421942	0	38	-2.0	-97.00	352.81	7.54	-89.46
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(CC(C)C(=O)[O-])C=C3)C=C2O1	REAL300000421943	1	42	-2.0	-99.16	370.13	4.74	-94.42
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=N1	REAL300000421944	0	43	-2.0	-98.06	370.44	6.14	-91.92
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300000421945	0	42	-2.0	-102.07	364.80	3.40	-98.67
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1)C(=O)[O-]	REAL300000421946	1	42	-2.0	-101.27	366.65	7.44	-93.83
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=N1	REAL300000421947	0	43	-2.0	-104.23	385.83	5.85	-98.38
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CN1	REAL300000421948	0	43	-2.0	-106.91	369.46	5.49	-101.42
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000421949	0	40	-2.0	-101.75	364.97	8.81	-92.94
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1)C(=O)[O-]	REAL300000421953	1	37	-2.0	-86.98	344.66	7.23	-79.75
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000421954	1	48	-2.0	-98.38	408.28	8.89	-89.49
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CN1C	REAL300000421956	0	44	-2.0	-103.65	386.82	7.15	-96.50
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000421957	1	52	-2.0	-100.66	416.89	9.86	-90.80
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1)C(=O)[O-]	REAL300000421958	0	39	-3.0	-152.08	368.02	8.20	-143.88
CC(CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1)C(=O)[O-]	REAL300000421958	1	40	-2.0	-96.19	369.86	8.15	-88.04
CC(CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1)C(=O)[O-]	REAL300000421959	0	40	-2.0	-102.55	365.11	7.53	-95.02
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1)C(=O)[O-]	REAL300000421959	1	39	-3.0	-153.35	359.48	7.68	-145.67
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000421960	1	47	-2.0	-107.03	403.90	7.70	-99.33
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1)C(=O)[O-]	REAL300000421962	0	36	-3.0	-155.58	346.43	6.74	-148.84
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421963	0	46	-2.0	-109.26	390.16	8.30	-100.96
CC(CC1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421964	0	40	-2.0	-96.07	367.91	7.58	-88.49
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421964	1	39	-3.0	-158.13	361.35	7.71	-150.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1F	REAL300000421965	0	42	-3.0	-166.17	379.92	8.32	-157.85
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CN1	REAL300000421966	0	41	-2.0	-101.20	369.87	5.43	-95.77
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1)C(=O)[O-]	REAL300000421967	0	39	-3.0	-153.39	359.63	7.68	-145.71
CC(CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1)C(=O)[O-]	REAL300000421967	1	40	-2.0	-96.36	363.18	7.67	-88.69
CC(CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000421968	0	40	-2.0	-98.75	373.07	7.89	-90.86
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000421968	1	39	-3.0	-151.63	367.45	8.04	-143.59
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421969	1	40	-2.0	-97.22	346.50	7.86	-89.36
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1C	REAL300000421970	1	46	-2.0	-98.76	397.31	8.25	-90.51
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CS1	REAL300000421971	0	40	-2.0	-99.99	373.75	6.77	-93.22
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1F	REAL300000421972	1	43	-2.0	-93.85	384.99	7.73	-86.12
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300000421973	0	39	-2.0	-97.70	350.92	5.63	-92.07
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C=C1)C(=O)[O-]	REAL300000421974	1	41	-2.0	-106.20	367.90	8.22	-97.98
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000421975	1	45	-2.0	-88.92	383.71	9.39	-79.53
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1[O-]	REAL300000421976	1	45	-2.0	-96.86	395.68	3.87	-92.99
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421979	1	43	-2.0	-102.31	369.38	8.50	-93.81
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421980	1	40	-2.0	-98.34	354.30	7.81	-90.53
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421982	0	43	-2.0	-96.16	383.59	6.50	-89.66
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=C1)C(=O)[O-]	REAL300000421983	1	43	-2.0	-97.25	377.05	6.11	-91.14
CC(CC1=CC=C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421984	0	40	-2.0	-97.09	371.66	7.57	-89.52
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421984	1	39	-3.0	-156.23	364.96	7.71	-148.52
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C(F)C=C1F	REAL300000421986	0	40	-2.0	-97.16	357.85	7.81	-89.35
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300000421987	1	43	-2.0	-108.46	366.70	9.37	-99.09
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1)C(=O)[O-]	REAL300000421988	0	39	-2.0	-98.25	357.66	6.53	-91.72
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1)C(=O)[O-]	REAL300000421989	0	40	-3.0	-167.13	363.88	5.33	-161.80
CC(CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1)C(=O)[O-]	REAL300000421989	1	40	-3.0	-167.70	363.88	6.13	-161.57
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1)C(=O)[O-]	REAL300000421990	1	47	-2.0	-104.34	380.99	9.68	-94.66
CC(CC1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000421991	0	43	-2.0	-98.37	379.03	8.37	-90.00
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000421991	1	42	-3.0	-158.21	377.10	8.42	-149.79
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)O1	REAL300000421992	0	43	-2.0	-96.33	387.02	6.77	-89.56
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000421993	0	39	-2.0	-90.81	361.10	7.81	-83.00
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000421994	0	42	-2.0	-110.02	380.83	8.06	-101.96
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C=C1)C(=O)[O-]	REAL300000421995	0	40	-2.0	-108.21	368.43	7.76	-100.45
COC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)SC=C1	REAL300000421997	0	38	-2.0	-108.66	347.84	5.33	-103.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)OC2=CC=C(F)C=C12	REAL300000421998	0	43	-2.0	-98.93	380.23	8.36	-90.57
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1)C(=O)[O-]	REAL300000421999	0	40	-2.0	-103.04	356.23	7.47	-95.57
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(CC(C)C(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000422000	0	45	-2.0	-117.71	388.02	8.32	-109.39
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1F	REAL300000422001	0	42	-2.0	-99.06	380.53	8.47	-90.59
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422002	0	39	-2.0	-104.73	358.94	5.79	-98.94
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C=C1)C(=O)[O-]	REAL300000422004	0	37	-2.0	-91.42	341.73	5.97	-85.45
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C=C1)C(=O)[O-]	REAL300000422005	0	37	-2.0	-103.40	345.85	5.88	-97.52
COC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC(OC)=C1	REAL300000422006	1	45	-2.0	-103.67	384.65	5.66	-98.01
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1)C(=O)[O-]	REAL300000422007	0	38	-2.0	-105.34	342.34	5.82	-99.52
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C	REAL300000422008	0	45	-2.0	-111.72	376.74	9.85	-101.87
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C=C1)C(=O)[O-]	REAL300000422009	0	38	-2.0	-92.34	347.92	4.89	-87.45
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300000422010	0	36	-2.0	-97.04	334.22	4.88	-92.16
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422011	1	42	-2.0	-92.01	374.72	8.55	-83.46
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422012	0	43	-2.0	-98.85	363.74	7.84	-91.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422012	1	42	-3.0	-165.73	367.98	8.35	-157.38
CC1=CC(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC(C(=O)[O-])=C1F	REAL300000422014	0	43	-2.0	-101.12	385.67	8.13	-92.99
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC(C(=O)[O-])=C1F	REAL300000422014	1	42	-3.0	-167.02	379.77	8.29	-158.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422015	0	43	-2.0	-102.44	373.14	8.39	-94.05
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422016	0	43	-2.0	-106.49	384.71	8.17	-98.32
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C=C1)C(=O)[O-]	REAL300000422017	0	38	-2.0	-98.26	355.75	7.75	-90.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1F	REAL300000422018	0	40	-2.0	-100.34	358.70	7.85	-92.49
COC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1[N+](=O)[O-]	REAL300000422019	0	43	-2.0	-90.84	381.18	7.79	-83.05
CC1=CC(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC(C(=O)[O-])=C1C	REAL300000422020	0	46	-2.0	-98.27	393.73	8.54	-89.73
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=C1)C(=O)[O-]	REAL300000422021	0	40	-2.0	-97.63	371.00	8.55	-89.08
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1)C(=O)[O-]	REAL300000422024	0	39	-3.0	-156.02	365.92	7.74	-148.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC([N+](=O)[O-])=C1F	REAL300000422025	1	42	-2.0	-92.11	379.52	8.40	-83.71
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C1)C(=O)[O-]	REAL300000422026	0	36	-2.0	-98.33	345.44	6.53	-91.80
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422027	0	43	-2.0	-107.87	371.92	7.46	-100.41
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=N1	REAL300000422028	0	42	-2.0	-93.10	377.21	5.91	-87.19
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=C1)C(=O)[O-]	REAL300000422029	0	36	-2.0	-90.64	351.11	6.23	-84.41
CC1=CC=C(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C(C)=C1C(=O)[O-]	REAL300000422030	0	46	-2.0	-102.28	390.73	9.03	-93.25
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000422031	0	42	-3.0	-166.31	376.45	8.24	-158.07
CC1=CC(F)=C(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000422031	1	43	-2.0	-101.83	378.21	8.19	-93.64
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422032	0	42	-3.0	-174.07	379.98	8.33	-165.74
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422033	1	45	-2.0	-110.60	389.57	8.34	-102.26
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=N1	REAL300000422034	0	44	-2.0	-96.60	385.42	4.67	-91.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C([N+](=O)[O-])=N1	REAL300000422035	0	42	-2.0	-105.57	376.82	7.91	-97.66
CCC1=CC=C(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000422036	0	46	-2.0	-111.78	391.82	8.79	-102.99
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=C1)C(=O)[O-]	REAL300000422037	0	48	-2.0	-98.28	402.83	5.59	-92.69
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C#N	REAL300000422040	0	41	-2.0	-108.99	363.73	7.87	-101.12
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422041	0	43	-2.0	-99.24	378.20	7.53	-91.71
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C=C1)C(=O)[O-]	REAL300000422042	0	46	-2.0	-100.83	399.50	8.73	-92.10
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422043	0	43	-2.0	-107.81	373.80	7.83	-99.98
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1)C(=O)[O-]	REAL300000422044	0	45	-2.0	-97.93	383.67	4.80	-93.13
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1F	REAL300000422046	0	40	-2.0	-106.31	352.29	7.79	-98.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=N1	REAL300000422047	1	43	-2.0	-94.37	374.70	4.67	-89.70
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1)C(=O)[O-]	REAL300000422048	0	44	-2.0	-110.27	371.46	7.08	-103.19
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000422049	1	44	-2.0	-100.72	380.73	6.78	-93.94
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422050	0	42	-2.0	-104.31	364.96	4.04	-100.27
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1Cl	REAL300000422051	0	40	-2.0	-102.66	357.53	8.19	-94.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C(C)O1	REAL300000422053	0	40	-2.0	-99.41	349.45	6.66	-92.75
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C=C1)C(=O)[O-]	REAL300000422054	0	43	-2.0	-105.70	372.77	4.76	-100.94
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422056	1	44	-2.0	-99.70	372.26	7.08	-92.62
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C(C(=O)OC)O1	REAL300000422057	0	46	-2.0	-95.76	403.47	7.49	-88.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)O1	REAL300000422059	0	37	-2.0	-101.91	331.02	5.89	-96.02
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422060	0	40	-2.0	-101.16	359.32	7.46	-93.70
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1)C(=O)[O-]	REAL300000422061	1	40	-2.0	-97.87	352.52	5.74	-92.13
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C2=NC=CC=C2C=C1	REAL300000422062	0	45	-2.0	-115.94	379.30	8.86	-107.08
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1)C(=O)[O-]	REAL300000422063	0	43	-2.0	-109.92	375.74	9.08	-100.84
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422064	0	43	-2.0	-103.89	377.33	8.51	-95.38
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1)C(=O)[O-]	REAL300000422065	0	39	-2.0	-88.69	358.41	7.74	-80.95
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300000422066	1	37	-2.0	-92.79	349.62	7.66	-85.13
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C(C)O1	REAL300000422067	0	43	-2.0	-95.66	383.53	6.61	-89.05
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300000422068	0	36	-2.0	-92.81	338.24	5.76	-87.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)N=C1C	REAL300000422069	0	43	-2.0	-109.66	372.03	6.88	-102.78
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422070	0	40	-2.0	-102.49	361.05	8.31	-94.18
CCN1C=C(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000422071	0	44	-2.0	-99.11	388.55	7.69	-91.42
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000422071	1	43	-3.0	-166.87	382.96	7.86	-159.01
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422072	0	40	-2.0	-100.82	366.31	5.82	-95.00
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422073	0	49	-2.0	-100.40	401.82	7.62	-92.78
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CN1C	REAL300000422074	0	47	-2.0	-103.28	409.51	8.10	-95.18
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422075	1	45	-2.0	-95.86	388.54	9.15	-86.71
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000422076	0	37	-2.0	-104.86	341.74	7.84	-97.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(Cl)=N1	REAL300000422077	0	39	-2.0	-99.77	355.56	6.37	-93.40
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422078	0	42	-2.0	-99.63	375.52	7.27	-92.36
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1Cl	REAL300000422079	1	41	-2.0	-97.11	380.87	8.52	-88.59
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300000422080	0	39	-2.0	-97.04	356.52	5.66	-91.38
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(CC(C)C(=O)[O-])C=C3)C=C12	REAL300000422081	0	44	-2.0	-92.64	386.84	4.76	-87.88
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300000422082	0	39	-2.0	-95.63	364.60	7.41	-88.22
COC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CN=C1Cl	REAL300000422084	0	40	-2.0	-92.71	367.27	5.03	-87.68
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=C1)C(=O)[O-]	REAL300000422085	0	39	-2.0	-91.13	361.22	6.31	-84.82
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422086	1	43	-2.0	-97.35	386.86	7.78	-89.57
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422087	0	52	-2.0	-99.78	418.45	8.07	-91.71
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(C)=C1F	REAL300000422088	1	44	-2.0	-97.19	376.60	7.19	-90.00
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C=C1)C(=O)[O-]	REAL300000422089	0	38	-2.0	-94.35	360.40	8.04	-86.31
CC(CC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1)C(=O)[O-]	REAL300000422090	0	40	-2.0	-109.10	353.62	7.37	-101.73
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422091	0	42	-2.0	-97.03	375.63	5.91	-91.12
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=C1)C(=O)[O-]	REAL300000422092	0	34	-2.0	-95.95	329.99	5.78	-90.17
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000422093	1	45	-2.0	-99.37	384.95	9.02	-90.35
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422094	0	47	-2.0	-107.54	390.03	8.84	-98.70
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C=C1)C(=O)[O-]	REAL300000422095	0	37	-2.0	-99.02	346.68	7.45	-91.57
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422099	0	37	-2.0	-94.39	354.64	7.27	-87.12
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1)C(=O)[O-]	REAL300000422100	1	40	-2.0	-102.31	358.60	7.95	-94.36
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1)C(=O)[O-]	REAL300000422101	0	40	-2.0	-97.55	365.55	5.93	-91.62
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422102	1	41	-2.0	-106.80	361.79	8.11	-98.69
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C=C1)C(=O)[O-]	REAL300000422103	0	45	-2.0	-95.67	395.92	8.37	-87.30
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422104	1	46	-2.0	-103.26	379.71	9.05	-94.21
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(C)=CS1	REAL300000422105	0	43	-2.0	-109.40	381.70	8.25	-101.15
COC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1F	REAL300000422106	1	41	-2.0	-94.45	362.19	6.45	-88.00
CC(CC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1)C(=O)[O-]	REAL300000422107	0	36	-2.0	-107.23	339.11	7.47	-99.76
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1)C(=O)[O-]	REAL300000422108	0	34	-2.0	-100.85	309.10	5.07	-95.78
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C)C=C1)C(=O)[O-]	REAL300000422109	0	36	-2.0	-89.25	320.94	3.50	-85.75
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C=C1)C(=O)[O-]	REAL300000422110	1	42	-2.0	-96.03	370.83	6.21	-89.82
CC(CC1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000422111	0	36	-2.0	-93.27	346.78	6.82	-86.45
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000422113	1	45	-2.0	-101.95	392.83	5.26	-96.69
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1)C(=O)[O-]	REAL300000422114	0	41	-2.0	-102.50	353.65	6.49	-96.01
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000422115	0	38	-2.0	-97.37	359.61	8.01	-89.36
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C1)C(=O)[O-]	REAL300000422116	0	40	-2.0	-98.25	369.62	6.12	-92.13
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422117	1	43	-2.0	-99.65	355.93	8.77	-90.88
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422118	0	45	-2.0	-113.56	379.64	7.56	-106.00
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422120	0	40	-2.0	-105.38	346.07	8.05	-97.33
CC(CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C=C1)C(=O)[O-]	REAL300000422121	0	41	-2.0	-113.34	364.91	7.15	-106.19
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422122	0	50	-2.0	-100.98	417.53	8.58	-92.40
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(CC(C)C(=O)[O-])C=C3)C=CC=C12	REAL300000422123	0	45	-2.0	-115.97	384.37	8.26	-107.71
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C=C1)C(=O)[O-]	REAL300000422125	1	41	-2.0	-103.76	376.91	4.34	-99.42
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1)C(=O)[O-]	REAL300000422126	0	38	-2.0	-107.23	351.28	5.38	-101.85
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422127	0	40	-2.0	-97.98	351.06	4.54	-93.44
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1)OCO2	REAL300000422129	1	43	-2.0	-97.60	367.19	6.49	-91.11
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422131	0	43	-2.0	-99.76	376.65	8.28	-91.48
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)C=C1)C(=O)[O-]	REAL300000422132	1	47	-2.0	-100.38	397.13	6.94	-93.44
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422133	0	46	-2.0	-113.08	392.77	9.36	-103.72
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300000422135	0	40	-2.0	-104.41	371.16	4.58	-99.83
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300000422135	1	39	-3.0	-160.17	368.15	3.44	-156.73
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1F	REAL300000422136	1	44	-2.0	-101.17	387.37	6.09	-95.08
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C=C1)C(=O)[O-]	REAL300000422137	0	42	-2.0	-102.91	382.44	2.67	-100.24
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C=C1)C(=O)[O-]	REAL300000422138	1	41	-2.0	-103.42	358.54	8.31	-95.11
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C=C1)C(=O)[O-]	REAL300000422139	1	41	-2.0	-106.22	367.95	8.21	-98.01
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C1)C(=O)[O-]	REAL300000422140	0	37	-2.0	-94.86	355.56	8.13	-86.73
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(N)=NO1	REAL300000422142	0	38	-2.0	-91.60	333.20	4.42	-87.18
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422143	0	41	-2.0	-103.69	370.68	7.37	-96.32
CC(CC1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300000422144	0	38	-2.0	-96.70	353.98	5.85	-90.85
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422147	1	44	-2.0	-102.85	370.66	7.13	-95.72
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C=C1)C(=O)[O-]	REAL300000422150	0	35	-2.0	-92.30	338.16	6.60	-85.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=N1	REAL300000422151	0	39	-2.0	-98.31	342.28	5.86	-92.45
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1)C(=O)[O-]	REAL300000422152	0	42	-2.0	-100.99	367.67	7.44	-93.55
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000422153	0	43	-2.0	-99.54	386.76	7.81	-91.73
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1F	REAL300000422154	0	43	-2.0	-95.15	384.97	7.74	-87.41
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1C#N	REAL300000422155	1	41	-2.0	-93.97	366.44	7.97	-86.00
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1)C(=O)[O-]	REAL300000422156	0	36	-2.0	-88.95	344.16	5.76	-83.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000422158	0	41	-2.0	-102.48	361.49	6.44	-96.04
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1[N+](=O)[O-]	REAL300000422159	0	45	-2.0	-111.96	386.44	10.24	-101.72
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1)C(=O)[O-]	REAL300000422161	1	40	-2.0	-99.04	359.83	7.98	-91.06
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=C1)C(=O)[O-]	REAL300000422162	1	47	-2.0	-105.15	400.69	10.49	-94.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)N(C)N=C1	REAL300000422164	0	40	-2.0	-93.65	341.52	5.57	-88.08
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C=C1)C(=O)[O-]	REAL300000422166	0	35	-2.0	-93.99	329.53	5.59	-88.40
CC(CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1)C(=O)[O-]	REAL300000422167	0	34	-2.0	-97.30	316.77	5.96	-91.34
CC(CC1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1)C(=O)[O-]	REAL300000422168	0	34	-2.0	-98.11	309.02	4.96	-93.15
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422169	0	48	-2.0	-109.14	409.03	6.57	-102.57
CC1=CC(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000422170	0	43	-2.0	-101.79	372.72	8.14	-93.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=N1	REAL300000422171	1	40	-2.0	-94.50	352.84	3.74	-90.76
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1)C(=O)[O-]	REAL300000422172	0	37	-2.0	-100.49	348.74	7.66	-92.83
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422174	1	48	-2.0	-100.99	404.23	8.19	-92.80
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422175	0	46	-2.0	-102.51	404.03	9.86	-92.65
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422176	0	46	-2.0	-102.21	399.86	9.57	-92.64
CC(CC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1)C(=O)[O-]	REAL300000422177	0	40	-2.0	-102.48	363.04	8.44	-94.04
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)N(C)N=C1	REAL300000422178	0	46	-2.0	-100.78	396.79	7.05	-93.73
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C=C1)C(=O)[O-]	REAL300000422179	0	48	-2.0	-112.59	404.34	8.28	-104.31
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1)C(=O)[O-]	REAL300000422180	0	40	-2.0	-105.61	353.08	5.71	-99.90
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422181	1	44	-2.0	-102.77	377.02	7.27	-95.50
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1)C(=O)[O-]	REAL300000422182	0	37	-2.0	-101.54	348.01	7.91	-93.63
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(CC(C)C(=O)[O-])C=C3)C=C2C=C1	REAL300000422184	1	46	-2.0	-103.44	393.77	10.00	-93.44
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1)C(=O)[O-]	REAL300000422185	0	34	-2.0	-100.11	333.65	6.50	-93.61
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422186	0	37	-2.0	-99.32	339.26	6.72	-92.60
CC(CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1)C(=O)[O-]	REAL300000422187	0	34	-2.0	-96.73	324.77	3.88	-92.85
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1)C(=O)[O-]	REAL300000422188	0	36	-2.0	-95.61	333.38	5.19	-90.42
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422189	0	46	-2.0	-95.91	390.93	6.12	-89.79
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=N1	REAL300000422190	0	46	-2.0	-94.75	394.84	5.60	-89.15
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1)C(=O)[O-]	REAL300000422192	0	40	-2.0	-97.42	362.65	7.54	-89.88
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422193	0	42	-2.0	-108.84	366.82	6.63	-102.21
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422194	0	36	-2.0	-94.02	334.19	5.35	-88.67
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1)C(=O)[O-]	REAL300000422197	1	44	-2.0	-100.23	374.89	9.18	-91.05
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1)C(=O)[O-]	REAL300000422198	0	34	-2.0	-102.57	323.95	6.09	-96.48
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C=C1)C(=O)[O-]	REAL300000422199	0	40	-2.0	-99.86	364.30	5.90	-93.96
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1)C(=O)[O-]	REAL300000422200	1	46	-2.0	-102.22	391.25	8.68	-93.54
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C=C1)C(=O)[O-]	REAL300000422201	1	38	-2.0	-91.09	352.38	7.49	-83.60
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000422204	0	42	-2.0	-93.14	378.87	8.45	-84.69
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422205	0	43	-2.0	-112.98	377.68	8.41	-104.57
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=C1)C(=O)[O-]	REAL300000422206	0	38	-2.0	-99.49	359.30	6.37	-93.12
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C1)C(=O)[O-]	REAL300000422209	0	37	-2.0	-92.78	359.04	7.27	-85.51
CC(CC1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1)C(=O)[O-]	REAL300000422210	0	34	-2.0	-101.35	308.13	3.66	-97.69
CC(CC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1)C(=O)[O-]	REAL300000422211	0	42	-2.0	-106.09	363.47	3.99	-102.10
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300000422212	0	40	-2.0	-102.60	357.92	7.61	-94.99
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CN=C1C	REAL300000422213	0	45	-2.0	-94.81	392.66	6.42	-88.39
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000422214	0	38	-2.0	-90.58	349.88	5.93	-84.65
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422215	0	39	-2.0	-91.80	353.22	6.44	-85.36
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422216	1	46	-2.0	-107.46	403.43	8.51	-98.95
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=C1)C(=O)[O-]	REAL300000422217	1	39	-2.0	-91.82	366.25	6.95	-84.87
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=NN1C	REAL300000422221	0	40	-2.0	-99.48	347.15	5.32	-94.16
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000422222	1	41	-2.0	-101.07	356.74	8.14	-92.93
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422223	0	40	-2.0	-98.94	349.05	5.41	-93.53
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422224	1	44	-2.0	-98.39	397.47	7.28	-91.11
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=C1)C(=O)[O-]	REAL300000422225	0	37	-2.0	-92.21	342.35	5.67	-86.54
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C=C1)C(=O)[O-]	REAL300000422227	1	42	-2.0	-98.12	372.10	4.25	-93.87
CC(CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1)C(=O)[O-]	REAL300000422229	0	37	-2.0	-97.41	342.18	4.61	-92.80
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300000422230	0	43	-2.0	-94.95	372.80	7.00	-87.95
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C=C1)C(=O)[O-]	REAL300000422232	1	44	-2.0	-105.72	381.64	6.79	-98.93
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C=C1)C(=O)[O-]	REAL300000422233	0	40	-2.0	-97.01	362.92	4.62	-92.39
COC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1Cl	REAL300000422234	1	41	-2.0	-95.00	372.00	6.93	-88.07
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C=C1)C(=O)[O-]	REAL300000422235	0	41	-2.0	-109.35	377.29	3.69	-105.66
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1)C(=O)[O-]	REAL300000422236	0	39	-3.0	-172.98	357.77	7.64	-165.34
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C1)C(=O)[O-]	REAL300000422237	0	34	-2.0	-103.98	325.02	5.06	-98.92
CC(CC1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1)C(=O)[O-]	REAL300000422238	0	39	-2.0	-111.08	357.66	6.49	-104.59
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1)C(=O)[O-]	REAL300000422239	1	42	-2.0	-103.44	362.28	6.92	-96.52
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C1)C(=O)[O-]	REAL300000422241	0	43	-2.0	-108.03	376.21	9.36	-98.67
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C=C1)C(=O)[O-]	REAL300000422242	0	40	-2.0	-104.17	366.68	6.15	-98.02
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422243	0	40	-2.0	-101.50	352.78	8.55	-92.95
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1)C(=O)[O-]	REAL300000422244	0	42	-2.0	-110.35	362.82	6.90	-103.45
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000422250	0	40	-2.0	-107.38	356.38	8.03	-99.35
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C1)C(=O)[O-]	REAL300000422251	0	36	-2.0	-93.47	351.51	6.27	-87.20
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C=C1)C(=O)[O-]	REAL300000422252	1	42	-2.0	-99.90	369.52	5.51	-94.39
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000422254	0	43	-2.0	-95.63	382.66	8.29	-87.34
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000422254	1	42	-3.0	-160.92	379.90	8.31	-152.61
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422256	0	41	-2.0	-103.91	360.36	6.91	-97.00
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C=C1)C(=O)[O-]	REAL300000422257	1	40	-2.0	-91.79	366.06	6.18	-85.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000422258	1	45	-2.0	-98.81	388.06	8.89	-89.92
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1Cl	REAL300000422260	0	40	-2.0	-91.86	369.73	4.31	-87.55
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422261	0	36	-2.0	-92.12	323.42	5.03	-87.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1Cl	REAL300000422262	1	40	-2.0	-95.60	361.13	8.15	-87.45
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1)C(=O)[O-]	REAL300000422263	1	43	-2.0	-109.52	373.76	8.04	-101.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C([N+](=O)[O-])S1	REAL300000422264	0	39	-2.0	-106.06	360.24	8.25	-97.81
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=C1)C(=O)[O-]	REAL300000422266	1	40	-2.0	-95.75	368.48	5.26	-90.49
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1)C(=O)[O-]	REAL300000422267	0	36	-2.0	-103.07	326.99	5.25	-97.82
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1)C(=O)[O-]	REAL300000422270	0	36	-2.0	-91.44	327.07	5.20	-86.24
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C=C1)C(=O)[O-]	REAL300000422272	0	35	-2.0	-104.66	336.83	6.47	-98.19
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1)C(=O)[O-]	REAL300000422275	1	37	-2.0	-92.18	348.26	7.61	-84.57
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C1)C(=O)[O-]	REAL300000422276	0	46	-2.0	-106.20	387.36	7.40	-98.80
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1)C(=O)[O-]	REAL300000422277	0	45	-2.0	-109.76	377.87	8.25	-101.51
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422278	0	47	-2.0	-99.88	398.46	6.03	-93.85
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422284	1	44	-2.0	-111.35	382.40	4.52	-106.83
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)N(C)N=C1	REAL300000422287	0	43	-2.0	-100.49	374.93	6.13	-94.36
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)N1C	REAL300000422290	0	40	-2.0	-100.47	348.07	6.00	-94.47
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422291	1	50	-2.0	-103.49	416.52	8.73	-94.76
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1F	REAL300000422294	0	42	-2.0	-104.13	374.29	9.19	-94.94
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CN1CC1CC1	REAL300000422295	0	50	-2.0	-110.18	425.18	9.02	-101.16
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)O1	REAL300000422296	0	43	-2.0	-95.80	383.10	6.41	-89.39
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1)C(=O)[O-]	REAL300000422297	0	40	-2.0	-97.70	366.26	6.58	-91.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(C)=C1[N+](=O)[O-]	REAL300000422298	1	45	-2.0	-96.62	390.58	9.40	-87.22
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C=C1)C(=O)[O-]	REAL300000422299	0	40	-2.0	-88.09	367.30	5.67	-82.42
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1)C(=O)[O-]	REAL300000422300	0	36	-2.0	-95.89	343.03	5.65	-90.24
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=C1)C(=O)[O-]	REAL300000422301	1	47	-2.0	-110.97	391.77	10.45	-100.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(F)=C1F	REAL300000422303	0	40	-2.0	-103.17	358.59	7.86	-95.31
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)OC=C1	REAL300000422304	0	40	-2.0	-109.67	361.92	6.07	-103.60
CC(CC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000422306	0	39	-2.0	-112.11	353.56	6.06	-106.05
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(C)=N1	REAL300000422307	0	49	-2.0	-98.52	413.58	7.81	-90.71
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1)C(=O)[O-]	REAL300000422308	0	38	-3.0	-166.37	350.28	5.73	-160.64
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422309	0	41	-2.0	-100.70	359.08	7.14	-93.56
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C=C1)C(=O)[O-]	REAL300000422310	1	49	-2.0	-97.89	403.89	9.30	-88.59
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C=C1)C(=O)[O-]	REAL300000422311	1	38	-2.0	-92.22	352.94	7.51	-84.71
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)C=C1)C(=O)[O-]	REAL300000422312	0	40	-2.0	-95.87	359.63	5.71	-90.16
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1)C(=O)[O-]	REAL300000422313	0	39	-2.0	-112.23	349.68	6.27	-105.96
CC(CC1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1)C(=O)[O-]	REAL300000422313	1	39	-2.0	-98.88	348.94	6.09	-92.79
CC(CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1)C(=O)[O-]	REAL300000422314	0	41	-2.0	-107.62	360.25	7.04	-100.58
CC(CC1=CC=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C=C1)C(=O)[O-]	REAL300000422315	0	47	-2.0	-98.66	386.59	7.17	-91.49
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C=C1)C(=O)[O-]	REAL300000422316	0	49	-2.0	-97.81	394.88	7.70	-90.11
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1)C(=O)[O-]	REAL300000422318	0	47	-2.0	-98.25	393.88	7.43	-90.82
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C=C1)C(=O)[O-]	REAL300000422319	0	40	-2.0	-92.35	359.77	6.03	-86.32
CC(CC1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1)C(=O)[O-]	REAL300000422321	0	38	-2.0	-88.39	341.07	5.58	-82.81
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1)C(=O)[O-]	REAL300000422321	1	38	-2.0	-99.34	341.89	4.81	-94.53
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422323	0	40	-2.0	-113.01	356.71	4.72	-108.29
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422324	0	43	-2.0	-99.12	369.35	6.23	-92.89
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1F	REAL300000422325	1	42	-2.0	-100.07	371.45	7.54	-92.53
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C=C1)C(=O)[O-]	REAL300000422326	0	37	-2.0	-93.93	331.68	4.43	-89.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(C#N)=C1	REAL300000422327	0	41	-2.0	-106.95	366.01	8.03	-98.92
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422328	0	41	-2.0	-107.91	357.41	8.29	-99.62
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=C1)C(=O)[O-]	REAL300000422329	1	40	-2.0	-94.65	362.35	7.94	-86.71
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C=C1)C(=O)[O-]	REAL300000422331	1	44	-2.0	-104.11	389.40	9.00	-95.11
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422333	0	37	-2.0	-91.20	344.94	2.85	-88.35
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1)C(=O)[O-]	REAL300000422335	0	33	-2.0	-94.08	313.25	4.78	-89.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422338	0	43	-3.0	-158.66	383.14	7.44	-151.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422338	1	44	-2.0	-100.05	385.85	7.39	-92.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C(C(N)=O)O1	REAL300000422339	0	41	-2.0	-99.45	365.20	2.66	-96.79
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422340	1	46	-2.0	-100.38	378.13	9.58	-90.80
CC(CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1)C(=O)[O-]	REAL300000422341	0	37	-2.0	-105.88	341.20	7.20	-98.68
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000422343	0	36	-3.0	-153.77	354.28	6.59	-147.18
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1)C(=O)[O-]	REAL300000422344	1	42	-2.0	-108.82	362.75	7.59	-101.23
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422345	0	44	-2.0	-101.88	387.11	7.25	-94.63
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C=C1)C(=O)[O-]	REAL300000422346	0	38	-2.0	-102.82	351.52	7.47	-95.35
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=N2)C=C1)C(=O)[O-]	REAL300000422347	0	36	-2.0	-102.53	325.28	3.40	-99.13
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1)C(=O)[O-]	REAL300000422348	0	44	-2.0	-99.80	376.32	6.75	-93.05
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1)C(=O)[O-]	REAL300000422349	0	44	-2.0	-97.25	374.94	6.90	-90.35
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1)C(=O)[O-]	REAL300000422350	0	47	-2.0	-95.45	395.91	7.68	-87.77
CC(CC1=CC=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C=C1)C(=O)[O-]	REAL300000422351	0	48	-2.0	-106.06	401.52	5.08	-100.98
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C1)C(=O)[O-]	REAL300000422352	1	43	-2.0	-98.20	376.39	4.29	-93.91
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C1)C(=O)[O-]	REAL300000422353	0	34	-2.0	-99.46	330.57	5.67	-93.79
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1F	REAL300000422354	1	41	-2.0	-91.06	372.35	6.63	-84.43
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1)C(=O)[O-]	REAL300000422355	0	44	-2.0	-100.25	368.58	7.11	-93.14
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1F	REAL300000422356	0	41	-2.0	-98.57	367.68	6.52	-92.05
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422357	0	47	-2.0	-105.33	400.16	8.45	-96.88
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422358	0	40	-2.0	-97.05	349.90	7.77	-89.28
CC(CC1=CC=C([N-]S(=O)(=O)C2=C3OC(C)CC3=CC=C2)C=C1)C(=O)[O-]	REAL300000422359	0	45	-2.0	-111.33	383.69	7.66	-103.67
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C=C1)C(=O)[O-]	REAL300000422360	0	45	-2.0	-97.58	394.32	6.71	-90.87
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C=C1)C(=O)[O-]	REAL300000422361	1	45	-2.0	-102.32	393.92	9.28	-93.04
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422362	0	41	-2.0	-102.90	365.66	7.66	-95.24
CC(CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1)C(=O)[O-]	REAL300000422363	0	34	-2.0	-98.30	331.91	6.51	-91.79
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300000422364	0	39	-2.0	-91.38	359.81	6.24	-85.14
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422365	0	42	-2.0	-114.56	368.22	6.66	-107.90
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422366	0	39	-2.0	-90.89	341.20	4.34	-86.55
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1)C(=O)[O-]	REAL300000422368	1	38	-2.0	-90.59	341.36	5.86	-84.73
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1)C(=O)[O-]	REAL300000422369	0	40	-2.0	-102.34	364.55	8.48	-93.86
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C1)C(=O)[O-]	REAL300000422370	0	40	-2.0	-114.03	370.58	6.76	-107.27
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C=C1)C(=O)[O-]	REAL300000422371	0	44	-2.0	-94.74	377.44	6.84	-87.90
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1OC	REAL300000422373	0	45	-2.0	-105.22	382.08	6.93	-98.29
CC(CC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1)C(=O)[O-]	REAL300000422374	0	40	-2.0	-102.59	355.47	7.33	-95.26
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1OC	REAL300000422375	0	45	-2.0	-107.91	385.90	7.40	-100.51
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C=C1)C(=O)[O-]	REAL300000422376	0	50	-2.0	-102.33	415.31	7.98	-94.35
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C=C1)C(=O)[O-]	REAL300000422377	0	44	-2.0	-101.22	380.95	6.98	-94.24
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1)C(=O)[O-]	REAL300000422379	0	40	-2.0	-107.45	355.13	6.26	-101.19
CC(CC1=CC=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C=C1)C(=O)[O-]	REAL300000422380	0	42	-2.0	-116.94	370.24	5.45	-111.49
CC(CC1=CC=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C=C1)C(=O)[O-]	REAL300000422381	0	44	-2.0	-102.01	367.42	9.00	-93.01
CC1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=CN=C1N	REAL300000422382	1	41	-2.0	-100.03	353.69	4.76	-95.27
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422383	0	37	-2.0	-97.92	342.98	2.92	-95.00
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)N=CN1	REAL300000422384	0	37	-2.0	-107.66	324.53	5.19	-102.47
CC(CC1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1)C(=O)[O-]	REAL300000422386	1	40	-2.0	-99.22	360.22	7.46	-91.76
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C=C1)C(=O)[O-]	REAL300000422387	0	47	-2.0	-101.42	397.21	7.46	-93.96
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1)C(=O)[O-]	REAL300000422388	0	34	-2.0	-97.59	331.51	6.59	-91.00
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1)C(=O)[O-]	REAL300000422389	0	47	-2.0	-98.77	400.46	7.73	-91.04
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1)C(=O)[O-]	REAL300000422390	0	41	-2.0	-103.52	362.42	8.24	-95.28
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422391	1	46	-2.0	-103.60	390.00	9.27	-94.33
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422392	0	43	-2.0	-93.36	382.78	5.42	-87.94
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C=C1)C(=O)[O-]	REAL300000422393	0	38	-2.0	-102.97	351.03	7.44	-95.53
CC(CC1=CC=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C=C1)C(=O)[O-]	REAL300000422394	0	44	-2.0	-99.61	371.33	6.58	-93.03
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C=C1)C(=O)[O-]	REAL300000422397	0	46	-2.0	-93.35	373.49	6.98	-86.37
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C=C1)C(=O)[O-]	REAL300000422398	0	46	-2.0	-100.27	390.11	6.76	-93.51
CC(CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1)C(=O)[O-]	REAL300000422399	0	44	-2.0	-98.87	375.04	6.17	-92.70
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C=C1)C(=O)[O-]	REAL300000422400	0	48	-2.0	-98.37	400.75	7.90	-90.47
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1)C(=O)[O-]	REAL300000422401	1	40	-2.0	-100.39	353.64	7.86	-92.53
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C1)C(=O)[O-]	REAL300000422402	0	37	-2.0	-99.04	348.08	7.45	-91.59
CC(CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300000422403	0	37	-2.0	-92.90	358.22	7.19	-85.71
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422404	0	40	-2.0	-94.13	347.87	5.27	-88.86
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C	REAL300000422406	1	43	-2.0	-101.93	359.70	8.41	-93.52
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1)C(=O)[O-]	REAL300000422407	0	40	-2.0	-109.48	347.47	8.37	-101.11
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422408	1	48	-2.0	-110.15	411.06	9.10	-101.05
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000422410	1	46	-2.0	-101.15	404.09	8.70	-92.45
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C=C1)C(=O)[O-]	REAL300000422411	0	38	-2.0	-100.10	359.07	7.92	-92.18
CC(CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1)C(=O)[O-]	REAL300000422412	0	37	-2.0	-99.81	345.67	7.28	-92.53
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1)C(=O)[O-]	REAL300000422413	1	44	-2.0	-102.05	374.89	9.15	-92.90
COC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=CS1	REAL300000422414	0	38	-2.0	-105.98	348.68	5.52	-100.46
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422415	0	43	-2.0	-96.25	392.69	7.42	-88.83
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1)C(=O)[O-]	REAL300000422416	0	44	-2.0	-103.65	381.23	9.25	-94.40
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1)C(=O)[O-]	REAL300000422417	0	47	-2.0	-96.11	391.25	7.68	-88.43
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422418	0	46	-2.0	-95.17	385.62	6.95	-88.22
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300000422419	1	46	-2.0	-106.63	396.86	4.56	-102.07
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C=C1)C(=O)[O-]	REAL300000422421	0	42	-2.0	-109.70	369.30	5.41	-104.29
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)O1	REAL300000422422	0	40	-2.0	-101.79	352.50	6.68	-95.11
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1)C(=O)[O-]	REAL300000422423	0	37	-2.0	-95.01	350.28	6.30	-88.71
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422424	0	41	-2.0	-96.92	366.62	6.97	-89.95
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C=C1)C(=O)[O-]	REAL300000422425	1	43	-2.0	-100.56	379.69	8.60	-91.96
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1)C(=O)[O-]	REAL300000422426	1	41	-2.0	-100.53	365.73	6.65	-93.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300000422427	0	38	-2.0	-97.83	350.30	5.53	-92.30
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000422428	0	48	-2.0	-117.68	397.89	9.42	-108.26
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1)C(=O)[O-]	REAL300000422430	0	40	-2.0	-96.27	359.15	5.78	-90.49
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422431	1	47	-2.0	-104.89	403.34	7.77	-97.12
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C=C1)C(=O)[O-]	REAL300000422432	0	47	-2.0	-96.21	405.37	8.24	-87.97
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1)C(=O)[O-]	REAL300000422433	0	50	-2.0	-97.82	412.06	7.99	-89.83
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1)C(=O)[O-]	REAL300000422434	1	40	-2.0	-102.87	347.33	7.97	-94.90
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1)C(=O)[O-]	REAL300000422435	0	40	-2.0	-105.29	353.47	7.42	-97.87
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1)C(=O)[O-]	REAL300000422436	1	39	-2.0	-102.07	357.42	6.47	-95.60
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=N1	REAL300000422437	0	39	-2.0	-98.31	346.37	3.91	-94.40
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1Cl	REAL300000422438	0	40	-2.0	-96.34	368.17	6.00	-90.34
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1)C(=O)[O-]	REAL300000422439	0	34	-2.0	-95.63	325.36	5.67	-89.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000422440	1	46	-2.0	-109.09	384.45	9.90	-99.19
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C1)C(=O)[O-]	REAL300000422442	0	37	-2.0	-95.37	353.23	7.66	-87.71
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300000422443	0	47	-2.0	-103.23	403.96	8.49	-94.74
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1)C(=O)[O-]	REAL300000422445	0	41	-2.0	-100.49	369.49	8.37	-92.12
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000422446	0	40	-2.0	-91.33	371.14	7.87	-83.46
CC1=COC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422448	0	37	-2.0	-100.82	330.20	5.72	-95.10
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=NN1	REAL300000422449	0	43	-2.0	-98.34	385.86	4.86	-93.48
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1OC	REAL300000422450	0	42	-2.0	-102.25	378.62	5.07	-97.18
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000422451	0	36	-2.0	-88.36	343.23	5.69	-82.67
CC(CC1=CC=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C=C1)C(=O)[O-]	REAL300000422452	0	43	-2.0	-98.90	370.89	7.01	-91.89
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C=C1)C(=O)[O-]	REAL300000422453	1	44	-2.0	-107.21	380.19	8.84	-98.37
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=C1)C(=O)[O-]	REAL300000422454	0	34	-2.0	-90.42	351.56	7.17	-83.25
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C=C1)C(=O)[O-]	REAL300000422455	0	37	-2.0	-95.73	345.58	5.10	-90.63
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C=C1)C(=O)[O-]	REAL300000422456	1	42	-2.0	-98.14	377.11	7.69	-90.45
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C=C1)C(=O)[O-]	REAL300000422457	0	43	-2.0	-111.98	364.31	8.90	-103.08
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C=C1)C(=O)[O-]	REAL300000422458	0	35	-2.0	-101.13	328.30	5.54	-95.59
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422459	0	39	-2.0	-92.37	354.22	6.47	-85.90
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422460	1	48	-2.0	-103.83	410.14	8.70	-95.13
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(C2CC2)=N1	REAL300000422461	0	47	-2.0	-101.32	402.52	7.83	-93.49
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C2=NSN=C2C=C1	REAL300000422462	0	41	-2.0	-107.90	364.53	6.43	-101.47
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422465	0	50	-2.0	-98.61	414.37	8.22	-90.39
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1)C(=O)[O-]	REAL300000422466	0	34	-2.0	-97.48	325.25	5.57	-91.91
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1)C(=O)[O-]	REAL300000422467	0	34	-2.0	-94.87	335.32	6.59	-88.28
CC(CC1=CC=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C=C1)C(=O)[O-]	REAL300000422468	0	45	-2.0	-95.56	377.96	4.80	-90.76
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1)C(=O)[O-]	REAL300000422469	1	44	-2.0	-104.44	370.02	9.24	-95.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(C)=N1	REAL300000422473	1	43	-2.0	-94.33	368.51	4.49	-89.84
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422474	0	43	-2.0	-104.44	373.08	4.89	-99.55
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422475	0	40	-2.0	-98.55	368.39	4.74	-93.81
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C	REAL300000422476	1	43	-2.0	-96.60	372.92	4.46	-92.14
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=N1	REAL300000422477	0	46	-2.0	-98.70	393.89	7.17	-91.53
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422478	0	46	-2.0	-99.13	389.27	6.79	-92.34
CC(CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C1)C(=O)[O-]	REAL300000422479	0	36	-2.0	-99.12	353.76	5.06	-94.06
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C=C1)C(=O)[O-]	REAL300000422480	0	35	-2.0	-100.27	328.67	5.45	-94.82
CC(CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C=C1)C(=O)[O-]	REAL300000422481	0	35	-2.0	-103.66	338.53	6.41	-97.25
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422482	0	43	-2.0	-94.98	368.20	6.34	-88.64
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C	REAL300000422483	0	45	-2.0	-94.36	392.38	6.42	-87.94
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000422484	0	40	-2.0	-105.76	365.78	8.85	-96.91
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1)C(=O)[O-]	REAL300000422485	0	44	-2.0	-93.94	377.90	7.16	-86.78
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300000422486	0	44	-2.0	-103.91	382.72	8.09	-95.82
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=NN1C(C)C	REAL300000422488	0	46	-2.0	-99.89	389.57	6.89	-93.00
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=C1)C(=O)[O-]	REAL300000422489	1	44	-2.0	-106.88	386.34	9.28	-97.60
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1)C(=O)[O-]	REAL300000422490	0	39	-2.0	-95.79	353.00	6.07	-89.72
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C=C1)C(=O)[O-]	REAL300000422492	1	44	-2.0	-101.88	387.99	9.31	-92.57
CC(CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C=C1)C(=O)[O-]	REAL300000422493	0	41	-2.0	-101.94	376.15	7.51	-94.43
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1)C(=O)[O-]	REAL300000422494	1	38	-2.0	-101.55	337.51	4.22	-97.33
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422495	1	46	-2.0	-104.62	391.38	8.75	-95.87
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C1)C(=O)[O-]	REAL300000422496	0	40	-2.0	-109.61	366.18	8.08	-101.53
CC(CC1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1)C(=O)[O-]	REAL300000422497	0	33	-2.0	-92.22	312.13	4.67	-87.55
CC(CC1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1)C(=O)[O-]	REAL300000422498	0	41	-2.0	-111.05	374.34	6.34	-104.71
CC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=C1)C(=O)[O-]	REAL300000422499	1	44	-2.0	-106.54	382.33	9.38	-97.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C(C(F)F)=C1	REAL300000422500	1	44	-2.0	-98.21	377.13	7.52	-90.69
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422501	0	42	-2.0	-107.53	367.27	6.66	-100.87
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300000422502	0	43	-2.0	-116.15	374.99	8.60	-107.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000422503	0	45	-2.0	-116.59	384.21	8.24	-108.35
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000422504	0	42	-3.0	-159.92	376.28	7.60	-152.32
CCC1=C(S(=O)(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000422504	1	43	-2.0	-106.76	378.63	7.05	-99.71
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422505	0	50	-2.0	-109.73	415.14	9.05	-100.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)C=C(Cl)S1	REAL300000422506	0	37	-2.0	-94.13	350.97	7.44	-86.69
CC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1)C(=O)[O-]	REAL300000422507	0	33	-2.0	-95.95	312.25	4.17	-91.78
CC(CC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1)C(=O)[O-]	REAL300000422508	0	44	-2.0	-100.61	371.42	6.37	-94.24
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300000422509	0	40	-2.0	-105.64	353.42	7.81	-97.83
CN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000422510	0	31	-2.0	-101.12	315.90	3.77	-97.35
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300000422511	0	31	-2.0	-91.78	311.34	3.74	-88.04
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000422512	0	31	-2.0	-103.13	311.35	3.73	-99.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)(F)F	REAL300000422513	0	35	-2.0	-107.34	339.50	3.54	-103.80
CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300000422514	0	35	-2.0	-91.36	342.80	5.03	-86.33
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000422515	0	34	-2.0	-104.20	327.37	4.27	-99.93
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(F)(F)F)=N1	REAL300000422516	0	31	-2.0	-98.30	324.42	4.31	-93.99
CN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000422517	0	31	-2.0	-99.35	323.87	4.13	-95.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)=C1C	REAL300000422518	0	37	-2.0	-105.22	344.02	5.08	-100.14
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(F)(F)F)=N1	REAL300000422519	0	31	-2.0	-99.48	316.83	3.80	-95.68
CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300000422520	0	37	-2.0	-90.25	354.93	5.31	-84.94
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(F)(F)F)=N1	REAL300000422521	0	28	-2.0	-98.04	304.54	2.75	-95.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)(F)F	REAL300000422522	0	34	-2.0	-103.13	326.79	4.52	-98.61
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300000422523	0	35	-2.0	-90.02	342.42	4.01	-86.01
CN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000422524	0	32	-2.0	-101.87	318.00	3.08	-98.79
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)(F)F	REAL300000422525	0	35	-2.0	-103.56	335.56	2.55	-101.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)=C1	REAL300000422526	0	31	-2.0	-94.30	321.98	3.38	-90.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000422527	0	37	-2.0	-104.25	342.80	5.05	-99.20
CN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000422528	0	28	-2.0	-99.32	303.00	2.77	-96.55
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000422529	0	35	-2.0	-109.12	338.64	3.80	-105.32
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)(F)F	REAL300000422530	0	40	-2.0	-105.06	365.26	5.75	-99.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)(F)F	REAL300000422531	0	37	-2.0	-101.47	341.48	5.46	-96.01
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)(F)F	REAL300000422532	0	38	-2.0	-108.61	361.79	4.29	-104.32
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000422533	0	33	-3.0	-177.58	341.25	4.27	-173.31
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C(F)(F)F)=N1	REAL300000422534	0	38	-2.0	-106.99	357.09	5.60	-101.39
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)C=C(C(=O)[O-])O1	REAL300000422535	0	31	-2.0	-97.25	315.85	2.84	-94.41
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)=C1	REAL300000422536	0	35	-2.0	-105.22	340.27	2.84	-102.38
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)=CC=C1OCC(=O)[O-]	REAL300000422537	0	38	-2.0	-90.50	362.51	4.72	-85.78
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)(F)F	REAL300000422538	0	34	-2.0	-94.54	332.06	4.55	-89.99
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C(F)(F)F)=N1	REAL300000422539	0	35	-2.0	-89.93	348.66	4.08	-85.85
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000422540	0	38	-2.0	-109.90	361.98	4.68	-105.22
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)C=C(C(=O)[O-])S1	REAL300000422541	0	31	-2.0	-100.11	319.98	3.64	-96.47
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(F)(F)F)=N1	REAL300000422542	0	31	-2.0	-89.62	325.89	4.27	-85.35
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(F)(F)F)=N1	REAL300000422543	0	31	-2.0	-91.56	315.89	3.78	-87.78
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(F)(F)F)=N1	REAL300000422544	0	28	-2.0	-93.25	303.62	2.86	-90.39
CN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000422545	0	31	-2.0	-94.50	317.77	3.79	-90.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)=C1F	REAL300000422546	0	34	-2.0	-100.87	337.10	4.43	-96.44
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(F)(F)F)=N1	REAL300000422547	0	31	-2.0	-91.13	318.30	3.78	-87.35
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(F)(F)F)=N1	REAL300000422548	0	31	-2.0	-89.52	323.86	4.14	-85.38
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)(F)F	REAL300000422549	0	34	-2.0	-96.01	340.80	4.94	-91.07
CN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000422550	0	31	-2.0	-93.30	323.66	3.80	-89.50
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000422551	0	33	-2.0	-89.17	341.03	4.38	-84.79
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(F)(F)F)=N1	REAL300000422552	0	31	-3.0	-195.26	317.51	2.33	-192.93
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(F)(F)F)=N1	REAL300000422552	1	32	-2.0	-101.73	321.07	1.45	-100.28
CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300000422553	0	34	-2.0	-94.26	333.53	4.50	-89.76
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)(F)F	REAL300000422554	0	34	-2.0	-100.33	321.40	4.36	-95.97
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)=CC(C(=O)[O-])=C1F	REAL300000422555	0	34	-2.0	-102.56	337.67	4.36	-98.20
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)(F)F	REAL300000422556	0	34	-2.0	-91.93	326.76	4.51	-87.42
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)=CC(C(=O)[O-])=C1C	REAL300000422557	0	37	-2.0	-106.04	345.72	4.78	-101.26
CN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000422558	0	33	-2.0	-102.62	337.91	4.83	-97.79
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(F)(F)F)=N1	REAL300000422559	0	31	-2.0	-91.88	323.09	3.86	-88.02
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)C(C)=C1C(=O)[O-]	REAL300000422560	0	37	-2.0	-104.70	344.88	5.14	-99.56
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000422561	0	34	-2.0	-101.69	336.67	4.43	-97.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)=C1Cl	REAL300000422562	0	34	-2.0	-99.94	343.14	4.87	-95.07
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)=C1	REAL300000422563	0	34	-2.0	-108.61	336.40	4.43	-104.18
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000422564	0	37	-2.0	-104.79	345.68	4.92	-99.87
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)C=C1CC(=O)[O-]	REAL300000422565	0	38	-2.0	-106.60	361.83	3.86	-102.74
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)(F)F	REAL300000422566	0	34	-2.0	-93.75	337.61	4.92	-88.83
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)=CC(C(=O)[O-])=C1Cl	REAL300000422567	0	34	-2.0	-101.13	344.06	4.67	-96.46
CCN1C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000422568	0	35	-2.0	-103.17	339.37	3.95	-99.22
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000422569	0	34	-2.0	-96.81	342.71	4.67	-92.14
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000422570	0	34	-2.0	-91.77	327.36	4.28	-87.49
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)(F)F	REAL300000422571	0	34	-2.0	-101.08	331.31	4.55	-96.53
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C(F)(F)F)=N1	REAL300000422572	0	33	-2.0	-110.95	335.09	5.61	-105.34
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(F)(F)F)=N1	REAL300000422573	0	31	-2.0	-107.91	314.99	3.76	-104.15
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000422574	0	34	-2.0	-95.27	334.00	4.28	-90.99
CN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000422575	0	37	-2.0	-111.13	352.39	5.86	-105.27
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(F)(F)F)=N1	REAL300000422576	0	30	-2.0	-99.21	308.34	1.79	-97.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)(F)F	REAL300000422577	0	35	-2.0	-95.50	339.56	3.53	-91.97
CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000422578	0	28	-2.0	-91.84	312.94	2.69	-89.15
CN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(F)(F)F)=N1	REAL300000422579	0	38	-2.0	-97.47	357.48	5.61	-91.86
CN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(F)(F)F)=N1	REAL300000422580	0	38	-2.0	-101.41	356.93	5.57	-95.84
CCC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)(F)F)C=C(C(=O)[O-])O1	REAL300000422581	0	34	-2.0	-97.04	333.49	3.72	-93.32
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000422582	0	37	-2.0	-102.01	336.85	7.08	-94.93
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000422583	0	37	-2.0	-91.73	331.43	7.09	-84.64
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000422584	0	37	-2.0	-103.88	333.12	7.02	-96.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2=CC=CC=C2)ON=C1C	REAL300000422585	0	41	-2.0	-109.01	360.45	6.82	-102.19
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000422586	0	41	-2.0	-91.26	362.90	8.37	-82.89
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000422587	0	40	-2.0	-105.08	347.49	7.63	-97.45
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000422588	0	37	-2.0	-99.37	344.53	7.65	-91.72
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000422589	0	37	-2.0	-100.25	344.82	7.43	-92.82
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000422590	0	43	-2.0	-106.52	364.99	8.38	-98.14
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000422591	0	37	-2.0	-101.15	336.93	7.14	-94.01
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000422592	0	43	-2.0	-90.57	375.02	8.67	-81.90
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000422593	0	34	-2.0	-98.32	324.64	6.11	-92.21
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000422594	0	40	-2.0	-104.34	346.89	7.85	-96.49
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000422595	0	41	-2.0	-89.91	362.52	7.36	-82.55
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000422596	0	38	-2.0	-102.19	338.95	6.40	-95.79
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000422597	0	41	-2.0	-104.71	355.66	5.89	-98.82
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2C)=C1	REAL300000422598	0	37	-2.0	-94.84	341.41	6.72	-88.12
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000422599	0	43	-2.0	-105.75	362.39	8.43	-97.32
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000422600	0	34	-2.0	-100.35	324.77	6.04	-94.31
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2C)C=C1C(=O)[O-]	REAL300000422601	0	41	-2.0	-109.60	359.60	7.12	-102.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2=CC=CC=C2)ON=C1C	REAL300000422602	0	43	-2.0	-104.41	364.20	8.67	-95.74
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000422603	0	44	-2.0	-108.93	376.59	8.95	-99.98
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000422604	0	37	-2.0	-97.81	334.02	6.29	-91.52
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000422605	0	41	-2.0	-105.16	361.23	6.12	-99.04
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000422606	0	40	-2.0	-95.22	353.01	7.85	-87.37
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000422607	0	37	-2.0	-100.89	342.00	6.91	-93.98
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000422608	0	37	-2.0	-89.46	345.36	7.60	-81.86
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000422609	0	37	-2.0	-91.55	336.84	7.08	-84.47
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000422610	0	34	-2.0	-93.51	323.73	6.21	-87.30
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000422611	0	37	-2.0	-94.97	337.42	7.21	-87.76
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000422612	0	40	-2.0	-102.66	358.08	7.74	-94.92
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000422613	0	37	-2.0	-91.54	337.78	7.12	-84.42
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000422614	0	37	-2.0	-89.47	344.81	7.44	-82.03
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000422615	0	37	-2.0	-93.49	342.27	7.17	-86.32
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000422616	0	38	-2.0	-103.18	341.17	4.79	-98.39
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000422617	0	40	-2.0	-94.99	353.62	7.86	-87.13
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000422618	0	40	-2.0	-100.03	341.36	7.75	-92.28
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000422619	0	40	-2.0	-102.99	356.29	7.73	-95.26
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000422620	0	40	-2.0	-91.79	347.72	7.80	-83.99
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000422621	0	43	-2.0	-106.73	364.28	8.15	-98.58
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000422622	0	37	-2.0	-93.23	344.07	7.17	-86.06
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000422623	0	43	-2.0	-104.47	365.75	8.47	-96.00
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000422624	0	40	-2.0	-103.46	356.89	7.79	-95.67
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000422625	0	40	-2.0	-109.19	357.34	7.73	-101.46
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2C)C=C1C(=O)[O-]	REAL300000422626	0	43	-2.0	-105.95	366.42	8.26	-97.69
CCN1C=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2C)C=C1C(=O)[O-]	REAL300000422627	0	41	-2.0	-103.40	360.33	7.26	-96.14
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000422628	0	40	-2.0	-91.94	348.41	7.59	-84.35
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000422629	0	40	-2.0	-101.86	351.40	7.88	-93.98
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000422630	0	37	-2.0	-108.49	335.97	7.08	-101.41
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000422631	0	40	-2.0	-96.87	356.55	7.77	-89.10
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000422632	0	36	-2.0	-101.18	329.30	5.10	-96.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2=CC=CC=C2)ON=C1C	REAL300000422633	0	41	-2.0	-95.77	360.51	6.84	-88.93
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000422634	0	34	-2.0	-92.00	331.60	6.06	-85.94
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000422635	0	44	-2.0	-98.04	378.44	8.93	-89.11
CC1=NOC(C2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000422636	0	44	-2.0	-100.03	375.10	9.01	-91.02
CCC1=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)ON=C2C)C=C(C(=O)[O-])O1	REAL300000422637	0	40	-2.0	-97.37	349.33	6.99	-90.38
COC(=O)CCN(C1=CC=CC=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000422654	0	44	-2.0	-108.81	383.21	7.62	-101.19
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000422663	1	36	-2.0	-102.47	344.36	4.36	-98.11
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000422664	1	36	-2.0	-91.84	339.82	4.34	-87.50
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000422665	1	36	-2.0	-133.52	339.84	4.33	-129.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)=O	REAL300000422666	0	40	-2.0	-138.47	367.97	4.13	-134.34
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000422667	1	40	-2.0	-113.28	371.29	5.63	-107.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)C=C1C(=O)[O-]	REAL300000422668	1	39	-2.0	-105.41	355.86	4.87	-100.54
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000422669	0	36	-2.0	-127.17	352.90	4.90	-122.27
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000422670	1	36	-2.0	-100.56	352.34	4.72	-95.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)=C1C	REAL300000422671	1	42	-2.0	-135.97	372.94	5.67	-130.30
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000422672	0	36	-2.0	-129.43	345.31	4.39	-125.04
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000422673	1	42	-2.0	-91.65	383.41	5.92	-85.73
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000422674	0	33	-2.0	-126.15	333.01	3.34	-122.81
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)=O	REAL300000422675	1	39	-2.0	-133.62	355.27	5.12	-128.50
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000422676	1	40	-2.0	-112.46	370.91	4.62	-107.84
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)C=C1C(=O)[O-]	REAL300000422677	0	37	-2.0	-102.65	346.48	3.68	-98.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)=C1	REAL300000422679	0	36	-2.0	-118.06	348.96	4.01	-114.05
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)C=C1C(=O)[O-]	REAL300000422680	1	42	-2.0	-108.70	371.28	5.65	-103.05
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000422681	0	33	-2.0	-100.28	331.48	3.36	-96.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)C=C1C(=O)[O-]	REAL300000422682	1	40	-2.0	-110.35	367.11	4.40	-105.95
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)=O	REAL300000422683	1	45	-2.0	-136.19	393.73	6.34	-129.85
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)=O	REAL300000422684	1	42	-2.0	-131.30	366.42	5.91	-125.39
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)=O	REAL300000422685	0	43	-2.0	-139.75	390.26	4.90	-134.85
CS(=O)CC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000422686	0	39	-2.0	-116.72	366.76	4.83	-111.89
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000422686	1	38	-3.0	-210.31	368.23	4.89	-205.42
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000422687	1	43	-2.0	-138.90	384.09	6.23	-132.67
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)C=C(C(=O)[O-])O1	REAL300000422688	0	36	-2.0	-100.22	342.83	3.47	-96.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)=C1	REAL300000422689	0	40	-2.0	-128.25	368.79	3.42	-124.83
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)=CC=C1OCC(=O)[O-]	REAL300000422690	1	43	-2.0	-91.25	390.97	5.32	-85.93
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)=O	REAL300000422691	1	39	-2.0	-122.89	360.54	5.14	-117.75
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)C=C1C(=O)[O-]	REAL300000422692	1	43	-2.0	-108.30	388.96	5.31	-102.99
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)C=C(C(=O)[O-])S1	REAL300000422693	0	36	-2.0	-129.14	348.46	4.22	-124.92
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000422694	0	36	-2.0	-112.52	352.88	4.89	-107.63
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000422695	1	36	-2.0	-91.41	344.34	4.37	-87.04
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000422696	0	33	-2.0	-116.79	332.09	3.46	-113.33
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000422697	1	36	-2.0	-93.73	346.24	4.40	-89.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)=C1F	REAL300000422698	0	39	-2.0	-131.35	365.57	5.02	-126.33
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000422699	0	36	-2.0	-114.94	345.29	4.40	-110.54
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000422700	1	36	-2.0	-89.36	352.32	4.73	-84.63
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000422701	1	36	-2.0	-94.13	350.65	4.42	-89.71
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000422702	0	38	-2.0	-112.08	368.01	5.00	-107.08
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000422703	0	37	-2.0	-132.05	349.54	2.05	-130.00
CS(=O)CC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000422703	1	37	-2.0	-103.90	337.05	2.76	-101.14
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000422704	1	39	-2.0	-95.94	362.01	5.12	-90.82
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)=O	REAL300000422705	1	39	-2.0	-96.97	349.87	4.96	-92.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)=CC(C(=O)[O-])=C1F	REAL300000422706	1	39	-2.0	-124.81	364.65	4.98	-119.83
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)=O	REAL300000422707	1	39	-2.0	-116.23	355.25	5.10	-111.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)=CC(C(=O)[O-])=C1C	REAL300000422708	1	42	-2.0	-137.72	372.70	5.40	-132.32
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000422709	0	38	-2.0	-103.80	366.38	5.43	-98.37
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000422710	0	36	-2.0	-119.85	351.55	4.46	-115.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)C(C)=C1C(=O)[O-]	REAL300000422711	1	42	-2.0	-127.51	374.31	5.72	-121.79
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)C=C1C(=O)[O-]	REAL300000422712	0	39	-2.0	-103.09	361.31	4.93	-98.16
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)=C1	REAL300000422713	0	39	-2.0	-132.14	364.84	5.02	-127.12
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)C=C1C(=O)[O-]	REAL300000422714	1	42	-2.0	-103.54	373.80	5.52	-98.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)C=C1CC(=O)[O-]	REAL300000422715	1	43	-2.0	-104.90	390.29	4.46	-100.44
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)C=C1C(=O)[O-]	REAL300000422716	0	40	-2.0	-103.82	367.85	4.54	-99.28
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)=CC=C1C(=O)[O-]	REAL300000422717	1	39	-2.0	-93.43	359.88	4.98	-88.45
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)=O	REAL300000422718	1	39	-2.0	-130.23	359.78	5.15	-125.08
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000422719	0	38	-2.0	-132.63	363.55	6.18	-126.45
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000422720	0	36	-2.0	-103.63	343.47	4.36	-99.27
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)C=C1C(=O)[O-]	REAL300000422721	1	39	-2.0	-95.87	360.99	4.90	-90.97
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000422722	0	35	-2.0	-126.28	336.03	2.45	-123.83
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CS(C)=O	REAL300000422723	0	40	-2.0	-120.65	368.03	4.13	-116.52
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000422724	0	33	-2.0	-92.70	339.94	3.30	-89.40
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000422725	1	43	-2.0	-124.07	385.97	6.22	-117.85
CS(=O)CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000422726	1	43	-2.0	-124.18	383.91	6.19	-117.99
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CS(C)=O)C=C(C(=O)[O-])O1	REAL300000422727	0	39	-2.0	-100.34	360.86	4.27	-96.07
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C2C(Cl)=C1	REAL300000422728	1	37	-2.0	-101.58	345.27	8.82	-92.76
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2C(Cl)=C1	REAL300000422729	1	37	-2.0	-92.54	340.77	8.77	-83.77
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2C(Cl)=C1	REAL300000422730	1	37	-2.0	-105.01	340.73	8.79	-96.22
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000422731	1	40	-2.0	-105.13	356.42	9.33	-95.80
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=CC=CC=C2C(Cl)=C1	REAL300000422732	0	37	-2.0	-101.11	345.99	8.86	-92.25
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=CC=C2C(Cl)=C1	REAL300000422733	0	34	-2.0	-99.36	334.90	7.62	-91.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(Cl)C2=CC=CC=C21	REAL300000422734	1	40	-2.0	-105.22	354.06	9.48	-95.74
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=CC=CC=C2C(Cl)=C1	REAL300000422735	0	38	-2.0	-103.37	347.37	8.14	-95.23
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C3=CC=CC=C32)=C1	REAL300000422736	0	37	-2.0	-95.53	350.00	8.44	-87.09
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=CC=C2C(Cl)=C1	REAL300000422737	0	34	-2.0	-99.88	332.18	7.84	-92.04
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000422738	0	37	-2.0	-99.17	343.37	7.92	-91.25
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300000422739	0	37	-2.0	-101.98	347.84	8.63	-93.35
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC=CC=C2C(Cl)=C1	REAL300000422740	1	37	-2.0	-91.90	345.26	8.83	-83.07
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=CC=C2C(Cl)=C1	REAL300000422741	0	34	-2.0	-94.08	332.86	7.94	-86.14
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CC=C2C(Cl)=C1	REAL300000422742	0	37	-2.0	-95.93	346.70	8.87	-87.06
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=CC=CC=C2C(Cl)=C1	REAL300000422743	0	37	-2.0	-92.03	345.98	8.86	-83.17
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=CC=CC=C2C(Cl)=C1	REAL300000422744	0	38	-2.0	-103.54	350.43	6.48	-97.06
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C2C(Cl)=C1	REAL300000422744	1	38	-2.0	-104.50	344.04	7.11	-97.39
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=CC=CC=C2C(Cl)=C1	REAL300000422745	1	40	-2.0	-95.30	362.96	9.55	-85.75
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C2=CC=CC=C2C(Cl)=C1	REAL300000422746	1	40	-2.0	-101.30	352.44	9.45	-91.85
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=C(Cl)C2=CC=CC=C21	REAL300000422747	1	40	-2.0	-92.28	352.25	9.45	-82.83
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000422748	0	41	-2.0	-103.74	368.55	9.01	-94.73
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000422749	1	40	-2.0	-92.54	356.18	9.33	-83.21
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=CC=CC=C2C(Cl)=C1	REAL300000422750	0	37	-2.0	-107.99	344.36	8.82	-99.17
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=CC=C2C(Cl)=C1	REAL300000422751	0	36	-2.0	-102.40	336.73	6.94	-95.46
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000422752	0	40	-2.0	-98.66	362.49	8.78	-89.88
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000422753	0	40	-2.0	-83.94	372.07	3.34	-80.60
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000422754	0	33	-2.0	-99.91	320.15	4.79	-95.12
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1OC	REAL300000422755	0	41	-2.0	-100.43	375.24	5.85	-94.58
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000422756	0	33	-2.0	-90.44	315.59	4.77	-85.67
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000422757	0	33	-2.0	-102.07	315.62	4.76	-97.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1OC	REAL300000422758	0	37	-2.0	-107.08	343.76	4.55	-102.53
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000422759	0	37	-2.0	-89.82	347.06	6.05	-83.77
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000422760	0	36	-2.0	-103.12	331.63	5.29	-97.83
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000422761	0	33	-2.0	-97.68	328.69	5.33	-92.35
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000422762	0	33	-2.0	-98.15	328.12	5.15	-93.00
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000422763	0	39	-2.0	-104.63	348.72	6.09	-98.54
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000422764	0	33	-2.0	-99.19	321.09	4.82	-94.37
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000422765	0	39	-2.0	-88.90	359.18	6.35	-82.55
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000422766	0	30	-2.0	-96.76	308.80	3.78	-92.98
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000422767	0	36	-2.0	-102.82	331.05	5.54	-97.28
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000422768	0	37	-2.0	-88.52	346.68	5.04	-83.48
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000422769	0	34	-2.0	-100.57	322.26	4.11	-96.46
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000422770	0	37	-2.0	-103.59	339.40	3.60	-99.99
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000422771	0	33	-2.0	-93.07	324.75	4.44	-88.63
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000422772	0	39	-2.0	-103.89	347.06	6.07	-97.82
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000422773	0	30	-2.0	-98.07	307.26	3.80	-94.27
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000422774	0	41	-2.0	-102.72	373.93	4.57	-98.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC)C=C1C(=O)[O-]	REAL300000422775	0	37	-2.0	-107.88	342.91	4.83	-103.05
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000422776	0	43	-2.0	-106.50	370.86	7.38	-99.12
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000422777	0	42	-2.0	-104.77	369.51	6.76	-98.01
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1OC	REAL300000422778	0	39	-2.0	-100.99	345.74	6.48	-94.51
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000422779	0	40	-2.0	-107.37	366.05	5.32	-102.05
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000422780	0	35	-3.0	-176.76	344.02	5.32	-171.44
COC1=CC(C#N)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000422780	1	36	-2.0	-107.71	343.97	5.25	-102.46
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000422781	0	40	-2.0	-106.81	359.86	6.66	-100.15
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000422782	0	33	-2.0	-96.57	318.62	3.90	-92.67
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000422783	0	39	-2.0	-106.93	357.78	4.53	-102.40
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000422784	0	37	-2.0	-103.04	344.58	3.85	-99.19
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000422785	0	41	-2.0	-88.86	368.53	5.36	-83.50
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000422786	0	33	-2.0	-94.75	333.21	5.35	-89.40
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000422787	0	37	-2.0	-87.21	362.72	5.58	-81.63
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000422788	0	40	-2.0	-88.97	366.77	5.75	-83.22
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000422789	0	36	-2.0	-93.79	336.32	5.57	-88.22
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000422790	0	37	-2.0	-88.24	352.92	5.11	-83.13
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC)C=C1C(=O)[O-]	REAL300000422791	0	40	-2.0	-108.51	364.76	5.73	-102.78
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000422792	0	33	-2.0	-99.53	324.24	4.66	-94.87
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000422793	0	33	-2.0	-87.95	328.66	5.32	-82.63
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000422794	0	33	-2.0	-90.16	320.15	4.80	-85.36
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000422795	0	30	-2.0	-91.99	307.88	3.89	-88.10
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000422796	0	33	-2.0	-93.31	322.03	4.82	-88.49
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000422797	0	36	-2.0	-100.58	341.36	5.45	-95.13
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000422798	0	37	-2.0	-92.73	355.93	5.39	-87.34
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000422799	0	33	-2.0	-89.74	321.08	4.83	-84.91
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000422800	0	33	-2.0	-88.08	328.12	5.16	-82.92
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000422801	0	36	-2.0	-95.38	345.06	5.96	-89.42
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000422802	0	41	-2.0	-86.67	379.35	6.17	-80.50
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000422803	0	33	-2.0	-91.83	326.43	4.85	-86.98
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000422804	0	35	-2.0	-87.73	343.80	5.43	-82.30
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000422805	0	34	-2.0	-101.63	325.33	2.46	-99.17
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000422805	1	33	-3.0	-195.96	321.77	3.35	-192.61
COC1=CC(C#N)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000422805	1	34	-2.0	-105.07	320.88	2.79	-102.28
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000422806	0	36	-2.0	-93.39	337.78	5.54	-87.85
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000422807	0	33	-2.0	-93.10	336.32	5.29	-87.81
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000422808	0	36	-2.0	-98.46	325.65	5.39	-93.07
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000422809	0	36	-2.0	-101.21	340.44	5.41	-95.80
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000422810	0	36	-2.0	-90.59	331.03	5.53	-85.06
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000422811	0	39	-2.0	-105.00	348.49	5.83	-99.17
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000422812	0	35	-2.0	-101.15	342.19	5.86	-95.29
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000422813	0	33	-2.0	-91.17	327.35	4.88	-86.29
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000422814	0	39	-2.0	-102.56	350.09	6.14	-96.42
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000422815	0	36	-2.0	-100.16	337.09	5.36	-94.80
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000422816	0	36	-2.0	-99.36	347.40	5.89	-93.47
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000422817	0	36	-2.0	-106.87	340.63	5.45	-101.42
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC)C=C1C(=O)[O-]	REAL300000422818	0	39	-2.0	-103.80	349.58	5.94	-97.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC)C=C1CC(=O)[O-]	REAL300000422819	0	40	-2.0	-104.39	366.09	4.89	-99.50
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000422820	0	36	-2.0	-91.96	341.88	5.93	-86.03
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000422821	0	36	-2.0	-99.86	346.84	5.72	-94.14
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC)C=C1C(=O)[O-]	REAL300000422822	0	37	-2.0	-101.85	343.64	4.98	-96.87
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000422823	0	45	-2.0	-102.25	380.76	7.64	-94.61
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000422824	0	36	-2.0	-95.52	345.48	5.72	-89.80
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000422825	0	42	-2.0	-99.09	365.04	6.88	-92.21
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000422826	0	37	-2.0	-103.22	355.94	5.39	-97.83
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000422827	0	36	-2.0	-92.07	335.68	5.40	-86.67
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000422828	0	38	-2.0	-94.05	358.87	6.95	-87.10
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000422829	0	36	-2.0	-100.56	335.57	5.56	-95.00
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000422830	0	35	-2.0	-109.21	339.35	6.62	-102.59
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000422831	0	33	-2.0	-106.22	319.25	4.78	-101.44
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000422832	0	36	-2.0	-93.89	336.78	5.33	-88.56
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000422833	0	39	-2.0	-110.08	356.64	6.89	-103.19
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000422834	0	32	-2.0	-99.78	311.82	2.89	-96.89
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000422835	0	37	-2.0	-94.26	343.82	4.55	-89.71
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000422836	0	30	-2.0	-90.59	315.72	3.74	-86.85
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000422837	0	40	-2.0	-96.53	361.74	6.65	-89.88
COC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000422838	0	40	-2.0	-98.97	359.70	6.63	-92.34
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC)C=C(C(=O)[O-])O1	REAL300000422839	0	36	-2.0	-96.22	337.75	4.75	-91.47
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000422842	1	42	-2.0	-107.99	364.21	5.74	-102.25
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1OC(C)C	REAL300000422843	0	46	-2.0	-113.35	392.34	5.54	-107.81
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1OC(C)C	REAL300000422844	1	46	-2.0	-95.24	395.66	7.04	-88.20
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1OC(C)C	REAL300000422846	0	42	-2.0	-103.57	377.27	6.32	-97.25
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000422847	1	42	-2.0	-103.69	376.72	6.14	-97.55
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1OC(C)C	REAL300000422848	1	48	-2.0	-111.10	396.90	7.09	-104.01
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1OC(C)C	REAL300000422849	0	42	-2.0	-105.05	369.67	5.81	-99.24
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1OC(C)C	REAL300000422850	1	48	-2.0	-94.53	407.76	7.34	-87.19
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1OC(C)C	REAL300000422851	0	39	-2.0	-102.26	357.40	4.76	-97.50
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1OC(C)C	REAL300000422852	1	45	-2.0	-108.73	379.63	6.53	-102.20
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000422854	1	43	-2.0	-106.38	370.86	5.09	-101.29
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1OC(C)C	REAL300000422856	0	42	-2.0	-98.28	373.32	5.42	-92.86
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000422858	0	39	-2.0	-103.67	355.85	4.78	-98.89
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC)C(OC(C)C)=C1	REAL300000422860	1	48	-2.0	-107.18	394.35	7.47	-99.71
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000422861	0	42	-2.0	-101.74	367.20	4.88	-96.86
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1OC(C)C	REAL300000422862	0	46	-2.0	-108.87	393.20	4.84	-104.03
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1OC(C)C	REAL300000422863	1	45	-2.0	-99.43	384.92	6.56	-92.87
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000422864	1	42	-2.0	-105.25	372.79	5.64	-99.61
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1OC(C)C	REAL300000422865	0	42	-2.0	-93.17	377.24	6.31	-86.86
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OC(C)C	REAL300000422866	1	42	-2.0	-95.02	368.74	5.79	-89.23
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1OC(C)C	REAL300000422867	0	39	-2.0	-97.04	356.48	4.88	-92.16
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000422868	1	42	-2.0	-98.81	370.62	5.81	-93.00
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1OC(C)C	REAL300000422869	0	45	-2.0	-106.50	389.95	6.45	-100.05
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1OC(C)C	REAL300000422870	0	42	-2.0	-94.89	369.65	5.82	-89.07
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1OC(C)C	REAL300000422871	1	42	-2.0	-93.10	376.71	6.15	-86.95
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1OC(C)C	REAL300000422872	0	43	-2.0	-107.64	373.91	3.46	-104.18
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1OC(C)C	REAL300000422872	1	43	-2.0	-105.01	362.92	4.35	-100.66
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1OC(C)C	REAL300000422873	1	45	-2.0	-99.02	386.36	6.53	-92.49
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1OC(C)C	REAL300000422874	1	45	-2.0	-104.07	374.38	6.40	-97.67
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1OC(C)C	REAL300000422879	0	45	-2.0	-106.30	385.30	6.34	-99.96
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1OC(C)C	REAL300000422880	0	45	-2.0	-112.64	389.25	6.44	-106.20
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000422882	1	46	-2.0	-107.71	392.20	5.96	-101.75
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1OC(C)C	REAL300000422885	0	42	-2.0	-111.91	367.83	5.77	-106.14
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000422886	1	45	-2.0	-100.56	389.58	6.43	-94.13
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1OC(C)C	REAL300000422887	0	41	-2.0	-105.03	361.20	3.80	-101.23
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1OC(C)C	REAL300000422888	0	46	-2.0	-99.72	392.40	5.54	-94.18
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000422889	0	39	-2.0	-95.71	364.34	4.74	-90.97
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C(OC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000422890	0	45	-2.0	-101.80	386.33	5.73	-96.07
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1O	REAL300000422891	1	42	-2.0	-91.07	373.11	2.25	-88.82
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=C(C)C=C1C	REAL300000422893	0	43	-2.0	-109.20	376.27	4.75	-104.45
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1O	REAL300000422895	1	35	-2.0	-109.73	316.65	3.66	-106.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=C(C)C=C1C	REAL300000422896	0	39	-2.0	-116.68	344.79	3.46	-113.22
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1O	REAL300000422897	1	39	-2.0	-97.09	348.10	4.96	-92.13
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1O	REAL300000422899	0	35	-2.0	-106.40	329.73	4.24	-102.16
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1O	REAL300000422900	1	35	-2.0	-106.37	329.16	4.06	-102.31
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=C1O	REAL300000422901	0	35	-2.0	-101.90	342.22	4.61	-97.29
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1O	REAL300000422902	1	41	-2.0	-114.39	349.32	5.02	-109.37
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1O	REAL300000422903	0	35	-2.0	-108.22	322.11	3.73	-104.49
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1O	REAL300000422904	1	41	-2.0	-96.41	360.22	5.25	-91.16
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1O	REAL300000422905	0	32	-2.0	-104.65	309.84	2.68	-101.97
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C(O)=C1	REAL300000422906	1	38	-2.0	-112.13	332.09	4.45	-107.68
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1O	REAL300000422908	1	36	-2.0	-108.13	323.30	3.01	-105.12
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=C(C)C(O)=C2)=C1	REAL300000422910	0	35	-2.0	-100.25	325.76	3.34	-96.91
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1O	REAL300000422912	0	32	-2.0	-105.41	308.31	2.70	-102.71
COC1=CC(S(=O)(=O)[N-]C2=CC(O)=C(C)C=C2C)=CC(C(=O)[O-])=C1OC	REAL300000422913	1	43	-2.0	-110.09	374.97	3.47	-106.62
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1O	REAL300000422915	1	45	-2.0	-115.26	371.88	6.29	-108.97
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1O	REAL300000422916	1	44	-2.0	-114.37	370.55	5.68	-108.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=C(C)C=C1C	REAL300000422917	1	41	-2.0	-110.38	346.15	5.37	-105.01
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=C(C)C=C1C	REAL300000422918	0	42	-2.0	-116.76	367.08	4.22	-112.54
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1O	REAL300000422919	0	38	-2.0	-113.43	344.33	4.14	-109.29
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1O	REAL300000422919	1	37	-3.0	-185.63	345.07	4.23	-181.40
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1O	REAL300000422920	1	42	-2.0	-115.53	360.90	5.56	-109.97
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C(O)=C2)C=C(C(=O)[O-])O1	REAL300000422921	0	35	-2.0	-104.55	319.67	2.80	-101.75
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1O	REAL300000422922	1	41	-2.0	-115.38	358.83	3.44	-111.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(O)=C(C)C=C2C)=C1	REAL300000422923	0	39	-2.0	-110.11	345.57	2.75	-107.36
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=C1O	REAL300000422925	1	35	-2.0	-99.20	344.33	4.51	-94.69
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1O	REAL300000422926	0	35	-2.0	-102.91	334.25	4.26	-98.65
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1O	REAL300000422927	1	39	-2.0	-94.15	363.75	4.49	-89.66
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=C1O	REAL300000422929	1	45	-2.0	-95.00	396.40	4.92	-90.08
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1O	REAL300000422930	1	38	-2.0	-102.35	337.36	4.48	-97.87
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1O	REAL300000422932	1	39	-2.0	-95.16	353.95	4.01	-91.15
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C(O)=C2)C=C(C(=O)[O-])S1	REAL300000422934	1	35	-2.0	-108.20	326.35	3.55	-104.65
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C1O	REAL300000422935	0	35	-2.0	-99.96	344.88	4.67	-95.29
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1O	REAL300000422936	0	35	-2.0	-94.71	329.71	4.23	-90.48
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1O	REAL300000422937	1	35	-2.0	-96.85	321.17	3.70	-93.15
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1O	REAL300000422938	0	32	-2.0	-99.04	308.91	2.79	-96.25
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1O	REAL300000422939	1	35	-2.0	-101.24	323.07	3.73	-97.51
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1O	REAL300000422940	0	38	-2.0	-109.72	342.40	4.36	-105.36
COC1=CC(S(=O)(=O)[N-]C2=CC(O)=C(C)C=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000422941	0	39	-2.0	-99.23	356.95	4.28	-94.95
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1O	REAL300000422942	0	35	-2.0	-96.66	322.12	3.74	-92.92
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1O	REAL300000422943	1	35	-2.0	-94.93	329.14	4.07	-90.86
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1O	REAL300000422944	1	38	-2.0	-104.11	346.10	4.87	-99.24
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1O	REAL300000422945	1	43	-2.0	-93.87	380.38	5.08	-88.79
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1O	REAL300000422946	1	35	-2.0	-98.51	327.47	3.76	-94.75
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1O	REAL300000422947	1	37	-2.0	-95.20	344.84	4.33	-90.87
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1O	REAL300000422948	0	36	-2.0	-111.09	326.37	1.38	-109.71
CC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1O	REAL300000422948	1	36	-2.0	-107.86	320.43	2.24	-105.62
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1O	REAL300000422949	1	38	-2.0	-101.47	338.82	4.45	-97.02
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1O	REAL300000422950	1	35	-2.0	-99.96	337.36	4.19	-95.77
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1O	REAL300000422951	1	38	-2.0	-105.38	326.70	4.31	-101.07
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1O	REAL300000422955	0	37	-2.0	-108.54	343.21	4.75	-103.79
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1O	REAL300000422956	0	35	-2.0	-99.51	328.39	3.79	-95.72
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1O	REAL300000422958	0	38	-2.0	-109.46	338.13	4.26	-105.20
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1O	REAL300000422959	0	38	-2.0	-108.19	348.44	4.80	-103.39
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(O)=C(C)C=C2C)=C1	REAL300000422960	0	38	-2.0	-113.99	341.70	4.36	-109.63
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1O	REAL300000422963	1	38	-2.0	-98.82	342.92	4.85	-93.97
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1O	REAL300000422964	1	38	-2.0	-93.92	346.76	4.47	-89.45
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1O	REAL300000422965	1	38	-2.0	-108.17	347.87	4.62	-103.55
CCN1C=C(S(=O)(=O)[N-]C2=CC(O)=C(C)C=C2C)C=C1C(=O)[O-]	REAL300000422966	1	39	-2.0	-110.12	344.61	3.87	-106.25
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=C1O	REAL300000422968	0	35	-2.0	-98.11	342.25	4.22	-93.89
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1O	REAL300000422969	1	38	-2.0	-103.09	346.52	4.63	-98.46
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1O	REAL300000422970	0	44	-2.0	-107.68	366.09	5.80	-101.88
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(O)=C(C)C=C2C)C=C1C(=O)[O-]	REAL300000422971	1	39	-2.0	-112.06	356.98	4.30	-107.76
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1O	REAL300000422973	0	40	-2.0	-101.29	357.37	5.83	-95.46
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1O	REAL300000422975	0	37	-2.0	-115.93	340.38	5.52	-110.41
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1O	REAL300000422976	0	35	-2.0	-113.11	320.29	3.69	-109.42
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1O	REAL300000422977	1	38	-2.0	-101.42	337.82	4.24	-97.18
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1O	REAL300000422978	1	41	-2.0	-119.08	357.69	5.78	-113.30
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1O	REAL300000422979	0	34	-2.0	-107.95	313.64	1.73	-106.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(O)=C(C)C=C1C	REAL300000422980	0	39	-2.0	-101.80	344.86	3.46	-98.34
CC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1O	REAL300000422981	0	32	-2.0	-98.08	316.77	2.65	-95.43
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1O	REAL300000422982	1	42	-2.0	-104.11	362.79	5.55	-98.56
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1O	REAL300000422983	1	42	-2.0	-106.30	360.75	5.53	-100.77
CCC1=C(S(=O)(=O)[N-]C2=CC(O)=C(C)C=C2C)C=C(C(=O)[O-])O1	REAL300000422984	0	38	-2.0	-104.50	338.77	3.65	-100.85
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000422985	0	38	-2.0	-99.44	368.36	7.55	-91.89
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000422986	0	38	-2.0	-111.94	368.38	7.54	-104.40
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000422987	0	41	-2.0	-113.08	384.40	8.08	-105.00
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000422988	0	35	-2.0	-106.22	361.57	6.57	-99.65
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000422989	0	41	-2.0	-113.22	383.82	8.33	-104.89
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000422990	0	39	-2.0	-110.37	375.03	6.89	-103.48
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000422991	0	35	-2.0	-107.69	360.04	6.56	-101.13
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000422992	0	38	-2.0	-106.05	371.39	6.69	-99.36
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000422993	0	35	-2.0	-101.18	360.64	6.67	-94.51
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000422994	0	39	-2.0	-112.37	378.10	5.27	-107.10
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000422995	0	41	-2.0	-103.08	390.55	8.33	-94.75
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000422996	0	41	-2.0	-107.66	378.45	8.18	-99.48
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000422997	0	41	-2.0	-99.67	383.80	8.32	-91.35
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000422998	0	41	-2.0	-99.60	384.39	8.09	-91.51
CC1=CN(C2=CC=C(C#N)C=N2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000422999	0	37	-2.0	-109.60	364.60	5.67	-103.93
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000423000	0	40	-2.0	-113.37	361.38	5.79	-107.58
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000423001	0	40	-2.0	-103.14	356.82	5.77	-97.37
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000423002	0	40	-2.0	-116.33	356.85	5.76	-110.57
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000423003	0	44	-2.0	-102.08	388.30	7.06	-95.02
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000423004	0	43	-2.0	-117.60	372.87	6.30	-111.30
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=NC=CC=C12	REAL300000423005	0	40	-2.0	-113.49	362.32	5.83	-107.66
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=NC=CC=C12	REAL300000423006	0	37	-2.0	-110.35	350.03	4.78	-105.57
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C2=NC=CC=C12	REAL300000423007	0	43	-2.0	-116.37	372.28	6.56	-109.81
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000423008	0	41	-2.0	-114.37	363.49	5.11	-109.26
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C2=NC=CC=C12	REAL300000423009	0	40	-2.0	-106.31	365.98	5.45	-100.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000423010	0	37	-2.0	-111.82	348.50	4.80	-107.02
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000423011	0	40	-2.0	-109.14	359.85	4.90	-104.24
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000423012	0	40	-2.0	-112.60	365.47	5.66	-106.94
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=NC=CC=C12	REAL300000423013	0	40	-2.0	-102.43	361.36	5.80	-96.63
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=NC=CC=C12	REAL300000423014	0	37	-2.0	-105.01	349.10	4.89	-100.12
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000423015	0	40	-2.0	-106.84	363.26	5.82	-101.02
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=NC=CC=C12	REAL300000423016	0	40	-2.0	-102.77	362.31	5.84	-96.93
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=NC=CC=C12	REAL300000423017	0	41	-2.0	-115.09	366.56	3.48	-111.61
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000423018	0	43	-2.0	-106.61	379.01	6.55	-100.06
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C2=NC=CC=C12	REAL300000423019	0	43	-2.0	-112.45	366.88	6.39	-106.06
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C2=NC=CC=C12	REAL300000423020	0	43	-2.0	-102.89	372.26	6.54	-96.35
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000423021	0	44	-2.0	-115.71	384.87	5.98	-109.73
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C2=NC=CC=C12	REAL300000423022	0	43	-2.0	-103.33	372.86	6.31	-97.02
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=NC=CC=C12	REAL300000423023	0	40	-2.0	-120.83	360.49	5.79	-115.04
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=NC=CC=C12	REAL300000423024	0	39	-2.0	-114.20	353.05	3.88	-110.32
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000423025	0	37	-2.0	-103.20	356.95	4.75	-98.45
CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000423026	0	43	-2.0	-108.51	378.97	5.75	-102.76
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000423027	0	38	-2.0	-112.64	345.14	5.17	-107.47
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000423028	0	38	-2.0	-99.01	344.97	5.09	-93.92
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000423029	0	38	-2.0	-113.30	344.98	5.08	-108.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N(C)C	REAL300000423030	0	42	-2.0	-114.44	373.51	4.93	-109.51
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000423031	0	42	-2.0	-100.21	371.62	6.44	-93.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000423032	0	41	-2.0	-111.54	359.75	5.61	-105.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)=C1C	REAL300000423033	0	44	-2.0	-114.71	378.09	6.42	-108.29
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000423034	0	38	-2.0	-110.19	346.08	5.21	-104.98
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000423035	0	44	-2.0	-97.04	388.55	6.67	-90.37
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000423036	0	35	-2.0	-106.78	337.82	4.12	-102.66
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N(C)C	REAL300000423037	0	41	-2.0	-110.85	356.46	5.91	-104.94
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000423038	0	42	-2.0	-96.95	376.74	5.36	-91.59
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000423039	0	39	-2.0	-111.01	351.28	4.46	-106.55
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N(C)C	REAL300000423040	0	42	-2.0	-113.19	368.76	3.92	-109.27
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)=C1	REAL300000423041	0	38	-2.0	-100.96	353.76	4.79	-96.17
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000423042	0	44	-2.0	-116.93	376.40	6.56	-110.37
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000423043	0	35	-2.0	-105.62	336.64	4.11	-101.51
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000423044	0	42	-2.0	-119.32	372.27	5.15	-114.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N(C)C	REAL300000423045	0	44	-2.0	-111.03	374.72	6.80	-104.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000423046	0	38	-2.0	-106.13	343.17	4.29	-101.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)=C1	REAL300000423047	0	42	-2.0	-111.46	373.97	4.18	-107.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N(C)C	REAL300000423048	0	41	-2.0	-103.00	365.34	5.92	-97.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)C=C(C(=O)[O-])S1	REAL300000423049	0	38	-2.0	-109.38	354.27	4.98	-104.40
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000423050	0	38	-2.0	-98.47	350.19	5.12	-93.35
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000423051	0	35	-2.0	-100.21	337.24	4.21	-96.00
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000423052	0	38	-2.0	-101.42	351.42	5.14	-96.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)=C1F	REAL300000423053	0	41	-2.0	-110.43	370.73	5.78	-104.65
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000423054	0	38	-2.0	-98.33	350.45	5.15	-93.18
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000423055	0	39	-2.0	-111.15	354.71	2.79	-108.36
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000423056	0	41	-2.0	-102.18	367.18	5.85	-96.33
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N(C)C	REAL300000423057	0	41	-2.0	-110.30	351.30	5.78	-104.52
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)=CC(C(=O)[O-])=C1F	REAL300000423058	0	41	-2.0	-109.18	369.89	5.73	-103.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N(C)C	REAL300000423059	0	41	-2.0	-99.65	361.06	5.86	-93.79
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)=CC(C(=O)[O-])=C1C	REAL300000423060	0	44	-2.0	-117.57	378.00	6.15	-111.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)C(C)=C1C(=O)[O-]	REAL300000423061	0	44	-2.0	-112.14	378.53	6.49	-105.65
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000423062	0	41	-2.0	-113.07	366.11	5.84	-107.23
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)=C1	REAL300000423063	0	41	-2.0	-115.49	370.01	5.77	-109.72
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000423064	0	44	-2.0	-112.70	378.16	6.29	-106.41
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000423065	0	42	-2.0	-113.18	373.02	5.30	-107.88
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)=CC=C1C(=O)[O-]	REAL300000423066	0	41	-2.0	-103.13	360.65	5.77	-97.36
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N(C)C	REAL300000423067	0	41	-2.0	-110.69	365.01	5.90	-104.79
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000423068	0	38	-2.0	-114.82	349.29	5.10	-109.72
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000423069	0	41	-2.0	-105.44	366.14	5.68	-99.76
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000423070	0	37	-2.0	-108.12	341.19	3.20	-104.92
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N(C)C	REAL300000423071	0	42	-2.0	-103.30	373.18	4.88	-98.42
CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000423072	0	35	-2.0	-101.16	340.71	4.13	-97.03
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000423073	0	41	-2.0	-105.44	366.74	5.09	-100.35
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1	REAL300000423074	0	33	-2.0	-81.91	312.04	1.62	-80.29
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1	REAL300000423075	0	34	-2.0	-98.38	315.20	4.12	-94.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1	REAL300000423076	0	30	-2.0	-103.91	283.72	2.83	-101.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC=C1Br	REAL300000423077	0	26	-2.0	-94.35	271.82	3.52	-90.83
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1	REAL300000423078	0	30	-2.0	-87.52	287.03	4.33	-83.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=C1C	REAL300000423079	0	32	-2.0	-101.82	287.98	4.35	-97.47
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1	REAL300000423080	0	32	-2.0	-86.60	299.15	4.62	-81.98
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1	REAL300000423081	0	30	-2.0	-86.13	286.65	3.32	-82.81
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CN=CN=C3)C=C2)C1	REAL300000423082	0	37	-2.0	-82.83	332.42	4.09	-78.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=C(Br)S1	REAL300000423083	0	23	-2.0	-90.59	265.76	2.81	-87.78
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1	REAL300000423084	0	30	-2.0	-100.77	279.78	1.85	-98.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1C(=O)[O-]	REAL300000423085	0	32	-2.0	-101.21	287.04	4.36	-96.85
COC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC(C(=O)[O-])=C1OC	REAL300000423086	0	34	-2.0	-99.11	313.89	2.84	-96.27
COC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1C(=O)[O-]	REAL300000423087	0	30	-2.0	-104.57	282.87	3.10	-101.47
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN=CN=C2)=C1	REAL300000423088	0	36	-2.0	-103.43	310.81	5.66	-97.77
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1	REAL300000423089	0	35	-2.0	-102.16	309.48	5.04	-97.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1	REAL300000423090	0	32	-2.0	-99.03	285.72	4.77	-94.26
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1	REAL300000423091	0	33	-2.0	-104.05	306.01	3.60	-100.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC(C(=O)[O-])=C1	REAL300000423092	0	28	-3.0	-170.89	283.98	3.58	-167.31
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN=CN=C2)=C1	REAL300000423093	0	33	-2.0	-103.71	299.83	4.93	-98.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC2=C1OCCO2	REAL300000423094	0	32	-2.0	-103.30	297.75	2.80	-100.50
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=CN=C2)=C1	REAL300000423095	0	30	-2.0	-99.23	284.48	2.13	-97.10
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN=CN=C3)C=C2C1	REAL300000423096	0	34	-2.0	-87.17	309.21	3.65	-83.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC(Cl)=C1Cl	REAL300000423097	0	26	-2.0	-88.86	283.25	3.88	-84.98
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1Cl	REAL300000423098	0	30	-2.0	-84.94	302.68	3.85	-81.09
CC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC=C1OCC(=O)[O-]	REAL300000423099	0	33	-2.0	-86.48	306.74	4.02	-82.46
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1F	REAL300000423100	0	36	-2.0	-86.24	335.33	4.28	-81.96
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1	REAL300000423101	0	29	-2.0	-91.22	276.29	3.86	-87.36
CC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC=C1OCCCC(=O)[O-]	REAL300000423102	0	39	-2.0	-86.99	349.17	4.95	-82.04
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1F	REAL300000423103	0	30	-2.0	-85.97	292.87	3.38	-82.59
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1Cl	REAL300000423104	0	36	-2.0	-85.84	345.13	4.77	-81.07
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1C(=O)[O-]	REAL300000423105	0	33	-2.0	-105.25	304.71	4.01	-101.24
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CN=CN=C2)=C1	REAL300000423106	0	26	-2.0	-88.86	283.80	4.05	-84.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C(Cl)=C1	REAL300000423107	0	26	-2.0	-85.00	268.63	3.59	-81.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C(Br)=C1	REAL300000423108	0	26	-2.0	-84.68	271.98	3.75	-80.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=C1F	REAL300000423109	0	29	-2.0	-97.20	281.35	3.73	-93.47
COC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000423110	0	30	-2.0	-89.58	295.89	3.65	-85.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1Cl	REAL300000423111	0	26	-2.0	-84.94	268.09	3.43	-81.51
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1	REAL300000423112	0	29	-2.0	-92.82	285.02	4.24	-88.58
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]C1=CN=CN=C1	REAL300000423113	0	29	-2.0	-89.86	290.70	4.38	-85.48
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1	REAL300000423114	0	34	-2.0	-84.75	319.32	4.44	-80.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1Br	REAL300000423115	0	26	-2.0	-84.47	271.82	3.53	-80.94
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=C1	REAL300000423116	0	28	-2.0	-84.56	283.77	3.70	-80.86
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1C(=O)[O-]	REAL300000423117	0	29	-2.0	-92.54	289.48	4.09	-88.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC(Cl)=C1F	REAL300000423118	0	26	-2.0	-89.99	276.28	3.56	-86.43
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1	REAL300000423119	0	29	-2.0	-93.30	289.05	4.33	-88.97
CC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC(C(=O)[O-])=C1F	REAL300000423120	0	29	-2.0	-97.97	280.41	3.68	-94.29
CC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC(C(=O)[O-])=C1C	REAL300000423121	0	32	-2.0	-101.27	288.45	4.10	-97.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC=C1[N+](=O)[O-]	REAL300000423122	0	28	-2.0	-98.21	282.16	4.12	-94.09
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN=CN=C2)=C1	REAL300000423123	0	26	-2.0	-87.91	267.34	3.16	-84.75
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CN=CN=C2)S1	REAL300000423124	0	23	-2.0	-86.29	268.16	2.72	-83.57
CC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C(C)=C1C(=O)[O-]	REAL300000423125	0	32	-2.0	-99.05	290.06	4.41	-94.64
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1C(=O)[O-]	REAL300000423126	0	29	-2.0	-96.87	277.06	3.63	-93.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=C1Cl	REAL300000423127	0	29	-2.0	-96.52	287.32	4.18	-92.34
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=CN=C2)=C1	REAL300000423128	0	29	-2.0	-102.86	280.62	3.72	-99.14
COC1=CC(Br)=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1C(=O)[O-]	REAL300000423129	0	30	-2.0	-100.06	299.25	3.81	-96.25
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1C(=O)[O-]	REAL300000423130	0	32	-2.0	-100.25	289.52	4.22	-96.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=C(Br)C=C1F	REAL300000423131	0	26	-2.0	-91.72	276.51	3.78	-87.94
COC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1CC(=O)[O-]	REAL300000423132	0	33	-2.0	-100.83	306.04	3.16	-97.67
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN=CN=C1	REAL300000423133	0	29	-2.0	-89.54	286.13	4.29	-85.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1C(F)(F)F	REAL300000423134	0	29	-2.0	-84.17	285.69	3.84	-80.33
CC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC(C(=O)[O-])=C1Cl	REAL300000423135	0	29	-2.0	-96.45	286.80	3.99	-92.46
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=C1	REAL300000423136	0	26	-2.0	-91.72	276.87	3.64	-88.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=C1Br	REAL300000423137	0	29	-2.0	-96.28	290.14	4.31	-91.97
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=CN=C2)C(C)=C1CC(=O)[O-]	REAL300000423138	0	38	-2.0	-99.10	320.73	5.89	-93.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC(Br)=C1Cl	REAL300000423139	0	26	-2.0	-89.22	287.46	3.98	-85.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=C(F)C(Cl)=C1F	REAL300000423140	0	26	-2.0	-87.02	281.16	3.59	-83.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C(OC(F)(F)F)=C1	REAL300000423141	0	30	-2.0	-86.13	300.28	3.33	-82.80
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1C(=O)[O-]	REAL300000423142	0	29	-2.0	-92.14	285.46	4.00	-88.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=C(Br)C=C1Cl	REAL300000423143	0	26	-2.0	-90.44	284.49	4.14	-86.30
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1C(=O)[O-]	REAL300000423144	0	30	-2.0	-100.34	295.90	3.66	-96.68
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=CN=CN=C2)C(C)=C1C(=O)[O-]	REAL300000423145	0	32	-2.0	-92.58	307.83	4.93	-87.65
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2)C([N+](=O)[O-])=C1	REAL300000423146	0	31	-2.0	-91.50	296.30	5.19	-86.31
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1	REAL300000423147	0	29	-2.0	-98.16	275.53	3.85	-94.31
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=C1[N+](=O)[O-]	REAL300000423148	0	28	-2.0	-105.70	279.33	4.89	-100.81
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=CN=C2)C=C1C(=O)[O-]	REAL300000423149	0	29	-2.0	-90.56	276.76	3.60	-86.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC2=CC=CC=C21	REAL300000423150	0	32	-2.0	-106.50	296.62	5.15	-101.35
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=CN=C1	REAL300000423151	0	30	-2.0	-90.94	283.78	2.84	-88.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=C(Cl)O1	REAL300000423152	0	23	-2.0	-87.25	255.73	2.00	-85.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CN=C2)=CC=C1OC(F)(F)F	REAL300000423153	0	30	-2.0	-94.48	299.37	3.58	-90.90
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=CN=C2)=C1	REAL300000423154	0	29	-2.0	-90.01	298.92	0.07	-89.94
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN=CN=C3)C=C2)CC1	REAL300000423155	0	33	-2.0	-93.67	301.71	4.92	-88.75
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN=CN=C3)C=C2C1	REAL300000423156	0	33	-2.0	-96.08	301.02	4.92	-91.16
CCOC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300000423157	1	35	-2.0	-87.84	353.03	6.49	-81.35
CCOC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000423158	1	35	-2.0	-99.83	353.05	6.48	-93.35
CCOC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000423159	0	32	-2.0	-93.92	346.23	5.50	-88.42
CCOC1=C(Cl)C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000423160	0	36	-2.0	-98.20	359.69	5.84	-92.36
CCOC1=C(Cl)C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000423161	0	32	-2.0	-95.32	344.69	5.52	-89.80
CCOC1=C(Cl)C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000423162	0	35	-2.0	-94.04	356.05	5.62	-88.42
CCOC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000423163	0	32	-2.0	-89.34	345.31	5.61	-83.73
CCOC1=C(Cl)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000423164	0	34	-2.0	-96.99	350.03	4.54	-92.45
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC3CCC(=O)C4=CC=CC2=C43)=C1	REAL300000423200	0	39	-2.0	-107.96	334.91	6.37	-101.59
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000423224	1	42	-2.0	-107.87	364.19	5.74	-102.13
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C(OC)=C1	REAL300000423225	0	46	-2.0	-113.22	392.36	5.54	-107.68
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1OC(C)C	REAL300000423226	1	46	-2.0	-95.11	395.67	7.04	-88.07
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1OC(C)C	REAL300000423228	0	42	-2.0	-103.48	377.28	6.32	-97.16
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000423229	1	42	-2.0	-103.72	376.72	6.14	-97.58
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1OC(C)C	REAL300000423230	1	48	-2.0	-111.05	396.87	7.09	-103.96
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1OC(C)C	REAL300000423231	0	42	-2.0	-104.87	369.69	5.81	-99.06
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1OC(C)C	REAL300000423232	1	48	-2.0	-94.46	407.77	7.34	-87.12
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1OC(C)C	REAL300000423233	0	39	-2.0	-102.08	357.38	4.76	-97.32
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1OC(C)C	REAL300000423234	1	45	-2.0	-108.98	379.62	6.53	-102.45
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000423236	1	43	-2.0	-106.15	370.86	5.09	-101.06
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1OC(C)C	REAL300000423238	0	42	-2.0	-98.18	373.33	5.42	-92.76
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000423240	0	39	-2.0	-103.52	355.86	4.78	-98.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C(OC)=C1	REAL300000423242	1	48	-2.0	-107.34	394.36	7.46	-99.88
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000423243	0	42	-2.0	-101.72	367.22	4.88	-96.84
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1OC(C)C	REAL300000423244	0	46	-2.0	-109.02	393.20	4.84	-104.18
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1OC(C)C	REAL300000423245	1	45	-2.0	-99.44	384.90	6.56	-92.88
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000423246	1	42	-2.0	-105.18	372.81	5.64	-99.54
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1OC(C)C	REAL300000423247	0	42	-2.0	-93.08	377.26	6.31	-86.77
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1OC(C)C	REAL300000423248	1	42	-2.0	-94.85	368.74	5.78	-89.07
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1OC(C)C	REAL300000423249	0	39	-2.0	-96.97	356.48	4.88	-92.09
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000423250	1	42	-2.0	-98.69	370.60	5.81	-92.88
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1OC(C)C	REAL300000423251	0	45	-2.0	-106.39	389.96	6.44	-99.95
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1OC(C)C	REAL300000423252	0	42	-2.0	-94.75	369.68	5.82	-88.93
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1OC(C)C	REAL300000423253	1	42	-2.0	-92.95	376.69	6.15	-86.80
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1OC(C)C	REAL300000423254	0	43	-2.0	-107.71	373.92	3.46	-104.25
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1OC(C)C	REAL300000423254	1	43	-2.0	-106.74	373.04	4.24	-102.50
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1OC(C)C	REAL300000423255	1	45	-2.0	-99.54	386.37	6.53	-93.01
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1OC(C)C	REAL300000423256	1	45	-2.0	-104.13	374.77	6.42	-97.71
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1OC(C)C	REAL300000423261	0	45	-2.0	-106.06	385.75	6.35	-99.71
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1OC(C)C	REAL300000423262	0	45	-2.0	-112.49	389.23	6.44	-106.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(OC)=C2)C=C1C(=O)[O-]	REAL300000423264	1	46	-2.0	-107.42	392.20	5.96	-101.46
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1OC(C)C	REAL300000423267	0	42	-2.0	-111.88	367.83	5.77	-106.11
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000423268	1	45	-2.0	-100.53	389.57	6.43	-94.10
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1OC(C)C	REAL300000423269	0	41	-2.0	-104.89	361.17	3.80	-101.09
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1OC(C)C	REAL300000423270	0	46	-2.0	-99.65	392.40	5.54	-94.11
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000423271	0	39	-2.0	-95.51	364.35	4.72	-90.79
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000423272	0	45	-2.0	-101.73	386.32	5.73	-96.00
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423273	0	38	-2.0	-112.77	344.44	4.53	-108.24
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423274	0	35	-2.0	-113.92	329.00	3.76	-110.16
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C1O	REAL300000423275	0	34	-2.0	-109.46	310.13	2.94	-106.52
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1O	REAL300000423277	0	29	-2.0	-118.14	282.72	3.37	-114.77
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1O	REAL300000423278	0	31	-3.0	-165.30	307.68	2.81	-162.49
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1O	REAL300000423278	1	32	-2.0	-100.91	307.73	2.77	-98.14
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1O	REAL300000423279	0	28	-2.0	-101.97	286.07	1.73	-100.24
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423280	0	30	-2.0	-107.50	295.05	3.50	-104.00
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423281	0	30	-2.0	-103.64	295.03	3.49	-100.15
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1O	REAL300000423282	0	29	-2.0	-107.97	296.44	3.68	-104.29
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)=C1O	REAL300000423283	0	32	-2.0	-106.83	316.83	5.00	-101.83
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1Br	REAL300000423284	0	32	-2.0	-105.62	313.71	4.29	-101.33
CC1=CC=CC(OC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C2)=C1	REAL300000423285	0	43	-2.0	-107.97	384.32	6.63	-101.34
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1O	REAL300000423286	0	29	-2.0	-111.08	290.70	3.82	-107.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1NC(C)=O	REAL300000423287	0	40	-2.0	-124.62	358.29	1.42	-123.20
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=C1O	REAL300000423288	0	33	-2.0	-103.62	320.21	2.88	-100.74
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423289	0	38	-3.0	-159.45	359.13	2.25	-157.20
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423289	1	39	-2.0	-99.06	359.10	2.19	-96.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000423290	0	31	-3.0	-177.92	307.21	3.70	-174.22
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000423290	1	32	-2.0	-111.72	307.22	3.63	-108.09
CC1=C(C)C(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=C1C	REAL300000423291	0	44	-2.0	-114.42	351.32	6.29	-108.13
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1O	REAL300000423292	0	38	-2.0	-110.64	337.03	3.05	-107.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1[N+](=O)[O-]	REAL300000423293	0	34	-2.0	-109.79	318.43	4.30	-105.49
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423294	0	39	-3.0	-176.38	362.30	4.75	-171.63
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=C1O	REAL300000423295	0	26	-2.0	-103.78	287.83	2.83	-100.95
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000423296	0	35	-2.0	-107.64	333.94	5.61	-102.03
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423297	0	47	-2.0	-110.74	380.55	7.10	-103.64
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=C1O	REAL300000423298	0	45	-2.0	-110.04	376.07	6.90	-103.14
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1O	REAL300000423299	0	32	-2.0	-103.15	312.94	4.10	-99.05
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1O	REAL300000423300	0	39	-2.0	-112.91	336.93	5.59	-107.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423301	0	31	-3.0	-165.78	302.67	3.68	-162.10
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423301	1	32	-2.0	-103.47	302.61	3.61	-99.86
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423302	0	37	-2.0	-118.52	331.95	2.19	-116.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1OC	REAL300000423303	0	37	-2.0	-109.53	332.94	2.31	-107.22
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1O	REAL300000423304	0	36	-2.0	-113.08	319.73	5.01	-108.07
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423305	0	31	-2.0	-101.88	287.30	2.05	-99.83
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1O	REAL300000423306	0	29	-2.0	-102.19	306.13	4.08	-98.11
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423307	0	31	-3.0	-179.40	302.68	3.67	-175.73
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423307	1	32	-2.0	-110.49	302.72	3.61	-106.88
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1O	REAL300000423308	0	29	-2.0	-101.30	286.91	3.22	-98.08
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1O	REAL300000423309	0	29	-2.0	-107.08	304.07	4.18	-102.90
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1O	REAL300000423310	0	32	-2.0	-106.96	312.95	4.10	-102.86
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423311	0	32	-2.0	-111.76	295.62	3.77	-107.99
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1O	REAL300000423313	0	32	-2.0	-114.32	300.09	4.48	-109.84
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)=C1O	REAL300000423314	0	32	-2.0	-101.47	326.11	4.52	-96.95
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1O	REAL300000423315	0	29	-2.0	-107.54	290.94	3.62	-103.92
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)=C1O	REAL300000423316	0	32	-2.0	-106.22	326.41	4.67	-101.55
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423317	0	34	-2.0	-109.45	314.69	3.50	-105.95
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423318	0	35	-2.0	-111.30	311.11	4.55	-106.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C	REAL300000423319	0	35	-2.0	-112.75	312.63	4.31	-108.44
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1O	REAL300000423320	0	29	-2.0	-101.52	296.80	3.67	-97.85
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423321	0	34	-2.0	-120.50	316.98	3.59	-116.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000423322	0	35	-2.0	-110.78	311.11	4.55	-106.23
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423323	0	35	-2.0	-122.91	319.46	4.50	-118.41
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423324	0	38	-2.0	-105.92	350.84	4.70	-101.22
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1O	REAL300000423325	0	29	-2.0	-109.12	302.53	4.12	-105.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1[N+](=O)[O-]	REAL300000423326	0	35	-2.0	-109.11	329.72	3.85	-105.26
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423327	0	41	-2.0	-110.60	350.43	5.41	-105.19
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423328	0	38	-2.0	-110.51	334.44	5.04	-105.47
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423329	0	41	-2.0	-110.31	352.90	5.69	-104.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423330	0	35	-3.0	-183.21	330.82	3.46	-179.75
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423331	0	35	-3.0	-165.19	334.13	4.96	-160.23
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423331	1	36	-2.0	-103.66	334.08	4.91	-98.75
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1O	REAL300000423332	0	29	-2.0	-111.91	297.82	4.41	-107.50
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1O	REAL300000423333	0	26	-2.0	-103.61	283.20	2.72	-100.89
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423334	0	38	-2.0	-110.63	338.62	5.32	-105.31
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423335	0	33	-2.0	-117.52	302.45	2.89	-114.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423336	0	34	-3.0	-184.15	322.75	4.30	-179.85
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423336	1	35	-2.0	-110.34	319.32	4.15	-106.19
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423337	0	40	-2.0	-118.56	358.82	1.78	-116.78
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1O	REAL300000423338	0	29	-2.0	-106.66	292.27	3.29	-103.37
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1O	REAL300000423339	0	29	-2.0	-102.62	307.68	4.13	-98.49
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1O	REAL300000423340	0	29	-2.0	-111.87	287.35	3.67	-108.20
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1O	REAL300000423341	0	29	-2.0	-107.42	295.51	3.72	-103.70
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1O	REAL300000423342	0	31	-2.0	-107.79	302.43	3.77	-104.02
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423343	0	34	-2.0	-106.18	317.93	4.55	-101.63
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=C1O	REAL300000423344	0	31	-2.0	-102.92	314.88	4.15	-98.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423345	0	33	-2.0	-109.08	303.72	2.40	-106.68
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1O	REAL300000423346	0	31	-2.0	-122.15	295.31	4.52	-117.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423347	0	32	-2.0	-111.26	295.63	3.77	-107.49
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423348	0	36	-2.0	-108.75	325.55	3.33	-105.42
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1O	REAL300000423349	0	29	-2.0	-107.38	286.12	3.23	-104.15
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1O	REAL300000423350	0	29	-2.0	-107.63	280.62	3.17	-104.46
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1O	REAL300000423351	0	29	-2.0	-101.96	287.03	3.23	-98.73
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1C	REAL300000423352	0	41	-2.0	-112.02	338.30	5.85	-106.17
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1O	REAL300000423353	0	35	-2.0	-111.63	318.70	2.26	-109.37
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000423354	0	38	-2.0	-111.66	326.05	5.47	-106.19
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423355	0	44	-2.0	-112.27	365.91	6.20	-106.07
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1O	REAL300000423356	0	29	-2.0	-104.61	290.94	3.62	-100.99
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1O	REAL300000423357	0	29	-2.0	-104.60	295.50	3.72	-100.88
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1O	REAL300000423358	0	31	-2.0	-99.77	302.45	3.76	-96.01
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423359	0	36	-2.0	-116.42	330.55	2.00	-114.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423360	0	29	-2.0	-110.25	288.04	2.90	-107.35
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423361	0	45	-2.0	-115.07	389.34	4.03	-111.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1C	REAL300000423362	0	37	-3.0	-179.51	335.78	5.00	-174.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)=C1C	REAL300000423362	1	38	-2.0	-105.65	336.14	5.00	-100.65
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423363	0	33	-2.0	-110.67	319.20	3.42	-107.25
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423364	0	32	-2.0	-106.67	311.00	4.50	-102.17
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423365	0	31	-3.0	-175.32	308.15	3.73	-171.59
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1O	REAL300000423366	0	26	-2.0	-102.38	297.05	3.25	-99.13
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423367	0	44	-2.0	-110.51	377.68	6.61	-103.90
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423368	0	34	-2.0	-107.47	312.46	4.37	-103.10
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1O	REAL300000423369	0	29	-2.0	-110.09	286.12	3.23	-106.86
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423370	0	37	-3.0	-165.83	346.25	5.25	-160.58
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423370	1	38	-2.0	-100.38	346.27	5.19	-95.19
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423371	0	39	-2.0	-116.12	350.86	2.81	-113.31
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1O	REAL300000423372	0	33	-2.0	-106.88	309.97	-0.09	-106.97
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)=C1O	REAL300000423373	0	36	-2.0	-108.36	345.13	3.79	-104.57
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423374	0	33	-2.0	-108.90	314.43	4.13	-104.77
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=CC=C1	REAL300000423375	0	34	-2.0	-107.67	316.23	1.55	-106.12
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=CC=C1	REAL300000423376	0	37	-2.0	-108.72	334.03	2.28	-106.44
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1OCC	REAL300000423377	0	43	-2.0	-109.60	376.66	4.16	-105.44
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)=C1O	REAL300000423378	0	34	-2.0	-108.77	322.47	3.28	-105.49
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423379	0	28	-3.0	-173.98	295.86	2.68	-171.30
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1O	REAL300000423380	0	32	-2.0	-106.66	305.95	0.60	-106.06
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423381	0	34	-3.0	-177.60	318.11	4.45	-173.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1O	REAL300000423381	1	35	-2.0	-104.74	319.14	4.47	-100.27
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423382	0	35	-2.0	-109.35	311.83	2.17	-107.18
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423383	0	37	-2.0	-116.48	350.82	-0.72	-117.20
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1C	REAL300000423384	0	37	-2.0	-105.84	335.64	5.11	-100.73
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C2CC1C	REAL300000423385	0	43	-2.0	-118.82	369.34	4.71	-114.11
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423386	0	35	-2.0	-106.26	328.98	3.77	-102.49
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423387	0	36	-2.0	-110.55	330.64	1.39	-109.16
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423388	0	34	-2.0	-110.03	328.47	-1.95	-111.98
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)=C1O	REAL300000423389	0	33	-2.0	-107.15	329.50	3.22	-103.93
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)=C1O	REAL300000423390	0	40	-2.0	-117.42	352.01	4.22	-113.20
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000423391	0	43	-2.0	-121.10	366.88	4.71	-116.39
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423392	0	38	-2.0	-122.46	346.33	4.77	-117.69
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423393	0	33	-2.0	-110.44	308.71	-0.11	-110.55
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000423394	0	40	-2.0	-119.49	353.11	4.14	-115.35
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423395	0	35	-2.0	-110.72	317.10	4.55	-106.17
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1O	REAL300000423396	0	35	-2.0	-113.89	320.15	5.38	-108.51
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=CS1	REAL300000423397	0	32	-2.0	-120.44	313.79	3.41	-117.03
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423398	0	39	-2.0	-109.58	350.79	3.61	-105.97
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000423399	1	39	-2.0	-108.89	333.81	4.05	-104.84
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423400	0	35	-3.0	-164.16	333.74	3.95	-160.21
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423400	1	36	-2.0	-102.31	333.75	3.89	-98.42
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C	REAL300000423401	0	43	-2.0	-111.46	379.28	3.34	-108.12
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=C1O	REAL300000423402	0	40	-2.0	-112.69	358.43	7.22	-105.47
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423403	0	41	-2.0	-111.11	355.32	5.78	-105.33
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1O	REAL300000423404	0	29	-2.0	-104.03	280.61	3.17	-100.86
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1O	REAL300000423405	0	29	-2.0	-115.21	279.71	3.16	-112.05
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=C(Cl)C=C3NC(=O)CC3=C2)=CC=C1	REAL300000423407	0	34	-2.0	-107.74	329.34	2.10	-105.64
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C1O	REAL300000423408	0	34	-2.0	-106.95	316.60	3.61	-103.34
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423409	0	35	-2.0	-124.26	328.36	1.60	-122.66
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=C2N=C1	REAL300000423410	0	37	-2.0	-127.19	335.56	4.37	-122.82
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423411	0	39	-2.0	-108.29	347.05	4.13	-104.16
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(Cl)=C1	REAL300000423412	0	32	-2.0	-111.89	308.76	4.34	-107.55
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1O	REAL300000423413	0	33	-2.0	-113.55	318.95	3.38	-110.17
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=CC=C1	REAL300000423414	0	35	-2.0	-107.79	324.94	0.33	-107.46
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423415	0	34	-2.0	-116.03	328.39	-1.93	-117.96
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000423416	0	37	-2.0	-108.09	337.05	3.53	-104.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C([N+](=O)[O-])=C1	REAL300000423417	0	35	-2.0	-119.25	324.76	3.82	-115.43
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C2C1=O	REAL300000423418	0	36	-2.0	-105.43	340.05	2.37	-103.06
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=C1O	REAL300000423419	0	34	-2.0	-105.00	321.90	4.60	-100.40
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000423420	0	35	-2.0	-107.53	328.33	3.07	-104.46
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=C1O	REAL300000423421	0	33	-2.0	-105.34	320.21	2.89	-102.45
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423422	0	35	-2.0	-116.28	334.91	0.63	-115.65
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423423	0	32	-2.0	-103.44	296.10	3.95	-99.49
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423424	0	37	-2.0	-109.28	350.84	-0.73	-110.01
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=C1O	REAL300000423425	0	39	-2.0	-113.35	344.04	6.99	-106.36
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1O	REAL300000423426	0	29	-2.0	-104.42	293.74	3.73	-100.69
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=C1O	REAL300000423427	0	41	-2.0	-118.07	360.14	2.43	-115.64
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000423428	0	36	-2.0	-123.49	336.05	2.05	-121.44
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423429	0	35	-2.0	-119.98	334.91	0.63	-119.35
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)=C1O	REAL300000423430	0	38	-2.0	-112.20	348.42	5.80	-106.40
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1OC	REAL300000423432	0	37	-2.0	-111.29	338.42	2.38	-108.91
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1OC	REAL300000423433	0	40	-2.0	-109.41	348.39	3.08	-106.33
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423434	0	32	-3.0	-178.62	309.33	3.02	-175.60
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000423435	0	29	-2.0	-117.23	291.68	2.66	-114.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(Br)=C1	REAL300000423436	0	32	-2.0	-111.07	312.11	4.48	-106.59
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(N)=O	REAL300000423437	0	34	-2.0	-108.84	316.16	-0.75	-109.59
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423438	0	35	-3.0	-179.51	326.46	2.50	-177.01
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1O	REAL300000423438	1	36	-2.0	-106.73	327.89	2.51	-104.22
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423439	0	35	-2.0	-112.40	342.07	4.34	-108.06
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423440	0	40	-2.0	-110.71	359.18	2.61	-108.10
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000423441	0	33	-2.0	-107.23	319.73	2.97	-104.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000423442	0	33	-2.0	-107.02	309.92	2.48	-104.54
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C	REAL300000423443	0	36	-2.0	-109.95	323.78	3.15	-106.80
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C	REAL300000423444	0	39	-2.0	-109.62	345.65	4.06	-105.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(N)=O	REAL300000423445	0	36	-2.0	-105.92	324.80	0.56	-105.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(N)=O	REAL300000423446	0	37	-2.0	-107.82	336.02	0.49	-107.33
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423447	0	34	-2.0	-99.17	317.93	4.55	-94.62
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CN1C	REAL300000423448	0	37	-2.0	-109.42	338.10	0.75	-108.67
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423449	0	32	-2.0	-106.76	306.43	4.40	-102.36
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423450	0	42	-2.0	-108.42	367.16	4.83	-103.59
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=N2)C=C1	REAL300000423451	0	39	-2.0	-109.15	356.18	4.89	-104.26
O=C([O-])C1=CC=CC([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C1O	REAL300000423452	0	36	-2.0	-103.78	333.72	3.53	-100.25
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)=CC=C1	REAL300000423453	0	40	-2.0	-109.68	349.70	3.24	-106.44
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C	REAL300000423454	0	39	-2.0	-110.05	347.80	3.98	-106.07
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)=C1O	REAL300000423455	0	37	-2.0	-110.19	337.76	2.95	-107.24
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423456	0	31	-3.0	-169.13	311.81	3.34	-165.79
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000423457	0	30	-2.0	-100.63	310.42	3.91	-96.72
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000423458	0	30	-2.0	-101.21	310.44	3.91	-97.30
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423459	0	37	-3.0	-180.85	334.13	4.99	-175.86
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423459	1	38	-2.0	-104.26	335.14	5.02	-99.24
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=CC=C1	REAL300000423460	0	33	-2.0	-115.12	312.57	3.47	-111.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C2=CC=CN=C12	REAL300000423461	0	38	-2.0	-113.15	339.52	2.88	-110.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000423462	0	32	-2.0	-108.48	309.68	4.22	-104.26
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1O	REAL300000423463	0	29	-2.0	-112.28	295.87	3.66	-108.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1OC(C)C	REAL300000423464	0	42	-2.0	-109.93	363.57	4.69	-105.24
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423465	0	35	-2.0	-105.25	330.68	3.57	-101.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C2=CC=CC=C12	REAL300000423466	0	39	-2.0	-116.59	343.58	4.76	-111.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000423467	0	32	-2.0	-108.37	300.93	3.82	-104.55
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423468	0	32	-2.0	-104.23	306.43	4.39	-99.84
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)=C1O	REAL300000423469	0	29	-2.0	-104.05	314.55	4.91	-99.14
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423470	0	32	-2.0	-115.77	301.12	3.84	-111.93
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423471	0	32	-2.0	-106.83	296.10	3.95	-102.88
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423472	0	34	-2.0	-124.12	307.84	5.35	-118.77
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)=CC=C1	REAL300000423473	0	37	-2.0	-111.96	339.49	2.36	-109.60
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C(F)(F)F)=C1	REAL300000423474	0	33	-2.0	-105.42	320.81	4.89	-100.53
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423475	0	39	-2.0	-120.86	346.02	2.96	-117.90
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)=C1O	REAL300000423476	0	43	-2.0	-108.72	368.26	5.29	-103.43
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423477	0	45	-2.0	-108.05	386.12	5.44	-102.61
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423478	0	39	-2.0	-112.48	360.06	4.03	-108.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CS1	REAL300000423479	0	28	-3.0	-174.56	294.32	2.70	-171.86
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000423480	0	32	-2.0	-112.54	316.56	5.00	-107.54
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC(C(=O)[O-])=C1OC	REAL300000423481	0	39	-3.0	-181.50	361.00	3.48	-178.02
COC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)=CC(C(=O)[O-])=C1OC	REAL300000423481	1	40	-2.0	-113.71	360.98	3.42	-110.29
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423482	0	38	-2.0	-118.37	350.41	1.40	-116.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423483	0	35	-3.0	-187.26	329.95	3.73	-183.53
COC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423483	1	36	-2.0	-116.49	329.95	3.68	-112.81
COC(=O)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423484	0	42	-2.0	-111.75	381.01	4.18	-107.57
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=C1O	REAL300000423485	0	26	-2.0	-107.77	286.52	2.65	-105.12
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1O	REAL300000423486	0	36	-2.0	-107.75	337.81	1.80	-105.95
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423487	0	42	-2.0	-120.93	377.91	2.89	-118.04
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1O	REAL300000423488	0	31	-2.0	-116.28	301.70	4.59	-111.69
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423489	0	43	-2.0	-120.64	384.67	1.91	-118.73
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423490	0	41	-3.0	-182.45	357.92	6.28	-176.17
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423490	1	42	-2.0	-106.03	356.29	5.87	-100.16
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423491	0	40	-3.0	-180.62	356.57	5.68	-174.94
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1O	REAL300000423491	1	41	-2.0	-105.22	355.38	5.23	-99.99
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1O	REAL300000423492	0	39	-2.0	-111.55	348.39	6.51	-105.04
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423493	0	38	-2.0	-118.64	354.24	1.61	-117.03
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423494	0	40	-2.0	-119.75	364.96	2.77	-116.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000423495	0	36	-2.0	-108.70	319.17	3.18	-105.52
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C	REAL300000423496	0	39	-2.0	-109.96	338.82	3.92	-106.04
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)=CC=C1	REAL300000423497	0	40	-2.0	-120.40	362.27	3.09	-117.31
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423498	0	33	-2.0	-112.05	305.40	1.47	-110.58
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423499	0	37	-3.0	-177.33	332.80	5.40	-171.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1O	REAL300000423499	1	38	-2.0	-104.47	336.67	5.33	-99.14
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1O	REAL300000423500	0	32	-2.0	-114.34	313.74	4.00	-110.34
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O)=C2	REAL300000423501	0	42	-2.0	-117.73	374.03	6.94	-110.79
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423502	0	38	-3.0	-187.61	353.11	4.23	-183.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC(C(=O)[O-])=C1	REAL300000423503	0	33	-4.0	-264.20	331.08	4.23	-259.97
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)=CC(C(=O)[O-])=C1	REAL300000423503	1	34	-3.0	-179.31	331.07	4.16	-175.15
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423504	0	32	-2.0	-104.21	322.10	2.86	-101.35
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423505	0	38	-3.0	-182.51	346.92	5.55	-176.96
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423505	1	39	-2.0	-106.23	347.30	5.59	-100.64
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000423506	0	35	-2.0	-115.48	339.29	0.65	-114.83
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C	REAL300000423507	0	37	-2.0	-121.66	334.39	5.75	-115.91
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C1O	REAL300000423508	0	33	-2.0	-103.63	312.02	3.47	-100.16
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1O	REAL300000423509	0	29	-2.0	-108.11	289.12	3.44	-104.67
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423510	0	39	-2.0	-117.32	370.32	2.02	-115.30
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423511	0	39	-2.0	-108.54	367.73	2.07	-106.47
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C(C(=O)[O-])O1	REAL300000423512	0	31	-3.0	-169.82	305.69	2.79	-167.03
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1O	REAL300000423513	0	32	-2.0	-130.91	302.41	2.30	-128.61
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423514	0	35	-2.0	-115.26	334.48	3.82	-111.44
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423515	0	39	-2.0	-119.11	345.74	4.49	-114.62
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=C1O	REAL300000423516	0	32	-2.0	-100.94	318.53	4.16	-96.78
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423517	0	45	-2.0	-110.62	386.44	4.88	-105.74
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423518	0	45	-2.0	-108.06	390.05	5.70	-102.36
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1O	REAL300000423519	0	31	-2.0	-122.52	304.28	5.18	-117.34
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1O	REAL300000423520	0	34	-2.0	-120.47	322.54	3.27	-117.20
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C2=CC=CC=C12	REAL300000423521	0	42	-2.0	-115.88	365.44	5.68	-110.20
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1O	REAL300000423522	0	37	-3.0	-184.97	344.84	3.43	-181.54
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1O	REAL300000423522	1	38	-2.0	-114.88	344.83	3.38	-111.50
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)=C1O	REAL300000423523	0	33	-2.0	-104.72	330.60	4.56	-100.16
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1O	REAL300000423524	0	28	-2.0	-102.27	290.53	1.90	-100.37
CS(=O)(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423525	0	37	-2.0	-113.48	347.77	-0.18	-113.66
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423526	0	43	-2.0	-110.65	381.03	3.57	-107.08
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423527	0	35	-2.0	-118.70	340.42	0.69	-118.01
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1O	REAL300000423528	0	31	-2.0	-126.07	296.91	4.61	-121.46
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423529	0	35	-3.0	-184.12	331.59	2.76	-181.36
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1O	REAL300000423530	0	39	-3.0	-165.39	355.61	4.25	-161.14
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1O	REAL300000423530	1	40	-2.0	-101.78	355.69	4.21	-97.57
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1O	REAL300000423531	0	36	-2.0	-109.82	334.78	4.21	-105.61
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1O	REAL300000423532	0	39	-2.0	-109.10	360.19	4.65	-104.45
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)=C1O	REAL300000423533	0	43	-2.0	-109.66	385.46	6.38	-103.28
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1O	REAL300000423534	0	28	-2.0	-102.17	275.62	1.37	-100.80
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)=C1O	REAL300000423535	0	29	-2.0	-109.98	301.01	3.79	-106.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(F)(F)F	REAL300000423536	0	35	-2.0	-108.01	328.64	4.63	-103.38
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000423537	0	39	-2.0	-108.51	354.46	4.03	-104.48
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423538	0	32	-2.0	-109.16	322.26	2.77	-106.39
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423539	0	37	-2.0	-105.39	332.65	5.50	-99.89
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=C1O	REAL300000423540	0	34	-2.0	-112.28	310.37	3.52	-108.76
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)=C1O	REAL300000423541	0	35	-2.0	-111.51	347.04	3.84	-107.67
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1O	REAL300000423542	0	28	-2.0	-103.67	299.37	2.23	-101.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1OCC(=O)[O-]	REAL300000423543	0	38	-3.0	-164.60	353.84	4.65	-159.95
CC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)=CC=C1OCC(=O)[O-]	REAL300000423543	1	39	-2.0	-102.53	353.83	4.60	-97.93
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000423544	0	39	-2.0	-108.52	341.03	4.11	-104.41
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C12	REAL300000423545	0	37	-2.0	-105.91	340.53	2.83	-103.08
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C12	REAL300000423546	0	33	-2.0	-102.02	313.97	0.09	-101.93
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=C1O	REAL300000423547	0	38	-2.0	-112.97	355.77	5.94	-107.03
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1O	REAL300000423548	0	29	-2.0	-113.23	285.99	3.22	-110.01
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000423549	0	33	-2.0	-113.52	312.19	2.68	-110.84
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423550	0	35	-2.0	-117.99	336.17	5.02	-112.97
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1O	REAL300000423551	0	31	-2.0	-116.37	312.04	5.04	-111.33
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423552	0	34	-3.0	-168.28	323.39	4.48	-163.80
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1O	REAL300000423552	1	35	-2.0	-97.01	321.27	4.04	-92.97
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1O	REAL300000423553	0	35	-2.0	-116.50	317.34	2.75	-113.75
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CN1C	REAL300000423554	0	32	-2.0	-119.50	297.74	1.99	-117.51
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000423555	0	35	-3.0	-163.13	339.99	4.01	-159.12
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000423555	1	36	-2.0	-105.45	340.02	3.96	-101.49
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1O	REAL300000423556	0	33	-2.0	-113.00	312.21	3.16	-109.84
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423557	0	38	-2.0	-114.32	350.87	4.67	-109.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000423558	0	32	-2.0	-108.35	300.29	1.67	-106.68
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423559	0	41	-2.0	-105.53	372.34	5.49	-100.04
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CN=C21	REAL300000423560	0	37	-2.0	-102.57	343.56	0.58	-101.99
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423561	0	36	-2.0	-112.46	329.28	2.83	-109.63
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423562	0	35	-2.0	-117.89	325.84	4.57	-113.32
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=C1O	REAL300000423563	0	37	-2.0	-117.70	339.78	3.67	-114.03
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=C1O	REAL300000423564	0	32	-2.0	-109.09	318.77	4.17	-104.92
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)=C1O	REAL300000423565	0	32	-2.0	-106.25	306.49	4.55	-101.70
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1O	REAL300000423566	0	29	-2.0	-110.02	306.28	3.21	-106.81
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423567	0	38	-3.0	-186.30	351.83	4.64	-181.66
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423567	1	39	-2.0	-114.94	351.81	4.59	-110.35
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1O	REAL300000423568	0	34	-2.0	-109.59	310.18	2.40	-107.19
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000423569	0	38	-2.0	-103.71	355.40	4.71	-99.00
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1O	REAL300000423570	0	29	-2.0	-107.00	293.74	3.73	-103.27
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C2)=CO1	REAL300000423571	0	38	-2.0	-113.92	350.60	2.16	-111.76
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C2O1	REAL300000423572	0	37	-2.0	-109.76	331.16	3.71	-106.05
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=CC=C1	REAL300000423573	0	33	-2.0	-104.36	318.51	-0.04	-104.40
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423574	0	33	-2.0	-112.76	303.71	2.41	-110.35
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423575	0	32	-2.0	-110.63	289.70	3.88	-106.75
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423576	0	35	-2.0	-114.22	335.84	1.33	-112.89
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423576	1	34	-3.0	-173.86	332.55	0.21	-173.65
O=C([O-])C1=CC=CC([N-]S(=O)(=O)CC2CCCO2)=C1O	REAL300000423577	0	33	-2.0	-112.27	293.57	1.32	-110.95
O=C([O-])C1=CC=CC([N-]S(=O)(=O)CC2CCCCO2)=C1O	REAL300000423578	0	36	-2.0	-110.78	311.07	2.39	-108.39
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C(F)C=C1F	REAL300000423579	0	35	-2.0	-104.31	338.99	3.85	-100.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000423580	0	32	-2.0	-115.28	301.12	3.85	-111.43
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000423581	0	33	-2.0	-106.08	332.83	3.53	-102.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000423582	0	32	-2.0	-104.55	300.93	3.81	-100.74
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)O1	REAL300000423583	0	32	-2.0	-105.23	313.76	1.90	-103.33
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1O	REAL300000423584	0	34	-2.0	-127.10	314.15	3.73	-123.37
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423585	0	41	-2.0	-110.72	362.09	2.02	-108.70
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C(C(=O)[O-])S1	REAL300000423586	0	31	-3.0	-174.98	312.37	3.55	-171.43
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1C	REAL300000423587	0	38	-2.0	-112.98	338.54	4.43	-108.55
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423588	0	33	-2.0	-112.35	316.82	2.97	-109.38
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CN=C1Cl	REAL300000423589	0	31	-2.0	-102.79	304.86	2.33	-100.46
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423590	0	35	-2.0	-117.71	332.37	0.68	-117.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=C1C	REAL300000423591	0	39	-2.0	-110.13	334.43	3.81	-106.32
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423592	0	38	-2.0	-117.90	351.18	4.55	-113.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)N(C)C	REAL300000423594	0	43	-2.0	-111.61	376.91	2.58	-109.03
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C21	REAL300000423595	0	40	-2.0	-132.62	353.39	4.16	-128.46
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423596	0	41	-2.0	-110.61	353.33	3.70	-106.91
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)SC=C1	REAL300000423597	0	29	-2.0	-110.37	282.44	2.93	-107.44
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423598	0	35	-2.0	-108.12	345.74	4.25	-103.87
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1C	REAL300000423599	0	38	-2.0	-110.04	332.72	3.00	-107.04
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C	REAL300000423600	0	38	-2.0	-106.34	345.02	4.29	-102.05
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1[N+](=O)[O-]	REAL300000423601	0	34	-2.0	-100.38	318.43	4.29	-96.09
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=CC=C1	REAL300000423602	0	37	-2.0	-122.80	333.80	1.56	-121.24
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423603	0	38	-2.0	-126.71	359.25	1.30	-125.41
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423604	0	33	-2.0	-106.48	310.48	4.27	-102.21
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000423605	0	36	-2.0	-118.48	335.38	2.12	-116.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1[N+](=O)[O-]	REAL300000423606	0	34	-2.0	-108.92	323.89	4.35	-104.57
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423607	0	41	-2.0	-109.11	326.44	5.78	-103.33
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC(Cl)=C2O1	REAL300000423608	0	37	-2.0	-107.66	347.98	4.23	-103.43
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1C	REAL300000423609	0	39	-2.0	-129.64	348.80	2.91	-126.73
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C21	REAL300000423610	0	43	-2.0	-131.64	367.16	4.74	-126.90
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423611	0	33	-2.0	-112.55	311.86	3.57	-108.98
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423612	0	33	-2.0	-103.27	310.46	4.25	-99.02
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423613	0	41	-2.0	-109.68	336.08	6.55	-103.13
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=C1O	REAL300000423614	0	38	-2.0	-117.87	342.88	3.17	-114.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1OC	REAL300000423615	0	39	-2.0	-109.19	356.29	3.81	-105.38
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000423616	0	30	-2.0	-107.06	300.51	3.56	-103.50
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C2O1	REAL300000423617	0	34	-2.0	-109.05	317.86	0.77	-108.28
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000423618	0	35	-2.0	-108.46	318.97	2.19	-106.27
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423619	0	34	-2.0	-115.95	312.06	-0.40	-116.35
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1O	REAL300000423620	0	34	-2.0	-111.54	315.18	3.49	-108.05
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000423621	0	35	-2.0	-114.86	333.57	1.87	-112.99
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CN1	REAL300000423622	0	35	-2.0	-117.31	318.01	1.55	-115.76
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C([N+](=O)[O-])=C1	REAL300000423623	0	32	-2.0	-113.68	316.04	4.91	-108.77
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=NN1C1=CC=CC=N1	REAL300000423625	0	38	-2.0	-112.94	348.77	4.34	-108.60
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423626	0	40	-2.0	-105.94	356.81	2.74	-103.20
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1O	REAL300000423627	0	29	-2.0	-96.50	293.21	3.28	-93.22
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423628	0	40	-2.0	-108.63	356.83	4.95	-103.68
CC(C)OCCS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423629	0	35	-2.0	-104.98	313.23	1.63	-103.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CN1C	REAL300000423630	0	36	-2.0	-113.34	335.38	3.21	-110.13
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423631	0	44	-2.0	-110.53	364.64	5.90	-104.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(Cl)=C1	REAL300000423632	0	31	-3.0	-164.02	315.73	4.24	-159.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000423633	0	31	-3.0	-164.82	307.19	3.71	-161.11
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000423633	1	32	-2.0	-107.02	307.18	3.64	-103.38
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423634	0	37	-2.0	-120.37	340.69	2.52	-117.85
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=C1O	REAL300000423635	0	36	-2.0	-113.03	339.17	4.37	-108.66
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423636	0	29	-2.0	-108.76	308.41	3.47	-105.29
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)=C1O	REAL300000423637	0	29	-2.0	-101.73	301.22	3.77	-97.96
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423638	0	39	-2.0	-115.68	352.46	3.75	-111.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC(C)=C1F	REAL300000423639	0	35	-2.0	-105.40	321.24	4.44	-100.96
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2)=C1O	REAL300000423640	0	29	-2.0	-101.66	301.21	3.77	-97.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(Cl)=C1Cl	REAL300000423641	0	33	-2.0	-109.23	331.29	3.48	-105.75
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000423642	0	40	-2.0	-114.47	361.95	3.85	-110.62
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=C1O	REAL300000423643	0	32	-2.0	-104.16	319.03	1.16	-103.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423644	0	28	-3.0	-167.71	294.93	2.79	-164.92
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423645	0	38	-2.0	-119.82	338.92	4.06	-115.76
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423646	0	31	-3.0	-169.88	309.08	3.73	-166.15
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423646	1	32	-2.0	-101.06	309.12	3.68	-97.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1F	REAL300000423647	0	34	-3.0	-177.00	328.43	4.37	-172.63
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423648	0	43	-2.0	-108.21	367.02	5.17	-103.04
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CN1	REAL300000423649	0	33	-2.0	-111.48	317.61	1.45	-110.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000423650	0	31	-3.0	-166.15	308.14	3.74	-162.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000423651	0	31	-3.0	-163.25	315.16	4.07	-159.18
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000423651	1	32	-2.0	-103.53	315.16	4.01	-99.52
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423652	0	32	-2.0	-107.43	295.01	3.90	-103.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1Br	REAL300000423653	0	32	-2.0	-108.62	313.71	4.30	-104.32
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1C	REAL300000423654	0	38	-2.0	-108.58	345.03	4.29	-104.29
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CS1	REAL300000423655	0	32	-2.0	-110.22	321.48	2.79	-107.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000423656	0	35	-2.0	-103.57	333.54	3.78	-99.79
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423657	0	31	-2.0	-107.71	299.44	1.68	-106.03
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423658	0	33	-2.0	-115.45	316.47	4.27	-111.18
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423659	0	37	-2.0	-99.66	332.56	5.44	-94.22
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1O	REAL300000423660	0	37	-2.0	-122.29	340.35	-0.73	-123.02
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423661	0	34	-3.0	-170.03	332.13	4.87	-165.16
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1O	REAL300000423661	1	35	-2.0	-97.78	329.98	4.43	-93.35
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423662	0	35	-2.0	-106.12	328.44	4.88	-101.24
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423663	0	29	-2.0	-104.50	307.43	3.42	-101.08
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423664	0	35	-2.0	-111.99	317.10	4.54	-107.45
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=C1O	REAL300000423665	0	32	-2.0	-107.78	329.85	5.02	-102.76
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423666	0	32	-2.0	-108.02	302.03	3.84	-104.18
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423667	0	39	-3.0	-162.05	366.41	5.08	-156.97
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423667	1	40	-2.0	-101.47	366.36	5.02	-96.45
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423668	0	35	-2.0	-106.15	332.11	2.56	-103.59
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=C1O	REAL300000423669	0	35	-2.0	-107.22	325.61	2.15	-105.07
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423670	0	33	-3.0	-164.17	330.86	4.34	-159.83
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=C1O	REAL300000423671	0	32	-2.0	-112.78	327.56	4.97	-107.81
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423672	0	39	-2.0	-119.03	357.15	3.56	-115.47
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423673	0	41	-2.0	-113.02	362.11	5.08	-107.94
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C2O1	REAL300000423674	0	40	-2.0	-109.97	351.65	4.35	-105.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C(F)C=C1F	REAL300000423675	0	32	-2.0	-107.05	306.42	3.87	-103.18
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=C1O	REAL300000423676	0	35	-2.0	-118.82	325.98	6.15	-112.67
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1O	REAL300000423677	0	35	-2.0	-118.97	315.26	5.42	-113.55
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1O	REAL300000423678	0	31	-2.0	-108.54	306.20	2.58	-105.96
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1[N+](=O)[O-]	REAL300000423679	0	34	-2.0	-106.38	331.56	4.86	-101.52
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423680	0	36	-2.0	-110.50	352.06	2.19	-108.31
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423681	0	32	-2.0	-107.03	307.78	4.39	-102.64
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423682	0	32	-3.0	-175.56	312.39	1.38	-174.18
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1O	REAL300000423683	0	39	-2.0	-114.65	329.53	5.73	-108.92
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423684	0	34	-3.0	-173.89	324.86	4.44	-169.45
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423684	1	35	-2.0	-99.81	324.87	4.39	-95.42
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000423685	0	36	-2.0	-111.02	344.37	2.63	-108.39
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)O1	REAL300000423686	0	35	-2.0	-105.43	335.62	2.82	-102.61
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1O	REAL300000423687	0	31	-2.0	-100.22	308.83	3.84	-96.38
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423688	0	34	-2.0	-118.87	327.76	4.08	-114.79
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000423689	0	41	-2.0	-110.13	364.93	4.64	-105.49
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423690	0	34	-2.0	-100.45	330.36	4.92	-95.53
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)SC=C1	REAL300000423691	0	30	-2.0	-117.78	296.38	1.39	-116.39
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423692	0	38	-2.0	-119.17	356.38	1.53	-117.64
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=CC=C2C=C1	REAL300000423695	0	37	-2.0	-129.02	335.72	4.34	-124.68
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C2=CC(Cl)=CC=C2S1	REAL300000423696	0	35	-2.0	-112.16	341.82	5.98	-106.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)SC2=CC=CC(F)=C12	REAL300000423701	0	35	-2.0	-113.70	331.71	5.30	-108.40
N#CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423702	0	30	-2.0	-101.79	316.34	4.12	-97.67
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1F	REAL300000423703	0	34	-2.0	-108.22	328.23	4.48	-103.74
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423704	0	31	-2.0	-116.05	307.46	1.85	-114.20
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=NC2=C1Cl	REAL300000423705	0	34	-2.0	-101.11	335.20	3.06	-98.05
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)=C1O	REAL300000423706	0	29	-2.0	-114.29	293.85	4.03	-110.26
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)=C1O	REAL300000423707	0	31	-2.0	-103.47	322.48	3.01	-100.46
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423708	0	29	-2.0	-101.05	289.19	2.06	-98.99
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)N=C1Cl	REAL300000423709	0	29	-2.0	-113.18	294.40	1.93	-111.25
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423710	0	37	-2.0	-113.88	333.20	1.72	-112.16
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000423711	0	31	-3.0	-170.47	323.38	4.19	-166.28
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000423711	1	32	-2.0	-106.00	323.39	4.12	-101.88
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1O	REAL300000423712	0	30	-2.0	-116.50	290.05	1.83	-114.67
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1C	REAL300000423713	0	37	-2.0	-123.89	325.30	5.90	-117.99
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)S2)=CS1	REAL300000423714	0	35	-2.0	-110.15	353.67	3.66	-106.49
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423715	0	30	-2.0	-101.44	296.43	0.93	-100.51
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423716	0	28	-2.0	-106.88	282.74	0.92	-105.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423719	0	34	-3.0	-179.65	312.71	4.31	-175.34
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1O	REAL300000423719	1	35	-2.0	-112.91	313.62	4.31	-108.60
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C(C)N1	REAL300000423726	0	42	-2.0	-110.08	370.23	3.77	-106.31
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000423727	0	32	-2.0	-109.95	306.41	3.88	-106.07
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1[N+](=O)[O-]	REAL300000423728	0	35	-2.0	-100.39	329.73	3.85	-96.54
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC(C(=O)[O-])=C1C	REAL300000423729	0	37	-3.0	-183.20	335.55	4.73	-178.47
CC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)=CC(C(=O)[O-])=C1C	REAL300000423729	1	38	-2.0	-108.26	335.23	4.66	-103.60
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1O	REAL300000423730	0	35	-2.0	-120.61	331.95	5.92	-114.69
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000423731	0	35	-2.0	-111.38	339.30	0.65	-110.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1[N+](=O)[O-]	REAL300000423732	0	33	-3.0	-178.17	329.23	4.76	-173.41
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1O	REAL300000423733	0	32	-2.0	-107.73	319.54	4.59	-103.14
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1CC	REAL300000423734	0	41	-2.0	-112.78	351.26	5.68	-107.10
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423735	0	31	-3.0	-167.25	314.41	3.78	-163.47
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC([N+](=O)[O-])=C1F	REAL300000423736	0	34	-2.0	-101.63	327.26	4.43	-97.20
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1O	REAL300000423737	0	28	-2.0	-108.27	293.18	2.54	-105.73
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423738	0	35	-2.0	-117.89	319.66	3.48	-114.41
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000423739	0	34	-2.0	-102.75	324.94	1.93	-100.82
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1O	REAL300000423740	0	28	-2.0	-100.20	299.64	2.28	-97.92
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=C1C(=O)[O-]	REAL300000423741	0	37	-3.0	-182.91	336.21	5.08	-177.83
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C(C)=C1C(=O)[O-]	REAL300000423741	1	38	-2.0	-117.95	337.55	5.06	-112.89
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)[N-]C4=CC=CC(C(=O)[O-])=C4O)C=CC1=C23	REAL300000423742	0	40	-2.0	-111.26	359.99	5.02	-106.24
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423743	0	34	-3.0	-176.76	324.15	4.27	-172.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000423744	0	34	-3.0	-175.32	334.46	4.80	-170.52
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423745	0	34	-3.0	-189.32	327.71	4.35	-184.97
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1O	REAL300000423746	0	29	-2.0	-98.96	301.45	3.57	-95.39
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423747	0	37	-2.0	-121.22	337.31	4.36	-116.86
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000423748	0	36	-2.0	-106.79	333.97	0.71	-106.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C([N+](=O)[O-])=N1	REAL300000423749	0	34	-2.0	-117.51	324.53	3.95	-113.56
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)=C1O	REAL300000423750	0	29	-2.0	-106.19	297.10	3.87	-102.32
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1Br	REAL300000423751	0	32	-2.0	-112.21	308.90	4.38	-107.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423752	0	37	-3.0	-181.95	337.00	4.86	-177.09
CCC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423752	1	38	-2.0	-110.29	337.08	4.80	-105.49
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1O	REAL300000423753	0	40	-2.0	-108.80	351.37	1.63	-107.17
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)=C1O	REAL300000423756	0	32	-2.0	-103.51	326.08	4.66	-98.85
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423757	0	34	-3.0	-164.06	323.15	3.60	-160.46
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1O	REAL300000423757	1	35	-2.0	-99.59	324.19	3.63	-95.96
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423758	0	38	-2.0	-110.61	347.21	4.74	-105.87
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423759	0	35	-2.0	-119.16	321.70	3.85	-115.31
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1O	REAL300000423760	0	37	-2.0	-106.63	332.25	0.84	-105.79
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)=C1O	REAL300000423761	0	36	-2.0	-112.47	338.57	3.64	-108.83
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423762	0	37	-2.0	-109.67	347.64	5.17	-104.50
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1F	REAL300000423763	0	32	-2.0	-116.67	300.03	3.81	-112.86
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000423764	0	35	-2.0	-104.50	323.24	0.72	-103.78
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1O	REAL300000423765	0	36	-2.0	-120.83	320.00	3.13	-117.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1CC(=O)[O-]	REAL300000423766	0	38	-3.0	-187.13	353.14	3.80	-183.33
COC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1CC(=O)[O-]	REAL300000423766	1	39	-2.0	-119.21	353.20	3.75	-115.46
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423767	0	36	-2.0	-111.49	329.29	2.83	-108.66
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423768	0	34	-2.0	-112.42	313.48	0.09	-112.33
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000423769	0	32	-2.0	-113.04	306.08	4.24	-108.80
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C(C)O1	REAL300000423771	0	32	-2.0	-108.04	297.17	2.68	-105.36
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)=CC=C1	REAL300000423772	0	35	-2.0	-115.91	320.46	0.77	-115.14
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=C1O	REAL300000423773	0	37	-2.0	-110.64	327.91	3.73	-106.91
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C2)CC1	REAL300000423774	0	42	-2.0	-110.60	372.55	5.73	-104.87
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423775	0	38	-2.0	-107.28	357.27	4.76	-102.52
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423776	0	36	-2.0	-109.92	320.83	3.14	-106.78
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C(C(=O)OC)O1	REAL300000423777	0	38	-2.0	-103.70	351.21	3.51	-100.19
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423778	0	39	-2.0	-108.94	343.48	3.96	-104.98
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423779	0	32	-2.0	-111.08	306.42	3.46	-107.62
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1O	REAL300000423780	0	32	-2.0	-107.07	300.25	1.76	-105.31
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C2=NC=CC=C2C=C1	REAL300000423781	0	37	-2.0	-127.21	327.84	4.86	-122.35
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1O	REAL300000423782	0	35	-2.0	-118.23	323.49	5.10	-113.13
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)=C1O	REAL300000423783	0	35	-2.0	-102.10	342.82	1.18	-100.92
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423784	0	35	-2.0	-114.79	325.84	4.57	-110.22
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1O	REAL300000423785	0	31	-2.0	-97.90	306.94	3.79	-94.11
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423786	0	34	-3.0	-170.59	328.94	4.85	-165.74
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1O	REAL300000423786	1	35	-2.0	-95.37	326.74	4.40	-90.97
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1O	REAL300000423787	0	29	-2.0	-102.28	297.37	3.68	-98.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C(C)O1	REAL300000423788	0	35	-2.0	-104.08	332.05	2.66	-101.42
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1O	REAL300000423789	0	28	-2.0	-102.33	285.96	1.79	-100.54
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000423790	0	34	-3.0	-178.57	333.90	4.63	-173.94
CC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000423790	1	35	-2.0	-105.86	333.88	4.57	-101.29
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)N=C1C	REAL300000423791	0	35	-2.0	-120.14	319.82	2.88	-117.26
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423792	0	32	-2.0	-111.51	312.11	4.48	-107.03
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423793	0	32	-2.0	-112.37	308.76	4.34	-108.03
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423794	0	35	-3.0	-180.13	330.62	3.88	-176.25
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423795	0	32	-2.0	-109.01	314.10	1.83	-107.18
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423796	0	41	-2.0	-110.88	353.70	3.65	-107.23
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CN1C	REAL300000423797	0	39	-2.0	-112.86	357.24	4.13	-108.73
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423798	0	37	-2.0	-106.79	333.90	5.05	-101.74
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1O	REAL300000423799	0	29	-2.0	-115.00	290.27	3.88	-111.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(Cl)=N1	REAL300000423800	0	31	-2.0	-109.87	304.11	2.42	-107.45
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423801	0	34	-2.0	-109.24	323.26	3.30	-105.94
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)=C1O	REAL300000423802	0	36	-2.0	-111.21	339.28	4.29	-106.92
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000423803	0	33	-2.0	-107.09	329.42	4.58	-102.51
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423804	0	31	-2.0	-106.45	304.23	1.69	-104.76
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C12	REAL300000423805	0	36	-2.0	-101.37	335.45	0.81	-100.56
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423806	0	31	-2.0	-104.86	312.34	3.43	-101.43
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CN=C1Cl	REAL300000423807	0	32	-2.0	-100.94	315.06	1.06	-99.88
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000423808	0	38	-2.0	-107.52	350.14	4.07	-103.45
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)=C1O	REAL300000423809	0	41	-2.0	-109.81	358.41	4.56	-105.25
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1O	REAL300000423810	0	31	-2.0	-100.65	308.93	2.33	-98.32
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423811	0	35	-2.0	-107.70	335.42	3.81	-103.89
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=C1CC(=O)[O-]	REAL300000423812	0	43	-3.0	-185.18	367.83	6.54	-178.64
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C(C)=C1CC(=O)[O-]	REAL300000423812	1	44	-2.0	-102.05	361.94	5.90	-96.15
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423813	0	44	-2.0	-109.51	373.48	4.58	-104.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=C1F	REAL300000423814	0	36	-2.0	-107.17	323.88	3.24	-103.93
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(Cl)=C1	REAL300000423815	0	30	-2.0	-104.13	308.10	4.07	-100.06
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1O	REAL300000423816	0	32	-2.0	-119.75	302.14	3.41	-116.34
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423817	0	34	-2.0	-107.39	324.17	1.97	-105.42
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423818	0	40	-2.0	-119.89	364.36	3.21	-116.68
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1O	REAL300000423819	0	26	-2.0	-104.88	278.60	1.82	-103.06
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C(C2=CC=CC=C2)S1	REAL300000423820	0	38	-2.0	-118.46	355.52	4.66	-113.80
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C(C2=CC=CC=C2)O1	REAL300000423821	0	38	-2.0	-117.96	348.63	2.19	-115.77
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1[N+](=O)[O-]	REAL300000423822	0	37	-2.0	-108.17	333.92	5.07	-103.10
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423823	0	39	-2.0	-117.88	337.75	4.86	-113.02
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423824	1	37	-2.0	-113.13	325.70	3.51	-109.62
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423825	0	41	-2.0	-112.38	366.30	5.46	-106.92
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1O	REAL300000423826	0	29	-2.0	-103.90	309.39	4.21	-99.69
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423827	0	29	-2.0	-104.20	303.21	3.32	-100.88
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(OC)=C1	REAL300000423828	0	39	-2.0	-112.13	357.20	3.56	-108.57
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1O	REAL300000423829	0	32	-2.0	-116.15	308.38	4.03	-112.12
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1O	REAL300000423830	0	32	-2.0	-106.43	318.45	4.16	-102.27
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423831	0	32	-2.0	-108.00	316.92	4.39	-103.61
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1O	REAL300000423832	0	32	-2.0	-107.78	312.14	1.98	-105.80
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423833	0	33	-2.0	-117.02	310.30	4.17	-112.85
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=C1O	REAL300000423834	0	32	-2.0	-109.83	320.81	0.20	-109.63
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1O	REAL300000423835	0	37	-2.0	-105.83	343.65	4.38	-101.45
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423836	0	38	-2.0	-113.09	328.22	5.10	-107.99
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=CS1	REAL300000423837	0	35	-2.0	-119.95	329.44	4.29	-115.66
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000423838	0	33	-2.0	-103.85	309.93	2.48	-101.37
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423839	0	37	-2.0	-116.38	347.63	5.17	-111.21
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CN=C21	REAL300000423840	0	34	-2.0	-106.07	318.57	2.23	-103.84
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1O	REAL300000423841	0	28	-2.0	-101.53	295.38	2.86	-98.67
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OCC2)=C1O	REAL300000423842	1	38	-2.0	-110.98	336.26	4.53	-106.45
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423843	0	37	-2.0	-111.91	341.39	1.32	-110.59
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)=C1O	REAL300000423844	0	32	-2.0	-101.67	330.01	4.63	-97.04
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1[N+](=O)[O-]	REAL300000423845	0	35	-2.0	-100.06	337.74	3.94	-96.12
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1O	REAL300000423846	0	33	-2.0	-114.23	302.34	2.55	-111.68
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423847	0	30	-2.0	-106.85	308.13	4.07	-102.78
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1O	REAL300000423848	0	32	-2.0	-107.83	318.17	2.16	-105.67
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423849	0	35	-2.0	-108.68	304.43	4.84	-103.84
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423850	0	37	-2.0	-124.21	328.19	3.62	-120.59
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423852	0	32	-2.0	-113.74	293.62	4.05	-109.69
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423853	0	32	-2.0	-104.24	311.00	4.49	-99.75
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1O	REAL300000423854	0	33	-2.0	-124.76	312.60	3.16	-121.60
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423855	0	42	-2.0	-109.57	364.42	4.56	-105.01
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)=C1O	REAL300000423856	0	29	-2.0	-107.85	301.01	3.79	-104.06
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=CC=C12	REAL300000423857	0	37	-2.0	-126.47	332.09	4.29	-122.18
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423858	0	33	-2.0	-113.75	325.46	0.40	-113.35
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1O	REAL300000423859	0	30	-2.0	-117.90	298.98	1.40	-116.50
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423860	0	32	-2.0	-107.72	298.79	0.58	-107.14
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)=C1O	REAL300000423861	0	29	-2.0	-111.90	300.29	3.77	-108.13
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1OC	REAL300000423862	0	39	-2.0	-107.04	356.28	3.82	-103.22
COCCOCCOCCS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423863	0	43	-2.0	-109.62	382.06	0.48	-109.14
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O)OCO2	REAL300000423864	0	35	-2.0	-106.94	315.71	2.53	-104.41
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423865	0	35	-2.0	-108.91	324.66	4.38	-104.53
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423866	0	34	-3.0	-174.41	332.54	4.62	-169.79
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000423866	1	35	-2.0	-103.10	336.44	4.68	-98.42
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423867	0	39	-2.0	-111.24	345.77	2.93	-108.31
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423868	0	38	-2.0	-123.80	341.27	5.40	-118.40
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423869	0	37	-2.0	-107.47	327.84	1.49	-105.98
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)=CC=C1	REAL300000423870	0	35	-2.0	-117.82	335.41	4.65	-113.17
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423871	0	32	-2.0	-114.54	319.17	0.60	-113.94
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423871	1	31	-3.0	-172.91	315.86	-0.53	-173.44
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000423872	0	36	-2.0	-110.28	335.11	2.12	-108.16
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1OC	REAL300000423873	0	37	-2.0	-108.67	346.02	2.88	-105.79
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1O	REAL300000423874	0	33	-2.0	-106.57	319.70	2.75	-103.82
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=C1O	REAL300000423875	0	32	-2.0	-100.66	318.53	4.16	-96.50
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000423876	0	34	-2.0	-114.06	330.99	-1.28	-115.34
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423877	0	33	-2.0	-116.08	307.08	4.37	-111.71
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423878	0	33	-2.0	-115.18	316.46	4.27	-110.91
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1O	REAL300000423879	0	29	-2.0	-105.03	304.07	4.17	-100.86
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423880	0	35	-2.0	-103.92	310.73	4.84	-99.08
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(N)=NO1	REAL300000423881	0	30	-2.0	-101.66	281.75	0.47	-101.19
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O)OCC(=O)N2	REAL300000423882	0	39	-2.0	-113.96	353.18	0.13	-113.83
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=C1O	REAL300000423883	0	29	-2.0	-103.24	304.21	4.49	-98.75
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423884	0	33	-2.0	-113.27	319.20	3.42	-109.85
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1O	REAL300000423885	0	30	-2.0	-106.31	301.71	1.87	-104.44
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423886	0	36	-2.0	-112.06	319.18	3.18	-108.88
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1Br	REAL300000423887	0	30	-2.0	-100.64	314.71	4.01	-96.63
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000423888	0	36	-2.0	-107.20	334.78	3.75	-103.45
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)=C1O	REAL300000423889	0	31	-2.0	-102.05	324.09	4.33	-97.72
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423890	0	27	-2.0	-101.73	286.73	2.65	-99.08
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)=C1O	REAL300000423891	0	31	-2.0	-98.55	320.38	4.21	-94.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000423892	0	31	-2.0	-108.28	290.81	1.93	-106.35
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1O	REAL300000423893	0	34	-2.0	-110.83	315.39	3.46	-107.37
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000423894	0	35	-2.0	-110.16	334.46	3.83	-106.33
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000423895	0	35	-2.0	-104.89	333.52	3.79	-101.10
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423896	0	37	-2.0	-119.11	350.36	4.96	-114.15
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1C#N	REAL300000423897	0	33	-2.0	-103.47	314.18	4.00	-99.47
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1O	REAL300000423898	0	28	-2.0	-97.14	291.95	1.78	-95.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000423899	0	33	-2.0	-113.01	309.19	2.47	-110.54
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1[N+](=O)[O-]	REAL300000423900	0	37	-2.0	-123.01	335.00	6.28	-116.73
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1O	REAL300000423901	0	35	-2.0	-110.50	335.24	4.88	-105.62
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1O	REAL300000423902	0	35	-2.0	-109.94	319.94	3.61	-106.33
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)=C1O	REAL300000423903	0	33	-2.0	-115.89	321.95	3.97	-111.92
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1O	REAL300000423904	0	32	-2.0	-108.93	308.39	4.02	-104.91
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1O	REAL300000423905	0	39	-2.0	-115.80	348.41	6.51	-109.29
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)N(C)N=C1	REAL300000423907	0	32	-2.0	-104.07	291.08	1.56	-102.51
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423908	0	38	-2.0	-114.63	356.34	4.74	-109.89
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CN1C	REAL300000423909	0	41	-2.0	-110.62	376.22	4.31	-106.31
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)O1	REAL300000423910	0	27	-2.0	-102.97	278.14	1.65	-101.32
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C(F)C=C1C	REAL300000423911	0	41	-2.0	-110.04	372.36	5.29	-104.75
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423912	0	43	-2.0	-120.65	385.75	1.31	-119.34
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423913	0	40	-2.0	-119.54	357.54	2.62	-116.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1C(=O)[O-]	REAL300000423914	0	34	-3.0	-166.13	318.68	4.20	-161.93
CC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)=CC=C1C(=O)[O-]	REAL300000423914	1	35	-2.0	-105.14	319.27	4.16	-100.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000423915	0	32	-2.0	-104.49	301.39	-0.21	-104.70
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1O	REAL300000423916	0	29	-2.0	-110.19	296.45	3.68	-106.51
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423917	0	38	-2.0	-112.57	351.74	5.88	-106.69
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423918	0	38	-2.0	-112.18	347.57	5.59	-106.59
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)=C1O	REAL300000423919	0	32	-2.0	-108.75	316.83	5.00	-103.75
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C1O	REAL300000423920	0	32	-2.0	-112.70	310.73	4.45	-108.25
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423921	0	41	-2.0	-116.28	373.03	5.47	-110.81
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)N(C)N=C1	REAL300000423922	0	38	-2.0	-111.31	345.31	3.10	-108.21
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423923	0	42	-2.0	-118.61	379.01	4.49	-114.12
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1C	REAL300000423924	0	41	-2.0	-108.89	366.89	5.22	-103.67
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=C2O1	REAL300000423925	0	40	-2.0	-123.00	351.93	4.32	-118.68
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1C(F)(F)F	REAL300000423926	0	33	-2.0	-100.31	330.87	4.28	-96.03
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1O	REAL300000423927	0	32	-2.0	-115.26	300.82	1.73	-113.53
N#CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423928	0	30	-2.0	-115.77	312.00	3.90	-111.87
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423929	0	35	-2.0	-102.75	328.77	4.90	-97.85
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423930	0	36	-2.0	-112.86	325.56	3.33	-109.53
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1O	REAL300000423931	0	29	-2.0	-111.25	296.58	3.96	-107.29
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C2C=C1	REAL300000423932	0	38	-2.0	-113.63	341.51	6.02	-107.61
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1O	REAL300000423933	0	26	-2.0	-108.53	282.19	2.55	-105.98
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423934	0	38	-2.0	-106.61	358.45	4.96	-101.65
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423935	0	29	-2.0	-109.24	287.78	2.77	-106.47
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423936	0	42	-2.0	-115.25	370.19	3.46	-111.79
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1O	REAL300000423937	0	26	-2.0	-106.86	272.50	-0.10	-106.96
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=C1O	REAL300000423938	0	34	-2.0	-117.96	328.73	4.16	-113.80
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1O	REAL300000423939	0	28	-2.0	-106.23	281.11	1.21	-105.02
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423940	0	36	-2.0	-106.78	342.77	3.42	-103.36
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423941	0	38	-2.0	-105.35	338.74	2.16	-103.19
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000423942	0	38	-2.0	-105.05	343.38	1.65	-103.40
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C([N+](=O)[O-])=C1	REAL300000423943	0	36	-3.0	-172.65	345.93	5.85	-166.80
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C1O	REAL300000423945	0	37	-2.0	-108.86	334.74	4.06	-104.80
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1O	REAL300000423946	0	32	-2.0	-107.14	310.40	3.56	-103.58
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1O	REAL300000423947	0	32	-2.0	-112.94	325.51	5.15	-107.79
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423948	0	34	-2.0	-118.44	321.19	2.09	-116.35
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423949	0	28	-2.0	-103.66	282.71	1.40	-102.26
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])=C1O	REAL300000423950	0	31	-2.0	-108.03	315.33	5.06	-102.97
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC(=O)S2)=C1O	REAL300000423951	1	26	-2.0	-104.30	271.05	-1.02	-105.32
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=C1O	REAL300000423952	0	33	-2.0	-106.27	323.04	1.81	-104.46
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1O	REAL300000423952	1	32	-3.0	-193.48	319.48	2.67	-190.81
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=C1O	REAL300000423953	0	35	-2.0	-104.88	330.13	4.50	-100.38
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1O	REAL300000423954	0	36	-2.0	-110.61	323.44	5.20	-105.41
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423955	0	38	-2.0	-107.78	367.59	5.20	-102.58
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1O	REAL300000423956	0	26	-2.0	-110.54	272.49	2.14	-108.40
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C2NC1=O	REAL300000423957	0	38	-2.0	-107.01	345.27	2.84	-104.17
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1O	REAL300000423958	0	35	-2.0	-122.71	335.04	1.53	-121.18
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C(F)(F)F)=N1	REAL300000423959	0	32	-2.0	-111.06	312.85	1.96	-109.10
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=CC=C1	REAL300000423960	0	38	-2.0	-109.87	339.05	4.70	-105.17
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000423961	0	30	-2.0	-100.67	300.92	3.54	-97.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C(F)C=C1[N+](=O)[O-]	REAL300000423962	0	34	-2.0	-103.34	326.57	4.47	-98.87
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423963	0	34	-3.0	-174.26	322.63	4.48	-169.78
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1O	REAL300000423963	1	35	-2.0	-104.07	320.64	4.04	-100.03
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1O	REAL300000423964	0	30	-2.0	-109.71	307.10	2.39	-107.32
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1O	REAL300000423965	0	33	-3.0	-192.95	326.40	5.51	-187.44
COCC1(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)CC1	REAL300000423966	0	33	-2.0	-112.06	295.76	2.15	-109.91
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)=C1O	REAL300000423967	0	33	-2.0	-110.44	325.50	2.96	-107.48
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C2N=C1Cl	REAL300000423968	0	37	-2.0	-106.81	350.69	4.48	-102.33
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423969	0	29	-2.0	-133.72	279.57	-0.96	-134.68
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C(F)C=C1C	REAL300000423970	0	38	-2.0	-109.96	350.48	4.36	-105.60
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1O	REAL300000423971	0	29	-2.0	-102.10	306.80	3.29	-98.81
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1O	REAL300000423972	0	34	-2.0	-115.47	311.21	0.02	-115.45
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000423973	0	32	-2.0	-111.54	304.33	3.73	-107.81
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CN=C1C	REAL300000423974	0	37	-2.0	-103.12	340.45	2.45	-100.67
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423975	0	41	-2.0	-111.13	377.90	2.32	-108.81
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423976	0	31	-2.0	-101.65	301.77	2.48	-99.17
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C(Br)N1C	REAL300000423977	0	32	-2.0	-117.94	314.83	2.55	-115.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1C(F)(F)F	REAL300000423978	0	35	-2.0	-103.70	328.64	4.62	-99.08
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423979	0	38	-2.0	-116.50	351.16	4.55	-111.95
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1O	REAL300000423980	0	31	-2.0	-101.28	313.96	2.97	-98.31
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)CC1	REAL300000423981	1	38	-2.0	-116.24	339.71	4.59	-111.65
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=NN1C	REAL300000423982	0	32	-2.0	-107.93	294.88	1.33	-106.60
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000423983	0	33	-2.0	-111.20	305.29	4.20	-107.00
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423984	0	42	-2.0	-121.94	368.17	3.97	-117.97
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423985	0	32	-2.0	-109.01	297.60	1.46	-107.55
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423986	0	36	-2.0	-108.12	346.01	3.34	-104.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)OC(C)C	REAL300000423987	0	44	-2.0	-109.44	387.13	5.92	-103.52
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1O	REAL300000423988	0	29	-2.0	-108.10	289.85	0.63	-107.47
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1O	REAL300000423989	0	35	-2.0	-105.12	320.51	3.03	-102.09
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000423990	0	42	-2.0	-108.27	384.06	3.47	-104.80
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=CC=C12	REAL300000423991	0	43	-2.0	-115.11	368.68	5.27	-109.84
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)=C1O	REAL300000423992	0	31	-2.0	-107.74	322.38	3.01	-104.73
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000423993	0	37	-2.0	-112.78	347.96	2.77	-110.01
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1O	REAL300000423994	0	37	-2.0	-101.49	345.36	1.67	-99.82
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=CC=C1	REAL300000423995	0	36	-2.0	-115.89	330.21	2.85	-113.04
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=C1O	REAL300000423996	0	32	-2.0	-106.60	311.43	0.68	-105.92
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000423997	0	42	-2.0	-110.26	364.34	4.16	-106.10
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000423998	0	33	-2.0	-104.52	319.73	2.97	-101.55
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1O	REAL300000423999	0	31	-3.0	-186.52	306.31	3.69	-182.83
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1O	REAL300000424000	0	26	-2.0	-114.14	273.58	1.09	-113.05
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1O	REAL300000424001	0	31	-2.0	-121.55	305.41	2.51	-119.04
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1O	REAL300000424002	0	34	-2.0	-113.89	310.02	2.94	-110.95
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1O	REAL300000424003	0	35	-2.0	-119.29	324.73	5.40	-113.89
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1O	REAL300000424004	0	32	-2.0	-115.19	314.36	2.17	-113.02
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424005	0	35	-2.0	-117.09	342.65	4.64	-112.45
CCC1=CC(CC)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(CC)=C1	REAL300000424006	0	47	-2.0	-109.61	378.97	7.98	-101.63
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424007	0	32	-2.0	-110.93	300.78	4.62	-106.31
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1O	REAL300000424008	0	33	-2.0	-107.75	318.63	3.22	-104.53
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1O	REAL300000424009	0	34	-2.0	-120.78	310.52	2.91	-117.87
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000424010	0	38	-2.0	-112.84	356.63	4.59	-108.25
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C2=CC=CC(C)=C2S1	REAL300000424011	0	38	-2.0	-112.53	344.10	6.13	-106.40
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)=C1O	REAL300000424012	0	33	-2.0	-108.03	328.96	3.67	-104.36
CCC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O)OC	REAL300000424013	0	35	-2.0	-108.89	306.54	1.77	-107.12
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424014	0	42	-2.0	-110.44	362.90	4.55	-105.89
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424015	0	41	-2.0	-109.87	345.71	3.01	-106.86
O=C([O-])C1=CC=CC([N-]S(=O)(=O)CCOCC2CC2)=C1O	REAL300000424016	0	36	-2.0	-104.93	324.63	2.47	-102.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000424017	0	32	-2.0	-117.21	304.12	4.04	-113.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C1=CC=CC=C1	REAL300000424018	0	43	-2.0	-112.80	382.41	6.17	-106.63
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1O	REAL300000424019	0	28	-2.0	-103.25	299.25	2.29	-100.96
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1Br	REAL300000424020	0	29	-2.0	-104.62	297.79	1.25	-103.37
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000424021	0	34	-2.0	-109.80	318.06	1.56	-108.24
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O)C1=CC=CC=C1	REAL300000424022	0	36	-2.0	-132.32	336.39	1.83	-130.49
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000424023	0	34	-3.0	-172.42	323.84	4.23	-168.19
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000424023	1	35	-2.0	-102.54	327.67	4.27	-98.27
COC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O)C1CC1	REAL300000424024	0	36	-2.0	-109.42	317.02	2.49	-106.93
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424025	0	33	-2.0	-113.31	308.88	2.96	-110.35
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=C1O	REAL300000424026	0	32	-2.0	-100.90	313.83	2.20	-98.70
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1[N+](=O)[O-]	REAL300000424027	0	37	-2.0	-108.63	336.77	4.94	-103.69
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424028	0	45	-2.0	-118.95	378.64	5.22	-113.73
COC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O)C1CCOCC1	REAL300000424029	0	43	-2.0	-111.39	356.06	1.77	-109.62
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000424030	0	32	-2.0	-101.47	317.47	0.33	-101.14
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=C1O	REAL300000424031	0	33	-2.0	-106.17	324.29	1.26	-104.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000424032	0	32	-2.0	-105.54	309.67	4.21	-101.33
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CC=C1	REAL300000424033	0	35	-2.0	-119.96	322.31	4.08	-115.88
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C2)=N1	REAL300000424034	0	38	-2.0	-109.43	360.45	4.57	-104.86
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424035	0	38	-2.0	-115.74	354.76	4.46	-111.28
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C([N+](=O)[O-])S1	REAL300000424036	0	31	-2.0	-117.87	308.80	4.29	-113.58
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424037	0	34	-2.0	-124.68	314.80	-0.98	-125.66
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)=C1O	REAL300000424038	0	31	-2.0	-101.34	312.72	3.10	-98.24
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1O	REAL300000424039	0	32	-2.0	-105.62	316.21	1.29	-104.33
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1O	REAL300000424040	0	28	-2.0	-112.98	274.72	1.27	-111.71
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1O	REAL300000424042	0	28	-2.0	-101.27	275.62	1.25	-100.02
O=C([O-])C1=CC=CC([N-]S(=O)(=O)CCOCC2CCC2)=C1O	REAL300000424043	0	39	-2.0	-104.93	341.19	3.00	-101.93
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=C1O	REAL300000424044	0	31	-2.0	-108.69	324.80	3.07	-105.62
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424045	0	36	-2.0	-114.89	341.98	4.85	-110.04
COC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O)C(C)C	REAL300000424046	0	38	-2.0	-109.27	324.14	2.09	-107.18
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1O	REAL300000424047	0	29	-2.0	-101.81	296.80	3.67	-98.14
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1O	REAL300000424048	0	38	-2.0	-117.90	335.93	3.45	-114.45
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=C1O	REAL300000424049	0	36	-2.0	-115.01	339.30	0.96	-114.05
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1O	REAL300000424050	0	37	-2.0	-119.78	326.41	4.30	-115.48
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424051	0	39	-2.0	-111.32	347.74	2.08	-109.24
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000424052	0	38	-2.0	-109.59	356.33	4.76	-104.83
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)S2)C1	REAL300000424054	0	40	-2.0	-111.12	364.00	3.54	-107.58
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000424055	0	44	-2.0	-116.19	384.08	5.44	-110.75
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424057	0	36	-2.0	-121.43	330.14	0.55	-120.88
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(=O)NC1=O	REAL300000424058	0	32	-2.0	-115.40	302.62	-0.21	-115.61
CC(C)OC1(CS(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)CCOC1	REAL300000424059	0	43	-2.0	-110.41	350.09	2.14	-108.27
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)=C1O	REAL300000424060	0	41	-2.0	-110.16	358.45	4.52	-105.64
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=C2)=N1	REAL300000424061	0	41	-2.0	-112.69	367.28	3.01	-109.68
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)N(C)N=C1	REAL300000424062	0	35	-2.0	-110.86	323.45	2.17	-108.69
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C	REAL300000424063	0	40	-2.0	-113.88	359.91	2.28	-111.60
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424064	0	34	-2.0	-96.76	330.37	4.93	-91.83
CCOC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O)C1CC1	REAL300000424065	0	39	-2.0	-109.67	337.63	3.46	-106.21
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)=C1O	REAL300000424066	0	36	-2.0	-118.98	340.72	4.90	-114.08
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1F	REAL300000424067	0	35	-2.0	-112.46	339.04	3.84	-108.62
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424068	0	42	-2.0	-113.81	364.25	4.76	-109.05
COC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O)C1CCCC1	REAL300000424069	0	42	-2.0	-106.87	347.88	3.45	-103.42
COC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O)C1CCCCC1	REAL300000424070	0	45	-2.0	-107.53	364.47	3.99	-103.54
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=C1O	REAL300000424071	0	42	-2.0	-107.33	375.19	5.42	-101.91
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000424072	0	34	-2.0	-114.26	322.01	5.23	-109.03
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CN1CC1CC1	REAL300000424073	0	42	-2.0	-121.97	373.08	5.04	-116.93
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)O1	REAL300000424074	0	35	-2.0	-105.45	331.65	2.48	-102.97
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C2C1	REAL300000424075	0	40	-2.0	-116.94	359.20	3.68	-113.26
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1O	REAL300000424076	0	32	-2.0	-107.56	313.96	2.60	-104.96
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(C)C	REAL300000424077	0	48	-2.0	-109.90	405.68	6.15	-103.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=C1[N+](=O)[O-]	REAL300000424078	0	37	-2.0	-106.91	337.88	5.45	-101.46
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1O	REAL300000424079	0	37	-3.0	-188.98	343.72	5.78	-183.20
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1O	REAL300000424079	1	38	-2.0	-113.74	343.40	5.72	-108.02
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424080	0	32	-2.0	-97.66	315.82	1.72	-95.94
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1O	REAL300000424081	0	28	-2.0	-106.78	291.57	1.70	-105.08
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1O	REAL300000424082	0	39	-2.0	-122.23	340.31	6.50	-115.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(F)=C1F	REAL300000424083	0	32	-2.0	-114.08	306.30	3.89	-110.19
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)OC=C1	REAL300000424084	0	32	-2.0	-117.29	307.60	2.47	-114.82
CCC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C(C)C=C1OC	REAL300000424085	0	42	-2.0	-110.31	360.44	4.67	-105.64
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=N1	REAL300000424086	0	31	-2.0	-122.69	302.57	2.00	-120.69
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=N1	REAL300000424087	0	41	-2.0	-108.70	362.13	3.87	-104.83
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C(OC)C=C1F	REAL300000424088	0	39	-2.0	-108.61	361.68	3.58	-105.03
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424089	0	42	-2.0	-107.87	378.18	4.64	-103.23
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424090	0	30	-3.0	-178.46	298.89	1.77	-176.69
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424091	0	33	-2.0	-109.07	306.99	3.26	-105.81
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(C)C	REAL300000424092	0	45	-2.0	-110.47	384.19	5.35	-105.12
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000424093	0	41	-2.0	-108.09	352.43	5.36	-102.73
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424094	0	30	-2.0	-101.87	301.45	3.57	-98.30
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1C(F)(F)F	REAL300000424095	0	32	-2.0	-105.49	307.36	1.73	-103.76
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1O	REAL300000424096	0	31	-2.0	-109.89	297.49	2.14	-107.75
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1O	REAL300000424096	1	31	-2.0	-122.00	297.38	2.28	-119.72
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1O	REAL300000424097	0	33	-2.0	-117.81	307.95	3.06	-114.75
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424098	0	39	-2.0	-107.69	335.21	3.21	-104.48
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C(C)(C)C)=N1	REAL300000424099	0	41	-2.0	-107.78	342.58	3.72	-104.06
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1O	REAL300000424100	0	39	-2.0	-108.39	341.62	3.44	-104.95
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(Br)=N1	REAL300000424101	0	29	-2.0	-109.01	299.41	1.31	-107.70
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2(COCC3=CC=CC=C3)CC2)=C1O	REAL300000424102	0	43	-2.0	-109.13	357.70	6.09	-103.04
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1O	REAL300000424103	0	30	-2.0	-107.11	290.40	0.86	-106.25
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])=C1O	REAL300000424103	1	29	-3.0	-194.65	286.84	1.72	-192.93
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000424104	0	39	-2.0	-110.49	351.43	5.88	-104.61
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424105	0	32	-2.0	-124.13	306.50	0.67	-123.46
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424106	0	35	-2.0	-108.43	317.06	2.26	-106.17
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000424107	0	34	-2.0	-109.53	319.22	3.58	-105.95
NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000424108	0	29	-2.0	-103.62	279.41	0.46	-103.16
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1O	REAL300000424109	0	32	-2.0	-105.94	313.43	4.05	-101.89
CN(C)S(=O)(=NS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O)C1=CC=CC=C1	REAL300000424110	0	41	-2.0	-132.32	367.64	2.39	-129.93
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1CC	REAL300000424112	0	45	-2.0	-109.38	388.77	5.60	-103.78
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000424113	0	36	-2.0	-113.44	337.97	5.06	-108.38
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424114	0	35	-2.0	-104.70	321.07	5.29	-99.41
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424115	0	29	-2.0	-100.85	293.46	-1.10	-101.95
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424116	0	43	-2.0	-126.22	374.54	2.75	-123.47
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)O1	REAL300000424117	0	42	-2.0	-112.90	346.26	3.31	-109.59
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NS2)=C1O	REAL300000424118	0	25	-2.0	-103.44	260.96	0.80	-102.64
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424120	0	35	-3.0	-170.42	330.88	3.46	-166.96
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C(C(N)=O)O1	REAL300000424121	0	33	-2.0	-107.60	313.72	-1.30	-108.90
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424122	0	38	-2.0	-109.08	325.94	5.62	-103.46
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1O	REAL300000424123	0	29	-2.0	-109.16	289.57	3.16	-106.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C(Cl)O1	REAL300000424124	0	28	-3.0	-165.37	302.78	2.63	-162.74
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1O	REAL300000424125	0	34	-2.0	-120.33	310.46	3.61	-116.72
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424126	0	36	-2.0	-112.28	335.63	3.30	-108.98
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1F	REAL300000424127	0	30	-2.0	-114.02	300.03	3.53	-110.49
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424128	0	32	-2.0	-101.65	328.78	2.37	-99.28
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C21	REAL300000424129	0	43	-2.0	-108.77	369.77	3.19	-105.58
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C21	REAL300000424130	0	43	-2.0	-131.95	375.04	5.03	-126.92
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1O	REAL300000424131	0	36	-2.0	-108.64	324.11	2.77	-105.87
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1O	REAL300000424132	0	36	-2.0	-105.79	319.44	3.08	-102.71
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1O	REAL300000424133	0	39	-2.0	-105.93	343.61	3.71	-102.22
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424134	0	42	-2.0	-120.38	379.01	4.48	-115.90
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)=C1O	REAL300000424135	0	34	-2.0	-115.30	325.88	2.11	-113.19
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)=C1O	REAL300000424135	1	33	-3.0	-198.23	322.65	3.05	-195.18
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=NN2C1	REAL300000424136	0	40	-2.0	-115.47	349.26	1.11	-114.36
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1O	REAL300000424137	0	35	-2.0	-109.81	341.05	4.00	-105.81
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=CC=C1	REAL300000424138	0	35	-2.0	-108.75	324.93	0.34	-108.41
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1O	REAL300000424139	0	26	-2.0	-108.61	278.32	1.68	-106.93
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000424140	0	33	-2.0	-100.74	320.09	2.66	-98.08
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1O	REAL300000424141	0	36	-2.0	-112.37	318.60	3.13	-109.24
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1F	REAL300000424142	0	33	-2.0	-107.97	315.41	2.55	-105.42
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C	REAL300000424143	0	45	-2.0	-111.93	377.76	5.15	-106.78
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424144	0	39	-2.0	-115.62	348.67	4.50	-111.12
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424145	0	32	-2.0	-106.99	297.11	3.80	-103.19
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=C2O1	REAL300000424146	0	37	-2.0	-121.84	331.52	3.67	-118.17
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000424147	0	37	-2.0	-107.70	342.89	2.77	-104.93
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C2)CC1	REAL300000424148	0	37	-2.0	-111.88	342.45	5.31	-106.57
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424149	0	33	-2.0	-113.56	310.67	3.76	-109.80
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=C1O	REAL300000424150	0	35	-2.0	-116.28	327.92	3.71	-112.57
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C21	REAL300000424151	0	43	-2.0	-109.69	371.35	4.59	-105.10
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1O	REAL300000424152	0	26	-2.0	-108.20	279.64	2.54	-105.66
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424153	0	29	-2.0	-99.34	296.16	1.23	-98.11
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1O	REAL300000424154	0	31	-2.0	-101.33	308.11	2.24	-99.09
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424155	0	34	-2.0	-125.08	315.93	2.69	-122.39
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1O	REAL300000424156	0	30	-2.0	-100.27	289.09	1.88	-98.39
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1O	REAL300000424157	0	32	-2.0	-112.74	313.05	4.52	-108.22
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1O	REAL300000424158	0	32	-2.0	-123.98	319.12	2.80	-121.18
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424159	0	36	-2.0	-104.75	326.15	2.81	-101.94
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=C1F	REAL300000424160	0	38	-2.0	-108.32	329.96	5.46	-102.86
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1OC	REAL300000424161	0	37	-2.0	-113.89	329.99	3.02	-110.87
O=C([O-])C1=C(O)C([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=CC=C1	REAL300000424162	0	38	-2.0	-115.07	342.53	0.33	-114.74
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CC=C1Br	REAL300000424163	0	30	-2.0	-100.99	314.73	4.01	-96.98
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1O	REAL300000424164	0	32	-2.0	-113.34	303.99	3.38	-109.96
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1OC	REAL300000424165	0	37	-2.0	-118.89	333.68	3.43	-115.46
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C2CCCC2)=N1	REAL300000424166	0	42	-2.0	-112.81	363.01	3.99	-108.82
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C2CC2)=N1	REAL300000424167	0	36	-2.0	-111.32	329.48	3.03	-108.29
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1O	REAL300000424168	0	33	-2.0	-110.15	313.45	2.68	-107.47
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1O	REAL300000424169	0	32	-2.0	-118.12	303.65	2.30	-115.82
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=CC=C21	REAL300000424170	0	34	-2.0	-129.09	318.76	1.50	-127.59
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=C21	REAL300000424171	0	36	-2.0	-111.11	314.89	5.06	-106.05
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CN=C1N	REAL300000424172	0	33	-2.0	-110.31	302.22	0.81	-109.50
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424173	0	29	-2.0	-108.34	291.51	-1.03	-109.37
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)=C1O	REAL300000424175	0	35	-2.0	-103.31	342.43	4.23	-99.08
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1O	REAL300000424176	0	32	-2.0	-108.69	307.89	3.48	-105.21
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C2CCC2)=N1	REAL300000424177	0	39	-2.0	-112.04	345.73	3.50	-108.54
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424178	0	47	-2.0	-114.14	388.45	7.03	-107.11
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1O	REAL300000424179	0	26	-2.0	-107.51	280.02	2.64	-104.87
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1O	REAL300000424180	0	39	-2.0	-108.74	348.19	3.73	-105.01
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1O	REAL300000424181	0	33	-2.0	-114.37	311.24	4.29	-110.08
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)=C1O	REAL300000424182	0	40	-2.0	-115.98	372.73	5.93	-110.05
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000424183	0	42	-2.0	-119.27	364.00	1.51	-117.76
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C2=NC=CC=C2C=C1	REAL300000424184	0	38	-2.0	-135.02	339.63	4.30	-130.72
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424185	0	38	-2.0	-112.07	338.60	5.32	-106.75
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424186	0	35	-2.0	-102.65	330.49	1.45	-101.20
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424187	0	36	-2.0	-108.29	319.93	2.62	-105.67
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1O	REAL300000424188	0	33	-2.0	-97.66	330.66	4.44	-93.22
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424189	0	35	-2.0	-110.97	304.34	4.78	-106.19
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424190	0	38	-2.0	-103.14	321.20	3.02	-100.12
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000424191	0	38	-2.0	-108.92	338.71	2.81	-106.11
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1O	REAL300000424192	0	36	-2.0	-109.11	322.79	2.18	-106.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=CN=C1C(F)(F)F	REAL300000424193	0	34	-2.0	-101.26	325.13	2.92	-98.34
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000424194	0	40	-2.0	-108.22	348.48	3.92	-104.30
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=C1O	REAL300000424195	0	31	-2.0	-95.38	313.23	3.85	-91.53
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=C1O	REAL300000424196	0	32	-2.0	-101.41	319.68	4.18	-97.23
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1O	REAL300000424197	0	32	-2.0	-111.01	302.21	3.91	-107.10
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1O	REAL300000424198	0	29	-2.0	-109.45	295.74	3.47	-105.98
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1O	REAL300000424199	0	29	-2.0	-102.66	305.94	3.20	-99.46
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424200	0	32	-2.0	-103.98	296.39	1.32	-102.66
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)=C1O	REAL300000424202	0	32	-2.0	-100.78	326.11	4.52	-96.26
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1C	REAL300000424203	0	35	-2.0	-111.41	306.71	4.41	-107.00
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1O	REAL300000424204	0	32	-2.0	-119.34	295.21	4.39	-114.95
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424205	0	40	-2.0	-119.86	358.79	5.14	-114.72
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000424207	0	39	-2.0	-113.49	354.44	4.80	-108.69
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)=C1O	REAL300000424208	0	35	-2.0	-105.79	336.67	4.13	-101.66
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424209	0	34	-2.0	-107.12	333.00	3.58	-103.54
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000424210	0	38	-2.0	-111.20	352.64	4.75	-106.45
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000424211	0	30	-2.0	-110.70	306.83	3.96	-106.74
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)=C1O	REAL300000424212	0	38	-2.0	-118.03	348.33	3.06	-114.97
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1O	REAL300000424213	0	29	-2.0	-110.63	294.22	3.35	-107.28
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1O	REAL300000424214	0	36	-2.0	-112.43	323.43	5.21	-107.22
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=CS1	REAL300000424215	0	30	-2.0	-113.97	296.47	1.54	-112.43
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=C1O	REAL300000424216	0	32	-2.0	-108.60	306.50	4.55	-104.05
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424217	0	35	-2.0	-105.71	339.19	3.40	-102.31
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1O	REAL300000424218	0	36	-2.0	-114.22	328.93	5.27	-108.95
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1O	REAL300000424219	0	39	-2.0	-105.88	338.98	3.70	-102.18
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424220	0	38	-2.0	-105.15	334.15	3.00	-102.15
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000424221	0	38	-2.0	-116.63	345.42	0.62	-116.01
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424222	0	32	-2.0	-117.33	328.15	-0.40	-117.73
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C2=N1	REAL300000424223	0	34	-2.0	-120.72	317.81	1.45	-119.27
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)O1	REAL300000424224	0	32	-2.0	-110.27	300.29	2.69	-107.58
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1O	REAL300000424225	0	29	-2.0	-103.61	298.07	2.32	-101.29
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424226	0	33	-2.0	-106.39	315.16	3.02	-103.37
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C2CCOCC2)=N1	REAL300000424227	0	43	-2.0	-110.61	372.55	2.25	-108.36
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424228	0	35	-2.0	-110.74	327.42	4.64	-106.10
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1O	REAL300000424229	0	33	-2.0	-110.14	313.46	2.68	-107.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000424231	0	30	-2.0	-107.35	298.01	1.55	-105.80
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C2=NC=CC=C12	REAL300000424232	0	40	-2.0	-127.78	345.63	5.39	-122.39
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1O	REAL300000424234	0	32	-2.0	-105.97	306.88	1.79	-104.18
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424235	0	39	-2.0	-112.66	351.13	3.80	-108.86
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000424236	0	32	-2.0	-106.34	325.88	2.55	-103.79
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424237	0	39	-2.0	-106.67	353.89	4.29	-102.38
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1O	REAL300000424238	0	42	-2.0	-108.00	360.60	4.04	-103.96
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)=C1O	REAL300000424239	0	40	-2.0	-107.73	362.91	5.94	-101.79
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1O	REAL300000424240	0	32	-2.0	-113.93	295.90	4.01	-109.92
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424241	0	41	-2.0	-113.30	356.92	5.79	-107.51
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1O	REAL300000424242	0	32	-2.0	-113.52	299.71	3.49	-110.03
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1O	REAL300000424243	0	31	-2.0	-111.93	305.15	2.49	-109.44
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=N1	REAL300000424244	0	31	-2.0	-108.78	295.07	-0.06	-108.84
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000424245	0	32	-2.0	-105.45	315.88	2.02	-103.43
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=C1O	REAL300000424247	0	31	-2.0	-104.81	315.22	2.37	-102.44
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)=C1O	REAL300000424248	0	34	-2.0	-122.31	330.68	4.29	-118.02
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1O	REAL300000424249	0	26	-2.0	-104.54	273.96	1.71	-102.83
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=C1O	REAL300000424250	0	34	-2.0	-120.05	327.42	4.07	-115.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C2=CC=CC=C12	REAL300000424251	0	38	-2.0	-120.01	332.98	5.94	-114.07
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=C1O	REAL300000424252	0	36	-2.0	-110.59	332.13	3.47	-107.12
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000424253	0	43	-2.0	-107.44	378.36	4.58	-102.86
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1O	REAL300000424254	0	29	-2.0	-106.08	301.73	3.71	-102.37
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)O1	REAL300000424255	0	35	-2.0	-121.39	337.84	-0.61	-122.00
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C2=CC=CC=C2)=N1	REAL300000424256	0	39	-2.0	-113.44	351.63	4.54	-108.90
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1O	REAL300000424260	0	33	-2.0	-110.45	318.02	4.41	-106.04
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1[N+](=O)[O-]	REAL300000424261	0	32	-2.0	-101.52	319.66	3.92	-97.60
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=C1O	REAL300000424263	0	25	-2.0	-100.24	278.15	1.52	-98.72
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000424264	0	39	-2.0	-110.43	360.88	5.01	-105.42
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=NN1	REAL300000424265	0	35	-2.0	-108.46	334.41	0.91	-107.55
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1OC	REAL300000424266	0	34	-2.0	-110.68	327.21	1.11	-109.57
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1O	REAL300000424267	0	29	-3.0	-164.98	310.79	2.15	-162.83
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1O	REAL300000424267	1	30	-2.0	-87.27	309.77	1.71	-85.56
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1O	REAL300000424268	0	28	-2.0	-96.93	291.84	1.73	-95.20
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)=C1O	REAL300000424269	0	33	-2.0	-108.39	322.51	4.10	-104.29
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=C1O	REAL300000424270	0	33	-2.0	-109.11	319.68	2.73	-106.38
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424271	0	35	-2.0	-108.59	317.62	3.11	-105.48
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000424272	0	36	-2.0	-117.52	327.92	4.87	-112.65
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=C1O	REAL300000424273	0	32	-2.0	-112.88	304.90	4.51	-108.37
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)=C1O	REAL300000424274	0	38	-2.0	-105.55	353.09	3.58	-101.97
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1O	REAL300000424275	0	26	-2.0	-99.69	299.30	3.20	-96.49
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000424276	0	29	-2.0	-105.18	294.07	1.15	-104.03
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424277	0	42	-2.0	-111.48	367.93	5.53	-105.95
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=C1O	REAL300000424278	0	34	-2.0	-108.54	325.66	3.74	-104.80
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)=C1O	REAL300000424279	0	40	-2.0	-112.46	362.94	5.95	-106.51
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424280	0	35	-2.0	-122.12	312.06	4.94	-117.18
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)OC=C1	REAL300000424281	0	27	-2.0	-109.03	278.37	1.54	-107.49
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1O	REAL300000424282	0	34	-2.0	-107.87	329.07	1.67	-106.20
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=C1O	REAL300000424283	0	30	-2.0	-111.88	315.72	1.88	-110.00
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000424284	0	38	-2.0	-113.84	356.13	2.16	-111.68
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)S1	REAL300000424284	1	37	-3.0	-174.46	352.84	1.03	-173.43
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424285	0	31	-2.0	-100.89	301.96	2.50	-98.39
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424286	0	40	-2.0	-113.59	357.85	4.73	-108.86
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C2CC2)=N1	REAL300000424287	0	39	-2.0	-111.51	351.01	3.89	-107.62
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C2=NSN=C2C=C1	REAL300000424288	0	33	-2.0	-117.24	312.22	2.47	-114.77
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=C1O	REAL300000424289	0	35	-2.0	-108.78	336.85	5.88	-102.90
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(=O)NC(=O)N1	REAL300000424290	0	32	-2.0	-112.56	297.08	-0.84	-113.40
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C(Cl)S1	REAL300000424291	0	32	-2.0	-114.21	330.53	4.03	-110.18
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424292	0	42	-2.0	-107.10	360.90	4.30	-102.80
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1O	REAL300000424293	0	26	-2.0	-106.77	273.00	1.60	-105.17
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1O	REAL300000424294	0	26	-2.0	-104.30	283.02	2.61	-101.69
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424295	0	43	-2.0	-117.84	379.04	3.40	-114.44
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1O	REAL300000424296	0	35	-2.0	-114.22	333.06	5.95	-108.27
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424297	0	37	-2.0	-106.15	326.52	0.83	-105.32
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1O	REAL300000424298	0	36	-2.0	-114.08	317.77	5.27	-108.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C)=N1	REAL300000424302	0	35	-2.0	-104.07	317.06	0.54	-103.53
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424303	0	35	-2.0	-114.52	321.62	0.92	-113.60
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)=C1O	REAL300000424304	0	44	-2.0	-108.82	376.09	3.48	-105.34
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424305	0	32	-2.0	-108.48	316.93	0.76	-107.72
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C	REAL300000424306	0	35	-2.0	-105.44	321.53	0.52	-104.92
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=N1	REAL300000424307	0	38	-2.0	-107.89	337.15	3.24	-104.65
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424308	0	38	-2.0	-109.27	337.79	2.84	-106.43
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1O	REAL300000424309	0	28	-2.0	-106.68	301.55	1.08	-105.60
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=CO1	REAL300000424310	0	27	-2.0	-110.20	277.19	1.51	-108.69
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)SC=C1	REAL300000424311	0	27	-2.0	-109.86	286.26	2.44	-107.42
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424313	0	35	-2.0	-104.73	315.91	2.37	-102.36
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C	REAL300000424314	0	37	-2.0	-103.26	340.99	2.46	-100.80
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1O	REAL300000424315	0	38	-3.0	-171.61	348.80	5.55	-166.06
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1O	REAL300000424315	1	39	-2.0	-104.02	348.89	5.50	-98.52
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424316	0	32	-2.0	-116.16	313.51	4.89	-111.27
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1O	REAL300000424317	0	36	-2.0	-104.51	326.42	3.20	-101.31
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1O	REAL300000424318	0	36	-2.0	-110.22	326.16	4.31	-105.91
COC1=NOC(CS(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424319	0	32	-2.0	-104.90	305.27	-0.54	-105.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=NN1C(C)C	REAL300000424320	0	38	-2.0	-108.46	337.30	2.91	-105.55
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1O	REAL300000424321	0	36	-2.0	-111.40	334.07	5.29	-106.11
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1O	REAL300000424322	0	31	-2.0	-110.57	303.44	2.21	-108.36
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=C1O	REAL300000424323	0	29	-2.0	-107.96	313.62	-0.77	-108.73
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1	REAL300000424325	0	43	-2.0	-108.37	383.02	6.67	-101.70
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1O	REAL300000424326	0	36	-2.0	-111.12	335.71	5.34	-105.78
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1O	REAL300000424327	0	33	-2.0	-113.15	324.67	3.55	-109.60
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1O	REAL300000424328	0	38	-3.0	-181.29	346.76	5.53	-175.76
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1O	REAL300000424328	1	39	-2.0	-117.58	346.85	5.49	-112.09
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1O	REAL300000424329	0	30	-2.0	-111.39	285.23	0.24	-111.15
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424330	0	38	-2.0	-112.33	335.06	4.86	-107.47
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1O	REAL300000424331	0	32	-2.0	-113.93	311.88	4.03	-109.90
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSN=C2)=C1O	REAL300000424332	0	25	-2.0	-101.36	259.86	0.69	-100.67
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1O	REAL300000424333	0	33	-2.0	-122.04	322.11	2.36	-119.68
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1O	REAL300000424334	0	36	-2.0	-118.62	330.04	5.40	-113.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(Cl)=C1Cl	REAL300000424335	0	32	-2.0	-110.10	321.27	4.73	-105.37
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)=C1O	REAL300000424336	0	33	-2.0	-105.90	325.69	2.95	-102.95
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=C1O	REAL300000424337	0	36	-2.0	-110.65	342.12	4.14	-106.51
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C(C(F)F)=C1	REAL300000424338	0	36	-2.0	-107.77	331.48	3.43	-104.34
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C1C(=O)OC	REAL300000424339	0	42	-2.0	-109.08	378.17	4.73	-104.35
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3O)C=C2C1	REAL300000424340	0	42	-2.0	-114.10	373.58	5.63	-108.47
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424341	0	34	-2.0	-117.74	315.00	2.69	-115.05
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424342	0	35	-2.0	-107.23	339.31	1.27	-105.96
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1O	REAL300000424343	0	35	-2.0	-126.66	327.32	4.61	-122.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C2=NC=CC=C12	REAL300000424344	0	37	-2.0	-127.01	331.94	4.27	-122.74
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C(C(=O)[O-])O1	REAL300000424345	0	34	-3.0	-170.88	324.79	3.65	-167.23
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424346	0	42	-2.0	-120.45	363.67	5.11	-115.34
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)C=C(Cl)S1	REAL300000424347	0	29	-2.0	-103.24	300.76	3.48	-99.76
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CS2)=C1O	REAL300000424348	0	25	-2.0	-105.64	260.80	0.20	-105.44
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1O	REAL300000424349	0	36	-2.0	-109.89	319.93	2.41	-107.48
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2O)=C1	REAL300000424350	0	32	-2.0	-115.77	301.12	3.84	-111.93
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=C(C4=CC=CC=C4)C=CC=C32)=C1	REAL300000424367	0	43	-2.0	-110.32	368.78	9.13	-101.19
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1)NC(=O)CC2	REAL300000424376	0	40	-2.0	-112.09	359.27	3.54	-108.55
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)NC(=O)CC2	REAL300000424377	0	40	-2.0	-102.14	354.71	3.52	-98.62
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)NC(=O)CC2	REAL300000424378	0	40	-2.0	-114.94	354.74	3.51	-111.43
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)NC(=O)CC2	REAL300000424379	0	43	-2.0	-116.18	370.76	4.06	-112.12
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)NC(=O)CC2	REAL300000424380	0	40	-2.0	-112.58	360.22	3.58	-109.00
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)NC(=O)CC2	REAL300000424381	0	37	-2.0	-109.25	347.92	2.53	-106.72
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)NC(=O)CC2	REAL300000424382	0	43	-2.0	-115.94	370.18	4.30	-111.64
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)NC(=O)CC2	REAL300000424383	0	41	-2.0	-113.16	361.38	2.86	-110.30
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1)NC(=O)CC2	REAL300000424384	0	40	-2.0	-105.25	363.88	3.20	-102.05
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)NC(=O)CC2	REAL300000424385	0	37	-2.0	-110.48	346.39	2.55	-107.93
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)NC(=O)CC2	REAL300000424386	0	40	-2.0	-108.89	357.75	2.65	-106.24
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1)NC(=O)CC2	REAL300000424387	0	40	-2.0	-112.30	363.36	3.40	-108.90
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)NC(=O)CC2	REAL300000424388	0	40	-2.0	-101.48	359.25	3.55	-97.93
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)NC(=O)CC2	REAL300000424389	0	37	-2.0	-103.97	347.00	2.64	-101.33
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)NC(=O)CC2	REAL300000424390	0	40	-2.0	-105.60	361.14	3.58	-102.02
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)NC(=O)CC2	REAL300000424391	0	40	-2.0	-101.58	360.20	3.58	-98.00
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)NC(=O)CC2	REAL300000424392	0	41	-2.0	-114.79	364.45	1.23	-113.56
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)NC(=O)CC2	REAL300000424393	0	43	-2.0	-105.89	376.93	4.30	-101.59
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)NC(=O)CC2	REAL300000424394	0	43	-2.0	-110.50	364.78	4.14	-106.36
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)NC(=O)CC2	REAL300000424395	0	43	-2.0	-102.13	370.16	4.28	-97.85
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2OC)CCC(=O)N3)C=C1C(=O)[O-]	REAL300000424396	0	44	-2.0	-114.47	382.76	3.73	-110.74
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)NC(=O)CC2	REAL300000424397	0	43	-2.0	-102.34	370.75	4.07	-98.27
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)NC(=O)CC2	REAL300000424398	0	40	-2.0	-118.54	358.38	3.54	-115.00
COC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)NC(=O)CC2	REAL300000424399	0	39	-2.0	-112.62	351.71	1.58	-111.04
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2OC)CCC(=O)N3)C=C(C(=O)[O-])O1	REAL300000424400	0	43	-2.0	-108.57	376.86	3.50	-105.07
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1	REAL300000424401	0	35	-2.0	-86.50	340.74	1.44	-85.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC=C1F	REAL300000424402	0	28	-2.0	-100.96	289.56	2.95	-98.01
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1	REAL300000424403	0	36	-2.0	-103.55	343.89	3.95	-99.60
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424404	0	28	-2.0	-100.12	300.69	3.57	-96.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1	REAL300000424405	0	28	-2.0	-92.36	284.25	2.86	-89.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424406	0	28	-2.0	-103.06	285.05	2.91	-100.15
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1	REAL300000424407	0	32	-2.0	-109.93	312.41	2.66	-107.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC=C1Br	REAL300000424408	0	28	-2.0	-98.62	301.28	3.40	-95.22
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1	REAL300000424409	0	32	-2.0	-92.31	315.73	4.15	-88.16
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1C(=O)[O-]	REAL300000424410	0	31	-2.0	-103.92	301.05	3.44	-100.48
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424411	0	28	-2.0	-100.62	297.34	3.43	-97.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC=C1Cl	REAL300000424412	0	28	-2.0	-99.09	297.54	3.30	-95.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C(Cl)C=C1Cl	REAL300000424413	0	28	-2.0	-94.60	310.60	3.85	-90.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1C	REAL300000424414	0	34	-2.0	-107.82	316.67	4.17	-103.65
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424415	0	28	-2.0	-101.78	289.75	2.92	-98.86
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1	REAL300000424416	0	34	-2.0	-91.36	327.85	4.44	-86.92
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424417	0	25	-2.0	-97.64	278.21	1.94	-95.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1	REAL300000424418	0	31	-2.0	-105.92	299.70	3.64	-102.28
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1	REAL300000424419	0	32	-2.0	-90.90	315.34	3.14	-87.76
CN1C=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1C(=O)[O-]	REAL300000424420	0	29	-2.0	-101.68	291.68	2.27	-99.41
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1	REAL300000424421	0	32	-2.0	-106.67	308.05	1.69	-104.98
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424422	0	28	-2.0	-94.69	293.38	2.54	-92.15
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1C(=O)[O-]	REAL300000424423	0	34	-2.0	-104.90	316.49	4.22	-100.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CS1	REAL300000424424	0	25	-2.0	-99.00	276.68	1.95	-97.05
COC1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000424425	0	36	-2.0	-103.95	342.58	2.67	-101.28
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1C(=O)[O-]	REAL300000424426	0	32	-2.0	-108.83	312.32	2.97	-105.86
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424427	0	38	-2.0	-107.44	340.29	5.54	-101.90
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1	REAL300000424428	0	37	-2.0	-107.90	338.17	4.86	-103.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1	REAL300000424429	0	34	-2.0	-104.49	314.44	4.58	-99.91
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1	REAL300000424430	0	35	-2.0	-109.96	334.70	3.43	-106.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC(C(=O)[O-])=C1	REAL300000424431	0	30	-3.0	-177.24	312.69	3.43	-173.81
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424432	0	35	-2.0	-109.88	328.51	4.76	-105.12
CC1=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000424433	0	28	-2.0	-99.24	287.28	2.01	-97.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC2=C1OCCO2	REAL300000424434	0	34	-2.0	-109.31	326.44	2.63	-106.68
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424435	0	32	-2.0	-104.09	313.19	1.95	-102.14
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN(C(F)F)N=C3)C=C2C1	REAL300000424436	0	36	-2.0	-90.91	338.67	3.53	-87.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC(Cl)=C1Cl	REAL300000424437	0	28	-2.0	-93.68	311.95	3.71	-89.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C(Cl)C=C1F	REAL300000424438	0	28	-2.0	-97.67	301.86	3.45	-94.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1Cl	REAL300000424439	0	32	-2.0	-88.48	332.14	3.73	-84.75
CC1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC=C1OCC(=O)[O-]	REAL300000424440	0	35	-2.0	-90.23	336.19	3.90	-86.33
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1F	REAL300000424441	0	38	-2.0	-89.40	364.78	4.16	-85.24
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1	REAL300000424442	0	31	-2.0	-96.69	304.98	3.68	-93.01
CC1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000424443	0	41	-2.0	-90.34	378.63	4.83	-85.51
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1F	REAL300000424444	0	32	-2.0	-89.49	322.34	3.25	-86.24
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1C(=O)[O-]	REAL300000424445	0	35	-2.0	-109.52	334.17	3.89	-105.63
CC1=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C(C(=O)[O-])S1	REAL300000424446	0	28	-2.0	-100.46	294.73	2.80	-97.66
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424447	0	28	-2.0	-94.46	312.49	3.88	-90.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C(Cl)=C1	REAL300000424448	0	28	-2.0	-89.95	297.32	3.42	-86.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C(Br)=C1	REAL300000424449	0	28	-2.0	-89.58	300.67	3.56	-86.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1F	REAL300000424450	0	28	-2.0	-91.02	289.56	2.96	-88.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)S1	REAL300000424451	0	25	-2.0	-93.65	276.53	1.98	-91.67
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424452	0	28	-2.0	-95.75	290.68	2.93	-92.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1F	REAL300000424453	0	31	-2.0	-102.93	310.03	3.57	-99.36
COC1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000424454	0	32	-2.0	-94.53	324.58	3.48	-91.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C(F)=C1	REAL300000424455	0	28	-2.0	-91.32	289.73	2.93	-88.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1Cl	REAL300000424456	0	28	-2.0	-88.96	297.53	3.31	-85.65
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1	REAL300000424457	0	31	-2.0	-98.39	313.71	4.06	-94.33
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1	REAL300000424458	0	36	-2.0	-89.12	348.01	4.26	-84.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1Br	REAL300000424459	0	28	-2.0	-88.49	301.27	3.41	-85.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC(F)=C1F	REAL300000424460	0	28	-2.0	-94.29	295.10	2.94	-91.35
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424461	0	30	-2.0	-89.94	312.46	3.53	-86.41
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424462	0	29	-2.0	-105.14	293.98	0.58	-104.56
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1	REAL300000424463	0	31	-2.0	-95.97	306.45	3.64	-92.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC(Cl)=C1F	REAL300000424464	0	28	-2.0	-95.67	304.98	3.38	-92.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1	REAL300000424465	0	31	-2.0	-99.56	294.34	3.48	-96.08
CC1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC(C(=O)[O-])=C1F	REAL300000424466	0	31	-2.0	-103.68	309.11	3.51	-100.17
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1	REAL300000424467	0	31	-2.0	-92.83	299.68	3.63	-89.20
CC1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC(C(=O)[O-])=C1C	REAL300000424468	0	34	-2.0	-107.61	321.07	4.02	-103.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC=C1[N+](=O)[O-]	REAL300000424469	0	30	-2.0	-102.01	311.61	4.00	-98.01
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424470	0	28	-2.0	-93.52	296.03	2.99	-90.53
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C(C)=C1C(=O)[O-]	REAL300000424471	0	34	-2.0	-104.06	317.66	4.27	-99.79
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1C(=O)[O-]	REAL300000424472	0	31	-2.0	-103.76	309.59	3.56	-100.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1Cl	REAL300000424473	0	31	-2.0	-102.11	316.03	4.00	-98.11
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424474	0	31	-2.0	-107.53	309.31	3.54	-103.99
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1C(=O)[O-]	REAL300000424475	0	34	-2.0	-104.65	319.00	4.09	-100.56
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1CC(=O)[O-]	REAL300000424476	0	35	-2.0	-105.36	335.51	3.04	-102.32
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1	REAL300000424477	0	31	-2.0	-93.38	310.53	4.04	-89.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1C(F)(F)F	REAL300000424478	0	31	-2.0	-87.99	315.16	3.72	-84.27
CC1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000424479	0	31	-2.0	-102.26	315.50	3.82	-98.44
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424480	0	28	-2.0	-97.51	305.56	3.47	-94.04
CCN1C=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1C(=O)[O-]	REAL300000424481	0	32	-2.0	-102.82	313.05	3.14	-99.68
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C(C)=C1CC(=O)[O-]	REAL300000424482	0	40	-2.0	-103.36	349.42	5.73	-97.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C(F)C(Cl)=C1F	REAL300000424483	0	28	-2.0	-91.04	310.64	3.47	-87.57
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1C(=O)[O-]	REAL300000424484	0	31	-2.0	-98.15	318.01	3.93	-94.22
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C(C(=O)[O-])S1	REAL300000424485	0	37	-2.0	-102.43	333.74	4.98	-97.45
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1C(=O)[O-]	REAL300000424486	0	32	-2.0	-106.08	324.60	3.49	-102.59
CC1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000424487	0	31	-2.0	-91.32	301.04	3.45	-87.87
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C([N+](=O)[O-])=C1	REAL300000424488	0	33	-2.0	-96.38	327.54	5.05	-91.33
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1	REAL300000424489	0	31	-2.0	-103.90	303.81	3.69	-100.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1[N+](=O)[O-]	REAL300000424490	0	30	-2.0	-109.72	308.01	4.71	-105.01
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1F	REAL300000424491	0	28	-2.0	-107.02	287.94	2.89	-104.13
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C1C(=O)[O-]	REAL300000424492	0	31	-2.0	-96.40	309.21	3.54	-92.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=CC2=CC=CC=C21	REAL300000424493	0	34	-2.0	-111.25	325.31	4.98	-106.27
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C1	REAL300000424494	0	27	-2.0	-100.61	281.25	1.04	-99.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1	REAL300000424495	0	32	-2.0	-96.32	312.47	2.66	-93.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)=C(Cl)O1	REAL300000424496	0	25	-2.0	-92.92	284.42	1.84	-91.08
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(C(F)F)N=C3)C=C2)CC1	REAL300000424497	0	35	-2.0	-98.09	328.25	4.68	-93.41
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(C(F)F)N=C3)C=C2C1	REAL300000424498	0	35	-2.0	-101.64	329.71	4.74	-96.90
CCC1=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000424499	0	31	-2.0	-99.17	306.40	2.86	-96.31
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)OC)=C2)C=C1)C(=O)[O-]	REAL300000424500	1	46	-2.0	-126.09	401.86	8.47	-117.62
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1)C(=O)[O-]	REAL300000424503	0	40	-2.0	-132.62	356.94	8.13	-124.49
CCC(CC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424504	0	43	-2.0	-102.64	383.19	7.53	-95.11
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1)C(=O)[O-]	REAL300000424505	0	39	-2.0	-113.72	360.30	6.50	-107.22
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=C1)C(=O)[O-]	REAL300000424506	1	41	-2.0	-119.42	367.93	8.21	-111.21
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C=C1)C(=O)[O-]	REAL300000424507	1	41	-2.0	-115.57	367.87	8.22	-107.35
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1)C(=O)[O-]	REAL300000424508	0	40	-2.0	-120.63	370.69	8.46	-112.17
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=C1)C(=O)[O-]	REAL300000424509	0	41	-2.0	-133.09	366.59	8.15	-124.94
CCC(CC1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424510	0	43	-2.0	-121.98	382.74	8.42	-113.56
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424510	1	42	-3.0	-186.91	380.06	8.42	-178.49
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424511	1	45	-2.0	-122.49	395.33	9.16	-113.33
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)NN=C2C)C=C1)C(=O)[O-]	REAL300000424512	0	43	-2.0	-109.30	364.60	5.70	-103.60
CCC(CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000424514	0	43	-2.0	-105.87	383.33	8.31	-97.56
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2OC)C=C1)C(=O)[O-]	REAL300000424515	0	48	-2.0	-133.17	406.20	6.95	-126.22
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(OC)=C2)C=C1)C(=O)[O-]	REAL300000424516	1	48	-2.0	-121.61	405.79	7.02	-114.59
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)ON=C2C)C=C1)C(=O)[O-]	REAL300000424518	0	42	-2.0	-112.86	361.52	6.82	-106.04
CCC(CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424519	0	43	-2.0	-121.56	378.20	8.37	-113.19
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424519	1	42	-3.0	-191.48	376.91	8.41	-183.07
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1)C(=O)[O-]	REAL300000424520	1	40	-2.0	-112.68	361.14	7.98	-104.70
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300000424521	1	43	-2.0	-125.34	368.48	8.48	-116.86
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300000424523	1	40	-2.0	-119.92	363.80	8.34	-111.58
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)C=C1)C(=O)[O-]	REAL300000424524	1	45	-2.0	-121.82	389.67	8.28	-113.54
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2C)C=C1)C(=O)[O-]	REAL300000424525	1	46	-2.0	-125.64	385.36	9.32	-116.32
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000424527	1	40	-2.0	-113.05	371.03	8.42	-104.63
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)C=C1)C(=O)[O-]	REAL300000424528	1	45	-2.0	-133.95	391.22	8.34	-125.61
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(=O)OC)C=C1)C(=O)[O-]	REAL300000424530	0	46	-2.0	-137.70	395.47	9.24	-128.46
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)C=C1)C(=O)[O-]	REAL300000424531	1	52	-2.0	-124.05	424.65	10.18	-113.87
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)C=C1	REAL300000424533	1	52	-2.0	-123.63	425.75	10.41	-113.22
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1)C(=O)[O-]	REAL300000424534	0	37	-2.0	-116.15	357.45	7.50	-108.65
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC)C=C1)C(=O)[O-]	REAL300000424536	0	44	-2.0	-131.75	375.35	7.62	-124.13
CCC(CC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424537	0	46	-2.0	-102.84	395.29	8.91	-93.93
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1)C(=O)[O-]	REAL300000424538	0	40	-2.0	-117.99	366.52	8.06	-109.93
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000424539	0	40	-2.0	-125.44	361.60	8.44	-117.00
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424540	1	42	-2.0	-119.44	376.66	8.53	-110.91
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)C=C1)C(=O)[O-]	REAL300000424541	1	45	-2.0	-120.09	392.17	9.32	-110.77
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300000424542	0	37	-2.0	-122.11	339.03	6.83	-115.28
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000424544	0	42	-2.0	-136.32	369.13	9.19	-127.13
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1)C(=O)[O-]	REAL300000424547	0	40	-2.0	-119.53	359.02	7.96	-111.57
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300000424548	1	40	-2.0	-120.23	354.85	7.92	-112.31
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1)C(=O)[O-]	REAL300000424549	0	40	-2.0	-104.76	361.20	8.00	-96.76
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1)C(=O)[O-]	REAL300000424551	1	46	-2.0	-124.65	392.92	7.01	-117.64
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300000424553	1	40	-2.0	-116.98	363.78	8.34	-108.64
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000424554	0	42	-2.0	-111.15	376.67	8.53	-102.62
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300000424555	1	40	-2.0	-124.92	348.42	7.86	-117.06
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2)C=C1)C(=O)[O-]	REAL300000424556	1	47	-2.0	-129.46	404.50	6.76	-122.70
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)S2)C=C1)C(=O)[O-]	REAL300000424557	0	40	-2.0	-123.29	360.90	7.62	-115.67
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2OC)C=C1)C(=O)[O-]	REAL300000424558	0	44	-2.0	-124.15	393.43	8.17	-115.98
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1)C(=O)[O-]	REAL300000424559	0	42	-3.0	-190.67	382.40	8.50	-182.17
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C=C1)C(=O)[O-]	REAL300000424560	1	45	-2.0	-118.41	389.08	9.27	-109.14
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1)C(=O)[O-]	REAL300000424561	0	40	-2.0	-123.52	360.37	8.01	-115.51
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1)C(=O)[O-]	REAL300000424562	1	44	-2.0	-118.35	384.18	4.68	-113.67
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300000424563	1	44	-2.0	-121.36	387.25	8.84	-112.52
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1)C(=O)[O-]	REAL300000424564	1	45	-2.0	-120.06	390.48	6.32	-113.74
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1)C(=O)[O-]	REAL300000424565	0	39	-3.0	-184.27	370.11	7.45	-176.82
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1)C(=O)[O-]	REAL300000424566	1	43	-2.0	-117.27	380.18	5.37	-111.90
CCC(CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1)C(=O)[O-]	REAL300000424568	0	46	-2.0	-124.17	395.11	9.17	-115.00
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1)C(=O)[O-]	REAL300000424568	1	45	-3.0	-193.56	392.36	9.22	-184.34
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)C=C1)C(=O)[O-]	REAL300000424569	0	46	-2.0	-121.70	383.77	6.86	-114.84
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C=C2)C=C1)C(=O)[O-]	REAL300000424570	1	46	-2.0	-117.88	401.82	8.49	-109.39
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC)C=C2)C=C1)C(=O)[O-]	REAL300000424571	1	47	-2.0	-122.17	404.86	6.14	-116.03
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C=C1)C(=O)[O-]	REAL300000424572	1	44	-2.0	-122.09	382.93	4.64	-117.45
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1)C(=O)[O-]	REAL300000424574	1	46	-2.0	-127.01	393.02	10.10	-116.91
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)OC)SC=C2)C=C1)C(=O)[O-]	REAL300000424575	0	43	-2.0	-134.77	388.02	8.17	-126.60
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCOC)C=C2)C=C1)C(=O)[O-]	REAL300000424576	1	50	-2.0	-122.81	423.62	8.33	-114.48
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300000424579	1	40	-2.0	-116.26	353.46	7.88	-108.38
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1)C(=O)[O-]	REAL300000424580	0	40	-2.0	-129.06	352.59	7.89	-121.17
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(CC(CC)C(=O)[O-])C=C1	REAL300000424581	0	46	-2.0	-136.73	399.96	6.40	-130.33
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)C=C1)C(=O)[O-]	REAL300000424582	0	48	-2.0	-141.82	409.79	9.14	-132.68
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)C=C1)C(=O)[O-]	REAL300000424584	0	43	-2.0	-124.84	381.65	9.06	-115.78
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1)C(=O)[O-]	REAL300000424586	0	40	-2.0	-116.53	367.99	8.51	-108.02
CCC(CC1=CC=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424588	0	44	-2.0	-101.64	390.17	7.65	-93.99
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424588	1	43	-3.0	-188.96	383.54	7.78	-181.18
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C=C1)C(=O)[O-]	REAL300000424589	0	40	-2.0	-129.53	365.93	7.44	-122.09
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C=C1)C(=O)[O-]	REAL300000424590	0	45	-2.0	-120.98	390.65	4.02	-116.96
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000424591	1	44	-2.0	-119.30	393.96	7.71	-111.59
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2)C=C1)C(=O)[O-]	REAL300000424592	1	44	-2.0	-118.60	382.79	7.19	-111.41
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)C=C1)C(=O)[O-]	REAL300000424595	1	47	-2.0	-117.92	399.03	5.32	-112.60
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2)C=C1)C(=O)[O-]	REAL300000424596	0	40	-2.0	-109.93	351.57	5.53	-104.40
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)C=C1)C(=O)[O-]	REAL300000424597	1	45	-2.0	-110.99	392.17	9.32	-101.67
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)NC)=C2)C=C1)C(=O)[O-]	REAL300000424599	0	48	-2.0	-121.44	412.63	5.51	-115.93
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)C=C1)C(=O)[O-]	REAL300000424600	1	43	-2.0	-120.27	379.32	9.12	-111.15
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1)C(=O)[O-]	REAL300000424603	0	42	-3.0	-181.71	384.64	8.06	-173.65
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000424604	1	41	-2.0	-111.77	384.65	8.67	-103.10
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C=C1)C(=O)[O-]	REAL300000424605	1	41	-2.0	-111.99	383.31	8.62	-103.37
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1)C(=O)[O-]	REAL300000424606	1	44	-2.0	-126.92	385.43	8.20	-118.72
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000424607	1	43	-2.0	-121.80	383.92	8.96	-112.84
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1)C(=O)[O-]	REAL300000424608	0	40	-2.0	-125.31	368.75	8.38	-116.93
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)C=C1)C(=O)[O-]	REAL300000424609	1	43	-2.0	-121.50	373.80	8.53	-112.97
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)C=C1)C(=O)[O-]	REAL300000424610	1	43	-2.0	-117.31	380.68	9.16	-108.15
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C=C1)C(=O)[O-]	REAL300000424611	0	43	-2.0	-129.32	374.02	8.55	-120.77
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)C=C1)C(=O)[O-]	REAL300000424612	1	43	-2.0	-120.73	370.35	8.72	-112.01
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)C=C1)C(=O)[O-]	REAL300000424613	1	46	-2.0	-122.64	407.10	9.88	-112.76
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000424614	0	45	-2.0	-134.99	382.07	10.11	-124.88
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)C=C1)C(=O)[O-]	REAL300000424615	0	48	-2.0	-141.65	408.37	9.11	-132.54
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424616	0	39	-3.0	-177.06	368.51	7.46	-169.60
CCC(CC1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424616	1	40	-2.0	-111.71	371.20	7.43	-104.28
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)C=C1)C(=O)[O-]	REAL300000424617	1	48	-2.0	-123.58	392.36	8.96	-114.62
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000424618	0	42	-2.0	-130.22	373.41	9.32	-120.90
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000424619	0	42	-2.0	-132.89	381.78	9.23	-123.66
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2O)C=C1)C(=O)[O-]	REAL300000424622	0	44	-2.0	-127.83	378.30	6.19	-121.64
CCC(CC1=CC=C(NS(=O)(=O)C2=CC(C)=CC=C2[O-])C=C1)C(=O)[O-]	REAL300000424622	1	44	-2.0	-103.35	377.33	7.12	-96.23
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1)C(=O)[O-]	REAL300000424623	0	37	-2.0	-117.45	330.01	4.26	-113.19
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)S2)C=C1)C(=O)[O-]	REAL300000424624	0	43	-2.0	-115.81	394.98	7.59	-108.22
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1)C(=O)[O-]	REAL300000424625	1	44	-2.0	-114.91	384.88	8.19	-106.72
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1)C(=O)[O-]	REAL300000424626	0	40	-2.0	-121.39	363.33	8.20	-113.19
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424627	0	42	-3.0	-182.99	378.58	7.52	-175.47
CCC(CC1=CC=C(NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424627	1	43	-2.0	-116.15	382.80	7.52	-108.63
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1)C(=O)[O-]	REAL300000424628	0	43	-2.0	-146.12	375.26	7.02	-139.10
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(CC(CC)C(=O)[O-])C=C1	REAL300000424629	0	50	-2.0	-134.14	419.98	9.26	-124.88
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000424630	0	42	-2.0	-139.68	371.13	9.39	-130.29
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1)C(=O)[O-]	REAL300000424631	0	47	-2.0	-121.49	409.01	8.98	-112.51
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1)C(=O)[O-]	REAL300000424632	0	39	-2.0	-113.74	349.86	6.12	-107.62
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CS2)C=C1)C(=O)[O-]	REAL300000424633	0	43	-2.0	-120.71	395.16	7.48	-113.23
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1)C(=O)[O-]	REAL300000424634	1	45	-2.0	-125.55	384.63	8.31	-117.24
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C=N2)C=C1)C(=O)[O-]	REAL300000424635	0	40	-2.0	-120.45	351.04	6.91	-113.54
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)C=C1)C(=O)[O-]	REAL300000424637	0	44	-2.0	-104.67	388.14	4.84	-99.83
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=C1)C(=O)[O-]	REAL300000424638	0	40	-2.0	-111.68	363.02	6.34	-105.34
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1)C(=O)[O-]	REAL300000424639	0	40	-2.0	-126.31	358.87	7.94	-118.37
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(OC)C=C2F)C=C1)C(=O)[O-]	REAL300000424640	0	44	-2.0	-126.97	386.40	7.43	-119.54
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1)C(=O)[O-]	REAL300000424641	0	46	-2.0	-130.46	391.57	7.50	-122.96
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C)=N2)C=C1)C(=O)[O-]	REAL300000424642	0	43	-2.0	-132.25	371.97	6.75	-125.50
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1)C(=O)[O-]	REAL300000424643	0	44	-2.0	-126.17	385.11	7.89	-118.28
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CC)N=C2)C=C1)C(=O)[O-]	REAL300000424644	0	43	-2.0	-120.64	374.52	6.43	-114.21
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(COC)=C2)C=C1)C(=O)[O-]	REAL300000424645	1	47	-2.0	-115.96	402.09	7.55	-108.41
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1)C(=O)[O-]	REAL300000424646	1	45	-2.0	-112.64	383.00	7.13	-105.51
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000424647	0	40	-2.0	-119.74	366.64	8.46	-111.28
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C)C=C1)C(=O)[O-]	REAL300000424650	0	40	-2.0	-117.98	348.85	4.91	-113.07
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC)=C2)C=C1)C(=O)[O-]	REAL300000424651	1	44	-2.0	-125.90	377.95	7.16	-118.74
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300000424652	1	43	-2.0	-124.90	362.13	8.60	-116.30
CCC(CC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2)C=C1)C(=O)[O-]	REAL300000424653	0	40	-2.0	-128.83	353.28	5.40	-123.43
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C)C=C1)C(=O)[O-]	REAL300000424654	0	40	-2.0	-114.45	348.68	5.49	-108.96
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2F)C=C1)C(=O)[O-]	REAL300000424660	0	43	-2.0	-128.88	375.38	8.61	-120.27
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)C=C1)C(=O)[O-]	REAL300000424661	1	43	-2.0	-117.25	375.15	8.56	-108.69
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1)C(=O)[O-]	REAL300000424662	0	37	-2.0	-120.27	328.33	5.21	-115.06
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)O2)C=C1)C(=O)[O-]	REAL300000424663	0	43	-2.0	-106.94	387.93	6.66	-100.28
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1)C(=O)[O-]	REAL300000424664	0	45	-2.0	-141.47	387.00	8.46	-133.01
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1)C(=O)[O-]	REAL300000424665	0	40	-2.0	-114.29	365.26	8.00	-106.29
CCC(CC1=CC=C(NS(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424666	0	43	-2.0	-115.29	378.25	7.95	-107.34
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424666	1	42	-3.0	-188.25	384.17	8.27	-179.98
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000424667	0	44	-2.0	-125.73	391.07	7.74	-117.99
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)C=C1)C(=O)[O-]	REAL300000424668	0	42	-2.0	-105.65	379.04	7.09	-98.56
CCC(CC1=CC=C([N-]S(=O)(=O)C2=NNC(C)=C2C(=O)OC)C=C1)C(=O)[O-]	REAL300000424669	0	46	-2.0	-132.44	406.61	5.45	-126.99
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)C=C1)C(=O)[O-]	REAL300000424672	0	52	-2.0	-121.44	427.61	8.47	-112.97
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CS2)C=C1)C(=O)[O-]	REAL300000424673	0	40	-2.0	-124.90	357.84	7.45	-117.45
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)N(CC)N=C2C)C=C1)C(=O)[O-]	REAL300000424674	0	49	-2.0	-112.03	406.91	7.77	-104.26
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C=C1)C(=O)[O-]	REAL300000424675	0	45	-2.0	-111.83	392.66	9.04	-102.79
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)C=C1)C(=O)[O-]	REAL300000424678	1	44	-2.0	-120.12	384.72	9.04	-111.08
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C=C1)C(=O)[O-]	REAL300000424679	1	52	-2.0	-122.62	400.62	10.57	-112.05
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2OC)C=C1)C(=O)[O-]	REAL300000424680	0	44	-2.0	-125.97	384.71	8.29	-117.68
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)C=C1)C(=O)[O-]	REAL300000424681	1	44	-2.0	-115.50	383.35	8.98	-106.52
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=C(CC(CC)C(=O)[O-])C=C1	REAL300000424682	1	52	-2.0	-126.19	413.16	11.09	-115.10
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C=C1)C(=O)[O-]	REAL300000424684	0	41	-2.0	-118.83	373.41	8.28	-110.55
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)C=C1)C(=O)[O-]	REAL300000424685	1	45	-2.0	-121.23	392.09	5.53	-115.70
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C=C1)C(=O)[O-]	REAL300000424686	0	46	-2.0	-111.28	391.80	6.91	-104.37
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1)C(=O)[O-]	REAL300000424688	1	45	-2.0	-123.63	388.04	8.21	-115.42
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(=O)OC)N=C2)C=C1)C(=O)[O-]	REAL300000424689	0	46	-2.0	-126.34	406.42	6.59	-119.75
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C=C1)C(=O)[O-]	REAL300000424690	0	46	-2.0	-131.10	392.23	6.30	-124.80
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1)C(=O)[O-]	REAL300000424693	1	40	-2.0	-107.48	367.44	8.04	-99.44
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)OC)=C2)C=C1)C(=O)[O-]	REAL300000424695	0	47	-2.0	-127.26	409.58	7.96	-119.30
CCC(CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1)C(=O)[O-]	REAL300000424696	0	43	-2.0	-107.92	387.89	8.34	-99.58
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1)C(=O)[O-]	REAL300000424696	1	42	-3.0	-176.68	381.44	8.47	-168.21
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1)C(=O)[O-]	REAL300000424698	0	39	-3.0	-179.92	367.84	7.51	-172.41
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C=C1)C(=O)[O-]	REAL300000424699	0	49	-2.0	-120.45	411.57	9.07	-111.38
CCC(CC1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424700	0	43	-2.0	-99.14	388.77	8.28	-90.86
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424700	1	42	-3.0	-181.01	381.93	8.45	-172.56
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CNC(C(=O)OC)=C2)C=C1)C(=O)[O-]	REAL300000424701	0	44	-2.0	-122.15	391.84	6.21	-115.94
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1)C(=O)[O-]	REAL300000424702	0	42	-3.0	-178.00	382.39	8.51	-169.49
CCC(CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1)C(=O)[O-]	REAL300000424702	1	43	-2.0	-99.49	385.15	8.47	-91.02
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)C=C1)C(=O)[O-]	REAL300000424703	1	43	-2.0	-119.87	367.91	8.63	-111.24
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)OC)=C2)C=C1)C(=O)[O-]	REAL300000424704	0	43	-2.0	-121.15	394.36	7.51	-113.64
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)N=C(C)S2)C=C1)C(=O)[O-]	REAL300000424705	0	42	-2.0	-119.62	372.33	6.40	-113.22
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C=C1)C(=O)[O-]	REAL300000424706	1	44	-2.0	-129.98	389.34	8.99	-120.99
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)=C1	REAL300000424707	1	46	-2.0	-125.59	389.98	9.25	-116.34
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)C=C1)C(=O)[O-]	REAL300000424708	1	43	-2.0	-121.52	376.25	8.59	-112.93
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(C)O2)C=C1)C(=O)[O-]	REAL300000424710	0	46	-2.0	-117.46	405.00	7.27	-110.19
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)C=C1)C(=O)[O-]	REAL300000424711	0	43	-2.0	-119.84	379.26	8.58	-111.26
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300000424712	1	46	-2.0	-133.98	389.48	10.18	-123.80
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1)C(=O)[O-]	REAL300000424713	0	42	-2.0	-120.32	380.43	7.35	-112.97
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1)C(=O)[O-]	REAL300000424714	0	43	-3.0	-192.76	385.28	6.10	-186.66
CCC(CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1)C(=O)[O-]	REAL300000424714	1	43	-3.0	-181.93	385.83	6.93	-175.00
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1)C(=O)[O-]	REAL300000424715	1	50	-2.0	-129.43	403.75	10.49	-118.94
CCC(CC1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000424716	0	46	-2.0	-105.41	401.80	9.18	-96.23
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000424716	1	45	-3.0	-183.88	399.06	9.20	-174.68
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)O1	REAL300000424717	0	46	-2.0	-107.03	409.79	7.58	-99.45
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424718	0	42	-2.0	-110.94	381.68	8.57	-102.37
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(OC)C=CS2)C=C1)C(=O)[O-]	REAL300000424720	0	41	-2.0	-133.52	370.61	6.14	-127.38
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1)C(=O)[O-]	REAL300000424721	0	43	-2.0	-125.87	378.19	8.26	-117.61
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)C=C1)C(=O)[O-]	REAL300000424722	0	48	-2.0	-143.40	408.63	9.06	-134.34
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CSN=C2C(=O)OC)C=C1)C(=O)[O-]	REAL300000424723	0	42	-2.0	-128.41	380.32	6.58	-121.83
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C=C1)C(=O)[O-]	REAL300000424724	0	40	-2.0	-112.00	363.13	6.74	-105.26
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C=C1)C(=O)[O-]	REAL300000424725	0	40	-2.0	-117.65	368.57	6.69	-110.96
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC(OC)=C2)C=C1)C(=O)[O-]	REAL300000424726	1	48	-2.0	-116.84	406.00	6.43	-110.41
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1)C(=O)[O-]	REAL300000424727	0	41	-2.0	-128.59	362.95	6.56	-122.03
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C=C1)C(=O)[O-]	REAL300000424728	0	41	-2.0	-113.36	370.68	5.71	-107.65
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C)S2)C=C1)C(=O)[O-]	REAL300000424729	0	39	-2.0	-119.08	356.99	5.69	-113.39
CCC(CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1)C(=O)[O-]	REAL300000424730	0	46	-2.0	-116.68	386.51	8.66	-108.02
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1)C(=O)[O-]	REAL300000424730	1	45	-3.0	-191.35	390.06	9.14	-182.21
CCC(CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1)C(=O)[O-]	REAL300000424732	0	46	-2.0	-106.75	395.09	9.18	-97.57
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C=C1)C(=O)[O-]	REAL300000424733	0	41	-2.0	-120.56	377.71	8.54	-112.02
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)C=C1)C(=O)[O-]	REAL300000424734	0	43	-2.0	-122.95	379.30	8.60	-114.35
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C=C1)C(=O)[O-]	REAL300000424737	0	46	-2.0	-131.63	393.87	8.24	-123.39
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)N=C2)C=C1)C(=O)[O-]	REAL300000424738	0	45	-2.0	-114.02	399.18	6.69	-107.33
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)=C1	REAL300000424739	1	48	-2.0	-133.71	411.53	9.13	-124.58
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CCOC)N=C2)C=C1)C(=O)[O-]	REAL300000424740	0	47	-2.0	-118.56	408.19	5.48	-113.08
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CC)N=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000424741	0	45	-2.0	-128.41	397.39	8.65	-119.76
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)C=C1)C(=O)[O-]	REAL300000424743	0	44	-2.0	-133.72	384.36	8.61	-125.11
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C=C1)C(=O)[O-]	REAL300000424744	0	49	-2.0	-123.70	420.10	9.47	-114.23
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)=C1	REAL300000424745	0	46	-2.0	-131.39	394.40	8.57	-122.82
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1)C(=O)[O-]	REAL300000424746	0	48	-2.0	-109.60	406.44	5.61	-103.99
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)C=C1)C(=O)[O-]	REAL300000424747	0	43	-2.0	-130.56	374.24	8.57	-121.99
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)C=N1	REAL300000424748	1	46	-2.0	-106.81	397.42	5.48	-101.33
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1)C(=O)[O-]	REAL300000424749	0	47	-2.0	-134.82	394.24	7.90	-126.92
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(COC)C=C2)C=C1)C(=O)[O-]	REAL300000424750	1	47	-2.0	-124.01	402.14	7.55	-116.46
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2O)C=C1)C(=O)[O-]	REAL300000424751	0	45	-2.0	-128.42	387.73	4.86	-123.56
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)C=C1)C(=O)[O-]	REAL300000424752	0	43	-2.0	-126.58	380.31	9.00	-117.58
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C)=C2)C=C1)C(=O)[O-]	REAL300000424754	0	43	-2.0	-121.30	370.06	7.40	-113.90
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2COC)C=C1)C(=O)[O-]	REAL300000424756	1	47	-2.0	-123.23	395.07	7.91	-115.32
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)O2)C=C1)C(=O)[O-]	REAL300000424758	0	40	-2.0	-112.58	351.62	6.64	-105.94
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)S2)C=C1)C(=O)[O-]	REAL300000424759	0	43	-2.0	-124.69	382.11	8.29	-116.40
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1)C(=O)[O-]	REAL300000424760	1	43	-2.0	-119.37	374.48	6.52	-112.85
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)C=C1)C(=O)[O-]	REAL300000424761	0	48	-2.0	-138.27	392.26	9.34	-128.93
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1)C(=O)[O-]	REAL300000424762	0	42	-2.0	-109.52	381.19	8.55	-100.97
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300000424763	1	40	-2.0	-114.34	371.57	8.44	-105.90
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)OC)=C2)C=C1)C(=O)[O-]	REAL300000424764	0	46	-2.0	-116.85	406.30	7.43	-109.42
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300000424765	0	39	-2.0	-113.75	358.83	6.52	-107.23
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C)=N2)C=C1)C(=O)[O-]	REAL300000424766	0	46	-2.0	-132.25	393.98	7.66	-124.59
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000424767	0	43	-2.0	-125.84	383.01	9.11	-116.73
CCC(CC1=CC=C(NS(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424768	0	47	-2.0	-108.80	409.83	8.44	-100.36
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424768	1	46	-3.0	-189.96	403.55	8.61	-181.35
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CO2)C=C1)C(=O)[O-]	REAL300000424769	0	43	-2.0	-111.89	386.91	6.56	-105.33
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(CC(CC)C(=O)[O-])C=C1	REAL300000424770	0	52	-2.0	-122.02	423.22	8.39	-113.63
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000424771	0	40	-2.0	-128.44	364.51	8.65	-119.79
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)C=C1)C(=O)[O-]	REAL300000424772	0	42	-2.0	-122.08	376.96	7.14	-114.94
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2OC)C=C1)C(=O)[O-]	REAL300000424773	0	45	-2.0	-122.20	397.48	8.06	-114.14
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)S1	REAL300000424774	0	42	-2.0	-118.61	378.48	6.46	-112.15
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)S2)C=C1)C(=O)[O-]	REAL300000424775	0	42	-2.0	-116.09	385.20	8.16	-107.93
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(OC)=C2)C=C1)C(=O)[O-]	REAL300000424776	0	43	-2.0	-103.46	387.87	5.78	-97.68
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2C)C=C1)C(=O)[O-]	REAL300000424777	1	47	-2.0	-119.29	398.53	7.97	-111.32
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C=C1)C(=O)[O-]	REAL300000424778	0	41	-2.0	-115.57	380.99	8.78	-106.79
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1)C(=O)[O-]	REAL300000424779	0	43	-2.0	-133.50	375.04	8.14	-125.36
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(=O)OC)=C2)C=C1)C(=O)[O-]	REAL300000424780	0	45	-2.0	-118.27	397.04	6.69	-111.58
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C=C2OC)C=C1)C(=O)[O-]	REAL300000424781	0	50	-2.0	-131.51	410.62	9.58	-121.93
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)C=C1)C(=O)[O-]	REAL300000424785	0	40	-2.0	-116.87	377.42	8.09	-108.78
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1)C(=O)[O-]	REAL300000424786	1	43	-2.0	-114.45	380.57	8.74	-105.71
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1)C(=O)[O-]	REAL300000424787	0	43	-2.0	-117.98	386.36	6.75	-111.23
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2SC)C=C1)C(=O)[O-]	REAL300000424788	1	44	-2.0	-131.60	384.56	8.94	-122.66
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)C)C=C1)C(=O)[O-]	REAL300000424789	1	49	-2.0	-127.93	402.49	9.87	-118.06
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(OC)=C2)C=C1)C(=O)[O-]	REAL300000424790	1	44	-2.0	-115.50	382.78	7.19	-108.31
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1)C(=O)[O-]	REAL300000424791	0	39	-2.0	-118.89	361.08	8.26	-110.63
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1)C(=O)[O-]	REAL300000424792	0	37	-2.0	-111.72	331.07	5.86	-105.86
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C)C=C1)C(=O)[O-]	REAL300000424793	0	39	-2.0	-100.17	342.85	4.27	-95.90
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C=C1)C(=O)[O-]	REAL300000424794	1	45	-2.0	-116.43	391.42	6.95	-109.48
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424795	0	39	-2.0	-103.53	369.56	7.63	-95.90
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1)C(=O)[O-]	REAL300000424796	0	44	-2.0	-124.37	376.43	7.30	-117.07
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000424797	0	41	-2.0	-119.27	381.01	8.78	-110.49
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(CC)C(=O)[O-])C=C1	REAL300000424798	1	46	-2.0	-123.37	377.35	9.54	-113.83
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(OC)C=CC=C2OC)C=C1)C(=O)[O-]	REAL300000424799	0	48	-2.0	-138.69	402.41	8.37	-130.32
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2F)C=C1)C(=O)[O-]	REAL300000424801	0	43	-2.0	-126.93	360.18	8.57	-118.36
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C=C1)C(=O)[O-]	REAL300000424802	0	44	-2.0	-137.91	385.49	7.89	-130.02
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)C=C1)C(=O)[O-]	REAL300000424803	0	48	-2.0	-141.63	406.33	9.04	-132.59
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1)C(=O)[O-]	REAL300000424805	0	41	-2.0	-131.23	373.21	6.16	-125.07
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(OC)=C2)C=C1)C(=O)[O-]	REAL300000424806	0	43	-2.0	-119.54	371.65	5.29	-114.25
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2C)OCO3)C=C1)C(=O)[O-]	REAL300000424807	1	46	-2.0	-119.76	389.92	7.29	-112.47
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(NC(C)=O)S2)C=C1)C(=O)[O-]	REAL300000424810	0	43	-2.0	-125.11	392.05	5.32	-119.79
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)C=C1)C(=O)[O-]	REAL300000424810	1	42	-3.0	-185.55	390.13	4.24	-181.31
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C=C1)C(=O)[O-]	REAL300000424811	1	44	-2.0	-124.77	381.30	9.12	-115.65
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C=C1)C(=O)[O-]	REAL300000424812	1	44	-2.0	-130.08	389.34	8.98	-121.10
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)ON=C2N)C=C1)C(=O)[O-]	REAL300000424814	0	41	-2.0	-112.14	355.98	5.23	-106.91
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC)C=C1)C(=O)[O-]	REAL300000424815	0	44	-2.0	-127.45	393.45	8.19	-119.26
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300000424816	0	41	-2.0	-118.61	374.57	6.60	-112.01
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2C)C=C1)C(=O)[O-]	REAL300000424818	1	47	-2.0	-126.00	392.07	7.90	-118.10
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C=C1)C(=O)[O-]	REAL300000424820	0	38	-2.0	-113.91	360.93	7.41	-106.50
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2)C=C1)C(=O)[O-]	REAL300000424821	0	42	-2.0	-121.17	365.06	6.68	-114.49
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1)C(=O)[O-]	REAL300000424822	0	45	-2.0	-123.24	388.28	8.19	-115.05
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)C=C1)C(=O)[O-]	REAL300000424823	1	44	-2.0	-115.50	388.41	8.76	-106.74
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1)C(=O)[O-]	REAL300000424824	0	39	-2.0	-99.46	366.13	6.55	-92.91
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C=C2F)C=C1)C(=O)[O-]	REAL300000424826	0	44	-2.0	-125.45	382.09	7.19	-118.26
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1)C(=O)[O-]	REAL300000424828	1	43	-2.0	-121.49	382.60	8.79	-112.70
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=NN2C)C=C1)C(=O)[O-]	REAL300000424830	0	43	-2.0	-114.44	362.93	6.34	-108.10
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C=C1)C(=O)[O-]	REAL300000424832	0	38	-2.0	-104.33	352.31	6.41	-97.92
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1)C(=O)[O-]	REAL300000424833	0	37	-2.0	-119.79	338.17	6.73	-113.06
CCC(CC1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1)C(=O)[O-]	REAL300000424834	0	37	-2.0	-119.52	329.61	5.70	-113.82
CCC(CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1)C(=O)[O-]	REAL300000424835	0	46	-2.0	-109.78	385.31	8.62	-101.16
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)N=C2)C=C1)C(=O)[O-]	REAL300000424836	1	43	-2.0	-106.86	375.57	4.55	-102.31
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1)C(=O)[O-]	REAL300000424837	0	40	-2.0	-123.45	370.70	8.46	-114.99
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(CC(CC)C(=O)[O-])C=C1	REAL300000424838	1	51	-2.0	-123.40	418.90	8.91	-114.49
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1)C(=O)[O-]	REAL300000424839	0	43	-2.0	-125.88	383.66	9.18	-116.70
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1)C(=O)[O-]	REAL300000424840	0	43	-2.0	-129.59	375.04	6.50	-123.09
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)=C1	REAL300000424841	1	47	-2.0	-125.62	398.43	8.04	-117.58
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)C=C1)C(=O)[O-]	REAL300000424843	1	49	-2.0	-126.59	414.38	10.75	-115.84
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1)C(=O)[O-]	REAL300000424844	0	37	-2.0	-123.54	355.05	7.27	-116.27
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CS2)C=C1)C(=O)[O-]	REAL300000424845	0	40	-2.0	-122.15	360.68	7.49	-114.66
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1)C(=O)[O-]	REAL300000424846	0	37	-2.0	-117.66	345.36	4.63	-113.03
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1)C(=O)[O-]	REAL300000424847	0	39	-2.0	-116.83	353.97	5.93	-110.90
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)C=C1)C(=O)[O-]	REAL300000424848	0	49	-2.0	-115.91	404.43	6.63	-109.28
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C=C1)C(=O)[O-]	REAL300000424849	0	49	-2.0	-116.19	416.24	6.37	-109.82
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1)C(=O)[O-]	REAL300000424851	0	43	-2.0	-118.91	383.26	8.29	-110.62
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2C(=O)OC)C=C1)C(=O)[O-]	REAL300000424852	0	45	-2.0	-133.60	389.53	7.47	-126.13
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NS2)C=C1)C(=O)[O-]	REAL300000424853	0	39	-2.0	-115.89	356.96	6.17	-109.72
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1)C(=O)[O-]	REAL300000424856	1	47	-2.0	-124.04	397.70	9.98	-114.06
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1)C(=O)[O-]	REAL300000424857	0	37	-2.0	-126.96	346.72	6.90	-120.06
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C=C1)C(=O)[O-]	REAL300000424858	1	41	-2.0	-111.65	375.15	8.30	-103.35
CCC(CC1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1)C(=O)[O-]	REAL300000424862	0	37	-2.0	-114.55	328.65	4.40	-110.15
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1)C(=O)[O-]	REAL300000424863	0	45	-2.0	-128.58	384.06	4.73	-123.85
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)S2)C=C1)C(=O)[O-]	REAL300000424864	0	43	-2.0	-126.11	379.88	8.40	-117.71
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000424865	0	41	-2.0	-110.57	371.83	6.71	-103.86
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)C=C1)C(=O)[O-]	REAL300000424866	0	42	-2.0	-113.25	375.99	7.25	-106.00
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2)C=C1)C(=O)[O-]	REAL300000424870	0	43	-2.0	-120.78	367.74	6.06	-114.72
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)C=C1	REAL300000424871	1	44	-2.0	-124.65	379.51	8.95	-115.70
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C)C=C1)C(=O)[O-]	REAL300000424872	0	43	-2.0	-121.05	371.85	6.23	-114.82
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=C1)C(=O)[O-]	REAL300000424873	0	40	-2.0	-112.67	364.31	6.46	-106.21
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1)C(=O)[O-]	REAL300000424876	0	40	-2.0	-118.44	362.78	5.35	-113.09
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(OC)=C2)C=C1)C(=O)[O-]	REAL300000424878	1	44	-2.0	-116.69	393.95	7.72	-108.97
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C=C1)C(=O)[O-]	REAL300000424879	0	44	-2.0	-133.11	398.70	4.46	-128.65
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1)C(=O)[O-]	REAL300000424880	0	42	-3.0	-199.79	379.19	8.42	-191.37
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1)C(=O)[O-]	REAL300000424881	0	42	-2.0	-135.72	379.62	7.28	-128.44
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1)C(=O)[O-]	REAL300000424882	1	45	-2.0	-125.89	382.87	7.66	-118.23
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000424884	0	43	-2.0	-122.63	367.59	9.10	-113.53
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1)C(=O)[O-]	REAL300000424885	0	45	-2.0	-134.72	383.41	7.64	-127.08
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)C=C1)C(=O)[O-]	REAL300000424890	0	43	-2.0	-131.10	376.97	8.77	-122.33
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C=C1)C(=O)[O-]	REAL300000424891	1	45	-2.0	-121.24	392.29	6.32	-114.92
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC)C=C1)C(=O)[O-]	REAL300000424893	0	44	-2.0	-127.60	383.13	7.73	-119.87
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(OC)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000424895	0	43	-2.0	-112.44	391.68	5.09	-107.35
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CON=C2C)C=C1)C(=O)[O-]	REAL300000424896	0	39	-2.0	-112.60	345.42	5.82	-106.78
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C=C1)C(=O)[O-]	REAL300000424897	1	43	-2.0	-118.25	383.89	8.96	-109.29
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1)C(=O)[O-]	REAL300000424898	1	46	-2.0	-134.69	396.53	8.85	-125.84
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC(C)=C2)C=C1)C(=O)[O-]	REAL300000424899	0	42	-2.0	-131.20	383.02	9.06	-122.14
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1)C(=O)[O-]	REAL300000424901	0	39	-2.0	-125.70	347.57	6.00	-119.70
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1)C(=O)[O-]	REAL300000424904	0	39	-2.0	-112.83	349.85	6.01	-106.82
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C=C1)C(=O)[O-]	REAL300000424906	0	38	-2.0	-127.58	358.84	7.26	-120.32
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1)C(=O)[O-]	REAL300000424909	1	40	-2.0	-113.09	369.67	8.38	-104.71
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1)C(=O)[O-]	REAL300000424910	0	48	-2.0	-135.07	400.64	9.07	-126.00
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)C=C1)C(=O)[O-]	REAL300000424916	1	47	-2.0	-135.81	402.99	5.26	-130.55
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)OC)C=NN2C)C=C1)C(=O)[O-]	REAL300000424919	0	46	-2.0	-112.44	396.25	6.89	-105.55
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C)N2C)C=C1)C(=O)[O-]	REAL300000424921	0	43	-2.0	-122.17	370.04	6.78	-115.39
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)OC)O2)C=C1)C(=O)[O-]	REAL300000424924	0	46	-2.0	-117.35	404.51	7.19	-110.16
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1)C(=O)[O-]	REAL300000424925	0	43	-2.0	-119.50	388.21	7.37	-112.13
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1)C(=O)[O-]	REAL300000424926	0	39	-2.0	-117.94	365.80	6.46	-111.48
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)C=C1)C(=O)[O-]	REAL300000424928	0	43	-2.0	-126.52	380.54	8.65	-117.87
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)OC)C=CO2)C=C1)C(=O)[O-]	REAL300000424929	0	43	-2.0	-134.39	384.69	6.88	-127.51
CCC(CC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000424930	0	42	-2.0	-136.80	375.51	6.84	-129.96
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)C(C)=N1	REAL300000424931	0	52	-2.0	-120.96	436.36	8.62	-112.34
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1)C(=O)[O-]	REAL300000424932	0	41	-3.0	-180.06	371.70	6.50	-173.56
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)C=C1)C(=O)[O-]	REAL300000424933	0	44	-2.0	-124.03	379.90	7.97	-116.06
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C=C1)C(=O)[O-]	REAL300000424934	1	41	-2.0	-113.88	375.70	8.32	-105.56
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1)C(=O)[O-]	REAL300000424935	0	42	-2.0	-135.51	370.24	7.01	-128.50
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1)C(=O)[O-]	REAL300000424935	1	42	-2.0	-121.06	371.71	6.90	-114.16
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1)C(=O)[O-]	REAL300000424936	0	44	-2.0	-131.43	380.85	7.78	-123.65
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C=C1)C(=O)[O-]	REAL300000424937	0	50	-2.0	-110.13	408.01	7.95	-102.18
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C=C1)C(=O)[O-]	REAL300000424938	0	52	-2.0	-117.63	410.45	8.26	-109.37
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1)C(=O)[O-]	REAL300000424940	0	50	-2.0	-119.75	415.84	8.22	-111.53
CCC(CC1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1)C(=O)[O-]	REAL300000424942	0	41	-2.0	-97.90	362.32	6.52	-91.38
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1)C(=O)[O-]	REAL300000424942	1	41	-2.0	-122.48	363.29	5.58	-116.90
CCC(CC1=CC=C([N-]S(=O)(=O)C2=NNC=C2C(=O)OC)C=C1)C(=O)[O-]	REAL300000424944	0	43	-2.0	-126.32	378.02	5.49	-120.83
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(CC(CC)C(=O)[O-])C=C1	REAL300000424945	0	46	-2.0	-120.95	389.95	6.97	-113.98
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)C=C1)C(=O)[O-]	REAL300000424946	1	45	-2.0	-120.91	394.37	8.39	-112.52
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C=C1)C(=O)[O-]	REAL300000424947	0	40	-2.0	-114.31	352.27	5.18	-109.13
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2C#N)C=C1)C(=O)[O-]	REAL300000424948	0	44	-2.0	-131.31	386.62	8.79	-122.52
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)C=C1)C(=O)[O-]	REAL300000424949	0	44	-2.0	-134.07	380.17	9.09	-124.98
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C=C1)C(=O)[O-]	REAL300000424951	1	47	-2.0	-127.37	412.17	9.81	-117.56
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=NS2)C=C1)C(=O)[O-]	REAL300000424953	0	40	-2.0	-112.06	367.71	3.67	-108.39
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1)C(=O)[O-]	REAL300000424955	0	36	-2.0	-115.58	335.18	5.57	-110.01
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)C=C1)C(=O)[O-]	REAL300000424958	0	44	-2.0	-121.06	387.97	3.48	-117.58
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(CC)C(=O)[O-])C=C1	REAL300000424959	1	49	-2.0	-124.68	400.19	10.37	-114.31
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1)C(=O)[O-]	REAL300000424960	0	40	-2.0	-129.91	363.16	7.98	-121.93
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1)C(=O)[O-]	REAL300000424962	1	45	-2.0	-133.69	384.71	8.38	-125.31
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CN2C)C=C1)C(=O)[O-]	REAL300000424963	0	47	-2.0	-124.96	409.87	8.07	-116.89
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C=C1)C(=O)[O-]	REAL300000424964	0	41	-2.0	-125.83	372.91	8.25	-117.58
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=N2)C=C1)C(=O)[O-]	REAL300000424965	0	39	-2.0	-122.61	347.24	4.19	-118.42
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1)C(=O)[O-]	REAL300000424966	0	47	-2.0	-110.74	398.28	7.54	-103.20
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1)C(=O)[O-]	REAL300000424967	0	47	-2.0	-119.36	396.90	7.68	-111.68
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1)C(=O)[O-]	REAL300000424968	0	50	-2.0	-117.01	417.86	8.49	-108.52
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(OC)C(F)=C2)C=C1)C(=O)[O-]	REAL300000424969	1	44	-2.0	-111.49	392.94	7.37	-104.12
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1)C(=O)[O-]	REAL300000424970	0	47	-2.0	-121.74	389.98	7.88	-113.86
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(OC)C=C2F)C=C1)C(=O)[O-]	REAL300000424971	0	44	-2.0	-120.80	389.65	7.31	-113.49
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)SC=C2C)C=C1)C(=O)[O-]	REAL300000424972	0	43	-2.0	-119.42	371.86	8.56	-110.86
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C=C1)C(=O)[O-]	REAL300000424973	0	48	-2.0	-136.18	404.29	8.40	-127.78
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C=C1)C(=O)[O-]	REAL300000424974	0	48	-2.0	-119.85	417.10	7.52	-112.33
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C=C1)C(=O)[O-]	REAL300000424975	1	48	-2.0	-125.33	416.73	10.08	-115.25
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC(F)=C2OC)C=C1)C(=O)[O-]	REAL300000424976	0	44	-2.0	-126.39	387.06	8.44	-117.95
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1)C(=O)[O-]	REAL300000424977	0	37	-2.0	-120.53	352.49	7.25	-113.28
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)C=C1)C(=O)[O-]	REAL300000424978	0	45	-2.0	-137.46	388.81	7.41	-130.05
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=NN2CC)C=C1)C(=O)[O-]	REAL300000424979	0	42	-2.0	-110.33	361.79	5.08	-105.25
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1)C(=O)[O-]	REAL300000424981	1	41	-2.0	-110.97	363.32	6.65	-104.32
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1)C(=O)[O-]	REAL300000424982	0	43	-2.0	-125.49	385.96	9.25	-116.24
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C=C1)C(=O)[O-]	REAL300000424983	0	47	-2.0	-114.94	398.04	7.59	-107.35
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)C=C1)C(=O)[O-]	REAL300000424985	0	48	-2.0	-129.26	402.90	7.75	-121.51
CCC(CC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1)C(=O)[O-]	REAL300000424986	0	43	-2.0	-125.70	376.88	8.10	-117.60
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C=C1)C(=O)[O-]	REAL300000424987	0	47	-2.0	-123.83	404.21	7.70	-116.13
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1)C(=O)[O-]	REAL300000424989	0	43	-2.0	-131.75	377.89	7.09	-124.66
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C=C1)C(=O)[O-]	REAL300000424990	0	45	-2.0	-142.17	391.61	6.22	-135.95
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C=C1)C(=O)[O-]	REAL300000424991	0	47	-2.0	-124.51	388.01	9.74	-114.77
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)C=C1)C(=O)[O-]	REAL300000424992	1	44	-2.0	-122.22	375.11	5.53	-116.69
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CSN=C2OC)C=C1)C(=O)[O-]	REAL300000424993	0	40	-2.0	-120.37	365.73	3.73	-116.64
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)NC=N2)C=C1)C(=O)[O-]	REAL300000424994	0	40	-2.0	-131.30	346.49	5.98	-125.32
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1)C(=O)[O-]	REAL300000424996	1	43	-2.0	-121.10	380.81	8.21	-112.89
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C=C1)C(=O)[O-]	REAL300000424997	0	50	-2.0	-124.25	418.62	8.23	-116.02
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1)C(=O)[O-]	REAL300000424998	0	37	-2.0	-120.09	352.90	7.35	-112.74
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1)C(=O)[O-]	REAL300000424999	0	50	-2.0	-111.99	421.00	8.46	-103.53
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1)C(=O)[O-]	REAL300000425000	0	44	-2.0	-127.86	385.19	9.05	-118.81
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)=C1	REAL300000425001	1	49	-2.0	-115.72	412.78	10.08	-105.64
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=NN2C)C=C1)C(=O)[O-]	REAL300000425002	0	46	-2.0	-113.64	403.38	6.16	-107.48
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C=C1)C(=O)[O-]	REAL300000425003	0	41	-2.0	-126.71	372.98	8.23	-118.48
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C=C1)C(=O)[O-]	REAL300000425004	0	47	-2.0	-111.00	392.74	7.35	-103.65
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C=C1)C(=O)[O-]	REAL300000425007	0	49	-2.0	-114.15	394.23	7.72	-106.43
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C=C1)C(=O)[O-]	REAL300000425008	0	49	-2.0	-112.12	411.52	7.53	-104.59
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1)C(=O)[O-]	REAL300000425009	0	47	-2.0	-121.06	395.65	6.91	-114.15
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C=C1)C(=O)[O-]	REAL300000425010	0	51	-2.0	-110.48	422.66	8.67	-101.81
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1)C(=O)[O-]	REAL300000425011	1	43	-2.0	-123.56	375.04	8.64	-114.92
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NN2C)C=C1)C(=O)[O-]	REAL300000425012	0	43	-2.0	-115.27	370.64	6.09	-109.18
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C)C=C1)C(=O)[O-]	REAL300000425014	1	46	-2.0	-125.18	380.31	9.15	-116.03
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1)C(=O)[O-]	REAL300000425015	0	43	-2.0	-133.98	368.05	9.11	-124.87
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C=C1)C(=O)[O-]	REAL300000425017	0	41	-2.0	-122.21	379.69	8.67	-113.54
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1)C(=O)[O-]	REAL300000425018	1	47	-2.0	-125.34	396.30	9.92	-115.42
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(OC)SC=C2)C=C1)C(=O)[O-]	REAL300000425019	0	41	-2.0	-127.76	369.38	6.27	-121.49
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1)C(=O)[O-]	REAL300000425020	0	47	-2.0	-127.45	403.14	10.03	-117.42
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1)C(=O)[O-]	REAL300000425021	0	50	-2.0	-117.69	413.21	8.47	-109.22
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(CC(CC)C(=O)[O-])C=C1	REAL300000425022	0	49	-2.0	-116.71	407.05	7.71	-109.00
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C=C1)C(=O)[O-]	REAL300000425024	0	45	-2.0	-133.82	392.06	6.23	-127.59
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)O1	REAL300000425025	0	43	-2.0	-112.76	374.47	7.46	-105.30
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1)C(=O)[O-]	REAL300000425026	0	40	-2.0	-105.21	372.25	7.09	-98.12
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2OC)C=C1)C(=O)[O-]	REAL300000425027	0	44	-2.0	-118.86	388.04	7.74	-111.12
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C=C1)C(=O)[O-]	REAL300000425028	1	46	-2.0	-122.41	400.30	9.35	-113.06
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1)C(=O)[O-]	REAL300000425029	1	44	-2.0	-122.54	386.32	7.40	-115.14
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)S2)C=C1)C(=O)[O-]	REAL300000425030	0	41	-2.0	-120.01	372.26	6.32	-113.69
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1)C(=O)[O-]	REAL300000425031	0	43	-2.0	-117.60	379.74	6.53	-111.07
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)=C1	REAL300000425032	1	50	-2.0	-116.42	425.31	8.56	-107.86
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1)C(=O)[O-]	REAL300000425033	1	43	-2.0	-126.25	370.11	8.80	-117.45
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1)C(=O)[O-]	REAL300000425034	0	43	-2.0	-127.74	375.42	8.21	-119.53
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1)C(=O)[O-]	REAL300000425035	1	42	-2.0	-124.27	379.38	7.26	-117.01
CCC(CC1=CC=C([N-]S(=O)(=O)C2=NN(CC)N=C2)C=C1)C(=O)[O-]	REAL300000425036	0	42	-2.0	-120.28	369.15	4.72	-115.56
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(CC)N=C2)C=C1)C(=O)[O-]	REAL300000425037	0	43	-2.0	-117.55	390.13	6.79	-110.76
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1)C(=O)[O-]	REAL300000425038	0	37	-2.0	-106.18	346.77	6.44	-99.74
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300000425039	1	49	-2.0	-134.17	405.86	10.67	-123.50
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1)C(=O)[O-]	REAL300000425042	0	44	-2.0	-123.78	390.90	9.14	-114.64
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CO2)C=C1)C(=O)[O-]	REAL300000425043	0	40	-2.0	-112.17	352.97	6.53	-105.64
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)=NN1	REAL300000425044	0	46	-2.0	-119.94	407.27	5.63	-114.31
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(OC)C(OC)=CS2)C=C1)C(=O)[O-]	REAL300000425045	0	45	-2.0	-125.73	401.40	5.88	-119.85
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000425046	0	39	-2.0	-99.03	364.65	6.46	-92.57
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C=C1)C(=O)[O-]	REAL300000425047	0	46	-2.0	-120.68	392.85	7.80	-112.88
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C=C1)C(=O)[O-]	REAL300000425048	1	47	-2.0	-130.43	400.78	9.59	-120.84
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C=C1)C(=O)[O-]	REAL300000425049	0	40	-2.0	-116.83	366.99	5.87	-110.96
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C=C1)C(=O)[O-]	REAL300000425050	0	46	-2.0	-137.43	386.31	9.71	-127.72
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C=C1)C(=O)[O-]	REAL300000425051	0	38	-2.0	-122.19	348.93	6.27	-115.92
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)C=C1)C(=O)[O-]	REAL300000425052	0	42	-2.0	-113.35	376.19	7.26	-106.09
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CC)N=C2C2CC2)C=C1)C(=O)[O-]	REAL300000425053	0	50	-2.0	-124.52	425.28	8.64	-115.88
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1)C(=O)[O-]	REAL300000425056	0	37	-2.0	-119.27	347.21	6.36	-112.91
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1)C(=O)[O-]	REAL300000425057	0	37	-2.0	-116.26	355.92	7.34	-108.92
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C=C1)C(=O)[O-]	REAL300000425058	0	48	-2.0	-116.73	400.73	5.61	-111.12
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1)C(=O)[O-]	REAL300000425059	1	47	-2.0	-128.81	390.63	9.99	-118.82
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)N=C2C)C=C1)C(=O)[O-]	REAL300000425061	1	46	-2.0	-116.14	391.28	5.31	-110.83
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)C=C1)C(=O)[O-]	REAL300000425062	0	46	-2.0	-127.79	394.50	5.65	-122.14
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2OC)C=C1)C(=O)[O-]	REAL300000425063	0	43	-2.0	-121.23	391.16	5.56	-115.67
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)C=C1)C(=O)[O-]	REAL300000425064	1	46	-2.0	-108.29	395.71	5.28	-103.01
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C=C1)C(=O)[O-]	REAL300000425065	0	49	-2.0	-120.96	415.84	7.96	-113.00
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)C=C1)C(=O)[O-]	REAL300000425066	0	49	-2.0	-121.27	410.68	7.56	-113.71
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C=C1)C(=O)[O-]	REAL300000425067	0	38	-2.0	-123.19	351.44	6.26	-116.93
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C=C1)C(=O)[O-]	REAL300000425068	0	38	-2.0	-128.02	359.12	7.15	-120.87
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C=C1)C(=O)[O-]	REAL300000425069	0	46	-2.0	-116.07	388.79	7.09	-108.98
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1)C(=O)[O-]	REAL300000425070	0	47	-2.0	-115.54	400.66	7.98	-107.56
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300000425071	0	47	-2.0	-127.04	404.68	8.88	-118.16
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)C=C1)C(=O)[O-]	REAL300000425073	0	49	-2.0	-121.33	410.19	7.62	-113.71
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1)C(=O)[O-]	REAL300000425074	0	42	-2.0	-117.48	375.77	6.88	-110.60
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1)C(=O)[O-]	REAL300000425076	1	41	-2.0	-123.75	358.10	4.96	-118.79
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1)C(=O)[O-]	REAL300000425077	0	36	-2.0	-113.10	332.73	5.42	-107.68
CCC(CC1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1)C(=O)[O-]	REAL300000425078	0	44	-2.0	-134.23	396.30	7.13	-127.10
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CC=C2C(=O)OC)C=C1)C(=O)[O-]	REAL300000425079	0	45	-2.0	-131.86	389.23	7.45	-124.41
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C=C1)C(=O)[O-]	REAL300000425080	0	48	-2.0	-142.22	406.17	9.03	-133.19
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC(CC)C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000425081	0	45	-3.0	-183.82	399.05	8.42	-175.40
CCC1=C(S(=O)(=O)NC2=CC=C(CC(CC)C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000425081	1	46	-2.0	-125.82	401.76	7.86	-117.96
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)C=C1)C(=O)[O-]	REAL300000425082	0	40	-2.0	-115.97	372.38	8.22	-107.75
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1)C(=O)[O-]	REAL300000425083	0	36	-2.0	-117.45	333.65	4.94	-112.51
CCC(CC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1)C(=O)[O-]	REAL300000425084	0	47	-2.0	-122.60	392.83	7.14	-115.46
CCC(CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C=C1)C(=O)[O-]	REAL300000425085	0	43	-2.0	-129.32	374.02	8.55	-120.77
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000425086	0	41	-2.0	-84.81	364.70	4.11	-80.70
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000425087	0	34	-2.0	-100.68	313.49	5.50	-95.18
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1C	REAL300000425088	0	42	-2.0	-102.03	368.58	6.55	-95.48
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000425089	0	34	-2.0	-90.82	308.94	5.48	-85.34
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000425090	0	34	-2.0	-102.73	308.95	5.48	-97.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1C	REAL300000425091	0	38	-2.0	-108.30	337.10	5.25	-103.05
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000425092	0	38	-2.0	-90.60	339.70	6.81	-83.79
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000425093	0	37	-2.0	-103.82	324.15	6.05	-97.77
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000425094	0	34	-2.0	-98.53	322.03	6.04	-92.49
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000425095	0	34	-2.0	-98.96	321.47	5.87	-93.09
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000425096	0	34	-2.0	-94.33	334.52	6.40	-87.93
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000425097	0	40	-2.0	-106.02	341.64	6.82	-99.20
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000425098	0	34	-2.0	-99.96	314.43	5.54	-94.42
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000425099	0	40	-2.0	-90.00	352.53	7.05	-82.95
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000425100	0	31	-2.0	-97.22	302.14	4.50	-92.72
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000425101	0	37	-2.0	-103.93	324.39	6.25	-97.68
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000425102	0	38	-2.0	-89.27	339.31	5.80	-83.47
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000425103	0	35	-2.0	-101.25	315.59	4.82	-96.43
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000425104	0	38	-2.0	-104.87	333.91	4.25	-100.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2C)=C1	REAL300000425105	0	34	-2.0	-93.53	318.07	5.14	-88.39
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000425106	0	40	-2.0	-105.39	339.85	6.84	-98.55
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000425107	0	31	-2.0	-98.59	299.89	4.53	-94.06
COC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2C)=CC(C(=O)[O-])=C1OC	REAL300000425108	0	42	-2.0	-103.41	367.27	5.29	-98.12
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2C)C=C1C(=O)[O-]	REAL300000425109	0	38	-2.0	-108.83	336.25	5.54	-103.29
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000425110	0	44	-2.0	-107.74	364.19	8.10	-99.64
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000425111	0	43	-2.0	-106.05	362.86	7.47	-98.58
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1C	REAL300000425112	0	40	-2.0	-102.26	338.36	7.23	-95.03
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1C	REAL300000425113	0	41	-2.0	-108.03	359.39	6.02	-102.01
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000425114	0	36	-3.0	-176.30	336.72	6.06	-170.24
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000425115	0	41	-2.0	-108.35	353.95	7.34	-101.01
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000425116	0	34	-2.0	-97.11	311.10	4.65	-92.46
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000425117	0	40	-2.0	-107.69	351.13	5.25	-102.44
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000425118	0	38	-2.0	-103.69	338.69	4.52	-99.17
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000425119	0	42	-2.0	-89.79	361.88	6.06	-83.73
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000425120	0	34	-2.0	-92.80	336.64	6.32	-86.48
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000425121	0	34	-2.0	-95.57	326.55	6.04	-89.53
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000425122	0	38	-2.0	-88.09	356.06	6.28	-81.81
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000425123	0	41	-2.0	-89.90	360.10	6.45	-83.45
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000425124	0	44	-2.0	-89.10	388.70	6.71	-82.39
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000425125	0	37	-2.0	-94.71	329.67	6.28	-88.43
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000425126	0	47	-2.0	-90.10	402.56	7.39	-82.71
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000425127	0	38	-2.0	-89.13	346.25	5.81	-83.32
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2C)C=C1C(=O)[O-]	REAL300000425128	0	41	-2.0	-109.49	358.10	6.44	-103.05
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000425129	0	34	-2.0	-100.38	318.65	5.35	-95.03
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000425130	0	34	-2.0	-93.02	337.92	6.44	-86.58
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000425131	0	34	-2.0	-88.49	322.01	6.03	-82.46
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000425132	0	34	-2.0	-90.45	313.47	5.52	-84.93
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000425133	0	31	-2.0	-92.28	300.52	4.64	-87.64
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000425134	0	34	-2.0	-93.86	315.35	5.53	-88.33
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000425135	0	37	-2.0	-101.38	334.73	6.16	-95.22
COC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000425136	0	38	-2.0	-93.10	348.56	6.12	-86.98
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000425137	0	34	-2.0	-90.18	314.42	5.55	-84.63
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000425138	0	34	-2.0	-88.45	321.44	5.87	-82.58
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000425139	0	37	-2.0	-96.37	338.40	6.68	-89.69
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000425140	0	42	-2.0	-87.64	372.69	6.89	-80.75
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000425141	0	34	-2.0	-92.40	319.78	5.56	-86.84
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000425142	0	36	-2.0	-88.21	337.15	6.14	-82.07
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000425143	0	34	-3.0	-195.97	315.11	4.05	-191.92
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000425143	1	35	-2.0	-102.80	318.67	3.16	-99.64
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000425144	0	37	-2.0	-94.37	331.14	6.24	-88.13
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000425145	0	34	-2.0	-93.85	329.67	6.01	-87.84
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000425146	0	37	-2.0	-98.83	319.15	6.10	-92.73
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000425147	0	37	-2.0	-101.87	333.80	6.11	-95.76
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000425148	0	37	-2.0	-91.16	324.37	6.24	-84.92
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000425149	0	40	-2.0	-105.63	340.94	6.58	-99.05
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000425150	0	36	-2.0	-101.48	334.69	6.61	-94.87
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000425151	0	34	-2.0	-92.17	321.46	5.56	-86.61
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000425152	0	40	-2.0	-103.03	342.18	6.92	-96.11
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000425153	0	37	-2.0	-101.11	330.54	6.07	-95.04
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=C(Cl)C(C)=CC(C(=O)[O-])=C1	REAL300000425154	0	37	-2.0	-100.31	340.70	6.60	-93.71
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000425155	0	37	-2.0	-107.26	333.99	6.16	-101.10
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2C)C=C1C(=O)[O-]	REAL300000425156	0	40	-2.0	-104.50	342.31	6.68	-97.82
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2C)C=C1CC(=O)[O-]	REAL300000425157	0	41	-2.0	-104.75	359.42	5.60	-99.15
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000425158	0	37	-2.0	-92.21	334.33	6.70	-85.51
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000425159	0	37	-2.0	-87.53	339.07	6.27	-81.26
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C(C)=C1	REAL300000425160	0	37	-2.0	-100.53	340.19	6.42	-94.11
CCN1C=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2C)C=C1C(=O)[O-]	REAL300000425161	0	38	-2.0	-102.48	336.97	5.70	-96.78
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000425162	0	34	-2.0	-90.81	334.56	6.02	-84.79
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000425163	0	37	-2.0	-97.34	343.43	6.51	-90.83
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000425164	0	43	-2.0	-99.87	357.62	7.69	-92.18
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2C)C=C1C(=O)[O-]	REAL300000425165	0	38	-2.0	-104.21	349.28	6.09	-98.12
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000425166	0	37	-2.0	-90.78	324.15	6.05	-84.73
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000425167	0	39	-2.0	-95.06	351.71	7.66	-87.40
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000425168	0	37	-2.0	-101.83	328.49	6.30	-95.53
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000425169	0	36	-2.0	-109.36	332.69	7.32	-102.04
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000425170	0	34	-2.0	-106.57	312.62	5.50	-101.07
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000425171	0	37	-2.0	-95.70	334.79	6.11	-89.59
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000425172	0	40	-2.0	-110.94	349.73	7.60	-103.34
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000425173	0	33	-2.0	-100.12	305.94	3.52	-96.60
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1C	REAL300000425174	0	38	-2.0	-94.98	337.16	5.26	-89.72
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000425175	0	31	-2.0	-90.99	308.40	4.49	-86.50
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000425176	0	41	-2.0	-97.13	354.37	7.39	-89.74
CC1=NOC(C2CC2)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000425177	0	41	-2.0	-100.17	354.41	7.35	-92.82
CCC1=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2C)C=C(C(=O)[O-])O1	REAL300000425178	0	37	-2.0	-97.11	330.38	5.51	-91.60
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(F)C=CC=C32)=CC(C(=O)[O-])=C1	REAL300000425207	0	35	-2.0	-107.53	327.83	7.61	-99.92
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=C(F)C=CC=C32)=C1	REAL300000425236	0	33	-2.0	-104.38	297.86	5.73	-98.65
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000425273	1	47	-2.0	-105.28	395.32	7.78	-97.50
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000425274	1	47	-2.0	-95.05	390.78	7.76	-87.29
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000425275	1	47	-2.0	-108.03	390.79	7.75	-100.28
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000425276	1	50	-2.0	-109.22	406.81	8.29	-100.93
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000425277	0	47	-2.0	-105.21	396.26	7.82	-97.39
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000425278	0	44	-2.0	-102.16	383.97	6.77	-95.39
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000425279	1	50	-2.0	-108.68	406.22	8.54	-100.14
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000425280	0	48	-2.0	-106.25	397.44	7.10	-99.15
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000425281	0	47	-2.0	-98.15	399.90	7.44	-90.71
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000425282	0	44	-2.0	-103.61	382.44	6.78	-96.83
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000425283	0	47	-2.0	-101.48	393.79	6.89	-94.59
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000425284	0	47	-2.0	-105.03	399.41	7.64	-97.39
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000425285	1	47	-2.0	-94.51	395.30	7.79	-86.72
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000425286	0	44	-2.0	-96.84	383.04	6.88	-89.96
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000425287	0	47	-2.0	-98.80	397.21	7.82	-90.98
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000425288	0	47	-2.0	-94.66	396.25	7.82	-86.84
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000425289	0	48	-2.0	-107.37	400.50	5.47	-101.90
CCC(C)(C)OCC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000425289	1	48	-2.0	-107.85	395.28	5.79	-102.06
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000425290	1	50	-2.0	-98.71	412.97	8.54	-90.17
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000425291	1	50	-2.0	-104.15	400.83	8.40	-95.75
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000425292	1	50	-2.0	-95.15	406.20	8.53	-86.62
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)CC)C=C1C(=O)[O-]	REAL300000425293	0	51	-2.0	-107.54	418.80	7.96	-99.58
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000425294	1	50	-2.0	-95.30	406.80	8.30	-87.00
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000425295	0	47	-2.0	-112.40	394.42	7.78	-104.62
CCC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000425296	0	46	-2.0	-105.83	387.00	5.87	-99.96
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)CC)C=C(C(=O)[O-])O1	REAL300000425297	0	50	-2.0	-101.28	412.83	7.73	-93.55
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000425298	1	43	-2.0	-106.36	385.05	7.74	-98.62
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000425300	1	43	-2.0	-108.67	380.57	7.71	-100.96
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000425302	0	43	-2.0	-106.27	385.98	7.76	-98.51
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000425303	0	40	-2.0	-103.11	373.69	6.71	-96.40
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000425304	1	46	-2.0	-110.08	395.94	8.48	-101.60
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000425305	1	44	-2.0	-107.35	387.16	7.06	-100.29
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000425306	0	43	-2.0	-98.97	389.64	7.39	-91.58
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000425307	0	40	-2.0	-104.15	372.17	6.74	-97.41
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000425308	0	43	-2.0	-102.65	383.58	6.84	-95.81
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000425309	1	43	-2.0	-106.45	389.11	7.59	-98.86
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000425310	1	43	-2.0	-95.59	385.05	7.75	-87.84
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000425311	0	40	-2.0	-97.50	372.84	6.84	-90.66
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000425312	1	43	-2.0	-99.65	386.92	7.77	-91.88
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000425313	0	43	-2.0	-95.17	386.02	7.78	-87.39
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000425314	0	44	-2.0	-109.06	390.22	5.41	-103.65
COC(=O)C(C)CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000425314	1	44	-2.0	-108.19	389.42	6.21	-101.98
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000425315	1	46	-2.0	-99.74	402.68	8.49	-91.25
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000425316	1	46	-2.0	-105.25	394.40	8.44	-96.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000425318	1	47	-2.0	-108.66	408.54	7.93	-100.73
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000425320	0	43	-2.0	-112.17	384.17	7.73	-104.44
COC(=O)C(C)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000425321	0	42	-2.0	-106.11	376.73	5.82	-100.29
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC(C)C(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000425322	0	46	-2.0	-103.00	402.65	7.69	-95.31
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000425328	0	34	-2.0	-93.28	322.58	6.00	-87.28
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000425340	0	41	-2.0	-98.90	374.81	5.66	-93.24
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000425341	0	34	-2.0	-99.62	322.13	6.87	-92.75
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000425346	0	42	-2.0	-114.27	364.62	8.07	-106.20
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000425354	0	34	-2.0	-100.89	317.66	6.91	-93.98
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000425360	0	34	-2.0	-115.20	318.40	7.06	-108.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000425384	0	38	-2.0	-117.92	333.15	6.76	-111.16
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000425385	0	38	-2.0	-102.92	349.80	8.37	-94.55
CC1=CC=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000425390	0	37	-2.0	-99.45	325.66	7.34	-92.11
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000425401	0	34	-2.0	-109.89	314.10	7.15	-102.74
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000425402	0	34	-2.0	-96.74	330.10	7.24	-89.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000425418	0	40	-2.0	-99.18	340.37	7.90	-91.28
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000425422	0	34	-2.0	-109.29	311.13	6.85	-102.44
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000425427	0	40	-2.0	-101.62	353.01	8.37	-93.25
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000425436	0	31	-2.0	-112.52	299.72	5.84	-106.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000425439	0	37	-2.0	-121.00	315.30	7.27	-113.73
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000425458	0	38	-2.0	-102.45	340.52	7.07	-95.38
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000425494	0	35	-2.0	-113.07	324.16	6.20	-106.87
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000425498	0	38	-2.0	-121.80	324.04	5.32	-116.48
CC1=C(C(=O)[O-])SC(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000425518	0	34	-2.0	-98.29	315.56	6.51	-91.78
CC1=CC(C)=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000425521	0	40	-2.0	-109.21	342.76	8.28	-100.93
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000425544	0	31	-2.0	-115.94	300.19	5.82	-110.12
COC1=CC(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=CC(C(=O)[O-])=C1OC	REAL300000425546	0	42	-2.0	-116.06	376.66	6.88	-109.18
COC1=CC=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000425549	0	38	-2.0	-104.15	344.88	6.91	-97.24
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000425557	0	44	-2.0	-110.09	367.03	9.56	-100.53
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000425558	0	43	-2.0	-120.68	353.40	8.36	-112.32
CC1=CC=C([O-])C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000425566	1	35	-2.0	-96.00	304.63	5.67	-90.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000425567	0	40	-2.0	-109.13	343.08	8.68	-100.45
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000425570	0	41	-2.0	-120.22	355.48	7.53	-112.69
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000425571	0	36	-3.0	-172.83	346.78	7.64	-165.19
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000425573	0	41	-2.0	-99.09	353.07	8.53	-90.56
CC1=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000425580	0	34	-2.0	-111.73	315.78	5.85	-105.88
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000425590	0	40	-2.0	-103.00	360.55	6.85	-96.15
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000425597	0	38	-2.0	-115.35	339.90	6.36	-108.99
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000425598	0	42	-2.0	-105.08	371.98	7.69	-97.39
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000425602	0	34	-2.0	-109.78	318.70	7.17	-102.61
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000425604	0	38	-2.0	-102.13	364.71	7.67	-94.46
CC1=CC(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=CC=C1OCC(=O)[O-]	REAL300000425613	0	41	-2.0	-99.26	369.54	8.06	-91.20
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000425623	0	37	-2.0	-93.98	328.76	7.40	-86.58
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000425626	0	38	-2.0	-104.33	354.88	7.19	-97.14
CCOC1=CC=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000425638	0	41	-2.0	-124.25	366.73	7.82	-116.43
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300000425648	1	37	-2.0	-97.74	340.64	3.26	-94.48
CC1=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C=C(C(=O)[O-])S1	REAL300000425662	0	34	-2.0	-97.84	318.47	6.58	-91.26
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000425710	0	34	-2.0	-100.08	319.15	7.48	-92.60
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000425711	0	34	-2.0	-104.04	322.11	6.88	-97.16
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000425722	0	31	-2.0	-97.07	309.48	5.97	-91.10
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000425724	0	34	-2.0	-93.56	324.75	7.14	-86.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=C1F	REAL300000425725	0	37	-2.0	-96.55	341.54	7.62	-88.93
COC1=CC(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000425727	0	38	-2.0	-104.89	346.38	7.55	-97.34
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000425729	0	34	-2.0	-96.70	319.16	6.81	-89.89
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000425730	0	34	-2.0	-100.32	330.09	7.25	-93.07
CC(=O)NC1=CC(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300000425739	1	39	-2.0	-103.41	343.38	3.20	-100.21
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000425742	0	37	-2.0	-94.43	337.44	7.79	-86.64
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000425748	0	42	-2.0	-101.93	381.43	8.31	-93.62
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000425751	0	34	-2.0	-108.73	329.17	7.17	-101.56
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000425752	0	36	-2.0	-102.80	346.53	7.74	-95.06
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000425765	0	34	-3.0	-176.57	311.16	5.56	-171.01
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000425765	1	35	-2.0	-117.49	312.20	4.81	-112.68
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000425768	0	37	-2.0	-102.20	331.62	7.57	-94.63
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000425797	0	34	-2.0	-109.01	339.05	7.61	-101.40
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000425805	0	37	-2.0	-100.42	310.30	7.11	-93.31
CC1=CC(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=CC(C(=O)[O-])=C1F	REAL300000425808	0	37	-2.0	-116.71	343.18	7.73	-108.98
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000425809	0	37	-2.0	-105.97	315.57	7.22	-98.75
CC1=CC(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=CC(C(=O)[O-])=C1C	REAL300000425816	0	40	-2.0	-97.76	351.11	8.15	-89.61
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000425819	0	36	-2.0	-104.10	344.04	7.94	-96.16
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000425822	0	34	-2.0	-92.43	327.53	7.05	-85.38
CC1=CC=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C(C)=C1C(=O)[O-]	REAL300000425829	0	40	-2.0	-104.39	334.16	7.87	-96.52
CC1=CC(F)=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000425831	0	37	-2.0	-109.49	327.25	7.39	-102.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=C1Cl	REAL300000425832	0	37	-2.0	-96.39	341.90	7.76	-88.63
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000425833	0	37	-2.0	-118.01	340.86	7.64	-110.37
CCC1=CC=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000425840	0	40	-2.0	-98.86	348.82	7.99	-90.87
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000425846	0	37	-2.0	-105.02	320.35	6.43	-98.59
COC1=CC=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C=C1CC(=O)[O-]	REAL300000425855	0	41	-2.0	-119.96	368.04	6.97	-112.99
COC1=CC=C([O-])C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000425857	1	36	-2.0	-97.34	312.27	4.26	-93.08
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000425875	0	37	-2.0	-104.17	335.03	7.69	-96.48
CC1=CC(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000425879	0	37	-2.0	-113.62	349.57	8.03	-105.59
CCN1C=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000425883	0	38	-2.0	-114.18	345.55	7.07	-107.11
CC1=CC(C)=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C(C)=C1CC(=O)[O-]	REAL300000425902	0	46	-2.0	-96.91	373.98	9.49	-87.42
CC1=C(Cl)C=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000425966	0	37	-2.0	-109.41	352.26	8.15	-101.26
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300000425972	1	34	-2.0	-95.51	330.60	2.67	-92.84
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000425977	0	43	-2.0	-108.33	364.11	8.85	-99.48
COC1=CC(Cl)=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000425999	0	38	-2.0	-116.14	341.41	7.22	-108.92
CC1=CC(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000426021	0	37	-2.0	-101.43	325.30	7.32	-94.11
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000426054	0	39	-2.0	-105.99	349.20	9.10	-96.89
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000426063	0	35	-2.0	-90.07	322.28	6.01	-84.06
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000426079	0	37	-2.0	-121.92	319.81	7.30	-114.62
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000426081	0	36	-2.0	-123.15	330.12	8.55	-114.60
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000426122	0	34	-2.0	-118.13	319.51	6.98	-111.15
CC1=C(F)C=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000426148	0	37	-2.0	-108.48	343.55	7.76	-100.72
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC([O-])=CC(C(F)(F)F)=C1	REAL300000426156	1	35	-2.0	-98.52	336.09	5.42	-93.10
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000426214	0	40	-2.0	-101.94	359.28	9.20	-92.74
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000426228	0	33	-2.0	-107.19	314.57	5.20	-101.99
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000426246	0	32	-2.0	-91.78	289.20	5.03	-86.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C1=CC=C(C(=O)[O-])C=C1	REAL300000426265	0	38	-2.0	-101.86	341.31	6.75	-95.11
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000426270	0	31	-2.0	-94.27	314.34	5.86	-88.41
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000426283	0	32	-2.0	-97.23	325.49	6.09	-91.14
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300000426284	0	36	-2.0	-93.95	335.47	6.51	-87.44
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000426424	1	37	-2.0	-97.04	347.12	4.13	-92.91
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)=N[N-]1	REAL300000426424	1	37	-2.0	-96.89	347.20	4.15	-92.74
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000426426	0	32	-2.0	-92.21	309.24	5.05	-87.16
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300000426443	1	40	-2.0	-97.17	362.43	4.07	-93.10
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000426476	0	41	-2.0	-100.36	362.88	8.71	-91.65
CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000426489	0	41	-2.0	-101.44	363.84	8.95	-92.49
CCC1=C(S(=O)(=O)N(C)C2=CC=C(C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000426505	0	37	-2.0	-106.55	335.30	6.82	-99.73
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)C(SCCC(=O)[O-])=C1	REAL300000426511	1	43	-2.0	-100.54	384.49	7.61	-92.93
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C(SCCC(=O)[O-])=C1	REAL300000426512	0	38	-2.0	-108.84	357.08	8.04	-100.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C(SCCC(=O)[O-])=C1	REAL300000426513	0	37	-2.0	-93.27	360.43	6.41	-86.86
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C(SCCC(=O)[O-])=C1	REAL300000426514	0	39	-2.0	-98.51	369.42	8.16	-90.35
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C(SCCC(=O)[O-])=C1	REAL300000426515	1	39	-2.0	-94.70	369.39	8.17	-86.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C(SCCC(=O)[O-])=C1	REAL300000426516	0	39	-2.0	-108.62	366.66	8.04	-100.58
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(SCCC(=O)[O-])=C1	REAL300000426517	0	41	-2.0	-98.63	376.37	8.27	-90.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(SCCC(=O)[O-])=C1	REAL300000426517	1	40	-3.0	-159.58	377.02	8.35	-151.23
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)C(SCCC(=O)[O-])=C1	REAL300000426518	1	45	-2.0	-103.77	394.09	9.68	-94.09
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426519	0	40	-2.0	-93.39	361.65	6.73	-86.66
CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(SCCC(=O)[O-])=C1	REAL300000426520	0	41	-2.0	-106.86	376.43	8.27	-98.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(SCCC(=O)[O-])=C1	REAL300000426520	1	40	-3.0	-173.33	377.03	8.34	-164.99
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C(SCCC(=O)[O-])=C1	REAL300000426521	1	38	-2.0	-92.83	361.27	7.90	-84.93
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426522	1	41	-2.0	-102.74	369.98	8.45	-94.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C(SCCC(=O)[O-])=C1	REAL300000426524	0	38	-2.0	-98.56	365.30	8.29	-90.27
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=C1	REAL300000426525	0	43	-2.0	-101.01	391.32	8.27	-92.74
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2C)C(SCCC(=O)[O-])=C1	REAL300000426526	1	44	-2.0	-102.06	385.47	9.21	-92.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)C(SCCC(=O)[O-])=C1	REAL300000426527	1	44	-2.0	-103.60	386.99	8.98	-94.62
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426528	0	43	-2.0	-110.91	389.06	8.15	-102.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C(C)=C1	REAL300000426529	1	44	-2.0	-101.59	385.47	9.20	-92.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)C)C=C2)C(SCCC(=O)[O-])=C1	REAL300000426530	1	47	-2.0	-101.50	408.81	9.70	-91.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C(SCCC(=O)[O-])=C1	REAL300000426531	0	35	-2.0	-94.95	357.55	7.39	-87.56
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=C1	REAL300000426532	1	47	-2.0	-101.36	412.97	9.99	-91.37
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426533	0	42	-2.0	-107.75	376.83	7.56	-100.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C(SCCC(=O)[O-])=C1	REAL300000426534	0	38	-2.0	-102.49	361.71	8.33	-94.16
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C(SCCC(=O)[O-])=C1	REAL300000426535	0	40	-2.0	-99.08	376.79	8.45	-90.63
CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C(SCCC(=O)[O-])=C1	REAL300000426536	0	35	-2.0	-100.18	340.50	6.77	-93.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=C1	REAL300000426537	1	42	-2.0	-100.05	378.06	7.08	-92.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(SCCC(=O)[O-])=C1	REAL300000426538	0	40	-2.0	-111.81	369.67	9.19	-102.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=C1	REAL300000426539	1	41	-2.0	-102.17	369.98	8.46	-93.71
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=C1	REAL300000426540	1	45	-2.0	-99.75	399.91	8.00	-91.75
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C(SCCC(=O)[O-])=C1	REAL300000426541	0	38	-2.0	-98.31	360.48	7.91	-90.40
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C(SCCC(=O)[O-])=C1	REAL300000426542	0	38	-2.0	-98.87	354.98	7.84	-91.03
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C(SCCC(=O)[O-])=C1	REAL300000426543	0	38	-2.0	-93.27	361.39	7.91	-85.36
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C=C2C)C(SCCC(=O)[O-])=C1	REAL300000426544	1	47	-2.0	-101.32	400.12	10.12	-91.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C(SCCC(=O)[O-])=C1	REAL300000426545	1	38	-2.0	-95.77	365.30	8.29	-87.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(SCCC(=O)[O-])=C1	REAL300000426546	0	40	-2.0	-91.21	376.80	8.44	-82.77
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C(SCCC(=O)[O-])=C1	REAL300000426547	1	38	-2.0	-102.01	348.56	7.78	-94.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])S1	REAL300000426548	0	38	-2.0	-101.24	362.40	7.58	-93.66
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C(SCCC(=O)[O-])=C1	REAL300000426549	0	38	-2.0	-100.97	360.48	7.90	-93.07
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=C1	REAL300000426550	1	42	-2.0	-99.87	388.76	8.80	-91.07
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426552	0	44	-2.0	-100.61	385.27	6.81	-93.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C(SCCC(=O)[O-])=C1	REAL300000426553	0	42	-2.0	-101.39	383.07	4.56	-96.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=C1	REAL300000426554	1	44	-2.0	-101.67	391.47	9.21	-92.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C(SCCC(=O)[O-])=C1	REAL300000426555	1	38	-2.0	-95.24	354.97	7.84	-87.40
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C(SCCC(=O)[O-])=C1	REAL300000426556	0	38	-2.0	-106.10	354.05	7.83	-98.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C(Cl)=C1	REAL300000426557	0	41	-2.0	-102.31	383.12	9.00	-93.31
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C)C(SCCC(=O)[O-])=C1	REAL300000426558	1	41	-2.0	-94.64	370.46	8.61	-86.03
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(SCCC(=O)[O-])=C1	REAL300000426559	0	41	-3.0	-171.37	383.68	7.68	-163.69
CC1=CC=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(SCCC(=O)[O-])=C1	REAL300000426559	1	42	-2.0	-105.63	384.67	7.66	-97.97
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C(SCCC(=O)[O-])=C1	REAL300000426560	0	38	-2.0	-108.28	366.04	7.34	-100.94
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C(SCCC(=O)[O-])=C1	REAL300000426561	0	43	-2.0	-100.12	390.52	3.93	-96.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=C1F	REAL300000426562	1	42	-2.0	-98.52	384.28	7.15	-91.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=C1C	REAL300000426563	1	45	-2.0	-101.00	398.13	7.82	-93.18
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2)C(SCCC(=O)[O-])=C1	REAL300000426564	0	38	-2.0	-99.26	353.12	5.48	-93.78
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)C(SCCC(=O)[O-])=C1	REAL300000426566	1	41	-2.0	-97.73	380.79	9.06	-88.67
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)C(SCCC(=O)[O-])=C1	REAL300000426567	1	41	-2.0	-99.34	384.03	8.90	-90.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)C(SCCC(=O)[O-])=C1	REAL300000426568	1	41	-2.0	-99.32	375.29	8.49	-90.83
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)C(SCCC(=O)[O-])=C1	REAL300000426569	1	41	-2.0	-95.20	380.79	9.04	-86.16
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C(SCCC(=O)[O-])=C1	REAL300000426570	0	41	-2.0	-106.40	375.49	8.51	-97.89
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)C(SCCC(=O)[O-])=C1	REAL300000426571	0	41	-2.0	-97.88	370.46	8.61	-89.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C(C)=C1	REAL300000426572	1	45	-2.0	-99.59	393.53	7.85	-91.74
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2O)C(SCCC(=O)[O-])=C1	REAL300000426573	0	42	-2.0	-103.25	379.76	6.13	-97.12
CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C(SCCC(=O)[O-])=C1	REAL300000426574	0	35	-2.0	-96.75	330.15	4.17	-92.58
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=C(C(=O)[O-])O1	REAL300000426575	0	40	-3.0	-164.46	380.04	7.47	-156.99
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C(SCCC(=O)[O-])=C1	REAL300000426576	0	41	-2.0	-120.86	376.77	6.98	-113.88
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C(SCCC(=O)[O-])=C1	REAL300000426577	0	37	-2.0	-93.53	349.98	6.05	-87.48
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C=N2)C(SCCC(=O)[O-])=C1	REAL300000426578	0	38	-2.0	-109.34	352.58	6.88	-102.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C(SCCC(=O)[O-])=C1	REAL300000426579	0	38	-2.0	-91.85	364.51	6.29	-85.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C(SCCC(=O)[O-])=C1	REAL300000426580	0	38	-2.0	-104.51	360.34	7.89	-96.62
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=CN1C	REAL300000426581	0	41	-2.0	-110.79	372.10	6.66	-104.13
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=N1	REAL300000426582	0	41	-2.0	-99.40	374.65	6.34	-93.06
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426583	1	45	-2.0	-103.46	403.64	7.50	-95.96
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C(SCCC(=O)[O-])=C1	REAL300000426584	1	43	-2.0	-100.72	384.54	7.08	-93.64
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426585	0	38	-2.0	-97.39	348.95	4.82	-92.57
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426586	0	42	-2.0	-103.79	378.06	7.07	-96.72
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C)C(SCCC(=O)[O-])=C1	REAL300000426587	1	41	-2.0	-101.28	364.06	8.55	-92.73
CC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2)C(SCCC(=O)[O-])=C1	REAL300000426589	0	38	-2.0	-108.56	353.59	5.31	-103.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C)C(SCCC(=O)[O-])=C1	REAL300000426590	0	38	-2.0	-94.90	348.81	5.41	-89.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C(F)=C1	REAL300000426596	0	41	-2.0	-105.84	375.48	8.52	-97.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)C(SCCC(=O)[O-])=C1	REAL300000426597	1	41	-2.0	-95.87	375.29	8.48	-87.39
CC1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C(SCCC(=O)[O-])=C1	REAL300000426598	0	35	-2.0	-107.50	329.87	5.16	-102.34
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])O1	REAL300000426599	0	41	-2.0	-96.87	388.12	6.56	-90.31
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])SC=C1	REAL300000426601	0	38	-2.0	-101.05	356.80	7.59	-93.46
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1C	REAL300000426602	0	47	-2.0	-100.74	407.08	7.68	-93.06
CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)C(SCCC(=O)[O-])=C1	REAL300000426605	1	42	-2.0	-97.24	384.82	8.95	-88.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)C(SCCC(=O)[O-])=C1	REAL300000426606	1	42	-2.0	-94.07	384.82	8.93	-85.14
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C(SCCC(=O)[O-])=C1	REAL300000426608	0	39	-2.0	-97.75	374.87	8.23	-89.52
CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C(SCCC(=O)[O-])=C1	REAL300000426609	0	44	-2.0	-99.63	393.33	6.86	-92.77
CC1=CC=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C(SCCC(=O)[O-])=C1	REAL300000426611	0	44	-2.0	-109.76	392.54	6.21	-103.55
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)C(SCCC(=O)[O-])=C1	REAL300000426615	1	44	-2.0	-96.68	395.60	9.12	-87.56
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C(SCCC(=O)[O-])=C1	REAL300000426616	0	47	-2.0	-108.48	413.11	8.74	-99.74
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=CN1	REAL300000426617	0	42	-2.0	-102.11	391.97	6.12	-95.99
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)C(SCCC(=O)[O-])=C1	REAL300000426618	0	41	-2.0	-98.15	369.37	8.57	-89.58
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])S1	REAL300000426619	0	40	-2.0	-99.06	373.80	6.35	-92.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C(SCCC(=O)[O-])=C1	REAL300000426620	1	42	-2.0	-105.96	390.82	8.94	-97.02
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426621	1	44	-2.0	-102.88	391.46	9.21	-93.67
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)C(SCCC(=O)[O-])=C1	REAL300000426622	0	41	-2.0	-99.04	376.39	8.51	-90.53
COC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])SC=C1	REAL300000426625	0	39	-2.0	-108.97	370.74	6.06	-102.91
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(SCCC(=O)[O-])=C1	REAL300000426626	0	41	-2.0	-104.57	378.34	8.17	-96.40
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C(SCCC(=O)[O-])=C1	REAL300000426627	0	38	-2.0	-93.03	364.60	6.69	-86.34
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C(SCCC(=O)[O-])=C1	REAL300000426628	0	38	-2.0	-104.76	368.76	6.60	-98.16
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C(SCCC(=O)[O-])=C1	REAL300000426629	0	39	-2.0	-106.64	364.41	6.51	-100.13
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])S1	REAL300000426630	0	37	-2.0	-98.47	357.10	5.60	-92.87
CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C(SCCC(=O)[O-])=C1	REAL300000426633	0	44	-2.0	-108.62	394.01	8.17	-100.45
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=N1	REAL300000426634	0	45	-2.0	-97.67	408.32	5.38	-92.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)C(SCCC(=O)[O-])=C1	REAL300000426636	0	42	-2.0	-109.63	385.84	8.54	-101.09
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426637	0	44	-2.0	-108.45	395.89	8.53	-99.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)C(SCCC(=O)[O-])=C1	REAL300000426638	0	41	-2.0	-107.14	374.38	8.48	-98.66
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=N1	REAL300000426639	0	44	-2.0	-95.76	397.60	5.39	-90.37
CC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C(SCCC(=O)[O-])=C1	REAL300000426640	0	45	-2.0	-111.49	394.35	7.81	-103.68
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=C1	REAL300000426641	1	45	-2.0	-101.48	403.64	7.50	-93.98
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426642	0	43	-2.0	-103.65	387.84	4.75	-98.90
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)C(SCCC(=O)[O-])=C1	REAL300000426643	0	41	-2.0	-103.27	380.44	8.91	-94.36
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C(C)O1	REAL300000426645	0	41	-2.0	-99.80	371.52	7.36	-92.44
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426646	0	45	-2.0	-100.48	395.19	7.80	-92.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])O1	REAL300000426647	0	38	-2.0	-101.78	353.17	6.59	-95.19
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426648	0	41	-2.0	-102.25	382.22	8.18	-94.07
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C(SCCC(=O)[O-])=C1	REAL300000426649	1	41	-2.0	-98.45	374.61	6.44	-92.01
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C(SCCC(=O)[O-])=C1	REAL300000426650	0	37	-2.0	-93.69	360.32	6.47	-87.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])N=C1C	REAL300000426651	0	44	-2.0	-110.81	394.19	7.56	-103.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)C(SCCC(=O)[O-])=C1	REAL300000426652	0	41	-2.0	-102.85	383.12	9.00	-93.85
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426653	0	41	-2.0	-100.75	388.46	6.51	-94.24
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])S1	REAL300000426654	0	40	-2.0	-98.21	378.58	6.35	-91.86
CC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C(SCCC(=O)[O-])=C1	REAL300000426655	0	41	-2.0	-109.93	376.50	8.09	-101.84
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426659	0	42	-2.0	-106.75	384.65	8.83	-97.92
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=CC=C1F	REAL300000426660	1	42	-2.0	-95.34	384.29	7.15	-88.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C(SCCC(=O)[O-])=C1	REAL300000426661	0	35	-2.0	-100.68	331.25	5.76	-94.92
CC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C)C(SCCC(=O)[O-])=C1	REAL300000426662	0	37	-2.0	-90.81	343.04	4.19	-86.62
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C(SCCC(=O)[O-])=C1	REAL300000426663	0	42	-2.0	-104.13	376.55	7.21	-96.92
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426664	1	44	-2.0	-99.25	377.55	9.45	-89.80
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426667	0	41	-2.0	-98.93	373.14	5.25	-93.68
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C(SCCC(=O)[O-])=C1	REAL300000426670	0	42	-2.0	-105.67	377.75	9.05	-96.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C(SCCC(=O)[O-])=C1	REAL300000426671	1	42	-2.0	-105.64	390.80	8.95	-96.69
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(F)C=C2C)C(SCCC(=O)[O-])=C1	REAL300000426672	1	44	-2.0	-94.47	385.09	9.52	-84.95
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C(N)=NO1	REAL300000426673	0	39	-2.0	-93.24	356.11	5.15	-88.09
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426674	1	45	-2.0	-102.98	393.54	7.85	-95.13
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C(SCCC(=O)[O-])=C1	REAL300000426676	0	36	-2.0	-93.15	361.08	7.32	-85.83
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2)C(SCCC(=O)[O-])=C1	REAL300000426677	0	40	-2.0	-99.42	365.17	6.61	-92.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)C(SCCC(=O)[O-])=C1	REAL300000426678	1	42	-2.0	-94.52	388.54	8.67	-85.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C(F)=C1	REAL300000426680	0	42	-2.0	-103.71	383.56	7.14	-96.57
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])N(C)N=C1	REAL300000426682	0	41	-2.0	-95.47	365.44	6.24	-89.23
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C(SCCC(=O)[O-])=C1	REAL300000426683	0	36	-2.0	-94.33	352.51	6.32	-88.01
CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C(SCCC(=O)[O-])=C1	REAL300000426684	0	35	-2.0	-98.20	339.67	6.67	-91.53
CC1=CC=C([N-]S(=O)(=O)C2=COC=C2)C(SCCC(=O)[O-])=C1	REAL300000426685	0	35	-2.0	-98.95	331.11	5.66	-93.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=N1	REAL300000426686	0	41	-2.0	-95.78	375.75	4.46	-91.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C(SCCC(=O)[O-])=C1	REAL300000426687	0	41	-2.0	-105.80	375.17	6.41	-99.39
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426688	0	45	-2.0	-103.88	399.92	8.00	-95.88
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426689	1	44	-2.0	-125.58	392.98	5.37	-120.21
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C(SCCC(=O)[O-])=C1	REAL300000426690	0	35	-2.0	-100.08	356.55	7.23	-92.85
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426691	0	38	-2.0	-100.38	362.14	7.43	-92.95
CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C(SCCC(=O)[O-])=C1	REAL300000426692	0	35	-2.0	-97.90	346.85	4.58	-93.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C(SCCC(=O)[O-])=C1	REAL300000426693	0	37	-2.0	-97.36	355.49	5.87	-91.49
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426694	0	37	-2.0	-95.32	357.07	6.07	-89.25
CC1=CC=C([N-]S(=O)(=O)N=S2(=O)CCCC2)C(SCCC(=O)[O-])=C1	REAL300000426696	1	42	-2.0	-126.60	379.72	5.06	-121.54
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C(SCCC(=O)[O-])=C1	REAL300000426697	1	45	-2.0	-101.56	397.79	9.88	-91.68
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C(SCCC(=O)[O-])=C1	REAL300000426698	0	35	-2.0	-102.16	346.85	6.82	-95.34
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C(SCCC(=O)[O-])=C1	REAL300000426699	0	39	-2.0	-92.17	375.28	8.21	-83.96
CC1=CC=C([N-]S(=O)(=O)N=S(C)(C)=O)C(SCCC(=O)[O-])=C1	REAL300000426701	1	38	-2.0	-124.49	353.92	3.71	-120.78
CC1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C(SCCC(=O)[O-])=C1	REAL300000426702	0	35	-2.0	-102.57	330.19	4.35	-98.22
CC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C(SCCC(=O)[O-])=C1	REAL300000426703	0	43	-2.0	-106.37	385.57	4.69	-101.68
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])S1	REAL300000426704	0	41	-2.0	-102.22	378.68	8.41	-93.81
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C(SCCC(=O)[O-])=C1	REAL300000426705	0	39	-2.0	-91.68	371.95	6.63	-85.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=NN1C	REAL300000426708	0	41	-2.0	-99.42	369.24	6.00	-93.42
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=C1	REAL300000426709	1	42	-2.0	-102.10	379.65	8.87	-93.23
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426710	0	41	-2.0	-100.20	371.96	6.13	-94.07
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C(SCCC(=O)[O-])=C1	REAL300000426711	0	38	-2.0	-92.84	364.41	6.37	-86.47
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C(SCCC(=O)[O-])=C1	REAL300000426714	1	43	-2.0	-104.25	384.37	7.62	-96.63
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)C(SCCC(=O)[O-])=C1	REAL300000426716	0	41	-2.0	-101.95	375.72	9.28	-92.67
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C(SCCC(=O)[O-])=C1	REAL300000426717	0	43	-2.0	-110.80	384.88	7.59	-103.21
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426722	0	42	-2.0	-104.00	383.23	7.63	-96.37
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426723	0	37	-2.0	-93.14	345.52	5.72	-87.42
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C(SCCC(=O)[O-])=C1	REAL300000426724	1	41	-2.0	-96.69	384.03	8.89	-87.80
CC1=CC=C([N-]S(=O)(=O)N=S(C)(=O)N(C)C)C(SCCC(=O)[O-])=C1	REAL300000426725	0	43	-2.0	-116.39	390.09	3.72	-112.67
CC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C(SCCC(=O)[O-])=C1	REAL300000426726	0	37	-2.0	-104.41	349.07	5.94	-98.47
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C(SCCC(=O)[O-])=C1	REAL300000426729	0	37	-2.0	-92.61	349.97	5.93	-86.68
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C(SCCC(=O)[O-])=C1	REAL300000426731	0	36	-2.0	-104.49	358.95	7.17	-97.32
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)C(SCCC(=O)[O-])=C1	REAL300000426738	0	41	-2.0	-105.59	376.98	4.46	-101.13
CCOC(CS(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-])C1CC1	REAL300000426739	1	48	-2.0	-100.62	411.99	8.12	-92.50
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])N1C	REAL300000426740	0	41	-2.0	-100.03	367.94	6.75	-93.28
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C(SCCC(=O)[O-])=C1	REAL300000426741	0	41	-2.0	-98.99	388.32	7.28	-91.71
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(SCCC(=O)[O-])=C1	REAL300000426742	0	39	-3.0	-171.31	373.25	6.45	-164.86
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426743	0	42	-2.0	-100.12	381.30	7.93	-92.19
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C(SCCC(=O)[O-])=C1	REAL300000426744	0	39	-2.0	-92.94	375.83	8.24	-84.70
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C(SCCC(=O)[O-])=C1	REAL300000426745	0	40	-2.0	-112.51	371.74	6.96	-105.55
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C(SCCC(=O)[O-])=C1	REAL300000426745	1	40	-2.0	-100.38	371.84	6.82	-93.56
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C(SCCC(=O)[O-])=C1	REAL300000426746	0	42	-2.0	-108.25	382.31	7.73	-100.52
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C(SCCC(=O)[O-])=C1	REAL300000426748	0	39	-2.0	-98.53	364.75	5.53	-93.00
CC1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C(SCCC(=O)[O-])=C1	REAL300000426748	1	39	-2.0	-91.31	359.66	5.82	-85.49
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])C(SCCC(=O)[O-])=C1	REAL300000426748	1	38	-3.0	-185.59	361.19	6.40	-179.19
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426749	0	44	-2.0	-99.43	391.42	6.93	-92.50
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C(SCCC(=O)[O-])=C1	REAL300000426750	0	38	-2.0	-95.04	353.78	5.13	-89.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C(C#N)=C1	REAL300000426751	0	42	-2.0	-107.56	388.07	8.71	-98.85
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)C(SCCC(=O)[O-])=C1	REAL300000426752	0	42	-2.0	-107.30	380.34	9.00	-98.30
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426753	0	38	-2.0	-92.85	367.82	3.58	-89.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C(SCCC(=O)[O-])=C1	REAL300000426754	0	34	-2.0	-94.94	335.31	5.48	-89.46
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=C(C(N)=O)O1	REAL300000426756	0	42	-2.0	-99.56	388.08	3.39	-96.17
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426757	1	47	-2.0	-99.16	399.16	10.23	-88.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C(SCCC(=O)[O-])=C1	REAL300000426759	0	39	-2.0	-104.30	374.39	8.20	-96.10
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=N2)C(SCCC(=O)[O-])=C1	REAL300000426760	0	37	-2.0	-103.92	347.37	4.10	-99.82
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C(SCCC(=O)[O-])=C1	REAL300000426761	0	45	-2.0	-99.81	398.47	7.45	-92.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C(SCCC(=O)[O-])=C1	REAL300000426762	0	45	-2.0	-97.14	395.86	7.66	-89.48
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C(SCCC(=O)[O-])=C1	REAL300000426763	0	45	-2.0	-101.99	391.49	7.83	-94.16
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426764	0	41	-2.0	-97.37	371.47	8.47	-88.90
CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C(SCCC(=O)[O-])=C1	REAL300000426765	0	35	-2.0	-98.65	353.99	7.21	-91.44
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426766	0	40	-2.0	-90.93	363.80	5.10	-85.83
CC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C(SCCC(=O)[O-])=C1	REAL300000426768	0	39	-2.0	-91.63	363.45	6.56	-85.07
CC1=CC=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C(SCCC(=O)[O-])=C1	REAL300000426769	0	45	-2.0	-96.52	400.51	7.49	-89.03
CC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C(SCCC(=O)[O-])=C1	REAL300000426770	0	41	-2.0	-103.71	378.34	8.06	-95.65
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C(SCCC(=O)[O-])=C1	REAL300000426771	0	45	-2.0	-102.06	403.87	7.69	-94.37
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)C(SCCC(=O)[O-])=C1	REAL300000426772	0	42	-2.0	-101.29	376.60	5.48	-95.81
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426773	0	38	-2.0	-99.25	365.86	3.64	-95.61
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])N=CN1	REAL300000426774	0	38	-2.0	-108.52	347.68	5.87	-102.65
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C(SCCC(=O)[O-])=C1	REAL300000426776	0	35	-2.0	-98.34	354.41	7.31	-91.03
CC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C(SCCC(=O)[O-])=C1	REAL300000426777	0	42	-2.0	-105.62	386.69	8.89	-96.73
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426778	1	47	-2.0	-102.94	412.96	9.99	-92.95
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C(SCCC(=O)[O-])=C1	REAL300000426779	0	39	-2.0	-103.19	373.08	8.11	-95.08
CC1=CC=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C(SCCC(=O)[O-])=C1	REAL300000426780	0	45	-2.0	-100.18	394.26	7.30	-92.88
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C)C(SCCC(=O)[O-])=C1	REAL300000426782	1	44	-2.0	-100.98	378.70	9.46	-91.52
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C(SCCC(=O)[O-])=C1	REAL300000426783	0	47	-2.0	-94.26	395.61	7.67	-86.59
CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C(SCCC(=O)[O-])=C1	REAL300000426784	0	47	-2.0	-100.35	413.06	7.49	-92.86
CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C(SCCC(=O)[O-])=C1	REAL300000426785	0	45	-2.0	-99.62	397.15	6.86	-92.76
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C(SCCC(=O)[O-])=C1	REAL300000426786	1	41	-2.0	-100.94	376.56	8.59	-92.35
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426787	0	41	-2.0	-95.92	370.77	5.99	-89.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C)C(SCCC(=O)[O-])=C1	REAL300000426789	1	44	-2.0	-102.01	381.07	9.08	-92.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C(SCCC(=O)[O-])=C1	REAL300000426790	1	45	-2.0	-103.12	397.79	9.89	-93.23
COC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=CS1	REAL300000426791	0	39	-2.0	-104.56	370.83	6.22	-98.34
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426792	0	47	-2.0	-97.03	408.53	7.66	-89.37
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])O1	REAL300000426794	0	41	-2.0	-101.74	374.65	7.38	-94.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])S1	REAL300000426795	0	39	-2.0	-98.75	372.35	6.22	-92.53
CC1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C(SCCC(=O)[O-])=C1	REAL300000426796	0	41	-2.0	-96.88	381.24	6.47	-90.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C(SCCC(=O)[O-])=C1	REAL300000426797	0	41	-2.0	-102.74	369.14	8.74	-94.00
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C(SCCC(=O)[O-])=C1	REAL300000426798	0	41	-2.0	-104.83	374.08	8.16	-96.67
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=N1	REAL300000426799	0	40	-2.0	-99.93	369.28	4.65	-95.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C(SCCC(=O)[O-])=C1	REAL300000426800	0	35	-2.0	-96.05	348.32	6.39	-89.66
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C(SCCC(=O)[O-])=C1	REAL300000426802	0	42	-2.0	-101.75	392.39	9.09	-92.66
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426803	0	38	-2.0	-101.04	353.16	6.44	-94.60
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C(SCCC(=O)[O-])=C1	REAL300000426804	0	38	-2.0	-96.63	368.45	5.83	-90.80
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C(SCCC(=O)[O-])=C1	REAL300000426805	0	36	-2.0	-100.82	352.73	6.22	-94.60
CC1=CC=C([N-]S(=O)(=O)C2=C(C)NC(=O)NC2=O)C(SCCC(=O)[O-])=C1	REAL300000426806	0	41	-2.0	-103.94	371.27	3.74	-100.20
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(SCCC(=O)[O-])=C1	REAL300000426807	0	35	-2.0	-98.22	347.34	6.28	-91.94
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C(SCCC(=O)[O-])=C1	REAL300000426808	0	35	-2.0	-95.69	357.38	7.28	-88.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C(SCCC(=O)[O-])=C1	REAL300000426809	1	45	-2.0	-103.83	392.12	9.94	-93.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C(C)=N1	REAL300000426811	0	44	-2.0	-95.41	391.41	5.22	-90.19
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426812	0	44	-2.0	-105.51	395.99	5.58	-99.93
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=C1C	REAL300000426813	0	44	-2.0	-96.78	395.88	5.18	-91.60
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C(SCCC(=O)[O-])=C1	REAL300000426814	0	47	-2.0	-98.98	411.51	7.92	-91.06
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SCCC(=O)[O-]	REAL300000426815	0	47	-2.0	-100.52	412.18	7.51	-93.01
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C(SCCC(=O)[O-])=C1	REAL300000426816	0	36	-2.0	-101.72	351.52	6.18	-95.54
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C(SCCC(=O)[O-])=C1	REAL300000426817	0	36	-2.0	-101.61	360.62	7.10	-94.51
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C(SCCC(=O)[O-])=C1	REAL300000426818	0	44	-2.0	-96.30	390.27	7.04	-89.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C(SCCC(=O)[O-])=C1	REAL300000426819	0	45	-2.0	-95.12	400.78	7.89	-87.23
COC1=NOC(CS(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])=C1	REAL300000426820	1	41	-2.0	-96.02	379.63	4.12	-91.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SCCC(=O)[O-])C=NN1C(C)C	REAL300000426821	0	47	-2.0	-99.96	411.65	7.58	-92.38
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C(SCCC(=O)[O-])=C1	REAL300000426823	0	39	-2.0	-102.51	359.59	4.92	-97.59
CC1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C(SCCC(=O)[O-])=C1	REAL300000426824	0	34	-2.0	-92.98	334.22	5.36	-87.62
CC1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C(SCCC(=O)[O-])=C1	REAL300000426825	0	34	-2.0	-97.23	335.16	4.88	-92.35
CC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C(SCCC(=O)[O-])=C1	REAL300000426826	0	45	-2.0	-101.17	394.30	7.09	-94.08
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C(SCCC(=O)[O-])=C1	REAL300000426827	0	41	-2.0	-106.40	375.49	8.51	-97.89
COCC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C21	REAL300000426828	1	43	-2.0	-101.69	379.15	6.26	-95.43
COCC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000426829	1	43	-2.0	-114.30	379.17	6.25	-108.05
COCC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C21	REAL300000426830	0	40	-2.0	-102.45	368.42	5.12	-97.33
COCC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=CC=C21	REAL300000426831	0	44	-2.0	-112.63	385.81	5.60	-107.03
COCC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C21	REAL300000426832	0	40	-2.0	-109.98	370.83	5.29	-104.69
COCC(=O)N1CCC2=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=CC=C21	REAL300000426833	0	43	-2.0	-108.80	382.17	5.39	-103.41
COCC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C21	REAL300000426834	0	40	-2.0	-97.56	367.48	5.23	-92.33
COCC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C21	REAL300000426835	0	42	-2.0	-104.73	372.21	4.16	-100.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2Cl)=C1	REAL300000426845	1	31	-2.0	-105.67	317.33	6.46	-99.21
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2Cl)=C1	REAL300000426847	1	28	-2.0	-99.28	302.61	5.34	-93.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2Cl)=C1	REAL300000426852	1	31	-2.0	-99.87	320.98	6.08	-93.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2Cl)S1	REAL300000426863	1	28	-2.0	-93.81	301.69	5.45	-88.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2Cl)=C1F	REAL300000426865	1	34	-2.0	-102.77	335.18	7.03	-95.74
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(F)F)=C2Cl)=C1	REAL300000426869	0	32	-2.0	-107.26	319.15	4.94	-102.32
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2Cl)=C1	REAL300000426875	1	31	-2.0	-93.35	321.16	6.45	-86.90
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2Cl)=C1	REAL300000426878	1	34	-2.0	-108.82	334.46	7.02	-101.80
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2Cl)=C1F	REAL300000426883	1	31	-2.0	-113.89	315.50	6.42	-107.47
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2Cl)=C1	REAL300000426885	0	30	-2.0	-100.98	306.41	4.38	-96.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2Cl)=C(Cl)O1	REAL300000426887	1	28	-2.0	-92.71	309.53	5.30	-87.41
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000426889	1	42	-2.0	-88.95	386.77	5.56	-83.39
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000426890	1	35	-2.0	-104.93	334.84	7.01	-97.92
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CSC	REAL300000426891	0	43	-2.0	-107.32	389.93	8.06	-99.26
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000426892	1	35	-2.0	-95.65	330.30	6.98	-88.67
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000426893	1	35	-2.0	-109.32	330.32	6.97	-102.35
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CSC	REAL300000426894	0	39	-2.0	-114.94	358.45	6.77	-108.17
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000426895	1	39	-2.0	-94.89	361.76	8.27	-86.62
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000426896	1	38	-2.0	-108.84	346.34	7.51	-101.33
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000426897	0	35	-2.0	-104.83	343.38	7.55	-97.28
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000426898	1	35	-2.0	-103.40	342.81	7.37	-96.03
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000426899	1	41	-2.0	-112.46	363.41	8.31	-104.15
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000426900	0	35	-2.0	-106.62	335.78	7.04	-99.58
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000426901	1	41	-2.0	-94.46	373.88	8.57	-85.89
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000426902	0	32	-2.0	-103.33	323.49	5.99	-97.34
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000426903	1	38	-2.0	-110.52	345.74	7.77	-102.75
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000426904	1	39	-2.0	-93.68	361.37	7.26	-86.42
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000426905	0	36	-2.0	-106.02	336.96	6.32	-99.70
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000426907	0	35	-2.0	-98.41	339.44	6.66	-91.75
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000426908	1	41	-2.0	-111.76	361.75	8.29	-103.47
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000426909	0	32	-2.0	-103.39	321.96	6.01	-97.38
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CSC)=CC(C(=O)[O-])=C1OC	REAL300000426910	1	43	-2.0	-109.81	388.63	6.78	-103.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CSC)C=C1C(=O)[O-]	REAL300000426911	1	39	-2.0	-113.47	357.58	7.04	-106.43
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000426912	1	45	-2.0	-114.52	385.55	9.60	-104.92
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000426913	1	44	-2.0	-112.63	384.21	8.99	-103.64
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CSC	REAL300000426914	1	41	-2.0	-108.65	356.89	8.55	-100.10
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CSC	REAL300000426915	0	42	-2.0	-114.98	380.74	7.54	-107.44
CSCC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000426916	0	38	-2.0	-113.08	357.24	7.48	-105.60
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000426916	1	37	-3.0	-184.57	358.72	7.54	-177.03
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000426917	1	42	-2.0	-114.82	374.55	8.87	-105.95
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000426918	0	35	-2.0	-103.11	333.31	6.11	-97.00
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000426919	1	41	-2.0	-114.15	372.48	6.75	-107.40
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000426920	0	39	-2.0	-109.25	359.29	6.06	-103.19
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000426921	1	43	-2.0	-94.03	383.23	7.58	-86.45
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000426922	0	35	-2.0	-101.42	347.90	7.56	-93.86
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000426923	1	42	-2.0	-94.25	381.46	7.97	-86.28
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000426924	1	38	-2.0	-100.80	351.03	7.80	-93.00
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000426925	1	39	-2.0	-93.28	367.60	7.32	-85.96
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CSC)C=C1C(=O)[O-]	REAL300000426926	1	42	-2.0	-116.03	379.44	7.95	-108.08
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000426927	0	35	-2.0	-106.73	338.93	6.87	-99.86
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000426928	0	35	-2.0	-92.99	343.36	7.54	-85.45
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000426929	1	35	-2.0	-95.22	334.82	7.01	-88.21
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000426930	0	32	-2.0	-97.21	322.56	6.10	-91.11
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000426931	1	35	-2.0	-100.02	336.73	7.04	-92.98
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000426932	0	38	-2.0	-108.08	356.05	7.67	-100.41
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000426933	0	35	-2.0	-95.00	335.77	7.05	-87.95
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000426934	1	35	-2.0	-93.26	342.79	7.38	-85.88
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000426935	1	38	-2.0	-100.85	359.75	8.18	-92.67
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000426936	1	43	-2.0	-91.80	394.05	8.39	-83.41
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000426937	1	35	-2.0	-98.05	341.14	7.07	-90.98
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000426938	0	37	-2.0	-92.91	358.51	7.64	-85.27
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000426939	0	36	-2.0	-107.35	340.02	4.68	-102.67
CSCC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000426939	1	36	-2.0	-110.82	334.85	4.99	-105.83
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000426940	1	38	-2.0	-99.55	352.48	7.76	-91.79
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000426941	1	35	-2.0	-99.50	351.02	7.51	-91.99
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000426942	1	38	-2.0	-103.45	340.35	7.61	-95.84
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000426943	1	38	-2.0	-106.40	355.15	7.63	-98.77
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000426944	1	38	-2.0	-95.29	345.72	7.76	-87.53
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000426945	1	41	-2.0	-112.66	363.21	8.04	-104.62
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000426946	0	37	-2.0	-105.34	356.86	8.08	-97.26
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000426947	0	35	-2.0	-97.97	342.04	7.10	-90.87
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000426948	1	41	-2.0	-107.58	364.78	8.36	-99.22
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000426949	0	38	-2.0	-107.83	351.78	7.57	-100.26
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000426950	0	38	-2.0	-106.70	362.09	8.11	-98.59
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000426951	0	38	-2.0	-112.13	355.34	7.67	-104.46
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CSC)C=C1C(=O)[O-]	REAL300000426952	1	41	-2.0	-109.62	364.24	8.16	-101.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CSC)C=C1CC(=O)[O-]	REAL300000426953	1	42	-2.0	-109.57	380.77	7.11	-102.46
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000426954	1	38	-2.0	-97.93	356.57	8.16	-89.77
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000426955	1	38	-2.0	-105.23	361.54	7.93	-97.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CSC)C=C1C(=O)[O-]	REAL300000426956	0	39	-2.0	-107.28	358.32	7.20	-100.08
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000426958	1	38	-2.0	-102.61	360.18	7.94	-94.67
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000426959	0	44	-2.0	-106.06	377.55	9.04	-97.02
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000426960	1	38	-2.0	-97.27	350.36	7.62	-89.65
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000426961	0	40	-2.0	-99.57	373.56	9.17	-90.40
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000426962	1	38	-2.0	-107.76	350.26	7.79	-99.97
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000426963	0	37	-2.0	-113.74	354.03	8.82	-104.92
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000426964	0	35	-2.0	-112.89	333.95	7.00	-105.89
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000426965	1	38	-2.0	-100.88	351.47	7.55	-93.33
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000426966	1	41	-2.0	-117.82	371.35	9.09	-108.73
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000426967	0	34	-2.0	-106.91	326.53	5.09	-101.82
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CSC	REAL300000426968	0	39	-2.0	-99.97	358.51	6.77	-93.20
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000426969	0	32	-2.0	-96.70	330.41	5.95	-90.75
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000426970	1	42	-2.0	-102.80	376.44	8.86	-93.94
CSCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000426971	1	42	-2.0	-104.10	374.40	8.85	-95.25
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CSC)C=C(C(=O)[O-])O1	REAL300000426972	0	38	-2.0	-100.93	351.34	6.92	-94.01
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000426973	1	37	-2.0	-111.82	348.30	7.15	-104.67
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2)=N1	REAL300000426974	1	37	-2.0	-101.84	343.74	7.12	-94.72
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300000426975	1	37	-2.0	-114.33	343.78	7.12	-107.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN(C)C=N2)C=C1	REAL300000426976	0	41	-2.0	-120.01	371.91	6.91	-113.10
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2)=N1	REAL300000426977	1	41	-2.0	-101.49	375.21	8.41	-93.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000426978	1	40	-2.0	-116.80	363.85	7.76	-109.04
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2)=N1	REAL300000426979	0	37	-2.0	-110.20	356.83	7.69	-102.51
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000426980	1	37	-2.0	-110.17	356.27	7.51	-102.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)=C1C	REAL300000426981	1	43	-2.0	-117.42	376.16	8.43	-108.99
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)=N1	REAL300000426982	0	37	-2.0	-111.65	349.24	7.18	-104.47
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2)=N1	REAL300000426983	1	43	-2.0	-100.85	387.33	8.71	-92.14
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)=N1	REAL300000426984	0	34	-2.0	-108.50	336.95	6.13	-102.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN(C)C=N2)C=C1	REAL300000426985	1	40	-2.0	-115.57	359.19	7.90	-107.67
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2)=N1	REAL300000426986	1	41	-2.0	-100.22	374.83	7.40	-92.82
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000426987	0	38	-2.0	-112.73	350.41	6.47	-106.26
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN(C)C=N2)C=C1	REAL300000426988	1	41	-2.0	-115.88	367.96	5.94	-109.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)=C1	REAL300000426989	0	37	-2.0	-104.64	352.89	6.80	-97.84
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000426990	1	43	-2.0	-116.73	375.22	8.44	-108.29
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)=N1	REAL300000426991	0	34	-2.0	-110.03	335.41	6.16	-103.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000426992	1	41	-2.0	-120.22	371.05	7.18	-113.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN(C)C=N2)C=C1	REAL300000426993	1	43	-2.0	-114.07	373.90	8.85	-105.22
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2)=N1	REAL300000426994	1	44	-2.0	-119.60	388.01	9.01	-110.59
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000426995	0	37	-2.0	-108.25	346.80	6.26	-101.99
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)=C1	REAL300000426996	0	41	-2.0	-115.46	372.73	6.20	-109.26
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN(C)C=N2)C=C1	REAL300000426997	1	40	-2.0	-105.97	364.47	7.94	-98.03
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000426998	0	37	-2.0	-111.91	352.36	7.01	-104.90
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2)=N1	REAL300000426999	0	37	-2.0	-99.43	356.81	7.68	-91.75
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)=N1	REAL300000427000	1	37	-2.0	-101.28	348.30	7.16	-94.12
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)=N1	REAL300000427001	0	34	-2.0	-103.39	336.02	6.25	-97.14
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300000427002	1	37	-2.0	-105.11	350.17	7.18	-97.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)=C1F	REAL300000427003	0	40	-2.0	-113.08	369.52	7.82	-105.26
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)=N1	REAL300000427004	0	37	-2.0	-101.10	349.23	7.19	-93.91
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)=N1	REAL300000427005	1	37	-2.0	-99.31	356.26	7.52	-91.79
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000427006	1	37	-2.0	-103.28	354.58	7.21	-96.07
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)=N1	REAL300000427007	0	38	-2.0	-114.52	353.48	4.83	-109.69
CN1C=NC(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)=N1	REAL300000427007	1	38	-2.0	-113.60	352.68	5.63	-107.97
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)=N1	REAL300000427008	1	40	-2.0	-105.45	365.93	7.90	-97.55
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN(C)C=N2)C=C1	REAL300000427009	1	40	-2.0	-111.51	357.58	7.85	-103.66
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000427010	1	40	-2.0	-113.10	368.60	7.77	-105.33
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN(C)C=N2)C=C1	REAL300000427011	1	40	-2.0	-102.11	359.17	7.89	-94.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000427012	1	43	-2.0	-117.31	376.64	8.18	-109.13
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2)=N1	REAL300000427013	0	37	-2.0	-103.20	355.52	7.24	-95.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)C(C)=C1C(=O)[O-]	REAL300000427014	1	43	-2.0	-114.74	377.77	8.50	-106.24
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000427015	0	40	-2.0	-112.74	365.24	7.72	-105.02
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)=C1	REAL300000427016	0	40	-2.0	-119.01	368.80	7.81	-111.20
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000427017	1	43	-2.0	-116.12	378.00	8.30	-107.82
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000427018	0	41	-2.0	-114.02	371.78	7.34	-106.68
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)=CC=C1C(=O)[O-]	REAL300000427019	1	40	-2.0	-101.87	359.77	7.66	-94.21
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN(C)C=N2)C=C1	REAL300000427020	1	40	-2.0	-112.85	363.71	7.94	-104.91
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)=N1	REAL300000427021	0	37	-2.0	-118.28	347.38	7.14	-111.14
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000427022	1	40	-2.0	-106.88	368.70	7.79	-99.09
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=N1	REAL300000427023	0	36	-2.0	-111.90	339.97	5.24	-106.66
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN(C)C=N2)C=C1	REAL300000427024	0	41	-2.0	-106.08	371.97	6.92	-99.16
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)=N1	REAL300000427025	0	34	-2.0	-102.03	343.91	6.09	-95.94
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2)=N1	REAL300000427026	1	44	-2.0	-108.39	389.89	9.00	-99.39
CN1C=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2)=N1	REAL300000427027	1	44	-2.0	-111.03	389.20	8.99	-102.04
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN(C)C=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000427028	0	40	-2.0	-108.24	365.88	7.11	-101.13
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000427029	0	35	-2.0	-111.81	333.43	3.07	-108.74
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000427030	0	35	-2.0	-102.30	328.88	3.04	-99.26
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000427031	0	35	-2.0	-114.62	328.89	3.03	-111.59
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000427032	0	39	-2.0	-119.73	357.03	2.83	-116.90
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000427033	0	39	-2.0	-100.92	360.36	4.33	-96.59
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000427034	0	38	-2.0	-115.93	344.91	3.57	-112.36
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000427035	0	35	-2.0	-109.64	341.96	3.60	-106.04
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000427036	0	35	-2.0	-110.28	341.41	3.43	-106.85
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000427037	0	41	-2.0	-117.23	361.56	4.39	-112.84
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000427038	0	35	-2.0	-111.87	334.36	3.10	-108.77
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000427039	0	41	-2.0	-100.25	372.47	4.62	-95.63
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000427040	0	32	-2.0	-109.58	322.08	2.05	-107.53
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000427041	0	38	-2.0	-114.87	344.32	3.83	-111.04
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000427042	0	39	-2.0	-99.80	359.98	3.32	-96.48
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000427043	0	36	-2.0	-113.80	335.54	2.39	-111.41
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000427044	0	39	-2.0	-115.40	352.67	1.87	-113.53
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000427045	0	35	-2.0	-105.34	338.00	2.72	-102.62
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000427046	0	41	-2.0	-116.22	360.35	4.35	-111.87
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000427047	0	32	-2.0	-110.99	320.54	2.07	-108.92
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000427048	0	39	-2.0	-120.43	356.19	3.10	-117.33
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000427049	0	44	-2.0	-116.62	382.10	5.02	-111.60
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC=C1C(=O)OC	REAL300000427050	0	41	-2.0	-111.64	354.52	4.58	-107.06
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000427051	0	42	-2.0	-118.96	379.32	3.59	-115.37
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000427052	0	37	-3.0	-192.93	357.30	3.60	-189.33
COC(=O)C1=CC=C(O)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000427052	1	38	-2.0	-108.10	355.58	3.53	-104.57
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000427053	0	42	-2.0	-118.64	373.13	4.93	-113.71
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000427054	0	35	-2.0	-108.25	331.90	2.18	-106.07
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000427055	0	39	-2.0	-117.01	357.81	2.13	-114.88
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000427056	0	42	-2.0	-100.41	380.05	4.03	-96.38
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000427057	0	38	-2.0	-105.64	349.60	3.86	-101.78
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000427058	0	39	-2.0	-99.13	366.19	3.38	-95.75
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000427059	0	42	-2.0	-121.18	378.04	4.01	-117.17
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000427060	0	35	-2.0	-111.22	338.59	2.92	-108.30
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000427061	0	35	-2.0	-99.44	341.94	3.60	-95.84
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000427062	0	35	-2.0	-101.71	333.42	3.08	-98.63
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000427063	0	32	-2.0	-104.02	321.15	2.16	-101.86
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000427064	0	35	-2.0	-105.49	335.31	3.10	-102.39
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000427065	0	38	-2.0	-113.49	354.65	3.74	-109.75
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000427066	0	35	-2.0	-101.88	334.35	3.11	-98.77
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000427067	0	35	-2.0	-99.79	341.39	3.44	-96.35
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000427068	0	38	-2.0	-107.24	358.33	4.25	-102.99
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000427069	0	35	-2.0	-103.45	339.71	3.13	-100.32
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000427070	0	37	-2.0	-99.65	357.08	3.70	-95.95
COC(=O)C1=CC=C([O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000427070	1	36	-3.0	-183.42	353.53	4.48	-178.94
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000427071	0	36	-2.0	-112.90	338.61	0.74	-112.16
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000427072	0	38	-2.0	-105.28	351.08	3.81	-101.47
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000427073	0	38	-2.0	-111.62	338.93	3.67	-107.95
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000427074	0	38	-2.0	-114.35	353.72	3.69	-110.66
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000427075	0	38	-2.0	-102.03	344.30	3.82	-98.21
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000427076	0	41	-2.0	-118.89	362.35	4.12	-114.77
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000427077	0	37	-2.0	-112.55	355.47	4.12	-108.43
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000427078	0	35	-2.0	-103.72	340.65	3.16	-100.56
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000427079	0	41	-2.0	-116.22	362.42	4.44	-111.78
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000427080	0	38	-2.0	-114.33	354.21	3.73	-110.60
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000427081	0	38	-2.0	-111.57	360.65	4.17	-107.40
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000427082	0	38	-2.0	-120.76	353.92	3.73	-117.03
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000427083	0	41	-2.0	-116.67	363.21	4.22	-112.45
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000427084	0	42	-2.0	-115.43	379.36	3.17	-112.26
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000427085	0	38	-2.0	-104.73	355.15	4.21	-100.52
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000427086	0	38	-2.0	-113.22	360.11	3.99	-109.23
CCN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000427087	0	39	-2.0	-115.10	356.84	3.25	-111.85
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000427088	0	38	-2.0	-108.17	358.75	4.00	-104.17
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000427089	0	38	-2.0	-102.50	344.90	3.58	-98.92
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000427090	0	38	-2.0	-112.40	348.43	3.88	-108.52
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000427091	0	37	-2.0	-122.02	352.62	4.89	-117.13
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000427092	0	35	-2.0	-119.79	332.52	3.06	-116.73
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000427093	0	38	-2.0	-106.48	350.05	3.61	-102.87
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000427094	0	34	-2.0	-110.99	325.86	1.09	-109.90
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000427095	0	39	-2.0	-106.37	357.09	2.83	-103.54
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000427096	0	32	-2.0	-102.07	329.00	2.02	-100.05
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000427097	0	42	-2.0	-109.26	373.48	4.87	-104.39
COC(=O)C1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000427098	0	42	-2.0	-112.74	372.98	4.91	-107.83
CCC1=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000427099	0	38	-2.0	-107.03	347.20	2.92	-104.11
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=C2C=CC=C3C(F)(F)F)=C1	REAL300000427121	0	36	-2.0	-103.57	329.74	6.62	-96.95
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300000427134	0	38	-2.0	-93.36	362.36	3.16	-90.20
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300000427134	1	37	-3.0	-151.81	355.64	3.29	-148.52
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=CC=C1F	REAL300000427135	0	31	-2.0	-116.56	310.17	4.61	-111.95
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427136	0	38	-3.0	-170.13	358.79	5.79	-164.34
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300000427137	0	31	-2.0	-97.09	305.61	4.59	-92.50
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427138	0	31	-2.0	-95.75	301.63	4.70	-91.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427139	0	34	-3.0	-177.05	327.31	4.49	-172.56
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300000427140	0	35	-2.0	-97.79	337.36	5.87	-91.92
CC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000427141	0	34	-2.0	-116.52	321.87	5.09	-111.43
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427142	0	30	-3.0	-167.05	312.24	5.28	-161.77
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=CC=C1Cl	REAL300000427143	0	31	-2.0	-113.08	318.14	4.98	-108.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=C1C	REAL300000427144	0	37	-2.0	-108.98	334.31	6.04	-102.94
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427145	0	30	-3.0	-168.40	304.64	4.77	-163.63
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300000427146	0	37	-2.0	-95.67	349.47	6.16	-89.51
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427147	0	27	-3.0	-164.95	292.35	3.72	-161.23
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427148	0	34	-2.0	-107.93	316.41	5.51	-102.42
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300000427149	0	35	-2.0	-97.76	336.97	4.86	-92.90
CN1C=C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000427150	0	31	-3.0	-169.71	305.81	4.06	-165.65
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427151	0	35	-2.0	-108.49	325.15	3.55	-104.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427152	0	30	-3.0	-160.38	308.29	4.38	-156.00
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000427153	0	37	-2.0	-107.48	333.19	6.01	-101.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=CS1	REAL300000427154	0	27	-3.0	-166.87	290.82	3.74	-163.13
COC1=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000427155	0	39	-2.0	-112.80	359.93	4.51	-108.29
COC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000427156	0	35	-2.0	-102.93	333.18	4.64	-98.29
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427157	0	41	-2.0	-108.79	357.43	7.29	-101.50
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427158	0	40	-2.0	-106.95	355.17	6.72	-100.23
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427159	0	37	-2.0	-107.21	334.03	6.35	-100.86
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427160	0	37	-3.0	-180.14	349.60	5.26	-174.88
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000427161	0	33	-3.0	-174.72	330.04	5.26	-169.46
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427162	0	38	-2.0	-109.69	344.46	6.62	-103.07
CC1=C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000427163	0	30	-3.0	-162.94	302.17	3.84	-159.10
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=CC2=C1OCCO2	REAL300000427164	0	37	-2.0	-101.40	343.81	4.47	-96.93
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427165	0	34	-3.0	-174.18	328.15	3.79	-170.39
O=C([O-])C1COC2=CC=C(S(=O)(=O)NC3=CC=C([O-])C([N+](=O)[O-])=C3)C=C2C1	REAL300000427166	0	39	-2.0	-101.28	355.27	5.32	-95.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C(Cl)C=C1F	REAL300000427167	0	30	-3.0	-162.95	316.76	5.30	-157.65
CC1=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=CC=C1OCC(=O)[O-]	REAL300000427168	0	38	-2.0	-98.49	357.03	5.56	-92.93
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427169	0	34	-2.0	-101.06	322.50	5.49	-95.57
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1F	REAL300000427170	0	35	-2.0	-100.57	342.92	4.93	-95.64
CCOC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000427171	0	38	-2.0	-103.47	355.04	5.55	-97.92
CC1=C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000427172	0	30	-3.0	-167.43	307.77	4.59	-162.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)C(Cl)=C1	REAL300000427173	0	30	-3.0	-155.78	312.22	5.27	-150.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1F	REAL300000427174	0	30	-3.0	-156.54	303.69	4.74	-151.80
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1F	REAL300000427174	1	31	-2.0	-97.01	310.14	4.62	-92.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)S1	REAL300000427175	0	27	-3.0	-159.03	291.44	3.83	-155.20
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427176	0	31	-2.0	-91.76	308.03	4.77	-86.99
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427176	1	30	-3.0	-162.16	305.57	4.77	-157.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1F	REAL300000427177	0	33	-3.0	-169.95	324.94	5.41	-164.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)C(F)=C1	REAL300000427178	0	30	-3.0	-157.31	304.63	4.78	-152.53
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1Cl	REAL300000427179	0	31	-2.0	-94.20	318.12	4.99	-89.21
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427180	0	34	-2.0	-101.79	331.20	5.88	-95.91
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300000427181	0	39	-2.0	-97.85	369.36	6.00	-91.85
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300000427181	1	38	-3.0	-154.41	362.91	6.12	-148.29
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=CC(F)=C1F	REAL300000427182	0	31	-2.0	-106.05	312.45	4.79	-101.26
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427183	0	32	-3.0	-156.20	327.36	5.37	-150.83
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427184	0	31	-3.0	-170.27	308.88	2.41	-167.86
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300000427185	0	34	-2.0	-95.71	328.07	5.36	-90.35
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=CC(Cl)=C1F	REAL300000427186	0	31	-2.0	-106.15	322.33	5.23	-100.92
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427187	0	34	-2.0	-97.44	310.60	5.36	-92.08
CC1=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000427188	0	34	-2.0	-97.42	326.46	5.35	-92.07
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427189	0	34	-2.0	-99.52	316.39	5.51	-94.01
CC1=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000427190	0	37	-2.0	-112.05	334.52	5.77	-106.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000427191	0	32	-3.0	-168.75	325.73	5.79	-162.96
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427192	0	30	-3.0	-159.68	310.92	4.83	-154.85
CC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000427193	0	37	-2.0	-102.01	334.93	6.12	-95.89
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000427194	0	33	-3.0	-170.89	324.49	5.40	-165.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1Cl	REAL300000427195	0	33	-3.0	-168.87	330.91	5.84	-163.03
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427196	0	33	-3.0	-178.64	324.20	5.40	-173.24
CCC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000427197	0	37	-2.0	-95.07	335.56	5.89	-89.18
COC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1CC(=O)[O-]	REAL300000427198	0	38	-2.0	-111.23	356.10	4.72	-106.51
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427199	0	34	-2.0	-93.57	327.69	5.85	-87.72
CC1=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1Cl	REAL300000427200	0	34	-2.0	-94.51	332.85	5.66	-88.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000427201	0	34	-3.0	-171.17	327.19	4.92	-166.25
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C(C)=C1CC(=O)[O-]	REAL300000427202	0	43	-2.0	-116.35	362.06	7.28	-109.07
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000427203	0	34	-2.0	-106.67	335.37	5.77	-100.90
CC1=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000427204	0	34	-2.0	-97.93	317.63	5.24	-92.69
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000427205	0	35	-3.0	-168.13	342.43	6.89	-161.24
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427206	0	34	-2.0	-109.14	320.91	5.53	-103.61
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1[N+](=O)[O-]	REAL300000427207	0	32	-3.0	-181.99	322.89	6.55	-175.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1F	REAL300000427208	0	30	-3.0	-177.79	302.83	4.73	-173.06
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000427209	0	34	-2.0	-105.73	326.57	5.38	-100.35
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C([N+](=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000427210	0	37	-2.0	-119.38	342.67	6.83	-112.55
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000427211	0	29	-3.0	-167.30	296.15	2.76	-164.54
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427212	0	34	-3.0	-162.40	327.37	4.50	-157.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)=C(Cl)O1	REAL300000427213	0	27	-3.0	-157.16	299.31	3.68	-153.48
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3=CC=C([O-])C([N+](=O)[O-])=C3)C=C2)CC1	REAL300000427214	0	38	-2.0	-103.11	348.01	6.56	-96.55
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3=CC=C([O-])C([N+](=O)[O-])=C3)C=C2C1	REAL300000427215	0	38	-2.0	-102.67	347.07	6.60	-96.07
CCC1=C(S(=O)(=O)[N-]C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000427216	0	33	-3.0	-163.18	321.30	4.69	-158.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(=O)(=O)CCO)C=C2)C=C1	REAL300000427217	1	38	-2.0	-98.26	359.22	0.10	-98.16
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(S(=O)(=O)CCO)C=C2)=C1	REAL300000427218	1	38	-2.0	-111.15	359.25	0.08	-111.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(=O)(=O)CCO)C=C2)C=C1C(=O)[O-]	REAL300000427219	1	41	-2.0	-112.42	379.32	0.75	-111.67
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(S(=O)(=O)CCO)C=C2)=C1	REAL300000427220	0	35	-2.0	-105.29	352.41	-0.88	-106.17
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(=O)(=O)CCO)C=C1	REAL300000427221	1	41	-2.0	-112.28	374.66	0.89	-111.39
CN1C=C(S(=O)(=O)[N-]C2=CC=C(S(=O)(=O)CCO)C=C2)C=C1C(=O)[O-]	REAL300000427222	0	39	-2.0	-109.35	365.88	-0.56	-109.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(S(=O)(=O)CCO)C=C2)=CS1	REAL300000427223	0	35	-2.0	-106.82	350.90	-0.86	-107.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(=O)(=O)CCO)C=C2)C=C(C(=O)[O-])O1	REAL300000427224	0	38	-2.0	-105.02	362.24	-0.76	-105.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(=O)(=O)CCO)C=C2)S1	REAL300000427225	0	35	-2.0	-99.72	351.50	-0.77	-100.49
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(=O)(=O)CCO)C=C2)C=C1	REAL300000427226	1	41	-2.0	-101.70	381.40	0.87	-100.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(S(=O)(=O)CCO)C=C1	REAL300000427227	1	41	-2.0	-107.38	373.05	0.84	-106.54
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(S(=O)(=O)CCO)C=C1	REAL300000427228	1	41	-2.0	-98.64	374.64	0.88	-97.76
CC1=CC(S(=O)(=O)[N-]C2=CC=C(S(=O)(=O)CCO)C=C2)=CC=C1C(=O)[O-]	REAL300000427229	1	41	-2.0	-98.30	375.24	0.65	-97.65
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(S(=O)(=O)CCO)C=C2)=C1	REAL300000427230	0	37	-2.0	-108.52	355.46	-1.78	-110.30
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000427231	0	38	-2.0	-108.46	353.98	6.75	-101.71
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000427232	0	38	-2.0	-98.47	349.43	6.73	-91.74
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000427233	0	38	-2.0	-111.05	349.45	6.72	-104.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1C	REAL300000427234	0	42	-2.0	-116.89	377.59	6.52	-110.37
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000427235	0	42	-2.0	-98.10	380.90	8.01	-90.09
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000427236	0	41	-2.0	-112.21	365.48	7.25	-104.96
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000427237	0	38	-2.0	-107.07	362.52	7.29	-99.78
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000427238	0	38	-2.0	-106.80	361.96	7.11	-99.69
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000427239	0	44	-2.0	-114.19	382.56	8.05	-106.14
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000427240	0	38	-2.0	-108.52	354.93	6.78	-101.74
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000427241	0	44	-2.0	-97.37	393.03	8.30	-89.07
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000427242	0	35	-2.0	-105.27	342.64	5.73	-99.54
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000427243	0	41	-2.0	-112.37	364.89	7.50	-104.87
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000427244	0	42	-2.0	-96.76	380.52	7.00	-89.76
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000427245	0	39	-2.0	-109.47	356.09	6.06	-103.41
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000427246	0	42	-2.0	-112.69	373.65	5.53	-107.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2C)=C1	REAL300000427247	0	38	-2.0	-101.24	358.58	6.40	-94.84
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000427248	0	44	-2.0	-113.58	380.90	8.04	-105.54
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000427249	0	35	-2.0	-106.64	341.10	5.75	-100.89
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2C)C=C1C(=O)[O-]	REAL300000427250	0	42	-2.0	-116.88	376.73	6.78	-110.10
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000427251	0	47	-2.0	-114.51	403.35	8.72	-105.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1C	REAL300000427252	0	44	-2.0	-110.75	378.94	8.42	-102.33
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000427253	0	45	-2.0	-116.42	393.70	8.61	-107.81
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000427254	0	38	-2.0	-105.01	352.46	5.85	-99.16
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000427255	0	42	-2.0	-112.00	378.41	5.81	-106.19
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000427256	0	41	-2.0	-102.78	370.16	7.53	-95.25
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000427257	0	38	-2.0	-108.67	358.08	6.62	-102.05
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000427258	0	38	-2.0	-96.12	362.50	7.28	-88.84
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000427259	0	38	-2.0	-97.89	353.96	6.76	-91.13
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000427260	0	35	-2.0	-100.03	341.71	5.84	-94.19
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000427261	0	38	-2.0	-101.80	355.87	6.78	-95.02
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000427262	0	41	-2.0	-109.90	375.20	7.41	-102.49
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000427263	0	38	-2.0	-97.75	354.92	6.79	-90.96
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000427264	0	38	-2.0	-95.95	361.94	7.12	-88.83
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000427265	0	38	-2.0	-99.93	360.27	6.81	-93.12
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000427266	0	39	-2.0	-111.55	359.16	4.44	-107.11
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000427267	0	41	-2.0	-102.07	371.62	7.50	-94.57
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000427268	0	41	-2.0	-106.95	359.49	7.35	-99.60
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000427269	0	41	-2.0	-109.75	374.28	7.37	-102.38
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000427270	0	41	-2.0	-98.76	364.87	7.49	-91.27
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000427271	0	44	-2.0	-114.15	382.33	7.79	-106.36
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000427272	0	38	-2.0	-99.93	361.19	6.84	-93.09
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000427273	0	44	-2.0	-110.99	383.93	8.11	-102.88
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000427274	0	41	-2.0	-110.86	374.77	7.41	-103.45
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000427275	0	41	-2.0	-115.43	374.49	7.41	-108.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2C)C=C1C(=O)[O-]	REAL300000427276	0	44	-2.0	-112.86	383.68	7.90	-104.96
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2C)C=C1C(=O)[O-]	REAL300000427277	0	42	-2.0	-110.75	377.47	6.93	-103.82
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000427278	0	41	-2.0	-98.56	365.46	7.26	-91.30
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000427279	0	41	-2.0	-109.65	369.40	7.53	-102.12
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000427280	0	38	-2.0	-114.59	353.11	6.75	-107.84
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000427281	0	41	-2.0	-102.56	370.62	7.29	-95.27
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000427282	0	37	-2.0	-108.56	345.66	4.84	-103.72
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=CC=C2)N=C1C	REAL300000427283	0	42	-2.0	-102.78	377.65	6.52	-96.26
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000427284	0	35	-2.0	-98.74	349.55	5.69	-93.05
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000427285	0	45	-2.0	-105.18	395.57	8.59	-96.59
CC1=NN(C2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000427286	0	45	-2.0	-107.76	394.89	8.60	-99.16
CCC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=CC=C3)N=C2C)C=C(C(=O)[O-])O1	REAL300000427287	0	41	-2.0	-104.91	371.58	6.70	-98.21
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000427288	0	41	-2.0	-82.63	384.21	2.42	-80.21
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000427289	0	34	-2.0	-97.41	332.28	3.86	-93.55
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000427290	0	42	-2.0	-98.22	387.35	4.93	-93.29
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000427291	0	34	-2.0	-88.05	327.72	3.84	-84.21
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000427292	0	34	-2.0	-99.22	327.73	3.83	-95.39
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000427293	0	38	-2.0	-103.47	355.87	3.64	-99.83
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000427294	0	38	-2.0	-88.14	359.20	5.13	-83.01
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000427295	0	37	-2.0	-100.06	343.75	4.37	-95.69
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000427296	0	40	-2.0	-101.54	359.72	5.17	-96.37
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000427297	0	34	-2.0	-95.60	333.20	3.90	-91.70
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000427298	0	40	-2.0	-87.08	371.32	5.42	-81.66
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000427299	0	31	-2.0	-93.75	320.92	2.86	-90.89
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000427300	0	37	-2.0	-99.70	343.16	4.62	-95.08
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000427301	0	38	-2.0	-86.82	358.82	4.12	-82.70
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000427302	0	35	-2.0	-97.89	334.38	3.18	-94.71
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000427303	0	38	-2.0	-100.44	351.52	2.67	-97.77
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000427304	0	34	-2.0	-90.20	336.84	3.52	-86.68
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000427305	0	40	-2.0	-100.59	359.19	5.15	-95.44
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000427306	0	31	-2.0	-95.41	319.38	2.88	-92.53
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000427307	0	42	-2.0	-99.79	386.06	3.64	-96.15
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000427308	0	38	-2.0	-105.15	355.03	3.90	-101.25
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000427309	0	44	-2.0	-102.67	382.96	6.47	-96.20
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000427310	0	43	-2.0	-101.45	381.64	5.85	-95.60
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000427311	0	40	-2.0	-98.40	357.85	5.57	-92.83
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000427312	0	41	-2.0	-102.80	378.16	4.40	-98.40
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000427313	0	36	-3.0	-171.57	356.14	4.40	-167.17
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000427314	0	41	-2.0	-103.05	371.98	5.73	-97.32
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000427315	0	34	-2.0	-93.43	330.74	2.98	-90.45
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1	REAL300000427315	1	34	-2.0	-102.40	331.62	3.01	-99.39
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000427316	0	40	-2.0	-103.85	369.91	3.61	-100.24
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000427317	0	38	-2.0	-101.07	356.65	2.93	-98.14
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000427318	0	42	-2.0	-87.02	380.66	4.44	-82.58
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000427319	0	41	-2.0	-87.21	378.89	4.82	-82.39
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000427320	0	37	-2.0	-91.14	348.03	4.68	-86.46
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000427321	0	38	-2.0	-86.80	365.03	4.18	-82.62
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)=C1	REAL300000427322	0	41	-2.0	-105.72	376.88	4.81	-100.91
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000427323	0	34	-2.0	-96.46	337.42	3.72	-92.74
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000427324	0	34	-2.0	-85.95	340.78	4.39	-81.56
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000427325	0	34	-2.0	-87.95	332.24	3.87	-84.08
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000427326	0	31	-2.0	-89.20	319.99	2.96	-86.24
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000427327	0	34	-2.0	-90.59	334.14	3.90	-86.69
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000427328	0	37	-2.0	-96.73	353.49	4.54	-92.19
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000427329	0	34	-2.0	-87.13	333.19	3.90	-83.23
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000427330	0	34	-2.0	-85.81	340.22	4.23	-81.58
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000427331	0	37	-2.0	-92.67	356.76	5.07	-87.60
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000427332	0	42	-2.0	-85.38	391.48	5.24	-80.14
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000427333	0	36	-2.0	-85.23	355.93	4.50	-80.73
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000427334	0	35	-2.0	-98.26	337.45	1.56	-96.70
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000427335	0	37	-2.0	-90.60	349.92	4.62	-85.98
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000427336	0	34	-2.0	-90.69	348.44	4.36	-86.33
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000427337	0	37	-2.0	-96.34	337.77	4.47	-91.87
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000427338	0	37	-2.0	-98.50	352.57	4.48	-94.02
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000427339	0	37	-2.0	-88.31	343.14	4.60	-83.71
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000427340	0	40	-2.0	-101.66	360.61	4.90	-96.76
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000427341	0	36	-2.0	-99.01	354.29	4.93	-94.08
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000427342	0	34	-2.0	-87.94	339.47	3.96	-83.98
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000427343	0	40	-2.0	-100.56	361.26	5.24	-95.32
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000427344	0	37	-2.0	-97.64	353.05	4.53	-93.11
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000427345	0	37	-2.0	-96.16	359.49	4.97	-91.19
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000427346	0	37	-2.0	-104.24	352.77	4.52	-99.72
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000427347	0	40	-2.0	-100.65	362.05	5.02	-95.63
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000427348	0	41	-2.0	-100.50	378.20	3.96	-96.54
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000427349	0	37	-2.0	-89.72	353.99	5.02	-84.70
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000427350	0	37	-2.0	-96.95	358.96	4.79	-92.16
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000427351	0	38	-2.0	-99.03	355.67	4.04	-94.99
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000427352	0	46	-2.0	-98.44	392.64	6.68	-91.76
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000427353	0	37	-2.0	-93.80	361.50	4.90	-88.90
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000427354	0	37	-2.0	-87.97	343.74	4.38	-83.59
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000427355	0	39	-2.0	-92.01	370.99	6.05	-85.96
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000427356	0	37	-2.0	-97.99	347.26	4.67	-93.32
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000427357	0	36	-2.0	-107.30	351.48	5.70	-101.60
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000427358	0	34	-2.0	-103.73	331.36	3.86	-99.87
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000427359	0	37	-2.0	-92.21	352.69	4.51	-87.70
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000427360	0	40	-2.0	-106.84	368.77	5.95	-100.89
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000427361	0	33	-2.0	-95.38	324.72	1.89	-93.49
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000427362	0	38	-2.0	-91.60	355.94	3.64	-87.96
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000427363	0	31	-2.0	-87.66	327.83	2.81	-84.85
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000427364	0	41	-2.0	-93.92	373.86	5.72	-88.20
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000427365	0	41	-2.0	-97.09	371.82	5.70	-91.39
CCOC(=O)C1=NNC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000427366	0	37	-2.0	-93.26	349.85	3.83	-89.43
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=NN1	REAL300000427366	1	37	-2.0	-102.30	350.73	3.87	-98.43
O=C([O-])C1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000427372	0	35	-2.0	-110.43	316.02	6.47	-103.96
O=C([O-])C1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=CC=C1F	REAL300000427382	0	35	-2.0	-130.00	315.56	7.33	-122.67
O=C([O-])C1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300000427392	0	35	-2.0	-107.31	310.90	7.30	-100.01
O=C([O-])C1=CC=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427398	0	35	-2.0	-130.68	310.66	7.27	-123.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2CC1C(=O)[O-]	REAL300000427418	0	39	-2.0	-127.98	338.93	7.97	-120.01
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300000427419	0	39	-2.0	-104.93	342.42	8.60	-96.33
CC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000427423	0	38	-2.0	-124.21	333.13	8.82	-115.39
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427435	0	35	-2.0	-119.29	321.76	8.39	-110.90
O=C([O-])C1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=CC=C1Cl	REAL300000427436	0	35	-2.0	-127.26	323.54	7.70	-119.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1C	REAL300000427452	0	41	-2.0	-126.16	347.81	8.58	-117.58
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427456	0	35	-2.0	-118.23	317.16	7.93	-110.30
O=C([O-])CCC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300000427461	0	41	-2.0	-101.25	354.55	8.88	-92.37
O=C([O-])C1=CSC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427469	0	32	-2.0	-124.14	308.27	6.46	-117.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2CC1C(=O)[O-]	REAL300000427472	0	38	-2.0	-124.09	329.55	8.09	-116.00
O=C([O-])COC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300000427486	0	39	-2.0	-102.13	342.05	7.59	-94.54
CN1C=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000427518	0	36	-2.0	-119.17	323.73	7.65	-111.52
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2CC1C(=O)[O-]	REAL300000427522	0	39	-2.0	-124.11	337.96	6.13	-117.98
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427542	0	35	-2.0	-104.90	324.17	7.12	-97.78
CC1=CC(C)=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000427545	0	41	-2.0	-124.83	346.81	8.58	-116.25
O=C([O-])C1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=CS1	REAL300000427565	0	32	-2.0	-125.74	302.53	6.31	-119.43
COC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000427569	0	39	-2.0	-115.70	344.37	8.35	-107.35
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2CC1C(=O)[O-]	REAL300000427575	0	44	-2.0	-116.36	365.39	9.44	-106.92
CC1=CC=C([O-])C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427582	1	36	-2.0	-117.09	309.50	6.27	-110.82
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2CC1C(=O)[O-]	REAL300000427583	0	41	-2.0	-115.19	351.60	9.48	-105.71
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2CC1C(=O)[O-]	REAL300000427585	0	42	-2.0	-127.88	361.27	8.74	-119.14
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427586	0	37	-3.0	-185.87	345.50	8.84	-177.03
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427588	0	42	-2.0	-126.89	358.56	9.23	-117.66
CC1=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000427595	0	35	-2.0	-121.49	313.51	6.40	-115.09
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427609	0	39	-2.0	-111.03	338.53	6.63	-104.40
O=C([O-])C1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C(Cl)C=C1F	REAL300000427612	0	35	-2.0	-116.50	326.30	8.40	-108.10
CC1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300000427620	0	42	-2.0	-105.20	368.24	9.28	-95.92
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2CC1C(=O)[O-]	REAL300000427630	0	38	-2.0	-115.31	334.78	8.13	-107.18
O=C([O-])COC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1F	REAL300000427633	0	39	-2.0	-99.56	348.32	7.65	-91.91
CCOC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000427641	0	42	-2.0	-110.77	360.15	8.28	-102.49
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])S1	REAL300000427652	1	38	-2.0	-108.68	350.96	4.55	-104.13
CC1=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000427667	0	35	-2.0	-121.40	323.48	7.29	-114.11
O=C([O-])C1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C(Cl)=C1	REAL300000427710	0	35	-2.0	-103.92	326.61	8.07	-95.85
O=C([O-])C1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1F	REAL300000427711	0	35	-2.0	-105.80	321.61	8.33	-97.47
O=C([O-])C1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])S1	REAL300000427718	0	32	-2.0	-104.35	311.05	7.22	-97.13
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427720	0	35	-2.0	-112.79	323.49	8.35	-104.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1F	REAL300000427721	0	38	-2.0	-121.65	336.75	7.99	-113.66
O=C([O-])C1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C(F)=C1	REAL300000427724	0	35	-2.0	-104.50	316.45	7.35	-97.15
O=C([O-])C1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1Cl	REAL300000427725	0	35	-2.0	-103.14	329.58	8.69	-94.45
CC(=O)NC1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=CC=C1[O-]	REAL300000427733	1	40	-2.0	-113.88	351.48	4.67	-109.21
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2CC1C(=O)[O-]	REAL300000427736	0	38	-2.0	-116.75	343.48	8.52	-108.23
O=C([O-])C1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=CC(F)=C1F	REAL300000427744	0	35	-2.0	-101.67	327.91	8.38	-93.29
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427745	0	37	-2.0	-98.49	345.28	8.96	-89.53
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427758	0	35	-3.0	-199.35	317.11	6.77	-192.58
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427758	1	36	-2.0	-122.55	318.24	6.07	-116.48
O=C([O-])CC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300000427760	0	38	-2.0	-105.43	333.15	8.08	-97.35
O=C([O-])C1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=CC(Cl)=C1F	REAL300000427785	0	35	-2.0	-102.55	337.79	8.82	-93.73
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1C2=CC=CC=C2CC1C(=O)[O-]	REAL300000427791	0	38	-2.0	-110.59	324.88	7.92	-102.67
CC1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000427794	0	38	-2.0	-109.16	341.93	8.95	-100.21
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C2=CC=CC=C2CC1C(=O)[O-]	REAL300000427795	0	38	-2.0	-110.09	329.40	8.08	-102.01
CC1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000427800	0	41	-2.0	-126.58	354.58	9.49	-117.09
O=C([O-])C1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000427803	0	37	-2.0	-123.46	343.66	9.38	-114.08
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427806	0	35	-2.0	-111.05	322.75	7.41	-103.64
CC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000427812	0	41	-2.0	-118.84	355.38	9.39	-109.45
CC1=CC(F)=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000427813	0	38	-2.0	-119.13	333.20	8.46	-110.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1Cl	REAL300000427814	0	38	-2.0	-110.71	345.32	8.64	-102.07
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427815	0	38	-2.0	-112.41	336.07	7.98	-104.43
CCC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000427821	0	41	-2.0	-124.87	351.37	9.48	-115.39
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2CC1C(=O)[O-]	REAL300000427826	0	38	-2.0	-110.70	334.23	7.25	-103.45
COC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000427834	0	42	-2.0	-123.04	367.56	8.42	-114.62
COC1=CC=C([O-])C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000427836	1	37	-2.0	-119.34	318.20	5.48	-113.86
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1C2=CC=CC=C2CC1C(=O)[O-]	REAL300000427852	0	38	-2.0	-105.80	341.01	8.46	-97.34
CC1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300000427856	0	38	-2.0	-107.69	348.32	9.25	-98.44
CCN1C=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000427860	0	39	-2.0	-120.44	345.10	8.51	-111.93
CC1=C(Cl)C=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000427931	0	38	-2.0	-105.37	350.83	9.36	-96.01
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])S1	REAL300000427935	1	35	-2.0	-113.62	328.34	3.16	-110.46
CC1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000427973	0	38	-2.0	-104.03	333.08	8.83	-95.20
O=C([O-])C1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000428005	0	36	-2.0	-108.77	326.81	6.60	-102.17
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2CC1C(=O)[O-]	REAL300000428018	0	38	-2.0	-123.29	333.71	8.11	-115.18
O=C([O-])C1=CC=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300000428020	0	37	-2.0	-118.41	337.62	9.20	-109.21
O=C([O-])C1=CC=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1F	REAL300000428055	0	35	-2.0	-110.97	314.68	7.31	-103.66
CC1=C(F)C=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000428077	0	38	-2.0	-104.12	342.02	8.96	-95.16
O=C([O-])C1CC2=CC=CC=C2N1S(=O)(=O)C1=CC([O-])=CC(C(F)(F)F)=C1	REAL300000428086	1	36	-2.0	-103.41	334.80	6.65	-96.76
O=C([O-])C1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=CC2=CC=CC=C21	REAL300000428135	0	41	-2.0	-116.54	358.13	10.42	-106.12
O=C([O-])C1=CC=NC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300000428145	0	34	-2.0	-126.06	310.61	5.49	-120.57
O=C([O-])C1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000428163	0	33	-2.0	-111.82	295.15	6.26	-105.56
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C2=CC=CC=C2CC1C(=O)[O-]	REAL300000428180	0	39	-2.0	-111.67	338.26	7.40	-104.27
O=C([O-])C1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])=C(Cl)O1	REAL300000428185	0	32	-2.0	-113.41	309.16	6.15	-107.26
O=C([O-])C1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000428194	0	33	-2.0	-105.51	320.83	6.67	-98.84
O=C([O-])C1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000428322	0	33	-2.0	-101.36	316.85	6.30	-95.06
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])S1	REAL300000428337	1	41	-2.0	-108.89	371.25	5.38	-103.51
O=C([O-])C1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000428367	0	42	-2.0	-108.57	363.11	10.17	-98.40
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3C4=CC=CC=C4CC3C(=O)[O-])C=C2C1	REAL300000428379	0	42	-2.0	-112.26	362.53	10.17	-102.09
CCC1=C(S(=O)(=O)N2C3=CC=CC=C3CC2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000428389	0	38	-2.0	-121.55	327.96	6.85	-114.70
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)OCO2	REAL300000428395	1	41	-2.0	-89.18	368.13	3.01	-86.17
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C)OCO2	REAL300000428397	0	42	-2.0	-106.93	371.29	5.51	-101.42
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)OCO2	REAL300000428399	1	34	-2.0	-107.49	311.67	4.42	-103.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C)OCO2	REAL300000428400	0	38	-2.0	-113.71	339.81	4.22	-109.49
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)OCO2	REAL300000428401	1	38	-2.0	-95.19	343.12	5.71	-89.48
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)OCO2	REAL300000428403	0	34	-2.0	-103.85	324.74	4.99	-98.86
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)OCO2	REAL300000428404	1	34	-2.0	-103.68	324.18	4.81	-98.87
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C)OCO2	REAL300000428405	1	40	-2.0	-111.23	344.77	5.75	-105.48
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)OCO2	REAL300000428406	0	34	-2.0	-105.37	317.13	4.48	-100.89
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)OCO2	REAL300000428407	1	40	-2.0	-94.52	355.23	6.01	-88.51
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)OCO2	REAL300000428408	0	31	-2.0	-101.87	304.86	3.44	-98.43
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C)OCO2	REAL300000428409	1	37	-2.0	-109.37	327.10	5.20	-104.17
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)OCO2	REAL300000428411	1	35	-2.0	-105.84	318.31	3.78	-102.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2C)OCO3)=C1	REAL300000428413	0	34	-2.0	-98.22	320.78	4.09	-94.13
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)OCO2	REAL300000428415	0	31	-2.0	-103.60	303.32	3.45	-100.15
COC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C)OCO3)=CC(C(=O)[O-])=C1OC	REAL300000428416	1	42	-2.0	-107.73	369.99	4.23	-103.50
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC3=C1CCCC3)OCO2	REAL300000428418	1	44	-2.0	-113.20	366.90	7.06	-106.14
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C)OCO2	REAL300000428419	1	43	-2.0	-111.55	365.57	6.43	-105.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C)OCO2	REAL300000428420	1	40	-2.0	-107.90	341.14	6.14	-101.76
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C)OCO2	REAL300000428421	0	41	-2.0	-113.48	362.10	4.99	-108.49
CC1=CC2=C(C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)OCO2	REAL300000428422	0	37	-2.0	-113.56	338.59	4.93	-108.63
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)OCO2	REAL300000428422	1	36	-3.0	-182.10	340.07	4.98	-177.12
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC3=C1CCC3)OCO2	REAL300000428423	1	41	-2.0	-113.45	355.91	6.32	-107.13
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)OCO3)C=C(C(=O)[O-])O1	REAL300000428424	0	34	-2.0	-102.14	314.67	3.55	-98.59
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC3=C(OCCO3)C(C(=O)[O-])=C1)OCO2	REAL300000428425	1	40	-2.0	-112.20	353.83	4.19	-108.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)OCO3)=C1	REAL300000428426	0	38	-2.0	-107.75	340.58	3.51	-104.24
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)OCO2	REAL300000428428	0	34	-2.0	-100.53	329.26	5.01	-95.52
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C)OCO2	REAL300000428431	1	37	-2.0	-99.80	332.38	5.24	-94.56
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)OCO2	REAL300000428432	1	38	-2.0	-93.34	348.96	4.77	-88.57
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)OCO3)C=C(C(=O)[O-])S1	REAL300000428434	1	34	-2.0	-105.77	320.29	4.31	-101.46
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)OCO2	REAL300000428435	0	34	-2.0	-92.80	324.72	4.99	-87.81
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)OCO2	REAL300000428436	1	34	-2.0	-94.83	316.18	4.46	-90.37
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)OCO2	REAL300000428437	0	31	-2.0	-96.99	303.92	3.55	-93.44
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)OCO2	REAL300000428438	1	34	-2.0	-98.69	318.07	4.49	-94.20
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)OCO2	REAL300000428439	0	37	-2.0	-106.77	337.43	5.12	-101.65
COC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C)OCO3)=C(Cl)C=C1C(=O)[O-]	REAL300000428440	0	38	-2.0	-97.36	351.98	5.04	-92.32
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)OCO2	REAL300000428441	0	34	-2.0	-94.59	317.13	4.49	-90.10
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)OCO2	REAL300000428442	1	34	-2.0	-92.86	324.15	4.82	-88.04
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)OCO2	REAL300000428443	1	37	-2.0	-101.50	341.11	5.61	-95.89
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1)OCO2	REAL300000428444	1	42	-2.0	-92.09	375.40	5.83	-86.26
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1)OCO2	REAL300000428445	1	34	-2.0	-96.63	322.49	4.51	-92.12
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)OCO2	REAL300000428446	1	36	-2.0	-92.64	339.85	5.09	-87.55
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)OCO2	REAL300000428447	0	35	-2.0	-108.61	321.39	2.13	-106.48
CC1=CC2=C(C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])OCO2	REAL300000428447	1	35	-2.0	-107.66	318.79	2.96	-104.70
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)OCO2	REAL300000428448	1	37	-2.0	-99.41	333.83	5.20	-94.21
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)OCO2	REAL300000428449	1	34	-2.0	-97.98	332.37	4.95	-93.03
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)OCO2	REAL300000428450	1	37	-2.0	-103.28	321.70	5.07	-98.21
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)OCO2	REAL300000428454	0	36	-2.0	-106.19	338.22	5.51	-100.68
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)OCO2	REAL300000428455	0	34	-2.0	-96.88	323.40	4.55	-92.33
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F)OCO2	REAL300000428457	0	37	-2.0	-107.68	336.98	5.11	-102.57
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl)OCO2	REAL300000428458	0	37	-2.0	-105.51	343.43	5.56	-99.95
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)OCO3)=C1	REAL300000428459	0	37	-2.0	-111.74	336.68	5.11	-106.63
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C)OCO2	REAL300000428462	1	37	-2.0	-96.77	337.93	5.60	-91.17
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1)OCO2	REAL300000428463	1	37	-2.0	-105.46	342.89	5.38	-100.08
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)OCO3)C=C1C(=O)[O-]	REAL300000428464	1	38	-2.0	-107.09	339.69	4.63	-102.46
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1)OCO2	REAL300000428466	1	37	-2.0	-100.81	341.53	5.39	-95.42
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1)OCO2	REAL300000428467	1	43	-2.0	-105.30	361.10	6.55	-98.75
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)OCO3)C=C1C(=O)[O-]	REAL300000428468	1	38	-2.0	-109.39	351.99	5.05	-104.34
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-])OCO2	REAL300000428470	0	39	-2.0	-100.13	354.92	6.61	-93.52
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])OCO2	REAL300000428472	0	36	-2.0	-114.21	335.41	6.28	-107.93
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)OCO2	REAL300000428473	0	34	-2.0	-111.02	315.30	4.45	-106.57
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1)OCO2	REAL300000428474	1	37	-2.0	-99.16	332.83	4.99	-94.17
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC3=CC=CC=C3C(C(=O)[O-])=C1)OCO2	REAL300000428475	1	40	-2.0	-116.02	352.71	6.54	-109.48
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)OCO2	REAL300000428476	0	33	-2.0	-105.74	308.65	2.48	-103.26
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C)OCO2	REAL300000428477	0	38	-2.0	-99.52	339.87	4.21	-95.31
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)OCO2	REAL300000428478	0	31	-2.0	-95.75	311.77	3.39	-92.36
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C3(C(=O)[O-])CC3)C=C1)OCO2	REAL300000428479	1	41	-2.0	-102.17	357.79	6.31	-95.86
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3CC(C(=O)[O-])CC3=C1)OCO2	REAL300000428480	1	41	-2.0	-103.86	355.75	6.28	-97.58
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)OCO3)C=C(C(=O)[O-])O1	REAL300000428481	0	37	-2.0	-102.14	333.80	4.41	-97.73
N#CC1=C(F)C=CC=C1N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000428482	0	36	-2.0	-124.71	351.38	7.62	-117.09
N#CC1=C(F)C=CC=C1N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000428483	0	36	-2.0	-139.24	351.40	7.61	-131.63
N#CC1=C(F)C=CC=C1N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000428484	0	33	-2.0	-132.72	344.59	6.64	-126.08
CN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC(F)=C3C#N)C=C2)C=C1C(=O)[O-]	REAL300000428485	0	37	-2.0	-137.01	358.05	6.97	-130.04
N#CC1=C(F)C=CC=C1N1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000428486	0	33	-2.0	-134.19	343.06	6.64	-127.55
CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC(F)=C3C#N)C=C2)C=C(C(=O)[O-])O1	REAL300000428487	0	36	-2.0	-133.02	354.41	6.76	-126.26
N#CC1=C(F)C=CC=C1N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000428488	0	33	-2.0	-126.90	343.66	6.75	-120.15
N#CC1=C(F)C=CC=C1N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000428489	0	35	-2.0	-138.94	348.39	5.67	-133.27
N#CC1=CC(F)=CC=C1N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000428490	0	36	-2.0	-117.20	351.89	7.66	-109.54
N#CC1=CC(F)=CC=C1N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000428491	0	36	-2.0	-131.25	351.90	7.65	-123.60
N#CC1=CC(F)=CC=C1N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000428492	0	33	-2.0	-124.91	345.09	6.68	-118.23
CN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=C3C#N)C=C2)C=C1C(=O)[O-]	REAL300000428493	0	37	-2.0	-129.14	358.55	7.01	-122.13
N#CC1=CC(F)=CC=C1N1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000428494	0	33	-2.0	-126.35	343.55	6.67	-119.68
CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=C3C#N)C=C2)C=C(C(=O)[O-])O1	REAL300000428495	0	36	-2.0	-125.15	354.89	6.80	-118.35
N#CC1=CC(F)=CC=C1N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000428496	0	33	-2.0	-119.31	344.15	6.78	-112.53
N#CC1=CC(F)=CC=C1N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000428497	0	35	-2.0	-130.74	348.89	5.71	-125.03
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000428498	1	40	-2.0	-111.16	370.14	7.45	-103.71
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000428500	1	40	-2.0	-112.61	365.60	7.43	-105.18
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCOC(C)=O)=C1	REAL300000428501	0	44	-2.0	-118.12	393.72	7.22	-110.90
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000428502	1	44	-2.0	-100.03	397.07	8.72	-91.31
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000428504	0	40	-2.0	-108.13	378.67	7.99	-100.14
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000428505	1	40	-2.0	-109.63	378.11	7.82	-101.81
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000428506	1	46	-2.0	-115.36	398.27	8.76	-106.60
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000428507	0	40	-2.0	-110.08	371.08	7.48	-102.60
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000428508	1	46	-2.0	-99.16	409.18	9.00	-90.16
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000428509	0	37	-2.0	-106.96	358.76	6.43	-100.53
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000428510	1	43	-2.0	-113.24	381.03	8.20	-105.04
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000428512	1	41	-2.0	-111.02	372.24	6.76	-104.26
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000428514	0	40	-2.0	-103.73	374.71	7.09	-96.64
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000428516	0	37	-2.0	-108.33	357.23	6.45	-101.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCOC(C)=O)=C1	REAL300000428518	1	46	-2.0	-111.35	395.73	9.13	-102.22
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000428519	0	40	-2.0	-106.33	368.61	6.55	-99.78
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000428520	0	44	-2.0	-114.81	394.58	6.51	-108.30
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000428521	1	43	-2.0	-103.85	386.31	8.24	-95.61
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000428522	1	40	-2.0	-109.75	374.19	7.31	-102.44
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000428523	0	40	-2.0	-97.97	378.65	7.98	-89.99
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000428524	1	40	-2.0	-99.73	370.12	7.46	-92.27
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000428525	0	37	-2.0	-102.40	357.87	6.55	-95.85
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000428526	1	40	-2.0	-103.44	372.01	7.48	-95.96
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000428527	0	43	-2.0	-111.49	391.36	8.11	-103.38
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000428528	0	40	-2.0	-100.17	371.04	7.49	-92.68
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000428529	1	40	-2.0	-97.98	378.07	7.82	-90.16
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000428530	1	40	-2.0	-101.40	376.42	7.51	-93.89
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000428531	0	41	-2.0	-112.28	375.29	5.12	-107.16
CC(=O)OCCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000428531	1	41	-2.0	-109.09	374.40	6.00	-103.09
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000428532	1	43	-2.0	-103.94	387.78	8.20	-95.74
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000428533	1	43	-2.0	-109.95	375.66	8.06	-101.89
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000428534	1	43	-2.0	-111.35	390.43	8.07	-103.28
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000428537	0	40	-2.0	-101.70	377.36	7.55	-94.15
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000428539	0	43	-2.0	-112.34	390.91	8.11	-104.23
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000428540	0	43	-2.0	-119.10	390.63	8.11	-110.99
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCOC(C)=O)=C2)C=C1C(=O)[O-]	REAL300000428541	1	46	-2.0	-115.99	399.86	8.60	-107.39
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCOC(C)=O)=C2)C=C1C(=O)[O-]	REAL300000428542	1	44	-2.0	-113.48	393.71	7.63	-105.85
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000428545	0	40	-2.0	-118.20	369.26	7.46	-110.74
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000428546	1	43	-2.0	-105.33	386.76	7.98	-97.35
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000428547	0	39	-2.0	-110.51	361.82	5.56	-104.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCOC(C)=O)=C1	REAL300000428548	0	44	-2.0	-104.65	393.79	7.23	-97.42
CC(=O)OCCC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000428549	0	37	-2.0	-100.34	365.74	6.41	-93.93
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CCOC(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000428550	0	43	-2.0	-106.24	387.71	7.40	-98.84
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)=N1	REAL300000428551	1	37	-2.0	-114.00	348.37	7.15	-106.85
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=N1	REAL300000428552	1	37	-2.0	-103.87	343.81	7.12	-96.75
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000428553	1	37	-2.0	-116.65	343.82	7.12	-109.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN(C)C=N2)=C1	REAL300000428554	0	41	-2.0	-121.71	371.96	6.91	-114.80
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)=N1	REAL300000428555	1	41	-2.0	-103.36	375.29	8.41	-94.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)C=C1C(=O)[O-]	REAL300000428556	1	40	-2.0	-117.80	359.84	7.65	-110.15
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C2)=N1	REAL300000428557	0	37	-2.0	-111.78	356.89	7.69	-104.09
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2)=N1	REAL300000428558	1	37	-2.0	-112.43	356.35	7.51	-104.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)=C1C	REAL300000428559	1	43	-2.0	-118.77	376.21	8.43	-110.34
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)=N1	REAL300000428560	0	37	-2.0	-113.49	349.30	7.18	-106.31
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2)=N1	REAL300000428561	1	43	-2.0	-102.56	387.40	8.71	-93.85
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=N1	REAL300000428562	0	34	-2.0	-110.75	337.00	6.13	-104.62
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN(C)C=N2)=C1	REAL300000428563	1	40	-2.0	-116.92	359.25	7.91	-109.01
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2)=N1	REAL300000428564	1	41	-2.0	-102.03	374.91	7.40	-94.63
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000428565	0	38	-2.0	-115.01	350.47	6.46	-108.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)=C1	REAL300000428567	0	37	-2.0	-106.74	352.94	6.80	-99.94
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)C=C1C(=O)[O-]	REAL300000428568	1	43	-2.0	-118.47	374.89	8.46	-110.01
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=N1	REAL300000428569	0	34	-2.0	-112.21	335.47	6.15	-106.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)C=C1C(=O)[O-]	REAL300000428570	1	41	-2.0	-122.44	371.11	7.18	-115.26
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN(C)C=N2)=C1	REAL300000428571	1	43	-2.0	-115.03	373.96	8.84	-106.19
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C2)=N1	REAL300000428572	1	44	-2.0	-121.07	388.06	9.01	-112.06
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)C=C(C(=O)[O-])O1	REAL300000428573	0	37	-2.0	-109.87	346.82	6.26	-103.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)=C1	REAL300000428574	0	41	-2.0	-117.82	372.80	6.20	-111.62
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN(C)C=N2)=C1	REAL300000428575	1	40	-2.0	-107.39	364.53	7.93	-99.46
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)C=C(C(=O)[O-])S1	REAL300000428576	0	37	-2.0	-113.10	353.51	7.01	-106.09
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2)=N1	REAL300000428577	0	37	-2.0	-101.51	356.87	7.68	-93.83
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)=N1	REAL300000428578	1	37	-2.0	-103.38	348.34	7.16	-96.22
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=N1	REAL300000428579	0	34	-2.0	-105.62	336.09	6.25	-99.37
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000428580	1	37	-2.0	-107.31	350.22	7.18	-100.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)=C1F	REAL300000428581	0	40	-2.0	-114.98	369.57	7.82	-107.16
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)=N1	REAL300000428582	0	37	-2.0	-103.48	349.28	7.19	-96.29
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2)=N1	REAL300000428583	1	37	-2.0	-101.43	356.31	7.52	-93.91
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C2)=N1	REAL300000428584	1	37	-2.0	-105.49	354.64	7.21	-98.28
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)=N1	REAL300000428585	0	38	-2.0	-115.55	353.52	4.84	-110.71
CN1C=NC(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)=N1	REAL300000428585	1	38	-2.0	-112.17	342.55	5.71	-106.46
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)=N1	REAL300000428586	1	40	-2.0	-107.18	366.00	7.90	-99.28
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN(C)C=N2)=C1	REAL300000428587	1	40	-2.0	-113.27	353.88	7.75	-105.52
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)=CC(C(=O)[O-])=C1F	REAL300000428588	1	40	-2.0	-115.35	368.67	7.77	-107.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)=CC(C(=O)[O-])=C1C	REAL300000428590	1	43	-2.0	-119.69	376.70	8.19	-111.50
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2)=N1	REAL300000428591	0	37	-2.0	-105.15	355.57	7.24	-97.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)C=C1C(=O)[O-]	REAL300000428593	0	40	-2.0	-115.79	369.13	7.81	-107.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)=C1	REAL300000428594	0	40	-2.0	-122.15	368.83	7.81	-114.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)C=C1C(=O)[O-]	REAL300000428595	1	43	-2.0	-118.55	378.06	8.30	-110.25
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)C=C1C(=O)[O-]	REAL300000428596	0	41	-2.0	-116.29	371.84	7.33	-108.96
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)=CC=C1C(=O)[O-]	REAL300000428597	1	40	-2.0	-104.05	359.82	7.66	-96.39
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN(C)C=N2)=C1	REAL300000428598	1	40	-2.0	-114.45	363.35	7.96	-106.49
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)=N1	REAL300000428599	0	37	-2.0	-121.35	347.48	7.16	-114.19
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)C=C1C(=O)[O-]	REAL300000428600	1	40	-2.0	-109.17	368.76	7.79	-101.38
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=N1	REAL300000428601	0	36	-2.0	-113.13	340.80	5.17	-107.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN(C)C=N2)=C1	REAL300000428602	0	41	-2.0	-108.12	372.02	6.91	-101.21
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)=N1	REAL300000428603	0	34	-2.0	-103.87	343.96	6.09	-97.78
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C2)=N1	REAL300000428604	1	44	-2.0	-110.22	389.94	9.00	-101.22
CN1C=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C2)=N1	REAL300000428605	1	44	-2.0	-114.70	389.26	9.00	-105.70
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN(C)C=N3)=C2)C=C(C(=O)[O-])O1	REAL300000428606	0	40	-2.0	-109.55	365.95	7.11	-102.44
CCCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=CC=C1	REAL300000428607	0	44	-2.0	-100.77	389.85	8.07	-92.70
CCCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000428608	0	44	-2.0	-113.98	389.76	8.06	-105.92
CCCC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000428609	0	47	-2.0	-114.43	405.39	8.57	-105.86
CCCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C1=CC=CC=C1	REAL300000428610	0	41	-2.0	-107.52	383.05	7.08	-100.44
CCCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NN1C1=CC=CC=C1	REAL300000428611	0	47	-2.0	-114.46	405.29	8.83	-105.63
CCCC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000428612	0	45	-2.0	-112.22	396.43	7.41	-104.81
CCCC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000428613	0	41	-2.0	-109.41	381.45	7.09	-102.32
CCCC1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000428614	0	44	-2.0	-107.86	392.79	7.20	-100.66
CCCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1=CC=CC=C1	REAL300000428615	0	41	-2.0	-102.61	382.12	7.17	-95.44
CCCC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1C1=CC=CC=C1	REAL300000428616	0	47	-2.0	-104.62	412.04	8.83	-95.79
CCCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NN1C1=CC=CC=C1	REAL300000428617	0	47	-2.0	-109.45	400.15	8.67	-100.78
CCCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NN1C1=CC=CC=C1	REAL300000428618	0	47	-2.0	-100.76	405.24	8.83	-91.93
CCCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C1=CC=CC=C1	REAL300000428619	0	47	-2.0	-100.96	405.37	8.59	-92.37
CCCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1C1=CC=CC=C1	REAL300000428620	0	43	-2.0	-111.45	386.03	6.18	-105.27
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000428621	1	38	-2.0	-97.18	354.97	6.17	-91.01
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000428622	1	38	-2.0	-87.85	350.33	6.15	-81.70
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000428623	1	38	-2.0	-99.79	350.44	6.14	-93.65
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000428624	1	42	-2.0	-87.94	381.81	7.44	-80.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000428625	1	41	-2.0	-100.20	366.36	6.68	-93.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)C)C(F)=C2)=C1C	REAL300000428626	1	44	-2.0	-103.31	383.00	7.49	-95.82
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000428627	0	38	-2.0	-96.59	355.83	6.21	-90.38
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000428628	1	44	-2.0	-87.02	393.91	7.74	-79.28
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000428629	0	35	-2.0	-93.86	343.53	5.16	-88.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(OC(C)C)C(F)=C1	REAL300000428630	1	41	-2.0	-101.29	365.78	6.93	-94.36
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000428631	0	39	-2.0	-98.23	356.97	5.50	-92.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)C)C(F)=C2)=C1	REAL300000428632	0	38	-2.0	-90.15	359.45	5.82	-84.33
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000428633	1	44	-2.0	-102.65	381.41	7.49	-95.16
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000428634	0	35	-2.0	-95.33	342.08	5.18	-90.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(OC(C)C)C(F)=C1	REAL300000428635	1	44	-2.0	-100.16	380.47	7.87	-92.29
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)C)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000428636	0	38	-2.0	-94.37	353.36	5.28	-89.09
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)C)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000428637	0	38	-2.0	-97.82	358.97	6.04	-91.78
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000428638	1	38	-2.0	-87.61	354.86	6.18	-81.43
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000428639	0	35	-2.0	-89.33	342.62	5.27	-84.06
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000428640	1	38	-2.0	-90.90	356.75	6.20	-84.70
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000428641	0	38	-2.0	-86.94	355.77	6.22	-80.72
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000428642	0	39	-2.0	-100.19	360.06	3.85	-96.34
CC(C)OC1=C(F)C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000428642	1	39	-2.0	-102.76	359.25	4.65	-98.11
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000428643	1	41	-2.0	-91.21	372.60	6.93	-84.28
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC(C)C)C(F)=C1	REAL300000428644	1	41	-2.0	-96.79	364.18	6.88	-89.91
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC(C)C)C(F)=C1	REAL300000428645	1	41	-2.0	-88.42	365.76	6.92	-81.50
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)C)C(F)=C2)=CC(C(=O)[O-])=C1C	REAL300000428646	1	44	-2.0	-102.50	383.22	7.20	-95.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)C)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000428647	1	44	-2.0	-99.94	383.74	7.55	-92.39
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000428648	1	44	-2.0	-100.89	384.31	7.32	-93.57
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000428649	0	42	-2.0	-99.44	378.29	6.36	-93.08
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)C)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000428650	1	41	-2.0	-89.38	370.42	6.79	-82.59
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000428651	0	38	-2.0	-102.91	354.00	6.18	-96.73
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000428652	0	37	-2.0	-96.96	347.35	4.20	-92.76
CC(C)OC1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000428653	0	35	-2.0	-88.13	350.49	5.12	-83.01
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(C)C)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000428654	0	41	-2.0	-94.46	372.46	6.13	-88.33
COC(=O)COC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000428671	0	42	-2.0	-109.65	369.05	5.92	-103.73
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000428680	0	40	-2.0	-90.72	362.63	0.04	-90.68
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000428681	1	33	-2.0	-107.26	310.71	1.48	-105.78
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000428682	0	41	-2.0	-108.24	365.79	2.54	-105.70
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000428683	1	33	-2.0	-96.88	306.16	1.46	-95.42
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000428684	1	33	-2.0	-108.95	306.17	1.45	-107.50
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000428685	0	37	-2.0	-115.18	334.32	1.25	-113.93
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000428686	1	37	-2.0	-96.74	337.62	2.75	-93.99
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000428687	1	36	-2.0	-110.15	322.19	1.98	-108.17
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000428688	0	33	-2.0	-105.20	319.24	2.02	-103.18
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000428689	1	33	-2.0	-105.68	318.68	1.84	-103.84
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000428690	0	33	-2.0	-100.82	331.75	2.40	-98.42
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000428691	1	39	-2.0	-112.78	338.85	2.80	-109.98
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000428692	0	33	-2.0	-106.84	311.65	1.51	-105.33
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000428693	1	39	-2.0	-95.87	349.74	3.04	-92.83
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000428694	0	30	-2.0	-103.89	299.36	0.46	-103.43
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000428695	1	36	-2.0	-110.59	321.61	2.23	-108.36
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000428696	1	37	-2.0	-95.32	337.24	1.73	-93.59
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000428697	0	34	-2.0	-107.43	312.82	0.80	-106.63
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000428698	1	37	-2.0	-111.03	330.38	0.27	-110.76
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000428699	0	33	-2.0	-99.61	315.28	1.13	-98.48
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000428700	1	39	-2.0	-111.81	337.63	2.78	-109.03
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000428701	0	30	-2.0	-105.45	297.82	0.48	-104.97
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000428702	1	41	-2.0	-109.29	364.49	1.26	-108.03
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000428703	1	37	-2.0	-115.75	333.45	1.52	-114.23
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000428704	1	43	-2.0	-113.58	361.41	4.08	-109.50
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000428705	1	42	-2.0	-112.91	360.07	3.45	-109.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(OC)=C1	REAL300000428706	1	39	-2.0	-108.96	336.31	3.17	-105.79
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000428707	0	40	-2.0	-114.74	356.60	2.01	-112.73
COC1=CC(O)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000428708	0	36	-2.0	-112.91	341.10	1.89	-111.02
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000428708	1	35	-3.0	-184.33	334.58	2.00	-182.33
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000428709	1	40	-2.0	-114.84	350.42	3.35	-111.49
COC1=CC(O)=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000428710	0	33	-2.0	-103.43	309.18	0.60	-102.83
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000428711	1	39	-2.0	-114.51	348.34	1.22	-113.29
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000428712	0	37	-2.0	-110.16	335.16	0.54	-109.62
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000428713	1	41	-2.0	-96.37	359.81	2.07	-94.30
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000428714	1	33	-2.0	-98.52	333.85	2.30	-96.22
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000428715	0	33	-2.0	-101.85	323.76	2.04	-99.81
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000428716	1	37	-2.0	-93.90	353.27	2.27	-91.63
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000428717	1	40	-2.0	-95.81	357.32	2.44	-93.37
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000428718	1	43	-2.0	-94.72	385.91	2.70	-92.02
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000428719	1	36	-2.0	-101.07	326.88	2.27	-98.80
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1	REAL300000428720	1	46	-2.0	-95.83	399.76	3.37	-92.46
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000428721	1	37	-2.0	-94.87	343.47	1.80	-93.07
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(OC)=C2)C=C1C(=O)[O-]	REAL300000428722	1	40	-2.0	-115.36	355.31	2.43	-112.93
COC1=CC(O)=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000428723	0	33	-2.0	-106.95	314.77	1.35	-105.60
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000428724	0	33	-2.0	-98.89	334.39	2.47	-96.42
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000428725	0	33	-2.0	-94.45	319.22	2.01	-92.44
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000428726	1	33	-2.0	-96.45	310.69	1.49	-94.96
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000428727	0	30	-2.0	-98.51	298.45	0.58	-97.93
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000428728	0	33	-2.0	-100.55	312.58	1.52	-99.03
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000428729	0	36	-2.0	-108.25	331.94	2.15	-106.10
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000428730	0	37	-2.0	-99.04	346.48	2.08	-96.96
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000428731	0	33	-2.0	-96.24	311.63	1.52	-94.72
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000428732	1	33	-2.0	-94.49	318.66	1.85	-92.64
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000428733	1	36	-2.0	-102.74	335.62	2.65	-100.09
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000428734	0	41	-2.0	-93.29	369.92	2.86	-90.43
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000428735	1	33	-2.0	-97.98	316.99	1.54	-96.44
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000428736	0	35	-2.0	-94.09	334.36	2.12	-91.97
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000428737	0	34	-2.0	-109.32	315.89	-0.85	-110.17
COC1=CC(O)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000428737	1	34	-2.0	-107.32	304.91	0.04	-107.28
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000428738	1	36	-2.0	-100.37	328.34	2.24	-98.13
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000428739	1	33	-2.0	-99.42	326.88	1.98	-97.44
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000428740	1	36	-2.0	-105.37	316.22	2.09	-103.28
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000428741	1	36	-2.0	-108.64	331.01	2.10	-106.54
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000428742	1	36	-2.0	-97.15	321.58	2.23	-94.92
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000428743	1	39	-2.0	-113.45	342.97	2.62	-110.83
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000428744	0	35	-2.0	-108.17	332.73	2.55	-105.62
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000428745	0	33	-2.0	-98.36	317.93	1.58	-96.78
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000428746	1	39	-2.0	-109.66	340.65	2.85	-106.81
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000428747	0	36	-2.0	-109.10	331.49	2.15	-106.95
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000428748	0	36	-2.0	-106.98	337.92	2.59	-104.39
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000428749	0	36	-2.0	-113.94	331.21	2.14	-111.80
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(OC)=C2)C=C1C(=O)[O-]	REAL300000428750	1	39	-2.0	-111.83	340.11	2.64	-109.19
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000428751	1	40	-2.0	-110.58	356.64	1.58	-109.00
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000428752	1	36	-2.0	-98.67	332.44	2.63	-96.04
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000428753	1	36	-2.0	-93.53	336.29	2.26	-91.27
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000428754	1	36	-2.0	-107.42	337.39	2.41	-105.01
CCN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(OC)=C2)C=C1C(=O)[O-]	REAL300000428755	0	37	-2.0	-108.68	334.19	1.66	-107.02
COC1=CC(O)=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000428756	1	45	-2.0	-109.95	371.32	4.32	-105.63
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000428757	0	33	-2.0	-97.02	331.76	2.01	-95.01
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000428758	1	36	-2.0	-103.46	339.91	2.52	-100.94
COC1=CC(O)=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000428759	0	42	-2.0	-106.84	355.61	3.58	-103.26
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000428760	0	37	-2.0	-110.79	346.50	2.08	-108.71
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000428761	1	36	-2.0	-97.00	322.18	1.99	-95.01
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000428762	0	38	-2.0	-102.33	349.44	3.64	-98.69
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000428763	1	36	-2.0	-107.96	326.13	2.27	-105.69
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000428764	0	35	-2.0	-116.28	329.92	3.30	-112.98
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000428765	0	33	-2.0	-113.24	309.83	1.49	-111.75
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000428766	1	36	-2.0	-101.69	331.11	2.13	-99.56
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000428767	1	39	-2.0	-118.31	347.21	3.57	-114.74
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000428768	0	32	-2.0	-107.33	302.39	-0.43	-107.76
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000428769	0	37	-2.0	-101.18	334.38	1.24	-99.94
COC1=CC(O)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000428770	0	30	-2.0	-97.10	306.32	0.43	-96.67
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000428771	1	40	-2.0	-103.72	352.30	3.34	-100.38
COC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000428772	1	40	-2.0	-107.24	351.62	3.34	-103.90
CCC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(OC)=C2)C=C(C(=O)[O-])O1	REAL300000428773	0	36	-2.0	-103.28	328.31	1.45	-101.83
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1	REAL300000428774	0	38	-2.0	-90.20	348.26	2.26	-87.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC=C1F	REAL300000428775	0	31	-2.0	-106.24	296.35	3.70	-102.54
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCO2	REAL300000428776	0	39	-2.0	-107.18	351.42	4.76	-102.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1	REAL300000428777	0	31	-2.0	-96.71	291.79	3.68	-93.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428778	0	31	-2.0	-109.43	291.81	3.67	-105.76
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCO2	REAL300000428779	0	35	-2.0	-113.99	319.94	3.47	-110.52
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1	REAL300000428780	0	35	-2.0	-96.11	323.26	4.97	-91.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000428781	0	34	-2.0	-109.94	307.82	4.21	-105.73
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428782	0	31	-2.0	-104.08	304.88	4.22	-99.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC=C1Cl	REAL300000428783	0	31	-2.0	-104.66	304.32	4.06	-100.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C(Cl)C=C1Cl	REAL300000428784	0	31	-2.0	-99.76	317.37	4.62	-95.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1C	REAL300000428785	0	37	-2.0	-111.15	324.19	4.97	-106.18
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428786	0	31	-2.0	-105.91	297.27	3.73	-102.18
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1	REAL300000428787	0	37	-2.0	-95.31	335.38	5.26	-90.05
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428788	0	28	-2.0	-103.80	284.99	2.69	-101.11
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCO2	REAL300000428789	0	34	-2.0	-109.29	307.24	4.44	-104.85
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1	REAL300000428790	0	35	-2.0	-94.88	322.87	3.96	-90.92
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000428791	0	32	-2.0	-107.74	298.45	3.01	-104.73
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCO2	REAL300000428792	0	35	-2.0	-109.93	315.58	2.51	-107.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428793	0	31	-2.0	-99.51	300.91	3.35	-96.16
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000428794	0	37	-2.0	-111.93	327.25	5.08	-106.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CS1	REAL300000428795	0	28	-2.0	-105.24	283.46	2.70	-102.54
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC(C(=O)[O-])=C1OC	REAL300000428796	0	39	-2.0	-109.75	350.14	3.48	-106.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000428797	0	35	-2.0	-115.38	319.10	3.74	-111.64
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428798	0	41	-2.0	-113.30	347.03	6.30	-107.00
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCO2	REAL300000428799	0	40	-2.0	-111.42	345.70	5.67	-105.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCO2	REAL300000428800	0	37	-2.0	-107.20	321.92	5.39	-101.81
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCO2	REAL300000428801	0	38	-2.0	-113.39	342.23	4.23	-109.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC(C(=O)[O-])=C1	REAL300000428802	0	33	-3.0	-184.60	320.21	4.24	-180.36
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2OCO3)=CC(C(=O)[O-])=C1	REAL300000428802	1	34	-2.0	-107.26	320.55	4.15	-103.11
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428803	0	38	-2.0	-113.62	336.05	5.57	-108.05
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C(C(=O)[O-])O1	REAL300000428804	0	31	-2.0	-102.65	294.84	2.81	-99.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC2=C1OCCO2	REAL300000428805	0	37	-2.0	-113.78	333.98	3.44	-110.34
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428806	0	35	-2.0	-110.75	320.72	2.76	-107.99
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OCO4)C=C2C1	REAL300000428807	0	39	-2.0	-96.40	345.44	4.27	-92.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC(Cl)=C1Cl	REAL300000428808	0	31	-2.0	-99.03	319.49	4.52	-94.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C(Cl)C=C1F	REAL300000428809	0	31	-2.0	-100.81	309.40	4.25	-96.56
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1Cl	REAL300000428810	0	35	-2.0	-93.41	338.91	4.50	-88.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC=C1OCC(=O)[O-]	REAL300000428811	0	38	-2.0	-95.34	342.97	4.66	-90.68
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1F	REAL300000428812	0	41	-2.0	-94.09	371.56	4.92	-89.17
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCO2	REAL300000428813	0	34	-2.0	-100.32	312.10	4.50	-95.82
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC=C1OCCCC(=O)[O-]	REAL300000428814	0	44	-2.0	-95.35	385.42	5.59	-89.76
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1F	REAL300000428815	0	35	-2.0	-94.33	329.11	4.02	-90.31
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000428816	0	38	-2.0	-115.37	340.95	4.65	-110.72
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C(C(=O)[O-])S1	REAL300000428817	0	31	-2.0	-105.76	301.49	3.56	-102.20
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428818	0	31	-2.0	-97.99	320.03	4.68	-93.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C(Cl)=C1	REAL300000428819	0	31	-2.0	-94.14	304.85	4.23	-89.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1F	REAL300000428820	0	31	-2.0	-96.22	296.34	3.71	-92.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)S1	REAL300000428821	0	28	-2.0	-98.41	284.06	2.79	-95.62
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428822	0	31	-2.0	-99.74	298.22	3.74	-96.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1F	REAL300000428823	0	34	-2.0	-107.38	317.56	4.37	-103.01
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C(Cl)C=C1C(=O)[O-]	REAL300000428824	0	35	-2.0	-98.82	332.11	4.29	-94.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C(F)=C1	REAL300000428825	0	31	-2.0	-96.16	297.27	3.74	-92.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1Cl	REAL300000428826	0	31	-2.0	-94.25	304.31	4.07	-90.18
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCO2	REAL300000428827	0	34	-2.0	-101.96	320.83	4.88	-97.08
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1	REAL300000428828	0	39	-2.0	-92.91	355.55	5.08	-87.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC(F)=C1F	REAL300000428829	0	31	-2.0	-98.43	302.63	3.76	-94.67
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428830	0	33	-2.0	-94.37	319.99	4.34	-90.03
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428831	0	32	-2.0	-107.73	301.51	1.39	-106.34
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1	REAL300000428832	0	34	-2.0	-99.85	313.98	4.46	-95.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC(Cl)=C1F	REAL300000428833	0	31	-2.0	-99.83	312.52	4.20	-95.63
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCO2	REAL300000428834	0	34	-2.0	-105.52	301.84	4.30	-101.22
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC(C(=O)[O-])=C1F	REAL300000428835	0	34	-2.0	-107.61	316.65	4.32	-103.29
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCO2	REAL300000428836	0	34	-2.0	-96.73	307.21	4.44	-92.29
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC(C(=O)[O-])=C1C	REAL300000428837	0	37	-2.0	-112.55	324.68	4.74	-107.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC=C1[N+](=O)[O-]	REAL300000428838	0	33	-2.0	-107.20	318.36	4.77	-102.43
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428839	0	31	-2.0	-97.79	303.53	3.79	-94.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C(C)=C1C(=O)[O-]	REAL300000428840	0	37	-2.0	-109.98	325.33	5.07	-104.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000428841	0	34	-2.0	-108.22	317.12	4.36	-103.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1Cl	REAL300000428842	0	34	-2.0	-105.84	323.56	4.80	-101.04
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428843	0	34	-2.0	-114.42	316.84	4.36	-110.06
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000428844	0	37	-2.0	-110.66	326.13	4.86	-105.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1CC(=O)[O-]	REAL300000428845	0	38	-2.0	-112.56	342.28	3.80	-108.76
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCO2	REAL300000428846	0	34	-2.0	-98.71	318.06	4.86	-93.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1C(F)(F)F	REAL300000428847	0	34	-2.0	-93.24	321.92	4.49	-88.75
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC(C(=O)[O-])=C1Cl	REAL300000428848	0	34	-2.0	-106.46	323.04	4.63	-101.83
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000428849	0	35	-2.0	-109.03	319.83	3.88	-105.15
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C(C)=C1CC(=O)[O-]	REAL300000428850	0	43	-2.0	-109.93	356.95	6.54	-103.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C(F)C(Cl)=C1F	REAL300000428851	0	31	-2.0	-96.47	317.40	4.23	-92.24
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000428852	0	34	-2.0	-103.76	325.57	4.74	-99.02
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C(C(=O)[O-])S1	REAL300000428853	0	40	-2.0	-105.22	341.69	5.78	-99.44
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000428854	0	35	-2.0	-109.64	332.12	4.30	-105.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC=C1C(=O)[O-]	REAL300000428855	0	34	-2.0	-96.89	307.81	4.22	-92.67
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C([N+](=O)[O-])=C1	REAL300000428856	0	36	-2.0	-102.21	332.52	5.83	-96.38
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCO2	REAL300000428857	0	34	-2.0	-107.04	311.33	4.50	-102.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1[N+](=O)[O-]	REAL300000428858	0	33	-2.0	-116.56	315.53	5.52	-111.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1F	REAL300000428859	0	31	-2.0	-113.61	295.43	3.70	-109.91
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000428860	0	34	-2.0	-102.06	316.76	4.35	-97.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=CC2=CC=CC=C21	REAL300000428861	0	37	-2.0	-117.17	332.84	5.79	-111.38
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C1	REAL300000428862	0	30	-2.0	-105.39	288.79	1.73	-103.66
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCO2	REAL300000428863	0	35	-2.0	-100.86	320.00	3.47	-97.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)=C(Cl)O1	REAL300000428864	0	28	-2.0	-96.85	291.91	2.64	-94.21
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OCO4)C=C2)CC1	REAL300000428865	0	38	-2.0	-103.08	337.93	5.55	-97.53
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OCO4)C=C2C1	REAL300000428866	0	38	-2.0	-105.09	337.25	5.56	-99.53
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCO3)C=C(C(=O)[O-])O1	REAL300000428867	0	34	-2.0	-102.31	313.92	3.66	-98.65
CC(C)N1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000428868	0	42	-2.0	-104.83	376.87	6.09	-98.74
CC(C)N1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000428869	0	42	-2.0	-118.27	376.84	6.07	-112.20
CC(C)N1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000428870	0	39	-2.0	-112.53	370.00	5.09	-107.44
CC(C)N1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000428871	0	43	-2.0	-116.58	383.53	5.43	-111.15
CC(C)N1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000428872	0	39	-2.0	-113.87	368.48	5.09	-108.78
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C(C)C)C=C(C(=O)[O-])O1	REAL300000428873	0	42	-2.0	-109.04	379.88	5.20	-103.84
CC(C)N1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000428874	0	39	-2.0	-107.15	369.13	5.21	-101.94
CC(C)N1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000428875	0	41	-2.0	-114.37	373.10	4.19	-110.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C1=NN=NN1C1CC1	REAL300000428877	1	43	-2.0	-103.69	384.43	6.53	-97.16
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000428878	1	32	-2.0	-95.64	326.26	6.23	-89.41
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000428879	1	32	-2.0	-86.46	321.71	6.21	-80.25
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000428880	1	32	-2.0	-98.29	321.73	6.20	-92.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(SC)C(F)=C1	REAL300000428881	0	36	-2.0	-103.62	349.86	5.99	-97.63
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000428882	1	36	-2.0	-86.49	353.17	7.48	-79.01
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000428883	1	35	-2.0	-98.71	337.74	6.73	-91.98
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1F	REAL300000428884	0	32	-2.0	-94.29	334.79	6.77	-87.52
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000428885	1	32	-2.0	-93.81	334.24	6.58	-87.23
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000428886	1	38	-2.0	-101.65	354.39	7.55	-94.10
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000428887	0	32	-2.0	-95.40	327.20	6.26	-89.14
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000428888	1	38	-2.0	-85.60	365.29	7.78	-77.82
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000428889	0	29	-2.0	-92.21	314.90	5.21	-87.00
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000428890	1	35	-2.0	-99.74	337.15	6.99	-92.75
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1F	REAL300000428891	1	36	-2.0	-85.20	352.80	6.49	-78.71
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000428892	0	33	-2.0	-96.71	328.37	5.56	-91.15
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1F	REAL300000428893	1	36	-2.0	-100.17	345.92	5.01	-95.16
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000428894	0	32	-2.0	-88.76	330.83	5.88	-82.88
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1F	REAL300000428895	1	38	-2.0	-101.08	352.79	7.54	-93.54
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000428896	0	29	-2.0	-93.72	313.37	5.23	-88.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(SC)C(F)=C2)C=C1C(=O)[O-]	REAL300000428897	1	36	-2.0	-104.15	349.01	6.27	-97.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(SC)C(F)=C1	REAL300000428898	1	38	-2.0	-98.56	351.85	7.92	-90.64
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1F	REAL300000428899	1	39	-2.0	-103.41	365.97	8.10	-95.31
CSC1=C(F)C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000428900	0	32	-2.0	-92.92	324.73	5.33	-87.59
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000428901	0	36	-2.0	-98.60	350.64	5.30	-93.30
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1F	REAL300000428902	1	35	-2.0	-90.51	342.43	7.01	-83.50
CSC1=C(F)C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000428903	0	32	-2.0	-96.29	330.34	6.09	-90.20
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1F	REAL300000428904	0	32	-2.0	-84.23	334.78	6.76	-77.47
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000428905	1	32	-2.0	-86.18	326.26	6.24	-79.94
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000428906	0	29	-2.0	-87.59	313.99	5.33	-82.26
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000428907	0	32	-2.0	-89.43	328.14	6.27	-83.16
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1F	REAL300000428908	0	35	-2.0	-96.62	347.49	6.90	-89.72
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000428909	0	32	-2.0	-85.46	327.17	6.27	-79.19
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000428910	1	32	-2.0	-84.14	334.22	6.60	-77.54
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000428911	1	32	-2.0	-88.06	332.55	6.28	-81.78
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000428912	0	33	-2.0	-98.65	331.44	3.90	-94.75
CSC1=C(F)C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000428912	1	33	-2.0	-101.87	330.54	4.78	-97.09
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000428913	1	35	-2.0	-89.74	343.89	6.97	-82.77
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000428914	1	35	-2.0	-95.26	335.56	6.94	-88.32
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000428915	1	35	-2.0	-96.80	346.56	6.85	-89.95
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000428916	1	35	-2.0	-86.95	337.13	6.97	-79.98
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000428917	1	38	-2.0	-101.02	354.60	7.27	-93.75
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1F	REAL300000428918	0	32	-2.0	-87.19	333.48	6.33	-80.86
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000428919	1	38	-2.0	-98.49	355.11	7.61	-90.88
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1F	REAL300000428920	0	35	-2.0	-97.56	347.03	6.89	-90.67
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1F	REAL300000428921	0	35	-2.0	-102.03	346.75	6.89	-95.14
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(SC)C(F)=C2)C=C1C(=O)[O-]	REAL300000428922	1	38	-2.0	-99.37	355.69	7.38	-91.99
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(SC)C(F)=C2)C=C1C(=O)[O-]	REAL300000428923	0	36	-2.0	-97.96	349.67	6.41	-91.55
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000428924	1	35	-2.0	-88.05	341.79	6.85	-81.20
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1F	REAL300000428925	1	35	-2.0	-97.79	341.26	7.04	-90.75
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000428926	0	32	-2.0	-101.44	325.38	6.24	-95.20
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000428927	1	35	-2.0	-89.59	342.90	6.75	-82.84
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000428928	0	31	-2.0	-95.38	318.71	4.25	-91.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(SC)C(F)=C1	REAL300000428929	0	36	-2.0	-90.32	349.92	5.99	-84.33
CSC1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000428930	0	29	-2.0	-86.55	321.87	5.18	-81.37
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1F	REAL300000428931	1	39	-2.0	-92.07	365.70	8.02	-84.05
CSC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1F	REAL300000428932	1	39	-2.0	-94.83	365.81	8.06	-86.77
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(SC)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000428933	0	35	-2.0	-92.91	343.84	6.19	-86.72
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000428934	1	38	-2.0	-112.99	348.80	6.93	-106.06
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000428935	1	38	-2.0	-103.88	344.20	6.92	-96.96
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000428936	0	38	-2.0	-115.91	344.27	6.90	-109.01
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=C1C	REAL300000428937	0	42	-2.0	-120.44	372.40	6.70	-113.74
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000428938	0	42	-2.0	-102.56	375.67	8.19	-94.37
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000428939	1	41	-2.0	-117.12	360.59	7.43	-109.69
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000428940	0	38	-2.0	-112.07	357.37	7.48	-104.59
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000428941	0	38	-2.0	-111.51	356.77	7.29	-104.22
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000428942	1	44	-2.0	-119.67	376.69	8.22	-111.45
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000428943	0	38	-2.0	-114.58	349.76	6.97	-107.61
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000428944	0	44	-2.0	-101.82	387.79	8.50	-93.32
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000428945	0	35	-2.0	-111.98	337.48	5.91	-106.07
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000428946	1	41	-2.0	-117.52	359.67	7.69	-109.83
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000428947	1	42	-2.0	-101.19	375.29	7.18	-94.01
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000428948	0	39	-2.0	-116.07	350.93	6.27	-109.80
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000428949	1	42	-2.0	-115.31	368.47	5.71	-109.60
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000428950	0	38	-2.0	-106.73	353.40	6.58	-100.15
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000428951	1	44	-2.0	-118.92	375.82	8.22	-110.70
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000428952	0	35	-2.0	-111.64	335.92	5.93	-105.71
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=C2C)C=C1C(=O)[O-]	REAL300000428953	1	42	-2.0	-124.11	371.51	6.96	-117.15
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000428954	0	47	-2.0	-119.60	398.19	8.91	-110.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=C1C	REAL300000428955	1	44	-2.0	-114.40	374.39	8.63	-105.77
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000428956	0	45	-2.0	-122.57	388.47	8.80	-113.77
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000428957	0	38	-2.0	-110.58	347.24	6.04	-104.54
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000428958	0	42	-2.0	-117.41	373.22	6.00	-111.41
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000428959	0	41	-2.0	-108.07	364.94	7.72	-100.35
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000428960	0	38	-2.0	-111.76	352.89	6.79	-104.97
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000428961	0	38	-2.0	-100.44	357.28	7.46	-92.98
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000428962	0	38	-2.0	-102.92	348.76	6.94	-95.98
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000428963	0	35	-2.0	-105.48	336.54	6.02	-99.46
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000428964	0	38	-2.0	-108.59	350.67	6.96	-101.63
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000428965	0	41	-2.0	-115.01	369.99	7.60	-107.41
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000428966	0	38	-2.0	-103.78	349.70	6.97	-96.81
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000428967	0	38	-2.0	-101.13	356.73	7.31	-93.82
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000428968	0	38	-2.0	-104.69	355.09	6.99	-97.70
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000428969	0	39	-2.0	-115.74	354.01	4.62	-111.12
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000428970	0	41	-2.0	-107.17	366.39	7.70	-99.47
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000428971	1	41	-2.0	-114.17	352.35	7.52	-106.65
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000428972	1	41	-2.0	-114.53	369.07	7.55	-106.98
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000428973	1	41	-2.0	-103.60	359.65	7.67	-95.93
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000428974	1	44	-2.0	-122.94	381.73	8.09	-114.85
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000428975	0	38	-2.0	-105.39	355.97	7.02	-98.37
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000428976	1	44	-2.0	-118.07	378.20	8.27	-109.80
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000428977	0	41	-2.0	-117.04	369.62	7.61	-109.43
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000428978	0	41	-2.0	-124.07	369.25	7.59	-116.48
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=C2C)C=C1C(=O)[O-]	REAL300000428979	1	44	-2.0	-117.89	378.39	8.08	-109.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=C2C)C=C1C(=O)[O-]	REAL300000428980	0	42	-2.0	-117.49	372.25	7.12	-110.37
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000428981	1	41	-2.0	-104.14	359.97	7.43	-96.71
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000428982	1	41	-2.0	-114.94	363.77	7.73	-107.21
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000428983	0	38	-2.0	-120.42	347.87	6.93	-113.49
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000428984	0	41	-2.0	-110.59	369.33	7.58	-103.01
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000428985	0	37	-2.0	-113.67	341.21	4.95	-108.72
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=C1C	REAL300000428986	0	42	-2.0	-107.31	372.44	6.69	-100.62
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000428987	0	35	-2.0	-103.42	344.36	5.87	-97.55
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000428988	0	45	-2.0	-109.53	390.35	8.78	-100.75
CC1=CC=NN1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000428989	0	45	-2.0	-114.67	388.35	8.76	-105.91
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=C2C)C=C(C(=O)[O-])O1	REAL300000428990	0	41	-2.0	-109.77	366.37	6.88	-102.89
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC(Cl)=C2O1	REAL300000429005	0	40	-2.0	-104.32	362.11	6.48	-97.84
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2C1	REAL300000429016	1	39	-2.0	-108.87	344.34	5.92	-102.95
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CC(OC)CC2=C1	REAL300000429017	0	43	-2.0	-114.39	372.54	5.71	-108.68
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2C1	REAL300000429018	1	43	-2.0	-95.93	375.79	7.21	-88.72
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2C1	REAL300000429020	0	39	-2.0	-104.33	357.47	6.49	-97.84
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2C1	REAL300000429021	1	39	-2.0	-104.57	356.85	6.31	-98.26
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2C1	REAL300000429023	0	39	-2.0	-106.10	349.87	5.98	-100.12
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2C1	REAL300000429024	1	45	-2.0	-95.18	387.90	7.51	-87.67
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2C1	REAL300000429025	0	36	-2.0	-103.03	337.58	4.93	-98.10
COC1CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2C1	REAL300000429028	1	40	-2.0	-107.18	351.05	5.26	-101.92
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2C1	REAL300000429030	0	39	-2.0	-99.47	353.46	5.60	-93.87
COC1CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2C1	REAL300000429032	1	36	-2.0	-104.50	335.99	4.95	-99.55
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)C=C2C1	REAL300000429034	1	48	-2.0	-111.91	398.30	7.92	-103.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CC(OC)CC2=C1	REAL300000429035	1	45	-2.0	-107.86	374.52	7.63	-100.23
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CC(OC)CC2=C1	REAL300000429036	0	46	-2.0	-115.01	394.83	6.48	-108.53
COC1CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C2C1	REAL300000429037	0	42	-2.0	-111.04	375.20	6.48	-104.56
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C2C1	REAL300000429037	1	41	-3.0	-184.72	372.75	6.48	-178.24
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2C1	REAL300000429038	1	46	-2.0	-113.92	388.59	7.81	-106.11
COC1CC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2C1	REAL300000429039	0	39	-2.0	-102.50	347.35	5.05	-97.45
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2C1	REAL300000429040	0	43	-2.0	-110.47	373.33	5.01	-105.46
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=C2C1	REAL300000429041	0	39	-2.0	-100.92	361.94	6.50	-94.42
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2C1	REAL300000429043	1	42	-2.0	-100.08	365.05	6.74	-93.34
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=C2C1	REAL300000429044	1	43	-2.0	-94.00	381.65	6.26	-87.74
COC1CC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2C1	REAL300000429046	1	39	-2.0	-105.74	354.09	5.80	-99.94
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2C1	REAL300000429047	0	39	-2.0	-93.94	357.40	6.48	-87.46
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2C1	REAL300000429048	1	39	-2.0	-95.78	348.88	5.96	-89.82
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2C1	REAL300000429049	0	36	-2.0	-98.17	336.61	5.05	-93.12
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2C1	REAL300000429050	1	39	-2.0	-99.55	350.75	5.99	-93.56
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2C1	REAL300000429051	0	42	-2.0	-107.60	370.09	6.61	-100.99
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2C1	REAL300000429052	0	39	-2.0	-95.85	349.80	5.99	-89.86
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2C1	REAL300000429053	1	39	-2.0	-93.86	356.84	6.32	-87.54
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)C=C2C1	REAL300000429054	1	42	-2.0	-101.77	373.79	7.12	-94.65
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2C1	REAL300000429055	1	39	-2.0	-98.03	355.17	6.01	-92.02
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C2C1	REAL300000429056	1	41	-2.0	-93.63	372.53	6.59	-87.04
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2C1	REAL300000429057	0	40	-2.0	-108.54	354.11	3.63	-104.91
COC1CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2C1	REAL300000429057	1	40	-2.0	-106.04	343.06	4.52	-101.52
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2C1	REAL300000429058	1	42	-2.0	-99.94	366.51	6.70	-93.24
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=C2C1	REAL300000429059	1	39	-2.0	-99.48	365.06	6.45	-93.03
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=C2C1	REAL300000429064	0	41	-2.0	-107.27	370.92	7.01	-100.26
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2C1	REAL300000429065	0	39	-2.0	-97.83	356.11	6.05	-91.78
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2C1	REAL300000429067	0	42	-2.0	-107.29	365.82	6.52	-100.77
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3Cl)C=C2C1	REAL300000429068	0	42	-2.0	-106.15	376.12	7.06	-99.09
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2C1	REAL300000429069	0	42	-2.0	-114.49	369.37	6.61	-107.88
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)C=C2C1	REAL300000429072	1	42	-2.0	-98.57	370.61	7.09	-91.48
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(Cl)C(C(=O)[O-])=C3)C=C2C1	REAL300000429073	1	42	-2.0	-106.41	375.57	6.88	-99.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CC(OC)CC3=C2)C=C1C(=O)[O-]	REAL300000429074	1	43	-2.0	-108.52	372.43	6.13	-102.39
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)C=C2C1	REAL300000429075	1	42	-2.0	-103.72	378.08	6.99	-96.73
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=C2C1	REAL300000429078	0	41	-2.0	-116.89	368.14	7.76	-109.13
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2C1	REAL300000429079	0	39	-2.0	-113.69	348.06	5.95	-107.74
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2C1	REAL300000429080	1	42	-2.0	-101.83	369.28	6.60	-95.23
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C2C1	REAL300000429081	1	45	-2.0	-117.78	385.38	8.04	-109.74
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2C1	REAL300000429082	0	38	-2.0	-106.60	340.56	4.03	-102.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CC(OC)CC2=C1	REAL300000429083	0	43	-2.0	-100.71	372.54	5.72	-94.99
COC1CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2C1	REAL300000429084	0	36	-2.0	-96.36	344.49	4.89	-91.47
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2C1	REAL300000429085	1	46	-2.0	-102.80	390.47	7.80	-95.00
COC1CC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2C1	REAL300000429086	1	46	-2.0	-106.74	389.79	7.80	-98.94
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CC(OC)CC3=C2)C=C(C(=O)[O-])O1	REAL300000429087	0	42	-2.0	-102.30	366.47	5.90	-96.40
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000429088	0	40	-2.0	-111.62	375.71	4.98	-106.64
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000429089	0	40	-2.0	-100.92	371.18	4.96	-95.96
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000429090	0	40	-2.0	-113.10	371.18	4.95	-108.15
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000429091	0	43	-2.0	-115.57	387.20	5.48	-110.09
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000429092	0	40	-2.0	-111.06	376.64	5.01	-106.05
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000429093	0	37	-2.0	-107.64	364.36	3.96	-103.68
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000429094	0	43	-2.0	-113.97	386.60	5.73	-108.24
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000429095	0	41	-2.0	-111.64	377.83	4.29	-107.35
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000429096	0	40	-2.0	-104.37	380.30	4.64	-99.73
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000429097	0	37	-2.0	-109.69	362.83	3.98	-105.71
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000429098	0	40	-2.0	-107.13	374.18	4.08	-103.05
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000429099	0	40	-2.0	-110.28	380.87	4.83	-105.45
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000429100	0	40	-2.0	-100.45	375.71	4.99	-95.46
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000429101	0	37	-2.0	-103.07	363.43	4.07	-99.00
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000429102	0	40	-2.0	-104.97	377.60	5.01	-99.96
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000429103	0	40	-2.0	-100.65	376.64	5.02	-95.63
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000429104	0	41	-2.0	-112.80	380.87	2.66	-110.14
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000429105	0	43	-2.0	-104.76	393.36	5.73	-99.03
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000429106	0	43	-2.0	-110.02	381.22	5.58	-104.44
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000429107	0	43	-2.0	-100.80	386.59	5.72	-95.08
CCN1C=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OCCOC)C=C1C(=O)[O-]	REAL300000429108	0	44	-2.0	-113.82	399.12	5.15	-108.67
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000429109	0	43	-2.0	-101.12	387.18	5.49	-95.63
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000429110	0	40	-2.0	-118.19	374.81	4.97	-113.22
COCCOC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000429111	0	39	-2.0	-111.19	368.15	3.01	-108.18
CCC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2OCCOC)C=C(C(=O)[O-])O1	REAL300000429112	0	43	-2.0	-106.65	393.29	4.94	-101.71
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000429113	0	39	-2.0	-109.09	350.27	3.09	-106.00
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000429114	0	39	-2.0	-98.60	345.73	3.06	-95.54
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000429115	0	39	-2.0	-111.73	345.76	3.05	-108.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC(C)C	REAL300000429116	0	43	-2.0	-116.93	373.90	2.85	-114.08
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000429117	0	43	-2.0	-97.93	377.19	4.35	-93.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000429118	0	42	-2.0	-112.20	361.59	3.59	-108.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)=C1C	REAL300000429119	0	45	-2.0	-113.13	378.86	4.37	-108.76
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000429120	0	39	-2.0	-108.76	351.23	3.12	-105.64
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000429121	0	45	-2.0	-97.15	389.30	4.64	-92.51
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000429122	0	36	-2.0	-105.66	338.92	2.07	-103.59
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC(C)C	REAL300000429123	0	42	-2.0	-112.15	361.19	3.83	-108.32
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000429124	1	43	-2.0	-96.57	376.82	3.34	-93.23
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000429125	0	40	-2.0	-109.86	352.40	2.40	-107.46
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC(C)C	REAL300000429126	1	43	-2.0	-112.04	369.94	1.86	-110.18
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)=C1	REAL300000429127	0	39	-2.0	-101.70	354.87	2.74	-98.96
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000429128	1	45	-2.0	-112.62	377.02	4.36	-108.26
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000429129	0	36	-2.0	-107.10	337.41	2.09	-105.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000429130	1	43	-2.0	-117.66	373.03	3.12	-114.54
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000429131	0	48	-2.0	-114.18	399.64	5.06	-109.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC(C)C	REAL300000429132	0	45	-2.0	-109.64	375.88	4.76	-104.88
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC(C)C	REAL300000429133	0	46	-2.0	-117.75	396.19	3.62	-114.13
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000429134	0	41	-3.0	-187.67	374.14	3.62	-184.05
CC(C)OC1=CC(O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000429134	1	42	-2.0	-108.20	374.26	3.56	-104.64
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000429135	0	46	-2.0	-116.72	389.98	4.94	-111.78
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000429136	0	39	-2.0	-104.54	348.75	2.19	-102.35
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)=C1	REAL300000429137	0	43	-2.0	-112.60	374.72	2.14	-110.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)=CC=C1OCC(=O)[O-]	REAL300000429138	1	46	-2.0	-97.03	396.89	4.04	-92.99
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC(C)C	REAL300000429139	0	42	-2.0	-102.11	366.45	3.86	-98.25
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000429140	0	43	-2.0	-96.11	383.03	3.40	-92.71
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000429141	1	46	-2.0	-117.42	394.87	4.03	-113.39
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)C=C(C(=O)[O-])S1	REAL300000429142	0	39	-2.0	-108.29	354.36	2.95	-105.34
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000429143	0	39	-2.0	-96.09	358.80	3.62	-92.47
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000429144	0	39	-2.0	-98.13	350.25	3.09	-95.04
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000429145	0	36	-2.0	-100.30	338.01	2.18	-98.12
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000429146	0	39	-2.0	-101.78	352.16	3.11	-98.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)=C1F	REAL300000429147	0	42	-2.0	-109.87	371.48	3.75	-106.12
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000429148	0	39	-2.0	-98.27	351.22	3.13	-95.14
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000429149	0	39	-2.0	-96.19	358.22	3.46	-92.73
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC(C)C	REAL300000429150	0	42	-2.0	-103.72	375.18	4.25	-99.47
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000429151	0	41	-2.0	-96.05	373.92	3.72	-92.33
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000429152	0	40	-2.0	-110.51	355.47	0.75	-109.76
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000429153	0	42	-2.0	-102.16	367.90	3.83	-98.33
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC(C)C	REAL300000429154	0	42	-2.0	-107.97	355.77	3.68	-104.29
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)=CC(C(=O)[O-])=C1F	REAL300000429155	0	42	-2.0	-109.63	370.57	3.71	-105.92
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC(C)C	REAL300000429156	1	42	-2.0	-98.52	361.17	3.81	-94.71
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)=CC(C(=O)[O-])=C1C	REAL300000429157	0	45	-2.0	-115.14	378.58	4.13	-111.01
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000429158	0	41	-2.0	-109.73	372.88	4.18	-105.55
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000429159	0	39	-2.0	-100.03	357.47	3.18	-96.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)C(C)=C1C(=O)[O-]	REAL300000429160	1	45	-2.0	-111.57	380.95	4.47	-107.10
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000429161	0	42	-2.0	-109.85	367.03	3.65	-106.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)=C1Cl	REAL300000429162	0	42	-2.0	-108.13	377.53	4.19	-103.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)=C1	REAL300000429163	0	42	-2.0	-116.81	370.77	3.75	-113.06
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000429164	0	45	-2.0	-113.06	380.49	4.27	-108.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)C=C1CC(=O)[O-]	REAL300000429165	1	46	-2.0	-113.55	396.20	3.19	-110.36
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC(C)C	REAL300000429166	0	42	-2.0	-100.63	372.08	4.22	-96.41
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)=CC(C(=O)[O-])=C1Cl	REAL300000429167	0	42	-2.0	-108.67	376.98	4.01	-104.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000429168	0	43	-2.0	-110.71	373.77	3.27	-107.44
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000429169	0	42	-2.0	-105.16	375.45	4.02	-101.14
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000429170	0	42	-2.0	-100.22	365.50	3.69	-96.53
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC(C)C	REAL300000429171	0	42	-2.0	-109.04	365.69	3.86	-105.18
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000429172	0	41	-2.0	-118.14	369.48	4.88	-113.26
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000429173	0	39	-2.0	-115.26	349.37	3.07	-112.19
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000429174	0	42	-2.0	-103.16	366.52	3.62	-99.54
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000429175	0	38	-2.0	-109.26	341.95	1.17	-108.09
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC(C)C	REAL300000429176	0	43	-2.0	-102.86	373.96	2.85	-100.01
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000429177	0	36	-2.0	-98.76	345.86	2.02	-96.74
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000429178	0	46	-2.0	-105.15	391.88	4.93	-100.22
CC(C)OC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000429179	0	46	-2.0	-108.11	389.82	4.92	-103.19
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000429180	0	42	-2.0	-104.26	367.89	3.03	-101.23
CCC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429181	0	46	-2.0	-107.94	395.39	6.73	-101.21
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1CCC(C)C	REAL300000429182	0	46	-2.0	-98.07	395.87	6.88	-91.19
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429183	0	46	-2.0	-110.89	390.86	6.70	-104.19
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=NN1CCC(C)C	REAL300000429184	0	50	-2.0	-116.67	424.03	6.68	-109.99
CCC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=NN1CCC(C)C	REAL300000429185	0	50	-2.0	-97.47	427.34	8.17	-89.30
CCC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429186	0	49	-2.0	-111.96	411.90	7.39	-104.57
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=NN1CCC(C)C	REAL300000429187	0	46	-2.0	-106.60	408.96	7.43	-99.17
CCC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429188	0	46	-2.0	-106.13	403.36	7.10	-99.03
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=NN1CCC(C)C	REAL300000429189	0	52	-2.0	-114.60	423.95	8.03	-106.57
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=NN1CCC(C)C	REAL300000429190	0	46	-2.0	-108.26	401.35	6.94	-101.32
CCC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=NN1CCC(C)C	REAL300000429191	0	52	-2.0	-96.75	439.46	8.46	-88.29
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1CCC(C)C	REAL300000429192	0	43	-2.0	-104.73	389.08	5.91	-98.82
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NN1CCC(C)C	REAL300000429193	0	49	-2.0	-112.27	411.32	7.65	-104.62
CCC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=NN1CCC(C)C	REAL300000429194	0	50	-2.0	-96.14	426.95	7.15	-88.99
CCC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429195	0	47	-2.0	-109.02	402.54	6.23	-102.79
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=NN1CCC(C)C	REAL300000429196	0	50	-2.0	-112.96	419.67	5.70	-107.26
CCC1=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=NN1CCC(C)C	REAL300000429197	0	46	-2.0	-100.95	405.00	6.55	-94.40
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=NN1CCC(C)C	REAL300000429198	0	52	-2.0	-114.79	431.34	8.29	-106.50
CCC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429199	0	43	-2.0	-106.00	382.50	5.74	-100.26
CCC1=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429200	0	50	-2.0	-116.48	423.17	6.93	-109.55
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=NN1CCC(C)C	REAL300000429201	0	52	-2.0	-110.48	425.17	8.56	-101.92
CCC1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429202	0	46	-2.0	-104.85	398.90	6.02	-98.83
CCC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=NN1CCC(C)C	REAL300000429203	0	50	-2.0	-111.08	424.80	5.96	-105.12
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=NN1CCC(C)C	REAL300000429204	0	49	-2.0	-102.58	416.60	7.69	-94.89
CCC1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429205	0	46	-2.0	-108.17	405.58	6.77	-101.40
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=NN1CCC(C)C	REAL300000429206	0	46	-2.0	-95.55	403.89	7.26	-88.29
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=NN1CCC(C)C	REAL300000429207	0	46	-2.0	-97.34	400.42	6.92	-90.42
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1CCC(C)C	REAL300000429208	0	43	-2.0	-99.65	388.15	6.00	-93.65
CCC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429209	0	46	-2.0	-101.41	402.30	6.94	-94.47
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=NN1CCC(C)C	REAL300000429210	0	49	-2.0	-109.88	416.59	7.41	-102.47
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=NN1CCC(C)C	REAL300000429211	0	46	-2.0	-97.32	396.30	6.77	-90.55
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=NN1CCC(C)C	REAL300000429212	0	46	-2.0	-95.41	408.39	7.27	-88.14
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=NN1CCC(C)C	REAL300000429213	0	47	-2.0	-111.41	405.60	4.58	-106.83
CCC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1CCC(C)C	REAL300000429214	0	49	-2.0	-101.89	418.06	7.65	-94.24
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NN1CCC(C)C	REAL300000429215	0	49	-2.0	-106.13	405.92	7.51	-98.62
CCC1=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429216	0	49	-2.0	-109.36	415.67	7.35	-102.01
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NN1CCC(C)C	REAL300000429217	0	49	-2.0	-98.28	406.26	7.48	-90.80
CCC1=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429218	0	52	-2.0	-113.79	428.77	7.94	-105.85
CCC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=NN1CCC(C)C	REAL300000429219	0	52	-2.0	-110.50	429.41	8.28	-102.22
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=NN1CCC(C)C	REAL300000429220	0	49	-2.0	-110.52	421.20	7.58	-102.94
CCC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=NN1CCC(C)C	REAL300000429221	0	49	-2.0	-114.94	420.92	7.56	-107.38
CCC1=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429222	0	52	-2.0	-112.60	430.21	8.06	-104.54
CCC1=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429223	0	50	-2.0	-110.29	423.91	7.09	-103.20
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1CCC(C)C	REAL300000429224	0	49	-2.0	-98.17	411.89	7.41	-90.76
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=NN1CCC(C)C	REAL300000429225	0	49	-2.0	-109.79	415.42	7.70	-102.09
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=NN1CCC(C)C	REAL300000429226	0	46	-2.0	-113.95	399.54	6.91	-107.04
CCC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429227	0	49	-2.0	-102.41	412.01	7.28	-95.13
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1CCC(C)C	REAL300000429228	0	45	-2.0	-108.07	387.05	4.84	-103.23
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=NN1CCC(C)C	REAL300000429229	0	50	-2.0	-102.31	419.05	6.51	-95.80
CCC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=NN1CCC(C)C	REAL300000429230	0	43	-2.0	-98.75	390.94	5.68	-93.07
CCC1=C(S(=O)(=O)[N-]C2=C(CC)N(CCC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000429231	0	49	-2.0	-104.76	418.01	6.87	-97.89
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(N(C)C)=C1	REAL300000429232	1	42	-2.0	-102.05	379.18	5.28	-96.77
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(N(C)C)=C1	REAL300000429233	1	42	-2.0	-92.39	374.93	5.28	-87.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(N(C)C)=C1	REAL300000429234	0	42	-2.0	-104.29	374.65	5.25	-99.04
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(N(C)C)=C1	REAL300000429235	1	45	-2.0	-105.38	390.68	5.78	-99.60
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(N(C)C)=C1	REAL300000429236	0	42	-2.0	-101.36	380.13	5.31	-96.05
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(N(C)C)=C1	REAL300000429237	0	39	-2.0	-98.92	367.84	4.27	-94.65
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(N(C)C)=C1	REAL300000429238	1	45	-2.0	-105.11	390.09	6.04	-99.07
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(N(C)C)=C1	REAL300000429239	0	43	-2.0	-102.65	381.59	4.63	-98.02
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(N(C)C)=C1	REAL300000429240	0	42	-2.0	-95.02	384.05	4.96	-90.06
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(N(C)C)=C1	REAL300000429241	0	39	-2.0	-100.21	366.30	4.29	-95.92
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(N(C)C)=C1	REAL300000429242	0	42	-2.0	-98.59	377.66	4.39	-94.20
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(N(C)C)=C1	REAL300000429243	0	42	-2.0	-101.76	383.28	5.15	-96.61
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(N(C)C)=C1	REAL300000429244	0	42	-2.0	-92.10	379.17	5.29	-86.81
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(N(C)C)=C1	REAL300000429245	0	39	-2.0	-93.91	367.20	4.40	-89.51
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(N(C)C)=C1	REAL300000429246	0	42	-2.0	-95.45	381.36	5.34	-90.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(N(C)C)=C1	REAL300000429247	0	42	-2.0	-91.73	380.11	5.32	-86.41
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(N(C)C)=C1	REAL300000429248	0	43	-2.0	-103.78	384.66	2.97	-100.81
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(N(C)C)=C1	REAL300000429249	0	45	-2.0	-95.30	397.12	6.06	-89.24
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(N(C)C)=C1	REAL300000429250	1	45	-2.0	-100.60	384.69	5.89	-94.71
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(N(C)C)=C1	REAL300000429251	1	45	-2.0	-92.53	390.35	6.05	-86.48
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2N(C)C)C=C1C(=O)[O-]	REAL300000429252	0	46	-2.0	-103.94	402.68	5.47	-98.47
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(N(C)C)=C1	REAL300000429253	1	45	-2.0	-92.45	390.65	5.79	-86.66
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(N(C)C)=C1	REAL300000429254	0	42	-2.0	-108.25	378.58	5.30	-102.95
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(N(C)C)=C1	REAL300000429255	0	41	-2.0	-102.00	371.15	3.39	-98.61
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2N(C)C)C=C(C(=O)[O-])O1	REAL300000429256	0	45	-2.0	-98.19	396.78	5.24	-92.95
CC1=CC=C(N2N=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2C(C)C)C=C1	REAL300000429257	0	47	-2.0	-99.00	404.44	8.60	-90.40
CC1=CC=C(N2N=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2C(C)C)C=C1	REAL300000429258	0	47	-2.0	-111.43	404.47	8.59	-102.84
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3=O)=C1	REAL300000429266	1	34	-2.0	-115.69	335.23	6.63	-109.06
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3=O)=C1	REAL300000429268	1	31	-2.0	-111.84	322.94	5.58	-106.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3=O)=C1	REAL300000429273	1	34	-2.0	-108.14	338.89	6.24	-101.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3=O)S1	REAL300000429283	1	31	-2.0	-106.74	322.01	5.68	-101.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3=O)=C1F	REAL300000429285	1	37	-2.0	-117.29	355.50	7.26	-110.03
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(C=C2Cl)CCC3=O)=C1	REAL300000429287	0	35	-2.0	-111.03	333.89	5.10	-105.93
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3=O)=C1	REAL300000429295	1	37	-2.0	-122.32	354.79	7.25	-115.07
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=C(Cl)C=C3CCC(=O)C3=C2)=CC=C1	REAL300000429300	1	34	-2.0	-120.98	333.39	6.59	-114.39
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3=O)=C1	REAL300000429302	0	33	-2.0	-115.87	325.96	4.68	-111.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3=O)=C(Cl)O1	REAL300000429304	1	31	-2.0	-105.41	329.86	5.53	-99.88
O=C([O-])C1=CC(S(=O)(=O)N2CC3(CCC3)C3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000429331	0	42	-2.0	-111.83	368.26	9.28	-102.55
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC3(CCC3)C3=CC=CC=C32)=C1	REAL300000429353	0	40	-2.0	-113.67	341.45	7.37	-106.30
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000429385	0	43	-2.0	-91.29	384.29	1.00	-90.29
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000429386	0	36	-2.0	-108.21	332.34	2.46	-105.75
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000429387	0	44	-2.0	-108.47	387.43	3.52	-104.95
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000429388	0	36	-2.0	-97.95	327.80	2.42	-95.53
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000429389	0	36	-2.0	-110.92	327.81	2.43	-108.49
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000429390	0	40	-2.0	-115.52	355.96	2.23	-113.29
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000429391	0	40	-2.0	-97.40	359.27	3.72	-93.68
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000429392	0	39	-2.0	-111.47	343.83	2.95	-108.52
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000429393	0	36	-2.0	-105.56	340.88	3.00	-102.56
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000429394	0	36	-2.0	-106.70	340.32	2.82	-103.88
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000429395	0	42	-2.0	-112.53	360.92	3.75	-108.78
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000429396	0	36	-2.0	-107.49	333.29	2.49	-105.00
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000429397	0	42	-2.0	-96.56	371.39	4.01	-92.55
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000429398	0	33	-2.0	-105.01	321.00	1.45	-103.56
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000429399	0	39	-2.0	-111.33	343.25	3.19	-108.14
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000429400	1	40	-2.0	-96.04	358.89	2.70	-93.34
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000429401	0	37	-2.0	-109.22	334.46	1.78	-107.44
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000429402	1	40	-2.0	-111.93	351.60	1.26	-110.67
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000429403	0	36	-2.0	-101.10	336.95	2.11	-98.99
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000429404	1	42	-2.0	-113.97	363.26	3.83	-110.14
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000429405	0	33	-2.0	-105.95	319.47	1.46	-104.49
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000429406	0	44	-2.0	-111.40	386.13	2.24	-109.16
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000429407	1	40	-2.0	-116.80	355.10	2.49	-114.31
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000429408	0	46	-2.0	-115.45	383.05	5.05	-110.40
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000429409	0	45	-2.0	-112.90	381.71	4.43	-108.47
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000429410	0	42	-2.0	-109.19	357.94	4.14	-105.05
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000429411	0	43	-2.0	-116.30	378.24	2.99	-113.31
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000429412	0	38	-3.0	-186.57	356.22	3.00	-183.57
CCOC1=CC(O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000429412	1	39	-2.0	-108.01	356.27	2.93	-105.08
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000429413	0	43	-2.0	-115.80	372.06	4.32	-111.48
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000429414	0	36	-2.0	-104.37	330.82	1.58	-102.79
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000429415	0	42	-2.0	-115.76	369.98	2.20	-113.56
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000429416	0	40	-2.0	-111.61	356.73	1.51	-110.10
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000429417	1	44	-2.0	-96.85	380.73	3.03	-93.82
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000429418	0	36	-2.0	-102.17	345.41	3.02	-99.15
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000429419	1	43	-2.0	-96.48	378.97	3.41	-93.07
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000429420	0	39	-2.0	-101.91	348.53	3.23	-98.68
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000429421	0	40	-2.0	-95.51	365.11	2.78	-92.73
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OCC)C=C1C(=O)[O-]	REAL300000429422	1	43	-2.0	-116.80	376.95	3.41	-113.39
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000429423	0	36	-2.0	-107.17	336.44	2.32	-104.85
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000429424	0	36	-2.0	-95.39	340.86	2.99	-92.40
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000429425	0	36	-2.0	-97.29	332.35	2.46	-94.83
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000429426	0	33	-2.0	-99.60	320.08	1.55	-98.05
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000429427	0	36	-2.0	-101.15	334.23	2.49	-98.66
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000429428	0	39	-2.0	-109.04	353.56	3.13	-105.91
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000429429	0	36	-2.0	-97.62	333.28	2.50	-95.12
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000429430	0	36	-2.0	-95.49	340.32	2.83	-92.66
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000429431	0	39	-2.0	-103.60	357.26	3.61	-99.99
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000429432	0	44	-2.0	-93.96	391.56	3.84	-90.12
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000429433	0	36	-2.0	-99.70	338.63	2.52	-97.18
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000429434	0	38	-2.0	-95.71	356.00	3.10	-92.61
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000429435	0	37	-2.0	-109.90	337.53	0.11	-109.79
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000429436	0	39	-2.0	-101.47	349.99	3.21	-98.26
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000429437	0	36	-2.0	-101.24	348.52	2.96	-98.28
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000429438	0	39	-2.0	-106.52	337.85	3.06	-103.46
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000429439	0	39	-2.0	-109.05	352.65	3.08	-105.97
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000429440	1	39	-2.0	-98.04	343.23	3.18	-94.86
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000429441	0	42	-2.0	-114.21	360.69	3.49	-110.72
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000429442	0	38	-2.0	-108.30	354.39	3.52	-104.78
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000429443	0	36	-2.0	-99.29	339.55	2.56	-96.73
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000429444	1	42	-2.0	-111.07	361.35	3.81	-107.26
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000429445	0	39	-2.0	-110.27	353.13	3.12	-107.15
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000429446	0	39	-2.0	-107.43	359.60	3.57	-103.86
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000429447	0	39	-2.0	-115.37	352.86	3.10	-112.27
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000429448	0	42	-2.0	-112.29	361.78	3.61	-108.68
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000429449	1	43	-2.0	-113.43	378.29	2.55	-110.88
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000429450	0	39	-2.0	-99.82	354.08	3.59	-96.23
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000429451	0	39	-2.0	-107.85	359.03	3.39	-104.46
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000429452	0	40	-2.0	-110.51	355.84	2.64	-107.87
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000429453	1	48	-2.0	-110.87	392.96	5.29	-105.58
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000429454	0	39	-2.0	-104.27	357.68	3.40	-100.87
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000429455	0	45	-2.0	-107.18	377.26	4.55	-102.63
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000429456	0	39	-2.0	-99.69	347.88	3.06	-96.63
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000429457	0	41	-2.0	-102.40	371.07	4.61	-97.79
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000429458	1	39	-2.0	-107.94	347.76	3.24	-104.70
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000429459	0	38	-2.0	-117.43	351.56	4.26	-113.17
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000429460	0	36	-2.0	-114.57	331.47	2.46	-112.11
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000429461	0	39	-2.0	-102.52	348.98	3.00	-99.52
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000429462	0	42	-2.0	-118.64	368.84	4.55	-114.09
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000429463	0	35	-2.0	-108.64	324.02	0.54	-108.10
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000429464	0	40	-2.0	-102.22	356.02	2.23	-99.99
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000429465	0	33	-2.0	-98.05	327.91	1.41	-96.64
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000429466	0	43	-2.0	-104.61	373.94	4.30	-100.31
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000429467	0	43	-2.0	-107.50	371.90	4.29	-103.21
CCOC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000429468	0	39	-2.0	-104.06	349.93	2.42	-101.64
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000429469	1	42	-2.0	-87.30	374.73	2.24	-85.06
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000429471	0	43	-2.0	-104.63	377.87	4.75	-99.88
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000429474	0	39	-2.0	-111.63	346.40	3.45	-108.18
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000429478	0	35	-2.0	-103.56	323.73	3.72	-99.84
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000429480	0	32	-2.0	-100.22	311.44	2.67	-97.55
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000429483	1	36	-2.0	-104.72	324.91	3.01	-101.71
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000429485	0	35	-2.0	-96.81	327.37	3.34	-93.47
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000429487	1	32	-2.0	-101.73	309.92	2.69	-99.04
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000429493	0	42	-2.0	-111.56	368.68	4.22	-107.34
CCC1=CC(O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000429494	0	38	-2.0	-107.85	345.21	4.15	-103.70
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000429496	0	35	-2.0	-100.55	321.28	2.79	-97.76
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000429498	0	39	-2.0	-106.17	347.18	2.74	-103.43
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000429500	1	35	-2.0	-96.01	345.95	4.50	-91.51
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000429504	1	38	-2.0	-98.21	338.97	4.47	-93.74
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000429508	1	35	-2.0	-104.07	326.90	3.54	-100.53
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000429509	0	35	-2.0	-95.93	346.50	4.67	-91.26
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000429510	1	35	-2.0	-91.10	331.32	4.21	-86.89
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000429512	0	32	-2.0	-95.40	310.52	2.77	-92.63
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000429513	1	35	-2.0	-96.95	324.68	3.71	-93.24
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000429514	0	38	-2.0	-105.38	344.02	4.35	-101.03
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000429515	0	39	-2.0	-95.68	358.57	4.27	-91.41
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000429516	0	35	-2.0	-93.17	323.72	3.72	-89.45
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000429519	1	43	-2.0	-90.19	382.01	5.06	-85.13
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000429520	1	37	-2.0	-91.13	346.46	4.32	-86.81
CCC1=CC(O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000429521	0	36	-2.0	-107.12	319.19	2.18	-104.94
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000429521	1	36	-2.0	-106.04	327.98	1.35	-104.69
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000429528	1	37	-2.0	-104.89	344.81	4.74	-100.15
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000429529	0	35	-2.0	-95.47	330.01	3.78	-91.69
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000429531	0	38	-2.0	-104.66	339.73	4.25	-100.41
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000429532	0	38	-2.0	-104.03	350.06	4.79	-99.24
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000429533	0	38	-2.0	-110.23	343.30	4.34	-105.89
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000429539	1	39	-2.0	-106.02	346.29	3.86	-102.16
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000429541	0	35	-2.0	-93.94	343.88	4.21	-89.73
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000429543	1	39	-2.0	-107.32	358.58	4.28	-103.04
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000429545	0	40	-2.0	-97.40	358.54	5.73	-91.67
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000429547	0	37	-2.0	-111.50	338.90	5.38	-106.12
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000429548	0	35	-2.0	-109.41	321.90	3.68	-105.73
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000429551	0	34	-2.0	-103.80	314.48	1.77	-102.03
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000429552	1	39	-2.0	-97.79	346.46	3.45	-94.34
CCC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000429553	0	32	-2.0	-94.08	318.36	2.63	-91.45
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2CC)C=C(C(=O)[O-])O1	REAL300000429556	0	38	-2.0	-99.84	335.96	3.52	-96.32
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC3(CCCC3)C3=CC=CC(F)=C32)=C1	REAL300000429573	0	43	-2.0	-116.55	354.30	8.07	-108.48
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000429591	0	39	-2.0	-111.99	339.79	7.94	-104.05
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000429592	0	39	-2.0	-101.89	335.23	7.93	-93.96
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000429593	0	39	-2.0	-114.95	335.26	7.91	-107.04
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=CC2=C1CCC2	REAL300000429594	0	43	-2.0	-120.28	363.39	7.61	-112.67
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000429595	0	43	-2.0	-100.63	366.71	9.22	-91.41
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000429596	0	42	-2.0	-116.39	351.28	8.45	-107.94
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000429597	0	45	-2.0	-117.65	367.92	9.25	-108.40
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000429598	0	39	-2.0	-112.21	340.72	7.97	-104.24
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000429599	0	45	-2.0	-99.94	378.82	9.49	-90.45
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000429600	0	36	-2.0	-109.21	328.45	6.97	-102.24
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000429601	0	42	-2.0	-115.16	350.69	8.65	-106.51
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000429602	0	43	-2.0	-99.33	366.33	8.20	-91.13
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000429603	0	40	-2.0	-113.36	341.90	7.30	-106.06
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000429604	0	43	-2.0	-115.57	359.46	6.68	-108.89
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000429605	0	39	-2.0	-105.35	344.37	7.62	-97.73
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000429606	0	45	-2.0	-116.66	366.71	9.18	-107.48
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000429607	0	36	-2.0	-110.38	326.91	6.97	-103.41
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC3=C2CCC3)C=C1C(=O)[O-]	REAL300000429608	0	43	-2.0	-120.99	362.55	7.99	-113.00
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000429609	0	48	-2.0	-117.37	389.15	9.90	-107.47
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=CC2=C1CCC2	REAL300000429610	0	45	-2.0	-112.92	364.69	9.56	-103.36
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=CC2=C1CCC2	REAL300000429611	0	46	-2.0	-120.96	385.68	8.37	-112.59
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000429612	0	41	-3.0	-193.53	363.66	8.48	-185.05
COC1=CC=C2CCCC2=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000429612	1	42	-2.0	-112.26	370.07	7.83	-104.43
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000429613	0	46	-2.0	-120.07	379.51	9.79	-110.28
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000429614	0	39	-2.0	-108.51	338.26	7.06	-101.45
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000429615	0	43	-2.0	-116.41	364.17	6.90	-109.51
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000429616	0	46	-2.0	-99.94	386.42	8.89	-91.05
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000429617	0	42	-2.0	-105.73	355.97	8.68	-97.05
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000429618	0	43	-2.0	-98.67	372.55	8.26	-90.41
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC3=C2CCC3)C=C1C(=O)[O-]	REAL300000429619	0	46	-2.0	-121.77	384.41	8.91	-112.86
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000429620	0	39	-2.0	-111.47	344.95	7.80	-103.67
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000429621	0	39	-2.0	-99.04	348.31	8.45	-90.59
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000429622	0	39	-2.0	-101.27	339.79	7.97	-93.30
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000429623	0	36	-2.0	-103.98	327.51	7.06	-96.92
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000429624	0	39	-2.0	-105.72	341.66	7.98	-97.74
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000429625	0	42	-2.0	-113.93	361.01	8.61	-105.32
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000429626	0	39	-2.0	-101.67	340.72	7.98	-93.69
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000429627	0	39	-2.0	-99.39	347.76	8.32	-91.07
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000429628	0	42	-2.0	-107.50	364.70	9.07	-98.43
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000429629	0	41	-2.0	-99.61	363.45	8.58	-91.03
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000429630	0	40	-2.0	-113.92	344.98	5.50	-108.42
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000429631	0	42	-2.0	-105.51	357.42	8.69	-96.82
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000429632	0	39	-2.0	-105.01	355.96	8.45	-96.56
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000429633	0	42	-2.0	-110.92	345.33	8.51	-102.41
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000429634	0	42	-2.0	-113.61	360.09	8.56	-105.05
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000429635	0	42	-2.0	-101.77	350.67	8.64	-93.13
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000429636	0	45	-2.0	-118.53	368.72	9.00	-109.53
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000429637	0	41	-2.0	-112.38	361.81	9.01	-103.37
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000429638	0	39	-2.0	-103.86	346.99	8.04	-95.82
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000429639	0	45	-2.0	-115.39	368.65	9.31	-106.08
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000429640	0	42	-2.0	-113.61	356.75	8.51	-105.10
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000429641	0	42	-2.0	-111.89	367.02	9.03	-102.86
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000429642	0	42	-2.0	-120.54	360.29	8.60	-111.94
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC3=C2CCC3)C=C1C(=O)[O-]	REAL300000429643	0	45	-2.0	-117.21	369.19	9.10	-108.11
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC3=C2CCC3)C=C1CC(=O)[O-]	REAL300000429644	0	46	-2.0	-116.16	385.73	8.03	-108.13
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000429645	0	42	-2.0	-104.12	361.52	9.06	-95.06
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000429646	0	42	-2.0	-112.67	366.48	8.87	-103.80
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC3=C2CCC3)C=C1C(=O)[O-]	REAL300000429647	0	43	-2.0	-114.67	363.29	8.16	-106.51
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000429648	0	42	-2.0	-108.46	365.12	8.88	-99.58
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000429649	0	42	-2.0	-102.20	351.26	8.46	-93.74
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000429650	0	42	-2.0	-112.63	354.79	8.74	-103.89
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000429651	0	41	-2.0	-121.69	358.98	9.62	-112.07
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000429652	0	39	-2.0	-119.41	338.92	7.95	-111.46
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000429653	0	42	-2.0	-106.78	356.42	8.48	-98.30
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000429654	0	45	-2.0	-123.88	376.30	10.04	-113.84
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000429655	0	38	-2.0	-112.09	332.24	6.01	-106.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC2=C1CCC2	REAL300000429656	0	43	-2.0	-106.33	363.46	7.60	-98.73
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000429657	0	36	-2.0	-102.38	335.40	6.92	-95.46
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000429658	0	46	-2.0	-108.44	381.38	9.80	-98.64
COC1=CC=C2CCCC2=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000429659	0	46	-2.0	-112.63	380.70	9.80	-102.83
CCC1=C(S(=O)(=O)[N-]C2=C(OC)C=CC3=C2CCC3)C=C(C(=O)[O-])O1	REAL300000429660	0	42	-2.0	-108.22	357.38	7.90	-100.32
CCCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=CC=C1C	REAL300000429661	0	47	-2.0	-100.71	407.76	9.00	-91.71
CCCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1C	REAL300000429662	0	47	-2.0	-113.94	407.78	8.98	-104.96
CCCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=C(C)C=C1	REAL300000429663	0	47	-2.0	-100.28	411.18	8.73	-91.55
CCCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=C(C)C=C1	REAL300000429664	0	47	-2.0	-112.85	411.23	8.72	-104.13
CC(C)OC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000429688	0	44	-2.0	-114.01	385.61	7.69	-106.32
CC(C)OC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000429707	0	42	-2.0	-111.76	352.47	5.84	-105.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(CC3=NN=C4CCCN34)C=C2)=C1	REAL300000429738	1	44	-2.0	-120.63	389.10	8.89	-111.74
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(CC3=NN=C4CCCN34)C=C2)=C1	REAL300000429739	0	43	-2.0	-119.28	385.31	7.03	-112.25
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000429740	0	32	-2.0	-101.92	331.33	5.35	-96.57
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000429741	0	32	-2.0	-92.16	326.78	5.33	-86.83
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000429742	0	32	-2.0	-104.37	326.80	5.32	-99.05
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000429743	0	35	-2.0	-105.47	342.83	5.86	-99.61
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000429744	0	32	-2.0	-101.69	332.27	5.39	-96.30
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000429745	0	29	-2.0	-98.79	319.99	4.34	-94.45
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000429746	0	35	-2.0	-105.41	342.23	6.11	-99.30
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000429747	0	33	-2.0	-102.76	333.45	4.67	-98.09
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000429748	0	32	-2.0	-95.04	335.91	5.01	-90.03
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000429749	0	29	-2.0	-100.12	318.45	4.36	-95.76
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000429750	0	32	-2.0	-98.59	329.81	4.46	-94.13
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000429751	0	32	-2.0	-101.75	336.49	5.21	-96.54
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000429752	0	32	-2.0	-91.77	331.31	5.36	-86.41
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000429753	0	29	-2.0	-93.76	319.06	4.45	-89.31
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000429754	0	32	-2.0	-95.39	333.22	5.39	-90.00
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000429755	0	32	-2.0	-91.54	332.26	5.39	-86.15
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000429756	0	33	-2.0	-104.26	336.52	3.03	-101.23
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000429757	0	35	-2.0	-95.77	348.99	6.10	-89.67
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000429758	0	35	-2.0	-100.39	336.84	5.95	-94.44
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000429759	0	35	-2.0	-92.39	342.21	6.09	-86.30
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2OC)C=C1C(=O)[O-]	REAL300000429760	0	36	-2.0	-103.96	354.75	5.52	-98.44
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000429761	0	35	-2.0	-92.33	342.81	5.87	-86.46
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000429762	0	32	-2.0	-108.11	330.43	5.35	-102.76
COC1=CC(Cl)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000429763	0	31	-2.0	-101.77	323.77	3.39	-98.38
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2OC)C=C(C(=O)[O-])O1	REAL300000429764	0	35	-2.0	-98.41	348.92	5.31	-93.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2COC2)C=C1	REAL300000429768	0	41	-2.0	-111.34	362.04	3.60	-107.74
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1	REAL300000429771	0	37	-2.0	-101.57	346.97	4.38	-97.19
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1	REAL300000429774	0	37	-2.0	-103.07	339.38	3.87	-99.20
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1	REAL300000429776	0	34	-2.0	-100.02	327.09	2.82	-97.20
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)C=C1C(=O)[O-]	REAL300000429779	1	38	-2.0	-104.47	340.85	3.12	-101.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1	REAL300000429781	0	37	-2.0	-96.28	343.04	3.49	-92.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=CS1	REAL300000429783	1	34	-2.0	-101.48	325.55	2.84	-98.64
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2COC2)C=C1	REAL300000429787	0	44	-2.0	-111.37	384.33	4.37	-107.00
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(OC3COC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000429788	0	40	-2.0	-108.62	364.82	4.32	-104.30
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)C=C(C(=O)[O-])O1	REAL300000429790	0	37	-2.0	-99.99	336.91	2.94	-97.05
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1	REAL300000429791	0	41	-2.0	-106.76	362.87	2.90	-103.86
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2COC2)C=C1	REAL300000429793	1	40	-2.0	-97.54	354.62	4.63	-92.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)C=C(C(=O)[O-])S1	REAL300000429796	1	37	-2.0	-103.43	342.50	3.70	-99.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)C(Cl)=C1	REAL300000429797	1	37	-2.0	-91.03	346.95	4.37	-86.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)S1	REAL300000429799	0	34	-2.0	-95.15	326.17	2.94	-92.21
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1	REAL300000429800	1	37	-2.0	-96.60	340.61	3.84	-92.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1F	REAL300000429801	0	40	-2.0	-104.47	359.66	4.51	-99.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)C(F)=C1	REAL300000429802	0	37	-2.0	-92.78	339.36	3.88	-88.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=CC(F)=C1F	REAL300000429805	1	37	-2.0	-94.91	345.02	3.87	-91.04
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1	REAL300000429806	1	39	-2.0	-90.81	362.39	4.44	-86.37
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1	REAL300000429807	0	38	-2.0	-105.98	343.62	1.52	-104.46
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3COC3)C=C2)=C1	REAL300000429807	1	38	-2.0	-104.48	342.79	2.19	-102.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000429813	1	39	-2.0	-104.16	360.90	4.85	-99.31
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1	REAL300000429814	0	37	-2.0	-94.70	345.66	3.93	-90.77
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)C=C1C(=O)[O-]	REAL300000429816	0	40	-2.0	-104.14	355.43	4.41	-99.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1Cl	REAL300000429817	0	40	-2.0	-103.29	365.66	4.95	-98.34
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1	REAL300000429818	0	40	-2.0	-110.27	358.92	4.50	-105.77
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)C=C1C(=O)[O-]	REAL300000429823	1	41	-2.0	-105.77	362.22	3.99	-101.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1[N+](=O)[O-]	REAL300000429827	0	39	-2.0	-112.61	357.65	5.67	-106.94
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1F	REAL300000429828	0	37	-2.0	-109.53	337.52	3.83	-105.70
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)C=C1C(=O)[O-]	REAL300000429829	1	40	-2.0	-98.50	359.75	4.47	-94.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=CC2=CC=CC=C21	REAL300000429830	1	43	-2.0	-114.24	375.24	5.90	-108.34
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C1	REAL300000429831	0	36	-2.0	-103.37	330.11	1.92	-101.45
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2COC2)C=C1	REAL300000429832	0	41	-2.0	-97.98	362.41	3.57	-94.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)=C(Cl)O1	REAL300000429833	0	34	-2.0	-93.74	334.05	2.78	-90.96
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3COC3)C=C2)C=C(C(=O)[O-])O1	REAL300000429836	0	40	-2.0	-100.01	356.03	3.79	-96.22
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3CC4CCC(C3)O4)C=C2)=C1	REAL300000429839	0	42	-2.0	-103.54	364.89	4.43	-99.11
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CC4CCC(C3)O4)C=C2)C=C1C(=O)[O-]	REAL300000429840	1	46	-2.0	-107.81	378.35	4.77	-103.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CC4CCC(C3)O4)C=C2)=CS1	REAL300000429841	1	42	-2.0	-104.83	363.35	4.45	-100.38
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CC4CCC(C3)O4)C=C2)C=C(C(=O)[O-])O1	REAL300000429842	0	45	-2.0	-103.29	374.71	4.55	-98.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CC4CCC(C3)O4)C=C2)S1	REAL300000429843	0	42	-2.0	-98.21	363.97	4.54	-93.67
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3CC4CCC(C3)O4)C=C2)=C1	REAL300000429844	0	44	-2.0	-106.92	367.92	3.53	-103.39
COC1=CC(OC)=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000429868	0	42	-2.0	-112.61	377.65	5.70	-106.91
COC1=CC(OC)=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000429887	0	40	-2.0	-115.02	350.19	3.59	-111.43
COCCS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000429916	1	41	-2.0	-97.04	381.47	2.53	-94.51
COCCS(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000429917	1	41	-2.0	-109.93	381.50	2.50	-107.43
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000429918	1	45	-2.0	-89.10	397.36	4.18	-84.92
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000429919	1	38	-2.0	-106.57	345.42	5.62	-100.95
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000429920	0	46	-2.0	-106.77	400.51	6.68	-100.09
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000429921	1	38	-2.0	-96.31	340.88	5.60	-90.71
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000429922	1	38	-2.0	-109.26	340.89	5.59	-103.67
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000429923	0	42	-2.0	-114.43	369.03	5.39	-109.04
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000429924	1	42	-2.0	-95.31	372.35	6.89	-88.42
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000429926	0	38	-2.0	-104.32	353.96	6.16	-98.16
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000429927	1	38	-2.0	-104.94	353.40	5.98	-98.96
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000429928	1	44	-2.0	-111.67	373.99	6.93	-104.74
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000429929	0	38	-2.0	-106.40	346.36	5.66	-100.74
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000429930	1	44	-2.0	-94.68	384.47	7.18	-87.50
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000429931	0	35	-2.0	-103.46	334.07	4.61	-98.85
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000429932	1	41	-2.0	-109.70	356.32	6.38	-103.32
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000429934	1	39	-2.0	-107.61	347.53	4.94	-102.67
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000429936	0	38	-2.0	-99.40	350.00	5.28	-94.12
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000429938	0	35	-2.0	-104.80	332.54	4.62	-100.18
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000429939	1	46	-2.0	-109.91	399.21	5.40	-104.51
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000429941	1	48	-2.0	-113.92	396.13	8.22	-105.70
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000429942	1	47	-2.0	-111.67	391.95	7.49	-104.18
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CCOC	REAL300000429943	1	44	-2.0	-107.29	360.48	6.96	-100.33
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000429944	0	45	-2.0	-115.12	391.31	6.16	-108.96
COCCC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000429945	0	41	-2.0	-108.09	367.83	6.09	-102.00
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000429945	1	40	-3.0	-186.25	369.31	6.16	-180.09
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000429946	1	45	-2.0	-114.29	385.13	7.49	-106.80
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000429947	0	38	-2.0	-102.77	343.90	4.73	-98.04
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000429948	1	44	-2.0	-114.28	383.05	5.36	-108.92
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000429949	0	42	-2.0	-109.36	369.88	4.68	-104.68
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000429951	0	38	-2.0	-100.93	358.48	6.18	-94.75
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000429952	1	42	-2.0	-92.45	387.99	6.42	-86.03
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000429954	1	41	-2.0	-100.22	361.60	6.41	-93.81
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000429955	1	42	-2.0	-93.48	378.18	5.94	-87.54
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000429957	1	38	-2.0	-106.09	349.51	5.48	-100.61
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000429958	0	38	-2.0	-93.53	353.94	6.15	-87.38
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000429959	1	38	-2.0	-95.72	345.40	5.63	-90.09
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000429960	0	35	-2.0	-98.18	333.14	4.72	-93.46
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000429961	1	38	-2.0	-99.79	347.29	5.66	-94.13
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000429962	0	41	-2.0	-108.01	366.63	6.29	-101.72
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000429963	0	42	-2.0	-98.20	381.20	6.21	-91.99
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000429964	0	38	-2.0	-95.85	346.35	5.66	-90.19
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000429965	1	38	-2.0	-93.79	353.38	5.99	-87.80
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000429966	1	41	-2.0	-101.93	370.34	6.78	-95.15
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000429967	1	46	-2.0	-91.92	404.63	7.00	-84.92
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000429968	1	38	-2.0	-98.01	351.71	5.68	-92.33
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000429969	0	40	-2.0	-94.02	369.09	6.26	-87.76
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000429970	0	39	-2.0	-108.15	350.61	3.29	-104.86
COCCC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000429970	1	39	-2.0	-110.42	344.72	3.61	-106.81
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000429971	1	41	-2.0	-99.81	363.07	6.38	-93.43
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000429972	1	38	-2.0	-99.49	361.60	6.12	-93.37
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000429973	1	41	-2.0	-104.83	350.94	6.23	-98.60
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000429974	1	41	-2.0	-107.78	365.72	6.24	-101.54
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000429977	0	40	-2.0	-107.12	367.44	6.69	-100.43
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000429978	0	38	-2.0	-98.04	352.62	5.72	-92.32
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000429980	0	41	-2.0	-107.68	362.36	6.19	-101.49
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000429981	0	41	-2.0	-106.27	372.67	6.73	-99.54
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000429982	0	41	-2.0	-114.26	365.92	6.28	-107.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CCOC)C=C1C(=O)[O-]	REAL300000429983	1	44	-2.0	-110.99	375.18	6.78	-104.21
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000429985	1	41	-2.0	-98.24	367.15	6.77	-91.47
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000429986	1	41	-2.0	-106.65	372.11	6.55	-100.10
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CCOC)C=C1C(=O)[O-]	REAL300000429987	1	42	-2.0	-108.92	368.91	5.80	-103.12
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000429989	1	41	-2.0	-102.66	370.75	6.56	-96.10
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000429990	0	47	-2.0	-112.05	394.36	7.41	-104.64
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000429991	0	42	-2.0	-109.96	381.21	6.22	-103.74
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000429993	0	43	-2.0	-99.69	381.25	7.66	-92.03
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000429995	0	40	-2.0	-114.94	361.50	7.33	-107.61
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000429996	0	38	-2.0	-113.29	344.53	5.62	-107.67
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000429997	1	41	-2.0	-100.93	362.05	6.16	-94.77
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000429998	1	44	-2.0	-117.59	381.94	7.71	-109.88
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000429999	0	37	-2.0	-106.99	337.11	3.71	-103.28
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000430000	0	42	-2.0	-100.45	369.09	5.39	-95.06
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000430001	0	35	-2.0	-96.79	341.00	4.57	-92.22
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000430002	1	45	-2.0	-102.73	387.03	7.47	-95.26
COCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000430003	1	45	-2.0	-105.82	384.99	7.46	-98.36
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CCOC)C=C(C(=O)[O-])O1	REAL300000430004	0	41	-2.0	-102.15	356.89	5.39	-96.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)=CC=C1F	REAL300000430005	0	33	-2.0	-100.65	326.97	2.02	-98.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)C=C1	REAL300000430006	0	33	-2.0	-90.14	322.42	1.99	-88.15
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)=C1	REAL300000430007	0	33	-2.0	-102.92	322.44	1.98	-100.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)C=C1C(=O)[O-]	REAL300000430008	0	36	-2.0	-102.11	338.45	2.51	-99.60
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)=C1	REAL300000430009	0	33	-2.0	-98.85	327.91	2.05	-96.80
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)=C1	REAL300000430010	0	30	-2.0	-97.21	315.62	1.00	-96.21
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1O	REAL300000430011	0	36	-2.0	-104.32	337.87	2.75	-101.57
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)C=C1C(=O)[O-]	REAL300000430012	0	34	-2.0	-101.18	329.08	1.33	-99.85
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)=C1	REAL300000430013	0	33	-2.0	-93.14	331.57	1.68	-91.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)=CS1	REAL300000430014	0	30	-2.0	-97.22	314.08	1.02	-96.20
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)C=C(C(=O)[O-])O1	REAL300000430015	0	33	-2.0	-97.34	325.44	1.14	-96.20
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)C=C(C(=O)[O-])S1	REAL300000430016	0	33	-2.0	-99.00	331.06	1.88	-97.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)C=C1F	REAL300000430017	0	33	-2.0	-89.58	326.97	2.02	-87.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)S1	REAL300000430018	0	30	-2.0	-91.36	314.70	1.11	-90.25
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)=C1	REAL300000430019	0	33	-2.0	-92.43	328.85	2.05	-90.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)C(F)=C1	REAL300000430020	0	33	-2.0	-89.56	327.90	2.06	-87.50
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)=C1	REAL300000430021	0	34	-2.0	-103.22	332.15	-0.31	-103.53
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)C=C1	REAL300000430022	0	36	-2.0	-93.49	344.61	2.77	-90.72
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1O	REAL300000430023	0	36	-2.0	-97.36	332.47	2.62	-94.74
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1O	REAL300000430024	0	36	-2.0	-90.76	337.85	2.75	-88.01
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)C=C1C(=O)[O-]	REAL300000430025	0	37	-2.0	-102.44	350.46	2.20	-100.24
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)=CC=C1C(=O)[O-]	REAL300000430026	0	36	-2.0	-91.83	342.50	2.63	-89.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)=C1F	REAL300000430027	0	33	-2.0	-104.57	326.09	2.01	-102.56
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)=C1	REAL300000430028	0	32	-2.0	-99.14	318.65	0.10	-99.04
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2O)C=C(C(=O)[O-])O1	REAL300000430029	0	36	-2.0	-97.37	344.55	1.98	-95.39
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000430030	1	43	-2.0	-114.28	383.36	7.73	-106.55
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000430031	1	43	-2.0	-103.86	378.80	7.71	-96.15
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000430032	1	43	-2.0	-117.32	378.82	7.70	-109.62
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000430033	1	46	-2.0	-118.65	394.84	8.23	-110.42
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000430034	0	43	-2.0	-115.75	384.30	7.76	-107.99
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000430035	0	40	-2.0	-111.24	372.01	6.71	-104.53
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000430036	1	46	-2.0	-119.32	394.25	8.49	-110.83
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000430037	0	44	-2.0	-115.40	385.47	7.05	-108.35
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000430038	0	43	-2.0	-107.23	387.96	7.39	-99.84
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000430039	0	40	-2.0	-112.69	370.47	6.73	-105.96
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000430040	0	43	-2.0	-111.39	381.83	6.83	-104.56
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000430041	0	43	-2.0	-115.09	388.51	7.59	-107.50
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000430042	1	43	-2.0	-103.09	383.35	7.74	-95.35
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000430043	0	40	-2.0	-105.87	371.08	6.83	-99.04
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000430044	1	43	-2.0	-107.75	385.24	7.77	-99.98
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000430045	0	43	-2.0	-103.41	384.28	7.77	-95.64
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000430046	0	44	-2.0	-118.46	388.54	5.41	-113.05
COC(=O)C1=CC=C(C(C)C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000430046	1	44	-2.0	-117.71	385.47	6.26	-111.45
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000430047	1	46	-2.0	-108.55	401.01	8.48	-100.07
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000430048	1	46	-2.0	-112.26	388.86	8.34	-103.92
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000430049	1	46	-2.0	-104.07	394.24	8.47	-95.60
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000430050	0	47	-2.0	-116.65	406.77	7.91	-108.74
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000430051	1	46	-2.0	-104.16	394.83	8.24	-95.92
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000430052	0	43	-2.0	-120.40	382.45	7.72	-112.68
COC(=O)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000430053	0	42	-2.0	-116.05	375.80	5.75	-110.30
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=CC=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000430054	0	46	-2.0	-111.26	399.95	7.66	-103.60
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)=C21	REAL300000430055	0	42	-2.0	-91.67	372.67	5.48	-86.19
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C21	REAL300000430056	0	35	-2.0	-108.05	320.75	6.93	-101.12
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C(=CC=C1)C=CN2C	REAL300000430057	0	43	-2.0	-110.01	375.83	7.99	-102.02
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C21	REAL300000430058	0	35	-2.0	-97.93	316.20	6.89	-91.04
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C21	REAL300000430059	0	35	-2.0	-110.84	316.22	6.89	-103.95
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C(=CC=C1)C=CN2C	REAL300000430060	0	39	-2.0	-117.07	344.35	6.69	-110.38
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C21	REAL300000430061	0	39	-2.0	-97.75	347.66	8.19	-89.56
CC1=CC=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000430062	0	38	-2.0	-112.23	332.23	7.43	-104.80
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C21	REAL300000430063	0	35	-2.0	-106.93	329.28	7.47	-99.46
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C21	REAL300000430064	0	35	-2.0	-106.48	328.72	7.29	-99.19
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C=C3Cl)=C21	REAL300000430065	0	35	-2.0	-102.37	341.78	7.85	-94.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)=C1C	REAL300000430066	0	41	-2.0	-114.48	348.61	8.20	-106.28
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C21	REAL300000430067	0	35	-2.0	-108.97	321.68	6.96	-102.01
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C21	REAL300000430068	0	41	-2.0	-97.26	359.78	8.49	-88.77
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C21	REAL300000430069	0	32	-2.0	-105.09	309.40	5.91	-99.18
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C(=CC=C1)C=CN2C	REAL300000430070	0	38	-2.0	-112.53	331.65	7.68	-104.85
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C21	REAL300000430071	0	39	-2.0	-96.37	347.28	7.18	-89.19
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C21	REAL300000430072	0	36	-2.0	-108.96	322.86	6.24	-102.72
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C(=CC=C1)C=CN2C	REAL300000430073	1	39	-2.0	-113.29	339.99	5.73	-107.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)=C1	REAL300000430074	0	35	-2.0	-100.93	325.32	6.58	-94.35
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000430075	0	41	-2.0	-115.10	351.66	8.32	-106.78
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C21	REAL300000430076	0	32	-2.0	-106.40	307.86	5.93	-100.47
COC1=CC(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)=CC(C(=O)[O-])=C1OC	REAL300000430077	0	43	-2.0	-110.97	374.52	6.71	-104.26
COC1=CC=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000430078	0	39	-2.0	-116.65	343.49	6.96	-109.69
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)=C21	REAL300000430079	0	45	-2.0	-116.53	371.44	9.52	-107.01
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C(=CC=C1)C=CN2C	REAL300000430080	0	44	-2.0	-114.63	366.61	8.79	-105.84
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C(=CC=C1)C=CN2C	REAL300000430081	0	41	-2.0	-111.00	339.93	8.23	-102.77
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C(=CC=C1)C=CN2C	REAL300000430082	0	42	-2.0	-116.74	366.64	7.45	-109.29
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=C21	REAL300000430083	0	37	-3.0	-186.20	344.62	7.46	-178.74
CN1C=CC2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=C21	REAL300000430083	1	38	-2.0	-111.44	342.12	7.41	-104.03
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C21	REAL300000430084	0	42	-2.0	-116.87	360.46	8.79	-108.08
CC1=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C=C(C(=O)[O-])O1	REAL300000430085	0	35	-2.0	-104.83	319.22	6.03	-98.80
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)=C21	REAL300000430086	0	41	-2.0	-115.57	358.38	6.67	-108.90
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)=C1	REAL300000430087	0	39	-2.0	-110.47	345.13	5.98	-104.49
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)=C21	REAL300000430088	0	43	-2.0	-97.16	369.12	7.51	-89.65
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(Cl)=C(Cl)C(C(=O)[O-])=C3)=C21	REAL300000430089	0	35	-2.0	-100.13	343.89	7.75	-92.38
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=C21	REAL300000430090	0	35	-2.0	-103.36	333.80	7.50	-95.86
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)=C21	REAL300000430091	0	39	-2.0	-94.81	363.31	7.72	-87.09
CC1=CC(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)=CC=C1OCC(=O)[O-]	REAL300000430092	0	42	-2.0	-96.85	367.37	7.88	-88.97
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C(=CC=C1)C=CN2C	REAL300000430093	0	38	-2.0	-102.95	336.51	7.73	-95.22
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=C21	REAL300000430094	0	39	-2.0	-95.71	353.51	7.24	-88.47
CCOC1=CC=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000430095	0	42	-2.0	-117.56	365.34	7.87	-109.69
CC1=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C=C(C(=O)[O-])S1	REAL300000430096	0	35	-2.0	-108.56	325.90	6.78	-101.78
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3Cl)=C21	REAL300000430097	0	35	-2.0	-100.37	344.44	7.91	-92.46
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C21	REAL300000430098	0	35	-2.0	-95.16	329.26	7.47	-87.69
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C21	REAL300000430099	0	35	-2.0	-97.26	320.75	6.94	-90.32
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C21	REAL300000430100	0	32	-2.0	-99.69	308.47	6.02	-93.67
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C21	REAL300000430101	0	35	-2.0	-101.70	322.62	6.96	-94.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)=C1F	REAL300000430102	0	38	-2.0	-110.34	341.97	7.60	-102.74
COC1=CC(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)=C(Cl)C=C1C(=O)[O-]	REAL300000430103	0	39	-2.0	-99.66	356.52	7.53	-92.13
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C21	REAL300000430104	0	35	-2.0	-97.38	321.67	6.97	-90.41
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C21	REAL300000430105	0	35	-2.0	-95.37	328.71	7.30	-88.07
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C(=CC=C1)C=CN2C	REAL300000430106	0	38	-2.0	-104.70	345.25	8.11	-96.59
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)=C21	REAL300000430107	0	43	-2.0	-94.54	379.95	8.31	-86.23
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C21	REAL300000430108	0	35	-2.0	-99.43	327.03	6.99	-92.44
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=C21	REAL300000430109	0	37	-2.0	-95.68	344.40	7.56	-88.12
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C21	REAL300000430110	0	36	-2.0	-111.76	325.93	4.61	-107.15
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C21	REAL300000430111	0	38	-2.0	-102.43	338.38	7.68	-94.75
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=C21	REAL300000430112	0	35	-2.0	-100.96	336.92	7.43	-93.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C2C(=CC=C1)C=CN2C	REAL300000430113	0	38	-2.0	-105.97	326.25	7.52	-98.45
CC1=CC(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)=CC(C(=O)[O-])=C1F	REAL300000430114	0	38	-2.0	-109.63	341.06	7.55	-102.08
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2C(=CC=C1)C=CN2C	REAL300000430115	0	38	-2.0	-97.99	331.63	7.67	-90.32
CC1=CC(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)=CC(C(=O)[O-])=C1C	REAL300000430116	0	41	-2.0	-115.23	353.71	8.08	-107.15
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=C21	REAL300000430117	0	37	-2.0	-108.62	342.77	7.98	-100.64
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C21	REAL300000430118	0	35	-2.0	-100.13	327.94	7.02	-93.11
CC1=CC=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C(C)=C1C(=O)[O-]	REAL300000430119	0	41	-2.0	-110.15	349.75	8.31	-101.84
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000430120	0	38	-2.0	-111.23	341.52	7.59	-103.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)=C1Cl	REAL300000430121	0	38	-2.0	-108.67	347.97	8.04	-100.63
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)=C1	REAL300000430122	0	38	-2.0	-114.67	341.24	7.59	-107.08
CCC1=CC=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000430123	0	41	-2.0	-112.83	350.15	8.08	-104.75
COC1=CC=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C=C1CC(=O)[O-]	REAL300000430124	0	42	-2.0	-111.91	366.67	7.03	-104.88
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C2C(=CC=C1)C=CN2C	REAL300000430125	0	38	-2.0	-99.23	342.47	8.08	-91.15
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)=C21	REAL300000430126	0	38	-2.0	-94.32	346.33	7.70	-86.62
CC1=CC(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)=CC(C(=O)[O-])=C1Cl	REAL300000430127	0	38	-2.0	-108.47	347.45	7.84	-100.63
CCN1C=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000430128	0	39	-2.0	-110.27	344.23	7.11	-103.16
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C(C)=C1CC(=O)[O-]	REAL300000430129	1	47	-2.0	-109.77	381.36	9.76	-100.01
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000430130	0	38	-2.0	-105.19	349.98	7.95	-97.24
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)=C21	REAL300000430131	0	44	-2.0	-107.18	360.85	8.77	-98.41
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000430132	0	39	-2.0	-112.37	356.53	7.53	-104.84
CC1=CC(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)=CC=C1C(=O)[O-]	REAL300000430133	0	38	-2.0	-98.04	332.22	7.44	-90.60
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])=C21	REAL300000430134	0	40	-2.0	-102.79	359.46	9.09	-93.70
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C(=CC=C1)C=CN2C	REAL300000430135	0	38	-2.0	-109.97	335.74	7.74	-102.23
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=C21	REAL300000430136	0	37	-2.0	-116.36	338.67	8.71	-107.65
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C21	REAL300000430137	0	35	-2.0	-113.91	319.84	6.92	-106.99
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000430138	0	38	-2.0	-103.37	341.17	7.56	-95.81
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=C21	REAL300000430139	0	41	-2.0	-118.95	357.24	9.01	-109.94
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C21	REAL300000430140	0	34	-2.0	-109.00	313.20	4.96	-104.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2C(=CC=C1)C=CN2C	REAL300000430141	0	39	-2.0	-102.21	344.41	6.69	-95.52
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C21	REAL300000430142	0	32	-2.0	-98.53	316.31	5.86	-92.67
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C21	REAL300000430143	0	42	-2.0	-105.04	362.34	8.78	-96.26
CN1C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C21	REAL300000430144	0	42	-2.0	-106.34	360.30	8.76	-97.58
CCC1=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)C=CN3C)C=C(C(=O)[O-])O1	REAL300000430145	0	38	-2.0	-103.63	335.06	6.74	-96.89
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000430146	0	34	-2.0	-106.69	329.92	5.80	-100.89
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)=CS1	REAL300000430147	0	34	-2.0	-100.34	325.37	5.77	-94.57
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)=CS1	REAL300000430148	0	34	-2.0	-116.78	325.33	5.80	-110.98
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C)=CS1	REAL300000430149	0	38	-2.0	-119.02	353.52	5.52	-113.50
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C)=CS1	REAL300000430150	0	38	-2.0	-98.27	356.82	7.05	-91.22
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000430151	0	37	-2.0	-110.51	341.45	6.30	-104.21
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C)=CS1	REAL300000430152	0	34	-2.0	-103.18	333.76	6.21	-96.97
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000430153	0	34	-2.0	-105.25	337.89	6.15	-99.10
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C)=CS1	REAL300000430154	0	40	-2.0	-117.61	357.29	7.11	-110.50
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=CS1	REAL300000430155	0	34	-2.0	-107.70	331.66	5.62	-102.08
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C)=CS1	REAL300000430156	0	40	-2.0	-97.80	368.94	7.35	-90.45
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=CS1	REAL300000430157	0	31	-2.0	-110.01	318.56	4.79	-105.22
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C)=CS1	REAL300000430158	0	37	-2.0	-115.21	339.95	6.51	-108.70
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C)=CS1	REAL300000430159	0	38	-2.0	-97.54	356.44	6.04	-91.50
COC(=O)C1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000430160	0	35	-2.0	-114.17	332.02	5.13	-109.04
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C)=CS1	REAL300000430161	0	38	-2.0	-107.28	344.30	4.46	-102.82
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=CS1	REAL300000430162	0	34	-2.0	-102.27	334.49	5.45	-96.82
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C)=CS1	REAL300000430163	0	40	-2.0	-116.75	355.42	7.10	-109.65
COC(=O)C1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=CS1	REAL300000430164	0	31	-2.0	-111.70	316.98	4.83	-106.87
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000430165	0	38	-2.0	-122.69	352.67	5.84	-116.85
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C)=CS1	REAL300000430166	0	43	-2.0	-117.08	377.73	7.71	-109.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)OC)SC=C1C	REAL300000430167	0	40	-2.0	-113.00	354.83	7.47	-105.53
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(C)=CS1	REAL300000430168	0	41	-2.0	-116.04	375.81	6.29	-109.75
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=CS1	REAL300000430169	0	36	-3.0	-192.00	353.71	6.31	-185.69
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C)=CS1	REAL300000430170	0	41	-2.0	-119.64	369.51	7.67	-111.97
COC(=O)C1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=CS1	REAL300000430171	0	34	-2.0	-108.36	328.62	4.88	-103.48
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C)=CS1	REAL300000430172	0	38	-2.0	-112.69	354.30	4.84	-107.85
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(C)=CS1	REAL300000430173	0	41	-2.0	-97.94	376.53	6.75	-91.19
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=CS1	REAL300000430174	0	37	-2.0	-105.85	345.22	6.56	-99.29
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)OC)SC=C2C)C=C1C(=O)[O-]	REAL300000430175	0	41	-2.0	-115.84	374.52	6.74	-109.10
COC(=O)C1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=CS1	REAL300000430176	0	34	-2.0	-111.52	335.07	5.67	-105.85
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=CS1	REAL300000430177	0	34	-2.0	-97.49	338.28	6.34	-91.15
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=CS1	REAL300000430178	0	34	-2.0	-99.25	329.91	5.80	-93.45
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=CS1	REAL300000430179	0	31	-2.0	-101.15	317.53	4.92	-96.23
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=CS1	REAL300000430180	0	34	-2.0	-106.77	331.80	5.84	-100.93
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C)=CS1	REAL300000430181	0	37	-2.0	-112.55	351.15	6.46	-106.09
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=CS1	REAL300000430182	0	34	-2.0	-99.21	330.84	5.83	-93.38
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=CS1	REAL300000430183	0	34	-2.0	-97.53	337.88	6.17	-91.36
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000430184	0	34	-2.0	-105.06	336.20	5.85	-99.21
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=CS1	REAL300000430185	0	35	-2.0	-112.66	335.09	3.43	-109.23
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)=CS1	REAL300000430186	0	37	-2.0	-102.56	347.54	6.54	-96.02
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C)=CS1	REAL300000430187	0	37	-2.0	-108.90	338.52	6.49	-102.41
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000430188	0	37	-2.0	-108.35	350.21	6.41	-101.94
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C)=CS1	REAL300000430189	0	37	-2.0	-100.91	339.94	6.51	-94.40
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000430190	0	40	-2.0	-121.00	362.86	6.98	-114.02
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=CS1	REAL300000430191	0	34	-2.0	-102.52	337.13	5.90	-96.62
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C)=CS1	REAL300000430192	0	40	-2.0	-112.23	358.68	7.18	-105.05
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C)=CS1	REAL300000430193	0	37	-2.0	-113.33	350.44	6.48	-106.85
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C)=CS1	REAL300000430194	0	37	-2.0	-115.89	350.41	6.46	-109.43
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)OC)SC=C2C)C=C1C(=O)[O-]	REAL300000430195	0	40	-2.0	-111.16	359.65	6.95	-104.21
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C(C)=CS1	REAL300000430196	0	41	-2.0	-119.53	375.85	5.89	-113.64
CCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)OC)SC=C2C)C=C1C(=O)[O-]	REAL300000430197	0	38	-2.0	-115.61	353.38	6.00	-109.61
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C)=CS1	REAL300000430198	0	37	-2.0	-100.92	341.59	6.31	-94.61
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C)=CS1	REAL300000430199	0	37	-2.0	-113.05	344.14	6.60	-106.45
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=CS1	REAL300000430200	0	34	-2.0	-114.77	329.04	5.80	-108.97
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000430201	0	37	-2.0	-102.02	345.96	6.36	-95.66
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=CS1	REAL300000430202	0	33	-2.0	-109.09	322.36	3.83	-105.26
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C)=CS1	REAL300000430203	0	38	-2.0	-104.22	353.58	5.54	-98.68
COC(=O)C1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=CS1	REAL300000430204	0	31	-2.0	-101.99	325.52	4.74	-97.25
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C)=CS1	REAL300000430205	0	41	-2.0	-107.50	371.51	7.65	-99.85
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C)=CS1	REAL300000430206	0	41	-2.0	-106.47	370.74	7.63	-98.84
CCC1=C(S(=O)(=O)[N-]C2=C(C(=O)OC)SC=C2C)C=C(C(=O)[O-])O1	REAL300000430207	0	37	-2.0	-107.90	347.41	5.73	-102.17
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430208	0	42	-2.0	-110.29	380.94	6.29	-104.00
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000430209	0	41	-2.0	-105.77	362.07	5.49	-100.28
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000430211	0	36	-2.0	-114.33	334.66	5.93	-108.40
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000430212	0	38	-3.0	-158.72	359.61	5.35	-153.37
COC1=CC(C=CC(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000430212	1	39	-2.0	-101.49	359.58	5.28	-96.21
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000430213	0	35	-2.0	-98.03	338.02	4.27	-93.76
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000430214	0	37	-2.0	-104.08	346.98	6.04	-98.04
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000430215	0	37	-2.0	-100.04	346.96	6.03	-94.01
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000430216	0	36	-2.0	-103.63	348.38	6.22	-97.41
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000430217	0	37	-2.0	-113.89	344.25	5.92	-107.97
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000430218	0	38	-3.0	-170.93	359.15	6.22	-164.71
COC1=CC(C=CC(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000430218	1	39	-2.0	-118.85	359.07	6.17	-112.68
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300000430219	0	41	-2.0	-105.34	370.35	6.82	-98.52
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000430220	0	46	-2.0	-108.73	388.87	8.13	-100.60
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000430221	0	38	-3.0	-159.68	354.59	6.21	-153.47
COC1=CC(C=CC(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000430221	1	39	-2.0	-103.77	354.45	6.14	-97.63
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430222	0	44	-2.0	-115.22	383.89	4.71	-110.51
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1OC	REAL300000430223	0	44	-2.0	-105.66	384.90	4.85	-100.81
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000430224	0	43	-2.0	-108.94	371.68	7.54	-101.40
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)ON=C1C	REAL300000430225	0	38	-2.0	-97.70	339.23	4.59	-93.11
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000430226	0	38	-3.0	-174.03	354.61	6.19	-167.84
COC1=CC(C=CC(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000430226	1	39	-2.0	-101.67	354.58	6.14	-95.53
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000430227	0	36	-2.0	-97.84	338.85	5.75	-92.09
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1	REAL300000430228	0	39	-2.0	-108.08	347.58	6.31	-101.77
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000430230	0	36	-2.0	-103.94	342.88	6.15	-97.79
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300000430231	0	41	-2.0	-105.99	367.39	6.05	-99.94
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C	REAL300000430232	0	42	-2.0	-107.92	363.05	7.07	-100.85
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C)=C1	REAL300000430233	0	42	-2.0	-108.83	364.57	6.84	-101.99
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000430234	0	36	-2.0	-98.00	348.74	6.20	-91.80
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300000430235	0	41	-2.0	-116.76	367.42	6.03	-110.73
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C	REAL300000430236	0	42	-2.0	-107.35	363.05	7.08	-100.27
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300000430237	0	48	-2.0	-106.56	402.35	7.97	-98.59
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300000430238	0	45	-2.0	-106.58	386.37	7.57	-99.01
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1	REAL300000430239	0	48	-2.0	-106.39	404.82	8.23	-98.16
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000430240	0	33	-2.0	-99.99	335.12	5.25	-94.74
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1	REAL300000430241	0	45	-2.0	-106.52	390.54	7.86	-98.66
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430242	0	40	-2.0	-113.74	354.41	5.43	-108.31
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000430243	0	41	-3.0	-175.46	370.63	6.72	-168.74
COC1=CC(C=CC(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000430243	1	42	-2.0	-117.36	370.41	6.66	-110.70
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000430244	0	36	-2.0	-101.56	344.21	5.82	-95.74
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000430245	0	36	-2.0	-107.97	339.29	6.20	-101.77
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000430246	0	38	-2.0	-104.41	354.37	6.30	-98.11
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300000430247	0	41	-2.0	-104.40	369.86	7.07	-97.33
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000430248	0	33	-2.0	-105.44	318.08	4.64	-100.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1	REAL300000430249	0	40	-2.0	-105.17	355.64	4.94	-100.23
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000430250	0	38	-2.0	-117.44	347.24	7.06	-110.38
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1	REAL300000430251	0	39	-2.0	-107.46	347.55	6.32	-101.14
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1	REAL300000430252	0	43	-2.0	-104.78	377.49	5.87	-98.91
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000430253	0	36	-2.0	-103.01	338.06	5.76	-97.25
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000430254	0	36	-2.0	-104.10	332.55	5.70	-98.40
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000430255	0	36	-2.0	-98.25	338.97	5.78	-92.47
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300000430256	0	48	-2.0	-107.36	389.66	8.33	-99.03
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000430257	0	42	-2.0	-107.48	370.64	4.79	-102.69
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300000430258	0	45	-2.0	-106.89	377.69	7.98	-98.91
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000430259	0	36	-2.0	-100.94	342.88	6.16	-94.78
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000430260	0	38	-2.0	-96.11	354.37	6.31	-89.80
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000430261	0	36	-2.0	-107.41	326.14	5.63	-101.78
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300000430262	0	43	-2.0	-112.78	382.49	4.52	-108.26
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)S1	REAL300000430263	0	36	-2.0	-106.46	339.98	5.43	-101.03
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300000430264	0	40	-2.0	-106.90	371.14	5.94	-100.96
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000430265	0	38	-3.0	-171.41	360.09	6.25	-165.16
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300000430266	0	41	-2.0	-102.32	364.39	6.90	-95.42
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000430267	0	36	-2.0	-106.47	338.05	5.76	-100.71
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000430268	0	40	-2.0	-103.04	361.89	2.45	-100.59
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(SC)C=C1	REAL300000430269	0	40	-2.0	-104.88	366.34	6.67	-98.21
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000430270	0	41	-2.0	-103.97	368.17	4.09	-99.88
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000430271	0	35	-3.0	-167.26	347.80	5.23	-162.03
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000430272	0	39	-2.0	-102.66	357.90	3.14	-99.52
COC(=O)CCS(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430273	0	38	-2.0	-102.07	344.83	4.19	-97.88
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000430274	0	41	-3.0	-175.03	370.05	6.98	-168.05
COC1=CC(C=CC(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000430274	1	42	-2.0	-115.89	371.06	6.99	-108.90
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300000430275	0	42	-2.0	-105.56	362.85	4.66	-100.90
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1	REAL300000430276	0	42	-2.0	-102.27	380.91	6.31	-95.96
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1	REAL300000430277	0	43	-2.0	-106.46	382.58	3.92	-102.54
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000430278	0	40	-2.0	-106.51	360.65	2.42	-104.09
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1	REAL300000430279	0	42	-2.0	-106.90	369.04	7.08	-99.82
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000430280	0	42	-2.0	-109.72	372.09	7.92	-101.80
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=CS1	REAL300000430281	0	39	-2.0	-115.78	365.73	5.95	-109.83
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1	REAL300000430282	0	46	-2.0	-105.89	402.72	6.16	-99.73
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300000430283	0	48	-2.0	-106.77	407.29	8.33	-98.44
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000430284	0	36	-2.0	-100.36	332.55	5.71	-94.65
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000430285	0	36	-2.0	-111.21	331.63	5.70	-105.51
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300000430286	0	44	-2.0	-122.13	387.50	6.92	-115.21
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1	REAL300000430287	0	46	-2.0	-104.30	398.99	6.67	-97.63
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1Cl	REAL300000430288	0	39	-2.0	-107.79	360.69	6.86	-100.93
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C	REAL300000430289	0	39	-2.0	-100.30	348.03	6.48	-93.82
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000430290	0	36	-2.0	-100.35	345.68	6.26	-94.09
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000430292	0	39	-3.0	-171.63	361.26	5.55	-166.08
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000430293	0	36	-2.0	-113.46	343.62	5.22	-108.24
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000430294	0	41	-2.0	-105.24	368.10	1.81	-103.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1Cl	REAL300000430295	0	40	-2.0	-103.60	371.68	5.49	-98.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1F	REAL300000430296	0	40	-2.0	-103.48	361.87	5.02	-98.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1C	REAL300000430297	0	43	-2.0	-106.08	375.73	5.68	-100.40
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1C	REAL300000430298	0	46	-2.0	-105.64	397.59	6.60	-99.04
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1	REAL300000430299	0	43	-2.0	-102.26	376.76	3.09	-99.17
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000430300	0	36	-2.0	-104.23	330.70	3.35	-100.88
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300000430301	0	41	-2.0	-95.97	369.86	7.08	-88.89
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCC1=CC=CC=C1	REAL300000430302	1	42	-2.0	-103.91	370.77	7.17	-96.74
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=CN1C	REAL300000430303	0	44	-2.0	-105.70	390.03	3.29	-102.41
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300000430304	0	39	-2.0	-103.98	358.37	6.92	-97.06
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCOC1=CC=C(F)C=C1	REAL300000430305	0	43	-2.0	-99.96	385.66	6.04	-93.92
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300000430306	0	46	-2.0	-105.76	399.73	6.52	-99.24
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000430307	0	38	-3.0	-162.76	363.72	5.88	-156.88
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000430308	0	37	-2.0	-97.21	362.37	6.44	-90.77
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000430309	0	37	-2.0	-97.78	362.39	6.44	-91.34
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000430310	0	40	-2.0	-111.79	364.51	6.00	-105.79
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300000430311	0	39	-2.0	-104.55	361.62	6.75	-97.80
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000430312	0	36	-2.0	-107.97	347.81	6.21	-101.76
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300000430313	0	39	-2.0	-104.46	352.88	6.35	-98.11
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300000430314	0	39	-2.0	-100.89	358.37	6.91	-93.98
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000430315	0	39	-2.0	-111.48	353.06	6.36	-105.12
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C	REAL300000430316	0	39	-2.0	-104.25	348.04	6.47	-97.78
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CCCl)C=C1	REAL300000430317	0	42	-2.0	-105.75	386.19	7.71	-98.04
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300000430318	0	41	-2.0	-118.46	359.78	7.89	-110.57
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300000430319	0	44	-2.0	-122.35	387.42	6.92	-115.43
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000430320	0	35	-3.0	-168.97	346.26	5.23	-163.74
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300000430321	0	44	-2.0	-107.64	376.26	7.03	-100.61
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000430322	0	38	-2.0	-110.90	353.63	7.13	-103.77
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000430323	0	38	-2.0	-114.08	359.55	7.02	-107.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C(C)=C1	REAL300000430324	0	43	-2.0	-105.14	371.11	5.71	-99.43
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1C	REAL300000430325	0	46	-2.0	-106.14	391.18	6.44	-99.70
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1O	REAL300000430326	0	40	-2.0	-109.80	357.34	3.99	-105.81
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000430327	0	33	-2.0	-101.59	307.73	2.03	-99.56
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)S1	REAL300000430328	0	39	-2.0	-100.50	374.02	5.39	-95.11
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000430329	0	40	-2.0	-99.64	363.97	6.01	-93.63
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000430330	0	36	-2.0	-104.52	341.07	5.98	-98.54
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000430331	0	38	-3.0	-166.11	357.62	5.35	-160.76
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000430332	0	39	-2.0	-126.87	354.35	4.85	-122.02
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430333	0	46	-2.0	-115.39	397.67	7.02	-108.37
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000430334	0	38	-2.0	-121.12	352.13	7.27	-113.85
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000430335	0	43	-2.0	-105.26	386.72	6.76	-98.50
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000430336	0	35	-2.0	-98.31	327.56	3.92	-94.39
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430337	0	39	-2.0	-105.72	374.20	5.31	-100.41
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300000430338	0	41	-2.0	-108.22	362.31	6.07	-102.15
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000430339	0	36	-2.0	-114.49	330.17	4.73	-109.76
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C(C)=C1	REAL300000430340	0	46	-2.0	-104.69	392.96	6.63	-98.06
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300000430341	0	40	-2.0	-98.01	365.90	2.61	-95.40
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000430342	0	36	-2.0	-96.79	342.10	4.17	-92.62
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000430343	0	36	-2.0	-108.81	337.92	5.77	-103.04
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C(F)=C1	REAL300000430344	0	40	-2.0	-109.63	364.14	5.23	-104.40
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000430345	0	42	-2.0	-112.48	369.28	5.28	-107.20
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C)=N1	REAL300000430346	0	39	-2.0	-116.23	349.84	4.52	-111.71
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000430347	0	40	-2.0	-109.46	364.17	5.68	-103.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=N1	REAL300000430348	0	39	-2.0	-104.29	352.23	4.20	-100.09
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430349	0	43	-2.0	-109.11	381.22	5.35	-103.76
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000430350	0	41	-2.0	-105.58	362.13	4.93	-100.65
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000430351	0	36	-2.0	-103.55	345.68	6.26	-97.29
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCOCC(F)(F)F	REAL300000430352	0	39	-2.0	-99.97	364.47	3.86	-96.11
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300000430353	0	44	-2.0	-105.93	383.06	6.24	-99.69
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1C	REAL300000430354	0	36	-2.0	-102.13	326.54	2.68	-99.45
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430355	0	40	-2.0	-109.08	355.64	4.93	-104.15
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C	REAL300000430356	0	39	-2.0	-107.26	341.64	6.40	-100.86
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000430357	0	36	-2.0	-112.75	331.16	3.17	-109.58
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000430358	0	36	-2.0	-99.34	326.39	3.26	-96.08
COCCS(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430359	0	36	-2.0	-100.58	323.04	2.43	-98.15
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000430360	0	40	-2.0	-109.39	345.50	3.82	-105.57
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC1CCCCO1	REAL300000430361	0	43	-2.0	-107.80	363.00	4.89	-102.91
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1F	REAL300000430364	0	39	-2.0	-110.83	353.06	6.38	-104.45
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C)=C1	REAL300000430365	0	39	-2.0	-100.90	352.87	6.33	-94.57
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000430366	0	33	-2.0	-112.70	307.45	3.05	-109.65
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)O1	REAL300000430367	0	39	-2.0	-101.14	365.70	4.44	-96.70
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000430368	0	41	-2.0	-122.13	366.09	6.28	-115.85
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000430369	0	36	-2.0	-98.72	344.36	5.83	-92.89
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000430370	0	38	-3.0	-170.60	363.24	6.10	-164.50
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430371	0	40	-2.0	-108.75	368.75	5.50	-103.25
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300000430372	0	38	-2.0	-98.84	356.80	4.86	-93.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C(C)=C1C	REAL300000430373	0	46	-2.0	-106.05	387.49	6.34	-99.71
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300000430375	0	48	-2.0	-106.08	405.27	6.24	-99.84
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CS1	REAL300000430376	0	36	-2.0	-106.47	334.38	5.45	-101.02
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1C	REAL300000430377	0	45	-2.0	-105.66	384.66	5.53	-100.13
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300000430378	0	41	-2.0	-96.65	370.38	6.83	-89.82
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300000430381	0	40	-2.0	-104.00	362.39	6.81	-97.19
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC	REAL300000430382	0	40	-2.0	-108.53	363.79	6.10	-102.43
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1C	REAL300000430383	0	40	-2.0	-99.91	362.40	6.81	-93.10
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000430385	0	37	-2.0	-102.66	352.45	6.09	-96.57
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300000430386	0	41	-2.0	-104.84	369.79	3.29	-101.55
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000430387	0	42	-2.0	-104.33	370.91	4.72	-99.61
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000430389	0	41	-2.0	-107.53	367.13	6.02	-101.51
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=N1	REAL300000430390	0	42	-2.0	-109.84	385.53	4.40	-105.44
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000430391	0	42	-2.0	-113.41	370.12	4.08	-109.33
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000430394	0	36	-2.0	-92.94	345.14	5.82	-87.12
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCOC(C)C	REAL300000430395	0	42	-2.0	-101.06	365.17	4.14	-96.92
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=CN1C	REAL300000430396	0	43	-2.0	-109.57	387.31	5.75	-103.82
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000430397	0	38	-3.0	-158.91	359.15	6.24	-152.67
COC1=CC(C=CC(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000430397	1	39	-2.0	-106.86	358.91	6.17	-100.69
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300000430398	0	42	-2.0	-101.55	373.19	6.97	-94.58
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000430399	0	35	-3.0	-161.51	346.87	5.32	-156.19
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000430400	0	45	-2.0	-113.71	390.73	6.62	-107.09
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000430401	0	38	-3.0	-164.27	361.03	6.26	-158.01
COC1=CC(C=CC(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000430401	1	39	-2.0	-110.20	361.00	6.20	-104.00
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=CN1	REAL300000430402	0	40	-2.0	-107.11	369.55	3.98	-103.13
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000430403	0	38	-3.0	-159.36	360.08	6.26	-153.10
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000430404	0	39	-2.0	-103.57	346.53	6.47	-97.10
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=CS1	REAL300000430405	0	39	-2.0	-106.00	373.42	5.32	-100.68
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)N=C(C)S1	REAL300000430406	0	38	-2.0	-103.34	350.42	4.24	-99.10
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000430407	0	40	-2.0	-112.60	368.40	6.81	-105.79
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430408	0	42	-2.0	-108.32	369.04	7.06	-101.26
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300000430409	0	39	-2.0	-104.12	353.98	6.37	-97.75
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430411	0	42	-2.0	-102.20	384.05	5.09	-97.11
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300000430412	0	39	-2.0	-103.19	358.34	6.40	-96.79
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000430413	0	42	-2.0	-114.75	367.20	7.96	-106.79
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000430414	0	38	-2.0	-104.44	358.14	5.11	-99.33
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000430415	0	39	-3.0	-173.72	364.33	3.89	-169.83
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000430416	0	46	-2.0	-110.65	381.47	8.25	-102.40
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000430417	0	41	-3.0	-164.11	376.78	6.99	-157.12
COC1=CC(C=CC(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000430417	1	42	-2.0	-101.78	376.72	6.91	-94.87
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)O1	REAL300000430418	0	42	-2.0	-101.18	387.56	5.36	-95.82
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000430419	0	38	-2.0	-96.67	360.79	6.38	-90.29
COC1=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)SC=C1	REAL300000430421	0	37	-2.0	-114.87	348.32	3.91	-110.96
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000430422	0	39	-2.0	-108.79	355.92	6.03	-102.76
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300000430423	0	44	-2.0	-123.76	387.67	6.89	-116.87
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430424	0	38	-2.0	-110.89	359.40	4.38	-106.51
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000430425	0	36	-2.0	-97.03	341.12	4.60	-92.43
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000430426	0	36	-2.0	-109.70	346.33	4.46	-105.24
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430427	0	44	-2.0	-109.81	385.13	4.25	-105.56
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000430428	0	37	-2.0	-110.91	341.99	4.38	-106.53
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000430429	0	37	-2.0	-98.45	348.37	3.47	-94.98
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C)S1	REAL300000430430	0	35	-2.0	-103.20	334.68	3.47	-99.73
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000430431	0	41	-3.0	-170.29	364.65	6.83	-163.46
COC1=CC(C=CC(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000430431	1	42	-2.0	-101.01	365.55	6.88	-94.13
COCCOCCS(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430432	0	43	-2.0	-103.18	378.52	2.66	-100.52
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000430433	0	41	-3.0	-160.00	370.02	6.97	-153.03
COC1=CC(C=CC(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000430433	1	42	-2.0	-105.06	371.03	7.01	-98.05
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300000430434	0	37	-2.0	-104.03	355.45	6.32	-97.71
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300000430435	0	39	-2.0	-106.34	358.34	6.40	-99.94
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1CC	REAL300000430436	0	48	-2.0	-108.62	403.22	8.20	-100.42
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000430438	0	42	-2.0	-113.66	371.59	6.03	-107.63
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=N1	REAL300000430439	0	41	-2.0	-98.63	376.89	4.46	-94.17
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430440	0	44	-2.0	-116.73	389.24	6.90	-109.83
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=N1	REAL300000430441	0	43	-2.0	-102.56	385.90	3.25	-99.31
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C([N+](=O)[O-])=N1	REAL300000430442	0	41	-2.0	-110.92	376.47	6.47	-104.45
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300000430444	0	40	-2.0	-114.73	363.43	6.43	-108.30
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000430445	0	45	-2.0	-106.67	399.14	7.29	-99.38
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430446	0	42	-2.0	-113.55	373.47	6.39	-107.16
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000430447	0	44	-2.0	-102.78	384.19	3.40	-99.38
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1F	REAL300000430448	0	39	-2.0	-112.14	351.96	6.35	-105.79
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=N1	REAL300000430449	0	42	-2.0	-100.38	375.18	3.26	-97.12
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000430450	0	43	-2.0	-116.68	372.10	5.67	-111.01
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1	REAL300000430451	0	43	-2.0	-106.95	381.21	5.37	-101.58
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430452	0	41	-2.0	-110.54	365.42	2.63	-107.91
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300000430453	0	39	-2.0	-108.84	358.02	6.78	-102.06
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C)=C1	REAL300000430455	0	39	-2.0	-105.21	349.11	5.22	-99.99
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000430456	0	44	-2.0	-106.82	379.87	6.26	-100.56
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430457	0	43	-2.0	-105.90	372.76	5.66	-100.24
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300000430458	0	46	-2.0	-104.88	395.42	6.49	-98.39
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)O1	REAL300000430459	0	36	-2.0	-106.36	330.75	4.45	-101.91
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)S1	REAL300000430460	0	39	-2.0	-107.32	359.80	6.05	-101.27
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000430461	0	39	-2.0	-103.60	352.19	4.29	-99.31
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300000430462	0	44	-2.0	-122.13	379.78	7.41	-114.72
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000430463	0	38	-2.0	-94.49	358.90	6.33	-88.16
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000430464	0	36	-2.0	-98.59	349.29	6.22	-92.37
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C(C)O1	REAL300000430465	0	42	-2.0	-101.78	383.99	5.21	-96.57
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000430466	0	35	-2.0	-98.55	337.90	4.33	-94.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)N=C1C	REAL300000430467	0	42	-2.0	-115.73	371.76	5.41	-110.32
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300000430468	0	39	-2.0	-108.33	360.70	6.86	-101.47
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1C(=O)[O-]	REAL300000430469	0	42	-3.0	-173.00	382.63	6.41	-166.59
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430470	0	39	-2.0	-105.18	366.04	4.38	-100.80
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430471	0	48	-2.0	-106.49	405.63	6.19	-100.30
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000430472	0	36	-2.0	-111.15	342.21	6.43	-104.72
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1Cl	REAL300000430473	0	38	-2.0	-105.68	356.04	4.95	-100.73
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300000430474	0	41	-2.0	-105.53	375.19	5.82	-99.71
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)S1	REAL300000430475	0	38	-2.0	-102.83	356.16	4.22	-98.61
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300000430476	0	38	-2.0	-101.59	364.28	5.97	-95.62
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=CN=C1Cl	REAL300000430477	0	39	-2.0	-97.03	367.00	3.60	-93.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C(C)=C1F	REAL300000430478	0	43	-2.0	-102.82	376.24	5.75	-97.07
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000430479	0	37	-2.0	-100.05	360.04	6.59	-93.46
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000430480	0	39	-2.0	-115.26	354.08	5.96	-109.30
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430481	0	41	-2.0	-103.17	376.10	4.49	-98.68
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC1CCCOC1	REAL300000430482	1	43	-2.0	-105.47	359.30	4.39	-101.08
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300000430483	1	44	-2.0	-109.20	378.64	6.07	-103.13
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCC1=CC=CS1	REAL300000430484	1	39	-2.0	-103.06	361.01	6.26	-96.80
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300000430485	0	36	-2.0	-100.46	355.14	5.86	-94.60
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000430486	0	39	-2.0	-106.78	358.33	6.50	-100.28
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000430487	0	39	-2.0	-103.08	365.22	4.49	-98.59
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1SC	REAL300000430488	0	40	-2.0	-113.14	362.23	6.69	-106.45
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=CC=C1F	REAL300000430489	0	40	-2.0	-100.16	361.87	5.01	-95.15
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000430490	0	35	-2.0	-112.03	338.84	6.03	-106.00
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000430491	0	33	-2.0	-105.35	308.83	3.62	-101.73
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000430492	0	35	-2.0	-95.69	320.55	2.05	-93.64
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000430493	0	41	-2.0	-101.79	370.50	4.76	-97.03
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000430494	0	35	-2.0	-98.26	347.32	5.40	-92.86
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000430495	0	40	-2.0	-109.85	354.28	5.07	-104.78
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000430496	0	37	-2.0	-103.70	360.07	6.59	-97.11
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430497	0	42	-2.0	-105.76	356.36	7.35	-98.41
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000430499	0	40	-2.0	-119.12	364.54	5.72	-113.40
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C(C)C=CN=C12	REAL300000430500	0	44	-2.0	-122.06	384.04	6.83	-115.23
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCC(C)(C)C#N	REAL300000430501	1	42	-2.0	-104.39	365.38	5.47	-98.92
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000430502	0	37	-2.0	-112.97	350.92	3.95	-109.02
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430503	0	39	-2.0	-103.74	350.72	3.11	-100.63
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300000430504	0	42	-2.0	-103.86	367.64	5.09	-98.77
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300000430506	1	39	-2.0	-104.19	366.01	6.89	-97.30
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(NC(C)=O)S1	REAL300000430507	0	39	-2.0	-110.23	370.81	3.14	-107.09
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300000430507	1	38	-3.0	-166.00	367.81	1.99	-164.01
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000430508	0	40	-2.0	-108.46	359.03	6.89	-101.57
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000430509	0	40	-2.0	-112.60	368.40	6.81	-105.79
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300000430510	0	42	-2.0	-99.76	362.81	7.41	-92.35
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300000430511	0	37	-2.0	-97.46	333.68	3.01	-94.45
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430512	0	40	-2.0	-110.11	371.14	5.94	-104.17
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000430513	0	37	-2.0	-102.33	353.65	4.40	-97.93
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300000430514	0	47	-2.0	-107.34	407.40	6.40	-100.94
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430515	0	43	-2.0	-109.14	371.12	5.70	-103.44
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000430517	0	34	-2.0	-98.32	338.68	5.19	-93.13
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1	REAL300000430518	0	38	-2.0	-104.33	342.75	4.47	-99.86
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000430519	0	41	-2.0	-106.67	367.34	6.01	-100.66
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300000430520	0	40	-2.0	-99.73	366.13	6.53	-93.20
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000430521	0	35	-2.0	-93.41	343.88	4.32	-89.09
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(C)OC	REAL300000430522	0	39	-2.0	-105.88	341.70	3.60	-102.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C(F)=C1	REAL300000430523	0	40	-2.0	-108.22	361.13	4.99	-103.23
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300000430524	0	42	-2.0	-106.21	371.86	6.15	-100.06
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000430525	0	39	-2.0	-105.29	360.31	6.57	-98.72
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=NN1C	REAL300000430527	0	39	-2.0	-99.99	343.01	4.09	-95.90
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300000430528	1	42	-2.0	-102.86	387.51	7.68	-95.18
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000430529	0	34	-2.0	-99.01	330.07	4.18	-94.83
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000430530	0	33	-2.0	-103.45	317.25	4.54	-98.91
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000430531	0	33	-2.0	-103.93	308.68	3.52	-100.41
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000430532	0	41	-3.0	-161.42	374.68	6.85	-154.57
COC1=CC(C=CC(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000430532	1	42	-2.0	-102.28	370.83	6.69	-95.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=N1	REAL300000430533	0	39	-2.0	-100.57	353.32	2.32	-98.25
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000430534	0	36	-2.0	-106.31	348.38	6.22	-100.09
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430535	0	47	-2.0	-107.54	404.29	6.75	-100.79
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300000430536	0	39	-2.0	-108.44	362.66	7.01	-101.43
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000430537	0	39	-2.0	-111.42	352.75	4.27	-107.15
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430538	0	43	-2.0	-109.09	377.50	5.86	-103.23
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430539	0	42	-2.0	-130.58	370.55	3.22	-127.36
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300000430540	0	45	-2.0	-109.22	393.45	8.58	-100.64
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000430541	0	33	-2.0	-106.29	334.13	5.08	-101.21
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CS1	REAL300000430542	0	36	-2.0	-105.45	339.72	5.30	-100.15
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000430543	0	33	-2.0	-102.26	324.43	2.45	-99.81
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000430544	0	35	-2.0	-101.05	333.07	3.75	-97.30
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000430545	0	45	-2.0	-101.60	390.59	4.70	-96.90
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000430546	0	45	-2.0	-100.81	395.32	4.20	-96.61
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300000430547	0	44	-2.0	-104.95	386.68	6.60	-98.35
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000430548	0	39	-2.0	-103.07	362.33	6.09	-96.98
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=NS1	REAL300000430549	0	35	-2.0	-99.94	334.65	3.94	-96.00
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC(=O)S1	REAL300000430550	1	33	-2.0	-99.67	322.98	1.52	-98.15
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300000430551	0	40	-2.0	-131.66	357.30	2.90	-128.76
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000430552	0	43	-2.0	-106.67	375.37	7.75	-98.92
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000430553	0	33	-2.0	-108.78	324.43	4.67	-104.11
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000430554	0	37	-2.0	-97.31	352.87	6.07	-91.24
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(OC)C1=CC=CC=C1	REAL300000430555	0	46	-2.0	-106.57	400.91	6.70	-99.87
COCC1(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)CC1	REAL300000430556	0	40	-2.0	-108.94	347.69	4.65	-104.29
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)N=S(C)(C)=O	REAL300000430557	0	36	-2.0	-129.61	331.51	1.58	-128.03
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000430558	0	33	-2.0	-107.83	307.77	2.23	-105.60
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000430559	0	41	-2.0	-112.00	363.15	2.56	-109.44
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)S1	REAL300000430560	0	39	-2.0	-107.49	356.26	6.27	-101.22
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000430561	0	37	-2.0	-96.38	349.53	4.50	-91.88
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000430562	0	38	-2.0	-97.77	353.70	5.01	-92.76
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)CC1	REAL300000430565	1	45	-2.0	-113.20	392.96	7.08	-106.12
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1	REAL300000430566	0	39	-2.0	-105.41	346.81	3.87	-101.54
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1	REAL300000430567	0	40	-2.0	-107.25	357.23	6.73	-100.52
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C	REAL300000430568	0	39	-2.0	-104.89	349.53	3.99	-100.90
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000430569	0	36	-2.0	-97.97	342.06	4.23	-93.74
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430570	0	44	-2.0	-102.21	374.44	5.58	-96.63
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000430572	0	36	-2.0	-102.93	341.80	3.16	-99.77
COC(=O)C1(CS(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)CCCC1	REAL300000430573	0	48	-2.0	-111.30	399.48	6.74	-104.56
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=CC=C1Cl	REAL300000430574	0	40	-2.0	-100.79	371.67	5.49	-95.30
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(N)=O)S1	REAL300000430575	0	40	-2.0	-115.59	377.73	2.28	-113.31
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000430576	0	38	-3.0	-178.39	358.25	6.22	-172.17
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000430577	0	38	-2.0	-116.92	357.35	5.06	-111.86
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000430578	0	41	-2.0	-109.50	361.95	5.47	-104.03
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300000430579	1	43	-2.0	-106.26	376.22	7.79	-98.47
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000430580	0	39	-2.0	-107.92	353.27	7.14	-100.78
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000430581	0	41	-2.0	-116.35	362.46	5.47	-110.88
CCC(CS(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC)OC	REAL300000430582	0	42	-2.0	-104.85	361.28	4.16	-100.69
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(CC(C)C)OC	REAL300000430583	0	48	-2.0	-105.60	396.48	5.18	-100.42
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCOCC1CC1	REAL300000430584	0	43	-2.0	-100.80	376.57	4.98	-95.82
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300000430585	1	42	-2.0	-101.50	387.51	7.68	-93.82
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F	REAL300000430586	0	39	-2.0	-113.31	356.06	6.61	-106.70
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000430587	0	41	-2.0	-106.14	370.00	4.09	-102.05
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(OC)C1CC1	REAL300000430588	0	43	-2.0	-105.32	367.75	5.01	-100.31
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430589	0	40	-2.0	-110.33	360.81	5.48	-104.85
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(OC)C1CCOCC1	REAL300000430590	0	50	-2.0	-101.98	407.35	4.09	-97.89
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(OC)C(Cl)=C1	REAL300000430591	0	39	-2.0	-97.57	369.40	2.88	-94.69
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CON=C1C	REAL300000430592	0	35	-2.0	-97.64	323.11	3.60	-94.04
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300000430593	0	39	-2.0	-101.76	361.61	6.74	-95.02
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000430594	0	42	-2.0	-115.55	374.24	6.63	-108.92
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1	REAL300000430595	0	38	-2.0	-111.92	360.73	6.83	-105.09
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)N=S(C)(=O)N(C)C	REAL300000430596	0	41	-2.0	-120.24	366.74	1.54	-118.70
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000430597	0	35	-2.0	-108.63	326.66	3.82	-104.81
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000430600	0	35	-2.0	-97.40	327.56	3.78	-93.62
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCOCC1CCC1	REAL300000430601	0	46	-2.0	-100.78	393.14	5.52	-95.26
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000430602	0	34	-2.0	-109.34	336.53	5.05	-104.29
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(OC)C(C)C	REAL300000430604	0	45	-2.0	-105.76	376.03	4.59	-101.17
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000430605	0	36	-2.0	-98.29	348.74	6.20	-92.09
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000430606	0	44	-2.0	-116.06	378.34	6.86	-109.20
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300000430608	1	42	-2.0	-101.70	377.19	7.23	-94.47
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCC1=CC=CC=C1F	REAL300000430609	1	42	-2.0	-106.86	376.34	7.21	-99.65
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300000430610	1	42	-2.0	-105.85	383.45	7.54	-98.31
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300000430612	0	43	-2.0	-117.04	382.07	3.07	-113.97
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(=O)NC1=O	REAL300000430613	0	39	-2.0	-109.48	354.56	2.34	-107.14
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC1(OC(C)C)CCOC1	REAL300000430614	0	50	-2.0	-107.45	402.03	4.65	-102.80
CCOC(CS(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC)C1CC1	REAL300000430615	0	46	-2.0	-106.22	389.57	5.98	-100.24
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C)N1C	REAL300000430616	0	39	-2.0	-104.15	345.30	4.69	-99.46
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(OC)C1CCCC1	REAL300000430617	0	49	-2.0	-104.81	399.98	6.33	-98.48
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(OC)C1CCCCC1	REAL300000430618	0	52	-2.0	-103.62	416.42	6.49	-97.13
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)O1	REAL300000430619	0	42	-2.0	-101.69	383.59	5.02	-96.67
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000430620	0	39	-2.0	-103.54	365.90	5.13	-98.41
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000430621	0	35	-2.0	-101.75	343.53	4.24	-97.51
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300000430622	1	42	-2.0	-108.71	381.42	7.23	-101.48
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1F	REAL300000430623	0	39	-2.0	-108.80	358.23	6.41	-102.39
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000430624	0	38	-2.0	-117.91	353.21	4.62	-113.29
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C(C)=N1	REAL300000430625	0	48	-2.0	-104.46	414.06	6.40	-98.06
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000430626	0	37	-3.0	-171.67	350.83	4.32	-167.35
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300000430627	0	40	-2.0	-106.33	358.94	5.78	-100.55
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000430628	0	37	-2.0	-98.24	353.41	6.09	-92.15
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000430629	0	38	-2.0	-104.76	349.42	4.69	-100.07
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000430629	1	38	-2.0	-118.08	349.32	4.84	-113.24
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300000430630	0	40	-2.0	-113.39	359.89	5.61	-107.78
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000430631	0	46	-2.0	-103.45	387.15	5.75	-97.70
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000430632	0	48	-2.0	-103.63	394.52	6.26	-97.37
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000430634	0	46	-2.0	-104.19	393.56	5.99	-98.20
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1CC1C1=CC=CC(F)=C1	REAL300000430635	1	43	-2.0	-104.54	382.63	7.86	-96.68
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000430636	0	37	-2.0	-105.52	342.33	3.39	-102.13
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000430636	1	36	-3.0	-185.58	338.77	4.25	-181.33
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1	REAL300000430637	0	46	-2.0	-106.40	403.36	8.43	-97.97
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430638	0	42	-2.0	-104.75	369.00	4.79	-99.96
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1	REAL300000430639	0	41	-2.0	-106.22	371.16	6.10	-100.12
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000430640	0	36	-2.0	-99.66	331.36	2.98	-96.68
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C#N	REAL300000430641	0	40	-2.0	-112.63	365.67	6.58	-106.05
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C#N	REAL300000430642	0	40	-2.0	-114.23	357.91	6.88	-107.35
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000430644	0	43	-2.0	-110.33	389.93	7.60	-102.73
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300000430645	0	42	-2.0	-100.53	373.14	7.85	-92.68
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430646	0	36	-2.0	-97.19	345.40	1.44	-95.75
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CC1CCCC(C)(C)O1	REAL300000430647	0	49	-2.0	-109.78	398.20	5.83	-103.95
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000430648	0	32	-2.0	-99.65	312.89	3.34	-96.31
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300000430651	0	40	-2.0	-105.71	365.66	1.26	-104.45
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430652	0	45	-2.0	-106.23	377.88	8.13	-98.10
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000430653	0	36	-2.0	-101.42	346.38	5.56	-95.86
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300000430654	1	42	-2.0	-103.27	377.19	7.24	-96.03
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000430655	0	41	-2.0	-114.54	362.40	6.15	-108.39
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430656	0	43	-2.0	-107.75	387.56	5.83	-101.92
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000430657	0	37	-2.0	-108.71	352.01	6.06	-102.65
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=N1	REAL300000430658	0	35	-2.0	-108.42	324.95	1.97	-106.45
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000430659	0	43	-2.0	-104.40	376.05	5.31	-99.09
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000430660	0	43	-2.0	-101.51	373.44	5.54	-95.97
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000430661	0	46	-2.0	-101.19	395.55	6.24	-94.95
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(OC)C(F)=C1	REAL300000430662	0	40	-2.0	-96.72	372.02	5.18	-91.54
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000430663	0	43	-2.0	-106.45	369.07	5.70	-100.75
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C1F	REAL300000430664	0	40	-2.0	-104.46	367.35	5.08	-99.38
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)SC=C1C	REAL300000430665	0	39	-2.0	-102.76	349.05	6.33	-96.43
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000430666	0	44	-2.0	-117.28	383.58	6.23	-111.05
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000430667	0	44	-2.0	-103.79	394.83	5.31	-98.48
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300000430668	0	44	-2.0	-109.09	394.39	7.85	-101.24
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300000430669	0	40	-2.0	-108.79	362.62	6.31	-102.48
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000430670	0	33	-2.0	-104.01	331.58	5.08	-98.93
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300000430671	0	41	-2.0	-120.06	366.84	5.24	-114.82
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430672	0	38	-2.0	-94.93	341.38	2.98	-91.95
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000430674	0	37	-2.0	-96.35	341.03	4.42	-91.93
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000430675	0	39	-2.0	-108.48	364.99	7.08	-101.40
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000430676	0	43	-2.0	-100.64	378.09	5.36	-95.28
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300000430677	0	45	-2.0	-103.98	382.06	8.01	-95.97
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300000430678	0	44	-2.0	-111.06	381.94	5.56	-105.50
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C21	REAL300000430679	0	39	-2.0	-108.74	355.92	5.91	-102.83
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000430680	0	43	-2.0	-107.30	381.45	5.57	-101.73
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300000430681	0	40	-2.0	-106.34	365.39	5.22	-101.12
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000430682	0	39	-2.0	-113.87	355.58	4.85	-109.02
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000430683	0	41	-2.0	-122.95	370.69	4.05	-118.90
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000430684	0	43	-2.0	-107.99	366.70	7.62	-100.37
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(N)C(C)=C1	REAL300000430685	0	40	-2.0	-106.26	354.18	3.35	-102.91
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430686	0	36	-2.0	-103.94	343.45	1.50	-102.44
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)NC=N1	REAL300000430687	0	36	-2.0	-113.74	325.26	3.74	-110.00
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000430689	0	39	-2.0	-105.01	359.82	6.01	-99.00
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000430690	0	46	-2.0	-107.54	397.68	6.04	-101.50
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000430691	0	33	-2.0	-103.68	331.99	5.17	-98.51
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000430692	0	46	-2.0	-104.55	400.14	6.29	-98.26
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000430693	0	40	-2.0	-110.89	364.27	6.76	-104.13
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430694	0	45	-2.0	-108.33	390.54	7.84	-100.49
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430695	0	42	-2.0	-98.76	382.43	3.98	-94.78
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300000430696	0	37	-2.0	-108.71	350.68	5.98	-102.73
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000430697	0	43	-2.0	-104.42	371.84	5.17	-99.25
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C	REAL300000430699	0	42	-2.0	-106.65	356.28	7.31	-99.34
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000430700	0	45	-2.0	-98.95	373.13	5.53	-93.42
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000430701	0	45	-2.0	-105.06	390.64	5.35	-99.71
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000430702	0	43	-2.0	-104.67	374.73	4.73	-99.94
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000430703	0	47	-2.0	-104.02	400.42	6.45	-97.57
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000430704	0	39	-2.0	-106.67	354.13	6.46	-100.21
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=NN1C	REAL300000430705	0	39	-2.0	-100.14	348.35	3.87	-96.27
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C	REAL300000430707	0	42	-2.0	-107.94	358.64	6.94	-101.00
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000430708	0	39	-2.0	-105.23	353.94	6.66	-98.57
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000430710	0	37	-2.0	-105.75	358.80	6.49	-99.26
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000430711	0	43	-2.0	-108.29	375.38	7.74	-100.55
COC1=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=CS1	REAL300000430712	0	37	-2.0	-110.40	348.41	4.08	-106.32
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000430713	0	43	-2.0	-109.43	380.87	7.80	-101.63
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000430714	0	46	-2.0	-101.83	390.92	6.25	-95.58
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C=CC(=O)[O-])C=C1OC	REAL300000430715	0	45	-2.0	-101.20	386.11	5.53	-95.67
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000430717	0	41	-2.0	-115.84	369.75	4.00	-111.84
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)O1	REAL300000430718	0	39	-2.0	-106.35	352.23	5.23	-101.12
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000430719	0	36	-2.0	-99.60	350.01	4.85	-94.75
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1OC	REAL300000430720	0	40	-2.0	-103.23	367.10	5.56	-97.67
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000430721	0	42	-2.0	-106.42	379.36	7.16	-99.26
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000430722	0	40	-2.0	-106.42	365.41	5.21	-101.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)S1	REAL300000430723	0	37	-2.0	-103.65	349.93	4.10	-99.55
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000430724	0	39	-2.0	-101.90	358.82	4.33	-97.57
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430725	0	46	-2.0	-109.22	403.07	6.32	-102.90
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000430726	0	39	-2.0	-109.53	346.72	6.60	-102.93
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN21	REAL300000430727	0	39	-2.0	-110.82	353.15	6.00	-104.82
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000430728	0	38	-2.0	-108.05	357.09	5.03	-103.02
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=N1	REAL300000430729	0	38	-2.0	-104.31	346.86	2.50	-101.81
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1Cl	REAL300000430730	0	39	-2.0	-102.19	367.81	4.56	-97.63
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000430731	0	33	-2.0	-100.60	325.90	4.25	-96.35
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300000430732	0	45	-2.0	-115.43	384.91	8.48	-106.95
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300000430733	0	43	-2.0	-106.85	384.07	6.01	-100.84
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000430735	0	40	-2.0	-106.74	369.97	6.96	-99.78
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CO1	REAL300000430736	0	36	-2.0	-105.70	330.74	4.31	-101.39
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1OC	REAL300000430737	0	41	-2.0	-108.50	379.10	3.65	-104.85
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000430738	0	35	-2.0	-93.18	343.78	4.27	-88.91
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000430739	0	42	-2.0	-104.32	369.55	5.64	-98.68
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000430740	0	43	-2.0	-113.12	379.85	7.39	-105.73
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000430741	0	36	-2.0	-101.83	346.03	3.69	-98.14
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000430742	0	42	-2.0	-117.98	363.98	7.46	-110.52
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000430743	0	34	-2.0	-107.28	330.31	4.10	-103.18
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300000430744	0	38	-2.0	-98.25	353.90	5.03	-93.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C(C2CC2)=N1	REAL300000430745	0	46	-2.0	-107.41	402.96	6.43	-100.98
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)NC(=O)NC1=O	REAL300000430746	0	39	-2.0	-108.41	348.85	1.63	-106.78
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000430748	0	33	-2.0	-103.20	324.92	4.14	-99.06
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000430749	0	33	-2.0	-100.81	334.96	5.15	-95.66
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000430750	0	44	-2.0	-101.54	378.44	3.39	-98.15
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000430751	0	43	-2.0	-110.36	369.70	7.80	-102.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C(C)=N1	REAL300000430753	0	42	-2.0	-100.40	369.00	3.06	-97.34
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CN=C1OC	REAL300000430754	0	42	-2.0	-110.58	373.56	3.47	-107.11
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300000430755	0	39	-2.0	-104.73	368.87	3.31	-101.42
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300000430756	0	42	-2.0	-101.39	373.46	3.05	-98.34
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000430757	0	45	-2.0	-103.83	389.11	5.78	-98.05
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300000430758	0	45	-2.0	-105.12	389.75	5.37	-99.75
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000430759	0	34	-2.0	-106.09	329.13	4.04	-102.05
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000430760	0	34	-2.0	-109.66	338.20	4.97	-104.69
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000430761	0	42	-2.0	-100.65	367.88	4.90	-95.75
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000430762	0	43	-2.0	-99.98	378.36	5.77	-94.21
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000430763	0	43	-2.0	-105.59	378.10	6.84	-98.75
COC1=NOC(CS(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)=C1	REAL300000430764	0	39	-2.0	-102.60	357.21	1.96	-100.64
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300000430765	0	45	-2.0	-105.85	389.23	5.44	-100.41
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000430766	0	38	-2.0	-101.81	353.49	4.66	-97.15
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000430768	0	37	-2.0	-107.42	337.17	2.78	-104.64
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000430769	0	32	-2.0	-97.81	311.80	3.24	-94.57
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000430770	0	40	-2.0	-116.58	374.04	4.90	-111.68
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300000430771	0	44	-2.0	-122.57	383.86	6.81	-115.76
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C=CC(=O)[O-])C=C2OC)C=C(C(=O)[O-])O1	REAL300000430772	0	41	-3.0	-166.25	376.73	6.20	-160.05
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300000430773	0	36	-2.0	-100.35	351.40	6.03	-94.32
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000430774	0	32	-2.0	-102.03	312.73	2.74	-99.29
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000430775	0	43	-2.0	-106.92	371.88	4.96	-101.96
COC1=CC(C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000430776	0	39	-2.0	-111.48	353.06	6.36	-105.12
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2Br)=C1	REAL300000430779	1	25	-2.0	-92.14	291.28	4.82	-87.32
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2Br)C=C(C(=O)[O-])O1	REAL300000430782	1	28	-2.0	-91.94	301.09	4.94	-87.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2Br)S1	REAL300000430783	1	25	-2.0	-87.44	290.34	4.93	-82.51
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2Br)=C1	REAL300000430784	0	27	-2.0	-94.95	294.33	3.93	-91.02
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C2NC=CC2=C1	REAL300000430785	1	42	-2.0	-93.05	373.28	4.38	-88.67
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430786	1	35	-2.0	-109.81	321.36	5.82	-103.99
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C2C=CNC2=C1	REAL300000430787	0	43	-2.0	-111.03	376.45	6.88	-104.15
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C2NC=CC2=C1	REAL300000430788	1	35	-2.0	-99.68	316.81	5.80	-93.88
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430789	1	35	-2.0	-112.69	316.83	5.79	-106.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C2C=CNC2=C1	REAL300000430790	0	39	-2.0	-118.55	344.97	5.59	-112.96
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C2NC=CC2=C1	REAL300000430791	1	39	-2.0	-99.17	348.27	7.09	-92.08
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000430792	1	38	-2.0	-113.95	332.84	6.33	-107.62
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C2NC=CC2=C1	REAL300000430793	0	35	-2.0	-108.24	329.90	6.35	-101.89
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430794	1	35	-2.0	-108.29	329.33	6.18	-102.11
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=C2NC=CC2=C1	REAL300000430795	0	35	-2.0	-103.72	342.39	6.74	-96.98
CC1=C(C)C(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)=CC(C(=O)[O-])=C1	REAL300000430796	1	41	-2.0	-115.68	349.93	7.12	-108.56
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C2NC=CC2=C1	REAL300000430797	0	35	-2.0	-110.21	322.30	5.85	-104.36
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C2NC=CC2=C1	REAL300000430798	1	41	-2.0	-98.50	360.39	7.38	-91.12
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C2NC=CC2=C1	REAL300000430799	0	32	-2.0	-106.80	310.01	4.82	-101.98
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C2C=CNC2=C1	REAL300000430800	1	38	-2.0	-113.78	332.26	6.57	-107.21
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C2NC=CC2=C1	REAL300000430801	1	39	-2.0	-97.79	347.90	6.08	-91.71
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430802	0	36	-2.0	-110.92	323.48	5.15	-105.77
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)=C1	REAL300000430804	0	35	-2.0	-102.80	325.96	5.48	-97.32
CC1=CC(C)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C2C=CNC2=C1	REAL300000430805	1	41	-2.0	-115.09	348.28	7.11	-107.98
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430806	0	32	-2.0	-108.16	308.47	4.83	-103.33
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000430807	1	43	-2.0	-112.91	375.13	5.60	-107.31
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000430808	1	39	-2.0	-118.47	344.12	5.86	-112.61
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C2NC=CC2=C1	REAL300000430809	1	45	-2.0	-117.86	372.06	8.42	-109.44
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C2NC=CC2=C1	REAL300000430810	1	44	-2.0	-115.97	370.72	7.79	-108.18
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C2C=CNC2=C1	REAL300000430811	1	41	-2.0	-111.87	346.34	7.50	-104.37
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C2C=CNC2=C1	REAL300000430812	0	42	-2.0	-118.92	367.26	6.36	-112.56
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430813	0	38	-2.0	-111.37	343.54	6.28	-105.09
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430813	1	37	-3.0	-188.90	345.23	6.36	-182.54
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C2NC=CC2=C1	REAL300000430814	1	42	-2.0	-118.19	361.07	7.68	-110.51
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)C=C(C(=O)[O-])O1	REAL300000430815	0	35	-2.0	-106.45	319.83	4.94	-101.51
CC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430816	1	41	-2.0	-117.40	358.99	5.56	-111.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)=C1	REAL300000430817	0	39	-2.0	-113.41	345.79	4.88	-108.53
CC1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C2NC=CC2=C1	REAL300000430818	1	43	-2.0	-98.54	369.74	6.40	-92.14
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430819	1	35	-2.0	-101.94	344.50	6.64	-95.30
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C2NC=CC2=C1	REAL300000430820	0	35	-2.0	-104.68	334.42	6.37	-98.31
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C2NC=CC2=C1	REAL300000430821	1	39	-2.0	-96.19	363.92	6.62	-89.57
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)=CC=C1OCC(=O)[O-]	REAL300000430822	1	42	-2.0	-98.29	367.98	6.78	-91.51
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C2NC=CC2=C1	REAL300000430823	1	38	-2.0	-104.02	337.53	6.61	-97.41
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C2NC=CC2=C1	REAL300000430824	1	39	-2.0	-97.14	354.12	6.14	-91.00
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000430825	1	42	-2.0	-119.11	365.96	6.77	-112.34
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)C=C(C(=O)[O-])S1	REAL300000430826	0	35	-2.0	-110.06	325.45	5.68	-104.38
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C2NC=CC2=C1	REAL300000430827	0	35	-2.0	-101.83	345.05	6.80	-95.03
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C2NC=CC2=C1	REAL300000430828	0	35	-2.0	-97.04	329.88	6.35	-90.69
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C2NC=CC2=C1	REAL300000430829	1	35	-2.0	-99.01	321.34	5.83	-93.18
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C2NC=CC2=C1	REAL300000430830	0	32	-2.0	-101.44	309.08	4.92	-96.52
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430831	1	35	-2.0	-103.26	323.23	5.86	-97.40
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C2NC=CC2=C1	REAL300000430832	0	38	-2.0	-111.76	342.58	6.50	-105.26
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000430833	0	39	-2.0	-101.64	357.14	6.42	-95.22
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C2NC=CC2=C1	REAL300000430834	0	35	-2.0	-99.16	322.29	5.86	-93.30
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C2NC=CC2=C1	REAL300000430835	1	35	-2.0	-97.14	329.31	6.19	-90.95
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C2NC=CC2=C1	REAL300000430836	1	38	-2.0	-105.84	346.26	6.99	-98.85
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C2NC=CC2=C1	REAL300000430837	1	43	-2.0	-95.82	380.56	7.20	-88.62
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430838	1	35	-2.0	-101.23	327.64	5.88	-95.35
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430839	0	37	-2.0	-97.22	345.02	6.46	-90.76
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C2NC=CC2=C1	REAL300000430840	0	36	-2.0	-112.81	326.54	3.50	-109.31
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C2NC=CC2=C1	REAL300000430840	1	36	-2.0	-111.99	320.64	3.81	-108.18
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C2NC=CC2=C1	REAL300000430841	1	38	-2.0	-103.60	338.99	6.58	-97.02
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430842	1	35	-2.0	-102.68	337.53	6.32	-96.36
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C2NC=CC2=C1	REAL300000430843	1	38	-2.0	-108.23	326.86	6.43	-101.80
CC1=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430844	1	38	-2.0	-111.24	341.66	6.44	-104.80
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=C2C=CNC2=C1	REAL300000430845	1	38	-2.0	-99.85	332.24	6.56	-93.29
CC1=C(C)C(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)=C1	REAL300000430846	1	41	-2.0	-115.94	349.70	6.86	-109.08
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430847	0	37	-2.0	-110.28	343.39	6.88	-103.40
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C2NC=CC2=C1	REAL300000430848	0	35	-2.0	-101.62	328.56	5.92	-95.70
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)C(C)=C1C(=O)[O-]	REAL300000430849	1	41	-2.0	-112.54	351.30	7.18	-105.36
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C2NC=CC2=C1	REAL300000430850	0	38	-2.0	-111.47	338.30	6.39	-105.08
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C2NC=CC2=C1	REAL300000430851	0	38	-2.0	-110.08	348.59	6.93	-103.15
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)=C1	REAL300000430852	0	38	-2.0	-117.27	341.84	6.48	-110.79
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000430853	1	41	-2.0	-114.69	351.15	6.98	-107.71
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)C=C1CC(=O)[O-]	REAL300000430854	1	42	-2.0	-114.81	367.29	5.92	-108.89
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C2NC=CC2=C1	REAL300000430855	1	38	-2.0	-101.52	343.09	6.97	-94.55
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C2NC=CC2=C1	REAL300000430856	1	38	-2.0	-96.05	346.94	6.61	-89.44
CC1=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430857	1	38	-2.0	-110.13	348.05	6.75	-103.38
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000430858	0	39	-2.0	-112.20	344.85	6.01	-106.19
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430860	1	38	-2.0	-105.90	346.69	6.76	-99.14
CC1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430861	0	44	-2.0	-109.19	366.26	7.92	-101.27
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000430862	0	39	-2.0	-113.81	357.15	6.43	-107.38
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)=CC=C1C(=O)[O-]	REAL300000430863	1	38	-2.0	-101.42	336.88	6.44	-94.98
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C2NC=CC2=C1	REAL300000430864	0	40	-2.0	-104.12	360.08	7.98	-96.14
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C2C=CNC2=C1	REAL300000430865	1	38	-2.0	-110.88	336.78	6.61	-104.27
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C2NC=CC2=C1	REAL300000430866	0	37	-2.0	-119.33	340.58	7.64	-111.69
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C2NC=CC2=C1	REAL300000430867	0	35	-2.0	-116.39	320.46	5.82	-110.57
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430868	1	38	-2.0	-104.19	337.99	6.36	-97.83
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430869	1	41	-2.0	-121.00	357.86	7.92	-113.08
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C2NC=CC2=C1	REAL300000430870	0	34	-2.0	-110.44	313.03	3.92	-106.52
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=C2C=CNC2=C1	REAL300000430871	0	39	-2.0	-104.10	345.03	5.59	-98.51
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C2NC=CC2=C1	REAL300000430872	0	32	-2.0	-100.12	316.93	4.77	-95.35
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C2NC=CC2=C1	REAL300000430873	1	42	-2.0	-106.57	362.95	7.68	-98.89
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C2NC=CC2=C1	REAL300000430874	1	42	-2.0	-109.17	360.91	7.66	-101.51
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=C3C=CNC3=C2)C=C(C(=O)[O-])O1	REAL300000430875	0	38	-2.0	-106.26	338.96	5.79	-100.47
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1F	REAL300000430876	1	39	-2.0	-83.72	357.87	2.97	-80.75
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000430877	1	32	-2.0	-98.93	305.93	4.41	-94.52
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(OC)=C1	REAL300000430878	0	40	-2.0	-100.49	361.02	5.48	-95.01
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1F	REAL300000430879	1	32	-2.0	-89.33	301.39	4.39	-84.94
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000430880	1	32	-2.0	-101.08	301.40	4.38	-96.70
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(OC)=C1	REAL300000430881	0	36	-2.0	-106.51	329.54	4.18	-102.33
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1F	REAL300000430882	1	36	-2.0	-89.47	332.86	5.68	-83.79
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000430883	1	35	-2.0	-103.47	321.47	5.03	-98.44
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1F	REAL300000430884	0	32	-2.0	-97.02	314.47	4.95	-92.07
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000430885	1	32	-2.0	-97.17	313.91	4.77	-92.40
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=CC=C1F	REAL300000430886	0	32	-2.0	-92.82	326.97	5.32	-87.50
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1F	REAL300000430887	1	38	-2.0	-104.43	334.08	5.72	-98.71
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000430888	0	32	-2.0	-98.28	306.88	4.44	-93.84
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000430889	1	38	-2.0	-88.64	344.96	5.97	-82.67
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000430890	0	29	-2.0	-95.85	294.58	3.39	-92.46
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1F	REAL300000430891	1	35	-2.0	-102.39	316.83	5.16	-97.23
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000430893	0	33	-2.0	-99.69	308.05	3.72	-95.97
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1F	REAL300000430895	0	32	-2.0	-91.93	310.52	4.06	-87.87
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000430897	0	29	-2.0	-97.18	293.05	3.41	-93.77
COC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=CC=C1F	REAL300000430898	1	40	-2.0	-101.55	359.74	4.19	-97.36
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1F	REAL300000430900	1	42	-2.0	-105.92	356.66	6.99	-98.93
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1F	REAL300000430901	1	41	-2.0	-104.45	355.31	6.39	-98.06
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(OC)=C1	REAL300000430902	1	38	-2.0	-101.05	331.55	6.10	-94.95
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(OC)=C1	REAL300000430903	0	39	-2.0	-106.71	351.83	4.94	-101.77
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000430904	0	35	-2.0	-108.42	332.27	4.94	-103.48
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000430904	1	34	-3.0	-174.14	329.81	4.94	-169.20
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1F	REAL300000430905	1	39	-2.0	-106.23	345.67	6.28	-99.95
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000430906	0	32	-2.0	-95.70	304.41	3.52	-92.18
COC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1F	REAL300000430907	1	38	-2.0	-105.83	343.57	4.15	-101.68
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000430908	0	36	-2.0	-102.21	330.38	3.47	-98.74
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000430910	1	32	-2.0	-91.11	329.08	5.23	-85.88
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1F	REAL300000430911	0	32	-2.0	-94.13	319.00	4.97	-89.16
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300000430912	1	36	-2.0	-86.83	348.50	5.20	-81.63
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1F	REAL300000430914	1	35	-2.0	-93.20	322.11	5.20	-88.00
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1F	REAL300000430916	1	36	-2.0	-87.93	338.69	4.73	-83.20
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000430918	1	32	-2.0	-99.07	310.00	4.27	-94.80
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=CC=C1F	REAL300000430919	0	32	-2.0	-90.97	329.62	5.40	-85.57
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1F	REAL300000430920	0	32	-2.0	-87.09	314.45	4.94	-82.15
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000430921	1	32	-2.0	-89.07	305.93	4.42	-84.65
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000430922	0	29	-2.0	-90.89	293.67	3.51	-87.38
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000430923	1	32	-2.0	-92.30	307.80	4.45	-87.85
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1F	REAL300000430924	0	35	-2.0	-99.65	327.17	5.08	-94.57
COC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=CC=C1F	REAL300000430925	0	36	-2.0	-91.72	341.72	5.01	-86.71
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000430926	0	32	-2.0	-88.57	306.86	4.45	-84.12
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300000430927	1	32	-2.0	-87.03	313.90	4.78	-82.25
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1F	REAL300000430928	1	35	-2.0	-94.84	330.84	5.58	-89.26
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1F	REAL300000430929	1	40	-2.0	-86.59	365.14	5.79	-80.80
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000430930	1	32	-2.0	-90.79	312.22	4.47	-86.32
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000430931	0	34	-2.0	-86.68	329.59	5.05	-81.63
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000430932	0	33	-2.0	-101.33	311.11	2.08	-99.25
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000430932	1	33	-2.0	-100.63	300.14	2.98	-97.65
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000430933	1	35	-2.0	-92.88	323.56	5.16	-87.72
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000430934	1	32	-2.0	-92.13	322.10	4.91	-87.22
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000430935	1	35	-2.0	-97.32	311.47	5.02	-92.30
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000430936	1	35	-2.0	-100.20	326.25	5.03	-95.17
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000430938	1	38	-2.0	-103.94	334.29	5.45	-98.49
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300000430939	0	34	-2.0	-100.18	327.96	5.47	-94.71
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1F	REAL300000430940	0	32	-2.0	-90.18	313.16	4.51	-85.67
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1F	REAL300000430942	0	35	-2.0	-100.53	326.72	5.08	-95.45
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1F	REAL300000430943	0	35	-2.0	-98.66	333.15	5.52	-93.14
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000430944	0	35	-2.0	-105.53	326.44	5.07	-100.46
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(OC)=C2)C=C1C(=O)[O-]	REAL300000430945	1	38	-2.0	-102.81	335.64	5.57	-97.24
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000430947	1	35	-2.0	-90.90	327.66	5.55	-85.35
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CC=C1F	REAL300000430948	1	35	-2.0	-86.13	331.51	5.19	-80.94
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000430949	1	35	-2.0	-98.82	332.64	5.34	-93.48
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(OC)=C2)C=C1C(=O)[O-]	REAL300000430950	0	36	-2.0	-100.83	329.42	4.59	-96.24
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CC=C1F	REAL300000430952	0	32	-2.0	-89.18	327.00	4.94	-84.24
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000430953	1	35	-2.0	-95.66	335.14	5.45	-90.21
COC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000430954	0	41	-2.0	-99.04	350.84	6.51	-92.53
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=CC=C1F	REAL300000430955	0	36	-2.0	-102.66	341.73	5.01	-97.65
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1F	REAL300000430956	1	35	-2.0	-89.44	317.40	4.92	-84.52
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1F	REAL300000430957	0	37	-2.0	-94.19	344.67	6.56	-87.63
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1F	REAL300000430959	0	34	-2.0	-108.03	325.13	6.23	-101.80
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000430960	0	32	-2.0	-104.84	305.06	4.42	-100.42
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000430961	1	35	-2.0	-93.93	326.34	5.06	-88.87
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1F	REAL300000430962	1	38	-2.0	-109.06	342.44	6.50	-102.56
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000430963	0	31	-2.0	-98.38	298.39	2.43	-95.95
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1F	REAL300000430964	0	36	-2.0	-93.41	329.60	4.17	-89.24
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000430965	0	29	-2.0	-89.66	301.55	3.37	-86.29
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1F	REAL300000430966	1	39	-2.0	-95.99	347.52	6.27	-89.72
COC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1F	REAL300000430967	1	39	-2.0	-98.74	346.84	6.27	-92.47
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000430968	0	35	-2.0	-95.71	323.53	4.37	-91.34
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000430969	0	38	-2.0	-103.68	354.00	5.03	-98.65
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(OC)=C1	REAL300000430970	0	38	-2.0	-93.93	349.45	5.01	-88.92
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(OC)=C1	REAL300000430971	0	38	-2.0	-106.02	349.47	5.00	-101.02
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(OC)=C1	REAL300000430972	0	42	-2.0	-110.70	377.61	4.80	-105.90
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(OC)=C1	REAL300000430973	0	42	-2.0	-93.43	380.92	6.30	-87.13
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000430974	0	41	-2.0	-107.02	365.49	5.54	-101.48
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(OC)=C1	REAL300000430975	0	38	-2.0	-101.26	362.54	5.57	-95.69
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000430976	0	38	-2.0	-101.95	361.97	5.39	-96.56
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(OC)=C1	REAL300000430977	0	44	-2.0	-108.16	382.58	6.33	-101.83
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(OC)=C1	REAL300000430978	0	38	-2.0	-102.75	354.95	5.06	-97.69
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(OC)=C1	REAL300000430979	0	44	-2.0	-92.52	393.03	6.59	-85.93
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(OC)=C1	REAL300000430980	0	35	-2.0	-100.48	342.65	4.03	-96.45
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(OC)=C1	REAL300000430981	0	41	-2.0	-106.34	364.91	5.78	-100.56
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(OC)=C1	REAL300000430982	0	42	-2.0	-92.14	380.54	5.29	-86.85
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000430983	0	39	-2.0	-104.45	356.12	4.36	-100.09
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(OC)=C1	REAL300000430984	0	42	-2.0	-107.06	373.25	3.84	-103.22
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(OC)=C1	REAL300000430985	0	38	-2.0	-96.68	358.58	4.69	-91.99
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(OC)=C1	REAL300000430986	0	44	-2.0	-107.42	380.92	6.31	-101.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(OC)=C1	REAL300000430987	0	35	-2.0	-101.87	341.12	4.04	-97.83
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000430988	0	42	-2.0	-111.83	376.76	5.07	-106.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC)C=C1OC	REAL300000430989	0	44	-2.0	-104.55	379.59	6.73	-97.82
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(OC)=C1	REAL300000430990	0	38	-2.0	-99.84	352.47	4.16	-95.68
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(OC)=C1	REAL300000430991	0	42	-2.0	-107.56	378.39	4.10	-103.46
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(OC)=C1	REAL300000430992	0	41	-2.0	-97.27	370.18	5.82	-91.45
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(OC)=C1	REAL300000430993	0	38	-2.0	-103.01	358.10	4.90	-98.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(OC)=C1	REAL300000430994	0	38	-2.0	-91.61	362.52	5.56	-86.05
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(OC)=C1	REAL300000430995	0	38	-2.0	-93.61	354.00	5.04	-88.57
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(OC)=C1	REAL300000430996	0	35	-2.0	-95.55	341.73	4.13	-91.42
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(OC)=C1	REAL300000430997	0	38	-2.0	-97.04	355.89	5.07	-91.97
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(OC)=C1	REAL300000430998	0	41	-2.0	-104.18	375.22	5.70	-98.48
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(OC)=C1	REAL300000430999	0	38	-2.0	-93.36	354.93	5.07	-88.29
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(OC)=C1	REAL300000431000	0	38	-2.0	-91.59	361.97	5.40	-86.19
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(OC)=C1	REAL300000431001	0	39	-2.0	-104.98	359.19	2.70	-102.28
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(OC)=C1	REAL300000431002	0	41	-2.0	-96.88	371.63	5.79	-91.09
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(OC)=C1	REAL300000431003	0	41	-2.0	-102.62	359.51	5.63	-96.99
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000431004	0	41	-2.0	-104.98	374.30	5.65	-99.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(OC)=C1	REAL300000431005	0	41	-2.0	-94.06	364.88	5.77	-88.29
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000431006	0	44	-2.0	-108.88	382.35	6.07	-102.81
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(OC)=C1	REAL300000431007	0	44	-2.0	-106.73	383.95	6.38	-100.35
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(OC)=C1	REAL300000431008	0	41	-2.0	-103.82	370.95	5.60	-98.22
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(OC)=C1	REAL300000431009	0	41	-2.0	-111.17	374.50	5.69	-105.48
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2OC)C=C1C(=O)[O-]	REAL300000431010	0	44	-2.0	-107.70	383.44	6.19	-101.51
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2OC)C=C1C(=O)[O-]	REAL300000431011	0	42	-2.0	-105.62	377.49	5.22	-100.40
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(OC)=C1	REAL300000431012	0	41	-2.0	-95.63	369.54	5.65	-89.98
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(OC)=C1	REAL300000431013	0	41	-2.0	-103.91	369.42	5.81	-98.10
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(OC)=C1	REAL300000431014	0	38	-2.0	-110.47	353.11	5.03	-105.44
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000431015	0	41	-2.0	-97.69	370.63	5.57	-92.12
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(OC)=C1	REAL300000431016	0	37	-2.0	-103.64	345.68	3.14	-100.50
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(OC)=C1	REAL300000431017	0	42	-2.0	-97.91	377.67	4.80	-93.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(OC)=C1	REAL300000431018	0	35	-2.0	-93.98	349.57	4.00	-89.98
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2OC)C=C(C(=O)[O-])O1	REAL300000431019	0	41	-2.0	-99.48	371.60	5.00	-94.48
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)C=CC=C21	REAL300000431020	0	41	-2.0	-89.32	371.36	3.52	-85.80
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000431021	1	34	-2.0	-105.53	319.44	4.97	-100.56
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=NN(C)C2=CC=C1	REAL300000431022	0	42	-2.0	-106.20	374.53	6.02	-100.18
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C21	REAL300000431023	1	34	-2.0	-95.76	314.88	4.94	-90.82
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000431024	0	34	-2.0	-108.03	314.91	4.93	-103.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=NN(C)C2=CC=C1	REAL300000431025	0	38	-2.0	-113.03	343.05	4.73	-108.30
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=CC=C21	REAL300000431026	0	38	-2.0	-95.29	346.36	6.23	-89.06
CC1=CC=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000431027	1	37	-2.0	-109.07	330.92	5.47	-103.60
CN1N=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=CC=C21	REAL300000431028	0	34	-2.0	-103.32	327.98	5.52	-97.80
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C21	REAL300000431029	0	34	-2.0	-103.90	327.41	5.33	-98.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)=C1C	REAL300000431030	1	40	-2.0	-110.27	348.01	6.27	-104.00
CN1N=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=CC=C21	REAL300000431031	0	34	-2.0	-105.08	320.39	5.00	-100.08
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=CC=C21	REAL300000431032	0	40	-2.0	-94.33	358.47	6.52	-87.81
CN1N=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C21	REAL300000431033	0	31	-2.0	-102.34	308.09	3.95	-98.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=NN(C)C2=CC=C1	REAL300000431034	1	37	-2.0	-108.51	330.34	5.72	-102.79
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=CC=C21	REAL300000431035	1	38	-2.0	-93.96	345.97	5.21	-88.75
CN1C=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000431036	0	35	-2.0	-106.35	321.56	4.28	-102.07
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=NN(C)C2=CC=C1	REAL300000431037	1	38	-2.0	-108.80	339.11	3.75	-105.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)=C1	REAL300000431038	0	34	-2.0	-98.58	324.04	4.62	-93.96
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000431039	1	40	-2.0	-109.65	346.35	6.25	-103.40
CN1N=CC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C21	REAL300000431040	0	31	-2.0	-103.75	306.56	3.97	-99.78
COC1=CC(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)=CC(C(=O)[O-])=C1OC	REAL300000431041	1	42	-2.0	-108.53	373.23	4.74	-103.79
COC1=CC=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000431042	1	38	-2.0	-113.81	342.20	5.00	-108.81
CN1N=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)C=CC=C21	REAL300000431043	0	44	-2.0	-112.20	370.14	7.56	-104.64
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=NN(C)C2=CC=C1	REAL300000431044	0	43	-2.0	-110.53	368.80	6.95	-103.58
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=NN(C)C2=CC=C1	REAL300000431045	0	40	-2.0	-106.74	345.03	6.66	-100.08
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=NN(C)C2=CC=C1	REAL300000431046	0	41	-2.0	-113.70	365.34	5.50	-108.20
CN1N=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000431047	0	36	-3.0	-183.65	343.31	5.50	-178.15
CN1N=CC2=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000431047	1	37	-2.0	-110.64	343.62	5.41	-105.23
CN1N=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=CC=C21	REAL300000431048	0	41	-2.0	-112.60	359.15	6.83	-105.77
CC1=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C(C(=O)[O-])O1	REAL300000431049	0	34	-2.0	-101.85	317.91	4.07	-97.78
CN1N=CC2=C([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)C=CC=C21	REAL300000431050	1	40	-2.0	-112.78	357.07	4.71	-108.07
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)=C1	REAL300000431051	0	38	-2.0	-109.35	343.82	4.02	-105.33
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)C=CC=C21	REAL300000431052	1	42	-2.0	-94.56	367.82	5.54	-89.02
CN1N=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=CC=C21	REAL300000431053	0	34	-2.0	-100.10	332.50	5.54	-94.56
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)C=CC=C21	REAL300000431054	1	38	-2.0	-92.53	362.00	5.76	-86.77
CC1=CC(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)=CC=C1OCC(=O)[O-]	REAL300000431055	1	41	-2.0	-94.40	366.06	5.93	-88.47
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=NN(C)C2=CC=C1	REAL300000431056	0	37	-2.0	-99.31	335.61	5.75	-93.56
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=CC=C21	REAL300000431057	0	38	-2.0	-93.51	352.20	5.28	-88.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000431058	1	41	-2.0	-114.37	364.04	5.91	-108.46
CC1=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C(C(=O)[O-])S1	REAL300000431059	0	34	-2.0	-105.10	323.53	4.83	-100.27
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=CC=C21	REAL300000431060	0	34	-2.0	-93.24	327.96	5.51	-87.73
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C21	REAL300000431061	0	34	-2.0	-95.32	319.44	4.98	-90.34
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C21	REAL300000431062	0	31	-2.0	-97.42	307.16	4.06	-93.36
CN1N=CC2=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000431063	0	34	-2.0	-98.97	321.31	5.00	-93.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)=C1F	REAL300000431064	0	37	-2.0	-106.48	340.66	5.64	-100.84
COC1=CC(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000431065	0	38	-2.0	-97.93	355.22	5.56	-92.37
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=CC=C21	REAL300000431066	0	34	-2.0	-95.19	320.37	5.01	-90.18
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C21	REAL300000431067	0	34	-2.0	-93.38	327.41	5.34	-88.04
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=NN(C)C2=CC=C1	REAL300000431068	0	37	-2.0	-100.89	344.36	6.14	-94.75
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)C=CC=C21	REAL300000431069	0	42	-2.0	-91.98	378.64	6.35	-85.63
CN1N=CC2=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000431070	0	34	-2.0	-97.26	325.73	5.03	-92.23
CN1N=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=CC=C21	REAL300000431071	0	36	-2.0	-93.29	343.10	5.60	-87.69
CN1N=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=CC=C21	REAL300000431072	0	35	-2.0	-107.44	324.62	2.65	-104.79
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=CC=C21	REAL300000431073	0	37	-2.0	-98.93	337.07	5.71	-93.22
CN1N=CC2=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000431074	0	34	-2.0	-98.63	335.61	5.47	-93.16
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C2C=NN(C)C2=CC=C1	REAL300000431075	1	37	-2.0	-104.37	324.94	5.57	-98.80
CC1=CC(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)=CC(C(=O)[O-])=C1F	REAL300000431076	1	37	-2.0	-106.88	339.74	5.59	-101.29
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2C=NN(C)C2=CC=C1	REAL300000431077	1	37	-2.0	-95.84	330.32	5.71	-90.13
CC1=CC(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)=CC(C(=O)[O-])=C1C	REAL300000431078	1	40	-2.0	-111.03	347.78	6.00	-105.03
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=CC=C21	REAL300000431079	0	36	-2.0	-106.57	341.46	6.03	-100.54
CN1N=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=CC=C21	REAL300000431080	0	34	-2.0	-96.87	326.64	5.06	-91.81
CC1=CC=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C(C)=C1C(=O)[O-]	REAL300000431081	1	40	-2.0	-108.52	349.39	6.32	-102.20
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000431082	0	37	-2.0	-106.12	336.38	5.53	-100.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)=C1Cl	REAL300000431083	0	37	-2.0	-105.09	346.67	6.08	-99.01
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)=C1	REAL300000431084	0	37	-2.0	-113.07	339.92	5.63	-107.44
CCC1=CC=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000431085	1	40	-2.0	-109.80	349.23	6.12	-103.68
COC1=CC=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C1CC(=O)[O-]	REAL300000431086	1	41	-2.0	-110.70	365.37	5.06	-105.64
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C2C=NN(C)C2=CC=C1	REAL300000431087	0	37	-2.0	-97.67	341.17	6.12	-91.55
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)C=CC=C21	REAL300000431088	1	37	-2.0	-92.36	345.03	5.74	-86.62
CC1=CC(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)=CC(C(=O)[O-])=C1Cl	REAL300000431089	0	37	-2.0	-105.58	346.13	5.89	-99.69
CCN1C=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000431090	0	38	-2.0	-107.63	342.93	5.15	-102.48
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C(C)=C1CC(=O)[O-]	REAL300000431091	1	46	-2.0	-108.52	380.05	7.80	-100.72
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000431092	0	37	-2.0	-101.41	344.77	5.90	-95.51
CN1N=CC2=C([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)C=CC=C21	REAL300000431093	0	43	-2.0	-104.34	364.34	7.07	-97.27
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000431094	0	38	-2.0	-108.82	355.23	5.57	-103.25
CC1=CC(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)=CC=C1C(=O)[O-]	REAL300000431095	1	37	-2.0	-95.82	330.91	5.48	-90.34
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])C=CC=C21	REAL300000431096	0	39	-2.0	-99.75	358.16	7.13	-92.62
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=NN(C)C2=CC=C1	REAL300000431097	1	37	-2.0	-106.31	334.44	5.78	-100.53
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=CC=C21	REAL300000431098	0	36	-2.0	-115.52	338.63	6.78	-108.74
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=CC=C21	REAL300000431099	0	34	-2.0	-112.40	318.55	4.96	-107.44
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000431100	0	37	-2.0	-99.73	336.07	5.51	-94.22
CN1N=CC2=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=CC=C21	REAL300000431101	0	40	-2.0	-116.05	355.95	7.05	-109.00
CN1N=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C21	REAL300000431102	0	33	-2.0	-105.68	311.11	3.06	-102.62
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2C=NN(C)C2=CC=C1	REAL300000431103	0	38	-2.0	-99.76	343.11	4.73	-95.03
CN1N=CC2=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=CC=C21	REAL300000431104	0	31	-2.0	-95.79	315.01	3.91	-91.88
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=CC=C21	REAL300000431105	0	41	-2.0	-102.09	361.03	6.82	-95.27
CN1N=CC2=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=CC=C21	REAL300000431106	0	41	-2.0	-105.24	358.99	6.81	-98.43
CCC1=C(S(=O)(=O)[N-]C2=C3C=NN(C)C3=CC=C2)C=C(C(=O)[O-])O1	REAL300000431107	0	37	-2.0	-101.46	337.04	4.92	-96.54
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=NN2)=C1	REAL300000431108	0	38	-2.0	-116.20	361.78	6.64	-109.56
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=NN2)=C1	REAL300000431109	0	38	-2.0	-106.22	357.21	6.62	-99.60
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=NN2)=C1	REAL300000431110	0	38	-2.0	-119.90	357.25	6.61	-113.29
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=NN2)=C1	REAL300000431111	0	41	-2.0	-120.33	373.26	7.14	-113.19
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=NN2)=C1	REAL300000431112	0	38	-2.0	-116.89	362.72	6.67	-110.22
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=NN2)=C1	REAL300000431113	0	35	-2.0	-113.50	350.43	5.63	-107.87
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=NN2)=C1	REAL300000431114	0	41	-2.0	-120.49	372.68	7.39	-113.10
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=NN2)=C1	REAL300000431115	0	39	-2.0	-118.05	363.89	5.97	-112.08
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC(C3=CC(C)=CC=C3F)=C2)=C1	REAL300000431116	0	38	-2.0	-109.01	366.36	6.29	-102.72
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=NN2)=C1	REAL300000431117	0	35	-2.0	-114.48	348.90	5.63	-108.85
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC(C)=CC=C3F)=C2)C=C(C(=O)[O-])O1	REAL300000431118	0	38	-2.0	-112.70	360.25	5.76	-106.94
CC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC(C)=CC=C3F)=C2)C=C(C(=O)[O-])S1	REAL300000431119	0	38	-2.0	-116.57	365.87	6.50	-110.07
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=NN2)=C1	REAL300000431120	0	38	-2.0	-105.52	361.78	6.65	-98.87
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=NN2)=C1	REAL300000431121	0	35	-2.0	-107.81	349.50	5.74	-102.07
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=NN2)=C1	REAL300000431122	0	38	-2.0	-109.57	363.63	6.68	-102.89
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=NN2)=C1	REAL300000431123	0	38	-2.0	-105.67	362.69	6.68	-98.99
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=NN2)=C1	REAL300000431124	0	39	-2.0	-119.05	366.96	4.32	-114.73
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=NN2)=C1	REAL300000431125	0	41	-2.0	-109.95	379.39	7.39	-102.56
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=NN2)=C1	REAL300000431126	0	41	-2.0	-115.52	367.32	7.25	-108.27
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=NN2)=C1	REAL300000431127	0	41	-2.0	-106.38	372.66	7.38	-99.00
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC(C)=CC=C3F)=C2)C=C1C(=O)[O-]	REAL300000431128	0	42	-2.0	-119.47	385.26	6.83	-112.64
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=NN2)=C1	REAL300000431129	0	41	-2.0	-106.40	373.25	7.15	-99.25
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=NN2)=C1	REAL300000431130	0	38	-2.0	-123.51	360.91	6.65	-116.86
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=NN2)=C1	REAL300000431131	0	37	-2.0	-117.32	353.47	4.73	-112.59
CC1=CC=C(F)C(C2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=NN2)=C1	REAL300000431132	0	35	-2.0	-106.41	357.39	5.59	-100.82
CCC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC(C)=CC=C3F)=C2)C=C(C(=O)[O-])O1	REAL300000431133	0	41	-2.0	-112.49	379.35	6.61	-105.88
CN(C1=CC=C(O)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000431166	0	35	-2.0	-110.10	329.70	4.24	-105.86
CN(C1=CC=C(O)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000431198	0	33	-2.0	-110.23	294.23	2.15	-108.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)=CC=C1F	REAL300000431240	1	29	-2.0	-99.72	301.63	2.85	-96.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)C=C1	REAL300000431241	1	29	-2.0	-89.54	297.09	2.83	-86.71
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)=C1	REAL300000431242	1	29	-2.0	-101.15	297.10	2.82	-98.33
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)C=C1	REAL300000431243	1	33	-2.0	-89.43	328.56	4.12	-85.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)C=C1C(=O)[O-]	REAL300000431244	1	32	-2.0	-103.48	317.17	3.47	-100.01
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)=C1	REAL300000431245	0	29	-2.0	-98.73	302.58	2.89	-95.84
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Br)C([O-])=C2)=C1	REAL300000431245	1	28	-3.0	-190.56	299.02	3.64	-186.92
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)=C1	REAL300000431246	0	26	-2.0	-95.69	290.28	1.84	-93.85
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Br)C([O-])=C2)=C1	REAL300000431246	1	25	-3.0	-183.69	286.72	2.60	-181.09
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Br)C(O)=C1	REAL300000431247	1	32	-2.0	-102.90	312.53	3.61	-99.29
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)C=C1C(=O)[O-]	REAL300000431248	0	30	-2.0	-99.78	303.75	2.17	-97.61
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)=C1	REAL300000431249	0	29	-2.0	-92.09	306.22	2.51	-89.58
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Br)C([O-])=C2)=C1	REAL300000431249	1	28	-3.0	-169.60	302.66	3.27	-166.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)=CS1	REAL300000431250	0	26	-2.0	-97.77	288.75	1.86	-95.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)C=C(C(=O)[O-])O1	REAL300000431251	0	29	-2.0	-95.47	300.11	1.97	-93.50
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C([O-])=C2)C=C(C(=O)[O-])O1	REAL300000431251	1	28	-3.0	-182.53	296.55	2.72	-179.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)C=C(C(=O)[O-])S1	REAL300000431252	0	29	-2.0	-99.43	305.70	2.72	-96.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)C=C1F	REAL300000431253	1	29	-2.0	-89.16	301.62	2.86	-86.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)S1	REAL300000431254	0	26	-2.0	-91.21	289.37	1.95	-89.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C([O-])=C2)S1	REAL300000431254	1	25	-3.0	-177.00	285.81	2.71	-174.29
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)=C1	REAL300000431255	1	29	-2.0	-92.29	303.50	2.89	-89.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)C(F)=C1	REAL300000431256	0	29	-2.0	-88.69	302.56	2.89	-85.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C([O-])=C2)C(F)=C1	REAL300000431256	1	28	-3.0	-174.98	299.00	3.65	-171.33
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)=C1	REAL300000431257	0	30	-2.0	-101.72	306.81	0.54	-101.18
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)C=C1	REAL300000431258	1	32	-2.0	-92.97	319.26	3.61	-89.36
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Br)C(O)=C1	REAL300000431259	1	32	-2.0	-98.26	307.17	3.46	-94.80
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)C=C1C(=O)[O-]	REAL300000431261	0	33	-2.0	-100.99	325.12	3.04	-97.95
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)=CC=C1C(=O)[O-]	REAL300000431262	1	32	-2.0	-89.79	313.10	3.37	-86.42
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)=C1F	REAL300000431263	0	29	-2.0	-105.19	300.76	2.86	-102.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Br)C([O-])=C2)=C1F	REAL300000431263	1	28	-3.0	-189.31	297.20	3.62	-185.69
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)=C1	REAL300000431264	0	28	-2.0	-98.55	294.08	0.88	-97.67
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Br)C([O-])=C2)=C1	REAL300000431264	1	27	-3.0	-175.95	290.52	1.64	-174.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)=C(Cl)O1	REAL300000431265	0	26	-2.0	-89.60	297.24	1.80	-87.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C([O-])=C2)=C(Cl)O1	REAL300000431265	1	25	-3.0	-175.35	293.69	2.58	-172.77
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C(O)=C2)C=C(C(=O)[O-])O1	REAL300000431266	0	32	-2.0	-95.48	319.23	2.82	-92.66
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C([O-])=C2)C=C(C(=O)[O-])O1	REAL300000431266	1	31	-3.0	-183.29	315.67	3.57	-179.72
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1F	REAL300000431267	0	34	-2.0	-111.76	328.99	1.47	-110.29
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300000431268	0	34	-2.0	-96.26	324.45	1.45	-94.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300000431268	1	33	-3.0	-152.18	317.92	1.56	-150.62
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431269	0	34	-2.0	-92.88	324.41	1.43	-91.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431269	1	33	-3.0	-166.79	317.95	1.54	-165.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300000431270	0	37	-3.0	-173.49	346.09	1.35	-172.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300000431270	1	38	-2.0	-110.13	348.83	1.31	-108.82
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300000431271	0	38	-2.0	-97.75	355.92	2.73	-95.02
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300000431271	1	37	-3.0	-152.35	349.39	2.85	-149.50
CC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300000431272	0	37	-2.0	-110.16	344.25	2.07	-108.09
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431273	0	33	-3.0	-163.28	331.02	2.13	-161.15
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431273	1	34	-2.0	-103.09	333.67	2.09	-101.00
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1Cl	REAL300000431274	0	34	-2.0	-107.85	336.98	1.83	-106.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1Cl	REAL300000431274	1	33	-3.0	-162.37	330.45	1.95	-160.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300000431275	0	40	-2.0	-114.68	353.07	2.89	-111.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300000431275	1	39	-3.0	-170.74	350.61	2.90	-167.84
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431276	0	33	-3.0	-164.52	323.42	1.62	-162.90
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300000431277	0	40	-2.0	-92.47	368.04	3.03	-89.44
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300000431277	1	39	-3.0	-152.07	361.51	3.15	-148.92
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431278	0	30	-3.0	-159.81	311.13	0.57	-159.24
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300000431279	0	37	-2.0	-114.75	332.85	1.91	-112.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300000431279	1	36	-3.0	-168.69	333.38	2.34	-166.35
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300000431280	0	38	-2.0	-94.19	355.54	1.72	-92.47
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300000431281	0	34	-3.0	-164.33	324.60	0.90	-163.43
CN1C=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300000431281	1	35	-2.0	-93.85	331.02	0.77	-93.08
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300000431282	0	38	-2.0	-114.29	344.00	0.37	-113.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431283	0	33	-3.0	-155.29	327.07	1.23	-154.06
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300000431284	0	40	-2.0	-114.31	348.63	2.43	-111.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300000431285	0	30	-3.0	-161.69	309.59	0.59	-161.10
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300000431285	1	31	-2.0	-91.86	316.18	0.47	-91.39
COC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300000431286	0	38	-2.0	-115.06	351.69	1.50	-113.56
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300000431287	0	40	-2.0	-114.10	350.31	2.76	-111.34
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300000431287	1	39	-3.0	-167.76	348.08	3.28	-164.48
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000431288	0	33	-3.0	-159.23	320.98	0.69	-158.54
CC1=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000431288	1	34	-2.0	-107.01	323.86	0.65	-106.36
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431289	0	37	-3.0	-168.29	346.92	0.64	-167.65
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431289	1	38	-2.0	-94.03	349.60	0.63	-93.40
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300000431290	0	37	-2.0	-107.72	338.26	1.95	-105.77
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300000431290	1	36	-3.0	-158.23	338.65	2.37	-155.86
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C(=O)[O-])S1	REAL300000431291	0	33	-3.0	-164.08	326.56	1.45	-162.63
CC1=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C(=O)[O-])S1	REAL300000431291	1	34	-2.0	-110.49	329.31	1.41	-109.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=C1	REAL300000431292	0	33	-3.0	-150.40	331.00	2.12	-148.28
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=C1	REAL300000431292	1	34	-2.0	-91.13	333.64	2.10	-89.03
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300000431293	0	34	-2.0	-99.91	328.93	1.48	-98.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300000431293	1	33	-3.0	-147.77	322.46	1.60	-146.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300000431294	0	30	-3.0	-153.97	310.20	0.68	-153.29
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431295	0	34	-2.0	-86.25	330.87	1.50	-84.75
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431295	1	33	-3.0	-157.02	324.36	1.62	-155.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1F	REAL300000431296	0	36	-3.0	-165.96	343.72	2.26	-163.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300000431297	0	33	-3.0	-151.76	323.41	1.63	-150.13
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300000431298	0	34	-2.0	-95.72	336.90	1.84	-93.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300000431298	1	33	-3.0	-146.06	330.43	1.96	-144.10
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(F)=C1F	REAL300000431299	0	34	-2.0	-88.04	335.48	1.52	-86.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(F)=C1F	REAL300000431299	1	33	-3.0	-154.54	328.77	1.65	-152.89
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431300	0	34	-3.0	-167.78	327.66	-0.73	-168.51
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431300	1	34	-3.0	-167.99	326.86	0.06	-167.93
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300000431301	0	37	-2.0	-92.43	346.64	2.22	-90.21
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300000431301	1	36	-3.0	-157.25	340.11	2.34	-154.91
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300000431302	0	37	-2.0	-90.86	330.59	2.19	-88.67
CC1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(C(=O)[O-])=C1F	REAL300000431303	0	37	-2.0	-90.98	349.48	2.07	-88.91
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300000431304	0	37	-2.0	-98.68	336.12	2.31	-96.37
CC1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(C(=O)[O-])=C1C	REAL300000431305	0	40	-2.0	-89.18	357.49	2.49	-86.69
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431306	0	33	-3.0	-155.36	329.69	1.68	-153.68
CC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C)=C1C(=O)[O-]	REAL300000431307	0	40	-2.0	-94.45	353.52	2.97	-91.48
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300000431308	0	36	-3.0	-165.89	339.42	2.16	-163.73
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431309	0	36	-3.0	-171.39	342.98	2.25	-169.14
CCC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300000431310	0	40	-2.0	-110.43	358.95	2.61	-107.82
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300000431311	0	37	-3.0	-165.74	345.97	1.78	-163.96
CCN1C=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300000431311	1	38	-2.0	-94.49	352.38	1.64	-92.85
CC1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1C(=O)[O-]	REAL300000431312	0	37	-2.0	-96.45	340.57	1.96	-94.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1C(=O)[O-]	REAL300000431312	1	36	-3.0	-152.43	333.95	2.10	-150.33
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300000431313	0	37	-2.0	-114.67	340.65	2.34	-112.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1F	REAL300000431314	0	33	-3.0	-170.64	321.56	1.58	-169.06
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300000431315	0	37	-2.0	-103.03	349.36	2.12	-100.91
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300000431315	1	36	-3.0	-159.03	342.91	2.23	-156.80
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300000431316	0	32	-3.0	-164.30	314.16	-0.33	-164.63
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300000431317	0	37	-3.0	-157.19	346.15	1.35	-155.84
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300000431317	1	38	-2.0	-95.40	348.86	1.30	-94.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C(Cl)O1	REAL300000431318	0	30	-3.0	-152.72	318.09	0.53	-152.19
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000431319	0	36	-3.0	-159.58	340.07	1.55	-158.03
CCC1=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000431319	1	37	-2.0	-109.57	342.45	0.99	-108.58
CCN(C1=CC=C(O)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000431348	0	38	-2.0	-112.35	338.21	4.65	-107.70
CCN(C1=CC=C(O)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000431377	0	36	-2.0	-108.90	312.27	3.22	-105.68
CC(C)(C)C1=CC=CC2=C1OCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000431430	0	46	-2.0	-108.75	375.12	7.08	-101.67
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2O1	REAL300000431443	1	40	-2.0	-103.82	352.19	5.80	-98.02
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2O1	REAL300000431445	1	40	-2.0	-106.64	347.66	5.76	-100.88
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)C=C2O1	REAL300000431446	0	44	-2.0	-111.32	375.81	5.57	-105.75
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2O1	REAL300000431447	1	44	-2.0	-93.90	379.12	7.07	-86.83
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2O1	REAL300000431449	0	40	-2.0	-101.78	360.74	6.35	-95.43
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2O1	REAL300000431450	1	40	-2.0	-102.18	360.17	6.16	-96.02
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2O1	REAL300000431451	1	46	-2.0	-109.09	380.06	7.07	-102.02
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2O1	REAL300000431452	0	40	-2.0	-103.22	353.14	5.84	-97.38
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2O1	REAL300000431453	1	46	-2.0	-93.02	391.23	7.37	-85.65
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2O1	REAL300000431454	0	37	-2.0	-100.87	340.84	4.78	-96.09
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2O1	REAL300000431455	1	43	-2.0	-107.28	363.09	6.55	-100.73
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2O1	REAL300000431457	1	41	-2.0	-104.77	354.33	5.12	-99.65
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2O1	REAL300000431459	0	40	-2.0	-96.87	356.78	5.45	-91.42
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2O1	REAL300000431461	0	37	-2.0	-102.32	339.32	4.81	-97.51
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(CC)OC2=C1	REAL300000431463	1	46	-2.0	-105.33	377.81	7.49	-97.84
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2O1	REAL300000431464	0	40	-2.0	-100.31	350.67	4.90	-95.41
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2O1	REAL300000431465	0	44	-2.0	-107.50	376.65	4.85	-102.65
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2O1	REAL300000431466	1	43	-2.0	-97.90	368.38	6.58	-91.32
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2O1	REAL300000431467	1	40	-2.0	-103.49	356.27	5.67	-97.82
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2O1	REAL300000431468	0	40	-2.0	-91.95	360.71	6.33	-85.62
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2O1	REAL300000431469	1	40	-2.0	-93.85	352.20	5.82	-88.03
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2O1	REAL300000431470	0	37	-2.0	-95.69	339.93	4.89	-90.80
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2O1	REAL300000431471	1	40	-2.0	-97.48	354.07	5.83	-91.65
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2O1	REAL300000431472	0	43	-2.0	-104.79	373.42	6.47	-98.32
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2O1	REAL300000431473	0	40	-2.0	-93.59	353.12	5.84	-87.75
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2O1	REAL300000431474	1	40	-2.0	-91.85	360.17	6.18	-85.67
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2O1	REAL300000431475	1	40	-2.0	-95.54	358.48	5.86	-89.68
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2O1	REAL300000431476	0	41	-2.0	-105.69	357.38	3.49	-102.20
CCC1(C)OC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2O1	REAL300000431476	1	41	-2.0	-106.60	356.58	4.27	-102.33
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2O1	REAL300000431477	1	43	-2.0	-97.40	369.83	6.56	-90.84
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2O1	REAL300000431478	1	43	-2.0	-103.19	357.74	6.41	-96.78
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C2O1	REAL300000431479	1	43	-2.0	-105.53	372.49	6.42	-99.11
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2O1	REAL300000431482	0	40	-2.0	-95.21	359.42	5.89	-89.32
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2O1	REAL300000431484	0	43	-2.0	-104.23	369.15	6.37	-97.86
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2O1	REAL300000431485	0	43	-2.0	-111.38	372.67	6.46	-104.92
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(CC)OC3=C2)C=C1C(=O)[O-]	REAL300000431487	1	44	-2.0	-106.03	375.70	5.99	-100.04
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2O1	REAL300000431490	0	40	-2.0	-111.02	351.32	5.81	-105.21
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2O1	REAL300000431491	1	43	-2.0	-99.07	372.60	6.44	-92.63
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2O1	REAL300000431492	0	39	-2.0	-104.16	343.89	3.88	-100.28
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3OC)C=C2O1	REAL300000431493	0	44	-2.0	-98.41	375.86	5.56	-92.85
CCC1(C)OC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2O1	REAL300000431494	0	37	-2.0	-94.30	347.81	4.75	-89.55
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(CC)OC3=C2)C=C(C(=O)[O-])O1	REAL300000431495	0	43	-2.0	-100.20	369.79	5.75	-94.45
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(O)=C1	REAL300000431496	0	40	-2.0	-88.48	362.39	0.08	-88.40
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431497	0	33	-2.0	-105.65	310.47	1.52	-104.13
COC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C(O)=C1	REAL300000431498	0	41	-2.0	-105.18	365.56	2.58	-102.60
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(O)=C1	REAL300000431499	0	33	-2.0	-94.95	305.92	1.49	-93.46
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000431500	0	33	-2.0	-108.07	305.94	1.48	-106.59
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(O)=C1	REAL300000431501	0	37	-2.0	-111.74	334.08	1.29	-110.45
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(O)=C1	REAL300000431502	0	37	-2.0	-94.43	337.39	2.79	-91.64
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431503	0	36	-2.0	-107.45	321.95	2.02	-105.43
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(O)=C1	REAL300000431504	0	33	-2.0	-102.11	319.00	2.07	-100.04
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431505	0	33	-2.0	-103.97	318.44	1.89	-102.08
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C(O)=C1	REAL300000431506	0	33	-2.0	-97.86	331.50	2.44	-95.42
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(O)=C1	REAL300000431507	0	39	-2.0	-110.88	339.04	2.81	-108.07
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(O)=C1	REAL300000431508	0	33	-2.0	-103.83	311.41	1.56	-102.27
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(O)=C1	REAL300000431509	0	39	-2.0	-93.74	349.51	3.08	-90.66
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(O)=C1	REAL300000431510	0	30	-2.0	-102.23	299.13	0.51	-101.72
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(O)=C1	REAL300000431511	0	36	-2.0	-108.95	321.37	2.26	-106.69
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(O)=C1	REAL300000431512	1	37	-2.0	-93.25	337.00	1.78	-91.47
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431513	0	34	-2.0	-106.32	312.59	0.84	-105.48
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(O)=C1	REAL300000431514	1	37	-2.0	-109.62	329.72	0.32	-109.30
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(O)=C1	REAL300000431515	0	33	-2.0	-98.09	315.07	1.18	-96.91
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(O)=C1	REAL300000431516	1	39	-2.0	-111.53	341.39	2.90	-108.63
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(O)=C1	REAL300000431517	0	30	-2.0	-102.27	297.59	0.53	-101.74
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431518	0	41	-2.0	-108.55	364.25	1.30	-107.25
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431519	1	37	-2.0	-113.99	333.23	1.56	-112.43
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(O)=C1	REAL300000431520	0	43	-2.0	-112.80	361.17	4.12	-108.68
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(O)=C1	REAL300000431521	0	42	-2.0	-109.25	359.83	3.50	-105.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1O	REAL300000431522	0	39	-2.0	-107.33	336.06	3.20	-104.13
COC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(O)=C1	REAL300000431523	0	40	-2.0	-112.27	356.37	2.05	-110.22
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000431524	0	35	-3.0	-182.04	334.34	2.06	-179.98
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000431524	1	36	-2.0	-106.43	334.35	2.00	-104.43
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(O)=C1	REAL300000431525	0	40	-2.0	-113.15	350.18	3.38	-109.77
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(O)=C1	REAL300000431526	0	33	-2.0	-100.56	308.95	0.63	-99.93
COC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431527	0	39	-2.0	-112.78	348.10	1.27	-111.51
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(O)=C1	REAL300000431528	0	37	-2.0	-107.40	334.85	0.57	-106.83
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C(O)=C1	REAL300000431529	1	41	-2.0	-94.29	358.85	2.09	-92.20
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431530	0	33	-2.0	-97.66	333.61	2.35	-95.31
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(O)=C1	REAL300000431531	0	33	-2.0	-98.95	323.53	2.09	-96.86
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C(O)=C1	REAL300000431532	0	37	-2.0	-91.64	353.05	2.31	-89.33
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(O)=C1	REAL300000431533	1	40	-2.0	-93.71	357.09	2.48	-91.23
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C(O)=C1	REAL300000431534	0	43	-2.0	-92.78	385.69	2.74	-90.04
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(O)=C1	REAL300000431535	0	36	-2.0	-99.46	326.65	2.29	-97.17
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)C(O)=C1	REAL300000431536	1	46	-2.0	-93.78	399.55	3.41	-90.37
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(O)=C1	REAL300000431537	0	37	-2.0	-92.59	343.24	1.83	-90.76
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2O)C=C1C(=O)[O-]	REAL300000431538	1	40	-2.0	-112.73	355.08	2.46	-110.27
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(O)=C1	REAL300000431539	0	33	-2.0	-103.75	314.56	1.39	-102.36
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C(O)=C1	REAL300000431540	0	33	-2.0	-97.02	334.17	2.51	-94.51
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(O)=C1	REAL300000431541	0	33	-2.0	-92.57	318.99	2.06	-90.51
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(O)=C1	REAL300000431542	0	33	-2.0	-94.33	310.47	1.53	-92.80
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(O)=C1	REAL300000431543	0	30	-2.0	-96.33	298.20	0.61	-95.72
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000431544	0	33	-2.0	-97.53	312.35	1.55	-95.98
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(O)=C1	REAL300000431545	0	36	-2.0	-106.24	331.68	2.19	-104.05
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C(O)=C1	REAL300000431546	0	37	-2.0	-97.07	346.24	2.12	-94.95
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(O)=C1	REAL300000431547	0	33	-2.0	-94.54	311.40	1.57	-92.97
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(O)=C1	REAL300000431548	0	33	-2.0	-92.43	318.44	1.90	-90.53
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(O)=C1	REAL300000431549	0	36	-2.0	-101.19	335.38	2.68	-98.51
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(O)=C1	REAL300000431550	0	41	-2.0	-91.27	369.68	2.91	-88.36
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431551	0	33	-2.0	-97.08	316.76	1.59	-95.49
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(O)=C1	REAL300000431552	0	35	-2.0	-91.85	334.12	2.16	-89.69
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(O)=C1	REAL300000431553	0	34	-2.0	-107.72	315.65	-0.81	-108.53
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(O)=C1	REAL300000431554	0	36	-2.0	-98.30	328.11	2.27	-96.03
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431555	0	33	-2.0	-98.53	326.64	2.03	-96.50
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(O)=C1	REAL300000431556	0	36	-2.0	-102.65	315.98	2.12	-100.53
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431557	0	36	-2.0	-105.21	330.77	2.15	-103.06
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(O)=C1	REAL300000431558	1	36	-2.0	-95.42	321.35	2.25	-93.17
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431559	0	39	-2.0	-111.15	338.81	2.56	-108.59
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(O)=C1	REAL300000431560	0	35	-2.0	-104.69	332.51	2.58	-102.11
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(O)=C1	REAL300000431561	0	33	-2.0	-96.37	317.67	1.62	-94.75
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(O)=C1	REAL300000431562	1	39	-2.0	-107.22	339.47	2.89	-104.33
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(O)=C1	REAL300000431563	0	36	-2.0	-107.12	331.25	2.18	-104.94
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(O)=C1	REAL300000431564	0	36	-2.0	-105.12	337.72	2.63	-102.49
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(O)=C1	REAL300000431565	0	36	-2.0	-110.94	330.97	2.19	-108.75
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2O)C=C1C(=O)[O-]	REAL300000431566	0	39	-2.0	-108.13	339.90	2.67	-105.46
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C(O)=C1	REAL300000431567	1	40	-2.0	-110.56	356.41	1.62	-108.94
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(O)=C1	REAL300000431568	0	36	-2.0	-96.23	332.20	2.66	-93.57
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(O)=C1	REAL300000431569	0	36	-2.0	-91.41	336.07	2.31	-89.10
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431570	0	36	-2.0	-104.02	337.16	2.45	-101.57
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2O)C=C1C(=O)[O-]	REAL300000431571	0	37	-2.0	-107.64	333.96	1.71	-105.93
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C(O)=C1	REAL300000431572	1	45	-2.0	-106.79	371.09	4.36	-102.43
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C(O)=C1	REAL300000431573	0	33	-2.0	-94.54	331.54	2.05	-92.49
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431574	0	36	-2.0	-101.33	335.80	2.46	-98.87
COC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C(O)=C1	REAL300000431575	0	42	-2.0	-105.23	355.38	3.61	-101.62
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C(O)=C1	REAL300000431576	0	37	-2.0	-107.65	346.26	2.12	-105.53
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(O)=C1	REAL300000431577	0	36	-2.0	-96.74	326.01	2.13	-94.61
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(O)=C1	REAL300000431578	0	38	-2.0	-98.39	349.19	3.68	-94.71
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(O)=C1	REAL300000431579	1	36	-2.0	-104.50	325.89	2.30	-102.20
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(O)=C1	REAL300000431580	0	35	-2.0	-112.71	329.67	3.32	-109.39
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(O)=C1	REAL300000431581	0	33	-2.0	-110.18	309.60	1.52	-108.66
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000431582	0	36	-2.0	-99.60	327.10	2.07	-97.53
COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(O)=C1	REAL300000431583	0	39	-2.0	-114.44	346.98	3.61	-110.83
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(O)=C1	REAL300000431584	0	32	-2.0	-104.35	302.15	-0.39	-104.74
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(O)=C1	REAL300000431585	0	37	-2.0	-99.01	334.14	1.29	-97.72
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(O)=C1	REAL300000431586	0	30	-2.0	-94.77	306.04	0.46	-94.31
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(O)=C1	REAL300000431587	0	40	-2.0	-101.87	352.06	3.38	-98.49
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(O)=C1	REAL300000431588	0	40	-2.0	-103.81	350.02	3.36	-100.45
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2O)C=C(C(=O)[O-])O1	REAL300000431589	0	36	-2.0	-101.94	328.05	1.48	-100.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OCC2CCC2)C=C1	REAL300000431590	0	42	-2.0	-98.37	381.73	7.92	-90.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OCC2CCC2)=C1	REAL300000431591	0	42	-2.0	-111.50	381.73	7.92	-103.58
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OCC2CCC2)C=C1C(=O)[O-]	REAL300000431592	0	43	-2.0	-109.80	388.38	7.26	-102.54
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OCC2CCC2)C=C(C(=O)[O-])O1	REAL300000431593	0	42	-2.0	-104.83	384.70	7.05	-97.78
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OCC2CCC2)=C1	REAL300000431594	0	41	-2.0	-108.34	378.71	5.98	-102.36
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000431595	0	31	-2.0	-100.28	310.74	3.58	-96.70
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C(F)(F)F	REAL300000431596	0	31	-2.0	-90.79	306.18	3.59	-87.20
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000431597	0	31	-2.0	-102.37	306.17	3.57	-98.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)(F)F)N(C)N=C1	REAL300000431598	0	35	-2.0	-107.20	335.54	3.40	-103.80
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C(F)(F)F	REAL300000431599	0	35	-2.0	-90.54	337.64	4.87	-85.67
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000431600	0	34	-2.0	-103.34	322.21	4.10	-99.24
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C(F)(F)F	REAL300000431601	0	31	-2.0	-97.95	320.46	4.16	-93.79
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000431602	0	31	-2.0	-98.46	318.72	3.94	-94.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)=C1C	REAL300000431603	0	37	-2.0	-105.04	338.86	4.92	-100.12
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C(F)(F)F	REAL300000431604	0	31	-2.0	-99.27	312.86	3.64	-95.63
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C(F)(F)F	REAL300000431605	0	37	-2.0	-89.49	349.77	5.16	-84.33
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C(F)(F)F	REAL300000431606	0	28	-2.0	-97.27	300.57	2.61	-94.66
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)(F)F)N(C)N=C1	REAL300000431607	0	34	-2.0	-103.00	322.83	4.37	-98.63
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C(F)(F)F	REAL300000431608	0	35	-2.0	-89.13	337.27	3.84	-85.29
CN1C=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000431609	0	32	-2.0	-101.00	312.84	2.92	-98.08
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)(F)F)N(C)N=C1	REAL300000431610	0	35	-2.0	-103.42	331.59	2.41	-101.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)=C1	REAL300000431611	0	31	-2.0	-93.36	315.30	3.25	-90.11
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000431612	0	37	-2.0	-104.09	338.84	4.91	-99.18
CN1N=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000431613	0	28	-2.0	-98.48	297.84	2.61	-95.87
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000431614	0	35	-2.0	-108.30	333.48	3.65	-104.65
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)(F)F)N(C)N=C1	REAL300000431615	0	40	-2.0	-104.93	360.09	5.57	-99.36
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)(F)F)N(C)N=C1	REAL300000431616	0	37	-2.0	-101.37	336.33	5.27	-96.10
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)(F)F)N(C)N=C1	REAL300000431617	0	38	-2.0	-107.75	357.82	4.17	-103.58
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000431618	0	33	-3.0	-176.65	335.79	4.16	-172.49
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C(F)(F)F	REAL300000431619	0	38	-2.0	-106.85	350.46	5.45	-101.40
CC1=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C=C(C(=O)[O-])O1	REAL300000431620	0	31	-2.0	-96.70	309.22	2.70	-94.00
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)=C1	REAL300000431621	0	35	-2.0	-103.74	335.11	2.68	-101.06
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000431622	0	38	-2.0	-89.57	357.35	4.56	-85.01
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)(F)F)N(C)N=C1	REAL300000431623	0	34	-2.0	-94.06	326.90	4.39	-89.67
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C(F)(F)F	REAL300000431624	0	35	-2.0	-88.92	343.50	3.89	-85.03
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000431625	0	38	-2.0	-108.93	355.35	4.54	-104.39
CC1=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C=C(C(=O)[O-])S1	REAL300000431626	0	31	-2.0	-99.82	316.02	3.49	-96.33
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C(F)(F)F	REAL300000431627	0	31	-2.0	-88.54	319.24	4.13	-84.41
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C(F)(F)F	REAL300000431628	0	31	-2.0	-90.54	310.73	3.61	-86.93
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C(F)(F)F	REAL300000431629	0	28	-2.0	-92.31	298.46	2.68	-89.63
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000431630	0	31	-2.0	-93.67	312.61	3.64	-90.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)=C1F	REAL300000431631	0	34	-2.0	-100.57	333.14	4.30	-96.27
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(F)(F)F	REAL300000431632	0	31	-2.0	-90.07	311.66	3.64	-86.43
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C(F)(F)F	REAL300000431633	0	31	-2.0	-88.49	318.70	3.98	-84.51
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)(F)F)N(C)N=C1	REAL300000431634	0	34	-2.0	-95.67	335.64	4.77	-90.90
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000431635	0	31	-2.0	-92.34	318.20	3.68	-88.66
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(F)(F)F	REAL300000431636	0	33	-2.0	-88.18	335.58	4.25	-83.93
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C(F)(F)F	REAL300000431637	0	31	-3.0	-194.83	313.54	2.19	-192.64
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C(F)(F)F	REAL300000431637	1	32	-2.0	-101.84	317.10	1.31	-100.53
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C(F)(F)F	REAL300000431638	0	34	-2.0	-93.73	328.37	4.35	-89.38
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(F)(F)F)N(C)N=C1	REAL300000431639	0	34	-2.0	-99.15	317.43	4.22	-94.93
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000431640	0	34	-2.0	-101.66	332.23	4.25	-97.41
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(F)(F)F)N(C)N=C1	REAL300000431641	0	34	-2.0	-91.05	321.60	4.34	-86.71
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000431642	0	37	-2.0	-105.22	339.07	4.63	-100.59
CN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000431643	0	33	-2.0	-101.58	332.75	4.66	-96.92
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C(F)(F)F	REAL300000431644	0	31	-2.0	-91.38	319.12	3.72	-87.66
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000431645	0	37	-2.0	-103.25	340.65	4.95	-98.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000431646	0	34	-2.0	-101.35	331.51	4.28	-97.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)=C1Cl	REAL300000431647	0	34	-2.0	-99.67	339.17	4.73	-94.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)=C1	REAL300000431648	0	34	-2.0	-107.23	331.23	4.26	-102.97
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000431649	0	37	-2.0	-103.98	340.52	4.76	-99.22
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C=C1CC(=O)[O-]	REAL300000431650	0	38	-2.0	-105.04	356.67	3.68	-101.36
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(F)(F)F)N(C)N=C1	REAL300000431651	0	34	-2.0	-92.60	332.45	4.75	-87.85
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000431652	0	34	-2.0	-100.23	338.61	4.55	-95.68
CCN1C=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000431653	0	35	-2.0	-102.24	334.21	3.80	-98.44
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000431654	0	34	-2.0	-95.95	337.25	4.56	-91.39
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000431655	0	34	-2.0	-90.85	322.20	4.12	-86.73
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)(F)F)N(C)N=C1	REAL300000431656	0	34	-2.0	-100.79	327.34	4.41	-96.38
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C(F)(F)F	REAL300000431657	0	33	-2.0	-109.82	331.13	5.44	-104.38
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C(F)(F)F	REAL300000431658	0	31	-2.0	-106.52	309.83	3.60	-102.92
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000431659	0	34	-2.0	-94.44	328.55	4.16	-90.28
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000431660	0	37	-2.0	-110.28	347.23	5.71	-104.57
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C(F)(F)F	REAL300000431661	0	30	-2.0	-99.02	303.18	1.63	-97.39
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(F)(F)F)N(C)N=C1	REAL300000431662	0	35	-2.0	-94.56	334.39	3.38	-91.18
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000431663	0	28	-2.0	-91.05	307.49	2.58	-88.47
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C(F)(F)F	REAL300000431664	0	38	-2.0	-96.79	352.32	5.46	-91.33
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C(F)(F)F	REAL300000431665	0	38	-2.0	-98.97	352.83	5.47	-93.50
CCC1=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(C)N=C2)C=C(C(=O)[O-])O1	REAL300000431666	0	34	-2.0	-96.58	328.34	3.55	-93.03
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=N2)C(C)=C1	REAL300000431667	0	41	-2.0	-107.07	369.24	7.77	-99.30
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=N2)C(C)=C1	REAL300000431668	0	41	-2.0	-97.18	364.72	7.74	-89.44
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=N2)C(C)=C1	REAL300000431669	0	41	-2.0	-109.53	364.71	7.73	-101.80
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=N2)C(C)=C1	REAL300000431670	0	45	-2.0	-96.71	396.18	9.04	-87.67
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=N2)C(C)=C1	REAL300000431671	0	44	-2.0	-110.51	380.53	8.27	-102.24
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=N2)C(C)=C1	REAL300000431672	0	47	-2.0	-112.45	397.13	9.06	-103.39
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=N2)C(C)=C1	REAL300000431673	0	41	-2.0	-106.85	370.21	7.80	-99.05
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=N2)C(C)=C1	REAL300000431674	0	47	-2.0	-96.02	408.30	9.33	-86.69
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=N2)C(C)=C1	REAL300000431675	0	38	-2.0	-103.84	357.92	6.77	-97.07
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=N2)C(C)=C1	REAL300000431676	0	44	-2.0	-110.59	380.17	8.53	-102.06
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=N2)C(C)=C1	REAL300000431677	0	42	-2.0	-108.07	371.38	7.10	-100.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3=CC=C(C)C=C3C)N=C2)=C1	REAL300000431678	0	41	-2.0	-100.00	373.86	7.42	-92.58
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=N2)C(C)=C1	REAL300000431679	0	47	-2.0	-112.05	395.90	9.09	-102.96
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=N2)C(C)=C1	REAL300000431680	0	38	-2.0	-105.36	356.39	6.78	-98.58
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=C(C)C=C2C)N=C1	REAL300000431681	0	47	-2.0	-108.92	394.88	9.45	-99.47
CC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=C(C)C=C3C)N=C2)C=C(C(=O)[O-])O1	REAL300000431682	0	41	-2.0	-103.62	367.71	6.89	-96.73
CC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=C(C)C=C3C)N=C2)C=C(C(=O)[O-])S1	REAL300000431683	0	41	-2.0	-106.97	374.43	7.63	-99.34
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=N2)C(C)=C1	REAL300000431684	0	41	-2.0	-96.71	369.26	7.79	-88.92
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=N2)C(C)=C1	REAL300000431685	0	38	-2.0	-98.78	356.98	6.86	-91.92
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=N2)C(C)=C1	REAL300000431686	0	41	-2.0	-100.40	371.11	7.81	-92.59
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=N2)C(C)=C1	REAL300000431687	0	41	-2.0	-96.46	370.20	7.82	-88.64
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=N2)C(C)=C1	REAL300000431688	0	42	-2.0	-109.69	374.46	5.45	-104.24
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=N2)C(C)=C1	REAL300000431689	0	44	-2.0	-100.75	386.90	8.52	-92.23
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=N2)C(C)=C1	REAL300000431690	0	44	-2.0	-105.64	374.81	8.37	-97.27
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=N2)C(C)=C1	REAL300000431691	0	44	-2.0	-97.39	380.15	8.52	-88.87
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=N2)C(C)=C1	REAL300000431692	0	47	-2.0	-113.90	402.28	8.94	-104.96
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=N2)C(C)=C1	REAL300000431693	0	47	-2.0	-109.76	399.29	9.12	-100.64
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=C(C)C=C3C)N=C2)C=C1C(=O)[O-]	REAL300000431694	0	47	-2.0	-111.08	398.78	8.92	-102.16
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3=CC=C(C)C=C3C)N=C2)C=C1C(=O)[O-]	REAL300000431695	0	45	-2.0	-109.37	392.74	7.97	-101.40
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=N2)C(C)=C1	REAL300000431696	0	44	-2.0	-97.16	380.52	8.28	-88.88
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=N2)C(C)=C1	REAL300000431697	0	41	-2.0	-113.41	368.39	7.77	-105.64
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=N2)C(C)=C1	REAL300000431698	0	40	-2.0	-107.08	360.96	5.86	-101.22
CC1=CC=C(N2C=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=N2)C(C)=C1	REAL300000431699	0	38	-2.0	-97.44	364.85	6.73	-90.71
CCC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=C(C)C=C3C)N=C2)C=C(C(=O)[O-])O1	REAL300000431700	0	44	-2.0	-103.46	386.84	7.74	-95.72
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000431703	1	40	-2.0	-108.30	356.37	6.95	-101.35
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C(C)C=C1C	REAL300000431704	0	44	-2.0	-114.52	384.50	6.76	-107.76
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C(C)C=C1C	REAL300000431705	1	44	-2.0	-95.46	387.81	8.25	-87.21
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C(C)C=C1C	REAL300000431707	0	40	-2.0	-104.47	369.43	7.53	-96.94
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000431708	1	40	-2.0	-104.27	368.88	7.34	-96.93
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C(C)C=C1C	REAL300000431709	1	46	-2.0	-112.35	389.02	8.30	-104.05
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(C)C=C1C	REAL300000431710	0	40	-2.0	-106.19	361.81	7.02	-99.17
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C(C)C=C1C	REAL300000431711	1	46	-2.0	-94.83	399.92	8.55	-86.28
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(C)C=C1C	REAL300000431712	0	37	-2.0	-102.70	349.54	5.96	-96.74
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C(C)C=C1C	REAL300000431713	1	43	-2.0	-110.16	371.79	7.74	-102.42
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000431715	1	41	-2.0	-106.74	363.00	6.30	-100.44
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C(C)C=C1C	REAL300000431717	0	40	-2.0	-98.82	365.46	6.63	-92.19
COC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000431719	0	37	-2.0	-104.08	348.02	5.98	-98.10
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)OC)=C(C)C=C1C	REAL300000431721	1	46	-2.0	-108.49	385.91	8.67	-99.82
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000431722	0	40	-2.0	-102.78	359.34	6.10	-96.68
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C(C)C=C1C	REAL300000431723	0	44	-2.0	-108.46	385.27	6.05	-102.41
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C(C)C=C1C	REAL300000431724	1	43	-2.0	-100.54	377.07	7.77	-92.77
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000431725	1	40	-2.0	-106.51	364.98	6.84	-99.67
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C(C)C=C1C	REAL300000431726	0	40	-2.0	-93.28	369.41	7.52	-85.76
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(C)C=C1C	REAL300000431727	1	40	-2.0	-95.29	360.88	6.99	-88.30
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(C)C=C1C	REAL300000431728	0	37	-2.0	-97.62	348.60	6.09	-91.53
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000431729	1	40	-2.0	-99.25	362.77	7.01	-92.24
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C(C)C=C1C	REAL300000431730	0	43	-2.0	-107.71	382.11	7.66	-100.05
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(C)C=C1C	REAL300000431731	0	40	-2.0	-95.12	361.82	7.03	-88.09
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C(C)C=C1C	REAL300000431732	1	40	-2.0	-93.39	368.85	7.35	-86.04
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000431733	1	40	-2.0	-97.27	367.19	7.04	-90.23
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C(C)C=C1C	REAL300000431734	0	41	-2.0	-109.35	366.08	4.66	-104.69
COC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C(C)C=C1C	REAL300000431734	1	41	-2.0	-105.07	359.47	5.54	-99.53
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C(C)C=C1C	REAL300000431735	1	43	-2.0	-99.87	378.52	7.74	-92.13
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C(C)C=C1C	REAL300000431736	1	43	-2.0	-103.79	366.41	7.61	-96.18
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C(C)C=C1C	REAL300000431740	0	40	-2.0	-97.67	368.09	7.07	-90.60
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C(C)C=C1C	REAL300000431742	0	43	-2.0	-108.55	381.93	7.66	-100.89
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C(C)C=C1C	REAL300000431743	0	43	-2.0	-112.34	381.39	7.65	-104.69
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=C(C)C=C2C)C=C1C(=O)[O-]	REAL300000431745	1	44	-2.0	-107.87	384.39	7.16	-100.71
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(C)C=C1C	REAL300000431748	0	40	-2.0	-111.53	360.00	6.98	-104.55
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000431749	1	43	-2.0	-99.92	377.55	7.52	-92.40
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(C)C=C1C	REAL300000431750	0	39	-2.0	-106.43	353.34	5.02	-101.41
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C(C)C=C1C	REAL300000431751	0	44	-2.0	-100.14	384.56	6.75	-93.39
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000431752	0	37	-2.0	-96.46	356.46	5.93	-90.53
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=C(C)C=C2C)C=C(C(=O)[O-])O1	REAL300000431753	0	43	-2.0	-102.90	378.48	6.94	-95.96
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Br)=C(F)C=C2F)=C1	REAL300000431756	0	25	-2.0	-94.60	287.65	4.86	-89.74
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=C(F)C=C2F)C=C(C(=O)[O-])O1	REAL300000431759	1	28	-2.0	-93.11	301.90	4.90	-88.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=C(F)C=C2F)S1	REAL300000431760	1	25	-2.0	-88.54	291.15	4.87	-83.67
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Br)=C(F)C=C2F)=C1	REAL300000431761	0	27	-2.0	-97.58	291.45	3.90	-93.68
COCC(C)OC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000431765	0	42	-2.0	-101.43	383.74	5.78	-95.65
COCC(C)OC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000431766	0	42	-2.0	-115.09	383.74	5.77	-109.32
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2O1	REAL300000431767	1	43	-2.0	-104.69	371.46	6.60	-98.09
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2O1	REAL300000431769	1	43	-2.0	-107.13	366.93	6.57	-100.56
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2O1	REAL300000431771	0	43	-2.0	-103.87	372.40	6.64	-97.23
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2O1	REAL300000431772	0	40	-2.0	-101.36	360.11	5.59	-95.77
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2O1	REAL300000431773	1	46	-2.0	-107.33	382.36	7.36	-99.97
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2O1	REAL300000431774	1	44	-2.0	-105.48	373.57	5.92	-99.56
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2O1	REAL300000431775	0	43	-2.0	-97.23	376.05	6.26	-90.97
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2O1	REAL300000431776	0	40	-2.0	-102.50	358.58	5.61	-96.89
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2O1	REAL300000431777	0	43	-2.0	-100.55	369.94	5.71	-94.84
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2O1	REAL300000431778	1	43	-2.0	-104.24	375.53	6.48	-97.76
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2O1	REAL300000431779	1	43	-2.0	-94.25	371.45	6.61	-87.64
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2O1	REAL300000431780	0	40	-2.0	-96.26	359.22	5.71	-90.55
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2O1	REAL300000431781	1	43	-2.0	-97.59	373.33	6.64	-90.95
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2O1	REAL300000431782	0	43	-2.0	-94.11	372.39	6.65	-87.46
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2O1	REAL300000431783	0	44	-2.0	-106.45	376.63	4.29	-102.16
CCC1(CC)OC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2O1	REAL300000431783	1	44	-2.0	-107.30	375.82	5.08	-102.22
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2O1	REAL300000431784	1	46	-2.0	-97.77	389.09	7.36	-90.41
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2O1	REAL300000431785	1	46	-2.0	-103.71	376.99	7.21	-96.50
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(CC)(CC)OC3=C2)C=C1C(=O)[O-]	REAL300000431787	1	47	-2.0	-106.79	394.95	6.79	-100.00
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2O1	REAL300000431789	0	43	-2.0	-111.07	370.58	6.61	-104.46
CCC1(CC)OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2O1	REAL300000431790	0	42	-2.0	-104.33	363.17	4.70	-99.63
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC(CC)(CC)OC3=C2)C=C(C(=O)[O-])O1	REAL300000431791	0	46	-2.0	-100.36	389.08	6.56	-93.80
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)C=C21	REAL300000431800	1	42	-2.0	-93.99	375.89	5.35	-88.64
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000431801	1	35	-2.0	-110.77	323.96	6.79	-103.98
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C2=C1	REAL300000431802	0	43	-2.0	-111.91	379.05	7.84	-104.07
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000431803	1	35	-2.0	-100.63	319.42	6.77	-93.86
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000431804	1	35	-2.0	-113.55	319.43	6.76	-106.79
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C2=C1	REAL300000431805	0	39	-2.0	-119.24	347.57	6.56	-112.68
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C21	REAL300000431806	1	39	-2.0	-100.12	350.88	8.05	-92.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C=C1C(=O)[O-]	REAL300000431807	1	38	-2.0	-114.90	335.44	7.29	-107.61
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C21	REAL300000431808	0	35	-2.0	-109.04	332.50	7.33	-101.71
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000431809	1	35	-2.0	-109.24	331.93	7.15	-102.09
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C=C3Cl)C=C21	REAL300000431810	0	35	-2.0	-104.49	345.00	7.71	-96.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)=C1C	REAL300000431811	1	41	-2.0	-116.22	351.82	8.08	-108.14
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000431812	0	35	-2.0	-110.95	324.91	6.82	-104.13
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C21	REAL300000431813	1	41	-2.0	-99.44	362.99	8.35	-91.09
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000431814	0	32	-2.0	-107.59	312.61	5.77	-101.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C2=C1	REAL300000431815	1	38	-2.0	-114.23	334.86	7.55	-106.68
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C21	REAL300000431816	1	39	-2.0	-98.82	350.50	7.04	-91.78
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C21	REAL300000431817	0	36	-2.0	-111.89	326.07	6.11	-105.78
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)=C1	REAL300000431819	0	35	-2.0	-103.68	328.54	6.44	-97.24
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C=C1C(=O)[O-]	REAL300000431820	1	41	-2.0	-115.57	350.89	8.09	-107.48
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000431821	0	32	-2.0	-109.10	311.07	5.80	-103.30
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)=CC(C(=O)[O-])=C1OC	REAL300000431822	1	43	-2.0	-113.70	377.74	6.57	-107.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C=C1C(=O)[O-]	REAL300000431823	1	39	-2.0	-119.38	346.71	6.83	-112.55
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)C=C21	REAL300000431824	1	45	-2.0	-118.37	374.67	9.39	-108.98
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C2=C1	REAL300000431825	1	44	-2.0	-116.75	373.33	8.77	-107.98
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C2=C1	REAL300000431826	1	41	-2.0	-112.43	349.57	8.49	-103.94
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C2=C1	REAL300000431827	0	42	-2.0	-119.07	369.86	7.32	-111.75
CN1C=CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C21	REAL300000431828	0	38	-2.0	-111.85	354.54	7.18	-104.67
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C21	REAL300000431828	1	37	-3.0	-189.70	347.85	7.32	-182.38
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C21	REAL300000431829	1	42	-2.0	-118.77	363.68	8.65	-110.12
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000431830	0	35	-2.0	-106.97	322.44	5.90	-101.07
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)C=C21	REAL300000431831	1	41	-2.0	-118.36	361.59	6.53	-111.83
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)=C1	REAL300000431832	0	39	-2.0	-114.88	348.35	5.85	-109.03
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)C=C21	REAL300000431833	1	43	-2.0	-100.31	373.06	7.38	-92.93
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000431834	1	35	-2.0	-102.80	347.11	7.61	-95.19
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=C21	REAL300000431835	0	35	-2.0	-105.44	337.02	7.35	-98.09
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)C=C21	REAL300000431836	1	39	-2.0	-97.22	366.52	7.58	-89.64
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)=CC=C1OCC(=O)[O-]	REAL300000431837	1	42	-2.0	-99.30	370.58	7.75	-91.55
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C2=C1	REAL300000431838	1	38	-2.0	-104.58	340.13	7.58	-97.00
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=C21	REAL300000431839	1	39	-2.0	-98.10	356.72	7.11	-90.99
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C=C1C(=O)[O-]	REAL300000431840	1	42	-2.0	-120.07	368.56	7.73	-112.34
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C=C(C(=O)[O-])S1	REAL300000431841	0	35	-2.0	-110.36	329.12	6.65	-103.71
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3Cl)C=C21	REAL300000431842	0	35	-2.0	-102.60	347.65	7.78	-94.82
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C21	REAL300000431843	0	35	-2.0	-98.15	332.48	7.32	-90.83
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000431844	1	35	-2.0	-99.94	323.95	6.80	-93.14
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000431845	0	32	-2.0	-102.43	311.70	5.89	-96.54
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000431846	1	35	-2.0	-104.18	325.83	6.82	-97.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)=C1F	REAL300000431847	0	38	-2.0	-112.40	345.19	7.46	-104.94
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000431848	0	39	-2.0	-102.69	359.74	7.39	-95.30
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000431849	0	35	-2.0	-100.19	324.89	6.83	-93.36
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C21	REAL300000431850	1	35	-2.0	-98.12	331.93	7.16	-90.96
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C2=C1	REAL300000431851	1	38	-2.0	-106.27	348.86	7.97	-98.30
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)C=C21	REAL300000431852	1	43	-2.0	-96.76	383.18	8.17	-88.59
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000431853	1	35	-2.0	-102.05	330.25	6.85	-95.20
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C21	REAL300000431854	0	37	-2.0	-98.16	347.63	7.43	-90.73
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000431855	0	36	-2.0	-113.23	329.14	4.46	-108.77
CN1C=CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000431855	1	36	-2.0	-108.88	318.17	5.35	-103.53
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000431856	1	38	-2.0	-104.39	341.59	7.54	-96.85
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000431857	1	35	-2.0	-103.56	340.14	7.29	-96.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C2=C1	REAL300000431858	1	38	-2.0	-109.67	329.49	7.40	-102.27
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000431859	1	38	-2.0	-112.16	344.26	7.41	-104.75
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C2=C1	REAL300000431860	1	38	-2.0	-100.67	334.84	7.54	-93.13
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000431861	1	41	-2.0	-118.06	356.93	7.96	-110.10
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=C21	REAL300000431862	0	37	-2.0	-111.31	345.98	7.86	-103.45
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C21	REAL300000431863	0	35	-2.0	-102.29	331.18	6.88	-95.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C(C)=C1C(=O)[O-]	REAL300000431864	1	41	-2.0	-114.21	352.82	8.16	-106.05
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C=C1C(=O)[O-]	REAL300000431865	0	38	-2.0	-113.25	344.74	7.46	-105.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)=C1Cl	REAL300000431866	0	38	-2.0	-110.84	351.19	7.90	-102.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)=C1	REAL300000431867	0	38	-2.0	-118.69	344.46	7.45	-111.24
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C=C1C(=O)[O-]	REAL300000431868	1	41	-2.0	-115.68	353.39	7.94	-107.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C=C1CC(=O)[O-]	REAL300000431869	1	42	-2.0	-116.11	369.90	6.89	-109.22
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C2=C1	REAL300000431870	1	38	-2.0	-102.76	345.69	7.94	-94.82
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)C=C21	REAL300000431871	1	38	-2.0	-97.08	349.55	7.56	-89.52
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000431872	1	38	-2.0	-111.10	350.65	7.72	-103.38
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C=C1C(=O)[O-]	REAL300000431873	0	39	-2.0	-113.20	347.38	6.97	-106.23
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C=C1C(=O)[O-]	REAL300000431875	1	38	-2.0	-106.86	349.30	7.73	-99.13
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)C=C21	REAL300000431876	0	44	-2.0	-110.02	368.87	8.89	-101.13
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C=C1C(=O)[O-]	REAL300000431877	0	39	-2.0	-114.49	359.76	7.40	-107.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)=CC=C1C(=O)[O-]	REAL300000431878	1	38	-2.0	-100.90	335.44	7.30	-93.60
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])C=C21	REAL300000431879	0	40	-2.0	-105.93	360.15	8.93	-97.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C2=C1	REAL300000431880	1	38	-2.0	-111.68	338.97	7.60	-104.08
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=C21	REAL300000431881	0	37	-2.0	-121.13	343.17	8.61	-112.52
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000431882	0	35	-2.0	-117.89	323.09	6.79	-111.10
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C=C1C(=O)[O-]	REAL300000431883	1	38	-2.0	-105.08	340.61	7.33	-97.75
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C21	REAL300000431884	1	41	-2.0	-122.10	360.47	8.88	-113.22
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000431885	0	34	-2.0	-110.67	316.42	4.81	-105.86
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C2=C1	REAL300000431886	0	39	-2.0	-105.14	347.62	6.56	-98.58
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000431887	0	32	-2.0	-100.75	319.58	5.73	-95.02
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C21	REAL300000431888	1	42	-2.0	-107.40	365.55	8.65	-98.75
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C21	REAL300000431889	1	42	-2.0	-111.26	364.86	8.65	-102.61
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000431890	0	38	-2.0	-106.77	341.56	6.75	-100.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=CC=CC=C2)C=C1	REAL300000431891	1	38	-2.0	-91.80	360.80	9.32	-82.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=CC=CC=C2)=C1	REAL300000431892	1	38	-2.0	-105.05	360.79	9.31	-95.74
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=CC=CC=C2)=C1	REAL300000431893	0	35	-2.0	-99.13	353.96	8.34	-90.79
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000431894	0	39	-2.0	-103.04	367.46	8.66	-94.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=CC=CC=C2)=CS1	REAL300000431895	0	35	-2.0	-99.65	352.43	8.35	-91.30
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000431896	0	38	-2.0	-98.75	363.79	8.45	-90.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=CC=CC=C2)S1	REAL300000431897	0	35	-2.0	-93.40	353.03	8.43	-84.97
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=CC=CC=C2)=C1	REAL300000431898	0	37	-2.0	-101.80	356.99	7.45	-94.35
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300000431899	1	34	-2.0	-96.19	336.12	2.94	-93.25
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000431900	1	34	-2.0	-109.17	336.15	2.93	-106.24
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000431901	0	31	-2.0	-103.28	329.33	1.95	-101.33
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(S(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000431902	0	35	-2.0	-107.37	342.79	2.28	-105.09
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000431903	0	31	-2.0	-103.17	327.80	1.97	-101.20
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(S(C)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000431904	0	34	-2.0	-102.75	339.15	2.07	-100.68
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000431905	0	31	-2.0	-97.38	328.42	2.06	-95.32
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000431906	0	33	-2.0	-106.36	332.38	1.06	-105.30
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(Cl)=C1	REAL300000431916	1	35	-2.0	-99.09	344.16	5.44	-93.65
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2Cl)=C1	REAL300000431921	1	38	-2.0	-95.29	360.03	6.09	-89.20
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(Cl)=C1	REAL300000431930	1	35	-2.0	-94.18	343.23	5.55	-88.63
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(Cl)=C1	REAL300000431933	0	39	-2.0	-104.57	354.63	4.97	-99.60
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(Cl)=C1	REAL300000431943	1	37	-2.0	-102.35	347.18	4.53	-97.82
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(Cl)=C1	REAL300000431945	1	35	-2.0	-92.74	351.07	5.38	-87.36
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1	REAL300000431947	0	32	-2.0	-83.28	330.47	3.12	-80.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC=C1F	REAL300000431948	0	25	-2.0	-99.05	278.54	4.56	-94.49
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(Cl)=C1	REAL300000431949	0	33	-2.0	-100.47	333.62	5.63	-94.84
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000431950	0	25	-2.0	-96.75	290.42	5.24	-91.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1	REAL300000431951	1	25	-2.0	-89.24	273.98	4.54	-84.70
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000431952	0	25	-2.0	-101.38	274.00	4.53	-96.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(Cl)=C1	REAL300000431953	0	29	-2.0	-106.91	302.14	4.35	-102.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC=C1Br	REAL300000431954	0	25	-2.0	-96.77	290.25	5.02	-91.75
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1	REAL300000431955	0	29	-2.0	-89.02	305.45	5.82	-83.20
CC1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1C(=O)[O-]	REAL300000431956	1	28	-2.0	-102.41	290.01	5.06	-97.35
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000431957	0	25	-2.0	-97.29	287.07	5.11	-92.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC=C1Cl	REAL300000431958	0	25	-2.0	-97.30	286.51	4.92	-92.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C(Cl)C=C1Cl	REAL300000431959	0	25	-2.0	-92.97	299.57	5.48	-87.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1C	REAL300000431960	0	31	-2.0	-104.55	306.67	5.89	-98.66
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000431961	0	25	-2.0	-98.60	279.47	4.60	-94.00
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1	REAL300000431962	0	31	-2.0	-88.41	317.57	6.12	-82.29
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000431963	0	22	-2.0	-95.46	267.19	3.56	-91.90
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(Cl)=C1	REAL300000431964	0	28	-2.0	-102.63	289.43	5.31	-97.32
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1	REAL300000431965	1	29	-2.0	-87.70	305.08	4.81	-82.89
CN1C=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1C(=O)[O-]	REAL300000431966	0	26	-2.0	-99.83	280.65	3.89	-95.94
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(Cl)=C1	REAL300000431967	1	29	-2.0	-103.09	298.20	3.34	-99.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000431968	0	25	-2.0	-91.94	283.11	4.21	-87.73
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1C(=O)[O-]	REAL300000431969	1	31	-2.0	-104.00	305.07	5.88	-98.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CS1	REAL300000431970	0	22	-2.0	-96.88	265.64	3.58	-93.30
COC1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC(C(=O)[O-])=C1OC	REAL300000431971	0	33	-2.0	-101.70	332.31	4.35	-97.35
COC1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1C(=O)[O-]	REAL300000431972	1	29	-2.0	-107.13	301.29	4.60	-102.53
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000431973	0	35	-2.0	-106.22	329.23	7.16	-99.06
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(Cl)=C1	REAL300000431974	0	34	-2.0	-104.68	327.89	6.55	-98.13
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(Cl)=C1	REAL300000431975	0	31	-2.0	-101.10	304.17	6.26	-94.84
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(Cl)=C1	REAL300000431976	0	32	-2.0	-106.67	324.43	5.11	-101.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000431977	0	27	-3.0	-174.92	302.40	5.10	-169.82
O=C([O-])C1=CC(S(=O)(=O)NC2=CSC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000431977	1	28	-2.0	-105.13	304.40	5.10	-100.03
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000431978	0	32	-2.0	-106.52	318.24	6.42	-100.10
CC1=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000431979	0	25	-2.0	-95.64	277.01	3.68	-91.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC2=C1OCCO2	REAL300000431980	0	31	-2.0	-106.06	316.16	4.31	-101.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000431981	0	29	-2.0	-102.53	302.98	3.63	-98.90
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CSC(Cl)=C3)C=C2C1	REAL300000431982	1	33	-2.0	-88.25	326.91	5.13	-83.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC(Cl)=C1Cl	REAL300000431983	0	25	-2.0	-91.08	301.67	5.38	-85.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C(Cl)C=C1F	REAL300000431984	0	25	-2.0	-94.16	291.58	5.13	-89.03
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1Cl	REAL300000431985	0	29	-2.0	-86.32	321.12	5.35	-80.97
CC1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC=C1OCC(=O)[O-]	REAL300000431986	1	32	-2.0	-88.31	325.15	5.52	-82.79
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1F	REAL300000431987	0	35	-2.0	-87.40	353.75	5.78	-81.62
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(Cl)=C1	REAL300000431988	0	28	-2.0	-93.32	294.70	5.34	-87.98
CC1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC=C1OCCCC(=O)[O-]	REAL300000431989	1	38	-2.0	-88.62	367.61	6.45	-82.17
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1F	REAL300000431990	0	29	-2.0	-87.31	311.31	4.88	-82.43
CCOC1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1C(=O)[O-]	REAL300000431991	1	32	-2.0	-107.82	323.15	5.50	-102.32
CC1=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000431992	0	25	-2.0	-98.91	283.69	4.42	-94.49
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000431993	0	25	-2.0	-91.12	302.21	5.56	-85.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C(Cl)=C1	REAL300000431994	0	25	-2.0	-86.90	287.05	5.10	-81.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C(Br)=C1	REAL300000431995	0	25	-2.0	-86.53	290.40	5.23	-81.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1F	REAL300000431996	0	25	-2.0	-88.84	278.53	4.57	-84.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)S1	REAL300000431997	0	22	-2.0	-90.59	266.26	3.66	-86.93
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000431998	0	25	-2.0	-92.34	280.40	4.59	-87.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1F	REAL300000431999	0	28	-2.0	-99.97	299.77	5.23	-94.74
COC1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000432000	0	29	-2.0	-91.56	314.30	5.16	-86.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C(F)=C1	REAL300000432001	0	25	-2.0	-88.41	279.46	4.61	-83.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1Cl	REAL300000432002	0	25	-2.0	-86.84	286.50	4.93	-81.91
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(Cl)=C1	REAL300000432003	0	28	-2.0	-95.00	303.44	5.73	-89.27
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1	REAL300000432004	0	33	-2.0	-86.12	337.74	5.94	-80.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1Br	REAL300000432005	0	25	-2.0	-86.37	290.24	5.03	-81.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC(F)=C1F	REAL300000432006	0	25	-2.0	-90.71	284.82	4.62	-86.09
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000432007	0	27	-2.0	-86.60	302.18	5.20	-81.40
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000432008	0	26	-2.0	-101.59	283.71	2.26	-99.33
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1	REAL300000432009	0	28	-2.0	-93.11	296.18	5.31	-87.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC(Cl)=C1F	REAL300000432010	0	25	-2.0	-92.14	294.70	5.06	-87.08
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CSC(Cl)=C1	REAL300000432011	0	28	-2.0	-97.71	283.54	5.21	-92.50
CC1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC(C(=O)[O-])=C1F	REAL300000432012	0	28	-2.0	-100.31	298.83	5.18	-95.13
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CSC(Cl)=C1	REAL300000432013	1	28	-2.0	-89.63	289.41	5.30	-84.33
CC1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC(C(=O)[O-])=C1C	REAL300000432014	1	31	-2.0	-105.59	310.80	5.70	-99.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC=C1[N+](=O)[O-]	REAL300000432015	0	27	-2.0	-99.94	300.57	5.62	-94.32
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000432016	0	25	-2.0	-90.29	285.75	4.66	-85.63
CC1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000432017	1	31	-2.0	-101.84	307.38	5.95	-95.89
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1C(=O)[O-]	REAL300000432018	0	28	-2.0	-100.85	299.31	5.24	-95.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1Cl	REAL300000432019	0	28	-2.0	-98.99	305.74	5.67	-93.32
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000432020	0	28	-2.0	-105.91	299.03	5.22	-100.69
CCC1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1C(=O)[O-]	REAL300000432021	0	31	-2.0	-102.98	308.24	5.72	-97.26
COC1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1CC(=O)[O-]	REAL300000432022	1	32	-2.0	-103.20	324.47	4.66	-98.54
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CSC(Cl)=C1	REAL300000432023	0	28	-2.0	-90.89	300.26	5.72	-85.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1C(F)(F)F	REAL300000432024	0	28	-2.0	-85.88	304.12	5.33	-80.55
CC1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000432025	0	28	-2.0	-99.02	305.22	5.49	-93.53
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000432026	0	25	-2.0	-94.15	295.28	5.14	-89.01
CCN1C=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1C(=O)[O-]	REAL300000432027	0	29	-2.0	-101.10	302.02	4.76	-96.34
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C(C)=C1CC(=O)[O-]	REAL300000432028	1	37	-2.0	-101.58	339.14	7.41	-94.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C(F)C(Cl)=C1F	REAL300000432029	0	25	-2.0	-89.20	299.60	5.09	-84.11
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1C(=O)[O-]	REAL300000432030	0	28	-2.0	-95.87	307.74	5.60	-90.27
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000432031	0	34	-2.0	-99.04	323.45	6.67	-92.37
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1C(=O)[O-]	REAL300000432032	0	29	-2.0	-102.81	314.31	5.17	-97.64
CC1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000432033	1	28	-2.0	-89.32	290.00	5.07	-84.25
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C([N+](=O)[O-])=C1	REAL300000432034	0	30	-2.0	-93.68	317.27	6.73	-86.95
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(Cl)=C1	REAL300000432035	1	28	-2.0	-100.44	293.54	5.38	-95.06
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1[N+](=O)[O-]	REAL300000432036	0	27	-2.0	-108.18	297.72	6.40	-101.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1F	REAL300000432037	0	25	-2.0	-105.15	277.66	4.56	-100.59
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C1C(=O)[O-]	REAL300000432038	0	28	-2.0	-93.99	298.94	5.21	-88.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=CC2=CC=CC=C21	REAL300000432039	0	31	-2.0	-109.38	315.04	6.66	-102.72
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C1	REAL300000432040	0	24	-2.0	-98.59	270.21	2.66	-95.93
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CSC(Cl)=C1	REAL300000432041	0	29	-2.0	-93.35	302.20	4.34	-89.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(Cl)=C2)=C(Cl)O1	REAL300000432042	0	22	-2.0	-89.32	274.15	3.51	-85.81
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CSC(Cl)=C3)C=C2)CC1	REAL300000432043	0	32	-2.0	-95.84	320.12	6.42	-89.42
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CSC(Cl)=C3)C=C2C1	REAL300000432044	0	32	-2.0	-98.99	319.44	6.42	-92.57
CCC1=C(S(=O)(=O)[N-]C2=CSC(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000432045	0	28	-2.0	-95.66	296.13	4.53	-91.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)=CC=C1F	REAL300000432046	1	35	-2.0	-107.57	342.72	7.15	-100.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)C=C1	REAL300000432047	1	35	-2.0	-97.66	338.18	7.13	-90.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)=C1	REAL300000432048	0	35	-2.0	-110.30	338.19	7.12	-103.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000432049	1	38	-2.0	-111.53	354.20	7.66	-103.87
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)=C1	REAL300000432050	0	35	-2.0	-107.46	343.65	7.18	-100.28
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)=C1	REAL300000432051	0	32	-2.0	-104.75	331.37	6.14	-98.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1N1C=CC=N1	REAL300000432052	1	38	-2.0	-110.05	353.62	7.90	-102.15
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000432053	0	36	-2.0	-108.50	344.83	6.47	-102.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)=C1	REAL300000432054	0	35	-2.0	-100.80	347.32	6.80	-94.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)=CS1	REAL300000432055	0	32	-2.0	-105.98	329.84	6.15	-99.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)C=C(C(=O)[O-])O1	REAL300000432056	0	35	-2.0	-103.53	341.19	6.26	-97.27
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)C=C(C(=O)[O-])S1	REAL300000432057	0	35	-2.0	-106.64	346.81	7.01	-99.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)C=C1F	REAL300000432058	0	35	-2.0	-97.16	342.70	7.16	-90.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)S1	REAL300000432059	0	32	-2.0	-99.59	330.44	6.25	-93.34
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)=C1	REAL300000432060	0	35	-2.0	-101.37	344.59	7.19	-94.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)C(F)=C1	REAL300000432061	0	35	-2.0	-97.32	343.65	7.19	-90.13
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)=C1	REAL300000432062	0	36	-2.0	-108.60	347.90	4.83	-103.77
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)C=C1	REAL300000432063	0	38	-2.0	-100.79	360.36	7.91	-92.88
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1N1C=CC=N1	REAL300000432064	1	38	-2.0	-106.25	348.23	7.75	-98.50
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1N1C=CC=N1	REAL300000432065	1	38	-2.0	-97.21	353.60	7.89	-89.32
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)C=C1C(=O)[O-]	REAL300000432066	0	39	-2.0	-109.77	366.21	7.33	-102.44
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)=CC=C1C(=O)[O-]	REAL300000432067	1	38	-2.0	-97.79	354.20	7.66	-90.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)=C1F	REAL300000432068	0	35	-2.0	-114.52	341.82	7.15	-107.37
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)=C1	REAL300000432069	0	34	-2.0	-106.92	335.18	5.17	-101.75
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2N2C=CC=N2)C=C(C(=O)[O-])O1	REAL300000432070	0	38	-2.0	-102.32	355.86	7.25	-95.07
CCN(C1=CC=C2NC=CC2=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000432095	0	41	-2.0	-113.97	371.35	7.98	-105.99
CCN(C1=CC=C2NC=CC2=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000432115	0	39	-2.0	-113.69	345.70	5.98	-107.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C3=CC=CN=C23)C=C1	REAL300000432146	0	37	-2.0	-106.41	344.79	5.12	-101.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C3=CC=CN=C23)=C1	REAL300000432147	0	37	-2.0	-119.63	344.79	5.11	-114.52
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C3=CC=CN=C23)C=C1C(=O)[O-]	REAL300000432148	0	38	-2.0	-117.73	351.44	4.46	-113.27
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C3=CC=CN=C23)C=C(C(=O)[O-])O1	REAL300000432149	0	37	-2.0	-112.68	347.80	4.25	-108.43
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C3=CC=CN=C23)=C1	REAL300000432150	0	36	-2.0	-117.56	341.00	3.22	-114.34
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC(F)=C2O1	REAL300000432174	0	39	-2.0	-106.90	349.84	6.98	-99.92
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC(F)=C2O1	REAL300000432193	0	37	-2.0	-103.56	331.53	5.18	-98.38
CC1=CC=C(C(=O)NCC2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000432222	1	45	-2.0	-108.60	395.05	6.43	-102.17
CC1=CC=C(C(=O)NCC2CC2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000432223	1	45	-2.0	-122.30	395.05	6.42	-115.88
CC1=CC=C(C(=O)NCC2CC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000432224	0	42	-2.0	-116.09	388.24	5.44	-110.65
CC1=CC=C(C(=O)NCC2CC2)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000432225	0	46	-2.0	-120.23	401.70	5.79	-114.44
CC1=CC=C(C(=O)NCC2CC2)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000432226	0	42	-2.0	-117.47	386.70	5.46	-112.01
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)NCC3CC3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000432227	0	45	-2.0	-116.35	398.06	5.56	-110.79
CC1=CC=C(C(=O)NCC2CC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000432228	0	42	-2.0	-110.55	387.31	5.54	-105.01
CC1=CC=C(C(=O)NCC2CC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000432229	0	44	-2.0	-121.27	392.02	4.50	-116.77
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000432230	0	37	-2.0	-113.29	339.54	4.87	-108.42
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000432231	0	37	-2.0	-103.11	334.99	4.85	-98.26
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000432232	0	37	-2.0	-116.17	334.99	4.84	-111.33
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C2=NC=CC=C12	REAL300000432233	0	41	-2.0	-121.27	363.13	4.64	-116.63
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000432234	0	41	-2.0	-102.09	366.44	6.14	-95.95
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000432235	0	40	-2.0	-117.54	351.01	5.36	-112.18
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C2=NC=CC=C12	REAL300000432236	0	37	-2.0	-111.04	348.06	5.41	-105.63
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000432237	0	37	-2.0	-111.78	347.51	5.23	-106.55
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C2=NC=CC=C12	REAL300000432238	0	43	-2.0	-118.08	368.10	6.18	-111.90
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=NC=CC=C12	REAL300000432239	0	37	-2.0	-113.41	340.47	4.90	-108.51
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000432240	0	43	-2.0	-101.45	378.56	6.43	-95.02
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=NC=CC=C12	REAL300000432241	0	34	-2.0	-110.27	328.18	3.85	-106.42
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C2=NC=CC=C12	REAL300000432242	0	40	-2.0	-116.19	350.43	5.63	-110.56
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000432243	0	41	-2.0	-100.84	366.06	5.12	-95.72
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000432244	0	38	-2.0	-114.35	341.64	4.19	-110.16
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C2=NC=CC=C12	REAL300000432245	0	41	-2.0	-116.78	358.78	3.67	-113.11
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C2=NC=CC=C12	REAL300000432246	0	37	-2.0	-106.32	344.11	4.52	-101.80
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C2=NC=CC=C12	REAL300000432247	0	43	-2.0	-117.51	366.44	6.16	-111.35
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000432248	0	34	-2.0	-111.67	326.64	3.87	-107.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C3=CC=CN=C23)C=C1C(=O)[O-]	REAL300000432249	0	41	-2.0	-121.96	362.28	4.91	-117.05
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC)C2=CC=CN=C12	REAL300000432250	0	43	-2.0	-113.67	365.12	6.56	-107.11
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C2=NC=CC=C12	REAL300000432251	0	44	-2.0	-120.87	379.24	6.73	-114.14
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000432252	0	37	-2.0	-109.11	338.00	3.97	-105.14
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C2=NC=CC=C12	REAL300000432253	0	41	-2.0	-116.93	363.95	3.94	-112.99
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C2=NC=CC=C12	REAL300000432254	0	40	-2.0	-106.60	355.70	5.66	-100.94
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000432255	0	37	-2.0	-112.44	344.69	4.72	-107.72
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C2=NC=CC=C12	REAL300000432256	0	37	-2.0	-100.32	348.04	5.40	-94.92
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=NC=CC=C12	REAL300000432257	0	37	-2.0	-102.45	339.52	4.88	-97.57
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=NC=CC=C12	REAL300000432258	0	34	-2.0	-105.06	327.26	3.97	-101.09
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000432259	0	37	-2.0	-106.86	341.41	4.90	-101.96
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C2=NC=CC=C12	REAL300000432260	0	40	-2.0	-114.95	360.73	5.53	-109.42
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=NC=CC=C12	REAL300000432261	0	37	-2.0	-102.86	340.45	4.91	-97.95
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=NC=CC=C12	REAL300000432262	0	37	-2.0	-100.59	347.49	5.24	-95.35
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000432263	0	37	-2.0	-104.63	345.81	4.93	-99.70
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=NC=CC=C12	REAL300000432264	0	38	-2.0	-114.89	344.70	2.55	-112.34
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000432265	0	40	-2.0	-106.56	357.17	5.62	-100.94
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C2=NC=CC=C12	REAL300000432266	0	40	-2.0	-112.31	345.03	5.47	-106.84
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000432267	0	40	-2.0	-114.75	359.83	5.49	-109.26
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C2=NC=CC=C12	REAL300000432268	0	40	-2.0	-102.85	350.41	5.62	-97.23
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000432269	0	43	-2.0	-119.59	367.86	5.91	-113.68
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C2=NC=CC=C12	REAL300000432270	0	37	-2.0	-104.88	346.72	4.97	-99.91
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C2=NC=CC=C12	REAL300000432271	0	43	-2.0	-116.58	369.47	6.23	-110.35
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C2=NC=CC=C12	REAL300000432272	0	40	-2.0	-115.76	360.31	5.54	-110.22
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C2=NC=CC=C12	REAL300000432273	0	40	-2.0	-121.67	360.00	5.53	-116.14
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C3=CC=CN=C23)C=C1C(=O)[O-]	REAL300000432274	0	43	-2.0	-118.21	369.31	6.03	-112.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C3=CC=CN=C23)C=C1C(=O)[O-]	REAL300000432275	0	41	-2.0	-115.71	362.94	5.05	-110.66
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C2=NC=CC=C12	REAL300000432276	0	40	-2.0	-103.30	351.00	5.38	-97.92
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C2=NC=CC=C12	REAL300000432277	0	40	-2.0	-113.63	354.53	5.67	-107.96
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=NC=CC=C12	REAL300000432278	0	37	-2.0	-120.70	338.65	4.88	-115.82
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000432279	0	40	-2.0	-107.79	356.16	5.41	-102.38
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=NC=CC=C12	REAL300000432280	0	36	-2.0	-114.10	331.20	2.95	-111.15
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C2=NC=CC=C12	REAL300000432281	0	41	-2.0	-107.28	363.20	4.63	-102.65
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000432282	0	34	-2.0	-103.15	335.09	3.81	-99.34
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C2=NC=CC=C12	REAL300000432283	0	44	-2.0	-109.52	381.12	6.72	-102.80
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C2=NC=CC=C12	REAL300000432284	0	44	-2.0	-113.09	379.08	6.70	-106.39
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C3=CC=CN=C23)C=C(C(=O)[O-])O1	REAL300000432285	0	40	-2.0	-108.48	357.12	4.83	-103.65
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000432286	0	41	-2.0	-94.48	379.01	4.41	-90.07
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000432287	0	34	-2.0	-111.80	327.09	5.85	-105.95
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000432288	0	42	-2.0	-112.21	382.17	6.92	-105.29
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000432289	0	34	-2.0	-101.61	322.54	5.83	-95.78
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000432290	0	34	-2.0	-114.71	322.55	5.82	-108.89
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000432291	0	38	-2.0	-119.84	350.70	5.62	-114.22
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000432292	0	38	-2.0	-100.66	354.00	7.12	-93.54
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000432293	0	37	-2.0	-116.07	338.57	6.36	-109.71
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000432294	0	34	-2.0	-109.59	335.62	6.40	-103.19
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000432295	0	34	-2.0	-110.32	335.06	6.21	-104.11
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000432296	0	40	-2.0	-116.75	355.66	7.15	-109.60
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000432297	0	34	-2.0	-111.88	328.03	5.89	-105.99
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000432298	0	40	-2.0	-100.03	366.13	7.40	-92.63
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000432299	0	31	-2.0	-108.76	315.74	4.84	-103.92
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000432300	0	37	-2.0	-114.81	337.99	6.60	-108.21
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000432301	0	38	-2.0	-99.36	353.62	6.11	-93.25
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000432302	0	35	-2.0	-112.91	329.20	5.17	-107.74
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000432303	0	38	-2.0	-115.34	346.33	4.66	-110.68
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000432304	0	34	-2.0	-104.85	331.66	5.51	-99.34
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000432305	0	40	-2.0	-116.21	354.00	7.14	-109.07
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000432306	0	31	-2.0	-110.14	314.20	4.85	-105.29
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000432307	0	42	-2.0	-115.12	380.87	5.63	-109.49
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000432308	0	38	-2.0	-120.49	349.84	5.89	-114.60
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000432309	0	44	-2.0	-119.13	377.79	8.45	-110.68
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000432310	0	43	-2.0	-117.12	376.45	7.83	-109.29
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000432311	0	40	-2.0	-112.39	352.68	7.55	-104.84
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000432312	0	41	-2.0	-120.72	372.99	6.39	-114.33
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000432313	0	36	-3.0	-191.42	350.96	6.39	-185.03
C#CCOC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000432313	1	37	-2.0	-110.98	350.97	6.33	-104.65
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000432314	0	41	-2.0	-119.52	366.80	7.72	-111.80
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000432315	0	34	-2.0	-107.82	325.56	4.96	-102.86
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000432316	0	40	-2.0	-119.57	364.72	5.59	-113.98
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000432317	0	38	-2.0	-115.50	351.54	4.91	-110.59
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000432318	0	42	-2.0	-100.25	375.47	6.43	-93.82
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000432319	0	34	-2.0	-106.02	340.15	6.41	-99.61
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000432320	0	38	-2.0	-97.76	369.65	6.65	-91.11
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000432321	0	41	-2.0	-99.86	373.71	6.81	-93.05
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000432322	0	37	-2.0	-105.24	343.26	6.64	-98.60
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000432323	0	38	-2.0	-98.65	359.85	6.17	-92.48
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000432324	0	41	-2.0	-121.17	371.69	6.80	-114.37
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000432325	0	34	-2.0	-111.09	331.18	5.71	-105.38
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000432326	0	34	-2.0	-98.81	335.60	6.39	-92.42
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000432327	0	34	-2.0	-100.96	327.06	5.86	-95.10
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000432328	0	31	-2.0	-103.56	314.81	4.95	-98.61
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000432329	0	34	-2.0	-105.34	328.96	5.89	-99.45
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000432330	0	37	-2.0	-113.44	348.30	6.52	-106.92
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000432331	0	38	-2.0	-103.60	362.86	6.45	-97.15
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000432332	0	34	-2.0	-101.31	328.02	5.89	-95.42
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000432333	0	34	-2.0	-99.12	335.04	6.22	-92.90
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000432334	0	37	-2.0	-106.95	351.99	7.02	-99.93
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000432335	0	42	-2.0	-97.26	386.29	7.23	-90.03
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000432336	0	34	-2.0	-103.16	333.37	5.91	-97.25
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000432337	0	36	-2.0	-99.38	350.74	6.49	-92.89
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000432338	0	35	-2.0	-113.44	332.27	3.53	-109.91
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000432339	0	37	-2.0	-105.22	344.73	6.60	-98.62
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000432340	0	34	-2.0	-104.71	343.26	6.35	-98.36
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000432341	0	37	-2.0	-110.79	332.59	6.45	-104.34
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000432342	0	37	-2.0	-113.31	347.38	6.47	-106.84
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000432343	0	37	-2.0	-101.43	337.97	6.59	-94.84
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000432344	0	40	-2.0	-118.10	355.43	6.89	-111.21
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000432345	0	36	-2.0	-112.22	349.11	6.92	-105.30
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000432346	0	34	-2.0	-103.42	334.29	5.95	-97.47
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000432347	0	40	-2.0	-115.35	356.08	7.24	-108.11
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000432348	0	37	-2.0	-113.16	344.03	6.42	-106.74
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000432349	0	37	-2.0	-111.58	354.33	6.95	-104.63
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000432350	0	37	-2.0	-120.13	347.57	6.51	-113.62
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000432351	0	40	-2.0	-116.77	356.52	7.01	-109.76
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000432352	0	41	-2.0	-117.21	373.01	5.95	-111.26
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000432353	0	37	-2.0	-103.95	348.82	7.01	-96.94
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000432354	0	37	-2.0	-98.00	352.66	6.64	-91.36
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000432355	0	37	-2.0	-112.28	353.77	6.78	-105.50
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000432356	0	38	-2.0	-114.34	350.58	6.03	-108.31
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000432357	0	46	-2.0	-115.12	387.70	8.68	-106.44
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000432358	0	37	-2.0	-108.10	352.42	6.79	-101.31
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000432359	0	43	-2.0	-110.24	371.98	7.96	-102.28
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000432360	0	38	-2.0	-115.21	362.88	6.46	-108.75
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000432361	0	37	-2.0	-103.37	342.60	6.47	-96.90
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000432362	0	39	-2.0	-105.90	365.81	8.00	-97.90
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000432363	0	37	-2.0	-111.81	342.50	6.64	-105.17
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000432364	0	36	-2.0	-122.06	346.29	7.67	-114.39
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000432365	0	34	-2.0	-119.17	326.19	5.85	-113.32
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000432366	0	37	-2.0	-106.34	343.72	6.39	-99.95
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000432367	0	40	-2.0	-123.29	363.59	7.94	-115.35
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000432368	0	33	-2.0	-112.66	318.76	3.94	-108.72
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000432369	0	38	-2.0	-105.90	350.76	5.62	-100.28
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000432370	0	31	-2.0	-101.82	322.66	4.79	-97.03
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000432371	0	41	-2.0	-108.08	368.68	7.70	-100.38
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000432372	0	41	-2.0	-111.39	366.64	7.68	-103.71
C#CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000432373	0	37	-2.0	-107.31	344.66	5.81	-101.50
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1F	REAL300000432374	1	42	-2.0	-89.35	377.77	3.71	-85.64
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000432375	1	35	-2.0	-105.38	325.84	5.15	-100.23
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(OC)C(F)=C1	REAL300000432376	0	43	-2.0	-107.40	380.93	6.21	-101.19
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000432378	1	35	-2.0	-107.90	321.31	5.12	-102.78
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300000432379	0	39	-2.0	-114.41	349.45	4.92	-109.49
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000432380	1	39	-2.0	-95.32	352.76	6.42	-88.90
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1F	REAL300000432382	0	35	-2.0	-104.45	334.38	5.70	-98.75
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000432383	1	35	-2.0	-103.73	333.82	5.51	-98.22
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000432384	1	41	-2.0	-111.88	354.42	6.45	-105.43
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000432385	0	35	-2.0	-106.02	326.79	5.18	-100.84
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000432386	1	41	-2.0	-94.73	364.88	6.71	-88.02
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000432387	0	32	-2.0	-102.22	314.49	4.13	-98.09
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000432388	1	38	-2.0	-110.08	336.75	5.90	-104.18
COC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000432390	1	36	-2.0	-106.21	327.95	4.47	-101.74
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000432392	0	35	-2.0	-98.30	330.44	4.81	-93.49
COC1=CC(C)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000432394	0	32	-2.0	-103.59	312.96	4.15	-99.44
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1F	REAL300000432395	1	43	-2.0	-108.18	379.64	4.93	-103.25
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1F	REAL300000432397	1	45	-2.0	-113.91	376.55	7.75	-106.16
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1F	REAL300000432398	1	44	-2.0	-112.35	375.21	7.13	-105.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1C	REAL300000432399	1	41	-2.0	-108.65	347.88	6.70	-101.95
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1F	REAL300000432400	0	42	-2.0	-113.68	371.75	5.69	-107.99
COC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000432401	0	38	-2.0	-113.95	348.96	5.61	-108.34
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000432401	1	37	-3.0	-182.12	349.72	5.68	-176.44
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1F	REAL300000432402	1	42	-2.0	-114.20	365.56	7.02	-107.18
COC1=CC(C)=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000432403	0	35	-2.0	-102.62	324.32	4.26	-98.36
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1F	REAL300000432404	1	41	-2.0	-112.56	363.48	4.89	-107.67
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000432405	0	39	-2.0	-108.44	350.28	4.21	-104.23
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1F	REAL300000432407	0	35	-2.0	-101.18	338.91	5.71	-95.47
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1F	REAL300000432409	1	38	-2.0	-100.39	342.03	5.93	-94.46
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1F	REAL300000432410	1	39	-2.0	-93.42	358.60	5.47	-87.95
COC1=CC(C)=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000432412	1	35	-2.0	-106.36	329.94	5.01	-101.35
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1F	REAL300000432413	0	35	-2.0	-93.02	334.36	5.69	-87.33
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000432414	1	35	-2.0	-94.92	325.82	5.16	-89.76
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000432415	0	32	-2.0	-97.14	313.56	4.25	-92.89
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000432416	1	35	-2.0	-98.80	327.72	5.19	-93.61
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1F	REAL300000432417	0	38	-2.0	-107.33	347.06	5.82	-101.51
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000432418	0	35	-2.0	-94.70	326.78	5.19	-89.51
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000432419	1	35	-2.0	-93.03	333.80	5.52	-87.51
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1F	REAL300000432420	1	38	-2.0	-102.14	350.77	6.32	-95.82
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1F	REAL300000432421	1	43	-2.0	-92.21	385.05	6.53	-85.68
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000432422	1	35	-2.0	-96.92	332.13	5.21	-91.71
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1F	REAL300000432423	1	37	-2.0	-92.93	349.50	5.79	-87.14
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000432424	0	36	-2.0	-109.43	331.02	2.82	-106.61
COC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000432424	1	36	-2.0	-104.71	325.41	3.67	-101.04
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000432425	1	38	-2.0	-99.67	343.48	5.91	-93.76
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000432426	1	35	-2.0	-98.36	342.02	5.65	-92.71
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000432427	1	38	-2.0	-103.11	331.35	5.75	-97.36
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300000432431	0	37	-2.0	-106.21	347.86	6.22	-99.99
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1F	REAL300000432432	0	35	-2.0	-97.37	333.05	5.25	-92.12
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1F	REAL300000432434	0	38	-2.0	-107.02	342.78	5.72	-101.30
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1F	REAL300000432435	0	38	-2.0	-106.20	353.10	6.26	-99.94
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1F	REAL300000432436	0	38	-2.0	-111.54	346.35	5.81	-105.73
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1F	REAL300000432439	1	38	-2.0	-96.59	348.10	6.27	-90.32
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000432440	1	38	-2.0	-105.50	352.53	6.08	-99.42
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C)C=C1C(=O)[O-]	REAL300000432441	1	39	-2.0	-107.48	349.33	5.33	-102.15
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000432443	1	38	-2.0	-101.19	351.17	6.09	-95.10
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1F	REAL300000432445	0	40	-2.0	-100.20	364.57	7.31	-92.89
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1F	REAL300000432447	0	37	-2.0	-113.85	345.04	6.97	-106.88
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000432448	0	35	-2.0	-110.81	324.95	5.15	-105.66
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000432449	1	38	-2.0	-99.45	342.47	5.69	-93.76
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1F	REAL300000432450	1	41	-2.0	-115.93	362.34	7.24	-108.69
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000432451	0	34	-2.0	-105.55	317.52	3.23	-102.32
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000432452	0	39	-2.0	-99.80	349.52	4.92	-94.88
COC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000432453	0	32	-2.0	-96.07	321.42	4.09	-91.98
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1F	REAL300000432454	1	42	-2.0	-102.52	367.44	7.01	-95.51
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1F	REAL300000432455	1	42	-2.0	-103.61	365.40	6.99	-96.62
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C)C=C(C(=O)[O-])O1	REAL300000432456	0	38	-2.0	-102.64	341.44	5.04	-97.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=CC=C1F	REAL300000432457	1	31	-2.0	-102.94	316.80	2.14	-100.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1	REAL300000432458	1	31	-2.0	-93.10	312.26	2.11	-90.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000432459	1	31	-2.0	-104.88	312.27	2.10	-102.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(=O)(=O)F)=C1	REAL300000432460	0	35	-2.0	-110.91	339.17	2.02	-108.89
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1	REAL300000432461	1	35	-2.0	-92.81	343.73	3.40	-89.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1C(=O)[O-]	REAL300000432462	1	34	-2.0	-106.29	328.28	2.64	-103.65
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000432463	0	31	-2.0	-101.20	324.10	2.81	-98.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=CC=C1Cl	REAL300000432464	1	31	-2.0	-101.14	324.78	2.50	-98.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1C	REAL300000432465	1	37	-2.0	-107.81	344.94	3.45	-104.36
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000432466	0	31	-2.0	-102.85	316.50	2.30	-100.55
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1	REAL300000432467	1	37	-2.0	-91.85	355.85	3.69	-88.16
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000432468	0	28	-2.0	-99.36	305.45	1.12	-98.24
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(=O)(=O)F)=C1	REAL300000432469	1	34	-2.0	-105.78	327.69	2.89	-102.89
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1	REAL300000432470	1	35	-2.0	-91.40	343.34	2.38	-89.02
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1C(=O)[O-]	REAL300000432471	0	32	-2.0	-103.40	318.91	1.45	-101.95
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(=O)(=O)F)=C1	REAL300000432472	1	35	-2.0	-106.18	336.47	0.93	-105.25
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000432473	0	31	-2.0	-96.34	320.13	1.91	-94.43
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1C(=O)[O-]	REAL300000432474	1	37	-2.0	-108.09	342.09	3.58	-104.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=CS1	REAL300000432475	0	28	-2.0	-101.74	302.69	1.26	-100.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1C(=O)[O-]	REAL300000432476	1	35	-2.0	-110.63	339.55	2.17	-108.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(=O)(=O)F)=C1	REAL300000432477	1	37	-2.0	-104.19	342.43	3.83	-100.36
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000432478	1	38	-2.0	-109.70	356.53	4.01	-105.69
CC1=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C(C(=O)[O-])O1	REAL300000432479	0	31	-2.0	-99.25	315.27	1.24	-98.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000432480	0	35	-2.0	-106.33	341.25	1.19	-105.14
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(=O)(=O)F)=C1	REAL300000432481	1	34	-2.0	-96.65	332.97	2.92	-93.73
CC1=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C(C(=O)[O-])S1	REAL300000432482	0	31	-2.0	-103.21	319.63	2.13	-101.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C(Cl)=C1	REAL300000432483	0	31	-2.0	-91.19	324.08	2.80	-88.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1F	REAL300000432484	1	31	-2.0	-92.72	316.78	2.15	-90.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)S1	REAL300000432485	0	28	-2.0	-95.02	303.29	1.37	-93.65
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000432486	1	31	-2.0	-96.96	317.43	2.30	-94.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1F	REAL300000432487	0	34	-2.0	-103.38	338.02	2.80	-100.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C(F)=C1	REAL300000432488	0	31	-2.0	-92.95	316.49	2.31	-90.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1Cl	REAL300000432489	1	31	-2.0	-90.72	324.76	2.51	-88.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=CC(F)=C1F	REAL300000432490	1	31	-2.0	-95.36	321.85	2.33	-93.03
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000432491	0	32	-2.0	-105.38	320.74	-0.05	-105.43
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000432491	1	32	-2.0	-106.66	319.83	0.82	-105.84
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1	REAL300000432492	1	34	-2.0	-96.33	334.45	2.88	-93.45
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(S(=O)(=O)F)=C1	REAL300000432493	1	34	-2.0	-101.87	321.09	2.87	-99.00
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000432494	1	34	-2.0	-104.99	335.87	2.89	-102.10
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(S(=O)(=O)F)=C1	REAL300000432495	1	34	-2.0	-93.30	327.67	2.88	-90.42
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000432496	1	37	-2.0	-108.26	343.91	3.29	-104.97
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000432497	0	31	-2.0	-93.96	324.02	2.23	-91.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C(C)=C1C(=O)[O-]	REAL300000432498	1	37	-2.0	-106.30	344.41	3.64	-102.66
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1C(=O)[O-]	REAL300000432499	0	34	-2.0	-105.09	336.34	2.92	-102.17
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000432500	0	34	-2.0	-109.95	337.30	2.80	-107.15
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1C(=O)[O-]	REAL300000432501	1	37	-2.0	-106.92	346.55	3.28	-103.64
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1C(=O)[O-]	REAL300000432502	0	35	-2.0	-104.58	340.28	2.33	-102.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=CC=C1C(=O)[O-]	REAL300000432503	1	34	-2.0	-93.15	328.27	2.65	-90.50
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(=O)(=O)F)=C1	REAL300000432504	1	34	-2.0	-103.60	331.80	2.95	-100.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1F	REAL300000432505	0	31	-2.0	-109.59	314.69	2.27	-107.32
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C1C(=O)[O-]	REAL300000432506	1	34	-2.0	-98.22	335.98	2.91	-95.31
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000432507	0	30	-2.0	-102.60	308.48	0.24	-102.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(S(=O)(=O)F)=C1	REAL300000432508	0	35	-2.0	-97.73	339.22	2.04	-95.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)=C(Cl)O1	REAL300000432509	0	28	-2.0	-93.69	311.17	1.22	-92.47
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(S(=O)(=O)F)=C3)C=C2)CC1	REAL300000432510	1	38	-2.0	-100.02	357.15	4.11	-95.91
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(S(=O)(=O)F)=C3)C=C2C1	REAL300000432511	1	38	-2.0	-102.63	357.73	3.99	-98.64
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(S(=O)(=O)F)=C2)C=C(C(=O)[O-])O1	REAL300000432512	0	34	-2.0	-99.09	334.40	2.09	-97.00
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000432513	0	38	-2.0	-110.09	346.37	6.12	-103.97
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300000432514	0	38	-2.0	-101.21	341.82	6.11	-95.10
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1O	REAL300000432515	0	38	-2.0	-112.83	341.84	6.09	-106.74
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1O	REAL300000432516	0	42	-2.0	-119.47	369.98	5.78	-113.69
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1O	REAL300000432517	0	42	-2.0	-100.39	373.29	7.40	-92.99
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000432518	0	41	-2.0	-116.06	357.86	6.63	-109.43
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1O	REAL300000432519	0	38	-2.0	-109.34	354.92	6.65	-102.69
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000432520	0	38	-2.0	-108.66	354.35	6.48	-102.18
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1O	REAL300000432521	0	44	-2.0	-117.02	374.52	7.44	-109.58
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1O	REAL300000432522	0	38	-2.0	-111.32	347.32	6.16	-105.16
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1O	REAL300000432523	0	44	-2.0	-99.72	385.41	7.68	-92.04
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1O	REAL300000432524	0	35	-2.0	-107.59	335.04	5.14	-102.45
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1O	REAL300000432525	0	41	-2.0	-114.74	357.27	6.83	-107.91
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1O	REAL300000432526	0	42	-2.0	-98.94	372.91	6.37	-92.57
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1O	REAL300000432527	0	39	-2.0	-111.36	348.49	5.49	-105.87
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1O	REAL300000432528	0	42	-2.0	-115.04	366.05	4.86	-110.18
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1O	REAL300000432529	0	38	-2.0	-104.68	350.95	5.80	-98.88
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1O	REAL300000432530	0	44	-2.0	-115.94	373.30	7.36	-108.58
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1O	REAL300000432531	0	35	-2.0	-108.65	333.49	5.15	-103.50
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1O	REAL300000432532	0	42	-2.0	-118.66	369.12	6.17	-112.49
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC(C(=O)OC)=C1O	REAL300000432533	0	44	-2.0	-113.01	368.39	7.62	-105.39
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1O	REAL300000432534	0	38	-2.0	-107.95	344.85	5.24	-102.71
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1O	REAL300000432535	0	42	-2.0	-115.05	370.81	5.07	-109.98
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1O	REAL300000432536	0	41	-2.0	-105.38	362.55	6.87	-98.51
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1O	REAL300000432537	0	38	-2.0	-111.04	351.53	5.97	-105.07
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1O	REAL300000432538	0	38	-2.0	-98.60	354.89	6.64	-91.96
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1O	REAL300000432539	0	38	-2.0	-100.48	346.36	6.14	-94.34
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1O	REAL300000432540	0	35	-2.0	-103.45	334.11	5.26	-98.19
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1O	REAL300000432541	0	38	-2.0	-103.92	348.25	6.15	-97.77
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1O	REAL300000432542	0	41	-2.0	-112.91	367.61	6.81	-106.10
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1O	REAL300000432543	0	38	-2.0	-100.85	347.31	6.17	-94.68
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1O	REAL300000432544	0	38	-2.0	-98.69	354.33	6.50	-92.19
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1O	REAL300000432545	0	39	-2.0	-114.26	351.55	3.70	-110.56
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1O	REAL300000432546	0	41	-2.0	-105.47	364.01	6.87	-98.60
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1O	REAL300000432547	0	41	-2.0	-109.59	351.88	6.69	-102.90
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000432548	0	41	-2.0	-113.63	366.68	6.74	-106.89
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1O	REAL300000432549	0	41	-2.0	-101.41	357.26	6.81	-94.60
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000432550	0	44	-2.0	-116.09	374.72	7.16	-108.93
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1O	REAL300000432551	0	44	-2.0	-113.99	375.23	7.49	-106.50
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1O	REAL300000432552	0	41	-2.0	-113.77	367.16	6.79	-106.98
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1O	REAL300000432553	0	41	-2.0	-118.63	366.88	6.79	-111.84
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(C(=O)OC)=C2O)C=C1C(=O)[O-]	REAL300000432554	0	44	-2.0	-114.81	375.78	7.27	-107.54
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC(C(=O)OC)=C2O)C=C1C(=O)[O-]	REAL300000432555	0	42	-2.0	-114.21	369.85	6.35	-107.86
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1O	REAL300000432556	0	41	-2.0	-101.54	357.85	6.65	-94.89
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1O	REAL300000432557	0	41	-2.0	-112.35	361.38	6.94	-105.41
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1O	REAL300000432558	0	38	-2.0	-117.67	345.50	6.13	-111.54
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000432559	0	41	-2.0	-107.20	366.78	6.77	-100.43
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1O	REAL300000432560	0	37	-2.0	-112.33	338.06	4.25	-108.08
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1O	REAL300000432561	0	42	-2.0	-105.66	370.05	5.78	-99.88
COC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1O	REAL300000432562	0	35	-2.0	-101.65	342.00	5.09	-96.56
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=CC(C(=O)OC)=C2O)C=C(C(=O)[O-])O1	REAL300000432563	0	41	-2.0	-107.90	361.94	6.02	-101.88
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000432564	0	37	-2.0	-104.51	355.29	6.98	-97.53
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300000432565	0	37	-2.0	-94.14	350.73	6.96	-87.18
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)S1	REAL300000432566	0	37	-2.0	-106.99	350.75	6.95	-100.04
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000432567	0	40	-2.0	-107.74	366.77	7.48	-100.26
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000432568	0	37	-2.0	-104.17	356.22	7.01	-97.16
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)S1	REAL300000432569	0	34	-2.0	-101.21	343.91	5.97	-95.24
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)S1	REAL300000432570	0	40	-2.0	-107.23	366.19	7.73	-99.50
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)S1	REAL300000432571	0	38	-2.0	-105.02	357.41	6.30	-98.72
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)S1	REAL300000432572	0	37	-2.0	-97.14	359.87	6.63	-90.51
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)S1	REAL300000432573	0	34	-2.0	-102.68	342.41	5.99	-96.69
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)S1	REAL300000432574	0	37	-2.0	-100.48	353.73	6.10	-94.38
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)S1	REAL300000432575	0	37	-2.0	-103.74	359.36	6.84	-96.90
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000432576	0	37	-2.0	-93.78	355.27	6.99	-86.79
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)S1	REAL300000432577	0	34	-2.0	-96.01	343.02	6.08	-89.93
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000432578	0	37	-2.0	-97.78	357.16	7.01	-90.77
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000432579	0	37	-2.0	-93.73	356.20	7.02	-86.71
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)S1	REAL300000432580	0	38	-2.0	-105.89	360.47	4.66	-101.23
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)S1	REAL300000432581	0	40	-2.0	-97.55	372.92	7.73	-89.82
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000432582	0	40	-2.0	-102.49	360.76	7.58	-94.91
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000432583	0	40	-2.0	-94.07	366.16	7.73	-86.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=C(C)S2)C=C1C(=O)[O-]	REAL300000432584	0	41	-2.0	-106.19	378.78	7.18	-99.01
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000432585	0	40	-2.0	-95.80	370.80	7.59	-88.21
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000432586	0	37	-2.0	-110.53	354.39	6.97	-103.56
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)S1	REAL300000432587	0	36	-2.0	-104.51	346.94	5.07	-99.44
CC1=CC=C(C2=NC=CC=C2[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)S1	REAL300000432588	0	34	-2.0	-94.69	350.83	5.93	-88.76
CCC1=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=C(C)S2)C=C(C(=O)[O-])O1	REAL300000432589	0	40	-2.0	-99.86	370.97	6.88	-92.98
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000432590	1	31	-2.0	-103.38	312.91	6.33	-97.05
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000432591	1	31	-2.0	-93.53	308.35	6.30	-87.23
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000432592	1	31	-2.0	-106.02	308.38	6.30	-99.72
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000432593	1	35	-2.0	-93.36	339.83	7.59	-85.77
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000432594	1	34	-2.0	-107.24	324.40	6.83	-100.41
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000432595	1	37	-2.0	-109.58	341.05	7.64	-101.94
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000432596	0	31	-2.0	-103.59	313.86	6.35	-97.24
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000432597	1	37	-2.0	-92.61	351.94	7.89	-84.72
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000432598	0	28	-2.0	-100.49	301.56	5.31	-95.18
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000432599	1	34	-2.0	-107.40	323.81	7.08	-100.32
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000432600	0	32	-2.0	-104.36	315.03	5.64	-98.72
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=CC(Br)=C2)=C1	REAL300000432601	0	31	-2.0	-96.46	317.49	5.97	-90.49
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000432603	0	28	-2.0	-101.88	300.03	5.33	-96.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(Br)=C1	REAL300000432604	1	37	-2.0	-105.86	338.51	8.01	-97.85
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(Br)=C2)C=C(C(=O)[O-])O1	REAL300000432605	0	31	-2.0	-100.21	311.39	5.44	-94.77
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(Br)=C2)C=C(C(=O)[O-])S1	REAL300000432606	0	31	-2.0	-103.77	316.98	6.19	-97.58
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000432607	1	31	-2.0	-93.03	312.90	6.34	-86.69
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000432608	0	28	-2.0	-95.32	300.64	5.42	-89.90
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000432609	1	31	-2.0	-96.85	314.78	6.36	-90.49
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000432610	0	31	-2.0	-92.89	313.83	6.37	-86.52
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000432611	0	32	-2.0	-106.36	318.09	4.00	-102.36
CC1=CC(Br)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000432611	1	32	-2.0	-104.73	317.28	4.79	-99.94
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000432612	1	34	-2.0	-97.55	330.54	7.08	-90.47
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000432613	1	34	-2.0	-101.83	318.42	6.93	-94.90
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000432615	1	37	-2.0	-110.45	345.88	7.50	-102.95
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000432617	1	37	-2.0	-108.01	342.35	7.48	-100.53
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000432618	0	35	-2.0	-105.66	336.40	6.51	-99.15
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000432619	1	34	-2.0	-93.64	324.39	6.84	-86.80
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000432620	0	31	-2.0	-109.67	312.04	6.33	-103.34
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000432621	0	30	-2.0	-103.78	304.59	4.42	-99.36
CC1=CC(Br)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000432622	0	28	-2.0	-94.03	308.53	5.27	-88.76
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(Br)=C2)C=C(C(=O)[O-])O1	REAL300000432623	0	34	-2.0	-100.21	330.51	6.29	-93.92
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC(C)=C1O	REAL300000432624	1	42	-2.0	-89.65	373.30	2.23	-87.42
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(O)C(C)=C1	REAL300000432626	0	43	-2.0	-107.63	376.47	4.73	-102.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(O)C(C)=C1	REAL300000432629	0	39	-2.0	-114.65	344.99	3.44	-111.21
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC(C)=C1O	REAL300000432632	0	35	-2.0	-104.46	329.92	4.22	-100.24
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=CC(C)=C1O	REAL300000432634	0	35	-2.0	-100.06	342.41	4.59	-95.47
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(C)=C1O	REAL300000432636	0	35	-2.0	-106.23	322.32	3.71	-102.52
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(C)=C1O	REAL300000432638	0	32	-2.0	-103.08	310.03	2.66	-100.42
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(C)=C1O	REAL300000432641	1	36	-2.0	-107.30	323.50	3.00	-104.30
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2)=C1	REAL300000432643	0	35	-2.0	-98.83	325.98	3.33	-95.50
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(C)=C1O	REAL300000432645	1	32	-2.0	-104.59	308.50	2.68	-101.91
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(O)C(C)=C1	REAL300000432651	0	42	-2.0	-115.19	367.28	4.21	-110.98
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC(C)=C1O	REAL300000432652	0	38	-2.0	-111.38	351.77	4.08	-107.30
CC1=C(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000432654	0	35	-2.0	-102.72	319.85	2.78	-99.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2)=C1	REAL300000432656	0	39	-2.0	-109.28	345.81	2.73	-106.55
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=CC(C)=C1O	REAL300000432658	1	35	-2.0	-97.87	344.52	4.49	-93.38
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC(C)=C1O	REAL300000432659	1	35	-2.0	-101.06	334.44	4.23	-96.83
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC(C)=C1O	REAL300000432663	1	38	-2.0	-100.39	337.56	4.46	-95.93
CC1=C(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000432667	1	35	-2.0	-106.16	326.54	3.53	-102.63
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=CC(C)=C1O	REAL300000432668	0	35	-2.0	-98.16	345.07	4.66	-93.50
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC(C)=C1O	REAL300000432669	1	35	-2.0	-93.46	329.91	4.20	-89.26
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(C)=C1O	REAL300000432671	0	32	-2.0	-97.63	309.12	2.77	-94.86
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C)=C1O	REAL300000432672	1	35	-2.0	-99.67	323.25	3.71	-95.96
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC(C)=C1O	REAL300000432673	0	38	-2.0	-107.69	342.59	4.34	-103.35
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000432674	0	39	-2.0	-98.17	357.16	4.26	-93.91
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(C)=C1O	REAL300000432675	0	35	-2.0	-95.38	322.31	3.72	-91.66
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC(C)=C1O	REAL300000432678	1	43	-2.0	-92.41	380.59	5.06	-87.35
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC(C)=C1O	REAL300000432679	1	35	-2.0	-97.18	327.66	3.74	-93.44
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC(C)=C1O	REAL300000432680	1	37	-2.0	-93.28	345.04	4.31	-88.97
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(C)=C1O	REAL300000432681	0	36	-2.0	-107.95	325.75	2.15	-105.80
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(C)=C1O	REAL300000432681	1	36	-2.0	-108.79	326.56	1.35	-107.44
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC(C)=C1O	REAL300000432688	1	37	-2.0	-106.34	343.42	4.73	-101.61
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC(C)=C1O	REAL300000432689	0	35	-2.0	-97.67	328.60	3.77	-93.90
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2)C=C1C(=O)[O-]	REAL300000432691	0	38	-2.0	-107.39	338.32	4.24	-103.15
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC(C)=C1O	REAL300000432692	0	38	-2.0	-106.33	348.63	4.78	-101.55
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2)=C1	REAL300000432693	0	38	-2.0	-113.15	341.86	4.34	-108.81
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2)C=C1C(=O)[O-]	REAL300000432699	1	39	-2.0	-108.04	344.80	3.85	-104.19
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CC(C)=C1O	REAL300000432701	0	35	-2.0	-96.30	342.43	4.20	-92.10
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC(C)=C1O	REAL300000432703	1	44	-2.0	-105.95	366.28	5.77	-100.18
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2)C=C1C(=O)[O-]	REAL300000432704	1	39	-2.0	-110.07	357.16	4.27	-105.80
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC(C)=C1O	REAL300000432706	0	40	-2.0	-100.42	360.10	5.84	-94.58
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC(C)=C1O	REAL300000432708	0	37	-2.0	-115.17	340.58	5.50	-109.67
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(C)=C1O	REAL300000432709	0	35	-2.0	-112.27	320.51	3.68	-108.59
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(C)=C1O	REAL300000432712	0	34	-2.0	-106.14	313.07	1.76	-104.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=C(O)C(C)=C1	REAL300000432713	0	39	-2.0	-100.38	345.05	3.44	-96.94
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(C)=C1O	REAL300000432714	0	32	-2.0	-96.45	316.99	2.62	-93.83
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000432717	0	38	-2.0	-102.69	338.97	3.63	-99.06
O=C([O-])C1=CC(S(=O)(=O)N2CC3(CC3)C3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000432746	0	39	-2.0	-111.80	353.41	8.85	-102.95
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC3(CC3)C3=CC=CC=C32)=C1	REAL300000432773	0	37	-2.0	-111.67	323.42	6.96	-104.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)=CC=C1F	REAL300000432810	1	31	-2.0	-95.80	325.99	6.57	-89.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)C=C1	REAL300000432811	1	31	-2.0	-86.26	321.43	6.55	-79.71
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)=C1	REAL300000432812	1	31	-2.0	-97.96	321.46	6.53	-91.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000432813	1	34	-2.0	-98.98	337.47	7.07	-91.91
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)=C1	REAL300000432814	0	31	-2.0	-95.13	326.60	6.57	-88.56
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)=C1	REAL300000432815	0	28	-2.0	-92.68	314.31	5.53	-87.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300000432816	1	34	-2.0	-99.11	336.56	7.30	-91.81
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000432817	0	32	-2.0	-96.47	328.10	5.88	-90.59
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)=C1	REAL300000432818	0	31	-2.0	-88.94	330.23	6.19	-82.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)=CS1	REAL300000432819	0	28	-2.0	-94.06	313.11	5.58	-88.48
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000432820	0	31	-2.0	-92.62	324.13	5.66	-86.96
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000432821	0	31	-2.0	-95.86	329.72	6.41	-89.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)C=C1F	REAL300000432822	1	31	-2.0	-86.00	325.98	6.58	-79.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)S1	REAL300000432823	0	28	-2.0	-87.80	313.39	5.64	-82.16
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)=C1	REAL300000432824	1	31	-2.0	-89.16	327.86	6.60	-82.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)C(F)=C1	REAL300000432825	0	31	-2.0	-85.56	326.57	6.59	-78.97
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)=C1	REAL300000432826	0	32	-2.0	-98.11	330.84	4.22	-93.89
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(Cl)=CC(C(F)(F)F)=C2)=C1	REAL300000432826	1	32	-2.0	-99.55	330.03	5.00	-94.55
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)C=C1	REAL300000432827	1	34	-2.0	-89.60	343.62	7.33	-82.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300000432828	1	34	-2.0	-94.29	331.16	7.17	-87.12
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300000432829	1	34	-2.0	-86.72	336.54	7.29	-79.43
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000432830	0	35	-2.0	-97.75	349.48	6.75	-91.00
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000432831	1	34	-2.0	-86.30	337.47	7.08	-79.22
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)=C1F	REAL300000432832	0	31	-2.0	-101.84	324.79	6.55	-95.29
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)=C1	REAL300000432833	0	30	-2.0	-95.22	318.11	4.57	-90.65
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000432834	0	34	-2.0	-92.58	343.26	6.51	-86.07
NC1=NC(Cl)=CC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000432860	0	33	-2.0	-106.22	340.69	3.74	-102.48
NC1=NC(Cl)=CC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000432882	0	31	-2.0	-99.77	311.39	2.19	-97.58
NC1=NC(Cl)=CC(N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000432904	1	32	-2.0	-109.57	332.50	5.32	-104.25
NC1=NC(Cl)=CC(N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000432910	1	27	-2.0	-91.17	308.89	2.44	-88.73
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)S1	REAL300000432914	0	43	-2.0	-86.03	396.44	3.71	-82.32
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000432915	0	36	-2.0	-101.71	344.51	5.16	-96.55
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)S1	REAL300000432916	0	44	-2.0	-102.84	399.60	6.22	-96.62
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300000432917	0	36	-2.0	-91.75	339.96	5.13	-86.62
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)S1	REAL300000432918	0	36	-2.0	-103.91	339.98	5.12	-98.79
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)S1	REAL300000432919	0	40	-2.0	-109.10	368.12	4.93	-104.17
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)S1	REAL300000432920	0	40	-2.0	-91.75	371.43	6.42	-85.33
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000432921	0	39	-2.0	-105.12	356.00	5.66	-99.46
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)S1	REAL300000432922	0	36	-2.0	-99.62	353.05	5.70	-93.92
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000432923	0	36	-2.0	-100.03	352.48	5.52	-94.51
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)S1	REAL300000432924	0	42	-2.0	-106.51	373.08	6.45	-100.06
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000432925	0	36	-2.0	-101.01	345.46	5.19	-95.82
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)S1	REAL300000432926	0	42	-2.0	-90.98	383.55	6.71	-84.27
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)S1	REAL300000432927	0	33	-2.0	-98.21	333.16	4.14	-94.07
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)S1	REAL300000432928	0	39	-2.0	-104.85	355.41	5.90	-98.95
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)S1	REAL300000432929	0	40	-2.0	-90.41	371.05	5.40	-85.01
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)S1	REAL300000432930	0	37	-2.0	-102.13	346.62	4.47	-97.66
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)S1	REAL300000432931	0	40	-2.0	-105.16	364.18	3.94	-101.22
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)S1	REAL300000432932	0	36	-2.0	-94.37	349.11	4.81	-89.56
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)S1	REAL300000432933	0	42	-2.0	-106.03	371.44	6.45	-99.58
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)S1	REAL300000432934	0	33	-2.0	-99.82	331.63	4.16	-95.66
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)S1	REAL300000432935	0	40	-2.0	-109.96	367.26	5.19	-104.77
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)S1	REAL300000432936	0	46	-2.0	-108.43	395.22	7.75	-100.68
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)S1	REAL300000432937	0	45	-2.0	-106.91	393.88	7.13	-99.78
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)S1	REAL300000432938	0	42	-2.0	-103.46	368.04	6.77	-96.69
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)S1	REAL300000432939	0	43	-2.0	-109.72	390.41	5.70	-104.02
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)S1	REAL300000432940	0	38	-3.0	-177.61	368.38	5.69	-171.92
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)S1	REAL300000432941	0	43	-2.0	-108.68	384.22	7.02	-101.66
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)S1	REAL300000432942	0	36	-2.0	-97.81	342.98	4.26	-93.55
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000432943	0	42	-2.0	-108.57	382.14	4.90	-103.67
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)S1	REAL300000432944	0	40	-2.0	-105.13	368.94	4.22	-100.91
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)S1	REAL300000432945	0	44	-2.0	-90.96	392.89	5.72	-85.24
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)S1	REAL300000432946	0	36	-2.0	-96.48	357.57	5.72	-90.76
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)S1	REAL300000432947	0	43	-2.0	-90.81	391.12	6.12	-84.69
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)S1	REAL300000432948	0	39	-2.0	-95.52	360.69	5.94	-89.58
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)S1	REAL300000432949	0	40	-2.0	-90.09	377.27	5.47	-84.62
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)S1	REAL300000432950	0	43	-2.0	-110.34	389.11	6.10	-104.24
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)S1	REAL300000432951	0	36	-2.0	-101.13	349.67	5.01	-96.12
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)S1	REAL300000432952	0	36	-2.0	-89.50	353.03	5.69	-83.81
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000432953	0	36	-2.0	-91.41	344.49	5.17	-86.24
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)S1	REAL300000432954	0	33	-2.0	-93.29	332.24	4.24	-89.05
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000432955	0	36	-2.0	-95.04	346.40	5.18	-89.86
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)S1	REAL300000432956	0	39	-2.0	-102.32	365.72	5.82	-96.50
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000432957	0	36	-2.0	-91.14	345.44	5.20	-85.94
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000432958	0	36	-2.0	-89.45	352.46	5.53	-83.92
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)S1	REAL300000432959	0	39	-2.0	-97.19	369.42	6.33	-90.86
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)S1	REAL300000432960	0	44	-2.0	-88.86	403.71	6.54	-82.32
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)S1	REAL300000432961	0	36	-2.0	-93.26	350.80	5.22	-88.04
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)S1	REAL300000432962	0	38	-2.0	-89.41	368.17	5.80	-83.61
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)S1	REAL300000432963	0	37	-2.0	-103.68	349.68	2.86	-100.82
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)S1	REAL300000432964	0	39	-2.0	-95.15	362.17	5.90	-89.25
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)S1	REAL300000432965	0	36	-2.0	-94.64	360.68	5.66	-88.98
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000432966	0	39	-2.0	-100.38	350.02	5.75	-94.63
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)S1	REAL300000432967	0	39	-2.0	-102.95	364.81	5.78	-97.17
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000432968	0	39	-2.0	-92.01	355.39	5.90	-86.11
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)S1	REAL300000432969	0	42	-2.0	-106.71	373.44	6.20	-100.51
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)S1	REAL300000432970	0	38	-2.0	-102.81	366.54	6.21	-96.60
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)S1	REAL300000432971	0	36	-2.0	-92.81	351.71	5.25	-87.56
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000432972	0	42	-2.0	-104.52	374.46	6.50	-98.02
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)S1	REAL300000432973	0	39	-2.0	-102.03	361.45	5.73	-96.30
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)S1	REAL300000432974	0	39	-2.0	-101.22	371.76	6.26	-94.96
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)S1	REAL300000432975	0	39	-2.0	-108.89	365.01	5.82	-103.07
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)S1	REAL300000432976	0	42	-2.0	-105.77	374.22	6.31	-99.46
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)S1	REAL300000432977	0	43	-2.0	-106.44	390.44	5.26	-101.18
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)S1	REAL300000432978	0	39	-2.0	-93.68	366.24	6.31	-87.37
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000432979	0	39	-2.0	-101.67	371.20	6.08	-95.59
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)S1	REAL300000432980	0	40	-2.0	-103.50	367.93	5.33	-98.17
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)S1	REAL300000432981	0	48	-2.0	-103.39	404.89	7.97	-95.42
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)S1	REAL300000432982	0	39	-2.0	-97.23	369.84	6.09	-91.14
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000432983	0	39	-2.0	-91.76	355.98	5.67	-86.09
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300000432984	0	41	-2.0	-96.35	383.23	7.33	-89.02
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)S1	REAL300000432985	0	39	-2.0	-102.43	359.93	5.94	-96.49
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])S1	REAL300000432986	0	38	-2.0	-111.49	363.73	6.99	-104.50
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000432987	0	36	-2.0	-108.21	343.62	5.15	-103.06
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)S1	REAL300000432988	0	39	-2.0	-95.59	361.14	5.70	-89.89
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)S1	REAL300000432989	0	42	-2.0	-112.00	381.01	7.25	-104.75
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)S1	REAL300000432990	0	35	-2.0	-101.62	336.18	3.25	-98.37
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)S1	REAL300000432991	0	40	-2.0	-95.74	368.18	4.93	-90.81
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)S1	REAL300000432992	0	33	-2.0	-91.78	340.08	4.10	-87.68
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)S1	REAL300000432993	0	43	-2.0	-98.31	386.10	7.00	-91.31
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)S1	REAL300000432994	0	43	-2.0	-101.14	384.07	7.00	-94.14
CCCC1=NC(C)=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)S1	REAL300000432995	0	39	-2.0	-97.68	362.10	5.11	-92.57
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000432996	0	42	-2.0	-89.58	376.79	5.71	-83.87
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000432997	1	35	-2.0	-106.59	325.53	7.09	-99.50
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1SC	REAL300000432998	0	43	-2.0	-105.09	380.06	8.21	-96.88
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000432999	1	35	-2.0	-97.36	320.31	7.13	-90.23
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000433000	1	35	-2.0	-111.17	321.00	7.05	-104.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1SC	REAL300000433001	0	39	-2.0	-112.82	348.59	6.93	-105.89
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000433002	1	39	-2.0	-95.60	351.78	8.41	-87.19
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000433003	1	38	-2.0	-109.90	336.47	7.64	-102.26
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000433004	0	35	-2.0	-103.94	331.37	7.62	-96.32
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000433005	1	35	-2.0	-105.07	333.50	7.45	-97.62
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000433006	1	41	-2.0	-112.88	350.85	8.32	-104.56
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000433007	0	35	-2.0	-105.95	325.92	7.18	-98.77
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000433008	1	41	-2.0	-94.86	363.90	8.70	-86.16
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000433009	0	32	-2.0	-103.81	313.64	6.14	-97.67
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000433010	1	38	-2.0	-108.40	334.87	7.86	-100.54
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000433011	1	39	-2.0	-94.51	351.40	7.40	-87.11
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000433012	0	36	-2.0	-109.18	327.46	6.45	-102.73
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000433013	1	39	-2.0	-108.77	343.57	5.90	-102.87
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000433014	0	35	-2.0	-101.07	329.59	6.81	-94.26
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000433015	1	41	-2.0	-108.94	351.49	8.42	-100.52
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000433016	0	32	-2.0	-105.05	312.65	6.11	-98.94
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2SC)=CC(C(=O)[O-])=C1OC	REAL300000433017	1	43	-2.0	-110.44	379.33	6.87	-103.57
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2SC)C=C1C(=O)[O-]	REAL300000433018	1	39	-2.0	-117.00	348.10	7.18	-109.82
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000433019	1	45	-2.0	-114.88	373.45	9.64	-105.24
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000433020	1	44	-2.0	-112.19	371.54	8.97	-103.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1SC	REAL300000433021	1	41	-2.0	-105.87	343.89	8.61	-97.26
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1SC	REAL300000433022	0	42	-2.0	-113.33	370.87	7.69	-105.64
CSC1=CC=CC(C)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000433023	0	38	-2.0	-110.79	352.34	7.42	-103.37
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000433023	1	37	-3.0	-189.17	349.40	7.63	-181.54
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000433024	1	42	-2.0	-112.65	364.33	9.01	-103.64
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000433025	0	35	-2.0	-102.46	323.37	6.28	-96.18
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000433026	1	41	-2.0	-116.10	362.48	6.89	-109.21
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000433027	0	39	-2.0	-110.75	349.40	6.22	-104.53
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000433028	1	43	-2.0	-95.05	373.91	7.66	-87.39
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000433029	0	35	-2.0	-100.47	337.93	7.72	-92.75
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000433030	1	42	-2.0	-95.06	371.96	8.10	-86.96
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000433031	0	38	-2.0	-101.82	339.47	7.82	-94.00
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000433032	1	39	-2.0	-94.70	358.29	7.40	-87.30
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2SC)C=C1C(=O)[O-]	REAL300000433033	1	42	-2.0	-117.88	370.13	8.04	-109.84
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000433034	0	35	-2.0	-105.25	329.03	7.01	-98.24
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000433035	0	35	-2.0	-94.75	331.32	7.61	-87.14
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000433036	1	35	-2.0	-96.70	325.35	7.15	-89.55
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000433037	0	32	-2.0	-99.71	312.72	6.25	-93.46
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000433038	0	35	-2.0	-101.89	327.23	7.18	-94.71
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000433039	0	38	-2.0	-107.63	346.19	7.81	-99.82
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000433040	0	35	-2.0	-97.14	325.91	7.19	-89.95
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000433041	1	35	-2.0	-94.78	333.32	7.51	-87.27
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000433042	1	38	-2.0	-103.49	348.21	8.21	-95.28
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000433043	0	43	-2.0	-92.27	384.55	8.52	-83.75
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000433044	0	35	-2.0	-98.65	331.82	7.16	-91.49
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000433045	0	37	-2.0	-94.90	349.19	7.72	-87.18
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000433046	0	36	-2.0	-106.90	330.15	4.84	-102.06
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000433047	1	38	-2.0	-100.15	342.50	7.89	-92.26
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000433048	1	35	-2.0	-100.16	341.70	7.59	-92.57
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000433049	1	38	-2.0	-106.30	330.12	7.73	-98.57
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000433050	1	38	-2.0	-107.81	345.64	7.76	-100.05
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000433051	1	38	-2.0	-96.73	334.83	7.86	-88.87
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000433052	1	41	-2.0	-115.60	357.95	8.32	-107.28
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000433053	0	37	-2.0	-106.93	347.41	8.20	-98.73
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000433054	0	35	-2.0	-98.33	332.20	7.24	-91.09
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000433055	1	41	-2.0	-110.75	354.48	8.48	-102.27
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000433056	0	38	-2.0	-109.83	345.53	7.82	-102.01
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000433057	0	38	-2.0	-106.00	350.15	8.20	-97.80
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000433058	0	38	-2.0	-115.75	345.48	7.81	-107.94
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2SC)C=C1C(=O)[O-]	REAL300000433059	1	41	-2.0	-110.68	355.12	8.30	-102.38
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2SC)C=C1CC(=O)[O-]	REAL300000433060	1	42	-2.0	-113.48	371.46	7.19	-106.29
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000433061	0	38	-2.0	-99.80	349.28	8.29	-91.51
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000433062	1	38	-2.0	-106.64	352.03	8.08	-98.56
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2SC)C=C1C(=O)[O-]	REAL300000433063	0	39	-2.0	-110.50	348.83	7.32	-103.18
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000433064	1	38	-2.0	-104.40	354.83	8.13	-96.27
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000433065	0	44	-2.0	-104.27	367.38	9.00	-95.27
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000433066	1	38	-2.0	-97.76	336.99	7.68	-90.08
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000433067	0	40	-2.0	-100.36	357.64	9.09	-91.27
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000433068	1	38	-2.0	-105.90	339.34	7.90	-98.00
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000433069	0	37	-2.0	-116.32	338.32	8.76	-107.56
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000433070	0	35	-2.0	-112.93	324.48	7.14	-105.79
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000433071	0	38	-2.0	-102.82	346.07	7.72	-95.10
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000433072	0	41	-2.0	-117.09	361.30	9.24	-107.85
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000433073	0	34	-2.0	-108.61	316.66	5.25	-103.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1SC	REAL300000433074	0	39	-2.0	-100.35	348.65	6.92	-93.43
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000433075	0	32	-2.0	-97.55	320.58	6.10	-91.45
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000433076	1	42	-2.0	-103.75	366.43	9.00	-94.75
CSC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000433077	1	42	-2.0	-105.48	366.44	8.95	-96.53
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2SC)C=C(C(=O)[O-])O1	REAL300000433078	0	38	-2.0	-101.83	342.49	7.11	-94.72
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NNC2=C(F)C=CC=C2Cl)=C1	REAL300000433101	0	33	-2.0	-110.14	336.36	5.60	-104.54
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NNC2=C(F)C=CC=C2Cl)=C1	REAL300000433119	0	31	-2.0	-110.19	311.33	3.63	-106.56
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC2=C(F)C=CC=C2Cl)=C1	REAL300000433127	1	30	-2.0	-95.78	315.31	5.43	-90.35
O=C([O-])C1=CC(S(=O)(=O)[N-]NC2=C(F)C=CC=C2Cl)=C(Cl)O1	REAL300000433146	1	27	-2.0	-99.38	306.01	4.23	-95.15
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C(C)C(C)=C1O	REAL300000433150	1	45	-2.0	-90.08	388.79	2.86	-87.22
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(O)C(C)=C1C	REAL300000433152	0	46	-2.0	-107.67	391.96	5.37	-102.30
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(O)C(C)=C1C	REAL300000433155	0	42	-2.0	-114.80	360.48	4.07	-110.73
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C(C)C(C)=C1O	REAL300000433158	0	38	-2.0	-104.71	345.40	4.84	-99.87
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(C)C(C)=C1O	REAL300000433161	0	38	-2.0	-106.56	337.81	4.33	-102.23
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(C)C(C)=C1O	REAL300000433163	0	35	-2.0	-103.08	326.24	3.31	-99.77
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C)C(C)=C1O	REAL300000433166	1	39	-2.0	-107.21	339.70	3.64	-103.57
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2C)=C1	REAL300000433168	0	38	-2.0	-99.59	341.48	3.96	-95.63
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(C)C(C)=C1O	REAL300000433170	1	35	-2.0	-105.13	323.99	3.30	-101.83
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(O)C(C)=C1C	REAL300000433176	0	45	-2.0	-115.03	382.77	4.84	-110.19
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C(C)C(C)=C1O	REAL300000433177	0	41	-2.0	-112.26	360.00	4.79	-107.47
CC1=C(S(=O)(=O)[N-]C2=C(C)C(C)=C(O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000433179	0	38	-2.0	-103.51	335.35	3.41	-100.10
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2C)=C1	REAL300000433181	0	42	-2.0	-110.00	361.96	3.38	-106.62
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C(C)C(C)=C1O	REAL300000433183	1	38	-2.0	-101.24	349.93	4.86	-96.38
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C(C)C(C)=C1O	REAL300000433186	1	41	-2.0	-100.46	353.76	5.11	-95.35
CC1=C(S(=O)(=O)[N-]C2=C(C)C(C)=C(O)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000433189	1	38	-2.0	-106.51	340.96	4.16	-102.35
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C(C)C(C)=C1O	REAL300000433190	1	38	-2.0	-93.95	345.38	4.84	-89.11
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(C)C(C)=C1O	REAL300000433192	0	35	-2.0	-98.32	325.31	3.42	-94.90
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(C)C(C)=C1O	REAL300000433193	1	38	-2.0	-100.24	338.74	4.34	-95.90
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C(C)C(C)=C1O	REAL300000433194	0	41	-2.0	-108.03	358.08	4.97	-103.06
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000433195	1	42	-2.0	-98.49	373.35	4.92	-93.57
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(C)C(C)=C1O	REAL300000433196	0	38	-2.0	-96.04	337.80	4.34	-91.70
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C(C)C(C)=C1O	REAL300000433199	1	46	-2.0	-92.90	396.07	5.68	-87.22
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C(C)C(C)=C1O	REAL300000433201	1	40	-2.0	-94.31	360.53	4.94	-89.37
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C(C)C(C)=C1O	REAL300000433202	0	39	-2.0	-107.75	336.87	2.87	-104.88
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C(C)C(C)=C1O	REAL300000433202	1	39	-2.0	-109.10	342.76	1.99	-107.11
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C(C)C(C)=C1O	REAL300000433209	1	40	-2.0	-107.60	358.90	5.36	-102.24
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C(C)C(C)=C1O	REAL300000433210	0	38	-2.0	-98.14	344.07	4.40	-93.74
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2C)C=C1C(=O)[O-]	REAL300000433212	0	41	-2.0	-108.83	358.36	4.99	-103.84
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C(C)C(C)=C1O	REAL300000433213	0	41	-2.0	-106.49	364.12	5.41	-101.08
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2C)=C1	REAL300000433214	0	41	-2.0	-114.08	358.09	4.98	-109.10
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2C)C=C1C(=O)[O-]	REAL300000433219	1	42	-2.0	-108.58	360.36	4.48	-104.10
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C(C)C(C)=C1O	REAL300000433222	1	47	-2.0	-105.58	382.48	6.43	-99.15
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2C)C=C1C(=O)[O-]	REAL300000433223	1	42	-2.0	-110.28	372.66	4.90	-105.38
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C(C)C(C)=C1O	REAL300000433225	0	43	-2.0	-101.26	375.59	6.46	-94.80
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C(C)C(C)=C1O	REAL300000433227	0	40	-2.0	-116.24	356.79	6.15	-110.09
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(C)C(C)=C1O	REAL300000433228	0	38	-2.0	-113.21	336.68	4.32	-108.89
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(C)C(C)=C1O	REAL300000433231	0	37	-2.0	-107.18	329.25	2.40	-104.78
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=C(O)C(C)=C1C	REAL300000433232	1	42	-2.0	-100.91	360.54	4.07	-96.84
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C(C)C(C)=C1O	REAL300000433233	0	35	-2.0	-97.12	332.45	3.25	-93.87
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=C(O)C(C)=C2C)C=C(C(=O)[O-])O1	REAL300000433236	0	41	-2.0	-103.35	354.47	4.26	-99.09
CN1CC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000433237	1	38	-2.0	-102.63	344.65	4.20	-98.43
CN1CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000433239	1	38	-2.0	-104.88	340.11	4.17	-100.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)CC2=C1	REAL300000433240	0	42	-2.0	-110.62	368.25	3.96	-106.66
CN1CC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C2NC1=O	REAL300000433241	1	42	-2.0	-92.82	371.56	5.47	-87.35
CN1CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C2NC1=O	REAL300000433243	0	38	-2.0	-101.11	353.18	4.73	-96.38
CN1CC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000433244	1	38	-2.0	-100.89	352.63	4.56	-96.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)CC3=C2)=C1C	REAL300000433245	1	44	-2.0	-108.59	372.78	5.52	-103.07
CN1CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2NC1=O	REAL300000433246	0	38	-2.0	-102.34	345.59	4.22	-98.12
CN1CC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C2NC1=O	REAL300000433247	1	44	-2.0	-92.04	383.69	5.76	-86.28
CN1CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2NC1=O	REAL300000433248	0	35	-2.0	-99.45	333.30	3.19	-96.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)CC2=C1	REAL300000433249	1	41	-2.0	-106.54	355.55	4.95	-101.59
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)CC3=C2)C=C1C(=O)[O-]	REAL300000433251	1	39	-2.0	-103.37	346.76	3.52	-99.85
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)CC3=C2)=C1	REAL300000433253	0	38	-2.0	-95.69	349.22	3.86	-91.83
CN1CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000433255	0	35	-2.0	-100.73	331.76	3.20	-97.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)CC2=C1	REAL300000433257	1	44	-2.0	-105.17	370.25	5.89	-99.28
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)CC3=C2)C=C(C(=O)[O-])O1	REAL300000433258	0	38	-2.0	-99.77	343.12	3.30	-96.47
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)CC3=C2)=C1	REAL300000433259	0	42	-2.0	-105.77	369.09	3.26	-102.51
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)CC2=C1	REAL300000433260	1	41	-2.0	-97.31	360.82	4.99	-92.32
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)CC3=C2)C=C(C(=O)[O-])S1	REAL300000433261	1	38	-2.0	-103.02	348.71	4.05	-98.97
CN1CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C2NC1=O	REAL300000433262	0	38	-2.0	-90.67	353.16	4.72	-85.95
CN1CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2NC1=O	REAL300000433263	1	38	-2.0	-92.74	344.63	4.21	-88.53
CN1CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2NC1=O	REAL300000433264	0	35	-2.0	-94.60	332.38	3.28	-91.32
CN1CC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000433265	1	38	-2.0	-96.02	346.52	4.24	-91.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)CC3=C2)=C1F	REAL300000433266	0	41	-2.0	-103.70	365.86	4.87	-98.83
CN1CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2NC1=O	REAL300000433267	0	38	-2.0	-92.17	345.57	4.23	-87.94
CN1CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C2NC1=O	REAL300000433268	1	38	-2.0	-90.68	352.61	4.57	-86.11
CN1CC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000433269	1	38	-2.0	-94.42	350.94	4.26	-90.16
CN1CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2NC1=O	REAL300000433270	0	39	-2.0	-105.63	349.81	1.89	-103.74
CN1CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2NC1=O	REAL300000433270	1	39	-2.0	-105.87	348.99	2.69	-103.18
CN1CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2NC1=O	REAL300000433271	1	41	-2.0	-96.60	362.30	4.96	-91.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)CC2=C1	REAL300000433272	1	41	-2.0	-100.75	350.18	4.80	-95.95
CN1CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C2NC1=O	REAL300000433276	0	38	-2.0	-94.09	351.87	4.30	-89.79
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)CC3=C2)C=C1C(=O)[O-]	REAL300000433278	0	41	-2.0	-104.61	365.43	4.87	-99.74
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)CC3=C2)=C1	REAL300000433279	0	41	-2.0	-108.90	365.14	4.85	-104.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)CC3=C2)C=C1C(=O)[O-]	REAL300000433281	1	42	-2.0	-104.62	368.13	4.37	-100.25
CN1CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2NC1=O	REAL300000433284	0	38	-2.0	-108.20	343.77	4.21	-103.99
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)CC3=C2)C=C1C(=O)[O-]	REAL300000433285	1	41	-2.0	-97.62	365.05	4.84	-92.78
CN1CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2NC1=O	REAL300000433286	0	37	-2.0	-102.47	336.33	2.27	-100.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)CC2=C1	REAL300000433287	0	42	-2.0	-97.11	368.31	3.97	-93.14
CN1CC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000433288	0	35	-2.0	-93.45	340.26	3.15	-90.30
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)CC3=C2)C=C(C(=O)[O-])O1	REAL300000433289	0	41	-2.0	-99.77	362.24	4.15	-95.62
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000433290	1	37	-2.0	-107.74	340.55	6.87	-100.87
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C2O1	REAL300000433291	1	37	-2.0	-97.83	336.01	6.84	-90.99
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000433292	1	37	-2.0	-110.37	336.02	6.84	-103.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)=C(C)C2=C1	REAL300000433293	0	41	-2.0	-115.69	364.16	6.63	-109.06
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C2O1	REAL300000433294	1	41	-2.0	-97.33	367.47	8.13	-89.20
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000433295	1	40	-2.0	-111.53	352.04	7.37	-104.16
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C2O1	REAL300000433296	0	37	-2.0	-105.80	349.09	7.41	-98.39
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000433297	1	37	-2.0	-106.19	348.53	7.23	-98.96
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=C(C)C(C)=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000433298	1	43	-2.0	-113.17	368.70	8.18	-104.99
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2O1	REAL300000433299	0	37	-2.0	-107.39	341.50	6.90	-100.49
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C2O1	REAL300000433300	1	43	-2.0	-96.57	379.59	8.43	-88.14
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2O1	REAL300000433301	0	34	-2.0	-104.51	329.21	5.85	-98.66
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C2O1	REAL300000433302	1	40	-2.0	-111.03	351.46	7.63	-103.40
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000433304	0	38	-2.0	-108.74	342.67	6.18	-102.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OC(C)=C(C)C3=C2)=C1	REAL300000433306	0	37	-2.0	-100.60	345.14	6.52	-94.08
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2O1	REAL300000433308	0	34	-2.0	-106.02	327.67	5.87	-100.15
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)=CC=C2O1	REAL300000433310	1	47	-2.0	-114.86	391.26	9.46	-105.40
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)=CC=C2O1	REAL300000433311	1	46	-2.0	-113.21	389.92	8.84	-104.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)=C(C)C2=C1	REAL300000433312	1	43	-2.0	-109.27	366.16	8.56	-100.71
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)=C(C)C2=C1	REAL300000433313	0	44	-2.0	-115.42	386.45	7.40	-108.02
CC1=C(C)C2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000433314	0	40	-2.0	-111.89	370.98	7.26	-104.63
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000433314	1	39	-3.0	-185.76	364.43	7.39	-178.37
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C2O1	REAL300000433315	1	44	-2.0	-115.19	380.27	8.73	-106.46
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C2O1	REAL300000433316	0	37	-2.0	-103.87	339.03	5.98	-97.89
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC=C2O1	REAL300000433317	0	41	-2.0	-111.52	365.01	5.93	-105.59
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=CC=C2O1	REAL300000433318	0	37	-2.0	-102.40	353.62	7.42	-94.98
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=CC=C2O1	REAL300000433320	1	40	-2.0	-101.48	356.73	7.65	-93.83
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=CC=C2O1	REAL300000433321	1	41	-2.0	-95.45	373.31	7.18	-88.27
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C2O1	REAL300000433323	0	37	-2.0	-107.18	345.71	6.72	-100.46
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C2O1	REAL300000433324	0	37	-2.0	-95.40	349.07	7.40	-88.00
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2O1	REAL300000433325	1	37	-2.0	-97.22	340.54	6.88	-90.34
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2O1	REAL300000433326	0	34	-2.0	-99.38	328.29	5.97	-93.41
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000433327	1	37	-2.0	-101.09	342.43	6.90	-94.19
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=C(F)C(C)=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000433328	0	40	-2.0	-108.79	361.79	7.54	-101.25
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2O1	REAL300000433329	0	37	-2.0	-97.23	341.48	6.91	-90.32
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C2O1	REAL300000433330	1	37	-2.0	-95.30	348.51	7.24	-88.06
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)=CC=C2O1	REAL300000433331	1	40	-2.0	-103.21	365.47	8.04	-95.17
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000433332	1	37	-2.0	-99.21	346.84	6.93	-92.28
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC=C2O1	REAL300000433333	0	39	-2.0	-95.17	364.21	7.51	-87.66
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2O1	REAL300000433334	0	38	-2.0	-109.80	345.73	4.55	-105.25
CC1=C(C)C2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2O1	REAL300000433334	1	38	-2.0	-108.27	344.94	5.34	-102.93
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2O1	REAL300000433335	1	40	-2.0	-101.27	358.19	7.62	-93.65
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000433336	1	37	-2.0	-100.68	356.73	7.37	-93.31
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C2O1	REAL300000433337	1	40	-2.0	-106.77	346.06	7.48	-99.29
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C(C)=C3)=CC=C2O1	REAL300000433338	1	40	-2.0	-109.14	360.86	7.49	-101.65
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C(C)=C3)=CC=C2O1	REAL300000433340	1	43	-2.0	-114.78	373.52	8.04	-106.74
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=CC=C2O1	REAL300000433341	0	39	-2.0	-108.50	362.58	7.93	-100.57
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C2O1	REAL300000433342	0	37	-2.0	-98.98	347.78	6.96	-92.02
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=C(F)C=C(C)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000433344	0	40	-2.0	-109.71	361.34	7.53	-102.18
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=C(Cl)C(C)=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000433345	0	40	-2.0	-107.60	367.76	7.97	-99.63
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC=C2O1	REAL300000433346	0	40	-2.0	-115.46	361.06	7.53	-107.93
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(C)=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000433347	1	43	-2.0	-112.29	369.96	8.02	-104.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(C)=C(C)C3=C2)C=C1CC(=O)[O-]	REAL300000433348	1	44	-2.0	-111.90	386.49	6.97	-104.93
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)=CC=C2O1	REAL300000433349	1	40	-2.0	-99.87	362.28	8.01	-91.86
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C(C)=C3)=CC=C2O1	REAL300000433350	1	40	-2.0	-107.92	367.25	7.80	-100.12
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(C)=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000433351	0	41	-2.0	-110.09	363.97	7.04	-103.05
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000433352	1	40	-2.0	-104.87	369.76	7.90	-96.97
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C2O1	REAL300000433353	1	40	-2.0	-97.96	352.03	7.38	-90.58
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=CC=C2O1	REAL300000433354	1	40	-2.0	-108.33	355.98	7.66	-100.67
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=CC=C2O1	REAL300000433355	0	39	-2.0	-117.91	359.76	8.68	-109.23
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2O1	REAL300000433356	0	37	-2.0	-114.78	339.68	6.87	-107.91
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000433357	1	40	-2.0	-103.02	360.96	7.51	-95.51
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C2O1	REAL300000433358	1	43	-2.0	-118.71	377.06	8.96	-109.75
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2O1	REAL300000433359	0	36	-2.0	-108.02	332.24	4.96	-103.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OC(C)=C(C)C2=C1	REAL300000433360	0	41	-2.0	-102.09	364.22	6.63	-95.46
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2O1	REAL300000433361	0	34	-2.0	-97.78	336.16	5.81	-91.97
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C2O1	REAL300000433362	1	44	-2.0	-104.35	380.62	8.67	-95.68
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C2O1	REAL300000433363	1	44	-2.0	-108.17	381.47	8.72	-99.45
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C)=C(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000433364	0	40	-2.0	-103.70	358.14	6.83	-96.87
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Br	REAL300000433366	1	34	-2.0	-106.86	325.07	6.96	-99.90
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Br	REAL300000433368	0	31	-2.0	-101.23	318.25	5.97	-95.26
CC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Br	REAL300000433370	1	35	-2.0	-105.17	331.71	6.30	-98.87
CC1=CC(C)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Br	REAL300000433371	1	31	-2.0	-102.55	316.72	5.99	-96.56
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(C)C(Br)=C2)C=C(C(=O)[O-])O1	REAL300000433372	0	34	-2.0	-101.20	328.08	6.09	-95.11
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Br	REAL300000433373	0	31	-2.0	-96.05	317.31	6.09	-89.96
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Br	REAL300000433374	1	37	-2.0	-98.31	347.22	7.74	-90.57
CC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Br	REAL300000433378	0	33	-2.0	-104.92	322.05	5.02	-99.90
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)C=C12	REAL300000433379	1	41	-2.0	-90.52	371.45	4.61	-85.91
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C12	REAL300000433380	1	34	-2.0	-106.94	319.52	6.05	-100.89
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=C(C)C2=C1	REAL300000433381	0	42	-2.0	-107.95	374.62	7.11	-100.84
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C12	REAL300000433382	1	34	-2.0	-96.92	314.97	6.03	-90.89
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C12	REAL300000433383	1	34	-2.0	-109.55	314.99	6.02	-103.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=C(C)C2=C1	REAL300000433384	0	38	-2.0	-114.89	343.14	5.82	-109.07
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C12	REAL300000433385	1	38	-2.0	-96.57	346.44	7.32	-89.25
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000433386	1	37	-2.0	-110.74	331.01	6.56	-104.18
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C12	REAL300000433387	0	34	-2.0	-104.94	328.06	6.60	-98.34
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C12	REAL300000433388	1	34	-2.0	-105.31	327.50	6.42	-98.89
CC1=COC2=CC=C([N-]S(=O)(=O)C3=C(C)C(C)=CC(C(=O)[O-])=C3)C=C12	REAL300000433389	1	40	-2.0	-112.33	347.67	7.37	-104.96
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C12	REAL300000433390	0	34	-2.0	-106.66	320.47	6.09	-100.57
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C12	REAL300000433391	1	40	-2.0	-95.74	358.55	7.61	-88.13
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C12	REAL300000433392	0	31	-2.0	-103.68	308.17	5.04	-98.64
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C12	REAL300000433393	1	37	-2.0	-110.12	330.43	6.81	-103.31
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C12	REAL300000433395	0	35	-2.0	-107.94	321.64	5.37	-102.57
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C12	REAL300000433397	0	34	-2.0	-99.85	324.10	5.71	-94.14
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C12	REAL300000433399	0	31	-2.0	-105.14	306.64	5.06	-100.08
COC1=CC(S(=O)(=O)[N-]C2=CC=C3OC=C(C)C3=C2)=CC(C(=O)[O-])=C1OC	REAL300000433400	1	42	-2.0	-109.94	373.32	5.83	-104.11
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)C=C12	REAL300000433402	1	44	-2.0	-114.04	370.23	8.65	-105.39
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)C=C12	REAL300000433403	1	43	-2.0	-112.41	368.89	8.03	-104.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=C(C)C2=C1	REAL300000433404	1	40	-2.0	-108.36	345.13	7.75	-100.61
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=C(C)C2=C1	REAL300000433405	0	41	-2.0	-114.62	365.42	6.58	-108.04
CC1=COC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C12	REAL300000433406	0	37	-2.0	-110.91	345.87	6.59	-104.32
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C12	REAL300000433406	1	36	-3.0	-184.92	343.40	6.59	-178.33
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C12	REAL300000433407	1	41	-2.0	-114.37	359.24	7.92	-106.45
CC1=COC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C12	REAL300000433408	0	34	-2.0	-103.14	318.00	5.17	-97.97
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)C=C12	REAL300000433409	1	40	-2.0	-114.31	357.16	5.80	-108.51
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C12	REAL300000433410	0	38	-2.0	-110.62	343.98	5.11	-105.51
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)C=C12	REAL300000433411	1	42	-2.0	-96.63	368.62	6.64	-89.99
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=C12	REAL300000433412	0	34	-2.0	-101.57	332.58	6.62	-94.95
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)C=C12	REAL300000433413	1	38	-2.0	-93.73	362.09	6.85	-86.88
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C12	REAL300000433415	1	37	-2.0	-100.64	335.70	6.84	-93.80
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=C12	REAL300000433416	1	38	-2.0	-94.68	352.29	6.37	-88.31
CC1=COC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C12	REAL300000433418	0	34	-2.0	-106.41	324.69	5.92	-100.49
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C12	REAL300000433419	0	34	-2.0	-94.58	328.04	6.58	-88.00
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C12	REAL300000433420	1	34	-2.0	-96.43	319.53	6.06	-90.37
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C12	REAL300000433421	0	31	-2.0	-98.63	307.26	5.14	-93.49
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C12	REAL300000433422	1	34	-2.0	-100.27	321.40	6.09	-94.18
CC1=COC2=CC=C([N-]S(=O)(=O)C3=C(F)C(C)=CC(C(=O)[O-])=C3)C=C12	REAL300000433423	0	37	-2.0	-108.09	340.74	6.72	-101.37
COC1=CC(S(=O)(=O)[N-]C2=CC=C3OC=C(C)C3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000433424	0	38	-2.0	-99.25	355.29	6.64	-92.61
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C12	REAL300000433425	0	34	-2.0	-96.49	320.46	6.09	-90.40
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C12	REAL300000433426	1	34	-2.0	-94.51	327.50	6.43	-88.08
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)C=C12	REAL300000433427	1	37	-2.0	-102.33	344.44	7.24	-95.09
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)C=C12	REAL300000433428	1	42	-2.0	-93.27	378.72	7.43	-85.84
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C12	REAL300000433429	1	34	-2.0	-98.45	325.83	6.12	-92.33
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C12	REAL300000433430	0	36	-2.0	-94.46	343.19	6.69	-87.77
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C12	REAL300000433431	0	35	-2.0	-109.01	324.71	3.72	-105.29
CC1=COC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C12	REAL300000433431	1	35	-2.0	-107.52	323.91	4.54	-102.98
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C12	REAL300000433432	1	37	-2.0	-100.48	337.16	6.81	-93.67
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=C12	REAL300000433433	1	34	-2.0	-99.86	335.71	6.55	-93.31
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C12	REAL300000433434	1	37	-2.0	-105.83	325.06	6.66	-99.17
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C(C)=C3)C=C12	REAL300000433435	1	37	-2.0	-108.23	339.83	6.67	-101.56
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C(C)=C3)C=C12	REAL300000433437	1	40	-2.0	-113.82	352.49	7.22	-106.60
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=C12	REAL300000433438	0	36	-2.0	-107.75	341.55	7.12	-100.63
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C12	REAL300000433439	0	34	-2.0	-98.24	326.75	6.15	-92.09
CC1=COC2=CC=C([N-]S(=O)(=O)C3=C(F)C=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000433441	0	37	-2.0	-108.96	340.31	6.72	-102.24
CC1=COC2=CC=C([N-]S(=O)(=O)C3=C(Cl)C(C)=CC(C(=O)[O-])=C3)C=C12	REAL300000433442	0	37	-2.0	-106.80	346.77	7.16	-99.64
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C12	REAL300000433443	0	37	-2.0	-114.69	340.03	6.71	-107.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000433444	1	40	-2.0	-111.52	348.96	7.21	-104.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=C(C)C3=C2)C=C1CC(=O)[O-]	REAL300000433445	1	41	-2.0	-112.20	365.47	6.15	-106.05
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)C=C12	REAL300000433446	1	37	-2.0	-99.02	341.25	7.20	-91.82
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)C=C12	REAL300000433447	1	37	-2.0	-93.49	345.12	6.83	-86.66
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C(C)=C3)C=C12	REAL300000433448	1	37	-2.0	-107.14	346.22	6.98	-100.16
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000433449	0	38	-2.0	-109.19	343.01	6.23	-102.96
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000433451	1	37	-2.0	-103.98	348.73	7.09	-96.89
CC1=COC2=CC=C([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)C=C12	REAL300000433452	0	43	-2.0	-106.26	364.44	8.16	-98.10
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3OC=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000433453	0	38	-2.0	-110.48	355.32	6.65	-103.83
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C12	REAL300000433454	1	37	-2.0	-97.08	331.00	6.57	-90.51
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])C=C12	REAL300000433455	0	39	-2.0	-102.54	358.26	8.22	-94.32
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C12	REAL300000433456	1	37	-2.0	-107.74	334.53	6.86	-100.88
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=C12	REAL300000433457	0	36	-2.0	-117.06	338.74	7.87	-109.19
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C12	REAL300000433458	0	34	-2.0	-113.90	318.61	6.05	-107.85
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000433459	1	37	-2.0	-102.16	339.93	6.70	-95.46
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C12	REAL300000433460	1	40	-2.0	-117.81	356.03	8.14	-109.67
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C12	REAL300000433461	0	33	-2.0	-107.13	311.21	4.15	-102.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OC=C(C)C2=C1	REAL300000433462	0	38	-2.0	-101.33	343.20	5.82	-95.51
CC1=COC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C12	REAL300000433463	0	31	-2.0	-97.02	315.14	5.00	-92.02
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C12	REAL300000433464	1	41	-2.0	-103.53	361.12	7.91	-95.62
CC1=COC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C12	REAL300000433465	1	41	-2.0	-107.39	360.44	7.91	-99.48
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC=C(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000433466	0	37	-2.0	-102.95	337.12	6.02	-96.93
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000433467	0	41	-2.0	-108.47	350.66	5.01	-103.46
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300000433468	0	41	-2.0	-97.49	346.12	4.99	-92.50
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1O	REAL300000433469	0	41	-2.0	-111.24	346.12	4.98	-106.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C)=C1O	REAL300000433470	0	45	-2.0	-116.66	374.28	4.78	-111.88
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1O	REAL300000433471	0	45	-2.0	-96.68	377.57	6.27	-90.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C=C1C(=O)[O-]	REAL300000433472	0	44	-2.0	-110.67	362.14	5.51	-105.16
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1O	REAL300000433473	0	41	-2.0	-106.31	359.21	5.56	-100.75
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000433474	0	41	-2.0	-106.93	358.63	5.37	-101.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)=C1C	REAL300000433475	0	47	-2.0	-113.99	379.25	6.31	-107.68
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1O	REAL300000433476	0	41	-2.0	-108.10	351.61	5.04	-103.06
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1O	REAL300000433477	0	47	-2.0	-96.24	389.70	6.56	-89.68
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1O	REAL300000433478	0	38	-2.0	-105.06	339.32	3.99	-101.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C)=C1O	REAL300000433479	0	44	-2.0	-111.96	361.57	5.76	-106.20
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1O	REAL300000433480	0	45	-2.0	-95.53	377.19	5.26	-90.27
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C=C1C(=O)[O-]	REAL300000433481	0	42	-2.0	-109.33	352.77	4.32	-105.01
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C)=C1O	REAL300000433482	0	45	-2.0	-112.53	369.91	3.82	-108.71
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)=C1	REAL300000433483	0	41	-2.0	-100.13	355.23	4.66	-95.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C=C1C(=O)[O-]	REAL300000433484	0	47	-2.0	-113.31	377.58	6.30	-107.01
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1O	REAL300000433485	0	38	-2.0	-106.58	337.77	4.01	-102.57
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C=C1C(=O)[O-]	REAL300000433486	0	45	-2.0	-117.18	373.40	5.05	-112.13
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C)=C1O	REAL300000433487	0	50	-2.0	-114.32	400.04	6.99	-107.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C)=C1O	REAL300000433488	0	47	-2.0	-110.06	376.25	6.71	-103.35
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C)=C1O	REAL300000433489	0	48	-2.0	-117.35	396.57	5.53	-111.82
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000433490	0	43	-3.0	-186.69	374.53	5.54	-181.15
CC(C)(C)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000433490	1	44	-2.0	-106.29	374.54	5.49	-100.80
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1O	REAL300000433491	0	48	-2.0	-116.49	390.38	6.87	-109.62
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C=C(C(=O)[O-])O1	REAL300000433492	0	41	-2.0	-104.61	349.13	4.11	-100.50
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)=C1	REAL300000433493	0	45	-2.0	-110.64	375.04	4.07	-106.57
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)=CC=C1OCC(=O)[O-]	REAL300000433494	0	48	-2.0	-96.05	397.28	5.97	-90.08
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C)=C1O	REAL300000433495	0	44	-2.0	-102.19	366.86	5.79	-96.40
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1O	REAL300000433496	0	45	-2.0	-94.65	383.44	5.33	-89.32
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C=C1C(=O)[O-]	REAL300000433497	0	48	-2.0	-115.83	395.26	5.95	-109.88
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C=C(C(=O)[O-])S1	REAL300000433498	0	41	-2.0	-108.25	354.76	4.87	-103.38
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1O	REAL300000433499	0	41	-2.0	-94.78	359.19	5.55	-89.23
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1O	REAL300000433500	0	41	-2.0	-96.67	350.64	5.02	-91.65
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1O	REAL300000433501	0	38	-2.0	-98.98	338.38	4.11	-94.87
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1O	REAL300000433502	0	41	-2.0	-100.37	352.53	5.05	-95.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)=C1F	REAL300000433503	0	44	-2.0	-109.66	371.88	5.67	-103.99
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1O	REAL300000433504	0	41	-2.0	-96.72	351.60	5.05	-91.67
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1O	REAL300000433505	0	41	-2.0	-94.85	358.60	5.38	-89.47
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C)=C1O	REAL300000433506	0	44	-2.0	-104.04	375.59	6.18	-97.86
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000433507	0	41	-2.0	-99.63	356.94	5.07	-94.56
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1O	REAL300000433508	0	43	-2.0	-94.48	374.31	5.65	-88.83
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1O	REAL300000433509	0	42	-2.0	-110.77	355.85	2.69	-108.08
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1O	REAL300000433510	0	44	-2.0	-102.07	368.30	5.75	-96.32
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C)=C1O	REAL300000433511	0	44	-2.0	-105.54	356.16	5.61	-99.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)=CC(C(=O)[O-])=C1F	REAL300000433512	0	44	-2.0	-108.08	370.95	5.63	-102.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C)=C1O	REAL300000433513	0	44	-2.0	-97.78	361.55	5.75	-92.03
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)=CC(C(=O)[O-])=C1C	REAL300000433514	0	47	-2.0	-114.60	379.00	6.05	-108.55
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1O	REAL300000433515	0	43	-2.0	-109.09	372.68	6.08	-103.01
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1O	REAL300000433516	0	41	-2.0	-99.42	357.87	5.10	-94.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C(C)=C1C(=O)[O-]	REAL300000433517	0	47	-2.0	-109.85	380.62	6.37	-103.48
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C=C1C(=O)[O-]	REAL300000433518	0	44	-2.0	-109.35	367.61	5.58	-103.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)=C1Cl	REAL300000433519	0	44	-2.0	-108.29	377.92	6.12	-102.17
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)=C1	REAL300000433520	0	44	-2.0	-114.27	371.17	5.67	-108.60
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C=C1C(=O)[O-]	REAL300000433521	0	47	-2.0	-111.39	380.45	6.17	-105.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C=C1CC(=O)[O-]	REAL300000433522	0	48	-2.0	-111.24	396.60	5.11	-106.13
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C)=C1O	REAL300000433523	0	44	-2.0	-98.93	372.38	6.16	-92.77
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000433524	0	44	-2.0	-107.01	377.34	5.94	-101.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C=C1C(=O)[O-]	REAL300000433525	0	45	-2.0	-110.71	374.07	5.18	-105.53
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C=C1C(=O)[O-]	REAL300000433526	0	44	-2.0	-104.46	376.00	5.95	-98.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)=CC=C1C(=O)[O-]	REAL300000433527	0	44	-2.0	-97.70	362.13	5.52	-92.18
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C)=C1O	REAL300000433528	0	44	-2.0	-109.17	366.09	5.79	-103.38
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1O	REAL300000433529	0	43	-2.0	-115.89	369.89	6.84	-109.05
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1O	REAL300000433530	0	41	-2.0	-113.34	349.76	5.00	-108.34
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C=C1C(=O)[O-]	REAL300000433531	0	44	-2.0	-102.59	367.30	5.55	-97.04
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1O	REAL300000433532	0	47	-2.0	-117.79	387.16	7.10	-110.69
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1O	REAL300000433533	0	40	-2.0	-107.57	342.33	3.09	-104.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C)=C1O	REAL300000433534	0	45	-2.0	-101.87	374.34	4.77	-97.10
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1O	REAL300000433535	0	38	-2.0	-98.06	346.25	3.94	-94.12
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1O	REAL300000433536	0	48	-2.0	-104.58	392.26	6.87	-97.71
CC(C)(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1O	REAL300000433537	0	48	-2.0	-106.76	390.21	6.84	-99.92
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C)=C2O)C=C(C(=O)[O-])O1	REAL300000433538	0	44	-2.0	-104.47	368.24	4.97	-99.50
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1	REAL300000433539	1	37	-2.0	-82.71	353.81	3.77	-78.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=CC=C1F	REAL300000433540	1	30	-2.0	-98.30	301.88	5.21	-93.09
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SN=CC2=C1	REAL300000433541	0	38	-2.0	-99.52	356.97	6.28	-93.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1	REAL300000433542	1	30	-2.0	-88.73	297.33	5.19	-83.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1	REAL300000433543	1	30	-2.0	-100.41	297.35	5.18	-95.23
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SN=CC2=C1	REAL300000433544	0	34	-2.0	-105.85	325.49	4.98	-100.87
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1	REAL300000433545	1	34	-2.0	-88.60	328.80	6.48	-82.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1C(=O)[O-]	REAL300000433546	1	33	-2.0	-101.49	313.37	5.71	-95.78
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1	REAL300000433547	0	30	-2.0	-96.42	310.42	5.75	-90.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=CC=C1Cl	REAL300000433548	1	30	-2.0	-96.50	309.86	5.57	-90.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1C	REAL300000433549	1	36	-2.0	-103.59	329.75	6.50	-97.09
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1	REAL300000433550	0	30	-2.0	-97.76	302.83	5.24	-92.52
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1	REAL300000433551	1	36	-2.0	-87.66	340.92	6.77	-80.89
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1	REAL300000433552	0	27	-2.0	-94.94	290.53	4.20	-90.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SN=CC2=C1	REAL300000433553	1	33	-2.0	-101.79	312.78	5.97	-95.82
CN1C=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1C(=O)[O-]	REAL300000433555	0	31	-2.0	-98.97	303.99	4.54	-94.43
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1	REAL300000433557	0	30	-2.0	-91.37	306.46	4.87	-86.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=CS1	REAL300000433559	0	27	-2.0	-96.39	289.00	4.22	-92.17
COC1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000433560	1	38	-2.0	-100.96	355.66	4.99	-95.97
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1	REAL300000433562	1	40	-2.0	-105.35	352.61	7.80	-97.55
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SN=CC2=C1	REAL300000433563	1	39	-2.0	-103.74	351.26	7.19	-96.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SN=CC2=C1	REAL300000433564	1	36	-2.0	-100.39	327.50	6.91	-93.48
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SN=CC2=C1	REAL300000433565	0	37	-2.0	-105.86	347.78	5.75	-100.11
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3SN=CC3=C2)=CC(C(=O)[O-])=C1	REAL300000433566	0	33	-2.0	-108.51	328.26	5.74	-102.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=CC(C(=O)[O-])=C1	REAL300000433566	1	32	-3.0	-174.18	325.77	5.75	-168.43
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1	REAL300000433567	1	37	-2.0	-105.70	341.60	7.08	-98.62
CC1=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C(C(=O)[O-])O1	REAL300000433568	0	30	-2.0	-95.14	300.36	4.33	-90.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=CC2=C1OCCO2	REAL300000433569	1	36	-2.0	-105.18	339.53	4.95	-100.23
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1	REAL300000433570	0	34	-2.0	-101.51	326.34	4.27	-97.24
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C4SN=CC4=C3)C=C2C1	REAL300000433571	1	38	-2.0	-88.27	350.99	5.80	-82.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C(Cl)C=C1F	REAL300000433572	0	30	-2.0	-93.51	314.95	5.77	-87.74
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1Cl	REAL300000433573	1	34	-2.0	-85.95	344.45	6.01	-79.94
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SN=CC2=C1	REAL300000433575	1	33	-2.0	-92.61	318.06	6.01	-86.60
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1F	REAL300000433576	1	34	-2.0	-86.98	334.64	5.53	-81.45
CC1=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C(C(=O)[O-])S1	REAL300000433578	0	30	-2.0	-98.25	307.04	5.08	-93.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C(Cl)=C1	REAL300000433579	0	30	-2.0	-86.39	310.40	5.74	-80.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1F	REAL300000433580	1	30	-2.0	-88.45	301.88	5.22	-83.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)S1	REAL300000433581	0	27	-2.0	-90.12	289.62	4.31	-85.81
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1	REAL300000433582	1	30	-2.0	-91.64	303.76	5.25	-86.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1F	REAL300000433583	0	33	-2.0	-99.03	323.11	5.89	-93.14
COC1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000433584	0	34	-2.0	-91.04	337.66	5.81	-85.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C(F)=C1	REAL300000433585	0	30	-2.0	-87.97	302.81	5.25	-82.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1Cl	REAL300000433586	1	30	-2.0	-86.40	309.86	5.58	-80.82
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SN=CC2=C1	REAL300000433587	1	33	-2.0	-94.20	326.79	6.39	-87.81
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1	REAL300000433588	1	38	-2.0	-85.49	361.08	6.59	-78.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=CC(F)=C1F	REAL300000433589	1	30	-2.0	-90.14	308.17	5.27	-84.87
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1	REAL300000433590	0	32	-2.0	-86.04	325.54	5.85	-80.19
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1	REAL300000433591	0	31	-2.0	-100.92	307.06	2.90	-98.02
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3SN=CC3=C2)=C1	REAL300000433591	1	31	-2.0	-100.08	296.09	3.77	-96.31
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1	REAL300000433592	1	33	-2.0	-92.10	319.52	5.97	-86.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=CC(Cl)=C1F	REAL300000433593	1	30	-2.0	-91.41	318.06	5.71	-85.70
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2SN=CC2=C1	REAL300000433594	1	33	-2.0	-96.55	307.42	5.81	-90.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=CC(C(=O)[O-])=C1F	REAL300000433595	1	33	-2.0	-99.52	322.18	5.83	-93.69
CC1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=CC(C(=O)[O-])=C1C	REAL300000433597	1	36	-2.0	-104.61	334.85	6.38	-98.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=CC=C1[N+](=O)[O-]	REAL300000433598	0	32	-2.0	-99.55	323.91	6.28	-93.27
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1	REAL300000433599	0	30	-2.0	-89.61	309.11	5.31	-84.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1C(=O)[O-]	REAL300000433601	0	33	-2.0	-99.97	322.67	5.88	-94.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1Cl	REAL300000433602	0	33	-2.0	-98.08	329.11	6.32	-91.76
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1	REAL300000433603	0	33	-2.0	-104.72	322.36	5.87	-98.85
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1C(=O)[O-]	REAL300000433604	1	36	-2.0	-102.12	331.29	6.37	-95.75
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1CC(=O)[O-]	REAL300000433605	1	37	-2.0	-102.33	347.81	5.31	-97.02
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2SN=CC2=C1	REAL300000433606	1	33	-2.0	-90.10	323.61	6.36	-83.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000433607	1	33	-2.0	-98.12	328.57	6.14	-91.98
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1C(=O)[O-]	REAL300000433608	0	34	-2.0	-100.17	325.29	5.39	-94.78
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1C(=O)[O-]	REAL300000433610	1	33	-2.0	-94.97	331.09	6.25	-88.72
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C(C(=O)[O-])S1	REAL300000433611	0	39	-2.0	-98.16	346.79	7.32	-90.84
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1C(=O)[O-]	REAL300000433612	0	34	-2.0	-102.07	337.68	5.82	-96.25
CC1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=CC=C1C(=O)[O-]	REAL300000433613	1	33	-2.0	-88.80	313.36	5.73	-83.07
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C([N+](=O)[O-])=C1	REAL300000433614	0	35	-2.0	-93.01	340.62	7.38	-85.63
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SN=CC2=C1	REAL300000433615	1	33	-2.0	-99.48	317.31	5.99	-93.49
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1[N+](=O)[O-]	REAL300000433616	0	32	-2.0	-107.17	321.09	7.05	-100.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1F	REAL300000433617	0	30	-2.0	-104.05	301.01	5.22	-98.83
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C1C(=O)[O-]	REAL300000433618	1	33	-2.0	-93.24	322.29	5.86	-87.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=CC2=CC=CC=C21	REAL300000433619	1	36	-2.0	-108.37	338.39	7.31	-101.06
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C1	REAL300000433620	0	29	-2.0	-97.98	293.57	3.31	-94.67
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2SN=CC2=C1	REAL300000433621	0	34	-2.0	-92.71	325.55	4.99	-87.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)=C(Cl)O1	REAL300000433622	0	27	-2.0	-88.89	297.50	4.16	-84.73
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4SN=CC4=C3)C=C2)CC1	REAL300000433623	1	37	-2.0	-95.20	343.48	7.07	-88.13
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4SN=CC4=C3)C=C2C1	REAL300000433624	1	37	-2.0	-97.84	342.79	7.08	-90.76
CCC1=C(S(=O)(=O)[N-]C2=CC=C3SN=CC3=C2)C=C(C(=O)[O-])O1	REAL300000433625	0	33	-2.0	-95.07	319.48	5.18	-89.89
CC1=CC(Br)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000433626	1	31	-2.0	-89.26	312.58	6.44	-82.82
CC1=CC(Br)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000433627	1	31	-2.0	-101.34	312.59	6.43	-94.91
CC1=CC(Br)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000433628	0	28	-2.0	-95.64	305.77	5.44	-90.20
CC1=CC(Br)=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000433629	0	32	-2.0	-99.63	319.22	5.77	-93.86
CC1=CC(Br)=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000433630	0	28	-2.0	-97.10	304.23	5.46	-91.64
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(Br)C=C2C)C=C(C(=O)[O-])O1	REAL300000433631	0	31	-2.0	-96.15	315.59	5.56	-90.59
CC1=CC(Br)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000433632	0	28	-2.0	-90.64	304.84	5.56	-85.08
CC1=CC(Br)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000433633	0	30	-2.0	-98.89	308.79	4.54	-94.35
CN(C1=NN(C)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000433664	0	34	-2.0	-118.14	319.66	5.93	-112.21
CN(C1=NN(C)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000433696	0	32	-2.0	-117.10	290.68	4.30	-112.80
COC1=CC=C(CN2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300000433742	0	42	-2.0	-109.33	383.52	6.91	-102.42
COC1=CC=C(CN2C=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300000433743	0	42	-2.0	-122.69	383.53	6.90	-115.79
COC1=CC=C(CN2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=N2)C=C1	REAL300000433744	0	39	-2.0	-116.64	376.72	5.93	-110.71
COC1=CC=C(CN2C=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=N2)C=C1	REAL300000433745	0	43	-2.0	-120.92	390.18	6.25	-114.67
COC1=CC=C(CN2C=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=N2)C=C1	REAL300000433746	0	39	-2.0	-116.42	375.18	5.94	-110.48
COC1=CC=C(CN2C=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=N2)C=C1	REAL300000433747	0	42	-2.0	-116.38	386.54	6.05	-110.33
COC1=CC=C(CN2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=N2)C=C1	REAL300000433748	0	39	-2.0	-111.14	375.79	6.03	-105.11
COC1=CC=C(CN2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=N2)C=C1	REAL300000433749	0	41	-2.0	-120.63	379.75	5.03	-115.60
COCC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000433751	1	43	-2.0	-106.38	375.42	6.09	-100.29
COCC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000433752	0	40	-2.0	-100.99	368.61	5.12	-95.87
COCC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000433753	1	44	-2.0	-104.88	382.06	5.45	-99.43
COCC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000433754	0	40	-2.0	-102.30	367.07	5.14	-97.16
COCC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C21	REAL300000433755	0	43	-2.0	-100.99	378.43	5.24	-95.75
COCC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000433756	0	40	-2.0	-96.09	367.69	5.22	-90.87
COCC(=O)N1CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000433757	0	42	-2.0	-103.98	371.64	4.22	-99.76
CC(C)(C)C1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000433792	0	45	-2.0	-111.40	367.71	7.98	-103.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC2CCCC2)C=C1	REAL300000433814	0	42	-2.0	-98.84	376.23	7.77	-91.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC2CCCC2)=C1	REAL300000433815	0	42	-2.0	-111.40	376.72	7.77	-103.63
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC2CCCC2)C=C1C(=O)[O-]	REAL300000433816	0	43	-2.0	-109.99	382.88	7.11	-102.88
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC2CCCC2)C=C(C(=O)[O-])O1	REAL300000433817	0	42	-2.0	-104.76	379.72	6.89	-97.87
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC2CCCC2)=C1	REAL300000433818	0	41	-2.0	-109.66	372.92	5.88	-103.78
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000433819	0	39	-2.0	-86.91	368.10	3.44	-83.47
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000433820	0	32	-2.0	-103.32	316.18	4.89	-98.43
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1OC	REAL300000433821	0	40	-2.0	-104.12	371.27	5.96	-98.16
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000433822	0	32	-2.0	-93.57	311.62	4.87	-88.70
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000433823	0	32	-2.0	-105.86	311.65	4.86	-101.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1OC	REAL300000433824	0	36	-2.0	-111.06	339.79	4.66	-106.40
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000433825	0	36	-2.0	-92.99	343.10	6.16	-86.83
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000433826	0	35	-2.0	-106.98	327.66	5.39	-101.59
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000433827	0	32	-2.0	-101.27	324.72	5.45	-95.82
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000433828	0	32	-2.0	-101.69	324.15	5.26	-96.43
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000433829	0	38	-2.0	-108.31	344.75	6.19	-102.12
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000433830	0	32	-2.0	-103.04	317.12	4.93	-98.11
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000433831	0	38	-2.0	-92.16	355.21	6.44	-85.72
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000433832	0	29	-2.0	-100.27	304.83	3.88	-96.39
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000433833	0	35	-2.0	-106.41	327.08	5.65	-100.76
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000433834	0	36	-2.0	-91.67	342.71	5.14	-86.53
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000433835	0	33	-2.0	-104.27	318.30	4.21	-100.06
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000433836	0	36	-2.0	-107.14	335.43	3.70	-103.44
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000433837	0	32	-2.0	-96.44	320.75	4.54	-91.90
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000433838	0	38	-2.0	-107.60	343.10	6.18	-101.42
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000433839	0	29	-2.0	-101.64	303.30	3.90	-97.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC)C=C1C(=O)[O-]	REAL300000433840	0	36	-2.0	-111.72	338.93	4.93	-106.79
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000433841	0	42	-2.0	-110.40	366.89	7.49	-102.91
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000433842	0	41	-2.0	-108.60	365.55	6.88	-101.72
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1OC	REAL300000433843	0	38	-2.0	-104.53	341.77	6.58	-97.95
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1OC	REAL300000433844	0	39	-2.0	-111.58	362.08	5.42	-106.16
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000433845	0	34	-3.0	-181.09	340.05	5.43	-175.66
COC1=CC(Cl)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000433845	1	35	-2.0	-107.16	340.09	5.38	-101.78
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000433846	0	39	-2.0	-110.77	355.89	6.76	-104.01
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000433847	0	32	-2.0	-99.73	314.66	4.00	-95.73
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000433848	0	38	-2.0	-110.70	353.81	4.64	-106.06
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000433849	0	36	-2.0	-106.96	340.56	3.94	-103.02
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000433850	0	40	-2.0	-92.21	364.56	5.46	-86.75
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000433851	0	32	-2.0	-98.03	329.25	5.45	-92.58
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000433852	0	39	-2.0	-92.13	362.80	5.85	-86.28
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000433853	0	35	-2.0	-97.16	332.36	5.67	-91.49
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000433854	0	36	-2.0	-91.20	348.95	5.20	-86.00
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC)C=C1C(=O)[O-]	REAL300000433855	0	39	-2.0	-112.36	360.79	5.83	-106.53
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000433856	0	32	-2.0	-103.05	320.27	4.76	-98.29
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000433857	0	32	-2.0	-91.04	324.70	5.44	-85.60
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000433858	0	32	-2.0	-93.05	316.18	4.89	-88.16
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000433859	0	29	-2.0	-95.12	303.91	3.98	-91.14
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000433860	0	32	-2.0	-96.79	318.06	4.92	-91.87
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000433861	0	35	-2.0	-104.46	337.39	5.56	-98.90
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000433862	0	32	-2.0	-92.95	317.11	4.94	-88.01
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000433863	0	32	-2.0	-91.08	324.15	5.27	-85.81
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000433864	0	35	-2.0	-98.79	341.09	6.06	-92.73
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000433865	0	40	-2.0	-89.70	375.38	6.28	-83.42
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000433866	0	32	-2.0	-94.98	322.46	4.96	-90.02
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000433867	0	34	-2.0	-90.99	339.83	5.53	-85.46
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000433868	0	33	-2.0	-105.20	321.36	2.56	-102.64
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000433869	0	35	-2.0	-96.89	333.81	5.64	-91.25
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000433870	0	32	-2.0	-96.40	332.35	5.40	-91.00
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000433871	0	35	-2.0	-102.07	321.68	5.49	-96.58
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000433872	0	35	-2.0	-104.69	336.48	5.52	-99.17
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000433873	0	35	-2.0	-93.63	327.06	5.64	-87.99
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000433874	0	38	-2.0	-108.95	344.53	5.92	-103.03
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000433875	0	34	-2.0	-104.24	338.22	5.95	-98.29
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000433876	0	32	-2.0	-94.74	323.38	4.99	-89.75
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000433877	0	38	-2.0	-106.29	346.12	6.25	-100.04
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000433878	0	35	-2.0	-104.13	333.12	5.46	-98.67
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000433879	0	35	-2.0	-103.02	343.43	6.01	-97.01
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000433880	0	35	-2.0	-110.77	336.68	5.55	-105.22
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC)C=C1C(=O)[O-]	REAL300000433881	0	38	-2.0	-107.70	345.61	6.04	-101.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC)C=C1CC(=O)[O-]	REAL300000433882	0	39	-2.0	-108.31	362.12	4.99	-103.32
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000433883	0	35	-2.0	-95.41	337.91	6.04	-89.37
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000433884	0	35	-2.0	-103.49	342.87	5.82	-97.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC)C=C1C(=O)[O-]	REAL300000433885	0	36	-2.0	-105.51	339.67	5.08	-100.43
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000433886	0	44	-2.0	-106.25	376.79	7.73	-98.52
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000433887	0	35	-2.0	-99.24	341.51	5.83	-93.41
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000433888	0	35	-2.0	-95.20	331.71	5.50	-89.70
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000433889	0	35	-2.0	-103.84	331.60	5.68	-98.16
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000433890	0	34	-2.0	-113.05	335.38	6.70	-106.35
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000433891	0	32	-2.0	-110.03	315.28	4.88	-105.15
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000433892	0	35	-2.0	-97.59	332.81	5.44	-92.15
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000433893	0	38	-2.0	-114.08	352.69	6.98	-107.10
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000433894	0	31	-2.0	-103.63	307.86	2.98	-100.65
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000433895	0	36	-2.0	-97.69	339.85	4.66	-93.03
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000433896	0	29	-2.0	-93.70	311.75	3.83	-89.87
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000433897	0	39	-2.0	-99.98	357.77	6.75	-93.23
COC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000433898	0	39	-2.0	-102.79	355.73	6.73	-96.06
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OC)C=C(C(=O)[O-])O1	REAL300000433899	0	35	-2.0	-99.48	333.76	4.85	-94.63
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)C(F)(F)F)C=C2)=C1	REAL300000433901	1	34	-2.0	-99.46	336.86	6.87	-92.59
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000433902	1	35	-2.0	-97.90	343.50	6.23	-91.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000433903	0	34	-2.0	-94.00	339.85	6.02	-87.98
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)C(F)(F)F)C=C2)=C1	REAL300000433904	0	33	-2.0	-97.04	333.07	5.00	-92.04
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000433905	1	39	-2.0	-110.09	349.33	6.09	-104.00
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C21	REAL300000433906	1	39	-2.0	-100.09	344.78	6.07	-94.02
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000433907	1	39	-2.0	-112.78	346.15	6.13	-106.65
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCN2C(C)=O	REAL300000433908	0	43	-2.0	-119.01	372.93	5.86	-113.15
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=CC=C21	REAL300000433909	1	43	-2.0	-100.02	376.26	7.35	-92.67
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=CC=C21	REAL300000433910	1	42	-2.0	-113.71	360.46	6.57	-107.14
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=CC=C21	REAL300000433911	0	39	-2.0	-108.87	357.52	6.61	-102.26
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C21	REAL300000433912	1	39	-2.0	-108.41	356.96	6.43	-101.98
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=CC=C21	REAL300000433913	1	45	-2.0	-116.70	378.80	7.47	-109.23
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=CC=C21	REAL300000433914	0	39	-2.0	-110.41	349.92	6.10	-104.31
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=CC=C21	REAL300000433915	1	45	-2.0	-99.61	389.72	7.71	-91.90
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C21	REAL300000433916	0	36	-2.0	-106.81	337.63	5.05	-101.76
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=CC=C21	REAL300000433917	1	42	-2.0	-114.62	360.23	6.84	-107.78
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=CC=C21	REAL300000433918	1	43	-2.0	-98.56	375.52	6.31	-92.25
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=CC=C21	REAL300000433919	0	40	-2.0	-111.02	351.44	5.40	-105.62
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C=CC=C21	REAL300000433920	1	43	-2.0	-115.25	369.92	4.96	-110.29
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=CC=C21	REAL300000433921	0	39	-2.0	-102.89	353.90	5.74	-97.15
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=CC=C21	REAL300000433922	1	45	-2.0	-115.75	376.25	7.38	-108.37
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C21	REAL300000433923	0	36	-2.0	-108.26	336.11	5.07	-103.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN3C(C)=O)C=C1C(=O)[O-]	REAL300000433924	1	43	-2.0	-118.48	371.74	6.10	-112.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCN2C(C)=O	REAL300000433925	1	45	-2.0	-113.03	374.92	7.79	-105.24
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=CC=C21	REAL300000433926	0	39	-2.0	-106.95	347.81	5.19	-101.76
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=CC=C21	REAL300000433927	0	43	-2.0	-112.67	375.06	5.21	-107.46
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=CC=C21	REAL300000433928	1	42	-2.0	-104.83	365.51	6.87	-97.96
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=CC=C21	REAL300000433929	0	39	-2.0	-110.54	354.14	5.92	-104.62
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=CC=C21	REAL300000433930	0	39	-2.0	-97.47	357.50	6.59	-90.88
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C21	REAL300000433931	1	39	-2.0	-99.57	349.33	6.10	-93.47
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C21	REAL300000433932	0	36	-2.0	-101.68	337.05	5.19	-96.49
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000433933	1	39	-2.0	-103.55	352.54	6.20	-97.35
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=CC=C21	REAL300000433934	0	42	-2.0	-111.91	370.55	6.76	-105.15
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=CC=C21	REAL300000433935	0	39	-2.0	-99.24	349.91	6.10	-93.14
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C21	REAL300000433936	1	39	-2.0	-97.58	356.95	6.44	-91.14
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000433937	1	39	-2.0	-101.58	355.63	6.15	-95.43
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=CC=C21	REAL300000433938	0	40	-2.0	-113.77	355.85	3.84	-109.93
CC(=O)N1CCC2=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=CC=C21	REAL300000433938	1	40	-2.0	-112.36	352.97	4.58	-107.78
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=CC=C21	REAL300000433939	1	42	-2.0	-104.25	366.63	6.81	-97.44
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=CC=C21	REAL300000433940	1	42	-2.0	-107.99	354.86	6.70	-101.29
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000433941	1	42	-2.0	-111.37	369.29	6.68	-104.69
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=CC=C21	REAL300000433942	1	42	-2.0	-100.35	359.86	6.81	-93.54
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=CC=C21	REAL300000433943	1	45	-2.0	-115.67	377.33	7.10	-108.57
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=CC=C21	REAL300000433944	0	39	-2.0	-101.83	356.55	6.18	-95.65
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=CC=C21	REAL300000433945	1	45	-2.0	-112.40	378.18	7.47	-104.93
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=CC=C21	REAL300000433946	0	42	-2.0	-112.85	371.45	6.83	-106.02
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=CC=C21	REAL300000433947	0	42	-2.0	-116.48	369.83	6.75	-109.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN3C(C)=O)C=C1C(=O)[O-]	REAL300000433948	1	45	-2.0	-114.45	378.77	7.22	-107.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN3C(C)=O)C=C1C(=O)[O-]	REAL300000433949	0	43	-2.0	-112.35	374.08	6.33	-106.02
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=CC=C21	REAL300000433950	1	42	-2.0	-100.12	360.45	6.58	-93.54
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=CC=C21	REAL300000433951	1	42	-2.0	-112.22	365.67	6.96	-105.26
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=CC=C21	REAL300000433952	0	39	-2.0	-115.77	348.45	6.09	-109.68
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=CC=C21	REAL300000433953	1	42	-2.0	-104.31	367.29	6.70	-97.61
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C21	REAL300000433954	0	38	-2.0	-110.68	341.43	4.09	-106.59
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCN2C(C)=O	REAL300000433955	0	43	-2.0	-104.53	374.34	5.92	-98.61
CC(=O)N1CCC2=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=CC=C21	REAL300000433956	0	36	-2.0	-100.50	344.54	5.01	-95.49
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN3C(C)=O)C=C(C(=O)[O-])O1	REAL300000433957	0	42	-2.0	-107.00	366.92	6.05	-100.95
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000433958	0	37	-2.0	-114.53	340.67	4.91	-109.62
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000433959	0	34	-2.0	-114.96	325.24	4.14	-110.82
CN1N=C([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000433960	0	33	-2.0	-110.24	306.37	3.34	-106.90
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3CC2)C=C1C(=O)[O-]	REAL300000433961	0	36	-2.0	-112.33	324.93	5.89	-106.44
CN1N=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1C(=O)[O-]	REAL300000433962	0	28	-2.0	-119.39	278.96	3.76	-115.63
CN1N=C([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000433963	0	30	-3.0	-164.24	303.91	3.20	-161.04
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000433964	0	27	-2.0	-101.48	282.31	2.12	-99.36
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000433965	0	29	-2.0	-108.34	291.32	3.87	-104.47
CN1N=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C=C1C(=O)[O-]	REAL300000433966	0	29	-2.0	-103.79	291.27	3.88	-99.91
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1C(=O)[O-]	REAL300000433967	0	28	-2.0	-108.04	292.68	4.07	-103.97
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000433968	0	31	-2.0	-106.96	313.05	5.40	-101.56
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=C1C(=O)[O-]	REAL300000433969	0	29	-2.0	-119.89	288.55	3.76	-116.13
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1Br	REAL300000433970	0	31	-2.0	-105.98	309.95	4.67	-101.31
CC1=CC=CC(OC2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C2)=C1	REAL300000433971	0	42	-2.0	-109.62	380.57	7.00	-102.62
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C=C1C(=O)[O-]	REAL300000433972	0	28	-2.0	-112.32	286.94	4.19	-108.13
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1NC(C)=O	REAL300000433973	0	39	-2.0	-124.16	355.09	1.80	-122.36
CN1N=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000433974	0	32	-2.0	-103.77	316.43	3.28	-100.49
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000433975	0	37	-3.0	-158.99	355.37	2.63	-156.36
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000433976	0	30	-3.0	-176.53	303.45	4.07	-172.46
CC1=C(C)C(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=C1C	REAL300000433977	0	43	-2.0	-114.51	347.12	6.64	-107.87
CN1N=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000433978	0	32	-2.0	-107.68	319.77	5.57	-102.11
CN1N=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1C(=O)[O-]	REAL300000433979	0	37	-2.0	-110.75	333.28	3.42	-107.33
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000433980	0	33	-2.0	-109.49	314.65	4.68	-104.81
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000433981	0	38	-3.0	-178.13	358.54	5.15	-172.98
CN1N=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C=C1C(=O)[O-]	REAL300000433982	0	25	-2.0	-103.80	284.06	3.21	-100.59
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1Cl	REAL300000433983	0	34	-2.0	-107.61	329.49	5.99	-101.62
COC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000433984	0	32	-2.0	-114.65	320.01	3.91	-110.74
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000433985	0	46	-2.0	-112.10	377.09	7.50	-104.60
CN1N=C([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000433986	0	44	-2.0	-110.76	372.30	7.29	-103.47
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000433987	0	31	-2.0	-103.31	309.18	4.49	-98.82
CN1N=C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)C=C1C(=O)[O-]	REAL300000433988	0	38	-2.0	-113.60	333.18	5.98	-107.62
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000433989	0	30	-3.0	-164.75	298.90	4.05	-160.70
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000433990	0	36	-2.0	-120.27	328.18	2.58	-117.69
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000433991	0	36	-2.0	-109.88	329.18	2.69	-107.19
CN1N=C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)C=C1C(=O)[O-]	REAL300000433992	0	35	-2.0	-113.76	316.01	5.39	-108.37
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000433993	0	30	-2.0	-100.97	285.38	2.41	-98.56
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000433994	0	28	-2.0	-102.30	302.37	4.46	-97.84
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000433995	0	30	-3.0	-180.05	298.92	4.04	-176.01
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000433996	0	28	-2.0	-101.37	283.15	3.61	-97.76
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000433997	0	28	-2.0	-107.95	300.32	4.56	-103.39
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000433998	0	31	-2.0	-107.66	309.18	4.49	-103.17
CN1N=C([N-]S(=O)(=O)C=CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000433999	0	32	-2.0	-109.99	302.36	4.66	-105.33
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000434000	0	31	-2.0	-115.09	296.33	4.88	-110.21
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000434001	0	31	-2.0	-101.61	322.35	4.91	-96.70
CN1N=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000434002	0	28	-2.0	-108.25	287.18	4.01	-104.24
CN1N=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000434003	0	31	-2.0	-107.04	322.33	5.04	-102.00
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434004	0	33	-2.0	-110.29	313.20	3.97	-106.32
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434005	0	34	-2.0	-112.69	307.35	4.92	-107.77
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000434006	0	34	-2.0	-113.63	308.87	4.69	-108.94
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000434007	0	28	-2.0	-101.68	293.04	4.05	-97.63
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434008	0	33	-2.0	-121.49	310.94	3.87	-117.62
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000434009	0	34	-2.0	-112.01	307.35	4.92	-107.09
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434010	0	34	-2.0	-125.31	315.69	4.89	-120.42
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434011	0	37	-2.0	-105.92	347.08	5.08	-100.84
CN1N=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C1C(=O)[O-]	REAL300000434012	0	28	-2.0	-109.90	298.76	4.50	-105.40
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000434013	0	34	-2.0	-108.63	325.97	4.23	-104.40
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000434014	0	40	-2.0	-111.30	346.67	5.81	-105.49
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434015	0	37	-2.0	-111.27	330.69	5.42	-105.85
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434016	0	40	-2.0	-111.19	349.13	6.08	-105.11
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434017	0	39	-2.0	-110.78	366.02	1.49	-109.29
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434018	0	34	-3.0	-185.34	327.05	3.86	-181.48
CN1N=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000434019	0	34	-3.0	-164.90	330.36	5.34	-159.56
CN1N=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300000434020	0	28	-2.0	-112.72	294.06	4.80	-107.92
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1C(=O)[O-]	REAL300000434021	0	25	-2.0	-103.67	279.42	3.10	-100.57
CCCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434022	0	37	-2.0	-111.18	334.84	5.71	-105.47
COC1=CC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434023	0	32	-2.0	-119.03	298.72	3.28	-115.75
CN1N=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2Cl)C=C1C(=O)[O-]	REAL300000434024	0	28	-2.0	-105.16	304.88	4.65	-100.51
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1Br	REAL300000434025	0	32	-2.0	-107.86	320.36	3.46	-104.40
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434026	0	33	-3.0	-181.77	314.94	4.58	-177.19
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434027	0	39	-2.0	-134.36	355.06	2.16	-132.20
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1C(=O)[O-]	REAL300000434028	0	28	-2.0	-105.89	288.55	3.67	-102.22
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000434029	0	28	-2.0	-102.77	303.91	4.52	-98.25
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1C(=O)[O-]	REAL300000434030	0	28	-2.0	-113.03	283.58	4.04	-108.99
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC(C(=O)OC)=C1	REAL300000434031	0	40	-2.0	-113.01	379.97	4.78	-108.23
CN1N=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000434032	0	28	-2.0	-108.14	291.74	4.11	-104.03
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434033	0	40	-2.0	-125.52	372.15	5.51	-120.01
CN1N=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434034	0	30	-2.0	-108.55	298.67	4.16	-104.39
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434035	0	33	-2.0	-107.79	314.16	4.93	-102.86
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434036	0	30	-2.0	-102.24	311.12	4.54	-97.70
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434037	0	32	-2.0	-109.53	299.94	2.78	-106.75
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000434038	0	30	-2.0	-124.18	291.53	4.92	-119.26
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C(=O)[O-]	REAL300000434039	0	30	-3.0	-174.81	311.99	4.60	-170.21
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434040	0	30	-3.0	-175.44	311.42	4.44	-171.00
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434041	0	35	-2.0	-109.20	321.79	3.71	-105.49
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000434042	0	28	-2.0	-107.43	282.36	3.62	-103.81
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000434043	0	28	-2.0	-102.01	283.27	3.62	-98.39
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000434044	0	30	-3.0	-169.94	324.49	4.98	-164.96
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1C	REAL300000434045	0	40	-2.0	-112.81	333.97	6.17	-106.64
CN1N=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1C(=O)[O-]	REAL300000434046	0	34	-2.0	-111.78	314.94	2.64	-109.14
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000434047	0	37	-2.0	-112.16	322.00	5.83	-106.33
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434048	0	43	-2.0	-113.94	362.15	6.58	-107.36
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1C(=O)[O-]	REAL300000434049	0	28	-2.0	-104.99	287.18	4.01	-100.98
CN1N=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C=C1C(=O)[O-]	REAL300000434050	0	28	-2.0	-104.88	291.74	4.11	-100.77
CN1N=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000434051	0	30	-2.0	-99.43	298.68	4.16	-95.27
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434052	0	35	-2.0	-117.02	326.79	2.38	-114.64
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434053	0	28	-2.0	-110.77	284.28	3.28	-107.49
CN1N=C([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000434054	0	44	-2.0	-115.60	385.58	4.42	-111.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1C	REAL300000434055	0	36	-3.0	-182.00	331.58	5.41	-176.59
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434056	0	32	-2.0	-111.64	315.44	3.80	-107.84
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434057	0	31	-2.0	-107.97	307.23	4.88	-103.09
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000434058	0	30	-2.0	-114.15	308.27	5.42	-108.73
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000434059	0	30	-3.0	-176.55	304.38	4.11	-172.44
CN1N=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=C1C(=O)[O-]	REAL300000434060	0	25	-2.0	-102.73	293.29	3.64	-99.09
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434061	0	43	-2.0	-111.05	373.90	6.99	-104.06
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434062	0	33	-2.0	-106.90	308.72	4.76	-102.14
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1C(=O)[O-]	REAL300000434063	0	28	-2.0	-110.80	282.34	3.62	-107.18
CN1N=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000434064	0	36	-3.0	-164.28	342.48	5.63	-158.65
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434065	0	38	-2.0	-116.74	347.10	3.19	-113.55
CN1N=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000434066	0	32	-2.0	-106.98	306.19	0.30	-106.68
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000434067	0	35	-2.0	-108.76	341.37	4.17	-104.59
CSC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434068	0	32	-2.0	-109.38	310.64	4.51	-104.87
CN1N=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1C(=O)[O-]	REAL300000434069	0	33	-2.0	-108.13	312.47	1.95	-106.18
CN1N=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000434070	0	36	-2.0	-109.17	330.28	2.67	-106.50
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1OCC	REAL300000434071	0	42	-2.0	-110.03	372.89	4.53	-105.50
CN1N=C([N-]S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C=C1C(=O)[O-]	REAL300000434072	0	33	-2.0	-108.62	318.73	3.66	-104.96
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(=O)[O-]	REAL300000434073	0	27	-3.0	-172.63	292.10	3.07	-169.56
CN1N=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1C(=O)[O-]	REAL300000434074	0	31	-2.0	-106.44	302.20	0.99	-105.45
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434075	0	33	-3.0	-179.68	314.35	4.83	-174.85
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434076	0	34	-2.0	-109.83	307.15	2.52	-107.31
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434077	0	36	-2.0	-116.34	347.06	-0.34	-116.68
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1C	REAL300000434078	0	36	-2.0	-107.81	331.44	5.52	-102.29
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C2CC1C	REAL300000434079	0	42	-2.0	-119.33	365.03	5.07	-114.26
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434080	0	34	-2.0	-106.30	325.22	4.15	-102.15
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434081	0	35	-2.0	-110.61	326.88	1.76	-108.85
CN1N=C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000434082	0	33	-2.0	-111.97	324.69	-1.56	-113.53
CN1N=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000434083	0	32	-2.0	-107.24	325.72	3.62	-103.62
CN1N=C([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)C=C1C(=O)[O-]	REAL300000434084	0	39	-2.0	-118.25	348.27	4.60	-113.65
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000434085	0	42	-2.0	-122.85	363.13	5.08	-117.77
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434086	0	37	-2.0	-120.26	342.71	5.21	-115.05
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000434087	0	32	-2.0	-110.54	304.95	0.27	-110.27
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000434088	0	39	-2.0	-119.97	351.05	4.61	-115.36
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434089	0	34	-2.0	-111.48	313.34	4.93	-106.55
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000434090	0	34	-2.0	-114.63	316.39	5.77	-108.86
COC(=O)C1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=CS1	REAL300000434091	0	31	-2.0	-121.59	310.03	3.82	-117.77
COCCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434092	0	38	-2.0	-110.49	347.01	4.00	-106.49
COC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000434093	0	38	-2.0	-109.77	330.03	4.45	-105.32
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000434094	0	34	-3.0	-163.67	329.98	4.33	-159.34
COCCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000434095	0	42	-2.0	-111.90	375.50	3.72	-108.18
CN1N=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C=C1C(=O)[O-]	REAL300000434096	0	39	-2.0	-113.20	354.69	7.60	-105.60
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434097	0	40	-2.0	-111.47	351.66	6.17	-105.30
CN1N=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)C=C1C(=O)[O-]	REAL300000434099	0	33	-2.0	-108.10	325.57	2.48	-105.62
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C1C(=O)[O-]	REAL300000434100	0	33	-2.0	-107.37	312.83	3.99	-103.38
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434101	0	34	-2.0	-124.66	323.33	2.08	-122.58
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=C2N=C1	REAL300000434102	0	36	-2.0	-128.65	331.80	4.76	-123.89
CCCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434103	0	38	-2.0	-108.71	343.29	4.51	-104.20
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000434104	0	31	-2.0	-112.60	305.00	4.71	-107.89
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C=C1C(=O)[O-]	REAL300000434105	0	32	-2.0	-114.23	315.21	3.76	-110.47
CN1N=C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000434106	0	34	-2.0	-108.14	321.18	0.72	-107.42
CN1N=C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000434107	0	33	-2.0	-115.61	324.69	-1.56	-117.17
CN1N=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)C=C1C(=O)[O-]	REAL300000434108	0	36	-2.0	-108.40	333.28	3.91	-104.49
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000434109	0	34	-2.0	-119.25	321.01	4.20	-115.05
CN1N=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000434110	0	34	-2.0	-107.02	327.00	0.48	-106.54
CN1N=C([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000434111	0	35	-2.0	-105.09	336.08	2.74	-102.35
CN1N=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C=C1C(=O)[O-]	REAL300000434112	0	33	-2.0	-104.85	318.16	4.98	-99.87
CN1N=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)C=C1C(=O)[O-]	REAL300000434113	0	34	-2.0	-107.83	324.59	3.44	-104.39
CN1N=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000434114	0	32	-2.0	-105.78	316.44	3.28	-102.50
CN1N=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000434115	0	34	-2.0	-116.18	331.15	1.01	-115.17
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434116	0	31	-2.0	-104.10	292.33	4.33	-99.77
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434117	0	36	-2.0	-111.36	347.06	-0.34	-111.70
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000434118	0	38	-2.0	-114.90	340.31	7.35	-107.55
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1C(=O)[O-]	REAL300000434119	0	28	-2.0	-104.60	289.98	4.11	-100.49
CN1N=C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000434120	0	40	-2.0	-117.95	356.38	2.83	-115.12
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(F)=C1	REAL300000434121	0	35	-2.0	-122.76	332.02	2.44	-120.32
CN1N=C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000434122	0	34	-2.0	-119.72	331.15	1.01	-118.71
CN1N=C([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)C=C1C(=O)[O-]	REAL300000434123	0	37	-2.0	-112.27	344.65	6.18	-106.09
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434124	0	39	-2.0	-116.15	366.78	1.45	-114.70
CN1N=C([N-]S(=O)(=O)N2CCC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300000434125	1	37	-2.0	-109.05	327.55	4.80	-104.25
COC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000434126	0	36	-2.0	-111.78	334.66	2.76	-109.02
COC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000434127	0	39	-2.0	-110.03	344.63	3.45	-106.58
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434128	0	31	-3.0	-177.63	305.56	3.39	-174.24
CN1C=NC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1Cl	REAL300000434129	0	28	-2.0	-117.97	287.92	3.05	-114.92
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(Br)=C1	REAL300000434130	0	31	-2.0	-111.84	308.35	4.86	-106.98
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000434131	0	33	-2.0	-109.15	312.40	-0.35	-109.50
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434132	0	34	-3.0	-180.44	322.70	2.89	-177.55
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434133	0	34	-2.0	-113.62	338.32	4.69	-108.93
COCCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434134	0	39	-2.0	-111.15	355.42	2.98	-108.17
CN1N=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000434135	0	34	-2.0	-119.29	344.29	1.56	-117.73
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000434136	0	32	-2.0	-107.60	315.97	3.34	-104.26
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000434137	0	32	-2.0	-107.46	306.16	2.86	-104.60
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000434138	0	35	-2.0	-110.50	320.03	3.53	-106.97
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000434139	0	38	-2.0	-110.21	341.88	4.45	-105.76
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000434140	0	35	-2.0	-106.12	321.04	0.95	-105.17
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000434141	0	36	-2.0	-107.77	332.27	0.86	-106.91
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000434142	0	44	-2.0	-117.28	379.61	6.71	-110.57
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000434143	0	43	-2.0	-108.21	376.56	2.99	-105.22
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434144	0	33	-2.0	-99.28	314.16	4.93	-94.35
CN1N=C([N-]S(=O)(=O)CCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000434145	0	34	-2.0	-108.67	315.80	4.96	-103.71
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CN1C	REAL300000434146	0	36	-2.0	-109.69	334.33	1.14	-108.55
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434147	0	31	-2.0	-108.07	302.67	4.78	-103.29
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434148	0	41	-2.0	-108.77	363.40	5.21	-103.56
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=N2)C=C1	REAL300000434149	0	38	-2.0	-109.03	352.42	5.28	-103.75
CN1N=C([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300000434150	0	35	-2.0	-104.00	330.68	3.83	-100.17
CN1N=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000434151	0	39	-2.0	-110.27	345.92	3.62	-106.65
COC1=C(C)C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000434152	0	38	-2.0	-110.43	344.03	4.37	-106.06
CN1N=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)C=C1C(=O)[O-]	REAL300000434153	0	36	-2.0	-110.68	333.99	3.34	-107.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434154	0	30	-3.0	-167.96	308.02	3.73	-164.23
CN1N=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000434155	0	29	-2.0	-100.51	306.67	4.29	-96.22
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000434156	0	29	-2.0	-101.28	306.66	4.29	-96.99
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434157	0	36	-3.0	-182.71	334.36	5.46	-177.25
CN1N=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000434158	0	32	-2.0	-116.13	308.81	3.85	-112.28
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=CC=CN=C12	REAL300000434159	0	37	-2.0	-113.83	335.76	3.28	-110.55
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000434160	0	31	-2.0	-108.81	305.91	4.60	-104.21
CN1N=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000434161	0	28	-2.0	-113.00	292.13	4.05	-108.95
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Br)C=C1C(=O)[O-]	REAL300000434162	0	28	-2.0	-103.90	293.33	4.26	-99.64
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000434163	0	41	-2.0	-110.47	359.81	5.08	-105.39
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434164	0	34	-2.0	-105.49	326.92	3.95	-101.54
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000434165	0	38	-2.0	-117.70	339.82	5.15	-112.55
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000434166	0	31	-2.0	-108.61	297.17	4.19	-104.42
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434167	0	31	-2.0	-104.99	302.67	4.77	-100.22
CN1N=C([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000434168	0	28	-2.0	-104.19	310.78	5.30	-98.89
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434169	0	31	-2.0	-116.47	297.37	4.21	-112.26
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434170	0	31	-2.0	-108.19	292.34	4.33	-103.86
CN1N=C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)C=C1C(=O)[O-]	REAL300000434171	0	34	-2.0	-110.34	330.49	5.55	-104.79
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434172	0	33	-2.0	-123.83	308.84	5.85	-117.98
CN1N=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C=C1C(=O)[O-]	REAL300000434173	0	36	-2.0	-112.52	335.75	2.73	-109.79
CN1N=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000434174	0	32	-2.0	-106.03	317.04	5.27	-100.76
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000434175	0	48	-2.0	-108.62	405.03	7.10	-101.52
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434176	0	38	-2.0	-122.27	342.60	3.34	-118.93
CN1N=C([N-]S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000434177	0	42	-2.0	-108.86	365.10	5.71	-103.15
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434178	0	36	-2.0	-128.88	331.74	4.77	-124.11
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434179	0	44	-2.0	-108.35	382.36	5.81	-102.54
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434180	0	38	-2.0	-112.69	356.30	4.41	-108.28
CN1N=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434181	0	27	-3.0	-174.69	290.57	3.07	-171.62
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1Cl	REAL300000434182	0	31	-2.0	-113.40	312.81	5.39	-108.01
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000434183	0	38	-3.0	-179.95	357.22	3.85	-176.10
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434184	0	37	-2.0	-119.49	346.64	1.78	-117.71
CN1N=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000434185	0	30	-2.0	-99.47	311.81	4.71	-94.76
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434186	0	34	-3.0	-186.19	326.21	4.11	-182.08
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=CC=CN=C2C=C1	REAL300000434187	0	36	-2.0	-112.97	320.55	4.87	-108.10
COC(=O)CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434188	0	41	-2.0	-112.28	377.25	4.56	-107.72
CN1N=C([N-]S(=O)(=O)C2=C(Br)C=CS2)C=C1C(=O)[O-]	REAL300000434189	0	25	-2.0	-108.82	282.76	3.04	-105.78
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1O	REAL300000434190	0	35	-2.0	-107.89	334.06	2.17	-105.72
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434191	0	41	-2.0	-119.57	374.15	3.27	-116.30
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000434192	0	30	-2.0	-117.75	295.36	4.94	-112.81
CN1N=C([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)C=C1C(=O)[O-]	REAL300000434193	0	27	-2.0	-102.74	300.06	2.78	-99.96
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434194	0	42	-2.0	-121.90	380.89	2.30	-119.60
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1C(=O)[O-]	REAL300000434195	0	40	-3.0	-184.65	354.14	6.68	-177.97
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434196	0	39	-3.0	-183.12	352.81	6.05	-177.07
CN1N=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000434197	0	38	-2.0	-112.13	344.64	6.90	-105.23
CN1N=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000434198	0	30	-2.0	-119.56	303.85	4.87	-114.69
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434199	0	37	-2.0	-119.51	350.48	1.99	-117.52
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434200	0	39	-2.0	-121.15	361.21	3.15	-118.00
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000434201	0	35	-2.0	-109.57	315.41	3.56	-106.01
COC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000434202	0	38	-2.0	-110.50	335.47	4.29	-106.21
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)C=C1C(=O)[O-]	REAL300000434203	0	39	-2.0	-121.74	358.51	3.46	-118.28
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434204	0	32	-2.0	-113.86	301.64	1.85	-112.01
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434205	0	36	-3.0	-178.38	329.05	5.77	-172.61
CN1N=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C1C(=O)[O-]	REAL300000434206	0	31	-2.0	-114.47	309.98	4.39	-110.08
CN1N=C([N-]S(=O)(=O)C2=CC3=C(C=C2)N(C)C2=C3C=CC=C2)C=C1C(=O)[O-]	REAL300000434207	0	41	-2.0	-118.15	370.24	7.32	-110.83
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434208	0	37	-3.0	-185.35	349.33	4.63	-180.72
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434209	0	32	-4.0	-262.78	327.32	4.61	-258.17
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434210	0	31	-2.0	-104.09	318.32	3.25	-100.84
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C(=O)[O-]	REAL300000434211	0	37	-3.0	-184.57	343.16	5.93	-178.64
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(S(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000434212	0	34	-2.0	-112.71	335.56	1.03	-111.68
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000434213	0	36	-2.0	-124.52	327.43	6.09	-118.43
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1C(=O)[O-]	REAL300000434214	0	32	-2.0	-103.28	308.27	3.85	-99.43
CN1N=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000434215	0	28	-2.0	-108.70	285.36	3.83	-104.87
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434216	0	38	-2.0	-118.15	366.56	2.41	-115.74
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434217	0	38	-2.0	-109.09	363.94	2.47	-106.62
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000434218	0	30	-3.0	-170.34	301.92	3.19	-167.15
CN1N=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1C(=O)[O-]	REAL300000434219	0	31	-2.0	-132.03	298.65	2.68	-129.35
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434220	0	34	-2.0	-116.34	330.71	4.19	-112.15
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434221	0	38	-2.0	-120.93	341.98	4.87	-116.06
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000434222	0	31	-2.0	-101.03	314.77	4.55	-96.48
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434223	0	44	-2.0	-110.31	382.68	5.26	-105.05
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434224	0	44	-2.0	-108.43	386.29	6.07	-102.36
CN1N=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000434225	0	30	-2.0	-123.51	304.17	5.66	-117.85
CN1N=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1C(=O)[O-]	REAL300000434226	0	33	-2.0	-121.81	318.78	3.66	-118.15
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000434227	0	41	-2.0	-117.15	361.67	6.07	-111.08
CN1N=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434228	0	36	-3.0	-185.22	341.09	3.82	-181.40
CN1N=C([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000434229	0	32	-2.0	-104.98	326.83	4.95	-100.03
CN1N=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000434230	0	27	-2.0	-102.10	286.77	2.29	-99.81
CN1N=C([N-]S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000434231	0	36	-2.0	-113.94	344.01	0.20	-113.74
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434232	0	42	-2.0	-111.09	377.27	3.95	-107.14
CN1N=C([N-]S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2F)C=C1C(=O)[O-]	REAL300000434233	0	36	-2.0	-115.23	353.18	0.17	-115.06
CN1N=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2F)C=C1C(=O)[O-]	REAL300000434234	0	34	-2.0	-122.10	336.63	1.07	-121.03
CN1N=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000434235	0	30	-2.0	-127.53	296.46	5.12	-122.41
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434236	0	34	-3.0	-183.53	327.83	3.15	-180.38
CN1N=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1C(=O)[O-]	REAL300000434237	0	38	-3.0	-166.40	352.55	4.66	-161.74
CN1N=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000434238	0	35	-2.0	-109.44	331.02	4.60	-104.84
CN1N=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000434239	0	38	-2.0	-108.92	356.43	5.05	-103.87
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000434240	0	42	-2.0	-109.96	381.71	6.77	-103.19
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434241	0	30	-3.0	-168.67	326.60	4.89	-163.78
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C(=O)[O-]	REAL300000434242	0	30	-3.0	-170.38	316.50	4.63	-165.75
CN1N=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1C(=O)[O-]	REAL300000434243	0	27	-2.0	-101.90	271.86	1.77	-100.13
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000434244	0	34	-3.0	-161.82	346.01	4.87	-156.95
CN1N=C([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)C=C1C(=O)[O-]	REAL300000434245	0	28	-2.0	-110.61	297.24	4.17	-106.44
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000434246	0	34	-2.0	-108.20	324.88	5.01	-103.19
CN1N=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)C=C1C(=O)[O-]	REAL300000434247	0	38	-2.0	-108.38	350.69	4.41	-103.97
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C=C1C(=O)[O-]	REAL300000434248	0	40	-2.0	-112.65	364.18	5.47	-107.18
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434249	0	31	-2.0	-109.66	318.50	3.15	-106.51
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434250	0	36	-2.0	-106.68	328.89	5.88	-100.80
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)C=C1C(=O)[O-]	REAL300000434251	0	33	-2.0	-113.09	306.62	3.92	-109.17
CN1N=C([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C=C1C(=O)[O-]	REAL300000434252	0	34	-2.0	-113.43	343.69	4.18	-109.25
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C1C(=O)[O-]	REAL300000434253	0	27	-2.0	-102.91	295.60	2.61	-100.30
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1OCC(=O)[O-]	REAL300000434254	0	37	-3.0	-164.19	350.07	5.03	-159.16
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000434255	0	38	-2.0	-109.24	337.26	4.48	-104.76
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C12	REAL300000434256	0	36	-2.0	-105.35	336.78	3.21	-102.14
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C12	REAL300000434257	0	32	-2.0	-100.92	310.21	0.46	-100.46
CN1N=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000434258	0	28	-2.0	-99.93	286.40	2.01	-97.92
CN1N=C([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)C=C1C(=O)[O-]	REAL300000434259	0	37	-2.0	-113.04	351.99	6.33	-106.71
CN1N=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000434260	0	28	-2.0	-113.91	282.24	3.61	-110.30
COC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(F)=C1	REAL300000434261	0	32	-2.0	-114.25	308.43	3.06	-111.19
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434262	0	34	-2.0	-119.51	332.41	5.41	-114.10
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000434263	0	30	-2.0	-117.76	305.69	5.39	-112.37
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434264	0	33	-3.0	-169.36	319.62	4.86	-164.50
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1OCCCC(=O)[O-]	REAL300000434265	0	43	-3.0	-164.26	392.52	5.97	-158.29
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000434266	0	34	-2.0	-117.54	313.59	3.14	-114.40
COC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=CC=C(Cl)N=C2C=C1	REAL300000434267	0	37	-2.0	-115.71	349.50	4.73	-110.98
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000434268	0	34	-3.0	-162.41	336.21	4.39	-158.02
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000434269	0	32	-2.0	-113.99	308.47	3.54	-110.45
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434270	0	37	-2.0	-114.61	347.10	5.07	-109.54
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434271	0	40	-2.0	-105.49	368.58	5.87	-99.62
CN1N=C([N-]S(=O)(=O)C2=CC(Br)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000434272	0	28	-2.0	-107.72	304.88	4.66	-103.06
CN1N=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C(=O)NC(=O)N3C)C=C1C(=O)[O-]	REAL300000434273	0	36	-2.0	-102.23	340.13	0.90	-101.33
COCC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434274	0	35	-2.0	-113.62	325.52	3.21	-110.41
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434275	0	34	-2.0	-119.54	322.08	4.96	-114.58
CN1N=C([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C=C1C(=O)[O-]	REAL300000434276	0	36	-2.0	-119.88	333.45	4.04	-115.84
CN1N=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C=C1C(=O)[O-]	REAL300000434277	0	31	-2.0	-109.82	314.69	4.55	-105.27
CN1N=C([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000434278	0	28	-2.0	-102.96	302.95	4.21	-98.75
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000434279	0	31	-2.0	-106.25	302.72	4.95	-101.30
CN1N=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C=C1C(=O)[O-]	REAL300000434280	0	28	-2.0	-109.91	302.54	3.59	-106.32
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434281	0	37	-3.0	-186.89	348.05	5.02	-181.87
CN1N=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1C(=O)[O-]	REAL300000434282	0	33	-2.0	-110.06	306.42	2.78	-107.28
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000434283	0	37	-2.0	-103.69	351.66	5.09	-98.60
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000434284	0	28	-2.0	-107.89	289.99	4.11	-103.78
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C2)=CO1	REAL300000434285	0	37	-2.0	-114.22	346.84	2.55	-111.67
CN1N=C([N-]S(=O)(=O)CCOCC(F)(F)F)C=C1C(=O)[O-]	REAL300000434286	0	31	-2.0	-104.25	309.49	1.65	-102.60
CC1CC2=CC(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000434287	0	36	-2.0	-110.23	327.38	4.08	-106.15
CN1N=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000434288	0	32	-2.0	-104.59	314.74	0.34	-104.25
COC(=O)C1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=CC=CC=C2S1	REAL300000434289	0	37	-2.0	-124.31	350.89	6.41	-117.90
COC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434290	0	32	-2.0	-113.66	299.95	2.78	-110.88
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434291	0	34	-2.0	-113.85	331.11	1.73	-112.12
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434291	1	33	-3.0	-172.95	327.80	0.60	-172.35
COC1=CC=C(OCCCS(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434292	0	42	-2.0	-109.17	375.27	3.83	-105.34
CN1N=C([N-]S(=O)(=O)CC2CCCCO2)C=C1C(=O)[O-]	REAL300000434293	0	35	-2.0	-112.25	308.50	2.47	-109.78
CC1CC(C)CN(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C1	REAL300000434294	1	39	-2.0	-109.62	330.73	3.85	-105.77
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000434295	0	34	-2.0	-104.21	335.25	4.23	-99.98
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(F)=C1	REAL300000434296	0	31	-2.0	-115.85	297.37	4.22	-111.63
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000434297	0	35	-2.0	-115.41	346.99	3.09	-112.32
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434298	0	47	-2.0	-133.47	403.33	6.31	-127.16
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000434299	0	32	-2.0	-106.55	329.07	3.90	-102.65
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000434300	0	31	-2.0	-104.88	297.18	4.18	-100.70
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)O1	REAL300000434301	0	31	-2.0	-104.35	310.00	2.27	-102.08
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000434302	0	33	-2.0	-128.66	310.40	4.11	-124.55
CN1N=C([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C=C1C(=O)[O-]	REAL300000434303	0	34	-2.0	-117.02	337.30	4.11	-112.91
CN1N=C([N-]S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C=C1C(=O)[O-]	REAL300000434304	0	34	-2.0	-113.19	354.02	4.63	-108.56
CN1N=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000434305	0	28	-2.0	-102.35	288.64	3.67	-98.68
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434306	0	40	-2.0	-115.77	357.75	2.42	-113.35
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000434307	0	30	-3.0	-175.08	307.54	3.93	-171.15
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1C	REAL300000434308	0	37	-2.0	-113.83	334.80	4.81	-109.02
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434309	0	32	-2.0	-113.36	313.06	3.34	-110.02
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C1C(=O)[O-]	REAL300000434310	0	30	-3.0	-168.11	327.13	5.05	-163.06
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000434311	0	30	-2.0	-102.33	301.10	2.70	-99.63
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434312	0	34	-2.0	-118.41	328.62	1.07	-117.34
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=C1C	REAL300000434313	0	38	-2.0	-110.65	331.09	4.17	-106.48
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434314	0	37	-2.0	-116.68	347.41	4.93	-111.75
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)N(C)C	REAL300000434315	0	42	-2.0	-109.76	374.85	2.98	-106.78
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C21	REAL300000434316	0	39	-2.0	-133.32	349.27	4.51	-128.81
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434317	0	40	-2.0	-110.45	349.65	4.10	-106.35
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)SC=C1	REAL300000434318	0	28	-2.0	-110.58	278.18	3.30	-107.28
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434319	0	34	-2.0	-108.13	341.97	4.65	-103.48
CCN1N=C(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1C	REAL300000434320	0	37	-2.0	-109.82	329.89	3.43	-106.39
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000434321	0	37	-2.0	-106.61	341.25	4.68	-101.93
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000434322	0	33	-2.0	-100.01	314.68	4.67	-95.34
CC1CCN(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)CC1	REAL300000434323	1	36	-2.0	-108.48	309.87	3.26	-105.22
CN1N=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000434324	0	36	-2.0	-123.44	330.04	1.94	-121.50
CN1N=C([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000434325	0	37	-2.0	-124.79	355.48	1.69	-123.10
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434326	0	32	-2.0	-107.84	306.72	4.65	-103.19
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000434327	0	35	-2.0	-119.10	331.35	2.50	-116.60
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000434328	0	33	-2.0	-109.79	320.16	4.74	-105.05
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C=C1C(=O)[O-]	REAL300000434329	0	40	-2.0	-110.66	323.12	5.99	-104.67
CC1CC2=CC(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=CC(Cl)=C2O1	REAL300000434330	0	36	-2.0	-107.50	344.23	4.62	-102.88
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000434331	0	38	-2.0	-130.18	345.34	3.28	-126.90
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C21	REAL300000434332	0	42	-2.0	-134.50	362.09	5.07	-129.43
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434333	0	32	-2.0	-113.18	308.13	3.96	-109.22
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434334	0	32	-2.0	-103.80	306.70	4.64	-99.16
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434335	0	40	-2.0	-110.91	332.32	6.95	-103.96
CN1N=C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C=C1C(=O)[O-]	REAL300000434336	0	37	-2.0	-117.96	339.14	3.56	-114.40
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1OC	REAL300000434337	0	38	-2.0	-109.52	352.53	4.19	-105.33
CN1N=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C=C1C(=O)[O-]	REAL300000434338	0	29	-2.0	-106.76	296.75	3.94	-102.82
CN1N=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000434339	0	31	-2.0	-115.12	308.90	5.54	-109.58
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C2O1	REAL300000434340	0	33	-2.0	-108.93	314.10	1.14	-107.79
CC(C)N1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=N1	REAL300000434341	0	34	-2.0	-108.27	315.21	2.58	-105.69
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)C=C1C(=O)[O-]	REAL300000434342	0	33	-2.0	-114.85	309.57	-0.17	-115.02
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000434343	0	33	-2.0	-111.97	311.42	3.87	-108.10
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=N1	REAL300000434344	0	34	-2.0	-113.37	329.80	2.25	-111.12
CC(C)C1=NC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CN1	REAL300000434345	0	34	-2.0	-118.90	314.42	1.92	-116.98
CN1N=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000434346	0	31	-2.0	-113.45	312.29	5.30	-108.15
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=N1	REAL300000434347	0	37	-2.0	-113.16	345.02	4.74	-108.42
COC1=CC=C(OCCS(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434348	0	39	-2.0	-106.12	353.77	3.04	-103.08
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000434349	0	32	-2.0	-109.09	327.26	4.76	-104.33
CN1N=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000434350	0	28	-2.0	-95.93	289.44	3.67	-92.26
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434351	0	39	-2.0	-108.68	353.07	5.33	-103.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CN1C	REAL300000434352	0	35	-2.0	-114.06	331.62	3.59	-110.47
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434353	0	43	-2.0	-111.22	360.90	6.28	-104.94
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000434354	0	30	-3.0	-163.05	311.96	4.59	-158.46
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000434355	0	30	-3.0	-163.70	303.45	4.08	-159.62
CN1N=NN=C1C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1	REAL300000434356	0	36	-2.0	-120.60	336.92	2.90	-117.70
CN1N=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000434357	0	35	-2.0	-112.45	335.42	4.77	-107.68
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=NN1C1=CC=C(Cl)C=C1	REAL300000434358	0	38	-2.0	-106.67	364.66	5.56	-101.11
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434359	0	28	-2.0	-109.69	304.64	3.85	-105.84
CN1N=C([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)C=C1C(=O)[O-]	REAL300000434360	0	28	-2.0	-101.78	297.46	4.15	-97.63
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434361	0	38	-2.0	-119.73	338.07	3.73	-116.00
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC(C)=C1F	REAL300000434362	0	34	-2.0	-105.62	317.49	4.83	-100.79
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2)C=C1C(=O)[O-]	REAL300000434363	0	28	-2.0	-101.84	297.45	4.15	-97.69
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(Cl)=C1Cl	REAL300000434364	0	32	-2.0	-109.09	327.53	3.84	-105.25
CN1N=C([N-]S(=O)(=O)C2=CC=C3N=C(C(C)(C)C)SC3=C2)C=C1C(=O)[O-]	REAL300000434365	0	42	-2.0	-109.12	383.44	5.43	-103.69
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=N1	REAL300000434366	0	39	-2.0	-114.11	358.19	4.25	-109.86
CN1N=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C=C1C(=O)[O-]	REAL300000434367	0	31	-2.0	-104.43	315.27	1.54	-102.89
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(=O)[O-]	REAL300000434368	0	27	-3.0	-166.46	291.18	3.17	-163.29
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434369	0	37	-2.0	-119.03	335.00	4.74	-114.29
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434370	0	30	-3.0	-169.87	305.32	4.11	-165.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1F	REAL300000434371	0	33	-3.0	-178.08	324.68	4.75	-173.33
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300000434372	0	42	-2.0	-108.23	363.26	5.54	-102.69
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000434373	0	34	-3.0	-167.37	339.22	4.67	-162.70
CN1N=C([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000434374	0	30	-2.0	-112.44	320.88	6.16	-106.28
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CN1	REAL300000434375	0	32	-2.0	-111.34	313.85	1.83	-109.51
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000434376	0	30	-3.0	-164.89	304.38	4.12	-160.77
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300000434377	0	30	-3.0	-162.24	311.42	4.45	-157.79
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434378	0	31	-2.0	-108.10	290.83	4.32	-103.78
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1Br	REAL300000434379	0	31	-2.0	-108.98	309.95	4.68	-104.30
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000434380	0	37	-2.0	-108.75	341.29	4.67	-104.08
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CS1	REAL300000434381	0	31	-2.0	-110.15	317.73	3.15	-107.00
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000434382	0	34	-2.0	-103.53	329.78	4.16	-99.37
CC1=NC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434383	0	30	-2.0	-108.58	298.27	1.91	-106.67
CN1N=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C=C1C(=O)[O-]	REAL300000434384	0	32	-2.0	-116.75	312.71	4.66	-112.09
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1Br	REAL300000434385	0	32	-2.0	-104.64	320.36	3.46	-101.18
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434386	0	32	-2.0	-112.50	316.41	3.49	-109.01
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434387	0	36	-2.0	-99.38	328.80	5.82	-93.56
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1O	REAL300000434388	0	36	-2.0	-124.66	335.79	-0.35	-125.01
CCOC(=O)C1CCN(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)CC1	REAL300000434389	1	42	-2.0	-111.25	365.52	4.22	-107.03
CCOC(=O)N1CCN(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)CC1	REAL300000434390	1	41	-2.0	-105.06	358.72	2.35	-102.71
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434391	0	33	-3.0	-171.33	328.36	5.25	-166.08
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434392	0	34	-2.0	-107.45	324.67	5.26	-102.19
CC1=C(Br)SC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434393	0	28	-2.0	-104.64	303.66	3.81	-100.83
CCC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434394	0	34	-2.0	-112.99	313.34	4.92	-108.07
CN1N=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C=C1C(=O)[O-]	REAL300000434395	0	31	-2.0	-107.95	326.09	5.41	-102.54
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434396	0	31	-2.0	-108.31	298.27	4.22	-104.09
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000434397	0	38	-3.0	-161.63	362.66	5.46	-156.17
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434398	0	34	-2.0	-105.58	329.95	3.01	-102.57
CN1N=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=C1C(=O)[O-]	REAL300000434399	0	34	-2.0	-107.40	321.84	2.54	-104.86
CN1N=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434400	0	30	-3.0	-167.05	309.74	4.14	-162.91
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434401	0	32	-3.0	-163.68	327.10	4.71	-158.97
CN1N=C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C=C1C(=O)[O-]	REAL300000434402	0	31	-2.0	-113.14	323.81	5.36	-107.78
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434403	0	38	-2.0	-121.00	353.39	3.95	-117.05
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434404	0	40	-2.0	-115.26	357.22	5.47	-109.79
CN1N=C([N-]S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)C=C1C(=O)[O-]	REAL300000434405	0	39	-2.0	-110.34	347.89	4.74	-105.60
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000434406	0	31	-2.0	-107.57	302.66	4.25	-103.32
CN1N=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000434407	0	34	-2.0	-120.06	322.24	6.55	-113.51
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000434408	0	34	-2.0	-120.70	311.50	5.80	-114.90
CN1N=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1C(=O)[O-]	REAL300000434409	0	30	-2.0	-108.49	302.44	2.96	-105.53
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000434410	0	33	-2.0	-107.32	327.80	5.22	-102.10
CN1N=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000434411	0	32	-2.0	-100.21	327.11	4.67	-95.54
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434412	0	35	-2.0	-111.58	348.30	2.57	-109.01
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434413	0	31	-2.0	-108.00	303.61	4.80	-103.20
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C(=O)[O-]	REAL300000434414	0	31	-3.0	-177.92	308.63	1.77	-176.15
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1C(=O)[O-]	REAL300000434415	0	38	-2.0	-116.04	325.75	6.12	-109.92
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434416	0	33	-2.0	-111.44	334.38	2.88	-108.56
CN1N=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000434417	0	33	-3.0	-169.00	321.08	4.83	-164.17
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000434418	0	35	-2.0	-111.24	340.33	3.00	-108.24
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)O1	REAL300000434419	0	34	-2.0	-104.48	331.86	3.20	-101.28
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434420	0	30	-2.0	-100.15	305.07	4.22	-95.93
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434421	0	33	-2.0	-120.54	324.01	4.43	-116.11
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000434422	0	40	-2.0	-110.48	361.17	5.02	-105.46
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434423	0	33	-2.0	-101.98	326.20	5.32	-96.66
CN1N=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C=C1C(=O)[O-]	REAL300000434424	0	31	-2.0	-119.82	313.18	4.18	-115.64
COC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)SC=C1	REAL300000434425	0	29	-2.0	-119.44	292.62	1.75	-117.69
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434426	0	37	-2.0	-118.91	352.62	1.90	-117.01
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300000434427	0	34	-2.0	-110.29	327.23	4.59	-105.70
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000434428	0	31	-2.0	-112.72	300.22	3.88	-108.84
CC1=NC2=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000434429	0	36	-2.0	-130.51	331.97	4.72	-125.79
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=CC(Cl)=CC=C2S1	REAL300000434430	0	34	-2.0	-112.84	338.14	6.39	-106.45
CN1N=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)C=C1C(=O)[O-]	REAL300000434431	0	39	-2.0	-107.03	353.75	3.00	-104.03
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C(Br)S1	REAL300000434432	0	28	-2.0	-103.90	300.36	3.99	-99.91
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000434433	0	34	-2.0	-111.74	325.86	6.22	-105.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(Cl)C=C1F	REAL300000434434	0	34	-2.0	-101.95	342.84	4.72	-97.23
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC(F)=C1F	REAL300000434435	0	34	-2.0	-98.36	336.07	4.22	-94.14
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)SC2=CC=CC(F)=C12	REAL300000434436	0	34	-2.0	-114.44	329.32	5.60	-108.84
CN1N=C([N-]S(=O)(=O)C2=CC(Br)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000434437	0	29	-2.0	-101.85	312.57	4.49	-97.36
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1F	REAL300000434438	0	33	-2.0	-108.86	324.48	4.87	-103.99
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434439	0	30	-2.0	-116.16	303.69	2.25	-113.91
CN1N=C([N-]S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000434440	0	36	-2.0	-120.78	335.35	5.35	-115.43
CC1=NN2C=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=NC2=C1Cl	REAL300000434441	0	33	-2.0	-100.00	331.44	3.45	-96.55
CN1N=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C=C1C(=O)[O-]	REAL300000434442	0	28	-2.0	-115.49	290.09	4.42	-111.07
CN1N=C([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C=C1C(=O)[O-]	REAL300000434443	0	30	-2.0	-103.39	318.72	3.39	-100.00
CN1N=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C=C1C(=O)[O-]	REAL300000434444	0	28	-2.0	-100.19	285.42	2.43	-97.76
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)N=C1Cl	REAL300000434445	0	28	-2.0	-115.72	290.80	2.30	-113.42
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC(OC)=C1	REAL300000434446	0	36	-2.0	-114.37	329.43	2.09	-112.28
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434447	0	30	-3.0	-168.88	319.63	4.57	-164.31
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1C(=O)[O-]	REAL300000434448	0	29	-2.0	-116.46	286.29	2.22	-114.24
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1C	REAL300000434449	0	36	-2.0	-125.48	320.76	6.32	-119.16
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)S2)=CS1	REAL300000434450	0	34	-2.0	-110.34	349.90	4.04	-106.30
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C=C1C(=O)[O-]	REAL300000434451	0	29	-2.0	-101.77	292.67	1.32	-100.45
CC1=NC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434452	0	27	-2.0	-107.04	278.98	1.31	-105.73
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000434453	0	34	-2.0	-103.66	337.76	4.53	-99.13
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434454	0	33	-2.0	-101.02	318.25	4.98	-96.04
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434455	0	33	-3.0	-177.68	308.98	4.68	-173.00
COCCOCCS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434456	0	35	-2.0	-107.62	323.55	0.45	-107.17
CN1N=C([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000434457	0	35	-2.0	-129.44	335.06	1.35	-128.09
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000434458	0	33	-3.0	-177.97	323.75	4.70	-173.27
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434459	0	33	-3.0	-164.99	314.32	4.82	-160.17
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434460	0	34	-2.0	-116.47	329.46	4.63	-111.84
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C2F)N=C1	REAL300000434461	0	38	-2.0	-105.84	354.05	5.35	-100.49
CN1N=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C=C1C(=O)[O-]	REAL300000434462	0	29	-2.0	-107.94	299.74	4.16	-103.78
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(C)N1	REAL300000434463	0	41	-2.0	-110.71	366.47	4.17	-106.54
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000434464	0	31	-2.0	-110.51	302.67	4.26	-106.25
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000434465	0	34	-2.0	-99.85	325.99	4.23	-95.62
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000434466	0	36	-3.0	-183.97	331.80	5.11	-178.86
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C=C1C(=O)[O-]	REAL300000434467	0	34	-2.0	-121.79	328.19	6.30	-115.49
CN1N=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000434468	0	34	-2.0	-110.95	335.56	1.03	-109.92
CN1N=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434469	0	32	-3.0	-176.07	325.49	5.14	-170.93
CN1N=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=C1C(=O)[O-]	REAL300000434470	0	31	-2.0	-107.92	315.79	4.97	-102.95
CN1N=C([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C=C1C(=O)[O-]	REAL300000434471	0	28	-2.0	-103.02	302.95	4.22	-98.80
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1CC	REAL300000434472	0	40	-2.0	-113.50	347.52	6.05	-107.45
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000434473	0	30	-3.0	-167.53	310.67	4.17	-163.36
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1F	REAL300000434474	0	33	-2.0	-100.87	323.50	4.81	-96.06
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434475	0	34	-2.0	-116.56	332.41	5.40	-111.16
CN1N=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C1C(=O)[O-]	REAL300000434476	0	27	-2.0	-108.32	289.45	2.92	-105.40
COC(=O)C1=NC=CC2=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=CC=C12	REAL300000434477	0	39	-2.0	-108.67	357.18	4.49	-104.18
CC(C)N1C=NC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434478	0	34	-2.0	-118.18	315.90	3.87	-114.31
CN1N=C([N-]S(=O)(=O)C2=C(Cl)SC(S(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000434479	0	31	-2.0	-113.05	339.14	0.60	-112.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=N1	REAL300000434480	0	33	-2.0	-102.19	321.19	2.32	-99.87
CN1N=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000434481	0	27	-2.0	-100.07	295.88	2.67	-97.40
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000434482	0	36	-3.0	-182.12	333.39	5.43	-176.69
CN1N=C([N-]S(=O)(=O)C2=C3C=CC=C4C(=O)N(C)C(=C43)C=C2)C=C1C(=O)[O-]	REAL300000434483	0	39	-2.0	-111.63	356.22	5.41	-106.22
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434484	0	33	-3.0	-178.07	320.41	4.64	-173.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1Cl	REAL300000434485	0	33	-3.0	-176.70	330.68	5.17	-171.53
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434486	0	33	-3.0	-187.04	323.93	4.74	-182.30
CN1N=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000434487	0	33	-2.0	-101.11	324.55	5.55	-95.56
CN1N=CN=C1COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434488	0	41	-2.0	-113.38	377.89	5.05	-108.33
CN1N=C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C=C1C(=O)[O-]	REAL300000434489	0	28	-2.0	-98.62	297.69	3.96	-94.66
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434490	0	36	-2.0	-121.90	333.54	4.75	-117.15
COCCN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=N1	REAL300000434491	0	35	-2.0	-106.38	330.21	1.10	-105.28
CCN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300000434492	0	33	-2.0	-116.54	320.77	4.34	-112.20
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)C=C1C(=O)[O-]	REAL300000434493	0	28	-2.0	-107.01	293.34	4.27	-102.74
CC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1Br	REAL300000434494	0	31	-2.0	-113.16	305.14	4.76	-108.40
CCCCCCN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(=O)NC1=O	REAL300000434495	0	46	-2.0	-112.95	406.68	4.24	-108.71
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434496	0	36	-3.0	-182.74	333.20	5.23	-177.51
CN1N=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000434497	0	39	-2.0	-108.27	347.61	2.03	-106.24
CN(C1CCCC1)S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434498	1	36	-2.0	-108.38	309.33	3.36	-105.02
CN1N=C([N-]S(=O)(=O)N2CCC3(CCCCC3)CC2)C=C1C(=O)[O-]	REAL300000434499	1	46	-2.0	-108.62	357.49	5.18	-103.44
CC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1C#N	REAL300000434500	0	32	-2.0	-120.78	307.71	4.27	-116.51
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)C=C1C(=O)[O-]	REAL300000434501	0	31	-2.0	-103.50	322.33	5.03	-98.47
CN1N=C([N-]S(=O)(=O)C2=CC=C(Br)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000434502	0	28	-2.0	-102.28	306.58	4.57	-97.71
CCC(=O)NCC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1OC	REAL300000434503	0	45	-2.0	-113.96	401.37	2.65	-111.31
CCOC(=O)C1CC2=CC(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000434504	0	42	-2.0	-110.86	383.94	5.73	-105.13
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434505	0	33	-3.0	-164.65	318.97	4.00	-160.65
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C=C1C(=O)[O-]	REAL300000434506	0	37	-2.0	-111.13	343.45	5.13	-106.00
CCCN1C=NC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434507	0	34	-2.0	-118.23	317.78	4.24	-113.99
CN1N=C([N-]S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000434508	0	36	-2.0	-108.75	349.40	0.26	-108.49
CN1N=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1C(=O)[O-]	REAL300000434509	0	36	-2.0	-106.60	328.51	1.24	-105.36
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000434510	0	35	-2.0	-112.76	334.81	4.03	-108.73
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434511	0	36	-2.0	-109.96	343.88	5.56	-104.40
CC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1F	REAL300000434512	0	31	-2.0	-117.35	296.27	4.20	-113.15
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=N1	REAL300000434513	0	34	-2.0	-104.28	319.48	1.11	-103.17
CN1N=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000434514	0	35	-2.0	-122.46	316.40	3.51	-118.95
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1CC(=O)[O-]	REAL300000434515	0	37	-3.0	-180.91	349.38	4.18	-176.73
COCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434516	0	35	-2.0	-111.29	325.53	3.22	-108.07
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434517	0	33	-2.0	-114.27	309.72	0.47	-113.80
CC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1Cl	REAL300000434518	0	31	-2.0	-113.92	302.32	4.62	-109.30
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C=C1C(=O)[O-]	REAL300000434519	0	34	-2.0	-116.91	316.71	1.17	-115.74
CN1N=C([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)C=C1C(=O)[O-]	REAL300000434520	0	36	-2.0	-111.53	324.17	4.12	-107.41
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C2)CC1	REAL300000434521	0	41	-2.0	-111.41	368.80	6.11	-105.30
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434522	0	37	-2.0	-107.22	353.51	5.13	-102.09
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434523	0	35	-2.0	-110.57	317.05	3.50	-107.07
CCC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C(C(=O)OC)O1	REAL300000434524	0	37	-2.0	-104.76	347.44	3.90	-100.86
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434525	0	38	-2.0	-109.37	339.72	4.33	-105.04
CC1=C(C)SC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434526	0	31	-2.0	-111.70	304.08	3.90	-107.80
CN1N=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000434527	0	31	-2.0	-107.48	296.49	2.15	-105.33
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000434528	0	36	-2.0	-127.75	324.25	5.29	-122.46
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1C(=O)[O-]	REAL300000434529	0	34	-2.0	-120.93	319.75	5.51	-115.42
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000434530	0	41	-2.0	-126.42	363.61	4.81	-121.61
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000434531	0	34	-2.0	-101.86	339.05	1.57	-100.29
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434532	0	34	-2.0	-115.77	322.09	4.96	-110.81
CN1N=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000434533	0	30	-2.0	-97.45	303.21	4.18	-93.27
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)N3CCCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000434534	0	42	-2.0	-109.81	376.34	4.69	-105.12
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434535	0	33	-3.0	-170.01	325.18	5.23	-164.78
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000434536	0	28	-2.0	-102.38	293.59	4.07	-98.31
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(C)O1	REAL300000434537	0	34	-2.0	-104.81	328.32	3.04	-101.77
CN1N=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000434538	0	27	-2.0	-102.20	282.20	2.19	-100.01
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000434539	0	33	-3.0	-161.13	329.05	4.86	-156.27
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1Cl	REAL300000434540	0	33	-3.0	-177.37	330.14	5.01	-172.36
CCN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)N=C1C	REAL300000434541	0	34	-2.0	-121.68	316.22	3.27	-118.41
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434542	0	31	-2.0	-112.41	308.35	4.86	-107.55
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434543	0	31	-2.0	-113.21	305.00	4.71	-108.50
CCN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434544	0	34	-3.0	-179.08	326.94	4.27	-174.81
COC(=O)C1=COC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434545	0	31	-2.0	-108.70	310.34	2.23	-106.47
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434546	0	40	-2.0	-111.18	349.96	4.03	-107.15
COC1=CC(Br)=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434547	0	32	-2.0	-108.18	321.25	3.41	-104.77
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CN1C	REAL300000434548	0	38	-2.0	-113.67	353.48	4.52	-109.15
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434549	0	36	-2.0	-105.89	332.48	5.53	-100.36
CN1N=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300000434550	0	28	-2.0	-116.14	286.51	4.28	-111.86
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000434551	0	30	-2.0	-110.20	300.35	2.80	-107.40
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434552	0	33	-2.0	-110.11	319.49	3.69	-106.42
CN1N=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000434553	0	35	-2.0	-111.91	335.52	4.67	-107.24
CSC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000434554	0	32	-2.0	-107.52	325.65	4.96	-102.56
CCC1=NC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434555	0	30	-2.0	-106.54	300.47	2.07	-104.47
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C12	REAL300000434556	0	35	-2.0	-100.26	331.69	1.21	-99.05
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434557	0	30	-2.0	-105.14	308.60	3.82	-101.32
CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434558	0	38	-2.0	-115.22	353.82	0.01	-115.21
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000434559	0	31	-2.0	-100.23	311.31	1.46	-98.77
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000434560	0	37	-2.0	-107.69	346.39	4.45	-103.24
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000434561	0	43	-2.0	-108.20	384.20	3.93	-104.27
CN1N=C([N-]S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C=C1C(=O)[O-]	REAL300000434562	0	40	-2.0	-110.21	354.65	4.96	-105.25
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000434563	0	30	-2.0	-100.08	305.95	2.80	-97.28
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434564	0	34	-2.0	-107.65	331.65	4.21	-103.44
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=C1CC(=O)[O-]	REAL300000434565	0	42	-3.0	-184.95	364.06	6.92	-178.03
CN1N=C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)C=C1C(=O)[O-]	REAL300000434566	0	31	-2.0	-109.41	317.05	0.59	-108.82
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434567	0	43	-2.0	-110.18	368.85	4.94	-105.24
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=C1F	REAL300000434568	0	35	-2.0	-107.15	320.54	3.60	-103.55
CN1N=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C=C1C(=O)[O-]	REAL300000434569	0	29	-2.0	-103.96	304.34	4.43	-99.53
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=C1C(=O)[O-]	REAL300000434570	0	30	-3.0	-165.37	324.52	4.60	-160.77
CN1N=C([N-]S(=O)(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C=C1C(=O)[O-]	REAL300000434571	0	41	-2.0	-118.46	382.14	4.55	-113.91
CN1N=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000434572	0	31	-2.0	-120.66	298.38	3.80	-116.86
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434573	0	33	-2.0	-107.11	320.41	2.35	-104.76
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434574	0	39	-2.0	-121.26	360.60	3.59	-117.67
CN1N=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=C1C(=O)[O-]	REAL300000434575	0	25	-2.0	-104.25	274.83	2.21	-102.04
CC1=NC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(C2=CC=CC=C2)S1	REAL300000434576	0	37	-2.0	-123.29	353.62	4.89	-118.40
CC1=NC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300000434577	0	37	-2.0	-118.22	344.87	2.58	-115.64
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000434578	0	36	-2.0	-108.55	332.86	5.56	-102.99
CN1N=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Br)C=C1C(=O)[O-]	REAL300000434579	0	28	-2.0	-109.21	301.77	4.64	-104.57
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434580	0	38	-2.0	-119.19	334.04	5.26	-113.93
CN1N=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000434581	0	28	-2.0	-107.84	291.53	3.89	-103.95
CN1N=C([N-]S(=O)(=O)CC2CCCOC2)C=C1C(=O)[O-]	REAL300000434582	0	35	-2.0	-109.80	304.33	2.19	-107.61
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434583	0	36	-2.0	-113.96	321.96	3.89	-110.07
CN1N=C([N-]S(=O)(=O)CCC2=CC=CS2)C=C1C(=O)[O-]	REAL300000434584	0	31	-2.0	-107.57	306.03	4.05	-103.52
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434585	0	40	-2.0	-114.24	362.54	5.84	-108.40
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C=C1C(=O)[O-]	REAL300000434586	0	28	-2.0	-103.38	305.61	4.59	-98.79
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434587	0	28	-2.0	-104.24	299.44	3.71	-100.53
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000434588	0	38	-2.0	-112.63	353.44	3.95	-108.68
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000434589	0	31	-2.0	-111.52	302.64	4.36	-107.16
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C=C1C(=O)[O-]	REAL300000434590	0	31	-2.0	-106.23	314.69	4.55	-101.68
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434591	0	31	-2.0	-108.37	313.16	4.77	-103.60
CN1N=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000434592	0	31	-2.0	-106.64	309.53	2.34	-104.30
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434593	0	32	-2.0	-118.56	306.53	4.56	-114.00
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434594	0	39	-2.0	-133.20	353.76	3.37	-129.83
CN1N=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C=C1C(=O)[O-]	REAL300000434595	0	31	-2.0	-112.27	315.81	0.72	-111.55
COC(=O)C(CS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000434596	0	40	-2.0	-108.28	358.60	6.28	-102.00
CN1N=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000434597	0	36	-2.0	-105.10	339.89	4.78	-100.32
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434598	0	37	-2.0	-114.80	324.46	5.50	-109.30
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C=C1C(=O)[O-]	REAL300000434599	0	42	-2.0	-118.66	385.55	6.83	-111.83
COC(=O)C1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=CS1	REAL300000434600	0	34	-2.0	-121.82	325.67	4.68	-117.14
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000434601	0	32	-2.0	-103.86	306.17	2.86	-101.00
CN1N=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1C(=O)[O-]	REAL300000434602	0	27	-2.0	-118.32	283.14	3.90	-114.42
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434603	0	36	-2.0	-118.26	343.86	5.56	-112.70
CN1N=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C=C1C(=O)[O-]	REAL300000434604	0	33	-2.0	-105.54	314.83	2.61	-102.93
CN1N=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434605	0	27	-2.0	-101.66	291.62	3.24	-98.42
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C=C1C(=O)[O-]	REAL300000434606	0	37	-2.0	-112.64	331.56	4.94	-107.70
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434607	0	36	-2.0	-112.41	337.63	1.70	-110.71
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000434608	0	31	-2.0	-101.72	326.25	5.02	-96.70
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434609	0	39	-2.0	-111.50	345.08	2.35	-109.15
COC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000434610	0	34	-2.0	-99.05	333.93	4.32	-94.73
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000434611	0	38	-2.0	-103.58	360.16	2.73	-100.85
CN1N=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1C(=O)[O-]	REAL300000434612	0	32	-2.0	-113.98	298.58	2.93	-111.05
CN1N=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000434613	0	29	-2.0	-107.61	304.36	4.43	-103.18
CN1N=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000434614	0	31	-2.0	-108.60	314.41	2.55	-106.05
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434615	0	34	-2.0	-110.52	300.69	5.21	-105.31
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434616	0	36	-2.0	-125.84	324.43	4.02	-121.82
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434617	0	31	-2.0	-115.38	290.04	4.42	-110.96
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434618	0	31	-2.0	-104.97	307.23	4.87	-100.10
CN1N=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C=C1C(=O)[O-]	REAL300000434619	0	32	-2.0	-125.32	308.84	3.54	-121.78
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434620	0	41	-2.0	-110.06	360.64	4.94	-105.12
CN1N=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)C=C1C(=O)[O-]	REAL300000434621	0	28	-2.0	-107.86	297.25	4.17	-103.69
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=CC=C12	REAL300000434622	0	36	-2.0	-128.45	328.32	4.66	-123.79
CN1N=C([N-]S(=O)(=O)CCC(C)(C)C#N)C=C1C(=O)[O-]	REAL300000434623	0	34	-2.0	-107.85	310.41	3.25	-104.60
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000434624	0	32	-2.0	-114.50	321.71	0.78	-113.72
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000434625	0	29	-2.0	-118.64	295.22	1.79	-116.85
COC1=CN=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434626	0	31	-2.0	-107.65	295.03	0.96	-106.69
CN1N=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)C=C1C(=O)[O-]	REAL300000434627	0	28	-2.0	-112.64	296.55	4.16	-108.48
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000434628	0	38	-2.0	-107.03	352.52	4.20	-102.83
COCCOCCOCCS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434629	0	42	-2.0	-109.73	379.03	0.77	-108.96
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434630	0	38	-2.0	-125.98	359.38	0.81	-125.17
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1)OCO2	REAL300000434631	0	34	-2.0	-107.74	311.95	2.92	-104.82
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434632	0	34	-2.0	-110.70	320.65	4.70	-106.00
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434633	0	33	-3.0	-173.37	328.78	5.01	-168.36
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434634	0	38	-2.0	-110.46	340.39	3.31	-107.15
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434635	0	37	-2.0	-126.12	337.56	5.82	-120.30
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434636	0	36	-2.0	-110.46	328.92	1.73	-108.73
CN1N=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)C=C1C(=O)[O-]	REAL300000434637	0	34	-2.0	-119.33	331.67	5.02	-114.31
CN1N=C([N-]S(=O)(=O)CC2=CC=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000434638	0	31	-2.0	-108.72	311.03	4.69	-104.03
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434639	0	31	-2.0	-114.09	315.42	0.97	-113.12
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434639	1	30	-3.0	-172.37	312.13	-0.15	-172.52
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000434640	0	35	-2.0	-110.64	331.34	2.51	-108.13
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000434641	0	36	-2.0	-109.13	342.26	3.24	-105.89
CN1N=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000434642	0	32	-2.0	-106.62	315.92	3.13	-103.49
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000434643	0	31	-2.0	-100.23	314.77	4.55	-95.68
CN1N=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434644	0	39	-3.0	-176.50	348.35	6.13	-170.37
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(Br)=C1	REAL300000434645	0	32	-2.0	-109.43	316.40	3.49	-105.94
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)C=C1C(=O)[O-]	REAL300000434646	0	34	-2.0	-118.39	328.34	3.07	-115.32
CN1N=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300000434647	0	33	-2.0	-113.18	327.23	-0.90	-114.08
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C=C1C(=O)[O-]	REAL300000434648	0	32	-2.0	-117.14	303.34	4.74	-112.40
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000434649	0	39	-2.0	-110.74	361.82	0.58	-110.16
CN1N=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C=C1C(=O)[O-]	REAL300000434650	0	32	-2.0	-116.56	312.70	4.65	-111.91
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000434651	0	28	-2.0	-105.25	300.31	4.55	-100.70
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434652	0	34	-2.0	-104.30	306.97	5.23	-99.07
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(N)=NO1	REAL300000434653	0	29	-2.0	-100.46	276.88	0.89	-99.57
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Br)C=C1C(=O)[O-]	REAL300000434654	0	28	-2.0	-107.10	303.67	4.71	-102.39
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1)OCC(=O)N2	REAL300000434655	0	38	-2.0	-114.80	349.42	0.52	-114.28
CN1N=C([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C=C1C(=O)[O-]	REAL300000434656	0	28	-2.0	-103.42	300.45	4.87	-98.55
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Br)C=C1C(=O)[O-]	REAL300000434657	0	28	-2.0	-104.54	303.66	4.70	-99.84
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434658	0	32	-2.0	-114.68	315.44	3.80	-110.88
CN1N=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000434659	0	29	-2.0	-106.32	297.95	2.27	-104.05
CN1N=C([N-]S(=O)(=O)CCC2CC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300000434660	0	41	-2.0	-109.03	359.29	6.76	-102.27
CN1N=C([N-]S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000434661	0	39	-2.0	-111.49	352.42	4.19	-107.30
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434662	0	35	-2.0	-113.59	315.42	3.56	-110.03
CN1N=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Br)=C2)C=C1C(=O)[O-]	REAL300000434663	0	29	-2.0	-100.56	310.95	4.38	-96.18
CN1N=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000434664	0	30	-2.0	-99.44	324.25	5.08	-94.36
COC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000434665	0	35	-2.0	-107.90	331.02	4.13	-103.77
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434666	0	34	-2.0	-101.80	348.67	4.28	-97.52
CN1N=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000434667	0	30	-2.0	-102.05	320.35	4.72	-97.33
CN1N=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C=C1C(=O)[O-]	REAL300000434668	0	26	-2.0	-101.60	282.95	3.04	-98.56
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000434669	0	30	-2.0	-98.14	316.61	4.60	-93.54
CC1=CC(F)=C(Br)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434670	0	31	-2.0	-101.93	312.52	4.95	-96.98
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1C(=O)[O-]	REAL300000434671	0	33	-2.0	-110.91	311.64	3.85	-107.06
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434672	0	34	-3.0	-180.35	339.23	4.67	-175.68
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(F)=C1	REAL300000434673	0	34	-2.0	-109.75	330.70	4.21	-105.54
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000434674	0	34	-2.0	-104.91	329.76	4.17	-100.74
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434675	0	36	-2.0	-120.92	346.60	5.32	-115.60
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1C#N	REAL300000434676	0	32	-2.0	-103.58	310.44	4.38	-99.20
CN1N=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000434677	0	27	-2.0	-96.29	288.20	2.16	-94.13
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C=C1C(=O)[O-]	REAL300000434678	0	28	-2.0	-102.50	306.58	4.57	-97.93
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(F)=C1	REAL300000434679	0	32	-2.0	-113.13	305.43	2.85	-110.28
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1[N+](=O)[O-]	REAL300000434680	0	36	-2.0	-123.68	331.40	6.82	-116.86
CN1N=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000434681	0	34	-2.0	-111.38	331.44	5.27	-106.11
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434682	0	38	-2.0	-96.83	356.72	6.36	-90.47
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)C=C1C(=O)[O-]	REAL300000434683	0	34	-2.0	-110.28	316.14	4.01	-106.27
CN1N=C([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C=C1C(=O)[O-]	REAL300000434684	0	32	-2.0	-116.98	318.22	4.36	-112.62
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000434685	0	31	-2.0	-108.92	302.64	4.36	-104.56
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000434686	0	38	-2.0	-116.47	344.65	6.90	-109.57
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434687	0	37	-2.0	-115.79	352.58	5.12	-110.67
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CN1C	REAL300000434688	0	40	-2.0	-111.25	372.47	4.71	-106.54
CN1N=C([N-]S(=O)(=O)CCC2=CC=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000434689	0	34	-2.0	-107.58	332.53	5.47	-102.11
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(F)C=C1C	REAL300000434690	0	40	-2.0	-110.67	368.60	5.67	-105.00
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434691	0	42	-2.0	-121.84	382.00	1.68	-120.16
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434692	0	39	-2.0	-120.43	353.77	3.00	-117.43
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000434693	0	33	-3.0	-166.70	318.99	4.69	-162.01
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=N1	REAL300000434694	0	31	-2.0	-104.28	297.63	0.18	-104.10
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1C(=O)[O-]	REAL300000434695	0	28	-2.0	-110.86	292.67	4.07	-106.79
CN1N=C([N-]S(=O)(=O)CCCOCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000434696	0	41	-2.0	-109.65	371.33	5.02	-104.63
CN1N=C([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C=C1C(=O)[O-]	REAL300000434697	0	30	-2.0	-107.37	318.01	5.33	-102.04
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434698	0	39	-2.0	-110.75	349.31	4.52	-106.23
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C2CC1	REAL300000434699	0	45	-2.0	-120.12	383.62	5.46	-114.66
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434700	0	37	-2.0	-113.39	347.98	6.25	-107.14
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434701	0	37	-2.0	-113.12	343.81	5.96	-107.16
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000434702	0	31	-2.0	-109.44	313.05	5.40	-104.04
CN1N=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300000434703	0	31	-2.0	-113.33	307.02	4.84	-108.49
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434704	0	40	-2.0	-117.58	369.27	5.85	-111.73
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434705	0	34	-2.0	-124.96	331.15	5.53	-119.43
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000434706	0	37	-2.0	-111.09	341.55	3.50	-107.59
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434707	0	41	-2.0	-120.55	375.26	4.87	-115.68
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000434708	0	40	-2.0	-109.09	363.16	5.60	-103.49
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C=C1C(=O)[O-]	REAL300000434709	0	39	-2.0	-124.36	348.17	4.70	-119.66
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000434710	0	32	-2.0	-99.81	327.13	4.67	-95.14
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000434711	0	31	-2.0	-116.13	297.06	2.12	-114.01
CN1N=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2C#N)C=C1C(=O)[O-]	REAL300000434712	0	29	-2.0	-115.76	308.23	4.27	-111.49
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434713	0	34	-2.0	-103.31	325.00	5.27	-98.04
CCOC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434714	0	35	-2.0	-113.78	321.81	3.71	-110.07
CN1N=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000434715	0	28	-2.0	-112.12	292.80	4.34	-107.78
COC1=NC=C(Br)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434716	0	31	-2.0	-108.87	317.74	1.27	-107.60
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434717	0	34	-2.0	-136.16	314.86	1.08	-135.08
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000434718	0	37	-2.0	-114.26	337.75	6.42	-107.84
CN1N=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1C(=O)[O-]	REAL300000434719	0	25	-2.0	-109.76	278.43	2.93	-106.83
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434720	0	37	-2.0	-107.50	354.69	5.33	-102.17
CC1=CSC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434721	0	28	-2.0	-109.79	284.02	3.15	-106.64
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)NC3CC3)C=C2)C=C1C(=O)[O-]	REAL300000434722	0	43	-2.0	-115.65	392.06	4.04	-111.61
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434723	0	41	-2.0	-115.83	366.44	3.84	-111.99
CN1N=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1C(=O)[O-]	REAL300000434724	0	25	-2.0	-106.26	268.72	0.30	-105.96
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C=C1C(=O)[O-]	REAL300000434725	0	33	-2.0	-119.52	324.96	4.55	-114.97
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1C(=O)[O-]	REAL300000434726	0	27	-2.0	-105.16	277.37	1.60	-103.56
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434727	0	35	-2.0	-107.00	339.01	3.79	-103.21
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434728	0	37	-2.0	-105.40	334.98	2.55	-102.85
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=N1	REAL300000434729	0	37	-2.0	-104.82	339.62	2.04	-102.78
CN1N=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000434730	0	35	-3.0	-176.62	342.18	6.24	-170.38
COC1=CC=C2C=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)CCC2=C1	REAL300000434731	0	40	-2.0	-111.57	354.38	5.19	-106.38
CN1N=C([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)C=C1C(=O)[O-]	REAL300000434732	0	36	-2.0	-109.38	330.98	4.45	-104.93
CN1N=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1C(=O)[O-]	REAL300000434733	0	31	-2.0	-106.72	306.63	3.95	-102.77
CN1N=C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C=C1C(=O)[O-]	REAL300000434734	0	31	-2.0	-113.28	322.96	5.49	-107.79
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434735	0	33	-2.0	-120.79	311.61	3.09	-117.70
CC1=NSC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434736	0	27	-2.0	-103.23	278.94	1.78	-101.45
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000434737	0	30	-2.0	-107.46	314.10	5.48	-101.98
CN1N=C([N-]S(=O)(=O)C2=CNC(=O)S2)C=C1C(=O)[O-]	REAL300000434738	0	25	-2.0	-103.14	267.29	-0.63	-103.77
CN1N=C([N-]S(=O)(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300000434739	0	38	-2.0	-116.84	362.47	4.32	-112.52
CN1N=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C=C1C(=O)[O-]	REAL300000434740	0	32	-2.0	-108.02	318.95	2.19	-105.83
CN1N=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C=C1C(=O)[O-]	REAL300000434740	1	31	-3.0	-193.84	315.40	3.05	-190.79
CN1N=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000434741	0	34	-2.0	-105.28	326.37	4.90	-100.38
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)C=C1C(=O)[O-]	REAL300000434742	0	30	-2.0	-101.53	319.24	3.28	-98.25
CN1N=C([N-]S(=O)(=O)N=S2(=O)CCCC2)C=C1C(=O)[O-]	REAL300000434743	0	32	-2.0	-136.92	301.63	0.75	-136.17
CN1N=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000434744	0	35	-2.0	-111.34	319.68	5.59	-105.75
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434745	0	37	-2.0	-107.72	363.83	5.58	-102.14
CN1N=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1C(=O)[O-]	REAL300000434746	0	25	-2.0	-112.09	268.73	2.52	-109.57
CC1=CC2=CC(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000434747	0	37	-2.0	-107.21	341.52	3.22	-103.99
CN1N=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000434748	0	34	-2.0	-124.46	331.27	1.92	-122.54
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000434749	0	31	-2.0	-110.22	310.44	2.34	-107.88
CN1N=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000434750	0	37	-2.0	-110.52	335.29	5.08	-105.44
CN1N=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C=C1C(=O)[O-]	REAL300000434751	0	29	-2.0	-100.59	297.17	3.92	-96.67
COC(CS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000434752	0	38	-2.0	-111.51	345.93	4.50	-107.01
COC(=O)C1(CS(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)CCCCC1	REAL300000434753	0	43	-2.0	-115.51	356.73	4.95	-110.56
CN1N=C([N-]S(=O)(=O)CCC2=CC=CC=C2Br)C=C1C(=O)[O-]	REAL300000434754	0	34	-2.0	-110.49	332.00	5.40	-105.09
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000434755	0	33	-2.0	-102.57	320.15	4.73	-97.84
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434756	0	33	-3.0	-176.38	318.46	4.89	-171.49
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=C1C(=O)[O-]	REAL300000434757	0	29	-2.0	-108.99	303.34	2.78	-106.21
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000434758	0	32	-3.0	-190.48	322.66	5.91	-184.57
CN1N=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C=C1C(=O)[O-]	REAL300000434759	0	32	-2.0	-110.80	321.75	3.36	-107.44
CC1=CC2=CC(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=CC=C2N=C1Cl	REAL300000434760	0	36	-2.0	-107.04	346.93	4.88	-102.16
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(F)C=C1C	REAL300000434761	0	37	-2.0	-110.48	346.74	4.74	-105.74
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C1C(=O)[O-]	REAL300000434762	0	28	-2.0	-101.90	303.03	3.68	-98.22
CN1N=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1C(=O)[O-]	REAL300000434763	0	33	-2.0	-116.25	307.45	0.39	-115.86
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000434764	0	31	-2.0	-113.17	301.91	4.02	-109.15
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CN=C1C	REAL300000434765	0	36	-2.0	-102.75	336.69	2.83	-99.92
CN1N=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434766	0	29	-2.0	-99.73	293.83	2.35	-97.38
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434767	0	40	-2.0	-113.82	374.12	2.70	-111.12
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434768	0	30	-2.0	-101.35	298.01	2.87	-98.48
CC1=NC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(Br)N1C	REAL300000434769	0	31	-2.0	-119.81	312.22	2.87	-116.94
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000434770	0	34	-2.0	-103.82	324.88	5.00	-98.82
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434771	0	37	-2.0	-117.81	347.41	4.92	-112.89
CN1N=C([N-]S(=O)(=O)C2=CN=C(Cl)C(Br)=C2)C=C1C(=O)[O-]	REAL300000434772	0	27	-2.0	-97.47	301.77	2.67	-94.80
CN1N=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=C1C(=O)[O-]	REAL300000434773	0	30	-2.0	-100.99	310.21	3.35	-97.64
CN1N=C([N-]S(=O)(=O)N2CC3CCC2C3)C=C1C(=O)[O-]	REAL300000434774	1	34	-2.0	-112.39	297.70	3.03	-109.36
CCOC(=O)CC1(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)CC1	REAL300000434775	0	37	-2.0	-115.56	337.81	4.37	-111.19
C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434776	0	32	-2.0	-111.93	301.53	4.57	-107.36
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C(S(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000434777	0	34	-2.0	-112.55	340.98	1.42	-111.13
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434778	0	41	-2.0	-123.00	364.41	4.35	-118.65
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434779	0	35	-2.0	-108.66	342.25	3.72	-104.94
CN1N=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000434780	0	28	-2.0	-101.36	286.31	2.09	-99.27
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)OC(C)C	REAL300000434781	0	43	-2.0	-109.59	383.40	6.31	-103.28
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434782	0	36	-2.0	-107.28	319.46	3.37	-103.91
CN1N=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C=C1C(=O)[O-]	REAL300000434783	0	33	-2.0	-108.53	316.88	0.69	-107.84
CN1N=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000434784	0	28	-2.0	-107.26	286.12	1.01	-106.25
CN1N=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000434785	0	34	-2.0	-107.26	321.11	3.21	-104.05
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434786	0	41	-2.0	-108.59	380.30	3.85	-104.74
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434787	0	44	-2.0	-108.82	402.16	4.78	-104.04
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=CC=C12	REAL300000434788	0	42	-2.0	-116.46	364.92	5.65	-110.81
CN1N=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C=C1C(=O)[O-]	REAL300000434789	0	39	-2.0	-101.75	367.01	3.31	-98.44
COC(=O)C1(CS(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)CCCC1	REAL300000434790	0	40	-2.0	-115.34	343.83	4.65	-110.69
CN1N=C([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C=C1C(=O)[O-]	REAL300000434791	0	30	-2.0	-108.17	318.63	3.40	-104.77
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000434792	0	36	-2.0	-114.11	344.23	3.14	-110.97
CN1N=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C=C1C(=O)[O-]	REAL300000434793	0	36	-2.0	-100.64	341.60	2.05	-98.59
CN1N=C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000434794	0	35	-2.0	-116.92	326.43	3.24	-113.68
CN1N=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C=C1C(=O)[O-]	REAL300000434795	0	31	-2.0	-106.94	307.69	1.05	-105.89
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434796	0	41	-2.0	-113.75	366.09	4.52	-109.23
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000434797	0	32	-2.0	-104.61	315.98	3.34	-101.27
CN1N=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C=C1C(=O)[O-]	REAL300000434798	0	32	-2.0	-119.61	322.04	0.12	-119.49
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000434799	0	30	-3.0	-186.25	302.57	4.08	-182.17
CN1N=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C1C(=O)[O-]	REAL300000434800	0	25	-2.0	-114.37	269.81	1.49	-112.88
CN1N=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1C(=O)[O-]	REAL300000434801	0	30	-2.0	-122.70	301.65	2.90	-119.80
CN1N=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1C(=O)[O-]	REAL300000434802	0	33	-2.0	-114.17	306.26	3.32	-110.85
CN1N=C([N-]S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000434803	0	35	-2.0	-111.31	321.24	5.58	-105.73
CN1N=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000434804	0	34	-2.0	-119.69	320.96	5.80	-113.89
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C=C1C(=O)[O-]	REAL300000434805	0	31	-2.0	-115.08	310.60	2.55	-112.53
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434806	0	34	-2.0	-115.48	338.95	5.05	-110.43
CCC1=CC(CC)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(CC)=C1	REAL300000434807	0	46	-2.0	-110.82	375.23	8.37	-102.45
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000434808	0	33	-2.0	-112.89	327.75	5.89	-107.00
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434809	0	31	-2.0	-112.70	297.44	4.98	-107.72
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(F)C=C1Br	REAL300000434810	0	31	-2.0	-108.89	315.42	4.73	-104.16
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000434811	0	32	-2.0	-108.80	314.87	3.61	-105.19
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1C(=O)[O-]	REAL300000434812	0	33	-2.0	-122.01	306.77	3.28	-118.73
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000434813	0	37	-2.0	-113.26	352.87	4.98	-108.28
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=CC=CC(C)=C2S1	REAL300000434814	0	37	-2.0	-114.45	341.52	6.47	-107.98
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000434815	0	32	-2.0	-109.01	325.20	4.06	-104.95
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434816	0	41	-2.0	-111.72	359.86	4.85	-106.87
COC(CC(C)C)CS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434817	0	40	-2.0	-110.28	341.51	2.98	-107.30
CN1N=C([N-]S(=O)(=O)CCOCC2CC2)C=C1C(=O)[O-]	REAL300000434818	0	35	-2.0	-105.15	321.59	2.77	-102.38
CN1N=C([N-]S(=O)(=O)CCC2=CC=C(Cl)C=C2)C=C1C(=O)[O-]	REAL300000434819	0	34	-2.0	-106.10	332.53	5.48	-100.62
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(F)=C1	REAL300000434820	0	31	-2.0	-118.18	300.36	4.44	-113.74
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C1=CC=CC=C1	REAL300000434821	0	42	-2.0	-113.59	378.63	6.55	-107.04
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C1C(=O)[O-]	REAL300000434822	0	27	-2.0	-102.99	295.49	2.67	-100.32
CN1N=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1Br	REAL300000434823	0	28	-2.0	-104.93	294.04	1.64	-103.29
CN1N=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C=C1C(=O)[O-]	REAL300000434824	0	33	-2.0	-110.21	314.30	1.94	-108.27
CN1N=C([N-]S(=O)(=O)N=S(C)(=O)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000434825	0	35	-2.0	-132.49	332.64	2.21	-130.28
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434826	0	33	-3.0	-171.24	320.08	4.62	-166.62
COC(CS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1)C1CC1	REAL300000434827	0	35	-2.0	-109.78	316.08	2.74	-107.04
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434828	0	32	-2.0	-114.85	305.12	3.34	-111.51
CN1N=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C=C1C(=O)[O-]	REAL300000434829	0	31	-2.0	-100.90	310.05	2.59	-98.31
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000434830	0	36	-2.0	-109.32	332.91	5.32	-104.00
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434831	0	44	-2.0	-120.78	374.88	5.60	-115.18
COC(CS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1)C1CCOCC1	REAL300000434832	0	42	-2.0	-110.75	353.91	1.83	-108.92
COC1=NC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000434833	0	31	-2.0	-100.99	313.71	0.72	-100.27
CN1N=C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000434834	0	32	-2.0	-106.35	320.21	1.63	-104.72
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000434835	0	31	-2.0	-105.90	305.92	4.59	-101.31
CN1N=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000434836	0	34	-2.0	-120.52	318.55	4.47	-116.05
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000434837	0	37	-2.0	-109.77	356.69	4.96	-104.81
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1F	REAL300000434838	0	34	-2.0	-112.46	345.58	4.67	-107.79
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434839	0	37	-2.0	-116.78	351.00	4.83	-111.95
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C([N+](=O)[O-])S1	REAL300000434840	0	30	-2.0	-118.13	305.04	4.70	-113.43
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434841	0	33	-2.0	-125.07	311.04	-0.60	-125.67
CN1N=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000434842	0	30	-2.0	-101.14	308.94	3.50	-97.64
CN1N=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=C1C(=O)[O-]	REAL300000434843	0	31	-2.0	-105.51	312.45	1.68	-103.83
CN1N=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1C(=O)[O-]	REAL300000434844	0	27	-2.0	-113.43	270.96	1.67	-111.76
CN1N=C([N-]S(=O)(=O)CCC2CCCCC2)C=C1C(=O)[O-]	REAL300000434845	0	40	-2.0	-108.01	336.59	5.13	-102.88
CN1N=C([N-]S(=O)(=O)CCC2CCCC2)C=C1C(=O)[O-]	REAL300000434846	0	37	-2.0	-107.99	320.10	4.55	-103.44
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000434847	0	27	-2.0	-100.75	271.85	1.64	-99.11
CN1N=C([N-]S(=O)(=O)CCOCC2CCC2)C=C1C(=O)[O-]	REAL300000434848	0	38	-2.0	-105.14	338.16	3.30	-101.84
CN1N=C([N-]S(=O)(=O)C2=CC(C3=CC=C([N+](=O)[O-])C=C3)=NO2)C=C1C(=O)[O-]	REAL300000434849	0	36	-2.0	-99.89	355.58	5.15	-94.74
CN1N=C([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)C=C1C(=O)[O-]	REAL300000434850	0	30	-2.0	-108.82	321.03	3.46	-105.36
CN1N=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C=C1C(=O)[O-]	REAL300000434851	0	26	-2.0	-114.73	280.85	2.88	-111.85
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434852	0	35	-2.0	-115.67	336.39	5.27	-110.40
CN1N=C([N-]S(=O)(=O)N2CCCOCC2)C=C1C(=O)[O-]	REAL300000434853	1	34	-2.0	-112.64	296.23	1.23	-111.41
COC(CS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1)C(C)C	REAL300000434854	0	37	-2.0	-110.31	321.05	2.38	-107.93
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000434855	0	28	-2.0	-101.95	293.04	4.05	-97.90
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C1C(=O)[O-]	REAL300000434856	0	37	-2.0	-118.67	332.15	3.85	-114.82
CN1N=C([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C=C1C(=O)[O-]	REAL300000434857	0	35	-2.0	-115.98	335.57	1.34	-114.64
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1C(=O)[O-]	REAL300000434858	0	36	-2.0	-121.57	322.64	4.70	-116.87
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434859	0	38	-2.0	-110.92	346.65	2.38	-108.54
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(F)=C1	REAL300000434860	0	37	-2.0	-109.17	352.56	5.14	-104.03
COC1CCN(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)CC1	REAL300000434861	1	37	-2.0	-109.04	321.42	1.67	-107.37
CN1N=C([N-]S(=O)(=O)CCC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300000434862	0	34	-2.0	-106.32	322.21	5.03	-101.29
CN1N=C([N-]S(=O)(=O)CCC2=CC=CC=C2F)C=C1C(=O)[O-]	REAL300000434863	0	34	-2.0	-111.73	321.36	4.99	-106.74
CN1N=C([N-]S(=O)(=O)CCC2=CC=CC=C2Cl)C=C1C(=O)[O-]	REAL300000434864	0	34	-2.0	-110.69	328.47	5.33	-105.36
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1)C(=O)NCCC2	REAL300000434865	0	43	-2.0	-125.96	374.82	2.37	-123.59
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)S2)C1	REAL300000434866	0	39	-2.0	-111.25	360.78	3.96	-107.29
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434867	0	43	-2.0	-114.87	380.33	5.83	-109.04
CCC1CCN(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)CC1	REAL300000434868	1	39	-2.0	-108.41	328.04	3.92	-104.49
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000434869	0	28	-2.0	-102.76	308.48	4.62	-98.14
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434870	0	35	-2.0	-122.03	326.38	0.92	-121.11
CN1N=C([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)C=C1C(=O)[O-]	REAL300000434871	0	31	-2.0	-114.11	298.87	0.19	-113.92
CC(C)OC1(CS(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)CCOC1	REAL300000434872	0	42	-2.0	-112.12	348.90	2.16	-109.96
CN1N=C([N-]S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C=C1C(=O)[O-]	REAL300000434873	0	40	-2.0	-110.14	354.68	4.91	-105.23
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=C2)=N1	REAL300000434874	0	40	-2.0	-113.61	363.52	3.39	-110.22
COC(=O)C1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000434875	0	34	-2.0	-110.65	319.67	2.57	-108.08
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000434876	0	39	-2.0	-114.11	355.19	2.58	-111.53
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434877	0	33	-2.0	-97.36	326.19	5.33	-92.03
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000434878	0	36	-2.0	-107.38	352.36	2.38	-105.00
COC(CS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300000434879	0	38	-2.0	-115.93	341.04	4.75	-111.18
CCOC(CS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1)C1CC1	REAL300000434880	0	38	-2.0	-111.07	334.59	3.77	-107.30
CN1N=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000434881	0	35	-2.0	-118.78	336.93	5.28	-113.50
COC(=O)C1=CC=CC2=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=CC=C12	REAL300000434882	0	40	-2.0	-112.52	361.57	6.32	-106.20
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1F	REAL300000434883	0	34	-2.0	-111.97	335.26	4.23	-107.74
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=C(Cl)C=C21	REAL300000434884	0	39	-2.0	-121.55	362.82	5.09	-116.46
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434885	0	41	-2.0	-114.28	360.48	5.15	-109.13
COC(CS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1)C1CCCC1	REAL300000434886	0	41	-2.0	-109.75	345.01	4.13	-105.62
COC(CS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1)C1CCCCC1	REAL300000434887	0	44	-2.0	-108.53	361.44	4.27	-104.26
CN1N=C([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000434888	0	41	-2.0	-109.40	372.89	5.80	-103.60
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000434889	0	33	-2.0	-116.75	315.72	5.59	-111.16
CCC1=NC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CN1CC1CC1	REAL300000434890	0	41	-2.0	-121.95	369.32	5.43	-116.52
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)O1	REAL300000434891	0	34	-2.0	-104.96	327.89	2.85	-102.11
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C2C1	REAL300000434892	0	39	-2.0	-117.36	355.45	4.05	-113.31
CN1N=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1C(=O)[O-]	REAL300000434893	0	31	-2.0	-107.48	310.20	2.99	-104.49
CCCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(C)C	REAL300000434894	0	47	-2.0	-110.63	401.90	6.54	-104.09
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=C1[N+](=O)[O-]	REAL300000434895	0	36	-2.0	-106.58	334.52	5.80	-100.78
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434896	0	36	-3.0	-189.70	339.96	6.17	-183.53
CN1N=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C=C1C(=O)[O-]	REAL300000434897	0	31	-2.0	-96.65	311.88	2.09	-94.56
CN1N=C([N-]S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000434898	0	39	-2.0	-112.03	371.05	7.58	-104.45
CC1=CC(Br)=C(F)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434899	0	31	-2.0	-102.15	312.52	4.94	-97.21
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1C(=O)[O-]	REAL300000434900	0	27	-2.0	-105.84	287.83	2.09	-103.75
CN1N=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=C1C(=O)[O-]	REAL300000434901	0	38	-2.0	-123.42	336.56	6.89	-116.53
CN1N=C([N-]S(=O)(=O)CCC2=C(F)C=CC=C2F)C=C1C(=O)[O-]	REAL300000434902	0	34	-2.0	-113.53	326.43	5.01	-108.52
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(F)=C1F	REAL300000434903	0	31	-2.0	-113.82	302.58	4.26	-109.56
CN1N=C([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C=C1C(=O)[O-]	REAL300000434904	0	27	-2.0	-105.91	292.42	2.17	-103.74
CN1N=C([N-]S(=O)(=O)C2=CC=CC(NC(=O)C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000434905	0	35	-2.0	-120.35	345.98	2.78	-117.57
COC(=O)C1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)OC=C1	REAL300000434906	0	31	-2.0	-117.80	302.59	2.94	-114.86
CCC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(C)C=C1OC	REAL300000434907	0	41	-2.0	-111.29	356.69	5.06	-106.23
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000434908	0	34	-2.0	-103.09	341.66	5.36	-97.73
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434909	0	36	-2.0	-120.78	340.95	4.50	-116.28
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=N1	REAL300000434910	0	30	-2.0	-123.01	297.55	2.48	-120.53
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2NC(=O)C(F)(F)F)C=C1C(=O)[O-]	REAL300000434911	0	35	-2.0	-104.47	340.53	3.30	-101.17
CCCCN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=N1	REAL300000434912	0	40	-2.0	-108.70	358.38	4.24	-104.46
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(OC)C=C1F	REAL300000434913	0	38	-2.0	-109.04	357.92	3.97	-105.07
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434914	0	41	-2.0	-110.48	366.27	4.92	-105.56
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(=O)[O-]	REAL300000434915	0	29	-3.0	-177.76	295.13	2.17	-175.59
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434916	0	32	-2.0	-110.28	303.20	3.63	-106.65
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(C)C	REAL300000434917	0	44	-2.0	-111.22	380.41	5.74	-105.48
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000434918	0	40	-2.0	-108.20	348.67	5.74	-102.46
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000434919	0	29	-2.0	-101.91	297.69	3.95	-97.96
CN1N=C([N-]S(=O)(=O)N=S(C)(=O)C2=CC=CC=C2F)C=C1C(=O)[O-]	REAL300000434920	0	35	-2.0	-134.70	339.08	2.34	-132.36
CN1N=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000434921	0	31	-2.0	-105.60	304.79	2.13	-103.47
CN1N=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1C(=O)[O-]	REAL300000434922	0	30	-2.0	-109.29	293.72	2.53	-106.76
CN1N=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300000434923	0	32	-2.0	-119.00	304.19	3.45	-115.55
CN1N=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C=C1C(=O)[O-]	REAL300000434924	0	38	-2.0	-107.48	331.45	3.60	-103.88
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300000434925	0	40	-2.0	-108.11	338.83	4.09	-104.02
CCC(C)(C)CCS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434926	0	39	-2.0	-108.28	325.34	4.14	-104.14
CN1N=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000434927	0	38	-2.0	-108.46	337.86	3.84	-104.62
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434928	0	31	-2.0	-101.43	304.77	2.37	-99.06
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(Br)=N1	REAL300000434929	0	28	-2.0	-108.66	295.70	1.69	-106.97
CN1N=C([N-]S(=O)(=O)C2CC2C2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300000434930	0	35	-2.0	-117.08	319.27	5.69	-111.39
CN1N=C([N-]S(=O)(=O)C2(COCC3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300000434931	0	42	-2.0	-116.43	373.41	6.42	-110.01
CN1N=C([N-]S(=O)(=O)N=S(C)(=O)C2CCCCC2)C=C1C(=O)[O-]	REAL300000434932	0	41	-2.0	-134.40	358.10	2.89	-131.51
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)N3CCCC3)=C2)C=C1C(=O)[O-]	REAL300000434933	0	42	-2.0	-104.70	376.35	4.69	-100.01
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1C(=O)[O-]	REAL300000434934	0	29	-2.0	-108.95	286.64	1.25	-107.70
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1C(=O)[O-]	REAL300000434934	1	28	-3.0	-195.20	283.07	2.12	-193.08
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000434935	0	38	-2.0	-111.08	347.65	6.27	-104.81
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434936	0	31	-2.0	-124.23	301.46	1.15	-123.08
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434937	0	34	-2.0	-108.92	313.31	2.64	-106.28
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000434938	0	33	-2.0	-110.18	316.24	3.97	-106.21
CCCCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(C)C	REAL300000434939	0	50	-2.0	-110.44	423.41	7.32	-103.12
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C#N)=C1	REAL300000434940	0	32	-2.0	-118.47	309.96	4.43	-114.04
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434941	0	32	-2.0	-117.61	301.94	4.71	-112.90
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000434942	0	31	-2.0	-104.79	307.13	4.39	-100.40
CN1N=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCCC(=O)N3)C=C1C(=O)[O-]	REAL300000434943	0	39	-2.0	-114.44	359.20	4.16	-110.28
CN(C)S(=O)(=NS(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000434944	0	40	-2.0	-133.58	363.88	2.77	-130.81
CN1N=C([N-]S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000434945	0	32	-2.0	-107.05	319.09	5.18	-101.87
CCCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(C)(C)C	REAL300000434946	0	50	-2.0	-111.64	414.48	7.20	-104.44
CCCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1CC	REAL300000434947	0	44	-2.0	-110.02	384.99	6.00	-104.02
CN1N=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C=C1C(=O)[O-]	REAL300000434948	0	35	-2.0	-115.03	334.20	5.44	-109.59
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434949	0	34	-2.0	-105.17	317.30	5.66	-99.51
COC1=NSC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434950	0	28	-2.0	-100.20	289.69	-0.72	-100.92
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434951	0	42	-2.0	-128.49	371.18	3.13	-125.36
CN1N=C([N-]S(=O)(=O)CC2CCCC(C)(C)O2)C=C1C(=O)[O-]	REAL300000434952	0	41	-2.0	-114.59	343.23	3.64	-110.95
CN1N=C([N-]S(=O)(=O)CCC(C)(C)C2CC2)C=C1C(=O)[O-]	REAL300000434953	0	40	-2.0	-108.35	334.83	4.89	-103.46
CN1N=C([N-]S(=O)(=O)C=CC2=CC=CC=C2Cl)C=C1C(=O)[O-]	REAL300000434954	0	32	-2.0	-111.04	316.60	5.09	-105.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434955	0	34	-3.0	-170.12	327.12	3.85	-166.27
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C(C(N)=O)O1	REAL300000434956	0	32	-2.0	-108.51	311.80	-0.94	-109.45
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434957	0	37	-2.0	-111.34	322.19	5.99	-105.35
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)OC	REAL300000434958	0	40	-2.0	-108.11	376.17	5.13	-102.98
CN1N=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1C(=O)[O-]	REAL300000434959	0	28	-2.0	-105.75	290.68	3.40	-102.35
CN1N=C([N-]S(=O)(=O)CCC2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300000434960	0	34	-2.0	-107.92	322.21	5.03	-102.89
CN1N=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000434961	0	27	-3.0	-164.28	299.05	3.02	-161.26
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434962	0	44	-2.0	-109.92	383.98	6.27	-103.65
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1C(=O)[O-]	REAL300000434963	0	33	-2.0	-120.82	306.70	3.99	-116.83
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434964	0	35	-2.0	-111.87	331.87	3.68	-108.19
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C=C1C(=O)[O-]	REAL300000434965	0	29	-2.0	-113.81	296.25	3.91	-109.90
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000434966	0	31	-2.0	-100.53	325.02	2.77	-97.76
CN1N=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC(C)(C)C3=C2)C=C1C(=O)[O-]	REAL300000434967	0	42	-2.0	-109.46	366.01	3.56	-105.90
CN1N=C([N-]S(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)C=C1C(=O)[O-]	REAL300000434968	0	43	-2.0	-134.09	381.14	6.14	-127.95
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C21	REAL300000434969	0	42	-2.0	-133.78	371.28	5.42	-128.36
CN1N=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000434970	0	35	-2.0	-108.48	320.35	3.17	-105.31
CN1N=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1C(=O)[O-]	REAL300000434971	0	35	-2.0	-106.72	317.35	3.37	-103.35
CN1N=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1C(=O)[O-]	REAL300000434972	0	38	-2.0	-105.61	339.66	4.09	-101.52
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000434973	0	40	-2.0	-111.72	361.25	6.33	-105.39
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434974	0	41	-2.0	-122.24	375.24	4.86	-117.38
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1C(=O)[O-]	REAL300000434975	0	28	-3.0	-190.93	309.40	3.12	-187.81
CN1N=C([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)C=C1C(=O)[O-]	REAL300000434976	0	33	-2.0	-114.74	322.46	2.49	-112.25
CN1N=C([N-]S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C=C1C(=O)[O-]	REAL300000434976	1	32	-3.0	-200.99	318.91	3.46	-197.53
CN1N=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C=C1C(=O)[O-]	REAL300000434977	0	39	-2.0	-116.43	345.48	1.48	-114.95
CN1N=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C=C1C(=O)[O-]	REAL300000434978	0	34	-2.0	-109.75	337.30	4.39	-105.36
CN1N=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C1C(=O)[O-]	REAL300000434979	0	34	-2.0	-108.74	321.18	0.72	-108.02
CN1N=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C1C(=O)[O-]	REAL300000434980	0	25	-2.0	-107.99	271.12	2.21	-105.78
COC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000434981	0	32	-2.0	-100.23	316.33	3.03	-97.20
CN1N=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1C(=O)[O-]	REAL300000434982	0	35	-2.0	-112.01	314.84	3.51	-108.50
COC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000434983	0	32	-2.0	-108.46	311.65	2.92	-105.54
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000434984	0	44	-2.0	-113.48	374.00	5.53	-107.95
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434985	0	38	-2.0	-116.77	344.91	4.88	-111.89
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434986	0	31	-2.0	-108.28	295.19	4.16	-104.12
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=C2O1	REAL300000434987	0	36	-2.0	-123.03	327.67	4.06	-118.97
CN1N=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C=C1C(=O)[O-]	REAL300000434988	0	36	-2.0	-107.65	339.13	3.15	-104.50
CN1N=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C=C1C(=O)[O-]	REAL300000434989	0	36	-2.0	-113.05	338.71	5.69	-107.36
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434990	0	32	-2.0	-114.09	306.91	4.15	-109.94
CC1=C(Br)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(C)S1	REAL300000434991	0	31	-2.0	-108.99	315.37	4.90	-104.09
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C21	REAL300000434992	0	45	-2.0	-134.44	380.25	5.51	-128.93
CN1N=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000434993	0	34	-2.0	-117.15	324.15	4.12	-113.03
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C21	REAL300000434994	0	42	-2.0	-110.24	367.59	4.97	-105.27
CN1N=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1C(=O)[O-]	REAL300000434995	0	25	-2.0	-108.58	275.87	2.92	-105.66
CN1N=C([N-]S(=O)(=O)C2=CC(Br)=NN2C)C=C1C(=O)[O-]	REAL300000434996	0	28	-2.0	-98.46	292.41	1.61	-96.85
CN1N=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000434997	0	30	-2.0	-100.95	304.35	2.64	-98.31
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434998	0	33	-2.0	-125.78	312.21	3.08	-122.70
CCN1N=NC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000434999	0	30	-2.0	-99.34	286.67	0.78	-98.56
CN1N=C([N-]S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C=C1C(=O)[O-]	REAL300000435000	1	37	-2.0	-111.27	316.30	3.47	-107.80
CN1N=C([N-]S(=O)(=O)C2=CNC3=CC(Br)=CC=C32)C=C1C(=O)[O-]	REAL300000435001	0	32	-2.0	-113.39	325.47	4.05	-109.34
CN1N=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1C(=O)[O-]	REAL300000435002	0	29	-2.0	-99.73	285.34	2.27	-97.46
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1C(=O)[O-]	REAL300000435003	0	31	-2.0	-112.94	309.29	4.92	-108.02
CN1N=C([N-]S(=O)(=O)C2=CNC3=C(Br)C=CC=C23)C=C1C(=O)[O-]	REAL300000435004	0	32	-2.0	-112.21	325.51	4.05	-108.16
CN1N=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C1C(=O)[O-]	REAL300000435005	0	31	-2.0	-125.27	315.36	3.19	-122.08
CN1N=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C=C1C(=O)[O-]	REAL300000435006	0	35	-2.0	-103.84	321.37	3.26	-100.58
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=C1F	REAL300000435007	0	37	-2.0	-107.58	325.55	5.78	-101.80
COC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1OC	REAL300000435008	0	36	-2.0	-115.35	326.20	3.42	-111.93
CN1N=C([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000435009	0	37	-2.0	-117.89	338.78	0.71	-117.18
CN1N=C([N-]S(=O)(=O)C2=CC=C(Br)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000435010	0	29	-2.0	-101.02	310.95	4.39	-96.63
CN1N=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300000435011	0	31	-2.0	-113.47	300.22	3.76	-109.71
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1OC	REAL300000435012	0	36	-2.0	-119.58	329.94	3.81	-115.77
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000435013	0	41	-2.0	-112.96	359.26	4.38	-108.58
CN1N=C([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000435014	0	32	-2.0	-115.64	321.32	5.41	-110.23
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000435015	0	35	-2.0	-111.74	325.76	3.41	-108.33
CN1N=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C=C1C(=O)[O-]	REAL300000435016	0	32	-2.0	-110.65	309.70	3.07	-107.58
CN1N=C([N-]S(=O)(=O)C2=CNC3=CC=C(Br)C=C32)C=C1C(=O)[O-]	REAL300000435017	0	32	-2.0	-118.26	325.56	4.06	-114.20
CN1N=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000435018	0	31	-2.0	-119.00	299.89	2.70	-116.30
CN1N=NC2=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=CC=C21	REAL300000435019	0	33	-2.0	-129.50	315.00	1.88	-127.62
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1Br	REAL300000435020	0	34	-2.0	-109.28	325.03	5.47	-103.81
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=C21	REAL300000435021	0	35	-2.0	-112.31	311.40	5.40	-106.91
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CN=C1N	REAL300000435022	0	32	-2.0	-110.48	298.46	1.20	-109.28
COC1=NSC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435023	0	28	-2.0	-108.29	287.75	-0.65	-108.94
CN1N=C([N-]S(=O)(=O)N2CCCC(C)(C)C2)C=C1C(=O)[O-]	REAL300000435024	1	39	-2.0	-110.17	324.90	3.90	-106.27
CN1N=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C=C1C(=O)[O-]	REAL300000435025	0	34	-2.0	-103.31	338.69	4.62	-98.69
CN1N=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1C(=O)[O-]	REAL300000435026	0	31	-2.0	-109.15	304.17	3.87	-105.28
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000435027	0	38	-2.0	-112.25	341.97	3.89	-108.36
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000435028	0	46	-2.0	-116.14	384.69	7.41	-108.73
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000435029	0	34	-2.0	-107.60	341.65	5.36	-102.24
CN1N=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1C(=O)[O-]	REAL300000435030	0	25	-2.0	-108.06	276.29	3.02	-105.04
CN1N=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000435031	0	38	-2.0	-108.87	344.43	4.13	-104.74
CN1N=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1C(=O)[O-]	REAL300000435032	0	32	-2.0	-115.54	307.47	4.67	-110.87
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C=C1C(=O)[O-]	REAL300000435033	0	39	-2.0	-117.93	368.97	6.31	-111.62
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000435034	0	41	-2.0	-120.22	360.27	1.89	-118.33
COC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000435035	0	37	-2.0	-137.52	335.90	4.70	-132.82
CCCC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000435036	0	37	-2.0	-113.18	334.84	5.70	-107.48
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000435037	0	34	-2.0	-101.83	326.73	1.82	-100.01
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C=C1C(=O)[O-]	REAL300000435038	0	29	-2.0	-113.96	294.95	3.83	-110.13
CN1N=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C=C1C(=O)[O-]	REAL300000435039	0	35	-2.0	-108.01	315.13	3.06	-104.95
CN1N=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000435040	0	32	-2.0	-97.12	326.89	4.83	-92.29
CN1N=C([N-]S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)C=C1C(=O)[O-]	REAL300000435041	1	34	-2.0	-109.99	298.37	2.91	-107.08
COC(=O)C1=CC2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000435042	0	40	-2.0	-110.57	371.14	6.39	-104.18
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435043	0	34	-2.0	-111.94	300.58	5.16	-106.78
CN1N=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C=C1C(=O)[O-]	REAL300000435044	0	37	-2.0	-102.68	317.30	3.40	-99.28
CN1N=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000435045	0	37	-2.0	-109.15	334.95	3.20	-105.95
CN1N=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1C(=O)[O-]	REAL300000435046	0	35	-2.0	-109.31	319.74	2.55	-106.76
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000435047	0	33	-2.0	-100.57	321.37	3.30	-97.27
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000435048	0	39	-2.0	-108.22	344.72	4.30	-103.92
CN1N=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000435049	0	30	-2.0	-94.32	309.48	4.23	-90.09
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000435050	0	31	-2.0	-101.35	315.92	4.56	-96.79
CN1N=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1C(=O)[O-]	REAL300000435051	0	31	-2.0	-110.80	298.45	4.30	-106.50
CN1N=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C1C(=O)[O-]	REAL300000435052	0	28	-2.0	-109.84	292.01	3.87	-105.97
CN1N=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000435053	0	28	-2.0	-102.47	302.20	3.58	-98.89
CN1N=C([N-]S(=O)(=O)N2CCC(F)(F)CC2)C=C1C(=O)[O-]	REAL300000435054	1	33	-2.0	-102.00	300.37	2.78	-99.22
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000435055	0	31	-2.0	-100.48	322.35	4.91	-95.57
CC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1C	REAL300000435056	0	34	-2.0	-112.69	302.95	4.80	-107.89
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1C(=O)[O-]	REAL300000435057	0	31	-2.0	-109.87	298.24	4.52	-105.35
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000435058	0	39	-2.0	-121.44	355.03	5.52	-115.92
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C=C1C(=O)[O-]	REAL300000435059	0	39	-2.0	-114.31	339.14	6.56	-107.75
CN1N=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)C=C1C(=O)[O-]	REAL300000435060	0	38	-2.0	-114.36	350.69	5.17	-109.19
CN1N=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C=C1C(=O)[O-]	REAL300000435061	0	34	-2.0	-106.16	332.91	4.52	-101.64
CN1N=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000435062	0	33	-2.0	-108.12	329.24	3.97	-104.15
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000435063	0	37	-2.0	-111.63	348.88	5.14	-106.49
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C=C1C(=O)[O-]	REAL300000435064	0	29	-2.0	-110.70	303.06	4.33	-106.37
CN1N=C([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)C=C1C(=O)[O-]	REAL300000435065	0	37	-2.0	-117.94	344.58	3.46	-114.48
CN1N=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000435066	0	28	-2.0	-111.05	290.46	3.73	-107.32
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000435067	0	35	-2.0	-113.00	319.68	5.59	-107.41
COC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=CS1	REAL300000435068	0	29	-2.0	-115.29	292.72	1.93	-113.36
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000435069	0	31	-2.0	-109.29	302.72	4.95	-104.34
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000435070	0	34	-2.0	-105.88	335.43	3.80	-102.08
CN1N=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1C(=O)[O-]	REAL300000435071	0	35	-2.0	-114.65	325.17	5.65	-109.00
CN1N=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1C(=O)[O-]	REAL300000435072	0	38	-2.0	-105.76	335.20	4.09	-101.67
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435073	0	37	-2.0	-104.92	330.41	3.38	-101.54
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000435074	0	37	-2.0	-117.17	341.66	1.00	-116.17
CN1N=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)C=C1C(=O)[O-]	REAL300000435075	0	31	-2.0	-117.35	324.40	-0.02	-117.37
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C2=N1	REAL300000435076	0	33	-2.0	-121.27	314.06	1.84	-119.43
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435077	0	40	-2.0	-128.46	361.39	7.17	-121.29
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1C(=O)[O-]	REAL300000435078	0	28	-2.0	-102.72	294.31	2.70	-100.02
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435079	0	32	-2.0	-106.99	311.40	3.40	-103.59
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C2CCOCC2)=N1	REAL300000435080	0	42	-2.0	-110.93	368.79	2.62	-108.31
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C=C1C(=O)[O-]	REAL300000435081	0	34	-2.0	-111.27	323.66	5.02	-106.25
CN1N=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000435082	0	32	-2.0	-110.61	309.70	3.06	-107.55
CN1N=C([N-]S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300000435083	1	43	-2.0	-108.92	365.92	6.16	-102.76
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000435084	0	29	-2.0	-107.57	294.24	1.93	-105.64
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000435085	0	39	-2.0	-129.30	341.90	5.78	-123.52
CN1N=C([N-]S(=O)(=O)N2CCC(C(F)(F)F)CC2)C=C1C(=O)[O-]	REAL300000435086	1	36	-2.0	-105.50	325.94	3.61	-101.89
CN1N=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1C(=O)[O-]	REAL300000435087	0	31	-2.0	-105.63	303.13	2.19	-103.44
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000435088	0	38	-2.0	-113.81	347.37	4.17	-109.64
CN1N=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)C=C1C(=O)[O-]	REAL300000435089	0	31	-2.0	-105.89	322.14	2.94	-102.95
CN1N=C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C=C1C(=O)[O-]	REAL300000435090	0	38	-2.0	-105.86	350.14	4.68	-101.18
CN1N=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1C(=O)[O-]	REAL300000435091	0	41	-2.0	-108.04	356.84	4.43	-103.61
CN1N=C([N-]S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000435092	0	39	-2.0	-108.19	359.13	6.33	-101.86
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1C(=O)[O-]	REAL300000435093	0	31	-2.0	-113.81	291.02	4.46	-109.35
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435094	0	40	-2.0	-117.34	358.36	6.13	-111.21
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC(C)=C1Br	REAL300000435095	0	34	-2.0	-107.11	328.16	5.23	-101.88
CN1N=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1C(=O)[O-]	REAL300000435096	0	31	-2.0	-115.22	297.45	3.83	-111.39
CN1N=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1C(=O)[O-]	REAL300000435097	0	30	-2.0	-112.52	301.40	2.88	-109.64
CCN1N=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=N1	REAL300000435098	0	30	-2.0	-107.76	291.16	0.35	-107.41
CCN1N=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1Cl	REAL300000435099	0	31	-2.0	-105.79	312.14	2.41	-103.38
CN1N=C([N-]S(=O)(=O)C=CC2=CC=CC=C2Br)C=C1C(=O)[O-]	REAL300000435100	0	32	-2.0	-110.83	320.62	5.18	-105.65
CN1N=C([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C=C1C(=O)[O-]	REAL300000435101	0	28	-2.0	-109.17	300.25	4.39	-104.78
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C=C1C(=O)[O-]	REAL300000435102	0	30	-2.0	-104.35	311.46	2.77	-101.58
CN1N=C([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C=C1C(=O)[O-]	REAL300000435103	0	33	-2.0	-123.48	326.92	4.66	-118.82
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1C(=O)[O-]	REAL300000435104	0	25	-2.0	-103.95	270.20	2.10	-101.85
CN1N=C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C=C1C(=O)[O-]	REAL300000435105	0	33	-2.0	-120.66	323.65	4.46	-116.20
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000435106	0	37	-2.0	-121.38	329.23	6.33	-115.05
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)C=C1C(=O)[O-]	REAL300000435107	0	35	-2.0	-111.05	328.37	3.86	-107.19
CN1N=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)C(=O)N3C)C=C1C(=O)[O-]	REAL300000435108	0	42	-2.0	-107.53	375.03	5.01	-102.52
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C1C(=O)[O-]	REAL300000435109	0	28	-2.0	-105.56	298.01	4.10	-101.46
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)O1	REAL300000435110	0	34	-2.0	-120.74	334.11	-0.23	-120.97
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300000435111	0	38	-2.0	-114.13	347.88	4.91	-109.22
CN1N=C([N-]S(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C=C1C(=O)[O-]	REAL300000435112	0	34	-2.0	-112.55	342.66	0.82	-111.73
CN1N=C([N-]S(=O)(=O)C=CC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300000435113	0	32	-2.0	-106.38	308.77	4.73	-101.65
CN1N=C([N-]S(=O)(=O)C=CC2=CC=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000435114	0	32	-2.0	-106.96	323.66	5.28	-101.68
CN1N=C([N-]S(=O)(=O)C=CC2=CC=C(Br)C=C2)C=C1C(=O)[O-]	REAL300000435115	0	32	-2.0	-105.97	323.65	5.29	-100.68
CN1N=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1C(=O)[O-]	REAL300000435116	0	32	-2.0	-111.12	314.27	4.80	-106.32
CN1N=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C=C1C(=O)[O-]	REAL300000435117	0	50	-2.0	-115.40	400.15	7.67	-107.73
CN1N=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000435118	0	31	-2.0	-100.58	315.91	4.30	-96.28
COC1=CC=C(C=C(C)S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000435119	0	39	-2.0	-109.67	348.08	4.59	-105.08
CN1N=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C=C1C(=O)[O-]	REAL300000435120	0	24	-2.0	-99.84	275.51	1.85	-97.99
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000435121	0	38	-2.0	-110.90	357.12	5.38	-105.52
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=NN1	REAL300000435122	0	34	-2.0	-108.31	330.81	1.27	-107.04
COC1=CSC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1OC	REAL300000435123	0	33	-2.0	-111.72	323.40	1.49	-110.23
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000435124	0	28	-3.0	-164.88	307.03	2.51	-162.37
CN1N=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000435125	0	27	-2.0	-96.08	288.09	2.12	-93.96
CN1N=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C=C1C(=O)[O-]	REAL300000435126	0	32	-2.0	-109.84	318.76	4.49	-105.35
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000435127	0	32	-2.0	-109.58	315.95	3.13	-106.45
CN1N=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C=C1C(=O)[O-]	REAL300000435128	0	34	-2.0	-108.28	313.85	3.47	-104.81
COC(=O)C1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C(F)C(F)=C1F	REAL300000435129	0	34	-2.0	-100.16	341.41	4.29	-95.87
CN1C=CC2=CC(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000435130	0	35	-2.0	-118.17	324.17	5.25	-112.92
CN1N=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000435131	0	31	-2.0	-112.92	301.14	4.88	-108.04
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C=C1C(=O)[O-]	REAL300000435132	0	37	-2.0	-105.84	349.32	3.98	-101.86
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=C1C(=O)[O-]	REAL300000435133	0	25	-2.0	-99.40	295.52	3.58	-95.82
CN1N=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1Cl	REAL300000435134	0	28	-2.0	-105.48	290.33	1.55	-103.93
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435135	0	41	-2.0	-111.80	362.60	5.87	-105.93
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300000435136	0	45	-2.0	-108.66	388.88	5.40	-103.26
CN1N=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)C=C1C(=O)[O-]	REAL300000435137	0	31	-2.0	-105.50	326.73	4.90	-100.60
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000435138	0	33	-2.0	-108.53	321.90	4.12	-104.41
CN1N=C([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000435139	0	39	-2.0	-113.40	359.19	6.33	-107.07
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000435140	0	34	-2.0	-124.14	308.28	5.32	-118.82
CN1N=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C=C1C(=O)[O-]	REAL300000435141	0	33	-2.0	-107.80	325.31	2.08	-105.72
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C=C1C(=O)[O-]	REAL300000435142	0	29	-2.0	-112.10	311.96	2.28	-109.82
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000435143	0	37	-2.0	-113.40	351.42	2.55	-110.85
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)S1	REAL300000435143	1	36	-3.0	-173.61	348.11	1.43	-172.18
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435144	0	30	-2.0	-101.44	298.20	2.88	-98.56
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000435145	0	39	-2.0	-114.64	353.79	5.10	-109.54
CCN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000435146	0	38	-2.0	-111.93	347.26	4.28	-107.65
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000435147	0	32	-2.0	-117.73	308.69	2.83	-114.90
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C=C1C(=O)[O-]	REAL300000435148	0	34	-2.0	-109.34	333.09	6.26	-103.08
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(=O)NC(=O)N1	REAL300000435149	0	31	-2.0	-113.37	293.52	-0.79	-114.16
CC(=O)OC1CCN(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C1	REAL300000435150	1	36	-2.0	-108.37	330.23	2.68	-105.69
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000435151	0	38	-2.0	-110.63	361.39	7.42	-103.21
COC(=O)C1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000435152	0	31	-2.0	-115.21	326.76	4.42	-110.79
CCC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=CC=C1Br	REAL300000435153	0	34	-2.0	-106.22	329.48	5.36	-100.86
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000435154	0	41	-2.0	-107.87	358.54	4.57	-103.30
CN1N=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1C(=O)[O-]	REAL300000435155	0	25	-2.0	-107.06	269.22	1.99	-105.07
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1C(=O)[O-]	REAL300000435156	0	25	-2.0	-104.58	279.26	3.00	-101.58
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000435157	0	42	-2.0	-119.79	375.27	3.78	-116.01
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C=C1C(=O)[O-]	REAL300000435158	0	34	-2.0	-115.12	329.31	6.33	-108.79
CN1N=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C=C1C(=O)[O-]	REAL300000435159	0	36	-2.0	-105.22	322.73	1.23	-103.99
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1C(=O)[O-]	REAL300000435160	0	35	-2.0	-115.78	314.01	5.66	-110.12
CN1N=C([N-]S(=O)(=O)N2CCC(C)(C)CC2)C=C1C(=O)[O-]	REAL300000435161	1	39	-2.0	-108.66	323.33	3.55	-105.11
CC(=O)OCC1CCN(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)CC1	REAL300000435162	1	42	-2.0	-110.99	365.64	4.28	-106.71
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435163	1	42	-2.0	-123.40	381.70	3.64	-119.76
CN1N=C([N-]S(=O)(=O)N2CCN(CC(F)F)CC2)C=C1C(=O)[O-]	REAL300000435164	1	38	-2.0	-109.26	334.45	1.34	-107.92
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C)=N1	REAL300000435165	0	34	-2.0	-104.14	313.30	0.92	-103.22
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435166	0	34	-2.0	-115.45	317.86	1.32	-114.13
CN1N=C([N-]S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000435167	0	43	-2.0	-109.22	372.33	3.87	-105.35
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435168	0	31	-2.0	-108.98	313.17	1.16	-107.82
COC1=NC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000435169	0	34	-2.0	-105.25	317.77	0.90	-104.35
CC(C)CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=N1	REAL300000435170	0	37	-2.0	-107.92	333.39	3.64	-104.28
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435171	0	37	-2.0	-109.47	335.87	3.14	-106.33
CN1N=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C1C(=O)[O-]	REAL300000435172	0	27	-2.0	-109.00	298.11	1.43	-107.57
CN1N=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C=C1C(=O)[O-]	REAL300000435173	0	26	-2.0	-111.83	282.50	2.82	-109.01
CN1N=C([N-]S(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000435174	0	32	-2.0	-106.00	333.32	5.60	-100.40
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435175	0	34	-2.0	-104.35	312.18	2.75	-101.60
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000435176	0	36	-2.0	-102.71	337.23	2.86	-99.85
CN1N=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C(=O)[O-]	REAL300000435177	0	37	-3.0	-172.19	345.04	5.93	-166.26
CN1N=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000435178	0	31	-2.0	-117.17	312.31	5.30	-111.87
CN1N=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1C(=O)[O-]	REAL300000435179	0	35	-2.0	-105.91	324.45	3.49	-102.42
CN1N=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000435180	0	35	-2.0	-109.97	324.16	4.64	-105.33
COC1=NOC(CS(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000435181	0	31	-2.0	-105.76	302.23	-0.25	-106.01
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=NN1C(C)C	REAL300000435182	0	37	-2.0	-109.62	334.95	3.24	-106.38
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=C1C(=O)[O-]	REAL300000435183	0	35	-2.0	-119.05	330.31	5.69	-113.36
CN1N=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000435184	0	30	-2.0	-106.01	297.80	2.52	-103.49
CN1N=C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)C=C1C(=O)[O-]	REAL300000435185	0	28	-2.0	-109.83	309.11	-0.32	-110.15
CC(C)C1CC(CS(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C1	REAL300000435186	0	40	-2.0	-109.83	341.15	5.08	-104.75
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300000435187	0	42	-2.0	-108.51	379.26	7.05	-101.46
CN1N=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000435188	0	35	-2.0	-113.14	331.96	5.72	-107.42
CN1N=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C=C1C(=O)[O-]	REAL300000435189	0	32	-2.0	-113.27	320.91	3.95	-109.32
CN1N=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C(=O)[O-]	REAL300000435190	0	37	-3.0	-180.26	344.35	5.93	-174.33
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435191	0	37	-2.0	-116.17	336.64	5.21	-110.96
CN1N=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C1C(=O)[O-]	REAL300000435192	0	31	-2.0	-120.48	310.11	4.48	-116.00
CN1N=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000435193	0	32	-2.0	-122.09	318.51	2.74	-119.35
CN1N=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=C1C(=O)[O-]	REAL300000435194	0	35	-2.0	-119.33	326.28	5.79	-113.54
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(Cl)=C1Cl	REAL300000435195	0	31	-2.0	-110.29	317.49	5.08	-105.21
CN1N=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C=C1C(=O)[O-]	REAL300000435196	0	32	-2.0	-105.91	321.93	3.34	-102.57
CN1N=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000435197	0	35	-2.0	-110.30	338.39	4.54	-105.76
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C(C(F)F)=C1	REAL300000435198	0	35	-2.0	-117.59	320.90	4.08	-113.51
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C1C(=O)OC	REAL300000435199	0	41	-2.0	-109.33	374.39	5.11	-104.22
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=NN(C)C(C(=O)[O-])=C3)C=C2C1	REAL300000435200	0	41	-2.0	-114.83	369.82	6.01	-108.82
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435201	0	33	-2.0	-119.05	311.23	3.08	-115.97
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435202	0	34	-2.0	-107.57	335.54	1.67	-105.90
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435203	0	34	-2.0	-111.42	338.24	5.45	-105.97
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)[O-])=C1	REAL300000435204	0	34	-2.0	-128.73	323.13	5.01	-123.72
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000435205	0	36	-2.0	-129.07	328.18	4.65	-124.42
CCC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000435206	0	33	-3.0	-170.44	321.04	4.05	-166.39
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000435207	0	41	-2.0	-121.81	359.90	5.49	-116.32
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000435208	0	28	-2.0	-103.94	295.73	3.87	-100.07
CN1N=C([N-]S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C=C1C(=O)[O-]	REAL300000435209	0	35	-2.0	-112.52	343.16	4.44	-108.08
CN1N=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1C(=O)[O-]	REAL300000435210	0	35	-2.0	-110.76	316.18	2.81	-107.95
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300000435211	0	31	-2.0	-116.47	297.37	4.21	-112.26
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000435212	0	38	-2.0	-114.10	357.75	4.91	-109.19
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000435213	0	38	-2.0	-128.35	357.71	4.91	-123.44
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000435214	0	41	-2.0	-129.04	374.22	5.44	-123.60
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000435215	0	35	-2.0	-121.79	350.95	3.93	-117.86
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000435216	0	41	-2.0	-125.39	368.40	5.55	-119.84
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000435217	0	39	-2.0	-126.15	364.37	4.27	-121.88
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000435218	0	35	-2.0	-122.84	349.45	3.94	-118.90
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000435219	0	38	-2.0	-119.23	360.66	4.07	-115.16
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000435220	0	35	-2.0	-116.63	350.02	4.03	-112.60
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000435221	0	38	-3.0	-231.52	363.38	3.53	-227.99
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000435221	1	39	-2.0	-124.99	365.95	2.70	-122.29
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000435222	0	41	-2.0	-116.96	379.93	5.68	-111.28
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000435223	0	41	-2.0	-124.78	370.12	5.61	-119.17
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000435224	0	41	-2.0	-112.52	368.36	5.54	-106.98
CCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)OC)NC=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000435225	0	42	-2.0	-126.94	385.69	5.13	-121.81
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000435226	0	41	-2.0	-114.22	373.90	5.48	-108.74
COC(=O)C1=CNC(C(=O)OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000435227	0	37	-2.0	-126.69	353.44	3.05	-123.64
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1F)NC(=O)CC2	REAL300000435231	1	40	-2.0	-115.63	355.45	4.15	-111.48
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(F)C=C3NC(=O)CCC3=C2)=C1	REAL300000435237	1	36	-2.0	-107.16	332.79	4.41	-102.75
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(F)C=C3NC(=O)CCC3=C2)=C1	REAL300000435239	0	33	-2.0	-103.71	320.50	3.37	-100.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)CC3)=C1	REAL300000435244	1	36	-2.0	-99.78	336.46	4.04	-95.74
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)CC3)C=C(C(=O)[O-])O1	REAL300000435249	1	36	-2.0	-104.21	330.33	3.49	-100.72
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)CC3)=C1	REAL300000435250	1	40	-2.0	-108.97	356.24	3.44	-105.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=C3NC(=O)CCC3=C2)S1	REAL300000435255	1	33	-2.0	-98.52	319.57	3.48	-95.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)CC3)=C1F	REAL300000435257	1	39	-2.0	-108.62	353.08	5.05	-103.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=C3NC(=O)CCC3=C2)C(F)=C1	REAL300000435258	1	36	-2.0	-96.06	332.78	4.41	-91.65
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(F)C=C3NC(=O)CCC3=C2)=C1	REAL300000435260	0	37	-2.0	-103.66	337.14	2.29	-101.37
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)CC3)C=C1C(=O)[O-]	REAL300000435267	1	39	-2.0	-109.62	352.64	5.05	-104.57
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)CC3)=C1	REAL300000435268	1	39	-2.0	-112.86	352.34	5.04	-107.82
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=C(F)C=C3NC(=O)CCC3=C2)=CC=C1	REAL300000435273	1	36	-2.0	-112.03	330.95	4.37	-107.66
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(F)C=C3NC(=O)CCC3=C2)=C1	REAL300000435275	0	35	-2.0	-107.06	323.55	2.47	-104.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=C3NC(=O)CCC3=C2)=C(Cl)O1	REAL300000435277	1	33	-2.0	-97.70	327.42	3.33	-94.37
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)CC3)C=C(C(=O)[O-])O1	REAL300000435278	1	39	-2.0	-104.37	349.45	4.34	-100.03
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000435279	0	37	-2.0	-100.47	352.72	2.44	-98.03
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(OC)=N1	REAL300000435280	0	37	-2.0	-90.91	348.18	2.42	-88.49
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(OC)=N1	REAL300000435281	0	37	-2.0	-102.54	348.19	2.41	-100.13
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(OC)=N1	REAL300000435282	0	41	-2.0	-107.32	376.33	2.21	-105.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(OC)=N1	REAL300000435283	0	41	-2.0	-90.75	379.65	3.69	-87.06
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000435284	0	40	-2.0	-103.51	364.21	2.94	-100.57
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(OC)=N1	REAL300000435285	0	43	-2.0	-104.86	380.58	3.72	-101.14
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(OC)=N1	REAL300000435286	0	37	-2.0	-99.32	353.66	2.47	-96.85
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(OC)=N1	REAL300000435287	0	43	-2.0	-89.83	391.76	3.99	-85.84
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(OC)=N1	REAL300000435288	0	34	-2.0	-97.13	341.38	1.43	-95.70
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(OC)=N1	REAL300000435289	0	40	-2.0	-103.19	363.62	3.19	-100.00
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(OC)=N1	REAL300000435290	0	41	-2.0	-89.43	379.27	2.68	-86.75
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000435291	0	38	-2.0	-100.96	354.84	1.76	-99.20
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(OC)=N1	REAL300000435292	0	41	-2.0	-103.99	371.97	1.25	-102.74
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(OC)=N1	REAL300000435293	0	37	-2.0	-93.38	357.32	2.09	-91.29
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(OC)=N1	REAL300000435294	0	43	-2.0	-105.68	383.64	3.83	-101.85
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(OC)=N1	REAL300000435295	0	34	-2.0	-98.51	339.84	1.44	-97.07
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000435296	0	41	-2.0	-108.37	375.48	2.48	-105.89
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC)N=C1OC	REAL300000435297	0	43	-2.0	-101.66	378.31	4.13	-97.53
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(OC)=N1	REAL300000435298	0	37	-2.0	-96.70	351.19	1.55	-95.15
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(OC)=N1	REAL300000435299	0	41	-2.0	-103.92	377.11	1.50	-102.42
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(OC)=N1	REAL300000435300	0	40	-2.0	-94.48	368.49	3.24	-91.24
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(OC)=N1	REAL300000435301	0	37	-2.0	-99.86	356.81	2.30	-97.56
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(OC)=N1	REAL300000435302	0	37	-2.0	-90.71	352.72	2.45	-88.26
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(OC)=N1	REAL300000435303	0	34	-2.0	-92.29	340.44	1.53	-90.76
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(OC)=N1	REAL300000435304	0	37	-2.0	-93.75	354.59	2.47	-91.28
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(OC)=N1	REAL300000435305	0	40	-2.0	-100.58	373.95	3.11	-97.47
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(OC)=N1	REAL300000435306	0	37	-2.0	-90.20	353.65	2.49	-87.71
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(OC)=N1	REAL300000435307	0	37	-3.0	-194.84	354.33	1.00	-193.84
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(OC)=N1	REAL300000435307	1	38	-2.0	-101.89	357.90	0.12	-101.77
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(OC)=N1	REAL300000435308	0	40	-2.0	-93.78	370.36	3.18	-90.60
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(OC)=N1	REAL300000435309	0	40	-2.0	-99.22	358.23	3.04	-96.18
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000435310	0	40	-2.0	-101.66	373.03	3.06	-98.60
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(OC)=N1	REAL300000435311	0	40	-2.0	-91.16	363.60	3.19	-87.97
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000435312	0	43	-2.0	-105.20	381.07	3.48	-101.72
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(OC)=N1	REAL300000435313	0	43	-2.0	-103.32	382.67	3.80	-99.52
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(OC)=N1	REAL300000435314	0	40	-2.0	-101.54	373.50	3.10	-98.44
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(OC)=N1	REAL300000435315	0	40	-2.0	-107.40	373.22	3.09	-104.31
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)N=C2OC)C=C1C(=O)[O-]	REAL300000435316	0	43	-2.0	-104.14	382.51	3.60	-100.54
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)N=C2OC)C=C1C(=O)[O-]	REAL300000435317	0	41	-2.0	-102.19	376.20	2.63	-99.56
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(OC)=N1	REAL300000435318	0	40	-2.0	-90.93	364.20	2.95	-87.98
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(OC)=N1	REAL300000435319	0	40	-2.0	-101.32	367.72	3.24	-98.08
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(OC)=N1	REAL300000435320	0	37	-2.0	-106.82	351.82	2.43	-104.39
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(OC)=N1	REAL300000435321	0	40	-2.0	-95.49	373.14	3.09	-92.40
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(OC)=N1	REAL300000435322	0	36	-2.0	-100.05	344.40	0.53	-99.52
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(OC)=N1	REAL300000435323	0	41	-2.0	-94.63	376.39	2.22	-92.41
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(OC)=N1	REAL300000435324	0	34	-2.0	-90.84	348.29	1.39	-89.45
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)N=C2OC)C=C(C(=O)[O-])O1	REAL300000435325	0	40	-2.0	-96.47	370.32	2.41	-94.06
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1	REAL300000435326	0	39	-2.0	-91.30	353.59	3.64	-87.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC=C1F	REAL300000435327	0	32	-2.0	-107.56	301.67	5.08	-102.48
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2NC=CC2=CC=C1	REAL300000435328	0	40	-2.0	-109.36	356.75	6.13	-103.23
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435329	0	32	-2.0	-105.45	313.55	5.75	-99.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1	REAL300000435330	0	32	-2.0	-97.49	297.11	5.06	-92.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435331	0	32	-2.0	-110.36	297.12	5.05	-105.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2NC=CC2=CC=C1	REAL300000435332	0	36	-2.0	-116.39	325.26	4.84	-111.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC=C1Br	REAL300000435333	0	32	-2.0	-105.72	313.38	5.54	-100.18
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1	REAL300000435334	0	36	-2.0	-97.34	328.58	6.34	-91.00
CC1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000435335	0	35	-2.0	-111.58	313.14	5.58	-106.00
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435336	0	32	-2.0	-106.16	310.20	5.60	-100.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC=C1Cl	REAL300000435337	0	32	-2.0	-106.08	309.64	5.44	-100.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C(Cl)C=C1Cl	REAL300000435338	0	32	-2.0	-101.75	322.69	5.99	-95.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1C	REAL300000435339	0	38	-2.0	-113.58	329.52	6.35	-107.23
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435340	0	32	-2.0	-108.11	302.59	5.10	-103.01
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1	REAL300000435341	0	38	-2.0	-96.83	340.70	6.63	-90.20
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435342	0	29	-2.0	-104.65	290.31	4.06	-100.59
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2NC=CC2=CC=C1	REAL300000435343	0	35	-2.0	-111.74	312.56	5.82	-105.92
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1	REAL300000435344	0	36	-2.0	-95.97	328.20	5.33	-90.64
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=C4NC=CC4=CC=C3)C=C2)C1	REAL300000435345	0	43	-2.0	-92.71	373.96	6.12	-86.59
CN1C=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000435346	0	33	-2.0	-108.57	303.77	4.39	-104.18
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2NC=CC2=CC=C1	REAL300000435347	1	36	-2.0	-112.43	320.90	3.88	-108.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435348	0	32	-2.0	-100.44	306.23	4.72	-95.72
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000435349	0	38	-2.0	-114.28	332.57	6.46	-107.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CS1	REAL300000435350	0	29	-2.0	-106.08	288.77	4.08	-102.00
COC1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC(C(=O)[O-])=C1OC	REAL300000435351	0	40	-2.0	-110.59	355.44	4.86	-105.73
COC1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000435352	0	36	-2.0	-116.20	324.41	5.12	-111.08
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435353	0	42	-2.0	-115.66	352.36	7.68	-107.98
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2NC=CC2=CC=C1	REAL300000435354	0	41	-2.0	-113.89	351.02	7.05	-106.84
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2NC=CC2=CC=C1	REAL300000435355	0	38	-2.0	-109.95	327.25	6.77	-103.18
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2NC=CC2=CC=C1	REAL300000435356	0	39	-2.0	-116.57	347.55	5.61	-110.96
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435357	0	34	-3.0	-185.29	325.53	5.61	-179.68
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C3NC=CC3=CC=C2)=C1	REAL300000435357	1	35	-2.0	-110.88	325.85	5.51	-105.37
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435358	0	39	-2.0	-116.05	341.37	6.94	-109.11
CC1=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C(C(=O)[O-])O1	REAL300000435359	0	32	-2.0	-104.28	300.13	4.18	-100.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC2=C1OCCO2	REAL300000435360	0	38	-2.0	-115.08	339.29	4.82	-110.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435361	0	36	-2.0	-110.38	326.04	4.14	-106.24
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=C4NC=CC4=CC=C3)C=C2C1	REAL300000435362	0	40	-2.0	-97.43	350.76	5.66	-91.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC(Cl)=C1Cl	REAL300000435363	0	32	-2.0	-99.73	324.80	5.90	-93.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C(Cl)C=C1F	REAL300000435364	0	32	-2.0	-102.69	314.71	5.64	-97.05
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1Cl	REAL300000435365	0	36	-2.0	-94.41	344.23	5.87	-88.54
CC1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC=C1OCC(=O)[O-]	REAL300000435366	0	39	-2.0	-96.42	348.28	6.04	-90.38
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1F	REAL300000435367	0	42	-2.0	-95.24	376.88	6.30	-88.94
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2NC=CC2=CC=C1	REAL300000435368	0	35	-2.0	-102.24	317.41	5.88	-96.36
CC1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC=C1OCCCC(=O)[O-]	REAL300000435369	0	45	-2.0	-96.63	390.73	6.97	-89.66
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1F	REAL300000435370	0	36	-2.0	-95.38	334.43	5.40	-89.98
CCOC1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000435371	0	39	-2.0	-116.87	346.27	6.02	-110.85
CC1=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C(C(=O)[O-])S1	REAL300000435372	0	32	-2.0	-107.82	306.82	4.93	-102.89
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435373	0	32	-2.0	-99.78	325.35	6.06	-93.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C(Cl)=C1	REAL300000435374	0	32	-2.0	-94.82	310.17	5.61	-89.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C(Br)=C1	REAL300000435375	0	32	-2.0	-94.24	313.52	5.75	-88.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1F	REAL300000435376	0	32	-2.0	-96.87	301.66	5.09	-91.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)S1	REAL300000435377	0	29	-2.0	-99.42	289.39	4.17	-95.25
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435378	0	32	-2.0	-101.07	303.53	5.11	-95.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1F	REAL300000435379	0	35	-2.0	-109.52	322.88	5.74	-103.78
COC1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000435380	0	36	-2.0	-99.35	337.42	5.67	-93.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C(F)=C1	REAL300000435381	0	32	-2.0	-96.85	302.59	5.12	-91.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1Cl	REAL300000435382	0	32	-2.0	-95.03	309.63	5.45	-89.58
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2NC=CC2=CC=C1	REAL300000435383	0	35	-2.0	-103.96	326.15	6.26	-97.70
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1	REAL300000435384	0	40	-2.0	-94.14	360.87	6.46	-87.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1Br	REAL300000435385	0	32	-2.0	-94.60	313.37	5.55	-89.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC(F)=C1F	REAL300000435386	0	32	-2.0	-99.06	307.94	5.14	-93.92
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435387	0	34	-2.0	-95.14	325.31	5.72	-89.42
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435388	0	33	-2.0	-110.90	306.84	2.76	-108.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1	REAL300000435389	0	35	-2.0	-101.79	319.30	5.82	-95.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC(Cl)=C1F	REAL300000435390	0	32	-2.0	-100.55	317.83	5.58	-94.97
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C2NC=CC2=CC=C1	REAL300000435391	0	35	-2.0	-105.70	307.16	5.68	-100.02
CC1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC(C(=O)[O-])=C1F	REAL300000435392	0	35	-2.0	-108.99	321.96	5.70	-103.29
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2NC=CC2=CC=C1	REAL300000435393	0	35	-2.0	-97.65	312.54	5.83	-91.82
CC1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC(C(=O)[O-])=C1C	REAL300000435394	0	38	-2.0	-113.49	330.00	6.12	-107.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC=C1[N+](=O)[O-]	REAL300000435395	0	34	-2.0	-108.08	323.68	6.15	-101.93
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435396	0	32	-2.0	-99.45	308.86	5.16	-94.29
CC1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C(C)=C1C(=O)[O-]	REAL300000435397	0	38	-2.0	-110.10	330.65	6.44	-103.66
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000435398	0	35	-2.0	-110.34	322.44	5.74	-104.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1Cl	REAL300000435399	0	35	-2.0	-107.97	328.89	6.18	-101.79
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435400	0	35	-2.0	-114.48	322.17	5.74	-108.74
CCC1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000435401	0	38	-2.0	-112.32	331.45	6.24	-106.08
COC1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1CC(=O)[O-]	REAL300000435402	0	39	-2.0	-111.88	347.60	5.18	-106.70
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C2NC=CC2=CC=C1	REAL300000435403	0	35	-2.0	-99.09	323.39	6.23	-92.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1C(F)(F)F	REAL300000435404	0	35	-2.0	-93.95	327.25	5.85	-88.10
CC1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC(C(=O)[O-])=C1Cl	REAL300000435405	0	35	-2.0	-107.86	328.35	6.01	-101.85
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435406	0	32	-2.0	-102.99	318.42	5.66	-97.33
CCN1C=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000435407	0	36	-2.0	-109.91	325.13	5.26	-104.65
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C(C)=C1CC(=O)[O-]	REAL300000435408	1	44	-2.0	-109.62	362.27	7.92	-101.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C(F)C(Cl)=C1F	REAL300000435409	0	32	-2.0	-98.06	322.73	5.60	-92.46
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000435410	0	35	-2.0	-103.64	326.99	6.02	-97.62
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C(C(=O)[O-])S1	REAL300000435411	0	41	-2.0	-106.79	347.00	7.14	-99.65
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000435412	0	36	-2.0	-111.74	337.45	5.68	-106.06
CC1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC=C1C(=O)[O-]	REAL300000435413	0	35	-2.0	-97.66	313.13	5.59	-92.07
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C([N+](=O)[O-])=C1	REAL300000435414	0	37	-2.0	-101.66	337.84	7.21	-94.45
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2NC=CC2=CC=C1	REAL300000435415	0	35	-2.0	-109.19	316.65	5.88	-103.31
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1[N+](=O)[O-]	REAL300000435416	0	34	-2.0	-116.48	320.85	6.90	-109.58
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1F	REAL300000435417	0	32	-2.0	-113.64	300.76	5.07	-108.57
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000435418	0	35	-2.0	-101.92	318.29	5.62	-96.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=CC2=CC=CC=C21	REAL300000435419	0	38	-2.0	-118.61	338.16	7.17	-111.44
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C1	REAL300000435420	0	31	-2.0	-108.17	294.11	3.10	-105.07
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2NC=CC2=CC=C1	REAL300000435421	0	36	-2.0	-101.81	325.33	4.84	-96.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)=C(Cl)O1	REAL300000435422	0	29	-2.0	-98.00	297.23	4.02	-93.98
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C4NC=CC4=CC=C3)C=C2)CC1	REAL300000435423	0	39	-2.0	-104.61	343.25	6.94	-97.67
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C4NC=CC4=CC=C3)C=C2C1	REAL300000435424	0	39	-2.0	-98.96	342.21	6.93	-92.03
CCC1=C(S(=O)(=O)[N-]C2=C3NC=CC3=CC=C2)C=C(C(=O)[O-])O1	REAL300000435425	0	35	-2.0	-104.14	319.25	5.03	-99.11
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1Br	REAL300000435428	1	29	-2.0	-101.80	307.76	4.06	-97.74
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1Br	REAL300000435432	1	29	-2.0	-96.81	306.84	4.17	-92.64
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1Br	REAL300000435433	0	31	-2.0	-103.74	311.57	3.10	-100.64
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000435434	0	45	-2.0	-98.06	402.21	2.78	-95.28
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000435435	0	38	-2.0	-114.77	350.27	4.23	-110.54
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=N1	REAL300000435436	0	46	-2.0	-116.59	405.35	5.30	-111.29
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000435437	0	38	-2.0	-104.53	345.71	4.21	-100.32
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000435438	0	38	-2.0	-117.70	345.72	4.20	-113.50
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=N1	REAL300000435439	0	42	-2.0	-124.07	373.87	4.01	-120.06
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000435440	0	42	-2.0	-104.16	377.20	5.49	-98.67
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000435441	0	41	-2.0	-118.98	361.75	4.73	-114.25
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000435442	0	38	-2.0	-113.63	358.80	4.76	-108.87
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000435443	0	38	-2.0	-113.32	358.25	4.59	-108.73
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000435444	0	44	-2.0	-121.39	378.40	5.54	-115.85
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000435445	0	38	-2.0	-115.47	351.21	4.26	-111.21
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000435446	0	44	-2.0	-103.71	389.31	5.79	-97.92
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000435447	0	35	-2.0	-111.73	338.92	3.22	-108.51
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000435448	0	41	-2.0	-119.23	361.16	4.97	-114.26
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000435449	0	42	-2.0	-102.85	376.79	4.48	-98.37
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000435450	0	39	-2.0	-116.01	352.38	3.54	-112.47
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000435451	0	42	-2.0	-119.51	369.94	3.01	-116.50
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300000435452	0	38	-2.0	-107.49	354.84	3.88	-103.61
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000435453	0	44	-2.0	-120.59	377.19	5.51	-115.08
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000435454	0	35	-2.0	-113.19	337.39	3.22	-109.97
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000435455	0	46	-2.0	-117.81	404.06	4.01	-113.80
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000435456	0	42	-2.0	-123.50	373.03	4.27	-119.23
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000435457	0	48	-2.0	-123.40	400.97	6.82	-116.58
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000435458	0	47	-2.0	-121.63	399.63	6.20	-115.43
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)COC)C=C1	REAL300000435459	0	44	-2.0	-117.50	375.86	5.91	-111.59
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=N1	REAL300000435460	0	45	-2.0	-124.04	396.16	4.77	-119.27
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000435461	0	40	-3.0	-193.03	374.14	4.76	-188.27
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000435462	0	45	-2.0	-123.62	389.98	6.08	-117.54
COCC(C)N1C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300000435463	0	38	-2.0	-111.35	348.73	3.34	-108.01
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000435464	0	44	-2.0	-122.44	387.91	3.97	-118.47
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=N1	REAL300000435465	0	42	-2.0	-118.25	374.65	3.30	-114.95
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000435466	0	46	-2.0	-104.40	399.37	4.82	-99.58
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000435467	0	38	-2.0	-109.98	363.33	4.78	-105.20
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=N1	REAL300000435468	0	45	-2.0	-103.35	396.89	5.19	-98.16
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000435469	0	41	-2.0	-109.22	366.44	5.00	-104.22
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000435470	0	42	-2.0	-102.11	383.03	4.55	-97.56
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)COC)C=C2)C=C1C(=O)[O-]	REAL300000435471	0	45	-2.0	-124.20	394.88	5.17	-119.03
COCC(C)N1C=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300000435472	0	38	-2.0	-115.07	355.42	4.08	-110.99
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000435473	0	38	-2.0	-101.93	358.78	4.75	-97.18
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000435474	0	38	-2.0	-103.78	350.27	4.24	-99.54
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000435475	0	35	-2.0	-106.22	337.99	3.33	-102.89
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000435476	0	38	-2.0	-108.21	352.14	4.26	-103.95
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000435477	0	41	-2.0	-116.97	371.49	4.90	-112.07
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000435478	0	38	-2.0	-103.95	351.19	4.27	-99.68
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000435479	0	38	-2.0	-102.01	358.23	4.60	-97.41
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300000435480	0	41	-2.0	-111.05	375.17	5.39	-105.66
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000435481	0	46	-2.0	-100.85	409.48	5.61	-95.24
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000435482	0	38	-2.0	-106.10	356.56	4.29	-101.81
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000435483	0	40	-2.0	-102.14	373.92	4.87	-97.27
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000435484	0	39	-2.0	-118.14	355.45	1.92	-116.22
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000435485	0	41	-2.0	-108.70	367.92	4.98	-103.72
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000435486	0	38	-2.0	-107.66	366.45	4.73	-102.93
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000435487	0	41	-2.0	-113.28	355.80	4.83	-108.45
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000435488	0	41	-2.0	-116.35	370.56	4.85	-111.50
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000435489	0	41	-2.0	-104.77	361.14	4.97	-99.80
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000435490	0	44	-2.0	-121.02	379.20	5.28	-115.74
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000435491	0	40	-2.0	-115.08	372.30	5.29	-109.79
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000435492	0	38	-2.0	-106.63	357.46	4.32	-102.31
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000435493	0	44	-2.0	-117.74	379.12	5.60	-112.14
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000435494	0	41	-2.0	-116.71	367.22	4.80	-111.91
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=N1	REAL300000435495	0	41	-2.0	-115.52	377.49	5.32	-110.20
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=N1	REAL300000435496	0	41	-2.0	-122.13	370.76	4.89	-117.24
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)COC)C=C2)C=C1C(=O)[O-]	REAL300000435497	0	44	-2.0	-119.62	380.06	5.39	-114.23
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=N1	REAL300000435498	0	45	-2.0	-119.62	396.20	4.33	-115.29
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=N1	REAL300000435499	0	41	-2.0	-106.47	371.99	5.38	-101.09
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000435500	0	41	-2.0	-115.24	376.95	5.16	-110.08
CCN1C=C(S(=O)(=O)[N-]C2=NN(C(C)COC)C=C2)C=C1C(=O)[O-]	REAL300000435501	0	42	-2.0	-117.24	373.75	4.42	-112.82
COCC(C)N1C=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=N1	REAL300000435502	0	50	-2.0	-117.79	410.88	7.08	-110.71
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000435503	0	41	-2.0	-110.98	375.59	5.16	-105.82
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000435504	0	41	-2.0	-104.77	361.74	4.74	-100.03
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000435505	0	43	-2.0	-109.65	389.00	6.39	-103.26
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000435506	0	41	-2.0	-116.50	365.27	5.04	-111.46
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000435507	0	40	-2.0	-124.22	369.46	6.06	-118.16
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000435508	0	38	-2.0	-121.29	349.39	4.23	-117.06
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000435509	0	41	-2.0	-109.15	366.89	4.77	-104.38
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000435510	0	44	-2.0	-126.16	386.77	6.32	-119.84
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000435511	0	37	-2.0	-115.41	342.72	2.25	-113.16
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300000435512	0	42	-2.0	-109.16	373.93	4.01	-105.15
COCC(C)N1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000435513	0	35	-2.0	-104.90	345.83	3.16	-101.74
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000435514	0	45	-2.0	-111.62	391.84	6.09	-105.53
COCC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000435515	0	45	-2.0	-114.83	391.17	6.09	-108.74
CCC1=C(S(=O)(=O)[N-]C2=NN(C(C)COC)C=C2)C=C(C(=O)[O-])O1	REAL300000435516	0	41	-2.0	-111.27	367.85	4.19	-107.08
N#CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1OC1=CC=CC=C1	REAL300000435518	1	40	-2.0	-99.68	375.46	8.23	-91.45
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000435519	1	41	-2.0	-98.34	382.10	7.58	-90.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000435520	0	40	-2.0	-94.29	378.46	7.37	-86.92
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1OC1=CC=CC=C1	REAL300000435521	0	39	-2.0	-96.29	372.44	6.28	-90.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=CC=C1F	REAL300000435522	0	29	-2.0	-99.80	303.37	2.84	-96.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1	REAL300000435523	0	29	-2.0	-89.19	298.83	2.81	-86.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1	REAL300000435524	0	29	-2.0	-102.03	298.85	2.81	-99.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1O	REAL300000435525	0	33	-2.0	-107.12	326.99	2.61	-104.51
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1	REAL300000435526	0	33	-2.0	-89.21	330.30	4.11	-85.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000435527	0	32	-2.0	-101.21	314.86	3.35	-97.86
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1	REAL300000435528	0	29	-2.0	-97.63	311.91	3.40	-94.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=CC=C1Cl	REAL300000435529	0	29	-2.0	-97.92	311.35	3.21	-94.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1C	REAL300000435530	0	35	-2.0	-105.09	331.95	4.14	-100.95
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1	REAL300000435531	0	29	-2.0	-98.88	304.32	2.88	-96.00
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1	REAL300000435532	0	35	-2.0	-88.27	342.42	4.39	-83.88
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1	REAL300000435533	0	26	-2.0	-96.25	292.03	1.83	-94.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1O	REAL300000435534	0	32	-2.0	-103.25	314.28	3.59	-99.66
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1	REAL300000435535	0	33	-2.0	-87.72	329.92	3.09	-84.63
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000435536	0	30	-2.0	-100.20	305.49	2.16	-98.04
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1O	REAL300000435537	0	33	-2.0	-103.65	323.04	1.63	-102.02
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1	REAL300000435538	0	29	-2.0	-91.56	307.95	2.50	-89.06
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000435539	0	35	-2.0	-104.39	330.29	4.13	-100.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=CS1	REAL300000435540	0	26	-2.0	-97.72	290.50	1.85	-95.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000435541	0	33	-2.0	-107.81	326.14	2.88	-104.93
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1	REAL300000435542	0	39	-2.0	-106.83	354.08	5.44	-101.39
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1O	REAL300000435543	0	38	-2.0	-105.34	352.74	4.82	-100.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1O	REAL300000435544	0	35	-2.0	-101.86	328.97	4.54	-97.32
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1O	REAL300000435545	0	36	-2.0	-107.40	349.28	3.37	-104.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=CC(C(=O)[O-])=C1	REAL300000435546	0	31	-3.0	-174.91	327.25	3.38	-171.53
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=CC(Cl)=C2O)=CC(C(=O)[O-])=C1	REAL300000435546	1	32	-2.0	-104.55	327.28	3.33	-101.22
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1	REAL300000435547	0	36	-2.0	-107.18	343.09	4.71	-102.47
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C(C(=O)[O-])O1	REAL300000435548	0	29	-2.0	-96.31	301.85	1.95	-94.36
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1	REAL300000435549	0	33	-2.0	-101.36	327.83	1.90	-99.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C(Cl)C=C1F	REAL300000435550	0	29	-2.0	-94.60	316.44	3.41	-91.19
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=CC=C1OCC(=O)[O-]	REAL300000435551	0	36	-2.0	-88.10	350.00	3.79	-84.31
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1O	REAL300000435552	0	32	-2.0	-93.88	319.56	3.63	-90.25
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1F	REAL300000435553	0	33	-2.0	-87.28	336.15	3.16	-84.12
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000435554	0	36	-2.0	-106.63	347.99	3.79	-102.84
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C(C(=O)[O-])S1	REAL300000435555	0	29	-2.0	-99.83	307.47	2.70	-97.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C(Cl)=C1	REAL300000435556	0	29	-2.0	-86.79	311.89	3.38	-83.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1F	REAL300000435557	0	29	-2.0	-88.75	303.37	2.85	-85.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)S1	REAL300000435558	0	26	-2.0	-90.45	291.10	1.94	-88.51
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1	REAL300000435559	0	29	-2.0	-91.57	305.26	2.88	-88.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1F	REAL300000435560	0	32	-2.0	-100.18	324.59	3.51	-96.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C(F)=C1	REAL300000435561	0	29	-2.0	-88.15	304.31	2.88	-85.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1Cl	REAL300000435562	0	29	-2.0	-86.78	311.34	3.22	-83.56
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1O	REAL300000435563	0	32	-2.0	-95.55	328.30	4.01	-91.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=CC(F)=C1F	REAL300000435564	0	29	-2.0	-91.35	309.66	2.91	-88.44
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1	REAL300000435565	0	31	-2.0	-87.09	327.03	3.48	-83.61
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1	REAL300000435566	0	30	-2.0	-102.08	308.56	0.52	-101.56
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1	REAL300000435567	0	32	-2.0	-92.63	321.02	3.59	-89.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=CC(Cl)=C1F	REAL300000435568	0	29	-2.0	-92.78	319.55	3.34	-89.44
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1O	REAL300000435569	0	32	-2.0	-96.41	308.88	3.45	-92.96
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=CC(C(=O)[O-])=C1F	REAL300000435570	0	32	-2.0	-99.20	323.69	3.45	-95.75
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1O	REAL300000435571	0	32	-2.0	-89.81	314.26	3.59	-86.22
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=CC(C(=O)[O-])=C1C	REAL300000435572	0	35	-2.0	-103.04	331.72	3.87	-99.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=CC=C1[N+](=O)[O-]	REAL300000435573	0	31	-2.0	-99.09	325.42	3.91	-95.18
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1	REAL300000435574	0	29	-2.0	-90.53	310.58	2.94	-87.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C(C)=C1C(=O)[O-]	REAL300000435575	0	35	-2.0	-101.00	332.37	4.23	-96.77
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000435576	0	32	-2.0	-99.83	320.32	3.41	-96.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1Cl	REAL300000435577	0	32	-2.0	-99.24	330.62	3.95	-95.29
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1	REAL300000435578	0	32	-2.0	-104.42	323.88	3.51	-100.91
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000435579	0	35	-2.0	-101.78	333.13	4.00	-97.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1CC(=O)[O-]	REAL300000435580	0	36	-2.0	-104.03	349.32	2.95	-101.08
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1O	REAL300000435581	0	32	-2.0	-90.16	325.11	4.00	-86.16
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000435582	0	32	-2.0	-97.86	330.08	3.76	-94.10
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000435583	0	33	-2.0	-101.47	326.87	3.02	-98.45
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000435584	0	32	-2.0	-96.31	332.61	3.87	-92.44
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=CC=C1C(=O)[O-]	REAL300000435585	0	32	-2.0	-90.86	318.91	3.45	-87.41
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1O	REAL300000435586	0	32	-2.0	-100.91	318.79	3.63	-97.28
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1[N+](=O)[O-]	REAL300000435587	0	31	-2.0	-106.50	322.58	4.65	-101.85
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1F	REAL300000435588	0	29	-2.0	-103.79	302.48	2.84	-100.95
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C1C(=O)[O-]	REAL300000435589	0	32	-2.0	-94.53	323.80	3.48	-91.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=CC2=CC=CC=C21	REAL300000435590	0	35	-2.0	-110.01	339.87	4.93	-105.08
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C1	REAL300000435591	0	28	-2.0	-98.18	295.06	0.93	-97.25
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1O	REAL300000435592	0	33	-2.0	-93.25	327.05	2.61	-90.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)=C(Cl)O1	REAL300000435593	0	26	-2.0	-89.86	298.95	1.78	-88.08
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(Cl)=C3O)C=C2)CC1	REAL300000435594	0	36	-2.0	-96.10	344.97	4.69	-91.41
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(Cl)=C3O)C=C2C1	REAL300000435595	0	36	-2.0	-97.40	342.93	4.67	-92.73
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2O)C=C(C(=O)[O-])O1	REAL300000435596	0	32	-2.0	-96.37	320.96	2.80	-93.57
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1F	REAL300000435599	1	40	-2.0	-108.60	360.79	5.49	-103.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1F	REAL300000435602	1	36	-2.0	-115.49	329.30	4.19	-111.30
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1F	REAL300000435605	1	32	-2.0	-105.64	314.25	4.98	-100.66
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1F	REAL300000435607	1	32	-2.0	-101.31	326.74	5.36	-95.95
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1F	REAL300000435609	1	32	-2.0	-107.53	306.65	4.47	-103.06
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1F	REAL300000435611	0	29	-2.0	-105.37	294.36	3.42	-101.95
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1F	REAL300000435616	1	32	-2.0	-101.62	310.28	4.08	-97.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1F	REAL300000435624	1	39	-2.0	-117.28	351.60	4.96	-112.32
COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1F	REAL300000435625	0	35	-2.0	-108.84	329.66	4.89	-103.95
COC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1F	REAL300000435627	1	32	-2.0	-104.16	304.19	3.54	-100.62
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1F	REAL300000435629	1	36	-2.0	-113.71	330.10	3.49	-110.22
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1F	REAL300000435632	1	32	-2.0	-102.35	318.77	5.00	-97.35
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1F	REAL300000435640	1	32	-2.0	-99.62	329.40	5.42	-94.20
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1F	REAL300000435641	1	32	-2.0	-96.26	314.23	4.97	-91.29
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1F	REAL300000435643	1	29	-2.0	-100.29	293.44	3.52	-96.77
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1F	REAL300000435645	1	35	-2.0	-109.06	326.92	5.11	-103.95
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC)=C2F)=C(Cl)C=C1C(=O)[O-]	REAL300000435646	1	36	-2.0	-101.03	341.49	5.02	-96.01
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1F	REAL300000435647	1	32	-2.0	-98.39	306.64	4.48	-93.91
COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1F	REAL300000435653	0	33	-2.0	-107.44	309.14	2.96	-104.48
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1F	REAL300000435660	1	34	-2.0	-109.53	327.73	5.50	-104.03
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1F	REAL300000435661	1	32	-2.0	-99.51	312.91	4.53	-94.98
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1F	REAL300000435663	1	35	-2.0	-108.67	322.65	5.00	-103.67
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1F	REAL300000435664	1	35	-2.0	-107.45	332.96	5.54	-101.91
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1F	REAL300000435665	1	35	-2.0	-117.36	326.19	5.10	-112.26
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1F	REAL300000435673	1	32	-2.0	-98.11	326.79	4.96	-93.15
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1F	REAL300000435678	0	37	-2.0	-102.59	344.43	6.60	-95.99
COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1F	REAL300000435680	0	34	-2.0	-119.88	324.90	6.25	-113.63
COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000435681	1	32	-2.0	-116.58	304.81	4.43	-112.15
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1F	REAL300000435684	0	31	-2.0	-106.98	298.16	2.46	-104.52
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1F	REAL300000435685	1	36	-2.0	-102.84	329.38	4.20	-98.64
COC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1F	REAL300000435686	0	29	-2.0	-98.32	301.28	3.38	-94.94
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2F)C=C(C(=O)[O-])O1	REAL300000435689	1	35	-2.0	-103.76	323.29	4.39	-99.37
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000435704	1	43	-2.0	-109.59	391.64	8.23	-101.36
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000435706	1	43	-2.0	-112.47	387.10	8.20	-104.27
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000435708	0	43	-2.0	-109.66	392.57	8.26	-101.40
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000435709	0	40	-2.0	-106.59	380.26	7.21	-99.38
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000435710	1	46	-2.0	-113.11	402.51	8.98	-104.13
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000435711	1	44	-2.0	-110.74	393.72	7.55	-103.19
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000435712	0	43	-2.0	-102.58	396.20	7.87	-94.71
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000435713	0	40	-2.0	-107.99	378.74	7.23	-100.76
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000435714	0	43	-2.0	-106.12	390.09	7.33	-98.79
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000435715	1	43	-2.0	-109.46	395.69	8.09	-101.37
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000435716	1	43	-2.0	-99.11	391.62	8.24	-90.87
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000435717	0	40	-2.0	-101.35	379.35	7.32	-94.03
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000435718	1	43	-2.0	-103.16	393.49	8.25	-94.91
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000435719	0	43	-2.0	-99.06	392.54	8.27	-90.79
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000435720	0	44	-2.0	-111.97	396.81	5.90	-106.07
CC(=O)OCCCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000435720	1	44	-2.0	-109.91	395.88	6.78	-103.13
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000435721	1	46	-2.0	-103.12	409.26	8.97	-94.15
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000435722	1	46	-2.0	-108.33	397.16	8.83	-99.50
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCCOC(C)=O)=C2)C=C1C(=O)[O-]	REAL300000435724	1	47	-2.0	-111.95	415.10	8.41	-103.54
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000435726	0	43	-2.0	-116.45	390.74	8.23	-108.22
CC(=O)OCCCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000435727	0	42	-2.0	-110.10	383.31	6.33	-103.77
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CCCOC(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000435728	0	46	-2.0	-105.93	409.22	8.18	-97.75
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000435729	0	45	-2.0	-90.91	399.88	4.23	-86.68
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000435730	0	38	-2.0	-107.05	347.95	5.68	-101.37
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C2CC2)N=C1	REAL300000435731	0	46	-2.0	-108.82	401.41	6.65	-102.17
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000435732	0	38	-2.0	-97.20	343.39	5.65	-91.55
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000435733	0	38	-2.0	-109.92	343.42	5.63	-104.29
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C2CC2)N=C1	REAL300000435734	0	42	-2.0	-115.61	371.56	5.45	-110.16
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000435735	0	42	-2.0	-96.91	374.87	6.94	-89.97
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000435736	0	41	-2.0	-111.02	359.43	6.18	-104.84
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000435737	0	38	-2.0	-105.84	356.49	6.22	-99.62
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000435738	0	38	-2.0	-105.48	355.92	6.03	-99.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)=C1C	REAL300000435739	0	44	-2.0	-113.35	375.81	6.96	-106.39
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000435740	0	38	-2.0	-107.14	348.90	5.70	-101.44
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000435741	0	44	-2.0	-96.23	386.98	7.23	-89.00
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000435742	0	35	-2.0	-103.89	336.60	4.67	-99.22
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C2CC2)N=C1	REAL300000435743	0	41	-2.0	-111.16	358.85	6.43	-104.73
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000435744	0	42	-2.0	-95.57	374.49	5.92	-89.65
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000435745	0	39	-2.0	-108.15	350.06	5.00	-103.15
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C2CC2)N=C1	REAL300000435746	0	42	-2.0	-111.43	367.62	4.45	-106.98
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)=C1	REAL300000435747	0	38	-2.0	-100.09	352.54	5.33	-94.76
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000435748	0	44	-2.0	-112.87	372.85	6.89	-105.98
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000435749	0	35	-2.0	-105.50	335.07	4.68	-100.82
COC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000435750	0	46	-2.0	-109.80	400.10	5.36	-104.44
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000435751	0	42	-2.0	-115.52	370.71	5.71	-109.81
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000435752	0	48	-2.0	-115.09	398.67	8.27	-106.82
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C2CC2)N=C1	REAL300000435753	0	47	-2.0	-113.47	395.69	7.55	-105.92
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C2CC2)N=C1	REAL300000435754	0	44	-2.0	-109.54	373.57	7.35	-102.19
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C2CC2)N=C1	REAL300000435755	0	45	-2.0	-115.68	393.85	6.21	-109.47
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000435756	0	40	-3.0	-184.26	371.82	6.21	-178.05
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000435757	0	45	-2.0	-115.64	387.66	7.54	-108.10
CC1=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C=C(C(=O)[O-])O1	REAL300000435758	0	38	-2.0	-103.91	346.43	4.79	-99.12
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000435759	0	44	-2.0	-114.44	385.58	5.43	-109.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)=C1	REAL300000435760	0	42	-2.0	-110.57	372.40	4.74	-105.83
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000435761	0	46	-2.0	-96.33	396.33	6.24	-90.09
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000435762	0	38	-2.0	-102.49	361.02	6.22	-96.27
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000435763	0	42	-2.0	-94.04	390.51	6.46	-87.58
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)=CC=C1OCC(=O)[O-]	REAL300000435764	0	45	-2.0	-96.08	394.57	6.64	-89.44
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C2CC2)N=C1	REAL300000435765	0	41	-2.0	-101.57	364.12	6.47	-95.10
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000435766	0	42	-2.0	-95.01	380.71	5.98	-89.03
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000435767	0	45	-2.0	-116.37	392.55	6.62	-109.75
CC1=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C=C(C(=O)[O-])S1	REAL300000435768	0	38	-2.0	-107.52	351.48	5.44	-102.08
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000435769	0	38	-2.0	-94.84	356.47	6.21	-88.63
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000435770	0	38	-2.0	-96.65	347.94	5.68	-90.97
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000435771	0	35	-2.0	-98.86	335.69	4.76	-94.10
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000435772	0	38	-2.0	-100.47	349.82	5.70	-94.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)=C1F	REAL300000435773	0	41	-2.0	-108.78	369.17	6.34	-102.44
COC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000435774	0	42	-2.0	-99.47	383.73	6.27	-93.20
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000435775	0	38	-2.0	-96.43	348.88	5.72	-90.71
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000435776	0	38	-2.0	-94.75	355.91	6.06	-88.69
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C2CC2)N=C1	REAL300000435777	0	41	-2.0	-103.29	372.86	6.86	-96.43
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000435778	0	46	-2.0	-93.69	405.53	6.95	-86.74
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000435779	0	38	-2.0	-98.76	354.24	5.74	-93.02
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000435780	0	40	-2.0	-94.70	371.61	6.30	-88.40
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000435781	0	39	-2.0	-110.35	351.50	3.27	-107.08
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000435782	0	41	-2.0	-101.13	365.59	6.42	-94.71
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000435783	0	38	-2.0	-100.32	364.12	6.18	-94.14
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C2CC2)N=C1	REAL300000435784	0	41	-2.0	-105.30	351.84	6.18	-99.12
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000435785	0	41	-2.0	-108.49	368.25	6.29	-102.20
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C2CC2)N=C1	REAL300000435786	0	41	-2.0	-97.57	358.83	6.43	-91.14
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000435787	0	44	-2.0	-114.32	380.22	6.81	-107.51
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000435788	0	40	-2.0	-107.64	369.99	6.73	-100.91
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000435789	0	38	-2.0	-98.78	355.17	5.77	-93.01
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000435790	0	44	-2.0	-109.72	377.90	7.01	-102.71
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000435791	0	41	-2.0	-108.38	364.89	6.25	-102.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)=C1Cl	REAL300000435792	0	41	-2.0	-107.80	375.18	6.78	-101.02
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)=C1	REAL300000435793	0	41	-2.0	-113.75	368.43	6.34	-107.41
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000435794	0	44	-2.0	-111.71	377.70	6.83	-104.88
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C=C1CC(=O)[O-]	REAL300000435795	0	45	-2.0	-111.75	393.88	5.77	-105.98
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C(C)C2CC2)N=C1	REAL300000435796	0	41	-2.0	-98.93	369.68	6.82	-92.11
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000435797	0	41	-2.0	-107.29	374.64	6.59	-100.70
CCN1C=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000435798	0	42	-2.0	-109.38	371.44	5.87	-103.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C(C)=C1CC(=O)[O-]	REAL300000435799	0	50	-2.0	-109.56	408.57	8.51	-101.05
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000435800	0	41	-2.0	-104.25	377.16	6.71	-97.54
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300000435801	0	47	-2.0	-107.54	391.23	7.68	-99.86
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000435802	0	42	-2.0	-111.37	383.74	6.28	-105.09
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)=CC=C1C(=O)[O-]	REAL300000435803	0	41	-2.0	-97.40	359.44	6.19	-91.21
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000435804	0	43	-2.0	-101.53	386.67	7.84	-93.69
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C2CC2)N=C1	REAL300000435805	0	41	-2.0	-108.46	363.38	6.45	-102.01
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000435806	0	40	-2.0	-115.87	365.53	7.40	-108.47
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000435807	0	38	-2.0	-112.99	345.44	5.58	-107.41
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C=C1C(=O)[O-]	REAL300000435808	0	41	-2.0	-102.37	368.35	6.31	-96.06
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000435809	0	44	-2.0	-117.69	382.83	7.68	-110.01
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000435810	0	37	-2.0	-107.21	339.64	3.77	-103.44
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C2CC2)N=C1	REAL300000435811	0	42	-2.0	-101.59	371.62	5.45	-96.14
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000435812	0	35	-2.0	-97.61	343.56	4.62	-92.99
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000435813	0	45	-2.0	-104.18	389.54	7.52	-96.66
CC(C1CC1)N1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000435814	0	45	-2.0	-106.60	388.86	7.53	-99.07
CCC1=C(S(=O)(=O)[N-]C2=CN(C(C)C3CC3)N=C2)C=C(C(=O)[O-])O1	REAL300000435815	0	41	-2.0	-103.92	365.55	5.64	-98.28
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000435821	0	34	-2.0	-101.94	320.72	6.66	-95.28
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000435832	0	41	-2.0	-104.21	372.87	5.97	-98.24
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000435833	0	34	-2.0	-114.85	320.26	7.54	-107.31
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000435838	0	42	-2.0	-122.26	364.59	8.52	-113.74
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000435845	0	34	-2.0	-105.86	316.50	7.39	-98.47
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000435851	0	34	-2.0	-116.12	315.72	7.51	-108.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000435874	0	38	-2.0	-125.25	333.13	7.23	-118.02
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000435875	0	38	-2.0	-109.23	347.86	8.68	-100.55
CC1=CC=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000435879	0	37	-2.0	-116.51	331.74	8.04	-108.47
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000435890	0	34	-2.0	-113.67	319.39	7.63	-106.04
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000435891	0	34	-2.0	-112.52	328.23	7.90	-104.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=C1C	REAL300000435907	0	40	-2.0	-112.28	348.68	8.60	-103.68
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000435911	0	34	-2.0	-114.56	313.81	7.34	-107.22
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000435916	0	40	-2.0	-108.60	360.10	8.97	-99.63
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000435925	0	31	-2.0	-109.93	308.88	6.59	-103.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000435928	0	37	-2.0	-110.80	329.85	8.11	-102.69
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000435945	0	38	-2.0	-107.40	347.48	7.67	-99.73
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000435979	0	35	-2.0	-113.27	322.17	6.94	-106.33
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000435983	0	38	-2.0	-111.92	339.89	6.12	-105.80
CC1=C(C(=O)[O-])SC(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000436003	0	34	-2.0	-107.10	324.89	7.20	-99.90
CC1=CC(C)=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000436006	0	40	-2.0	-111.67	347.17	8.61	-103.06
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000436028	0	31	-2.0	-112.46	307.28	6.55	-105.91
COC1=CC(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000436030	0	42	-2.0	-115.15	374.05	7.32	-107.83
COC1=CC=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000436033	0	38	-2.0	-121.81	342.99	7.58	-114.23
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000436041	0	44	-2.0	-112.67	369.35	9.98	-102.69
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000436042	0	43	-2.0	-122.58	359.98	9.36	-113.22
CC1=CC=C([O-])C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000436049	1	35	-2.0	-119.03	306.79	6.29	-112.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000436050	0	40	-2.0	-110.99	346.25	8.98	-102.01
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000436053	0	41	-2.0	-122.26	355.53	8.01	-114.25
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000436054	0	36	-3.0	-179.38	344.13	8.07	-171.31
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000436056	0	41	-2.0	-124.52	350.42	9.43	-115.09
CC1=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000436063	0	34	-2.0	-113.82	310.15	6.25	-107.57
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000436073	0	40	-2.0	-119.43	357.89	7.28	-112.15
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000436080	0	38	-2.0	-108.72	336.51	6.56	-102.16
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000436081	0	42	-2.0	-106.97	368.78	8.08	-98.89
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000436085	0	34	-2.0	-111.22	326.06	8.05	-103.17
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000436087	0	38	-2.0	-106.15	362.82	8.33	-97.82
CC1=CC(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300000436096	0	41	-2.0	-107.30	366.99	8.47	-98.83
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000436105	0	37	-2.0	-102.79	334.78	8.15	-94.64
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000436108	0	38	-2.0	-107.36	353.02	7.86	-99.50
CCOC1=CC=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000436118	0	41	-2.0	-122.18	364.85	8.48	-113.70
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])S1	REAL300000436128	1	37	-2.0	-105.97	344.57	4.14	-101.83
CC1=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000436142	0	34	-2.0	-116.97	317.74	7.39	-109.58
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000436185	0	34	-2.0	-102.85	319.66	7.56	-95.29
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000436186	0	34	-2.0	-105.71	320.24	7.55	-98.16
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000436197	0	31	-2.0	-105.76	307.92	6.70	-99.06
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000436199	0	34	-2.0	-107.34	322.13	7.57	-99.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=C1F	REAL300000436200	0	37	-2.0	-115.98	334.17	7.88	-108.10
COC1=CC(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300000436202	0	38	-2.0	-105.17	348.77	8.08	-97.09
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000436204	0	34	-2.0	-103.67	313.85	7.25	-96.42
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000436205	0	34	-2.0	-103.34	328.21	7.91	-95.43
CC(=O)NC1=CC(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=CC=C1[O-]	REAL300000436213	1	39	-2.0	-115.51	350.10	3.88	-111.63
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000436216	0	37	-2.0	-103.77	343.26	8.52	-95.25
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000436222	0	42	-2.0	-107.54	380.15	8.79	-98.75
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000436225	0	34	-2.0	-106.29	326.54	7.60	-98.69
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000436226	0	36	-2.0	-101.72	343.91	8.18	-93.54
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000436239	0	34	-3.0	-191.18	313.74	6.21	-184.97
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000436239	1	35	-2.0	-117.89	321.76	5.45	-112.44
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000436241	0	37	-2.0	-111.82	338.70	8.17	-103.65
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000436270	0	34	-2.0	-107.33	336.43	8.04	-99.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000436277	0	37	-2.0	-120.79	325.42	7.95	-112.84
CC1=CC(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000436280	0	37	-2.0	-115.29	340.55	8.16	-107.13
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000436281	0	37	-2.0	-107.77	329.35	8.10	-99.67
CC1=CC(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000436287	0	40	-2.0	-118.71	353.02	8.78	-109.93
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000436290	0	36	-2.0	-116.18	342.08	8.68	-107.50
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000436293	0	34	-2.0	-105.92	320.26	7.31	-98.61
CC1=CC=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000436299	0	40	-2.0	-124.90	349.38	8.69	-116.21
CC1=CC(F)=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000436301	0	37	-2.0	-116.47	333.62	7.97	-108.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300000436302	0	37	-2.0	-115.47	338.36	8.14	-107.33
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000436303	0	37	-2.0	-114.02	333.48	7.88	-106.14
CCC1=CC=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000436310	0	40	-2.0	-116.89	349.95	8.70	-108.19
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000436316	0	37	-2.0	-104.16	327.71	7.33	-96.83
COC1=CC=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000436324	0	41	-2.0	-115.53	366.18	7.64	-107.89
COC1=CC=C([O-])C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000436326	1	36	-2.0	-118.78	314.84	4.92	-113.86
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000436343	0	37	-2.0	-102.36	333.35	8.61	-93.75
CC1=CC(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300000436347	0	37	-2.0	-113.43	346.94	8.47	-104.96
CCN1C=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000436351	0	38	-2.0	-114.80	343.74	7.73	-107.07
CC1=C(Cl)C=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000436425	0	37	-2.0	-108.65	345.58	8.47	-100.18
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])S1	REAL300000436429	1	34	-2.0	-105.48	328.85	3.38	-102.10
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000436434	0	43	-2.0	-110.38	366.98	9.27	-101.11
COC1=CC(Cl)=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000436455	0	38	-2.0	-119.87	346.92	7.63	-112.24
CC1=CC(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000436475	0	37	-2.0	-105.24	331.85	8.02	-97.22
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000436506	0	39	-2.0	-121.84	356.73	9.73	-112.11
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000436514	0	35	-2.0	-110.57	324.12	6.64	-103.93
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000436530	0	37	-2.0	-120.39	326.49	8.25	-112.14
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000436532	0	36	-2.0	-136.93	337.54	9.02	-127.91
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000436572	0	34	-2.0	-113.58	311.98	7.31	-106.27
CC1=C(F)C=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000436596	0	37	-2.0	-107.27	336.88	8.08	-99.19
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC([O-])=CC(C(F)(F)F)=C1	REAL300000436604	1	35	-2.0	-105.04	333.77	5.87	-99.17
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000436660	0	40	-2.0	-122.11	356.55	9.70	-112.41
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000436673	0	33	-2.0	-111.34	312.07	5.60	-105.74
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000436691	0	32	-2.0	-111.91	291.75	5.68	-106.23
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C1=CC=CC=C1C(=O)[O-]	REAL300000436709	0	38	-2.0	-109.58	333.06	7.23	-102.35
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000436714	0	31	-2.0	-104.62	305.80	6.08	-98.54
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000436727	0	32	-2.0	-108.54	318.18	6.60	-101.94
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300000436728	0	36	-2.0	-122.85	334.89	6.87	-115.98
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000436868	0	32	-2.0	-100.37	314.73	5.47	-94.90
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])S1	REAL300000436885	1	40	-2.0	-106.08	364.86	4.97	-101.11
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000436918	0	41	-2.0	-114.02	361.89	9.38	-104.64
CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000436931	0	41	-2.0	-108.39	359.61	9.46	-98.93
CCC1=C(S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000436944	0	37	-2.0	-107.54	342.55	7.24	-100.30
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1	REAL300000436950	0	32	-2.0	-126.95	319.79	5.11	-121.84
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000436951	0	31	-2.0	-107.56	323.16	3.46	-104.10
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000436952	0	33	-2.0	-114.73	332.13	5.22	-109.51
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=C1	REAL300000436953	0	33	-2.0	-110.25	332.11	5.23	-105.02
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000436954	0	33	-2.0	-125.90	329.39	5.11	-120.79
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000436955	0	34	-2.0	-106.62	326.22	3.76	-102.86
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300000436956	0	32	-2.0	-107.52	324.00	4.95	-102.57
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000436957	0	35	-2.0	-120.05	332.72	5.50	-114.55
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C=CC2=CC=CC=C2)=C1	REAL300000436958	1	36	-2.0	-116.65	343.20	6.01	-110.64
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300000436959	0	32	-2.0	-114.96	328.02	5.36	-109.60
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000436960	0	38	-2.0	-120.23	348.19	6.28	-113.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=C1C	REAL300000436961	0	38	-2.0	-120.92	349.71	6.04	-114.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C(C)=C1	REAL300000436962	0	38	-2.0	-119.41	348.19	6.28	-113.13
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000436963	0	36	-2.0	-126.51	339.55	4.62	-121.89
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1	REAL300000436964	0	32	-2.0	-119.70	324.42	5.40	-114.30
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000436965	0	29	-2.0	-116.84	303.22	3.84	-113.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=C1	REAL300000436966	0	36	-2.0	-116.40	340.80	4.13	-112.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=C1	REAL300000436967	0	35	-2.0	-119.21	332.69	5.51	-113.70
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1	REAL300000436968	0	32	-2.0	-113.51	323.20	4.97	-108.54
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300000436969	0	32	-2.0	-115.14	317.70	4.91	-110.23
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1	REAL300000436970	0	32	-2.0	-108.40	324.12	4.97	-103.43
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300000436971	0	32	-2.0	-111.64	328.03	5.35	-106.29
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000436972	0	32	-2.0	-119.24	311.29	4.83	-114.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)S1	REAL300000436973	0	32	-2.0	-117.79	325.12	4.64	-113.15
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1	REAL300000436974	0	32	-2.0	-117.85	323.20	4.97	-112.88
COC(=O)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000436975	0	34	-2.0	-111.46	329.97	3.42	-108.04
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000436976	0	38	-2.0	-115.79	347.99	3.88	-111.91
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=C1	REAL300000436977	0	38	-2.0	-118.73	354.19	6.28	-112.45
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1	REAL300000436978	0	32	-2.0	-110.79	317.71	4.90	-105.89
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=CC=C2F)=C1	REAL300000436979	0	32	-2.0	-123.20	316.79	4.90	-118.30
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000436980	0	35	-2.0	-110.96	333.18	5.68	-105.28
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1Cl	REAL300000436981	0	32	-2.0	-124.64	328.76	4.41	-120.23
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=N1	REAL300000436982	0	32	-2.0	-114.08	315.84	2.55	-111.53
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)CCC2=CC=CC=C2)=C1	REAL300000436983	0	38	-2.0	-115.29	355.91	6.39	-108.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=C1F	REAL300000436984	0	35	-2.0	-115.47	338.02	5.54	-109.93
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000436985	0	35	-2.0	-123.58	338.20	5.57	-118.01
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000436986	0	35	-2.0	-115.87	333.18	5.68	-110.19
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000436987	0	36	-2.0	-122.26	342.48	3.21	-119.05
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CNN=C2)=C1	REAL300000436988	0	29	-2.0	-111.29	292.87	1.23	-110.06
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1	REAL300000436989	0	31	-2.0	-108.05	312.71	3.12	-104.93
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000436990	0	32	-2.0	-125.95	315.31	3.93	-122.02
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=N1	REAL300000436991	0	32	-2.0	-105.82	327.25	3.35	-102.47
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1	REAL300000436992	0	32	-2.0	-119.93	323.06	4.97	-114.96
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=CN1C	REAL300000436993	0	35	-2.0	-127.10	335.84	3.75	-123.35
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=N1	REAL300000436994	0	35	-2.0	-114.34	337.37	3.40	-110.94
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000436995	0	32	-2.0	-111.85	311.67	1.89	-109.96
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000436996	0	36	-2.0	-120.80	340.79	4.14	-116.66
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000436997	0	35	-2.0	-119.44	326.78	5.62	-113.82
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2CC2)=C1	REAL300000436998	1	29	-2.0	-115.78	283.95	3.44	-112.34
CN1C=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=N1	REAL300000436999	0	32	-2.0	-123.58	316.13	2.38	-121.20
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437000	0	32	-2.0	-108.61	311.53	2.47	-106.14
COCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437001	0	32	-2.0	-110.35	308.18	1.65	-108.70
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)CC2CCCO2)=C1	REAL300000437002	0	36	-2.0	-121.89	330.64	3.06	-118.83
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)CC2CCCCO2)=C1	REAL300000437003	0	39	-2.0	-119.91	348.15	4.12	-115.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C(F)=C1	REAL300000437006	0	35	-2.0	-122.71	338.20	5.57	-117.14
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=CC=C1F	REAL300000437007	0	35	-2.0	-111.44	338.02	5.53	-105.91
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CNC=N2)=C1	REAL300000437008	0	29	-2.0	-124.02	292.59	2.23	-121.79
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)SC=C1	REAL300000437010	0	32	-2.0	-117.99	319.52	4.65	-113.34
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=N1	REAL300000437014	0	38	-2.0	-114.42	356.05	3.92	-110.50
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=CN1	REAL300000437016	0	38	-2.0	-123.97	355.26	3.27	-120.70
CC(C)OCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437019	0	38	-2.0	-111.12	350.31	3.37	-107.75
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437020	0	35	-2.0	-114.27	332.09	5.65	-108.62
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)S1	REAL300000437021	0	34	-2.0	-114.28	336.52	3.41	-110.87
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000437022	0	38	-2.0	-120.36	354.18	6.27	-114.09
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000437023	0	35	-2.0	-115.22	339.12	5.57	-109.65
CC(C)(C)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437024	1	40	-2.0	-114.86	351.24	5.07	-109.79
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)SC=C1	REAL300000437026	0	33	-2.0	-127.91	333.46	3.12	-124.79
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437027	0	32	-2.0	-105.82	326.26	3.79	-102.03
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)N=C1Cl	REAL300000437028	0	32	-2.0	-120.28	331.47	3.67	-116.61
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)S1	REAL300000437029	0	31	-2.0	-113.48	319.82	2.67	-110.81
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437030	0	39	-2.0	-113.35	363.66	1.88	-111.47
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)CCC2CC2)=C1	REAL300000437031	1	35	-2.0	-114.19	327.63	4.94	-109.25
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000437032	0	38	-2.0	-125.14	356.73	5.22	-119.92
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000437034	0	38	-2.0	-125.16	358.78	5.58	-119.58
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1F	REAL300000437035	0	35	-2.0	-124.28	337.10	5.56	-118.72
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C(C)O1	REAL300000437037	0	35	-2.0	-116.32	334.24	4.42	-111.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)O1	REAL300000437038	0	32	-2.0	-116.98	315.89	3.66	-113.32
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000437039	0	35	-2.0	-118.92	344.93	5.26	-113.66
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1	REAL300000437040	0	31	-2.0	-108.29	323.06	3.54	-104.75
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)N=C1C	REAL300000437041	0	38	-2.0	-127.35	356.91	4.64	-122.71
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)S1	REAL300000437042	0	34	-2.0	-113.15	341.31	3.42	-109.73
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)CC2CCCOC2)=C1	REAL300000437043	0	39	-2.0	-117.62	344.44	3.62	-114.00
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)CCC2=CC=CS2)=C1	REAL300000437044	0	35	-2.0	-114.01	346.15	5.49	-108.52
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=CO2)=C1	REAL300000437045	0	29	-2.0	-115.97	293.97	2.82	-113.15
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437046	0	31	-2.0	-102.43	305.75	1.25	-101.18
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300000437047	0	36	-2.0	-120.29	339.42	4.28	-116.01
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437048	0	38	-2.0	-118.22	341.50	6.56	-111.66
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)CCCCCl)=C1	REAL300000437049	1	34	-2.0	-112.45	334.66	4.77	-107.68
CC(C)(C#N)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437050	0	38	-2.0	-115.35	350.53	4.69	-110.66
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000437051	0	35	-2.0	-114.14	335.88	2.31	-111.83
CCCC(CC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437052	1	40	-2.0	-118.36	350.78	5.62	-112.74
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C(N)=NO1	REAL300000437053	0	33	-2.0	-106.19	318.83	2.21	-103.98
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CCCCC2)=C1	REAL300000437054	1	36	-2.0	-117.28	326.62	5.13	-112.15
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)S1	REAL300000437055	0	30	-2.0	-107.92	323.81	4.40	-103.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=N1	REAL300000437056	0	34	-2.0	-114.91	327.90	3.67	-111.24
COC(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437057	0	35	-2.0	-117.19	327.29	2.61	-114.58
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)N(C)N=C1	REAL300000437059	0	35	-2.0	-109.58	328.16	3.29	-106.29
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)O1	REAL300000437060	0	30	-2.0	-108.10	315.22	3.38	-104.72
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CSC=C2)=C1	REAL300000437061	0	29	-2.0	-114.67	302.40	3.75	-110.92
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=COC=C2)=C1	REAL300000437062	0	29	-2.0	-114.63	293.82	2.73	-111.90
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=N1	REAL300000437063	0	35	-2.0	-110.50	338.48	1.52	-108.98
CC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000437064	0	32	-2.0	-116.78	324.86	4.50	-112.28
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CNN=C2Cl)=C1	REAL300000437065	0	29	-2.0	-111.58	309.57	1.64	-109.94
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1	REAL300000437066	0	31	-2.0	-110.20	318.21	2.95	-107.25
CC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000437067	0	31	-2.0	-109.61	319.78	3.14	-106.47
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CNC(=O)S2)=C1	REAL300000437068	0	29	-2.0	-108.19	308.12	0.73	-107.46
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000437069	0	29	-2.0	-121.44	309.57	3.88	-117.56
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)CC1	REAL300000437070	0	36	-2.0	-121.61	332.83	3.89	-117.72
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437071	0	32	-2.0	-142.37	316.64	0.79	-141.58
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=NC=CN2)=C1	REAL300000437072	0	29	-2.0	-117.61	292.91	1.42	-116.19
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)S1	REAL300000437073	0	35	-2.0	-119.10	341.40	5.47	-113.63
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=NN1C	REAL300000437076	0	35	-2.0	-116.02	331.96	3.07	-112.95
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=C1	REAL300000437077	0	36	-2.0	-119.11	342.39	5.93	-113.18
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437078	0	35	-2.0	-114.98	334.67	3.20	-111.78
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000437079	0	32	-2.0	-107.22	327.17	3.44	-103.78
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437080	0	40	-2.0	-111.94	359.58	4.81	-107.13
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)CCCCF)=C1	REAL300000437081	1	34	-2.0	-112.50	324.10	4.29	-108.21
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F)OC	REAL300000437082	0	38	-2.0	-116.81	343.62	3.49	-113.32
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437083	0	44	-2.0	-117.47	380.70	4.73	-112.74
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)CCOCC2CC2)=C1	REAL300000437084	0	39	-2.0	-111.01	361.71	4.20	-106.81
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F)C1CC1	REAL300000437085	0	39	-2.0	-117.33	354.10	4.23	-113.10
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437086	0	31	-2.0	-106.55	310.05	2.74	-103.81
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000437087	0	31	-2.0	-119.29	311.79	3.02	-116.27
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)CCC2CCCCC2)=C1	REAL300000437088	1	44	-2.0	-114.86	376.71	6.57	-108.29
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)CCC2CCCC2)=C1	REAL300000437089	1	41	-2.0	-114.89	360.22	5.98	-108.91
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1	REAL300000437090	0	31	-2.0	-106.56	312.70	2.99	-103.57
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)CCOCC2CCC2)=C1	REAL300000437091	0	42	-2.0	-111.02	378.28	4.74	-106.28
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=CS1	REAL300000437092	0	30	-2.0	-120.64	321.69	4.23	-116.41
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F)C(C)C	REAL300000437094	0	41	-2.0	-117.89	360.80	4.06	-113.83
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F)C1CC1	REAL300000437097	0	42	-2.0	-118.18	374.71	5.19	-112.99
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)N1C	REAL300000437098	0	35	-2.0	-114.50	330.66	3.82	-110.68
CCC(C)(C)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437099	1	43	-2.0	-115.22	365.47	5.57	-109.65
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1	REAL300000437100	0	33	-2.0	-117.33	327.48	2.60	-114.73
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300000437100	1	32	-3.0	-203.24	323.91	3.46	-199.78
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437101	0	38	-2.0	-115.19	354.11	3.99	-111.20
NC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=N1	REAL300000437102	0	32	-2.0	-108.81	316.50	2.19	-106.62
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000437103	0	32	-2.0	-106.32	330.54	0.64	-105.68
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000437104	0	28	-2.0	-109.50	298.03	2.55	-106.95
CC(C)(CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F)C1CC1	REAL300000437105	1	44	-2.0	-115.43	374.94	6.33	-109.10
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)N=N1	REAL300000437106	0	31	-2.0	-118.13	310.09	1.16	-116.97
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437107	0	35	-2.0	-113.77	334.19	5.54	-108.23
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437108	0	34	-2.0	-103.02	326.52	2.17	-100.85
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=CN=C1N	REAL300000437110	0	36	-2.0	-117.06	339.31	2.55	-114.51
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437111	0	32	-2.0	-114.09	328.58	0.71	-113.38
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)N=CN1	REAL300000437112	0	32	-2.0	-125.00	310.22	2.91	-122.09
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437115	0	38	-2.0	-117.45	340.95	6.47	-110.98
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1	REAL300000437116	0	35	-2.0	-118.23	339.29	5.65	-112.58
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000437117	0	35	-2.0	-109.49	333.47	3.06	-106.43
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1C	REAL300000437118	0	38	-2.0	-120.13	343.78	6.14	-113.99
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=CS1	REAL300000437119	0	33	-2.0	-122.54	333.55	3.29	-119.25
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)O1	REAL300000437121	0	35	-2.0	-117.01	337.37	4.44	-112.57
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)S1	REAL300000437122	0	33	-2.0	-114.37	335.07	3.29	-111.08
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300000437123	0	35	-2.0	-111.64	343.96	3.54	-108.10
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1	REAL300000437124	0	35	-2.0	-120.87	332.93	5.75	-115.12
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=N1	REAL300000437125	0	34	-2.0	-113.99	332.00	1.71	-112.28
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1	REAL300000437126	0	29	-2.0	-110.34	311.04	3.44	-106.90
CC1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000437127	0	32	-2.0	-116.12	315.88	3.51	-112.61
CN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1Cl	REAL300000437128	0	32	-2.0	-111.70	331.18	2.88	-108.82
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)OC=C1	REAL300000437129	0	30	-2.0	-118.67	315.45	3.29	-115.38
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300000437130	0	29	-2.0	-113.68	310.06	3.34	-110.34
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C=CO1	REAL300000437132	0	30	-2.0	-116.32	314.25	3.25	-113.07
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)SC=C1	REAL300000437133	0	30	-2.0	-120.39	320.78	4.22	-116.17
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1OC(F)(F)F	REAL300000437134	0	38	-2.0	-110.56	353.01	4.11	-106.45
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000437135	0	35	-2.0	-113.13	342.35	1.18	-111.95
CC(C)C1CC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)C1	REAL300000437136	1	44	-2.0	-117.34	381.27	6.52	-110.82
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300000437137	0	33	-2.0	-118.62	322.31	1.98	-116.64
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000437138	0	28	-2.0	-107.33	296.95	2.43	-104.90
O=C([O-])C1=CC=C(OC(F)(F)F)C([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000437139	0	28	-2.0	-112.34	297.88	1.95	-110.39
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2OC(F)(F)F)=C1	REAL300000437140	0	35	-2.0	-123.58	338.20	5.57	-118.01
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1Br	REAL300000437149	1	28	-2.0	-101.03	297.36	5.29	-95.74
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C)=C2Br)=C1	REAL300000437152	1	31	-2.0	-97.04	313.29	5.96	-91.08
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1Br	REAL300000437159	1	28	-2.0	-95.99	296.44	5.40	-90.59
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1Br	REAL300000437162	0	32	-2.0	-104.23	308.02	4.83	-99.40
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1Br	REAL300000437172	1	30	-2.0	-104.20	300.39	4.39	-99.81
CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1Br	REAL300000437173	1	28	-2.0	-94.49	304.28	5.25	-89.24
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000437175	1	40	-2.0	-102.11	362.21	4.23	-97.88
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000437176	1	40	-2.0	-92.23	357.66	4.21	-88.02
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000437177	0	40	-2.0	-104.42	357.68	4.19	-100.23
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000437178	0	44	-2.0	-110.25	385.82	4.00	-106.25
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000437179	1	44	-2.0	-92.25	389.13	5.49	-86.76
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000437180	1	43	-2.0	-106.69	377.75	4.85	-101.84
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000437181	0	40	-2.0	-100.71	370.75	4.76	-95.95
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000437182	0	40	-2.0	-100.31	370.18	4.59	-95.72
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=N1	REAL300000437183	1	46	-2.0	-108.18	390.35	5.55	-102.63
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000437184	0	40	-2.0	-101.96	363.15	4.26	-97.70
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000437185	0	46	-2.0	-91.61	401.24	5.78	-85.83
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000437186	0	37	-2.0	-98.71	350.86	3.21	-95.50
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300000437187	1	43	-2.0	-106.06	373.12	4.98	-101.08
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000437188	1	44	-2.0	-90.98	388.74	4.47	-86.51
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000437189	0	41	-2.0	-102.84	364.33	3.55	-99.29
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=N1	REAL300000437190	1	44	-2.0	-106.47	381.88	3.02	-103.45
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=N1	REAL300000437191	0	40	-2.0	-94.93	366.79	3.88	-91.05
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=N1	REAL300000437192	1	46	-2.0	-107.17	389.14	5.52	-101.65
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000437193	0	37	-2.0	-100.24	349.33	3.23	-97.01
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000437194	1	44	-2.0	-110.24	384.96	4.27	-105.97
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=N1	REAL300000437195	1	49	-2.0	-108.24	411.58	6.22	-102.02
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=N1	REAL300000437196	1	46	-2.0	-104.83	387.80	5.94	-98.89
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=N1	REAL300000437197	0	47	-2.0	-110.12	408.11	4.76	-105.36
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000437198	0	42	-3.0	-177.98	386.08	4.77	-173.21
CCCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000437198	1	43	-2.0	-110.84	392.64	4.67	-106.17
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000437199	1	47	-2.0	-110.03	401.92	6.11	-103.92
CCCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=N1	REAL300000437200	0	40	-2.0	-98.99	360.68	3.34	-95.65
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=N1	REAL300000437201	0	44	-2.0	-105.45	386.66	3.29	-102.16
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=N1	REAL300000437202	1	47	-2.0	-91.39	408.82	5.18	-86.21
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=N1	REAL300000437203	0	43	-2.0	-96.65	378.39	5.02	-91.63
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000437204	0	44	-2.0	-90.55	394.97	4.54	-86.01
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)C=N1	REAL300000437205	1	47	-2.0	-110.94	406.81	5.18	-105.76
CCCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=N1	REAL300000437206	0	40	-2.0	-102.58	366.28	4.10	-98.48
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000437207	0	40	-2.0	-89.98	370.74	4.76	-85.22
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000437208	0	40	-2.0	-91.88	362.19	4.25	-87.63
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000437209	0	37	-2.0	-93.80	349.95	3.33	-90.47
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000437210	0	40	-2.0	-95.38	364.08	4.27	-91.11
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=N1	REAL300000437211	0	43	-2.0	-103.30	383.42	4.89	-98.41
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000437212	0	40	-2.0	-91.42	363.13	4.27	-87.15
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000437213	1	40	-2.0	-89.89	370.16	4.60	-85.29
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=N1	REAL300000437214	0	43	-2.0	-98.35	387.12	5.40	-92.95
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000437215	0	40	-2.0	-93.72	368.50	4.29	-89.43
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000437216	0	42	-2.0	-89.75	385.88	4.87	-84.88
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000437217	0	41	-2.0	-105.36	367.39	1.90	-103.46
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000437218	0	43	-2.0	-96.09	379.84	4.97	-91.12
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000437219	1	43	-2.0	-100.24	367.71	4.84	-95.40
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000437220	1	43	-2.0	-103.34	382.51	4.85	-98.49
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000437221	1	43	-2.0	-92.71	373.09	4.97	-87.74
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000437222	1	46	-2.0	-108.56	394.48	5.37	-103.19
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000437223	0	42	-2.0	-102.98	384.24	5.29	-97.69
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000437224	0	40	-2.0	-93.55	369.43	4.33	-89.22
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000437225	1	46	-2.0	-104.36	392.16	5.60	-98.76
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=N1	REAL300000437226	0	43	-2.0	-102.94	379.16	4.80	-98.14
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=N1	REAL300000437227	0	43	-2.0	-102.41	389.46	5.34	-97.07
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=N1	REAL300000437228	0	43	-2.0	-108.39	382.69	4.89	-103.50
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=N1	REAL300000437229	1	46	-2.0	-105.99	391.91	5.38	-100.61
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=N1	REAL300000437230	1	47	-2.0	-106.60	408.14	4.32	-102.28
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=N1	REAL300000437231	0	43	-2.0	-93.74	383.94	5.38	-88.36
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000437232	0	43	-2.0	-102.04	388.90	5.16	-96.88
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=N1	REAL300000437233	0	44	-2.0	-104.06	385.70	4.42	-99.64
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000437234	1	43	-2.0	-98.79	391.42	5.27	-93.52
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000437235	1	43	-2.0	-92.34	373.68	4.74	-87.60
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=N1	REAL300000437236	1	43	-2.0	-103.70	377.63	5.02	-98.68
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000437237	0	42	-2.0	-111.04	381.42	6.05	-104.99
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000437238	0	40	-2.0	-107.77	361.34	4.22	-103.55
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000437239	0	43	-2.0	-97.00	382.62	4.88	-92.12
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000437240	0	39	-2.0	-101.84	353.89	2.32	-99.52
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=N1	REAL300000437241	0	44	-2.0	-96.37	385.88	3.99	-92.38
CCCCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000437242	0	37	-2.0	-92.64	357.82	3.17	-89.47
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000437243	0	47	-2.0	-98.89	403.80	6.08	-92.81
CCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000437244	0	47	-2.0	-101.31	403.12	6.08	-95.23
CCCCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=N1	REAL300000437245	0	43	-2.0	-99.05	379.81	4.19	-94.86
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1NC(=O)N(C)C	REAL300000437248	1	43	-2.0	-124.84	372.65	5.64	-119.20
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1NC(=O)N(C)C	REAL300000437250	0	43	-2.0	-120.89	378.14	5.73	-115.16
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1NC(=O)N(C)C	REAL300000437251	0	40	-2.0	-118.47	363.92	4.62	-113.85
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1NC(=O)N(C)C	REAL300000437252	1	46	-2.0	-122.65	388.03	6.33	-116.32
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1NC(=O)N(C)C	REAL300000437253	1	44	-2.0	-122.91	379.29	5.01	-117.90
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(NC(=O)N(C)C)=C2)=C1	REAL300000437254	0	43	-2.0	-114.47	381.72	5.24	-109.23
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1NC(=O)N(C)C	REAL300000437255	0	40	-2.0	-118.85	364.72	4.68	-114.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(NC(=O)N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000437256	0	43	-2.0	-116.89	375.67	4.80	-112.09
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(NC(=O)N(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000437257	1	43	-2.0	-120.55	382.20	5.49	-115.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1NC(=O)N(C)C	REAL300000437258	1	43	-2.0	-110.06	377.17	5.70	-104.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1NC(=O)N(C)C	REAL300000437259	0	40	-2.0	-112.50	365.34	4.78	-107.72
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1NC(=O)N(C)C	REAL300000437260	1	43	-2.0	-115.28	376.99	5.72	-109.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1NC(=O)N(C)C	REAL300000437261	0	43	-2.0	-109.84	377.71	5.74	-104.10
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1NC(=O)N(C)C	REAL300000437262	0	44	-2.0	-122.73	382.78	3.36	-119.37
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1NC(=O)N(C)C	REAL300000437262	1	44	-2.0	-114.93	368.89	4.22	-110.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1NC(=O)N(C)C	REAL300000437263	1	46	-2.0	-113.67	394.81	6.44	-107.23
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1NC(=O)N(C)C	REAL300000437264	1	46	-2.0	-120.27	382.48	6.29	-113.98
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(NC(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000437266	1	47	-2.0	-124.42	398.56	5.86	-118.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1NC(=O)N(C)C	REAL300000437268	0	43	-2.0	-128.65	374.39	5.65	-123.00
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1NC(=O)N(C)C	REAL300000437269	0	42	-2.0	-119.97	367.72	3.67	-116.30
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(NC(=O)N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000437270	0	46	-2.0	-116.58	394.79	5.65	-110.93
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000437271	1	35	-2.0	-100.10	328.25	3.89	-96.21
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000437272	1	35	-2.0	-90.74	323.70	3.87	-86.87
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000437273	1	35	-2.0	-102.15	323.72	3.86	-98.29
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)C2=C1	REAL300000437274	0	39	-2.0	-107.22	351.86	3.66	-103.56
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C21	REAL300000437275	1	39	-2.0	-90.48	355.17	5.15	-85.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000437276	1	38	-2.0	-103.15	339.73	4.39	-98.76
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C21	REAL300000437277	0	35	-2.0	-97.99	336.79	4.43	-93.56
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000437278	1	35	-2.0	-98.24	336.22	4.25	-93.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)=C1C	REAL300000437279	1	41	-2.0	-105.07	356.11	5.18	-99.89
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000437280	0	35	-2.0	-99.17	329.19	3.92	-95.25
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C21	REAL300000437281	1	41	-2.0	-89.43	367.28	5.45	-83.98
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000437282	0	32	-2.0	-96.89	316.90	2.87	-94.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)C2=C1	REAL300000437283	1	38	-2.0	-103.24	339.15	4.64	-98.60
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000437285	0	36	-2.0	-100.75	330.36	3.23	-97.52
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)=C1	REAL300000437287	0	35	-2.0	-93.24	332.83	3.54	-89.70
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000437289	0	32	-2.0	-98.19	315.36	2.89	-95.30
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)C2=C1	REAL300000437291	1	44	-2.0	-105.04	377.61	5.87	-99.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)C2=C1	REAL300000437292	1	41	-2.0	-101.77	353.86	5.58	-96.19
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)C2=C1	REAL300000437293	0	42	-2.0	-107.41	374.15	4.42	-102.99
CN1C(=O)NC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C21	REAL300000437294	0	38	-2.0	-112.77	358.84	4.29	-108.48
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C21	REAL300000437294	1	37	-3.0	-175.80	352.13	4.42	-171.38
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C21	REAL300000437295	1	42	-2.0	-107.04	367.96	5.76	-101.28
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000437296	0	35	-2.0	-96.93	326.72	2.99	-93.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)=C1	REAL300000437297	0	39	-2.0	-103.26	352.70	2.95	-100.31
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=C21	REAL300000437298	0	35	-2.0	-95.17	341.31	4.45	-90.72
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)C2=C1	REAL300000437300	1	38	-2.0	-94.25	344.42	4.68	-89.57
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=C21	REAL300000437301	1	39	-2.0	-88.86	361.01	4.21	-84.65
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)C=C(C(=O)[O-])S1	REAL300000437303	1	35	-2.0	-99.83	333.41	3.76	-96.07
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C21	REAL300000437304	0	35	-2.0	-88.39	336.77	4.42	-83.97
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000437305	1	35	-2.0	-90.46	328.24	3.91	-86.55
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000437306	0	32	-2.0	-92.17	315.98	2.99	-89.18
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000437307	1	35	-2.0	-93.44	330.12	3.93	-89.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)=C1F	REAL300000437308	0	38	-2.0	-100.52	349.47	4.56	-95.96
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000437309	0	35	-2.0	-89.86	329.18	3.93	-85.93
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C21	REAL300000437310	1	35	-2.0	-88.35	336.21	4.26	-84.09
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)C2=C1	REAL300000437311	1	38	-2.0	-95.80	353.16	5.06	-90.74
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000437312	1	35	-2.0	-92.11	334.53	3.95	-88.16
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C21	REAL300000437313	0	37	-2.0	-87.91	351.90	4.53	-83.38
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000437314	0	36	-2.0	-102.18	333.43	1.56	-100.62
CN1C(=O)NC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000437314	1	36	-2.0	-103.73	332.63	2.38	-101.35
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000437315	1	38	-2.0	-93.66	345.88	4.64	-89.02
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000437316	1	35	-2.0	-93.37	344.42	4.39	-88.98
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)C2=C1	REAL300000437317	1	38	-2.0	-98.57	333.78	4.50	-94.07
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000437318	1	38	-2.0	-101.35	348.55	4.52	-96.83
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000437320	1	41	-2.0	-106.37	360.52	5.03	-101.34
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=C21	REAL300000437321	0	37	-2.0	-101.54	350.27	4.96	-96.58
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C21	REAL300000437322	0	35	-2.0	-91.23	335.47	3.99	-87.24
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000437324	0	38	-2.0	-101.36	349.03	4.56	-96.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)=C1Cl	REAL300000437325	0	38	-2.0	-99.63	355.46	5.00	-94.63
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)=C1	REAL300000437326	0	38	-2.0	-106.70	348.75	4.55	-102.15
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000437327	1	41	-2.0	-103.73	357.65	5.05	-98.68
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)C2=C1	REAL300000437329	1	38	-2.0	-92.10	349.98	5.04	-87.06
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000437330	1	38	-2.0	-99.91	354.94	4.83	-95.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000437331	0	39	-2.0	-102.00	351.74	4.08	-97.92
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000437332	1	38	-2.0	-96.79	357.46	4.93	-91.86
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)=CC=C1C(=O)[O-]	REAL300000437333	1	38	-2.0	-90.76	339.72	4.41	-86.35
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=C21	REAL300000437335	0	37	-2.0	-109.05	347.47	5.72	-103.33
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000437336	0	35	-2.0	-105.96	327.33	3.88	-102.08
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000437337	1	38	-2.0	-95.08	348.65	4.54	-90.54
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C21	REAL300000437338	1	41	-2.0	-110.01	364.75	5.98	-104.03
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000437339	0	34	-2.0	-99.28	320.71	1.91	-97.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C)C2=C1	REAL300000437340	0	39	-2.0	-94.53	351.91	3.66	-90.87
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000437341	0	32	-2.0	-90.89	323.87	2.85	-88.04
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C21	REAL300000437342	1	42	-2.0	-96.88	369.84	5.74	-91.14
CN1C(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C21	REAL300000437343	1	42	-2.0	-99.76	369.15	5.74	-94.02
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000437344	0	38	-2.0	-96.80	345.84	3.84	-92.96
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1OC(C)C	REAL300000437345	0	44	-2.0	-96.53	384.36	7.48	-89.05
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1OC(C)C	REAL300000437346	0	44	-2.0	-107.70	384.51	7.48	-100.22
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1OC(C)C	REAL300000437347	0	41	-2.0	-103.86	377.60	6.49	-97.37
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1OC(C)C	REAL300000437348	0	45	-2.0	-106.69	392.38	6.83	-99.86
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1OC(C)C	REAL300000437349	0	41	-2.0	-103.73	376.16	6.51	-97.22
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1OC(C)C	REAL300000437350	0	44	-2.0	-101.78	387.52	6.61	-95.17
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1OC(C)C	REAL300000437351	0	41	-2.0	-97.88	376.63	6.62	-91.26
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1OC(C)C	REAL300000437352	0	43	-2.0	-105.55	383.94	5.47	-100.08
CC1=CC=C(C2=CN=CC(F)=C2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000437354	1	40	-2.0	-110.67	361.19	7.48	-103.19
CC1=CC=C(C2=CN=CC(F)=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000437355	0	37	-2.0	-104.90	354.37	6.50	-98.40
CC1=CC=C(C2=CN=CC(F)=C2)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000437356	1	41	-2.0	-108.82	367.84	6.83	-101.99
CC1=CC=C(C2=CN=CC(F)=C2)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000437357	0	37	-2.0	-106.20	352.84	6.51	-99.69
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CN=CC(F)=C3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000437358	0	40	-2.0	-104.81	364.19	6.62	-98.19
CC1=CC=C(C2=CN=CC(F)=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000437359	0	37	-2.0	-99.56	353.45	6.61	-92.95
CC1=CC=C(C2=CN=CC(F)=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000437360	0	39	-2.0	-108.94	358.16	5.54	-103.40
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000437361	1	36	-2.0	-119.36	340.28	2.16	-117.20
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000437362	1	36	-2.0	-109.75	335.74	2.14	-107.61
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000437363	1	36	-2.0	-121.79	335.74	2.13	-119.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NC(N)=O)=C1	REAL300000437364	0	40	-2.0	-125.73	363.88	1.92	-123.81
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000437365	1	40	-2.0	-108.73	367.21	3.42	-105.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000437366	1	39	-2.0	-122.92	351.76	2.66	-120.26
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000437367	0	36	-2.0	-116.13	348.81	2.70	-113.43
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000437368	1	36	-2.0	-117.70	348.26	2.52	-115.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)=C1C	REAL300000437369	1	42	-2.0	-123.19	368.42	3.48	-119.71
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000437370	0	36	-2.0	-117.98	341.22	2.19	-115.79
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000437371	1	42	-2.0	-107.67	379.33	3.71	-103.96
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000437372	0	33	-2.0	-116.29	328.92	1.14	-115.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NC(N)=O)=C1	REAL300000437373	1	39	-2.0	-121.07	351.17	2.92	-118.15
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000437374	1	40	-2.0	-107.47	366.82	2.40	-105.07
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000437375	0	37	-2.0	-120.34	342.39	1.48	-118.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)=C1	REAL300000437377	0	36	-2.0	-112.58	344.85	1.81	-110.77
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000437378	1	42	-2.0	-122.62	366.81	3.47	-119.15
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000437379	0	33	-2.0	-117.66	327.39	1.16	-116.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000437380	1	40	-2.0	-127.69	363.03	2.19	-125.50
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NC(N)=O)=C1	REAL300000437381	1	42	-2.0	-119.04	365.91	3.85	-115.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000437382	0	36	-2.0	-114.98	338.77	1.27	-113.71
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)=C1	REAL300000437383	0	40	-2.0	-124.80	364.66	1.23	-123.57
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NC(N)=O)=C1	REAL300000437384	1	39	-2.0	-112.14	356.45	2.94	-109.20
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)C=C(C(=O)[O-])S1	REAL300000437385	0	36	-2.0	-117.71	345.43	2.02	-115.69
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000437386	0	36	-2.0	-107.14	348.79	2.69	-104.45
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000437387	1	36	-2.0	-109.33	340.27	2.17	-107.16
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000437388	0	33	-2.0	-111.45	328.01	1.25	-110.20
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000437389	1	36	-2.0	-112.74	342.15	2.19	-110.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)=C1F	REAL300000437390	0	39	-2.0	-119.46	361.50	2.83	-116.63
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000437391	0	36	-2.0	-109.29	341.20	2.20	-107.09
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000437392	1	36	-2.0	-107.27	348.24	2.53	-104.74
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000437393	1	36	-2.0	-111.09	346.57	2.22	-108.87
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000437394	0	37	-2.0	-119.43	345.44	-0.15	-119.58
NC(=O)NC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000437394	1	37	-2.0	-120.55	344.56	0.71	-119.84
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000437395	1	39	-2.0	-111.94	357.93	2.90	-109.04
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NC(N)=O)=C1	REAL300000437396	1	39	-2.0	-119.33	345.81	2.77	-116.56
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000437397	1	39	-2.0	-120.81	360.57	2.78	-118.03
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NC(N)=O)=C1	REAL300000437398	1	39	-2.0	-109.59	351.15	2.90	-106.69
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000437399	1	42	-2.0	-124.83	368.63	3.20	-121.63
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000437400	0	36	-2.0	-110.10	347.50	2.25	-107.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)C(C)=C1C(=O)[O-]	REAL300000437401	1	42	-2.0	-123.64	369.13	3.53	-120.11
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000437402	0	39	-2.0	-120.29	361.06	2.82	-117.47
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)=C1	REAL300000437403	0	39	-2.0	-128.27	360.78	2.82	-125.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000437404	1	42	-2.0	-123.62	370.02	3.32	-120.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000437405	0	40	-2.0	-121.68	363.87	2.34	-119.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000437406	1	39	-2.0	-109.85	351.75	2.67	-107.18
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NC(N)=O)=C1	REAL300000437407	1	39	-2.0	-118.92	355.28	2.97	-115.95
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000437408	0	36	-2.0	-127.50	339.40	2.16	-125.34
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000437409	1	39	-2.0	-113.52	356.92	2.70	-110.82
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000437410	0	35	-2.0	-117.25	332.73	0.18	-117.07
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)NC(N)=O)=C1	REAL300000437411	0	40	-2.0	-113.58	363.94	1.93	-111.65
NC(=O)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000437412	0	33	-2.0	-109.32	335.89	1.10	-108.22
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000437413	0	39	-2.0	-114.49	357.87	2.11	-112.38
O=C([O-])C1=CC(S(=O)(=O)N2CCCC3=CC(Cl)=CC=C32)=CC(C(=O)[O-])=C1	REAL300000437437	0	38	-2.0	-111.05	346.88	8.54	-102.51
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=CC(Cl)=CC=C32)=C1	REAL300000437455	0	36	-2.0	-108.27	328.95	6.77	-101.50
CN(C1=CC=CC2=CC=CN=C21)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000437506	0	39	-2.0	-115.96	362.97	7.55	-108.41
CN(C1=CC=CC2=CC=CN=C21)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000437528	0	37	-2.0	-116.77	332.56	5.65	-111.12
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(O[C@@H]3CCCC[C@H]3O)C=C2)=C1	REAL300000437562	0	43	-2.0	-105.15	380.74	3.89	-101.26
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O[C@@H]3CCCC[C@H]3O)C=C2)C=C1C(=O)[O-]	REAL300000437563	1	47	-2.0	-109.68	394.20	4.22	-105.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O[C@@H]3CCCC[C@H]3O)C=C2)=CS1	REAL300000437564	1	43	-2.0	-106.66	379.20	3.92	-102.74
CC1=C(S(=O)(=O)[N-]C2=CC=C(O[C@@H]3CCCC[C@H]3O)C=C2)C=C(C(=O)[O-])O1	REAL300000437565	0	46	-2.0	-104.98	390.56	4.01	-100.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O[C@@H]3CCCC[C@H]3O)C=C2)S1	REAL300000437566	0	43	-2.0	-100.23	379.80	4.01	-96.22
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(O[C@@H]3CCCC[C@H]3O)C=C2)=C1	REAL300000437567	0	45	-2.0	-108.86	383.75	2.99	-105.87
CC1=CC=C(OCC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000437568	0	45	-2.0	-102.62	398.08	9.01	-93.61
CC1=CC=C(OCC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000437569	0	45	-2.0	-115.99	398.08	9.00	-106.99
CC1=CC=C(OCC2=CC=CC=C2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000437570	0	44	-2.0	-114.04	394.29	7.12	-106.92
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC(C)=C1Cl	REAL300000437571	1	41	-2.0	-85.90	376.31	5.26	-80.64
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437572	1	34	-2.0	-102.04	324.37	6.71	-95.33
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(Cl)C(C)=C1	REAL300000437573	0	42	-2.0	-103.34	379.46	7.76	-95.58
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437575	1	34	-2.0	-104.54	319.84	6.68	-97.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(Cl)C(C)=C1	REAL300000437576	0	38	-2.0	-110.13	347.98	6.47	-103.66
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC(C)=C1Cl	REAL300000437577	1	38	-2.0	-91.87	351.30	7.97	-83.90
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC(C)=C1Cl	REAL300000437579	0	34	-2.0	-100.26	332.91	7.25	-93.01
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437580	1	34	-2.0	-100.38	332.34	7.07	-93.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C(C)=C2)=C1C	REAL300000437581	1	40	-2.0	-107.55	352.23	7.99	-99.56
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(C)=C1Cl	REAL300000437582	0	34	-2.0	-101.85	325.31	6.74	-95.11
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC(C)=C1Cl	REAL300000437583	1	40	-2.0	-91.14	363.40	8.26	-82.88
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(C)=C1Cl	REAL300000437584	0	31	-2.0	-98.77	313.02	5.69	-93.08
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(Cl)C(C)=C1	REAL300000437585	1	37	-2.0	-105.62	335.28	7.46	-98.16
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437587	1	35	-2.0	-102.99	326.49	6.03	-96.96
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C(C)=C2)=C1	REAL300000437589	0	34	-2.0	-94.99	328.97	6.35	-88.64
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437591	0	31	-2.0	-100.21	311.49	5.71	-94.50
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000437592	1	42	-2.0	-104.89	378.17	6.49	-98.40
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC(C)=C1Cl	REAL300000437594	1	44	-2.0	-109.53	375.10	9.29	-100.24
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC(C)=C1Cl	REAL300000437595	1	43	-2.0	-107.91	373.74	8.68	-99.23
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(Cl)C(C)=C1	REAL300000437596	1	40	-2.0	-104.08	349.96	8.40	-95.68
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(Cl)C(C)=C1	REAL300000437597	0	41	-2.0	-110.58	370.27	7.24	-103.34
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437598	0	37	-2.0	-107.22	354.75	7.11	-100.11
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437598	1	36	-3.0	-179.28	348.24	7.24	-172.04
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC(C)=C1Cl	REAL300000437599	1	41	-2.0	-109.84	364.08	8.57	-101.27
CC1=C(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000437600	0	34	-2.0	-98.60	322.85	5.81	-92.79
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437601	1	40	-2.0	-109.32	362.00	6.45	-102.87
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C(C)=C2)=C1	REAL300000437602	0	38	-2.0	-105.50	348.80	5.77	-99.73
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC(C)=C1Cl	REAL300000437604	0	34	-2.0	-96.97	337.43	7.27	-89.70
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC(C)=C1Cl	REAL300000437606	1	37	-2.0	-96.17	340.55	7.49	-88.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC(C)=C1Cl	REAL300000437607	1	38	-2.0	-90.08	357.13	7.02	-83.06
CC1=C(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000437609	1	34	-2.0	-101.91	329.53	6.56	-95.35
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC(C)=C1Cl	REAL300000437610	0	34	-2.0	-89.76	332.89	7.24	-82.52
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C)=C1Cl	REAL300000437611	1	34	-2.0	-91.63	324.37	6.72	-84.91
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(C)=C1Cl	REAL300000437612	0	31	-2.0	-93.73	312.11	5.81	-87.92
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437613	1	34	-2.0	-95.36	326.24	6.74	-88.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C(C)=C2)=C1F	REAL300000437614	0	37	-2.0	-103.28	345.58	7.37	-95.91
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(C)=C1Cl	REAL300000437615	0	34	-2.0	-91.52	325.30	6.75	-84.77
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(C)=C1Cl	REAL300000437616	1	34	-2.0	-89.74	332.34	7.08	-82.66
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC(C)=C1Cl	REAL300000437617	1	37	-2.0	-97.86	349.28	7.88	-89.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC(C)=C1Cl	REAL300000437618	1	42	-2.0	-88.68	383.58	8.09	-80.59
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437619	1	34	-2.0	-93.57	330.66	6.77	-86.80
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437620	1	36	-2.0	-89.56	348.03	7.35	-82.21
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(C)=C1Cl	REAL300000437621	0	35	-2.0	-104.58	329.55	4.39	-100.19
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(C)=C1Cl	REAL300000437621	1	35	-2.0	-103.09	328.74	5.18	-97.91
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(C)=C1Cl	REAL300000437622	1	37	-2.0	-95.82	342.01	7.45	-88.37
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437623	1	34	-2.0	-94.96	340.54	7.21	-87.75
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(C)=C1Cl	REAL300000437624	1	37	-2.0	-101.59	333.67	7.41	-94.18
CC1=CC(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C(C)=C2)=CC(C(=O)[O-])=C1F	REAL300000437625	1	37	-2.0	-103.31	344.67	7.33	-95.98
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437628	0	36	-2.0	-102.85	346.41	7.77	-95.08
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC(C)=C1Cl	REAL300000437629	0	34	-2.0	-93.51	331.59	6.80	-86.71
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000437631	0	37	-2.0	-102.96	341.31	7.28	-95.68
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC(C)=C1Cl	REAL300000437632	0	37	-2.0	-102.02	351.62	7.81	-94.21
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C(C)=C2)=C1	REAL300000437633	0	37	-2.0	-109.19	344.85	7.37	-101.82
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC(C)=C1Cl	REAL300000437636	1	37	-2.0	-94.79	350.38	7.94	-86.85
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437637	1	37	-2.0	-102.12	351.06	7.64	-94.48
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000437638	1	38	-2.0	-104.22	347.79	6.88	-97.34
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437640	1	37	-2.0	-98.99	353.58	7.75	-91.24
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC(C)=C1Cl	REAL300000437642	0	39	-2.0	-96.60	363.09	8.87	-87.73
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC(C)=C1Cl	REAL300000437644	0	36	-2.0	-111.50	343.56	8.52	-102.98
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(C)=C1Cl	REAL300000437645	0	34	-2.0	-108.41	323.50	6.71	-101.70
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437646	1	37	-2.0	-97.18	344.77	7.35	-89.83
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437647	1	40	-2.0	-112.81	360.87	8.80	-104.01
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(C)=C1Cl	REAL300000437648	0	33	-2.0	-102.17	316.06	4.80	-97.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=C(Cl)C(C)=C1	REAL300000437649	0	38	-2.0	-96.45	348.04	6.47	-89.98
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(C)=C1Cl	REAL300000437650	0	31	-2.0	-92.43	319.98	5.66	-86.77
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC(C)=C1Cl	REAL300000437651	1	41	-2.0	-98.86	365.96	8.56	-90.30
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC(C)=C1Cl	REAL300000437652	1	41	-2.0	-101.43	363.93	8.55	-92.88
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000437653	0	37	-2.0	-98.55	341.96	6.66	-91.89
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437654	1	44	-2.0	-136.46	380.71	8.37	-128.09
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F)CCCC2	REAL300000437657	0	38	-2.0	-141.41	334.43	7.98	-133.43
O=C([O-])C1=CC2=C(C=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)CCCC2	REAL300000437658	0	41	-2.0	-97.64	357.70	7.36	-90.28
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1)CCCC2	REAL300000437659	0	37	-2.0	-121.97	337.81	6.34	-115.63
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437660	1	39	-2.0	-127.81	346.76	8.10	-119.71
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000437661	1	39	-2.0	-123.23	346.75	8.10	-115.13
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F)CCCC2	REAL300000437662	0	38	-2.0	-129.98	348.15	8.29	-121.69
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437663	0	39	-2.0	-141.03	344.03	7.98	-133.05
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)=CC=C1F	REAL300000437664	0	41	-2.0	-102.95	357.19	8.24	-94.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1[N+](=O)[O-]	REAL300000437665	1	43	-2.0	-130.89	370.19	8.90	-121.99
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)CCCC2	REAL300000437666	1	41	-2.0	-123.84	364.66	8.71	-115.13
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000437668	0	41	-2.0	-103.41	352.47	8.21	-95.20
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437669	0	46	-2.0	-141.60	383.67	6.79	-134.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1OC	REAL300000437670	1	46	-2.0	-131.95	384.67	6.92	-125.03
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437672	0	40	-2.0	-122.23	339.00	6.67	-115.56
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437673	0	41	-2.0	-119.81	352.67	8.21	-111.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437673	1	40	-3.0	-211.27	354.39	8.27	-203.00
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1)CCCC2	REAL300000437674	1	38	-2.0	-121.36	338.65	7.82	-113.54
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)CCCC2	REAL300000437675	1	41	-2.0	-128.43	364.66	8.71	-119.72
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437676	1	41	-2.0	-134.94	347.33	8.38	-126.56
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F)CCCC2	REAL300000437678	0	41	-2.0	-134.53	350.28	9.08	-125.45
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1)CCCC2	REAL300000437679	1	38	-2.0	-129.16	342.65	8.23	-120.93
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000437680	1	43	-2.0	-131.29	368.68	8.20	-123.09
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437681	1	44	-2.0	-133.82	362.84	9.14	-124.68
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1)CCCC2	REAL300000437683	1	38	-2.0	-121.76	348.54	8.27	-113.49
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437684	1	43	-2.0	-143.90	367.19	8.11	-135.79
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1)CCCC2	REAL300000437689	0	35	-2.0	-124.25	334.90	7.33	-116.92
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437691	0	42	-2.0	-140.25	354.20	7.50	-132.75
CC1=CC=C(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1C(=O)[O-]	REAL300000437692	0	44	-2.0	-120.27	368.57	8.74	-111.53
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)CCCC2	REAL300000437693	0	38	-2.0	-127.51	343.99	7.90	-119.61
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl)CCCC2	REAL300000437694	0	38	-2.0	-132.96	339.06	8.28	-124.68
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)CCCC2	REAL300000437695	1	40	-2.0	-128.73	354.14	8.38	-120.35
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437696	1	43	-2.0	-124.81	369.64	9.15	-115.66
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CS1)CCCC2	REAL300000437697	0	35	-2.0	-130.88	317.86	6.71	-124.17
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])CCCC2	REAL300000437699	0	40	-2.0	-145.79	347.04	9.12	-136.67
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F)CCCC2	REAL300000437702	0	38	-2.0	-128.99	337.82	7.84	-121.15
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1)CCCC2	REAL300000437703	1	38	-2.0	-129.30	332.33	7.78	-121.52
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1)CCCC2	REAL300000437704	1	38	-2.0	-122.35	338.75	7.85	-114.50
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3OCCOC3=C1)CCCC2	REAL300000437706	1	44	-2.0	-133.94	370.43	6.87	-127.07
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1)CCCC2	REAL300000437708	1	38	-2.0	-125.77	342.65	8.23	-117.54
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)CCCC2	REAL300000437709	0	40	-2.0	-118.93	354.15	8.38	-110.55
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC=C1)CCCC2	REAL300000437710	1	38	-2.0	-133.75	325.92	7.71	-126.04
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000437711	1	45	-2.0	-138.17	381.97	6.60	-131.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000437712	0	38	-2.0	-132.55	339.76	7.51	-125.04
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437713	0	42	-2.0	-132.35	370.91	8.02	-124.33
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437714	0	40	-3.0	-205.33	359.86	8.33	-197.00
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437715	1	43	-2.0	-128.50	364.21	8.98	-119.52
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F)CCCC2	REAL300000437716	0	38	-2.0	-131.75	337.83	7.84	-123.91
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3NC(=O)NC3=C1)CCCC2	REAL300000437717	1	42	-2.0	-126.45	361.67	4.53	-121.92
CSC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000437718	1	42	-2.0	-131.19	366.12	8.73	-122.46
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3NC(=O)CC3=C1)CCCC2	REAL300000437719	1	43	-2.0	-128.34	367.96	6.15	-122.19
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437721	0	37	-3.0	-203.29	347.58	7.29	-196.00
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3NC(=O)OC3=C1)CCCC2	REAL300000437722	1	41	-2.0	-125.49	357.68	5.21	-120.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437724	0	44	-2.0	-99.76	365.90	8.97	-90.79
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437724	1	43	-3.0	-205.78	369.82	9.04	-196.74
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437725	0	44	-2.0	-131.65	362.63	6.75	-124.90
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000437726	1	44	-2.0	-127.12	380.69	8.38	-118.74
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000437727	1	45	-2.0	-131.42	382.36	5.99	-125.43
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000437728	1	42	-2.0	-131.14	360.43	4.49	-126.65
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC3=CC=CC=C3C=C1)CCCC2	REAL300000437730	1	44	-2.0	-138.10	371.87	9.99	-128.11
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=CS1	REAL300000437731	0	41	-2.0	-142.78	365.51	8.02	-134.76
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000437732	1	48	-2.0	-132.31	402.49	8.22	-124.09
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC=C1F)CCCC2	REAL300000437735	0	38	-2.0	-139.01	331.43	7.77	-131.24
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=C(C=C3C(=O)[O-])CCCC4)=C2N=C1	REAL300000437736	0	46	-2.0	-152.16	387.26	8.99	-143.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(Cl)=C1	REAL300000437738	0	41	-2.0	-133.20	360.47	8.94	-124.26
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3OC(=O)C=CC3=C1)CCCC2	REAL300000437739	1	43	-2.0	-124.38	373.62	9.22	-115.16
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl)CCCC2	REAL300000437741	0	38	-2.0	-123.90	345.45	8.34	-115.56
CN1C=C(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1C(=O)[O-]	REAL300000437743	0	42	-2.0	-117.41	360.88	7.62	-109.79
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1C(=O)[O-]	REAL300000437743	1	41	-3.0	-208.84	361.04	7.63	-201.21
CN1C=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1Cl	REAL300000437744	0	38	-2.0	-140.04	343.40	7.29	-132.75
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1C(N)=O	REAL300000437745	0	43	-2.0	-129.54	367.91	3.88	-125.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1F	REAL300000437747	1	42	-2.0	-128.77	361.65	7.09	-121.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1C(N)=O	REAL300000437750	1	45	-2.0	-126.58	376.59	5.17	-121.41
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000437751	0	38	-2.0	-128.93	330.48	5.42	-123.51
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437752	1	43	-2.0	-118.01	369.63	9.15	-108.86
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CN1C	REAL300000437754	0	46	-2.0	-130.45	389.84	5.37	-125.08
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437755	1	41	-2.0	-127.27	358.14	8.99	-118.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437758	0	40	-3.0	-199.58	363.50	7.96	-191.62
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1Cl	REAL300000437759	1	39	-2.0	-119.83	362.15	8.52	-111.31
N#CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CC=C1Cl	REAL300000437760	1	39	-2.0	-120.44	362.18	8.52	-111.92
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3COC(=O)C3=C1)CCCC2	REAL300000437761	1	42	-2.0	-137.47	364.29	8.08	-129.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1Cl	REAL300000437762	1	41	-2.0	-130.32	361.41	8.82	-121.50
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F)CCCC2	REAL300000437763	0	38	-2.0	-135.19	347.60	8.28	-126.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1F	REAL300000437764	1	41	-2.0	-130.03	352.66	8.42	-121.61
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437765	1	41	-2.0	-124.62	358.14	8.98	-115.64
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437766	0	41	-2.0	-139.58	352.83	8.44	-131.14
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437767	1	41	-2.0	-126.99	347.82	8.54	-118.45
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437769	0	43	-2.0	-147.27	359.54	9.95	-137.32
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437770	0	46	-2.0	-152.39	387.19	8.99	-143.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CS1	REAL300000437771	0	37	-3.0	-205.22	346.05	7.30	-197.92
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)=CS1	REAL300000437771	1	38	-2.0	-102.34	345.57	7.29	-95.05
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C2=CC=CN=C2C=C1	REAL300000437772	1	46	-2.0	-135.45	376.08	9.09	-126.36
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-])CCCC2	REAL300000437773	0	40	-2.0	-137.23	353.41	9.19	-128.04
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])CCCC2	REAL300000437774	0	40	-2.0	-141.93	359.34	9.08	-132.85
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437777	0	42	-2.0	-138.24	357.04	6.08	-132.16
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437777	1	42	-2.0	-117.05	350.87	6.90	-110.15
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CNN=C1)CCCC2	REAL300000437778	0	35	-2.0	-125.50	307.52	4.11	-121.39
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000437779	0	41	-2.0	-124.85	373.80	7.46	-117.39
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC3=C1COC3=O)CCCC2	REAL300000437780	1	42	-2.0	-122.93	363.74	8.08	-114.85
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)CCCC2	REAL300000437781	0	38	-2.0	-129.66	340.83	8.06	-121.60
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C(C(=O)[O-])O1	REAL300000437782	0	40	-3.0	-198.88	357.41	7.42	-191.46
CC1=C(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C(C(=O)[O-])O1	REAL300000437782	1	41	-2.0	-100.13	355.08	6.95	-93.18
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=C3NC=CC=C13)CCCC2	REAL300000437783	0	41	-2.0	-155.15	354.13	6.92	-148.23
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437784	0	48	-2.0	-143.15	397.46	9.09	-134.06
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(N3C=NN=N3)=C1)CCCC2	REAL300000437785	1	43	-2.0	-142.59	374.25	7.87	-134.72
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])CCCC2	REAL300000437786	0	40	-2.0	-149.80	351.88	9.33	-140.47
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(C3=CC=CC=C3)N=C1)CCCC2	REAL300000437787	0	45	-2.0	-131.78	386.49	8.83	-122.95
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1)CCCC2	REAL300000437788	0	37	-2.0	-122.32	327.35	5.99	-116.33
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437789	0	41	-2.0	-131.05	373.98	7.38	-123.67
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC3=NC=CC=C13)CCCC2	REAL300000437790	1	43	-2.0	-134.80	362.09	8.13	-126.67
CN1C=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437791	0	38	-2.0	-144.96	330.11	6.79	-138.17
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC4=C(C=C3C(=O)[O-])CCCC4)C=C12	REAL300000437793	0	42	-2.0	-121.34	365.69	4.69	-116.65
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000437794	0	38	-2.0	-119.26	341.89	6.23	-113.03
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F)CCCC2	REAL300000437795	0	38	-2.0	-136.50	337.71	7.84	-128.66
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(F)=C1	REAL300000437796	0	42	-2.0	-136.24	363.90	7.29	-128.95
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC3=C1OCCO3)CCCC2	REAL300000437797	0	44	-2.0	-139.84	369.07	7.35	-132.49
CC1=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CN1C	REAL300000437798	0	41	-2.0	-147.06	350.48	6.63	-140.43
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F)CCCC2	REAL300000437799	0	42	-2.0	-134.84	363.94	7.76	-127.08
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000437800	0	41	-2.0	-129.19	352.00	6.28	-122.91
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437801	1	45	-2.0	-135.32	380.99	7.43	-127.89
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3COCC3=C1)CCCC2	REAL300000437802	1	43	-2.0	-132.37	361.89	7.01	-125.36
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl)CCCC2	REAL300000437803	0	38	-2.0	-126.34	345.46	8.34	-118.00
CC1=NNC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437806	0	38	-2.0	-126.41	326.36	4.75	-121.66
COC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437807	1	42	-2.0	-135.83	355.42	7.01	-128.82
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437808	1	41	-2.0	-132.46	341.00	8.50	-123.96
CN1C=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=N1	REAL300000437809	0	38	-2.0	-139.52	330.78	5.26	-134.26
CN1N=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437810	0	38	-2.0	-124.03	326.19	5.34	-118.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(F)=C1	REAL300000437816	0	41	-2.0	-139.08	352.84	8.45	-130.63
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CNC=N1)CCCC2	REAL300000437818	0	35	-2.0	-138.81	307.24	5.11	-133.70
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)O1	REAL300000437819	0	41	-2.0	-126.02	365.48	6.50	-119.52
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC3=CC=CN=C31)CCCC2	REAL300000437820	0	43	-2.0	-151.70	365.87	8.35	-143.35
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)CCCC2	REAL300000437821	0	38	-2.0	-122.27	344.13	7.89	-114.38
CC1=C(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C(C(=O)[O-])S1	REAL300000437822	0	41	-2.0	-102.60	361.13	7.73	-94.87
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C(C(=O)[O-])S1	REAL300000437822	1	40	-3.0	-201.28	364.08	8.15	-193.13
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437823	0	42	-2.0	-133.07	368.54	7.57	-125.50
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CN=C1Cl	REAL300000437824	0	40	-2.0	-123.40	356.59	6.93	-116.47
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437827	0	50	-2.0	-133.09	405.05	8.33	-124.76
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)SC=C1	REAL300000437828	0	38	-2.0	-132.55	334.15	7.53	-125.02
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1C	REAL300000437829	0	47	-2.0	-132.01	384.44	7.62	-124.39
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CC=C1[N+](=O)[O-]	REAL300000437830	0	43	-2.0	-120.14	370.21	8.89	-111.25
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437833	1	42	-2.0	-125.39	362.19	8.87	-116.52
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437834	0	42	-2.0	-134.72	363.56	8.18	-126.54
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437835	1	42	-2.0	-122.22	362.18	8.86	-113.36
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(F)=C1	REAL300000437837	0	39	-2.0	-127.58	352.22	8.17	-119.41
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC4=C(C=C3C(=O)[O-])CCCC4)C=C2O1	REAL300000437838	1	43	-2.0	-131.12	369.58	5.37	-125.75
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000437839	0	44	-2.0	-130.19	370.69	6.80	-123.39
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC3=CC=CN=C3C=C1)CCCC2	REAL300000437840	1	43	-2.0	-134.51	366.91	8.10	-126.41
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000437841	0	44	-2.0	-133.21	385.27	6.48	-126.73
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CN1	REAL300000437842	0	44	-2.0	-140.54	369.73	6.16	-134.38
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1)CCCC2	REAL300000437845	1	38	-2.0	-115.12	344.91	7.89	-107.23
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CN1C	REAL300000437847	0	45	-2.0	-135.47	387.09	7.82	-127.65
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1F	REAL300000437848	0	41	-2.0	-102.58	357.14	8.25	-94.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1F	REAL300000437848	1	40	-3.0	-193.44	358.92	8.31	-185.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000437850	0	37	-3.0	-197.12	346.65	7.39	-189.73
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437851	0	47	-2.0	-145.56	390.68	8.96	-136.60
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437852	0	41	-2.0	-97.58	359.08	8.27	-89.31
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437852	1	40	-3.0	-201.36	360.80	8.34	-193.02
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CN1	REAL300000437853	0	42	-2.0	-131.87	369.34	6.06	-125.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(F)=C1	REAL300000437854	0	40	-3.0	-196.25	359.84	8.34	-187.91
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)C(F)=C1	REAL300000437854	1	41	-2.0	-108.34	357.38	7.89	-100.45
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437855	1	41	-2.0	-128.86	346.73	8.51	-120.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CS1	REAL300000437856	0	41	-2.0	-130.76	373.21	7.39	-123.37
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000437857	0	40	-2.0	-129.84	351.16	6.28	-123.56
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000437858	1	42	-2.0	-136.47	368.17	8.89	-127.58
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437859	1	44	-2.0	-135.38	368.81	9.14	-126.24
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437860	1	41	-2.0	-129.95	353.75	8.45	-121.50
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437862	0	44	-2.0	-127.88	383.83	7.16	-120.72
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3NC(=O)C=CC3=C1)CCCC2	REAL300000437863	1	44	-2.0	-127.24	377.32	6.78	-120.46
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C(F)C=C1F	REAL300000437864	0	41	-2.0	-129.36	358.13	8.47	-120.89
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC3=CC=CC=C31)CCCC2	REAL300000437865	1	44	-2.0	-143.59	366.98	10.03	-133.56
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=C3C=CSC3=C1)CCCC2	REAL300000437866	0	40	-2.0	-130.88	357.94	7.20	-123.68
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437867	0	41	-3.0	-203.13	364.12	5.98	-197.15
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437867	1	41	-3.0	-204.54	357.85	6.80	-197.74
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC3=C1CCCC3)CCCC2	REAL300000437868	1	48	-2.0	-138.02	381.24	10.32	-127.70
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000437869	0	44	-2.0	-101.81	374.75	8.99	-92.82
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000437869	1	43	-3.0	-196.78	376.56	9.06	-187.72
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)O1	REAL300000437870	0	44	-2.0	-126.41	387.34	7.43	-118.98
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)CCCC2	REAL300000437871	0	40	-2.0	-120.23	360.55	8.45	-111.78
COC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)SC=C1	REAL300000437873	0	39	-2.0	-139.23	348.10	6.01	-133.22
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC3=CC=CC=C3O1)CCCC2	REAL300000437874	0	41	-2.0	-137.15	355.69	8.10	-129.05
CC1=NC2=C(S(=O)(=O)[N-]C3=CC4=C(C=C3C(=O)[O-])CCCC4)C=CC=C2C=C1	REAL300000437875	0	46	-2.0	-154.17	387.45	8.96	-145.21
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437876	0	40	-2.0	-137.74	359.17	6.47	-131.27
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437877	0	38	-2.0	-121.27	340.91	6.66	-114.61
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)N=C1Cl	REAL300000437878	0	38	-2.0	-135.27	346.12	6.54	-128.73
COC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CC(OC)=C1	REAL300000437879	1	46	-2.0	-137.26	384.91	6.32	-130.94
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC3=NON=C31)CCCC2	REAL300000437880	0	39	-2.0	-139.32	341.77	6.46	-132.86
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437881	0	39	-2.0	-121.21	348.16	5.54	-115.67
CC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000437882	0	37	-2.0	-128.55	334.47	5.54	-123.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437883	0	44	-2.0	-120.80	361.44	8.87	-111.93
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437883	1	43	-3.0	-212.22	364.46	8.90	-203.32
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437885	0	44	-2.0	-101.90	365.90	8.97	-92.93
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(F)=C1	REAL300000437886	0	39	-2.0	-128.12	355.21	8.38	-119.74
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1F	REAL300000437887	0	41	-2.0	-132.14	358.12	8.48	-123.66
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437890	0	44	-2.0	-140.96	371.38	8.10	-132.86
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000437891	0	43	-2.0	-122.47	376.67	6.55	-115.92
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437892	1	46	-2.0	-143.86	389.02	8.98	-134.88
COCCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000437893	0	45	-2.0	-127.26	385.67	5.33	-121.93
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C([N+](=O)[O-])=N1	REAL300000437894	0	43	-2.0	-139.40	376.23	8.54	-130.86
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1C#N	REAL300000437896	0	42	-2.0	-142.31	363.20	8.49	-133.82
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000437897	0	47	-2.0	-133.75	398.93	9.36	-124.39
CCCN1C=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437898	0	44	-2.0	-144.48	373.42	8.46	-136.02
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(C3CCOC3)N=C1)CCCC2	REAL300000437899	0	46	-2.0	-127.45	383.98	5.47	-121.98
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1F	REAL300000437900	0	41	-2.0	-140.42	351.73	8.43	-131.99
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000437901	1	44	-2.0	-125.45	374.98	5.33	-120.12
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN3CCCCC3=N1)CCCC2	REAL300000437902	0	45	-2.0	-148.92	371.88	7.74	-141.18
COCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000437903	1	45	-2.0	-132.78	380.99	7.44	-125.34
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437904	0	43	-2.0	-132.61	365.21	4.70	-127.91
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1Cl	REAL300000437905	0	41	-2.0	-134.71	357.82	8.85	-125.86
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C(C)O1	REAL300000437907	0	41	-2.0	-129.28	348.91	7.29	-121.99
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437909	1	45	-2.0	-132.33	372.53	7.73	-124.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)O1	REAL300000437911	0	38	-2.0	-132.87	330.53	6.53	-126.34
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437912	0	41	-2.0	-134.17	359.57	8.13	-126.04
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3OCOC3=C1)CCCC2	REAL300000437913	1	41	-2.0	-129.41	351.99	6.37	-123.04
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C2=NC=CC=C2C=C1	REAL300000437914	0	46	-2.0	-151.94	379.55	9.48	-142.46
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1)CCCC2	REAL300000437915	0	44	-2.0	-136.33	375.20	9.71	-126.62
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1)CCCC2	REAL300000437916	0	40	-2.0	-116.75	358.67	8.41	-108.34
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1)CCCC2	REAL300000437917	1	38	-2.0	-122.90	349.07	8.30	-114.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C(C)O1	REAL300000437918	0	44	-2.0	-123.94	383.77	7.28	-116.66
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1)CCCC2	REAL300000437919	0	37	-2.0	-122.67	337.70	6.41	-116.26
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)N=C1C	REAL300000437920	0	44	-2.0	-147.22	371.64	7.51	-139.71
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437921	0	41	-2.0	-133.75	360.48	8.94	-124.81
CCN1C=C(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1C(=O)[O-]	REAL300000437922	0	45	-2.0	-106.09	382.19	8.48	-97.61
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1C(=O)[O-]	REAL300000437922	1	44	-3.0	-212.03	382.42	8.49	-203.54
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437923	0	41	-2.0	-130.42	365.82	6.45	-123.97
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437924	0	50	-2.0	-133.24	405.41	8.28	-124.96
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)CCCC2	REAL300000437925	0	38	-2.0	-136.99	341.98	8.51	-128.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(Cl)=N1	REAL300000437926	0	40	-2.0	-131.48	355.82	7.03	-124.45
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437927	0	43	-2.0	-129.64	374.96	7.90	-121.74
CCC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000437928	0	40	-2.0	-128.33	355.95	6.29	-122.04
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000437929	0	40	-2.0	-125.92	364.05	8.04	-117.88
COC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CN=C1Cl	REAL300000437930	0	41	-2.0	-121.05	366.79	5.66	-115.39
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(Cl)=C1	REAL300000437932	0	39	-2.0	-122.66	359.80	8.67	-113.99
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C3OC=CC3=CC=C1)CCCC2	REAL300000437933	0	41	-2.0	-143.99	353.86	8.02	-135.97
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437934	0	43	-2.0	-128.43	375.90	6.57	-121.86
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437938	0	38	-2.0	-125.40	354.91	7.93	-117.47
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1)CCCC2	REAL300000437939	1	41	-2.0	-133.78	358.11	8.58	-125.20
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1)CCCC2	REAL300000437940	0	41	-2.0	-127.49	363.84	6.61	-120.88
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437941	1	42	-2.0	-138.46	362.01	8.77	-129.69
COC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CC=C1F	REAL300000437942	1	42	-2.0	-124.81	361.66	7.08	-117.73
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1)CCCC2	REAL300000437943	0	37	-2.0	-139.40	338.63	8.10	-131.30
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CO1)CCCC2	REAL300000437944	0	35	-2.0	-131.19	308.61	5.70	-125.49
CN1N=NC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437945	0	37	-2.0	-117.87	320.40	4.13	-113.74
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC4=C(C=C3C(=O)[O-])CCCC4)=CN=C21	REAL300000437946	1	43	-2.0	-126.49	370.29	6.84	-119.65
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1)CCCC2	REAL300000437947	0	37	-2.0	-120.67	347.10	7.47	-113.20
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=C3CCCN13)CCCC2	REAL300000437949	0	42	-2.0	-136.13	353.92	7.15	-128.98
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437950	0	39	-2.0	-124.98	359.85	8.67	-116.31
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437951	1	44	-2.0	-127.64	353.27	9.29	-118.35
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CNC3=CC=CC(F)=C13)CCCC2	REAL300000437953	0	42	-2.0	-148.60	364.32	7.78	-140.82
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC4=C(C=C3C(=O)[O-])CCCC4)C=CC=C12	REAL300000437954	0	46	-2.0	-152.08	383.82	8.90	-143.18
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC3=NSN=C31)CCCC2	REAL300000437956	0	39	-2.0	-140.46	350.70	6.02	-134.44
COC1=CN=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437957	0	41	-2.0	-129.44	350.52	5.18	-124.26
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000437961	0	41	-2.0	-135.52	370.91	5.20	-130.32
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000437961	1	40	-3.0	-206.03	367.59	4.07	-201.96
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437962	1	42	-2.0	-137.52	355.65	8.98	-128.54
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437963	1	42	-2.0	-135.95	368.17	8.88	-127.07
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(N)=NO1	REAL300000437965	0	39	-2.0	-121.78	333.45	5.10	-116.68
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437966	0	42	-2.0	-135.20	370.92	8.01	-127.19
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1)CCCC2	REAL300000437967	0	39	-2.0	-126.68	353.43	6.49	-120.19
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437970	1	45	-2.0	-133.74	370.89	7.77	-125.97
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000437972	0	36	-2.0	-120.96	338.44	7.26	-113.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000437973	0	40	-2.0	-129.85	342.53	6.55	-123.30
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC3=CC=CC=C3N=C1)CCCC2	REAL300000437974	0	43	-2.0	-134.10	367.11	8.08	-126.02
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CC=C1C#N	REAL300000437975	1	42	-2.0	-123.58	365.91	8.60	-114.98
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1)CCCC2	REAL300000437976	0	37	-2.0	-116.15	343.68	6.39	-109.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(F)=C1	REAL300000437978	0	42	-2.0	-136.02	360.90	7.07	-128.95
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1)CCCC2	REAL300000437980	1	41	-2.0	-130.55	360.11	8.64	-121.91
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)N(C)N=C1	REAL300000437982	0	41	-2.0	-125.29	342.78	6.17	-119.12
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)O1	REAL300000437984	0	36	-2.0	-122.66	329.86	6.25	-116.41
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CSC=C1)CCCC2	REAL300000437985	0	35	-2.0	-128.57	317.04	6.62	-121.95
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=COC=C1)CCCC2	REAL300000437986	0	35	-2.0	-128.72	308.46	5.61	-123.11
CC1=CC(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)=CC=C1C(=O)[O-]	REAL300000437987	0	44	-2.0	-103.74	368.52	8.74	-95.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000437988	1	41	-2.0	-125.27	353.13	4.39	-120.88
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)CCCC2	REAL300000437989	0	38	-2.0	-132.11	348.15	8.29	-123.82
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000437990	1	49	-2.0	-128.46	403.31	8.91	-119.55
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CSC3=CC=CC=C13)CCCC2	REAL300000437991	0	41	-2.0	-135.86	362.48	9.08	-126.78
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC3=C1OCO3)CCCC2	REAL300000437992	0	41	-2.0	-137.79	352.52	6.34	-131.45
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437993	1	45	-2.0	-136.06	377.29	7.94	-128.12
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC4=C(C=C3C(=O)[O-])CCCC4)C=C2C=C1	REAL300000437995	1	47	-2.0	-137.76	393.23	10.64	-127.12
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1)CCCC2	REAL300000437996	0	35	-2.0	-127.93	333.91	7.17	-120.76
CC1=CSC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000437997	0	38	-2.0	-131.46	339.50	7.37	-124.09
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CNN=C1Cl)CCCC2	REAL300000437998	0	35	-2.0	-126.42	324.22	4.52	-121.90
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F)CCCC2	REAL300000437999	0	37	-2.0	-127.42	332.85	5.82	-121.60
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438000	0	47	-2.0	-127.40	390.46	6.79	-120.61
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000438001	1	47	-2.0	-126.44	395.11	6.26	-120.18
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC3=CC(F)=CC=C3O1)CCCC2	REAL300000438003	0	41	-2.0	-129.83	362.12	8.17	-121.66
CC1=NSC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438004	0	37	-2.0	-124.14	334.43	6.00	-118.14
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(F)C=CS1)CCCC2	REAL300000438008	0	35	-2.0	-129.87	324.21	6.76	-123.11
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3C(=O)CCCC3=C1)CCCC2	REAL300000438009	1	47	-2.0	-132.53	390.77	9.31	-123.22
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1F	REAL300000438010	1	39	-2.0	-119.77	352.65	8.15	-111.62
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=NC=CN1)CCCC2	REAL300000438014	0	35	-2.0	-133.16	307.56	4.30	-128.86
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C3OCCCN3N=C1)CCCC2	REAL300000438015	0	43	-2.0	-137.62	362.92	4.63	-132.99
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000438016	0	41	-2.0	-134.21	356.05	8.34	-125.87
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)CCCC2	REAL300000438017	0	39	-2.0	-119.83	349.33	6.57	-113.26
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438018	0	40	-2.0	-121.62	353.49	7.08	-114.54
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=NN1C	REAL300000438022	0	41	-2.0	-127.99	346.59	5.95	-122.04
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000438023	1	42	-2.0	-134.24	357.01	8.80	-125.44
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438024	0	41	-2.0	-130.28	349.30	6.06	-124.22
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438025	0	38	-2.0	-120.56	341.81	6.31	-114.25
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3NC(=O)C=NC3=C1)CCCC2	REAL300000438027	1	43	-2.0	-128.77	372.36	4.91	-123.86
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)CCCC2	REAL300000438029	0	38	-2.0	-127.66	341.61	5.24	-122.42
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1)CCCC2	REAL300000438030	0	44	-2.0	-128.10	372.22	7.64	-120.46
COC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CC=C1Cl	REAL300000438032	1	42	-2.0	-125.80	371.46	7.57	-118.23
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000438033	0	42	-2.0	-140.71	377.51	4.35	-136.36
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)CCCC2	REAL300000438034	0	40	-3.0	-223.66	358.03	8.30	-215.36
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C3N=CSC3=CC=C1)CCCC2	REAL300000438035	0	40	-2.0	-144.97	357.16	7.13	-137.84
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3CCOC3=C1)CCCC2	REAL300000438036	1	43	-2.0	-136.92	361.73	7.55	-129.37
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(F)C3=CC=CC=C3C=C1)CCCC2	REAL300000438038	0	44	-2.0	-144.45	376.45	10.02	-134.43
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438039	0	41	-2.0	-133.34	352.72	9.22	-124.12
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC3=C1OCC3)CCCC2	REAL300000438040	0	43	-2.0	-145.16	362.24	7.54	-137.62
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(F)=C1	REAL300000438045	0	41	-2.0	-140.96	355.84	8.67	-132.29
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC4=C(C=C3C(=O)[O-])CCCC4)=CC=C21	REAL300000438046	1	43	-2.0	-131.54	369.78	6.17	-125.37
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438048	0	42	-2.0	-135.10	360.60	7.56	-127.54
COC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1Cl	REAL300000438050	0	41	-2.0	-121.49	369.19	4.94	-116.55
CC1=NOC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438051	0	37	-2.0	-121.42	324.69	5.62	-115.80
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CC=C1Cl	REAL300000438052	1	41	-2.0	-127.01	361.40	8.81	-118.20
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3CCC(=O)C3=C1)CCCC2	REAL300000438053	1	44	-2.0	-143.44	374.01	8.70	-134.74
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C([N+](=O)[O-])S1	REAL300000438054	0	40	-2.0	-140.11	360.51	8.90	-131.21
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CN=C1F)CCCC2	REAL300000438056	0	37	-2.0	-136.54	326.44	5.89	-130.65
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1)CCCC2	REAL300000438059	0	37	-2.0	-120.75	327.36	5.86	-114.89
N#CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=CS1	REAL300000438061	0	36	-2.0	-135.59	336.30	7.11	-128.48
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1)CCCC2	REAL300000438064	1	38	-2.0	-122.32	348.54	8.27	-114.05
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC3=C1OCCC3)CCCC2	REAL300000438065	0	46	-2.0	-143.96	378.13	8.91	-135.05
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438071	1	45	-2.0	-144.19	381.87	5.15	-139.04
CC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)N1C	REAL300000438075	0	41	-2.0	-133.55	345.24	6.69	-126.86
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)O1	REAL300000438078	0	44	-2.0	-127.59	383.37	7.08	-120.51
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=C(C3CC3)S1)CCCC2	REAL300000438079	0	41	-2.0	-129.80	365.68	7.22	-122.58
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)CCCC2	REAL300000438080	0	37	-2.0	-128.46	343.31	6.31	-122.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(F)=C1F	REAL300000438082	0	41	-2.0	-137.73	358.06	8.48	-129.25
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=N1	REAL300000438083	0	40	-2.0	-145.05	353.03	6.69	-138.36
CCCCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(C)=N1	REAL300000438084	0	50	-2.0	-130.05	413.84	8.46	-121.59
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438085	0	39	-3.0	-209.69	350.62	6.38	-203.31
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438086	0	42	-2.0	-127.10	355.91	7.74	-119.36
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438087	1	39	-2.0	-121.05	353.17	8.17	-112.88
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=C3NC=NC=C13)CCCC2	REAL300000438088	0	40	-2.0	-145.15	349.10	6.91	-138.24
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CNC3=NC=NC=C13)CCCC2	REAL300000438088	1	40	-2.0	-130.76	349.20	6.76	-124.00
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CNC3=CC=CC=C13)CCCC2	REAL300000438089	0	42	-2.0	-142.97	359.67	7.68	-135.29
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438090	0	48	-2.0	-131.05	386.94	7.83	-123.22
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(C(C)(C)C)=N1	REAL300000438091	0	50	-2.0	-127.39	391.29	8.24	-119.15
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(C3CCCC3)N=C1)CCCC2	REAL300000438093	0	48	-2.0	-131.07	393.32	8.06	-123.01
O=C([O-])C1=CC2=C(C=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-])CCCC2	REAL300000438095	0	39	-2.0	-109.70	335.87	6.29	-103.41
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O)CCCC2	REAL300000438095	1	39	-2.0	-125.86	342.12	5.47	-120.39
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438097	0	44	-2.0	-128.09	367.21	6.82	-121.27
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1F	REAL300000438098	1	43	-2.0	-131.15	370.95	8.18	-122.97
NC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000438099	0	38	-2.0	-123.65	331.14	5.07	-118.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(C#N)=C1	REAL300000438100	0	42	-2.0	-140.25	365.44	8.64	-131.61
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438101	0	42	-2.0	-137.33	356.98	8.96	-128.37
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)CCCC2	REAL300000438102	1	41	-2.0	-123.06	362.62	8.61	-114.45
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1	REAL300000438104	1	45	-2.0	-135.69	389.67	9.67	-126.02
COC1=NSC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438106	0	38	-2.0	-121.18	345.18	3.51	-117.67
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=NS1)CCCC2	REAL300000438108	0	34	-2.0	-123.54	312.66	5.41	-118.13
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C(C(N)=O)O1	REAL300000438111	0	42	-2.0	-127.59	365.44	3.33	-124.26
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438112	1	47	-2.0	-127.95	375.14	10.10	-117.85
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F)CCCC2	REAL300000438113	0	38	-2.0	-129.93	341.28	7.74	-122.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C(Cl)O1	REAL300000438115	0	37	-3.0	-193.25	354.50	7.24	-186.01
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC3=CC=NC=C31)CCCC2	REAL300000438116	1	43	-2.0	-143.59	362.18	8.22	-135.37
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438117	0	45	-2.0	-133.26	387.35	7.90	-125.36
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1F	REAL300000438118	0	39	-2.0	-135.16	351.76	8.12	-127.04
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)N=N1	REAL300000438119	0	37	-2.0	-134.06	324.73	4.04	-130.02
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(C3CCC3)N=C1)CCCC2	REAL300000438120	0	45	-2.0	-130.74	375.84	7.39	-123.35
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1)CCCC2	REAL300000438121	0	45	-2.0	-128.27	373.21	7.60	-120.67
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1)CCCC2	REAL300000438122	0	48	-2.0	-128.44	395.18	8.32	-120.12
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1F	REAL300000438123	1	42	-2.0	-121.13	371.79	7.25	-113.88
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=C3CCCCN13)CCCC2	REAL300000438124	0	45	-2.0	-136.49	370.31	7.73	-128.76
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1F	REAL300000438125	0	42	-2.0	-129.22	367.13	7.15	-122.07
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438126	0	41	-2.0	-128.80	348.84	8.42	-120.38
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=C(C=C3C(=O)[O-])CCCC4)=C2O1	REAL300000438127	0	46	-2.0	-146.27	383.18	8.28	-137.99
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000438128	0	46	-2.0	-130.25	394.61	7.38	-122.87
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC4=C(C=C3C(=O)[O-])CCCC4)C=C2)CC1	REAL300000438129	1	46	-2.0	-133.51	394.17	9.91	-123.60
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438130	0	42	-2.0	-136.63	362.39	8.37	-128.26
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CSC=C1Cl)CCCC2	REAL300000438131	0	35	-2.0	-128.34	331.35	7.15	-121.19
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438132	0	43	-2.0	-149.40	367.68	7.30	-142.10
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438133	0	40	-2.0	-119.06	339.85	5.05	-114.01
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC3=NON=C3C=C1)CCCC2	REAL300000438135	1	39	-2.0	-119.80	340.80	6.49	-113.31
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC3=CC=CC=C3S1)CCCC2	REAL300000438136	0	41	-2.0	-136.39	364.77	9.14	-127.25
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438137	0	45	-2.0	-126.93	376.86	7.48	-119.45
COC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1OC	REAL300000438139	0	46	-2.0	-133.19	378.91	7.52	-125.67
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=COC3=CC=CC=C13)CCCC2	REAL300000438140	0	41	-2.0	-136.66	355.71	8.00	-128.66
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(C2CC2)=N1	REAL300000438141	0	45	-2.0	-133.09	381.20	7.63	-125.46
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(F)C=CC3=C1OCO3)CCCC2	REAL300000438143	0	41	-2.0	-141.91	355.36	6.91	-135.00
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC4=C(C=C3C(=O)[O-])CCCC4)C=CC=C21	REAL300000438144	0	43	-2.0	-153.85	370.48	6.12	-147.73
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=C(C=C3C(=O)[O-])CCCC4)=C21	REAL300000438145	0	45	-2.0	-133.27	366.59	9.68	-123.59
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=CN=C1N	REAL300000438146	1	42	-2.0	-132.50	353.95	5.43	-127.07
COC1=NSC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438147	0	38	-2.0	-129.56	343.21	3.58	-125.98
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)N=CN1	REAL300000438148	0	38	-2.0	-144.54	324.87	5.78	-138.76
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C3C=COC3=C(F)C=C1)CCCC2	REAL300000438150	1	41	-2.0	-130.04	359.65	8.09	-121.95
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(C2CCC2)=N1	REAL300000438151	0	48	-2.0	-135.30	397.43	8.12	-127.18
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1)CCCC2	REAL300000438152	0	35	-2.0	-127.57	331.77	7.24	-120.33
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(CC3CCC3)N=C1)CCCC2	REAL300000438153	0	48	-2.0	-131.16	399.90	8.36	-122.80
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(C3CC3)C=CS1)CCCC2	REAL300000438154	0	42	-2.0	-135.84	361.83	8.96	-126.88
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438155	1	47	-2.0	-135.53	390.31	9.92	-125.61
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438156	0	44	-2.0	-127.25	382.17	6.05	-121.20
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438157	0	39	-2.0	-133.27	350.44	8.05	-125.22
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438158	0	45	-2.0	-131.72	371.62	7.23	-124.49
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438161	0	47	-2.0	-124.25	373.04	7.61	-116.64
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000438162	0	47	-2.0	-131.06	390.42	7.43	-123.63
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1)CCCC2	REAL300000438163	0	45	-2.0	-131.36	374.48	6.81	-124.55
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000438164	0	49	-2.0	-130.76	400.18	8.53	-122.23
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1)CCCC2	REAL300000438165	1	41	-2.0	-131.78	353.91	8.53	-123.25
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438166	0	41	-2.0	-124.96	349.47	5.86	-119.10
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1C	REAL300000438168	1	44	-2.0	-133.82	358.01	9.04	-124.78
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F)CCCC2	REAL300000438169	1	41	-2.0	-140.46	346.95	9.00	-131.46
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1Cl	REAL300000438171	0	39	-2.0	-130.00	358.55	8.55	-121.45
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C3CC3)=C1)CCCC2	REAL300000438172	1	45	-2.0	-135.81	375.16	9.82	-125.99
COC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=CS1	REAL300000438173	0	39	-2.0	-136.24	348.18	6.15	-130.09
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C3CC3)C=C1F)CCCC2	REAL300000438174	0	45	-2.0	-138.16	380.64	9.88	-128.28
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1)CCCC2	REAL300000438175	0	48	-2.0	-129.11	390.73	8.30	-120.81
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438176	0	47	-2.0	-127.54	385.86	7.60	-119.94
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC4=C(C=C3C(=O)[O-])CCCC4)C2=N1	REAL300000438178	0	43	-2.0	-144.32	369.54	6.08	-138.24
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)O1	REAL300000438179	0	41	-2.0	-132.94	352.02	7.31	-125.63
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)CCCC2	REAL300000438180	0	38	-2.0	-123.98	349.79	6.93	-117.05
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438181	0	42	-2.0	-125.81	366.88	7.62	-118.19
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438182	1	44	-2.0	-133.85	379.14	9.24	-124.61
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1)CCCC2	REAL300000438183	1	42	-2.0	-132.44	365.19	7.29	-125.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)S1	REAL300000438184	0	39	-2.0	-129.05	349.71	6.16	-122.89
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1)CCCC2	REAL300000438185	0	41	-2.0	-126.08	358.59	6.41	-119.67
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438186	1	48	-2.0	-135.56	402.84	8.40	-127.16
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC=C1CF)CCCC2	REAL300000438187	1	41	-2.0	-136.06	347.62	8.62	-127.44
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=C3C=CC=CN13)CCCC2	REAL300000438188	0	41	-2.0	-137.32	351.43	8.11	-129.21
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C3SC=NC3=C1)CCCC2	REAL300000438189	1	40	-2.0	-134.90	356.87	7.11	-127.79
CCN1N=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=N1	REAL300000438190	0	40	-2.0	-131.29	346.80	4.56	-126.73
CCN1N=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1Cl	REAL300000438191	0	41	-2.0	-125.34	367.59	6.64	-118.70
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1)CCCC2	REAL300000438192	0	35	-2.0	-125.37	325.68	6.31	-119.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C2=CC=CC=C12	REAL300000438193	1	47	-2.0	-144.64	384.71	10.57	-134.07
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C3CC3)S1)CCCC2	REAL300000438196	0	42	-2.0	-133.49	369.76	9.03	-124.46
CC1=COC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438197	0	38	-2.0	-131.90	330.52	6.38	-125.52
COC1=CSC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1OC	REAL300000438198	0	43	-2.0	-130.49	378.94	5.72	-124.77
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1)CCCC2	REAL300000438199	0	37	-2.0	-115.62	343.57	6.34	-109.28
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438200	0	44	-2.0	-131.82	369.33	7.71	-124.11
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC4=C(C=C3C(=O)[O-])CCCC4)=CC=C21	REAL300000438201	1	45	-2.0	-141.84	379.65	9.48	-132.36
CN1N=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1Cl	REAL300000438202	0	38	-2.0	-124.71	345.78	5.77	-118.94
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438203	0	44	-2.0	-143.50	363.28	9.53	-133.97
N#CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)OC=C1	REAL300000438204	0	36	-2.0	-128.86	330.09	6.17	-122.69
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438205	0	40	-2.0	-120.05	353.67	7.10	-112.95
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(C2CC2)=N1	REAL300000438206	0	48	-2.0	-133.49	402.73	8.50	-124.99
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1)CCCC2	REAL300000438209	0	35	-2.0	-126.89	324.73	6.20	-120.69
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1)CCCC2	REAL300000438210	0	35	-2.0	-125.18	334.74	7.22	-117.96
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438211	0	46	-2.0	-128.78	378.23	5.46	-123.32
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1)CCCC2	REAL300000438212	1	45	-2.0	-135.90	369.49	9.87	-126.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C(C)=N1	REAL300000438214	1	44	-2.0	-124.61	368.78	5.14	-119.47
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438215	0	44	-2.0	-137.77	373.34	5.53	-132.24
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438216	0	41	-2.0	-130.02	368.65	5.38	-124.64
COC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C1C	REAL300000438217	1	44	-2.0	-126.86	373.25	5.13	-121.73
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=N1	REAL300000438218	0	47	-2.0	-129.06	388.85	7.86	-121.20
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438219	0	47	-2.0	-131.35	389.52	7.43	-123.92
N#CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=CO1	REAL300000438220	0	36	-2.0	-131.92	328.89	6.12	-125.80
N#CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)SC=C1	REAL300000438221	0	36	-2.0	-127.29	337.98	7.05	-120.24
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C(=O)[O-])CCCC2	REAL300000438222	0	44	-2.0	-126.70	367.65	6.97	-119.73
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1)CCCC2	REAL300000438223	0	45	-2.0	-125.94	378.13	7.84	-118.10
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1)CCCC2	REAL300000438224	0	45	-2.0	-134.22	377.89	8.92	-125.30
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=NN1C(C)C	REAL300000438226	0	47	-2.0	-129.10	390.41	7.46	-121.64
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1)CCCC2	REAL300000438227	0	40	-2.0	-124.65	353.30	6.74	-117.91
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1)CCCC2	REAL300000438229	1	39	-2.0	-134.16	336.94	4.86	-129.30
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F)CCCC2	REAL300000438230	0	41	-2.0	-142.29	365.59	8.71	-133.58
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CSN=C1)CCCC2	REAL300000438231	0	34	-2.0	-121.09	311.57	5.30	-115.79
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=NN(C3CC3(F)F)C=C1)CCCC2	REAL300000438232	0	42	-2.0	-145.94	373.83	6.98	-138.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C2=NC=CC=C12	REAL300000438233	0	46	-2.0	-152.43	383.66	8.88	-143.55
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C(C(=O)[O-])O1	REAL300000438234	0	43	-3.0	-196.86	373.68	8.20	-188.66
CCC1=C(S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C(C(=O)[O-])O1	REAL300000438234	1	44	-2.0	-99.66	372.86	7.79	-91.87
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)C=C(Cl)S1	REAL300000438235	0	38	-2.0	-122.39	352.47	8.08	-114.31
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN=CS1)CCCC2	REAL300000438236	0	34	-2.0	-126.31	312.52	4.83	-121.48
O=C([O-])C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C3CCCCN3N=C1)CCCC2	REAL300000438237	0	45	-2.0	-131.96	371.66	7.03	-124.93
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)[O-])CCCC3)=C1	REAL300000438238	0	41	-2.0	-139.58	352.83	8.44	-131.14
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=NO1	REAL300000438239	0	37	-2.0	-84.02	344.18	2.54	-81.48
CCC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NO1	REAL300000438240	0	30	-2.0	-99.19	292.25	3.99	-95.20
CCC1=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=NO1	REAL300000438241	0	38	-2.0	-101.17	347.34	5.07	-96.10
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=NO1	REAL300000438242	0	30	-2.0	-97.12	304.14	4.66	-92.46
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=NO1	REAL300000438243	0	34	-2.0	-107.18	315.86	3.77	-103.41
CCC1=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=NO1	REAL300000438244	0	30	-2.0	-97.02	303.96	4.45	-92.57
CCC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=NO1	REAL300000438245	0	34	-2.0	-89.79	319.17	5.25	-84.54
CCC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NO1	REAL300000438246	0	33	-2.0	-102.60	303.74	4.49	-98.11
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=NO1	REAL300000438247	0	30	-2.0	-97.68	300.79	4.53	-93.15
CCC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=NO1	REAL300000438248	0	30	-2.0	-97.44	300.23	4.35	-93.09
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=NO1	REAL300000438249	0	30	-2.0	-93.44	313.29	4.90	-88.54
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=NO1	REAL300000438250	0	36	-2.0	-104.81	320.11	5.27	-99.54
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=NO1	REAL300000438251	0	30	-2.0	-98.86	293.20	4.02	-94.84
CCC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=NO1	REAL300000438252	0	36	-2.0	-89.14	331.29	5.55	-83.59
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NO1	REAL300000438253	0	27	-2.0	-95.90	280.90	2.98	-92.92
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NO1	REAL300000438254	0	33	-2.0	-102.97	303.15	4.74	-98.23
CCC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=NO1	REAL300000438255	0	34	-2.0	-88.41	318.79	4.24	-84.17
CCC1=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C=NO1	REAL300000438256	0	41	-2.0	-85.02	364.56	5.02	-80.00
CCC1=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=NO1	REAL300000438257	0	27	-2.0	-93.42	297.90	3.74	-89.68
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=NO1	REAL300000438258	0	34	-2.0	-103.48	311.92	2.78	-100.70
CCC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)C=NO1	REAL300000438259	0	30	-2.0	-96.92	312.64	4.60	-92.32
CCC1=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=NO1	REAL300000438260	0	30	-2.0	-92.08	296.83	3.64	-88.44
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=NO1	REAL300000438261	0	36	-2.0	-104.11	319.17	5.28	-98.83
CCC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NO1	REAL300000438262	0	27	-2.0	-97.34	279.37	3.00	-94.34
CCC1=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=NO1	REAL300000438263	0	38	-2.0	-101.85	346.04	3.77	-98.08
CCC1=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=NO1	REAL300000438264	0	34	-2.0	-107.35	315.01	4.03	-103.32
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=NO1	REAL300000438265	0	40	-2.0	-106.56	342.96	6.59	-99.97
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=NO1	REAL300000438266	0	39	-2.0	-105.08	341.62	5.97	-99.11
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=NO1	REAL300000438267	0	36	-2.0	-101.61	316.10	5.63	-95.98
CCC1=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=NO1	REAL300000438268	0	37	-2.0	-107.01	338.15	4.54	-102.47
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=NO1	REAL300000438269	0	32	-3.0	-173.96	316.12	4.52	-169.44
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=NO1	REAL300000438270	0	37	-2.0	-106.87	331.97	5.85	-101.02
CCC1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=NO1	REAL300000438271	0	30	-2.0	-95.92	290.73	3.10	-92.82
CCC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=NO1	REAL300000438272	0	36	-2.0	-106.35	329.89	3.73	-102.62
CCC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=NO1	REAL300000438273	0	34	-2.0	-101.84	316.64	3.07	-98.77
CCC1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=NO1	REAL300000438274	0	38	-2.0	-88.83	340.63	4.56	-84.27
CCC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=NO1	REAL300000438275	0	30	-2.0	-91.35	315.39	4.81	-86.54
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=NO1	REAL300000438276	0	30	-2.0	-94.66	305.32	4.54	-90.12
CCC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=NO1	REAL300000438277	0	34	-2.0	-87.11	334.82	4.78	-82.33
CCC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=NO1	REAL300000438278	0	37	-2.0	-88.82	338.88	4.95	-83.87
CCC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=NO1	REAL300000438279	0	40	-2.0	-88.31	367.47	5.21	-83.10
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=NO1	REAL300000438280	0	33	-2.0	-93.85	308.02	4.81	-89.04
CCC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)C=NO1	REAL300000438281	0	43	-2.0	-89.37	381.33	5.88	-83.49
CCC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=NO1	REAL300000438282	0	34	-2.0	-88.13	325.02	4.31	-83.82
CCC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)C=NO1	REAL300000438283	0	40	-2.0	-87.92	377.28	5.69	-82.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(CC)ON=C2)C=C1C(=O)[O-]	REAL300000438284	0	37	-2.0	-108.22	336.85	4.93	-103.29
CCC1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=NO1	REAL300000438285	0	30	-2.0	-99.49	296.34	3.86	-95.63
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=NO1	REAL300000438286	0	30	-2.0	-91.55	315.95	4.98	-86.57
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=NO1	REAL300000438287	0	30	-2.0	-87.23	300.78	4.52	-82.71
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=NO1	REAL300000438288	0	30	-2.0	-86.86	304.13	4.66	-82.20
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=NO1	REAL300000438289	0	30	-2.0	-89.23	292.23	4.00	-85.23
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NO1	REAL300000438290	0	27	-2.0	-91.07	279.98	3.09	-87.98
CCC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=NO1	REAL300000438291	0	30	-2.0	-92.69	294.12	4.02	-88.67
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=NO1	REAL300000438292	0	33	-2.0	-100.17	313.48	4.66	-95.51
CCC1=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=NO1	REAL300000438293	0	34	-2.0	-91.79	328.03	4.58	-87.21
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=NO1	REAL300000438294	0	30	-2.0	-88.71	293.17	4.03	-84.68
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=NO1	REAL300000438295	0	30	-2.0	-87.19	300.21	4.36	-82.83
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=NO1	REAL300000438296	0	33	-2.0	-95.55	316.75	5.20	-90.35
CCC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)C=NO1	REAL300000438297	0	33	-2.0	-91.24	318.55	5.25	-85.99
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=NO1	REAL300000438298	0	38	-2.0	-86.85	351.45	5.37	-81.48
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=NO1	REAL300000438299	0	30	-2.0	-86.77	303.94	4.46	-82.31
CCC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=NO1	REAL300000438300	0	30	-2.0	-91.03	298.54	4.05	-86.98
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=NO1	REAL300000438301	0	32	-2.0	-86.97	315.91	4.63	-82.34
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=NO1	REAL300000438302	0	30	-3.0	-193.25	293.87	2.56	-190.69
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=NO1	REAL300000438302	1	31	-2.0	-102.03	297.43	1.68	-100.35
CCC1=C([N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)C=NO1	REAL300000438303	0	33	-2.0	-96.50	325.60	5.12	-91.38
CCC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NO1	REAL300000438304	0	33	-2.0	-93.40	309.89	4.74	-88.66
CCC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=NO1	REAL300000438305	0	30	-2.0	-92.32	308.42	4.49	-87.83
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NO1	REAL300000438306	0	33	-2.0	-97.30	297.76	4.60	-92.70
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)C=NO1	REAL300000438307	0	33	-2.0	-96.08	320.78	5.27	-90.81
CCC1=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=NO1	REAL300000438308	0	33	-2.0	-100.70	312.56	4.61	-96.09
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NO1	REAL300000438309	0	33	-2.0	-89.90	303.13	4.73	-85.17
CCC1=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=NO1	REAL300000438310	0	36	-2.0	-105.63	324.56	5.13	-100.50
CCC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=NO1	REAL300000438311	0	32	-2.0	-100.22	314.27	5.05	-95.17
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=NO1	REAL300000438312	0	30	-2.0	-90.66	299.45	4.08	-86.58
CCC1=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=NO1	REAL300000438313	0	27	-2.0	-88.78	300.30	3.63	-85.15
CCC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=NO1	REAL300000438314	0	36	-2.0	-101.33	322.20	5.36	-95.97
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=NO1	REAL300000438315	0	33	-2.0	-99.83	309.20	4.56	-95.27
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=NO1	REAL300000438316	0	33	-2.0	-99.36	319.48	5.10	-94.26
CCC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=NO1	REAL300000438317	0	33	-2.0	-105.55	312.73	4.65	-100.90
CCC1=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=NO1	REAL300000438318	0	36	-2.0	-103.29	322.04	5.15	-98.14
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)C=NO1	REAL300000438319	0	30	-2.0	-94.28	308.67	4.69	-89.59
CCC1=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=NO1	REAL300000438320	0	37	-2.0	-103.23	338.18	4.09	-99.14
CCC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=NO1	REAL300000438321	0	33	-2.0	-90.87	313.98	5.14	-85.73
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=NO1	REAL300000438322	0	33	-2.0	-86.29	317.83	4.76	-81.53
CCC1=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=NO1	REAL300000438323	0	33	-2.0	-99.33	318.95	4.92	-94.41
CCC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=NO1	REAL300000438324	0	30	-2.0	-94.44	309.01	4.57	-89.87
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Br)C=NO1	REAL300000438325	0	33	-2.0	-99.01	322.30	5.22	-93.79
CCC1=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=NO1	REAL300000438326	0	34	-2.0	-101.06	315.75	4.18	-96.88
CCC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=NO1	REAL300000438327	0	42	-2.0	-101.25	352.87	6.84	-94.41
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)C=NO1	REAL300000438328	0	30	-2.0	-89.63	309.83	4.71	-84.92
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=NO1	REAL300000438329	0	30	-2.0	-89.62	313.33	4.51	-85.11
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=NO1	REAL300000438330	0	34	-2.0	-88.53	332.41	4.27	-84.26
CCC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=NO1	REAL300000438331	0	33	-2.0	-95.96	321.49	5.03	-90.93
CCC1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=NO1	REAL300000438332	0	39	-2.0	-99.17	336.99	6.05	-93.12
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=NO1	REAL300000438333	0	34	-2.0	-103.31	328.05	4.59	-98.72
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NO1	REAL300000438334	0	33	-2.0	-91.13	307.77	4.60	-86.53
CCC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=NO1	REAL300000438335	0	35	-2.0	-94.08	330.97	6.17	-87.91
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=NO1	REAL300000438336	0	33	-2.0	-100.70	307.67	4.78	-95.92
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=NO1	REAL300000438337	0	32	-2.0	-107.81	311.46	5.83	-101.98
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=NO1	REAL300000438338	0	30	-2.0	-104.85	291.35	3.98	-100.87
CCC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=NO1	REAL300000438339	0	33	-2.0	-94.22	312.68	4.63	-89.59
CCC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=NO1	REAL300000438340	0	36	-2.0	-109.52	328.76	6.09	-103.43
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=NO1	REAL300000438341	0	34	-2.0	-93.55	315.92	3.78	-89.77
CCC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=NO1	REAL300000438342	0	27	-2.0	-89.89	287.83	2.93	-86.96
CCC1=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=NO1	REAL300000438343	0	34	-2.0	-97.01	331.51	4.51	-92.50
CCC1=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=NO1	REAL300000438344	0	33	-2.0	-92.49	331.07	1.00	-91.49
CCC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=NO1	REAL300000438345	0	37	-2.0	-96.27	333.85	5.85	-90.42
CCC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=NO1	REAL300000438346	0	37	-2.0	-97.83	331.81	5.83	-92.00
CCC1=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=NO1	REAL300000438347	0	33	-2.0	-95.94	309.85	3.95	-91.99
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000438350	1	42	-2.0	-106.03	367.30	3.90	-102.13
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(N)=O	REAL300000438352	0	42	-2.0	-103.54	372.75	3.97	-99.57
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(N)=O	REAL300000438353	0	39	-2.0	-100.63	360.48	2.92	-97.71
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000438355	1	43	-2.0	-104.61	373.92	3.25	-101.36
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C(N)=O)=C2)=C1	REAL300000438356	0	42	-2.0	-96.80	376.39	3.59	-93.21
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000438357	1	39	-2.0	-102.03	358.95	2.94	-99.09
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000438358	0	42	-2.0	-100.94	370.28	3.04	-97.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C(N)=O)=C2)C=C(C(=O)[O-])S1	REAL300000438359	1	42	-2.0	-104.29	375.89	3.79	-100.50
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(N)=O	REAL300000438360	1	42	-2.0	-93.95	371.82	3.94	-90.01
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(N)=O	REAL300000438361	0	39	-2.0	-95.69	359.55	3.03	-92.66
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000438362	1	42	-2.0	-97.24	373.68	3.97	-93.27
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(N)=O	REAL300000438363	0	42	-2.0	-93.41	372.74	3.97	-89.44
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C(N)=O	REAL300000438364	0	43	-2.0	-106.91	377.01	1.62	-105.29
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C(N)=O	REAL300000438364	1	43	-2.0	-107.23	376.16	2.40	-104.83
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000438365	1	45	-2.0	-97.65	389.46	4.69	-92.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000438368	1	46	-2.0	-105.79	395.30	4.11	-101.68
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(N)=O	REAL300000438370	0	42	-2.0	-109.48	370.91	3.93	-105.55
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(N)=O	REAL300000438371	0	41	-2.0	-103.78	364.26	1.96	-101.82
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000438372	0	45	-2.0	-100.97	389.41	3.89	-97.08
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000438373	0	33	-2.0	-94.08	325.86	5.09	-88.99
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000438374	0	33	-2.0	-84.72	321.30	5.07	-79.65
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000438375	0	33	-2.0	-96.01	321.32	5.05	-90.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1C	REAL300000438376	0	37	-2.0	-101.05	348.69	4.78	-96.27
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000438377	0	37	-2.0	-84.92	352.77	6.36	-78.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000438378	0	36	-2.0	-96.82	337.34	5.58	-91.24
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000438379	0	33	-2.0	-92.04	334.40	5.63	-86.41
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000438380	0	33	-2.0	-92.24	333.84	5.44	-86.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)=C1C	REAL300000438381	0	39	-2.0	-99.12	353.71	6.37	-92.75
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000438382	0	33	-2.0	-93.09	326.79	5.12	-87.97
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000438383	0	39	-2.0	-83.80	364.88	6.64	-77.16
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000438384	0	30	-2.0	-90.72	314.51	4.09	-86.63
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1C	REAL300000438385	0	36	-2.0	-97.35	336.76	5.84	-91.51
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000438386	1	37	-2.0	-83.48	352.39	5.34	-78.14
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000438387	0	34	-2.0	-94.53	327.97	4.41	-90.12
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1C	REAL300000438388	1	37	-2.0	-98.14	345.10	3.90	-94.24
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)=C1	REAL300000438389	0	33	-2.0	-87.02	329.68	4.66	-82.36
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000438390	1	39	-2.0	-98.34	352.77	6.38	-91.96
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000438391	0	30	-2.0	-92.13	312.97	4.08	-88.05
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000438392	1	37	-2.0	-101.91	348.61	5.13	-96.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1C	REAL300000438393	0	39	-2.0	-96.07	350.95	6.77	-89.30
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)C=C(C(=O)[O-])O1	REAL300000438394	0	33	-2.0	-90.95	324.33	4.20	-86.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)=C1	REAL300000438395	0	37	-2.0	-96.64	350.24	4.15	-92.49
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000438396	0	36	-2.0	-88.44	341.27	5.80	-82.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)C=C(C(=O)[O-])S1	REAL300000438397	0	33	-2.0	-93.97	331.01	4.95	-89.02
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000438398	0	33	-2.0	-82.51	334.37	5.62	-76.89
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000438399	0	33	-2.0	-84.68	325.86	5.09	-79.59
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000438400	0	30	-2.0	-86.09	313.58	4.19	-81.90
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000438401	0	33	-2.0	-87.42	327.72	5.12	-82.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)=C1F	REAL300000438402	0	36	-2.0	-94.28	346.30	5.68	-88.60
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000438403	0	33	-2.0	-83.78	326.78	5.12	-78.66
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000438404	0	33	-2.0	-82.48	333.82	5.45	-77.03
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000438405	0	33	-2.0	-86.23	332.14	5.14	-81.09
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000438406	0	34	-2.0	-96.44	331.04	2.76	-93.68
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000438407	0	36	-2.0	-87.87	343.49	5.84	-82.03
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000438408	0	36	-2.0	-92.21	330.58	5.61	-86.60
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)=CC(C(=O)[O-])=C1F	REAL300000438409	0	36	-2.0	-95.28	346.15	5.70	-89.58
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1C	REAL300000438410	1	36	-2.0	-85.26	336.73	5.83	-79.43
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)=CC(C(=O)[O-])=C1C	REAL300000438411	0	39	-2.0	-99.93	358.82	6.25	-93.68
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000438412	0	33	-2.0	-85.21	332.28	5.11	-80.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)C(C)=C1C(=O)[O-]	REAL300000438413	1	39	-2.0	-96.44	355.03	6.37	-90.07
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000438414	0	36	-2.0	-95.23	346.63	5.76	-89.47
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)=C1	REAL300000438415	0	36	-2.0	-100.24	345.58	5.66	-94.58
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000438416	0	39	-2.0	-97.46	355.64	6.24	-91.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000438417	0	37	-2.0	-95.69	349.34	5.27	-90.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)=CC=C1C(=O)[O-]	REAL300000438418	0	36	-2.0	-84.69	337.33	5.61	-79.08
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1C	REAL300000438419	1	36	-2.0	-95.60	340.85	5.90	-89.70
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000438420	0	33	-2.0	-99.61	324.96	5.08	-94.53
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000438421	0	36	-2.0	-89.02	346.27	5.73	-83.29
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000438422	0	32	-2.0	-93.42	317.53	3.17	-90.25
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)N=C1C	REAL300000438423	0	37	-2.0	-88.37	349.52	4.86	-83.51
CC1=NC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000438424	0	30	-2.0	-84.87	321.43	4.03	-80.84
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)N=C2C)C=C(C(=O)[O-])O1	REAL300000438425	0	36	-2.0	-90.87	343.44	5.06	-85.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(F)=C2)C=C1	REAL300000438426	1	35	-2.0	-94.07	342.83	5.77	-88.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(F)=C2)=C1	REAL300000438427	1	35	-2.0	-106.13	342.85	5.75	-100.38
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(F)=C2)=C1	REAL300000438428	0	32	-2.0	-100.56	336.03	4.78	-95.78
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000438429	0	36	-2.0	-104.47	349.49	5.12	-99.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(F)=C2)=CS1	REAL300000438430	0	32	-2.0	-101.93	334.50	4.80	-97.13
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000438431	0	35	-2.0	-101.22	345.85	4.90	-96.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(F)=C2)S1	REAL300000438432	0	32	-2.0	-95.68	335.12	4.89	-90.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCC(F)(F)F)C(F)=C2)=C1	REAL300000438433	0	34	-2.0	-96.86	339.83	3.82	-93.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=CC=C1F	REAL300000438434	1	31	-2.0	-106.16	308.46	2.43	-103.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1	REAL300000438435	1	31	-2.0	-96.34	303.91	2.41	-93.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1	REAL300000438436	0	31	-2.0	-108.55	303.93	2.39	-106.16
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)N=C1	REAL300000438437	0	35	-2.0	-114.62	332.07	2.19	-112.43
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1	REAL300000438438	0	35	-2.0	-96.42	335.38	3.70	-92.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000438439	1	34	-2.0	-110.80	324.00	3.03	-107.77
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1	REAL300000438440	0	31	-2.0	-104.92	317.00	2.96	-101.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=CC=C1Cl	REAL300000438441	0	31	-2.0	-104.45	316.43	2.79	-101.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1C	REAL300000438442	1	37	-2.0	-112.31	336.32	3.70	-108.61
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1	REAL300000438443	0	31	-2.0	-106.29	309.40	2.45	-103.84
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1	REAL300000438444	0	37	-2.0	-95.72	347.49	3.98	-91.74
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1	REAL300000438445	0	28	-2.0	-102.90	297.11	1.40	-101.50
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)N=C1	REAL300000438446	1	34	-2.0	-110.47	319.36	3.17	-107.30
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1	REAL300000438447	1	35	-2.0	-95.05	334.99	2.67	-92.38
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000438448	0	32	-2.0	-106.82	310.58	1.75	-105.07
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)N=C1	REAL300000438449	1	35	-2.0	-110.87	328.13	1.21	-109.66
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1	REAL300000438450	0	31	-2.0	-99.04	313.04	2.08	-96.96
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000438451	1	37	-2.0	-111.62	335.39	3.71	-107.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=CS1	REAL300000438452	0	28	-2.0	-104.38	295.57	1.43	-102.95
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000438453	1	35	-2.0	-114.38	331.20	2.46	-111.92
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1	REAL300000438454	0	41	-2.0	-114.17	359.16	5.01	-109.16
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)N=C1	REAL300000438455	0	40	-2.0	-112.70	357.82	4.41	-108.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)N=C1	REAL300000438456	0	37	-2.0	-109.29	334.05	4.13	-105.16
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)N=C1	REAL300000438457	0	38	-2.0	-114.26	354.36	2.95	-111.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=CC(C(=O)[O-])=C1	REAL300000438458	0	33	-3.0	-182.04	332.33	2.96	-179.08
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(OC(F)F)N=C2)=CC(C(=O)[O-])=C1	REAL300000438458	1	34	-2.0	-115.31	338.89	2.85	-112.46
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1	REAL300000438459	0	38	-2.0	-114.46	348.17	4.29	-110.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000438460	0	31	-2.0	-103.26	306.93	1.54	-101.72
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1	REAL300000438461	0	35	-2.0	-109.38	332.91	1.48	-107.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C(Cl)C=C1F	REAL300000438462	0	31	-2.0	-101.78	321.52	2.99	-98.79
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=CC=C1OCC(=O)[O-]	REAL300000438463	1	38	-2.0	-95.49	355.07	3.39	-92.10
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)N=C1	REAL300000438464	0	34	-2.0	-101.01	324.63	3.21	-97.80
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1F	REAL300000438465	0	35	-2.0	-94.64	341.22	2.74	-91.90
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000438466	1	38	-2.0	-115.03	353.06	3.37	-111.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C(C(=O)[O-])S1	REAL300000438467	0	31	-2.0	-106.91	312.52	2.29	-104.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C(Cl)=C1	REAL300000438468	0	31	-2.0	-94.01	316.98	2.96	-91.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1F	REAL300000438469	0	31	-2.0	-95.94	308.44	2.44	-93.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)S1	REAL300000438470	0	28	-2.0	-97.89	296.20	1.52	-96.37
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1	REAL300000438471	0	31	-2.0	-99.49	310.33	2.45	-97.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1F	REAL300000438472	0	34	-2.0	-107.59	329.67	3.08	-104.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C(F)=C1	REAL300000438473	0	31	-2.0	-95.50	309.38	2.46	-93.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1Cl	REAL300000438474	0	31	-2.0	-93.93	316.41	2.80	-91.13
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)N=C1	REAL300000438475	0	34	-2.0	-102.72	333.36	3.59	-99.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=CC(F)=C1F	REAL300000438476	0	31	-2.0	-97.84	314.74	2.49	-95.35
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1	REAL300000438477	0	33	-2.0	-93.73	332.13	3.06	-90.67
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1	REAL300000438478	0	32	-2.0	-109.77	313.64	0.09	-109.68
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1	REAL300000438479	0	34	-2.0	-100.39	326.09	3.17	-97.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=CC(Cl)=C1F	REAL300000438480	0	31	-2.0	-99.19	324.63	2.93	-96.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)N=C1	REAL300000438481	1	34	-2.0	-104.17	313.96	3.03	-101.14
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=CC(C(=O)[O-])=C1F	REAL300000438482	1	34	-2.0	-107.42	328.76	3.04	-104.38
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)N=C1	REAL300000438483	1	34	-2.0	-96.87	319.34	3.17	-93.70
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=CC(C(=O)[O-])=C1C	REAL300000438484	1	37	-2.0	-112.69	340.73	3.57	-109.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=CC=C1[N+](=O)[O-]	REAL300000438485	0	33	-2.0	-107.17	330.48	3.48	-103.69
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1	REAL300000438486	0	31	-2.0	-97.81	315.68	2.51	-95.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C(C)=C1C(=O)[O-]	REAL300000438487	1	37	-2.0	-108.35	338.41	3.80	-104.55
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000438488	0	34	-2.0	-107.25	325.40	3.01	-104.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1Cl	REAL300000438489	0	34	-2.0	-106.67	335.70	3.52	-103.15
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1	REAL300000438490	0	34	-2.0	-112.27	328.94	3.08	-109.19
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000438491	1	37	-2.0	-110.25	338.17	3.57	-106.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1CC(=O)[O-]	REAL300000438492	1	38	-2.0	-110.91	354.39	2.53	-108.38
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)N=C1	REAL300000438493	0	34	-2.0	-97.72	330.19	3.57	-94.15
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000438494	0	34	-2.0	-106.11	335.15	3.35	-102.76
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000438495	0	35	-2.0	-108.07	331.94	2.62	-105.45
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000438496	0	34	-2.0	-102.89	337.67	3.47	-99.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000438497	1	34	-2.0	-96.40	319.93	2.94	-93.46
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)N=C1	REAL300000438498	1	34	-2.0	-108.07	323.88	3.21	-104.86
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1[N+](=O)[O-]	REAL300000438499	0	33	-2.0	-114.90	327.66	4.25	-110.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1F	REAL300000438500	0	31	-2.0	-111.58	307.59	2.42	-109.16
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000438501	0	34	-2.0	-101.12	328.86	3.07	-98.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=CC2=CC=CC=C21	REAL300000438502	0	37	-2.0	-116.53	344.96	4.52	-112.01
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C1	REAL300000438503	0	30	-2.0	-106.01	300.14	0.51	-105.50
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)N=C1	REAL300000438504	0	35	-2.0	-100.50	332.13	2.19	-98.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)=C(Cl)O1	REAL300000438505	0	28	-2.0	-96.83	304.07	1.37	-95.46
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(OC(F)F)N=C3)C=C2)CC1	REAL300000438506	0	38	-2.0	-103.38	350.05	4.28	-99.10
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(OC(F)F)N=C3)C=C2C1	REAL300000438507	0	38	-2.0	-105.27	349.36	4.27	-101.00
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000438508	0	34	-2.0	-103.30	326.06	2.39	-100.91
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000438509	0	41	-2.0	-87.40	376.67	2.96	-84.44
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000438510	1	34	-2.0	-103.43	324.73	4.41	-99.02
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000438511	0	42	-2.0	-105.34	379.81	5.47	-99.87
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000438512	1	34	-2.0	-93.66	320.17	4.38	-89.28
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000438513	1	34	-2.0	-105.83	320.19	4.37	-101.46
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000438514	0	38	-2.0	-112.42	348.33	4.17	-108.25
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000438515	1	38	-2.0	-93.41	351.66	5.67	-87.74
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000438516	1	37	-2.0	-106.91	336.20	4.91	-102.00
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000438517	0	34	-2.0	-102.67	333.26	4.94	-97.73
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000438518	1	34	-2.0	-101.72	332.71	4.77	-96.95
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000438519	1	40	-2.0	-110.38	352.85	5.72	-104.66
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000438520	0	34	-2.0	-104.17	325.65	4.44	-99.73
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000438521	1	40	-2.0	-92.85	363.77	5.96	-86.89
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000438522	0	31	-2.0	-100.37	313.38	3.39	-96.98
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000438523	1	37	-2.0	-108.31	335.62	5.15	-103.16
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000438524	1	38	-2.0	-92.02	351.28	4.65	-87.37
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000438525	0	35	-2.0	-104.22	326.84	3.72	-100.50
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000438526	1	38	-2.0	-109.11	343.97	3.20	-105.91
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000438527	0	34	-2.0	-96.54	329.29	4.05	-92.49
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000438528	1	40	-2.0	-109.50	351.64	5.68	-103.82
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000438529	0	31	-2.0	-101.73	311.85	3.41	-98.32
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000438530	1	42	-2.0	-106.37	378.53	4.19	-102.18
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000438531	1	38	-2.0	-111.73	347.48	4.44	-107.29
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000438532	1	44	-2.0	-111.99	375.42	7.00	-104.99
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000438533	1	43	-2.0	-110.28	374.09	6.37	-103.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC=C1NC	REAL300000438534	1	40	-2.0	-106.98	348.48	6.11	-100.87
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000438535	0	41	-2.0	-111.23	370.62	4.94	-106.29
CNC1=CC=C(C#N)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000438536	0	37	-2.0	-113.69	347.72	4.92	-108.77
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000438536	1	36	-3.0	-180.43	348.59	4.94	-175.49
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000438537	1	41	-2.0	-112.29	364.43	6.26	-106.03
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000438538	0	34	-2.0	-101.13	323.19	3.52	-97.61
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000438539	1	40	-2.0	-110.58	362.36	4.15	-106.43
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000438540	0	38	-2.0	-104.76	349.11	3.46	-101.30
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000438541	1	42	-2.0	-92.60	373.12	4.97	-87.63
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000438542	0	34	-2.0	-99.49	337.78	4.97	-94.52
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000438543	1	38	-2.0	-90.64	367.30	5.19	-85.45
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000438544	1	41	-2.0	-92.48	371.34	5.36	-87.12
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000438545	1	37	-2.0	-98.81	340.90	5.18	-93.63
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000438546	1	38	-2.0	-91.63	357.49	4.71	-86.92
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2NC)C=C1C(=O)[O-]	REAL300000438547	1	41	-2.0	-112.32	369.37	5.35	-106.97
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000438548	0	34	-2.0	-104.53	329.88	4.25	-100.28
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000438549	0	34	-2.0	-91.17	333.24	4.94	-86.23
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000438550	1	34	-2.0	-93.26	324.71	4.41	-88.85
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000438551	0	31	-2.0	-95.37	312.45	3.49	-91.88
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000438552	0	34	-2.0	-96.90	326.61	4.44	-92.46
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000438553	0	37	-2.0	-105.51	345.94	5.07	-100.44
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000438554	0	38	-2.0	-95.73	360.49	5.00	-90.73
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000438555	0	34	-2.0	-92.77	325.65	4.45	-88.32
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000438556	1	34	-2.0	-91.27	332.68	4.78	-86.49
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000438557	1	37	-2.0	-100.50	349.63	5.56	-94.94
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000438558	0	42	-2.0	-90.23	383.94	5.79	-84.44
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000438559	1	34	-2.0	-95.21	331.01	4.47	-90.74
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000438560	0	36	-2.0	-91.11	348.38	5.03	-86.08
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000438561	0	35	-2.0	-107.69	329.90	2.07	-105.62
CNC1=CC=C(C#N)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000438561	1	35	-2.0	-119.10	323.98	2.53	-116.57
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000438562	1	37	-2.0	-98.05	342.37	5.15	-92.90
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000438563	1	34	-2.0	-96.56	340.90	4.91	-91.65
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000438564	1	37	-2.0	-100.67	330.23	4.99	-95.68
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000438565	1	37	-2.0	-104.70	345.03	5.03	-99.67
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000438566	1	37	-2.0	-94.19	335.60	5.13	-89.06
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000438567	1	40	-2.0	-108.67	353.65	5.45	-103.22
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000438568	0	36	-2.0	-104.26	346.76	5.46	-98.80
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000438569	0	34	-2.0	-95.59	331.92	4.50	-91.09
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000438570	1	40	-2.0	-105.10	353.71	5.77	-99.33
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000438571	0	37	-2.0	-106.41	345.51	5.07	-101.34
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000438572	0	37	-2.0	-104.42	351.97	5.51	-98.91
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000438573	0	37	-2.0	-108.80	345.23	5.07	-103.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2NC)C=C1C(=O)[O-]	REAL300000438574	1	40	-2.0	-107.59	354.49	5.57	-102.02
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000438575	1	41	-2.0	-108.60	370.66	4.50	-104.10
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000438576	1	37	-2.0	-94.53	346.45	5.55	-88.98
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000438577	1	37	-2.0	-90.33	350.31	5.17	-85.16
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000438578	1	37	-2.0	-103.47	351.42	5.32	-98.15
CCN1C=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2NC)C=C1C(=O)[O-]	REAL300000438579	0	38	-2.0	-105.42	348.12	4.58	-100.84
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000438580	1	46	-2.0	-103.85	385.34	7.24	-96.61
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000438581	1	37	-2.0	-100.44	353.96	5.43	-95.01
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000438582	0	43	-2.0	-103.96	369.53	6.49	-97.47
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000438583	0	38	-2.0	-108.33	360.51	5.00	-103.33
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000438584	1	37	-2.0	-93.81	336.19	4.92	-88.89
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000438585	0	39	-2.0	-98.23	363.44	6.56	-91.67
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000438586	1	37	-2.0	-106.05	339.72	5.22	-100.83
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000438587	0	36	-2.0	-110.98	343.92	6.21	-104.77
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000438588	0	34	-2.0	-108.06	323.82	4.40	-103.66
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000438589	1	37	-2.0	-98.67	345.15	5.04	-93.63
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000438590	1	40	-2.0	-113.76	361.23	6.49	-107.27
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000438591	0	33	-2.0	-104.82	317.16	2.43	-102.39
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000438592	0	38	-2.0	-97.74	348.39	4.17	-93.57
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000438593	0	31	-2.0	-94.63	320.29	3.34	-91.29
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000438594	1	41	-2.0	-99.10	364.78	6.21	-92.89
CNC1=CC=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000438595	1	41	-2.0	-94.66	365.27	6.26	-88.40
CCC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC=C2NC)C=C(C(=O)[O-])O1	REAL300000438596	0	37	-2.0	-101.13	342.33	4.35	-96.78
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C(C)C=C1C	REAL300000438597	1	45	-2.0	-89.54	391.60	4.41	-85.13
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438598	1	38	-2.0	-106.00	339.67	5.86	-100.14
COC1=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C(C)C=C1C	REAL300000438599	0	46	-2.0	-107.29	394.75	6.91	-100.38
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438601	1	38	-2.0	-108.77	335.12	5.83	-102.94
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C(OC)=C1	REAL300000438602	0	42	-2.0	-114.59	363.27	5.62	-108.97
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C(C)C=C1C	REAL300000438603	1	42	-2.0	-95.58	366.59	7.12	-88.46
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C(C)C=C1C	REAL300000438605	0	38	-2.0	-104.38	348.20	6.40	-97.98
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438606	1	38	-2.0	-104.46	347.64	6.22	-98.24
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C(C)C=C1C	REAL300000438607	1	44	-2.0	-112.14	367.79	7.17	-104.97
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(C)C=C1C	REAL300000438608	0	38	-2.0	-106.31	340.60	5.89	-100.42
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C(C)C=C1C	REAL300000438609	1	44	-2.0	-94.93	378.69	7.42	-87.51
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(C)C=C1C	REAL300000438610	0	35	-2.0	-103.00	328.31	4.84	-98.16
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C(C)C=C1C	REAL300000438611	1	41	-2.0	-109.87	350.56	6.61	-103.26
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438613	1	39	-2.0	-107.01	341.77	5.18	-101.83
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C(C)C=C1C	REAL300000438615	0	38	-2.0	-99.02	344.23	5.51	-93.51
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438617	0	35	-2.0	-104.34	326.78	4.86	-99.48
COC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438618	1	46	-2.0	-109.08	393.46	5.64	-103.44
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C(C)C=C1C	REAL300000438620	1	48	-2.0	-113.93	390.36	8.46	-105.47
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C(C)C=C1C	REAL300000438621	1	47	-2.0	-112.10	389.02	7.84	-104.26
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=C(C)C=C1C	REAL300000438622	1	44	-2.0	-108.07	364.62	7.53	-100.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(C)C(OC)=C1	REAL300000438623	0	45	-2.0	-114.84	385.56	6.38	-108.46
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438624	0	41	-2.0	-110.09	362.83	6.30	-103.79
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438624	1	40	-3.0	-184.30	363.54	6.39	-177.91
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C(C)C=C1C	REAL300000438625	1	45	-2.0	-114.29	379.37	7.72	-106.57
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438626	0	38	-2.0	-102.68	338.14	4.96	-97.72
COC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438627	1	44	-2.0	-113.57	377.30	5.60	-107.97
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C(C)C=C1C	REAL300000438628	0	42	-2.0	-109.34	364.05	4.91	-104.43
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C(C)C=C1C	REAL300000438630	0	38	-2.0	-100.97	352.72	6.41	-94.56
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C(C)C=C1C	REAL300000438631	1	42	-2.0	-92.70	382.24	6.65	-86.05
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C(C)C=C1C	REAL300000438633	1	41	-2.0	-100.28	355.84	6.64	-93.64
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C(C)C=C1C	REAL300000438634	1	42	-2.0	-93.62	372.44	6.17	-87.45
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438636	1	38	-2.0	-106.09	344.82	5.71	-100.38
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C(C)C=C1C	REAL300000438637	0	38	-2.0	-93.38	348.18	6.39	-86.99
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(C)C=C1C	REAL300000438638	1	38	-2.0	-95.36	339.64	5.87	-89.49
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(C)C=C1C	REAL300000438639	0	35	-2.0	-97.74	327.38	4.96	-92.78
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438640	1	38	-2.0	-99.48	341.54	5.88	-93.60
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C(C)C=C1C	REAL300000438641	0	41	-2.0	-107.82	360.88	6.52	-101.30
COC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C(C)C=C1C	REAL300000438642	0	42	-2.0	-98.01	375.43	6.45	-91.56
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(C)C=C1C	REAL300000438643	0	38	-2.0	-95.45	340.60	5.90	-89.55
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C(C)C=C1C	REAL300000438644	1	38	-2.0	-93.48	347.61	6.23	-87.25
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C(C)C=C1C	REAL300000438645	1	41	-2.0	-102.00	364.57	7.03	-94.97
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C(C)C=C1C	REAL300000438646	1	46	-2.0	-92.31	398.87	7.24	-85.07
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438647	1	38	-2.0	-97.53	345.94	5.92	-91.61
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C(C)C=C1C	REAL300000438648	1	40	-2.0	-93.50	363.31	6.50	-87.00
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C(C)C=C1C	REAL300000438649	0	39	-2.0	-108.86	344.84	3.54	-105.32
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C(C)C=C1C	REAL300000438649	1	39	-2.0	-105.91	338.97	4.40	-101.51
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C(C)C=C1C	REAL300000438650	1	41	-2.0	-99.81	357.29	6.61	-93.20
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438651	1	38	-2.0	-99.06	355.83	6.36	-92.70
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C(C)C=C1C	REAL300000438652	1	41	-2.0	-104.50	345.17	6.48	-98.02
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438656	0	40	-2.0	-106.69	361.69	6.92	-99.77
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C(C)C=C1C	REAL300000438657	0	38	-2.0	-97.77	346.86	5.95	-91.82
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C(C)C=C1C	REAL300000438659	0	41	-2.0	-107.46	356.60	6.43	-101.03
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C(C)C=C1C	REAL300000438660	0	41	-2.0	-106.23	366.91	6.96	-99.27
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C(C)C=C1C	REAL300000438661	0	41	-2.0	-113.27	360.17	6.52	-106.75
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C(C)C=C1C	REAL300000438664	1	41	-2.0	-97.80	361.39	7.01	-90.79
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438665	1	41	-2.0	-106.28	366.35	6.79	-99.49
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(C)C=C2C)C=C1C(=O)[O-]	REAL300000438666	1	42	-2.0	-108.27	363.08	6.03	-102.24
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438668	1	41	-2.0	-102.12	364.99	6.79	-95.33
COC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438669	0	47	-2.0	-105.55	384.56	7.96	-97.59
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C(C)C=C1C	REAL300000438670	0	42	-2.0	-110.01	375.45	6.46	-103.55
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C(C)C=C1C	REAL300000438672	0	43	-2.0	-100.22	375.85	8.00	-92.22
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C(C)C=C1C	REAL300000438674	0	40	-2.0	-115.38	358.85	7.68	-107.70
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(C)C=C1C	REAL300000438675	0	38	-2.0	-112.49	338.76	5.85	-106.64
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438676	1	41	-2.0	-100.41	356.29	6.40	-94.01
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438677	1	44	-2.0	-117.10	376.17	7.95	-109.15
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(C)C=C1C	REAL300000438678	0	37	-2.0	-106.29	332.11	3.89	-102.40
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C(C)C=C1C	REAL300000438679	0	42	-2.0	-100.33	363.33	5.62	-94.71
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C(C)C=C1C	REAL300000438680	0	35	-2.0	-96.39	335.24	4.81	-91.58
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C(C)C=C1C	REAL300000438681	1	45	-2.0	-102.86	381.25	7.71	-95.15
COC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C(C)C=C1C	REAL300000438682	1	45	-2.0	-105.29	379.22	7.70	-97.59
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=C(C)C=C2C)C=C(C(=O)[O-])O1	REAL300000438683	0	41	-2.0	-102.57	357.24	5.81	-96.76
CC(NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300000438684	1	46	-2.0	-98.67	397.04	8.52	-90.15
CC(NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000438685	1	46	-2.0	-112.06	396.97	8.51	-103.55
CC(NC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000438686	0	47	-2.0	-110.24	403.71	7.85	-102.39
CC(NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=CC=C1	REAL300000438687	0	45	-2.0	-109.46	393.18	6.62	-102.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=CC=C1F	REAL300000438688	1	33	-2.0	-102.56	329.31	4.84	-97.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1	REAL300000438689	1	33	-2.0	-95.86	324.75	4.81	-91.05
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C1	REAL300000438690	1	33	-2.0	-104.76	324.79	4.80	-99.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=CS2)C=C1	REAL300000438691	0	37	-2.0	-109.67	352.91	4.60	-105.07
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1	REAL300000438692	1	37	-2.0	-95.46	356.22	6.10	-89.36
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1C(=O)[O-]	REAL300000438693	1	36	-2.0	-107.19	344.86	5.45	-101.74
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C1	REAL300000438694	0	33	-2.0	-100.19	337.84	5.38	-94.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=CC=C1Cl	REAL300000438695	1	33	-2.0	-100.74	337.28	5.20	-95.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C1C	REAL300000438696	1	39	-2.0	-107.26	357.17	6.12	-101.14
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C1	REAL300000438697	0	33	-2.0	-101.65	330.25	4.87	-96.78
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1	REAL300000438698	1	39	-2.0	-94.84	368.34	6.40	-88.44
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C1	REAL300000438699	0	30	-2.0	-99.29	317.96	3.82	-95.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=CS2)C=C1	REAL300000438700	1	36	-2.0	-105.52	340.20	5.60	-99.92
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1	REAL300000438701	1	37	-2.0	-94.13	355.84	5.09	-89.04
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1C(=O)[O-]	REAL300000438702	0	34	-2.0	-103.33	331.43	4.15	-99.18
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=CS2)C=C1	REAL300000438703	1	37	-2.0	-105.88	348.97	3.63	-102.25
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C1	REAL300000438704	0	33	-2.0	-95.65	333.90	4.49	-91.16
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1C(=O)[O-]	REAL300000438705	1	39	-2.0	-108.00	360.22	6.24	-101.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=CS1	REAL300000438706	0	30	-2.0	-100.69	316.42	3.85	-96.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1C(=O)[O-]	REAL300000438707	1	37	-2.0	-110.61	352.06	4.87	-105.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=CS2)C=C1	REAL300000438708	1	39	-2.0	-103.97	354.91	6.54	-97.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C(C(=O)[O-])O1	REAL300000438709	0	33	-2.0	-99.01	327.81	3.96	-95.05
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C1	REAL300000438710	0	37	-2.0	-106.08	353.75	3.89	-102.19
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=CS2)C=C1	REAL300000438711	1	36	-2.0	-96.40	345.48	5.63	-90.77
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C(C(=O)[O-])S1	REAL300000438712	0	33	-2.0	-102.17	333.38	4.71	-97.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C(Cl)=C1	REAL300000438713	0	33	-2.0	-90.57	337.82	5.37	-85.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1F	REAL300000438714	1	33	-2.0	-92.63	329.31	4.85	-87.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)S1	REAL300000438715	0	30	-2.0	-94.55	317.03	3.94	-90.61
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C1	REAL300000438716	1	33	-2.0	-95.92	331.19	4.87	-91.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C1F	REAL300000438717	0	36	-2.0	-103.05	350.54	5.51	-97.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C(F)=C1	REAL300000438718	0	33	-2.0	-92.27	330.24	4.88	-87.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1Cl	REAL300000438719	1	33	-2.0	-90.57	337.28	5.21	-85.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=CC(F)=C1F	REAL300000438720	1	33	-2.0	-94.37	335.60	4.90	-89.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C1	REAL300000438721	0	34	-2.0	-104.36	334.49	2.52	-101.84
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=NN=CS3)C=C2)=C1	REAL300000438721	1	34	-2.0	-105.43	333.72	3.31	-102.12
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1	REAL300000438722	1	36	-2.0	-99.63	346.94	5.59	-94.04
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=CS2)C=C1	REAL300000438723	1	36	-2.0	-102.47	338.61	5.55	-96.92
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000438724	1	36	-2.0	-103.82	349.61	5.46	-98.36
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=CS2)C=C1	REAL300000438725	1	36	-2.0	-93.24	340.18	5.58	-87.66
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000438726	1	39	-2.0	-107.62	357.65	5.87	-101.75
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C1	REAL300000438727	0	33	-2.0	-93.62	336.53	4.93	-88.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C(C)=C1C(=O)[O-]	REAL300000438728	1	39	-2.0	-105.73	358.16	6.21	-99.52
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1C(=O)[O-]	REAL300000438729	0	36	-2.0	-102.70	346.25	5.41	-97.29
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C1	REAL300000438730	0	36	-2.0	-109.79	349.81	5.50	-104.29
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1C(=O)[O-]	REAL300000438731	1	39	-2.0	-106.46	359.10	5.99	-100.47
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1C(=O)[O-]	REAL300000438732	0	37	-2.0	-104.56	352.79	5.03	-99.53
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=CC=C1C(=O)[O-]	REAL300000438733	1	36	-2.0	-92.99	340.78	5.35	-87.64
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=CS2)C=C1	REAL300000438734	1	36	-2.0	-103.15	344.72	5.63	-97.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C1F	REAL300000438735	0	33	-2.0	-109.16	328.43	4.84	-104.32
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C1C(=O)[O-]	REAL300000438736	1	36	-2.0	-97.63	349.73	5.48	-92.15
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C1	REAL300000438737	0	32	-2.0	-102.37	320.98	2.93	-99.44
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=CS2)C=C1	REAL300000438738	0	37	-2.0	-96.81	352.98	4.61	-92.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)=C(Cl)O1	REAL300000438739	0	30	-2.0	-93.01	324.92	3.78	-89.23
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=CS3)C=C2)C=C(C(=O)[O-])O1	REAL300000438740	0	36	-2.0	-98.74	346.90	4.80	-93.94
CC1=CN(C2=CC=C(Cl)C=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000438741	0	38	-2.0	-104.62	367.19	8.35	-96.27
CC1=CN(C2=CC=C(Cl)C=C2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000438742	0	38	-2.0	-117.93	367.21	8.34	-109.59
CC1=CN(C2=CC=C(Cl)C=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000438743	0	35	-2.0	-111.88	360.40	7.37	-104.51
CC1=CN(C2=CC=C(Cl)C=C2)N=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000438744	0	39	-2.0	-116.07	373.86	7.69	-108.38
CC1=CN(C2=CC=C(Cl)C=C2)N=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000438745	0	35	-2.0	-113.27	358.86	7.36	-105.91
CC1=CN(C2=CC=C(Cl)C=C2)N=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000438746	0	38	-2.0	-111.63	370.22	7.49	-104.14
CC1=CN(C2=CC=C(Cl)C=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000438747	0	35	-2.0	-106.49	359.47	7.47	-99.02
CC1=CN(C2=CC=C(Cl)C=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000438748	0	37	-2.0	-115.93	364.19	6.40	-109.53
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000438749	0	45	-2.0	-84.47	393.77	3.42	-81.05
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000438750	0	38	-2.0	-99.75	341.84	4.87	-94.88
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=N1	REAL300000438751	0	46	-2.0	-101.34	396.93	5.92	-95.42
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000438752	0	38	-2.0	-90.11	337.30	4.85	-85.26
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000438753	0	38	-2.0	-101.94	337.31	4.84	-97.10
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000438754	0	42	-2.0	-107.33	365.45	4.63	-102.70
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000438755	0	42	-2.0	-90.16	368.76	6.13	-84.03
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000438756	0	41	-2.0	-102.91	353.35	5.37	-97.54
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000438757	0	38	-2.0	-98.03	350.38	5.41	-92.62
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000438758	0	38	-2.0	-97.92	349.81	5.23	-92.69
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=N1	REAL300000438759	0	44	-2.0	-105.08	369.70	6.16	-98.92
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000438760	0	38	-2.0	-99.15	342.79	4.90	-94.25
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000438761	0	44	-2.0	-89.32	380.87	6.43	-82.89
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000438762	0	35	-2.0	-96.53	330.50	3.85	-92.68
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300000438763	0	41	-2.0	-103.38	352.74	5.62	-97.76
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000438764	0	42	-2.0	-88.83	368.38	5.12	-83.71
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000438765	0	39	-2.0	-100.34	343.96	4.19	-96.15
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=N1	REAL300000438766	0	42	-2.0	-103.82	361.52	3.66	-100.16
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=N1	REAL300000438767	0	38	-2.0	-92.55	346.43	4.52	-88.03
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=N1	REAL300000438768	0	44	-2.0	-104.76	368.38	6.19	-98.57
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000438769	0	35	-2.0	-97.90	328.96	3.87	-94.03
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000438770	0	46	-2.0	-102.33	395.64	4.65	-97.68
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000438771	0	42	-2.0	-107.87	364.60	4.90	-102.97
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000438772	0	48	-2.0	-106.98	392.56	7.45	-99.53
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=N1	REAL300000438773	0	47	-2.0	-105.40	391.21	6.85	-98.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(C)CC)N=C1	REAL300000438774	0	44	-2.0	-102.17	367.47	6.56	-95.61
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=N1	REAL300000438775	0	45	-2.0	-107.55	387.74	5.40	-102.15
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000438776	0	40	-3.0	-175.01	365.73	5.40	-169.61
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000438777	0	45	-2.0	-107.27	381.56	6.72	-100.55
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=N1	REAL300000438778	0	38	-2.0	-96.36	340.32	3.97	-92.39
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000438779	0	44	-2.0	-106.56	379.49	4.61	-101.95
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=N1	REAL300000438780	0	42	-2.0	-102.77	366.22	3.94	-98.83
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000438781	0	46	-2.0	-90.08	390.94	5.46	-84.62
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000438782	0	38	-2.0	-95.02	354.90	5.43	-89.59
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000438783	0	42	-2.0	-87.55	384.41	5.66	-81.89
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=N1	REAL300000438784	0	45	-2.0	-89.23	388.47	5.83	-83.40
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=N1	REAL300000438785	0	41	-2.0	-94.13	358.02	5.66	-88.47
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000438786	0	42	-2.0	-88.56	374.60	5.18	-83.38
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(C)CC)N=C2)C=C1C(=O)[O-]	REAL300000438787	0	45	-2.0	-108.52	386.45	5.81	-102.71
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=N1	REAL300000438788	0	38	-2.0	-100.10	345.91	4.73	-95.37
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000438789	0	38	-2.0	-87.95	350.36	5.40	-82.55
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000438790	0	38	-2.0	-89.73	341.83	4.88	-84.85
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000438791	0	35	-2.0	-91.58	329.58	3.97	-87.61
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000438792	0	38	-2.0	-93.19	343.72	4.90	-88.29
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=N1	REAL300000438793	0	41	-2.0	-100.32	363.07	5.54	-94.78
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000438794	0	42	-2.0	-92.50	377.62	5.46	-87.04
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000438795	0	38	-2.0	-89.27	342.77	4.91	-84.36
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000438796	0	38	-2.0	-87.72	349.81	5.24	-82.48
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=N1	REAL300000438797	0	41	-2.0	-95.78	366.75	6.05	-89.73
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000438798	0	46	-2.0	-87.30	401.06	6.25	-81.05
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000438799	0	38	-2.0	-91.54	348.14	4.93	-86.61
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000438800	0	40	-2.0	-87.37	365.51	5.51	-81.86
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000438801	0	39	-2.0	-102.40	347.02	2.55	-99.85
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000438802	0	41	-2.0	-93.56	359.48	5.62	-87.94
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000438803	0	38	-2.0	-92.97	358.02	5.37	-87.60
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000438804	0	41	-2.0	-98.35	347.38	5.47	-92.88
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000438805	0	41	-2.0	-100.96	362.16	5.49	-95.47
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000438806	0	41	-2.0	-90.82	352.72	5.61	-85.21
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000438807	0	44	-2.0	-106.02	374.81	6.04	-99.98
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000438808	0	40	-2.0	-100.93	363.89	5.93	-95.00
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000438809	0	38	-2.0	-90.89	349.07	4.96	-85.93
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000438810	0	44	-2.0	-102.43	371.79	6.22	-96.21
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=N1	REAL300000438811	0	41	-2.0	-100.04	358.79	5.44	-94.60
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=N1	REAL300000438812	0	41	-2.0	-99.63	369.07	5.97	-93.66
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=N1	REAL300000438813	0	41	-2.0	-106.30	362.35	5.53	-100.77
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(C)CC)N=C2)C=C1C(=O)[O-]	REAL300000438814	0	44	-2.0	-103.57	371.25	6.02	-97.55
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=N1	REAL300000438815	0	45	-2.0	-103.96	387.77	4.97	-98.99
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=N1	REAL300000438816	0	41	-2.0	-91.71	363.57	6.02	-85.69
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000438817	0	41	-2.0	-99.52	368.55	5.80	-93.72
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=N1	REAL300000438818	0	42	-2.0	-101.58	365.33	5.06	-96.52
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=N1	REAL300000438819	0	50	-2.0	-102.38	402.46	7.72	-94.66
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000438820	0	41	-2.0	-96.54	371.05	5.91	-90.63
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300000438821	0	47	-2.0	-100.08	386.77	6.96	-93.12
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=N1	REAL300000438822	0	42	-2.0	-103.62	377.64	5.47	-98.15
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000438823	0	41	-2.0	-90.10	353.31	5.38	-84.72
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000438824	0	43	-2.0	-94.61	380.59	7.02	-87.59
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=N1	REAL300000438825	0	41	-2.0	-101.05	357.26	5.64	-95.41
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000438826	0	40	-2.0	-109.14	361.06	6.70	-102.44
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000438827	0	38	-2.0	-105.76	340.93	4.86	-100.90
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000438828	0	41	-2.0	-94.78	362.25	5.51	-89.27
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000438829	0	44	-2.0	-109.91	378.35	6.96	-102.95
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000438830	0	37	-2.0	-99.25	334.29	2.91	-96.34
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=N1	REAL300000438831	0	42	-2.0	-94.05	365.51	4.64	-89.41
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000438832	0	35	-2.0	-90.20	337.46	3.80	-86.40
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000438833	0	45	-2.0	-96.70	383.44	6.72	-89.98
CCC(C)C1=NC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000438834	0	45	-2.0	-99.40	382.76	6.72	-92.68
CCC1=C(S(=O)(=O)[N-]C2=CN=C(C(C)CC)N=C2)C=C(C(=O)[O-])O1	REAL300000438835	0	41	-2.0	-96.36	359.43	4.83	-91.53
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3O)C=C2)=C1	REAL300000438838	0	43	-2.0	-105.14	380.72	3.89	-101.25
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3O)C=C2)C=C1C(=O)[O-]	REAL300000438839	1	47	-2.0	-109.71	394.17	4.23	-105.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3O)C=C2)=CS1	REAL300000438840	1	43	-2.0	-106.98	379.18	3.91	-103.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3O)C=C2)C=C(C(=O)[O-])O1	REAL300000438841	0	46	-2.0	-105.24	390.54	4.01	-101.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3O)C=C2)S1	REAL300000438842	0	43	-2.0	-100.13	379.79	4.00	-96.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3CCCCC3O)C=C2)=C1	REAL300000438843	0	45	-2.0	-108.64	383.74	2.99	-105.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CNC3=O)=C2)C=C1	REAL300000438844	1	37	-2.0	-101.92	353.37	3.25	-98.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CNC3=O)=C2)=C1	REAL300000438845	1	37	-2.0	-114.37	353.38	3.24	-111.13
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CNC3=O)=C2)=C1	REAL300000438846	0	34	-2.0	-108.59	346.57	2.26	-106.33
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CNC3=O)=C2)C=C1C(=O)[O-]	REAL300000438847	1	38	-2.0	-112.72	360.02	2.59	-110.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CNC3=O)=C2)=CS1	REAL300000438848	0	34	-2.0	-110.17	345.03	2.27	-107.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CNC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000438849	0	37	-2.0	-108.06	356.39	2.38	-105.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CNC3=O)=C2)S1	REAL300000438850	0	34	-2.0	-103.35	345.66	2.37	-100.98
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CNC3=O)=C2)=C1	REAL300000438851	0	36	-2.0	-111.84	349.60	1.37	-110.47
CCN(C1=CC=CC=C1Cl)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000438877	0	37	-2.0	-108.62	354.87	8.41	-100.21
CCN(C1=CC=CC=C1Cl)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000438898	0	35	-2.0	-107.25	326.74	6.65	-100.60
CCCN(C1=CC=CC([N+](=O)[O-])=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000438960	0	40	-2.0	-120.44	351.03	7.42	-113.02
COC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300000438980	1	44	-2.0	-115.90	386.94	5.89	-110.01
COC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)C=N1	REAL300000438981	0	43	-2.0	-113.81	383.14	4.02	-109.79
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CO2)C=C1F	REAL300000438985	1	39	-2.0	-111.99	359.66	6.60	-105.39
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)=C1	REAL300000438988	1	35	-2.0	-102.43	344.59	7.38	-95.05
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)=C1	REAL300000438991	1	35	-2.0	-104.10	337.00	6.87	-97.23
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)=C1	REAL300000438993	0	32	-2.0	-101.87	324.70	5.82	-96.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)=C1	REAL300000438998	1	35	-2.0	-98.13	340.65	6.49	-91.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)C=C(C(=O)[O-])O1	REAL300000439003	1	35	-2.0	-100.96	334.53	5.95	-95.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)=C1	REAL300000439004	1	39	-2.0	-111.05	356.01	5.97	-105.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)S1	REAL300000439009	1	32	-2.0	-96.99	323.78	5.93	-91.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)=C1F	REAL300000439011	1	38	-2.0	-109.60	352.84	7.58	-102.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)C(F)=C1	REAL300000439012	1	35	-2.0	-94.88	336.98	6.87	-88.01
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=CC=CO3)C=C2F)=C1	REAL300000439015	0	36	-2.0	-107.06	335.67	5.34	-101.72
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)=C1	REAL300000439021	1	35	-2.0	-99.56	338.83	7.01	-92.55
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)C=C1C(=O)[O-]	REAL300000439023	1	38	-2.0	-109.30	348.57	7.48	-101.82
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)=C1	REAL300000439024	1	38	-2.0	-114.96	352.14	7.57	-107.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)=C1F	REAL300000439029	1	35	-2.0	-112.62	335.16	6.83	-105.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)=C1	REAL300000439031	0	34	-2.0	-108.26	323.30	5.01	-103.25
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CO2)C=C1F	REAL300000439032	1	39	-2.0	-99.35	359.72	6.60	-92.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)=C(Cl)O1	REAL300000439033	0	32	-2.0	-95.13	331.63	5.80	-89.33
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CO3)C=C2F)C=C(C(=O)[O-])O1	REAL300000439034	1	38	-2.0	-100.68	353.65	6.80	-93.88
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(OC)C(C)=C1OC	REAL300000439035	0	43	-2.0	-106.00	382.42	4.51	-101.49
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C(OC)C(C)=C1OC	REAL300000439036	0	43	-2.0	-96.27	377.85	4.50	-91.77
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(OC)C(C)=C1OC	REAL300000439037	0	43	-2.0	-109.16	377.89	4.48	-104.68
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C(OC)C(C)=C1OC	REAL300000439038	0	46	-2.0	-109.53	396.26	5.10	-104.43
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(OC)C(C)=C1OC	REAL300000439039	0	43	-2.0	-106.37	383.36	4.54	-101.83
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(OC)C(C)=C1OC	REAL300000439040	0	40	-2.0	-103.36	371.07	3.48	-99.88
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C(OC)C(C)=C1OC	REAL300000439041	0	46	-2.0	-109.91	393.33	5.24	-104.67
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(OC)C(C)=C1OC	REAL300000439042	0	44	-2.0	-107.40	384.54	3.82	-103.58
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(OC)C(C)=C1OC	REAL300000439043	0	40	-2.0	-104.29	369.54	3.51	-100.78
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(OC)C(C)=C1OC	REAL300000439044	0	43	-2.0	-102.89	380.89	3.61	-99.28
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(OC)C(C)=C1OC	REAL300000439045	0	43	-2.0	-95.90	384.77	4.60	-91.30
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(OC)C(C)=C1OC	REAL300000439046	0	40	-2.0	-98.10	372.51	3.68	-94.42
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(OC)C(C)=C1OC	REAL300000439047	0	43	-2.0	-99.51	384.30	4.56	-94.95
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(OC)C(C)=C1OC	REAL300000439048	0	43	-2.0	-95.74	383.34	4.54	-91.20
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C(OC)C(C)=C1OC	REAL300000439049	0	44	-2.0	-108.75	387.60	2.17	-106.58
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C(OC)C(C)=C1OC	REAL300000439050	0	46	-2.0	-100.12	402.41	5.35	-94.77
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C(OC)C(C)=C1OC	REAL300000439051	0	46	-2.0	-104.55	387.91	5.11	-99.44
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C(OC)C(C)=C1OC	REAL300000439052	0	46	-2.0	-96.52	393.30	5.23	-91.29
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C)=C2OC)C=C1C(=O)[O-]	REAL300000439053	0	47	-2.0	-108.67	405.90	4.69	-103.98
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C(OC)C(C)=C1OC	REAL300000439054	0	46	-2.0	-96.81	396.25	5.12	-91.69
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(OC)C(C)=C1OC	REAL300000439055	0	43	-2.0	-112.69	381.52	4.50	-108.19
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(OC)C(C)=C1OC	REAL300000439056	0	42	-2.0	-107.48	376.45	2.68	-104.80
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C)=C2OC)C=C(C(=O)[O-])O1	REAL300000439057	0	46	-2.0	-102.70	397.03	4.37	-98.33
CCN(C1=CC=C(Cl)C(F)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000439090	0	35	-2.0	-107.80	323.81	6.64	-101.16
N#CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1OC(F)(F)F	REAL300000439116	1	33	-2.0	-94.29	331.87	5.22	-89.07
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1OC(F)(F)F	REAL300000439117	0	30	-2.0	-89.26	325.06	4.23	-85.03
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000439118	1	34	-2.0	-93.00	338.52	4.57	-88.43
N#CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1OC(F)(F)F	REAL300000439119	0	30	-2.0	-90.50	323.52	4.25	-86.25
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000439120	0	33	-2.0	-89.48	334.88	4.35	-85.13
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1OC(F)(F)F	REAL300000439121	0	30	-2.0	-84.69	324.14	4.34	-80.35
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1OC(F)(F)F	REAL300000439122	0	32	-2.0	-91.36	328.86	3.27	-88.09
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000439123	1	36	-2.0	-110.65	342.21	0.07	-110.58
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000439124	1	36	-2.0	-100.36	337.67	0.05	-100.31
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000439125	1	36	-2.0	-112.61	337.67	0.04	-112.57
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)C(N)=O)=C1	REAL300000439126	0	40	-2.0	-117.65	365.81	-0.16	-117.81
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000439127	1	40	-2.0	-99.87	369.14	1.33	-98.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000439128	1	39	-2.0	-114.58	353.52	0.59	-113.99
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000439129	0	36	-2.0	-107.78	350.74	0.61	-107.17
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000439130	1	36	-2.0	-109.12	350.18	0.43	-108.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)=C1C	REAL300000439131	1	42	-2.0	-114.98	370.34	1.39	-113.59
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000439132	0	36	-2.0	-109.68	343.14	0.10	-109.58
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000439133	1	42	-2.0	-98.96	381.25	1.62	-97.34
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000439134	0	33	-2.0	-106.92	330.85	-0.95	-107.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)C(N)=O)=C1	REAL300000439135	1	39	-2.0	-112.81	353.09	0.82	-111.99
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000439137	0	37	-2.0	-111.09	344.31	-0.61	-111.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)=C1	REAL300000439139	0	36	-2.0	-103.43	346.77	-0.29	-103.72
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000439141	0	33	-2.0	-108.86	329.04	-0.92	-109.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)C(N)=O)=C1	REAL300000439143	1	42	-2.0	-110.81	367.84	1.76	-109.05
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000439144	0	36	-2.0	-105.98	340.70	-0.83	-106.81
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)=C1	REAL300000439145	0	40	-2.0	-115.12	366.58	-0.87	-115.99
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)C(N)=O)=C1	REAL300000439146	1	39	-2.0	-103.53	358.37	0.86	-102.67
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)C=C(C(=O)[O-])S1	REAL300000439147	0	36	-2.0	-109.20	347.36	-0.08	-109.28
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000439148	0	36	-2.0	-97.89	350.72	0.60	-97.29
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000439149	1	36	-2.0	-99.72	342.19	0.08	-99.64
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000439150	0	33	-2.0	-102.14	329.93	-0.84	-102.98
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000439151	1	36	-2.0	-103.52	344.07	0.10	-103.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)=C1F	REAL300000439152	0	39	-2.0	-111.14	363.42	0.74	-110.40
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000439153	0	36	-2.0	-100.06	343.13	0.11	-99.95
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000439154	1	36	-2.0	-97.79	350.16	0.44	-97.35
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000439155	1	36	-2.0	-101.57	348.49	0.13	-101.44
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000439156	0	37	-2.0	-111.38	347.37	-2.24	-113.62
NC(=O)C(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000439156	1	37	-2.0	-106.95	336.13	-1.36	-108.31
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000439157	1	39	-2.0	-103.68	359.85	0.81	-102.87
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)C(N)=O)=C1	REAL300000439158	1	39	-2.0	-109.79	347.24	0.69	-109.10
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000439159	1	39	-2.0	-112.12	362.50	0.69	-111.43
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000439161	1	42	-2.0	-116.44	370.34	1.12	-115.32
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000439162	0	36	-2.0	-101.68	349.14	0.18	-101.50
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000439164	0	39	-2.0	-112.29	362.57	0.75	-111.54
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)=C1	REAL300000439165	0	39	-2.0	-118.97	362.70	0.73	-118.24
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000439166	1	42	-2.0	-115.33	371.83	1.25	-114.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000439167	0	40	-2.0	-112.92	365.79	0.25	-112.67
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000439168	1	39	-2.0	-100.54	353.50	0.60	-99.94
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)C(N)=O)=C1	REAL300000439169	1	39	-2.0	-110.38	357.20	0.88	-109.50
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000439170	0	36	-2.0	-118.21	341.33	0.07	-118.14
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000439171	1	39	-2.0	-104.86	358.91	0.61	-104.25
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000439172	0	35	-2.0	-109.49	334.64	-1.91	-111.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)C(N)=O)=C1	REAL300000439173	0	40	-2.0	-104.58	365.86	-0.15	-104.73
NC(=O)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000439174	0	33	-2.0	-100.20	337.81	-0.98	-101.18
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000439175	0	39	-2.0	-106.28	359.52	0.03	-106.25
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000439176	0	34	-2.0	-96.30	338.73	5.83	-90.47
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000439177	0	34	-2.0	-86.58	334.17	5.80	-80.78
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000439178	0	34	-2.0	-97.43	334.20	5.79	-91.64
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000439179	0	38	-2.0	-86.89	365.65	7.09	-79.80
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000439180	0	37	-2.0	-98.96	350.21	6.33	-92.63
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000439181	0	40	-2.0	-100.72	366.59	7.12	-93.60
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000439182	0	34	-2.0	-94.63	339.67	5.86	-88.77
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000439183	0	40	-2.0	-85.91	377.76	7.39	-78.52
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000439184	0	31	-2.0	-92.19	327.38	4.82	-87.37
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000439185	0	37	-2.0	-99.08	349.63	6.59	-92.49
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000439186	0	35	-2.0	-96.03	340.84	5.15	-90.88
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000439187	0	34	-2.0	-88.65	343.33	5.48	-83.17
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1F	REAL300000439188	1	40	-2.0	-99.98	365.65	7.12	-92.86
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000439189	0	31	-2.0	-94.20	325.84	4.85	-89.35
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)OC)C(F)=C1	REAL300000439190	0	40	-2.0	-97.98	364.33	7.53	-90.45
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000439191	0	34	-2.0	-92.58	337.21	4.95	-87.63
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000439192	0	34	-2.0	-95.79	342.80	5.70	-90.09
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000439193	0	34	-2.0	-86.43	338.71	5.84	-80.59
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000439194	0	31	-2.0	-87.92	326.47	4.93	-82.99
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000439195	0	34	-2.0	-88.87	340.61	5.86	-83.01
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000439196	0	34	-2.0	-85.63	339.66	5.87	-79.76
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000439197	0	35	-2.0	-98.08	343.91	3.51	-94.57
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000439198	0	37	-2.0	-89.74	356.36	6.58	-83.16
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000439199	0	37	-2.0	-94.37	344.23	6.43	-87.94
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000439200	1	37	-2.0	-87.16	349.61	6.58	-80.58
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000439201	0	40	-2.0	-99.86	367.07	6.86	-93.00
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000439202	1	40	-2.0	-98.55	368.67	7.19	-91.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000439203	0	40	-2.0	-99.56	368.16	6.98	-92.58
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000439204	0	38	-2.0	-97.19	362.14	6.01	-91.18
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000439205	0	37	-2.0	-86.56	350.20	6.34	-80.22
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000439206	0	34	-2.0	-101.74	337.81	5.82	-95.92
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000439207	0	33	-2.0	-95.26	330.40	3.93	-91.33
COC(=O)C1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000439208	0	31	-2.0	-86.52	334.34	4.77	-81.75
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)OC)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000439209	0	37	-2.0	-92.64	356.32	5.79	-86.85
CNC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000439210	1	42	-2.0	-101.88	381.09	1.79	-100.09
CNC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000439211	1	42	-2.0	-114.30	381.10	1.79	-112.51
CNC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000439212	0	39	-2.0	-108.55	374.28	0.80	-107.75
CNC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000439213	0	43	-2.0	-112.78	387.74	1.13	-111.65
CNC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000439214	0	39	-2.0	-110.03	372.74	0.82	-109.21
CNC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000439215	0	42	-2.0	-107.65	384.10	0.92	-106.73
CNC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000439216	0	39	-2.0	-103.52	373.36	0.90	-102.62
CNC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000439217	0	41	-2.0	-110.60	378.08	-0.16	-110.76
CCN(C1=CC=C(Cl)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000439253	0	35	-2.0	-103.02	335.18	6.59	-96.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)C=C1F	REAL300000439278	1	36	-2.0	-112.08	339.30	4.45	-107.63
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2F)=C1	REAL300000439284	1	32	-2.0	-104.17	316.63	4.72	-99.45
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2F)=C1	REAL300000439286	1	29	-2.0	-101.79	304.34	3.67	-98.12
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2F)=C1	REAL300000439291	1	32	-2.0	-98.30	320.29	4.35	-93.95
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2F)C=C(C(=O)[O-])O1	REAL300000439296	1	32	-2.0	-102.14	314.16	3.79	-98.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2F)S1	REAL300000439302	1	29	-2.0	-97.64	303.42	3.77	-93.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2F)=C1F	REAL300000439304	1	35	-2.0	-112.55	332.48	5.43	-107.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2F)C(F)=C1	REAL300000439305	1	32	-2.0	-99.55	312.20	4.81	-94.74
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC(F)F)C=C2F)=C1	REAL300000439308	0	33	-2.0	-107.78	315.28	3.20	-104.58
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2F)=C1	REAL300000439314	1	32	-2.0	-102.36	318.47	4.86	-97.50
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2F)C=C1C(=O)[O-]	REAL300000439316	1	35	-2.0	-107.66	336.47	5.34	-102.32
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2F)=C1	REAL300000439317	1	35	-2.0	-113.70	336.20	5.34	-108.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2F)=C1F	REAL300000439322	1	32	-2.0	-112.95	314.79	4.68	-108.27
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2F)=C1	REAL300000439324	0	31	-2.0	-110.85	302.94	2.87	-107.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2F)=C(Cl)O1	REAL300000439326	1	29	-2.0	-95.19	311.26	3.63	-91.56
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2F)C=C(C(=O)[O-])O1	REAL300000439327	1	35	-2.0	-102.06	333.29	4.64	-97.42
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC(F)=CC=C32)=CC(C(=O)[O-])=C1	REAL300000439356	0	35	-2.0	-108.93	327.87	7.61	-101.32
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC(F)=CC=C32)=C1	REAL300000439385	0	33	-2.0	-106.00	301.08	5.71	-100.29
CC1=CC=C(C(O)C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000439423	1	44	-2.0	-113.87	390.15	5.27	-108.60
CC1=CC=C(C(O)C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000439424	0	43	-2.0	-110.82	386.35	3.38	-107.44
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1	REAL300000439429	0	42	-2.0	-108.57	381.08	4.68	-103.89
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1	REAL300000439430	0	39	-2.0	-105.91	368.80	3.63	-102.28
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300000439432	1	43	-2.0	-109.94	382.26	3.97	-105.97
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=C1	REAL300000439433	0	42	-2.0	-102.14	384.73	4.30	-97.84
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1	REAL300000439434	1	39	-2.0	-107.31	367.26	3.65	-103.66
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=C1	REAL300000439435	0	42	-2.0	-105.72	378.62	3.75	-101.97
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300000439436	1	42	-2.0	-108.75	385.31	4.50	-104.25
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1	REAL300000439438	0	39	-2.0	-100.99	367.88	3.74	-97.25
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000439439	1	42	-2.0	-102.51	382.03	4.67	-97.84
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300000439440	0	42	-2.0	-98.65	381.07	4.69	-93.96
CNC(=O)COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1	REAL300000439441	0	43	-2.0	-112.24	379.46	3.19	-109.05
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1	REAL300000439441	1	43	-2.0	-111.30	385.33	2.32	-108.98
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC(=O)NC)C=C2C)C=C1C(=O)[O-]	REAL300000439445	1	46	-2.0	-111.24	403.63	4.84	-106.40
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1	REAL300000439447	0	42	-2.0	-115.46	379.25	4.64	-110.82
CNC(=O)COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1	REAL300000439448	0	41	-2.0	-109.07	371.83	2.73	-106.34
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC(=O)NC)C=C2C)C=C(C(=O)[O-])O1	REAL300000439449	0	45	-2.0	-105.48	397.74	4.60	-100.88
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000439450	0	35	-2.0	-80.97	337.93	2.11	-78.86
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000439451	0	28	-2.0	-95.69	286.01	3.55	-92.14
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439452	0	36	-2.0	-97.47	341.09	4.61	-92.86
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=N1	REAL300000439453	0	28	-2.0	-93.57	297.90	4.24	-89.33
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000439454	0	28	-2.0	-86.30	281.45	3.53	-82.77
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000439455	0	28	-2.0	-97.54	281.48	3.51	-94.03
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439456	0	32	-2.0	-103.28	309.62	3.32	-99.96
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000439457	0	28	-2.0	-93.21	297.72	4.00	-89.21
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000439458	0	32	-2.0	-86.62	312.92	4.82	-81.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000439459	0	31	-2.0	-99.82	301.54	4.16	-95.66
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000439460	0	28	-2.0	-93.98	294.55	4.08	-89.90
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000439461	0	28	-2.0	-93.70	293.98	3.90	-89.80
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=N1	REAL300000439462	0	28	-2.0	-89.90	307.05	4.47	-85.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)=C1C	REAL300000439463	0	34	-2.0	-101.44	313.87	4.83	-96.61
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000439464	0	28	-2.0	-95.07	286.95	3.58	-91.49
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000439465	0	34	-2.0	-85.73	325.04	5.10	-80.63
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000439466	0	25	-2.0	-92.33	274.66	2.55	-89.78
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439467	0	31	-2.0	-99.76	296.91	4.30	-95.46
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000439468	0	32	-2.0	-85.16	312.54	3.81	-81.35
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C=N1	REAL300000439469	0	39	-2.0	-81.65	358.31	4.58	-77.07
N#CC1=CC=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=N1	REAL300000439470	0	25	-2.0	-90.04	291.66	3.31	-86.73
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000439471	0	29	-2.0	-96.03	288.12	2.87	-93.16
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439472	1	32	-2.0	-100.22	305.69	2.33	-97.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)=C1	REAL300000439473	0	28	-2.0	-88.75	290.58	3.20	-85.55
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000439474	0	34	-2.0	-101.03	312.54	4.85	-96.18
N#CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000439475	0	25	-2.0	-93.72	273.12	2.55	-91.17
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000439476	0	36	-2.0	-98.09	339.80	3.32	-94.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000439477	0	32	-2.0	-103.45	308.75	3.59	-99.86
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000439478	0	38	-2.0	-102.93	336.72	6.15	-96.78
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439479	0	37	-2.0	-101.51	335.38	5.53	-95.98
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439480	0	34	-2.0	-98.67	311.60	5.25	-93.42
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439481	0	35	-2.0	-102.60	331.91	4.08	-98.52
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000439482	0	30	-3.0	-169.92	309.88	4.09	-165.83
N#CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000439482	1	31	-2.0	-110.95	316.45	3.98	-106.97
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000439483	0	35	-2.0	-103.25	325.72	5.42	-97.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C(C(=O)[O-])O1	REAL300000439484	0	28	-2.0	-93.07	284.48	2.66	-90.41
N#CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000439485	0	34	-2.0	-102.21	323.64	3.29	-98.92
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000439487	0	36	-2.0	-86.12	335.11	4.12	-82.00
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000439488	0	28	-2.0	-87.73	309.15	4.36	-83.37
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000439489	0	28	-2.0	-91.34	299.07	4.11	-87.23
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000439490	0	32	-2.0	-83.99	328.57	4.34	-79.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)=CC=C1OCC(=O)[O-]	REAL300000439491	0	35	-2.0	-85.56	332.63	4.50	-81.06
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=N1	REAL300000439492	0	38	-2.0	-85.19	361.21	4.76	-80.43
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439493	0	31	-2.0	-90.71	302.18	4.33	-86.38
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000439494	0	41	-2.0	-85.92	375.06	5.43	-80.49
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000439495	0	32	-2.0	-85.17	318.77	3.86	-81.31
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000439496	0	38	-2.0	-84.78	371.02	5.25	-79.53
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000439497	0	35	-2.0	-104.09	330.60	4.50	-99.59
CC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C(C(=O)[O-])S1	REAL300000439498	0	28	-2.0	-96.13	291.17	3.40	-92.73
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000439499	0	28	-2.0	-87.98	309.69	4.54	-83.44
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000439500	0	28	-2.0	-83.93	294.53	4.07	-79.86
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=N1	REAL300000439501	0	28	-2.0	-83.69	297.88	4.24	-79.45
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000439502	0	28	-2.0	-86.23	285.99	3.56	-82.67
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000439503	0	25	-2.0	-87.69	273.74	2.64	-85.05
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000439504	0	28	-2.0	-88.95	287.88	3.59	-85.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)=C1F	REAL300000439505	0	31	-2.0	-96.38	307.22	4.22	-92.16
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000439506	0	32	-2.0	-88.86	321.79	4.14	-84.72
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000439507	0	28	-2.0	-85.21	286.93	3.58	-81.63
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000439508	0	28	-2.0	-84.01	293.98	3.92	-80.09
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439509	0	31	-2.0	-92.26	310.92	4.71	-87.55
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439510	0	31	-2.0	-87.62	312.30	4.80	-82.82
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000439511	0	36	-2.0	-83.73	345.22	4.93	-78.80
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000439512	0	28	-2.0	-83.53	297.69	4.00	-79.53
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000439513	0	28	-2.0	-87.80	292.29	3.61	-84.19
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000439514	0	30	-2.0	-83.69	309.68	4.18	-79.51
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000439515	0	29	-2.0	-98.85	291.19	1.24	-97.61
N#CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=N1	REAL300000439515	1	29	-2.0	-102.24	290.36	2.03	-100.21
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000439516	0	31	-2.0	-92.64	319.31	4.67	-87.97
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000439517	0	31	-2.0	-89.99	303.64	4.30	-85.69
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000439518	0	28	-2.0	-88.98	302.18	4.04	-84.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439519	0	31	-2.0	-93.49	291.54	4.16	-89.33
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439520	0	31	-2.0	-92.73	314.95	4.80	-87.93
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)=CC(C(=O)[O-])=C1F	REAL300000439521	0	31	-2.0	-96.90	306.31	4.17	-92.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439522	0	31	-2.0	-87.11	296.89	4.28	-82.83
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)=CC(C(=O)[O-])=C1C	REAL300000439523	0	34	-2.0	-101.54	318.27	4.69	-96.85
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000439524	0	30	-2.0	-97.42	308.03	4.60	-92.82
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000439525	0	28	-2.0	-87.02	293.23	3.65	-83.37
N#CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=N1	REAL300000439526	0	25	-2.0	-85.67	294.06	3.21	-82.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C(C)=C1C(=O)[O-]	REAL300000439527	0	34	-2.0	-98.81	320.17	4.35	-94.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000439528	0	31	-2.0	-96.09	302.95	4.12	-91.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)=C1Cl	REAL300000439529	0	31	-2.0	-95.74	313.25	4.66	-91.08
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000439531	0	34	-2.0	-99.10	315.71	4.70	-94.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C1CC(=O)[O-]	REAL300000439532	0	35	-2.0	-100.08	331.94	3.64	-96.44
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439533	0	31	-2.0	-87.27	307.74	4.70	-82.57
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000439534	0	31	-2.0	-83.47	311.59	4.34	-79.13
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000439535	0	31	-2.0	-95.44	312.70	4.48	-90.96
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000439536	0	28	-2.0	-90.55	302.76	4.14	-86.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)=C1Br	REAL300000439537	0	31	-2.0	-95.43	316.07	4.81	-90.62
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000439538	0	32	-2.0	-97.33	309.50	3.73	-93.60
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C(C)=C1CC(=O)[O-]	REAL300000439539	1	40	-2.0	-96.75	346.62	6.39	-90.36
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000439540	0	28	-2.0	-86.27	307.05	4.08	-82.19
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=N1	REAL300000439541	0	32	-2.0	-85.29	326.17	3.80	-81.49
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000439542	0	31	-2.0	-92.16	315.21	4.58	-87.58
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C(C(=O)[O-])S1	REAL300000439543	0	37	-2.0	-96.35	330.94	5.65	-90.70
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000439544	0	32	-2.0	-99.75	321.80	4.15	-95.60
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)=CC=C1C(=O)[O-]	REAL300000439545	0	31	-2.0	-86.47	297.48	4.07	-82.40
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000439546	0	33	-2.0	-90.01	324.74	5.71	-84.30
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439547	0	31	-2.0	-97.75	301.44	4.33	-93.42
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000439548	0	30	-2.0	-103.95	305.22	5.36	-98.59
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000439549	0	28	-2.0	-100.60	285.13	3.55	-97.05
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000439550	0	31	-2.0	-90.56	306.41	4.19	-86.37
N#CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000439551	0	34	-2.0	-105.28	322.52	5.64	-99.64
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000439552	0	27	-2.0	-94.90	277.69	1.64	-93.26
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C#N)N=C1	REAL300000439553	0	32	-2.0	-90.15	309.68	3.31	-86.84
N#CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000439554	0	25	-2.0	-86.76	281.62	2.50	-84.26
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000439555	0	32	-2.0	-93.40	325.25	4.07	-89.33
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)=C1	REAL300000439556	0	31	-2.0	-88.92	324.82	0.55	-88.37
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000439557	0	35	-2.0	-93.08	327.60	5.40	-87.68
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000439558	0	35	-2.0	-94.37	326.91	5.40	-88.97
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)N=C2)C=C(C(=O)[O-])O1	REAL300000439559	0	31	-2.0	-93.21	303.61	3.51	-89.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCCC3=CC=CC=C3)=C2)C=C1	REAL300000439560	1	45	-2.0	-96.46	398.41	9.06	-87.40
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OCCC3=CC=CC=C3)=C2)=C1	REAL300000439561	1	45	-2.0	-109.05	398.42	9.05	-100.00
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OCCC3=CC=CC=C3)=C2)=C1	REAL300000439562	0	44	-2.0	-105.51	395.41	7.11	-98.40
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000439563	0	41	-2.0	-88.34	371.36	2.63	-85.71
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000439564	0	34	-2.0	-104.24	319.43	4.07	-100.17
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000439565	0	42	-2.0	-105.50	374.52	5.13	-100.37
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000439566	0	34	-2.0	-101.71	331.32	4.75	-96.96
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000439567	0	34	-2.0	-94.41	314.88	4.05	-90.36
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000439568	0	34	-2.0	-106.54	314.90	4.04	-102.50
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000439569	0	38	-2.0	-112.01	343.04	3.85	-108.16
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000439570	0	34	-2.0	-102.17	331.14	4.53	-97.64
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000439571	0	38	-2.0	-94.17	346.35	5.34	-88.83
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000439572	0	37	-2.0	-107.67	330.92	4.58	-103.09
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000439573	0	34	-2.0	-102.37	327.97	4.62	-97.75
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000439574	0	34	-2.0	-102.55	327.41	4.44	-98.11
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000439575	0	34	-2.0	-98.05	340.47	4.99	-93.06
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000439576	0	40	-2.0	-109.37	348.01	5.37	-104.00
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000439577	0	34	-2.0	-103.78	320.38	4.11	-99.67
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000439578	0	40	-2.0	-93.45	358.47	5.62	-87.83
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000439579	0	31	-2.0	-100.89	308.09	3.06	-97.83
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000439580	0	37	-2.0	-107.63	330.33	4.83	-102.80
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000439581	0	38	-2.0	-92.89	345.97	4.33	-88.56
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000439582	0	45	-2.0	-89.59	391.74	5.09	-84.50
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000439583	0	31	-2.0	-97.94	325.11	3.83	-94.11
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000439584	0	35	-2.0	-105.12	321.55	3.39	-101.73
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000439585	0	38	-2.0	-108.09	338.68	2.87	-105.22
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000439586	0	34	-2.0	-97.06	324.04	3.72	-93.34
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000439587	0	40	-2.0	-109.95	350.35	5.47	-104.48
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000439588	0	31	-2.0	-102.35	306.55	3.08	-99.27
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000439589	0	42	-2.0	-107.09	373.23	3.85	-103.24
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000439590	0	38	-2.0	-112.52	342.18	4.11	-108.41
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000439591	0	44	-2.0	-111.16	370.13	6.67	-104.49
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000439592	0	43	-2.0	-109.66	368.80	6.05	-103.61
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000439593	0	40	-2.0	-105.71	342.15	5.68	-100.03
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000439594	0	41	-2.0	-112.46	365.33	4.61	-107.85
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000439595	0	36	-3.0	-180.76	343.30	4.61	-176.15
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000439596	0	41	-2.0	-111.68	359.15	5.94	-105.74
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000439597	0	34	-2.0	-100.67	317.90	3.18	-97.49
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000439598	0	40	-2.0	-111.45	357.06	3.82	-107.63
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000439599	0	38	-2.0	-107.44	343.82	3.15	-104.29
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000439600	0	42	-2.0	-93.44	367.82	4.64	-88.80
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000439601	0	34	-2.0	-96.38	342.57	4.89	-91.49
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000439602	0	34	-2.0	-99.23	332.50	4.63	-94.60
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000439603	0	38	-2.0	-91.48	362.00	4.87	-86.61
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000439604	0	41	-2.0	-93.32	366.05	5.03	-88.29
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000439605	0	44	-2.0	-92.37	394.64	5.30	-87.07
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000439606	0	37	-2.0	-98.22	335.61	4.86	-93.36
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000439607	0	47	-2.0	-93.52	408.49	5.97	-87.55
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000439608	0	38	-2.0	-92.43	352.19	4.39	-88.04
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2CC)C=C1C(=O)[O-]	REAL300000439609	0	41	-2.0	-113.20	364.03	5.02	-108.18
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000439610	0	34	-2.0	-104.15	323.53	3.95	-100.20
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000439611	0	34	-2.0	-96.17	343.13	5.05	-91.12
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000439612	0	34	-2.0	-92.01	327.95	4.61	-87.40
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000439613	0	34	-2.0	-91.54	331.30	4.74	-86.80
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000439614	0	34	-2.0	-93.97	319.44	4.08	-89.89
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000439615	0	31	-2.0	-95.95	307.16	3.16	-92.79
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000439616	0	34	-2.0	-97.57	321.31	4.11	-93.46
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000439617	0	37	-2.0	-105.12	340.65	4.75	-100.37
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000439618	0	38	-2.0	-96.67	355.21	4.66	-92.01
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000439619	0	34	-2.0	-93.73	320.37	4.12	-89.61
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000439620	0	34	-2.0	-91.99	327.41	4.45	-87.54
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000439621	0	37	-2.0	-99.85	344.34	5.25	-94.60
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000439622	0	42	-2.0	-91.04	378.63	5.46	-85.58
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000439623	0	34	-2.0	-91.57	331.14	4.54	-87.03
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000439624	0	34	-2.0	-95.93	325.72	4.14	-91.79
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000439625	0	36	-2.0	-91.80	343.09	4.71	-87.09
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000439626	0	35	-2.0	-106.34	324.62	1.75	-104.59
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000439627	0	37	-2.0	-97.96	337.07	4.82	-93.14
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000439628	0	34	-2.0	-97.29	335.61	4.58	-92.71
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000439629	0	37	-2.0	-102.59	324.94	4.67	-97.92
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000439630	0	37	-2.0	-105.55	339.73	4.70	-100.85
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000439631	0	37	-2.0	-94.56	330.31	4.82	-89.74
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000439632	0	40	-2.0	-109.64	347.78	5.11	-104.53
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000439633	0	36	-2.0	-105.10	341.46	5.14	-99.96
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000439634	0	34	-2.0	-95.49	326.64	4.17	-91.32
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000439635	0	31	-2.0	-93.60	327.48	3.72	-89.88
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000439636	0	40	-2.0	-106.95	348.43	5.45	-101.50
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000439637	0	37	-2.0	-105.99	340.21	4.74	-101.25
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000439638	0	37	-2.0	-104.07	346.68	5.18	-98.89
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000439639	0	37	-2.0	-111.15	339.95	4.74	-106.41
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000439640	0	40	-2.0	-108.43	349.14	5.23	-103.20
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000439641	0	41	-2.0	-108.96	365.36	4.18	-104.78
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000439642	0	37	-2.0	-95.98	341.16	5.22	-90.76
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000439643	0	37	-2.0	-91.03	345.02	4.85	-86.18
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000439644	0	37	-2.0	-104.28	346.12	5.00	-99.28
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000439645	0	34	-2.0	-99.45	336.19	4.66	-94.79
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000439646	0	38	-2.0	-106.29	342.92	4.26	-102.03
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000439647	0	46	-2.0	-106.68	380.05	6.90	-99.78
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000439648	0	34	-2.0	-94.35	340.51	4.60	-89.75
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000439649	0	38	-2.0	-93.49	359.60	4.34	-89.15
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000439650	0	37	-2.0	-100.01	344.76	5.01	-95.00
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000439651	0	43	-2.0	-103.70	362.69	6.12	-97.58
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000439652	0	38	-2.0	-107.98	355.23	4.67	-103.31
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000439653	0	37	-2.0	-94.46	330.91	4.59	-89.87
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000439654	0	39	-2.0	-98.59	358.15	6.25	-92.34
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000439655	0	37	-2.0	-105.15	334.85	4.86	-100.29
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000439656	0	36	-2.0	-113.04	338.64	5.91	-107.13
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000439657	0	34	-2.0	-110.42	318.54	4.07	-106.35
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000439658	0	37	-2.0	-98.33	336.06	4.62	-93.71
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000439659	0	40	-2.0	-114.73	355.94	6.16	-108.57
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000439660	0	33	-2.0	-103.73	311.89	2.10	-101.63
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000439661	0	38	-2.0	-98.50	343.11	3.84	-94.66
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000439662	0	31	-2.0	-94.61	315.00	3.02	-91.59
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000439663	0	38	-2.0	-102.08	358.68	4.59	-97.49
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000439664	0	37	-2.0	-97.72	358.23	1.08	-96.64
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000439665	0	41	-2.0	-100.98	361.02	5.92	-95.06
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000439666	0	41	-2.0	-103.42	358.99	5.90	-97.52
CCC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000439667	0	37	-2.0	-100.50	337.03	4.03	-96.47
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000439668	1	37	-2.0	-100.91	337.42	4.01	-96.90
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300000439669	1	37	-2.0	-91.68	332.87	3.99	-87.69
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000439670	1	37	-2.0	-103.54	332.89	3.98	-99.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OCC(=O)N2C	REAL300000439671	0	41	-2.0	-108.50	361.93	3.80	-104.70
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C21	REAL300000439672	1	41	-2.0	-91.34	364.34	5.27	-86.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)C=C1C(=O)[O-]	REAL300000439673	1	40	-2.0	-105.95	352.96	4.62	-101.33
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C21	REAL300000439674	0	37	-2.0	-99.03	346.85	4.58	-94.45
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000439675	1	37	-2.0	-99.13	345.39	4.37	-94.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)=C1C	REAL300000439676	1	43	-2.0	-106.42	366.46	5.36	-101.06
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C21	REAL300000439677	0	37	-2.0	-100.32	339.26	4.07	-96.25
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300000439678	1	43	-2.0	-90.53	376.46	5.57	-84.96
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000439679	0	34	-2.0	-98.03	326.97	3.02	-95.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OCC(=O)N2C	REAL300000439680	1	40	-2.0	-104.33	349.21	4.80	-99.53
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=CC=C21	REAL300000439681	1	41	-2.0	-90.01	363.96	4.26	-85.75
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)C=C1C(=O)[O-]	REAL300000439682	0	38	-2.0	-102.07	339.53	3.32	-98.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)=C1	REAL300000439684	0	37	-2.0	-94.16	342.90	3.69	-90.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)C=C1C(=O)[O-]	REAL300000439685	1	43	-2.0	-105.76	364.85	5.35	-100.41
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000439686	0	34	-2.0	-99.12	324.54	3.01	-96.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)C=C1C(=O)[O-]	REAL300000439687	1	41	-2.0	-108.86	360.17	4.05	-104.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OCC(=O)N2C	REAL300000439688	1	43	-2.0	-102.93	363.95	5.73	-97.20
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)C=C(C(=O)[O-])O1	REAL300000439689	0	37	-2.0	-97.86	336.79	3.14	-94.72
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)=C1	REAL300000439690	0	41	-2.0	-104.30	362.77	3.09	-101.21
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OCC(=O)N2C	REAL300000439691	1	40	-2.0	-95.28	354.49	4.82	-90.46
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)C=C(C(=O)[O-])S1	REAL300000439692	0	37	-2.0	-101.03	342.38	3.91	-97.12
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C21	REAL300000439693	0	37	-2.0	-89.26	346.84	4.57	-84.69
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000439694	1	37	-2.0	-91.40	337.41	4.02	-87.38
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000439695	0	34	-2.0	-92.98	326.05	3.13	-89.85
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000439696	1	37	-2.0	-94.63	339.29	4.04	-90.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)=C1F	REAL300000439697	0	40	-2.0	-101.69	359.55	4.71	-96.98
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300000439698	0	37	-2.0	-90.80	339.25	4.08	-86.72
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000439699	1	37	-2.0	-89.35	345.38	4.38	-84.97
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000439700	1	37	-2.0	-92.82	343.70	4.07	-88.75
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C21	REAL300000439701	0	38	-2.0	-103.16	343.50	1.71	-101.45
CN1C(=O)COC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C21	REAL300000439701	1	38	-2.0	-105.07	342.69	2.54	-102.53
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C21	REAL300000439702	1	40	-2.0	-95.58	355.06	4.76	-90.82
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OCC(=O)N2C	REAL300000439703	1	40	-2.0	-99.73	343.33	4.67	-95.06
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)=CC(C(=O)[O-])=C1F	REAL300000439704	1	40	-2.0	-102.71	357.74	4.63	-98.08
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)=CC(C(=O)[O-])=C1C	REAL300000439706	1	43	-2.0	-105.98	365.77	5.05	-100.93
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C21	REAL300000439707	0	37	-2.0	-92.31	345.54	4.13	-88.18
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)C=C1C(=O)[O-]	REAL300000439709	0	40	-2.0	-102.58	359.10	4.70	-97.88
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)=C1	REAL300000439710	0	40	-2.0	-107.87	358.82	4.70	-103.17
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)C=C1C(=O)[O-]	REAL300000439711	1	43	-2.0	-104.72	367.13	5.17	-99.55
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)C=C1C(=O)[O-]	REAL300000439712	0	41	-2.0	-103.29	360.90	4.19	-99.10
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)=CC=C1C(=O)[O-]	REAL300000439713	1	40	-2.0	-91.70	348.89	4.52	-87.18
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OCC(=O)N2C	REAL300000439714	1	40	-2.0	-102.35	353.32	4.85	-97.50
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000439715	0	37	-2.0	-107.18	337.44	4.04	-103.14
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)C=C1C(=O)[O-]	REAL300000439716	1	40	-2.0	-96.03	357.83	4.66	-91.37
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000439717	0	36	-2.0	-100.24	330.77	2.06	-98.18
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)OCC(=O)N2C	REAL300000439718	0	41	-2.0	-95.58	361.99	3.80	-91.78
CN1C(=O)COC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C21	REAL300000439719	0	34	-2.0	-91.82	333.93	2.98	-88.84
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OCC(=O)N3C)C=C(C(=O)[O-])O1	REAL300000439720	0	40	-2.0	-97.72	355.91	3.99	-93.73
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000439721	1	41	-2.0	-108.18	362.56	4.54	-103.64
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000439722	1	41	-2.0	-98.49	358.01	4.52	-93.97
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000439723	1	41	-2.0	-110.93	358.03	4.51	-106.42
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000439724	1	44	-2.0	-111.82	373.85	5.04	-106.78
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000439725	0	41	-2.0	-107.91	363.51	4.58	-103.33
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000439726	0	38	-2.0	-105.21	351.21	3.54	-101.67
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000439727	1	44	-2.0	-111.60	373.47	5.29	-106.31
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000439728	0	42	-2.0	-109.33	364.68	3.86	-105.47
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(N3CCNC3=O)=CC=C2C)=C1	REAL300000439729	0	41	-2.0	-101.20	367.16	4.19	-97.01
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000439730	0	38	-2.0	-106.38	349.68	3.55	-102.83
CC1=C(S(=O)(=O)[N-]C2=CC(N3CCNC3=O)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000439731	0	41	-2.0	-104.84	361.04	3.65	-101.19
CC1=C(S(=O)(=O)[N-]C2=CC(N3CCNC3=O)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000439732	0	41	-2.0	-108.20	366.66	4.40	-103.80
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000439733	1	41	-2.0	-98.03	362.54	4.55	-93.48
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000439734	0	38	-2.0	-100.03	350.28	3.64	-96.39
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000439735	1	41	-2.0	-101.58	364.45	4.58	-97.00
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000439736	0	41	-2.0	-97.92	363.49	4.58	-93.34
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000439737	0	42	-2.0	-110.53	367.74	2.23	-108.30
CC1=CC=C(N2CCNC2=O)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000439737	1	42	-2.0	-109.54	365.20	3.02	-106.52
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000439738	1	44	-2.0	-101.64	380.21	5.30	-96.34
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000439739	1	44	-2.0	-106.94	368.07	5.14	-101.80
CCN1C=C(S(=O)(=O)[N-]C2=CC(N3CCNC3=O)=CC=C2C)C=C1C(=O)[O-]	REAL300000439741	0	45	-2.0	-110.56	386.05	4.72	-105.84
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000439742	1	44	-2.0	-98.45	373.83	5.05	-93.40
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000439743	0	41	-2.0	-114.79	361.67	4.53	-110.26
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000439744	0	40	-2.0	-108.34	354.25	2.64	-105.70
CC1=CC=C(N2CCNC2=O)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000439745	0	38	-2.0	-98.74	358.14	3.49	-95.25
CCC1=C(S(=O)(=O)[N-]C2=CC(N3CCNC3=O)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000439746	0	44	-2.0	-104.64	378.15	4.43	-100.21
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CC=C1N1CCNC1=O	REAL300000439747	1	41	-2.0	-112.45	367.04	5.17	-107.28
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1N1CCNC1=O	REAL300000439748	1	41	-2.0	-104.09	362.49	5.15	-98.94
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1N1CCNC1=O	REAL300000439749	1	41	-2.0	-114.77	363.06	4.99	-109.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2C)C=C1C(=O)[O-]	REAL300000439750	1	44	-2.0	-119.64	378.52	5.67	-113.97
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CC=C1N1CCNC1=O	REAL300000439751	0	41	-2.0	-112.52	368.55	5.05	-107.47
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC=C1N1CCNC1=O	REAL300000439752	0	38	-2.0	-109.80	355.64	4.15	-105.65
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCNC2=O)=C1C	REAL300000439753	1	44	-2.0	-115.75	377.88	5.92	-109.83
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC=C1N1CCNC1=O	REAL300000439754	0	42	-2.0	-113.80	369.15	4.49	-109.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2C)=C1	REAL300000439755	0	41	-2.0	-107.59	371.56	4.82	-102.77
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1N1CCNC1=O	REAL300000439756	0	38	-2.0	-110.72	354.71	4.02	-106.70
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2C)C=C(C(=O)[O-])O1	REAL300000439757	0	41	-2.0	-109.15	365.46	4.27	-104.88
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2C)C=C(C(=O)[O-])S1	REAL300000439758	1	41	-2.0	-112.21	372.15	5.02	-107.19
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC=C1N1CCNC1=O	REAL300000439759	1	41	-2.0	-103.81	367.02	5.18	-98.63
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC=C1N1CCNC1=O	REAL300000439760	0	38	-2.0	-106.29	354.72	4.27	-102.02
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC=C1N1CCNC1=O	REAL300000439761	1	41	-2.0	-108.52	369.47	5.06	-103.46
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC=C1N1CCNC1=O	REAL300000439762	0	41	-2.0	-103.59	368.54	5.06	-98.53
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CC=C1N1CCNC1=O	REAL300000439763	0	42	-2.0	-114.46	372.79	2.69	-111.77
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC=C1N1CCNC1=O	REAL300000439763	1	42	-2.0	-121.63	366.13	3.69	-117.94
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CC=C1N1CCNC1=O	REAL300000439764	1	44	-2.0	-108.46	384.68	5.91	-102.55
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=CC=C1N1CCNC1=O	REAL300000439765	1	44	-2.0	-113.93	373.11	5.63	-108.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2C)C=C1C(=O)[O-]	REAL300000439767	0	45	-2.0	-115.01	390.45	5.35	-109.66
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2C)=CC=C1C(=O)[O-]	REAL300000439768	1	44	-2.0	-104.10	378.51	5.68	-98.42
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CC=C1N1CCNC1=O	REAL300000439769	0	41	-2.0	-122.86	366.09	5.16	-117.70
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1N1CCNC1=O	REAL300000439770	0	40	-2.0	-113.30	359.44	3.20	-110.10
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC=C1N1CCNC1=O	REAL300000439771	0	38	-2.0	-103.34	363.18	3.97	-99.37
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCNC3=O)=C2C)C=C(C(=O)[O-])O1	REAL300000439772	0	44	-2.0	-108.69	384.57	5.12	-103.57
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000439775	1	35	-2.0	-110.72	321.71	4.75	-105.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OCCC(=O)C2=C1	REAL300000439776	0	39	-2.0	-115.43	349.85	4.54	-110.89
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000439779	0	35	-2.0	-105.66	334.78	5.32	-100.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=CC=C1Cl	REAL300000439780	1	35	-2.0	-106.37	334.23	5.14	-101.23
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000439782	0	35	-2.0	-107.39	327.19	4.81	-102.58
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)C=C1	REAL300000439783	1	41	-2.0	-96.65	365.25	6.34	-90.31
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000439784	0	32	-2.0	-105.03	314.89	3.76	-101.27
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000439787	1	36	-2.0	-109.23	328.36	4.10	-105.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000439789	0	35	-2.0	-101.11	330.83	4.43	-96.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=CS1	REAL300000439791	1	32	-2.0	-106.30	313.36	3.78	-102.52
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OCCC(=O)C2=C1	REAL300000439793	1	44	-2.0	-112.90	375.61	6.75	-106.15
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OCCC(=O)C2=C1	REAL300000439795	0	42	-2.0	-116.81	372.14	5.31	-111.50
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3OCCC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000439796	0	38	-2.0	-111.63	356.64	5.18	-106.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000439796	1	37	-3.0	-186.86	350.11	5.31	-181.55
CC1=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000439798	0	35	-2.0	-104.18	324.72	3.88	-100.30
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000439799	0	39	-2.0	-111.98	350.69	3.83	-108.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C(Cl)C=C1F	REAL300000439800	0	35	-2.0	-102.42	339.30	5.33	-97.09
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OCCC(=O)C2=C1	REAL300000439802	1	38	-2.0	-101.45	342.43	5.57	-95.88
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)C=C1F	REAL300000439803	1	39	-2.0	-95.85	359.00	5.08	-90.77
CC1=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000439805	1	35	-2.0	-107.31	330.31	4.63	-102.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)C(Cl)=C1	REAL300000439806	0	35	-2.0	-95.95	334.76	5.31	-90.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)C=C1F	REAL300000439807	1	35	-2.0	-97.80	326.22	4.78	-93.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)S1	REAL300000439808	0	32	-2.0	-99.96	313.98	3.87	-96.09
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000439809	1	35	-2.0	-101.59	328.11	4.81	-96.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C1F	REAL300000439810	0	38	-2.0	-108.82	347.46	5.44	-103.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)C(F)=C1	REAL300000439811	0	35	-2.0	-97.84	327.17	4.82	-93.02
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OCCC(=O)C2=C1	REAL300000439813	1	38	-2.0	-103.07	351.17	5.95	-97.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=CC(F)=C1F	REAL300000439814	1	35	-2.0	-99.62	332.53	4.84	-94.78
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000439815	1	37	-2.0	-95.59	349.90	5.41	-90.18
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000439816	0	36	-2.0	-109.33	331.42	2.46	-106.87
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000439816	1	36	-2.0	-106.73	320.44	3.35	-103.38
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)C=C1	REAL300000439817	1	38	-2.0	-101.10	343.85	5.53	-95.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=CC(Cl)=C1F	REAL300000439818	1	35	-2.0	-101.01	342.42	5.28	-95.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=CC=C1[N+](=O)[O-]	REAL300000439823	0	37	-2.0	-108.91	348.27	5.83	-103.08
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000439824	0	35	-2.0	-99.20	333.46	4.87	-94.33
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000439826	0	38	-2.0	-109.68	347.03	5.45	-104.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C1Cl	REAL300000439827	0	38	-2.0	-107.46	353.49	5.88	-101.58
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000439828	0	38	-2.0	-116.32	346.72	5.44	-110.88
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2OCCC(=O)C2=C1	REAL300000439831	1	38	-2.0	-101.51	352.25	6.00	-95.51
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000439832	1	38	-2.0	-108.44	352.93	5.70	-102.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000439833	1	39	-2.0	-110.50	349.73	4.97	-105.53
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000439834	1	38	-2.0	-105.13	355.45	5.82	-99.31
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=CC=C1	REAL300000439837	0	37	-2.0	-118.74	345.44	6.59	-112.15
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=CC=C1	REAL300000439838	0	35	-2.0	-115.48	325.37	4.78	-110.70
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000439839	1	38	-2.0	-103.31	346.65	5.42	-97.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=CC2=CC=CC=C21	REAL300000439840	1	41	-2.0	-118.85	362.75	6.86	-111.99
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000439841	0	34	-2.0	-108.42	317.93	2.88	-105.54
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OCCC(=O)C2=C1	REAL300000439842	0	39	-2.0	-102.46	349.91	4.54	-97.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)=C(Cl)O1	REAL300000439843	0	32	-2.0	-98.22	321.86	3.72	-94.50
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4OCCC(=O)C4=C3)C=C2)CC1	REAL300000439844	1	42	-2.0	-104.39	367.81	6.64	-97.75
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4OCCC(=O)C4=C3)C=C2C1	REAL300000439845	1	42	-2.0	-109.37	367.15	6.65	-102.72
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OCCC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000439846	0	38	-2.0	-103.86	343.84	4.73	-99.13
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1N1CCNC1=O	REAL300000439849	1	41	-2.0	-120.06	364.55	4.90	-115.16
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1N1CCNC1=O	REAL300000439851	0	41	-2.0	-116.37	370.05	4.99	-111.38
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1N1CCNC1=O	REAL300000439852	0	38	-2.0	-113.72	357.16	4.08	-109.64
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1N1CCNC1=O	REAL300000439853	1	44	-2.0	-120.41	379.41	5.85	-114.56
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1N1CCNC1=O	REAL300000439854	1	42	-2.0	-118.02	371.20	4.27	-113.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(N3CCNC3=O)=C2)=C1	REAL300000439855	0	41	-2.0	-108.10	373.09	4.75	-103.35
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1N1CCNC1=O	REAL300000439856	0	38	-2.0	-112.91	356.20	3.94	-108.97
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(N3CCNC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000439857	0	41	-2.0	-112.82	367.58	4.06	-108.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(N3CCNC3=O)=C2)C=C(C(=O)[O-])S1	REAL300000439858	1	41	-2.0	-116.55	372.58	4.96	-111.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1N1CCNC1=O	REAL300000439859	1	41	-2.0	-105.40	369.08	4.95	-100.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1N1CCNC1=O	REAL300000439860	0	38	-2.0	-106.96	356.84	4.05	-102.91
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1N1CCNC1=O	REAL300000439861	1	41	-2.0	-110.46	370.96	4.98	-105.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1N1CCNC1=O	REAL300000439862	0	41	-2.0	-104.93	370.04	4.99	-99.94
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1N1CCNC1=O	REAL300000439863	0	42	-2.0	-118.81	374.29	2.64	-116.17
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1N1CCNC1=O	REAL300000439863	1	42	-2.0	-109.23	362.71	3.67	-105.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1N1CCNC1=O	REAL300000439864	1	44	-2.0	-109.01	386.72	5.70	-103.31
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1N1CCNC1=O	REAL300000439865	1	44	-2.0	-113.79	374.65	5.56	-108.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(N3CCNC3=O)=C2)C=C1C(=O)[O-]	REAL300000439867	1	45	-2.0	-116.96	392.56	5.12	-111.84
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1N1CCNC1=O	REAL300000439869	0	41	-2.0	-121.47	367.64	5.10	-116.37
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1N1CCNC1=O	REAL300000439870	0	40	-2.0	-115.52	360.97	3.12	-112.40
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1N1CCNC1=O	REAL300000439871	0	38	-2.0	-106.35	364.72	3.90	-102.45
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(N3CCNC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000439872	0	44	-2.0	-112.75	386.71	4.91	-107.84
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000439873	1	43	-2.0	-106.83	382.55	4.21	-102.62
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000439874	1	43	-2.0	-97.50	378.01	4.19	-93.31
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000439875	1	43	-2.0	-110.45	378.01	4.17	-106.28
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000439876	1	46	-2.0	-110.36	394.10	4.69	-105.67
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000439877	0	43	-2.0	-107.07	383.76	4.18	-102.89
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000439878	0	40	-2.0	-104.18	371.47	3.15	-101.03
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000439879	1	46	-2.0	-110.57	393.72	4.90	-105.67
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000439880	0	44	-2.0	-108.68	384.66	3.52	-105.16
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000439881	0	43	-2.0	-101.01	387.40	3.81	-97.20
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000439882	0	40	-2.0	-105.12	369.66	3.21	-101.91
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000439883	0	43	-2.0	-104.23	381.02	3.31	-100.92
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000439884	0	43	-2.0	-107.02	387.98	4.02	-103.00
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000439885	1	43	-2.0	-96.92	382.53	4.22	-92.70
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000439886	0	40	-2.0	-99.76	370.55	3.26	-96.50
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000439887	1	43	-2.0	-100.33	384.43	4.24	-96.09
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000439888	0	43	-2.0	-97.39	383.74	4.20	-93.19
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000439889	0	44	-2.0	-109.69	388.00	1.84	-107.85
CCNC(=O)NC1=CC=C(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000439889	1	44	-2.0	-111.32	385.19	2.68	-108.64
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000439890	1	46	-2.0	-100.79	400.19	4.96	-95.83
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000439891	1	46	-2.0	-105.94	388.46	4.76	-101.18
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000439893	0	47	-2.0	-109.96	405.97	4.37	-105.59
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000439894	1	46	-2.0	-97.90	394.11	4.68	-93.22
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000439895	0	43	-2.0	-114.94	381.94	4.17	-110.77
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000439896	0	42	-2.0	-107.21	375.25	2.19	-105.02
CCNC(=O)NC1=CC=C(C)C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000439897	0	46	-2.0	-103.67	400.41	4.12	-99.55
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000439898	1	42	-2.0	-106.90	355.29	5.71	-101.19
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000439899	1	42	-2.0	-96.86	350.73	5.69	-91.17
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000439900	1	42	-2.0	-109.75	350.76	5.68	-104.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)(C)C	REAL300000439901	0	46	-2.0	-115.57	378.90	5.48	-110.09
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000439902	1	46	-2.0	-96.15	382.21	6.98	-89.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C=C1C(=O)[O-]	REAL300000439903	1	45	-2.0	-111.23	366.86	6.22	-105.01
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000439904	0	42	-2.0	-105.46	363.83	6.27	-99.19
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000439905	1	42	-2.0	-105.40	363.26	6.08	-99.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)=C1C	REAL300000439906	1	48	-2.0	-112.78	383.86	7.01	-105.77
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000439907	0	42	-2.0	-107.52	356.23	5.75	-101.77
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000439908	1	48	-2.0	-95.48	394.32	7.26	-88.22
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000439909	0	39	-2.0	-103.90	343.94	4.70	-99.20
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)(C)C	REAL300000439910	1	45	-2.0	-110.87	366.19	6.46	-104.41
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000439911	1	46	-2.0	-94.83	381.82	5.97	-88.86
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C=C1C(=O)[O-]	REAL300000439912	0	43	-2.0	-107.97	357.40	5.03	-102.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)=C1	REAL300000439914	0	42	-2.0	-99.97	359.89	5.37	-94.60
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C=C1C(=O)[O-]	REAL300000439915	1	48	-2.0	-112.36	382.29	7.00	-105.36
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000439916	0	39	-2.0	-105.32	342.41	4.72	-100.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C=C1C(=O)[O-]	REAL300000439917	1	46	-2.0	-115.56	378.03	5.75	-109.81
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)(C)C	REAL300000439918	1	51	-2.0	-113.02	404.66	7.69	-105.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)(C)C	REAL300000439919	1	48	-2.0	-108.94	379.36	7.43	-101.51
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)(C)C	REAL300000439920	0	49	-2.0	-115.60	401.19	6.24	-109.36
CC(C)(C)NC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000439921	0	45	-2.0	-110.29	378.34	6.24	-104.05
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000439921	1	44	-3.0	-186.24	379.16	6.25	-179.99
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000439922	1	49	-2.0	-115.28	395.00	7.58	-107.70
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C=C(C(=O)[O-])O1	REAL300000439923	0	42	-2.0	-103.59	353.77	4.82	-98.77
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)=C1	REAL300000439924	0	46	-2.0	-110.39	379.74	4.77	-105.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)=CC=C1OCC(=O)[O-]	REAL300000439925	1	49	-2.0	-95.33	401.91	6.67	-88.66
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)(C)C	REAL300000439926	1	45	-2.0	-101.23	371.48	6.50	-94.73
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000439927	1	46	-2.0	-94.15	388.05	6.03	-88.12
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C=C1C(=O)[O-]	REAL300000439928	1	49	-2.0	-116.37	399.89	6.66	-109.71
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C=C(C(=O)[O-])S1	REAL300000439929	0	42	-2.0	-107.23	359.38	5.57	-101.66
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000439930	0	42	-2.0	-94.21	363.81	6.25	-87.96
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000439931	1	42	-2.0	-96.25	355.27	5.72	-90.53
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000439932	0	39	-2.0	-98.74	343.01	4.81	-93.93
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000439933	1	42	-2.0	-100.59	357.16	5.75	-94.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)=C1F	REAL300000439934	0	45	-2.0	-109.02	376.50	6.38	-102.64
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000439935	0	42	-2.0	-96.32	356.22	5.75	-90.57
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000439936	1	42	-2.0	-94.33	363.24	6.08	-88.25
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)(C)C	REAL300000439937	1	45	-2.0	-102.96	380.21	6.88	-96.08
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000439938	1	42	-2.0	-98.40	361.57	5.78	-92.62
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000439939	0	44	-2.0	-94.51	378.94	6.35	-88.16
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000439940	0	43	-2.0	-109.94	360.48	3.39	-106.55
CC(C)(C)NC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000439940	1	43	-2.0	-111.58	355.29	3.78	-107.80
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000439941	1	45	-2.0	-100.85	372.94	6.45	-94.40
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)(C)C	REAL300000439942	1	45	-2.0	-105.37	360.88	6.31	-99.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)=CC(C(=O)[O-])=C1F	REAL300000439943	1	45	-2.0	-108.55	375.59	6.33	-102.22
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)(C)C	REAL300000439944	1	45	-2.0	-96.84	366.17	6.45	-90.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)=CC(C(=O)[O-])=C1C	REAL300000439945	1	48	-2.0	-113.08	383.74	6.76	-106.32
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000439946	0	44	-2.0	-107.40	377.18	6.72	-100.68
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000439947	0	42	-2.0	-98.97	362.49	5.81	-93.16
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C(C)=C1C(=O)[O-]	REAL300000439948	1	48	-2.0	-109.87	384.46	7.10	-102.77
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C=C1C(=O)[O-]	REAL300000439949	0	45	-2.0	-108.65	371.99	6.25	-102.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)=C1Cl	REAL300000439950	0	45	-2.0	-107.41	382.53	6.82	-100.59
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)=C1	REAL300000439951	0	45	-2.0	-114.32	375.79	6.37	-107.95
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C=C1C(=O)[O-]	REAL300000439952	1	48	-2.0	-111.84	384.82	6.87	-104.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C=C1CC(=O)[O-]	REAL300000439953	1	49	-2.0	-111.50	401.22	5.81	-105.69
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)(C)C	REAL300000439954	1	45	-2.0	-98.62	377.16	6.86	-91.76
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)=CC(C(=O)[O-])=C1Cl	REAL300000439955	1	45	-2.0	-107.41	381.98	6.64	-100.77
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C=C1C(=O)[O-]	REAL300000439956	0	46	-2.0	-109.30	378.78	5.89	-103.41
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C=C1C(=O)[O-]	REAL300000439957	1	45	-2.0	-103.07	380.39	6.62	-96.45
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)=CC=C1C(=O)[O-]	REAL300000439958	1	45	-2.0	-98.75	370.82	6.32	-92.43
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)(C)C	REAL300000439959	1	45	-2.0	-107.98	370.71	6.50	-101.48
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000439960	0	44	-2.0	-116.24	374.51	7.54	-108.70
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000439961	0	42	-2.0	-113.48	354.40	5.71	-107.77
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C=C1C(=O)[O-]	REAL300000439962	1	45	-2.0	-101.29	371.69	6.23	-95.06
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000439963	1	48	-2.0	-118.19	391.98	7.81	-110.38
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000439964	0	41	-2.0	-107.69	346.97	3.80	-103.89
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)(C)C	REAL300000439965	0	46	-2.0	-101.11	378.96	5.48	-95.63
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000439966	0	39	-2.0	-97.42	350.86	4.65	-92.77
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000439967	1	49	-2.0	-103.60	396.88	7.56	-96.04
CC(C)(C)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000439968	1	49	-2.0	-105.84	394.84	7.54	-98.30
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)(C)C)C=C(C(=O)[O-])O1	REAL300000439969	0	45	-2.0	-103.39	372.89	5.67	-97.72
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2Br)CCC3)=C1	REAL300000439973	1	34	-2.0	-106.62	327.76	5.73	-100.89
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000439974	0	37	-2.0	-110.82	349.50	5.96	-104.86
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000439975	0	37	-2.0	-100.69	344.94	5.95	-94.74
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000439976	0	37	-2.0	-113.66	344.96	5.94	-107.72
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000439977	0	41	-2.0	-120.19	373.10	5.74	-114.45
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CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000439997	0	37	-2.0	-100.00	349.48	5.98	-94.02
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000439998	0	34	-2.0	-102.56	337.21	5.07	-97.49
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000439999	0	37	-2.0	-104.29	351.38	6.00	-98.29
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000440000	0	40	-2.0	-113.30	370.71	6.65	-106.65
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000440001	0	37	-2.0	-100.05	350.42	6.01	-94.04
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000440002	0	38	-2.0	-114.56	354.67	3.63	-110.93
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CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000440004	0	40	-2.0	-108.87	355.00	6.57	-102.30
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000440005	0	40	-2.0	-112.23	369.80	6.58	-105.65
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CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000440007	0	43	-2.0	-116.82	378.42	7.02	-109.80
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000440008	0	43	-2.0	-113.53	378.49	7.35	-106.18
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000440009	0	40	-2.0	-114.23	370.28	6.63	-107.60
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000440010	0	40	-2.0	-117.56	370.00	6.62	-110.94
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000440011	0	43	-2.0	-115.69	379.28	7.12	-108.57
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000440012	0	41	-2.0	-112.99	372.89	6.14	-106.85
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000440013	0	40	-2.0	-100.85	360.97	6.50	-94.35
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000440014	0	40	-2.0	-112.88	364.49	6.77	-106.11
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000440015	0	37	-2.0	-116.82	348.59	5.97	-110.85
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000440016	0	40	-2.0	-106.22	369.91	6.62	-99.60
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000440017	0	36	-2.0	-112.18	341.93	4.00	-108.18
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000440018	0	41	-2.0	-105.03	373.16	5.73	-99.30
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000440019	0	34	-2.0	-101.43	345.06	4.91	-96.52
CCOC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000440020	0	40	-2.0	-107.84	367.09	5.93	-101.91
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(=O)N(C)C(C)C	REAL300000440022	1	47	-2.0	-105.44	395.79	7.01	-98.43
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(=O)N(C)C(C)C	REAL300000440023	0	44	-2.0	-100.15	389.00	6.02	-94.13
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(=O)N(C)C(C)C	REAL300000440024	1	48	-2.0	-104.20	402.44	6.36	-97.84
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(=O)N(C)C(C)C	REAL300000440025	0	44	-2.0	-103.24	387.47	6.04	-97.20
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)N(C)C(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000440026	0	47	-2.0	-100.02	398.82	6.15	-93.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(=O)N(C)C(C)C	REAL300000440027	0	44	-2.0	-96.35	388.10	6.14	-90.21
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(=O)N(C)C(C)C	REAL300000440028	0	46	-2.0	-103.90	392.33	5.11	-98.79
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1	REAL300000440029	1	43	-2.0	-87.85	383.02	6.38	-81.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC=C1F	REAL300000440030	1	36	-2.0	-104.27	331.08	7.82	-96.45
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000440031	0	44	-2.0	-104.85	386.16	8.87	-95.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1	REAL300000440032	1	36	-2.0	-94.39	326.54	7.80	-86.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440033	1	36	-2.0	-106.71	326.54	7.79	-98.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000440034	0	40	-2.0	-111.68	354.68	7.59	-104.09
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1	REAL300000440035	1	40	-2.0	-93.82	358.01	9.08	-84.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000440036	1	39	-2.0	-107.89	342.56	8.32	-99.57
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440037	0	36	-2.0	-101.87	339.61	8.36	-93.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC=C1Cl	REAL300000440038	1	36	-2.0	-102.58	339.06	8.18	-94.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1C	REAL300000440039	1	42	-2.0	-109.21	359.22	9.14	-100.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440040	0	36	-2.0	-103.58	332.02	7.85	-95.73
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1	REAL300000440041	1	42	-2.0	-93.02	370.12	9.37	-83.65
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440042	0	33	-2.0	-101.08	319.72	6.81	-94.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000440043	1	39	-2.0	-107.08	341.97	8.57	-98.51
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000440045	0	37	-2.0	-105.17	333.19	7.14	-98.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440047	0	36	-2.0	-97.19	335.66	7.47	-89.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CS1	REAL300000440049	0	33	-2.0	-102.53	318.19	6.82	-95.71
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440051	1	46	-2.0	-110.87	381.78	10.42	-100.45
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000440052	1	45	-2.0	-109.11	380.44	9.80	-99.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000440053	1	42	-2.0	-105.26	356.68	9.50	-95.76
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000440054	0	43	-2.0	-111.12	376.97	8.35	-102.77
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(N3C=CC=C3)=C2)=CC(C(=O)[O-])=C1	REAL300000440055	0	39	-2.0	-112.72	361.65	8.21	-104.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC(C(=O)[O-])=C1	REAL300000440055	1	38	-3.0	-182.64	354.94	8.35	-174.29
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440056	1	43	-2.0	-111.22	370.78	9.68	-101.54
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000440057	0	36	-2.0	-100.33	329.55	6.92	-93.41
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440058	0	40	-2.0	-107.90	355.53	6.88	-101.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C(Cl)C=C1F	REAL300000440060	0	36	-2.0	-98.65	344.13	8.37	-90.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000440062	1	39	-2.0	-97.82	347.26	8.60	-89.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1F	REAL300000440063	1	40	-2.0	-92.06	363.84	8.13	-83.93
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C(C(=O)[O-])S1	REAL300000440065	1	36	-2.0	-103.62	335.14	7.68	-95.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C(Cl)=C1	REAL300000440066	0	36	-2.0	-91.96	339.59	8.35	-83.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1F	REAL300000440067	1	36	-2.0	-93.92	331.06	7.83	-86.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)S1	REAL300000440068	0	33	-2.0	-96.02	318.81	6.91	-89.11
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440069	1	36	-2.0	-97.62	332.94	7.86	-89.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1F	REAL300000440070	0	39	-2.0	-105.00	352.30	8.49	-96.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C(F)=C1	REAL300000440071	0	36	-2.0	-93.89	332.00	7.86	-86.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1Cl	REAL300000440072	1	36	-2.0	-91.94	339.04	8.19	-83.75
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000440073	1	39	-2.0	-99.48	356.00	8.99	-90.49
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1	REAL300000440074	1	44	-2.0	-90.60	390.29	9.20	-81.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC(F)=C1F	REAL300000440075	1	36	-2.0	-95.86	337.36	7.88	-87.98
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440076	0	38	-2.0	-91.82	354.73	8.46	-83.36
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440077	0	37	-2.0	-105.75	336.25	5.50	-100.25
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440077	1	37	-2.0	-105.42	335.35	6.37	-99.05
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1	REAL300000440078	1	39	-2.0	-97.47	348.73	8.56	-88.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC(Cl)=C1F	REAL300000440079	1	36	-2.0	-97.26	347.24	8.32	-88.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000440080	1	39	-2.0	-103.44	336.61	8.43	-95.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC(C(=O)[O-])=C1F	REAL300000440081	1	39	-2.0	-105.60	351.37	8.44	-97.16
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC(C(=O)[O-])=C1C	REAL300000440083	1	42	-2.0	-111.28	363.34	8.96	-102.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC=C1[N+](=O)[O-]	REAL300000440084	0	38	-2.0	-105.23	353.12	8.88	-96.35
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440085	0	36	-2.0	-95.39	338.29	7.92	-87.47
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000440087	0	39	-2.0	-105.90	351.86	8.49	-97.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1Cl	REAL300000440088	0	39	-2.0	-103.63	358.30	8.93	-94.70
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440089	0	39	-2.0	-112.24	351.55	8.48	-103.76
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000440090	1	42	-2.0	-108.61	360.82	8.98	-99.63
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000440092	1	39	-2.0	-96.44	353.33	8.94	-87.50
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000440093	1	39	-2.0	-104.38	357.76	8.75	-95.63
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000440094	0	40	-2.0	-106.42	354.67	8.00	-98.42
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000440096	1	39	-2.0	-101.28	360.28	8.86	-92.42
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000440097	1	39	-2.0	-94.51	342.55	8.33	-86.18
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1[N+](=O)[O-]	REAL300000440099	0	38	-2.0	-114.58	350.26	9.65	-104.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1F	REAL300000440100	0	36	-2.0	-111.45	330.20	7.82	-103.63
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000440101	1	39	-2.0	-99.52	351.48	8.47	-91.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=CC2=CC=CC=C21	REAL300000440102	1	42	-2.0	-115.04	367.58	9.91	-105.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C1	REAL300000440103	0	35	-2.0	-104.54	322.76	5.91	-98.63
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C=CC=C2)=C1	REAL300000440104	0	40	-2.0	-98.47	354.74	7.58	-90.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)=C(Cl)O1	REAL300000440105	0	33	-2.0	-94.37	326.69	6.76	-87.61
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4C=CC=C4)=C3)C=C2)CC1	REAL300000440106	1	43	-2.0	-100.65	372.66	9.67	-90.98
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4C=CC=C4)=C3)C=C2C1	REAL300000440107	1	43	-2.0	-105.08	371.98	9.67	-95.41
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000440108	0	39	-2.0	-100.02	348.67	7.77	-92.25
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440111	1	36	-2.0	-113.07	330.88	5.47	-107.60
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2CCC2=O)C=C1	REAL300000440112	0	40	-2.0	-117.46	358.60	5.25	-112.21
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C=C1	REAL300000440113	1	40	-2.0	-100.31	362.33	6.76	-93.55
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440115	0	36	-2.0	-108.22	343.95	6.04	-102.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=CC=C1Cl	REAL300000440116	1	36	-2.0	-108.66	342.96	5.84	-102.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1C	REAL300000440117	1	42	-2.0	-115.23	363.27	6.78	-108.45
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440118	0	36	-2.0	-109.74	336.35	5.53	-104.21
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C=C1	REAL300000440119	1	42	-2.0	-99.37	374.44	7.06	-92.31
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440120	0	33	-2.0	-107.51	324.06	4.48	-103.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2CCC2=O)C=C1	REAL300000440121	1	39	-2.0	-113.37	346.31	6.25	-107.12
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C=C1C(=O)[O-]	REAL300000440123	1	37	-2.0	-111.27	337.11	4.79	-106.48
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440125	0	36	-2.0	-103.26	339.57	5.12	-98.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=CS1	REAL300000440127	0	33	-2.0	-108.88	322.53	4.50	-104.38
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2CCC2=O)C=C1	REAL300000440129	1	45	-2.0	-115.01	384.36	7.45	-107.56
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2CCC2=O)C=C1	REAL300000440130	1	42	-2.0	-111.62	361.03	7.20	-104.42
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2CCC2=O)C=C1	REAL300000440131	0	43	-2.0	-119.16	381.31	6.04	-113.12
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440132	0	39	-2.0	-115.32	361.98	5.99	-109.33
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440132	1	38	-3.0	-188.65	359.28	6.03	-182.62
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440133	1	43	-2.0	-117.47	375.13	7.36	-110.11
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000440134	0	36	-2.0	-106.41	333.49	4.58	-101.83
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440135	0	40	-2.0	-114.18	359.43	4.54	-109.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C(Cl)C=C1F	REAL300000440136	0	36	-2.0	-104.65	348.04	6.03	-98.62
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2CCC2=O)C=C1	REAL300000440138	1	39	-2.0	-103.79	351.17	6.26	-97.53
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C=C1F	REAL300000440139	1	40	-2.0	-98.26	367.75	5.79	-92.47
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C=C(C(=O)[O-])S1	REAL300000440141	1	36	-2.0	-109.94	339.48	5.36	-104.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C(Cl)=C1	REAL300000440142	0	36	-2.0	-98.19	343.51	6.01	-92.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C=C1F	REAL300000440143	1	36	-2.0	-100.11	334.97	5.49	-94.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)S1	REAL300000440144	0	33	-2.0	-102.11	322.72	4.57	-97.54
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440145	1	36	-2.0	-104.06	337.28	5.54	-98.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1F	REAL300000440146	0	39	-2.0	-111.25	356.64	6.17	-105.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C(F)=C1	REAL300000440147	0	36	-2.0	-100.33	336.34	5.54	-94.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C=C1Cl	REAL300000440148	1	36	-2.0	-98.11	342.96	5.85	-92.26
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2CCC2=O)C=C1	REAL300000440149	1	39	-2.0	-105.41	359.90	6.65	-98.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=CC(F)=C1F	REAL300000440150	1	36	-2.0	-101.98	341.29	5.54	-96.44
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440151	1	38	-2.0	-98.20	359.07	6.14	-92.06
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440152	0	37	-2.0	-112.07	340.59	3.18	-108.89
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440152	1	37	-2.0	-111.43	339.79	3.98	-107.45
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C=C1	REAL300000440153	1	39	-2.0	-103.71	353.05	6.25	-97.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=CC(Cl)=C1F	REAL300000440154	1	36	-2.0	-103.39	351.17	5.98	-97.41
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCC2=O)C=C1	REAL300000440155	1	39	-2.0	-111.09	344.70	6.21	-104.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=CC=C1[N+](=O)[O-]	REAL300000440159	0	38	-2.0	-111.30	357.03	6.54	-104.76
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440160	0	36	-2.0	-101.66	342.63	5.60	-96.06
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C=C1C(=O)[O-]	REAL300000440162	0	39	-2.0	-110.92	352.35	6.07	-104.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1Cl	REAL300000440163	0	39	-2.0	-110.02	362.64	6.61	-103.41
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440164	0	39	-2.0	-118.67	355.91	6.16	-112.51
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(N2CCC2=O)C=C1	REAL300000440167	1	39	-2.0	-103.76	360.47	6.72	-97.04
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000440168	1	39	-2.0	-110.79	362.10	6.43	-104.36
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C=C1C(=O)[O-]	REAL300000440169	1	40	-2.0	-112.56	358.48	5.67	-106.89
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C=C1C(=O)[O-]	REAL300000440170	1	39	-2.0	-107.35	364.24	6.52	-100.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1[N+](=O)[O-]	REAL300000440173	0	38	-2.0	-120.68	354.20	7.32	-113.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1F	REAL300000440174	0	36	-2.0	-117.52	334.11	5.48	-112.04
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C=C1C(=O)[O-]	REAL300000440175	1	39	-2.0	-105.53	355.42	6.12	-99.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=CC2=CC=CC=C21	REAL300000440176	1	42	-2.0	-121.00	371.50	7.57	-113.43
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C1	REAL300000440177	0	35	-2.0	-110.83	327.09	3.58	-107.25
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2CCC2=O)C=C1	REAL300000440178	0	40	-2.0	-104.69	358.66	5.24	-99.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)=C(Cl)O1	REAL300000440179	0	33	-2.0	-100.46	330.61	4.42	-96.04
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(N4CCC4=O)C=C3)C=C2)CC1	REAL300000440180	1	43	-2.0	-106.62	376.58	7.34	-99.28
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(N4CCC4=O)C=C3)C=C2C1	REAL300000440181	1	43	-2.0	-109.03	376.32	7.36	-101.67
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000440182	0	39	-2.0	-106.12	352.58	5.44	-100.68
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1	REAL300000440183	1	39	-2.0	-92.73	353.45	3.62	-89.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC=C1F	REAL300000440184	1	32	-2.0	-109.43	301.52	5.07	-104.36
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC2=C1	REAL300000440185	0	40	-2.0	-110.58	356.61	6.13	-104.45
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440186	0	32	-2.0	-106.84	313.41	5.75	-101.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1	REAL300000440187	1	32	-2.0	-99.36	296.98	5.04	-94.32
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440188	1	32	-2.0	-112.22	296.99	5.03	-107.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC2=C1	REAL300000440189	0	36	-2.0	-117.75	325.13	4.83	-112.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC=C1Br	REAL300000440190	1	32	-2.0	-107.50	313.23	5.52	-101.98
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1	REAL300000440191	1	36	-2.0	-98.89	328.44	6.33	-92.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000440192	1	35	-2.0	-113.43	313.01	5.57	-107.86
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440193	0	32	-2.0	-107.65	310.06	5.61	-102.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC=C1Cl	REAL300000440194	1	32	-2.0	-107.91	309.50	5.43	-102.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C(Cl)C=C1Cl	REAL300000440195	0	32	-2.0	-103.16	322.56	5.99	-97.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1C	REAL300000440196	1	38	-2.0	-114.86	329.39	6.36	-108.50
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440197	0	32	-2.0	-109.48	302.47	5.10	-104.38
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1	REAL300000440198	1	38	-2.0	-98.21	340.56	6.63	-91.58
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440199	0	29	-2.0	-106.27	290.18	4.06	-102.21
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC2=C1	REAL300000440200	1	35	-2.0	-112.89	312.42	5.83	-107.06
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1	REAL300000440201	1	36	-2.0	-97.57	328.06	5.32	-92.25
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4C=CNC4=C3)C=C2)C1	REAL300000440202	1	43	-2.0	-94.00	373.82	6.10	-87.90
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000440203	0	33	-2.0	-110.49	303.63	4.39	-106.10
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440205	0	32	-2.0	-102.33	306.10	4.72	-97.61
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000440206	1	38	-2.0	-114.54	328.06	6.38	-108.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CS1	REAL300000440207	0	29	-2.0	-107.77	288.64	4.08	-103.69
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000440208	1	40	-2.0	-112.36	355.30	4.85	-107.51
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000440209	1	36	-2.0	-118.01	324.28	5.10	-112.91
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440210	1	42	-2.0	-116.99	352.25	7.65	-109.34
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC2=C1	REAL300000440211	1	41	-2.0	-115.28	350.90	7.05	-108.23
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC2=C1	REAL300000440212	1	38	-2.0	-111.12	327.13	6.77	-104.35
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC2=C1	REAL300000440213	0	39	-2.0	-118.46	347.42	5.60	-112.86
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3C=CNC3=C2)=C1	REAL300000440214	0	35	-2.0	-111.17	332.10	5.46	-105.71
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440214	1	34	-3.0	-188.02	325.41	5.60	-182.42
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440215	1	39	-2.0	-117.38	341.24	6.94	-110.44
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C(C(=O)[O-])O1	REAL300000440216	0	32	-2.0	-105.77	300.00	4.18	-101.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC2=C1OCCO2	REAL300000440217	1	38	-2.0	-116.91	339.17	4.81	-112.10
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440218	0	36	-2.0	-113.20	325.98	4.12	-109.08
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C=CNC4=C3)C=C2C1	REAL300000440219	1	40	-2.0	-99.03	350.62	5.66	-93.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC(Cl)=C1Cl	REAL300000440220	1	32	-2.0	-101.54	324.67	5.89	-95.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C(Cl)C=C1F	REAL300000440221	0	32	-2.0	-104.17	314.58	5.63	-98.54
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1Cl	REAL300000440222	1	36	-2.0	-95.99	344.09	5.86	-90.13
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC=C1OCC(=O)[O-]	REAL300000440223	1	39	-2.0	-98.08	348.15	6.03	-92.05
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1F	REAL300000440224	1	42	-2.0	-96.57	376.73	6.29	-90.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC2=C1	REAL300000440225	1	35	-2.0	-103.31	317.70	5.86	-97.45
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC=C1OCCCC(=O)[O-]	REAL300000440226	1	45	-2.0	-98.10	390.58	6.96	-91.14
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1F	REAL300000440227	1	36	-2.0	-96.87	334.28	5.38	-91.49
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000440228	1	39	-2.0	-118.65	346.12	6.01	-112.64
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C(C(=O)[O-])S1	REAL300000440229	0	32	-2.0	-109.12	306.68	4.93	-104.19
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440230	0	32	-2.0	-101.23	325.21	6.05	-95.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C(Cl)=C1	REAL300000440231	0	32	-2.0	-96.84	310.04	5.60	-91.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C(Br)=C1	REAL300000440232	0	32	-2.0	-96.23	313.39	5.74	-90.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1F	REAL300000440233	1	32	-2.0	-98.73	301.52	5.08	-93.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)S1	REAL300000440234	0	29	-2.0	-101.03	289.26	4.17	-96.86
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440235	1	32	-2.0	-102.85	303.40	5.10	-97.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1F	REAL300000440236	0	35	-2.0	-110.98	322.75	5.74	-105.24
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000440237	0	36	-2.0	-101.51	337.30	5.66	-95.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C(F)=C1	REAL300000440238	0	32	-2.0	-98.85	302.45	5.11	-93.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1Cl	REAL300000440239	1	32	-2.0	-96.89	309.50	5.44	-91.45
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC2=C1	REAL300000440240	1	35	-2.0	-105.03	326.43	6.25	-98.78
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1	REAL300000440241	1	40	-2.0	-95.56	360.73	6.45	-89.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1Br	REAL300000440242	1	32	-2.0	-96.52	313.23	5.53	-90.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC(F)=C1F	REAL300000440243	1	32	-2.0	-100.78	307.81	5.13	-95.65
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440244	0	34	-2.0	-96.90	325.18	5.70	-91.20
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440245	0	33	-2.0	-111.92	306.70	2.75	-109.17
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3C=CNC3=C2)=C1	REAL300000440245	1	33	-2.0	-109.60	305.93	3.54	-106.06
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1	REAL300000440246	1	35	-2.0	-103.08	319.16	5.82	-97.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC(Cl)=C1F	REAL300000440247	1	32	-2.0	-102.32	317.70	5.57	-96.75
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C=CNC2=C1	REAL300000440248	1	35	-2.0	-108.28	307.06	5.67	-102.61
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC(C(=O)[O-])=C1F	REAL300000440249	1	35	-2.0	-110.85	321.83	5.69	-105.16
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=CNC2=C1	REAL300000440250	1	35	-2.0	-99.47	312.40	5.82	-93.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC(C(=O)[O-])=C1C	REAL300000440251	1	38	-2.0	-116.62	334.49	6.24	-110.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC=C1[N+](=O)[O-]	REAL300000440252	0	34	-2.0	-110.02	323.54	6.13	-103.89
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440253	0	32	-2.0	-100.93	308.75	5.16	-95.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C(C)=C1C(=O)[O-]	REAL300000440254	1	38	-2.0	-112.76	330.38	6.44	-106.32
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000440255	0	35	-2.0	-111.85	322.30	5.73	-106.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1Cl	REAL300000440256	0	35	-2.0	-109.44	328.75	6.17	-103.27
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440257	0	35	-2.0	-117.14	322.03	5.73	-111.41
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000440258	1	38	-2.0	-114.22	330.93	6.22	-108.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1CC(=O)[O-]	REAL300000440259	1	39	-2.0	-113.73	347.45	5.17	-108.56
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC2=C1	REAL300000440260	1	35	-2.0	-101.33	323.78	6.18	-95.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1C(F)(F)F	REAL300000440261	1	35	-2.0	-95.82	327.11	5.84	-89.98
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000440262	1	35	-2.0	-109.68	328.23	5.99	-103.69
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440263	1	32	-2.0	-104.82	318.28	5.65	-99.17
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000440264	0	36	-2.0	-111.80	325.01	5.26	-106.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C(F)C(Cl)=C1F	REAL300000440266	0	32	-2.0	-99.51	322.57	5.60	-93.91
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000440267	1	35	-2.0	-106.57	330.73	6.10	-100.47
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C(C(=O)[O-])S1	REAL300000440268	0	41	-2.0	-108.72	346.43	7.18	-101.54
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000440269	0	36	-2.0	-113.20	337.32	5.67	-107.53
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC=C1C(=O)[O-]	REAL300000440270	1	35	-2.0	-99.57	313.00	5.58	-93.99
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C([N+](=O)[O-])=C1	REAL300000440271	0	37	-2.0	-104.77	340.26	7.23	-97.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC2=C1	REAL300000440272	1	35	-2.0	-110.10	316.95	5.86	-104.24
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1[N+](=O)[O-]	REAL300000440273	0	34	-2.0	-119.55	320.73	6.89	-112.66
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1F	REAL300000440274	0	32	-2.0	-116.36	300.65	5.07	-111.29
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300000440275	1	35	-2.0	-104.73	321.93	5.71	-99.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=CC2=CC=CC=C21	REAL300000440276	1	38	-2.0	-120.56	338.03	7.16	-113.40
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C1	REAL300000440277	0	31	-2.0	-109.91	293.21	3.17	-106.74
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=CNC2=C1	REAL300000440278	0	36	-2.0	-103.75	325.19	4.84	-98.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)=C(Cl)O1	REAL300000440279	0	29	-2.0	-99.48	297.14	4.01	-95.47
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4C=CNC4=C3)C=C2)CC1	REAL300000440280	1	39	-2.0	-106.09	343.12	6.92	-99.17
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C=CNC4=C3)C=C2C1	REAL300000440281	1	39	-2.0	-109.79	342.43	6.92	-102.87
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C=CNC3=C2)C=C(C(=O)[O-])O1	REAL300000440282	0	35	-2.0	-105.54	319.12	5.03	-100.51
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000440283	1	41	-2.0	-109.41	365.38	6.75	-102.66
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000440284	1	41	-2.0	-99.44	360.81	6.73	-92.71
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000440285	1	41	-2.0	-112.18	360.85	6.72	-105.46
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000440286	1	45	-2.0	-98.74	392.28	8.02	-90.72
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000440287	1	44	-2.0	-113.55	376.84	7.25	-106.30
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000440288	1	47	-2.0	-115.94	393.93	8.05	-107.89
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000440289	0	41	-2.0	-110.30	366.31	6.79	-103.51
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000440290	1	47	-2.0	-98.18	404.41	8.31	-89.87
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000440291	0	38	-2.0	-106.58	354.01	5.75	-100.83
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000440292	1	44	-2.0	-114.05	376.26	7.51	-106.54
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000440293	0	42	-2.0	-110.51	367.47	6.08	-104.43
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C3=CC=NN3C)=CC=C2C)=C1	REAL300000440294	0	41	-2.0	-102.53	369.95	6.41	-96.12
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000440296	0	38	-2.0	-107.72	352.50	5.75	-101.97
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=NN2C)=CC=C1C	REAL300000440297	1	47	-2.0	-112.23	390.41	8.44	-103.79
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=NN3C)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000440298	0	41	-2.0	-106.59	363.85	5.86	-100.73
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=NN3C)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000440299	1	41	-2.0	-109.98	370.52	6.61	-103.37
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000440300	1	41	-2.0	-98.78	365.36	6.76	-92.02
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000440301	0	38	-2.0	-101.32	353.08	5.86	-95.46
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000440302	1	41	-2.0	-103.04	367.26	6.78	-96.26
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000440303	0	41	-2.0	-98.82	366.29	6.80	-92.02
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000440304	0	42	-2.0	-113.15	370.55	4.44	-108.71
CC1=CC=C(C2=CC=NN2C)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000440304	1	42	-2.0	-112.86	367.91	5.28	-107.58
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000440305	1	44	-2.0	-103.59	383.01	7.50	-96.09
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000440306	1	44	-2.0	-107.55	370.81	7.36	-100.19
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000440308	1	47	-2.0	-115.43	393.68	7.78	-107.65
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=NN3C)=CC=C2C)C=C1C(=O)[O-]	REAL300000440310	1	47	-2.0	-114.09	394.95	7.91	-106.18
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=CC=NN3C)=CC=C2C)C=C1C(=O)[O-]	REAL300000440311	0	45	-2.0	-111.80	388.80	6.93	-104.87
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000440312	1	44	-2.0	-99.61	376.86	7.26	-92.35
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000440313	0	41	-2.0	-115.61	364.46	6.75	-108.86
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000440314	0	40	-2.0	-110.47	357.80	4.79	-105.68
CC1=CC=C(C2=CC=NN2C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000440315	0	38	-2.0	-100.06	360.95	5.71	-94.35
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=NN3C)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000440316	0	44	-2.0	-106.45	382.97	6.71	-99.74
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000440317	0	41	-2.0	-99.09	369.23	3.70	-95.39
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000440318	0	34	-2.0	-115.76	317.34	5.15	-110.61
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1	REAL300000440319	0	42	-2.0	-117.49	372.41	6.22	-111.27
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=N1	REAL300000440320	0	34	-2.0	-113.61	329.21	5.83	-107.78
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000440321	0	34	-2.0	-105.46	312.77	5.13	-100.33
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000440322	0	34	-2.0	-118.70	312.80	5.12	-113.58
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1	REAL300000440323	0	38	-2.0	-124.80	340.93	4.93	-119.87
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=N1	REAL300000440324	0	34	-2.0	-113.90	329.05	5.61	-108.29
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000440325	0	38	-2.0	-105.20	344.23	6.40	-98.80
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000440326	0	37	-2.0	-121.23	332.87	5.76	-115.47
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000440327	0	34	-2.0	-114.38	325.86	5.68	-108.70
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000440328	0	34	-2.0	-114.30	325.31	5.51	-108.79
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=N1	REAL300000440329	0	34	-2.0	-109.69	338.37	6.06	-103.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)=C1C	REAL300000440330	0	40	-2.0	-121.77	345.91	6.44	-115.33
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000440331	0	34	-2.0	-116.34	318.27	5.18	-111.16
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000440332	0	40	-2.0	-104.65	356.34	6.70	-97.95
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000440333	0	31	-2.0	-112.66	305.97	4.14	-108.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1	REAL300000440334	0	37	-2.0	-119.89	328.22	5.89	-114.00
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000440335	0	38	-2.0	-103.91	343.84	5.39	-98.52
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=N1	REAL300000440336	0	45	-2.0	-100.59	389.62	6.17	-94.42
CC(C)N1C=CC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=N1	REAL300000440337	0	31	-2.0	-109.48	322.99	4.90	-104.58
CC(C)N1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000440338	0	35	-2.0	-116.92	319.44	4.47	-112.45
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1	REAL300000440339	0	38	-2.0	-120.21	337.00	3.93	-116.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)=C1	REAL300000440340	0	34	-2.0	-108.54	321.91	4.80	-103.74
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000440341	0	40	-2.0	-121.30	344.25	6.43	-114.87
CC(C)N1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000440342	0	31	-2.0	-114.09	304.45	4.15	-109.94
COC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000440343	0	42	-2.0	-118.77	371.14	4.93	-113.84
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000440344	0	38	-2.0	-124.55	340.08	5.19	-119.36
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000440345	0	44	-2.0	-124.02	368.04	7.73	-116.29
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1	REAL300000440346	0	43	-2.0	-122.34	366.69	7.12	-115.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1	REAL300000440347	0	40	-2.0	-118.15	342.94	6.84	-111.31
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1	REAL300000440348	0	41	-2.0	-125.39	363.22	5.69	-119.70
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000440349	0	36	-3.0	-194.13	341.21	5.68	-188.45
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000440350	0	41	-2.0	-124.29	357.05	7.00	-117.29
CC1=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000440351	0	34	-2.0	-112.14	315.81	4.26	-107.88
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000440352	0	40	-2.0	-123.46	354.97	4.89	-118.57
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)=C1	REAL300000440353	0	38	-2.0	-119.60	341.79	4.22	-115.38
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000440354	0	42	-2.0	-105.48	366.41	5.72	-99.76
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000440355	0	34	-2.0	-107.82	340.48	5.97	-101.85
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000440356	0	34	-2.0	-110.60	330.40	5.70	-104.90
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300000440357	0	38	-2.0	-102.20	359.90	5.94	-96.26
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)=CC=C1OCC(=O)[O-]	REAL300000440358	0	41	-2.0	-104.41	363.95	6.11	-98.30
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=N1	REAL300000440359	0	44	-2.0	-102.80	392.55	6.37	-96.43
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1	REAL300000440360	0	37	-2.0	-109.89	333.53	5.92	-103.97
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)=CC=C1OCCCC(=O)[O-]	REAL300000440361	0	47	-2.0	-104.50	406.40	7.04	-97.46
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000440362	0	38	-2.0	-103.08	350.10	5.47	-97.61
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000440363	0	41	-2.0	-125.33	361.94	6.09	-119.24
CC1=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000440364	0	34	-2.0	-116.01	321.41	5.01	-111.00
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300000440365	0	34	-2.0	-107.73	341.03	6.13	-101.60
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000440366	0	34	-2.0	-102.83	325.85	5.67	-97.16
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=N1	REAL300000440367	0	34	-2.0	-102.26	329.21	5.82	-96.44
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000440368	0	34	-2.0	-104.71	317.32	5.16	-99.55
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000440369	0	31	-2.0	-107.19	305.06	4.25	-102.94
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000440370	0	34	-2.0	-109.20	319.21	5.18	-104.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)=C1F	REAL300000440371	0	37	-2.0	-117.80	338.55	5.82	-111.98
COC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000440372	0	38	-2.0	-107.36	353.12	5.74	-101.62
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000440373	0	34	-2.0	-104.95	318.26	5.19	-99.76
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000440374	0	34	-2.0	-102.92	325.29	5.52	-97.40
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1	REAL300000440375	0	37	-2.0	-111.68	342.26	6.31	-105.37
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000440376	0	42	-2.0	-101.87	376.51	6.52	-95.35
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=N1	REAL300000440377	0	34	-2.0	-102.51	329.03	5.62	-96.89
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000440378	0	34	-2.0	-106.89	323.62	5.21	-101.68
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000440379	0	36	-2.0	-103.11	340.99	5.79	-97.32
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000440380	0	35	-2.0	-118.76	322.50	2.85	-115.91
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000440381	0	37	-2.0	-109.67	334.94	5.89	-103.78
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000440382	0	34	-2.0	-108.49	333.51	5.65	-102.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1	REAL300000440383	0	37	-2.0	-114.43	322.87	5.75	-108.68
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)=CC(C(=O)[O-])=C1F	REAL300000440384	0	37	-2.0	-117.18	337.64	5.77	-111.41
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1	REAL300000440385	0	37	-2.0	-105.63	328.22	5.88	-99.75
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)=CC(C(=O)[O-])=C1C	REAL300000440386	0	40	-2.0	-123.37	349.60	6.29	-117.08
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000440387	0	36	-2.0	-116.04	339.36	6.22	-109.82
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000440388	0	34	-2.0	-107.47	324.54	5.24	-102.23
CC(C)N1C=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=N1	REAL300000440389	0	31	-2.0	-104.93	325.38	4.79	-100.14
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C(C)=C1C(=O)[O-]	REAL300000440390	0	40	-2.0	-118.61	347.27	6.50	-112.11
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000440391	0	37	-2.0	-117.50	334.28	5.72	-111.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)=C1Cl	REAL300000440392	0	37	-2.0	-116.21	344.56	6.25	-109.96
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)=C1	REAL300000440393	0	37	-2.0	-123.39	337.82	5.81	-117.58
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000440394	0	40	-2.0	-120.79	346.74	6.30	-114.49
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C=C1CC(=O)[O-]	REAL300000440395	0	41	-2.0	-120.53	363.27	5.25	-115.28
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1	REAL300000440396	0	37	-2.0	-107.54	339.05	6.30	-101.24
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300000440397	0	37	-2.0	-101.78	342.92	5.93	-95.85
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000440398	0	37	-2.0	-116.08	344.03	6.08	-110.00
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300000440399	0	34	-2.0	-111.20	334.09	5.73	-105.47
CCN1C=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000440400	0	38	-2.0	-118.25	340.83	5.34	-112.91
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C(C)=C1CC(=O)[O-]	REAL300000440401	0	46	-2.0	-118.23	377.70	7.97	-110.26
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=N1	REAL300000440402	0	34	-2.0	-105.86	338.40	5.67	-100.19
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=N1	REAL300000440403	0	38	-2.0	-104.51	357.49	5.42	-99.09
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000440404	0	37	-2.0	-111.85	342.66	6.09	-105.76
CC(C)N1C=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=N1	REAL300000440405	0	43	-2.0	-115.54	362.22	7.21	-108.33
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000440406	0	38	-2.0	-119.90	353.13	5.74	-114.16
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000440407	0	37	-2.0	-105.66	328.81	5.66	-100.00
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000440408	0	39	-2.0	-111.04	356.06	7.31	-103.73
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1	REAL300000440409	0	37	-2.0	-116.86	332.74	5.92	-110.94
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000440410	0	36	-2.0	-125.54	336.55	6.97	-118.57
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000440411	0	34	-2.0	-122.55	316.44	5.14	-117.41
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000440412	0	37	-2.0	-110.07	333.96	5.69	-104.38
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000440413	0	40	-2.0	-127.20	353.83	7.24	-119.96
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000440414	0	33	-2.0	-116.47	309.00	3.24	-113.23
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1	REAL300000440415	0	38	-2.0	-110.16	340.99	4.93	-105.23
CC(C)N1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000440416	0	31	-2.0	-105.71	312.90	4.08	-101.63
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300000440417	0	38	-2.0	-113.52	356.58	5.67	-107.85
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=N1	REAL300000440418	0	37	-2.0	-109.24	356.13	2.16	-107.08
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000440419	0	41	-2.0	-112.63	358.90	7.00	-105.63
CC(C)N1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000440420	0	41	-2.0	-116.16	358.24	7.01	-109.15
CCC1=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000440421	0	37	-2.0	-111.98	334.92	5.11	-106.87
CCOC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000440422	0	43	-2.0	-108.47	385.68	9.05	-99.42
CCOC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000440423	0	43	-2.0	-122.16	385.71	9.04	-113.12
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=NN2)O1	REAL300000440424	0	35	-2.0	-113.50	338.95	4.92	-108.58
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)O1	REAL300000440424	1	35	-2.0	-103.43	338.06	4.91	-98.52
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=NN2)O1	REAL300000440425	0	35	-2.0	-103.31	334.40	4.91	-98.40
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)O1	REAL300000440425	1	35	-2.0	-93.70	333.51	4.89	-88.81
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=NN2)O1	REAL300000440426	0	35	-2.0	-116.21	334.42	4.89	-111.32
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300000440426	1	35	-2.0	-105.55	333.53	4.88	-100.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=C(C)O2)=C1	REAL300000440427	0	39	-2.0	-121.78	362.56	4.70	-117.08
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=C(C)O2)=NN1	REAL300000440427	1	39	-2.0	-110.23	361.66	4.69	-105.54
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=NN2)O1	REAL300000440428	0	39	-2.0	-102.96	365.87	6.20	-96.76
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)O1	REAL300000440428	1	39	-2.0	-93.76	364.98	6.17	-87.59
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=NN2)O1	REAL300000440429	0	38	-2.0	-117.46	350.44	5.44	-112.02
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2)O1	REAL300000440429	1	38	-2.0	-106.52	349.53	5.41	-101.11
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=NN2)O1	REAL300000440430	0	41	-2.0	-119.07	367.08	6.26	-112.81
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=C2)O1	REAL300000440430	1	41	-2.0	-107.88	365.50	6.21	-101.67
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=NN2)O1	REAL300000440431	0	35	-2.0	-113.36	339.89	4.96	-108.40
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=NN2)O1	REAL300000440432	0	41	-2.0	-102.26	377.98	6.49	-95.77
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2)O1	REAL300000440432	1	41	-2.0	-92.79	377.10	6.47	-86.32
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=NN2)O1	REAL300000440433	0	32	-2.0	-110.12	327.61	3.93	-106.19
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)O1	REAL300000440433	1	32	-2.0	-99.88	326.70	3.90	-95.98
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=NN2)O1	REAL300000440434	0	38	-2.0	-116.97	349.85	5.68	-111.29
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2)O1	REAL300000440434	1	38	-2.0	-105.99	348.95	5.66	-100.33
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=NN2)O1	REAL300000440435	0	39	-2.0	-101.67	365.48	5.19	-96.48
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2)O1	REAL300000440435	1	39	-2.0	-92.37	364.60	5.16	-87.21
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=NN2)O1	REAL300000440436	0	36	-2.0	-114.53	341.06	4.25	-110.28
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)O1	REAL300000440436	1	36	-2.0	-104.06	340.16	4.22	-99.84
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)=NN2)O1	REAL300000440437	0	39	-2.0	-117.67	358.21	3.74	-113.93
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)=C2)O1	REAL300000440437	1	39	-2.0	-106.30	357.72	3.70	-102.60
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=NN2)O1	REAL300000440438	0	35	-2.0	-106.19	343.52	4.59	-101.60
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=NN2)O1	REAL300000440439	0	41	-2.0	-119.56	369.86	6.32	-113.24
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=C2)O1	REAL300000440439	1	41	-2.0	-107.00	364.97	6.20	-100.80
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=NN2)O1	REAL300000440440	0	32	-2.0	-111.72	326.06	3.93	-107.79
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)O1	REAL300000440440	1	32	-2.0	-101.50	325.18	3.91	-97.59
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=C(C)O3)=C2)C=C1C(=O)[O-]	REAL300000440441	0	39	-2.0	-122.08	361.69	4.96	-117.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=C(C)O3)=NN2)C=C1C(=O)[O-]	REAL300000440441	1	39	-2.0	-111.46	360.80	4.95	-106.51
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)=NN2)O1	REAL300000440442	0	44	-2.0	-119.32	388.31	6.90	-112.42
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)=C2)O1	REAL300000440442	1	44	-2.0	-107.99	387.41	6.89	-101.10
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=C(C)O2)=C1	REAL300000440443	0	41	-2.0	-115.22	364.54	6.63	-108.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=C(C)O2)=NN1	REAL300000440443	1	41	-2.0	-104.49	363.64	6.61	-97.88
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=C(C)O2)=C1	REAL300000440444	0	42	-2.0	-121.36	384.85	5.46	-115.90
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=C(C)O2)=NN1	REAL300000440444	1	42	-2.0	-109.64	383.94	5.45	-104.19
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=NN2)O1	REAL300000440445	0	37	-3.0	-191.68	362.82	5.46	-186.22
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=C2)O1	REAL300000440445	1	37	-3.0	-179.02	361.92	5.44	-173.58
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=NN2)O1	REAL300000440446	0	42	-2.0	-121.14	378.66	6.78	-114.36
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C2)O1	REAL300000440446	1	42	-2.0	-109.62	377.76	6.77	-102.85
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=NN2)O1	REAL300000440447	0	35	-2.0	-109.54	337.42	4.05	-105.49
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)O1	REAL300000440447	1	35	-2.0	-99.23	336.52	4.02	-95.21
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=NN2)O1	REAL300000440448	0	39	-2.0	-117.70	363.34	4.01	-113.69
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=C2)O1	REAL300000440448	1	39	-2.0	-107.50	362.43	3.98	-103.52
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(C)=C3)=NN2)O1	REAL300000440449	0	42	-2.0	-102.14	385.57	5.89	-96.25
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(C)=C3)=C2)O1	REAL300000440449	1	42	-2.0	-92.76	384.67	5.87	-86.89
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=NN2)O1	REAL300000440450	0	38	-2.0	-107.25	355.12	5.72	-101.53
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=C2)O1	REAL300000440450	1	38	-2.0	-96.88	354.23	5.69	-91.19
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=NN2)O1	REAL300000440451	0	39	-2.0	-100.92	371.71	5.24	-95.68
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=C2)O1	REAL300000440451	1	39	-2.0	-92.09	370.82	5.23	-86.86
CCOC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=C(C)O3)=C2)C=C1C(=O)[O-]	REAL300000440452	0	42	-2.0	-122.70	383.55	5.87	-116.83
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=C(C)O3)=NN2)C=C1C(=O)[O-]	REAL300000440452	1	42	-2.0	-112.09	382.67	5.86	-106.23
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=NN2)O1	REAL300000440453	0	35	-2.0	-113.21	343.04	4.79	-108.42
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=C2)O1	REAL300000440453	1	35	-2.0	-102.42	343.21	4.76	-97.66
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=NN2)O1	REAL300000440454	0	35	-2.0	-100.92	347.47	5.45	-95.47
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2)O1	REAL300000440454	1	35	-2.0	-91.66	346.57	5.44	-86.22
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=NN2)O1	REAL300000440455	0	35	-2.0	-102.68	338.93	4.93	-97.75
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)O1	REAL300000440455	1	35	-2.0	-93.46	338.05	4.92	-88.54
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=NN2)O1	REAL300000440456	0	32	-2.0	-104.95	326.67	4.02	-100.93
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=NN2)O1	REAL300000440457	0	35	-2.0	-106.78	340.82	4.96	-101.82
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)O1	REAL300000440457	1	35	-2.0	-96.64	339.93	4.95	-91.69
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=NN2)O1	REAL300000440458	0	38	-2.0	-114.82	360.17	5.60	-109.22
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=NN2)O1	REAL300000440459	0	35	-2.0	-102.80	339.88	4.97	-97.83
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=NN2)O1	REAL300000440460	0	35	-2.0	-100.85	346.92	5.31	-95.54
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2)O1	REAL300000440460	1	35	-2.0	-91.41	346.02	5.28	-86.13
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)=NN2)O1	REAL300000440461	0	38	-2.0	-108.97	363.86	6.10	-102.87
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)=C2)O1	REAL300000440461	1	38	-2.0	-98.46	362.96	6.08	-92.38
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=NN2)O1	REAL300000440462	0	37	-2.0	-100.73	362.61	5.56	-95.17
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=C2)O1	REAL300000440462	1	37	-2.0	-91.06	361.71	5.55	-85.51
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=NN2)O1	REAL300000440463	0	36	-2.0	-115.65	344.13	2.60	-113.05
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)O1	REAL300000440463	1	36	-2.0	-104.55	343.21	2.61	-101.94
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=NN2)O1	REAL300000440464	0	38	-2.0	-106.88	356.58	5.69	-101.19
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)O1	REAL300000440464	1	38	-2.0	-96.60	355.70	5.66	-90.94
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=NN2)O1	REAL300000440465	0	35	-2.0	-106.23	355.12	5.43	-100.80
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=C2)O1	REAL300000440465	1	35	-2.0	-96.52	354.23	5.41	-91.11
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=NN2)O1	REAL300000440466	0	38	-2.0	-112.53	344.49	5.53	-107.00
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)O1	REAL300000440466	1	38	-2.0	-102.55	343.55	5.52	-97.03
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=NN2)O1	REAL300000440467	0	38	-2.0	-114.82	359.25	5.55	-109.27
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=C2)O1	REAL300000440467	1	38	-2.0	-104.61	358.35	5.53	-99.08
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=NN2)O1	REAL300000440468	0	38	-2.0	-103.48	349.83	5.67	-97.81
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=C2)O1	REAL300000440468	1	38	-2.0	-93.94	348.93	5.65	-88.29
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=NN2)O1	REAL300000440469	0	41	-2.0	-120.71	371.22	6.06	-114.65
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=C2)O1	REAL300000440469	1	41	-2.0	-108.21	366.98	5.96	-102.25
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=NN2)O1	REAL300000440470	0	37	-2.0	-113.94	360.98	5.98	-107.96
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=C2)O1	REAL300000440470	1	37	-2.0	-104.69	360.09	5.97	-98.72
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=NN2)O1	REAL300000440471	0	35	-2.0	-104.80	346.17	5.02	-99.78
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=NN2)O1	REAL300000440472	0	41	-2.0	-116.70	368.89	6.27	-110.43
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=C2)O1	REAL300000440472	1	41	-2.0	-106.77	366.90	6.29	-100.48
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=NN2)O1	REAL300000440473	0	38	-2.0	-114.54	355.91	5.49	-109.05
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3Cl)=NN2)O1	REAL300000440474	0	38	-2.0	-113.48	366.18	6.03	-107.45
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3Cl)=C2)O1	REAL300000440474	1	38	-2.0	-102.53	365.28	6.02	-96.51
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=NN2)O1	REAL300000440475	0	38	-2.0	-121.31	359.45	5.59	-115.72
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=C(C)O3)=C2)C=C1C(=O)[O-]	REAL300000440476	0	41	-2.0	-118.20	368.38	6.08	-112.12
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=C(C)O3)=NN2)C=C1C(=O)[O-]	REAL300000440476	1	41	-2.0	-107.20	367.84	6.07	-101.13
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=C(C)O3)=C2)C=C1CC(=O)[O-]	REAL300000440477	0	42	-2.0	-117.65	384.88	5.03	-112.62
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=C(C)O3)=NN2)C=C1CC(=O)[O-]	REAL300000440477	1	42	-2.0	-106.87	383.99	5.01	-101.86
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)=NN2)O1	REAL300000440478	0	38	-2.0	-105.52	360.68	6.09	-99.43
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)=C2)O1	REAL300000440478	1	38	-2.0	-95.67	359.78	6.06	-89.61
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C)=C(Cl)C(C(=O)[O-])=C3)=NN2)O1	REAL300000440479	0	38	-2.0	-113.71	365.64	5.85	-107.86
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C)=C(Cl)C(C(=O)[O-])=C3)=C2)O1	REAL300000440479	1	38	-2.0	-103.24	364.74	5.84	-97.40
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=C(C)O3)=C2)C=C1C(=O)[O-]	REAL300000440480	0	39	-2.0	-115.88	362.44	5.12	-110.76
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=CC=C(C)O3)=NN2)C=C1C(=O)[O-]	REAL300000440480	1	39	-2.0	-105.28	361.46	5.09	-100.19
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)=NN2)O1	REAL300000440481	0	38	-2.0	-109.40	364.28	5.86	-103.54
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)=C2)O1	REAL300000440481	1	38	-2.0	-100.00	367.29	5.95	-94.05
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=NN2)O1	REAL300000440482	0	38	-2.0	-105.07	354.47	5.54	-99.53
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2)O1	REAL300000440482	1	38	-2.0	-93.71	349.52	5.42	-88.29
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=NN2)O1	REAL300000440483	0	38	-2.0	-114.43	353.96	5.74	-108.69
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=C2)O1	REAL300000440483	1	38	-2.0	-103.98	353.04	5.72	-98.26
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=NN2)O1	REAL300000440484	0	37	-2.0	-123.73	358.16	6.77	-116.96
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=C2)O1	REAL300000440484	1	37	-2.0	-113.71	357.24	6.74	-106.97
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=NN2)O1	REAL300000440485	0	35	-2.0	-120.59	338.08	4.94	-115.65
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=NN2)O1	REAL300000440486	0	38	-2.0	-107.69	355.58	5.47	-102.22
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=C2)O1	REAL300000440486	1	38	-2.0	-98.33	358.47	5.56	-92.77
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=NN2)O1	REAL300000440487	0	41	-2.0	-124.50	375.46	7.01	-117.49
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=C2)O1	REAL300000440487	1	41	-2.0	-113.51	374.55	7.00	-106.51
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=NN2)O1	REAL300000440488	0	34	-2.0	-113.81	330.63	3.03	-110.78
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)O1	REAL300000440488	1	34	-2.0	-102.92	329.72	2.99	-99.93
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C2=CC=C(C)O2)=C1	REAL300000440489	0	39	-2.0	-107.82	362.62	4.70	-103.12
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C2=CC=C(C)O2)=NN1	REAL300000440489	1	39	-2.0	-97.64	361.72	4.69	-92.95
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=NN2)O1	REAL300000440490	0	32	-2.0	-103.29	334.56	3.88	-99.41
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=NN2)O1	REAL300000440491	0	42	-2.0	-109.97	380.54	6.79	-103.18
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C2)O1	REAL300000440491	1	42	-2.0	-100.08	378.11	6.72	-93.36
CC1=CC=C(C2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=NN2)O1	REAL300000440492	0	42	-2.0	-114.13	379.85	6.78	-107.35
CC1=CC=C(C2=NNC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C2)O1	REAL300000440492	1	42	-2.0	-103.23	377.60	6.75	-96.48
CCC1=C(S(=O)(=O)[N-]C2=NNC(C3=CC=C(C)O3)=C2)C=C(C(=O)[O-])O1	REAL300000440493	0	38	-2.0	-109.29	356.54	4.90	-104.39
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=C(C)O3)=NN2)C=C(C(=O)[O-])O1	REAL300000440493	1	38	-2.0	-99.00	355.64	4.87	-94.13
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1N	REAL300000440494	1	36	-2.0	-102.53	333.52	3.92	-98.61
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1N	REAL300000440495	1	36	-2.0	-92.97	328.97	3.90	-89.07
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1N	REAL300000440496	1	36	-2.0	-104.81	328.99	3.89	-100.92
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1N	REAL300000440497	0	40	-2.0	-109.91	357.13	3.69	-106.22
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1N	REAL300000440498	1	40	-2.0	-92.52	360.44	5.19	-87.33
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1N	REAL300000440499	1	39	-2.0	-105.87	344.81	4.42	-101.45
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1N	REAL300000440500	0	36	-2.0	-100.48	342.06	4.47	-96.01
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1N	REAL300000440501	1	36	-2.0	-100.82	341.49	4.29	-96.53
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1N	REAL300000440502	1	42	-2.0	-107.87	361.65	5.24	-102.63
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1N	REAL300000440503	0	36	-2.0	-102.00	334.47	3.96	-98.04
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1N	REAL300000440504	1	42	-2.0	-91.80	372.56	5.47	-86.33
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1N	REAL300000440505	0	33	-2.0	-99.61	322.17	2.91	-96.70
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1N	REAL300000440506	1	39	-2.0	-105.85	344.41	4.68	-101.17
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1N	REAL300000440507	1	40	-2.0	-91.17	360.05	4.18	-86.99
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1N	REAL300000440508	0	37	-2.0	-103.28	335.63	3.24	-100.04
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1N	REAL300000440509	1	40	-2.0	-106.60	352.76	2.73	-103.87
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1N	REAL300000440510	0	36	-2.0	-95.59	338.09	3.58	-92.01
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1N	REAL300000440511	1	42	-2.0	-106.89	361.37	5.21	-101.68
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1N	REAL300000440512	0	33	-2.0	-100.79	320.64	2.93	-97.86
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1N	REAL300000440513	1	40	-2.0	-110.70	356.27	3.96	-106.74
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1N	REAL300000440514	1	45	-2.0	-107.43	382.88	5.90	-101.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)OC)=C1N	REAL300000440515	1	42	-2.0	-104.34	357.09	5.64	-98.70
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1N	REAL300000440516	0	43	-2.0	-110.39	379.40	4.46	-105.93
COC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1N	REAL300000440517	0	39	-2.0	-108.87	357.73	4.40	-104.47
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1N	REAL300000440517	1	38	-3.0	-180.19	357.39	4.46	-175.73
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1N	REAL300000440518	1	43	-2.0	-109.76	373.23	5.79	-103.97
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1N	REAL300000440519	0	36	-2.0	-99.10	331.99	3.03	-96.07
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1N	REAL300000440520	0	40	-2.0	-105.63	357.90	2.98	-102.65
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1N	REAL300000440521	1	43	-2.0	-91.63	381.01	4.86	-86.77
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1N	REAL300000440522	1	39	-2.0	-96.78	349.69	4.71	-92.07
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1N	REAL300000440523	1	40	-2.0	-90.79	367.16	4.22	-86.57
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2N)C=C1C(=O)[O-]	REAL300000440524	1	43	-2.0	-111.33	379.00	4.85	-106.48
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1N	REAL300000440525	0	36	-2.0	-102.40	338.67	3.78	-98.62
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1N	REAL300000440526	0	36	-2.0	-90.53	342.04	4.46	-86.07
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1N	REAL300000440527	1	36	-2.0	-92.65	333.50	3.93	-88.72
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1N	REAL300000440528	0	33	-2.0	-94.55	321.25	3.02	-91.53
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1N	REAL300000440529	0	36	-2.0	-96.05	336.26	3.94	-92.11
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1N	REAL300000440530	0	39	-2.0	-103.34	354.73	4.60	-98.74
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1N	REAL300000440531	0	36	-2.0	-92.31	334.45	3.96	-88.35
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1N	REAL300000440532	1	36	-2.0	-90.63	341.47	4.29	-86.34
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1N	REAL300000440533	1	39	-2.0	-98.42	358.43	5.09	-93.33
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1N	REAL300000440534	1	36	-2.0	-94.59	340.67	3.97	-90.62
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1N	REAL300000440535	0	38	-2.0	-90.30	357.17	4.56	-85.74
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1N	REAL300000440536	0	37	-2.0	-104.57	338.70	1.60	-102.97
COC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1N	REAL300000440536	1	37	-2.0	-105.41	332.99	2.43	-102.98
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1N	REAL300000440537	1	39	-2.0	-96.90	351.16	4.67	-92.23
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1N	REAL300000440538	1	39	-2.0	-101.13	338.83	4.52	-96.61
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1N	REAL300000440539	1	39	-2.0	-103.87	354.67	4.53	-99.34
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1N	REAL300000440540	1	39	-2.0	-93.19	344.40	4.66	-88.53
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1N	REAL300000440541	1	42	-2.0	-107.92	363.16	4.96	-102.96
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1N	REAL300000440542	0	38	-2.0	-103.66	355.53	4.99	-98.67
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1N	REAL300000440543	0	36	-2.0	-93.98	340.72	4.02	-89.96
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1N	REAL300000440544	1	42	-2.0	-105.50	362.50	5.30	-100.20
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1N	REAL300000440545	0	39	-2.0	-104.45	354.17	4.60	-99.85
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1N	REAL300000440546	0	39	-2.0	-102.18	360.77	5.03	-97.15
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1N	REAL300000440547	0	39	-2.0	-109.44	354.02	4.58	-104.86
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2N)C=C1C(=O)[O-]	REAL300000440548	1	42	-2.0	-106.58	364.15	5.07	-101.51
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1N	REAL300000440549	1	43	-2.0	-107.18	379.45	4.02	-103.16
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1N	REAL300000440550	1	39	-2.0	-94.65	355.72	5.08	-89.57
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1N	REAL300000440551	1	39	-2.0	-102.54	361.06	4.84	-97.70
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2N)C=C1C(=O)[O-]	REAL300000440552	0	40	-2.0	-104.61	357.80	4.08	-100.53
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1N	REAL300000440553	1	39	-2.0	-98.54	359.57	4.84	-93.70
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1N	REAL300000440554	1	39	-2.0	-92.88	344.79	4.43	-88.45
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1N	REAL300000440555	1	39	-2.0	-103.25	348.94	4.70	-98.55
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1N	REAL300000440556	0	38	-2.0	-111.81	352.73	5.75	-106.06
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1N	REAL300000440557	0	36	-2.0	-108.65	332.62	3.92	-104.73
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1N	REAL300000440558	1	39	-2.0	-96.90	350.87	4.44	-92.46
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1N	REAL300000440559	0	35	-2.0	-102.00	325.97	1.96	-100.04
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1N	REAL300000440560	0	40	-2.0	-96.84	357.18	3.69	-93.15
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1N	REAL300000440561	0	33	-2.0	-93.25	329.09	2.88	-90.37
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1N	REAL300000440562	1	43	-2.0	-99.19	375.11	5.77	-93.42
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1N	REAL300000440563	1	43	-2.0	-101.97	373.07	5.75	-96.22
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2N)C=C(C(=O)[O-])O1	REAL300000440564	0	39	-2.0	-98.99	351.02	3.88	-95.11
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)C=CC2=N1	REAL300000440565	0	40	-2.0	-83.26	366.04	3.91	-79.35
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000440566	1	33	-2.0	-98.25	314.11	5.35	-92.90
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN2N=C(C)N=C2C=C1	REAL300000440567	0	41	-2.0	-98.75	369.19	6.40	-92.35
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC2=N1	REAL300000440568	1	33	-2.0	-89.05	309.56	5.33	-83.72
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC2=N1	REAL300000440569	0	33	-2.0	-100.05	309.57	5.32	-94.73
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN2N=C(C)N=C2C=C1	REAL300000440570	0	37	-2.0	-104.25	337.71	5.12	-99.13
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=CC2=N1	REAL300000440571	0	37	-2.0	-88.91	341.03	6.61	-82.30
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000440572	1	36	-2.0	-100.95	325.59	5.85	-95.10
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=CC2=N1	REAL300000440573	0	33	-2.0	-95.49	322.64	5.90	-89.59
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000440574	0	33	-2.0	-96.30	322.08	5.71	-90.59
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=CC2=N1	REAL300000440575	1	39	-2.0	-102.20	341.97	6.63	-95.57
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=CC2=N1	REAL300000440576	0	33	-2.0	-96.47	315.05	5.38	-91.09
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=CC2=N1	REAL300000440577	0	39	-2.0	-88.10	353.15	6.89	-81.21
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC2=N1	REAL300000440578	0	30	-2.0	-94.84	302.76	4.33	-90.51
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=CC2=N1	REAL300000440579	1	36	-2.0	-100.53	325.00	6.10	-94.43
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=CC2=N1	REAL300000440580	1	37	-2.0	-87.53	340.65	5.59	-81.94
CC1=NN2C=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000440581	0	34	-2.0	-98.74	316.22	4.66	-94.08
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C=CC2=N1	REAL300000440582	1	37	-2.0	-101.25	333.78	4.14	-97.11
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=CC2=N1	REAL300000440583	0	33	-2.0	-91.24	318.70	5.00	-86.24
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=CC2=N1	REAL300000440584	1	39	-2.0	-101.67	340.64	6.66	-95.01
CC1=NN2C=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC2=N1	REAL300000440585	0	30	-2.0	-96.27	301.22	4.35	-91.92
COC1=CC(S(=O)(=O)[N-]C2=CN3N=C(C)N=C3C=C2)=CC(C(=O)[O-])=C1OC	REAL300000440586	0	41	-2.0	-100.50	367.88	5.13	-95.37
COC1=CC=C(S(=O)(=O)[N-]C2=CN3N=C(C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000440587	1	37	-2.0	-105.94	336.86	5.39	-100.55
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)C=CC2=N1	REAL300000440588	0	43	-2.0	-103.64	364.81	7.95	-95.69
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)C=CC2=N1	REAL300000440589	0	42	-2.0	-102.11	363.48	7.33	-94.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN2N=C(C)N=C2C=C1	REAL300000440590	0	39	-2.0	-99.10	339.71	7.03	-92.07
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN2N=C(C)N=C2C=C1	REAL300000440591	0	40	-2.0	-105.10	360.01	5.88	-99.22
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=CC2=N1	REAL300000440592	0	35	-3.0	-173.39	337.97	5.87	-167.52
CC1=NN2C=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=CC2=N1	REAL300000440592	1	36	-2.0	-122.86	333.78	5.45	-117.41
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=CC2=N1	REAL300000440593	0	40	-2.0	-104.00	353.82	7.21	-96.79
CC1=NN2C=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=CC2=N1	REAL300000440594	0	33	-2.0	-94.52	312.58	4.45	-90.07
CC1=NN2C=C([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000440595	0	39	-2.0	-104.81	351.74	5.09	-99.72
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=CC2=N1	REAL300000440596	0	37	-2.0	-101.44	338.56	4.41	-97.03
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)C=CC2=N1	REAL300000440597	1	41	-2.0	-87.68	362.49	5.90	-81.78
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=CC2=N1	REAL300000440598	0	33	-2.0	-92.89	327.16	5.92	-86.97
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)C=CC2=N1	REAL300000440599	1	37	-2.0	-86.40	356.67	6.13	-80.27
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(C)=C3)C=CC2=N1	REAL300000440600	1	40	-2.0	-87.92	360.73	6.30	-81.62
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=CC2=N1	REAL300000440601	0	36	-2.0	-91.88	330.28	6.14	-85.74
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=CC2=N1	REAL300000440602	0	37	-2.0	-87.56	346.86	5.67	-81.89
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN3N=C(C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000440603	1	40	-2.0	-106.60	358.71	6.29	-100.31
CC1=NN2C=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=CC2=N1	REAL300000440604	0	33	-2.0	-97.40	318.17	5.21	-92.19
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=CC2=N1	REAL300000440605	0	33	-2.0	-86.87	322.62	5.89	-80.98
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=CC2=N1	REAL300000440606	0	33	-2.0	-88.98	314.10	5.36	-83.62
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC2=N1	REAL300000440607	0	30	-2.0	-90.26	301.84	4.44	-85.82
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=CC2=N1	REAL300000440608	0	33	-2.0	-91.54	315.98	5.39	-86.15
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=CC2=N1	REAL300000440609	0	36	-2.0	-97.73	335.33	6.02	-91.71
COC1=CC(S(=O)(=O)[N-]C2=CN3N=C(C)N=C3C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000440610	0	37	-2.0	-91.63	349.88	5.95	-85.68
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=CC2=N1	REAL300000440611	0	33	-2.0	-88.13	315.03	5.39	-82.74
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC2=N1	REAL300000440612	0	33	-2.0	-86.77	322.07	5.72	-81.05
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)C=CC2=N1	REAL300000440613	0	36	-2.0	-93.41	339.01	6.52	-86.89
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)C=CC2=N1	REAL300000440614	0	41	-2.0	-85.97	373.32	6.73	-79.24
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000440615	0	33	-2.0	-90.42	320.39	5.41	-85.01
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=CC2=N1	REAL300000440616	0	35	-2.0	-86.20	337.76	5.99	-80.21
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=CC2=N1	REAL300000440617	0	34	-2.0	-99.27	319.29	3.03	-96.24
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=CC2=N1	REAL300000440618	0	36	-2.0	-92.89	331.75	6.08	-86.81
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000440619	0	33	-2.0	-91.66	330.28	5.85	-85.81
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=CC2=N1	REAL300000440620	1	36	-2.0	-97.11	319.62	5.95	-91.16
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000440621	1	36	-2.0	-99.42	334.40	5.97	-93.45
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=CC2=N1	REAL300000440622	1	36	-2.0	-89.35	324.98	6.09	-83.26
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000440623	1	39	-2.0	-103.99	347.07	6.52	-97.47
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=CC2=N1	REAL300000440624	0	35	-2.0	-100.08	336.13	6.42	-93.66
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=CC2=N1	REAL300000440625	0	33	-2.0	-88.87	321.33	5.45	-83.42
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=CC2=N1	REAL300000440626	1	39	-2.0	-101.26	344.05	6.71	-94.55
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=CC2=N1	REAL300000440627	0	36	-2.0	-98.59	334.89	6.02	-92.57
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3Cl)C=CC2=N1	REAL300000440628	0	36	-2.0	-97.03	341.34	6.47	-90.56
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=CC2=N1	REAL300000440629	0	36	-2.0	-105.12	334.59	6.01	-99.11
CCC1=CC=C(S(=O)(=O)[N-]C2=CN3N=C(C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000440630	1	39	-2.0	-101.50	343.81	6.50	-95.00
COC1=CC=C(S(=O)(=O)[N-]C2=CN3N=C(C)N=C3C=C2)C=C1CC(=O)[O-]	REAL300000440631	1	40	-2.0	-101.30	360.04	5.44	-95.86
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)C=CC2=N1	REAL300000440632	0	36	-2.0	-90.60	335.84	6.50	-84.10
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C)=C(Cl)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000440633	0	36	-2.0	-97.89	340.79	6.28	-91.61
CCN1C=C(S(=O)(=O)[N-]C2=CN3N=C(C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000440634	0	37	-2.0	-99.89	337.59	5.53	-94.36
CC1=NN2C=C([N-]S(=O)(=O)C3=C(C)C=C(C)C(CC(=O)[O-])=C3C)C=CC2=N1	REAL300000440635	1	45	-2.0	-101.15	374.72	8.18	-92.97
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000440636	0	36	-2.0	-94.79	343.31	6.39	-88.40
CC1=NN2C=C([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)C=CC2=N1	REAL300000440637	0	42	-2.0	-97.55	359.02	7.45	-90.10
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN3N=C(C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000440638	0	37	-2.0	-101.05	349.90	5.95	-95.10
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=CC2=N1	REAL300000440639	1	36	-2.0	-88.95	325.58	5.86	-83.09
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])C=CC2=N1	REAL300000440640	0	38	-2.0	-93.94	352.84	7.50	-86.44
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=CC2=N1	REAL300000440641	1	36	-2.0	-98.61	329.53	6.13	-92.48
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=CC2=N1	REAL300000440642	0	35	-2.0	-107.88	333.31	7.17	-100.71
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=CC2=N1	REAL300000440643	0	33	-2.0	-104.53	313.23	5.34	-99.19
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=CC2=N1	REAL300000440644	0	36	-2.0	-93.12	334.51	6.00	-87.12
CC1=NN2C=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=CC2=N1	REAL300000440645	0	39	-2.0	-107.83	350.61	7.44	-100.39
CC1=NN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC2=N1	REAL300000440646	0	32	-2.0	-96.38	306.56	3.38	-93.00
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN2N=C(C)N=C2C=C1	REAL300000440647	0	37	-2.0	-92.54	337.78	5.11	-87.43
CC1=NN2C=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=CC2=N1	REAL300000440648	0	30	-2.0	-88.81	309.73	4.29	-84.52
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=CC2=N1	REAL300000440649	0	40	-2.0	-94.77	355.70	7.19	-87.58
CC1=NN2C=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=CC2=N1	REAL300000440650	0	40	-2.0	-98.49	355.01	7.19	-91.30
CCC1=C(S(=O)(=O)[N-]C2=CN3N=C(C)N=C3C=C2)C=C(C(=O)[O-])O1	REAL300000440651	0	36	-2.0	-94.37	331.71	5.30	-89.07
CNS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000440655	0	35	-2.0	-105.32	348.17	-0.44	-105.76
CNS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000440657	1	39	-2.0	-107.44	361.65	-0.10	-107.54
CNS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000440658	1	35	-2.0	-105.69	346.63	-0.43	-106.12
CNS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000440659	0	38	-2.0	-103.32	358.03	-0.32	-103.64
CNS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000440660	0	35	-2.0	-99.24	347.25	-0.34	-99.58
CNS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000440665	0	37	-2.0	-107.62	351.19	-1.34	-108.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=CC=C1F	REAL300000440669	0	34	-2.0	-113.26	324.84	6.72	-106.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1	REAL300000440670	0	34	-2.0	-103.57	320.29	6.70	-96.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C1	REAL300000440671	0	34	-2.0	-115.75	320.30	6.69	-109.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C1=NN=CN1	REAL300000440672	0	38	-2.0	-118.69	348.44	6.49	-112.20
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C1=NNC=N1	REAL300000440672	1	38	-2.0	-116.06	350.91	6.29	-109.77
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1	REAL300000440673	0	38	-2.0	-101.43	351.77	7.99	-93.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1C(=O)[O-]	REAL300000440674	0	37	-2.0	-117.01	336.32	7.23	-109.78
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C1	REAL300000440675	0	34	-2.0	-109.25	333.37	7.26	-101.99
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)=C1	REAL300000440675	1	34	-2.0	-106.37	335.84	7.05	-99.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=CC=C1Cl	REAL300000440676	0	34	-2.0	-111.57	332.82	7.09	-104.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C1C	REAL300000440677	0	40	-2.0	-116.26	352.29	8.02	-108.24
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C1	REAL300000440678	0	34	-2.0	-111.67	325.76	6.76	-104.91
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)=C1	REAL300000440678	1	34	-2.0	-108.42	328.24	6.55	-101.87
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1	REAL300000440679	0	40	-2.0	-100.45	363.87	8.27	-92.18
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C1	REAL300000440680	0	31	-2.0	-110.50	313.49	5.71	-104.79
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)=C1	REAL300000440680	1	31	-2.0	-105.33	315.96	5.50	-99.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C1=NN=CN1	REAL300000440681	0	37	-2.0	-114.01	335.73	7.47	-106.54
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1	REAL300000440682	0	38	-2.0	-100.30	351.38	6.97	-93.33
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1C(=O)[O-]	REAL300000440683	0	35	-2.0	-114.43	326.95	6.05	-108.38
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)C=C1C(=O)[O-]	REAL300000440683	1	35	-2.0	-108.94	329.42	5.85	-103.09
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C1=NN=CN1	REAL300000440684	1	38	-2.0	-114.03	344.50	5.50	-108.53
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C1	REAL300000440685	0	34	-2.0	-106.75	329.41	6.38	-100.37
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)=C1	REAL300000440685	1	34	-2.0	-101.24	331.88	6.17	-95.07
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1C(=O)[O-]	REAL300000440686	0	40	-2.0	-115.28	351.74	8.00	-107.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=CS1	REAL300000440687	0	31	-2.0	-111.63	311.95	5.74	-105.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)=CS1	REAL300000440687	1	31	-2.0	-106.68	314.42	5.52	-101.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1C(=O)[O-]	REAL300000440688	0	38	-2.0	-121.68	347.59	6.76	-114.92
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C1=NN=CN1	REAL300000440689	0	40	-2.0	-110.88	345.56	8.52	-102.36
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C(C(=O)[O-])O1	REAL300000440690	0	34	-2.0	-108.66	323.31	5.84	-102.82
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)C=C(C(=O)[O-])O1	REAL300000440690	1	34	-2.0	-104.46	325.77	5.63	-98.83
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C1	REAL300000440691	0	38	-2.0	-118.90	349.22	5.79	-113.11
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)=C1	REAL300000440691	1	38	-2.0	-110.85	351.69	5.58	-105.27
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C1=NN=CN1	REAL300000440692	0	37	-2.0	-105.58	341.02	7.51	-98.07
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C(C(=O)[O-])S1	REAL300000440693	0	34	-2.0	-111.05	328.92	6.58	-104.47
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)C=C(C(=O)[O-])S1	REAL300000440693	1	34	-2.0	-107.81	332.46	6.37	-101.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C(Cl)=C1	REAL300000440694	0	34	-2.0	-100.62	333.35	7.26	-93.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)C(Cl)=C1	REAL300000440694	1	34	-2.0	-95.51	335.82	7.05	-88.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1F	REAL300000440695	0	34	-2.0	-103.19	324.84	6.73	-96.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)S1	REAL300000440696	0	31	-2.0	-105.52	312.55	5.82	-99.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)S1	REAL300000440696	1	31	-2.0	-100.13	315.03	5.62	-94.51
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C1	REAL300000440697	0	34	-2.0	-106.97	326.71	6.76	-100.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C1F	REAL300000440698	0	37	-2.0	-113.25	346.06	7.40	-105.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)=C1F	REAL300000440698	1	37	-2.0	-109.95	348.53	7.19	-102.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C(F)=C1	REAL300000440699	0	34	-2.0	-103.35	325.76	6.77	-96.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)C(F)=C1	REAL300000440699	1	34	-2.0	-97.85	328.23	6.56	-91.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1Cl	REAL300000440700	0	34	-2.0	-101.16	332.80	7.10	-94.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=CC(F)=C1F	REAL300000440701	0	34	-2.0	-105.24	331.12	6.79	-98.45
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C1	REAL300000440702	0	35	-2.0	-111.84	330.01	4.40	-107.44
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1	REAL300000440703	0	37	-2.0	-105.28	342.47	7.47	-97.81
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C1=NN=CN1	REAL300000440704	0	37	-2.0	-113.40	330.34	7.33	-106.07
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=CC(C(=O)[O-])=C1F	REAL300000440705	0	37	-2.0	-114.89	345.14	7.35	-107.54
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C1=NN=CN1	REAL300000440706	0	37	-2.0	-103.10	335.71	7.46	-95.64
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=CC(C(=O)[O-])=C1C	REAL300000440707	0	40	-2.0	-119.15	353.18	7.76	-111.39
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C1	REAL300000440708	0	34	-2.0	-104.18	332.03	6.82	-97.36
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)=C1	REAL300000440708	1	34	-2.0	-100.29	334.50	6.62	-93.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C(C)=C1C(=O)[O-]	REAL300000440709	0	40	-2.0	-117.82	354.78	8.07	-109.75
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1C(=O)[O-]	REAL300000440710	0	37	-2.0	-112.89	341.77	7.29	-105.60
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)C=C1C(=O)[O-]	REAL300000440710	1	37	-2.0	-110.71	348.09	7.19	-103.52
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C1	REAL300000440711	0	37	-2.0	-122.78	345.33	7.39	-115.39
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)=C1	REAL300000440711	1	37	-2.0	-114.91	347.80	7.18	-107.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1C(=O)[O-]	REAL300000440712	0	40	-2.0	-117.74	354.62	7.88	-109.86
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1C(=O)[O-]	REAL300000440713	0	38	-2.0	-115.70	348.33	6.91	-108.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)C=C1C(=O)[O-]	REAL300000440713	1	38	-2.0	-110.09	350.90	6.70	-103.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=CC=C1C(=O)[O-]	REAL300000440714	0	37	-2.0	-103.78	336.31	7.24	-96.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C1=NN=CN1	REAL300000440715	0	37	-2.0	-111.43	340.25	7.50	-103.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C1F	REAL300000440716	0	34	-2.0	-121.71	323.94	6.72	-114.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)=C1F	REAL300000440716	1	34	-2.0	-114.16	326.39	6.52	-107.64
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C1C(=O)[O-]	REAL300000440717	0	37	-2.0	-108.89	345.25	7.37	-101.52
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C1	REAL300000440718	0	33	-2.0	-113.95	316.51	4.82	-109.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)=C1	REAL300000440718	1	33	-2.0	-108.44	319.76	4.54	-103.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C1=NN=CN1	REAL300000440719	0	38	-2.0	-107.04	348.50	6.49	-100.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C1=NNC=N1	REAL300000440719	1	38	-2.0	-102.00	350.97	6.29	-95.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)=C(Cl)O1	REAL300000440720	0	31	-2.0	-103.47	320.40	5.67	-97.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)=C(Cl)O1	REAL300000440720	1	31	-2.0	-98.75	322.88	5.46	-93.29
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NN=CN2)C=C(C(=O)[O-])O1	REAL300000440721	0	37	-2.0	-106.99	338.43	6.81	-100.18
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C2=NNC=N2)C=C(C(=O)[O-])O1	REAL300000440721	1	37	-2.0	-103.09	340.64	6.81	-96.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(Cl)C=C1F	REAL300000440725	1	32	-2.0	-104.43	331.93	5.86	-98.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2F)=C1	REAL300000440729	1	28	-2.0	-96.38	309.26	6.13	-90.25
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2F)=C1	REAL300000440731	0	25	-2.0	-93.99	296.96	5.09	-88.90
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2F)=C1	REAL300000440736	1	28	-2.0	-91.51	308.47	5.84	-85.67
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2F)C=C(C(=O)[O-])O1	REAL300000440741	1	28	-2.0	-95.44	302.36	5.29	-90.15
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2F)=C1	REAL300000440742	1	32	-2.0	-101.76	328.34	5.23	-96.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2F)S1	REAL300000440747	1	25	-2.0	-89.15	296.04	5.19	-83.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2F)=C1F	REAL300000440749	1	31	-2.0	-97.75	329.53	6.76	-90.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2F)C(F)=C1	REAL300000440750	1	28	-2.0	-86.91	309.24	6.14	-80.77
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(Cl)=C(Cl)C=C2F)=C1	REAL300000440752	0	29	-2.0	-102.33	309.12	4.12	-98.21
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2F)C=C1C(=O)[O-]	REAL300000440759	1	31	-2.0	-97.44	325.25	6.67	-90.77
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2F)=C1	REAL300000440760	1	31	-2.0	-105.05	324.40	6.83	-98.22
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2F)=C1F	REAL300000440765	1	28	-2.0	-104.40	302.98	6.18	-98.22
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2F)=C1	REAL300000440767	0	27	-2.0	-98.31	296.33	4.21	-94.10
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(Cl)C=C1F	REAL300000440768	1	32	-2.0	-91.65	331.99	5.86	-85.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2F)=C(Cl)O1	REAL300000440769	0	25	-2.0	-87.76	303.89	5.03	-82.73
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(Cl)C=C2F)C=C(C(=O)[O-])O1	REAL300000440770	1	31	-2.0	-95.53	321.48	6.14	-89.39
CN(C1=CC=C(Cl)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000440804	0	34	-2.0	-105.41	344.95	7.68	-97.73
CN(C1=CC=C(Cl)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000440826	0	32	-2.0	-102.26	314.57	5.79	-96.47
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000440858	0	42	-2.0	-91.30	366.24	5.34	-85.96
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000440859	0	35	-2.0	-108.52	314.31	6.79	-101.73
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1OC	REAL300000440860	0	43	-2.0	-108.85	369.41	7.73	-101.12
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000440861	0	35	-2.0	-98.66	309.75	6.76	-91.90
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000440862	0	35	-2.0	-111.23	309.79	6.75	-104.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1OC	REAL300000440863	0	39	-2.0	-116.64	337.93	6.44	-110.20
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000440864	0	39	-2.0	-97.44	341.23	8.05	-89.39
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000440865	0	38	-2.0	-112.54	325.80	7.28	-105.26
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000440866	0	35	-2.0	-106.50	322.86	7.31	-99.19
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000440867	0	35	-2.0	-107.04	322.29	7.14	-99.90
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000440868	0	35	-2.0	-102.18	335.35	7.68	-94.50
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000440869	0	41	-2.0	-114.02	342.18	8.02	-106.00
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000440870	0	35	-2.0	-108.61	315.27	6.82	-101.79
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000440871	0	41	-2.0	-96.81	353.34	8.34	-88.47
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000440872	0	32	-2.0	-105.71	302.98	5.80	-99.91
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000440873	0	38	-2.0	-111.89	325.23	7.49	-104.40
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000440874	0	39	-2.0	-96.23	340.84	7.03	-89.20
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000440875	0	36	-2.0	-109.71	316.43	6.13	-103.58
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000440876	0	39	-2.0	-112.19	333.99	5.52	-106.67
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000440877	0	35	-2.0	-101.82	318.92	6.47	-95.35
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000440878	0	41	-2.0	-113.25	341.25	8.02	-105.23
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000440879	0	32	-2.0	-106.86	301.43	5.81	-101.05
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000440880	0	43	-2.0	-112.16	368.09	6.57	-105.59
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC)C=C1C(=O)[O-]	REAL300000440881	0	39	-2.0	-117.31	337.07	6.81	-110.50
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000440882	0	45	-2.0	-116.23	365.03	9.35	-106.88
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000440883	0	44	-2.0	-114.01	363.68	8.74	-105.27
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1OC	REAL300000440884	0	41	-2.0	-109.83	336.32	8.28	-101.55
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1OC	REAL300000440885	0	42	-2.0	-117.03	360.22	7.21	-109.82
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000440886	0	37	-3.0	-188.70	338.19	7.32	-181.38
COC1=CC=CC(C)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000440886	1	38	-2.0	-110.57	344.63	6.70	-103.87
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000440887	0	42	-2.0	-116.54	354.04	8.64	-107.90
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000440888	0	35	-2.0	-105.30	312.80	5.90	-99.40
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000440889	0	41	-2.0	-116.66	351.95	6.53	-110.13
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000440890	0	39	-2.0	-112.05	338.76	5.73	-106.32
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000440891	0	43	-2.0	-96.97	362.70	7.35	-89.62
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000440892	0	35	-2.0	-101.02	337.46	7.60	-93.42
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000440893	0	35	-2.0	-103.16	327.39	7.32	-95.84
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000440894	0	39	-2.0	-94.64	356.88	7.57	-87.07
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000440895	0	42	-2.0	-96.75	360.94	7.74	-89.01
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000440896	0	45	-2.0	-95.10	389.53	8.00	-87.10
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000440897	0	38	-2.0	-102.57	330.49	7.52	-95.05
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000440898	0	48	-2.0	-96.52	403.37	8.67	-87.85
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000440899	0	39	-2.0	-95.59	347.07	7.09	-88.50
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC)C=C1C(=O)[O-]	REAL300000440900	0	42	-2.0	-118.02	358.91	7.73	-110.29
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000440901	0	35	-2.0	-108.34	318.39	6.63	-101.71
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000440902	0	35	-2.0	-100.38	338.01	7.76	-92.62
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000440903	0	35	-2.0	-95.81	322.84	7.30	-88.51
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000440904	0	35	-2.0	-98.12	314.32	6.79	-91.33
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000440905	0	32	-2.0	-100.59	302.06	5.92	-94.67
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000440906	0	35	-2.0	-102.18	316.20	6.81	-95.37
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000440907	0	38	-2.0	-110.26	335.53	7.45	-102.81
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=C(Cl)C=C(C(=O)[O-])C(OC)=C1	REAL300000440908	0	39	-2.0	-100.62	350.10	7.35	-93.27
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000440909	0	35	-2.0	-98.21	315.26	6.83	-91.38
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000440910	0	35	-2.0	-96.11	322.29	7.15	-88.96
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000440911	0	38	-2.0	-104.37	339.23	7.91	-96.46
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000440912	0	43	-2.0	-93.99	373.51	8.17	-85.82
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000440913	0	35	-2.0	-100.13	320.60	6.85	-93.28
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000440914	0	37	-2.0	-96.21	337.97	7.42	-88.79
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000440915	0	36	-2.0	-110.77	319.51	4.36	-106.41
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000440916	0	38	-2.0	-102.21	331.94	7.53	-94.68
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000440917	0	35	-2.0	-101.66	330.49	7.29	-94.37
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000440918	0	38	-2.0	-107.11	319.83	7.34	-99.77
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000440919	0	38	-2.0	-110.15	334.62	7.40	-102.75
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000440920	0	38	-2.0	-98.67	325.21	7.48	-91.19
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000440921	0	41	-2.0	-116.01	347.28	7.95	-108.06
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000440922	0	37	-2.0	-109.19	336.36	7.84	-101.35
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000440923	0	35	-2.0	-100.39	321.55	6.88	-93.51
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000440924	0	41	-2.0	-111.28	344.27	8.09	-103.19
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000440925	0	38	-2.0	-111.06	335.10	7.45	-103.61
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000440926	0	38	-2.0	-108.41	341.58	7.87	-100.54
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000440927	0	38	-2.0	-116.33	334.83	7.44	-108.89
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC)C=C1C(=O)[O-]	REAL300000440928	0	41	-2.0	-113.42	343.75	7.93	-105.49
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC)C=C1CC(=O)[O-]	REAL300000440929	0	42	-2.0	-113.66	360.24	6.88	-106.78
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000440930	0	38	-2.0	-101.26	340.32	7.96	-93.30
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000440931	0	38	-2.0	-95.06	339.91	7.55	-87.51
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000440932	0	38	-2.0	-109.19	341.00	7.71	-101.48
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC)C=C1C(=O)[O-]	REAL300000440933	0	39	-2.0	-111.06	337.80	7.01	-104.05
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000440934	0	35	-2.0	-99.00	335.38	7.31	-91.69
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000440935	0	38	-2.0	-105.93	343.52	7.83	-98.10
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000440936	0	44	-2.0	-107.17	357.10	8.71	-98.46
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=C(Cl)C=C(OC)C(C(=O)[O-])=C1	REAL300000440937	0	39	-2.0	-112.21	350.12	7.37	-104.84
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000440938	0	38	-2.0	-98.88	325.79	7.29	-91.59
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000440939	0	40	-2.0	-102.31	353.04	8.75	-93.56
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000440940	0	38	-2.0	-109.17	329.74	7.52	-101.65
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000440941	0	37	-2.0	-117.53	333.52	8.46	-109.07
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000440942	0	35	-2.0	-115.25	313.44	6.78	-108.47
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000440943	0	38	-2.0	-104.10	334.72	7.42	-96.68
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000440944	0	41	-2.0	-120.01	350.82	8.88	-111.13
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000440945	0	34	-2.0	-109.43	306.00	4.91	-104.52
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000440946	0	39	-2.0	-102.87	338.00	6.44	-96.43
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000440947	0	32	-2.0	-99.20	309.94	5.75	-93.45
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000440948	0	42	-2.0	-105.09	355.91	8.64	-96.45
COC1=CC=CC(C)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000440949	0	42	-2.0	-107.75	355.22	8.64	-99.11
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2OC)C=C(C(=O)[O-])O1	REAL300000440950	0	38	-2.0	-105.06	329.91	6.68	-98.38
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000440951	0	41	-2.0	-109.22	361.20	6.16	-103.06
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1CCCC1	REAL300000440952	0	41	-2.0	-99.25	356.63	6.14	-93.11
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000440953	0	41	-2.0	-111.97	356.66	6.13	-105.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C2CCCC2)N=C1	REAL300000440954	0	45	-2.0	-118.12	384.80	5.93	-112.19
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=NN1C1CCCC1	REAL300000440955	0	45	-2.0	-98.76	388.11	7.43	-91.33
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000440956	0	44	-2.0	-113.06	372.68	6.66	-106.40
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=NN1C1CCCC1	REAL300000440957	0	41	-2.0	-108.04	369.73	6.68	-101.36
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000440958	0	41	-2.0	-107.62	369.17	6.52	-101.10
CC1=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000440959	0	47	-2.0	-115.72	389.32	7.48	-108.24
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=NN1C1CCCC1	REAL300000440960	0	41	-2.0	-109.63	362.13	6.20	-103.43
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=NN1C1CCCC1	REAL300000440961	0	47	-2.0	-98.23	400.23	7.71	-90.52
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C1CCCC1	REAL300000440962	0	38	-2.0	-106.12	349.85	5.16	-100.96
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NN1C1CCCC1	REAL300000440963	0	44	-2.0	-113.55	372.09	6.92	-106.63
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=NN1C1CCCC1	REAL300000440964	0	45	-2.0	-97.44	387.72	6.42	-91.02
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000440965	0	42	-2.0	-110.26	363.31	5.49	-104.77
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=NN1C1CCCC1	REAL300000440966	0	45	-2.0	-114.27	380.44	4.96	-109.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)N(C3CCCC3)N=C2)=C1	REAL300000440967	0	41	-2.0	-102.06	365.77	5.81	-96.25
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000440968	0	47	-2.0	-116.16	392.11	7.55	-108.61
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000440969	0	38	-2.0	-107.47	348.31	5.16	-102.31
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000440970	0	45	-2.0	-117.78	383.95	6.20	-111.58
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=NN1C1CCCC1	REAL300000440971	0	50	-2.0	-115.71	410.56	8.15	-107.56
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C2CCCC2)N=C1	REAL300000440972	0	47	-2.0	-111.92	386.78	7.85	-104.07
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C2CCCC2)N=C1	REAL300000440973	0	48	-2.0	-118.10	407.09	6.70	-111.40
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000440974	0	43	-3.0	-186.80	385.06	6.70	-180.10
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=NN1C1CCCC1	REAL300000440975	0	48	-2.0	-117.78	400.94	8.03	-109.75
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3CCCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000440976	0	41	-2.0	-106.13	359.67	5.28	-100.85
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=NN1C1CCCC1	REAL300000440977	0	45	-2.0	-111.97	385.57	5.22	-106.75
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=NN1C1CCCC1	REAL300000440978	0	48	-2.0	-97.88	407.81	7.11	-90.77
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=NN1C1CCCC1	REAL300000440979	0	44	-2.0	-103.80	377.37	6.95	-96.85
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=NN1C1CCCC1	REAL300000440980	0	45	-2.0	-96.81	393.96	6.47	-90.34
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000440981	0	48	-2.0	-118.39	405.80	7.11	-111.28
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3CCCC3)N=C2)C=C(C(=O)[O-])S1	REAL300000440982	0	41	-2.0	-109.68	366.35	6.02	-103.66
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=NN1C1CCCC1	REAL300000440983	0	41	-2.0	-96.69	369.71	6.69	-90.00
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=NN1C1CCCC1	REAL300000440984	0	41	-2.0	-98.56	361.19	6.17	-92.39
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1CCCC1	REAL300000440985	0	38	-2.0	-100.89	348.92	5.25	-95.64
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000440986	0	41	-2.0	-102.65	363.07	6.19	-96.46
CC1=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000440987	0	44	-2.0	-111.07	382.41	6.84	-104.23
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=NN1C1CCCC1	REAL300000440988	0	41	-2.0	-98.52	362.13	6.20	-92.32
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=NN1C1CCCC1	REAL300000440989	0	41	-2.0	-96.72	369.17	6.53	-90.19
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=NN1C1CCCC1	REAL300000440990	0	44	-2.0	-105.59	386.10	7.33	-98.26
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000440991	0	41	-2.0	-100.70	367.49	6.22	-94.48
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=NN1C1CCCC1	REAL300000440992	0	43	-2.0	-96.56	384.87	6.79	-89.77
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=NN1C1CCCC1	REAL300000440993	0	42	-2.0	-112.78	366.37	3.84	-108.94
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1C1CCCC1	REAL300000440994	0	44	-2.0	-103.29	378.83	6.91	-96.38
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NN1C1CCCC1	REAL300000440995	0	44	-2.0	-107.32	366.70	6.76	-100.56
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)C=NN1C1CCCC1	REAL300000440996	0	44	-2.0	-110.73	381.50	6.78	-103.95
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NN1C1CCCC1	REAL300000440997	0	44	-2.0	-99.55	372.07	6.90	-92.65
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)C=NN1C1CCCC1	REAL300000440998	0	47	-2.0	-115.09	389.54	7.19	-107.90
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000440999	0	43	-2.0	-109.74	383.21	7.22	-102.52
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=NN1C1CCCC1	REAL300000441000	0	41	-2.0	-100.92	368.42	6.26	-94.66
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=NN1C1CCCC1	REAL300000441001	0	47	-2.0	-111.75	390.19	7.54	-104.21
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000441002	0	44	-2.0	-112.01	381.97	6.83	-105.18
CC1=C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000441003	0	44	-2.0	-109.93	388.42	7.27	-102.66
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=NN1C1CCCC1	REAL300000441004	0	44	-2.0	-115.82	381.70	6.81	-109.01
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000441005	0	47	-2.0	-113.78	390.98	7.31	-106.47
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C3CCCC3)N=C2)C=C1CC(=O)[O-]	REAL300000441006	0	48	-2.0	-113.41	407.13	6.25	-107.16
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=NN1C1CCCC1	REAL300000441007	0	44	-2.0	-100.72	382.92	7.32	-93.40
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)C=NN1C1CCCC1	REAL300000441008	0	44	-2.0	-109.47	387.89	7.08	-102.39
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000441009	0	45	-2.0	-111.56	384.68	6.35	-105.21
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000441010	0	44	-2.0	-106.40	390.43	7.19	-99.21
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C1CCCC1	REAL300000441011	0	44	-2.0	-99.31	372.67	6.67	-92.64
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=NN1C1CCCC1	REAL300000441012	0	44	-2.0	-111.07	376.19	6.96	-104.11
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=NN1C1CCCC1	REAL300000441013	0	43	-2.0	-117.96	380.40	7.98	-109.98
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=NN1C1CCCC1	REAL300000441014	0	41	-2.0	-115.01	360.29	6.16	-108.85
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000441015	0	44	-2.0	-104.45	381.61	6.80	-97.65
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000441016	0	47	-2.0	-120.06	397.70	8.26	-111.80
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1C1CCCC1	REAL300000441017	0	40	-2.0	-109.52	352.90	4.26	-105.26
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)N(C2CCCC2)N=C1	REAL300000441018	0	45	-2.0	-103.59	384.86	5.93	-97.66
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=NN1C1CCCC1	REAL300000441019	0	38	-2.0	-99.76	356.80	5.12	-94.64
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=NN1C1CCCC1	REAL300000441020	0	48	-2.0	-106.12	402.78	8.01	-98.11
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=NN1C1CCCC1	REAL300000441021	0	48	-2.0	-100.32	401.74	8.01	-92.31
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(C3CCCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000441022	0	44	-2.0	-106.10	378.78	6.13	-99.97
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000441023	1	43	-2.0	-107.56	377.91	5.57	-101.99
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000441024	1	43	-2.0	-98.76	374.19	5.53	-93.23
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000441025	1	43	-2.0	-110.76	375.00	5.45	-105.31
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000441026	1	46	-2.0	-111.36	389.87	6.07	-105.29
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000441027	0	43	-2.0	-108.55	380.20	5.53	-103.02
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000441028	0	40	-2.0	-105.61	366.96	4.55	-101.06
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000441029	1	46	-2.0	-112.45	389.20	6.32	-106.13
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000441030	0	44	-2.0	-110.00	380.84	4.87	-105.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(NC(=O)N(C)C)=CC=C2C)=C1	REAL300000441031	0	43	-2.0	-100.84	382.28	5.23	-95.61
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000441032	0	40	-2.0	-107.85	366.10	4.54	-103.31
CC1=C(S(=O)(=O)[N-]C2=CC(NC(=O)N(C)C)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000441033	0	43	-2.0	-105.31	376.78	4.67	-100.64
CC1=C(S(=O)(=O)[N-]C2=CC(NC(=O)N(C)C)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000441034	0	43	-2.0	-108.64	383.47	5.42	-103.22
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000441035	1	43	-2.0	-97.85	378.30	5.58	-92.27
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000441036	0	40	-2.0	-100.13	366.45	4.63	-95.50
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000441037	1	43	-2.0	-101.62	380.61	5.58	-96.04
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000441038	0	43	-2.0	-97.72	379.24	5.61	-92.11
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000441039	0	44	-2.0	-111.10	383.08	3.25	-107.85
CC1=CC=C(NC(=O)N(C)C)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000441039	1	44	-2.0	-112.20	380.94	4.05	-108.15
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000441040	1	46	-2.0	-101.88	396.90	6.26	-95.62
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000441041	1	46	-2.0	-106.86	384.36	6.14	-100.72
CCN1C=C(S(=O)(=O)[N-]C2=CC(NC(=O)N(C)C)=CC=C2C)C=C1C(=O)[O-]	REAL300000441043	0	47	-2.0	-110.74	401.32	5.74	-105.00
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000441044	1	46	-2.0	-98.92	390.01	6.07	-92.85
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000441045	0	43	-2.0	-114.42	377.84	5.55	-108.87
CC1=CC=C(NC(=O)N(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000441046	0	42	-2.0	-108.47	371.16	3.58	-104.89
CCC1=C(S(=O)(=O)[N-]C2=CC(NC(=O)N(C)C)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000441047	0	46	-2.0	-105.15	395.89	5.52	-99.63
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000441048	1	39	-2.0	-83.89	367.66	3.45	-80.44
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441049	1	32	-2.0	-99.53	315.72	4.89	-94.64
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(OC)=C1	REAL300000441050	0	40	-2.0	-100.95	370.81	5.96	-94.99
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300000441051	1	32	-2.0	-89.90	311.18	4.87	-85.03
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441052	1	32	-2.0	-101.78	311.19	4.86	-96.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(OC)=C1	REAL300000441053	0	36	-2.0	-107.25	339.33	4.66	-102.59
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000441054	1	36	-2.0	-89.81	342.65	6.16	-83.65
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441055	1	35	-2.0	-104.15	331.26	5.51	-98.64
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1Cl	REAL300000441056	0	32	-2.0	-97.72	324.26	5.44	-92.28
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441057	1	32	-2.0	-97.80	323.70	5.26	-92.54
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1Cl	REAL300000441058	1	38	-2.0	-105.04	343.87	6.22	-98.82
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1Cl	REAL300000441059	0	32	-2.0	-99.04	316.66	4.93	-94.11
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000441060	1	38	-2.0	-88.98	354.75	6.45	-82.53
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000441061	0	29	-2.0	-96.25	304.37	3.88	-92.37
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1Cl	REAL300000441062	1	35	-2.0	-102.92	326.62	5.65	-97.27
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000441063	1	36	-2.0	-88.48	342.27	5.15	-83.33
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441064	0	33	-2.0	-100.27	317.83	4.21	-96.06
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000441066	0	32	-2.0	-92.48	320.31	4.54	-87.94
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC=C1Cl	REAL300000441067	1	38	-2.0	-104.43	342.26	6.21	-98.22
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441068	0	29	-2.0	-97.77	302.84	3.90	-93.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC)=C2)C=C1C(=O)[O-]	REAL300000441069	1	36	-2.0	-107.68	338.47	4.93	-102.75
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1Cl	REAL300000441070	1	42	-2.0	-106.64	366.44	7.48	-99.16
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1Cl	REAL300000441071	1	41	-2.0	-105.08	365.09	6.87	-98.21
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(OC)=C1	REAL300000441072	1	38	-2.0	-101.55	341.33	6.58	-94.97
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(OC)=C1	REAL300000441073	0	39	-2.0	-107.54	361.62	5.42	-102.12
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441074	0	35	-2.0	-107.70	342.06	5.42	-102.28
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441074	1	34	-3.0	-175.41	339.60	5.43	-169.98
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1Cl	REAL300000441075	1	39	-2.0	-106.96	355.46	6.76	-100.20
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441076	0	32	-2.0	-96.23	314.19	4.00	-92.23
COC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441077	1	38	-2.0	-106.55	353.35	4.64	-101.91
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000441078	0	36	-2.0	-102.85	340.17	3.95	-98.90
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=CC=C1Cl	REAL300000441079	1	40	-2.0	-88.89	364.13	5.47	-83.42
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1Cl	REAL300000441080	0	32	-2.0	-94.65	328.79	5.46	-89.19
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CC=C1Cl	REAL300000441081	1	39	-2.0	-88.91	362.33	5.85	-83.06
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1Cl	REAL300000441082	1	35	-2.0	-93.75	331.90	5.68	-88.07
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000441083	1	36	-2.0	-88.14	348.48	5.21	-82.93
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC)=C2)C=C1C(=O)[O-]	REAL300000441084	1	39	-2.0	-108.23	360.32	5.84	-102.39
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441085	0	32	-2.0	-99.55	319.79	4.76	-94.79
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1Cl	REAL300000441086	0	32	-2.0	-87.58	324.24	5.42	-82.16
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000441087	1	32	-2.0	-89.54	315.71	4.90	-84.64
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000441088	0	29	-2.0	-91.35	303.46	3.99	-87.36
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441089	1	32	-2.0	-92.88	317.59	4.93	-87.95
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1Cl	REAL300000441090	0	35	-2.0	-100.39	336.96	5.57	-94.82
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1Cl	REAL300000441091	0	32	-2.0	-89.11	316.65	4.93	-84.18
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1Cl	REAL300000441092	1	32	-2.0	-87.47	323.69	5.27	-82.20
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1Cl	REAL300000441093	1	35	-2.0	-95.41	340.63	6.07	-89.34
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000441094	1	40	-2.0	-86.80	374.93	6.28	-80.52
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441095	1	32	-2.0	-91.23	322.01	4.96	-86.27
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1Cl	REAL300000441096	0	34	-2.0	-87.22	339.38	5.53	-81.69
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Cl	REAL300000441097	0	33	-2.0	-101.91	320.90	2.57	-99.34
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Cl	REAL300000441097	1	33	-2.0	-100.55	309.93	3.47	-97.08
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000441098	1	35	-2.0	-93.38	333.35	5.65	-87.73
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441099	1	32	-2.0	-92.69	331.89	5.39	-87.30
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000441100	1	35	-2.0	-97.90	321.26	5.50	-92.40
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441101	1	35	-2.0	-100.79	336.04	5.52	-95.27
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1Cl	REAL300000441102	1	35	-2.0	-90.21	326.60	5.64	-84.57
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441103	1	38	-2.0	-104.69	344.08	5.93	-98.76
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441104	0	34	-2.0	-100.66	337.75	5.95	-94.71
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1Cl	REAL300000441105	0	32	-2.0	-90.83	322.94	4.99	-85.84
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000441106	1	38	-2.0	-102.11	345.67	6.26	-95.85
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1Cl	REAL300000441107	0	35	-2.0	-101.27	336.51	5.56	-95.71
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1Cl	REAL300000441108	0	35	-2.0	-99.36	342.94	6.00	-93.36
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000441109	0	35	-2.0	-106.28	336.22	5.56	-100.72
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC)=C2)C=C1C(=O)[O-]	REAL300000441110	1	38	-2.0	-103.55	345.43	6.05	-97.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC)=C2)C=C1CC(=O)[O-]	REAL300000441111	1	39	-2.0	-103.64	361.65	5.00	-98.64
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000441112	1	35	-2.0	-91.45	337.45	6.04	-85.41
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441113	1	35	-2.0	-99.47	342.43	5.82	-93.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC)=C2)C=C1C(=O)[O-]	REAL300000441114	0	36	-2.0	-101.53	339.22	5.08	-96.45
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441116	1	35	-2.0	-96.29	344.93	5.93	-90.36
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Cl	REAL300000441117	1	35	-2.0	-89.92	327.19	5.41	-84.51
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC=C1Cl	REAL300000441118	1	35	-2.0	-100.91	330.73	5.70	-95.21
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1Cl	REAL300000441119	0	34	-2.0	-108.77	334.91	6.71	-102.06
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000441120	0	32	-2.0	-105.57	314.85	4.90	-100.67
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441121	1	35	-2.0	-94.53	336.12	5.54	-88.99
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441122	1	38	-2.0	-109.79	352.23	6.98	-102.81
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000441123	0	31	-2.0	-99.05	308.17	2.92	-96.13
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1Cl	REAL300000441124	0	36	-2.0	-94.00	339.39	4.66	-89.34
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000441125	0	29	-2.0	-90.03	311.33	3.84	-86.19
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1Cl	REAL300000441126	1	39	-2.0	-96.45	357.31	6.75	-89.70
COC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1Cl	REAL300000441127	1	39	-2.0	-99.32	356.63	6.75	-92.57
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000441128	0	35	-2.0	-96.20	333.32	4.85	-91.35
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C1	REAL300000441129	1	45	-2.0	-89.70	387.87	6.19	-83.51
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCC2)C=C1	REAL300000441131	0	46	-2.0	-107.67	391.04	8.69	-98.98
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1	REAL300000441133	1	38	-2.0	-109.16	331.43	7.59	-101.57
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCC2)C=C1	REAL300000441134	0	42	-2.0	-114.96	359.55	7.39	-107.57
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1	REAL300000441137	0	38	-2.0	-104.81	344.48	8.18	-96.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=CC=C1Cl	REAL300000441138	1	38	-2.0	-104.82	343.94	8.00	-96.82
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1	REAL300000441140	0	38	-2.0	-106.55	336.89	7.67	-98.88
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C1	REAL300000441141	1	44	-2.0	-95.15	374.98	9.18	-85.97
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1	REAL300000441142	0	35	-2.0	-103.23	324.59	6.62	-96.61
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C1C(=O)[O-]	REAL300000441145	1	39	-2.0	-107.49	338.07	6.95	-100.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1	REAL300000441147	0	38	-2.0	-99.25	340.55	7.28	-91.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=CS1	REAL300000441149	1	35	-2.0	-104.65	323.07	6.64	-98.01
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCC2)C=C1	REAL300000441153	1	47	-2.0	-112.56	385.31	9.60	-102.96
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCC2)C=C1	REAL300000441155	0	45	-2.0	-115.53	381.84	8.16	-107.37
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3CCC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000441156	0	41	-2.0	-108.54	362.53	8.12	-100.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000441156	1	40	-3.0	-184.76	359.82	8.17	-176.59
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000441158	0	38	-2.0	-102.80	334.45	6.74	-96.06
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1	REAL300000441160	0	42	-2.0	-110.24	360.40	6.69	-103.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C(Cl)C=C1F	REAL300000441162	0	38	-2.0	-101.25	349.00	8.19	-93.06
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCC2)C=C1	REAL300000441165	1	41	-2.0	-100.49	352.12	8.42	-92.07
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C1F	REAL300000441166	1	42	-2.0	-93.75	368.71	7.94	-85.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C(C(=O)[O-])S1	REAL300000441168	1	38	-2.0	-106.49	340.03	7.49	-99.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C(Cl)=C1	REAL300000441169	1	38	-2.0	-93.71	344.46	8.16	-85.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C1F	REAL300000441170	1	38	-2.0	-95.57	335.95	7.64	-87.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)S1	REAL300000441171	0	35	-2.0	-97.98	323.67	6.72	-91.26
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1	REAL300000441172	1	38	-2.0	-99.77	337.82	7.66	-92.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1F	REAL300000441173	0	41	-2.0	-108.03	357.18	8.30	-99.73
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000441174	0	42	-2.0	-98.35	371.72	8.22	-90.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C(F)=C1	REAL300000441175	0	38	-2.0	-95.73	336.88	7.67	-88.06
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCC2)C=C1	REAL300000441177	1	41	-2.0	-102.26	360.86	8.79	-93.47
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C1	REAL300000441178	1	46	-2.0	-92.42	395.16	9.01	-83.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=CC(F)=C1F	REAL300000441179	1	38	-2.0	-97.71	342.24	7.70	-90.01
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1	REAL300000441180	1	40	-2.0	-93.71	359.60	8.27	-85.44
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1	REAL300000441181	0	39	-2.0	-109.20	341.13	5.32	-103.88
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3CCC3)C=C2)=C1	REAL300000441181	1	39	-2.0	-106.10	340.32	6.10	-100.00
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C1	REAL300000441182	1	41	-2.0	-100.06	353.58	8.38	-91.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=CC(Cl)=C1F	REAL300000441183	1	38	-2.0	-99.25	352.13	8.13	-91.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000441188	1	40	-2.0	-106.92	357.99	8.69	-98.23
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1	REAL300000441189	0	38	-2.0	-97.94	343.16	7.73	-90.21
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C1C(=O)[O-]	REAL300000441191	0	41	-2.0	-107.79	352.89	8.19	-99.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1Cl	REAL300000441192	0	41	-2.0	-106.66	363.16	8.74	-97.92
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1	REAL300000441193	0	41	-2.0	-114.03	356.42	8.29	-105.74
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2CCC2)C=C1	REAL300000441196	1	41	-2.0	-98.34	357.68	8.78	-89.56
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000441198	1	41	-2.0	-106.76	362.63	8.57	-98.19
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C1C(=O)[O-]	REAL300000441199	1	42	-2.0	-108.74	359.43	7.82	-100.92
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C(C(=O)[O-])S1	REAL300000441202	1	47	-2.0	-106.08	380.86	9.73	-96.35
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C1C(=O)[O-]	REAL300000441203	1	42	-2.0	-110.36	371.73	8.23	-102.13
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C([N+](=O)[O-])=C1	REAL300000441205	0	43	-2.0	-100.92	374.70	9.79	-91.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1[N+](=O)[O-]	REAL300000441207	0	40	-2.0	-116.25	355.14	9.45	-106.80
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1F	REAL300000441208	0	38	-2.0	-113.23	335.03	7.63	-105.60
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C1C(=O)[O-]	REAL300000441209	1	41	-2.0	-101.65	356.38	8.27	-93.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=CC2=CC=CC=C21	REAL300000441210	1	44	-2.0	-117.63	372.46	9.72	-107.91
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C1	REAL300000441211	0	37	-2.0	-106.84	327.63	5.74	-101.10
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2CCC2)C=C1	REAL300000441212	0	42	-2.0	-100.72	359.62	7.40	-93.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)=C(Cl)O1	REAL300000441213	0	35	-2.0	-96.50	331.56	6.58	-89.92
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4CCC4)C=C3)C=C2)CC1	REAL300000441214	1	45	-2.0	-103.06	377.54	9.48	-93.58
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4CCC4)C=C3)C=C2C1	REAL300000441215	1	45	-2.0	-105.84	376.86	9.49	-96.35
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000441216	0	41	-2.0	-102.73	353.54	7.60	-95.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=CC=C1F	REAL300000441217	0	41	-2.0	-116.55	358.93	7.01	-109.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1	REAL300000441218	0	41	-2.0	-106.03	354.40	6.99	-99.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1	REAL300000441219	0	41	-2.0	-119.59	354.40	6.98	-112.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C=C1	REAL300000441220	0	45	-2.0	-125.85	382.55	6.79	-119.06
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1	REAL300000441221	0	45	-2.0	-105.58	385.85	8.27	-97.31
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000441222	0	44	-2.0	-122.18	374.47	7.62	-114.56
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1	REAL300000441223	0	41	-2.0	-115.29	367.48	7.54	-107.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=CC=C1Cl	REAL300000441224	0	41	-2.0	-115.09	366.90	7.37	-107.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1C	REAL300000441225	0	47	-2.0	-122.80	387.52	8.29	-114.51
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1	REAL300000441226	0	41	-2.0	-117.24	359.88	7.04	-110.20
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1	REAL300000441227	0	47	-2.0	-105.05	398.01	8.57	-96.48
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1	REAL300000441228	0	38	-2.0	-113.35	347.59	6.00	-107.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C=C1	REAL300000441229	0	44	-2.0	-120.96	369.84	7.75	-113.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1	REAL300000441230	0	45	-2.0	-104.30	385.47	7.26	-97.04
CN1C=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000441231	0	42	-2.0	-117.70	361.06	6.32	-111.38
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C=C1	REAL300000441232	0	45	-2.0	-121.19	378.61	5.79	-115.40
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1	REAL300000441233	0	41	-2.0	-109.03	363.52	6.66	-102.37
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000441234	0	47	-2.0	-122.30	385.85	8.29	-114.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=CS1	REAL300000441235	0	38	-2.0	-114.87	346.05	6.01	-108.86
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000441236	0	45	-2.0	-125.42	381.71	7.04	-118.38
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C=C1	REAL300000441237	0	50	-2.0	-123.41	408.30	8.98	-114.43
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C=C1	REAL300000441238	0	47	-2.0	-119.16	384.56	8.70	-110.46
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C=C1	REAL300000441239	0	48	-2.0	-126.33	404.84	7.55	-118.78
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1	REAL300000441240	0	43	-3.0	-195.35	382.80	7.54	-187.81
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1	REAL300000441241	0	48	-2.0	-125.40	398.64	8.86	-116.54
CC1=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000441242	0	41	-2.0	-112.87	357.42	6.12	-106.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1	REAL300000441243	0	45	-2.0	-120.32	383.40	6.07	-114.25
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=CC=C1OCC(=O)[O-]	REAL300000441244	0	48	-2.0	-104.81	405.58	7.97	-96.84
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C=C1	REAL300000441245	0	44	-2.0	-110.72	375.14	7.78	-102.94
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1F	REAL300000441246	0	45	-2.0	-103.32	391.73	7.32	-96.00
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000441247	0	48	-2.0	-125.93	403.57	7.95	-117.98
CC1=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C(C(=O)[O-])S1	REAL300000441248	0	41	-2.0	-116.64	364.10	6.86	-109.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C(Cl)=C1	REAL300000441249	0	41	-2.0	-103.42	367.46	7.53	-95.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1F	REAL300000441250	0	41	-2.0	-105.19	358.91	7.02	-98.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)S1	REAL300000441251	0	38	-2.0	-107.74	346.66	6.11	-101.63
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1	REAL300000441252	0	41	-2.0	-109.83	360.80	7.04	-102.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1F	REAL300000441253	0	44	-2.0	-118.68	380.17	7.68	-111.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C(F)=C1	REAL300000441254	0	41	-2.0	-105.48	359.87	7.05	-98.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1Cl	REAL300000441255	0	41	-2.0	-103.42	366.88	7.38	-96.04
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C=C1	REAL300000441256	0	44	-2.0	-112.60	383.87	8.17	-104.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=CC(F)=C1F	REAL300000441257	0	41	-2.0	-107.64	365.22	7.07	-100.57
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1	REAL300000441258	0	43	-2.0	-103.58	382.59	7.65	-95.93
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1	REAL300000441259	0	42	-2.0	-119.73	364.12	4.70	-115.03
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1	REAL300000441260	0	44	-2.0	-110.28	376.61	7.76	-102.52
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C=C1	REAL300000441261	0	44	-2.0	-115.19	364.47	7.60	-107.59
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000441262	0	44	-2.0	-117.85	379.27	7.63	-110.22
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C=C1	REAL300000441263	0	44	-2.0	-106.20	369.83	7.74	-98.46
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000441264	0	47	-2.0	-124.24	391.24	8.15	-116.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000441265	0	43	-2.0	-116.70	380.97	8.07	-108.63
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1	REAL300000441266	0	41	-2.0	-108.23	366.15	7.10	-101.13
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C(C)=C1C(=O)[O-]	REAL300000441267	0	47	-2.0	-119.30	388.88	8.36	-110.94
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000441268	0	44	-2.0	-118.43	375.87	7.58	-110.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1Cl	REAL300000441269	0	44	-2.0	-117.14	386.18	8.10	-109.04
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1	REAL300000441270	0	44	-2.0	-124.01	379.44	7.67	-116.34
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000441271	0	47	-2.0	-121.70	388.34	8.16	-113.54
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1CC(=O)[O-]	REAL300000441272	0	48	-2.0	-121.31	404.89	7.11	-114.20
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C=C1	REAL300000441273	0	44	-2.0	-108.19	380.68	8.16	-100.03
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000441274	0	44	-2.0	-116.85	385.66	7.94	-108.91
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000441275	0	45	-2.0	-119.09	382.42	7.20	-111.89
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000441276	0	44	-2.0	-112.72	384.26	7.94	-104.78
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=CC=C1C(=O)[O-]	REAL300000441277	0	44	-2.0	-106.28	370.41	7.51	-98.77
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C=C1	REAL300000441278	0	44	-2.0	-117.76	374.36	7.78	-109.98
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1[N+](=O)[O-]	REAL300000441279	0	43	-2.0	-126.17	378.15	8.83	-117.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1F	REAL300000441280	0	41	-2.0	-123.22	358.04	7.00	-116.22
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000441281	0	44	-2.0	-110.93	375.56	7.55	-103.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=CC2=CC=CC=C21	REAL300000441282	0	47	-2.0	-127.95	395.46	9.11	-118.84
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C1	REAL300000441283	0	40	-2.0	-117.25	350.63	5.10	-112.15
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C=C1	REAL300000441284	0	45	-2.0	-110.72	382.61	6.79	-103.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)=C(Cl)O1	REAL300000441285	0	38	-2.0	-106.37	354.51	5.94	-100.43
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN(C4CCCCC4)C=C3)C=C2)CC1	REAL300000441286	0	48	-2.0	-113.11	400.52	8.86	-104.25
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN(C4CCCCC4)C=C3)C=C2C1	REAL300000441287	0	48	-2.0	-116.64	399.83	8.86	-107.78
CCC1=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000441288	0	44	-2.0	-112.76	376.54	6.97	-105.79
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300000441289	1	42	-2.0	-89.82	377.19	3.32	-86.50
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000441290	1	35	-2.0	-105.94	325.27	4.77	-101.17
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1	REAL300000441291	0	43	-2.0	-107.21	380.36	5.82	-101.39
COCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000441293	1	35	-2.0	-108.55	320.75	4.73	-103.82
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000441294	0	39	-2.0	-114.23	348.88	4.53	-109.70
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000441295	1	39	-2.0	-95.91	352.19	6.03	-89.88
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000441297	0	35	-2.0	-104.28	333.81	5.31	-98.97
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000441298	1	35	-2.0	-104.33	333.24	5.13	-99.20
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=C1	REAL300000441299	0	35	-2.0	-99.82	346.31	5.68	-94.14
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000441300	1	41	-2.0	-111.46	353.13	6.05	-105.41
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000441301	0	35	-2.0	-105.99	326.22	4.80	-101.19
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000441302	1	41	-2.0	-95.10	364.30	6.32	-88.78
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000441303	0	32	-2.0	-102.78	313.92	3.75	-99.03
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000441304	1	38	-2.0	-109.58	336.17	5.52	-104.06
COCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000441306	1	36	-2.0	-106.96	327.39	4.09	-102.87
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000441308	0	35	-2.0	-99.21	329.85	4.41	-94.80
COCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000441310	0	32	-2.0	-104.73	312.39	3.77	-100.96
COCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300000441311	1	43	-2.0	-109.41	379.02	4.55	-104.86
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1	REAL300000441313	1	45	-2.0	-113.51	375.97	7.37	-106.14
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000441314	1	44	-2.0	-111.81	374.64	6.74	-105.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(COC)C=C1	REAL300000441315	1	41	-2.0	-107.98	350.88	6.45	-101.53
COCC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000441316	0	42	-2.0	-114.77	371.17	5.30	-109.47
COCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000441317	0	38	-2.0	-111.86	355.70	5.17	-106.69
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000441317	1	37	-3.0	-184.01	349.14	5.30	-178.71
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000441318	1	42	-2.0	-114.47	364.98	6.63	-107.84
COCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000441319	0	35	-2.0	-102.44	323.75	3.87	-98.57
COCC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000441320	1	41	-2.0	-113.32	362.90	4.51	-108.81
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000441321	0	39	-2.0	-110.20	349.70	3.83	-106.37
COCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000441323	1	35	-2.0	-98.54	348.42	5.59	-92.95
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000441324	0	35	-2.0	-100.89	338.33	5.32	-95.57
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1	REAL300000441325	1	39	-2.0	-92.90	367.84	5.55	-87.35
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=C1	REAL300000441327	1	45	-2.0	-93.60	400.49	5.98	-87.62
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000441328	1	38	-2.0	-100.04	341.46	5.55	-94.49
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000441330	1	39	-2.0	-93.83	358.03	5.08	-88.75
COCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000441332	1	35	-2.0	-105.94	329.34	4.63	-101.31
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C1	REAL300000441333	0	35	-2.0	-97.99	348.96	5.76	-92.23
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000441334	0	35	-2.0	-93.78	333.79	5.30	-88.48
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000441335	1	35	-2.0	-95.63	325.27	4.78	-90.85
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000441336	0	32	-2.0	-97.92	313.01	3.87	-94.05
COCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000441337	1	35	-2.0	-99.32	327.14	4.80	-94.52
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000441338	0	38	-2.0	-107.43	346.50	5.44	-101.99
COCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000441339	0	39	-2.0	-98.39	361.05	5.36	-93.03
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000441340	0	35	-2.0	-95.63	326.20	4.81	-90.82
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000441341	1	35	-2.0	-93.75	333.24	5.14	-88.61
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000441342	1	38	-2.0	-101.77	350.19	5.94	-95.83
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1	REAL300000441343	1	43	-2.0	-92.65	384.48	6.15	-86.50
COCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000441344	1	35	-2.0	-97.90	331.57	4.83	-93.07
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000441345	1	37	-2.0	-93.86	348.93	5.41	-88.45
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000441346	0	36	-2.0	-108.58	330.45	2.45	-106.13
COCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000441346	1	36	-2.0	-105.01	329.64	3.24	-101.77
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000441347	1	38	-2.0	-99.89	342.91	5.51	-94.38
COCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000441348	1	35	-2.0	-99.40	341.45	5.27	-94.13
COCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000441349	1	38	-2.0	-106.25	334.56	5.48	-100.77
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000441350	1	38	-2.0	-107.95	345.57	5.39	-102.56
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000441353	0	37	-2.0	-107.27	347.31	5.83	-101.44
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000441354	0	35	-2.0	-97.58	332.49	4.86	-92.72
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000441356	0	38	-2.0	-107.08	342.21	5.34	-101.74
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000441357	0	38	-2.0	-106.06	352.50	5.88	-100.18
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000441358	0	38	-2.0	-114.03	345.75	5.43	-108.60
COCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000441361	1	38	-2.0	-99.21	351.28	6.00	-93.21
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1	REAL300000441362	1	38	-2.0	-92.66	350.85	5.55	-87.11
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000441363	1	38	-2.0	-106.76	351.96	5.70	-101.06
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(COC)C=C2)C=C1C(=O)[O-]	REAL300000441364	1	39	-2.0	-108.19	348.76	4.96	-103.23
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=C1	REAL300000441366	0	35	-2.0	-96.19	346.32	5.29	-90.90
COCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000441367	1	38	-2.0	-103.60	354.52	5.80	-97.80
COCC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1	REAL300000441368	0	44	-2.0	-105.59	370.20	6.87	-98.72
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1	REAL300000441369	0	39	-2.0	-109.75	361.06	5.37	-104.38
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300000441371	0	40	-2.0	-100.75	361.46	6.90	-93.85
COCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000441373	0	37	-2.0	-116.48	344.49	6.60	-109.88
COCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000441374	0	35	-2.0	-113.31	324.40	4.76	-108.55
COCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000441375	1	38	-2.0	-101.71	345.70	5.40	-96.31
COCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000441376	1	41	-2.0	-116.82	361.78	6.87	-109.95
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000441377	0	34	-2.0	-106.36	316.95	2.85	-103.51
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000441378	0	39	-2.0	-100.51	348.94	4.53	-95.98
COCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000441379	0	32	-2.0	-96.24	320.89	3.71	-92.53
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000441380	1	42	-2.0	-102.77	366.86	6.63	-96.14
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000441381	1	42	-2.0	-105.67	366.18	6.63	-99.04
CCC1=C(S(=O)(=O)[N-]C2=CC=C(COC)C=C2)C=C(C(=O)[O-])O1	REAL300000441382	0	38	-2.0	-102.33	342.86	4.72	-97.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C(C)C=C1O	REAL300000441383	1	42	-2.0	-88.36	373.17	2.24	-86.12
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(O)C=C1C	REAL300000441385	0	43	-2.0	-105.83	376.31	4.74	-101.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(O)C=C1C	REAL300000441388	0	39	-2.0	-112.70	344.83	3.45	-109.25
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(C)C=C1O	REAL300000441392	0	35	-2.0	-104.57	322.16	3.72	-100.85
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(C)C=C1O	REAL300000441394	0	32	-2.0	-101.40	309.88	2.67	-98.73
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C)C=C1O	REAL300000441397	1	36	-2.0	-105.88	323.34	3.01	-102.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=C(O)C(C)=C2)=C1	REAL300000441399	0	35	-2.0	-97.84	325.80	3.34	-94.50
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(C)C=C1O	REAL300000441401	1	32	-2.0	-102.71	308.34	2.69	-100.02
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(O)C=C1C	REAL300000441407	0	42	-2.0	-112.93	367.12	4.22	-108.71
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C(C)C=C1O	REAL300000441408	0	38	-2.0	-107.39	343.63	4.16	-103.23
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000441410	0	35	-2.0	-101.25	319.70	2.79	-98.46
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C)=C(O)C=C2C)=C1	REAL300000441412	0	39	-2.0	-108.39	345.68	2.74	-105.65
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C(C)C=C1O	REAL300000441418	1	38	-2.0	-98.78	337.40	4.47	-94.31
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(O)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000441422	1	35	-2.0	-104.45	326.38	3.54	-100.91
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C(C)C=C1O	REAL300000441423	0	35	-2.0	-97.07	344.91	4.67	-92.40
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C(C)C=C1O	REAL300000441424	1	35	-2.0	-92.26	329.74	4.23	-88.03
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(C)C=C1O	REAL300000441426	0	32	-2.0	-96.59	308.94	2.79	-93.80
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(C)C=C1O	REAL300000441427	1	35	-2.0	-97.84	323.10	3.72	-94.12
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C(C)C=C1O	REAL300000441428	0	38	-2.0	-106.54	342.43	4.35	-102.19
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=C(O)C=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000441429	1	39	-2.0	-96.94	356.99	4.29	-92.65
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(C)C=C1O	REAL300000441430	0	35	-2.0	-94.25	322.15	3.73	-90.52
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C(C)C=C1O	REAL300000441433	1	43	-2.0	-91.18	380.43	5.07	-86.11
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C(C)C=C1O	REAL300000441434	1	37	-2.0	-92.06	344.88	4.33	-87.73
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C(C)C=C1O	REAL300000441435	0	36	-2.0	-111.08	320.44	1.72	-109.36
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C(C)C=C1O	REAL300000441435	1	36	-2.0	-107.30	326.40	1.36	-105.94
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C(C)C=C1O	REAL300000441442	1	37	-2.0	-105.14	343.27	4.74	-100.40
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C(C)C=C1O	REAL300000441443	0	35	-2.0	-96.57	328.42	3.78	-92.79
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C(C)C=C1O	REAL300000441445	0	38	-2.0	-106.88	342.01	4.35	-102.53
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C(C)C=C1O	REAL300000441446	0	38	-2.0	-105.13	348.47	4.79	-100.34
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C)=C(O)C=C2C)=C1	REAL300000441447	0	38	-2.0	-112.12	341.72	4.35	-107.77
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=C(O)C=C2C)C=C1C(=O)[O-]	REAL300000441453	1	39	-2.0	-107.18	344.72	3.88	-103.30
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C(C)C=C1O	REAL300000441455	0	35	-2.0	-94.89	342.30	4.21	-90.68
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=C(O)C=C2C)C=C1C(=O)[O-]	REAL300000441457	1	39	-2.0	-108.32	357.01	4.29	-104.03
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C(C)C=C1O	REAL300000441459	0	40	-2.0	-99.41	359.94	5.85	-93.56
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C(C)C=C1O	REAL300000441461	0	37	-2.0	-114.35	340.42	5.51	-108.84
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(C)C=C1O	REAL300000441462	0	35	-2.0	-111.35	320.33	3.68	-107.67
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(C)C=C1O	REAL300000441465	0	34	-2.0	-104.73	313.66	1.72	-103.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=C(O)C=C1C	REAL300000441466	1	39	-2.0	-99.12	344.89	3.45	-95.67
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C(C)C=C1O	REAL300000441467	0	32	-2.0	-94.99	316.80	2.63	-92.36
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=C(O)C=C2C)C=C(C(=O)[O-])O1	REAL300000441470	0	38	-2.0	-101.08	338.81	3.64	-97.44
O=C([O-])C1=CC(S(=O)(=O)N2CC(O)CC3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000441498	0	39	-2.0	-117.20	340.64	4.78	-112.42
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC(O)CC3=CC=CC=C32)=C1	REAL300000441523	0	37	-2.0	-117.22	318.68	4.28	-112.94
CC(C)(C)C1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000441592	0	45	-2.0	-114.02	362.76	7.50	-106.52
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441614	0	34	-2.0	-101.12	330.91	4.39	-96.73
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C(F)(F)F	REAL300000441615	0	34	-2.0	-91.50	326.36	4.37	-87.13
CCN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441616	0	34	-2.0	-103.12	326.37	4.36	-98.76
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1C(F)(F)F	REAL300000441617	0	38	-2.0	-107.89	354.51	4.16	-103.73
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C(F)(F)F	REAL300000441618	0	38	-2.0	-91.08	357.81	5.65	-85.43
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441619	0	37	-2.0	-104.22	342.39	4.88	-99.34
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C(F)(F)F	REAL300000441620	0	34	-2.0	-98.66	339.44	4.91	-93.75
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441621	0	34	-2.0	-99.32	338.89	4.74	-94.58
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C(F)(F)F	REAL300000441622	0	40	-2.0	-105.70	359.03	5.70	-100.00
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C(F)(F)F	REAL300000441623	0	34	-2.0	-99.95	331.84	4.42	-95.53
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C(F)(F)F	REAL300000441624	0	40	-2.0	-90.10	369.94	5.94	-84.16
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C(F)(F)F	REAL300000441625	0	31	-2.0	-97.69	319.56	3.38	-94.31
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C(F)(F)F	REAL300000441626	0	37	-2.0	-103.58	341.81	5.13	-98.45
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C(F)(F)F	REAL300000441627	0	38	-2.0	-89.78	357.43	4.64	-85.14
CCN1N=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441628	0	35	-2.0	-101.72	333.02	3.72	-98.00
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1C(F)(F)F	REAL300000441629	0	38	-2.0	-104.30	350.15	3.19	-101.11
CCN1N=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C(F)(F)F	REAL300000441630	0	34	-2.0	-94.09	335.48	4.04	-90.05
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1C(F)(F)F	REAL300000441631	0	40	-2.0	-106.04	361.82	5.77	-100.27
CCN1N=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441632	0	31	-2.0	-99.15	318.02	3.39	-95.76
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441633	0	38	-2.0	-108.95	353.66	4.43	-104.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)(F)F)N(CC)N=C1	REAL300000441634	0	40	-2.0	-101.83	351.40	5.88	-95.95
CCN1N=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441635	0	34	-2.0	-97.30	329.38	3.51	-93.79
CCN1N=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C(F)(F)F	REAL300000441636	0	38	-2.0	-104.32	355.33	3.45	-100.87
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C(F)(F)F	REAL300000441637	0	37	-2.0	-94.74	347.08	5.17	-89.57
CCN1N=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441638	0	34	-2.0	-100.29	336.06	4.23	-96.06
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C(F)(F)F	REAL300000441639	0	34	-2.0	-89.24	339.42	4.92	-84.32
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C(F)(F)F	REAL300000441640	0	34	-2.0	-91.24	330.90	4.39	-86.85
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C(F)(F)F	REAL300000441641	0	31	-2.0	-93.02	318.63	3.48	-89.54
CCN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441642	0	34	-2.0	-94.48	332.78	4.42	-90.06
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C(F)(F)F	REAL300000441643	0	37	-2.0	-101.35	352.11	5.05	-96.30
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(F)(F)F	REAL300000441644	0	34	-2.0	-90.80	331.84	4.43	-86.37
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C(F)(F)F	REAL300000441645	0	34	-2.0	-89.15	338.87	4.75	-84.40
CCN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441646	0	34	-2.0	-92.92	337.20	4.44	-88.48
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C(F)(F)F	REAL300000441647	0	34	-3.0	-196.31	332.51	2.96	-193.35
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C(F)(F)F	REAL300000441647	1	35	-2.0	-102.31	336.08	2.07	-100.24
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C(F)(F)F	REAL300000441648	0	37	-2.0	-94.42	348.54	5.14	-89.28
CCN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C(F)(F)F	REAL300000441649	0	37	-2.0	-99.86	336.40	4.99	-94.87
CCN1N=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441650	0	37	-2.0	-102.32	351.21	5.00	-97.32
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1C(F)(F)F	REAL300000441651	0	37	-2.0	-91.65	341.78	5.12	-86.53
CCN1N=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441652	0	40	-2.0	-106.11	359.25	5.42	-100.69
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C(F)(F)F	REAL300000441653	0	34	-2.0	-92.09	338.10	4.49	-87.60
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C(F)(F)F	REAL300000441654	0	40	-2.0	-104.30	359.90	5.76	-98.54
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C(F)(F)F	REAL300000441655	0	37	-2.0	-102.17	351.68	5.06	-97.11
CCN1N=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C(F)(F)F	REAL300000441656	0	37	-2.0	-108.16	351.40	5.05	-103.11
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(CC)N=C2)C=C1C(=O)[O-]	REAL300000441657	0	40	-2.0	-104.89	360.69	5.54	-99.35
CCN1C=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(CC)N=C2)C=C1C(=O)[O-]	REAL300000441658	0	38	-2.0	-102.98	354.39	4.58	-98.40
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C(F)(F)F	REAL300000441659	0	37	-2.0	-91.50	342.38	4.89	-86.61
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1C(F)(F)F	REAL300000441660	0	37	-2.0	-101.58	345.90	5.19	-96.39
CCN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C(F)(F)F	REAL300000441661	0	34	-2.0	-107.49	330.03	4.39	-103.10
CCN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441662	0	37	-2.0	-96.08	351.32	5.03	-91.05
CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C(F)(F)F	REAL300000441663	0	33	-2.0	-99.85	323.36	2.41	-97.44
CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1C(F)(F)F	REAL300000441664	0	38	-2.0	-95.35	354.57	4.16	-91.19
CCN1N=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000441665	0	31	-2.0	-91.55	326.51	3.35	-88.20
CCC1=C(S(=O)(=O)[N-]C2=C(C(F)(F)F)N(CC)N=C2)C=C(C(=O)[O-])O1	REAL300000441666	0	37	-2.0	-97.03	345.37	4.26	-92.77
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000441667	1	39	-2.0	-105.55	353.41	4.23	-101.32
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000441668	1	39	-2.0	-95.30	348.87	4.21	-91.09
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000441669	1	39	-2.0	-107.01	349.87	4.29	-102.72
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1C	REAL300000441670	0	43	-2.0	-112.89	378.01	4.09	-108.80
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C	REAL300000441671	1	43	-2.0	-94.94	380.33	5.49	-89.45
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000441672	1	42	-2.0	-108.31	364.33	4.71	-103.60
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C	REAL300000441673	0	39	-2.0	-103.17	362.94	4.86	-98.31
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000441674	1	39	-2.0	-103.85	361.39	4.59	-99.26
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C	REAL300000441675	1	45	-2.0	-110.32	382.97	5.62	-104.70
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000441676	0	39	-2.0	-104.71	355.34	4.35	-100.36
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300000441677	1	45	-2.0	-94.24	392.46	5.78	-88.46
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000441678	0	36	-2.0	-102.29	342.09	3.20	-99.09
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000441679	1	42	-2.0	-108.51	365.30	5.07	-103.44
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000441681	0	40	-2.0	-106.29	355.53	3.55	-102.74
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000441683	0	39	-2.0	-98.11	359.00	3.98	-94.13
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000441685	0	36	-2.0	-102.86	341.52	3.32	-99.54
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)OC)=C1C	REAL300000441687	1	45	-2.0	-108.05	378.48	5.91	-102.14
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000441688	0	39	-2.0	-101.49	352.88	3.42	-98.07
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C	REAL300000441689	0	43	-2.0	-108.07	377.89	3.28	-104.79
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C	REAL300000441690	1	42	-2.0	-99.99	369.61	5.01	-94.98
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000441691	1	39	-2.0	-105.75	358.60	4.08	-101.67
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000441692	0	39	-2.0	-92.84	362.92	4.85	-87.99
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000441693	1	39	-2.0	-94.81	353.39	4.24	-90.57
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000441694	0	36	-2.0	-96.98	342.13	3.42	-93.56
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000441695	1	39	-2.0	-98.25	355.30	4.26	-93.99
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C	REAL300000441696	0	42	-2.0	-106.10	375.65	4.98	-101.12
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000441697	0	39	-2.0	-94.59	355.33	4.36	-90.23
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000441698	1	39	-2.0	-92.82	361.37	4.60	-88.22
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000441699	0	40	-2.0	-107.67	359.58	2.00	-105.67
COC(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C	REAL300000441699	1	40	-2.0	-107.43	353.53	2.85	-104.58
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000441700	1	42	-2.0	-98.89	371.06	4.97	-93.92
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000441701	1	42	-2.0	-103.52	359.53	4.92	-98.60
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000441702	1	42	-2.0	-105.99	373.72	4.85	-101.14
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000441704	1	45	-2.0	-110.85	383.15	5.36	-105.49
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C	REAL300000441706	0	42	-2.0	-105.58	370.97	4.88	-100.70
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C	REAL300000441707	0	42	-2.0	-112.17	374.90	4.98	-107.19
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)OC)=C2C)C=C1C(=O)[O-]	REAL300000441708	1	45	-2.0	-108.87	383.58	5.41	-103.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)OC)=C2C)C=C1C(=O)[O-]	REAL300000441709	0	43	-2.0	-106.89	376.83	4.40	-102.49
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000441710	1	42	-2.0	-95.33	365.74	4.83	-90.50
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000441712	0	39	-2.0	-111.44	353.51	4.31	-107.13
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000441713	1	42	-2.0	-99.48	370.89	4.86	-94.62
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000441714	0	38	-2.0	-105.38	346.11	2.41	-102.97
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1C	REAL300000441715	0	43	-2.0	-99.32	378.07	4.08	-95.24
COC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C	REAL300000441716	0	36	-2.0	-95.36	349.98	3.26	-92.10
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)OC)=C2C)C=C(C(=O)[O-])O1	REAL300000441717	0	42	-2.0	-102.28	371.02	4.18	-98.10
NC(=O)CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000441718	1	41	-2.0	-107.09	373.94	-0.45	-107.54
NC(=O)CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000441719	1	41	-2.0	-119.52	373.93	-0.47	-119.99
NC(=O)CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000441720	0	38	-2.0	-113.76	367.12	-1.45	-115.21
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)NCC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000441721	0	42	-2.0	-118.00	380.58	-1.11	-119.11
NC(=O)CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000441722	0	38	-2.0	-108.77	365.31	-1.38	-110.15
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)NCC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000441723	0	41	-2.0	-112.63	376.97	-1.33	-113.96
NC(=O)CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000441724	0	38	-2.0	-109.05	366.21	-1.34	-110.39
NC(=O)CNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000441725	0	40	-2.0	-116.21	370.91	-2.41	-118.62
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2S1	REAL300000441726	1	34	-2.0	-100.39	334.66	2.86	-97.53
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2S1	REAL300000441727	1	34	-2.0	-90.71	330.12	2.84	-87.87
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2S1	REAL300000441728	1	34	-2.0	-102.60	330.13	2.83	-99.77
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)C=C2S1	REAL300000441729	0	38	-2.0	-107.64	358.27	2.63	-105.01
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2S1	REAL300000441730	1	38	-2.0	-90.43	361.58	4.13	-86.30
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2S1	REAL300000441731	1	37	-2.0	-104.98	350.20	3.48	-101.50
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2S1	REAL300000441732	0	34	-2.0	-98.27	343.20	3.41	-94.86
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2S1	REAL300000441733	1	34	-2.0	-98.59	342.64	3.23	-95.36
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2S1	REAL300000441734	1	40	-2.0	-105.21	362.53	4.14	-101.07
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2S1	REAL300000441735	0	34	-2.0	-99.60	335.61	2.90	-96.70
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2S1	REAL300000441736	1	40	-2.0	-89.53	373.69	4.41	-85.12
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2S1	REAL300000441737	0	31	-2.0	-97.03	323.31	1.85	-95.18
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2S1	REAL300000441738	1	37	-2.0	-103.51	345.56	3.62	-99.89
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2S1	REAL300000441739	1	38	-2.0	-89.09	361.20	3.12	-85.97
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2S1	REAL300000441740	0	35	-2.0	-101.00	336.78	2.18	-98.82
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2S1	REAL300000441742	0	34	-2.0	-93.37	339.24	2.52	-90.85
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=C2S1	REAL300000441743	1	40	-2.0	-104.90	361.20	4.17	-100.73
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2S1	REAL300000441744	0	31	-2.0	-98.46	321.78	1.87	-96.59
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(OC)C(C(=O)[O-])=C3)C=C2S1	REAL300000441745	1	38	-2.0	-108.41	357.41	2.90	-105.51
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=C(OC)SC2=C1	REAL300000441746	1	40	-2.0	-102.07	360.27	4.55	-97.52
COC1=NC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2S1	REAL300000441747	0	34	-2.0	-96.82	333.14	1.97	-94.85
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2S1	REAL300000441748	0	38	-2.0	-103.76	359.05	1.92	-101.84
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2S1	REAL300000441749	1	37	-2.0	-94.33	350.85	3.65	-90.68
COC1=NC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2S1	REAL300000441750	0	34	-2.0	-99.95	339.82	2.72	-97.23
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2S1	REAL300000441751	0	34	-2.0	-88.42	343.18	3.39	-85.03
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2S1	REAL300000441752	1	34	-2.0	-90.43	334.65	2.87	-87.56
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2S1	REAL300000441753	0	31	-2.0	-92.25	322.40	1.96	-90.29
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2S1	REAL300000441754	1	34	-2.0	-93.70	336.53	2.90	-90.80
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2S1	REAL300000441755	0	37	-2.0	-100.93	355.89	3.54	-97.39
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2S1	REAL300000441756	0	34	-2.0	-89.98	335.59	2.90	-87.08
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2S1	REAL300000441757	1	34	-2.0	-88.35	342.62	3.23	-85.12
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2S1	REAL300000441758	0	35	-2.0	-102.44	339.84	0.55	-101.89
COC1=NC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2S1	REAL300000441758	1	35	-2.0	-102.35	328.85	1.42	-100.93
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2S1	REAL300000441759	1	37	-2.0	-93.83	352.30	3.61	-90.22
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2S1	REAL300000441760	1	37	-2.0	-99.05	340.19	3.47	-95.58
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C2S1	REAL300000441761	1	37	-2.0	-101.64	354.96	3.48	-98.16
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C2S1	REAL300000441762	1	37	-2.0	-91.01	345.54	3.61	-87.40
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C2S1	REAL300000441763	1	40	-2.0	-106.82	366.93	4.00	-102.82
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=C2S1	REAL300000441764	1	40	-2.0	-103.28	363.52	4.24	-99.04
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2S1	REAL300000441765	0	37	-2.0	-101.83	355.45	3.53	-98.30
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2S1	REAL300000441766	0	37	-2.0	-107.40	355.17	3.52	-103.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(OC)SC3=C2)C=C1C(=O)[O-]	REAL300000441767	1	40	-2.0	-104.21	364.07	4.02	-100.19
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3N=C(OC)SC3=C2)C=C1C(=O)[O-]	REAL300000441768	0	38	-2.0	-102.30	358.15	3.04	-99.26
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2S1	REAL300000441769	1	37	-2.0	-90.74	346.13	3.38	-87.36
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C2S1	REAL300000441770	1	37	-2.0	-101.16	350.08	3.66	-97.50
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2S1	REAL300000441771	0	34	-2.0	-106.72	333.79	2.87	-103.85
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2S1	REAL300000441772	1	37	-2.0	-95.35	355.07	3.51	-91.84
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2S1	REAL300000441773	0	33	-2.0	-99.52	327.12	0.89	-98.63
COC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3OC)C=C2S1	REAL300000441774	0	38	-2.0	-94.61	358.33	2.63	-91.98
COC1=NC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2S1	REAL300000441775	0	31	-2.0	-90.82	330.28	1.81	-89.01
CCC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(OC)SC3=C2)C=C(C(=O)[O-])O1	REAL300000441776	0	37	-2.0	-96.71	352.25	2.82	-93.89
CN(C)S(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1N	REAL300000441777	1	41	-2.0	-95.06	364.72	1.46	-93.60
CN(C)S(=O)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1N	REAL300000441778	1	41	-2.0	-106.34	363.95	1.49	-104.85
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC(C3=CC=CC=C3)C3=CC=CC=C32)=C1	REAL300000441795	0	43	-2.0	-115.65	370.13	9.13	-106.52
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000441804	1	41	-2.0	-118.22	362.91	6.53	-111.69
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000441805	1	38	-2.0	-117.79	347.48	5.75	-112.04
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1C(=O)[O-]	REAL300000441808	0	32	-2.0	-121.85	301.19	5.38	-116.47
COC1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000441809	0	35	-2.0	-100.83	328.65	4.80	-96.03
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CC=C1C(=O)[O-]	REAL300000441810	0	31	-2.0	-105.20	304.55	3.72	-101.48
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000441811	1	33	-2.0	-111.69	313.52	5.49	-106.20
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=CC=C1C(=O)[O-]	REAL300000441812	1	33	-2.0	-107.61	313.51	5.48	-102.13
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=CC=C1C(=O)[O-]	REAL300000441813	0	32	-2.0	-110.92	314.92	5.67	-105.25
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=CC=C1C(=O)[O-]	REAL300000441814	0	32	-2.0	-115.16	309.18	5.80	-109.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1NC(C)=O	REAL300000441815	1	43	-2.0	-126.89	376.48	3.40	-123.49
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000441816	1	36	-2.0	-107.20	338.67	4.88	-102.32
COC1=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000441817	0	35	-2.0	-105.12	328.18	5.68	-99.44
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000441817	1	34	-3.0	-176.95	325.69	5.68	-171.27
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=CC=C1C(=O)[O-]	REAL300000441819	1	41	-2.0	-112.86	355.51	5.03	-107.83
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000441820	1	37	-2.0	-112.19	339.57	6.39	-105.80
COC1=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=CC=C1C(=O)[O-]	REAL300000441821	0	29	-2.0	-107.17	306.30	4.82	-102.35
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=CC=C1C(=O)[O-]	REAL300000441823	1	48	-2.0	-113.39	394.55	8.90	-104.49
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000441824	1	35	-2.0	-106.78	331.42	6.09	-100.69
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=CC=C1C(=O)[O-]	REAL300000441825	1	42	-2.0	-116.07	355.40	7.58	-108.49
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000441826	0	35	-2.0	-109.44	323.63	5.65	-103.79
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000441827	0	40	-2.0	-122.95	350.43	4.17	-118.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OC	REAL300000441828	1	40	-2.0	-112.94	351.42	4.30	-108.64
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=CC=C1C(=O)[O-]	REAL300000441829	1	39	-2.0	-116.12	338.21	7.00	-109.12
COC1=CC([N-]S(=O)(=O)C2=C(C)ON=C2C)=CC=C1C(=O)[O-]	REAL300000441830	0	34	-2.0	-104.58	305.87	4.06	-100.52
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000441831	1	32	-2.0	-105.83	324.60	6.07	-99.76
COC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000441832	0	35	-2.0	-103.90	323.65	5.64	-98.26
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000441832	1	34	-3.0	-180.08	321.15	5.65	-174.43
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000441833	1	32	-2.0	-105.01	305.39	5.21	-99.80
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000441834	0	32	-2.0	-111.28	322.55	6.18	-105.10
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000441835	1	35	-2.0	-110.82	331.42	6.09	-104.73
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2)=CC=C1C(=O)[O-]	REAL300000441836	1	35	-2.0	-115.30	314.09	5.76	-109.54
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000441838	0	35	-2.0	-117.72	318.56	6.48	-111.24
COC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000441839	1	32	-2.0	-111.19	309.42	5.61	-105.58
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000441840	1	37	-2.0	-113.47	335.44	5.58	-107.89
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000441841	1	38	-2.0	-115.54	329.59	6.54	-109.00
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000441843	1	32	-2.0	-105.22	315.28	5.66	-99.56
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)=CC=C1C(=O)[O-]	REAL300000441844	1	37	-2.0	-123.95	333.18	5.48	-118.47
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000441846	0	38	-2.0	-127.59	337.89	6.50	-121.09
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000441847	1	41	-2.0	-109.22	369.33	6.68	-102.54
COC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=CC=C1C(=O)[O-]	REAL300000441848	0	32	-2.0	-112.77	321.01	6.10	-106.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1[N+](=O)[O-]	REAL300000441849	1	38	-2.0	-112.15	348.20	5.84	-106.31
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000441850	1	44	-2.0	-113.94	368.89	7.41	-106.53
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000441851	1	41	-2.0	-113.95	352.91	7.02	-106.93
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000441852	1	44	-2.0	-113.84	371.37	7.68	-106.16
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000441853	0	38	-3.0	-186.23	349.30	5.46	-180.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000441853	1	39	-2.0	-101.04	336.32	5.23	-95.81
COC1=CC(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000441854	0	39	-2.0	-111.81	355.10	6.94	-104.87
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000441854	1	38	-3.0	-166.24	352.61	6.95	-159.29
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000441855	0	32	-2.0	-115.86	316.30	6.42	-109.44
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CC=C1C(=O)[O-]	REAL300000441856	0	29	-2.0	-107.03	301.67	4.71	-102.32
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000441857	1	41	-2.0	-113.97	357.08	7.31	-106.66
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000441858	0	36	-2.0	-121.46	320.93	4.90	-116.56
COC1=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000441859	0	38	-2.0	-127.38	339.67	6.18	-121.20
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000441860	0	43	-2.0	-121.36	377.32	3.76	-117.60
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=CC=C1C(=O)[O-]	REAL300000441861	0	32	-2.0	-108.69	310.75	5.28	-103.41
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000441862	1	32	-2.0	-106.09	326.15	6.12	-99.97
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000441863	0	32	-2.0	-115.85	305.83	5.65	-110.20
COC1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=CC=C1C(=O)[O-]	REAL300000441864	1	32	-2.0	-111.17	313.98	5.72	-105.45
COC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000441865	1	34	-2.0	-111.85	320.91	5.76	-106.09
COC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)=CC=C1C(=O)[O-]	REAL300000441866	1	37	-2.0	-112.03	336.40	6.54	-105.49
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000441867	1	34	-2.0	-106.09	333.36	6.14	-99.95
COC1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1C(=O)[O-]	REAL300000441868	0	29	-2.0	-112.65	284.62	4.09	-108.56
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000441870	0	34	-2.0	-126.82	311.24	6.48	-120.34
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=CC=C1C(=O)[O-]	REAL300000441873	0	32	-2.0	-110.25	304.59	5.22	-105.03
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300000441874	1	32	-2.0	-111.35	299.10	5.16	-106.19
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300000441875	0	32	-2.0	-105.41	305.51	5.23	-100.18
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=CC=C1C(=O)[O-]	REAL300000441877	1	38	-2.0	-114.67	337.18	4.25	-110.42
COC1=CC([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000441879	1	47	-2.0	-116.68	384.39	8.20	-108.48
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=CC=C1C(=O)[O-]	REAL300000441880	1	32	-2.0	-108.29	309.42	5.61	-102.68
COC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=CC=C1C(=O)[O-]	REAL300000441881	1	32	-2.0	-108.21	313.98	5.72	-102.49
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000441882	0	34	-2.0	-103.36	320.92	5.76	-97.60
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000441883	1	32	-2.0	-114.74	292.68	5.09	-109.65
COC1=CC([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000441884	1	39	-2.0	-120.16	349.06	3.99	-116.17
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)S2)=CC=C1C(=O)[O-]	REAL300000441885	0	32	-2.0	-113.54	306.50	4.89	-108.65
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300000441886	0	41	-2.0	-125.75	356.12	6.93	-118.82
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300000441886	1	40	-3.0	-183.33	353.83	7.01	-176.32
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2OC)=CC=C1C(=O)[O-]	REAL300000441887	0	36	-2.0	-114.51	337.68	5.40	-109.11
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C(=O)[O-]	REAL300000441888	0	34	-3.0	-177.31	326.63	5.71	-171.60
COC1=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000441889	0	29	-2.0	-106.42	315.53	5.24	-101.18
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000441890	1	47	-2.0	-113.83	396.14	8.60	-105.23
COC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000441891	1	37	-2.0	-109.89	330.96	6.37	-103.52
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000441892	0	32	-2.0	-113.65	304.59	5.22	-108.43
COC1=CC(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000441893	0	41	-2.0	-106.59	367.23	7.24	-99.35
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000441893	1	40	-3.0	-165.74	364.72	7.24	-158.50
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000441894	1	42	-2.0	-119.86	369.37	4.80	-115.06
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=CC=C1C(=O)[O-]	REAL300000441895	1	36	-2.0	-110.69	328.43	1.91	-108.78
COC1=CC([N-]S(=O)(=O)C2=CC=C(SC)C=C2)=CC=C1C(=O)[O-]	REAL300000441896	1	36	-2.0	-112.28	332.88	6.11	-106.17
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=CC=C1C(=O)[O-]	REAL300000441897	1	37	-2.0	-111.60	334.71	3.54	-108.06
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=CC=C1C(=O)[O-]	REAL300000441898	1	40	-2.0	-112.57	352.50	4.28	-108.29
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OCC	REAL300000441899	1	46	-2.0	-112.90	395.12	6.14	-106.76
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C(=O)[O-]	REAL300000441901	0	31	-3.0	-172.94	314.34	4.67	-168.27
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=CC=C1C(=O)[O-]	REAL300000441902	1	35	-2.0	-110.21	324.43	2.59	-107.62
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1C(=O)[O-]	REAL300000441903	0	38	-2.0	-124.65	338.44	6.43	-118.22
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1C(=O)[O-]	REAL300000441903	1	37	-3.0	-181.23	336.58	6.44	-174.79
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)=CC=C1C(=O)[O-]	REAL300000441904	0	38	-2.0	-112.72	330.30	4.17	-108.55
COC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300000441905	1	40	-2.0	-111.89	353.69	7.12	-104.77
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000441906	1	38	-2.0	-109.64	347.47	5.75	-103.89
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000441907	1	39	-2.0	-113.86	349.13	3.37	-110.49
COC1=CC([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000441908	1	37	-2.0	-114.79	346.92	0.05	-114.74
COC1=CC([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)=CC=C1C(=O)[O-]	REAL300000441909	1	43	-2.0	-121.01	370.49	6.21	-114.80
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000441910	0	41	-2.0	-123.40	364.86	6.77	-116.63
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000441911	1	36	-2.0	-113.83	327.20	1.87	-111.96
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CCN3C(C)=O)=CC=C1C(=O)[O-]	REAL300000441912	1	43	-2.0	-122.41	371.95	6.15	-116.26
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000441913	1	38	-2.0	-114.23	335.59	6.53	-107.70
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC=C1C(=O)[O-]	REAL300000441914	1	38	-2.0	-117.07	338.63	7.38	-109.69
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=CS1	REAL300000441915	0	35	-2.0	-123.86	332.28	5.41	-118.45
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000441916	1	42	-2.0	-113.31	369.25	5.60	-107.71
COC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000441918	0	39	-2.0	-108.16	354.72	5.93	-102.23
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300000441920	1	43	-2.0	-115.69	376.90	9.21	-106.48
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000441921	1	44	-2.0	-114.21	373.84	7.78	-106.43
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300000441922	1	32	-2.0	-107.68	299.09	5.16	-102.52
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC=C1C(=O)[O-]	REAL300000441923	0	32	-2.0	-118.57	298.16	5.15	-113.42
COC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)=CC=C1C(=O)[O-]	REAL300000441924	0	37	-2.0	-111.77	347.82	4.10	-107.67
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=CC=C1C(=O)[O-]	REAL300000441925	1	37	-2.0	-110.61	335.07	5.61	-105.00
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000441926	0	38	-2.0	-127.03	345.54	3.69	-123.34
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)=CC=C1C(=O)[O-]	REAL300000441927	0	40	-2.0	-130.09	354.01	6.37	-123.72
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000441929	0	35	-2.0	-115.52	327.23	6.32	-109.20
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=CC=C1C(=O)[O-]	REAL300000441930	0	36	-2.0	-116.75	337.42	5.38	-111.37
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=CC=C1C(=O)[O-]	REAL300000441931	1	38	-2.0	-111.30	343.42	2.33	-108.97
COC1=CC([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000441932	1	37	-2.0	-118.75	346.94	0.05	-118.70
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)=CC=C1C(=O)[O-]	REAL300000441933	1	40	-2.0	-111.72	355.99	5.55	-106.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C([N+](=O)[O-])=C1	REAL300000441934	0	38	-2.0	-121.44	343.25	5.80	-115.64
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000441935	1	39	-2.0	-108.75	358.31	4.35	-104.40
COC1=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=CC=C1C(=O)[O-]	REAL300000441936	1	37	-2.0	-108.64	340.37	6.60	-102.04
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)=CC=C1C(=O)[O-]	REAL300000441937	1	38	-2.0	-111.54	346.81	5.05	-106.49
COC1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000441938	1	36	-2.0	-109.05	338.68	4.89	-104.16
COC1=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000441939	1	38	-2.0	-117.97	353.41	2.62	-115.35
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000441941	1	42	-2.0	-117.67	362.51	8.97	-108.70
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000441942	0	32	-2.0	-108.06	312.22	5.72	-102.34
COC1=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=CC=C1C(=O)[O-]	REAL300000441943	0	44	-2.0	-120.97	378.62	4.43	-116.54
COC1=CC([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2F)=CC=C1C(=O)[O-]	REAL300000441944	0	39	-2.0	-124.27	354.25	4.06	-120.21
COC1=CC([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000441945	1	38	-2.0	-121.70	353.40	2.62	-119.08
COC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)=CC=C1C(=O)[O-]	REAL300000441946	1	41	-2.0	-114.93	366.89	7.79	-107.14
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OC	REAL300000441948	0	40	-2.0	-114.51	356.90	4.36	-110.15
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OC	REAL300000441949	1	43	-2.0	-113.47	366.86	5.07	-108.40
COC1=CC(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000441950	0	36	-2.0	-104.88	330.30	4.99	-99.89
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000441950	1	35	-3.0	-177.64	327.80	5.01	-172.63
COC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=CC=C1C(=O)[O-]	REAL300000441951	0	32	-2.0	-120.58	310.15	4.67	-115.91
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000441952	0	37	-2.0	-112.56	334.64	1.26	-111.30
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CC=C1C(=O)[O-]	REAL300000441953	0	39	-2.0	-125.43	347.18	4.50	-120.93
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000441954	0	38	-2.0	-117.16	360.55	6.31	-110.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1Cl	REAL300000441956	1	36	-2.0	-110.85	338.20	4.95	-105.90
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1F	REAL300000441957	1	36	-2.0	-110.77	328.40	4.46	-106.31
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000441960	1	39	-2.0	-109.56	343.27	2.55	-107.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1C(N)=O	REAL300000441961	1	40	-2.0	-111.32	354.50	2.47	-108.85
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300000441962	0	32	-2.0	-111.33	297.24	2.80	-108.53
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)=CC=C1C(=O)[O-]	REAL300000441963	0	37	-2.0	-103.48	336.40	6.54	-96.94
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CN1C	REAL300000441964	0	40	-2.0	-113.01	356.57	2.75	-110.26
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000441965	1	35	-2.0	-111.59	324.90	6.38	-105.21
COC1=CC([N-]S(=O)(=O)C2=CN(C3=CC=C(C)C=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000441967	0	42	-2.0	-112.06	374.66	6.89	-105.17
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)=CC=C1C(=O)[O-]	REAL300000441969	1	43	-2.0	-113.54	368.17	5.22	-108.32
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)=CC=C1C(=O)[O-]	REAL300000441971	1	40	-2.0	-113.76	356.23	4.95	-108.81
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1C(=O)[O-]	REAL300000441972	0	34	-3.0	-168.39	330.27	5.34	-163.05
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000441973	1	33	-2.0	-104.74	328.90	5.90	-98.84
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000441974	1	33	-2.0	-105.37	328.92	5.90	-99.47
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC=C1C(=O)[O-]	REAL300000441975	0	41	-2.0	-124.37	354.33	6.98	-117.39
COC1=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000441976	1	36	-2.0	-119.25	331.05	5.46	-113.79
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C3=NC=CC=C23)=CC=C1C(=O)[O-]	REAL300000441977	1	41	-2.0	-116.64	357.99	4.88	-111.76
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000441978	1	35	-2.0	-111.76	328.15	6.20	-105.56
COC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=CC=C1C(=O)[O-]	REAL300000441979	0	32	-2.0	-115.28	314.37	5.65	-109.63
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2OC)=CC=C1C(=O)[O-]	REAL300000441981	0	38	-2.0	-108.98	349.16	5.55	-103.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C2=CC=CC=C12	REAL300000441982	1	42	-2.0	-119.93	362.06	6.75	-113.18
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000441983	1	35	-2.0	-111.63	319.41	5.80	-105.83
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)=CC=C1C(=O)[O-]	REAL300000441984	1	35	-2.0	-108.54	324.90	6.38	-102.16
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000441985	0	35	-2.0	-118.74	319.60	5.82	-112.92
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000441986	1	35	-2.0	-111.78	314.57	5.93	-105.85
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000441987	0	37	-2.0	-127.52	326.28	7.35	-120.17
COC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)=CC=C1C(=O)[O-]	REAL300000441988	0	40	-2.0	-115.33	358.00	4.34	-110.99
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000441989	1	42	-2.0	-124.03	364.49	4.95	-119.08
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000441993	0	31	-3.0	-174.95	312.81	4.70	-170.25
COC1=CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000441993	1	32	-2.0	-103.96	315.30	4.69	-99.27
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(C)=C2Cl)=CC=C1C(=O)[O-]	REAL300000441994	0	35	-2.0	-116.46	335.04	6.99	-109.47
COC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000441995	1	41	-2.0	-121.22	368.89	3.39	-117.83
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1C(=O)[O-]	REAL300000441996	0	39	-2.0	-134.15	350.95	5.71	-128.44
COC1=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=CC=C1C(=O)[O-]	REAL300000441997	0	29	-2.0	-112.63	305.00	4.67	-107.96
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1O	REAL300000441998	1	39	-2.0	-111.02	356.29	3.78	-107.24
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCNC(C)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000441999	1	45	-2.0	-122.71	396.39	4.88	-117.83
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000442000	0	34	-2.0	-119.29	320.17	6.59	-112.70
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1C(=O)[O-]	REAL300000442001	0	44	-2.0	-123.33	377.11	7.65	-115.68
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1C(=O)[O-]	REAL300000442001	1	43	-3.0	-184.39	375.05	7.67	-176.72
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300000442002	1	42	-2.0	-114.80	366.87	8.50	-106.30
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442003	0	41	-2.0	-123.44	373.64	3.56	-119.88
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442004	1	43	-2.0	-123.72	383.44	4.76	-118.96
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)=CC=C1C(=O)[O-]	REAL300000442007	1	43	-2.0	-124.27	380.76	5.07	-119.20
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000442008	0	36	-2.0	-117.49	323.88	3.46	-114.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442009	0	41	-2.0	-124.01	356.09	7.30	-116.71
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442009	1	40	-3.0	-180.42	351.30	7.38	-173.04
COC1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=CC=C1C(=O)[O-]	REAL300000442010	0	35	-2.0	-117.07	332.20	6.01	-111.06
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442011	0	41	-3.0	-188.07	371.58	6.22	-181.85
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442011	1	42	-2.0	-100.81	358.71	6.02	-94.79
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442012	0	37	-3.0	-186.20	352.06	6.21	-179.99
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442012	1	36	-4.0	-260.12	349.56	6.21	-253.91
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300000442013	0	35	-2.0	-107.62	340.57	4.85	-102.77
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1C(=O)[O-]	REAL300000442014	0	42	-2.0	-126.54	366.49	7.57	-118.97
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1C(=O)[O-]	REAL300000442014	1	41	-3.0	-185.70	365.42	7.56	-178.14
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000442015	0	40	-2.0	-125.34	352.19	7.72	-117.62
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=CC=C1C(=O)[O-]	REAL300000442016	1	36	-2.0	-107.18	330.49	5.47	-101.71
COC1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=CC=C1C(=O)[O-]	REAL300000442017	0	32	-2.0	-111.84	307.60	5.45	-106.39
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCNC(C)=O)S2)=CC=C1C(=O)[O-]	REAL300000442018	0	42	-2.0	-121.54	388.79	4.02	-117.52
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)NC(C)=O)S2)=CC=C1C(=O)[O-]	REAL300000442019	0	42	-2.0	-112.56	386.19	4.07	-108.49
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442020	0	34	-3.0	-171.93	324.16	4.80	-167.13
COC1=CC(NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442020	1	35	-2.0	-103.03	310.76	4.04	-98.99
COC1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=CC=C1C(=O)[O-]	REAL300000442021	0	35	-2.0	-134.31	320.88	4.30	-130.01
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442022	0	38	-2.0	-119.34	352.95	5.80	-113.54
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442023	0	42	-2.0	-123.07	364.21	6.47	-116.60
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000442024	1	35	-2.0	-104.83	337.01	6.15	-98.68
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000442026	0	34	-2.0	-126.77	322.75	7.17	-119.60
COC1=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=CC=C1C(=O)[O-]	REAL300000442027	1	37	-2.0	-124.71	340.96	5.27	-119.44
COC1=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=CC=C1C(=O)[O-]	REAL300000442028	0	31	-2.0	-105.55	309.01	3.89	-101.66
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000442030	0	34	-2.0	-130.52	315.39	6.64	-123.88
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1C(=O)[O-]	REAL300000442031	0	38	-3.0	-181.76	350.14	4.74	-177.02
COC1=CC(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1C(=O)[O-]	REAL300000442031	1	39	-2.0	-107.05	352.22	4.80	-102.25
COC1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000442032	0	39	-2.0	-112.48	353.26	6.21	-106.27
COC1=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000442033	0	42	-2.0	-112.28	378.66	6.66	-105.62
COC1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300000442034	0	31	-2.0	-105.38	294.10	3.37	-102.01
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000442035	1	38	-2.0	-111.30	347.11	6.61	-104.69
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)=CC=C1C(=O)[O-]	REAL300000442036	1	42	-2.0	-111.99	372.93	6.00	-105.99
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442037	0	35	-2.0	-112.97	340.74	4.76	-108.21
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442038	1	40	-2.0	-111.37	351.14	7.49	-103.88
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=CC=C1C(=O)[O-]	REAL300000442039	1	37	-2.0	-115.75	328.85	5.51	-110.24
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=CC=C1C(=O)[O-]	REAL300000442040	0	31	-2.0	-106.46	317.84	4.23	-102.23
COC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CC=C1C(=O)[O-]	REAL300000442041	0	42	-2.0	-107.36	374.81	6.64	-100.72
COC1=CC([N-]S(=O)(=O)C2=CN(C)C=N2)=CC=C1C(=O)[O-]	REAL300000442042	0	32	-2.0	-121.56	296.71	4.20	-117.36
COC1=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)=CC=C1C(=O)[O-]	REAL300000442044	1	40	-2.0	-108.78	359.00	4.83	-103.95
COC1=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)=CC=C1C(=O)[O-]	REAL300000442045	0	36	-2.0	-104.90	332.44	2.07	-102.83
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=CC=C1C(=O)[O-]	REAL300000442046	1	41	-2.0	-115.99	374.23	7.94	-108.05
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=CC=C1C(=O)[O-]	REAL300000442047	0	32	-2.0	-116.11	304.47	5.22	-110.89
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C(F)=C1	REAL300000442048	0	36	-2.0	-116.96	330.67	4.68	-112.28
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442049	0	38	-2.0	-122.21	354.64	7.01	-115.20
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000442050	0	34	-2.0	-119.23	330.50	7.04	-112.19
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C(=O)[O-]	REAL300000442051	0	38	-2.0	-116.89	343.58	6.48	-110.41
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C(=O)[O-]	REAL300000442051	1	37	-3.0	-170.99	341.86	6.48	-164.51
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=CC=C1C(=O)[O-]	REAL300000442052	0	38	-2.0	-120.01	335.83	4.74	-115.27
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C)=N2)=CC=C1C(=O)[O-]	REAL300000442053	0	35	-2.0	-122.85	316.22	4.00	-118.85
COC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442054	0	39	-2.0	-108.15	360.94	5.99	-102.16
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442054	1	38	-3.0	-164.04	358.44	6.00	-158.04
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000442055	0	36	-2.0	-116.88	330.71	5.14	-111.74
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442056	1	41	-2.0	-117.38	369.35	6.67	-110.71
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=N1	REAL300000442057	0	35	-2.0	-111.57	318.77	3.66	-107.91
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000442058	1	44	-2.0	-108.78	390.81	7.47	-101.31
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442059	1	39	-2.0	-116.45	347.76	4.81	-111.64
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442060	0	38	-2.0	-122.24	344.32	6.56	-115.68
COC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000442061	0	35	-2.0	-112.91	336.93	6.16	-106.75
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000442062	0	35	-2.0	-109.55	324.96	6.54	-103.01
COC1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=CC=C1C(=O)[O-]	REAL300000442063	0	32	-2.0	-112.84	324.77	5.19	-107.65
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1C(=O)[O-]	REAL300000442064	0	42	-2.0	-134.83	372.80	6.62	-128.21
COC1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=CC=C1C(=O)[O-]	REAL300000442065	1	37	-2.0	-112.86	328.66	4.39	-108.47
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1F	REAL300000442066	1	41	-2.0	-107.34	373.88	6.69	-100.65
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000442067	0	32	-2.0	-111.29	312.22	5.72	-105.57
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3=COC(C)=N3)C=C2)=CC=C1C(=O)[O-]	REAL300000442068	1	41	-2.0	-116.99	369.08	4.16	-112.83
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000442070	1	36	-2.0	-108.27	336.99	1.94	-106.33
COC1=CC([N-]S(=O)(=O)C2=CNN=C2C)=CC=C1C(=O)[O-]	REAL300000442071	0	32	-2.0	-109.61	293.10	2.14	-107.47
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442072	1	36	-2.0	-116.37	322.19	4.39	-111.98
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C)=CC=C1C(=O)[O-]	REAL300000442073	1	35	-2.0	-115.27	307.75	5.89	-109.38
COC1=CC([N-]S(=O)(=O)C2=C(C)N=C(NC(C)=O)S2)=CC=C1C(=O)[O-]	REAL300000442074	0	38	-2.0	-117.41	354.30	3.33	-114.08
COC1=CC([N-]S(=O)(=O)C2=C(C)N=C([N-]C(C)=O)S2)=CC=C1C(=O)[O-]	REAL300000442074	1	37	-3.0	-173.70	352.31	2.12	-171.58
COC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2)=CC=C1C(=O)[O-]	REAL300000442075	0	32	-2.0	-119.25	297.53	2.64	-116.61
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C)=CC=C1C(=O)[O-]	REAL300000442076	0	32	-2.0	-106.00	292.93	2.73	-103.27
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000442079	0	35	-2.0	-118.11	319.60	5.83	-112.28
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000442080	1	35	-2.0	-108.10	319.40	5.79	-102.31
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)O1	REAL300000442081	0	35	-2.0	-107.75	332.23	3.89	-103.86
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000442082	0	37	-2.0	-130.20	332.61	5.73	-124.47
COC1=CC(NS(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442083	0	35	-2.0	-122.08	332.72	5.51	-116.57
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442083	1	34	-3.0	-176.76	329.75	5.55	-171.21
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1C	REAL300000442084	1	41	-2.0	-116.43	357.02	6.43	-110.00
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442085	0	36	-2.0	-116.48	335.30	4.95	-111.53
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000442086	0	34	-2.0	-105.88	323.34	4.32	-101.56
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442087	0	38	-2.0	-122.72	351.78	2.63	-120.09
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000442089	1	41	-2.0	-119.84	369.64	6.54	-113.30
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCN(C(C)=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000442091	1	43	-2.0	-135.20	371.86	6.14	-129.06
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)=CC=C1C(=O)[O-]	REAL300000442092	0	44	-2.0	-113.36	371.88	5.71	-107.65
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CS2)=CC=C1C(=O)[O-]	REAL300000442093	0	32	-2.0	-115.25	303.45	4.72	-110.53
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442094	1	38	-2.0	-111.31	364.20	6.26	-105.05
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1C	REAL300000442095	0	41	-2.0	-112.83	352.12	5.04	-107.79
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1C	REAL300000442096	1	41	-2.0	-109.82	363.49	6.28	-103.54
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)=CC=C1C(=O)[O-]	REAL300000442097	0	37	-2.0	-103.78	336.90	6.28	-97.50
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000442098	1	40	-2.0	-126.08	352.27	3.55	-122.53
COC1=CC([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000442099	1	41	-2.0	-127.92	377.71	3.30	-124.62
COC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000442100	1	36	-2.0	-111.95	328.95	6.27	-105.68
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(NC(C)=O)=C2)=CC=C1C(=O)[O-]	REAL300000442101	1	39	-2.0	-120.80	353.59	4.10	-116.70
COC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000442102	0	37	-2.0	-113.14	342.37	6.35	-106.79
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000442103	1	44	-2.0	-114.53	346.10	7.98	-106.55
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C3OC(C)CC3=C2)=CC=C1C(=O)[O-]	REAL300000442104	1	40	-2.0	-110.62	366.47	6.21	-104.41
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(NC(C)=O)=C2)=CC=C1C(=O)[O-]	REAL300000442105	1	42	-2.0	-131.53	366.56	4.84	-126.69
COC1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2OC)=CC=C1C(=O)[O-]	REAL300000442106	0	36	-2.0	-116.04	330.33	5.56	-110.48
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)=CC=C1C(=O)[O-]	REAL300000442107	1	36	-2.0	-107.78	328.94	6.26	-101.52
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442108	1	44	-2.0	-116.27	357.42	8.32	-107.95
COC1=CC([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=CC=C1C(=O)[O-]	REAL300000442109	1	41	-2.0	-120.90	361.36	5.16	-115.74
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1OC	REAL300000442110	1	42	-2.0	-112.76	374.77	5.79	-106.97
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=CC=C1C(=O)[O-]	REAL300000442111	0	33	-2.0	-110.30	318.99	5.55	-104.75
COC1=CC([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)=CC=C1C(=O)[O-]	REAL300000442112	1	37	-2.0	-112.04	336.34	2.75	-109.29
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000442113	0	38	-2.0	-111.41	337.46	4.18	-107.23
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)=CC=C1C(=O)[O-]	REAL300000442114	0	37	-2.0	-117.05	330.51	1.58	-115.47
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=CC=C1C(=O)[O-]	REAL300000442115	1	37	-2.0	-114.81	333.66	5.49	-109.32
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=N1	REAL300000442116	0	38	-2.0	-117.25	352.04	3.86	-113.39
COC1=CC([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=CC=C1C(=O)[O-]	REAL300000442117	0	38	-2.0	-120.55	336.66	3.53	-117.02
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000442118	0	35	-2.0	-116.38	334.53	6.89	-109.49
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C3=CC=CC=N3)N=C2)=CC=C1C(=O)[O-]	REAL300000442120	0	41	-2.0	-116.50	364.89	6.48	-110.02
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442122	1	32	-2.0	-99.97	311.68	5.27	-94.70
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000442123	1	43	-2.0	-111.93	375.31	6.93	-105.00
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CN1C	REAL300000442125	0	39	-2.0	-117.15	353.86	5.20	-111.95
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000442126	1	47	-2.0	-113.83	383.11	7.88	-105.95
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000442127	0	34	-3.0	-163.91	334.20	6.21	-157.70
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000442127	1	35	-2.0	-105.28	334.69	5.74	-99.54
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442128	0	35	-2.0	-109.73	328.17	5.69	-104.04
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442128	1	34	-3.0	-164.79	325.67	5.69	-159.10
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)=CC=C1C(=O)[O-]	REAL300000442129	1	40	-2.0	-123.14	359.15	4.50	-118.64
COC1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=CC=C1C(=O)[O-]	REAL300000442130	0	39	-2.0	-115.54	357.65	6.37	-109.17
COC1=CC([N-]S(=O)(=O)C2=CC=C(N(C)C(C)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000442131	1	42	-2.0	-122.35	360.31	5.34	-117.01
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000442132	1	38	-2.0	-108.70	339.73	6.43	-102.27
COC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=CC=C1C(=O)[O-]	REAL300000442133	0	35	-2.0	-108.79	337.51	3.17	-105.62
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C(=O)[O-]	REAL300000442134	0	31	-3.0	-167.12	313.42	4.78	-162.34
COC1=CC([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=CC=C1C(=O)[O-]	REAL300000442135	0	41	-2.0	-121.69	357.40	6.07	-115.62
COC1=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442136	0	35	-2.0	-100.91	330.06	5.71	-95.20
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442136	1	34	-3.0	-170.24	327.56	5.72	-164.52
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1C(=O)[O-]	REAL300000442137	0	37	-3.0	-178.77	346.91	6.35	-172.42
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000442138	1	46	-2.0	-111.31	385.50	7.15	-104.16
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CN1	REAL300000442139	0	36	-2.0	-114.76	336.09	3.44	-111.32
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C(=O)[O-]	REAL300000442140	0	34	-3.0	-165.27	326.62	5.72	-159.55
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C(=O)[O-]	REAL300000442140	1	35	-2.0	-109.09	319.81	5.30	-103.79
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000442141	0	35	-2.0	-106.79	336.15	6.05	-100.74
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000442141	1	34	-3.0	-163.17	333.64	6.05	-157.12
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C)=CC=C1C(=O)[O-]	REAL300000442142	1	35	-2.0	-110.79	313.49	5.90	-104.89
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1C	REAL300000442143	1	41	-2.0	-111.76	363.50	6.27	-105.49
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CS1	REAL300000442144	0	35	-2.0	-113.50	339.96	4.78	-108.72
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1F	REAL300000442145	1	38	-2.0	-107.25	352.02	5.77	-101.48
COC1=CC([N-]S(=O)(=O)C2=C(C)N=C(C)S2)=CC=C1C(=O)[O-]	REAL300000442146	0	34	-2.0	-111.54	319.20	3.59	-107.95
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=CC=C1C(=O)[O-]	REAL300000442147	1	36	-2.0	-120.19	334.93	6.27	-113.92
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)=CC=C1C(=O)[O-]	REAL300000442148	1	40	-2.0	-103.13	351.04	7.43	-95.70
COC1=CC(NS(=O)(=O)C2=CC=C([O-])C(NC(C)=O)=C2)=CC=C1C(=O)[O-]	REAL300000442149	1	40	-2.0	-107.38	357.77	2.02	-105.36
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1C(=O)[O-]	REAL300000442150	0	38	-2.0	-117.79	352.29	6.86	-110.93
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1C(=O)[O-]	REAL300000442150	1	37	-3.0	-172.93	350.60	6.86	-166.07
COC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000442151	1	38	-2.0	-111.15	347.24	6.87	-104.28
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442152	1	38	-2.0	-115.59	335.58	6.52	-109.07
COC1=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000442153	0	35	-2.0	-110.95	348.33	7.04	-103.91
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300000442154	1	35	-2.0	-111.28	320.50	5.83	-105.45
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442155	0	38	-2.0	-108.75	350.58	4.55	-104.20
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=CC=C1C(=O)[O-]	REAL300000442156	1	38	-2.0	-111.00	344.07	4.15	-106.85
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442157	0	37	-2.0	-100.05	351.84	6.32	-93.73
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442157	1	36	-3.0	-164.19	349.34	6.32	-157.87
COC1=CC([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=CC=C1C(=O)[O-]	REAL300000442158	0	35	-2.0	-115.50	346.03	6.98	-108.52
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442159	0	42	-2.0	-124.07	375.63	5.55	-118.52
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442160	1	44	-2.0	-118.70	380.16	7.09	-111.61
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)=CC=C1C(=O)[O-]	REAL300000442162	0	35	-2.0	-110.28	324.90	5.85	-104.43
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000442163	0	38	-2.0	-122.28	344.48	8.17	-114.11
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000442164	1	38	-2.0	-122.64	333.74	7.40	-115.24
COC1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=CC=C1C(=O)[O-]	REAL300000442165	0	34	-2.0	-111.50	324.68	4.58	-106.92
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C(=O)[O-]	REAL300000442166	0	35	-3.0	-180.15	330.87	3.36	-176.79
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300000442166	1	35	-3.0	-178.84	319.90	4.25	-174.59
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=CC=C1C(=O)[O-]	REAL300000442167	1	42	-2.0	-118.48	348.01	7.72	-110.76
COC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000442168	0	38	-2.0	-106.95	345.84	6.43	-100.52
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000442168	1	37	-3.0	-170.52	343.32	6.43	-164.09
COC1=CC([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000442169	1	39	-2.0	-114.81	362.86	4.61	-110.20
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)O1	REAL300000442170	0	38	-2.0	-107.85	354.10	4.82	-103.03
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442171	0	34	-2.0	-103.90	327.31	5.83	-98.07
COC1=CC([N-]S(=O)(=O)C2=CC(C(C)=O)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000442172	0	37	-2.0	-124.33	348.52	6.14	-118.19
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)=CC=C1C(=O)[O-]	REAL300000442173	1	44	-2.0	-113.41	383.40	6.64	-106.77
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)SC=C1	REAL300000442174	0	33	-2.0	-122.39	314.86	3.39	-119.00
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442175	1	41	-2.0	-120.75	374.87	3.51	-117.24
COC1=CC([N-]S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)=CC=C1C(=O)[O-]	REAL300000442176	0	38	-2.0	-111.48	346.44	6.38	-105.10
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CC=C1C(=O)[O-]	REAL300000442177	0	35	-2.0	-115.38	322.46	5.48	-109.90
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)=CC=C1C(=O)[O-]	REAL300000442178	0	40	-2.0	-131.94	354.20	6.33	-125.61
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)=CC=C1C(=O)[O-]	REAL300000442179	1	43	-2.0	-110.44	375.99	4.61	-105.83
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000442180	1	38	-2.0	-114.39	348.10	7.83	-106.56
COC1=CC([N-]S(=O)(=O)C2=C(C)C3=C(F)C=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000442181	0	38	-2.0	-117.72	352.66	7.13	-110.59
COC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)=CC=C1C(=O)[O-]	REAL300000442182	0	37	-2.0	-112.22	346.71	6.48	-105.74
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442183	0	34	-2.0	-118.63	325.94	3.85	-114.78
COC1=CC([N-]S(=O)(=O)C2=CN3N=C(C)C(Cl)=C3N=C2)=CC=C1C(=O)[O-]	REAL300000442184	0	37	-2.0	-104.10	353.67	5.05	-99.05
COC1=CC([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)=CC=C1C(=O)[O-]	REAL300000442185	1	34	-2.0	-106.83	340.96	5.00	-101.83
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=CC=C1C(=O)[O-]	REAL300000442186	0	32	-2.0	-104.06	308.72	4.01	-100.05
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=CC=C1C(=O)[O-]	REAL300000442187	0	32	-2.0	-117.43	313.04	3.92	-113.51
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CC(OC)=C1	REAL300000442188	1	40	-2.0	-117.01	351.67	3.70	-113.31
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=CC=C1C(=O)[O-]	REAL300000442189	0	33	-2.0	-118.40	308.52	3.84	-114.56
COC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300000442190	0	40	-2.0	-127.16	343.77	7.90	-119.26
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=CC=C1C(=O)[O-]	REAL300000442191	0	33	-2.0	-105.62	314.91	2.93	-102.69
COC1=CC([N-]S(=O)(=O)C2=CN=C(C)S2)=CC=C1C(=O)[O-]	REAL300000442192	0	31	-2.0	-110.11	301.22	2.92	-107.19
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1Cl	REAL300000442193	1	38	-2.0	-107.19	360.00	6.13	-101.06
COC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)=CC=C1C(=O)[O-]	REAL300000442194	1	37	-2.0	-105.79	340.48	6.57	-99.22
COC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000442195	0	38	-2.0	-104.26	332.63	6.30	-97.96
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000442195	1	37	-3.0	-176.56	331.23	6.29	-170.27
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000442197	1	39	-2.0	-131.76	357.30	2.96	-128.80
COC1=CC(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442198	0	38	-2.0	-105.23	348.48	6.30	-98.93
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442198	1	37	-3.0	-178.21	345.99	6.30	-171.91
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1C(=O)[O-]	REAL300000442199	0	38	-2.0	-111.47	338.42	6.43	-105.04
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442200	0	38	-2.0	-119.76	351.60	6.20	-113.56
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C(C)N1	REAL300000442201	0	45	-2.0	-113.75	388.67	5.79	-107.96
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000442202	0	35	-2.0	-113.41	324.88	5.86	-107.55
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(OC)=C2)=CC=C1C(=O)[O-]	REAL300000442203	0	38	-2.0	-103.82	348.21	5.84	-97.98
COC1=CC(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442204	0	41	-2.0	-130.59	360.45	6.82	-123.77
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=CC=C1C(=O)[O-]	REAL300000442205	1	38	-2.0	-123.65	350.43	7.91	-115.74
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442206	0	36	-3.0	-176.98	347.71	6.74	-170.24
COC1=CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442206	1	37	-2.0	-109.45	350.20	6.74	-102.71
COC1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000442207	0	35	-2.0	-110.95	338.02	6.60	-104.35
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1CC	REAL300000442208	1	44	-2.0	-115.93	369.74	7.66	-108.27
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1C(=O)[O-]	REAL300000442209	0	34	-3.0	-168.28	332.91	5.78	-162.50
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442210	1	37	-2.0	-104.69	345.73	6.42	-98.27
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=CC=C1C(=O)[O-]	REAL300000442211	0	31	-2.0	-111.70	311.69	4.54	-107.16
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=CC=C1C(=O)[O-]	REAL300000442212	0	38	-2.0	-121.20	338.30	5.48	-115.72
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=N1	REAL300000442213	0	37	-2.0	-105.92	343.43	3.93	-101.99
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000442214	0	31	-2.0	-104.14	318.12	4.27	-99.87
COC1=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000442215	0	41	-2.0	-108.29	356.96	7.04	-101.25
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000442216	0	37	-3.0	-178.67	342.63	6.25	-172.42
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000442216	1	38	-2.0	-100.29	335.88	5.83	-94.46
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1C(=O)[O-]	REAL300000442217	0	37	-3.0	-178.00	352.92	6.79	-171.21
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1C(=O)[O-]	REAL300000442217	1	38	-2.0	-115.50	353.41	6.31	-109.19
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1C(=O)[O-]	REAL300000442218	0	37	-3.0	-185.23	346.19	6.34	-178.89
COC1=CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=CC=C1C(=O)[O-]	REAL300000442219	0	32	-2.0	-102.39	319.93	5.57	-96.82
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442220	1	40	-2.0	-124.39	355.77	6.36	-118.03
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=N1	REAL300000442221	0	39	-2.0	-109.98	352.44	2.71	-107.27
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C([N+](=O)[O-])=N1	REAL300000442222	0	37	-2.0	-118.73	343.01	5.93	-112.80
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1C(=O)[O-]	REAL300000442223	0	41	-2.0	-102.86	357.58	6.83	-96.03
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1C(=O)[O-]	REAL300000442223	1	40	-3.0	-182.44	355.40	6.84	-175.60
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000442224	0	43	-2.0	-111.61	369.86	3.64	-107.97
COC1=CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)=CC=C1C(=O)[O-]	REAL300000442227	0	38	-2.0	-109.76	343.48	5.59	-104.17
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=CC=C1C(=O)[O-]	REAL300000442228	0	41	-2.0	-113.84	365.68	6.74	-107.10
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442229	0	38	-2.0	-121.41	340.18	5.85	-115.56
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=CC=C1C(=O)[O-]	REAL300000442230	0	40	-2.0	-109.98	350.75	2.86	-107.12
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=CC=C1C(=O)[O-]	REAL300000442232	0	35	-2.0	-119.46	318.49	5.81	-113.65
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=N1	REAL300000442233	0	38	-2.0	-107.70	341.74	2.72	-104.98
COC1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=CC=C1C(=O)[O-]	REAL300000442234	0	39	-2.0	-123.40	338.47	5.14	-118.26
COC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1CC(=O)[O-]	REAL300000442235	0	42	-2.0	-121.68	374.12	5.78	-115.90
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000442236	1	39	-2.0	-114.32	347.75	4.82	-109.50
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442237	0	37	-2.0	-118.27	331.96	2.08	-116.19
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)=CC=C1C(=O)[O-]	REAL300000442238	0	35	-2.0	-116.62	324.57	6.23	-110.39
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C)=C2)=CC=C1C(=O)[O-]	REAL300000442240	0	35	-2.0	-112.37	315.67	4.67	-107.70
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=CC=C1C(=O)[O-]	REAL300000442241	0	38	-2.0	-119.09	338.95	2.76	-116.33
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442243	1	41	-2.0	-110.47	375.74	6.74	-103.73
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442244	1	39	-2.0	-113.39	339.29	5.13	-108.26
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C(C(=O)OC)O1	REAL300000442245	0	41	-2.0	-109.19	369.69	5.52	-103.67
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)O2)=CC=C1C(=O)[O-]	REAL300000442247	0	32	-2.0	-113.01	297.29	3.91	-109.10
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)S2)=CC=C1C(=O)[O-]	REAL300000442248	0	35	-2.0	-114.39	326.34	5.51	-108.88
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=CC=C1C(=O)[O-]	REAL300000442249	1	35	-2.0	-110.98	318.73	3.75	-107.23
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000442250	0	40	-2.0	-130.49	346.32	6.86	-123.63
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=CC=C1C(=O)[O-]	REAL300000442251	0	38	-2.0	-124.62	341.98	7.12	-117.50
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442252	0	38	-2.0	-118.55	344.32	6.56	-111.99
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442253	0	34	-2.0	-101.68	325.42	5.79	-95.89
COC1=CC(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000442254	0	38	-2.0	-100.82	349.35	6.81	-94.01
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000442254	1	37	-3.0	-169.45	347.41	6.85	-162.60
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000442255	1	32	-2.0	-105.73	315.83	5.68	-100.05
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C(C)O1	REAL300000442256	0	38	-2.0	-109.09	350.53	4.66	-104.43
COC1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000442257	0	31	-2.0	-105.57	304.44	3.78	-101.79
COC1=CC(NS(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442258	0	38	-2.0	-102.40	354.87	6.60	-95.80
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442258	1	37	-3.0	-177.48	352.38	6.61	-170.87
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)N=C1C	REAL300000442259	0	38	-2.0	-122.78	338.24	4.90	-117.88
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000442260	0	35	-2.0	-116.06	327.23	6.32	-109.74
CCN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1C(=O)[O-]	REAL300000442261	0	39	-2.0	-105.39	351.68	5.86	-99.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1C(=O)[O-]	REAL300000442261	1	38	-3.0	-179.01	349.18	5.88	-173.13
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442262	0	35	-2.0	-112.02	332.57	3.84	-108.18
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442263	0	44	-2.0	-114.16	368.83	5.68	-108.48
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CN1C	REAL300000442264	0	42	-2.0	-116.67	375.72	6.13	-110.54
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000442265	1	40	-2.0	-108.81	354.72	7.15	-101.66
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000442266	0	32	-2.0	-118.90	308.74	5.90	-113.00
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)=CC=C1C(=O)[O-]	REAL300000442267	0	34	-2.0	-113.21	322.59	4.41	-108.80
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2OC)=CC=C1C(=O)[O-]	REAL300000442268	0	37	-2.0	-113.45	341.74	5.29	-108.16
COC1=CC([N-]S(=O)(=O)C2=CC=C(SC)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000442269	1	36	-2.0	-110.65	347.89	6.57	-104.08
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300000442270	0	34	-2.0	-109.75	322.70	3.67	-106.08
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(OC)=C3)C=C12	REAL300000442271	0	39	-2.0	-104.23	353.93	2.80	-101.43
COC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)S2)=CC=C1C(=O)[O-]	REAL300000442272	0	34	-2.0	-108.67	331.99	5.47	-103.20
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CN=C1Cl	REAL300000442273	0	35	-2.0	-104.00	333.54	3.05	-100.95
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(OC)=C3)=CC=C21	REAL300000442274	1	41	-2.0	-111.46	368.62	6.05	-105.41
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000442275	0	34	-2.0	-103.84	327.41	4.33	-99.51
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442276	1	38	-2.0	-110.94	353.88	5.81	-105.13
COC1=CC([N-]S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)=CC=C1C(=O)[O-]	REAL300000442277	0	47	-2.0	-113.22	385.50	6.10	-107.12
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2C)=CC=C1C(=O)[O-]	REAL300000442278	1	39	-2.0	-110.34	342.78	5.21	-105.13
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000442279	0	33	-2.0	-108.06	326.58	6.05	-102.01
COC1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CC=C1C(=O)[O-]	REAL300000442280	0	35	-2.0	-122.61	320.62	5.41	-117.20
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442281	0	37	-2.0	-110.48	342.64	3.95	-106.53
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442282	0	43	-2.0	-123.19	382.83	5.20	-117.99
COC1=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=CC=C1C(=O)[O-]	REAL300000442283	0	29	-2.0	-107.51	297.07	3.83	-103.68
COC1=CC([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)OC(C)=N2)=CC=C1C(=O)[O-]	REAL300000442284	0	41	-2.0	-120.20	367.02	4.21	-115.99
COC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)=CC=C1C(=O)[O-]	REAL300000442285	1	40	-2.0	-113.05	352.40	7.06	-105.99
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C=C2OC)=CC=C1C(=O)[O-]	REAL300000442286	0	42	-2.0	-121.36	356.23	6.85	-114.51
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442288	1	44	-2.0	-117.87	384.77	7.46	-110.41
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=CC=C1C(=O)[O-]	REAL300000442289	0	32	-2.0	-106.84	327.86	6.20	-100.64
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)=CC=C1C(=O)[O-]	REAL300000442290	0	32	-2.0	-107.51	321.67	5.31	-102.20
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C(OC)=C1	REAL300000442291	0	42	-2.0	-115.49	375.68	5.55	-109.94
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000442292	1	35	-2.0	-114.06	324.87	5.96	-108.10
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=CC=C1C(=O)[O-]	REAL300000442293	0	35	-2.0	-109.29	336.94	6.16	-103.13
COC1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000442294	0	35	-2.0	-111.01	330.62	3.99	-107.02
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2SC)=CC=C1C(=O)[O-]	REAL300000442295	1	36	-2.0	-121.25	328.78	6.16	-115.09
COC1=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=CC=C1C(=O)[O-]	REAL300000442296	1	35	-2.0	-115.18	338.07	2.32	-112.86
COC1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000442297	0	40	-2.0	-108.42	362.13	6.39	-102.03
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)C)=CC=C1C(=O)[O-]	REAL300000442298	1	41	-2.0	-117.63	346.70	7.09	-110.54
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C(C)=CS1	REAL300000442299	0	38	-2.0	-123.86	347.91	6.27	-117.59
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1F	REAL300000442300	1	36	-2.0	-107.31	328.40	4.47	-102.84
COC1=CC([N-]S(=O)(=O)C2=CN=NN2C)=CC=C1C(=O)[O-]	REAL300000442301	0	31	-2.0	-101.21	287.15	1.51	-99.70
COC1=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=CC=C1C(=O)[O-]	REAL300000442302	1	37	-2.0	-109.02	337.04	4.23	-104.79
COC1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442303	0	31	-2.0	-105.50	313.86	4.86	-100.64
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000442305	1	40	-2.0	-115.73	359.89	3.31	-112.42
COC1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CC=C1C(=O)[O-]	REAL300000442306	0	36	-2.0	-115.40	320.67	4.54	-110.86
COC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000442307	0	33	-2.0	-111.66	326.60	6.05	-105.61
COC1=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000442308	0	35	-2.0	-111.81	336.65	4.16	-107.65
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442309	1	38	-2.0	-113.98	322.93	6.82	-107.16
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442310	0	40	-2.0	-127.76	346.66	5.60	-122.16
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2F)=CC=C1C(=O)[O-]	REAL300000442312	0	35	-2.0	-119.14	312.29	6.07	-113.07
COC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=CC=C1C(=O)[O-]	REAL300000442313	0	36	-2.0	-127.04	331.07	5.17	-121.87
COC1=CC([N-]S(=O)(=O)C2=C(C)N(CC3CC3)N=C2C)=CC=C1C(=O)[O-]	REAL300000442314	0	45	-2.0	-112.82	383.79	6.60	-106.22
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)=CC=C1C(=O)[O-]	REAL300000442315	0	40	-2.0	-129.98	350.56	6.28	-123.70
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000442316	1	36	-2.0	-117.42	343.94	2.38	-115.04
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=CC=C1C(=O)[O-]	REAL300000442317	0	33	-2.0	-120.67	317.46	3.41	-117.26
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442318	0	35	-2.0	-110.81	317.26	2.57	-108.24
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OC	REAL300000442319	0	42	-2.0	-110.38	374.76	5.80	-104.58
COC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2C)OCO3)=CC=C1C(=O)[O-]	REAL300000442321	1	38	-2.0	-111.73	333.78	4.55	-107.18
COC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2OC)=CC=C1C(=O)[O-]	REAL300000442322	0	38	-2.0	-113.39	343.07	6.37	-107.02
COC1=CC(NS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442323	0	38	-2.0	-121.68	357.39	6.72	-114.96
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442323	1	37	-3.0	-174.38	354.90	6.72	-167.66
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000442324	1	42	-2.0	-113.54	363.75	4.95	-108.59
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442325	0	41	-2.0	-128.23	359.75	7.42	-120.81
COC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=CC=C1C(=O)[O-]	REAL300000442326	0	38	-2.0	-122.60	353.88	6.64	-115.96
COC1=CC([N-]S(=O)(=O)C2=CN=C(NC(C)=O)S2)=CC=C1C(=O)[O-]	REAL300000442327	0	35	-2.0	-117.35	337.64	2.59	-114.76
COC1=CC([N-]S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)=CC=C1C(=O)[O-]	REAL300000442327	1	34	-3.0	-171.99	334.35	1.46	-170.53
COC1=CC([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442328	1	39	-2.0	-114.27	353.88	4.11	-110.16
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442329	1	36	-2.0	-109.95	338.16	4.74	-105.21
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442330	1	35	-2.0	-104.03	337.02	6.15	-97.88
COC1=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)=CC=C1C(=O)[O-]	REAL300000442331	0	37	-2.0	-115.85	349.47	0.70	-115.15
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=CC=C1C(=O)[O-]	REAL300000442332	1	36	-2.0	-117.45	325.53	6.36	-111.09
COC1=CC([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=CC=C1C(=O)[O-]	REAL300000442333	1	36	-2.0	-120.18	334.93	6.26	-113.92
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000442334	0	32	-2.0	-108.75	322.55	6.17	-102.58
COC1=CC([N-]S(=O)(=O)C2=C(C)ON=C2N)=CC=C1C(=O)[O-]	REAL300000442336	0	33	-2.0	-104.10	299.12	2.50	-101.60
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000442337	0	32	-2.0	-107.13	322.69	6.48	-100.65
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442338	0	36	-2.0	-117.69	337.68	5.40	-112.29
COC1=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000442339	0	33	-2.0	-109.81	320.19	3.87	-105.94
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442340	1	39	-2.0	-116.78	337.65	5.16	-111.62
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=CC=C1C(=O)[O-]	REAL300000442343	0	30	-2.0	-105.66	305.19	4.64	-101.02
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2)=CC=C1C(=O)[O-]	REAL300000442344	0	34	-2.0	-111.41	309.29	3.92	-107.49
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=CC=C1C(=O)[O-]	REAL300000442345	0	37	-2.0	-113.76	333.87	5.46	-108.30
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C(F)=C1	REAL300000442346	0	38	-2.0	-112.48	352.94	5.82	-106.66
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1F	REAL300000442347	0	38	-2.0	-108.54	352.00	5.78	-102.76
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442348	0	40	-2.0	-124.15	368.83	6.93	-117.22
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000442349	1	36	-2.0	-107.26	332.66	5.98	-101.28
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442350	0	31	-2.0	-100.43	310.43	3.78	-96.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C(F)=C1	REAL300000442352	0	36	-2.0	-115.60	327.67	4.45	-111.15
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000442353	0	40	-2.0	-125.92	353.47	8.28	-117.64
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000442354	1	38	-2.0	-114.88	353.67	6.88	-108.00
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000442356	1	35	-2.0	-112.66	326.86	6.02	-106.64
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000442357	1	42	-2.0	-118.71	366.89	8.51	-110.20
COC1=CC([N-]S(=O)(=O)C2=C(C)C=NN2C)=CC=C1C(=O)[O-]	REAL300000442359	0	35	-2.0	-106.85	309.57	3.56	-103.29
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442360	0	41	-2.0	-118.70	374.81	6.73	-111.97
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=CC=C1C(=O)[O-]	REAL300000442361	0	30	-2.0	-105.94	296.62	3.64	-102.30
COC1=CC([N-]S(=O)(=O)C2=CSC=C2)=CC=C1C(=O)[O-]	REAL300000442362	0	29	-2.0	-110.81	283.79	4.00	-106.81
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442363	0	43	-2.0	-123.24	376.02	4.60	-118.64
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1C(=O)[O-]	REAL300000442364	0	38	-2.0	-109.53	339.65	6.19	-103.34
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=N1	REAL300000442365	0	35	-2.0	-107.70	319.89	1.78	-105.92
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000442366	0	32	-2.0	-113.59	314.92	5.67	-107.92
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442367	0	41	-2.0	-116.35	370.22	7.87	-108.48
COC1=CC([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000442368	0	41	-2.0	-116.00	366.04	7.58	-108.42
COC1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300000442369	0	35	-2.0	-115.80	329.25	6.46	-109.34
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442370	1	44	-2.0	-120.75	391.51	7.46	-113.29
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)N(C)N=C1	REAL300000442371	0	41	-2.0	-113.99	363.79	5.10	-108.89
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1C	REAL300000442372	1	44	-2.0	-111.95	385.36	7.20	-104.75
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=CC=C1C(=O)[O-]	REAL300000442373	0	43	-2.0	-126.13	370.55	6.32	-119.81
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=CC=C1C(=O)[O-]	REAL300000442374	0	35	-2.0	-118.76	319.29	3.73	-115.03
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)=CC=C1C(=O)[O-]	REAL300000442375	1	38	-2.0	-107.07	346.91	6.86	-100.21
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442376	1	39	-2.0	-116.41	344.04	5.32	-111.09
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=CC=C1C(=O)[O-]	REAL300000442377	0	32	-2.0	-115.20	315.03	5.95	-109.25
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)=CC=C1C(=O)[O-]	REAL300000442378	1	41	-2.0	-116.70	359.99	8.03	-108.67
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=CC=C1C(=O)[O-]	REAL300000442379	0	29	-2.0	-113.63	300.67	4.56	-109.07
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CS2)=CC=C1C(=O)[O-]	REAL300000442380	0	32	-2.0	-112.54	306.26	4.75	-107.79
COC1=CC([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000442381	1	45	-2.0	-119.02	388.67	5.44	-113.58
COC1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC=C1C(=O)[O-]	REAL300000442382	0	29	-2.0	-109.75	290.98	1.90	-107.85
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=CC=C1C(=O)[O-]	REAL300000442383	0	37	-2.0	-121.70	347.20	6.15	-115.55
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=CC=C1C(=O)[O-]	REAL300000442384	0	31	-2.0	-108.15	299.61	3.21	-104.94
COC1=CC([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000442385	0	41	-2.0	-108.47	357.22	4.17	-104.30
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000442386	0	41	-2.0	-108.15	361.86	3.64	-104.51
COC1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=CC=C1C(=O)[O-]	REAL300000442389	0	35	-2.0	-109.86	328.87	5.55	-104.31
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000442390	0	35	-2.0	-116.42	345.21	7.10	-109.32
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442391	0	37	-2.0	-120.27	339.72	4.08	-116.19
COC1=CC([N-]S(=O)(=O)C2=CC(C)=NS2)=CC=C1C(=O)[O-]	REAL300000442392	0	31	-2.0	-106.63	301.18	3.39	-103.24
COC1=CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300000442394	0	36	-2.0	-103.59	330.57	4.69	-98.90
COC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000442394	1	36	-2.0	-112.52	341.52	3.80	-108.72
COC1=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000442395	0	38	-2.0	-108.77	348.60	6.50	-102.27
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=CC=C1C(=O)[O-]	REAL300000442396	1	39	-2.0	-114.02	341.91	7.20	-106.82
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC=C1C(=O)[O-]	REAL300000442397	0	29	-2.0	-116.02	290.97	4.15	-111.87
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)=CC3=C2)=CC=C1C(=O)[O-]	REAL300000442398	1	41	-2.0	-110.82	363.76	4.84	-105.98
COC1=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=CC=C1C(=O)[O-]	REAL300000442399	0	38	-2.0	-126.36	353.51	3.52	-122.84
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000442400	0	35	-2.0	-113.10	331.33	3.94	-109.16
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=CC=C1C(=O)[O-]	REAL300000442401	1	41	-2.0	-113.63	357.52	6.70	-106.93
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442402	1	33	-2.0	-104.86	319.39	5.52	-99.34
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C([N+](=O)[O-])C=C2F)=CC=C1C(=O)[O-]	REAL300000442403	0	37	-2.0	-105.77	345.05	6.45	-99.32
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC=C1C(=O)[O-]	REAL300000442404	0	38	-2.0	-125.94	342.94	6.47	-119.47
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=CC=C1C(=O)[O-]	REAL300000442405	0	33	-2.0	-111.66	325.58	4.39	-107.27
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000442406	0	36	-3.0	-188.52	344.88	7.52	-181.00
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C(F)C=C1C	REAL300000442409	0	41	-2.0	-113.23	368.96	6.35	-106.88
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=CC=C1C(=O)[O-]	REAL300000442410	0	32	-2.0	-105.50	325.27	5.28	-100.22
COC1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=CC=C1C(=O)[O-]	REAL300000442411	0	37	-2.0	-119.11	329.68	2.01	-117.10
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)S2)=CC=C1C(=O)[O-]	REAL300000442412	0	35	-2.0	-116.24	325.31	5.54	-110.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CN=C1C	REAL300000442413	0	40	-2.0	-106.26	358.93	4.44	-101.82
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)=CC=C1C(=O)[O-]	REAL300000442414	0	34	-2.0	-105.11	320.24	4.47	-100.64
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000442415	1	38	-2.0	-107.14	347.11	6.60	-100.54
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442416	1	41	-2.0	-120.92	369.64	6.53	-114.39
COC1=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=CC=C1C(=O)[O-]	REAL300000442417	1	34	-2.0	-104.76	332.43	4.97	-99.79
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000442419	0	35	-2.0	-112.77	313.36	3.33	-109.44
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000442420	1	36	-2.0	-114.62	323.78	6.18	-108.44
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442421	1	45	-2.0	-125.12	386.64	5.95	-119.17
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C)=CC=C1C(=O)[O-]	REAL300000442422	0	35	-2.0	-112.25	316.07	3.45	-108.80
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442423	1	39	-2.0	-111.87	364.49	5.32	-106.55
COC1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000442424	0	32	-2.0	-110.41	308.36	2.62	-107.79
COC1=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000442425	0	38	-2.0	-106.99	338.98	5.02	-101.97
COC1=CC([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)=CC=C1C(=O)[O-]	REAL300000442426	1	34	-2.0	-111.38	340.85	5.02	-106.36
COC1=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=CC=C1C(=O)[O-]	REAL300000442427	0	40	-2.0	-104.58	363.84	3.66	-100.92
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000442428	1	39	-2.0	-119.53	348.68	4.85	-114.68
COC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=CC=C1C(=O)[O-]	REAL300000442429	0	35	-2.0	-110.70	329.90	2.66	-108.04
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1Cl	REAL300000442430	1	36	-2.0	-107.92	338.21	4.95	-102.97
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C(=O)[O-]	REAL300000442431	0	34	-3.0	-184.52	324.77	5.68	-178.84
COC1=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=CC=C1C(=O)[O-]	REAL300000442432	0	29	-2.0	-117.34	292.02	3.10	-114.24
COC1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=CC=C1C(=O)[O-]	REAL300000442433	0	34	-2.0	-124.64	323.89	4.51	-120.13
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=CC=C1C(=O)[O-]	REAL300000442434	1	37	-2.0	-116.68	328.49	4.94	-111.74
COC1=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=CC=C1C(=O)[O-]	REAL300000442435	0	38	-2.0	-121.52	343.20	7.41	-114.11
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=CC=C1C(=O)[O-]	REAL300000442436	0	35	-2.0	-117.26	332.85	4.16	-113.10
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442437	0	38	-2.0	-118.87	361.09	6.62	-112.25
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000442439	0	35	-2.0	-115.83	319.81	6.60	-109.23
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000442440	0	36	-2.0	-112.26	337.10	5.23	-107.03
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CC=C1C(=O)[O-]	REAL300000442441	0	37	-2.0	-123.81	329.00	4.93	-118.88
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1F	REAL300000442442	1	41	-2.0	-116.74	375.10	6.58	-110.16
COC1=CC([N-]S(=O)(=O)C2=C(C)SC3=C(C)C=CC=C32)=CC=C1C(=O)[O-]	REAL300000442443	0	41	-2.0	-116.74	363.78	8.10	-108.64
COC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000442448	0	35	-2.0	-120.72	322.60	6.06	-114.66
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=CC=C1C(=O)[O-]	REAL300000442449	0	31	-2.0	-106.49	317.73	4.29	-102.20
COC1=CC([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000442450	0	32	-2.0	-108.79	316.26	3.25	-105.54
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=CC=C1C(=O)[O-]	REAL300000442451	1	37	-2.0	-113.52	336.54	3.56	-109.96
COC1=CC(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442453	0	38	-2.0	-120.82	348.59	6.32	-114.50
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442453	1	37	-3.0	-172.28	346.09	6.33	-165.95
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442455	0	36	-2.0	-117.87	327.35	4.94	-112.93
COC1=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=CC=C1C(=O)[O-]	REAL300000442456	1	35	-2.0	-104.71	332.27	4.19	-100.52
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1[N+](=O)[O-]	REAL300000442457	1	40	-2.0	-112.51	355.10	6.92	-105.59
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442458	0	48	-2.0	-123.12	397.10	7.22	-115.90
COC1=CC([N-]S(=O)(=O)C2=CN=C(OC)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000442460	0	35	-2.0	-104.66	335.95	2.33	-102.33
COC1=CC([N-]S(=O)(=O)C2=CON=C2C)=CC=C1C(=O)[O-]	REAL300000442461	0	31	-2.0	-104.69	291.45	3.01	-101.68
COC1=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000442462	1	36	-2.0	-109.35	342.43	3.24	-106.11
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000442463	1	35	-2.0	-108.98	328.17	6.19	-102.79
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000442464	1	38	-2.0	-123.02	340.78	6.08	-116.94
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442465	0	41	-2.0	-119.55	373.22	6.44	-113.11
COC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC(C)=C2)=CC=C1C(=O)[O-]	REAL300000442466	0	34	-2.0	-120.11	327.27	6.28	-113.83
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=CC=C1C(=O)[O-]	REAL300000442468	1	35	-2.0	-109.15	334.69	3.29	-105.86
COC1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC=C1C(=O)[O-]	REAL300000442469	0	31	-2.0	-115.80	293.17	3.28	-112.52
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC=C1C(=O)[O-]	REAL300000442471	0	31	-2.0	-104.45	294.09	3.25	-101.20
COC1=CC([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000442473	0	34	-2.0	-111.94	343.28	5.09	-106.85
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442474	0	39	-2.0	-117.97	360.45	6.84	-111.13
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442476	1	32	-2.0	-105.55	315.28	5.66	-99.89
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=CC=C1C(=O)[O-]	REAL300000442477	0	41	-2.0	-120.26	354.38	5.46	-114.80
COC1=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=CC=C1C(=O)[O-]	REAL300000442478	1	39	-2.0	-119.19	357.78	2.95	-116.24
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=CC=C1C(=O)[O-]	REAL300000442479	0	40	-2.0	-123.84	344.87	6.31	-117.53
COC1=CC([N-]S(=O)(=O)C2=COC(C(=O)N(C)C)=C2C)=CC=C1C(=O)[O-]	REAL300000442480	0	42	-2.0	-113.18	365.59	4.00	-109.18
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C(F)=C1	REAL300000442481	0	41	-2.0	-111.95	374.80	6.74	-105.21
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000442484	1	39	-2.0	-124.52	348.61	2.53	-121.99
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)N(C)N=C1	REAL300000442487	0	38	-2.0	-113.72	341.92	4.17	-109.55
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1C	REAL300000442488	1	43	-2.0	-116.57	377.40	4.18	-112.39
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442490	1	45	-2.0	-116.85	382.72	6.75	-110.10
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000442493	0	37	-2.0	-119.13	337.94	7.19	-111.94
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=CN1CC1CC1	REAL300000442494	0	45	-2.0	-123.27	386.80	6.89	-116.38
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)O1	REAL300000442495	0	38	-2.0	-108.30	350.13	4.47	-103.83
COC1=CC([N-]S(=O)(=O)C2=CC=C3CN(C(C)=O)CC3=C2)=CC=C1C(=O)[O-]	REAL300000442496	1	43	-2.0	-120.31	377.67	5.66	-114.65
COC1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=CC=C1C(=O)[O-]	REAL300000442497	0	35	-2.0	-110.54	332.44	4.60	-105.94
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000442498	1	40	-2.0	-109.61	356.76	7.42	-102.19
COC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=CC=C1C(=O)[O-]	REAL300000442499	0	35	-2.0	-100.57	334.30	3.72	-96.85
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=CC=C1C(=O)[O-]	REAL300000442500	0	31	-2.0	-108.80	310.07	3.70	-105.10
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=CC=C1C(=O)[O-]	REAL300000442501	1	42	-2.0	-125.06	358.79	8.49	-116.57
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)=CC=C1C(=O)[O-]	REAL300000442502	0	35	-2.0	-116.03	324.81	5.87	-110.16
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)OC=C1	REAL300000442503	0	35	-2.0	-120.50	324.82	4.55	-115.95
COC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000442505	0	34	-2.0	-125.41	319.78	4.08	-121.33
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C(C)=N1	REAL300000442506	0	44	-2.0	-111.97	380.60	5.86	-106.11
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C(=O)[O-]	REAL300000442508	0	33	-3.0	-176.73	318.14	3.71	-173.02
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)=CC=C1C(=O)[O-]	REAL300000442509	0	36	-2.0	-114.36	325.45	5.23	-109.13
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442511	1	44	-2.0	-111.19	370.91	7.35	-103.84
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000442512	1	33	-2.0	-105.76	319.94	5.55	-100.21
COC1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000442513	0	35	-2.0	-108.87	325.81	3.73	-105.14
COC1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=CC=C1C(=O)[O-]	REAL300000442514	0	34	-2.0	-125.35	315.86	4.29	-121.06
COC1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=CC=C1C(=O)[O-]	REAL300000442514	1	34	-2.0	-112.25	315.96	4.15	-108.10
COC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300000442515	0	36	-2.0	-121.07	326.43	5.07	-116.00
COC1=CC([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=CC=C1C(=O)[O-]	REAL300000442516	0	42	-2.0	-110.23	353.67	5.21	-105.02
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000442517	0	44	-2.0	-111.68	361.11	5.71	-105.97
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000442518	0	42	-2.0	-111.30	360.11	5.44	-105.86
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2Br)=CC=C1C(=O)[O-]	REAL300000442519	0	32	-2.0	-111.87	317.94	3.30	-108.57
COC1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300000442521	0	33	-2.0	-104.57	297.92	3.75	-100.82
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000442521	1	33	-2.0	-113.23	308.88	2.85	-110.38
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000442522	1	42	-2.0	-113.86	369.89	7.87	-105.99
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442523	0	35	-2.0	-126.82	323.68	2.76	-124.06
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442524	0	38	-2.0	-112.40	335.54	4.25	-108.15
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442525	1	37	-2.0	-113.68	338.49	5.58	-108.10
COC1=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=CC=C1C(=O)[O-]	REAL300000442526	0	32	-2.0	-106.71	297.91	2.45	-104.26
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000442527	1	35	-2.0	-107.73	329.35	5.99	-101.74
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=CC=C1C(=O)[O-]	REAL300000442530	1	39	-2.0	-118.02	356.43	7.05	-110.97
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442532	0	32	-2.0	-103.92	311.94	0.89	-103.03
COC1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC=C1C(=O)[O-]	REAL300000442534	0	28	-2.0	-106.57	279.43	2.79	-103.78
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1C(=O)[O-]	REAL300000442536	0	38	-3.0	-170.56	349.35	5.46	-165.10
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1C(=O)[O-]	REAL300000442536	1	39	-2.0	-105.17	336.39	5.24	-99.93
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000442537	0	36	-2.0	-113.00	332.20	0.71	-112.29
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442538	1	41	-2.0	-114.76	344.40	7.61	-107.15
COC1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=CC=C1C(=O)[O-]	REAL300000442539	0	32	-2.0	-108.83	312.92	5.00	-103.83
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442540	0	31	-3.0	-165.65	321.31	4.65	-161.00
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=CC=C1C(=O)[O-]	REAL300000442541	1	37	-2.0	-122.65	328.94	5.60	-117.05
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442542	0	39	-2.0	-114.49	353.11	5.34	-109.15
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=CC=C1C(=O)[O-]	REAL300000442543	0	33	-2.0	-116.32	318.53	5.51	-110.81
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442544	0	35	-2.0	-104.23	347.25	4.37	-99.86
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000442545	0	39	-2.0	-111.53	342.59	4.77	-106.76
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=CC=C1C(=O)[O-]	REAL300000442546	0	39	-2.0	-108.31	339.98	4.98	-103.33
COC1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=CC=C1C(=O)[O-]	REAL300000442547	0	42	-2.0	-108.56	362.05	5.69	-102.87
COC1=CC([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=CC=C1C(=O)[O-]	REAL300000442548	0	43	-2.0	-119.22	367.74	3.11	-116.11
COC1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=CC=C1C(=O)[O-]	REAL300000442549	0	38	-2.0	-112.55	359.53	6.00	-106.55
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=CC=C1C(=O)[O-]	REAL300000442550	1	38	-2.0	-111.78	343.43	2.32	-109.46
COC1=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=CC=C1C(=O)[O-]	REAL300000442551	0	29	-2.0	-111.26	293.36	3.82	-107.44
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(OC)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000442552	1	36	-2.0	-103.88	338.56	4.64	-99.24
COC1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=CC=C1C(=O)[O-]	REAL300000442553	0	39	-2.0	-113.20	335.60	5.16	-108.04
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1F	REAL300000442554	0	36	-2.0	-111.66	333.87	4.53	-107.13
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000442556	0	42	-2.0	-119.53	367.13	6.48	-113.05
COC1=CC([N-]S(=O)(=O)C2=C(C)SC=C2C)=CC=C1C(=O)[O-]	REAL300000442557	0	35	-2.0	-110.46	315.74	5.80	-104.66
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=CC=C1C(=O)[O-]	REAL300000442558	0	40	-2.0	-124.94	349.86	5.68	-119.26
COC1=CC([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=CC=C1C(=O)[O-]	REAL300000442559	0	40	-2.0	-110.70	361.36	4.76	-105.94
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300000442560	1	40	-2.0	-116.44	360.91	7.31	-109.13
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC(F)=C2OC)=CC=C1C(=O)[O-]	REAL300000442561	0	36	-2.0	-116.91	332.68	5.71	-111.20
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=CC=C1C(=O)[O-]	REAL300000442562	0	38	-2.0	-119.74	346.37	5.72	-114.02
COC1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=CC=C1C(=O)[O-]	REAL300000442563	0	29	-2.0	-111.71	298.11	4.53	-107.18
COC1=CC([N-]S(=O)(=O)C2=CC(Br)=NN2C)=CC=C1C(=O)[O-]	REAL300000442564	0	32	-2.0	-102.10	314.64	3.22	-98.88
COC1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000442565	0	34	-2.0	-104.56	326.85	4.29	-100.27
COC1=CC([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)=CC=C1C(=O)[O-]	REAL300000442566	0	37	-2.0	-127.88	334.44	4.68	-123.20
COC1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=CC=C1C(=O)[O-]	REAL300000442567	1	33	-2.0	-103.46	307.57	3.88	-99.58
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000442568	0	35	-2.0	-115.54	331.54	6.53	-109.01
COC1=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=CC=C1C(=O)[O-]	REAL300000442569	0	35	-2.0	-127.74	337.60	4.80	-122.94
COC1=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=CC=C1C(=O)[O-]	REAL300000442570	0	39	-2.0	-106.94	343.62	4.87	-102.07
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)=CC=C1C(=O)[O-]	REAL300000442571	1	41	-2.0	-111.25	348.43	7.44	-103.81
COC1=CC([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)=CC=C1C(=O)[O-]	REAL300000442572	0	40	-2.0	-119.05	348.42	5.02	-114.03
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000442573	1	41	-2.0	-120.16	361.02	2.31	-117.85
COC1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300000442574	0	35	-2.0	-115.93	322.46	5.39	-110.54
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC(OC)=C2OC)=CC=C1C(=O)[O-]	REAL300000442575	0	40	-2.0	-122.10	355.68	5.37	-116.73
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)=CC=C1C(=O)[O-]	REAL300000442576	0	45	-2.0	-115.54	381.48	6.00	-109.54
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=CC=C1C(=O)[O-]	REAL300000442577	0	39	-2.0	-114.74	347.99	5.03	-109.71
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=CC=C1C(=O)[O-]	REAL300000442579	0	35	-2.0	-121.23	322.12	4.30	-116.93
COC1=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=CC=C1C(=O)[O-]	REAL300000442580	0	37	-2.0	-130.88	337.23	3.50	-127.38
COC1=CC([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=CC=C1C(=O)[O-]	REAL300000442581	0	39	-2.0	-115.46	333.63	7.00	-108.46
COC1=CC([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000442582	1	36	-2.0	-113.46	320.70	2.81	-110.65
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442583	0	32	-2.0	-111.22	309.98	0.98	-110.24
COC1=CC([N-]S(=O)(=O)C2=C(C)NC=N2)=CC=C1C(=O)[O-]	REAL300000442584	0	32	-2.0	-121.04	291.80	3.20	-117.84
COC1=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300000442586	1	35	-2.0	-112.31	326.41	5.47	-106.84
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=CC=C1C(=O)[O-]	REAL300000442587	0	42	-2.0	-115.03	364.23	5.50	-109.53
COC1=CC([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)=CC=C1C(=O)[O-]	REAL300000442588	1	50	-2.0	-118.83	406.92	9.02	-109.81
COC1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=CC=C1C(=O)[O-]	REAL300000442589	0	29	-2.0	-111.31	298.53	4.63	-106.68
COC1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000442590	0	42	-2.0	-111.93	366.66	5.74	-106.19
COC1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=CC=C1C(=O)[O-]	REAL300000442591	0	36	-2.0	-117.51	329.43	6.29	-111.22
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000442592	1	45	-2.0	-123.18	382.49	3.50	-119.68
COC1=CC([N-]S(=O)(=O)C2=C(OC)C=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000442593	0	41	-2.0	-138.82	358.12	6.30	-132.52
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442594	1	41	-2.0	-115.67	357.08	7.30	-108.37
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442595	0	38	-2.0	-105.57	348.96	3.44	-102.13
COC1=CC([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=CC=C1C(=O)[O-]	REAL300000442596	0	39	-2.0	-111.07	338.38	4.62	-106.45
COC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442597	0	36	-2.0	-101.05	349.13	6.43	-94.62
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000442599	0	41	-2.0	-106.22	339.67	5.00	-101.22
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000442600	0	41	-2.0	-112.21	357.18	4.81	-107.40
COC1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=CC=C1C(=O)[O-]	REAL300000442601	0	39	-2.0	-112.24	341.23	4.18	-108.06
COC1=CC([N-]S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000442602	0	37	-2.0	-104.25	343.61	4.92	-99.33
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000442603	0	43	-2.0	-111.18	366.96	5.91	-105.27
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442604	0	34	-2.0	-98.71	331.71	5.84	-92.87
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000442605	1	35	-2.0	-105.00	337.83	6.16	-98.84
COC1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=CC=C1C(=O)[O-]	REAL300000442606	1	35	-2.0	-113.86	320.67	5.91	-107.95
COC1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=CC=C1C(=O)[O-]	REAL300000442607	0	32	-2.0	-112.70	314.22	5.47	-107.23
COC1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000442608	0	32	-2.0	-106.07	324.43	5.20	-100.87
COC1=CC([N-]S(=O)(=O)C2=CC(C)=NN2C)=CC=C1C(=O)[O-]	REAL300000442609	0	35	-2.0	-106.72	314.87	3.32	-103.40
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300000442611	1	38	-2.0	-115.45	325.89	6.43	-109.02
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=CC=C1C(=O)[O-]	REAL300000442612	0	35	-2.0	-114.61	314.61	6.26	-108.35
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442613	1	43	-2.0	-123.90	377.27	7.12	-116.78
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)=CC=C1C(=O)[O-]	REAL300000442615	1	42	-2.0	-117.48	372.93	6.78	-110.70
COC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000442617	0	37	-2.0	-112.04	351.47	5.58	-106.46
COC1=CC([N-]S(=O)(=O)C2=CC=C(COC(C)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000442618	1	41	-2.0	-114.58	371.11	6.75	-107.83
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=CC=C1C(=O)[O-]	REAL300000442619	0	33	-2.0	-113.76	325.33	5.94	-107.82
COC1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000442620	0	32	-2.0	-113.85	312.71	5.34	-108.51
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=CC=C1C(=O)[O-]	REAL300000442621	1	39	-2.0	-115.57	341.92	7.20	-108.37
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=CS1	REAL300000442622	0	33	-2.0	-117.93	314.93	3.55	-114.38
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000442623	0	35	-2.0	-112.56	324.96	6.54	-106.02
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442624	0	38	-2.0	-109.11	358.87	5.44	-103.67
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=CC=C1C(=O)[O-]	REAL300000442625	0	39	-2.0	-116.85	347.41	7.26	-109.59
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=CC=C1C(=O)[O-]	REAL300000442626	0	42	-2.0	-108.70	357.44	5.71	-102.99
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442627	0	41	-2.0	-109.59	353.83	4.93	-104.66
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000442628	1	41	-2.0	-120.39	363.93	2.61	-117.78
COC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)=CC=C1C(=O)[O-]	REAL300000442629	0	35	-2.0	-119.54	346.63	1.59	-117.95
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=CC=C1C(=O)[O-]	REAL300000442630	0	37	-2.0	-123.33	336.29	3.46	-119.87
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)O1	REAL300000442631	0	35	-2.0	-113.06	318.77	4.70	-108.36
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=CC=C1C(=O)[O-]	REAL300000442632	0	32	-2.0	-106.26	316.55	4.32	-101.94
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2OC)=CC=C1C(=O)[O-]	REAL300000442633	0	36	-2.0	-110.62	333.61	5.02	-105.60
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)=CC=C1C(=O)[O-]	REAL300000442634	0	46	-2.0	-113.98	391.02	4.23	-109.75
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000442635	1	38	-2.0	-113.75	345.90	6.62	-107.13
COC1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000442636	1	36	-2.0	-113.52	331.94	4.67	-108.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300000442638	0	33	-2.0	-110.79	316.48	3.54	-107.25
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000442639	0	43	-2.0	-131.09	364.13	7.44	-123.65
COC1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CC=C1C(=O)[O-]	REAL300000442641	0	35	-2.0	-109.30	325.36	3.79	-105.51
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442642	1	42	-2.0	-116.70	369.61	5.78	-110.92
COC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)=CC=C1C(=O)[O-]	REAL300000442643	0	35	-2.0	-109.04	344.36	4.56	-104.48
COC1=CC([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)=CC=C1C(=O)[O-]	REAL300000442644	0	42	-2.0	-108.91	372.36	6.29	-102.62
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000442645	0	45	-2.0	-111.07	379.08	6.03	-105.04
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CC=C1C(=O)[O-]	REAL300000442647	1	35	-2.0	-116.70	314.33	6.01	-110.69
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442648	1	44	-2.0	-119.26	379.38	7.69	-111.57
COC1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC=C1C(=O)[O-]	REAL300000442649	0	35	-2.0	-116.12	318.19	5.50	-110.62
COC1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=CC=C1C(=O)[O-]	REAL300000442650	1	34	-2.0	-115.32	323.63	4.48	-110.84
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=N1	REAL300000442651	0	34	-2.0	-110.94	313.40	1.97	-108.97
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1Cl	REAL300000442652	0	35	-2.0	-109.41	334.38	4.03	-105.38
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=CC=C1C(=O)[O-]	REAL300000442653	0	34	-2.0	-107.33	332.90	4.28	-103.05
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC=C1C(=O)[O-]	REAL300000442654	0	29	-2.0	-107.30	292.44	3.71	-103.59
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=CC=C1C(=O)[O-]	REAL300000442655	1	37	-2.0	-122.69	345.89	6.07	-116.62
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000442656	1	41	-2.0	-123.26	351.47	7.94	-115.32
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=CC=C1C(=O)[O-]	REAL300000442658	0	32	-2.0	-108.48	320.20	5.70	-102.78
COC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C)O2)=CC=C1C(=O)[O-]	REAL300000442659	0	38	-2.0	-122.85	356.31	1.39	-121.46
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000442660	0	42	-2.0	-116.90	370.08	6.52	-110.38
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=CC=C1C(=O)[O-]	REAL300000442662	0	36	-2.0	-113.88	336.51	6.40	-107.48
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000442663	0	35	-2.0	-105.03	338.14	5.90	-99.13
COC1=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=CC=C1C(=O)[O-]	REAL300000442665	0	28	-2.0	-103.60	296.62	3.52	-100.08
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CO2)=CC=C1C(=O)[O-]	REAL300000442666	0	32	-2.0	-112.32	297.28	3.77	-108.55
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300000442667	1	42	-2.0	-113.97	379.37	6.99	-106.98
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=NN1	REAL300000442668	0	38	-2.0	-111.67	353.05	2.89	-108.78
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1OC	REAL300000442669	0	37	-2.0	-114.82	346.58	3.77	-111.05
COC1=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000442670	0	33	-2.0	-98.58	329.78	3.66	-94.92
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000442670	1	32	-3.0	-164.97	329.27	4.12	-160.85
COC1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000442671	0	31	-2.0	-100.14	310.32	3.73	-96.41
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000442672	1	36	-2.0	-112.71	338.18	4.74	-107.97
COC1=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=CC=C1C(=O)[O-]	REAL300000442673	0	38	-2.0	-111.46	337.11	5.03	-106.43
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=CC=C1C(=O)[O-]	REAL300000442674	1	39	-2.0	-120.45	346.39	6.86	-113.59
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000442675	0	35	-2.0	-115.72	323.37	6.48	-109.24
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=CC=C1C(=O)[O-]	REAL300000442676	0	29	-2.0	-103.08	317.77	5.19	-97.89
COC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000442677	0	32	-2.0	-109.09	312.55	3.16	-105.93
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000442678	1	37	-2.0	-111.70	345.37	5.77	-105.93
COC1=CC([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000442679	1	43	-2.0	-116.31	381.37	7.93	-108.38
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=CC=C1C(=O)[O-]	REAL300000442680	0	38	-2.0	-126.46	330.54	6.92	-119.54
COC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=CC=C1C(=O)[O-]	REAL300000442681	0	30	-2.0	-114.19	294.54	3.57	-110.62
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)=CC=C1C(=O)[O-]	REAL300000442682	1	37	-2.0	-111.36	347.55	3.67	-107.69
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=CC=C1C(=O)[O-]	REAL300000442683	0	33	-2.0	-114.87	334.19	3.88	-110.99
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300000442684	0	41	-2.0	-117.01	374.61	4.15	-112.86
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300000442684	1	40	-3.0	-173.26	371.32	3.03	-170.23
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)=CC=C1C(=O)[O-]	REAL300000442685	0	34	-2.0	-105.57	320.43	4.48	-101.09
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442686	1	43	-2.0	-117.21	376.32	6.72	-110.49
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C(C2CC2)=N1	REAL300000442687	0	42	-2.0	-114.94	369.52	5.90	-109.04
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)=CC=C1C(=O)[O-]	REAL300000442688	0	36	-2.0	-121.79	330.71	4.46	-117.33
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=CC=C1C(=O)[O-]	REAL300000442689	1	38	-2.0	-112.19	355.33	7.88	-104.31
COC1=CC([N-]S(=O)(=O)C2=CC(C)=NN2C2CCCC2)=CC=C1C(=O)[O-]	REAL300000442691	0	45	-2.0	-109.54	379.46	6.30	-103.24
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC=C1C(=O)[O-]	REAL300000442692	0	29	-2.0	-110.43	291.48	3.60	-106.83
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CC=C1C(=O)[O-]	REAL300000442693	0	29	-2.0	-107.84	301.50	4.60	-103.24
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300000442694	0	46	-2.0	-122.27	397.52	5.38	-116.89
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=CC=C1C(=O)[O-]	REAL300000442695	0	38	-2.0	-117.77	351.55	7.93	-109.84
COC1=CC([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=CC=C1C(=O)[O-]	REAL300000442696	0	40	-2.0	-108.13	345.00	2.84	-105.29
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=CC=C1C(=O)[O-]	REAL300000442697	1	39	-2.0	-118.58	336.24	7.26	-111.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C(C)=N1	REAL300000442701	1	38	-2.0	-107.77	335.54	2.54	-105.23
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)=CC=C1C(=O)[O-]	REAL300000442702	0	38	-2.0	-117.89	340.08	2.93	-114.96
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2OC)=CC=C1C(=O)[O-]	REAL300000442703	0	35	-2.0	-111.99	335.39	2.78	-109.21
COC1=CC([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000442704	0	38	-2.0	-108.52	340.00	2.51	-106.01
COC1=CC([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000442705	0	41	-2.0	-111.75	360.09	5.19	-106.56
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)=CC=C1C(=O)[O-]	REAL300000442706	0	41	-2.0	-112.46	356.30	4.83	-107.63
COC1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=CC=C1C(=O)[O-]	REAL300000442707	0	31	-2.0	-110.35	320.03	3.08	-107.27
COC1=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=CC=C1C(=O)[O-]	REAL300000442708	0	30	-2.0	-113.42	295.66	3.50	-109.92
COC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=CC=C1C(=O)[O-]	REAL300000442709	0	30	-2.0	-117.03	304.74	4.45	-112.58
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)C)=CC=C1C(=O)[O-]	REAL300000442710	0	38	-2.0	-107.37	334.41	4.37	-103.00
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1C	REAL300000442711	0	40	-2.0	-106.28	359.47	4.47	-101.81
COC1=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C(=O)[O-]	REAL300000442712	0	42	-2.0	-105.21	369.78	7.53	-97.68
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C(=O)[O-]	REAL300000442712	1	41	-3.0	-173.46	367.28	7.54	-165.92
COC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000442713	0	35	-2.0	-120.11	334.55	6.90	-113.21
COC1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CC=C1C(=O)[O-]	REAL300000442714	0	39	-2.0	-107.42	344.90	5.23	-102.19
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000442715	0	39	-2.0	-116.23	348.93	6.10	-110.13
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000442717	0	41	-2.0	-113.30	355.78	4.90	-108.40
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000442718	1	39	-2.0	-120.89	352.54	7.30	-113.59
COC1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000442719	0	34	-2.0	-108.96	320.04	4.11	-104.85
COC1=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=CC=C1C(=O)[O-]	REAL300000442720	0	32	-2.0	-111.79	332.10	1.22	-110.57
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000442722	1	39	-2.0	-115.30	354.19	7.33	-107.97
COC1=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=CC=C1C(=O)[O-]	REAL300000442723	0	36	-2.0	-115.76	343.15	5.57	-110.19
COC1=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C(=O)[O-]	REAL300000442724	0	42	-2.0	-109.24	369.09	7.53	-101.71
COC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C(=O)[O-]	REAL300000442724	1	41	-3.0	-178.33	366.59	7.54	-170.79
COC1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC=C1C(=O)[O-]	REAL300000442725	1	33	-2.0	-114.62	303.70	2.24	-112.38
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442726	1	41	-2.0	-118.44	357.52	6.77	-111.67
COC1=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000442727	0	35	-2.0	-123.01	332.36	6.09	-116.92
COC1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC=C1C(=O)[O-]	REAL300000442728	0	28	-2.0	-104.99	278.34	2.70	-102.29
COC1=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000442729	0	36	-2.0	-123.49	340.58	4.37	-119.12
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=CC=C1C(=O)[O-]	REAL300000442730	1	39	-2.0	-120.49	348.51	7.39	-113.10
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2Cl)=CC=C1C(=O)[O-]	REAL300000442731	0	35	-2.0	-113.25	339.73	6.70	-106.55
COC1=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000442732	0	39	-2.0	-113.09	360.63	6.16	-106.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C(C(F)F)=C1	REAL300000442733	1	39	-2.0	-120.41	343.14	5.69	-114.72
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442734	0	37	-2.0	-121.69	333.48	4.68	-117.01
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300000442735	0	38	-2.0	-131.25	342.03	6.64	-124.61
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000442736	0	40	-2.0	-130.57	350.41	6.25	-124.32
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000442737	0	37	-3.0	-172.28	343.28	5.66	-166.62
CCC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000442737	1	38	-2.0	-118.52	348.04	5.51	-113.01
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000442738	0	45	-2.0	-123.88	382.13	7.08	-116.80
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000442739	0	32	-2.0	-107.82	317.96	5.49	-102.33
COC1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC=C1C(=O)[O-]	REAL300000442740	0	28	-2.0	-109.15	279.27	2.21	-106.94
COC1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=CC=C1C(=O)[O-]	REAL300000442741	0	39	-2.0	-114.21	338.41	4.42	-109.79
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000442742	0	35	-2.0	-118.74	319.60	5.82	-112.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1F	REAL300000442746	1	38	-2.0	-116.79	355.08	5.77	-111.02
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)=C1	REAL300000442749	1	34	-2.0	-111.64	335.59	6.61	-105.03
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)=C1	REAL300000442752	1	34	-2.0	-108.76	332.42	6.03	-102.73
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)=C1	REAL300000442754	0	31	-2.0	-109.70	315.71	5.08	-104.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)=C1	REAL300000442759	0	34	-2.0	-102.67	336.07	5.66	-97.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)=CS1	REAL300000442761	1	31	-2.0	-111.09	314.17	5.08	-106.01
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)C=C(C(=O)[O-])O1	REAL300000442764	1	34	-2.0	-109.83	325.52	5.18	-104.65
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)=C1	REAL300000442765	1	38	-2.0	-115.98	351.44	5.14	-110.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)C(Cl)=C1	REAL300000442768	1	34	-2.0	-97.66	339.99	6.53	-91.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)S1	REAL300000442770	0	31	-2.0	-104.55	314.78	5.19	-99.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)=C1F	REAL300000442772	1	37	-2.0	-110.11	352.69	6.67	-103.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)C(F)=C1	REAL300000442773	1	34	-2.0	-99.40	332.40	6.04	-93.36
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=NNC=N3)C=C2F)=C1	REAL300000442776	0	35	-2.0	-111.80	331.28	4.55	-107.25
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)=C1	REAL300000442782	1	34	-2.0	-100.67	338.68	6.10	-94.57
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)C=C1C(=O)[O-]	REAL300000442784	1	37	-2.0	-115.61	347.83	6.75	-108.86
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)=C1	REAL300000442785	1	37	-2.0	-119.84	347.56	6.74	-113.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)=C1F	REAL300000442790	1	34	-2.0	-119.04	326.15	6.07	-112.97
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)=C1	REAL300000442792	0	33	-2.0	-109.80	323.15	4.09	-105.71
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC=N2)C=C1F	REAL300000442793	1	38	-2.0	-104.00	355.14	5.77	-98.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)=C(Cl)O1	REAL300000442794	0	31	-2.0	-99.81	327.05	4.95	-94.86
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC=N3)C=C2F)C=C(C(=O)[O-])O1	REAL300000442795	1	37	-2.0	-109.89	344.63	6.03	-103.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=NNC=N2)=CC=C1F	REAL300000442799	1	38	-2.0	-123.55	350.71	5.84	-117.71
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)=C1	REAL300000442802	1	34	-2.0	-113.47	335.63	6.62	-106.85
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)=C1	REAL300000442805	1	34	-2.0	-115.25	328.04	6.11	-109.14
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)=C1	REAL300000442807	0	31	-2.0	-112.09	315.75	5.08	-107.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)=C1	REAL300000442812	1	34	-2.0	-108.20	331.67	5.74	-102.46
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000442817	1	34	-2.0	-111.55	325.57	5.19	-106.36
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)=C1	REAL300000442818	1	38	-2.0	-119.09	351.55	5.14	-113.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)S1	REAL300000442823	1	31	-2.0	-106.90	314.83	5.20	-101.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)=C1F	REAL300000442825	1	37	-2.0	-116.78	348.32	6.74	-110.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)C(F)=C1	REAL300000442826	1	34	-2.0	-104.64	328.03	6.11	-98.53
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(C3=NNC=N3)=CC=C2F)=C1	REAL300000442829	0	35	-2.0	-114.34	331.33	4.54	-109.80
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)=C1	REAL300000442835	1	34	-2.0	-106.77	334.32	6.17	-100.60
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)C=C1C(=O)[O-]	REAL300000442837	1	37	-2.0	-117.63	347.88	6.75	-110.88
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)=C1	REAL300000442838	1	37	-2.0	-123.20	347.60	6.74	-116.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)=C1F	REAL300000442843	1	34	-2.0	-122.31	326.20	6.06	-116.25
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)=C1	REAL300000442845	0	33	-2.0	-115.16	319.55	4.11	-111.05
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C2=NNC=N2)=CC=C1F	REAL300000442846	1	38	-2.0	-109.54	350.77	5.85	-103.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)=C(Cl)O1	REAL300000442847	0	31	-2.0	-105.42	322.67	5.02	-100.40
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=NNC=N3)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000442848	1	37	-2.0	-111.44	344.69	6.04	-105.40
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=C1	REAL300000442851	1	34	-2.0	-107.81	322.76	6.35	-101.46
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C2=NN=CN2)=C1	REAL300000442852	0	38	-2.0	-112.01	350.90	6.15	-105.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C2=NNC=N2)=C1	REAL300000442852	1	38	-2.0	-115.40	353.41	5.93	-109.47
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=C1	REAL300000442855	0	34	-2.0	-102.75	335.83	6.92	-95.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=CC=C1Cl	REAL300000442856	1	34	-2.0	-103.82	335.27	6.74	-97.08
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=C1	REAL300000442858	0	34	-2.0	-104.21	328.24	6.41	-97.80
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NNC=N3)=C2)=C1	REAL300000442858	1	34	-2.0	-107.31	330.74	6.19	-101.12
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)C=C1	REAL300000442859	1	40	-2.0	-95.00	366.34	7.93	-87.07
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=C1	REAL300000442860	0	31	-2.0	-102.37	315.94	5.36	-97.01
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NNC=N3)=C2)=C1	REAL300000442860	1	31	-2.0	-104.95	318.45	5.15	-99.80
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)C=C1C(=O)[O-]	REAL300000442863	1	35	-2.0	-106.41	329.41	5.71	-100.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=C1	REAL300000442865	0	34	-2.0	-98.74	331.87	6.04	-92.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NNC=N3)=C2)=C1	REAL300000442865	1	34	-2.0	-101.13	334.37	5.81	-95.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=CS1	REAL300000442867	0	31	-2.0	-103.75	314.41	5.38	-98.37
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)C=C(C(=O)[O-])O1	REAL300000442870	0	34	-2.0	-101.66	325.77	5.49	-96.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NNC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000442870	1	34	-2.0	-104.41	328.27	5.27	-99.14
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=C1	REAL300000442871	0	38	-2.0	-109.26	351.75	5.44	-103.82
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C2=NN=CN2)=C1	REAL300000442872	1	37	-2.0	-98.93	343.47	7.17	-91.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)C=C(C(=O)[O-])S1	REAL300000442873	1	34	-2.0	-104.55	331.36	6.24	-98.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)C(Cl)=C1	REAL300000442874	0	34	-2.0	-93.80	335.81	6.91	-86.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)C=C1F	REAL300000442875	1	34	-2.0	-95.84	327.29	6.39	-89.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)S1	REAL300000442876	0	31	-2.0	-97.59	315.03	5.47	-92.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NNC=N3)=C2)S1	REAL300000442876	1	31	-2.0	-100.02	317.53	5.25	-94.77
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=C1	REAL300000442877	1	34	-2.0	-98.99	329.17	6.42	-92.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=C1F	REAL300000442878	0	37	-2.0	-105.48	348.52	7.06	-98.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NNC=N3)=C2)=C1F	REAL300000442878	1	37	-2.0	-108.64	351.02	6.83	-101.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)C(F)=C1	REAL300000442879	0	34	-2.0	-95.50	328.22	6.42	-89.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NNC=N3)=C2)C(F)=C1	REAL300000442879	1	34	-2.0	-97.85	330.73	6.20	-91.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=CC(F)=C1F	REAL300000442881	1	34	-2.0	-97.50	333.58	6.44	-91.06
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=C1	REAL300000442882	0	35	-2.0	-106.36	332.47	4.06	-102.30
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)C=C1	REAL300000442883	1	37	-2.0	-100.83	344.94	7.13	-93.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=C1	REAL300000442888	0	34	-2.0	-96.39	334.52	6.48	-89.91
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NNC=N3)=C2)=C1	REAL300000442888	1	34	-2.0	-99.22	337.02	6.26	-92.96
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)C=C1C(=O)[O-]	REAL300000442890	0	37	-2.0	-106.41	348.08	7.05	-99.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NNC=N3)=C2)C=C1C(=O)[O-]	REAL300000442890	1	37	-2.0	-109.54	350.58	6.82	-102.72
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=C1	REAL300000442891	0	37	-2.0	-113.51	347.80	7.04	-106.47
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NNC=N3)=C2)=C1	REAL300000442891	1	37	-2.0	-115.64	350.30	6.83	-108.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)C=C1C(=O)[O-]	REAL300000442893	1	38	-2.0	-107.65	350.79	6.56	-101.09
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=C1F	REAL300000442896	0	34	-2.0	-112.77	326.42	6.39	-106.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NNC=N3)=C2)=C1F	REAL300000442896	1	34	-2.0	-114.99	328.93	6.16	-108.83
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)C=C1C(=O)[O-]	REAL300000442897	1	37	-2.0	-100.77	347.70	7.03	-93.74
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=C1	REAL300000442898	0	33	-2.0	-103.82	319.75	4.40	-99.42
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NNC=N3)=C2)=C1	REAL300000442898	1	33	-2.0	-107.17	322.25	4.19	-102.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C2=NN=CN2)=C1	REAL300000442899	0	38	-2.0	-99.91	350.96	6.16	-93.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)=C(Cl)O1	REAL300000442900	0	31	-2.0	-95.94	322.91	5.34	-90.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NNC=N3)=C2)=C(Cl)O1	REAL300000442900	1	31	-2.0	-98.56	325.41	5.12	-93.44
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NN=CN3)=C2)C=C(C(=O)[O-])O1	REAL300000442901	0	37	-2.0	-101.34	344.89	6.34	-95.00
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C3=NNC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000442901	1	37	-2.0	-104.24	347.40	6.12	-98.12
CC(OC1=CC=CC(Cl)=C1)C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000442902	0	39	-2.0	-101.22	374.00	5.60	-95.62
CC(OC1=CC=CC(Cl)=C1)C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000442903	0	39	-2.0	-112.58	374.02	5.59	-106.99
CC(OC1=CC=CC(Cl)=C1)C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000442904	0	38	-2.0	-109.00	369.43	3.74	-105.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3F)N=C2)C=C1	REAL300000442905	1	38	-2.0	-97.66	359.20	5.33	-92.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3F)N=C2)=C1	REAL300000442906	0	38	-2.0	-110.51	359.22	5.31	-105.20
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3F)N=C2)=C1	REAL300000442907	0	35	-2.0	-104.57	352.39	4.35	-100.22
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3F)N=C2)C=C1C(=O)[O-]	REAL300000442908	0	39	-2.0	-108.61	365.86	4.67	-103.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3F)N=C2)=CS1	REAL300000442909	0	35	-2.0	-105.19	350.87	4.35	-100.84
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3F)N=C2)C=C(C(=O)[O-])O1	REAL300000442910	0	38	-2.0	-104.55	362.22	4.47	-100.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3F)N=C2)S1	REAL300000442911	0	35	-2.0	-98.98	351.48	4.44	-94.54
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3F)N=C2)=C1	REAL300000442912	0	37	-2.0	-107.71	355.43	3.45	-104.26
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000442913	0	36	-2.0	-107.45	339.64	5.41	-102.04
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000442914	0	36	-2.0	-97.45	335.08	5.38	-92.07
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000442915	0	36	-2.0	-110.16	335.11	5.38	-104.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC)C=C1OC	REAL300000442916	0	40	-2.0	-115.34	363.25	5.17	-110.17
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000442917	0	40	-2.0	-96.74	366.55	6.67	-90.07
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000442918	0	39	-2.0	-111.29	351.12	5.90	-105.39
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000442919	0	36	-2.0	-105.30	348.17	5.95	-99.35
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000442920	0	36	-2.0	-105.90	347.61	5.77	-100.13
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000442921	0	42	-2.0	-112.35	368.21	6.69	-105.66
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000442922	0	36	-2.0	-107.21	340.58	5.44	-101.77
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000442923	0	42	-2.0	-95.99	378.67	6.96	-89.03
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000442924	0	33	-2.0	-104.34	328.29	4.39	-99.95
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000442925	0	39	-2.0	-110.45	350.54	6.15	-104.30
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000442926	0	40	-2.0	-95.43	366.17	5.65	-89.78
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000442927	0	37	-2.0	-108.42	341.75	4.72	-103.70
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000442928	0	40	-2.0	-111.10	358.89	4.21	-106.89
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000442929	0	36	-2.0	-100.47	344.24	5.06	-95.41
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000442930	0	42	-2.0	-111.79	366.55	6.69	-105.10
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000442931	0	33	-2.0	-105.73	326.76	4.41	-101.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C=C2OC)C=C1C(=O)[O-]	REAL300000442932	0	40	-2.0	-116.00	362.40	5.44	-110.56
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000442933	0	45	-2.0	-112.75	389.00	7.38	-105.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC)C=C1OC	REAL300000442934	0	42	-2.0	-108.35	365.23	7.08	-101.27
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC)C=C1OC	REAL300000442935	0	43	-2.0	-116.13	385.54	5.93	-110.20
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000442936	0	38	-3.0	-186.17	363.51	5.94	-180.23
COC1=CC(SC)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000442936	1	39	-2.0	-108.78	363.55	5.88	-102.90
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000442937	0	43	-2.0	-114.94	379.35	7.26	-107.68
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000442938	0	36	-2.0	-103.58	338.11	4.51	-99.07
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000442939	0	40	-2.0	-111.03	364.07	4.47	-106.56
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000442940	0	43	-2.0	-95.98	386.26	6.36	-89.62
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000442941	0	39	-2.0	-101.05	355.81	6.18	-94.87
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C=C2OC)C=C1C(=O)[O-]	REAL300000442942	0	43	-2.0	-116.58	384.25	6.34	-110.24
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000442943	0	36	-2.0	-106.92	343.73	5.27	-101.65
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000442944	0	36	-2.0	-94.92	348.15	5.94	-88.98
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000442945	0	36	-2.0	-96.86	339.64	5.42	-91.44
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000442946	0	33	-2.0	-99.21	327.37	4.50	-94.71
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000442947	0	36	-2.0	-100.91	341.51	5.44	-95.47
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000442948	0	39	-2.0	-108.73	360.85	6.07	-102.66
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000442949	0	36	-2.0	-96.99	340.56	5.45	-91.54
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000442950	0	36	-2.0	-94.98	347.61	5.78	-89.20
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000442951	0	36	-2.0	-98.93	345.92	5.47	-93.46
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000442952	0	38	-2.0	-94.98	363.29	6.05	-88.93
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000442953	0	37	-2.0	-109.16	344.82	3.07	-106.09
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000442954	0	39	-2.0	-100.79	357.27	6.15	-94.64
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000442955	0	39	-2.0	-106.39	345.14	6.00	-100.39
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000442956	0	39	-2.0	-108.88	359.93	6.03	-102.85
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000442957	0	39	-2.0	-97.44	350.52	6.14	-91.30
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000442958	0	42	-2.0	-113.36	367.98	6.44	-106.92
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000442959	0	38	-2.0	-108.14	361.68	6.46	-101.68
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000442960	0	36	-2.0	-98.88	346.84	5.50	-93.38
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000442961	0	42	-2.0	-110.65	369.58	6.76	-103.89
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000442962	0	39	-2.0	-108.39	356.58	5.98	-102.41
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000442963	0	39	-2.0	-115.40	360.12	6.07	-109.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C=C2OC)C=C1C(=O)[O-]	REAL300000442964	0	42	-2.0	-112.05	369.07	6.55	-105.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C=C2OC)C=C1CC(=O)[O-]	REAL300000442965	0	43	-2.0	-112.76	385.58	5.50	-107.26
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC)C=C2OC)C=C1C(=O)[O-]	REAL300000442966	0	40	-2.0	-109.77	363.13	5.59	-104.18
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000442967	0	39	-2.0	-99.18	355.17	6.01	-93.17
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000442968	0	39	-2.0	-107.64	355.06	6.18	-101.46
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000442969	0	38	-2.0	-117.57	358.84	7.20	-110.37
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000442970	0	36	-2.0	-114.51	338.74	5.39	-109.12
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000442971	0	39	-2.0	-101.72	356.27	5.95	-95.77
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000442972	0	35	-2.0	-107.89	331.31	3.49	-104.40
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000442973	0	40	-2.0	-101.73	363.31	5.17	-96.56
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000442974	0	33	-2.0	-97.54	335.20	4.34	-93.20
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000442975	0	43	-2.0	-103.86	381.23	7.25	-96.61
COC1=CC(SC)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000442976	0	43	-2.0	-107.26	379.19	7.24	-100.02
CCC1=C(S(=O)(=O)[N-]C2=CC=C(SC)C=C2OC)C=C(C(=O)[O-])O1	REAL300000442977	0	39	-2.0	-103.23	357.24	5.35	-97.88
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000442978	1	44	-2.0	-108.80	374.09	4.64	-104.16
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000442980	1	44	-2.0	-111.91	369.58	4.59	-107.32
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000442982	0	44	-2.0	-109.64	375.03	4.67	-104.97
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000442983	0	41	-2.0	-105.99	362.74	3.62	-102.37
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000442984	1	47	-2.0	-113.16	384.98	5.39	-107.77
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000442985	1	45	-2.0	-110.16	376.20	3.95	-106.21
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(N3CCOCC3)=CC=C2C)=C1	REAL300000442986	0	44	-2.0	-101.85	378.69	4.29	-97.56
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000442987	0	41	-2.0	-107.35	361.23	3.64	-103.71
CC1=C(S(=O)(=O)[N-]C2=CC(N3CCOCC3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000442988	0	44	-2.0	-105.78	372.56	3.74	-102.04
CC1=C(S(=O)(=O)[N-]C2=CC(N3CCOCC3)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000442989	1	44	-2.0	-109.32	378.18	4.50	-104.82
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000442990	1	44	-2.0	-98.11	374.09	4.65	-93.46
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000442991	0	41	-2.0	-100.56	361.81	3.73	-96.83
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000442992	1	44	-2.0	-102.24	375.96	4.67	-97.57
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000442993	0	44	-2.0	-98.23	375.02	4.68	-93.55
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000442994	0	45	-2.0	-112.27	379.27	2.32	-109.95
CC1=CC=C(N2CCOCC2)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000442994	1	45	-2.0	-107.11	373.21	3.15	-103.96
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000442995	1	47	-2.0	-102.71	391.72	5.39	-97.32
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000442996	1	47	-2.0	-107.24	379.59	5.25	-101.99
CCN1C=C(S(=O)(=O)[N-]C2=CC(N3CCOCC3)=CC=C2C)C=C1C(=O)[O-]	REAL300000442998	1	48	-2.0	-111.16	397.58	4.82	-106.34
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000443000	0	44	-2.0	-115.35	373.19	4.63	-110.72
CC1=CC=C(N2CCOCC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000443001	0	43	-2.0	-109.78	365.78	2.73	-107.05
CCC1=C(S(=O)(=O)[N-]C2=CC(N3CCOCC3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000443002	0	47	-2.0	-105.54	391.68	4.59	-100.95
CC1=C(Br)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1F	REAL300000443005	0	28	-2.0	-97.68	303.45	5.26	-92.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C(C)=C2F)C=C(C(=O)[O-])O1	REAL300000443008	1	31	-2.0	-97.04	313.27	5.38	-91.66
CC1=C(Br)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1F	REAL300000443009	1	28	-2.0	-92.74	302.52	5.38	-87.36
CC1=C(Br)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1F	REAL300000443010	0	30	-2.0	-101.13	306.48	4.36	-96.77
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443011	1	41	-2.0	-106.09	359.52	6.64	-99.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443013	1	41	-2.0	-108.55	355.01	6.61	-101.94
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC(C)C)=C1	REAL300000443014	0	45	-2.0	-114.34	383.15	6.41	-107.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1OC(C)C	REAL300000443015	1	45	-2.0	-95.51	386.44	7.90	-87.61
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1OC(C)C	REAL300000443017	0	41	-2.0	-104.24	368.06	7.18	-97.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443018	1	41	-2.0	-104.55	367.50	7.00	-97.55
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1OC(C)C	REAL300000443019	1	47	-2.0	-111.51	387.67	7.95	-103.56
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1OC(C)C	REAL300000443020	0	41	-2.0	-105.85	360.49	6.67	-99.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1OC(C)C	REAL300000443021	1	47	-2.0	-94.88	398.56	8.20	-86.68
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1OC(C)C	REAL300000443022	0	38	-2.0	-102.83	348.18	5.62	-97.21
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1OC(C)C	REAL300000443023	1	44	-2.0	-109.53	370.44	7.39	-102.14
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443025	1	42	-2.0	-106.98	361.64	5.96	-101.02
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(OC(C)C)=C2)=C1	REAL300000443027	0	41	-2.0	-98.80	364.13	6.29	-92.51
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443029	0	38	-2.0	-104.15	346.65	5.64	-98.51
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1OC(C)C	REAL300000443031	1	50	-2.0	-111.86	408.92	8.61	-103.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC(C)C)=C1	REAL300000443032	1	47	-2.0	-107.82	385.13	8.33	-99.49
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC(C)C)=C1	REAL300000443033	0	48	-2.0	-114.94	405.43	7.17	-107.77
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443034	0	44	-2.0	-110.74	390.03	7.04	-103.70
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443034	1	43	-3.0	-184.10	383.40	7.17	-176.93
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1OC(C)C	REAL300000443035	1	48	-2.0	-113.75	399.26	8.50	-105.25
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000443036	0	41	-2.0	-102.29	358.00	5.74	-96.55
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C(OC(C)C)=C2)=C1	REAL300000443037	0	45	-2.0	-109.64	383.98	5.71	-103.93
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1OC(C)C	REAL300000443039	1	44	-2.0	-99.75	375.70	7.42	-92.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1OC(C)C	REAL300000443040	1	45	-2.0	-93.57	392.30	6.96	-86.61
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000443042	1	41	-2.0	-105.86	363.59	6.50	-99.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1OC(C)C	REAL300000443043	0	41	-2.0	-93.45	368.06	7.17	-86.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OC(C)C	REAL300000443044	1	41	-2.0	-95.27	359.54	6.65	-88.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1OC(C)C	REAL300000443045	0	38	-2.0	-97.58	347.27	5.74	-91.84
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443046	1	41	-2.0	-99.29	361.42	6.68	-92.61
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1OC(C)C	REAL300000443047	0	44	-2.0	-107.46	380.75	7.31	-100.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1OC(C)C	REAL300000443048	0	41	-2.0	-95.42	360.47	6.68	-88.74
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1OC(C)C	REAL300000443049	1	41	-2.0	-93.38	367.49	7.01	-86.37
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1OC(C)C	REAL300000443050	1	44	-2.0	-101.60	384.45	7.81	-93.79
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443051	1	41	-2.0	-97.31	365.83	6.70	-90.61
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1OC(C)C	REAL300000443052	0	43	-2.0	-93.35	383.18	7.27	-86.08
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1OC(C)C	REAL300000443053	0	42	-2.0	-108.40	364.71	4.31	-104.09
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1OC(C)C	REAL300000443053	1	42	-2.0	-105.73	364.14	5.10	-100.63
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1OC(C)C	REAL300000443054	1	44	-2.0	-99.50	377.16	7.39	-92.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1OC(C)C	REAL300000443055	1	44	-2.0	-104.85	365.58	7.29	-97.56
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443056	1	44	-2.0	-107.30	379.84	7.26	-100.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443059	0	43	-2.0	-106.67	381.64	7.71	-98.96
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1OC(C)C	REAL300000443060	0	41	-2.0	-97.32	366.77	6.74	-90.58
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1OC(C)C	REAL300000443062	0	44	-2.0	-108.31	380.47	7.32	-100.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1OC(C)C	REAL300000443063	0	44	-2.0	-106.06	386.75	7.75	-98.31
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(OC(C)C)=C2)=C1	REAL300000443064	0	44	-2.0	-113.58	380.05	7.30	-106.28
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000443065	1	47	-2.0	-110.74	389.42	7.83	-102.91
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1OC(C)C	REAL300000443067	1	44	-2.0	-97.96	381.34	7.79	-90.17
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443068	1	44	-2.0	-106.11	386.23	7.57	-98.54
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000443069	1	45	-2.0	-108.26	383.01	6.82	-101.44
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443070	1	44	-2.0	-103.07	388.95	7.69	-95.38
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1OC(C)C	REAL300000443073	0	43	-2.0	-116.12	378.74	8.46	-107.66
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1OC(C)C	REAL300000443074	0	41	-2.0	-112.81	358.67	6.64	-106.17
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443075	1	44	-2.0	-101.24	380.37	7.30	-93.94
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443076	1	47	-2.0	-117.21	395.97	8.73	-108.48
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1OC(C)C	REAL300000443077	0	40	-2.0	-105.74	352.00	4.66	-101.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC(C)C)=C1	REAL300000443078	0	45	-2.0	-100.31	383.21	6.40	-93.91
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1OC(C)C	REAL300000443079	0	38	-2.0	-96.06	355.14	5.59	-90.47
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1OC(C)C	REAL300000443080	1	48	-2.0	-102.65	401.12	8.50	-94.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1OC(C)C	REAL300000443081	1	48	-2.0	-106.36	400.43	8.50	-97.86
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000443082	0	44	-2.0	-102.15	377.12	6.59	-95.56
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(OC(F)F)C=C2F)=C1	REAL300000443087	1	32	-2.0	-101.64	322.85	4.79	-96.85
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(OC(F)F)C=C2F)=C1	REAL300000443088	0	29	-2.0	-99.02	310.55	3.74	-95.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=C(OC(F)F)C=C2F)=C1	REAL300000443091	1	32	-2.0	-97.28	322.05	4.50	-92.78
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(F)F)C=C2F)C=C(C(=O)[O-])O1	REAL300000443093	1	32	-2.0	-98.73	320.38	3.86	-94.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(F)F)C=C2F)S1	REAL300000443096	1	29	-2.0	-94.19	309.63	3.86	-90.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(F)F)C=C2F)C(F)=C1	REAL300000443098	1	32	-2.0	-92.24	322.83	4.80	-87.44
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=C(OC(F)F)C=C2F)=C1	REAL300000443099	0	33	-2.0	-104.65	321.51	3.28	-101.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC(F)F)C=C2F)=C1F	REAL300000443105	1	32	-2.0	-110.13	316.57	4.84	-105.29
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C(OC(F)F)C=C2F)=C1	REAL300000443106	0	31	-2.0	-104.37	309.92	2.88	-101.49
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(OC(F)F)C=C2F)C=C(C(=O)[O-])O1	REAL300000443107	1	35	-2.0	-101.39	335.06	4.80	-96.59
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C	REAL300000443108	1	45	-2.0	-89.46	391.64	4.39	-85.07
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1C	REAL300000443110	0	46	-2.0	-107.30	394.77	6.88	-100.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(OC)C(C)=C1	REAL300000443113	0	42	-2.0	-114.71	363.29	5.60	-109.11
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C	REAL300000443116	0	38	-2.0	-104.60	348.22	6.37	-98.23
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000443119	0	38	-2.0	-106.36	340.62	5.86	-100.50
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000443121	0	35	-2.0	-102.96	328.34	4.81	-98.15
COC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000443124	1	39	-2.0	-107.04	341.81	5.15	-101.89
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C	REAL300000443126	0	38	-2.0	-99.01	344.27	5.48	-93.53
COC1=CC(C)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C	REAL300000443128	1	35	-2.0	-104.28	326.80	4.83	-99.45
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(OC)C(C)=C1	REAL300000443134	0	45	-2.0	-114.68	385.58	6.36	-108.32
COC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000443135	0	41	-2.0	-110.73	362.08	6.30	-104.43
COC1=CC(C)=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C	REAL300000443137	0	38	-2.0	-102.80	338.16	4.93	-97.87
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C	REAL300000443139	0	42	-2.0	-109.48	364.14	4.89	-104.59
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C	REAL300000443141	1	38	-2.0	-101.18	352.75	6.38	-94.80
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C	REAL300000443144	1	41	-2.0	-100.40	355.87	6.61	-93.79
COC1=CC(C)=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C	REAL300000443147	1	38	-2.0	-106.18	344.85	5.68	-100.50
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000443148	1	38	-2.0	-93.48	348.20	6.37	-87.11
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000443150	0	35	-2.0	-97.77	327.41	4.93	-92.84
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000443151	1	38	-2.0	-99.45	341.57	5.86	-93.59
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C	REAL300000443152	0	41	-2.0	-107.82	360.89	6.49	-101.33
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000443153	0	42	-2.0	-98.14	375.46	6.43	-91.71
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000443154	0	38	-2.0	-95.41	340.61	5.87	-89.54
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C	REAL300000443157	1	46	-2.0	-92.27	398.90	7.21	-85.06
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C	REAL300000443159	1	40	-2.0	-93.56	363.35	6.47	-87.09
COC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C	REAL300000443160	0	39	-2.0	-112.69	338.91	3.86	-108.83
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C	REAL300000443160	1	39	-2.0	-109.15	344.87	3.50	-105.65
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300000443167	1	40	-2.0	-106.61	361.73	6.89	-99.72
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000443168	0	38	-2.0	-97.78	346.88	5.92	-91.86
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C	REAL300000443170	0	41	-2.0	-108.66	360.47	6.50	-102.16
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C	REAL300000443171	0	41	-2.0	-106.43	366.93	6.94	-99.49
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C	REAL300000443172	0	41	-2.0	-113.04	360.19	6.49	-106.55
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=C(OC)C=C2C)C=C1C(=O)[O-]	REAL300000443177	1	42	-2.0	-108.33	363.18	6.02	-102.31
COC1=CC(C)=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C	REAL300000443180	1	47	-2.0	-105.70	384.60	7.93	-97.77
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1C	REAL300000443181	1	42	-2.0	-110.15	375.48	6.43	-103.72
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C	REAL300000443183	0	43	-2.0	-100.43	378.41	7.99	-92.44
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C	REAL300000443185	0	40	-2.0	-115.15	358.88	7.65	-107.50
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000443186	0	38	-2.0	-112.20	338.79	5.82	-106.38
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000443189	0	37	-2.0	-106.46	332.13	3.86	-102.60
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1C	REAL300000443190	1	42	-2.0	-100.36	363.35	5.59	-94.77
COC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000443191	0	35	-2.0	-96.47	335.26	4.77	-91.70
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=C(OC)C=C2C)C=C(C(=O)[O-])O1	REAL300000443194	0	41	-2.0	-102.71	357.27	5.78	-96.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C4CC4)=N3)=C2)C=C1	REAL300000443195	1	40	-2.0	-99.43	369.53	5.92	-93.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C4CC4)=N3)=C2)=C1	REAL300000443196	1	40	-2.0	-111.96	369.56	5.91	-106.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C4CC4)=N3)=C2)C=C1C(=O)[O-]	REAL300000443197	1	43	-2.0	-113.10	385.58	6.44	-106.66
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C4CC4)=N3)=C2)=C1	REAL300000443198	0	37	-2.0	-106.17	362.74	4.92	-101.25
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC(C3CC3)=N2)=C1	REAL300000443199	1	43	-2.0	-111.85	384.99	6.69	-105.16
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C4CC4)=N3)=C2)C=C1C(=O)[O-]	REAL300000443200	0	41	-2.0	-110.44	376.20	5.25	-105.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C4CC4)=N3)=C2)=CS1	REAL300000443201	0	37	-2.0	-107.70	361.21	4.94	-102.76
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C4CC4)=N3)=C2)C=C(C(=O)[O-])O1	REAL300000443202	0	40	-2.0	-105.12	372.56	5.04	-100.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C4CC4)=N3)=C2)S1	REAL300000443203	0	37	-2.0	-101.15	361.83	5.04	-96.11
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C4CC4)=N3)=C2)C=C1	REAL300000443204	1	43	-2.0	-102.34	391.72	6.69	-95.65
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC(C3CC3)=N2)=C1	REAL300000443205	1	43	-2.0	-108.93	379.63	6.54	-102.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C4CC4)=N3)=C2)=CC=C1C(=O)[O-]	REAL300000443207	1	43	-2.0	-99.56	385.56	6.45	-93.11
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC(C4CC4)=N3)=C2)=C1	REAL300000443208	0	39	-2.0	-108.03	366.54	3.95	-104.08
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000443209	0	37	-2.0	-80.63	354.16	2.97	-77.66
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000443210	1	30	-2.0	-95.64	302.23	4.41	-91.23
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1C	REAL300000443211	0	38	-2.0	-96.95	357.32	5.48	-91.47
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000443212	1	30	-2.0	-86.26	297.68	4.39	-81.87
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000443213	0	30	-2.0	-97.72	297.70	4.37	-93.35
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1C	REAL300000443214	0	34	-2.0	-102.87	325.84	4.18	-98.69
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000443215	0	34	-2.0	-86.27	329.15	5.68	-80.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)C=C1C(=O)[O-]	REAL300000443216	1	33	-2.0	-98.65	313.72	4.91	-93.74
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000443217	0	30	-2.0	-93.72	310.78	4.96	-88.76
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000443218	0	30	-2.0	-93.83	310.20	4.78	-89.05
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000443219	0	30	-2.0	-89.58	323.27	5.34	-84.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)=C1C	REAL300000443220	0	36	-2.0	-100.75	330.10	5.69	-95.06
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000443221	0	30	-2.0	-94.80	303.17	4.44	-90.36
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000443222	0	36	-2.0	-85.31	341.27	5.96	-79.35
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000443223	0	27	-2.0	-92.39	290.89	3.41	-88.98
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1C	REAL300000443224	0	33	-2.0	-99.03	313.14	5.17	-93.86
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000443225	1	34	-2.0	-84.90	328.77	4.66	-80.24
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000443226	0	31	-2.0	-96.23	304.35	3.73	-92.50
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1C	REAL300000443227	1	34	-2.0	-99.84	321.48	3.22	-96.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)=C1	REAL300000443228	0	30	-2.0	-88.62	306.81	4.06	-84.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)C=C1C(=O)[O-]	REAL300000443229	1	36	-2.0	-100.05	329.15	5.70	-94.35
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000443230	0	27	-2.0	-93.81	289.35	3.42	-90.39
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)=CC(C(=O)[O-])=C1OC	REAL300000443231	0	38	-2.0	-98.20	356.03	4.19	-94.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)C=C1C(=O)[O-]	REAL300000443232	1	34	-2.0	-103.60	324.99	4.44	-99.16
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000443233	0	40	-2.0	-102.36	352.94	7.01	-95.35
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000443234	0	39	-2.0	-100.90	351.60	6.39	-94.51
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1C	REAL300000443235	0	36	-2.0	-97.66	327.32	6.09	-91.57
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1C	REAL300000443236	0	37	-2.0	-102.50	348.13	4.95	-97.55
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000443237	0	32	-3.0	-170.65	326.11	4.95	-165.70
CC1=NC(Cl)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000443237	1	33	-2.0	-106.66	326.27	4.95	-101.71
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000443238	0	37	-2.0	-102.53	341.94	6.28	-96.25
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)C=C(C(=O)[O-])O1	REAL300000443239	0	30	-2.0	-92.51	300.71	3.52	-88.99
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000443240	0	36	-2.0	-102.37	339.86	4.16	-98.21
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)=C1	REAL300000443241	0	34	-2.0	-98.38	326.62	3.47	-94.91
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000443242	1	38	-2.0	-85.20	350.61	4.99	-80.21
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000443243	0	30	-2.0	-87.79	325.37	5.23	-82.56
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000443244	0	30	-2.0	-90.91	315.29	4.99	-85.92
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000443245	1	34	-2.0	-83.76	344.79	5.21	-78.55
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)=CC=C1OCC(=O)[O-]	REAL300000443246	1	37	-2.0	-85.29	348.86	5.36	-79.93
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000443247	0	33	-2.0	-90.03	318.41	5.20	-84.83
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)=CC=C1OCCCC(=O)[O-]	REAL300000443248	1	43	-2.0	-85.66	391.31	6.29	-79.37
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000443249	0	34	-2.0	-84.82	334.99	4.73	-80.09
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)C=C1C(=O)[O-]	REAL300000443250	1	37	-2.0	-104.16	346.83	5.36	-98.80
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)C=C(C(=O)[O-])S1	REAL300000443251	0	30	-2.0	-95.60	307.39	4.27	-91.33
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000443252	0	30	-2.0	-87.71	325.93	5.41	-82.30
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000443253	0	30	-2.0	-83.99	310.76	4.95	-79.04
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000443254	0	30	-2.0	-86.06	302.24	4.41	-81.65
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000443255	0	27	-2.0	-87.54	289.96	3.50	-84.04
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000443256	0	30	-2.0	-89.03	304.10	4.45	-84.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)=C1F	REAL300000443257	0	33	-2.0	-96.11	323.46	5.09	-91.02
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000443258	0	34	-2.0	-88.64	338.00	5.01	-83.63
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000443259	0	30	-2.0	-85.37	303.15	4.45	-80.92
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000443260	0	30	-2.0	-83.94	310.21	4.78	-79.16
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000443261	0	33	-2.0	-91.60	327.15	5.59	-86.01
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000443262	0	38	-2.0	-83.43	361.43	5.79	-77.64
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000443263	0	30	-2.0	-87.70	308.52	4.48	-83.22
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000443264	0	32	-2.0	-83.62	325.89	5.05	-78.57
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000443265	0	31	-2.0	-98.02	307.42	2.09	-95.93
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000443266	0	33	-2.0	-89.43	319.87	5.16	-84.27
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000443267	0	30	-2.0	-88.96	318.40	4.91	-84.05
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000443268	0	33	-2.0	-93.85	307.74	5.01	-88.84
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)=CC(C(=O)[O-])=C1F	REAL300000443269	1	33	-2.0	-96.82	322.55	5.02	-91.80
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1C	REAL300000443270	1	33	-2.0	-86.69	313.12	5.15	-81.54
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)=CC(C(=O)[O-])=C1C	REAL300000443271	1	36	-2.0	-101.66	335.20	5.57	-96.09
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000443272	0	32	-2.0	-97.13	324.26	5.47	-91.66
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000443273	0	30	-2.0	-86.89	309.44	4.50	-82.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)C(C)=C1C(=O)[O-]	REAL300000443274	1	36	-2.0	-98.29	331.24	5.80	-92.49
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)C=C1C(=O)[O-]	REAL300000443275	0	33	-2.0	-96.95	323.02	5.08	-91.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)=C1Cl	REAL300000443276	0	33	-2.0	-95.23	329.46	5.53	-89.70
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)=C1	REAL300000443277	0	33	-2.0	-101.90	322.74	5.06	-96.84
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)C=C1C(=O)[O-]	REAL300000443278	1	36	-2.0	-99.23	332.02	5.56	-93.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)C=C1CC(=O)[O-]	REAL300000443279	1	37	-2.0	-99.99	348.18	4.51	-95.48
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000443280	0	33	-2.0	-87.54	323.96	5.56	-81.98
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000443281	0	33	-2.0	-83.09	327.82	5.19	-77.90
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000443282	0	33	-2.0	-95.41	328.94	5.33	-90.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)C=C1C(=O)[O-]	REAL300000443283	0	34	-2.0	-97.36	325.72	4.60	-92.76
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)C(C)=C1CC(=O)[O-]	REAL300000443284	1	42	-2.0	-97.79	362.85	7.25	-90.54
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000443285	0	30	-2.0	-85.95	323.30	4.94	-81.01
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000443286	0	33	-2.0	-92.34	331.47	5.44	-86.90
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000443287	0	39	-2.0	-95.44	347.58	6.48	-88.96
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)C=C1C(=O)[O-]	REAL300000443288	0	34	-2.0	-99.23	338.02	5.02	-94.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)=CC=C1C(=O)[O-]	REAL300000443289	1	33	-2.0	-86.25	313.71	4.92	-81.33
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000443290	0	35	-2.0	-90.24	340.96	6.57	-83.67
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1C	REAL300000443291	1	33	-2.0	-97.14	317.23	5.22	-91.92
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000443292	0	32	-2.0	-104.43	321.44	6.23	-98.20
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000443293	0	30	-2.0	-101.31	301.34	4.40	-96.91
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000443294	0	33	-2.0	-90.64	322.66	5.05	-85.59
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000443295	0	36	-2.0	-105.48	338.74	6.50	-98.98
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000443296	0	29	-2.0	-94.90	294.69	2.45	-92.45
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)N=C1C	REAL300000443297	0	34	-2.0	-89.96	325.91	4.18	-85.78
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000443298	0	27	-2.0	-86.34	297.81	3.35	-82.99
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000443299	0	37	-2.0	-92.56	343.83	6.26	-86.30
CC1=NC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000443300	0	37	-2.0	-94.72	341.78	6.25	-88.47
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)N=C2C)C=C(C(=O)[O-])O1	REAL300000443301	0	33	-2.0	-92.39	319.82	4.38	-88.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC4=CC=CC=C4S3)=C2)C=C1	REAL300000443302	0	38	-2.0	-103.49	368.08	7.50	-95.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C3=CC4=CC=CC=C4S3)=C2)=C1	REAL300000443303	0	38	-2.0	-116.46	368.10	7.50	-108.96
CCCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=CC(C)=C1	REAL300000443304	0	47	-2.0	-101.09	411.20	8.71	-92.38
CCCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC(C)=C1	REAL300000443305	0	47	-2.0	-113.58	411.19	8.71	-104.87
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=CC=C2Cl)=C1	REAL300000443308	1	35	-2.0	-108.16	349.00	8.02	-100.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=CC=C2Cl)S1	REAL300000443312	1	35	-2.0	-102.83	348.08	8.13	-94.70
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=CC=C2Cl)=C1	REAL300000443313	0	37	-2.0	-111.39	352.79	7.05	-104.34
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000443314	0	37	-2.0	-113.88	352.80	4.31	-109.57
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000443315	0	37	-2.0	-102.85	348.25	4.29	-98.56
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000443316	0	37	-2.0	-114.15	348.27	4.28	-109.87
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1C	REAL300000443317	0	41	-2.0	-122.59	375.53	4.07	-118.52
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C	REAL300000443318	0	41	-2.0	-102.55	379.72	5.58	-96.97
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000443319	0	40	-2.0	-115.20	364.30	4.82	-110.38
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C	REAL300000443320	0	37	-2.0	-112.54	360.45	4.84	-107.70
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000443321	0	37	-2.0	-112.24	360.78	4.67	-107.57
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C	REAL300000443322	0	43	-2.0	-117.41	381.38	5.62	-111.79
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000443323	0	37	-2.0	-113.90	352.86	4.34	-109.56
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300000443324	0	43	-2.0	-102.04	390.97	5.85	-96.19
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000443325	0	34	-2.0	-110.71	340.57	3.30	-107.41
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000443326	0	40	-2.0	-116.02	362.84	5.05	-110.97
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C	REAL300000443327	0	41	-2.0	-101.00	379.34	4.57	-96.43
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000443328	0	38	-2.0	-113.12	354.04	3.63	-109.49
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1C	REAL300000443329	0	41	-2.0	-118.75	371.59	3.09	-115.66
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000443330	0	37	-2.0	-105.95	357.40	3.97	-101.98
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1C	REAL300000443331	0	43	-2.0	-119.65	378.83	5.59	-114.06
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000443332	0	34	-2.0	-111.84	339.92	3.32	-108.52
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1C	REAL300000443333	0	41	-2.0	-122.38	375.55	4.37	-118.01
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C	REAL300000443334	0	46	-2.0	-120.46	401.28	6.28	-114.18
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(CC(=O)OC)N=C1	REAL300000443335	0	43	-2.0	-116.69	376.65	5.96	-110.73
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1C	REAL300000443336	0	44	-2.0	-122.35	397.81	4.84	-117.51
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000443337	0	39	-3.0	-190.03	376.67	4.86	-185.17
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C	REAL300000443338	0	44	-2.0	-119.80	392.52	6.19	-113.61
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000443339	0	37	-2.0	-110.71	350.39	3.42	-107.29
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C	REAL300000443340	0	41	-2.0	-116.90	377.24	3.38	-113.52
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1C	REAL300000443341	0	44	-2.0	-101.83	398.55	5.25	-96.58
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C	REAL300000443342	0	40	-2.0	-106.34	368.98	5.11	-101.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(CC(=O)OC)N=C2)C=C1C(=O)[O-]	REAL300000443343	0	44	-2.0	-120.56	397.40	5.28	-115.28
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000443344	0	37	-2.0	-114.52	356.01	4.16	-110.36
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000443345	0	37	-2.0	-100.33	361.32	4.86	-95.47
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000443346	0	37	-2.0	-102.50	352.78	4.34	-98.16
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000443347	0	34	-2.0	-104.77	340.53	3.41	-101.36
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000443348	0	37	-2.0	-107.37	353.81	4.33	-103.04
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C	REAL300000443349	0	40	-2.0	-113.64	374.02	5.00	-108.64
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000443350	0	37	-2.0	-102.34	353.73	4.37	-97.97
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000443351	0	37	-2.0	-100.43	360.76	4.69	-95.74
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000443352	0	37	-2.0	-103.44	359.09	4.38	-99.06
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C	REAL300000443353	0	39	-2.0	-99.57	376.46	4.95	-94.62
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000443354	0	38	-2.0	-117.28	357.10	1.99	-115.29
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000443355	0	40	-2.0	-106.94	369.57	5.05	-101.89
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000443356	0	40	-2.0	-110.31	357.42	4.89	-105.42
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000443357	0	40	-2.0	-115.28	373.10	4.94	-110.34
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1C	REAL300000443358	0	40	-2.0	-103.69	362.80	5.04	-98.65
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000443359	0	43	-2.0	-119.84	380.27	5.33	-114.51
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300000443360	0	39	-2.0	-114.66	374.83	5.37	-109.29
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C	REAL300000443361	0	37	-2.0	-104.00	360.01	4.42	-99.58
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C	REAL300000443362	0	43	-2.0	-114.40	381.86	5.65	-108.75
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C	REAL300000443363	0	40	-2.0	-114.97	372.71	4.97	-110.00
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C	REAL300000443364	0	40	-2.0	-120.61	373.28	4.98	-115.63
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(CC(=O)OC)N=C2)C=C1C(=O)[O-]	REAL300000443365	0	43	-2.0	-118.32	382.51	5.47	-112.85
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1C	REAL300000443366	0	44	-2.0	-115.79	398.73	4.41	-111.38
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(CC(=O)OC)N=C2)C=C1C(=O)[O-]	REAL300000443367	0	41	-2.0	-114.03	376.29	4.51	-109.52
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000443368	0	40	-2.0	-102.87	364.27	4.84	-98.03
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1C	REAL300000443369	0	40	-2.0	-115.68	367.33	5.09	-110.59
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C	REAL300000443370	0	39	-2.0	-120.30	371.11	6.12	-114.18
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000443371	0	37	-2.0	-117.68	351.02	4.29	-113.39
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000443372	0	40	-2.0	-105.95	369.43	4.85	-101.10
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000443373	0	36	-2.0	-113.57	344.48	2.41	-111.16
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1C	REAL300000443374	0	41	-2.0	-106.88	376.47	4.10	-102.78
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C	REAL300000443375	0	34	-2.0	-104.05	347.48	3.25	-100.80
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C	REAL300000443376	0	44	-2.0	-109.29	393.52	6.15	-103.14
COC(=O)CN1N=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C	REAL300000443377	0	44	-2.0	-111.82	392.36	6.15	-105.67
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(CC(=O)OC)N=C2)C=C(C(=O)[O-])O1	REAL300000443378	0	40	-2.0	-110.72	369.51	4.27	-106.45
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC(Cl)=C2O1	REAL300000443407	0	37	-2.0	-103.94	341.32	5.66	-98.28
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000443426	1	39	-2.0	-110.48	360.49	3.24	-107.24
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C2N1	REAL300000443427	1	39	-2.0	-100.64	355.94	3.23	-97.41
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000443428	1	39	-2.0	-112.89	355.96	3.22	-109.67
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C2N1	REAL300000443429	1	43	-2.0	-99.93	387.40	4.51	-95.42
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000443430	1	42	-2.0	-114.03	371.97	3.76	-110.27
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2N1	REAL300000443431	0	39	-2.0	-109.58	361.43	3.28	-106.30
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2N1	REAL300000443432	0	36	-2.0	-107.26	349.14	2.25	-105.01
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C2N1	REAL300000443433	1	42	-2.0	-112.89	371.39	4.00	-108.89
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000443434	0	40	-2.0	-111.53	362.60	2.57	-108.96
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC=C2N1	REAL300000443435	0	39	-2.0	-103.57	365.06	2.90	-100.67
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2N1	REAL300000443436	0	36	-2.0	-108.75	347.61	2.26	-106.49
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000443437	0	39	-2.0	-106.46	358.97	2.36	-104.10
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C2N1	REAL300000443438	0	39	-2.0	-109.45	365.65	3.11	-106.34
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2N1	REAL300000443439	1	39	-2.0	-100.17	360.48	3.26	-96.91
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2N1	REAL300000443440	0	36	-2.0	-102.32	348.22	2.34	-99.98
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000443441	1	39	-2.0	-103.86	362.36	3.28	-100.58
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2N1	REAL300000443442	0	39	-2.0	-100.10	361.42	3.30	-96.80
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2N1	REAL300000443443	0	40	-2.0	-111.63	365.67	0.92	-110.71
CNC(=O)C1=CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2N1	REAL300000443443	1	40	-2.0	-108.95	354.69	1.82	-107.13
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2N1	REAL300000443444	1	42	-2.0	-103.31	378.12	4.00	-99.31
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C2N1	REAL300000443445	1	42	-2.0	-109.79	366.02	3.86	-105.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)NC)=CC3=C2)C=C1C(=O)[O-]	REAL300000443447	0	43	-2.0	-112.82	383.98	3.43	-109.39
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C2N1	REAL300000443448	1	42	-2.0	-100.79	371.96	3.77	-97.02
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2N1	REAL300000443449	0	39	-2.0	-117.87	359.62	3.25	-114.62
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2N1	REAL300000443450	0	38	-2.0	-110.60	352.18	1.36	-109.24
CNC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000443451	0	36	-2.0	-100.68	356.11	2.19	-98.49
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)NC)=CC3=C2)C=C(C(=O)[O-])O1	REAL300000443452	0	42	-2.0	-106.17	378.08	3.21	-102.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)=CC=C1F	REAL300000443453	1	44	-2.0	-111.03	360.91	6.48	-104.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)C=C1	REAL300000443454	1	44	-2.0	-100.61	356.36	6.45	-94.16
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)=C1	REAL300000443455	1	44	-2.0	-114.14	356.38	6.45	-107.69
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)C=C1	REAL300000443456	1	48	-2.0	-99.12	387.83	7.74	-91.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)C=C1C(=O)[O-]	REAL300000443457	1	47	-2.0	-115.49	372.29	6.99	-108.50
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)=C1	REAL300000443458	0	44	-2.0	-109.19	360.22	6.53	-102.66
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)=C1	REAL300000443459	0	41	-2.0	-105.56	347.85	5.50	-100.06
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1CC2CCC1C2	REAL300000443460	1	47	-2.0	-112.32	367.95	7.18	-105.14
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)C=C1C(=O)[O-]	REAL300000443461	0	45	-2.0	-112.30	363.03	5.80	-106.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)=C1	REAL300000443462	0	44	-2.0	-100.94	363.71	6.18	-94.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)=CS1	REAL300000443463	0	41	-2.0	-109.50	348.03	5.49	-104.01
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)C=C(C(=O)[O-])O1	REAL300000443464	0	44	-2.0	-104.94	357.63	5.61	-99.33
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)C=C(C(=O)[O-])S1	REAL300000443465	0	44	-2.0	-108.55	362.53	6.34	-102.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)C=C1F	REAL300000443466	1	44	-2.0	-99.79	360.89	6.49	-93.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)S1	REAL300000443467	0	41	-2.0	-99.61	346.87	5.62	-93.99
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)=C1	REAL300000443468	1	44	-2.0	-104.64	362.80	6.52	-98.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)C(F)=C1	REAL300000443469	0	44	-2.0	-97.29	360.19	6.54	-90.75
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)=C1	REAL300000443470	0	45	-2.0	-110.59	363.99	4.19	-106.40
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2N2CC3CCC2C3)=C1	REAL300000443470	1	45	-2.0	-111.95	356.21	4.95	-107.00
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)C=C1	REAL300000443471	1	47	-2.0	-104.14	378.56	7.22	-96.92
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1CC2CCC1C2	REAL300000443472	1	47	-2.0	-105.39	362.56	7.04	-98.35
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1CC2CCC1C2	REAL300000443473	1	47	-2.0	-97.33	366.97	7.13	-90.20
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)C=C1C(=O)[O-]	REAL300000443474	0	48	-2.0	-113.71	384.40	6.67	-107.04
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)=CC=C1C(=O)[O-]	REAL300000443475	1	47	-2.0	-100.90	372.27	7.00	-93.90
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)=C1F	REAL300000443476	0	44	-2.0	-114.14	358.20	6.51	-107.63
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)=C1	REAL300000443477	0	43	-2.0	-109.09	350.87	4.59	-104.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)=C(Cl)O1	REAL300000443478	0	41	-2.0	-98.78	354.83	5.45	-93.33
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2CC3CCC2C3)C=C(C(=O)[O-])O1	REAL300000443479	0	47	-2.0	-104.22	371.23	6.13	-98.09
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000443480	0	40	-2.0	-110.84	355.13	4.80	-106.04
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C21	REAL300000443481	0	40	-2.0	-101.29	350.54	4.77	-96.52
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000443482	0	40	-2.0	-114.89	350.60	4.77	-110.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2OC	REAL300000443483	0	44	-2.0	-120.24	378.75	4.56	-115.68
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=CC=C21	REAL300000443484	0	44	-2.0	-100.54	382.10	6.06	-94.48
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=CC=C21	REAL300000443485	0	43	-2.0	-115.09	366.83	5.30	-109.79
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=CC=C21	REAL300000443486	0	40	-2.0	-109.09	363.68	5.34	-103.75
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C21	REAL300000443487	0	40	-2.0	-109.44	363.10	5.16	-104.28
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=CC=C21	REAL300000443488	0	46	-2.0	-116.44	383.27	6.12	-110.32
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=CC=C21	REAL300000443489	0	40	-2.0	-111.19	356.07	4.83	-106.36
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=CC=C21	REAL300000443490	0	46	-2.0	-99.90	394.21	6.36	-93.54
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C21	REAL300000443491	0	37	-2.0	-108.80	343.78	3.78	-105.02
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=CC=C21	REAL300000443492	0	43	-2.0	-115.35	366.04	5.55	-109.80
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=CC=C21	REAL300000443493	0	44	-2.0	-99.19	381.63	5.05	-94.14
COC1CCOC2=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=CC=C21	REAL300000443494	0	41	-2.0	-112.99	357.23	4.11	-108.88
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C=CC=C21	REAL300000443495	0	44	-2.0	-115.47	374.81	3.58	-111.89
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=CC=C21	REAL300000443496	0	40	-2.0	-104.56	359.74	4.45	-100.11
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=CC=C21	REAL300000443497	0	46	-2.0	-116.75	382.26	6.09	-110.66
COC1CCOC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C21	REAL300000443498	0	37	-2.0	-109.37	342.24	3.80	-105.57
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3OC)C=C1C(=O)[O-]	REAL300000443499	0	44	-2.0	-119.56	377.88	4.83	-114.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2OC	REAL300000443500	0	46	-2.0	-113.08	380.75	6.49	-106.59
COC1CCOC2=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=CC=C21	REAL300000443501	0	40	-2.0	-107.90	353.60	3.91	-103.99
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=CC=C21	REAL300000443502	0	44	-2.0	-116.14	379.52	3.86	-112.28
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=CC=C21	REAL300000443503	0	43	-2.0	-104.63	371.31	5.59	-99.04
COC1CCOC2=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=CC=C21	REAL300000443504	0	40	-2.0	-110.37	360.29	4.65	-105.72
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=CC=C21	REAL300000443505	0	40	-2.0	-98.48	363.66	5.33	-93.15
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C21	REAL300000443506	0	40	-2.0	-100.55	355.11	4.81	-95.74
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C21	REAL300000443507	0	37	-2.0	-102.91	342.85	3.90	-99.01
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000443508	0	40	-2.0	-105.34	357.00	4.83	-100.51
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=CC=C21	REAL300000443509	0	43	-2.0	-113.31	376.37	5.47	-107.84
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=CC=C21	REAL300000443510	0	40	-2.0	-100.73	356.07	4.84	-95.89
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C21	REAL300000443511	0	40	-2.0	-98.70	363.08	5.17	-93.53
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000443512	0	40	-2.0	-103.22	361.43	4.86	-98.36
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=CC=C21	REAL300000443513	0	41	-2.0	-113.97	360.33	2.47	-111.50
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=CC=C21	REAL300000443514	0	43	-2.0	-104.92	372.73	5.55	-99.37
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=CC=C21	REAL300000443515	0	43	-2.0	-109.93	360.85	5.40	-104.53
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000443516	0	43	-2.0	-112.41	375.44	5.42	-106.99
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=CC=C21	REAL300000443517	0	43	-2.0	-101.36	366.02	5.54	-95.82
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=CC=C21	REAL300000443518	0	46	-2.0	-118.32	383.69	5.84	-112.48
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=CC=C21	REAL300000443519	0	40	-2.0	-103.19	362.34	4.89	-98.30
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=CC=C21	REAL300000443520	0	46	-2.0	-114.17	385.30	6.16	-108.01
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=CC=C21	REAL300000443521	0	43	-2.0	-113.09	372.29	5.37	-107.72
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=CC=C21	REAL300000443522	0	43	-2.0	-120.19	375.63	5.46	-114.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3OC)C=C1C(=O)[O-]	REAL300000443523	0	46	-2.0	-115.88	384.77	5.96	-109.92
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3OC)C=C1C(=O)[O-]	REAL300000443524	0	44	-2.0	-114.33	378.62	4.99	-109.34
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=CC=C21	REAL300000443525	0	43	-2.0	-101.60	366.82	5.31	-96.29
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=CC=C21	REAL300000443526	0	43	-2.0	-112.64	369.76	5.58	-107.06
COC1CCOC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=CC=C21	REAL300000443527	0	40	-2.0	-118.00	354.23	4.79	-113.21
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=CC=C21	REAL300000443528	0	43	-2.0	-106.36	371.98	5.34	-101.02
COC1CCOC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C21	REAL300000443529	0	39	-2.0	-111.10	347.59	2.82	-108.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCC2OC	REAL300000443530	0	44	-2.0	-105.69	378.81	4.56	-101.13
COC1CCOC2=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=CC=C21	REAL300000443531	0	37	-2.0	-101.59	350.69	3.74	-97.85
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCC3OC)C=C(C(=O)[O-])O1	REAL300000443532	0	43	-2.0	-107.58	372.73	4.75	-102.83
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1OC1=CC=NC=C1	REAL300000443536	0	38	-2.0	-99.75	363.55	5.85	-93.90
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1OC1=CC=NC=C1	REAL300000443538	1	42	-2.0	-103.78	375.67	6.10	-97.68
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1OC1=CC=NC=C1	REAL300000443539	1	38	-2.0	-101.22	360.66	5.79	-95.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000443540	0	41	-2.0	-99.57	373.40	5.97	-93.60
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1OC1=CC=NC=C1	REAL300000443541	0	38	-2.0	-94.78	362.63	5.95	-88.83
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1OC1=CC=NC=C1	REAL300000443546	0	40	-2.0	-102.93	366.59	4.96	-97.97
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000443547	0	41	-2.0	-99.10	381.59	1.38	-97.72
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000443548	0	34	-2.0	-115.91	329.66	2.82	-113.09
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C)=N1	REAL300000443549	0	42	-2.0	-115.78	384.75	3.89	-111.89
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000443550	0	34	-2.0	-105.91	325.11	2.80	-103.11
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000443550	1	34	-2.0	-101.74	325.30	1.70	-100.04
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000443551	0	34	-2.0	-118.52	325.13	2.79	-115.73
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000443551	1	34	-2.0	-109.73	325.33	1.69	-108.04
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C)=N1	REAL300000443552	0	38	-2.0	-122.70	353.27	2.60	-120.10
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000443553	0	38	-2.0	-105.16	356.58	4.09	-101.07
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000443553	1	38	-2.0	-100.54	356.78	2.99	-97.55
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000443554	0	37	-2.0	-121.27	345.20	3.44	-117.83
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000443554	1	37	-2.0	-116.30	341.35	2.22	-114.08
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000443555	0	34	-2.0	-112.92	338.20	3.35	-109.57
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000443556	0	34	-2.0	-114.32	337.64	3.18	-111.14
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000443557	0	40	-2.0	-119.44	357.53	4.09	-115.35
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000443557	1	40	-2.0	-107.32	347.22	4.02	-103.30
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000443558	0	34	-2.0	-114.64	330.61	2.86	-111.78
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000443559	0	40	-2.0	-104.19	368.70	4.38	-99.81
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000443559	1	40	-2.0	-99.02	368.89	3.28	-95.74
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000443560	0	31	-2.0	-112.63	318.31	1.82	-110.81
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000443561	0	37	-2.0	-117.62	340.57	3.57	-114.05
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000443561	1	37	-2.0	-105.48	330.33	3.48	-102.00
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000443562	0	38	-2.0	-103.94	356.20	3.08	-100.86
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000443562	1	38	-2.0	-99.19	356.39	1.97	-97.22
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000443563	0	35	-2.0	-117.15	331.77	2.15	-115.00
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000443563	1	35	-2.0	-109.07	331.97	1.05	-108.02
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000443564	0	38	-2.0	-106.52	339.09	1.51	-105.01
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000443564	1	38	-2.0	-118.18	349.34	1.60	-116.58
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=NC(C)=CC=C2)=C1	REAL300000443565	0	34	-2.0	-108.71	334.25	2.48	-106.23
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000443566	0	40	-2.0	-113.57	356.74	2.98	-110.59
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000443566	1	40	-2.0	-119.17	356.20	4.06	-115.11
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000443567	0	31	-2.0	-114.18	316.78	1.83	-112.35
COC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C)=N2)=CC(C(=O)[O-])=C1OC	REAL300000443568	0	42	-2.0	-119.09	383.46	2.60	-116.49
COC1=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(C)=N2)=CC(C(=O)[O-])=C1OC	REAL300000443568	1	42	-2.0	-116.37	383.65	1.50	-114.87
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C)=N2)C=C1C(=O)[O-]	REAL300000443569	0	38	-2.0	-124.45	352.41	2.86	-121.59
COC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(C)=N2)C=C1C(=O)[O-]	REAL300000443569	1	38	-2.0	-121.66	352.60	1.76	-119.90
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000443570	0	44	-2.0	-121.59	380.37	5.32	-116.27
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000443570	1	44	-2.0	-115.54	380.93	4.26	-111.28
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000443571	0	43	-2.0	-119.79	379.03	4.76	-115.03
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000443571	1	43	-2.0	-114.92	379.35	3.65	-111.27
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C)=N1	REAL300000443572	0	40	-2.0	-115.27	355.27	4.31	-110.96
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CC=CC(C)=N1	REAL300000443572	1	40	-2.0	-112.94	356.96	3.30	-109.64
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C)=N1	REAL300000443573	0	41	-2.0	-124.95	375.56	3.36	-121.59
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000443574	0	36	-3.0	-195.28	353.54	3.36	-191.92
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000443574	1	36	-3.0	-188.49	353.73	2.25	-186.24
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000443575	0	41	-2.0	-121.98	369.38	4.67	-117.31
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000443575	1	41	-2.0	-115.92	368.23	3.61	-112.31
CC1=C(S(=O)(=O)[N-]NC(=O)C2=NC(C)=CC=C2)C=C(C(=O)[O-])O1	REAL300000443576	0	34	-2.0	-111.00	328.14	1.94	-109.06
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000443577	0	40	-2.0	-123.42	367.30	2.56	-120.86
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000443577	1	40	-2.0	-115.61	367.49	1.46	-114.15
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C)=N2)=C1	REAL300000443578	0	38	-2.0	-120.04	354.11	1.88	-118.16
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000443579	0	42	-2.0	-105.32	378.76	3.40	-101.92
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000443579	1	42	-2.0	-99.98	378.24	2.29	-97.69
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000443580	0	34	-2.0	-109.51	342.72	3.37	-106.14
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300000443581	0	38	-2.0	-102.35	372.23	3.62	-98.73
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=N1	REAL300000443582	0	41	-2.0	-104.44	376.27	3.78	-100.66
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=N1	REAL300000443582	1	41	-2.0	-99.59	376.47	2.68	-96.91
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000443583	0	37	-2.0	-108.37	345.84	3.59	-104.78
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000443584	0	38	-2.0	-103.31	362.42	3.14	-100.17
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C)=N2)C=C1C(=O)[O-]	REAL300000443585	0	41	-2.0	-125.13	374.27	3.77	-121.36
CCOC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(C)=N2)C=C1C(=O)[O-]	REAL300000443585	1	41	-2.0	-116.34	374.46	2.67	-113.67
CC1=C(S(=O)(=O)[N-]NC(=O)C2=NC(C)=CC=C2)C=C(C(=O)[O-])S1	REAL300000443586	0	34	-2.0	-114.11	333.73	2.69	-111.42
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000443587	0	34	-2.0	-103.49	338.18	3.34	-100.15
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000443588	0	34	-2.0	-105.31	329.65	2.83	-102.48
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000443589	0	31	-2.0	-107.47	317.40	1.92	-105.55
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000443590	0	34	-2.0	-109.31	331.54	2.86	-106.45
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000443591	0	37	-2.0	-116.09	350.89	3.50	-112.59
COC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C)=N2)=C(Cl)C=C1C(=O)[O-]	REAL300000443592	0	38	-2.0	-108.21	365.44	3.41	-104.80
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000443593	0	34	-2.0	-105.54	330.62	2.86	-102.68
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000443594	0	34	-2.0	-103.44	337.62	3.19	-100.25
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300000443595	0	37	-2.0	-109.97	354.57	3.98	-105.99
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000443596	0	42	-2.0	-101.71	388.86	4.20	-97.51
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000443597	0	34	-2.0	-107.30	335.95	2.89	-104.41
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000443598	0	36	-2.0	-103.30	353.32	3.46	-99.84
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000443599	0	35	-2.0	-115.79	334.85	0.51	-115.28
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000443599	1	34	-3.0	-217.83	331.28	1.40	-216.43
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000443600	0	37	-2.0	-108.56	347.30	3.58	-104.98
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000443600	1	37	-2.0	-102.25	347.49	2.47	-99.78
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000443601	0	34	-2.0	-108.79	345.84	3.32	-105.47
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000443602	0	37	-2.0	-116.02	335.20	3.41	-112.61
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000443602	1	37	-2.0	-111.71	330.01	2.91	-108.80
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000443603	0	37	-2.0	-117.31	349.96	3.44	-113.87
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000443604	0	37	-2.0	-105.69	340.55	3.56	-102.13
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000443604	1	37	-2.0	-99.61	330.30	3.47	-96.14
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000443605	0	40	-2.0	-123.23	361.93	3.96	-119.27
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000443605	1	40	-2.0	-119.41	362.13	2.86	-116.55
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000443606	0	36	-2.0	-116.56	351.69	3.89	-112.67
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000443607	0	34	-2.0	-106.53	336.89	2.92	-103.61
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000443608	0	40	-2.0	-116.74	349.03	4.09	-112.65
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000443608	1	40	-2.0	-120.31	359.61	4.17	-116.14
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000443609	0	37	-2.0	-115.81	346.60	3.39	-112.42
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=N1	REAL300000443610	0	37	-2.0	-114.67	356.89	3.92	-110.75
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C)=N2)=C1	REAL300000443611	0	37	-2.0	-125.02	350.14	3.48	-121.54
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C)=N2)C=C1C(=O)[O-]	REAL300000443612	0	40	-2.0	-120.48	359.07	3.98	-116.50
CCC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(C)=N2)C=C1C(=O)[O-]	REAL300000443612	1	40	-2.0	-116.86	359.57	2.88	-113.98
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C)=N2)C=C1CC(=O)[O-]	REAL300000443613	0	41	-2.0	-119.00	375.60	2.92	-116.08
COC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(C)=N2)C=C1CC(=O)[O-]	REAL300000443613	1	41	-2.0	-113.24	375.79	1.82	-111.42
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=N1	REAL300000443614	0	37	-2.0	-108.82	351.92	3.92	-104.90
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000443615	0	37	-2.0	-116.16	356.35	3.75	-112.41
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C)=N2)C=C1C(=O)[O-]	REAL300000443616	0	38	-2.0	-118.53	353.16	3.01	-115.52
CCN1C=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(C)=N2)C=C1C(=O)[O-]	REAL300000443616	1	38	-2.0	-110.32	353.36	1.91	-108.41
CC1=CC=CC(C(=O)[N-][N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=N1	REAL300000443617	0	45	-3.0	-238.82	387.22	4.78	-234.04
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000443618	0	37	-2.0	-113.15	358.87	3.86	-109.29
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=N1	REAL300000443619	0	43	-2.0	-114.07	374.85	4.70	-109.37
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C)=N2)C=C1C(=O)[O-]	REAL300000443620	0	38	-2.0	-118.41	365.45	3.41	-115.00
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000443621	0	37	-2.0	-106.07	341.13	3.34	-102.73
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000443621	1	37	-2.0	-101.76	341.33	2.23	-99.53
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000443622	0	39	-2.0	-109.67	368.40	4.85	-104.82
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000443623	0	37	-2.0	-114.80	345.09	3.60	-111.20
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000443624	0	36	-2.0	-127.35	348.88	4.65	-122.70
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000443625	0	34	-2.0	-124.20	328.75	2.82	-121.38
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000443626	0	37	-2.0	-111.26	350.07	3.47	-107.79
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000443627	0	40	-2.0	-126.97	366.17	4.92	-122.05
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000443627	1	40	-2.0	-123.67	366.36	3.82	-119.85
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000443628	0	33	-2.0	-116.12	321.35	0.93	-115.19
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(C)=N1	REAL300000443629	0	38	-2.0	-110.19	353.33	2.60	-107.59
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000443630	0	31	-2.0	-105.42	325.28	1.77	-103.65
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000443631	0	41	-2.0	-111.78	371.26	4.68	-107.10
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000443631	1	41	-2.0	-104.54	371.45	3.58	-100.96
CC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000443632	0	41	-2.0	-117.97	370.57	4.68	-113.29
CC1=CC=CC(C(=O)[N-]NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000443632	1	41	-2.0	-112.12	370.76	3.58	-108.54
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(C)=N2)C=C(C(=O)[O-])O1	REAL300000443633	0	37	-2.0	-110.53	347.26	2.72	-107.81
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000443634	1	43	-2.0	-108.88	375.05	5.79	-103.09
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000443635	1	43	-2.0	-99.68	368.64	5.70	-93.98
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000443636	1	43	-2.0	-111.85	371.54	5.73	-106.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2C)C=C1C(=O)[O-]	REAL300000443637	1	46	-2.0	-113.73	386.75	6.28	-107.45
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000443638	0	43	-2.0	-109.61	377.58	5.76	-103.85
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000443639	0	40	-2.0	-106.97	363.37	4.71	-102.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)N(C)C)=C1C	REAL300000443640	1	46	-2.0	-114.68	385.61	6.49	-108.19
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000443641	0	44	-2.0	-110.12	378.71	5.05	-105.07
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2C)=C1	REAL300000443642	0	43	-2.0	-102.34	379.29	5.38	-96.96
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000443643	0	40	-2.0	-107.08	362.37	4.78	-102.30
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2C)C=C(C(=O)[O-])O1	REAL300000443644	0	43	-2.0	-106.01	374.14	4.88	-101.13
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2C)C=C(C(=O)[O-])S1	REAL300000443645	1	43	-2.0	-110.40	379.46	5.60	-104.80
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000443646	1	43	-2.0	-98.93	374.26	5.76	-93.17
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000443647	0	40	-2.0	-101.50	362.84	4.83	-96.67
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000443648	1	43	-2.0	-103.25	377.13	5.82	-97.43
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000443649	0	43	-2.0	-99.09	376.62	5.82	-93.27
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000443650	0	44	-2.0	-112.79	381.28	3.43	-109.36
CC1=C(NC(=O)N(C)C)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000443650	1	44	-2.0	-111.25	374.67	4.33	-106.92
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000443651	1	46	-2.0	-103.63	392.75	6.48	-97.15
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000443652	1	46	-2.0	-108.42	381.24	6.39	-102.03
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2C)C=C1C(=O)[O-]	REAL300000443654	0	47	-2.0	-111.69	398.52	5.91	-105.78
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2C)=CC=C1C(=O)[O-]	REAL300000443655	1	46	-2.0	-99.56	386.73	6.29	-93.27
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000443656	0	43	-2.0	-114.63	373.41	5.75	-108.88
CC1=C(NC(=O)N(C)C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000443657	0	42	-2.0	-110.68	367.57	3.75	-106.93
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2C)C=C(C(=O)[O-])O1	REAL300000443658	0	46	-2.0	-107.32	392.71	5.68	-101.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=CC=C1F	REAL300000443659	1	36	-2.0	-121.38	335.58	5.37	-116.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1	REAL300000443660	1	36	-2.0	-111.20	331.02	5.35	-105.85
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443661	1	36	-2.0	-124.34	331.04	5.34	-119.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCC2=O)=C1	REAL300000443662	0	40	-2.0	-128.54	359.18	5.14	-123.40
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1	REAL300000443663	1	40	-2.0	-110.10	362.49	6.64	-103.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1C(=O)[O-]	REAL300000443664	1	39	-2.0	-125.72	347.05	5.88	-119.84
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443665	0	36	-2.0	-118.35	344.11	5.92	-112.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=CC=C1Cl	REAL300000443666	1	36	-2.0	-119.95	343.55	5.74	-114.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1C	REAL300000443667	1	42	-2.0	-125.69	363.71	6.70	-118.99
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443668	0	36	-2.0	-120.55	336.51	5.41	-115.14
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1	REAL300000443669	1	42	-2.0	-109.15	374.62	6.94	-102.21
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443670	0	33	-2.0	-118.35	324.22	4.37	-113.98
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCC2=O)=C1	REAL300000443671	1	39	-2.0	-123.40	346.47	6.13	-117.27
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1	REAL300000443672	1	40	-2.0	-108.86	362.11	5.63	-103.23
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1C(=O)[O-]	REAL300000443673	0	37	-2.0	-122.68	337.68	4.70	-117.98
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443675	0	36	-2.0	-114.40	340.15	5.03	-109.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=CS1	REAL300000443677	0	33	-2.0	-119.85	322.69	4.38	-115.47
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCC2=O)=C1	REAL300000443679	1	45	-2.0	-125.62	384.94	7.34	-118.28
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCC2=O)=C1	REAL300000443680	1	42	-2.0	-121.00	361.18	7.06	-113.94
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCC2=O)=C1	REAL300000443681	0	43	-2.0	-130.90	381.47	5.91	-124.99
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443682	0	39	-2.0	-119.24	361.91	5.91	-113.33
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443682	1	38	-3.0	-202.65	359.44	5.91	-196.74
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443683	1	43	-2.0	-127.99	375.28	7.24	-120.75
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000443684	0	36	-2.0	-116.64	334.04	4.48	-112.16
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443685	0	40	-2.0	-125.84	360.02	4.43	-121.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C(Cl)C=C1F	REAL300000443686	0	36	-2.0	-114.78	348.63	5.94	-108.84
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCC2=O)=C1	REAL300000443688	1	39	-2.0	-114.01	351.74	6.16	-107.85
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1F	REAL300000443689	1	40	-2.0	-108.18	368.34	5.69	-102.49
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1C(=O)[O-]	REAL300000443690	1	43	-2.0	-130.83	380.19	6.32	-124.51
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C(C(=O)[O-])S1	REAL300000443691	0	36	-2.0	-119.85	339.64	5.23	-114.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C(Cl)=C1	REAL300000443692	0	36	-2.0	-108.64	344.09	5.91	-102.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1F	REAL300000443693	1	36	-2.0	-110.58	335.56	5.38	-105.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)S1	REAL300000443694	0	33	-2.0	-113.05	323.31	4.46	-108.59
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443695	1	36	-2.0	-114.93	337.44	5.41	-109.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1F	REAL300000443696	0	39	-2.0	-122.16	356.79	6.05	-116.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C(F)=C1	REAL300000443697	0	36	-2.0	-111.10	336.50	5.42	-105.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1Cl	REAL300000443698	1	36	-2.0	-108.73	343.53	5.75	-102.98
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCC2=O)=C1	REAL300000443699	1	39	-2.0	-115.60	360.48	6.55	-109.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=CC(F)=C1F	REAL300000443700	1	36	-2.0	-112.70	341.85	5.44	-107.26
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443701	0	38	-2.0	-108.81	359.22	6.01	-102.80
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443702	0	37	-2.0	-121.63	340.75	3.05	-118.58
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443702	1	37	-2.0	-119.84	339.84	3.93	-115.91
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1	REAL300000443703	1	39	-2.0	-113.95	353.22	6.13	-107.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=CC(Cl)=C1F	REAL300000443704	1	36	-2.0	-114.19	351.74	5.87	-108.32
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2CCC2=O)=C1	REAL300000443705	1	39	-2.0	-121.71	341.10	5.98	-115.73
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000443706	1	39	-2.0	-122.90	355.87	6.00	-116.90
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000443708	1	42	-2.0	-129.29	367.83	6.51	-122.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=CC=C1[N+](=O)[O-]	REAL300000443709	0	38	-2.0	-121.97	357.59	6.44	-115.53
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443710	0	36	-2.0	-112.35	342.79	5.47	-106.88
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1C(=O)[O-]	REAL300000443712	0	39	-2.0	-123.02	356.35	6.04	-116.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1Cl	REAL300000443713	0	39	-2.0	-120.29	362.80	6.48	-113.81
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443714	0	39	-2.0	-131.20	356.07	6.04	-125.16
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1C(=O)[O-]	REAL300000443715	1	42	-2.0	-126.42	364.97	6.53	-119.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1CC(=O)[O-]	REAL300000443716	1	43	-2.0	-124.60	381.50	5.48	-119.12
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCC2=O)=C1	REAL300000443717	1	39	-2.0	-114.35	357.82	6.49	-107.86
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000443718	1	39	-2.0	-121.92	362.26	6.30	-115.62
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1C(=O)[O-]	REAL300000443719	0	40	-2.0	-124.03	359.05	5.57	-118.46
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1C(=O)[O-]	REAL300000443720	1	39	-2.0	-118.92	364.78	6.41	-112.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=CC=C1C(=O)[O-]	REAL300000443721	1	39	-2.0	-111.51	347.04	5.89	-105.62
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCC2=O)=C1	REAL300000443722	1	39	-2.0	-120.78	350.57	6.18	-114.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1[N+](=O)[O-]	REAL300000443723	0	38	-2.0	-133.44	354.78	7.20	-126.24
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1F	REAL300000443724	0	36	-2.0	-130.23	334.65	5.37	-124.86
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C1C(=O)[O-]	REAL300000443725	1	39	-2.0	-117.00	355.98	6.02	-110.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=CC2=CC=CC=C21	REAL300000443726	1	42	-2.0	-133.11	372.07	7.46	-125.65
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C1	REAL300000443727	0	35	-2.0	-119.78	328.02	3.40	-116.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2CCC2=O)=C1	REAL300000443728	0	40	-2.0	-115.65	359.23	5.15	-110.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)=C(Cl)O1	REAL300000443729	0	33	-2.0	-110.91	331.18	4.32	-106.59
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(N4CCC4=O)=CC=C3)C=C2)CC1	REAL300000443730	1	43	-2.0	-117.21	377.16	7.22	-109.99
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4CCC4=O)=C3)C=C2C1	REAL300000443731	1	43	-2.0	-123.87	376.48	7.24	-116.63
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000443732	0	39	-2.0	-116.08	353.17	5.33	-110.75
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC=C(F)C=C32)=CC(C(=O)[O-])=C1	REAL300000443761	0	35	-2.0	-114.01	327.83	7.62	-106.39
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC=C(F)C=C32)=C1	REAL300000443790	0	33	-2.0	-112.13	297.90	5.72	-106.41
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1F	REAL300000443827	1	34	-2.0	-86.32	341.17	6.19	-80.13
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(Cl)=C1F	REAL300000443828	1	34	-2.0	-97.45	341.18	6.18	-91.27
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(Cl)=C1F	REAL300000443829	0	31	-2.0	-92.20	334.36	5.20	-87.00
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(Cl)=C1F	REAL300000443830	0	35	-2.0	-96.09	347.82	5.54	-90.55
COC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(Cl)=C1F	REAL300000443831	0	31	-2.0	-93.64	332.83	5.23	-88.41
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC(Cl)=C1F	REAL300000443832	0	34	-2.0	-92.68	344.18	5.33	-87.35
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(Cl)=C1F	REAL300000443833	0	31	-2.0	-87.60	333.44	5.31	-82.29
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(Cl)=C1F	REAL300000443834	0	33	-2.0	-94.85	337.40	4.31	-90.54
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000443835	0	45	-2.0	-84.41	394.62	3.57	-80.84
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000443836	0	38	-2.0	-99.73	342.67	5.02	-94.71
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(CC(C)C)N=C1	REAL300000443837	0	46	-2.0	-101.22	397.75	6.08	-95.14
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000443838	0	38	-2.0	-90.09	338.12	5.00	-85.09
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000443839	0	38	-2.0	-101.81	338.16	4.98	-96.83
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(CC(C)C)N=C1	REAL300000443840	0	42	-2.0	-107.35	366.28	4.79	-102.56
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000443841	0	42	-2.0	-90.21	369.61	6.28	-83.93
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000443842	0	41	-2.0	-102.79	354.17	5.53	-97.26
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000443843	0	38	-2.0	-97.98	351.20	5.56	-92.42
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000443844	0	38	-2.0	-97.85	350.64	5.38	-92.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)=C1C	REAL300000443845	0	44	-2.0	-105.07	370.53	6.31	-98.76
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000443846	0	38	-2.0	-99.09	343.61	5.05	-94.04
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000443847	0	44	-2.0	-89.30	381.73	6.57	-82.73
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000443848	0	35	-2.0	-96.30	331.32	4.02	-92.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(CC(C)C)N=C1	REAL300000443849	0	41	-2.0	-103.39	353.56	5.78	-97.61
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000443850	0	42	-2.0	-88.80	369.20	5.28	-83.52
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000443851	0	39	-2.0	-100.29	344.78	4.35	-95.94
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(CC(C)C)N=C1	REAL300000443852	0	42	-2.0	-103.79	362.37	3.80	-99.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)=C1	REAL300000443853	0	38	-2.0	-92.61	347.25	4.68	-87.93
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000443854	0	44	-2.0	-104.74	369.20	6.34	-98.40
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000443855	0	35	-2.0	-97.97	329.79	4.01	-93.96
COC1=CC(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000443856	0	46	-2.0	-102.17	396.42	4.80	-97.37
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000443857	0	42	-2.0	-107.93	365.42	5.06	-102.87
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000443858	0	48	-2.0	-106.67	393.39	7.61	-99.06
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=N1	REAL300000443859	0	47	-2.0	-105.27	392.03	7.01	-98.26
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(CC(C)C)N=C1	REAL300000443860	0	44	-2.0	-102.14	368.28	6.73	-95.41
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(CC(C)C)N=C1	REAL300000443861	0	45	-2.0	-107.46	388.59	5.55	-101.91
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000443862	0	40	-3.0	-175.03	366.55	5.56	-169.47
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000443863	0	45	-2.0	-106.96	382.38	6.88	-100.08
CC1=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000443864	0	38	-2.0	-96.27	341.17	4.13	-92.14
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000443865	0	44	-2.0	-106.52	380.31	4.76	-101.76
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)=C1	REAL300000443866	0	42	-2.0	-103.24	367.12	4.09	-99.15
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000443867	0	46	-2.0	-90.01	391.79	5.60	-84.41
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000443868	0	38	-2.0	-94.96	355.72	5.59	-89.37
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000443869	0	42	-2.0	-87.55	385.23	5.82	-81.73
CC1=CC(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000443870	0	45	-2.0	-89.17	389.29	5.98	-83.19
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(CC(C)C)N=C1	REAL300000443871	0	41	-2.0	-94.00	358.84	5.82	-88.18
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000443872	0	42	-2.0	-88.51	375.43	5.34	-83.17
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000443873	0	45	-2.0	-108.57	387.27	5.97	-102.60
CC1=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000443874	0	38	-2.0	-99.83	346.73	4.89	-94.94
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000443875	0	38	-2.0	-87.91	351.18	5.55	-82.36
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000443876	0	38	-2.0	-89.74	342.66	5.03	-84.71
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000443877	0	35	-2.0	-91.46	330.43	4.11	-87.35
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000443878	0	38	-2.0	-93.14	344.51	5.06	-88.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)=C1F	REAL300000443879	0	41	-2.0	-100.30	363.89	5.70	-94.60
COC1=CC(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000443880	0	42	-2.0	-92.53	378.44	5.61	-86.92
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000443881	0	38	-2.0	-89.21	343.59	5.06	-84.15
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000443882	0	38	-2.0	-87.68	350.63	5.39	-82.29
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(CC(C)C)N=C1	REAL300000443883	0	41	-2.0	-95.61	367.58	6.20	-89.41
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000443884	0	46	-2.0	-87.25	401.88	6.40	-80.85
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000443885	0	38	-2.0	-91.50	348.93	5.09	-86.41
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000443886	0	40	-2.0	-87.30	366.30	5.66	-81.64
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000443887	0	39	-2.0	-102.40	347.85	2.71	-99.69
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000443888	0	41	-2.0	-93.54	360.30	5.78	-87.76
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000443889	0	38	-2.0	-92.83	358.81	5.52	-87.31
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C(CC(C)C)N=C1	REAL300000443890	0	41	-2.0	-98.29	348.23	5.62	-92.67
CC1=CC(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000443891	0	41	-2.0	-100.86	362.97	5.64	-95.22
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(CC(C)C)N=C1	REAL300000443892	0	41	-2.0	-90.61	353.55	5.76	-84.85
CC1=CC(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000443893	0	44	-2.0	-106.16	374.94	6.16	-100.00
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000443894	0	40	-2.0	-100.86	364.69	6.09	-94.77
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000443895	0	38	-2.0	-90.83	349.89	5.12	-85.71
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000443896	0	44	-2.0	-102.45	372.64	6.36	-96.09
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000443897	0	41	-2.0	-100.01	359.61	5.59	-94.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)=C1Cl	REAL300000443898	0	41	-2.0	-99.54	369.89	6.13	-93.41
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)=C1	REAL300000443899	0	41	-2.0	-106.38	363.17	5.68	-100.70
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000443900	0	44	-2.0	-103.49	372.10	6.17	-97.32
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C=C1CC(=O)[O-]	REAL300000443901	0	45	-2.0	-103.97	388.63	5.11	-98.86
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN=C(CC(C)C)N=C1	REAL300000443902	0	41	-2.0	-91.60	364.92	6.14	-85.46
CC1=CC(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000443903	0	41	-2.0	-99.42	369.36	5.95	-93.47
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000443904	0	42	-2.0	-101.47	366.15	5.21	-96.26
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000443905	0	50	-2.0	-102.39	403.28	7.87	-94.52
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000443906	0	41	-2.0	-96.33	371.85	6.06	-90.27
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300000443907	0	47	-2.0	-99.94	387.57	7.12	-92.82
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000443908	0	42	-2.0	-103.47	378.46	5.63	-97.84
CC1=CC(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000443909	0	41	-2.0	-90.06	354.17	5.53	-84.53
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000443910	0	43	-2.0	-94.70	381.41	7.17	-87.53
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(CC(C)C)N=C1	REAL300000443911	0	41	-2.0	-100.95	358.12	5.80	-95.15
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000443912	0	40	-2.0	-109.19	361.89	6.85	-102.34
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000443913	0	38	-2.0	-105.77	341.75	5.02	-100.75
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000443914	0	41	-2.0	-94.61	363.04	5.67	-88.94
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000443915	0	44	-2.0	-110.00	379.18	7.11	-102.89
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000443916	0	37	-2.0	-99.40	334.35	3.12	-96.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(CC(C)C)N=C1	REAL300000443917	0	42	-2.0	-94.06	366.34	4.80	-89.26
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000443918	0	35	-2.0	-90.18	338.28	3.96	-86.22
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000443919	0	45	-2.0	-96.62	384.26	6.88	-89.74
CC(C)CC1=NC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000443920	0	45	-2.0	-99.41	383.55	6.88	-92.53
CCC1=C(S(=O)(=O)[N-]C2=CN=C(CC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000443921	0	41	-2.0	-96.28	360.29	4.98	-91.30
COC(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1F	REAL300000443928	1	34	-2.0	-101.61	336.67	5.84	-95.77
COC(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1F	REAL300000443930	0	31	-2.0	-99.67	324.39	4.79	-94.88
COC(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1F	REAL300000443932	1	35	-2.0	-103.68	337.85	5.12	-98.56
COC(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1F	REAL300000443933	0	34	-2.0	-96.01	340.33	5.46	-90.55
COC(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1F	REAL300000443935	1	31	-2.0	-101.14	322.85	4.81	-96.33
COC(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1F	REAL300000443937	1	34	-2.0	-98.89	334.21	4.91	-93.98
COC(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1F	REAL300000443938	1	34	-2.0	-101.78	340.89	5.67	-96.11
COC(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1F	REAL300000443940	0	31	-2.0	-94.86	323.46	4.90	-89.96
COC(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1F	REAL300000443942	1	34	-2.0	-92.79	336.66	5.85	-86.94
COC(=O)C1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1F	REAL300000443943	0	35	-2.0	-104.67	339.18	4.32	-100.35
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)OC)=C2F)C=C1C(=O)[O-]	REAL300000443950	1	38	-2.0	-104.95	359.22	5.99	-98.96
COC(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000443952	1	34	-2.0	-110.31	334.83	5.80	-104.51
COC(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1F	REAL300000443953	0	33	-2.0	-102.82	327.41	3.90	-98.92
COC(=O)C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1F	REAL300000443954	0	31	-2.0	-93.14	331.31	4.76	-88.38
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)OC)=C2F)C=C(C(=O)[O-])O1	REAL300000443955	1	37	-2.0	-98.54	353.32	5.76	-92.78
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1OC	REAL300000443956	1	38	-2.0	-101.49	352.04	5.76	-95.73
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300000443957	1	38	-2.0	-91.90	347.50	5.73	-86.17
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1OC	REAL300000443958	1	38	-2.0	-103.65	347.51	5.72	-97.93
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1OC	REAL300000443959	0	42	-2.0	-108.74	375.66	5.53	-103.21
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1OC	REAL300000443960	1	42	-2.0	-91.91	378.97	7.02	-84.89
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000443961	1	41	-2.0	-105.98	367.58	6.37	-99.61
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1OC	REAL300000443962	0	38	-2.0	-99.37	360.58	6.30	-93.07
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1OC	REAL300000443963	1	38	-2.0	-99.69	360.02	6.12	-93.57
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1OC	REAL300000443964	1	44	-2.0	-106.60	380.19	7.08	-99.52
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1OC	REAL300000443965	0	38	-2.0	-100.60	352.99	5.79	-94.81
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1OC	REAL300000443966	1	44	-2.0	-90.96	391.08	7.32	-83.64
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1OC	REAL300000443967	0	35	-2.0	-98.14	340.69	4.75	-93.39
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1OC	REAL300000443968	1	41	-2.0	-104.63	362.94	6.52	-98.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1OC	REAL300000443969	1	42	-2.0	-90.59	378.59	6.01	-84.58
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000443970	0	39	-2.0	-102.12	354.16	5.08	-97.04
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1OC	REAL300000443971	1	42	-2.0	-105.19	371.72	4.55	-100.64
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1OC	REAL300000443972	0	38	-2.0	-94.45	356.63	5.41	-89.04
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1OC	REAL300000443973	1	44	-2.0	-106.06	378.58	7.07	-98.99
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1OC	REAL300000443974	0	35	-2.0	-99.62	339.16	4.78	-94.84
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1OC	REAL300000443975	1	42	-2.0	-109.50	374.79	5.79	-103.71
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC)C(OC)=C1	REAL300000443976	1	44	-2.0	-103.30	377.66	7.46	-95.84
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1OC	REAL300000443977	0	38	-2.0	-97.93	350.52	4.87	-93.06
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1OC	REAL300000443978	0	42	-2.0	-104.84	376.50	4.81	-100.03
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1OC	REAL300000443979	0	41	-2.0	-95.53	368.22	6.55	-88.98
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1OC	REAL300000443980	0	38	-2.0	-101.31	356.11	5.63	-95.68
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1OC	REAL300000443981	0	38	-2.0	-89.69	360.56	6.29	-83.40
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OC	REAL300000443982	0	38	-2.0	-91.63	352.04	5.77	-85.86
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1OC	REAL300000443983	0	35	-2.0	-93.33	339.78	4.86	-88.47
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OC	REAL300000443984	0	38	-2.0	-94.76	353.92	5.79	-88.97
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1OC	REAL300000443985	0	41	-2.0	-101.85	373.28	6.43	-95.42
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1OC	REAL300000443986	0	38	-2.0	-91.16	352.97	5.80	-85.36
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1OC	REAL300000443987	1	38	-2.0	-89.60	360.01	6.13	-83.47
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1OC	REAL300000443988	0	39	-2.0	-103.55	357.23	3.43	-100.12
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1OC	REAL300000443989	1	41	-2.0	-95.05	369.68	6.51	-88.54
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1OC	REAL300000443990	1	41	-2.0	-100.12	357.58	6.36	-93.76
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1OC	REAL300000443991	1	41	-2.0	-102.75	372.36	6.38	-96.37
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1OC	REAL300000443992	1	41	-2.0	-92.27	362.92	6.51	-85.76
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000443993	1	44	-2.0	-106.30	380.40	6.79	-99.51
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1OC	REAL300000443994	1	44	-2.0	-104.21	381.99	7.13	-97.08
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1OC	REAL300000443995	0	41	-2.0	-102.79	372.83	6.42	-96.37
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1OC	REAL300000443996	0	41	-2.0	-108.30	372.55	6.42	-101.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(OC)=C2)C=C1C(=O)[O-]	REAL300000443997	1	44	-2.0	-105.20	381.76	6.91	-98.29
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(OC)=C2)C=C1C(=O)[O-]	REAL300000443998	0	42	-2.0	-103.36	375.53	5.95	-97.41
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1OC	REAL300000443999	1	41	-2.0	-91.94	363.52	6.27	-85.67
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1OC	REAL300000444000	1	41	-2.0	-102.71	367.05	6.57	-96.14
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1OC	REAL300000444001	0	38	-2.0	-107.69	351.17	5.76	-101.93
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000444002	0	41	-2.0	-96.40	372.45	6.40	-90.00
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1OC	REAL300000444003	0	37	-2.0	-100.56	344.50	3.79	-96.77
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1OC	REAL300000444004	0	42	-2.0	-95.83	375.71	5.53	-90.30
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1OC	REAL300000444005	0	35	-2.0	-91.99	347.66	4.70	-87.29
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000444006	0	41	-2.0	-97.93	369.64	5.72	-92.21
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1NC(N)=O	REAL300000444009	1	38	-2.0	-117.74	342.70	0.50	-117.24
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1NC(N)=O	REAL300000444010	0	42	-2.0	-123.89	370.84	0.31	-123.58
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1NC(N)=O	REAL300000444013	0	38	-2.0	-113.83	355.77	1.08	-112.75
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1NC(N)=O	REAL300000444014	1	38	-2.0	-115.01	355.21	0.89	-114.12
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1NC(N)=O	REAL300000444016	0	38	-2.0	-115.56	348.17	0.57	-114.99
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1NC(N)=O	REAL300000444017	1	44	-2.0	-104.06	386.26	2.10	-101.96
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1NC(N)=O	REAL300000444018	0	35	-2.0	-112.03	335.88	-0.49	-112.52
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1NC(N)=O	REAL300000444021	1	39	-2.0	-116.30	349.34	-0.15	-116.45
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1NC(N)=O	REAL300000444023	0	38	-2.0	-108.43	351.81	0.19	-108.24
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1NC(N)=O	REAL300000444025	1	35	-2.0	-113.46	334.34	-0.46	-113.92
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1NC(N)=O	REAL300000444028	0	38	-2.0	-112.05	345.71	-0.36	-112.41
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1NC(N)=O	REAL300000444029	0	42	-2.0	-119.24	371.68	-0.40	-119.64
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1NC(N)=O	REAL300000444030	1	41	-2.0	-109.51	363.42	1.33	-108.18
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1NC(N)=O	REAL300000444031	1	38	-2.0	-115.42	351.29	0.40	-115.02
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1NC(N)=O	REAL300000444032	1	38	-2.0	-103.17	355.75	1.07	-102.10
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1NC(N)=O	REAL300000444033	1	38	-2.0	-104.91	347.22	0.54	-104.37
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1NC(N)=O	REAL300000444034	0	35	-2.0	-107.22	334.96	-0.37	-107.59
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1NC(N)=O	REAL300000444035	1	38	-2.0	-109.81	349.10	0.58	-109.23
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1NC(N)=O	REAL300000444036	0	41	-2.0	-117.08	368.45	1.21	-115.87
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1NC(N)=O	REAL300000444037	0	38	-2.0	-105.18	348.16	0.58	-104.60
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1NC(N)=O	REAL300000444039	0	39	-2.0	-117.43	352.41	-1.78	-119.21
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1NC(N)=O	REAL300000444039	1	39	-2.0	-110.75	341.42	-0.90	-111.65
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1NC(N)=O	REAL300000444040	1	41	-2.0	-108.72	364.86	1.29	-107.43
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1NC(N)=O	REAL300000444046	0	41	-2.0	-116.60	363.89	1.09	-115.51
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1NC(N)=O	REAL300000444047	0	41	-2.0	-123.63	367.71	1.19	-122.44
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C(NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000444049	1	42	-2.0	-117.59	370.71	0.71	-116.88
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1NC(N)=O	REAL300000444052	0	38	-2.0	-122.70	346.31	0.53	-122.17
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1NC(N)=O	REAL300000444053	1	41	-2.0	-111.70	367.10	1.17	-110.53
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1NC(N)=O	REAL300000444054	0	37	-2.0	-114.38	339.68	-1.45	-115.83
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1NC(N)=O	REAL300000444055	0	42	-2.0	-110.10	370.90	0.31	-109.79
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1NC(N)=O	REAL300000444056	0	35	-2.0	-105.91	342.84	-0.52	-106.43
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C(NC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000444057	0	41	-2.0	-111.77	364.83	0.49	-111.28
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000444058	1	41	-2.0	-123.31	355.60	4.07	-119.24
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000444059	1	41	-2.0	-113.54	351.06	4.05	-109.49
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000444060	1	41	-2.0	-127.70	351.06	4.04	-123.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCN(C(N)=O)C3=C2)C=C1C(=O)[O-]	REAL300000444061	1	44	-2.0	-127.61	366.87	4.58	-123.03
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000444062	0	41	-2.0	-124.01	356.55	4.11	-119.90
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000444063	0	38	-2.0	-121.31	344.25	3.06	-118.25
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCN(C(N)=O)C2=C1	REAL300000444064	1	44	-2.0	-127.05	366.49	4.83	-122.22
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCCN(C(N)=O)C3=C2)C=C1C(=O)[O-]	REAL300000444065	0	42	-2.0	-125.80	357.71	3.39	-122.41
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCCN(C(N)=O)C3=C2)=C1	REAL300000444066	0	41	-2.0	-116.60	360.20	3.73	-112.87
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000444067	0	38	-2.0	-122.00	342.72	3.09	-118.91
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCCN(C(N)=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000444068	0	41	-2.0	-119.66	353.69	3.11	-116.55
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCCN(C(N)=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000444069	0	41	-2.0	-123.08	360.75	3.93	-119.15
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000444070	1	41	-2.0	-112.75	355.60	4.09	-108.66
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000444071	0	38	-2.0	-115.26	343.33	3.17	-112.09
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000444072	1	41	-2.0	-117.98	357.48	4.12	-113.86
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000444073	0	41	-2.0	-113.27	356.55	4.12	-109.15
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000444074	0	42	-2.0	-125.35	360.78	1.76	-123.59
NC(=O)N1CCCC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000444074	1	42	-2.0	-123.68	359.82	2.59	-121.09
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000444075	1	44	-2.0	-116.67	373.26	4.83	-111.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CCCN(C(N)=O)C2=C1	REAL300000444076	1	44	-2.0	-123.89	360.23	4.63	-119.26
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCCN(C(N)=O)C3=C2)C=C1C(=O)[O-]	REAL300000444078	0	45	-2.0	-127.21	379.08	4.25	-122.96
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCCN(C(N)=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000444079	1	44	-2.0	-113.70	366.85	4.59	-109.11
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000444080	0	41	-2.0	-131.95	354.73	4.08	-127.87
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000444081	0	40	-2.0	-123.09	348.06	2.11	-120.98
NC(=O)N1CCCC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000444082	0	38	-2.0	-113.64	351.22	3.03	-110.61
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCCN(C(N)=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000444083	0	44	-2.0	-119.19	372.82	3.96	-115.23
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000444084	1	37	-2.0	-111.95	341.01	3.11	-108.84
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000444085	1	37	-2.0	-100.93	336.46	3.09	-97.84
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000444086	1	37	-2.0	-121.32	336.46	3.08	-118.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(N)=O)=C1	REAL300000444087	0	41	-2.0	-125.93	364.61	2.87	-123.06
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000444088	1	41	-2.0	-100.94	367.93	4.37	-96.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000444089	1	40	-2.0	-118.66	352.74	3.62	-115.04
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000444090	0	37	-2.0	-108.54	349.53	3.65	-104.89
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000444091	1	37	-2.0	-110.36	348.98	3.47	-106.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)=C1C	REAL300000444092	1	43	-2.0	-123.45	369.14	4.43	-119.02
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000444093	0	37	-2.0	-110.15	341.94	3.14	-107.01
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000444094	1	43	-2.0	-100.09	380.05	4.66	-95.43
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000444095	0	34	-2.0	-106.98	329.64	2.09	-104.89
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(N)=O)=C1	REAL300000444096	1	40	-2.0	-121.18	351.89	3.86	-117.32
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000444097	1	41	-2.0	-99.37	367.54	3.35	-96.02
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000444098	0	38	-2.0	-111.14	343.11	2.43	-108.71
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)=C1	REAL300000444100	0	37	-2.0	-109.50	345.57	2.76	-106.74
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000444101	1	43	-2.0	-121.78	367.87	4.44	-117.34
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000444102	0	34	-2.0	-116.56	328.11	2.11	-114.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000444103	1	41	-2.0	-127.24	363.75	3.15	-124.09
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(N)=O)=C1	REAL300000444104	1	46	-2.0	-123.44	390.36	5.09	-118.35
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(N)=O)=C1	REAL300000444105	1	43	-2.0	-119.17	366.63	4.80	-114.37
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(N)=O)=C1	REAL300000444106	0	44	-2.0	-124.83	386.89	3.63	-121.20
CN(C(N)=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000444107	0	40	-2.0	-109.54	371.81	3.52	-106.02
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000444107	1	39	-3.0	-188.22	364.87	3.63	-184.59
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000444108	1	44	-2.0	-117.63	380.70	4.97	-112.66
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000444109	0	37	-2.0	-113.73	339.50	2.21	-111.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)=C1	REAL300000444110	0	41	-2.0	-120.96	365.38	2.17	-118.79
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(N)=O)=C1	REAL300000444112	1	40	-2.0	-111.42	357.17	3.90	-107.52
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000444113	1	41	-2.0	-99.04	373.76	3.42	-95.62
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000444114	1	44	-2.0	-125.03	385.61	4.05	-120.98
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)C=C(C(=O)[O-])S1	REAL300000444115	0	37	-2.0	-117.23	346.15	2.96	-114.27
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000444116	0	37	-2.0	-98.70	349.51	3.64	-95.06
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000444117	1	37	-2.0	-100.31	340.98	3.12	-97.19
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000444118	0	34	-2.0	-102.86	328.73	2.20	-100.66
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000444119	1	37	-2.0	-103.53	342.87	3.14	-100.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)=C1F	REAL300000444120	0	40	-2.0	-118.97	362.22	3.78	-115.19
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000444121	0	37	-2.0	-100.63	341.92	3.15	-97.48
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000444122	1	37	-2.0	-98.39	348.96	3.48	-94.91
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(N)=O)=C1	REAL300000444123	1	40	-2.0	-113.15	365.90	4.28	-108.87
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000444124	1	37	-2.0	-107.48	347.28	3.17	-104.31
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000444125	0	39	-2.0	-97.83	364.65	3.75	-94.08
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000444126	0	38	-2.0	-112.64	346.17	0.79	-111.85
CN(C(N)=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000444126	1	38	-2.0	-108.46	345.30	1.65	-106.81
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000444127	1	40	-2.0	-104.73	358.65	3.85	-100.88
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(N)=O)=C1	REAL300000444128	1	40	-2.0	-113.99	346.84	3.74	-110.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000444129	1	40	-2.0	-117.20	361.29	3.73	-113.47
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000444131	1	43	-2.0	-120.74	369.52	4.16	-116.58
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000444132	0	39	-2.0	-111.27	363.14	4.16	-107.11
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000444133	0	37	-2.0	-101.97	348.22	3.20	-98.77
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000444135	0	40	-2.0	-118.97	361.82	3.78	-115.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)=C1Cl	REAL300000444136	0	40	-2.0	-117.51	368.22	4.22	-113.29
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)=C1	REAL300000444137	0	40	-2.0	-124.36	361.50	3.77	-120.59
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000444138	1	43	-2.0	-115.00	370.66	4.25	-110.75
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)C=C1CC(=O)[O-]	REAL300000444139	1	44	-2.0	-120.01	386.93	3.21	-116.80
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(N)=O)=C1	REAL300000444140	1	40	-2.0	-107.58	362.93	4.25	-103.33
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000444141	1	40	-2.0	-116.13	367.68	4.05	-112.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000444142	0	41	-2.0	-118.48	364.59	3.29	-115.19
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000444143	1	40	-2.0	-109.64	370.46	4.13	-105.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000444144	1	40	-2.0	-101.92	352.43	3.60	-98.32
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(N)=O)=C1	REAL300000444145	1	40	-2.0	-118.64	356.00	3.92	-114.72
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000444146	0	39	-2.0	-122.13	360.19	4.94	-117.19
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000444147	0	37	-2.0	-118.62	340.12	3.11	-115.51
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000444148	1	40	-2.0	-107.82	361.76	3.74	-104.08
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000444149	1	43	-2.0	-126.91	377.49	5.20	-121.71
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000444150	0	36	-2.0	-110.51	333.44	1.13	-109.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N(C)C(N)=O)=C1	REAL300000444151	0	41	-2.0	-111.38	364.66	2.88	-108.50
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000444152	0	34	-2.0	-100.79	336.61	2.06	-98.73
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000444153	1	44	-2.0	-107.20	382.59	4.96	-102.24
CN(C(N)=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000444154	1	44	-2.0	-110.47	381.90	4.96	-105.51
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N(C)C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000444155	0	40	-2.0	-113.49	358.59	3.06	-110.43
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000444156	1	38	-2.0	-122.37	342.94	3.47	-118.90
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000444157	1	38	-2.0	-112.17	338.37	3.44	-108.73
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000444158	1	38	-2.0	-125.28	338.40	3.43	-121.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCN(C(N)=O)C2=C1	REAL300000444159	0	42	-2.0	-129.59	366.54	3.23	-126.36
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C21	REAL300000444160	1	42	-2.0	-111.05	369.84	4.73	-106.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)C=C1C(=O)[O-]	REAL300000444161	1	41	-2.0	-126.63	354.41	3.97	-122.66
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C21	REAL300000444162	0	38	-2.0	-119.44	351.47	4.01	-115.43
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000444163	1	38	-2.0	-120.88	350.91	3.83	-117.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)=C1C	REAL300000444164	1	44	-2.0	-126.71	371.07	4.79	-121.92
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000444165	0	38	-2.0	-121.61	343.87	3.50	-118.11
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C21	REAL300000444166	1	44	-2.0	-110.15	381.96	5.02	-105.13
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000444167	0	35	-2.0	-119.31	331.58	2.45	-116.86
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCN(C(N)=O)C2=C1	REAL300000444168	1	41	-2.0	-124.39	353.83	4.23	-120.16
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C21	REAL300000444169	1	42	-2.0	-109.80	369.46	3.72	-106.08
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)C=C1C(=O)[O-]	REAL300000444170	0	39	-2.0	-123.76	345.04	2.79	-120.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)=C1	REAL300000444172	0	38	-2.0	-115.34	347.51	3.12	-112.22
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)C=C1C(=O)[O-]	REAL300000444173	1	44	-2.0	-126.16	369.46	4.78	-121.38
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000444174	0	35	-2.0	-120.82	330.05	2.47	-118.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)C=C1C(=O)[O-]	REAL300000444175	1	42	-2.0	-131.17	365.69	3.50	-127.67
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCN(C(N)=O)C2=C1	REAL300000444176	1	44	-2.0	-122.03	368.55	5.16	-116.87
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000444177	0	38	-2.0	-117.57	341.40	2.57	-115.00
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)=C1	REAL300000444178	0	42	-2.0	-126.84	367.38	2.52	-124.32
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCN(C(N)=O)C2=C1	REAL300000444179	1	41	-2.0	-114.94	359.10	4.25	-110.69
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000444180	0	38	-2.0	-120.75	348.09	3.33	-117.42
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C21	REAL300000444181	0	38	-2.0	-109.54	351.45	4.00	-105.54
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000444182	1	38	-2.0	-111.50	342.92	3.47	-108.03
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000444183	0	35	-2.0	-114.02	330.67	2.56	-111.46
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000444184	1	38	-2.0	-115.85	344.80	3.50	-112.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)=C1F	REAL300000444185	0	41	-2.0	-123.15	364.16	4.14	-119.01
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000444186	0	38	-2.0	-112.00	343.85	3.51	-108.49
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C21	REAL300000444187	1	38	-2.0	-109.60	350.89	3.84	-105.76
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000444188	1	38	-2.0	-113.61	349.22	3.53	-110.08
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000444189	0	39	-2.0	-122.67	348.11	1.15	-121.52
NC(=O)N1CCC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000444189	1	39	-2.0	-117.85	337.13	2.03	-115.82
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000444190	1	41	-2.0	-114.94	360.56	4.22	-110.72
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CCN(C(N)=O)C2=C1	REAL300000444191	1	41	-2.0	-122.62	348.44	4.07	-118.55
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000444192	1	41	-2.0	-123.91	363.25	4.09	-119.82
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000444194	1	44	-2.0	-129.94	375.90	4.64	-125.30
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C21	REAL300000444195	0	38	-2.0	-113.32	350.15	3.56	-109.76
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)C=C1C(=O)[O-]	REAL300000444197	0	41	-2.0	-124.03	363.71	4.13	-119.90
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)=C1	REAL300000444198	0	41	-2.0	-132.08	363.43	4.13	-127.95
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)C=C1C(=O)[O-]	REAL300000444199	1	44	-2.0	-127.41	372.36	4.62	-122.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)C=C1C(=O)[O-]	REAL300000444200	0	42	-2.0	-125.00	366.42	3.66	-121.34
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000444201	1	41	-2.0	-112.41	354.40	3.98	-108.43
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCN(C(N)=O)C2=C1	REAL300000444202	1	41	-2.0	-121.75	357.93	4.27	-117.48
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000444203	0	38	-2.0	-131.22	342.06	3.47	-127.75
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)C=C1C(=O)[O-]	REAL300000444204	1	41	-2.0	-117.95	363.34	4.11	-113.84
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000444205	0	37	-2.0	-120.82	335.39	1.49	-119.33
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCN(C(N)=O)C2=C1	REAL300000444206	0	42	-2.0	-116.55	366.60	3.23	-113.32
NC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000444207	0	35	-2.0	-111.81	338.54	2.41	-109.40
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCN(C(N)=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000444208	0	41	-2.0	-117.08	360.52	3.43	-113.65
CC(C)C1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000444233	0	44	-2.0	-110.74	374.67	9.12	-101.62
CC(C)C1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000444253	0	42	-2.0	-111.85	344.70	7.24	-104.61
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1	REAL300000444284	0	40	-2.0	-92.95	361.39	-0.49	-93.44
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC=C1F	REAL300000444285	0	33	-2.0	-109.99	309.35	0.97	-109.02
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1	REAL300000444286	0	41	-2.0	-108.92	364.57	2.01	-106.91
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444287	0	33	-2.0	-105.65	321.36	1.60	-104.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1	REAL300000444288	0	33	-2.0	-99.74	304.93	0.92	-98.82
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444289	0	33	-2.0	-108.61	304.87	0.89	-107.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1	REAL300000444290	0	37	-2.0	-115.66	333.08	0.72	-114.94
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC=C1Br	REAL300000444291	0	33	-2.0	-107.70	321.06	1.43	-106.27
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1	REAL300000444292	0	37	-2.0	-98.82	336.38	2.22	-96.60
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1C(=O)[O-]	REAL300000444293	0	36	-2.0	-114.74	324.89	1.59	-113.15
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444294	0	33	-2.0	-106.24	318.01	1.47	-104.77
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC=C1Cl	REAL300000444295	0	33	-2.0	-108.17	317.32	1.34	-106.83
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C(Cl)C=C1Cl	REAL300000444296	0	33	-2.0	-102.14	330.51	1.84	-100.30
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=C(Cl)C=C1Cl	REAL300000444296	1	32	-3.0	-200.21	327.33	1.07	-199.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1C	REAL300000444297	0	39	-2.0	-113.05	337.34	2.20	-110.85
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444298	0	33	-2.0	-107.68	310.42	0.97	-106.71
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1	REAL300000444299	0	39	-2.0	-97.78	348.49	2.51	-95.27
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444300	0	30	-2.0	-106.45	298.13	-0.07	-106.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1	REAL300000444301	0	36	-2.0	-111.41	319.96	1.64	-109.77
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1	REAL300000444302	0	37	-2.0	-97.71	336.00	1.21	-96.50
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCOC3)C=C2)C1	REAL300000444303	0	44	-2.0	-94.57	381.77	1.99	-92.58
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C(Br)S1	REAL300000444304	0	30	-2.0	-102.22	315.16	0.70	-101.52
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=C(Br)S1	REAL300000444304	1	29	-3.0	-198.71	311.85	-0.06	-198.77
CN1C=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1C(=O)[O-]	REAL300000444305	0	34	-2.0	-109.97	311.60	0.27	-109.70
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1	REAL300000444306	0	37	-2.0	-111.68	328.73	-0.32	-112.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444307	0	33	-2.0	-102.10	314.06	0.60	-101.50
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1C(=O)[O-]	REAL300000444308	0	39	-2.0	-112.62	336.01	2.18	-110.44
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CS1	REAL300000444309	0	30	-2.0	-106.96	296.47	-0.02	-106.98
COC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC(C(=O)[O-])=C1OC	REAL300000444310	0	41	-2.0	-111.71	363.15	0.75	-110.96
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1C(=O)[O-]	REAL300000444311	0	37	-2.0	-118.11	332.09	1.01	-117.10
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444312	0	43	-2.0	-115.04	360.05	3.48	-111.56
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1	REAL300000444313	0	42	-2.0	-113.17	358.85	2.90	-110.27
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1	REAL300000444314	0	39	-2.0	-108.99	334.78	2.44	-106.55
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1	REAL300000444315	0	40	-2.0	-117.80	355.37	1.48	-116.32
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC(C(=O)[O-])=C1	REAL300000444316	0	35	-3.0	-187.04	333.36	1.48	-185.56
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444317	0	40	-2.0	-115.36	349.07	2.82	-112.54
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C(C(=O)[O-])O1	REAL300000444318	0	33	-2.0	-105.16	307.95	0.06	-105.10
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC2=C1OCCO2	REAL300000444319	0	39	-2.0	-117.16	347.00	0.72	-116.44
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444320	0	37	-2.0	-114.14	333.85	0.01	-114.13
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCOC3)C=C2C1	REAL300000444321	0	41	-2.0	-98.43	358.45	1.56	-96.87
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC(Cl)=C1Cl	REAL300000444322	0	33	-2.0	-101.03	332.50	1.79	-99.24
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=CC(Cl)=C1Cl	REAL300000444322	1	32	-3.0	-200.32	329.36	1.01	-199.31
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C(Cl)C=C1F	REAL300000444323	0	33	-2.0	-103.37	322.53	1.49	-101.88
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=C(Cl)C=C1F	REAL300000444323	1	32	-3.0	-199.92	319.27	0.72	-199.20
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1Cl	REAL300000444324	0	37	-2.0	-96.44	351.91	1.77	-94.67
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC=C1OCC(=O)[O-]	REAL300000444325	0	40	-2.0	-98.09	355.98	1.93	-96.16
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1F	REAL300000444326	0	43	-2.0	-96.94	384.56	2.19	-94.75
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1	REAL300000444327	0	36	-2.0	-102.43	325.65	1.71	-100.72
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC=C1OCCCC(=O)[O-]	REAL300000444328	0	46	-2.0	-97.85	398.40	2.86	-94.99
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1F	REAL300000444329	0	37	-2.0	-97.47	342.11	1.29	-96.18
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1C(=O)[O-]	REAL300000444330	0	40	-2.0	-117.41	353.95	1.92	-115.49
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C(C(=O)[O-])S1	REAL300000444331	0	33	-2.0	-107.96	314.64	0.78	-107.18
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444332	0	33	-2.0	-100.46	333.16	1.92	-98.54
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=C1	REAL300000444332	1	32	-3.0	-198.59	329.90	1.16	-197.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C(Cl)=C1	REAL300000444333	0	33	-2.0	-97.24	317.99	1.46	-95.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C(Br)=C1	REAL300000444334	0	33	-2.0	-96.82	321.34	1.59	-95.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1F	REAL300000444335	0	33	-2.0	-99.51	309.34	0.98	-98.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)S1	REAL300000444336	0	30	-2.0	-100.97	297.21	0.04	-100.93
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444337	0	33	-2.0	-103.78	311.01	0.99	-102.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1F	REAL300000444338	0	36	-2.0	-109.07	330.70	1.61	-107.46
COC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C(Cl)C=C1C(=O)[O-]	REAL300000444339	0	37	-2.0	-102.03	345.25	1.52	-100.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C(F)=C1	REAL300000444340	0	33	-2.0	-99.02	310.40	0.98	-98.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1Cl	REAL300000444341	0	33	-2.0	-97.43	317.32	1.35	-96.08
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1	REAL300000444342	0	36	-2.0	-103.95	334.39	2.10	-101.85
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1	REAL300000444343	0	41	-2.0	-95.58	368.69	2.32	-93.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1Br	REAL300000444344	0	33	-2.0	-96.92	321.06	1.44	-95.48
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC(F)=C1F	REAL300000444345	0	33	-2.0	-100.76	315.65	1.04	-99.72
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=CC(F)=C1F	REAL300000444345	1	32	-3.0	-197.22	312.51	0.25	-196.97
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444346	0	35	-2.0	-97.44	333.14	1.58	-95.86
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=C1	REAL300000444346	1	34	-3.0	-195.33	329.87	0.83	-194.50
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444347	0	34	-2.0	-109.15	314.66	-1.37	-110.52
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444347	1	33	-3.0	-206.22	311.09	-0.49	-206.71
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1	REAL300000444348	0	36	-2.0	-101.82	327.09	1.71	-100.11
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC(Cl)=C1F	REAL300000444349	0	33	-2.0	-102.06	325.54	1.47	-100.59
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=CC(Cl)=C1F	REAL300000444349	1	32	-3.0	-199.79	322.39	0.69	-199.10
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1CCOC1	REAL300000444350	0	36	-2.0	-108.78	315.01	1.53	-107.25
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC(C(=O)[O-])=C1F	REAL300000444351	0	36	-2.0	-111.37	329.66	1.59	-109.78
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCOC1	REAL300000444352	0	36	-2.0	-100.91	320.04	1.68	-99.23
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC(C(=O)[O-])=C1C	REAL300000444353	0	39	-2.0	-115.42	341.63	2.11	-113.31
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC=C1[N+](=O)[O-]	REAL300000444354	0	35	-2.0	-111.18	331.37	2.04	-109.14
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=CC=C1[N+](=O)[O-]	REAL300000444354	1	34	-3.0	-206.41	328.23	1.26	-205.15
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444355	0	33	-2.0	-99.91	316.70	1.04	-98.87
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=C1	REAL300000444355	1	32	-3.0	-199.79	313.43	0.29	-199.50
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)S1	REAL300000444356	0	30	-2.0	-98.91	317.52	0.58	-98.33
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)S1	REAL300000444356	1	29	-3.0	-195.30	314.34	-0.19	-195.49
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C(C)=C1C(=O)[O-]	REAL300000444357	0	39	-2.0	-113.11	338.95	2.28	-110.83
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1C(=O)[O-]	REAL300000444358	0	36	-2.0	-109.65	326.10	1.52	-108.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1Cl	REAL300000444359	0	36	-2.0	-107.98	336.70	2.03	-105.95
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444360	0	36	-2.0	-117.22	329.96	1.60	-115.62
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1C(=O)[O-]	REAL300000444361	0	39	-2.0	-114.00	338.75	2.13	-111.87
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1CC(=O)[O-]	REAL300000444362	0	40	-2.0	-111.48	355.28	1.07	-110.41
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1	REAL300000444363	0	36	-2.0	-101.92	331.21	2.01	-99.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1C(F)(F)F	REAL300000444364	0	36	-2.0	-96.53	334.93	1.76	-94.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)C=C1C(F)(F)F	REAL300000444364	1	35	-3.0	-186.80	331.80	0.94	-185.86
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC(C(=O)[O-])=C1Cl	REAL300000444365	0	36	-2.0	-109.95	336.04	1.90	-108.05
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444366	0	33	-2.0	-105.55	325.90	1.54	-104.01
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1C(=O)[O-]	REAL300000444367	0	37	-2.0	-112.12	332.96	1.12	-111.00
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C(C)=C1CC(=O)[O-]	REAL300000444368	0	45	-2.0	-113.28	370.10	3.79	-109.49
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C(F)C(Cl)=C1F	REAL300000444369	0	33	-2.0	-99.87	330.21	1.48	-98.39
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=C(F)C(Cl)=C1F	REAL300000444369	1	32	-3.0	-196.32	327.26	0.72	-195.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C(OC(F)(F)F)=C1	REAL300000444370	0	37	-2.0	-98.71	349.65	1.21	-97.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)C(OC(F)(F)F)=C1	REAL300000444370	1	36	-3.0	-195.08	346.38	0.46	-194.62
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1C(=O)[O-]	REAL300000444371	0	36	-2.0	-103.06	338.61	1.96	-101.10
CC(C)(C)C1=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C(C(=O)[O-])S1	REAL300000444372	0	42	-2.0	-108.21	354.66	2.83	-105.38
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1C(=O)[O-]	REAL300000444373	0	37	-2.0	-111.87	345.26	1.53	-110.34
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC=C1C(=O)[O-]	REAL300000444374	0	36	-2.0	-99.73	320.82	1.49	-98.24
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C([N+](=O)[O-])=C1	REAL300000444375	0	38	-2.0	-105.58	345.66	2.97	-102.61
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1	REAL300000444376	0	36	-2.0	-108.94	324.58	1.73	-107.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1[N+](=O)[O-]	REAL300000444377	0	35	-2.0	-119.19	328.69	2.77	-116.42
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=C1[N+](=O)[O-]	REAL300000444377	1	34	-3.0	-223.97	325.49	1.99	-221.98
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1F	REAL300000444378	0	33	-2.0	-116.37	308.61	0.95	-115.42
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C1C(=O)[O-]	REAL300000444379	0	36	-2.0	-101.36	329.81	1.57	-99.79
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC2=CC=CC=C21	REAL300000444380	0	39	-2.0	-119.08	345.86	3.07	-116.01
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444381	0	32	-2.0	-109.50	301.05	-0.93	-110.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCOC1	REAL300000444382	0	37	-2.0	-103.61	333.15	0.72	-102.89
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C(Cl)O1	REAL300000444383	0	30	-2.0	-99.56	305.09	-0.10	-99.66
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=C(Cl)O1	REAL300000444383	1	29	-3.0	-194.06	301.90	-0.89	-194.95
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=CC=C1OC(F)(F)F	REAL300000444384	0	37	-2.0	-107.56	348.59	1.49	-106.07
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=CC=C1OC(F)(F)F	REAL300000444384	1	36	-3.0	-207.03	345.45	0.72	-206.31
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2CCOC2)=C1	REAL300000444385	0	36	-2.0	-103.41	348.28	-2.05	-105.46
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2CCOC2)=C1	REAL300000444385	1	35	-3.0	-203.36	345.11	-2.82	-206.18
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCOC3)C=C2)CC1	REAL300000444386	0	40	-2.0	-105.51	350.95	2.83	-102.68
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCOC3)C=C2C1	REAL300000444387	0	40	-2.0	-111.50	350.39	2.80	-108.70
CCC1=C(S(=O)(=O)[N-]NC(=O)C2CCOC2)C=C(C(=O)[O-])O1	REAL300000444388	0	36	-2.0	-104.82	327.07	0.84	-103.98
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=CC(C)=C1	REAL300000444389	0	44	-2.0	-100.46	389.67	7.94	-92.52
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC(C)=C1	REAL300000444390	0	44	-2.0	-113.50	389.69	7.93	-105.57
CCC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC(C)=C1	REAL300000444391	0	47	-2.0	-114.06	405.70	8.47	-105.59
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C1=CC=CC(C)=C1	REAL300000444392	0	41	-2.0	-107.60	382.88	6.97	-100.63
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NN1C1=CC=CC(C)=C1	REAL300000444393	0	47	-2.0	-114.99	405.12	8.73	-106.26
CCC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC(C)=C1	REAL300000444394	0	45	-2.0	-111.71	396.34	7.30	-104.41
CCC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C1=CC=CC(C)=C1	REAL300000444395	0	41	-2.0	-108.99	381.35	6.98	-102.01
CCC1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=NN1C1=CC=CC(C)=C1	REAL300000444396	0	44	-2.0	-107.44	392.70	7.09	-100.35
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1=CC=CC(C)=C1	REAL300000444397	0	41	-2.0	-102.07	381.95	7.07	-95.00
CCC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1C1=CC=CC(C)=C1	REAL300000444398	0	47	-2.0	-104.24	411.87	8.72	-95.52
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NN1C1=CC=CC(C)=C1	REAL300000444399	0	47	-2.0	-108.43	399.51	8.57	-99.86
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NN1C1=CC=CC(C)=C1	REAL300000444400	0	47	-2.0	-100.70	405.10	8.72	-91.98
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C1=CC=CC(C)=C1	REAL300000444401	0	47	-2.0	-100.59	405.82	8.48	-92.11
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1C1=CC=CC(C)=C1	REAL300000444402	0	43	-2.0	-110.97	385.91	6.06	-104.91
CCC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1C(CC)CC	REAL300000444403	0	46	-2.0	-110.09	398.74	7.01	-103.08
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C(CC)CC	REAL300000444404	0	46	-2.0	-100.00	389.81	6.89	-93.11
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C(CC)CC	REAL300000444405	0	46	-2.0	-113.02	389.82	6.88	-106.14
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=NN1C(CC)CC	REAL300000444406	0	50	-2.0	-119.20	422.34	6.79	-112.41
CCC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=NN1C(CC)CC	REAL300000444407	0	50	-2.0	-99.29	425.65	8.29	-91.00
CCC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C(CC)CC	REAL300000444408	0	49	-2.0	-113.97	410.03	7.54	-106.43
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=NN1C(CC)CC	REAL300000444409	0	46	-2.0	-108.96	407.27	7.56	-101.40
CCC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=NN1C(CC)CC	REAL300000444410	0	46	-2.0	-108.50	406.72	7.38	-101.12
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=NN1C(CC)CC	REAL300000444411	0	52	-2.0	-116.40	427.31	8.32	-108.08
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CCC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=NN1C(CC)CC	REAL300000444413	0	52	-2.0	-98.80	437.78	8.57	-90.23
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C[C@@H]1CN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)C[C@H](C)O1	REAL300000444511	0	44	-2.0	-97.27	384.39	4.44	-92.83
C[C@@H]1CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)C[C@H](C)O1	REAL300000444512	0	46	-2.0	-105.62	389.12	3.38	-102.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)C=C1C	REAL300000444516	0	42	-2.0	-111.39	372.13	6.76	-104.63
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000444519	1	38	-2.0	-101.81	357.05	7.52	-94.29
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000444522	0	38	-2.0	-103.30	349.44	7.02	-96.28
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000444524	0	35	-2.0	-100.68	337.17	5.97	-94.71
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000444527	1	39	-2.0	-104.69	350.57	6.31	-98.38
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C=C2C)=C1	REAL300000444529	0	38	-2.0	-96.86	353.09	6.64	-90.22
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000444531	1	35	-2.0	-102.06	335.57	5.99	-96.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C=C2C)C=C(C(=O)[O-])O1	REAL300000444536	0	38	-2.0	-100.38	346.99	6.09	-94.29
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C=C2C)=C1	REAL300000444537	1	42	-2.0	-107.21	372.90	6.05	-101.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C=C2C)C=C(C(=O)[O-])S1	REAL300000444539	1	38	-2.0	-103.59	353.67	6.84	-96.75
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000444540	1	38	-2.0	-91.73	357.04	7.52	-84.21
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000444542	0	35	-2.0	-95.72	336.24	6.09	-89.63
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000444543	1	38	-2.0	-97.23	350.34	7.01	-90.22
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000444544	0	41	-2.0	-104.65	369.74	7.66	-96.99
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000444545	0	38	-2.0	-93.43	349.43	7.03	-86.40
CC1=CC(N2C=CC=N2)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000444548	0	39	-2.0	-107.34	347.98	5.51	-101.83
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000444548	1	39	-2.0	-106.14	353.70	4.66	-101.48
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000444554	0	38	-2.0	-95.13	355.72	7.08	-88.05
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000444556	0	41	-2.0	-105.58	369.29	7.65	-97.93
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C=C2C)=C1	REAL300000444557	0	41	-2.0	-110.96	369.02	7.66	-103.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C=C2C)C=C1C(=O)[O-]	REAL300000444559	1	42	-2.0	-105.88	371.94	7.18	-98.70
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000444562	0	38	-2.0	-110.22	347.61	6.98	-103.24
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000444564	0	37	-2.0	-103.82	340.14	5.08	-98.74
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC=N2)C=C1C	REAL300000444565	1	42	-2.0	-98.11	372.18	6.76	-91.35
CC1=CC(N2C=CC=N2)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000444566	0	35	-2.0	-94.34	344.09	5.93	-88.41
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=N3)C=C2C)C=C(C(=O)[O-])O1	REAL300000444569	0	41	-2.0	-100.16	364.11	6.88	-93.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCCC3=O)=C2)C=C1	REAL300000444570	1	41	-2.0	-111.22	369.19	6.15	-105.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCCC3=O)=C2)=C1	REAL300000444571	1	41	-2.0	-124.63	369.20	6.14	-118.49
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCCC3=O)=C2)=C1	REAL300000444572	0	38	-2.0	-117.50	362.38	5.16	-112.34
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCCC3=O)=C2)C=C1C(=O)[O-]	REAL300000444573	0	42	-2.0	-122.76	375.84	5.49	-117.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCCC3=O)=C2)=CS1	REAL300000444574	0	38	-2.0	-120.03	360.84	5.17	-114.86
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCCC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000444575	0	41	-2.0	-116.45	372.20	5.28	-111.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCCC3=O)=C2)S1	REAL300000444576	0	38	-2.0	-112.18	361.46	5.26	-106.92
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCCC3=O)=C2)=C1	REAL300000444577	0	40	-2.0	-120.24	366.18	4.19	-116.05
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1	REAL300000444578	1	40	-2.0	-88.04	358.04	3.44	-84.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC=C1F	REAL300000444579	1	33	-2.0	-104.01	306.08	4.89	-99.12
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCO2	REAL300000444580	0	41	-2.0	-105.63	361.18	5.93	-99.70
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444581	0	33	-2.0	-101.70	317.97	5.56	-96.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1	REAL300000444582	1	33	-2.0	-94.25	301.55	4.86	-89.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444583	1	33	-2.0	-106.54	301.55	4.85	-101.69
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCO2	REAL300000444584	0	37	-2.0	-112.44	329.69	4.64	-107.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC=C1Br	REAL300000444585	1	33	-2.0	-102.08	317.80	5.34	-96.74
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1	REAL300000444586	1	37	-2.0	-94.01	333.03	6.15	-87.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1C(=O)[O-]	REAL300000444587	1	36	-2.0	-107.77	317.57	5.38	-102.39
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444588	0	33	-2.0	-102.39	314.62	5.42	-96.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC=C1Cl	REAL300000444589	1	33	-2.0	-102.42	314.06	5.25	-97.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C(Cl)C=C1Cl	REAL300000444590	0	33	-2.0	-97.80	327.14	5.80	-92.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1C	REAL300000444591	1	39	-2.0	-110.09	334.22	6.20	-103.89
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444592	0	33	-2.0	-104.16	307.03	4.91	-99.25
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1	REAL300000444593	1	39	-2.0	-93.36	345.14	6.45	-86.91
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444594	0	30	-2.0	-101.16	294.73	3.87	-97.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCO2	REAL300000444595	1	36	-2.0	-107.87	316.98	5.64	-102.23
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1	REAL300000444596	1	37	-2.0	-92.65	332.65	5.14	-87.51
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1C(=O)[O-]	REAL300000444597	0	34	-2.0	-105.30	308.20	4.20	-101.10
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444599	0	33	-2.0	-97.09	310.66	4.53	-92.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1C(=O)[O-]	REAL300000444600	1	39	-2.0	-109.16	333.01	6.17	-102.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CS1	REAL300000444601	0	30	-2.0	-102.58	293.21	3.89	-98.69
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC(C(=O)[O-])=C1OC	REAL300000444602	1	41	-2.0	-107.30	359.87	4.67	-102.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1C(=O)[O-]	REAL300000444603	1	37	-2.0	-112.45	328.85	4.92	-107.53
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444604	1	43	-2.0	-111.38	356.81	7.48	-103.90
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCO2	REAL300000444605	1	42	-2.0	-109.64	355.47	6.86	-102.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCO2	REAL300000444606	1	39	-2.0	-105.68	331.71	6.57	-99.11
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCO2	REAL300000444607	0	40	-2.0	-112.93	351.99	5.41	-107.52
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2CCO3)=CC(C(=O)[O-])=C1	REAL300000444608	0	36	-2.0	-109.35	330.25	5.33	-104.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC(C(=O)[O-])=C1	REAL300000444608	1	35	-3.0	-181.66	329.95	5.42	-176.24
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444609	1	40	-2.0	-111.70	345.82	6.75	-104.95
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C(C(=O)[O-])O1	REAL300000444610	0	33	-2.0	-100.55	304.58	3.99	-96.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC2=C1OCCO2	REAL300000444611	1	39	-2.0	-111.45	343.73	4.63	-106.82
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444612	0	37	-2.0	-107.48	330.47	3.94	-103.54
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3CCO4)C=C2C1	REAL300000444613	1	41	-2.0	-93.93	355.19	5.48	-88.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC(Cl)=C1Cl	REAL300000444614	1	33	-2.0	-96.22	329.25	5.71	-90.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C(Cl)C=C1F	REAL300000444615	0	33	-2.0	-98.83	319.17	5.44	-93.39
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1Cl	REAL300000444616	1	37	-2.0	-91.16	348.66	5.67	-85.49
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC=C1OCC(=O)[O-]	REAL300000444617	1	40	-2.0	-93.19	352.71	5.84	-87.35
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1F	REAL300000444618	1	43	-2.0	-92.03	381.30	6.10	-85.93
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCO2	REAL300000444619	1	36	-2.0	-98.32	322.27	5.67	-92.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC=C1OCCCC(=O)[O-]	REAL300000444620	1	46	-2.0	-93.37	395.16	6.77	-86.60
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1F	REAL300000444621	1	37	-2.0	-92.09	338.86	5.19	-86.90
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1C(=O)[O-]	REAL300000444622	1	40	-2.0	-113.16	350.70	5.83	-107.33
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C(C(=O)[O-])S1	REAL300000444623	0	33	-2.0	-104.14	311.22	4.74	-99.40
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444624	0	33	-2.0	-96.16	329.77	5.88	-90.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C(Cl)=C1	REAL300000444625	0	33	-2.0	-91.70	314.62	5.42	-86.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C(Br)=C1	REAL300000444626	0	33	-2.0	-91.12	317.97	5.55	-85.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1F	REAL300000444627	1	33	-2.0	-93.81	306.09	4.90	-88.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)S1	REAL300000444628	0	30	-2.0	-95.96	293.83	3.98	-91.98
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444629	1	33	-2.0	-97.78	307.98	4.92	-92.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1F	REAL300000444630	0	36	-2.0	-105.56	327.31	5.56	-100.00
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C(Cl)C=C1C(=O)[O-]	REAL300000444631	0	37	-2.0	-96.39	341.88	5.47	-90.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C(F)=C1	REAL300000444632	0	33	-2.0	-93.69	307.04	4.93	-88.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1Cl	REAL300000444633	1	33	-2.0	-91.85	314.05	5.26	-86.59
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCO2	REAL300000444634	1	36	-2.0	-100.06	331.01	6.06	-94.00
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1	REAL300000444635	1	41	-2.0	-90.85	365.31	6.27	-84.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1Br	REAL300000444636	1	33	-2.0	-91.43	317.79	5.35	-86.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC(F)=C1F	REAL300000444637	1	33	-2.0	-95.61	312.40	4.95	-90.66
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444638	0	35	-2.0	-91.62	329.77	5.52	-86.10
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444639	0	34	-2.0	-106.79	311.26	2.57	-104.22
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC3=C2CCO3)=C1	REAL300000444639	1	34	-2.0	-104.64	309.75	3.38	-101.26
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1	REAL300000444640	1	36	-2.0	-98.08	323.74	5.64	-92.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC(Cl)=C1F	REAL300000444641	1	33	-2.0	-97.03	322.28	5.39	-91.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCO2	REAL300000444642	1	36	-2.0	-102.89	311.64	5.48	-97.41
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC(C(=O)[O-])=C1F	REAL300000444643	1	36	-2.0	-105.40	326.41	5.51	-99.89
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCO2	REAL300000444644	1	36	-2.0	-94.35	316.99	5.63	-88.72
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC(C(=O)[O-])=C1C	REAL300000444645	1	39	-2.0	-110.04	335.01	5.94	-104.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC=C1[N+](=O)[O-]	REAL300000444646	0	35	-2.0	-104.72	328.10	5.95	-98.77
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444647	0	33	-2.0	-95.72	313.31	4.98	-90.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C(C)=C1C(=O)[O-]	REAL300000444648	1	39	-2.0	-107.02	336.05	6.23	-100.79
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1C(=O)[O-]	REAL300000444649	0	36	-2.0	-106.46	326.86	5.55	-100.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1Cl	REAL300000444650	0	36	-2.0	-104.18	333.31	5.99	-98.19
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444651	0	36	-2.0	-111.30	326.58	5.55	-105.75
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1C(=O)[O-]	REAL300000444652	1	39	-2.0	-108.50	335.49	6.04	-102.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1CC(=O)[O-]	REAL300000444653	1	40	-2.0	-108.45	352.02	4.98	-103.47
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCO2	REAL300000444654	1	36	-2.0	-95.81	327.81	6.03	-89.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1C(F)(F)F	REAL300000444655	1	36	-2.0	-90.83	331.66	5.67	-85.16
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC(C(=O)[O-])=C1Cl	REAL300000444656	1	36	-2.0	-104.21	332.80	5.81	-98.40
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444657	1	33	-2.0	-99.69	322.87	5.47	-94.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1C(=O)[O-]	REAL300000444658	0	37	-2.0	-106.57	329.57	5.08	-101.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C(F)C(Cl)=C1F	REAL300000444660	0	33	-2.0	-94.47	327.15	5.41	-89.06
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1C(=O)[O-]	REAL300000444661	1	36	-2.0	-99.97	331.44	5.82	-94.15
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C(C(=O)[O-])S1	REAL300000444662	0	42	-2.0	-103.87	350.99	6.99	-96.88
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1C(=O)[O-]	REAL300000444663	0	37	-2.0	-107.74	341.90	5.49	-102.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC=C1C(=O)[O-]	REAL300000444664	1	36	-2.0	-94.38	317.56	5.40	-88.98
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C([N+](=O)[O-])=C1	REAL300000444665	0	38	-2.0	-99.18	344.81	7.04	-92.14
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCO2	REAL300000444666	1	36	-2.0	-105.24	321.51	5.67	-99.57
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1[N+](=O)[O-]	REAL300000444667	0	35	-2.0	-113.34	325.30	6.71	-106.63
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1F	REAL300000444668	0	33	-2.0	-110.50	305.21	4.88	-105.62
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C1C(=O)[O-]	REAL300000444669	1	36	-2.0	-98.27	322.74	5.43	-92.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=CC2=CC=CC=C21	REAL300000444670	1	39	-2.0	-114.87	342.59	6.98	-107.89
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C1	REAL300000444671	0	32	-2.0	-104.34	297.79	2.97	-101.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCO2	REAL300000444672	0	37	-2.0	-98.48	329.78	4.65	-93.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)=C(Cl)O1	REAL300000444673	0	30	-2.0	-94.40	301.68	3.83	-90.57
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3CCO4)C=C2)CC1	REAL300000444674	1	40	-2.0	-101.11	347.67	6.74	-94.37
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3CCO4)C=C2C1	REAL300000444675	1	40	-2.0	-104.23	346.98	6.74	-97.49
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCO3)C=C(C(=O)[O-])O1	REAL300000444676	0	36	-2.0	-100.33	323.70	4.84	-95.49
CCN(C1=CC=CC(O)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000444705	0	38	-2.0	-112.09	350.91	5.10	-106.99
CCN(C1=CC=CC(O)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000444734	0	36	-2.0	-106.37	325.22	3.08	-103.29
COC(=O)C1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000444804	0	39	-2.0	-116.30	344.89	6.23	-110.07
CC1=CC(F)=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000444825	1	31	-2.0	-100.33	312.60	6.44	-93.89
CC1=CC(F)=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000444826	0	28	-2.0	-95.08	305.78	5.45	-89.63
CC1=CC(F)=C(Br)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000444827	1	32	-2.0	-98.76	319.23	5.78	-92.98
CC1=CC(F)=C(Br)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000444828	0	28	-2.0	-96.41	304.24	5.47	-90.94
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=C(F)C=C2C)C=C(C(=O)[O-])O1	REAL300000444829	0	31	-2.0	-95.29	315.60	5.57	-89.72
CC1=CC(F)=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000444830	0	28	-2.0	-90.15	304.85	5.57	-84.58
CC1=CC(F)=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000444831	0	30	-2.0	-97.96	308.80	4.55	-93.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)=CC=C1F	REAL300000444832	1	37	-2.0	-105.46	352.53	5.62	-99.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)=C1	REAL300000444834	1	37	-2.0	-110.81	347.99	5.59	-105.22
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)=C1	REAL300000444836	0	37	-2.0	-107.08	353.47	5.65	-101.43
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)=C1	REAL300000444837	0	34	-2.0	-104.87	341.17	4.61	-100.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(N2CCOC2=O)=C1	REAL300000444838	1	40	-2.0	-111.70	363.42	6.37	-105.33
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)C=C1C(=O)[O-]	REAL300000444839	1	38	-2.0	-108.96	354.64	4.95	-104.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)=CS1	REAL300000444840	0	34	-2.0	-103.90	339.64	4.62	-99.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000444841	0	37	-2.0	-104.64	351.00	4.73	-99.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)C=C1F	REAL300000444842	1	37	-2.0	-97.50	352.51	5.63	-91.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)S1	REAL300000444843	0	34	-2.0	-98.40	340.26	4.72	-93.68
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)=C1	REAL300000444844	1	37	-2.0	-99.19	354.39	5.66	-93.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)C(F)=C1	REAL300000444845	0	37	-2.0	-97.12	353.45	5.66	-91.46
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)=C1	REAL300000444846	0	38	-2.0	-110.22	357.70	3.30	-106.92
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(F)C(N3CCOC3=O)=C2)=C1	REAL300000444846	1	38	-2.0	-117.18	356.80	4.18	-113.00
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)C=C1	REAL300000444847	1	40	-2.0	-101.53	370.17	6.38	-95.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(N2CCOC2=O)=C1	REAL300000444848	1	40	-2.0	-104.49	358.06	6.23	-98.26
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)C=C1C(=O)[O-]	REAL300000444850	1	41	-2.0	-110.26	376.01	5.80	-104.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)=C1F	REAL300000444852	0	37	-2.0	-111.61	351.65	5.63	-105.98
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)=C1	REAL300000444853	0	36	-2.0	-105.69	344.22	3.72	-101.97
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000444854	0	40	-2.0	-104.64	370.12	5.58	-99.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1N1C(=O)CNC1=O	REAL300000444856	1	40	-2.0	-120.34	366.14	4.15	-116.19
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1N1C(=O)CNC1=O	REAL300000444857	0	37	-2.0	-114.48	359.31	3.08	-111.40
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1N1C(=O)CNC1=O	REAL300000444858	1	41	-2.0	-118.77	372.78	3.52	-115.25
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1N1C(=O)CNC1=O	REAL300000444859	0	37	-2.0	-116.51	357.79	3.10	-113.41
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(N3C(=O)CNC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000444860	0	40	-2.0	-113.93	369.17	3.22	-110.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1N1C(=O)CNC1=O	REAL300000444861	0	37	-2.0	-109.40	358.43	3.22	-106.18
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1N1C(=O)CNC1=O	REAL300000444862	0	39	-2.0	-117.09	363.13	2.12	-114.97
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C	REAL300000444863	0	47	-2.0	-92.00	408.26	3.97	-88.03
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000444864	0	40	-2.0	-108.45	356.34	5.43	-103.02
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1C	REAL300000444865	0	48	-2.0	-110.08	411.43	6.48	-103.60
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000444866	0	40	-2.0	-98.45	351.78	5.39	-93.06
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000444867	0	40	-2.0	-111.02	351.80	5.39	-105.63
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1C	REAL300000444868	0	44	-2.0	-117.25	379.95	5.20	-112.05
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C	REAL300000444869	0	44	-2.0	-98.01	383.25	6.69	-91.32
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000444870	0	43	-2.0	-112.20	367.82	5.92	-106.28
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C	REAL300000444871	0	40	-2.0	-107.19	364.88	5.96	-101.23
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000444872	0	40	-2.0	-106.84	364.31	5.78	-101.06
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C	REAL300000444873	0	46	-2.0	-114.64	384.91	6.72	-107.92
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000444874	0	40	-2.0	-108.71	357.28	5.45	-103.26
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300000444875	0	46	-2.0	-97.43	395.37	6.98	-90.45
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000444876	0	37	-2.0	-105.27	344.99	4.42	-100.85
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000444877	0	43	-2.0	-112.74	367.24	6.18	-106.56
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C	REAL300000444878	0	44	-2.0	-96.68	382.87	5.67	-91.01
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000444879	0	41	-2.0	-109.42	358.45	4.75	-104.67
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1C	REAL300000444880	0	44	-2.0	-113.31	375.58	4.22	-109.09
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000444881	0	40	-2.0	-101.30	360.91	5.07	-96.23
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1C	REAL300000444882	0	46	-2.0	-113.97	383.25	6.71	-107.26
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000444883	0	37	-2.0	-106.70	343.45	4.43	-102.27
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1C	REAL300000444884	0	48	-2.0	-111.37	410.13	5.22	-106.15
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1C	REAL300000444885	0	44	-2.0	-116.88	379.09	5.46	-111.42
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C	REAL300000444886	0	50	-2.0	-116.52	407.04	8.02	-108.50
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C	REAL300000444887	0	49	-2.0	-114.82	405.70	7.41	-107.41
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C(C)CC)N=C1	REAL300000444888	0	46	-2.0	-110.97	381.92	7.11	-103.86
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1C	REAL300000444889	0	47	-2.0	-116.93	402.24	5.96	-110.97
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000444890	0	42	-3.0	-185.71	380.21	5.96	-179.75
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C	REAL300000444891	0	47	-2.0	-116.76	396.05	7.29	-109.47
CCC(C)N1N=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000444892	0	40	-2.0	-105.28	354.81	4.54	-100.74
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C	REAL300000444893	0	46	-2.0	-115.91	393.98	5.17	-110.74
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C	REAL300000444894	0	44	-2.0	-111.24	380.72	4.49	-106.75
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1C	REAL300000444895	0	48	-2.0	-97.40	404.72	5.99	-91.41
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1C	REAL300000444896	0	40	-2.0	-103.87	369.41	5.97	-97.90
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1C	REAL300000444897	0	47	-2.0	-97.20	402.95	6.38	-90.82
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C	REAL300000444898	0	43	-2.0	-102.96	372.51	6.21	-96.75
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C	REAL300000444899	0	44	-2.0	-96.17	389.10	5.73	-90.44
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C(C)CC)N=C2)C=C1C(=O)[O-]	REAL300000444900	0	47	-2.0	-117.63	400.94	6.37	-111.26
CCC(C)N1N=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000444901	0	40	-2.0	-109.03	360.43	5.29	-103.74
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000444902	0	40	-2.0	-95.91	364.86	5.96	-89.95
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000444903	0	40	-2.0	-97.87	356.34	5.43	-92.44
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000444904	0	37	-2.0	-100.08	344.06	4.51	-95.57
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000444905	0	40	-2.0	-101.89	358.22	5.45	-96.44
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C	REAL300000444906	0	43	-2.0	-110.22	377.55	6.09	-104.13
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000444907	0	40	-2.0	-97.68	357.27	5.47	-92.21
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000444908	0	40	-2.0	-95.93	364.31	5.79	-90.14
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1C	REAL300000444909	0	43	-2.0	-104.76	381.24	6.60	-98.16
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C	REAL300000444910	0	48	-2.0	-94.73	415.54	6.81	-87.92
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000444911	0	40	-2.0	-99.93	362.62	5.49	-94.44
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C	REAL300000444912	0	42	-2.0	-95.81	379.99	6.06	-89.75
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000444913	0	41	-2.0	-111.88	361.52	3.11	-108.77
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000444914	0	43	-2.0	-102.43	373.98	6.17	-96.26
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000444915	0	40	-2.0	-101.40	372.51	5.93	-95.47
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000444916	0	43	-2.0	-106.45	361.84	6.02	-100.43
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000444917	0	43	-2.0	-109.87	376.64	6.05	-103.82
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1C	REAL300000444918	0	43	-2.0	-98.70	367.21	6.17	-92.53
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000444919	0	46	-2.0	-114.26	384.68	6.45	-107.81
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300000444920	0	42	-2.0	-109.00	378.36	6.48	-102.52
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C	REAL300000444921	0	40	-2.0	-100.12	363.54	5.52	-94.60
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C	REAL300000444922	0	46	-2.0	-110.59	386.29	6.77	-103.82
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C	REAL300000444923	0	43	-2.0	-111.04	377.12	6.09	-104.95
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1C	REAL300000444924	0	43	-2.0	-109.05	383.59	6.51	-102.54
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C	REAL300000444925	0	43	-2.0	-115.04	376.83	6.09	-108.95
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C(C)CC)N=C2)C=C1C(=O)[O-]	REAL300000444926	0	46	-2.0	-112.96	386.13	6.57	-106.39
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1C	REAL300000444927	0	47	-2.0	-112.65	402.27	5.52	-107.13
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1C	REAL300000444928	0	43	-2.0	-99.94	378.06	6.58	-93.36
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000444929	0	43	-2.0	-108.59	383.03	6.34	-102.25
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1C	REAL300000444930	0	44	-2.0	-110.69	379.82	5.62	-105.07
CCC(C)N1N=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1C	REAL300000444931	0	52	-2.0	-110.43	416.95	8.26	-102.17
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000444932	0	43	-2.0	-104.45	381.67	6.35	-98.10
CCC(C)N1N=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1C	REAL300000444933	0	49	-2.0	-108.49	401.24	7.52	-100.97
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000444934	0	43	-2.0	-98.55	367.81	5.93	-92.62
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1C	REAL300000444935	0	45	-2.0	-102.81	395.06	7.59	-95.22
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1C	REAL300000444936	0	43	-2.0	-110.04	371.76	6.21	-103.83
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C	REAL300000444937	0	42	-2.0	-116.96	375.53	7.25	-109.71
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000444938	0	40	-2.0	-114.16	355.44	5.41	-108.75
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000444939	0	43	-2.0	-102.66	372.97	5.96	-96.70
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300000444940	0	46	-2.0	-119.27	392.84	7.52	-111.75
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000444941	0	39	-2.0	-108.57	348.02	3.52	-105.05
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1C	REAL300000444942	0	44	-2.0	-102.78	380.01	5.19	-97.59
CCC(C)N1N=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C	REAL300000444943	0	37	-2.0	-98.91	351.91	4.39	-94.52
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C	REAL300000444944	0	47	-2.0	-105.40	397.93	7.27	-98.13
CCC(C)N1N=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C	REAL300000444945	0	47	-2.0	-106.93	395.89	7.26	-99.67
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(C(C)CC)N=C2)C=C(C(=O)[O-])O1	REAL300000444946	0	43	-2.0	-105.28	373.93	5.39	-99.89
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=CC=C1C	REAL300000444947	0	44	-2.0	-100.20	386.26	8.22	-91.98
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1C	REAL300000444948	0	44	-2.0	-113.33	386.96	8.22	-105.11
CCC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1C	REAL300000444949	0	47	-2.0	-114.30	401.93	8.72	-105.58
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C1=CC=CC=C1C	REAL300000444950	0	41	-2.0	-107.19	379.45	7.24	-99.95
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NN1C1=CC=CC=C1C	REAL300000444951	0	47	-2.0	-114.60	402.58	9.01	-105.59
CCC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1C	REAL300000444952	0	45	-2.0	-111.58	393.59	7.58	-104.00
CCC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1C	REAL300000444953	0	41	-2.0	-108.80	378.60	7.26	-101.54
CCC1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1C	REAL300000444954	0	44	-2.0	-107.19	390.26	7.38	-99.81
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1=CC=CC=C1C	REAL300000444955	0	41	-2.0	-101.85	378.52	7.33	-94.52
CCC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1C1=CC=CC=C1C	REAL300000444956	0	47	-2.0	-104.15	409.09	9.00	-95.15
CCC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NN1C1=CC=CC=C1C	REAL300000444957	0	47	-2.0	-108.43	396.25	8.84	-99.59
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NN1C1=CC=CC=C1C	REAL300000444958	0	47	-2.0	-100.59	402.31	9.00	-91.59
CCC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C1=CC=CC=C1C	REAL300000444959	0	47	-2.0	-100.33	401.91	8.74	-91.59
CCC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1C1=CC=CC=C1C	REAL300000444960	0	43	-2.0	-110.48	382.49	6.34	-104.14
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000444961	0	34	-2.0	-100.78	335.17	3.67	-97.11
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000444962	0	34	-2.0	-91.17	329.84	3.58	-87.59
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000444963	0	34	-2.0	-103.02	329.86	3.57	-99.45
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000444964	0	37	-2.0	-104.08	346.66	4.18	-99.90
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000444965	0	34	-2.0	-100.27	336.10	3.71	-96.56
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000444966	0	31	-2.0	-97.49	323.83	2.68	-94.81
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000444967	0	37	-2.0	-104.13	346.07	4.44	-99.69
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000444968	0	35	-2.0	-101.44	337.29	3.01	-98.43
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000444969	0	34	-2.0	-93.74	339.75	3.33	-90.41
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000444970	0	31	-2.0	-98.95	322.29	2.69	-96.26
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000444971	0	34	-2.0	-97.38	332.86	2.72	-94.66
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000444972	0	34	-2.0	-100.58	339.55	3.46	-97.12
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000444973	0	34	-2.0	-90.83	335.17	3.68	-87.15
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000444974	0	31	-2.0	-92.72	322.12	2.70	-90.02
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000444975	0	34	-2.0	-94.16	336.27	3.64	-90.52
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000444976	0	34	-2.0	-90.41	336.10	3.72	-86.69
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000444977	0	34	-3.0	-196.19	336.78	2.25	-193.94
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000444978	0	37	-2.0	-94.64	352.03	4.35	-90.29
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000444979	0	37	-2.0	-99.14	339.89	4.21	-94.93
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000444980	0	37	-2.0	-91.43	346.05	4.42	-87.01
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C=C2OC)C=C1C(=O)[O-]	REAL300000444981	0	38	-2.0	-102.60	358.65	3.87	-98.73
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000444982	0	37	-2.0	-91.15	346.64	4.19	-86.96
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000444983	0	34	-2.0	-106.82	333.49	3.60	-103.22
COC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000444984	0	33	-2.0	-100.32	326.84	1.64	-98.68
CCC1=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C=C2OC)C=C(C(=O)[O-])O1	REAL300000444985	0	37	-2.0	-97.29	352.77	3.65	-93.64
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CS1	REAL300000444986	1	37	-2.0	-113.15	352.15	6.97	-106.18
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300000444987	1	37	-2.0	-102.44	347.59	6.95	-95.49
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300000444988	0	37	-2.0	-116.34	347.62	6.94	-109.40
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CS1	REAL300000444989	1	40	-2.0	-117.44	363.63	7.47	-109.97
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CS1	REAL300000444990	0	37	-2.0	-114.05	353.09	7.00	-107.05
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CS1	REAL300000444991	0	34	-2.0	-110.25	340.80	5.95	-104.30
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CS1	REAL300000444992	1	40	-2.0	-116.52	363.05	7.72	-108.80
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CS1	REAL300000444993	0	38	-2.0	-114.11	354.27	6.29	-107.82
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CS1	REAL300000444994	0	37	-2.0	-105.85	356.73	6.62	-99.23
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CS1	REAL300000444995	0	34	-2.0	-111.61	339.27	5.97	-105.64
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CS1	REAL300000444996	0	37	-2.0	-109.15	350.63	6.07	-103.08
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CS1	REAL300000444997	0	37	-2.0	-112.66	356.24	6.83	-105.83
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CS1	REAL300000444998	0	37	-2.0	-101.68	352.15	6.98	-94.70
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CS1	REAL300000444999	0	34	-2.0	-104.59	339.87	6.07	-98.52
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CS1	REAL300000445000	0	37	-2.0	-106.77	354.02	7.01	-99.76
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CS1	REAL300000445001	0	37	-2.0	-102.20	353.08	7.01	-95.19
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CS1	REAL300000445002	0	38	-2.0	-115.11	357.33	4.64	-110.47
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CS1	REAL300000445003	0	40	-2.0	-106.60	369.78	7.72	-98.88
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CS1	REAL300000445004	1	40	-2.0	-111.02	357.66	7.57	-103.45
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CS1	REAL300000445005	1	40	-2.0	-101.84	363.03	7.72	-94.12
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CSC(C)=N2)C=C1C(=O)[O-]	REAL300000445006	0	41	-2.0	-115.51	375.64	7.15	-108.36
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CS1	REAL300000445007	1	40	-2.0	-102.66	363.62	7.48	-95.18
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CS1	REAL300000445008	0	37	-2.0	-119.68	351.24	6.97	-112.71
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CS1	REAL300000445009	0	36	-2.0	-114.48	343.83	5.06	-109.42
CC1=NC(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CS1	REAL300000445010	0	34	-2.0	-103.21	347.73	5.91	-97.30
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CSC(C)=N2)C=C(C(=O)[O-])O1	REAL300000445011	0	40	-2.0	-107.83	362.55	7.14	-100.69
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000445012	1	35	-2.0	-97.97	337.13	5.43	-92.54
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1C(F)(F)F	REAL300000445013	1	35	-2.0	-88.44	332.58	5.41	-83.03
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000445014	1	35	-2.0	-100.15	332.60	5.39	-94.76
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000445015	1	38	-2.0	-102.41	352.67	6.04	-96.37
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C(F)(F)F	REAL300000445016	0	35	-2.0	-97.34	338.08	5.46	-91.88
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C(F)(F)F	REAL300000445017	0	32	-2.0	-94.69	325.79	4.41	-90.28
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1C(F)(F)F	REAL300000445018	1	38	-2.0	-101.37	348.03	6.18	-95.19
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000445019	0	36	-2.0	-98.65	339.25	4.75	-93.90
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1C(F)(F)F	REAL300000445020	0	35	-2.0	-90.91	341.72	5.08	-85.83
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000445021	0	32	-2.0	-96.08	324.25	4.43	-91.65
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000445022	0	35	-2.0	-94.77	335.61	4.53	-90.24
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000445023	0	35	-2.0	-98.01	341.20	5.29	-92.72
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(F)(F)F	REAL300000445024	1	35	-2.0	-88.16	337.13	5.44	-82.72
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C(F)(F)F	REAL300000445025	0	32	-2.0	-89.85	324.87	4.53	-85.32
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000445026	1	35	-2.0	-91.30	339.00	5.46	-85.84
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C(F)(F)F	REAL300000445027	0	35	-2.0	-87.61	338.06	5.47	-82.14
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C(F)(F)F	REAL300000445028	0	36	-2.0	-100.36	342.32	3.10	-97.26
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C(F)(F)F	REAL300000445028	1	36	-2.0	-99.87	331.33	4.00	-95.87
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C(F)(F)F	REAL300000445029	1	38	-2.0	-91.83	354.77	6.18	-85.65
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C(F)(F)F	REAL300000445030	1	38	-2.0	-96.49	342.15	6.07	-90.42
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1C(F)(F)F	REAL300000445031	1	38	-2.0	-88.80	348.01	6.17	-82.63
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(OC)=C2)C=C1C(=O)[O-]	REAL300000445032	0	39	-2.0	-99.83	360.61	5.61	-94.22
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1C(F)(F)F	REAL300000445033	1	38	-2.0	-88.47	348.60	5.94	-82.53
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C(F)(F)F	REAL300000445034	0	35	-2.0	-103.89	336.26	5.43	-98.46
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C(F)(F)F	REAL300000445035	0	34	-2.0	-97.46	329.59	3.45	-94.01
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000445036	0	32	-2.0	-88.55	332.75	4.37	-84.18
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000445037	0	38	-2.0	-94.67	354.73	5.38	-89.29
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1)OCO2	REAL300000445038	0	37	-2.0	-109.06	348.53	4.56	-104.50
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)OCO2	REAL300000445039	0	37	-2.0	-99.41	343.99	4.54	-94.87
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)OCO2	REAL300000445040	0	37	-2.0	-111.66	344.00	4.53	-107.13
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)OCO2	REAL300000445041	0	40	-2.0	-112.81	360.02	5.07	-107.74
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)OCO2	REAL300000445042	0	37	-2.0	-108.39	349.47	4.60	-103.79
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)OCO2	REAL300000445043	0	34	-2.0	-106.04	337.19	3.55	-102.49
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)OCO2	REAL300000445044	0	40	-2.0	-111.40	359.43	5.33	-106.07
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)OCO2	REAL300000445045	0	38	-2.0	-110.46	350.65	3.88	-106.58
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1)OCO2	REAL300000445046	0	37	-2.0	-102.52	353.11	4.22	-98.30
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)OCO2	REAL300000445047	0	34	-2.0	-107.40	335.65	3.57	-103.83
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)OCO2	REAL300000445048	0	37	-2.0	-105.04	347.00	3.68	-101.36
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1)OCO2	REAL300000445049	0	37	-2.0	-107.89	353.69	4.43	-103.46
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)OCO2	REAL300000445050	0	37	-2.0	-98.87	348.51	4.57	-94.30
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)OCO2	REAL300000445051	0	34	-2.0	-101.29	336.26	3.66	-97.63
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)OCO2	REAL300000445052	0	37	-2.0	-102.62	350.40	4.60	-98.02
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)OCO2	REAL300000445053	0	37	-2.0	-98.98	349.46	4.61	-94.37
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)OCO2	REAL300000445054	0	38	-2.0	-109.77	353.72	2.24	-107.53
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)OCO2	REAL300000445055	0	40	-2.0	-102.40	366.18	5.32	-97.08
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)OCO2	REAL300000445056	0	40	-2.0	-108.88	354.04	5.17	-103.71
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)OCO2	REAL300000445057	0	40	-2.0	-99.24	359.41	5.32	-93.92
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)OC)OCO3)C=C1C(=O)[O-]	REAL300000445058	0	41	-2.0	-111.42	371.95	4.75	-106.67
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)OCO2	REAL300000445059	0	40	-2.0	-101.19	364.05	5.18	-96.01
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)OCO2	REAL300000445060	0	37	-2.0	-117.08	347.64	4.56	-112.52
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)OCO2	REAL300000445061	0	36	-2.0	-109.89	340.21	2.66	-107.23
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C(=O)OC)OCO3)C=C(C(=O)[O-])O1	REAL300000445062	0	40	-2.0	-104.01	362.40	4.42	-99.59
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000445063	1	40	-2.0	-115.27	359.31	7.45	-107.82
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000445065	1	40	-2.0	-118.52	354.77	7.42	-111.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CN=C2)=CC=C1C	REAL300000445066	0	44	-2.0	-125.35	382.91	7.22	-118.13
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000445067	1	44	-2.0	-103.88	386.22	8.72	-95.16
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000445069	1	46	-2.0	-122.28	387.87	8.75	-113.53
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000445070	0	40	-2.0	-116.83	360.24	7.50	-109.33
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000445071	1	46	-2.0	-103.51	398.33	9.01	-94.50
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000445072	0	37	-2.0	-112.47	347.95	6.45	-106.02
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000445073	1	43	-2.0	-120.27	370.20	8.22	-112.05
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000445075	1	41	-2.0	-116.59	361.41	6.78	-109.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C3=CC=CN=C3)=CC=C2C)=C1	REAL300000445077	0	40	-2.0	-108.37	363.88	7.11	-101.26
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000445079	0	37	-2.0	-113.83	346.42	6.46	-107.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CN=C2)=CC=C1C	REAL300000445081	1	46	-2.0	-118.46	384.30	9.14	-109.32
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CN=C3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000445082	0	40	-2.0	-112.38	357.78	6.56	-105.82
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C3=CC=CN=C3)=CC=C2C)=C1	REAL300000445083	0	44	-2.0	-119.07	383.75	6.52	-112.55
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CN=C3)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000445084	1	40	-2.0	-116.01	364.46	7.32	-108.69
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000445085	1	40	-2.0	-104.10	359.29	7.45	-96.65
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000445086	0	37	-2.0	-107.00	347.02	6.55	-100.45
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000445087	1	40	-2.0	-108.91	361.17	7.49	-101.42
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000445088	0	40	-2.0	-104.50	360.23	7.49	-97.01
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000445089	0	41	-2.0	-119.58	364.48	5.14	-114.44
CC1=CC=C(C2=CC=CN=C2)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000445089	1	41	-2.0	-127.88	353.93	5.20	-122.68
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000445090	1	43	-2.0	-109.53	376.93	8.21	-101.32
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000445091	1	43	-2.0	-113.56	364.80	8.06	-105.50
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CN=C3)=CC=C2C)C=C1C(=O)[O-]	REAL300000445095	1	46	-2.0	-120.70	388.71	8.60	-112.10
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=CC=CN=C3)=CC=C2C)C=C1C(=O)[O-]	REAL300000445096	1	44	-2.0	-117.88	382.79	7.64	-110.24
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000445098	0	40	-2.0	-121.75	358.40	7.46	-114.29
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000445099	0	39	-2.0	-116.47	350.97	5.55	-110.92
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C2=CC=CN=C2)=CC=C1C	REAL300000445100	0	44	-2.0	-109.64	382.97	7.22	-102.42
CC1=CC=C(C2=CC=CN=C2)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000445101	0	37	-2.0	-105.72	354.87	6.41	-99.31
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CN=C3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000445102	0	43	-2.0	-112.33	376.89	7.42	-104.91
CCC1=CC=C(N(CC(C)C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000445136	0	47	-2.0	-108.49	389.07	8.97	-99.52
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1N1C(=O)CNC1=O	REAL300000445156	1	40	-2.0	-105.81	364.67	4.26	-101.55
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1N1C(=O)CNC1=O	REAL300000445157	1	40	-2.0	-118.21	364.69	4.16	-114.05
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC=C1N1C(=O)CNC1=O	REAL300000445158	0	37	-2.0	-112.51	357.83	3.16	-109.35
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC=C1N1C(=O)CNC1=O	REAL300000445159	0	41	-2.0	-116.60	371.33	3.61	-112.99
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1N1C(=O)CNC1=O	REAL300000445160	0	37	-2.0	-114.41	356.35	3.19	-111.22
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CNC3=O)=C2C)C=C(C(=O)[O-])O1	REAL300000445161	0	40	-2.0	-111.75	367.66	3.28	-108.47
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC=C1N1C(=O)CNC1=O	REAL300000445162	0	37	-2.0	-107.59	356.91	3.27	-104.32
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1N1C(=O)CNC1=O	REAL300000445163	0	39	-2.0	-116.50	360.87	2.27	-114.23
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000445166	1	43	-2.0	-109.13	356.06	7.79	-101.34
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000445167	0	47	-2.0	-114.90	384.20	7.59	-107.31
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000445170	0	43	-2.0	-104.71	369.13	8.37	-96.34
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000445171	1	43	-2.0	-104.89	368.56	8.19	-96.70
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000445173	0	43	-2.0	-106.51	361.53	7.86	-98.65
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000445174	1	49	-2.0	-95.51	399.62	9.38	-86.13
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000445175	0	40	-2.0	-103.23	349.24	6.81	-96.42
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000445178	1	44	-2.0	-107.90	362.70	7.14	-100.76
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000445180	0	43	-2.0	-99.66	365.17	7.47	-92.19
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000445182	1	40	-2.0	-105.13	347.71	6.83	-98.30
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000445184	1	52	-2.0	-113.11	409.96	9.80	-103.31
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000445186	0	50	-2.0	-115.43	406.49	8.36	-107.07
CCC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000445187	0	46	-2.0	-109.06	391.01	8.23	-100.83
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000445187	1	45	-3.0	-185.28	384.46	8.36	-176.92
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000445189	0	43	-2.0	-103.27	359.07	6.93	-96.34
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000445190	0	47	-2.0	-110.70	385.03	6.88	-103.82
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000445191	0	43	-2.0	-101.65	373.65	8.38	-93.27
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000445193	1	46	-2.0	-100.95	376.77	8.61	-92.34
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000445194	1	47	-2.0	-94.12	393.35	8.13	-85.99
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000445196	1	43	-2.0	-106.42	364.66	7.68	-98.74
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000445197	0	43	-2.0	-94.15	369.11	8.36	-85.79
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000445198	1	43	-2.0	-96.00	360.59	7.83	-88.17
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000445199	0	40	-2.0	-97.97	348.32	6.92	-91.05
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000445200	1	43	-2.0	-100.18	362.46	7.86	-92.32
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000445201	0	46	-2.0	-108.53	381.83	8.50	-100.03
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000445202	0	43	-2.0	-96.11	361.52	7.87	-88.24
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000445204	1	46	-2.0	-102.69	385.50	9.00	-93.69
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000445205	1	43	-2.0	-98.10	366.89	7.89	-90.21
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000445206	1	45	-2.0	-94.12	384.25	8.46	-85.66
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000445207	0	44	-2.0	-109.03	365.77	5.50	-103.53
CCC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000445207	1	44	-2.0	-106.23	364.96	6.29	-99.94
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000445208	1	46	-2.0	-100.47	378.22	8.58	-91.89
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000445209	1	43	-2.0	-99.63	376.77	8.33	-91.30
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000445214	1	45	-2.0	-107.31	382.63	8.88	-98.43
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000445215	0	43	-2.0	-98.38	367.80	7.92	-90.46
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000445217	0	46	-2.0	-107.72	377.54	8.39	-99.33
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000445218	0	46	-2.0	-107.09	387.80	8.92	-98.17
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000445219	0	46	-2.0	-114.44	381.07	8.49	-105.95
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000445222	1	46	-2.0	-99.73	386.07	9.07	-90.66
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000445223	1	46	-2.0	-107.13	387.27	8.75	-98.38
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)CC)C=C2)C=C1C(=O)[O-]	REAL300000445224	1	47	-2.0	-109.22	384.08	8.02	-101.20
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000445225	1	46	-2.0	-103.98	389.84	8.85	-95.13
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000445228	0	45	-2.0	-116.70	379.81	9.65	-107.05
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000445229	0	43	-2.0	-113.65	359.71	7.82	-105.83
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000445230	1	46	-2.0	-102.08	381.02	8.46	-93.62
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000445231	1	49	-2.0	-118.06	397.09	9.92	-108.14
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000445232	0	42	-2.0	-107.34	352.26	5.91	-101.43
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000445233	0	47	-2.0	-101.15	384.26	7.59	-93.56
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000445234	0	40	-2.0	-96.95	356.21	6.77	-90.18
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000445235	1	50	-2.0	-103.45	402.18	9.67	-93.78
CCC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000445236	1	50	-2.0	-106.26	401.51	9.67	-96.59
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)CC)C=C2)C=C(C(=O)[O-])O1	REAL300000445237	0	46	-2.0	-102.77	378.18	7.78	-94.99
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000445240	1	36	-2.0	-103.68	329.03	5.47	-98.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CC(=O)N2C	REAL300000445241	0	40	-2.0	-109.02	357.17	5.26	-103.76
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C21	REAL300000445242	1	40	-2.0	-91.53	360.00	6.74	-84.79
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C21	REAL300000445244	0	36	-2.0	-99.52	342.09	6.04	-93.48
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000445245	1	36	-2.0	-99.69	341.07	5.84	-93.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)=C1C	REAL300000445246	1	42	-2.0	-107.00	361.69	6.81	-100.19
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C21	REAL300000445247	0	36	-2.0	-100.93	334.50	5.53	-95.40
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300000445248	1	42	-2.0	-90.67	372.12	7.02	-83.65
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000445249	0	33	-2.0	-98.23	322.21	4.49	-93.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CC(=O)N2C	REAL300000445250	1	39	-2.0	-104.91	344.46	6.25	-98.66
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)C=C1C(=O)[O-]	REAL300000445252	1	37	-2.0	-102.22	335.21	4.79	-97.43
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)=C1	REAL300000445254	0	36	-2.0	-94.50	338.13	5.15	-89.35
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000445256	0	33	-2.0	-99.60	320.21	4.48	-95.12
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CC(=O)N2C	REAL300000445258	1	45	-2.0	-106.85	382.92	7.47	-99.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CC(=O)N2C	REAL300000445259	1	42	-2.0	-103.46	359.19	7.19	-96.27
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CC(=O)N2C	REAL300000445260	0	43	-2.0	-108.74	379.45	6.03	-102.71
CN1C(=O)CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C21	REAL300000445261	0	39	-2.0	-110.08	359.38	6.00	-104.08
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C21	REAL300000445261	1	38	-3.0	-177.82	356.97	6.01	-171.81
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C21	REAL300000445262	1	43	-2.0	-108.88	373.27	7.37	-101.51
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)C=C(C(=O)[O-])O1	REAL300000445263	0	36	-2.0	-98.34	331.56	4.58	-93.76
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)=C1	REAL300000445264	0	40	-2.0	-104.43	357.94	4.55	-99.88
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=CC=C21	REAL300000445265	0	36	-2.0	-96.49	346.61	6.06	-90.43
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CC(=O)N2C	REAL300000445267	1	39	-2.0	-95.70	349.73	6.28	-89.42
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=CC=C21	REAL300000445268	1	40	-2.0	-89.93	365.86	5.79	-84.14
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)C=C(C(=O)[O-])S1	REAL300000445270	1	36	-2.0	-101.35	338.71	5.35	-96.00
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C21	REAL300000445271	0	36	-2.0	-89.50	342.08	6.03	-83.47
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000445272	1	36	-2.0	-91.52	333.08	5.48	-86.04
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000445273	0	33	-2.0	-93.36	321.29	4.59	-88.77
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000445274	1	36	-2.0	-94.82	334.96	5.51	-89.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)=C1F	REAL300000445275	0	39	-2.0	-102.28	354.79	6.17	-96.11
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300000445276	0	36	-2.0	-91.07	334.48	5.54	-85.53
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000445277	1	36	-2.0	-89.57	341.05	5.85	-83.72
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CC(=O)N2C	REAL300000445278	1	39	-2.0	-97.40	358.47	6.66	-90.74
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000445279	1	36	-2.0	-93.24	339.39	5.54	-87.70
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC=C21	REAL300000445280	1	38	-2.0	-89.17	356.76	6.11	-83.06
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C21	REAL300000445281	0	37	-2.0	-103.94	338.74	3.16	-100.78
CN1C(=O)CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C21	REAL300000445281	1	37	-2.0	-104.21	337.91	3.98	-100.23
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C21	REAL300000445282	1	39	-2.0	-95.10	350.72	6.22	-88.88
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000445283	1	36	-2.0	-94.61	349.28	5.98	-88.63
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CC(=O)N2C	REAL300000445284	1	39	-2.0	-99.77	339.06	6.11	-93.66
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=CC=C21	REAL300000445288	0	38	-2.0	-102.55	355.11	6.54	-96.01
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C21	REAL300000445289	0	36	-2.0	-92.75	340.31	5.57	-87.18
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)C=C1C(=O)[O-]	REAL300000445291	0	39	-2.0	-103.10	354.34	6.16	-96.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)=C1Cl	REAL300000445292	0	39	-2.0	-101.24	360.77	6.60	-94.64
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)=C1	REAL300000445293	0	39	-2.0	-108.14	354.06	6.15	-101.99
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CC(=O)N2C	REAL300000445296	1	39	-2.0	-93.28	355.29	6.65	-86.63
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)=CC(C(=O)[O-])=C1Cl	REAL300000445297	1	39	-2.0	-101.45	359.78	6.40	-95.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)C=C1C(=O)[O-]	REAL300000445298	1	40	-2.0	-103.42	356.59	5.65	-97.77
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)C=C1C(=O)[O-]	REAL300000445299	1	39	-2.0	-98.25	362.30	6.51	-91.74
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=CC=C21	REAL300000445302	0	38	-2.0	-110.42	352.77	7.31	-103.11
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000445303	0	36	-2.0	-107.37	332.68	5.50	-101.87
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)C=C1C(=O)[O-]	REAL300000445304	1	39	-2.0	-96.43	353.50	6.12	-90.31
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C21	REAL300000445305	1	42	-2.0	-111.69	369.60	7.56	-104.13
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000445306	0	35	-2.0	-101.28	325.24	3.59	-97.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CC(=O)N2C	REAL300000445307	0	40	-2.0	-95.81	357.23	5.27	-90.54
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C21	REAL300000445308	0	33	-2.0	-92.12	329.17	4.45	-87.67
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C21	REAL300000445309	1	43	-2.0	-98.27	375.15	7.35	-90.92
CN1C(=O)CC2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C21	REAL300000445310	1	43	-2.0	-101.02	374.00	7.31	-93.71
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CC(=O)N3C)C=C(C(=O)[O-])O1	REAL300000445311	0	39	-2.0	-98.20	350.69	5.43	-92.77
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C(C)C([N+](=O)[O-])=C1	REAL300000445312	1	39	-2.0	-90.12	362.93	6.95	-83.17
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C)C([N+](=O)[O-])=C1	REAL300000445313	1	39	-2.0	-101.88	362.91	6.94	-94.94
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C)C([N+](=O)[O-])=C1	REAL300000445314	0	40	-2.0	-100.15	372.25	6.41	-93.74
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(C)C([N+](=O)[O-])=C1	REAL300000445315	0	39	-2.0	-96.63	368.60	6.20	-90.43
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(C)C([N+](=O)[O-])=C1	REAL300000445316	0	38	-2.0	-99.24	361.82	5.18	-94.06
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=CC=C1	REAL300000445317	0	44	-2.0	-99.38	382.99	7.91	-91.47
CC(C)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000445318	0	44	-2.0	-111.78	383.05	7.91	-103.87
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)N(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000445319	0	47	-2.0	-113.30	399.06	8.44	-104.86
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C1=CC=CC=C1	REAL300000445320	0	41	-2.0	-106.14	376.23	6.94	-99.20
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)N(C2=CC=CC=C2)N=C1	REAL300000445321	0	47	-2.0	-113.35	398.35	8.68	-104.67
CC(C)C1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000445322	0	45	-2.0	-110.15	389.70	7.27	-102.88
CC(C)C1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C1=CC=CC=C1	REAL300000445323	0	41	-2.0	-107.81	374.70	6.95	-100.86
CC1=C(S(=O)(=O)[N-]C2=C(C(C)C)N(C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000445324	0	44	-2.0	-106.13	386.01	7.06	-99.07
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1=CC=CC=C1	REAL300000445325	0	41	-2.0	-101.16	375.30	7.03	-94.13
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1C1=CC=CC=C1	REAL300000445326	0	47	-2.0	-103.28	405.18	8.69	-94.59
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)N(C2=CC=CC=C2)N=C1	REAL300000445327	0	47	-2.0	-107.25	393.04	8.54	-98.71
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)N(C2=CC=CC=C2)N=C1	REAL300000445328	0	47	-2.0	-99.46	398.23	8.67	-90.79
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)N(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000445329	0	47	-2.0	-99.46	399.05	8.45	-91.01
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1C1=CC=CC=C1	REAL300000445330	0	43	-2.0	-109.99	380.03	5.98	-104.01
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)O1	REAL300000445331	1	41	-2.0	-116.29	371.72	8.33	-107.96
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)O1	REAL300000445332	1	41	-2.0	-105.85	367.16	8.30	-97.55
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300000445333	1	41	-2.0	-119.48	367.18	8.30	-111.18
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)O1	REAL300000445334	1	45	-2.0	-105.11	398.63	9.59	-95.52
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2)O1	REAL300000445335	1	44	-2.0	-120.86	383.20	8.83	-112.03
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=C2)O1	REAL300000445336	1	47	-2.0	-123.07	400.29	9.64	-113.43
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)O1	REAL300000445337	0	41	-2.0	-117.68	372.66	8.36	-109.32
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2)O1	REAL300000445338	1	47	-2.0	-104.67	410.75	9.88	-94.79
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)O1	REAL300000445339	0	38	-2.0	-113.37	360.37	7.32	-106.05
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2)O1	REAL300000445340	1	44	-2.0	-121.17	382.62	9.08	-112.09
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)O1	REAL300000445341	0	42	-2.0	-117.51	373.82	7.65	-109.86
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=C2)O1	REAL300000445342	0	41	-2.0	-109.20	376.32	7.98	-101.22
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)O1	REAL300000445344	0	38	-2.0	-114.79	358.83	7.33	-107.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=C(C)O2)=CC=C1C	REAL300000445345	1	47	-2.0	-119.35	396.64	9.99	-109.36
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)O1	REAL300000445346	0	41	-2.0	-113.22	370.19	7.44	-105.78
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=C2)O1	REAL300000445347	1	41	-2.0	-116.94	376.87	8.19	-108.75
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)O1	REAL300000445348	1	41	-2.0	-104.92	371.70	8.34	-96.58
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)O1	REAL300000445349	0	38	-2.0	-107.92	359.44	7.43	-100.49
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)O1	REAL300000445350	1	41	-2.0	-109.86	373.59	8.37	-101.49
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)O1	REAL300000445351	0	41	-2.0	-105.40	372.64	8.37	-97.03
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)O1	REAL300000445352	0	42	-2.0	-120.42	376.89	6.02	-114.40
CC1=CC=C(C2=CC=C(C)C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)O1	REAL300000445352	1	42	-2.0	-117.02	374.31	6.85	-110.17
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)O1	REAL300000445353	1	44	-2.0	-110.39	389.35	9.08	-101.31
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)O1	REAL300000445354	1	44	-2.0	-114.62	377.22	8.94	-105.68
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=C2)O1	REAL300000445356	1	47	-2.0	-122.90	400.65	9.39	-113.51
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=C(C)O3)=CC=C2C)C=C1C(=O)[O-]	REAL300000445358	1	47	-2.0	-121.67	401.12	9.48	-112.19
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=CC=C(C)O3)=CC=C2C)C=C1C(=O)[O-]	REAL300000445359	0	45	-2.0	-118.82	395.21	8.51	-110.31
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2)O1	REAL300000445360	1	44	-2.0	-106.12	383.19	8.85	-97.27
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)O1	REAL300000445361	0	41	-2.0	-122.93	370.82	8.33	-114.60
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)O1	REAL300000445362	0	40	-2.0	-117.45	363.39	6.42	-111.03
CC1=CC=C(C2=CC=C(C)C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)O1	REAL300000445363	0	38	-2.0	-106.51	367.28	7.28	-99.23
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=C(C)O3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000445364	0	44	-2.0	-113.07	389.31	8.28	-104.79
CC1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000445395	0	38	-2.0	-111.73	342.86	8.21	-103.52
CC1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000445426	0	36	-2.0	-111.40	316.07	6.31	-105.09
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(N2C=CC=N2)=C1	REAL300000445464	1	39	-2.0	-110.06	358.07	5.55	-104.51
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(N2C=CC=N2)=C1	REAL300000445465	1	39	-2.0	-100.08	353.45	5.53	-94.55
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(N2C=CC=N2)=C1	REAL300000445466	1	39	-2.0	-112.52	353.53	5.52	-107.00
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC(N2C=CC=N2)=C1	REAL300000445467	1	43	-2.0	-99.41	384.93	6.81	-92.60
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(N2C=CC=N2)=C1	REAL300000445468	1	42	-2.0	-113.85	369.55	6.05	-107.80
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(N2C=CC=N2)=C1	REAL300000445469	0	39	-2.0	-109.05	359.01	5.58	-103.47
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(N2C=CC=N2)=C1	REAL300000445470	0	36	-2.0	-106.80	346.71	4.53	-102.27
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(N2C=CC=N2)=C1	REAL300000445471	1	42	-2.0	-112.35	368.97	6.31	-106.04
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(N2C=CC=N2)=C1	REAL300000445472	0	40	-2.0	-110.95	360.18	4.86	-106.09
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC(N2C=CC=N2)=C1	REAL300000445473	0	39	-2.0	-102.96	362.64	5.20	-97.76
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(N2C=CC=N2)=C1	REAL300000445474	0	36	-2.0	-108.40	345.18	4.55	-103.85
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC(N2C=CC=N2)=C1	REAL300000445475	0	39	-2.0	-105.58	356.54	4.65	-100.93
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC(N2C=CC=N2)=C1	REAL300000445476	0	39	-2.0	-108.70	363.23	5.40	-103.30
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(N2C=CC=N2)=C1	REAL300000445477	1	39	-2.0	-99.52	358.07	5.56	-93.96
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(N2C=CC=N2)=C1	REAL300000445478	0	36	-2.0	-101.72	345.80	4.65	-97.07
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(N2C=CC=N2)=C1	REAL300000445479	0	39	-2.0	-103.33	359.94	5.59	-97.74
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(N2C=CC=N2)=C1	REAL300000445480	0	39	-2.0	-99.64	359.00	5.59	-94.05
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(N2C=CC=N2)=C1	REAL300000445481	0	40	-2.0	-110.79	363.25	3.22	-107.57
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(N2C=CC=N2)=C1	REAL300000445481	1	40	-2.0	-108.70	352.28	4.12	-104.58
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(N2C=CC=N2)=C1	REAL300000445482	1	42	-2.0	-102.89	375.64	6.30	-96.59
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(N2C=CC=N2)=C1	REAL300000445483	1	42	-2.0	-109.74	363.58	6.16	-103.58
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC(N2C=CC=N2)=C1	REAL300000445484	1	42	-2.0	-100.05	368.94	6.29	-93.76
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC(N3C=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000445485	0	43	-2.0	-112.17	381.55	5.73	-106.44
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(N2C=CC=N2)=C1	REAL300000445486	1	42	-2.0	-100.20	369.54	6.06	-94.14
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(N2C=CC=N2)=C1	REAL300000445487	0	39	-2.0	-117.96	357.19	5.55	-112.41
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(N2C=CC=N2)=C1	REAL300000445488	0	38	-2.0	-110.32	349.75	3.64	-106.68
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(N2C=CC=N2)=C1	REAL300000445489	0	36	-2.0	-99.83	353.68	4.49	-95.34
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC(N3C=CC=N3)=C2)C=C(C(=O)[O-])O1	REAL300000445490	0	42	-2.0	-105.24	375.66	5.50	-99.74
CC1=CC(Br)=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000445493	0	28	-2.0	-99.98	301.84	5.58	-94.40
CC1=C(S(=O)(=O)[N-]C2=C(F)C=C(Br)C=C2C)C=C(C(=O)[O-])O1	REAL300000445496	1	31	-2.0	-100.47	311.66	5.70	-94.77
CC1=CC(Br)=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000445497	1	28	-2.0	-94.94	300.93	5.68	-89.26
CC1=CC(Br)=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000445498	0	30	-2.0	-104.11	305.65	4.63	-99.48
COC1=CC=C(N(CCC(C)C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000445515	0	48	-2.0	-108.46	404.30	7.27	-101.19
CC1=CC=C(C2=CC=C(Cl)C=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)O1	REAL300000445524	1	38	-2.0	-97.75	365.56	8.22	-89.53
CC1=CC=C(C2=CC=C(Cl)C=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)O1	REAL300000445525	0	38	-2.0	-111.44	365.57	8.21	-103.23
CC1=CC=C(C2=CC=C(Cl)C=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)O1	REAL300000445526	0	35	-2.0	-105.39	358.76	7.22	-98.17
CC1=CC=C(C2=CC=C(Cl)C=C2[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)O1	REAL300000445527	0	39	-2.0	-109.40	372.21	7.55	-101.85
CC1=CC=C(C2=CC=C(Cl)C=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)O1	REAL300000445528	0	35	-2.0	-106.04	357.22	7.24	-98.80
CC1=CC=C(C2=CC=C(Cl)C=C2[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)O1	REAL300000445529	0	38	-2.0	-104.77	368.58	7.34	-97.43
CC1=CC=C(C2=CC=C(Cl)C=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)O1	REAL300000445530	0	35	-2.0	-99.54	357.83	7.34	-92.20
CC1=CC=C(C2=CC=C(Cl)C=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)O1	REAL300000445531	0	37	-2.0	-108.42	362.56	6.27	-102.15
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000445532	1	43	-2.0	-109.66	378.93	4.37	-105.29
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000445533	1	43	-2.0	-99.07	374.39	4.35	-94.72
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000445534	1	43	-2.0	-110.88	375.39	4.38	-106.50
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000445535	1	46	-2.0	-112.33	389.86	4.87	-107.46
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000445536	0	43	-2.0	-108.83	380.86	4.45	-104.38
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000445537	0	40	-2.0	-106.23	367.61	3.34	-102.89
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000445538	1	46	-2.0	-113.85	389.86	5.11	-108.74
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000445539	0	44	-2.0	-110.42	381.05	3.69	-106.73
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000445540	0	43	-2.0	-101.78	383.54	4.02	-97.76
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000445541	0	40	-2.0	-106.75	367.04	3.41	-103.34
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000445542	0	43	-2.0	-105.43	378.40	3.52	-101.91
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000445543	1	43	-2.0	-109.98	384.13	4.21	-105.77
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000445544	1	43	-2.0	-98.50	378.91	4.38	-94.12
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000445545	0	40	-2.0	-100.63	366.68	3.46	-97.17
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000445546	1	43	-2.0	-102.10	380.82	4.40	-97.70
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000445547	0	43	-2.0	-98.42	380.85	4.45	-93.97
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000445548	0	44	-2.0	-111.80	385.10	2.10	-109.70
CCNC(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C	REAL300000445548	1	44	-2.0	-110.82	379.05	2.96	-107.86
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000445549	1	46	-2.0	-102.64	396.58	5.11	-97.53
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000445550	1	46	-2.0	-107.43	385.05	5.03	-102.40
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1C	REAL300000445552	0	47	-2.0	-110.84	402.36	4.54	-106.30
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000445553	1	46	-2.0	-99.18	391.25	4.95	-94.23
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000445554	0	43	-2.0	-114.18	378.07	4.35	-109.83
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000445555	0	42	-2.0	-109.51	371.63	2.52	-106.99
CCNC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1C	REAL300000445556	0	46	-2.0	-106.42	396.54	4.32	-102.10
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000445557	0	39	-2.0	-90.87	360.92	-0.78	-91.65
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000445558	0	32	-2.0	-106.90	309.00	0.67	-106.23
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000445559	0	40	-2.0	-107.32	364.08	1.71	-105.61
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000445560	0	32	-2.0	-103.69	320.88	1.33	-102.36
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000445561	0	32	-2.0	-97.17	304.45	0.63	-96.54
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000445562	0	32	-2.0	-109.27	304.46	0.62	-108.65
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000445563	0	36	-2.0	-113.85	332.60	0.43	-113.42
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000445564	0	32	-2.0	-104.78	320.71	1.12	-103.66
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000445565	0	36	-2.0	-96.75	335.91	1.93	-94.82
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000445566	0	35	-2.0	-110.39	320.48	1.17	-109.22
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000445567	0	32	-2.0	-104.28	317.53	1.20	-103.08
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000445568	0	32	-2.0	-105.24	316.98	1.02	-104.22
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000445569	0	32	-2.0	-100.06	330.03	1.57	-98.49
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000445570	0	38	-2.0	-111.04	337.57	1.95	-109.09
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000445571	0	32	-2.0	-105.81	309.94	0.69	-105.12
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000445572	0	38	-2.0	-95.79	348.03	2.21	-93.58
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000445573	0	29	-2.0	-103.81	297.64	-0.36	-104.17
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000445574	0	35	-2.0	-109.21	319.90	1.41	-107.80
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000445575	0	36	-2.0	-95.45	335.53	0.91	-94.54
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000445576	0	43	-2.0	-91.84	381.29	1.68	-90.16
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000445577	0	29	-2.0	-100.22	314.68	0.41	-99.81
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000445578	0	33	-2.0	-107.86	311.11	-0.03	-107.89
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000445579	0	36	-2.0	-109.87	328.24	-0.55	-110.42
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000445580	0	32	-2.0	-99.89	313.57	0.31	-99.58
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000445581	0	38	-2.0	-110.43	335.91	1.95	-108.48
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000445582	0	29	-2.0	-105.17	296.11	-0.34	-105.51
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C(OC)=C1	REAL300000445583	0	40	-2.0	-109.67	362.80	0.45	-109.22
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000445584	0	36	-2.0	-115.19	331.75	0.71	-114.48
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000445585	0	42	-2.0	-113.10	359.70	3.25	-109.85
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000445586	0	41	-2.0	-111.34	358.36	2.64	-108.70
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1OC	REAL300000445587	0	38	-2.0	-107.26	334.58	2.36	-104.90
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000445588	0	39	-2.0	-115.15	354.89	1.19	-113.96
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000445589	0	34	-3.0	-183.95	332.86	1.19	-182.76
COC1=NN(C)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000445589	1	35	-2.0	-110.24	333.27	1.19	-109.05
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000445590	0	39	-2.0	-113.50	348.71	2.52	-110.98
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000445591	0	32	-2.0	-102.85	307.46	-0.23	-103.08
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000445592	0	38	-2.0	-114.28	346.63	0.40	-113.88
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000445593	0	36	-2.0	-111.22	333.38	-0.27	-111.49
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000445594	0	40	-2.0	-96.70	358.09	1.22	-95.48
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000445595	0	32	-2.0	-99.11	332.14	1.49	-97.62
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000445596	0	32	-2.0	-101.17	322.06	1.22	-99.95
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000445597	0	36	-2.0	-94.06	351.57	1.46	-92.60
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000445598	0	39	-2.0	-95.91	355.61	1.63	-94.28
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000445599	0	42	-2.0	-94.78	384.21	1.89	-92.89
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000445600	0	35	-2.0	-100.18	325.17	1.44	-98.74
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000445601	0	45	-2.0	-95.93	398.07	2.54	-93.39
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000445602	0	36	-2.0	-95.02	341.76	0.97	-94.05
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC)C=C1C(=O)[O-]	REAL300000445603	0	39	-2.0	-115.86	353.60	1.60	-114.26
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000445604	0	32	-2.0	-105.89	313.09	0.53	-105.36
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000445605	0	32	-2.0	-98.28	332.69	1.64	-96.64
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000445606	0	32	-2.0	-94.77	317.51	1.19	-93.58
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000445607	0	32	-2.0	-94.32	320.86	1.32	-93.00
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000445608	0	32	-2.0	-96.77	308.99	0.68	-96.09
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000445609	0	29	-2.0	-98.80	296.72	-0.25	-99.05
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000445610	0	32	-2.0	-100.27	310.88	0.71	-99.56
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000445611	0	35	-2.0	-107.27	330.21	1.33	-105.94
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Cl)C=C(C(=O)[O-])C(OC)=C1	REAL300000445612	0	36	-2.0	-99.50	344.77	1.24	-98.26
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000445613	0	32	-2.0	-96.59	309.92	0.70	-95.89
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000445614	0	32	-2.0	-94.76	316.96	1.04	-93.72
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000445615	0	35	-2.0	-101.82	333.90	1.82	-100.00
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000445616	0	40	-2.0	-93.52	368.20	2.04	-91.48
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000445617	0	32	-2.0	-94.32	320.70	1.12	-93.20
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000445618	0	32	-2.0	-98.69	315.29	0.73	-97.96
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000445619	0	34	-2.0	-94.52	332.65	1.30	-93.22
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000445620	0	33	-2.0	-107.81	314.17	-1.67	-109.48
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000445621	0	35	-2.0	-100.15	326.64	1.40	-98.75
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000445622	0	32	-2.0	-100.05	325.17	1.17	-98.88
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000445623	0	35	-2.0	-106.06	314.50	1.25	-104.81
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000445624	0	35	-2.0	-108.28	329.30	1.28	-107.00
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000445625	0	35	-2.0	-97.14	319.87	1.40	-95.74
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000445626	0	38	-2.0	-112.27	337.34	1.69	-110.58
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000445627	0	34	-2.0	-107.88	331.02	1.72	-106.16
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000445628	0	32	-2.0	-97.82	316.20	0.75	-97.07
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000445629	0	29	-2.0	-96.63	317.04	0.31	-96.32
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000445630	0	38	-2.0	-110.23	338.94	2.02	-108.21
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000445631	0	35	-2.0	-108.06	329.77	1.32	-106.74
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000445632	0	35	-2.0	-106.09	336.24	1.76	-104.33
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000445633	0	35	-2.0	-114.66	329.49	1.32	-113.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC)C=C1C(=O)[O-]	REAL300000445634	0	38	-2.0	-111.02	338.78	1.81	-109.21
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000445635	0	39	-2.0	-112.45	354.93	0.75	-111.70
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000445636	0	35	-2.0	-99.28	330.72	1.81	-97.47
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000445637	0	35	-2.0	-93.75	334.58	1.44	-92.31
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000445638	0	35	-2.0	-106.98	335.69	1.58	-105.40
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000445639	0	32	-2.0	-102.09	325.76	1.25	-100.84
CCN1C=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC)C=C1C(=O)[O-]	REAL300000445640	0	36	-2.0	-109.19	332.48	0.84	-108.35
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000445641	0	44	-2.0	-110.51	369.61	3.48	-107.03
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000445642	0	32	-2.0	-96.60	330.07	1.18	-95.42
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000445643	0	36	-2.0	-96.26	349.16	0.92	-95.34
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000445644	0	35	-2.0	-102.76	334.32	1.59	-101.17
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000445645	0	41	-2.0	-105.72	353.90	2.77	-102.95
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Cl)C=C(OC)C(C(=O)[O-])=C1	REAL300000445646	0	36	-2.0	-109.89	344.79	1.25	-108.64
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000445647	0	35	-2.0	-97.30	320.47	1.17	-96.13
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000445648	0	37	-2.0	-101.05	347.71	2.84	-98.21
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000445649	0	35	-2.0	-106.80	324.41	1.44	-105.36
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000445650	0	34	-2.0	-116.83	328.20	2.50	-114.33
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000445651	0	32	-2.0	-113.89	308.12	0.66	-113.23
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000445652	0	35	-2.0	-101.02	325.62	1.20	-99.82
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000445653	0	38	-2.0	-117.40	345.50	2.76	-114.64
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000445654	0	31	-2.0	-106.88	300.67	-1.25	-108.13
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000445655	0	36	-2.0	-101.23	332.66	0.42	-100.81
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000445656	0	29	-2.0	-97.10	304.57	-0.40	-97.50
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000445657	0	36	-2.0	-104.71	348.25	1.20	-103.51
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000445658	0	35	-2.0	-100.78	347.81	-2.33	-103.11
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000445659	0	39	-2.0	-103.26	350.58	2.51	-100.75
COC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000445660	0	39	-2.0	-107.02	348.55	2.49	-104.53
CCC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC)C=C(C(=O)[O-])O1	REAL300000445661	0	35	-2.0	-102.50	326.58	0.62	-101.88
CN(C1=CC=C2C=CNC2=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000445690	0	38	-2.0	-116.20	349.42	6.95	-109.25
CN(C1=CC=C2C=CNC2=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000445717	0	36	-2.0	-111.82	319.79	5.08	-106.74
CCC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000445760	1	36	-2.0	-116.57	350.16	6.91	-109.66
CCC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000445762	1	33	-2.0	-112.69	337.88	5.87	-106.82
CCC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000445767	1	36	-2.0	-108.45	353.80	6.53	-101.92
CCC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000445777	1	33	-2.0	-107.21	336.95	5.97	-101.24
CCC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000445779	1	39	-2.0	-118.09	370.44	7.55	-110.54
CCC(=O)C1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000445781	0	37	-2.0	-117.33	351.94	5.41	-111.92
CCC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000445789	1	39	-2.0	-122.45	369.73	7.54	-114.91
CCC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000445794	1	36	-2.0	-121.57	348.31	6.87	-114.70
CCC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000445796	0	35	-2.0	-116.60	341.66	4.90	-111.70
CCC(=O)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000445798	1	33	-2.0	-105.89	344.79	5.81	-100.08
COC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000445800	0	31	-2.0	-90.05	314.10	2.29	-87.76
COC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000445801	0	31	-2.0	-101.84	314.12	2.28	-99.56
COC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000445802	0	28	-2.0	-96.23	307.30	1.31	-94.92
COC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000445803	0	32	-2.0	-100.35	320.77	1.65	-98.70
COC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000445804	0	28	-2.0	-97.72	305.77	1.33	-96.39
COC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000445805	0	31	-2.0	-95.79	317.12	1.44	-94.35
COC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000445806	0	28	-2.0	-91.37	306.38	1.42	-89.95
COC1=NC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000445807	0	30	-2.0	-99.46	310.33	0.41	-99.05
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C(N)=O)=N1	REAL300000445808	0	42	-2.0	-96.88	386.46	-0.95	-97.83
CCN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445809	0	35	-2.0	-113.79	334.55	0.49	-113.30
CCN1C=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C(C(N)=O)=N1	REAL300000445810	0	43	-2.0	-113.06	389.64	1.57	-111.49
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(N)=O)=N1	REAL300000445811	0	35	-2.0	-104.01	329.98	0.47	-103.54
CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445812	0	35	-2.0	-116.42	330.02	0.46	-115.96
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C(N)=O)=N1	REAL300000445813	0	39	-2.0	-120.29	358.16	0.28	-120.01
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(N)=O)=N1	REAL300000445814	0	39	-2.0	-102.88	361.46	1.76	-101.12
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445815	0	38	-2.0	-117.59	346.04	1.00	-116.59
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(N)=O)=N1	REAL300000445816	0	35	-2.0	-110.55	343.08	1.02	-109.53
CCN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445817	0	35	-2.0	-112.20	342.53	0.86	-111.34
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C(N)=O)=N1	REAL300000445818	0	41	-2.0	-117.23	363.12	1.79	-115.44
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(N)=O)=N1	REAL300000445819	0	35	-2.0	-112.42	335.50	0.53	-111.89
CCN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(N)=O)=N1	REAL300000445820	0	41	-2.0	-101.90	373.57	2.05	-99.85
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(N)=O)=N1	REAL300000445821	0	32	-2.0	-110.77	323.20	-0.50	-111.27
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(N)=O)=N1	REAL300000445822	0	38	-2.0	-115.28	345.44	1.25	-114.03
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(N)=O)=N1	REAL300000445823	0	39	-2.0	-101.66	361.07	0.75	-100.91
CCN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445824	0	36	-2.0	-115.10	336.65	-0.18	-115.28
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C(N)=O)=N1	REAL300000445825	0	39	-2.0	-115.78	353.79	-0.69	-116.47
CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C(N)=O)=N1	REAL300000445826	0	35	-2.0	-107.00	339.12	0.16	-106.84
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C(N)=O)=N1	REAL300000445827	0	41	-2.0	-117.96	365.46	1.88	-116.08
CCN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445828	0	32	-2.0	-112.04	321.67	-0.49	-112.53
CCN1C=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445829	0	43	-2.0	-117.34	388.32	0.27	-117.07
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445830	0	39	-2.0	-122.26	357.30	0.53	-121.73
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(C(N)=O)=N1	REAL300000445831	0	45	-2.0	-119.54	385.24	3.11	-116.43
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C(N)=O)=N1	REAL300000445832	0	44	-2.0	-117.35	383.92	2.48	-114.87
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC)N=C1C(N)=O	REAL300000445833	0	41	-2.0	-112.41	358.50	2.18	-110.23
CCN1C=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(C(N)=O)=N1	REAL300000445834	0	42	-2.0	-122.48	380.45	1.05	-121.43
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445835	0	37	-3.0	-193.52	358.41	1.03	-192.49
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C(N)=O)=N1	REAL300000445836	0	42	-2.0	-119.94	374.27	2.37	-117.57
CCN1C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445837	0	35	-2.0	-109.24	333.02	-0.39	-109.63
CCN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445838	0	41	-2.0	-121.63	372.17	0.24	-121.39
CCN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(N)=O)=N1	REAL300000445839	0	39	-2.0	-119.56	358.92	-0.42	-119.98
CCN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C(C(N)=O)=N1	REAL300000445840	0	43	-2.0	-102.34	382.93	1.07	-101.27
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(C(N)=O)=N1	REAL300000445841	0	35	-2.0	-107.27	347.61	1.07	-106.20
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(C(N)=O)=N1	REAL300000445842	0	42	-2.0	-102.25	381.16	1.45	-100.80
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(N)=O)=N1	REAL300000445843	0	38	-2.0	-106.46	350.72	1.28	-105.18
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C(N)=O)=N1	REAL300000445844	0	39	-2.0	-101.19	367.31	0.81	-100.38
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CC)N=C2C(N)=O)C=C1C(=O)[O-]	REAL300000445845	0	42	-2.0	-123.11	379.15	1.44	-121.67
CCN1C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445846	0	35	-2.0	-112.06	338.65	0.36	-111.70
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(N)=O)=N1	REAL300000445847	0	35	-2.0	-101.47	343.07	1.02	-100.45
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(N)=O)=N1	REAL300000445848	0	35	-2.0	-103.49	334.54	0.50	-102.99
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(N)=O)=N1	REAL300000445849	0	32	-2.0	-105.69	322.27	-0.40	-106.09
CCN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445850	0	35	-2.0	-107.28	336.41	0.53	-106.75
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C(N)=O)=N1	REAL300000445851	0	38	-2.0	-114.06	355.77	1.16	-112.90
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(N)=O)=N1	REAL300000445852	0	35	-2.0	-103.68	335.48	0.53	-103.15
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(N)=O)=N1	REAL300000445853	0	35	-2.0	-101.58	342.51	0.87	-100.71
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C(N)=O)=N1	REAL300000445854	0	38	-2.0	-108.01	359.45	1.67	-106.34
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(C(N)=O)=N1	REAL300000445855	0	43	-2.0	-99.43	393.74	1.87	-97.56
CCN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445856	0	35	-2.0	-105.54	340.83	0.56	-104.98
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445857	0	37	-2.0	-101.49	358.20	1.13	-100.36
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(N)=O)=N1	REAL300000445858	0	35	-3.0	-214.54	336.15	-0.92	-215.46
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(N)=O)=N1	REAL300000445858	1	36	-2.0	-113.36	339.72	-1.81	-115.17
CCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(N)=O)=N1	REAL300000445859	0	38	-2.0	-106.43	352.17	1.25	-105.18
CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445860	0	35	-2.0	-107.02	350.71	0.99	-106.03
CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(N)=O)=N1	REAL300000445861	0	38	-2.0	-113.95	340.06	1.10	-112.85
CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445862	0	38	-2.0	-115.28	354.84	1.11	-114.17
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C(N)=O)=N1	REAL300000445863	0	38	-2.0	-103.80	345.42	1.24	-102.56
CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445864	0	41	-2.0	-119.68	362.89	1.53	-118.15
CCN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445865	0	37	-2.0	-114.63	356.58	1.55	-113.08
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(N)=O)=N1	REAL300000445866	0	35	-2.0	-104.57	341.75	0.59	-103.98
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C(N)=O)=N1	REAL300000445867	0	41	-2.0	-118.58	363.54	1.88	-116.70
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(N)=O)=N1	REAL300000445868	0	38	-2.0	-114.77	355.32	1.16	-113.61
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C(N)=O)=N1	REAL300000445869	0	38	-2.0	-112.48	361.80	1.61	-110.87
CCN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C(N)=O)=N1	REAL300000445870	0	38	-2.0	-122.99	355.05	1.15	-121.84
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC)N=C2C(N)=O)C=C1C(=O)[O-]	REAL300000445871	0	41	-2.0	-118.30	364.25	1.65	-116.65
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445872	0	42	-2.0	-120.82	380.48	0.59	-120.23
CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C(N)=O)=N1	REAL300000445873	0	38	-2.0	-106.92	356.27	1.65	-105.27
CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445874	0	38	-2.0	-114.15	361.23	1.42	-112.73
CCN1C=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445875	0	39	-2.0	-116.45	358.02	0.69	-115.76
CCN1C=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C(C(N)=O)=N1	REAL300000445876	0	47	-2.0	-118.90	395.16	3.34	-115.56
CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445877	0	38	-2.0	-109.92	359.87	1.43	-108.49
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C(N)=O)=N1	REAL300000445878	0	38	-2.0	-104.24	346.03	1.01	-103.23
CCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(C(N)=O)=N1	REAL300000445879	0	40	-2.0	-107.36	373.27	2.66	-104.70
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C(N)=O)=N1	REAL300000445880	0	38	-2.0	-112.65	349.97	1.28	-111.37
CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C(N)=O)=N1	REAL300000445881	0	37	-2.0	-124.70	353.75	2.33	-122.37
CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(N)=O)=N1	REAL300000445882	0	35	-2.0	-122.07	333.64	0.49	-121.58
CCN1C=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445883	0	38	-2.0	-108.30	351.17	1.04	-107.26
CCN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445884	0	41	-2.0	-124.91	371.05	2.60	-122.31
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(N)=O)=N1	REAL300000445885	0	34	-2.0	-111.61	326.99	-1.46	-113.07
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C(N)=O)=N1	REAL300000445886	0	39	-2.0	-108.11	358.22	0.28	-107.83
CCN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000445887	0	32	-2.0	-103.75	330.11	-0.55	-104.30
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(N)=O)=N1	REAL300000445888	0	42	-2.0	-109.73	376.15	2.35	-107.38
CCN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(N)=O)=N1	REAL300000445889	0	42	-2.0	-115.25	374.09	2.33	-112.92
CCC1=C(S(=O)(=O)[N-]C2=CN(CC)N=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000445890	0	38	-2.0	-108.42	352.13	0.46	-107.96
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445891	0	31	-2.0	-103.40	311.26	2.76	-100.64
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(OC(F)F)=NO1	REAL300000445892	0	31	-2.0	-93.69	306.69	2.74	-90.95
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445893	0	31	-2.0	-105.61	306.73	2.73	-102.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)ON=C1OC(F)F	REAL300000445894	0	35	-2.0	-111.12	334.86	2.46	-108.66
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(OC(F)F)=NO1	REAL300000445895	0	35	-2.0	-93.91	338.17	4.02	-89.89
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445896	0	34	-2.0	-106.54	322.73	3.26	-103.28
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(OC(F)F)=NO1	REAL300000445897	0	31	-2.0	-101.66	319.79	3.30	-98.36
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445898	0	31	-2.0	-101.65	319.24	3.12	-98.53
CC1=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445899	0	37	-2.0	-108.82	339.11	4.02	-104.80
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(OC(F)F)=NO1	REAL300000445900	0	31	-2.0	-102.88	312.20	2.79	-100.09
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(OC(F)F)=NO1	REAL300000445901	0	37	-2.0	-93.09	350.28	4.32	-88.77
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(OC(F)F)=NO1	REAL300000445902	0	28	-2.0	-100.22	299.90	1.77	-98.45
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(OC(F)F)=NO1	REAL300000445903	0	34	-2.0	-107.01	322.16	3.49	-103.52
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(OC(F)F)=NO1	REAL300000445904	0	35	-2.0	-92.55	337.78	3.01	-89.54
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445905	0	32	-2.0	-104.02	313.37	2.10	-101.92
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(OC(F)F)=NO1	REAL300000445906	0	35	-2.0	-107.57	330.92	1.53	-106.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)ON=C2OC(F)F)=C1	REAL300000445907	0	31	-2.0	-96.32	315.83	2.42	-93.90
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445908	0	37	-2.0	-108.10	338.18	4.02	-104.08
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445909	0	28	-2.0	-101.50	298.37	1.78	-99.72
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)ON=C2OC(F)F)C=C1C(=O)[O-]	REAL300000445910	0	35	-2.0	-111.59	334.01	2.80	-108.79
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(OC(F)F)=NO1	REAL300000445911	0	40	-2.0	-109.07	360.62	4.73	-104.34
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)ON=C1OC(F)F	REAL300000445912	0	37	-2.0	-105.73	336.85	4.44	-101.29
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)ON=C1OC(F)F	REAL300000445913	0	38	-2.0	-110.75	357.15	3.23	-107.52
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445914	0	33	-3.0	-178.13	335.12	3.29	-174.84
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(OC(F)F)=NO1	REAL300000445915	0	38	-2.0	-111.00	350.97	4.62	-106.38
CC1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445916	0	31	-2.0	-100.23	309.73	1.87	-98.36
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(OC(F)F)=NO1	REAL300000445917	0	35	-2.0	-106.48	335.69	1.75	-104.73
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(OC(F)F)=NO1	REAL300000445918	0	38	-2.0	-92.95	357.87	3.72	-89.23
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(OC(F)F)=NO1	REAL300000445919	0	34	-2.0	-97.85	327.43	3.52	-94.33
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(OC(F)F)=NO1	REAL300000445920	0	35	-2.0	-92.25	344.02	3.08	-89.17
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)ON=C2OC(F)F)C=C1C(=O)[O-]	REAL300000445921	0	38	-2.0	-112.15	355.86	3.70	-108.45
CC1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445922	0	31	-2.0	-103.55	315.32	2.61	-100.94
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(OC(F)F)=NO1	REAL300000445923	0	31	-2.0	-91.42	319.77	3.28	-88.14
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(OC(F)F)=NO1	REAL300000445924	0	31	-2.0	-93.44	311.25	2.77	-90.67
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(OC(F)F)=NO1	REAL300000445925	0	28	-2.0	-95.29	298.99	1.86	-93.43
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445926	0	31	-2.0	-96.73	313.14	2.80	-93.93
CC1=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445927	0	34	-2.0	-104.20	332.47	3.42	-100.78
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(OC(F)F)=NO1	REAL300000445928	0	31	-2.0	-92.87	312.18	2.80	-90.07
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(OC(F)F)=NO1	REAL300000445929	0	31	-2.0	-91.40	319.22	3.13	-88.27
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(OC(F)F)=NO1	REAL300000445930	0	34	-2.0	-99.46	336.16	3.91	-95.55
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445931	0	31	-2.0	-95.30	317.55	2.82	-92.48
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445932	0	33	-2.0	-91.17	334.92	3.40	-87.77
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(OC(F)F)=NO1	REAL300000445933	0	32	-2.0	-106.08	316.43	0.37	-105.71
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(OC(F)F)=NO1	REAL300000445934	0	34	-2.0	-97.41	328.88	3.51	-93.90
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(OC(F)F)=NO1	REAL300000445935	0	34	-2.0	-101.48	316.76	3.35	-98.13
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)C(OC(F)F)=NO1	REAL300000445936	0	34	-2.0	-104.67	331.55	3.38	-101.29
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(OC(F)F)=NO1	REAL300000445937	0	34	-2.0	-94.20	322.14	3.49	-90.71
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)C(OC(F)F)=NO1	REAL300000445938	0	37	-2.0	-109.71	344.21	3.93	-105.78
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445939	0	33	-2.0	-104.49	333.30	3.82	-100.67
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(OC(F)F)=NO1	REAL300000445940	0	31	-2.0	-94.78	318.48	2.86	-91.92
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(OC(F)F)=NO1	REAL300000445941	0	37	-2.0	-105.56	341.20	4.10	-101.46
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445942	0	34	-2.0	-105.10	332.03	3.43	-101.67
CC1=C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445943	0	34	-2.0	-103.25	338.50	3.86	-99.39
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(OC(F)F)=NO1	REAL300000445944	0	34	-2.0	-109.70	331.73	3.42	-106.28
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)ON=C2OC(F)F)C=C1C(=O)[O-]	REAL300000445945	0	37	-2.0	-107.26	340.69	3.92	-103.34
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)ON=C2OC(F)F)C=C1CC(=O)[O-]	REAL300000445946	0	38	-2.0	-107.57	357.19	2.86	-104.71
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(OC(F)F)=NO1	REAL300000445947	0	34	-2.0	-95.92	337.26	3.97	-91.95
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)C(OC(F)F)=NO1	REAL300000445948	0	34	-2.0	-103.35	337.94	3.70	-99.65
CCN1C=C(S(=O)(=O)[N-]C2=C(C)ON=C2OC(F)F)C=C1C(=O)[O-]	REAL300000445949	0	35	-2.0	-105.24	334.74	2.97	-102.27
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445950	0	34	-2.0	-99.03	336.60	3.70	-95.33
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(OC(F)F)=NO1	REAL300000445951	0	34	-2.0	-93.75	322.73	3.27	-90.48
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(OC(F)F)=NO1	REAL300000445952	0	34	-2.0	-104.81	326.67	3.52	-101.29
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(OC(F)F)=NO1	REAL300000445953	0	33	-2.0	-111.95	330.45	4.49	-107.46
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(OC(F)F)=NO1	REAL300000445954	0	31	-2.0	-108.96	310.38	2.76	-106.20
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445955	0	34	-2.0	-97.39	327.90	3.30	-94.09
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445956	0	37	-2.0	-113.55	347.76	4.85	-108.70
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(OC(F)F)=NO1	REAL300000445957	0	30	-2.0	-103.06	303.70	0.80	-102.26
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)ON=C1OC(F)F	REAL300000445958	0	35	-2.0	-97.79	334.92	2.46	-95.33
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(OC(F)F)=NO1	REAL300000445959	0	28	-2.0	-94.09	306.87	1.71	-92.38
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(OC(F)F)=NO1	REAL300000445960	0	38	-2.0	-100.28	352.84	4.62	-95.66
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(OC(F)F)=NO1	REAL300000445961	0	38	-2.0	-102.76	352.16	4.63	-98.13
CCC1=C(S(=O)(=O)[N-]C2=C(C)ON=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000445962	0	34	-2.0	-100.21	328.85	2.72	-97.49
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000445963	0	40	-2.0	-89.58	372.53	1.81	-87.77
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000445964	1	33	-2.0	-106.43	320.60	3.26	-103.17
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1SC	REAL300000445965	0	41	-2.0	-106.49	375.69	4.31	-102.18
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000445966	1	33	-2.0	-96.23	316.05	3.24	-92.99
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000445967	1	33	-2.0	-108.35	316.07	3.23	-105.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1SC	REAL300000445968	0	37	-2.0	-113.47	344.21	3.03	-110.44
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000445969	1	37	-2.0	-95.53	347.52	4.52	-91.01
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000445970	1	36	-2.0	-109.56	332.09	3.75	-105.81
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000445971	1	39	-2.0	-110.70	349.18	4.56	-106.14
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000445972	0	33	-2.0	-105.69	321.55	3.29	-102.40
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000445973	1	39	-2.0	-94.82	359.64	4.81	-90.01
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000445974	0	30	-2.0	-102.84	309.26	2.24	-100.60
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000445975	1	36	-2.0	-108.83	331.51	4.01	-104.82
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000445976	1	37	-2.0	-94.26	347.14	3.50	-90.76
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000445977	0	34	-2.0	-107.32	322.72	2.57	-104.75
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000445978	1	37	-2.0	-110.16	339.85	2.06	-108.10
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000445979	0	33	-2.0	-99.08	325.20	2.91	-96.17
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000445980	1	39	-2.0	-110.76	347.52	4.55	-106.21
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000445981	0	30	-2.0	-104.21	307.72	2.26	-101.95
COC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2SC)=CC(C(=O)[O-])=C1OC	REAL300000445982	1	41	-2.0	-108.90	374.38	3.04	-105.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2SC)C=C1C(=O)[O-]	REAL300000445983	1	37	-2.0	-114.87	343.36	3.29	-111.58
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000445984	1	43	-2.0	-112.81	371.31	5.86	-106.95
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000445985	1	42	-2.0	-110.85	369.97	5.23	-105.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1SC	REAL300000445986	1	39	-2.0	-107.53	344.92	4.88	-102.65
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1SC	REAL300000445987	0	40	-2.0	-114.12	366.50	3.79	-110.33
CSC1=CC(O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000445988	0	36	-2.0	-107.49	343.86	3.71	-103.78
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000445988	1	35	-3.0	-184.78	344.47	3.79	-180.99
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000445989	1	40	-2.0	-113.79	360.31	5.12	-108.67
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000445990	0	33	-2.0	-102.28	319.08	2.36	-99.92
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000445991	1	39	-2.0	-113.26	358.24	3.00	-110.26
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000445992	0	37	-2.0	-109.70	345.03	2.32	-107.38
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000445993	1	41	-2.0	-95.07	368.99	3.82	-91.25
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000445994	1	40	-2.0	-94.74	367.23	4.21	-90.53
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000445995	1	36	-2.0	-100.19	336.78	4.03	-96.16
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000445996	1	37	-2.0	-93.78	353.37	3.57	-90.21
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2SC)C=C1C(=O)[O-]	REAL300000445997	1	40	-2.0	-114.82	365.22	4.19	-110.63
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000445998	0	33	-2.0	-105.53	324.70	3.12	-102.41
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000445999	0	33	-2.0	-93.72	329.12	3.79	-89.93
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000446000	1	33	-2.0	-95.71	320.61	3.27	-92.44
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000446001	0	30	-2.0	-97.92	308.33	2.35	-95.57
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000446002	0	33	-2.0	-99.38	322.49	3.29	-96.09
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000446003	0	36	-2.0	-107.16	341.82	3.92	-103.24
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000446004	0	33	-2.0	-95.79	321.53	3.30	-92.49
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000446005	1	33	-2.0	-93.79	328.58	3.62	-90.17
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000446006	1	36	-2.0	-101.86	345.52	4.42	-97.44
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000446007	0	41	-2.0	-92.33	379.80	4.64	-87.69
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000446008	0	35	-2.0	-94.05	344.26	3.90	-90.15
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000446009	0	34	-2.0	-108.21	325.79	0.92	-107.29
CSC1=CC(O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000446009	1	34	-2.0	-110.56	320.69	1.24	-109.32
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000446010	1	36	-2.0	-99.64	338.24	4.00	-95.64
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000446011	1	33	-2.0	-98.96	336.78	3.76	-95.20
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000446012	1	36	-2.0	-105.05	326.11	3.86	-101.19
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000446013	1	36	-2.0	-107.85	340.90	3.88	-103.97
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000446014	1	36	-2.0	-96.33	331.48	3.99	-92.34
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000446015	1	39	-2.0	-111.49	348.94	4.30	-107.19
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000446016	0	35	-2.0	-106.60	342.65	4.32	-102.28
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000446017	0	33	-2.0	-97.53	327.81	3.35	-94.18
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000446018	1	39	-2.0	-109.34	350.55	4.62	-104.72
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000446019	0	36	-2.0	-106.80	337.55	3.83	-102.97
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000446020	0	36	-2.0	-105.66	347.85	4.36	-101.30
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000446021	0	36	-2.0	-113.99	341.09	3.92	-110.07
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2SC)C=C1C(=O)[O-]	REAL300000446022	1	39	-2.0	-110.28	350.04	4.40	-105.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2SC)C=C1CC(=O)[O-]	REAL300000446023	1	40	-2.0	-111.41	366.55	3.35	-108.06
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000446024	1	36	-2.0	-97.98	342.33	4.39	-93.59
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000446025	1	36	-2.0	-106.60	347.29	4.19	-102.41
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2SC)C=C1C(=O)[O-]	REAL300000446026	0	37	-2.0	-108.54	344.09	3.44	-105.10
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000446027	1	45	-2.0	-108.64	381.22	6.10	-102.54
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000446028	1	36	-2.0	-101.88	345.93	4.19	-97.69
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000446029	1	36	-2.0	-97.95	336.14	3.86	-94.09
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000446030	0	38	-2.0	-100.43	359.32	5.41	-95.02
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000446031	1	36	-2.0	-106.26	336.02	4.04	-102.22
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000446032	0	35	-2.0	-115.03	339.81	5.07	-109.96
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000446033	0	33	-2.0	-112.49	319.71	3.24	-109.25
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000446034	1	36	-2.0	-100.25	337.23	3.80	-96.45
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000446035	1	39	-2.0	-116.60	357.10	5.35	-111.25
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000446036	0	32	-2.0	-106.71	312.28	1.34	-105.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1SC	REAL300000446037	0	37	-2.0	-100.25	344.27	3.02	-97.23
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000446038	0	30	-2.0	-96.44	316.18	2.19	-94.25
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000446039	1	40	-2.0	-102.44	362.20	5.11	-97.33
CSC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000446040	1	40	-2.0	-105.55	360.16	5.09	-100.46
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2SC)C=C(C(=O)[O-])O1	REAL300000446041	0	36	-2.0	-101.87	338.20	3.21	-98.66
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(C)=C1Br	REAL300000446043	1	34	-2.0	-104.86	323.33	6.76	-98.10
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(C)=C1Br	REAL300000446045	0	31	-2.0	-99.14	316.52	5.77	-93.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(Br)C(C)=C1	REAL300000446046	1	37	-2.0	-105.92	338.77	7.54	-98.38
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(C)=C1Br	REAL300000446047	1	35	-2.0	-103.28	329.98	6.12	-97.16
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(C)=C1Br	REAL300000446048	0	31	-2.0	-100.53	314.98	5.79	-94.74
CC1=C(S(=O)(=O)[N-]C2=CC(C)=C(Br)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000446049	0	34	-2.0	-98.91	326.34	5.89	-93.02
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(C)=C1Br	REAL300000446050	0	31	-2.0	-94.07	315.60	5.89	-88.18
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(C)=C1Br	REAL300000446051	1	37	-2.0	-96.07	345.50	7.53	-88.54
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(C)=C1Br	REAL300000446052	1	37	-2.0	-101.94	337.17	7.49	-94.45
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(C)=C1Br	REAL300000446055	0	33	-2.0	-102.55	319.55	4.88	-97.67
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C(C)C	REAL300000446056	0	49	-2.0	-107.20	415.19	7.57	-99.63
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C(C)C	REAL300000446057	0	49	-2.0	-96.98	410.64	7.55	-89.43
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C(C)C	REAL300000446058	0	49	-2.0	-109.42	410.67	7.53	-101.89
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)N(CCC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000446059	0	52	-2.0	-111.03	426.68	8.05	-102.98
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C(C)C	REAL300000446060	0	49	-2.0	-107.62	416.14	7.58	-100.04
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C(C)C	REAL300000446061	0	46	-2.0	-103.98	403.85	6.55	-97.43
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)N(CCC(C)C)N=C1	REAL300000446062	0	52	-2.0	-111.36	425.97	8.29	-103.07
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C(C)C	REAL300000446063	0	50	-2.0	-107.89	417.31	6.88	-101.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C(C)C)N(CCC(C)C)N=C2)=C1	REAL300000446064	0	49	-2.0	-99.91	419.78	7.21	-92.70
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C(C)C	REAL300000446065	0	46	-2.0	-105.52	402.31	6.56	-98.96
CC1=C(S(=O)(=O)[N-]C2=C(C(C)C)N(CCC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000446066	0	49	-2.0	-104.19	413.67	6.68	-97.51
CC1=C(S(=O)(=O)[N-]C2=C(C(C)C)N(CCC(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000446067	0	49	-2.0	-107.55	419.29	7.43	-100.12
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C(C)C	REAL300000446068	0	49	-2.0	-96.62	415.20	7.56	-89.06
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C(C)C	REAL300000446069	0	46	-2.0	-98.81	402.94	6.65	-92.16
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C(C)C	REAL300000446070	0	49	-2.0	-100.51	417.06	7.59	-92.92
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(C)C	REAL300000446071	0	49	-2.0	-96.41	416.12	7.60	-88.81
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C(C)C	REAL300000446072	0	50	-2.0	-110.58	420.38	5.25	-105.33
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C(C)C	REAL300000446073	0	52	-2.0	-100.85	432.82	8.31	-92.54
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)N(CCC(C)C)N=C1	REAL300000446074	0	52	-2.0	-104.78	420.70	8.16	-96.62
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)N(CCC(C)C)N=C1	REAL300000446075	0	52	-2.0	-97.33	425.92	8.28	-89.05
CCN1C=C(S(=O)(=O)[N-]C2=C(C(C)C)N(CCC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000446076	0	53	-2.0	-109.23	438.69	7.75	-101.48
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)N(CCC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000446077	0	52	-2.0	-97.21	426.67	8.06	-89.15
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C(C)C	REAL300000446078	0	49	-2.0	-112.26	414.31	7.56	-104.70
CC(C)CCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C(C)C	REAL300000446079	0	48	-2.0	-107.49	406.87	5.66	-101.83
CCC1=C(S(=O)(=O)[N-]C2=C(C(C)C)N(CCC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000446080	0	52	-2.0	-104.35	432.01	7.39	-96.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=CC=C1F	REAL300000446081	1	28	-2.0	-93.08	308.99	6.11	-86.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1	REAL300000446082	1	28	-2.0	-83.62	304.44	6.08	-77.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=C1	REAL300000446083	1	28	-2.0	-94.99	304.46	6.07	-88.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(F)C(Cl)=C1	REAL300000446084	0	32	-2.0	-100.18	332.59	5.86	-94.32
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1	REAL300000446085	1	32	-2.0	-83.83	335.91	7.37	-76.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000446086	1	31	-2.0	-95.80	320.47	6.60	-89.20
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=C1	REAL300000446087	0	28	-2.0	-91.27	317.52	6.65	-84.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=CC=C1Cl	REAL300000446088	1	28	-2.0	-91.13	316.97	6.46	-84.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=C1C	REAL300000446089	1	34	-2.0	-98.19	336.84	7.39	-90.80
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=C1	REAL300000446090	0	28	-2.0	-92.22	309.92	6.14	-86.08
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1	REAL300000446091	1	34	-2.0	-82.88	348.03	7.66	-75.22
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=C1	REAL300000446092	0	25	-2.0	-89.71	297.63	5.09	-84.62
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(F)C(Cl)=C1	REAL300000446093	1	31	-2.0	-96.41	319.88	6.87	-89.54
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1	REAL300000446094	1	32	-2.0	-82.41	335.52	6.35	-76.06
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000446095	0	29	-2.0	-93.55	311.10	5.42	-88.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=C1	REAL300000446097	0	28	-2.0	-86.03	313.58	5.76	-80.27
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000446098	1	34	-2.0	-97.72	335.52	7.42	-90.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=CS1	REAL300000446099	0	25	-2.0	-91.12	296.10	5.11	-86.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000446100	1	32	-2.0	-100.80	331.74	6.14	-94.66
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(F)C(Cl)=C1	REAL300000446101	1	34	-2.0	-95.26	334.58	7.79	-87.47
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000446102	0	28	-2.0	-90.00	307.46	5.21	-84.79
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=C1	REAL300000446103	0	32	-2.0	-95.52	333.37	5.16	-90.36
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(F)C(Cl)=C1	REAL300000446104	1	31	-2.0	-87.46	325.16	6.89	-80.57
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000446105	0	28	-2.0	-93.24	313.07	5.97	-87.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C(Cl)=C1	REAL300000446106	0	28	-2.0	-81.43	317.50	6.64	-74.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1F	REAL300000446107	1	28	-2.0	-83.48	308.98	6.12	-77.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)S1	REAL300000446108	0	25	-2.0	-84.98	296.72	5.21	-79.77
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=C1	REAL300000446109	1	28	-2.0	-86.38	310.87	6.13	-80.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=C1F	REAL300000446110	0	31	-2.0	-93.35	330.22	6.77	-86.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C(F)=C1	REAL300000446111	0	28	-2.0	-82.65	309.90	6.15	-76.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1Cl	REAL300000446112	1	28	-2.0	-81.37	316.95	6.48	-74.89
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=C1	REAL300000446113	0	29	-2.0	-95.57	314.16	3.79	-91.78
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(Cl)=C(F)C(Cl)=C2)=C1	REAL300000446113	1	29	-2.0	-97.95	313.26	4.64	-93.31
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1	REAL300000446114	1	31	-2.0	-87.11	326.63	6.85	-80.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(F)C(Cl)=C1	REAL300000446115	1	31	-2.0	-92.34	318.29	6.80	-85.54
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=CC(C(=O)[O-])=C1F	REAL300000446116	1	31	-2.0	-94.15	329.29	6.72	-87.43
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(F)C(Cl)=C1	REAL300000446117	1	31	-2.0	-84.18	319.86	6.85	-77.33
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=CC(C(=O)[O-])=C1C	REAL300000446118	1	34	-2.0	-97.51	337.33	7.13	-90.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000446119	1	34	-2.0	-95.55	337.84	7.47	-88.08
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000446120	0	31	-2.0	-94.24	329.76	6.77	-87.47
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=C1	REAL300000446121	0	31	-2.0	-99.00	329.48	6.77	-92.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000446122	1	34	-2.0	-96.49	338.41	7.25	-89.24
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000446123	0	32	-2.0	-94.64	332.39	6.29	-88.35
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000446124	1	31	-2.0	-85.13	324.52	6.72	-78.41
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(F)C(Cl)=C1	REAL300000446125	1	31	-2.0	-94.35	324.40	6.89	-87.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=C1F	REAL300000446126	0	28	-2.0	-98.54	308.11	6.11	-92.43
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000446127	1	31	-2.0	-86.78	325.62	6.64	-80.14
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=C1	REAL300000446128	0	27	-2.0	-92.35	301.44	4.13	-88.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(F)C(Cl)=C1	REAL300000446129	0	32	-2.0	-87.41	332.65	5.87	-81.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)=C(Cl)O1	REAL300000446130	0	25	-2.0	-83.88	304.60	5.06	-78.82
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000446131	0	31	-2.0	-90.01	326.57	6.06	-83.95
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000446136	0	43	-2.0	-102.22	377.57	8.67	-93.55
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000446142	0	43	-2.0	-115.65	377.10	9.55	-106.10
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000446145	0	43	-2.0	-106.25	373.00	9.63	-96.62
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000446150	0	43	-2.0	-115.07	372.57	9.52	-105.55
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000446167	0	46	-2.0	-116.70	392.63	10.17	-106.53
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000446189	0	43	-2.0	-116.00	376.54	9.64	-106.36
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000446195	0	40	-2.0	-110.01	365.51	8.60	-101.41
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000446198	0	46	-2.0	-118.97	381.73	9.94	-109.03
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000446216	0	44	-2.0	-113.15	379.21	8.88	-104.27
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000446231	0	43	-2.0	-107.33	381.70	9.21	-98.12
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000446244	0	40	-2.0	-113.09	364.22	8.56	-104.53
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1[O-]	REAL300000446250	1	44	-2.0	-121.24	369.52	8.59	-112.65
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000446255	0	43	-2.0	-113.67	367.62	8.39	-105.28
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000446294	0	43	-2.0	-108.88	382.78	9.36	-99.52
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000446321	0	43	-2.0	-104.86	380.86	9.80	-95.06
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000446323	0	40	-2.0	-106.62	364.91	8.61	-98.01
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000446325	0	43	-2.0	-107.95	378.97	9.59	-98.36
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000446327	0	43	-2.0	-103.88	370.57	9.30	-94.58
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000446339	0	43	-3.0	-194.91	376.46	8.49	-186.42
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000446339	1	44	-2.0	-121.11	376.67	7.61	-113.50
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000446341	0	46	-2.0	-111.84	394.72	10.32	-101.52
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000446355	0	46	-2.0	-123.05	382.32	10.06	-112.99
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000446357	0	46	-2.0	-108.93	387.86	10.21	-98.72
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1[O-]	REAL300000446376	1	45	-2.0	-120.91	377.57	7.21	-113.70
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000446393	0	47	-2.0	-114.12	400.59	9.74	-104.38
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300000446431	1	43	-2.0	-106.15	390.01	5.58	-100.57
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000446456	0	46	-2.0	-104.75	392.32	10.31	-94.44
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=NC=C[N-]1	REAL300000446482	0	37	-2.0	-114.62	327.86	5.28	-109.34
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000446500	0	43	-2.0	-114.35	374.70	9.60	-104.75
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000446550	0	42	-2.0	-113.61	373.20	7.73	-105.88
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000446560	0	41	-2.0	-113.89	354.47	7.98	-105.91
CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000446696	0	46	-2.0	-107.74	394.17	9.28	-98.46
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(Br)=CNC2=O)=C1	REAL300000446718	0	29	-2.0	-110.06	294.68	0.84	-109.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Br)=CNC2=O)=C(Cl)O1	REAL300000446726	1	25	-2.0	-104.37	287.43	3.26	-101.11
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(=O)N1	REAL300000446760	0	34	-2.0	-110.88	315.26	2.81	-108.07
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(=O)N1	REAL300000446791	0	32	-2.0	-111.00	295.12	0.85	-110.15
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(=O)N1	REAL300000446799	1	31	-2.0	-104.94	303.40	2.68	-102.26
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C(=O)N1	REAL300000446800	1	28	-2.0	-103.92	304.25	2.24	-101.68
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C(=O)N1	REAL300000446813	0	31	-2.0	-103.43	317.27	3.10	-100.33
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(=O)N1	REAL300000446827	1	28	-2.0	-103.72	291.78	1.52	-102.20
CNS(=O)(=O)C1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300000446833	0	37	-2.0	-96.78	346.78	-0.31	-97.09
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300000446833	1	36	-3.0	-166.41	340.32	-0.18	-166.59
CNS(=O)(=O)C1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000446834	0	37	-2.0	-93.87	342.80	-0.20	-94.07
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1[O-]	REAL300000446835	0	33	-3.0	-175.04	333.52	-1.18	-176.22
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000446836	0	37	-3.0	-180.21	346.98	-0.84	-181.05
CNS(=O)(=O)C1=CC(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000446836	1	38	-2.0	-93.90	349.45	-0.85	-94.75
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000446837	0	33	-3.0	-175.99	331.99	-1.16	-177.15
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000446838	0	36	-3.0	-172.94	343.35	-1.06	-174.00
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1[O-]	REAL300000446839	0	33	-3.0	-168.00	332.61	-1.06	-169.06
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1[O-]	REAL300000446840	0	35	-3.0	-180.35	336.56	-2.07	-182.42
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2O1	REAL300000446841	0	39	-2.0	-113.62	347.56	6.27	-107.35
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2O1	REAL300000446842	0	39	-2.0	-103.38	343.01	6.24	-97.14
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2O1	REAL300000446843	0	39	-2.0	-116.75	343.02	6.23	-110.52
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C2	REAL300000446844	0	43	-2.0	-121.81	371.17	6.03	-115.78
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2O1	REAL300000446845	0	43	-2.0	-102.28	374.53	7.55	-94.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C=C1C(=O)[O-]	REAL300000446846	0	42	-2.0	-118.07	359.04	6.77	-111.30
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C2O1	REAL300000446847	0	39	-2.0	-111.29	356.10	6.82	-104.47
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2O1	REAL300000446848	0	39	-2.0	-112.20	355.54	6.63	-105.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)=C1C	REAL300000446849	0	45	-2.0	-118.46	376.14	7.58	-110.88
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2O1	REAL300000446850	0	39	-2.0	-113.74	348.51	6.30	-107.44
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2O1	REAL300000446851	0	45	-2.0	-101.75	386.60	7.81	-93.94
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2O1	REAL300000446852	0	36	-2.0	-110.67	336.21	5.25	-105.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C2	REAL300000446853	0	42	-2.0	-116.50	358.46	7.02	-109.48
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2O1	REAL300000446854	0	43	-2.0	-101.12	374.09	6.52	-94.60
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C=C1C(=O)[O-]	REAL300000446855	0	40	-2.0	-114.98	349.66	5.59	-109.39
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C2	REAL300000446856	0	43	-2.0	-116.52	367.23	5.05	-111.47
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)=C1	REAL300000446857	0	39	-2.0	-106.67	352.23	5.93	-100.74
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C=C1C(=O)[O-]	REAL300000446858	0	45	-2.0	-117.91	374.48	7.55	-110.36
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2O1	REAL300000446859	0	36	-2.0	-112.00	334.67	5.27	-106.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C=C1C(=O)[O-]	REAL300000446860	0	43	-2.0	-122.57	370.31	6.30	-116.27
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C2	REAL300000446861	0	48	-2.0	-118.92	396.93	8.24	-110.68
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C2	REAL300000446862	0	45	-2.0	-113.87	373.25	7.96	-105.91
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C2	REAL300000446863	0	46	-2.0	-123.07	393.46	6.80	-116.27
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=C2O1	REAL300000446864	0	41	-3.0	-194.54	371.42	6.81	-187.73
CC1(C)CC2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=C2O1	REAL300000446864	1	42	-2.0	-111.03	371.73	6.70	-104.33
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C2O1	REAL300000446865	0	46	-2.0	-121.17	387.36	8.13	-113.04
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C=C(C(=O)[O-])O1	REAL300000446866	0	39	-2.0	-109.46	346.04	5.38	-104.08
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)=C1	REAL300000446867	0	43	-2.0	-118.55	372.04	5.32	-113.23
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=C2O1	REAL300000446868	0	39	-2.0	-107.63	360.62	6.82	-100.81
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)=CC=C1OCC(=O)[O-]	REAL300000446869	0	46	-2.0	-101.67	394.19	7.21	-94.46
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C2	REAL300000446870	0	42	-2.0	-106.76	363.83	7.06	-99.70
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=C2O1	REAL300000446871	0	43	-2.0	-100.25	380.31	6.58	-93.67
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C=C1C(=O)[O-]	REAL300000446872	0	46	-2.0	-123.33	392.16	7.21	-116.12
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C=C(C(=O)[O-])S1	REAL300000446873	0	39	-2.0	-112.78	351.66	6.12	-106.66
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2O1	REAL300000446874	0	39	-2.0	-100.54	356.08	6.80	-93.74
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2O1	REAL300000446875	0	39	-2.0	-102.51	347.56	6.27	-96.24
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2O1	REAL300000446876	0	36	-2.0	-105.30	335.38	5.37	-99.93
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2O1	REAL300000446877	0	39	-2.0	-107.17	349.42	6.31	-100.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)=C1F	REAL300000446878	0	42	-2.0	-115.35	368.79	6.95	-108.40
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2O1	REAL300000446879	0	39	-2.0	-103.16	348.50	6.30	-96.86
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2O1	REAL300000446880	0	39	-2.0	-100.78	355.53	6.64	-94.14
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C2	REAL300000446881	0	42	-2.0	-108.51	372.57	7.44	-101.07
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C2O1	REAL300000446882	0	39	-2.0	-104.95	353.84	6.34	-98.61
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=C2O1	REAL300000446883	0	41	-2.0	-101.06	371.21	6.91	-94.15
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2O1	REAL300000446884	0	40	-2.0	-114.98	352.74	3.95	-111.03
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2O1	REAL300000446885	0	42	-2.0	-106.85	365.19	7.02	-99.83
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=C2O1	REAL300000446886	0	39	-2.0	-106.53	363.73	6.77	-99.76
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C2	REAL300000446887	0	42	-2.0	-113.08	353.07	6.87	-106.21
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)=CC(C(=O)[O-])=C1F	REAL300000446888	0	42	-2.0	-115.15	367.86	6.88	-108.27
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C2	REAL300000446889	0	42	-2.0	-103.04	358.54	7.01	-96.03
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)=CC(C(=O)[O-])=C1C	REAL300000446890	0	45	-2.0	-120.28	375.90	7.30	-112.98
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=C2O1	REAL300000446891	0	41	-2.0	-113.96	369.58	7.33	-106.63
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2O1	REAL300000446892	0	39	-2.0	-105.20	354.77	6.36	-98.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C(C)=C1C(=O)[O-]	REAL300000446893	0	45	-2.0	-117.32	377.51	7.62	-109.70
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C=C1C(=O)[O-]	REAL300000446894	0	42	-2.0	-116.08	368.44	6.93	-109.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)=C1Cl	REAL300000446895	0	42	-2.0	-113.24	374.79	7.39	-105.85
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)=C1	REAL300000446896	0	42	-2.0	-122.57	368.07	6.93	-115.64
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C=C1C(=O)[O-]	REAL300000446897	0	45	-2.0	-118.85	377.34	7.42	-111.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C=C1CC(=O)[O-]	REAL300000446898	0	46	-2.0	-119.73	393.50	6.36	-113.37
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C2	REAL300000446899	0	42	-2.0	-105.96	369.38	7.42	-98.54
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)=CC(C(=O)[O-])=C1Cl	REAL300000446900	0	42	-2.0	-114.15	374.24	7.19	-106.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C=C1C(=O)[O-]	REAL300000446901	0	43	-2.0	-116.35	371.05	6.45	-109.90
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C=C1C(=O)[O-]	REAL300000446902	0	42	-2.0	-110.07	372.88	7.20	-102.87
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)=CC=C1C(=O)[O-]	REAL300000446903	0	42	-2.0	-103.64	359.03	6.78	-96.86
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C2	REAL300000446904	0	42	-2.0	-113.65	362.65	7.07	-106.58
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=C2O1	REAL300000446905	0	41	-2.0	-124.60	366.76	8.08	-116.52
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2O1	REAL300000446906	0	39	-2.0	-121.72	346.75	6.26	-115.46
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C=C1C(=O)[O-]	REAL300000446907	0	42	-2.0	-108.33	364.18	6.81	-101.52
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=C2O1	REAL300000446908	0	45	-2.0	-125.41	384.06	8.35	-117.06
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2O1	REAL300000446909	0	38	-2.0	-113.09	340.11	4.30	-108.79
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C2	REAL300000446910	0	43	-2.0	-107.78	371.23	6.04	-101.74
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2O1	REAL300000446911	0	36	-2.0	-103.32	343.18	5.22	-98.10
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C2O1	REAL300000446912	0	46	-2.0	-109.87	389.14	8.12	-101.75
CC1(C)CC2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C2O1	REAL300000446913	0	46	-2.0	-113.96	387.11	8.11	-105.85
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C3)C=C(C(=O)[O-])O1	REAL300000446914	0	42	-2.0	-108.90	365.16	6.23	-102.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CC=C4)=NC3=C2)C=C1	REAL300000446915	1	41	-2.0	-102.31	371.02	7.58	-94.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CC=C4)=NC3=C2)=C1	REAL300000446916	1	41	-2.0	-114.82	371.05	7.57	-107.25
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CC=C4)=NC3=C2)=C1	REAL300000446917	0	38	-2.0	-109.07	364.23	6.60	-102.47
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CC=C4)NC3=C2)=C1	REAL300000446917	1	38	-2.0	-104.61	364.13	6.60	-98.01
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CC=C4)=NC3=C2)C=C1C(=O)[O-]	REAL300000446918	0	42	-2.0	-113.30	377.68	6.93	-106.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CC=C4)=NC3=C2)=CS1	REAL300000446919	0	38	-2.0	-110.52	362.70	6.61	-103.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CC=C4)NC3=C2)=CS1	REAL300000446919	1	38	-2.0	-106.13	362.60	6.62	-99.51
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CC=C4)=NC3=C2)C=C(C(=O)[O-])O1	REAL300000446920	0	41	-2.0	-107.98	374.05	6.72	-101.26
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CC=C4)NC3=C2)C=C(C(=O)[O-])O1	REAL300000446920	1	41	-2.0	-104.47	373.96	6.73	-97.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CC=C4)=NC3=C2)S1	REAL300000446921	0	38	-2.0	-104.04	363.32	6.71	-97.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CC=C4)NC3=C2)S1	REAL300000446921	1	38	-2.0	-99.64	363.22	6.71	-92.93
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CC=C4)=NC3=C2)=C1	REAL300000446922	0	40	-2.0	-112.43	367.26	5.71	-106.72
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CC=C4)NC3=C2)=C1	REAL300000446922	1	40	-2.0	-107.88	367.17	5.71	-102.17
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CNC(=O)C=C2)=C1F	REAL300000446943	1	28	-2.0	-93.81	295.28	2.50	-91.31
O=C([O-])C1=CC(S(=O)(=O)NC2=CNC(=O)C=C2)=CC(C(=O)[O-])=C1	REAL300000446953	0	31	-2.0	-111.02	294.41	2.01	-109.01
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CNC(=O)C=C2)=C1	REAL300000446985	0	29	-2.0	-102.88	274.32	0.10	-102.78
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CNC(=O)C=C2)=C1	REAL300000446995	1	28	-2.0	-89.15	282.23	2.04	-87.11
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CNC(=O)C=C2)S1	REAL300000446996	1	25	-2.0	-86.28	282.93	1.55	-84.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CNC(=O)C=C2)=C(F)C(Cl)=C1F	REAL300000447012	0	28	-2.0	-88.41	296.10	2.46	-85.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CNC(=O)C=C2)=C(Cl)O1	REAL300000447025	1	25	-2.0	-87.48	270.46	0.83	-86.65
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000447031	0	36	-2.0	-81.66	348.62	4.10	-77.56
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000447032	0	29	-2.0	-97.45	296.69	5.54	-91.91
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C#N	REAL300000447033	0	37	-2.0	-96.51	351.79	6.60	-89.91
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000447034	0	29	-2.0	-88.21	292.15	5.52	-82.69
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000447035	0	29	-2.0	-99.28	292.16	5.51	-93.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C#N	REAL300000447036	0	33	-2.0	-102.57	320.31	5.31	-97.26
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000447037	0	29	-2.0	-94.93	308.40	6.00	-88.93
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000447038	0	33	-2.0	-87.39	323.61	6.81	-80.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C1C(=O)[O-]	REAL300000447039	0	32	-2.0	-100.13	308.21	6.04	-94.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)=C1C	REAL300000447040	0	35	-2.0	-100.42	325.29	6.84	-93.58
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000447041	0	29	-2.0	-95.32	297.63	5.58	-89.74
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000447042	0	35	-2.0	-86.14	335.74	7.10	-79.04
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000447043	0	26	-2.0	-94.22	285.35	4.53	-89.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C#N	REAL300000447044	0	32	-2.0	-98.65	307.61	6.31	-92.34
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000447045	0	33	-2.0	-86.11	323.24	5.79	-80.32
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C1C(=O)[O-]	REAL300000447046	0	30	-2.0	-97.86	298.81	4.87	-92.99
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C#N	REAL300000447047	0	33	-2.0	-99.30	315.95	4.35	-94.95
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)=C1	REAL300000447048	0	29	-2.0	-90.72	301.24	5.20	-85.52
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C1C(=O)[O-]	REAL300000447049	0	35	-2.0	-101.05	327.61	6.95	-94.10
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000447050	0	26	-2.0	-95.43	283.81	4.56	-90.87
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)=CC(C(=O)[O-])=C1OC	REAL300000447051	0	37	-2.0	-100.32	350.47	5.32	-95.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C1C(=O)[O-]	REAL300000447052	0	33	-2.0	-105.10	319.45	5.58	-99.52
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000447053	0	39	-2.0	-102.11	347.39	8.14	-93.97
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C#N	REAL300000447054	0	38	-2.0	-100.46	346.06	7.53	-92.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C#N	REAL300000447055	0	35	-2.0	-96.96	321.89	7.21	-89.75
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C#N	REAL300000447056	0	36	-2.0	-104.04	342.62	6.08	-97.96
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000447057	0	31	-3.0	-174.37	320.56	6.08	-168.29
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000447058	0	36	-2.0	-102.41	336.41	7.41	-95.00
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000447059	0	29	-2.0	-93.42	295.15	4.66	-88.76
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000447060	0	35	-2.0	-104.21	334.33	5.29	-98.92
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)=C1	REAL300000447061	0	33	-2.0	-101.80	321.08	4.61	-97.19
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000447062	0	37	-2.0	-86.29	345.08	6.12	-80.17
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000447063	0	29	-2.0	-89.69	319.83	6.37	-83.32
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000447064	0	33	-2.0	-85.01	339.27	6.34	-78.67
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)=CC=C1OCC(=O)[O-]	REAL300000447065	0	36	-2.0	-86.56	343.32	6.51	-80.05
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000447066	0	39	-2.0	-85.55	371.91	6.76	-78.79
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C#N	REAL300000447067	0	32	-2.0	-90.35	312.88	6.33	-84.02
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)=CC=C1OCCCC(=O)[O-]	REAL300000447068	0	42	-2.0	-86.30	385.79	7.43	-78.87
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000447069	0	33	-2.0	-86.10	329.46	5.86	-80.24
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C1C(=O)[O-]	REAL300000447070	0	36	-2.0	-105.66	341.26	6.50	-99.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C(C(=O)[O-])S1	REAL300000447071	0	29	-2.0	-95.87	301.84	5.41	-90.46
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000447072	0	29	-2.0	-88.56	320.39	6.52	-82.04
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000447073	0	29	-2.0	-85.97	305.21	6.08	-79.89
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000447074	0	29	-2.0	-85.62	308.56	6.22	-79.40
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000447075	0	29	-2.0	-88.13	296.70	5.56	-82.57
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000447076	0	26	-2.0	-89.65	284.42	4.64	-85.01
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000447077	0	29	-2.0	-90.79	298.58	5.58	-85.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)=C1F	REAL300000447078	0	32	-2.0	-96.47	317.89	6.21	-90.26
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)=C(Cl)C=C1C(=O)[O-]	REAL300000447079	0	33	-2.0	-90.82	332.43	6.14	-84.68
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000447080	0	29	-2.0	-87.53	297.62	5.59	-81.94
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000447081	0	29	-2.0	-85.93	304.66	5.92	-80.01
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C#N	REAL300000447082	0	32	-2.0	-91.79	321.61	6.73	-85.06
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000447083	0	37	-2.0	-84.25	355.90	6.93	-77.32
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000447084	0	29	-2.0	-85.48	308.40	6.01	-79.47
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000447085	0	31	-2.0	-85.33	320.35	6.18	-79.15
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000447086	0	29	-3.0	-191.47	298.30	4.11	-187.36
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000447086	1	30	-2.0	-97.07	301.88	3.22	-93.85
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000447087	0	32	-2.0	-90.10	314.34	6.29	-83.81
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000447088	0	29	-2.0	-90.90	312.87	6.05	-84.85
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C#N	REAL300000447089	0	32	-2.0	-96.97	302.20	6.15	-90.82
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)=CC(C(=O)[O-])=C1F	REAL300000447090	0	32	-2.0	-98.58	317.00	6.17	-92.41
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C#N	REAL300000447091	0	32	-2.0	-88.36	307.57	6.30	-82.06
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)=CC(C(=O)[O-])=C1C	REAL300000447092	0	35	-2.0	-101.84	325.02	6.59	-95.25
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000447093	0	31	-2.0	-99.01	318.73	6.61	-92.40
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000447094	0	29	-2.0	-87.95	303.89	5.64	-82.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C(C)=C1C(=O)[O-]	REAL300000447095	0	35	-2.0	-101.52	325.67	6.92	-94.60
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C1C(=O)[O-]	REAL300000447096	0	32	-2.0	-97.23	317.45	6.22	-91.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)=C1Cl	REAL300000447097	0	32	-2.0	-95.51	323.88	6.66	-88.85
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)=C1	REAL300000447098	0	32	-2.0	-105.20	317.22	6.20	-99.00
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C1C(=O)[O-]	REAL300000447099	0	35	-2.0	-100.77	326.13	6.70	-94.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C1CC(=O)[O-]	REAL300000447100	0	36	-2.0	-103.04	342.63	5.65	-97.39
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C#N	REAL300000447101	0	32	-2.0	-90.39	318.43	6.69	-83.70
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000447102	0	32	-2.0	-85.06	322.29	6.33	-78.73
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)=CC(C(=O)[O-])=C1Cl	REAL300000447103	0	32	-2.0	-97.13	323.38	6.47	-90.66
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000447104	0	29	-2.0	-92.53	313.46	6.13	-86.40
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C1C(=O)[O-]	REAL300000447105	0	33	-2.0	-99.13	320.18	5.74	-93.39
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000447106	0	29	-2.0	-87.10	317.77	6.07	-81.03
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C1C(=O)[O-]	REAL300000447107	0	32	-2.0	-92.75	322.02	6.48	-86.27
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C1C(=O)[O-]	REAL300000447108	0	33	-2.0	-99.45	332.48	6.14	-93.31
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)=CC=C1C(=O)[O-]	REAL300000447109	0	32	-2.0	-89.82	312.23	6.16	-83.66
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000447110	0	34	-2.0	-91.25	335.41	7.70	-83.55
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C#N	REAL300000447111	0	32	-2.0	-96.66	312.12	6.33	-90.33
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000447112	0	31	-2.0	-107.71	315.89	7.37	-100.34
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000447113	0	29	-2.0	-104.63	295.82	5.55	-99.08
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C1C(=O)[O-]	REAL300000447114	0	32	-2.0	-91.22	313.32	6.09	-85.13
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000447115	0	35	-2.0	-107.29	333.20	7.63	-99.66
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000447116	0	28	-2.0	-96.90	288.38	3.64	-93.26
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C#N	REAL300000447117	0	33	-2.0	-91.63	320.38	5.31	-86.32
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000447118	0	26	-2.0	-88.06	292.26	4.49	-83.57
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000447119	0	36	-2.0	-93.39	338.29	7.40	-85.99
N#CC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000447120	0	36	-2.0	-98.04	336.25	7.38	-90.66
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000447121	0	32	-2.0	-93.10	314.27	5.51	-87.59
CN(CC(N)=O)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000447122	1	42	-2.0	-112.37	376.30	2.29	-110.08
CN(CC(N)=O)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000447123	1	42	-2.0	-124.95	376.30	2.28	-122.67
CN(CC(N)=O)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000447124	0	39	-2.0	-119.13	369.48	1.30	-117.83
CN(CC(N)=O)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000447125	0	43	-2.0	-123.41	382.95	1.64	-121.77
CN(CC(N)=O)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000447126	0	39	-2.0	-108.46	367.94	1.32	-107.14
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)CC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000447127	0	42	-2.0	-118.40	377.47	1.40	-117.00
CN(CC(N)=O)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000447128	0	39	-2.0	-114.16	368.57	1.41	-112.75
CN(CC(N)=O)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000447129	0	41	-2.0	-120.52	373.28	0.34	-120.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C(F)F)SC3=C2)C=C1	REAL300000447130	1	33	-2.0	-89.00	332.38	5.46	-83.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C(F)F)SC3=C2)=C1	REAL300000447131	1	33	-2.0	-100.64	332.39	5.45	-95.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C(F)F)SC3=C2)C=C1C(=O)[O-]	REAL300000447132	1	36	-2.0	-101.60	348.41	5.98	-95.62
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3N=C(C(F)F)SC3=C2)=C1	REAL300000447133	0	30	-2.0	-95.18	325.57	4.47	-90.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=C(C(F)F)SC2=C1	REAL300000447134	1	36	-2.0	-101.32	347.83	6.23	-95.09
CN1C=C(S(=O)(=O)[N-]C2=CC=C3N=C(C(F)F)SC3=C2)C=C1C(=O)[O-]	REAL300000447135	0	34	-2.0	-99.09	339.03	4.80	-94.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C(F)F)SC3=C2)=CS1	REAL300000447136	0	30	-2.0	-96.60	324.04	4.48	-92.12
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C(F)F)SC3=C2)C=C(C(=O)[O-])O1	REAL300000447137	0	33	-2.0	-94.87	335.40	4.59	-90.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C(F)F)SC3=C2)S1	REAL300000447138	0	30	-2.0	-90.49	324.65	4.58	-85.91
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(C(F)F)SC3=C2)C=C1	REAL300000447139	1	36	-2.0	-93.01	354.57	6.24	-86.77
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2N=C(C(F)F)SC2=C1	REAL300000447140	1	36	-2.0	-97.32	342.46	6.09	-91.23
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2N=C(C(F)F)SC2=C1	REAL300000447141	1	36	-2.0	-90.92	347.23	6.24	-84.68
CC1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(C(F)F)SC3=C2)=CC=C1C(=O)[O-]	REAL300000447142	1	36	-2.0	-89.00	348.40	6.00	-83.00
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3N=C(C(F)F)SC3=C2)=C1	REAL300000447143	0	32	-2.0	-99.31	328.81	3.52	-95.79
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1	REAL300000447144	0	40	-2.0	-83.92	364.40	1.08	-82.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=CC=C1F	REAL300000447145	1	33	-2.0	-98.98	312.47	2.52	-96.46
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CNC2=O	REAL300000447146	0	41	-2.0	-100.58	367.55	3.59	-96.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1	REAL300000447147	1	33	-2.0	-89.63	307.92	2.50	-87.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1	REAL300000447148	1	33	-2.0	-101.09	307.94	2.49	-98.60
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CNC2=O	REAL300000447149	0	37	-2.0	-106.68	336.08	2.29	-104.39
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1	REAL300000447150	1	37	-2.0	-89.61	339.39	3.79	-85.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1C(=O)[O-]	REAL300000447151	1	36	-2.0	-102.00	323.95	3.03	-98.97
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1	REAL300000447152	0	33	-2.0	-97.30	321.00	3.06	-94.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=CC=C1Cl	REAL300000447153	1	33	-2.0	-97.16	320.44	2.89	-94.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1C	REAL300000447154	1	39	-2.0	-104.82	340.60	3.83	-100.99
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1	REAL300000447155	0	33	-2.0	-98.53	313.41	2.56	-95.97
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1	REAL300000447156	1	39	-2.0	-88.64	351.51	4.07	-84.57
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1	REAL300000447157	0	30	-2.0	-95.78	301.12	1.51	-94.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CNC2=O	REAL300000447158	1	36	-2.0	-102.78	323.37	3.27	-99.51
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1	REAL300000447159	1	37	-2.0	-88.27	339.01	2.78	-85.49
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1C(=O)[O-]	REAL300000447160	0	34	-2.0	-99.57	314.58	1.84	-97.73
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CNC2=O	REAL300000447161	1	37	-2.0	-103.27	332.14	1.30	-101.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1	REAL300000447162	0	33	-2.0	-92.07	317.04	2.17	-89.90
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1C(=O)[O-]	REAL300000447163	1	39	-2.0	-103.88	339.39	3.79	-100.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=CS1	REAL300000447164	0	30	-2.0	-97.10	299.60	1.53	-95.57
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=CC(C(=O)[O-])=C1OC	REAL300000447165	1	41	-2.0	-101.54	366.26	2.30	-99.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1C(=O)[O-]	REAL300000447166	1	37	-2.0	-106.88	335.21	2.56	-104.32
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1	REAL300000447167	1	43	-2.0	-106.15	363.17	5.12	-101.03
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CNC2=O	REAL300000447168	1	42	-2.0	-104.63	361.83	4.49	-100.14
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CNC2=O	REAL300000447169	1	39	-2.0	-101.42	338.06	4.21	-97.21
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CNC2=O	REAL300000447170	0	40	-2.0	-106.23	358.36	3.05	-103.18
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2CNC3=O)=CC(C(=O)[O-])=C1	REAL300000447171	0	36	-2.0	-111.16	336.65	2.96	-108.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=CC(C(=O)[O-])=C1	REAL300000447171	1	35	-3.0	-173.90	336.34	3.06	-170.84
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1	REAL300000447172	1	40	-2.0	-106.49	352.20	4.38	-102.11
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C(C(=O)[O-])O1	REAL300000447173	0	33	-2.0	-96.24	310.94	1.63	-94.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CNC(=O)C3=CC=C2)=CC2=C1OCCO2	REAL300000447174	1	39	-2.0	-105.66	350.11	2.27	-103.39
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1	REAL300000447175	0	37	-2.0	-101.04	336.86	1.58	-99.46
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=C4CNC(=O)C4=CC=C3)C=C2C1	REAL300000447176	1	41	-2.0	-89.29	361.57	3.10	-86.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C(Cl)C=C1F	REAL300000447177	0	33	-2.0	-94.48	325.53	3.07	-91.41
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1Cl	REAL300000447178	1	37	-2.0	-87.08	355.03	3.32	-83.76
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=CC=C1OCC(=O)[O-]	REAL300000447179	1	40	-2.0	-88.64	359.09	3.48	-85.16
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CNC2=O	REAL300000447180	1	36	-2.0	-93.76	328.64	3.30	-90.46
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1F	REAL300000447181	1	37	-2.0	-88.15	345.23	2.84	-85.31
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1C(=O)[O-]	REAL300000447182	1	40	-2.0	-107.59	357.07	3.47	-104.12
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C(C(=O)[O-])S1	REAL300000447183	0	33	-2.0	-99.33	317.63	2.38	-96.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C(Cl)=C1	REAL300000447184	0	33	-2.0	-87.23	320.98	3.05	-84.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1F	REAL300000447185	1	33	-2.0	-89.38	312.47	2.53	-86.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)S1	REAL300000447186	0	30	-2.0	-90.97	300.19	1.62	-89.35
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1	REAL300000447187	0	33	-2.0	-92.37	314.34	2.56	-89.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1F	REAL300000447188	0	36	-2.0	-99.80	333.69	3.20	-96.60
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C(Cl)C=C1C(=O)[O-]	REAL300000447189	0	37	-2.0	-91.87	348.24	3.11	-88.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C(F)=C1	REAL300000447190	0	33	-2.0	-88.61	313.40	2.56	-86.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1Cl	REAL300000447191	1	33	-2.0	-87.30	320.44	2.90	-84.40
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CNC2=O	REAL300000447192	1	36	-2.0	-95.31	337.38	3.67	-91.64
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1	REAL300000447193	0	41	-2.0	-86.78	371.67	3.90	-82.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=CC(F)=C1F	REAL300000447194	1	33	-2.0	-91.06	318.76	2.59	-88.47
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1	REAL300000447195	0	35	-2.0	-86.84	336.12	3.16	-83.68
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1	REAL300000447196	0	34	-2.0	-102.07	317.65	0.20	-101.87
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC3=C2CNC3=O)=C1	REAL300000447196	1	34	-2.0	-102.85	311.90	1.04	-101.81
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1	REAL300000447197	1	36	-2.0	-92.79	330.11	3.27	-89.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=CC(Cl)=C1F	REAL300000447198	1	33	-2.0	-92.31	328.64	3.02	-89.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CNC2=O	REAL300000447199	1	36	-2.0	-96.78	318.00	3.12	-93.66
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=CC(C(=O)[O-])=C1F	REAL300000447200	1	36	-2.0	-100.25	332.77	3.14	-97.11
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CNC2=O	REAL300000447201	1	36	-2.0	-90.08	323.35	3.25	-86.83
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=CC(C(=O)[O-])=C1C	REAL300000447202	1	39	-2.0	-105.00	344.76	3.66	-101.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=CC=C1[N+](=O)[O-]	REAL300000447203	0	35	-2.0	-100.40	334.49	3.58	-96.82
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1	REAL300000447204	0	33	-2.0	-90.45	319.69	2.61	-87.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C(C)=C1C(=O)[O-]	REAL300000447205	1	39	-2.0	-100.92	342.41	3.87	-97.05
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1C(=O)[O-]	REAL300000447206	0	36	-2.0	-99.46	329.41	3.09	-96.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1Cl	REAL300000447207	0	36	-2.0	-98.91	339.69	3.62	-95.29
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1	REAL300000447208	0	36	-2.0	-104.86	332.97	3.18	-101.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1C(=O)[O-]	REAL300000447209	1	39	-2.0	-102.57	342.17	3.68	-98.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1CC(=O)[O-]	REAL300000447210	1	40	-2.0	-103.20	358.40	2.62	-100.58
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CNC2=O	REAL300000447211	1	36	-2.0	-90.57	334.20	3.66	-86.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=CC(C(=O)[O-])=C1Cl	REAL300000447212	1	36	-2.0	-98.78	339.16	3.45	-95.33
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1C(=O)[O-]	REAL300000447213	0	37	-2.0	-100.79	335.89	2.69	-98.10
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C(C)=C1CC(=O)[O-]	REAL300000447214	1	45	-2.0	-100.27	373.08	5.36	-94.91
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1C(=O)[O-]	REAL300000447215	1	36	-2.0	-94.45	337.81	3.46	-90.99
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C(C(=O)[O-])S1	REAL300000447216	0	42	-2.0	-99.20	357.37	4.63	-94.57
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1C(=O)[O-]	REAL300000447217	0	37	-2.0	-102.90	348.26	3.12	-99.78
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=CC=C1C(=O)[O-]	REAL300000447218	1	36	-2.0	-89.55	323.94	3.04	-86.51
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C([N+](=O)[O-])=C1	REAL300000447219	0	38	-2.0	-93.19	351.20	4.69	-88.50
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CNC2=O	REAL300000447220	1	36	-2.0	-100.91	327.47	3.33	-97.58
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=C3CNC(=O)C3=CC=C2)=CC=C1	REAL300000447221	0	35	-2.0	-107.23	331.66	4.34	-102.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1F	REAL300000447222	0	33	-2.0	-104.17	311.59	2.53	-101.64
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C1C(=O)[O-]	REAL300000447223	1	36	-2.0	-92.94	329.11	3.07	-89.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CNC(=O)C3=CC=C2)=CC2=CC=CC=C21	REAL300000447224	1	39	-2.0	-108.69	348.98	4.61	-104.08
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C1	REAL300000447225	0	32	-2.0	-98.83	304.92	0.55	-98.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CNC2=O	REAL300000447226	0	37	-2.0	-93.38	336.13	2.29	-91.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)=C(Cl)O1	REAL300000447227	0	30	-2.0	-89.96	308.03	1.48	-88.48
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C4CNC(=O)C4=CC=C3)C=C2)CC1	REAL300000447228	1	40	-2.0	-96.09	354.06	4.38	-91.71
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C4CNC(=O)C4=CC=C3)C=C2C1	REAL300000447229	1	40	-2.0	-97.96	353.37	4.38	-93.58
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CNC3=O)C=C(C(=O)[O-])O1	REAL300000447230	0	36	-2.0	-96.17	330.06	2.48	-93.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=CC=C1F	REAL300000447231	1	38	-2.0	-108.79	344.40	8.45	-100.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C1	REAL300000447232	1	38	-2.0	-98.65	339.86	8.43	-90.22
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447233	1	38	-2.0	-111.66	339.86	8.42	-103.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000447234	0	42	-2.0	-116.91	368.01	8.22	-108.69
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C1	REAL300000447235	1	42	-2.0	-97.99	371.33	9.71	-88.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000447236	1	41	-2.0	-112.86	355.88	8.95	-103.91
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447237	0	38	-2.0	-106.79	352.93	8.99	-97.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=CC=C1Cl	REAL300000447238	1	38	-2.0	-107.23	352.38	8.81	-98.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1C	REAL300000447239	1	44	-2.0	-114.18	372.54	9.77	-104.41
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447240	0	38	-2.0	-108.66	345.34	8.48	-100.18
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C1	REAL300000447241	1	44	-2.0	-97.21	383.43	10.01	-87.20
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447242	0	35	-2.0	-105.61	333.05	7.43	-98.18
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000447243	1	41	-2.0	-111.97	355.29	9.21	-102.76
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000447245	0	39	-2.0	-109.92	346.51	7.77	-102.15
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447247	0	38	-2.0	-101.65	348.98	8.10	-93.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=CS1	REAL300000447249	0	35	-2.0	-107.14	331.51	7.45	-99.69
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000447251	1	47	-2.0	-114.26	393.77	10.43	-103.83
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000447252	1	44	-2.0	-110.09	370.00	10.14	-99.95
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000447253	0	45	-2.0	-116.42	390.29	8.97	-107.45
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447254	0	41	-2.0	-110.12	370.89	8.96	-101.16
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447254	1	40	-3.0	-188.52	368.27	8.98	-179.54
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447255	1	45	-2.0	-116.39	384.11	10.31	-106.08
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000447256	0	38	-2.0	-104.83	342.87	7.55	-97.28
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447257	0	42	-2.0	-112.66	368.85	7.51	-105.15
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000447259	1	41	-2.0	-102.32	360.57	9.24	-93.08
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C(C(=O)[O-])S1	REAL300000447261	1	38	-2.0	-108.32	348.46	8.31	-100.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C(Cl)=C1	REAL300000447262	0	38	-2.0	-96.12	352.91	8.98	-87.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C1F	REAL300000447263	1	38	-2.0	-97.98	344.39	8.46	-89.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)S1	REAL300000447264	0	35	-2.0	-100.43	332.13	7.54	-92.89
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447265	1	38	-2.0	-102.22	346.27	8.49	-93.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1F	REAL300000447266	0	41	-2.0	-110.15	365.62	9.12	-101.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C(F)=C1	REAL300000447267	0	38	-2.0	-98.29	345.33	8.49	-89.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C1Cl	REAL300000447268	1	38	-2.0	-96.18	352.36	8.82	-87.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=CC(F)=C1F	REAL300000447269	1	38	-2.0	-100.10	350.68	8.51	-91.59
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447270	0	40	-2.0	-96.12	368.06	9.08	-87.04
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447271	0	39	-2.0	-110.64	349.58	6.12	-104.52
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447271	1	39	-2.0	-108.19	348.68	7.00	-101.19
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C1	REAL300000447272	1	41	-2.0	-102.08	362.03	9.20	-92.88
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000447273	1	41	-2.0	-108.04	349.93	9.06	-98.98
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=CC(C(=O)[O-])=C1F	REAL300000447274	1	41	-2.0	-110.19	364.70	9.07	-101.12
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=CC(C(=O)[O-])=C1C	REAL300000447276	1	44	-2.0	-114.87	372.75	9.49	-105.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=CC=C1[N+](=O)[O-]	REAL300000447277	0	40	-2.0	-109.37	366.44	9.52	-99.85
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447278	0	38	-2.0	-100.16	351.62	8.55	-91.61
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000447280	0	41	-2.0	-111.05	365.18	9.12	-101.93
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447281	0	41	-2.0	-117.15	364.90	9.11	-108.04
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000447282	1	44	-2.0	-113.64	373.80	9.60	-104.04
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000447284	0	42	-2.0	-111.23	367.88	8.64	-102.59
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000447285	1	41	-2.0	-98.86	355.87	8.96	-89.90
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1[N+](=O)[O-]	REAL300000447287	0	40	-2.0	-119.35	363.58	10.28	-109.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1F	REAL300000447288	0	38	-2.0	-116.33	343.53	8.45	-107.88
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000447289	1	41	-2.0	-104.10	364.80	9.10	-95.00
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000447290	0	37	-2.0	-109.40	336.08	6.55	-102.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000447291	0	42	-2.0	-103.08	368.06	8.22	-94.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)=C(Cl)O1	REAL300000447292	0	35	-2.0	-98.71	340.01	7.40	-91.31
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=CC=CC=C4)=C3)C=C2)CC1	REAL300000447293	1	45	-2.0	-105.13	385.99	10.31	-94.82
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=CC=CC=C4)=C3)C=C2C1	REAL300000447294	1	45	-2.0	-109.69	385.30	10.31	-99.38
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000447295	0	41	-2.0	-104.49	362.00	8.40	-96.09
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)N=NN1CC1=CC=CC=C1F	REAL300000447296	0	40	-2.0	-107.85	373.65	6.85	-101.00
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)N=NN1CC1=CC=CC=C1F	REAL300000447297	0	40	-2.0	-120.40	373.70	6.86	-113.54
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)N=NN1CC1=CC=CC=C1F	REAL300000447298	0	37	-2.0	-115.00	366.86	5.87	-109.13
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)N=NN1CC1=CC=CC=C1F	REAL300000447299	0	41	-2.0	-119.20	380.32	6.20	-113.00
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)N=NN1CC1=CC=CC=C1F	REAL300000447300	0	37	-2.0	-116.11	365.33	5.88	-110.23
CC1=C(S(=O)(=O)[N-]C2=C(C)N(CC3=CC=CC=C3F)N=N2)C=C(C(=O)[O-])O1	REAL300000447301	0	40	-2.0	-115.63	376.79	5.99	-109.64
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)N=NN1CC1=CC=CC=C1F	REAL300000447302	0	37	-2.0	-109.45	365.96	6.00	-103.45
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)N=NN1CC1=CC=CC=C1F	REAL300000447303	0	39	-2.0	-119.81	370.65	4.91	-114.90
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2C)=NO1	REAL300000447304	0	38	-2.0	-117.16	364.31	2.38	-114.78
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2C)=NO1	REAL300000447305	0	38	-2.0	-106.80	359.77	2.36	-104.44
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2C)=NO1	REAL300000447306	0	38	-2.0	-120.04	359.78	2.35	-117.69
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2C)=NO1	REAL300000447307	0	41	-2.0	-121.06	375.81	2.88	-118.18
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2C)=NO1	REAL300000447308	0	38	-2.0	-118.01	365.25	2.41	-115.60
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2C)=NO1	REAL300000447309	0	35	-2.0	-113.42	352.98	1.37	-112.05
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2C)=NO1	REAL300000447310	0	41	-2.0	-121.20	375.22	3.13	-118.07
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2C)=NO1	REAL300000447311	0	39	-2.0	-118.21	366.42	1.71	-116.50
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=C2C)=NO1	REAL300000447312	0	38	-2.0	-109.84	368.90	2.05	-107.79
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2C)=NO1	REAL300000447313	0	35	-2.0	-115.42	351.43	1.38	-114.04
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2C)=NO1	REAL300000447314	0	38	-2.0	-113.09	363.73	1.53	-111.56
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=C2C)=NO1	REAL300000447315	0	38	-2.0	-117.15	369.48	2.24	-114.91
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2C)=NO1	REAL300000447316	0	38	-2.0	-106.37	364.30	2.39	-103.98
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2C)=NO1	REAL300000447317	0	35	-2.0	-108.20	352.98	1.53	-106.67
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2C)=NO1	REAL300000447318	0	38	-2.0	-110.52	366.18	2.42	-108.10
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2C)=NO1	REAL300000447319	0	38	-2.0	-106.23	365.24	2.42	-103.81
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2C)=NO1	REAL300000447320	0	39	-2.0	-120.34	369.50	0.07	-120.27
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2C)=NO1	REAL300000447321	0	41	-2.0	-111.17	381.97	3.14	-108.03
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2C)=NO1	REAL300000447322	0	41	-2.0	-115.11	369.84	2.99	-112.12
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=C2C)=NO1	REAL300000447323	0	41	-2.0	-107.59	375.19	3.12	-104.47
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(CC3=NOC(C)=N3)N=N2)C=C1C(=O)[O-]	REAL300000447324	0	42	-2.0	-119.51	387.81	2.57	-116.94
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2C)=NO1	REAL300000447325	0	41	-2.0	-107.12	375.79	2.89	-104.23
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2C)=NO1	REAL300000447326	0	38	-2.0	-123.12	363.44	2.38	-120.74
CC1=NC(CN2N=NC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2C)=NO1	REAL300000447327	0	37	-2.0	-117.54	356.77	0.41	-117.13
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(CC3=NOC(C)=N3)N=N2)C=C(C(=O)[O-])O1	REAL300000447328	0	41	-2.0	-113.34	381.91	2.35	-110.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)=CC=C1F	REAL300000447329	1	36	-2.0	-109.87	335.32	2.64	-107.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)C=C1	REAL300000447330	1	36	-2.0	-99.99	330.77	2.61	-97.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)=C1	REAL300000447331	1	36	-2.0	-112.35	330.80	2.59	-109.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000447332	1	39	-2.0	-114.88	350.88	3.25	-111.63
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)=C1	REAL300000447333	0	36	-2.0	-109.69	336.26	2.67	-107.02
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)=C1	REAL300000447334	0	33	-2.0	-106.64	323.97	1.62	-105.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C(=O)NNC2=O)C=C1	REAL300000447335	1	39	-2.0	-113.69	346.22	3.39	-110.30
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000447336	0	37	-2.0	-110.78	337.44	1.96	-108.82
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)=C1	REAL300000447337	0	36	-2.0	-102.74	339.90	2.28	-100.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)=CS1	REAL300000447338	0	33	-2.0	-108.09	322.44	1.64	-106.45
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000447339	0	36	-2.0	-106.46	333.80	1.74	-104.72
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)C=C(C(=O)[O-])S1	REAL300000447340	0	36	-2.0	-110.00	339.39	2.50	-107.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)C=C1F	REAL300000447341	1	36	-2.0	-99.43	335.32	2.65	-96.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)S1	REAL300000447342	0	33	-2.0	-101.56	323.06	1.74	-99.82
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)=C1	REAL300000447343	1	36	-2.0	-103.23	337.19	2.67	-100.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)C(F)=C1	REAL300000447344	0	36	-2.0	-99.23	336.25	2.68	-96.55
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)=C1	REAL300000447345	0	37	-2.0	-112.52	340.50	0.32	-112.20
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3C(=O)NNC3=O)C=C2)=C1	REAL300000447345	1	37	-2.0	-111.41	339.70	1.10	-110.31
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)C=C1	REAL300000447346	1	39	-2.0	-103.58	352.95	3.39	-100.19
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C(=O)NNC2=O)C=C1	REAL300000447347	1	39	-2.0	-109.66	344.61	3.34	-106.32
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000447349	0	40	-2.0	-112.06	358.81	2.83	-109.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)=CC=C1C(=O)[O-]	REAL300000447350	1	39	-2.0	-100.10	346.79	3.15	-96.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)=C1F	REAL300000447351	0	36	-2.0	-116.25	334.44	2.64	-113.61
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)=C1	REAL300000447352	0	35	-2.0	-109.90	327.01	0.74	-109.16
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)NNC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000447353	0	39	-2.0	-106.46	352.91	2.59	-103.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC3=C2OCC(=O)N3)C=C1	REAL300000447354	0	34	-2.0	-91.99	332.92	2.80	-89.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC3=C2OCC(=O)N3)=CC=C1	REAL300000447355	0	34	-2.0	-104.21	332.93	2.79	-101.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC3=C2OCC(=O)N3)C=C1C(=O)[O-]	REAL300000447356	0	37	-2.0	-104.34	348.94	3.34	-101.00
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=CC3=C2OCC(=O)N3)=C1	REAL300000447357	0	31	-2.0	-98.76	326.11	1.81	-96.95
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC2=C1OCC(=O)N2	REAL300000447358	0	37	-2.0	-105.07	348.37	3.57	-101.50
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC3=C2OCC(=O)N3)C=C1C(=O)[O-]	REAL300000447359	0	35	-2.0	-102.68	339.57	2.14	-100.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC3=C2OCC(=O)N3)=CS1	REAL300000447360	0	31	-2.0	-99.36	324.58	1.83	-97.53
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC3=C2OCC(=O)N3)C=C(C(=O)[O-])O1	REAL300000447361	0	34	-2.0	-98.59	335.93	1.93	-96.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC3=C2OCC(=O)N3)S1	REAL300000447362	0	31	-2.0	-93.52	325.17	1.93	-91.59
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=CC3=C2OCC(=O)N3)=C1	REAL300000447363	0	35	-2.0	-103.94	342.62	0.53	-103.41
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC3=C2OCC(=O)N3)C=C1	REAL300000447364	0	37	-2.0	-95.04	355.10	3.58	-91.46
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC2=C1OCC(=O)N2	REAL300000447365	0	37	-2.0	-99.67	342.94	3.45	-96.22
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC2=C1OCC(=O)N2	REAL300000447366	0	37	-2.0	-92.34	348.32	3.58	-88.76
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC3=C2OCC(=O)N3)C=C1C(=O)[O-]	REAL300000447367	0	38	-2.0	-103.95	360.95	3.00	-100.95
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC3=C2OCC(=O)N3)=CC=C1C(=O)[O-]	REAL300000447368	0	37	-2.0	-92.07	348.93	3.34	-88.73
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=CC3=C2OCC(=O)N3)=C1	REAL300000447369	0	33	-2.0	-101.18	329.14	0.91	-100.27
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1	REAL300000447370	0	42	-2.0	-100.99	370.78	3.97	-97.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC=C1F	REAL300000447371	0	35	-2.0	-117.98	318.86	5.41	-112.57
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCCC2=C1	REAL300000447372	0	43	-2.0	-119.63	373.95	6.49	-113.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1	REAL300000447373	0	35	-2.0	-107.53	314.31	5.39	-102.14
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447374	0	35	-2.0	-120.92	314.33	5.38	-115.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCCC2=C1	REAL300000447375	0	39	-2.0	-127.04	342.47	5.19	-121.85
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1	REAL300000447376	0	39	-2.0	-107.29	345.78	6.67	-100.62
CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1C(=O)[O-]	REAL300000447377	0	38	-2.0	-123.48	334.40	6.03	-117.45
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447378	0	35	-2.0	-116.54	327.40	5.94	-110.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC=C1Cl	REAL300000447379	0	35	-2.0	-116.53	326.83	5.77	-110.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C(Cl)C=C1Cl	REAL300000447380	0	35	-2.0	-111.83	339.89	6.33	-105.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1C	REAL300000447381	0	41	-2.0	-123.84	347.43	6.71	-117.13
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447382	0	35	-2.0	-118.46	319.80	5.44	-113.02
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1	REAL300000447383	0	41	-2.0	-106.72	357.89	6.97	-99.75
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447384	0	32	-2.0	-114.68	307.51	4.40	-110.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCCC2=C1	REAL300000447385	0	38	-2.0	-121.94	329.76	6.16	-115.78
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1	REAL300000447386	0	39	-2.0	-105.94	345.40	5.66	-100.28
CN1C=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1C(=O)[O-]	REAL300000447387	0	36	-2.0	-119.17	320.97	4.73	-114.44
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCCC2=C1	REAL300000447388	0	39	-2.0	-122.23	338.53	4.20	-118.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447389	0	35	-2.0	-110.58	323.44	5.06	-105.52
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1C(=O)[O-]	REAL300000447390	0	41	-2.0	-123.34	345.77	6.70	-116.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CS1	REAL300000447391	0	32	-2.0	-116.32	305.98	4.40	-111.92
COC1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000447392	0	43	-2.0	-121.01	372.64	5.19	-115.82
COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1C(=O)[O-]	REAL300000447393	0	39	-2.0	-126.88	341.60	5.45	-121.43
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447394	0	45	-2.0	-126.23	369.56	8.01	-118.22
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCCC2=C1	REAL300000447395	0	44	-2.0	-124.56	368.22	7.39	-117.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCCC2=C1	REAL300000447396	0	41	-2.0	-120.14	344.48	7.10	-113.04
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCCC2=C1	REAL300000447397	0	42	-2.0	-127.84	364.76	5.95	-121.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC(C(=O)[O-])=C1	REAL300000447398	0	37	-3.0	-196.59	342.73	5.94	-190.65
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447399	0	42	-2.0	-126.52	358.57	7.27	-119.25
CC1=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C(C(=O)[O-])O1	REAL300000447400	0	35	-2.0	-114.10	317.33	4.52	-109.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC2=C1OCCO2	REAL300000447401	0	41	-2.0	-125.67	356.49	5.15	-120.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447402	0	39	-2.0	-121.85	343.31	4.47	-117.38
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NN4CCCCC4=C3)C=C2C1	REAL300000447403	0	43	-2.0	-107.51	367.96	6.00	-101.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC(Cl)=C1Cl	REAL300000447404	0	35	-2.0	-109.93	342.00	6.23	-103.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C(Cl)C=C1F	REAL300000447405	0	35	-2.0	-112.72	331.92	5.96	-106.76
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1Cl	REAL300000447406	0	39	-2.0	-104.14	361.42	6.20	-97.94
CC1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC=C1OCC(=O)[O-]	REAL300000447407	0	42	-2.0	-106.41	365.48	6.37	-100.04
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1F	REAL300000447408	0	45	-2.0	-104.75	394.06	6.63	-98.12
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCCC2=C1	REAL300000447409	0	38	-2.0	-111.93	335.03	6.20	-105.73
CC1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC=C1OCCCC(=O)[O-]	REAL300000447410	0	48	-2.0	-106.59	407.92	7.30	-99.29
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1F	REAL300000447411	0	39	-2.0	-105.03	351.62	5.73	-99.30
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1C(=O)[O-]	REAL300000447412	0	42	-2.0	-127.46	363.46	6.35	-121.11
CC1=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C(C(=O)[O-])S1	REAL300000447413	0	35	-2.0	-117.95	322.95	5.27	-112.68
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447414	0	35	-2.0	-109.88	342.55	6.39	-103.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C(Cl)=C1	REAL300000447415	0	35	-2.0	-104.93	327.38	5.93	-99.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1F	REAL300000447416	0	35	-2.0	-106.66	318.84	5.42	-101.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)S1	REAL300000447417	0	32	-2.0	-109.28	306.58	4.51	-104.77
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447418	0	35	-2.0	-111.30	320.73	5.45	-105.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1F	REAL300000447419	0	38	-2.0	-119.92	340.08	6.08	-113.84
COC1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000447420	0	39	-2.0	-109.51	354.64	6.00	-103.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C(F)=C1	REAL300000447421	0	35	-2.0	-107.10	319.79	5.45	-101.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1Cl	REAL300000447422	0	35	-2.0	-104.95	326.81	5.78	-99.17
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCCC2=C1	REAL300000447423	0	38	-2.0	-113.73	343.77	6.58	-107.15
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1	REAL300000447424	0	43	-2.0	-103.83	378.06	6.79	-97.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC(F)=C1F	REAL300000447425	0	35	-2.0	-108.97	325.15	5.47	-103.50
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447426	0	37	-2.0	-105.08	342.52	6.05	-99.03
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447427	0	36	-2.0	-120.78	324.04	3.11	-117.67
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1	REAL300000447428	0	38	-2.0	-111.73	336.49	6.16	-105.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC(Cl)=C1F	REAL300000447429	0	35	-2.0	-110.57	335.03	5.91	-104.66
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN2CCCCC2=C1	REAL300000447430	0	38	-2.0	-116.73	324.39	6.02	-110.71
CC1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC(C(=O)[O-])=C1F	REAL300000447431	0	38	-2.0	-119.28	339.16	6.03	-113.25
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN2CCCCC2=C1	REAL300000447432	0	38	-2.0	-107.59	329.74	6.15	-101.44
CC1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC(C(=O)[O-])=C1C	REAL300000447433	0	41	-2.0	-125.69	351.13	6.55	-119.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000447434	0	37	-2.0	-118.14	340.89	6.47	-111.67
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447435	0	35	-2.0	-109.58	326.06	5.51	-104.07
CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C(C)=C1C(=O)[O-]	REAL300000447436	0	41	-2.0	-121.03	348.81	6.76	-114.27
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1C(=O)[O-]	REAL300000447437	0	38	-2.0	-119.75	335.82	5.98	-113.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1Cl	REAL300000447438	0	38	-2.0	-118.37	346.09	6.51	-111.86
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447439	0	38	-2.0	-125.76	339.36	6.07	-119.69
CCC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1C(=O)[O-]	REAL300000447440	0	41	-2.0	-123.19	348.29	6.57	-116.62
COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1CC(=O)[O-]	REAL300000447441	0	42	-2.0	-122.70	364.79	5.51	-117.19
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN2CCCCC2=C1	REAL300000447442	0	38	-2.0	-109.77	340.59	6.56	-103.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1C(F)(F)F	REAL300000447443	0	38	-2.0	-103.80	344.44	6.18	-97.62
CC1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000447444	0	38	-2.0	-118.37	345.55	6.34	-112.03
CCN1C=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1C(=O)[O-]	REAL300000447445	0	39	-2.0	-120.52	342.35	5.60	-114.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C(C)=C1CC(=O)[O-]	REAL300000447446	0	47	-2.0	-120.45	379.24	8.23	-112.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C(F)C(Cl)=C1F	REAL300000447447	0	35	-2.0	-107.91	339.93	5.94	-101.97
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1C(=O)[O-]	REAL300000447448	0	38	-2.0	-114.08	344.19	6.35	-107.73
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C(C(=O)[O-])S1	REAL300000447449	0	44	-2.0	-117.52	363.76	7.46	-110.06
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1C(=O)[O-]	REAL300000447450	0	39	-2.0	-122.09	354.65	6.00	-116.09
CC1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC=C1C(=O)[O-]	REAL300000447451	0	38	-2.0	-109.22	334.38	6.03	-103.19
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C([N+](=O)[O-])=C1	REAL300000447452	0	40	-2.0	-113.32	357.59	7.58	-105.74
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCCC2=C1	REAL300000447453	0	38	-2.0	-118.80	334.28	6.20	-112.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1[N+](=O)[O-]	REAL300000447454	0	37	-2.0	-127.98	338.06	7.24	-120.74
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1F	REAL300000447455	0	35	-2.0	-124.95	317.99	5.41	-119.54
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C1C(=O)[O-]	REAL300000447456	0	38	-2.0	-112.28	335.49	5.95	-106.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=CC2=CC=CC=C21	REAL300000447457	0	41	-2.0	-129.57	355.37	7.51	-122.06
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C1	REAL300000447458	0	34	-2.0	-118.66	310.54	3.50	-115.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN2CCCCC2=C1	REAL300000447459	0	39	-2.0	-112.28	342.53	5.19	-107.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)=C(Cl)O1	REAL300000447460	0	32	-2.0	-107.62	314.43	4.34	-103.28
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN4CCCCC4=C3)C=C2)CC1	REAL300000447461	0	42	-2.0	-114.64	360.45	7.27	-107.37
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN4CCCCC4=C3)C=C2C1	REAL300000447462	0	42	-2.0	-118.41	359.77	7.27	-111.14
CCC1=C(S(=O)(=O)[N-]C2=NN3CCCCC3=C2)C=C(C(=O)[O-])O1	REAL300000447463	0	38	-2.0	-113.98	336.45	5.37	-108.61
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C(N3CCOCC3)C=C2F)=C1	REAL300000447466	0	40	-2.0	-102.77	358.53	2.37	-100.40
CC1=CC(=O)OC2=CC(N(C)S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C12	REAL300000447484	0	40	-2.0	-104.58	355.86	7.27	-97.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2N2CCOCC2)C=C1	REAL300000447494	1	41	-2.0	-89.76	365.96	4.31	-85.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2N2CCOCC2)=C1	REAL300000447495	1	41	-2.0	-101.64	365.98	4.30	-97.34
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2N2CCOCC2)=C1	REAL300000447496	0	40	-2.0	-99.43	362.96	2.36	-97.07
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1Cl	REAL300000447497	1	41	-2.0	-87.70	377.62	5.39	-82.31
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000447498	1	34	-2.0	-104.04	325.70	6.84	-97.20
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1Cl	REAL300000447499	0	42	-2.0	-102.48	381.91	7.96	-94.52
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000447501	1	34	-2.0	-106.69	321.15	6.80	-99.89
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1Cl	REAL300000447502	0	38	-2.0	-109.23	350.43	6.66	-102.57
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1Cl	REAL300000447503	1	38	-2.0	-93.76	352.61	8.10	-85.66
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1Cl	REAL300000447505	0	34	-2.0	-99.50	334.22	7.38	-92.12
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000447506	1	34	-2.0	-102.47	333.65	7.20	-95.27
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1Cl	REAL300000447507	1	40	-2.0	-106.75	354.97	8.21	-98.54
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000447508	0	34	-2.0	-101.12	326.63	6.87	-94.25
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300000447509	1	40	-2.0	-93.14	365.86	8.44	-84.70
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000447510	0	31	-2.0	-98.43	314.33	5.83	-92.60
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1Cl	REAL300000447511	1	37	-2.0	-104.62	337.72	7.65	-96.97
CCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000447513	1	35	-2.0	-104.96	327.81	6.16	-98.80
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1Cl	REAL300000447515	0	34	-2.0	-97.00	330.27	6.49	-90.51
CCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000447517	0	31	-2.0	-102.28	313.94	5.91	-96.37
CCC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1Cl	REAL300000447518	1	42	-2.0	-107.00	379.49	6.62	-100.38
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1Cl	REAL300000447520	1	44	-2.0	-108.51	376.40	9.42	-99.09
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1Cl	REAL300000447521	1	43	-2.0	-106.91	376.19	8.87	-98.04
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1Cl	REAL300000447522	1	40	-2.0	-103.09	351.30	8.52	-94.57
CCC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1Cl	REAL300000447523	0	41	-2.0	-109.97	372.72	7.42	-102.55
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000447524	0	37	-2.0	-106.21	356.26	7.22	-98.99
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000447524	1	36	-3.0	-181.60	350.70	7.43	-174.17
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1Cl	REAL300000447525	1	41	-2.0	-108.85	366.55	8.77	-100.08
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000447526	0	34	-2.0	-98.00	324.16	5.94	-92.06
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1Cl	REAL300000447527	1	40	-2.0	-111.36	363.32	6.58	-104.78
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000447528	0	38	-2.0	-105.29	350.14	5.90	-99.39
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1Cl	REAL300000447530	0	34	-2.0	-96.30	338.75	7.39	-88.91
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1Cl	REAL300000447532	1	37	-2.0	-95.30	342.99	7.68	-87.62
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1Cl	REAL300000447533	1	38	-2.0	-91.86	358.44	7.14	-84.72
CCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300000447535	1	34	-2.0	-101.22	329.75	6.70	-94.52
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1Cl	REAL300000447536	0	34	-2.0	-89.40	334.20	7.37	-82.03
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000447537	1	34	-2.0	-93.54	325.67	6.85	-86.69
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000447538	0	31	-2.0	-93.41	313.42	5.94	-87.47
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000447539	1	34	-2.0	-97.51	327.56	6.87	-90.64
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1Cl	REAL300000447540	0	37	-2.0	-102.45	346.91	7.51	-94.94
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000447541	0	34	-2.0	-91.24	326.61	6.88	-84.36
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000447542	1	34	-2.0	-91.66	333.64	7.21	-84.45
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1Cl	REAL300000447543	1	37	-2.0	-96.96	351.73	8.05	-88.91
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1Cl	REAL300000447544	1	42	-2.0	-90.52	384.89	8.22	-82.30
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000447545	1	34	-2.0	-95.57	331.96	6.90	-88.67
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1Cl	REAL300000447546	1	36	-2.0	-91.54	349.34	7.48	-84.06
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000447547	0	35	-2.0	-103.49	330.86	4.52	-98.97
CCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000447547	1	35	-2.0	-102.63	331.10	5.45	-97.18
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000447548	1	37	-2.0	-98.01	344.46	7.64	-90.37
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000447549	1	34	-2.0	-97.06	341.87	7.34	-89.72
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000447550	1	37	-2.0	-100.50	331.22	7.45	-93.05
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000447551	1	37	-2.0	-105.47	345.99	7.46	-98.01
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1Cl	REAL300000447554	0	36	-2.0	-104.78	347.71	7.89	-96.89
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1Cl	REAL300000447555	0	34	-2.0	-95.76	334.04	6.99	-88.77
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1Cl	REAL300000447557	0	37	-2.0	-102.20	342.63	7.41	-94.79
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1Cl	REAL300000447558	0	37	-2.0	-101.27	352.91	7.94	-93.33
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000447559	0	37	-2.0	-109.14	346.16	7.50	-101.64
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000447562	1	37	-2.0	-94.69	351.69	8.07	-86.62
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000447563	1	37	-2.0	-104.23	352.38	7.77	-96.46
CCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1Cl	REAL300000447564	1	38	-2.0	-106.21	349.17	7.03	-99.18
CCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000447566	1	37	-2.0	-101.04	354.88	7.88	-93.16
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1Cl	REAL300000447568	0	39	-2.0	-97.13	364.41	8.99	-88.14
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1Cl	REAL300000447570	0	36	-2.0	-111.60	344.88	8.66	-102.94
CCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000447571	0	34	-2.0	-108.40	324.77	6.83	-101.57
CCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000447572	1	37	-2.0	-99.23	346.09	7.49	-91.74
CCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1Cl	REAL300000447573	1	40	-2.0	-114.95	362.19	8.93	-106.02
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000447574	0	33	-2.0	-100.83	319.27	4.92	-95.91
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1Cl	REAL300000447575	0	38	-2.0	-96.01	349.35	6.60	-89.41
CCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000447576	0	31	-2.0	-91.85	321.30	5.78	-86.07
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1Cl	REAL300000447577	1	41	-2.0	-101.00	368.41	8.74	-92.26
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1Cl	REAL300000447578	1	41	-2.0	-103.76	367.73	8.75	-95.01
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000447579	0	37	-2.0	-97.82	343.29	6.79	-91.03
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000447580	0	39	-2.0	-97.16	358.53	5.45	-91.71
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000447581	0	39	-2.0	-108.31	358.56	5.44	-102.87
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000447582	0	42	-2.0	-111.69	375.56	5.96	-105.73
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000447583	0	36	-2.0	-103.06	351.75	4.44	-98.62
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000447584	0	42	-2.0	-107.64	373.99	6.23	-101.41
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000447585	0	40	-2.0	-107.10	365.21	4.79	-102.31
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000447586	0	36	-2.0	-106.15	350.21	4.48	-101.67
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000447587	0	39	-2.0	-101.74	361.56	4.58	-97.16
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000447588	0	36	-2.0	-99.25	350.82	4.57	-94.68
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000447589	0	40	-2.0	-105.90	368.27	3.15	-102.75
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000447590	0	42	-2.0	-99.89	380.73	6.21	-93.68
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000447591	0	42	-2.0	-107.26	369.85	6.00	-101.26
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000447592	0	42	-2.0	-96.54	373.97	6.22	-90.32
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(=O)N(C)OC)C=C1C(=O)[O-]	REAL300000447593	0	43	-2.0	-108.37	386.59	5.66	-102.71
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000447594	0	42	-2.0	-98.15	378.84	5.97	-92.18
CON(C)C(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000447595	0	38	-2.0	-108.14	354.77	3.56	-104.58
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000447596	1	37	-2.0	-116.24	341.73	6.11	-110.13
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2C1=O	REAL300000447597	1	37	-2.0	-106.26	337.18	6.09	-100.17
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2C1=O	REAL300000447598	1	37	-2.0	-118.91	337.19	6.08	-112.83
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C(=O)C2=C1	REAL300000447599	0	41	-2.0	-123.09	365.33	5.88	-117.21
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2C1=O	REAL300000447600	1	41	-2.0	-105.34	368.65	7.38	-97.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000447601	1	40	-2.0	-120.10	353.21	6.62	-113.48
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2C1=O	REAL300000447602	0	37	-2.0	-113.18	350.26	6.66	-106.52
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000447603	1	37	-2.0	-114.63	349.71	6.48	-108.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)=C1C	REAL300000447604	1	43	-2.0	-120.32	369.86	7.44	-112.88
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2C1=O	REAL300000447605	0	37	-2.0	-115.19	342.67	6.15	-109.04
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2C1=O	REAL300000447606	1	43	-2.0	-105.03	380.77	7.68	-97.35
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2C1=O	REAL300000447607	0	34	-2.0	-113.14	330.38	5.11	-108.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C(=O)C2=C1	REAL300000447608	1	40	-2.0	-118.17	352.62	6.88	-111.29
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000447610	0	38	-2.0	-117.31	343.84	5.44	-111.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)=C1	REAL300000447612	0	37	-2.0	-109.30	346.30	5.77	-103.53
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2C1=O	REAL300000447614	0	34	-2.0	-114.52	328.84	5.13	-109.39
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C(=O)C2=C1	REAL300000447616	1	43	-2.0	-115.99	367.32	7.82	-108.17
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2C1=O	REAL300000447617	1	44	-2.0	-122.46	381.44	7.99	-114.47
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000447618	0	37	-2.0	-111.63	340.20	5.23	-106.40
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)=C1	REAL300000447619	0	41	-2.0	-120.35	366.18	5.17	-115.18
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C(=O)C2=C1	REAL300000447620	1	40	-2.0	-108.96	357.90	6.91	-102.05
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000447621	0	37	-2.0	-114.77	345.79	5.98	-108.79
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2C1=O	REAL300000447622	0	37	-2.0	-103.72	350.24	6.65	-97.07
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2C1=O	REAL300000447623	1	37	-2.0	-105.72	341.72	6.12	-99.60
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2C1=O	REAL300000447624	0	34	-2.0	-108.00	329.46	5.21	-102.79
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2C1=O	REAL300000447625	1	37	-2.0	-109.66	343.60	6.15	-103.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)=C1F	REAL300000447626	0	40	-2.0	-116.66	362.96	6.79	-109.87
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2C1=O	REAL300000447627	0	37	-2.0	-105.98	342.66	6.16	-99.82
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2C1=O	REAL300000447628	1	37	-2.0	-103.76	349.69	6.49	-97.27
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000447629	1	37	-2.0	-107.72	348.01	6.18	-101.54
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2C1=O	REAL300000447630	0	38	-2.0	-116.54	346.91	3.79	-112.75
CN1C=CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2C1=O	REAL300000447630	1	38	-2.0	-114.15	335.94	4.70	-109.45
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2C1=O	REAL300000447631	1	40	-2.0	-111.82	359.37	6.87	-104.95
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C(=O)C2=C1	REAL300000447632	1	40	-2.0	-116.18	346.74	6.76	-109.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000447633	1	40	-2.0	-117.63	362.02	6.74	-110.89
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000447635	1	43	-2.0	-123.64	373.99	7.25	-116.39
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2C1=O	REAL300000447636	0	37	-2.0	-107.07	348.95	6.21	-100.86
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000447638	0	40	-2.0	-117.53	362.51	6.78	-110.75
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)=C1	REAL300000447639	0	40	-2.0	-125.45	362.23	6.78	-118.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000447640	1	43	-2.0	-120.80	371.13	7.27	-113.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000447641	0	41	-2.0	-118.58	365.21	6.31	-112.27
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000447642	1	40	-2.0	-106.48	353.20	6.63	-99.85
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C(=O)C2=C1	REAL300000447643	1	40	-2.0	-115.80	356.73	6.93	-108.87
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2C1=O	REAL300000447644	0	37	-2.0	-124.60	340.85	6.12	-118.48
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000447645	1	40	-2.0	-111.62	362.13	6.76	-104.86
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2C1=O	REAL300000447646	0	36	-2.0	-114.46	334.18	4.15	-110.31
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C)C(=O)C2=C1	REAL300000447647	0	41	-2.0	-110.48	365.39	5.89	-104.59
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2C1=O	REAL300000447648	0	34	-2.0	-105.94	337.34	5.06	-100.88
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2C1=O	REAL300000447649	1	44	-2.0	-112.10	383.32	7.97	-104.13
CN1C=CC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2C1=O	REAL300000447650	1	44	-2.0	-118.16	382.65	7.97	-110.19
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C)C(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000447651	0	40	-2.0	-111.09	359.32	6.08	-105.01
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000447652	1	41	-2.0	-111.48	364.19	5.90	-105.58
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000447653	1	41	-2.0	-102.37	359.64	5.88	-96.49
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000447654	1	41	-2.0	-115.80	357.81	5.84	-109.96
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000447655	0	45	-2.0	-119.69	387.78	5.67	-114.02
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000447656	1	45	-2.0	-101.42	391.11	7.16	-94.26
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000447657	1	44	-2.0	-115.59	375.44	6.41	-109.18
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000447658	0	41	-2.0	-110.39	370.89	6.42	-103.97
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000447659	1	41	-2.0	-109.98	372.16	6.26	-103.72
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000447660	1	47	-2.0	-117.14	392.32	7.22	-109.92
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000447661	0	41	-2.0	-112.31	363.29	5.91	-106.40
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000447662	1	47	-2.0	-100.53	403.23	7.45	-93.08
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000447663	0	38	-2.0	-110.17	351.00	4.86	-105.31
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000447664	1	44	-2.0	-115.03	375.07	6.65	-108.38
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000447665	1	45	-2.0	-100.25	390.73	6.14	-94.11
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000447666	0	42	-2.0	-113.74	366.29	5.22	-108.52
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000447668	0	41	-2.0	-104.96	368.75	5.54	-99.42
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000447669	1	47	-2.0	-116.60	389.97	7.20	-109.40
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000447670	0	38	-2.0	-111.52	349.47	4.88	-106.64
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000447671	1	45	-2.0	-121.38	386.93	5.93	-115.45
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)N(C)CC)=C1	REAL300000447672	1	47	-2.0	-113.19	387.95	7.57	-105.62
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000447673	0	41	-2.0	-108.90	360.82	4.99	-103.91
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000447674	0	45	-2.0	-118.06	386.80	4.94	-113.12
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000447675	1	44	-2.0	-105.68	380.35	6.69	-98.99
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000447676	0	41	-2.0	-111.92	366.41	5.73	-106.19
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000447677	0	41	-2.0	-101.23	370.86	6.40	-94.83
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000447678	1	41	-2.0	-102.00	364.17	5.91	-96.09
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000447679	0	38	-2.0	-105.52	350.09	4.97	-100.55
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000447680	1	41	-2.0	-106.11	366.06	5.93	-100.18
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000447681	0	44	-2.0	-112.99	385.40	6.57	-106.42
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000447682	0	41	-2.0	-103.48	363.28	5.91	-97.57
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000447683	1	41	-2.0	-99.94	372.14	6.27	-93.67
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000447684	1	41	-2.0	-105.37	368.63	5.94	-99.43
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000447685	0	42	-2.0	-113.69	367.53	3.56	-110.13
CCN(C)C(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000447685	1	42	-2.0	-114.87	368.71	4.51	-110.36
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000447686	1	44	-2.0	-104.94	381.83	6.64	-98.30
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000447687	1	44	-2.0	-111.82	368.97	6.50	-105.32
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000447688	1	44	-2.0	-112.94	384.48	6.52	-106.42
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000447689	1	44	-2.0	-102.43	375.05	6.65	-95.78
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000447690	1	47	-2.0	-117.50	392.25	6.94	-110.56
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000447691	0	41	-2.0	-104.29	369.57	5.97	-98.32
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000447692	1	47	-2.0	-116.49	392.46	7.27	-109.22
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000447693	0	44	-2.0	-114.46	384.26	6.57	-107.89
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000447694	0	44	-2.0	-120.23	384.68	6.56	-113.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)CC)=C2)C=C1C(=O)[O-]	REAL300000447695	1	47	-2.0	-117.59	391.79	7.04	-110.55
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000447696	0	45	-2.0	-114.01	387.78	6.08	-107.93
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000447697	1	44	-2.0	-102.74	375.43	6.42	-96.32
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000447698	1	44	-2.0	-112.67	379.18	6.71	-105.96
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000447699	0	41	-2.0	-119.46	363.31	5.90	-113.56
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000447700	1	44	-2.0	-109.12	382.80	6.53	-102.59
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000447701	0	40	-2.0	-110.71	356.62	3.92	-106.79
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000447702	0	45	-2.0	-106.53	387.83	5.69	-100.84
CCN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000447703	0	38	-2.0	-103.25	357.96	4.82	-98.43
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)CC)=C2)C=C(C(=O)[O-])O1	REAL300000447704	0	44	-2.0	-108.37	379.94	5.83	-102.54
COC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=N2)C=C1	REAL300000447705	0	42	-2.0	-97.90	382.59	5.88	-92.02
COC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=N2)C=C1	REAL300000447706	0	42	-2.0	-110.14	382.62	5.87	-104.27
COC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=N2)C=C1	REAL300000447707	0	39	-2.0	-104.45	375.80	4.90	-99.55
COC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=N2)C=C1	REAL300000447708	0	43	-2.0	-108.65	389.26	5.23	-103.42
COC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=N2)C=C1	REAL300000447709	0	39	-2.0	-105.87	374.27	4.91	-100.96
COC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=N2)C=C1	REAL300000447710	0	42	-2.0	-104.77	385.62	5.02	-99.75
COC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=N2)C=C1	REAL300000447711	0	39	-2.0	-99.53	374.88	5.00	-94.53
COC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=N2)C=C1	REAL300000447712	0	41	-2.0	-107.68	378.83	4.00	-103.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(OC)C(C)=C1C	REAL300000447716	0	45	-2.0	-111.69	374.69	6.46	-105.23
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C)=C1C	REAL300000447719	1	41	-2.0	-102.38	357.83	7.21	-95.17
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1C	REAL300000447722	0	41	-2.0	-103.91	352.01	6.75	-97.16
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1C	REAL300000447724	0	38	-2.0	-101.69	339.73	5.71	-95.98
COC1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1C	REAL300000447727	1	42	-2.0	-105.60	353.19	6.05	-99.55
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=C1C	REAL300000447729	0	41	-2.0	-97.60	355.94	6.37	-91.23
COC1=CC(C)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1C	REAL300000447731	1	38	-2.0	-102.82	337.41	5.72	-97.10
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(OC)C(C)=C1C	REAL300000447735	0	48	-2.0	-110.56	396.98	7.21	-103.35
COC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=C1C	REAL300000447736	0	44	-2.0	-109.99	379.59	6.97	-103.02
COC1=CC(C)=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=C1C	REAL300000447738	0	41	-2.0	-101.47	349.58	5.81	-95.66
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C)=C1C	REAL300000447739	0	45	-2.0	-107.29	375.08	5.73	-101.56
COC1=CC(C)=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=C1C	REAL300000447744	1	41	-2.0	-104.16	356.23	6.59	-97.57
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=C1C	REAL300000447745	1	41	-2.0	-91.93	357.79	7.19	-84.74
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1C	REAL300000447747	0	38	-2.0	-96.23	338.34	5.85	-90.38
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1C	REAL300000447748	1	41	-2.0	-97.55	352.92	6.78	-90.77
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C)=C1C	REAL300000447749	0	44	-2.0	-105.47	372.33	7.39	-98.08
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1C	REAL300000447750	0	41	-2.0	-93.73	352.01	6.76	-86.97
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C)=C1C	REAL300000447754	1	43	-2.0	-91.80	374.70	7.38	-84.42
COC1=CC(C)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1C	REAL300000447755	0	42	-2.0	-106.45	348.57	4.96	-101.49
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1C	REAL300000447755	1	42	-2.0	-106.11	356.26	4.37	-101.74
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C)=C1C	REAL300000447761	1	43	-2.0	-104.94	373.14	7.78	-97.16
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=C1C	REAL300000447762	0	41	-2.0	-96.12	357.87	6.81	-89.31
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C)=C1C	REAL300000447764	0	44	-2.0	-106.41	371.26	7.42	-98.99
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C)=C1C	REAL300000447765	1	44	-2.0	-104.33	376.50	7.77	-96.56
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C)=C1C	REAL300000447766	0	44	-2.0	-111.11	371.58	7.38	-103.73
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=C(OC)C(C)=C2C)C=C1C(=O)[O-]	REAL300000447771	1	45	-2.0	-106.26	374.55	6.90	-99.36
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C)=C1C	REAL300000447775	0	43	-2.0	-112.50	370.22	8.51	-103.99
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1C	REAL300000447776	0	41	-2.0	-110.10	350.21	6.73	-103.37
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1C	REAL300000447779	0	40	-2.0	-104.97	342.32	4.79	-100.18
COC1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1C	REAL300000447780	1	45	-2.0	-98.38	375.04	6.45	-91.93
COC1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=C1C	REAL300000447781	0	38	-2.0	-95.42	346.99	5.66	-89.76
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=C(OC)C(C)=C2C)C=C(C(=O)[O-])O1	REAL300000447784	0	44	-2.0	-101.17	368.70	6.66	-94.51
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1F	REAL300000447785	1	42	-2.0	-83.81	378.05	1.93	-81.88
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)O)=C1	REAL300000447787	0	43	-2.0	-100.67	381.19	4.43	-96.24
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000447789	1	35	-2.0	-105.80	323.45	3.26	-102.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)O)=C1	REAL300000447790	0	39	-2.0	-111.07	351.60	3.05	-108.02
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1F	REAL300000447791	1	39	-2.0	-93.46	354.93	4.56	-88.90
CC(O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1F	REAL300000447793	0	35	-2.0	-98.06	334.65	3.93	-94.13
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000447794	1	35	-2.0	-98.16	334.08	3.74	-94.42
CC(O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000447796	0	35	-2.0	-99.36	327.06	3.42	-95.94
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000447797	1	41	-2.0	-88.94	365.13	4.95	-83.99
CC(O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000447798	0	32	-2.0	-95.90	314.76	2.37	-93.53
CC(O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000447801	1	36	-2.0	-104.30	330.11	2.61	-101.69
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)O)=C2)=C1	REAL300000447803	0	35	-2.0	-92.67	330.69	3.03	-89.64
CC(O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000447805	0	32	-2.0	-98.00	313.22	2.39	-95.61
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000447806	1	43	-2.0	-102.58	379.88	3.16	-99.42
CC(O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1F	REAL300000447808	1	45	-2.0	-106.34	376.83	5.97	-100.37
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)O)=C1	REAL300000447809	1	44	-2.0	-104.75	375.48	5.37	-99.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)O)=C1	REAL300000447810	1	41	-2.0	-102.19	351.72	5.07	-97.12
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)O)=C1	REAL300000447811	0	42	-2.0	-107.04	372.00	3.90	-103.14
CC(O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000447812	0	38	-2.0	-109.90	352.45	3.91	-105.99
CC(O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000447812	1	37	-3.0	-180.70	351.87	3.83	-176.87
CC(O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1F	REAL300000447813	1	42	-2.0	-106.68	365.84	5.24	-101.44
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)O)=C2)C=C(C(=O)[O-])O1	REAL300000447814	0	35	-2.0	-99.72	326.46	2.40	-97.32
CC(O)C1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1F	REAL300000447815	1	41	-2.0	-106.11	363.74	3.12	-102.99
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)O)=C2)=C1	REAL300000447816	0	39	-2.0	-102.41	350.56	2.44	-99.97
CC(O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1F	REAL300000447818	0	35	-2.0	-95.02	339.18	3.94	-91.08
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)O)=C1	REAL300000447820	1	38	-2.0	-93.52	342.28	4.17	-89.35
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1F	REAL300000447821	1	39	-2.0	-88.02	358.86	3.70	-84.32
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)O)=C2)C=C(C(=O)[O-])S1	REAL300000447823	1	35	-2.0	-100.04	330.18	3.25	-96.79
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1F	REAL300000447824	0	35	-2.0	-87.43	334.63	3.92	-83.51
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000447825	1	35	-2.0	-89.40	326.10	3.40	-86.00
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000447826	0	32	-2.0	-91.46	313.84	2.49	-88.97
CC(O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000447827	1	35	-2.0	-93.15	327.98	3.42	-89.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)O)=C2)=C1F	REAL300000447828	0	38	-2.0	-100.23	347.34	4.04	-96.19
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000447829	0	35	-2.0	-88.99	327.04	3.43	-85.56
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300000447830	1	35	-2.0	-87.44	334.07	3.75	-83.69
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)O)=C1	REAL300000447831	1	38	-2.0	-95.18	351.02	4.55	-90.63
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1F	REAL300000447832	1	43	-2.0	-86.80	385.32	4.76	-82.04
CC(O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000447833	1	35	-2.0	-95.33	334.28	3.35	-91.98
CC(O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000447834	1	37	-2.0	-91.03	351.65	3.93	-87.10
CC(O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000447835	0	36	-2.0	-102.51	331.29	1.07	-101.44
CC(O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000447835	1	36	-2.0	-103.60	322.19	1.87	-101.73
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000447836	1	38	-2.0	-97.17	345.62	4.05	-93.12
CC(O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000447837	1	35	-2.0	-92.97	342.28	3.88	-89.09
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300000447842	0	37	-2.0	-101.05	348.14	4.44	-96.61
CC(O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1F	REAL300000447843	0	35	-2.0	-90.99	333.34	3.48	-87.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)O)=C2)C=C1C(=O)[O-]	REAL300000447845	0	38	-2.0	-105.25	348.77	3.95	-101.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)O)=C2)=C1Cl	REAL300000447846	0	38	-2.0	-99.13	353.32	4.48	-94.65
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)O)=C2)=C1	REAL300000447847	0	38	-2.0	-106.55	346.61	4.05	-102.50
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)O)=C1	REAL300000447850	1	38	-2.0	-91.66	347.84	4.53	-87.13
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000447851	1	38	-2.0	-99.83	352.80	4.31	-95.52
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)O)=C2)C=C1C(=O)[O-]	REAL300000447852	1	39	-2.0	-101.14	349.60	3.56	-97.58
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)O)=C2)C=C1C(=O)[O-]	REAL300000447854	1	38	-2.0	-96.66	355.32	4.42	-92.24
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1F	REAL300000447856	0	40	-2.0	-99.13	366.73	5.46	-93.67
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1F	REAL300000447858	0	37	-2.0	-113.85	347.18	5.11	-108.74
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000447859	0	35	-2.0	-105.84	325.23	3.38	-102.46
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)O)=C2)C=C1C(=O)[O-]	REAL300000447860	1	38	-2.0	-94.82	346.52	4.02	-90.80
CC(O)C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1F	REAL300000447861	1	41	-2.0	-110.29	362.62	5.48	-104.81
CC(O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000447862	0	34	-2.0	-102.89	320.44	1.32	-101.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)O)=C1	REAL300000447863	0	39	-2.0	-93.83	349.78	3.15	-90.68
CC(O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000447864	0	32	-2.0	-89.94	321.72	2.33	-87.61
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1F	REAL300000447865	1	42	-2.0	-96.68	367.70	5.24	-91.44
CC(O)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1F	REAL300000447866	1	42	-2.0	-99.37	367.02	5.24	-94.13
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)O)=C2)C=C(C(=O)[O-])O1	REAL300000447867	0	38	-2.0	-99.58	345.59	3.25	-96.33
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000447868	1	41	-2.0	-126.64	362.85	5.95	-120.69
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000447869	1	38	-2.0	-129.39	347.41	5.17	-124.22
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C(C(=O)[O-])=C1	REAL300000447872	0	32	-2.0	-133.64	301.13	4.79	-128.85
COC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000447873	0	35	-2.0	-96.24	324.46	4.17	-92.07
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C(C(=O)[O-])=C1	REAL300000447874	0	31	-2.0	-115.37	304.49	3.14	-112.23
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000447875	1	33	-2.0	-121.12	313.47	4.90	-116.22
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C(C(=O)[O-])=C1	REAL300000447876	1	33	-2.0	-116.76	313.44	4.91	-111.85
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C(C(=O)[O-])=C1	REAL300000447877	0	32	-2.0	-122.87	314.86	5.10	-117.77
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000447878	0	33	-2.0	-133.36	310.70	4.80	-128.56
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C(C(=O)[O-])=C1	REAL300000447879	0	32	-2.0	-124.63	309.11	5.21	-119.42
COC1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000447882	0	35	-2.0	-100.68	323.95	5.04	-95.64
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000447884	0	36	-2.0	-121.71	341.93	6.60	-115.11
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000447886	1	37	-2.0	-123.84	336.83	5.70	-118.14
COC1=CC=C([N-]S(=O)(=O)C2=C(C)NN=C2C)C(C(=O)[O-])=C1	REAL300000447887	0	35	-2.0	-120.43	308.88	2.35	-118.08
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C(C(=O)[O-])=C1	REAL300000447888	0	29	-2.0	-117.70	306.24	4.25	-113.45
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000447891	1	35	-2.0	-117.03	331.38	5.52	-111.51
COC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000447893	0	35	-2.0	-102.85	319.14	5.01	-97.84
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000447894	0	40	-2.0	-133.82	350.36	3.59	-130.23
COC1=CC=C([N-]S(=O)(=O)C2=C(C)ON=C2C)C(C(=O)[O-])=C1	REAL300000447897	0	34	-2.0	-115.79	307.55	3.44	-112.35
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000447898	1	32	-2.0	-116.01	324.54	5.49	-110.52
COC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000447899	0	35	-2.0	-118.76	319.35	5.02	-113.74
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000447899	1	34	-3.0	-202.45	321.09	5.07	-197.38
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000447900	1	32	-2.0	-114.72	305.32	4.64	-110.08
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000447901	0	32	-2.0	-120.22	322.48	5.60	-114.62
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000447902	1	35	-2.0	-121.48	331.36	5.52	-115.96
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2)C(C(=O)[O-])=C1	REAL300000447903	1	35	-2.0	-127.41	314.03	5.18	-122.23
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000447905	0	35	-2.0	-127.54	317.22	5.87	-121.67
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000447906	1	32	-2.0	-122.09	309.35	5.03	-117.06
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000447907	1	37	-2.0	-124.20	333.10	4.91	-119.29
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000447910	1	32	-2.0	-115.02	315.21	5.08	-109.94
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)C(C(=O)[O-])=C1	REAL300000447911	1	37	-2.0	-136.68	335.40	4.99	-131.69
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000447913	0	38	-2.0	-138.70	337.86	5.91	-132.79
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C1	REAL300000447914	1	41	-2.0	-119.99	369.26	6.11	-113.88
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C(C(=O)[O-])=C1	REAL300000447915	0	32	-2.0	-123.27	320.95	5.54	-117.73
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000447916	1	38	-2.0	-122.46	348.15	5.26	-117.20
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C(=O)[O-])=C1	REAL300000447920	0	38	-3.0	-204.03	349.23	4.87	-199.16
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C(=O)[O-])=C1	REAL300000447920	1	39	-2.0	-119.46	346.45	4.81	-114.65
COC1=CC=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000447921	0	39	-2.0	-103.62	350.62	6.30	-97.32
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000447922	0	32	-2.0	-125.83	316.23	5.83	-120.00
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000447923	0	29	-2.0	-117.47	301.61	4.13	-113.34
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC)C(C(=O)[O-])=C1	REAL300000447925	0	36	-2.0	-132.69	320.88	4.30	-128.39
COC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000447926	0	38	-2.0	-100.66	335.13	5.54	-95.12
COC1=CC=C([N-]S(=O)(=O)C2=CC(NC(C)=O)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000447927	0	43	-2.0	-134.60	376.96	3.19	-131.41
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000447928	0	32	-2.0	-121.07	310.69	4.70	-116.37
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000447929	1	32	-2.0	-116.53	326.09	5.54	-110.99
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000447930	0	32	-2.0	-126.04	305.76	5.08	-120.96
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C(C(=O)[O-])=C1	REAL300000447931	1	32	-2.0	-122.11	313.92	5.14	-116.97
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000447932	1	34	-2.0	-122.11	320.84	5.19	-116.92
COC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000447933	1	37	-2.0	-118.66	336.33	5.96	-112.70
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000447934	1	34	-2.0	-115.56	333.29	5.56	-110.00
COC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C(C(=O)[O-])=C1	REAL300000447935	0	29	-2.0	-123.73	284.55	3.52	-120.21
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000447937	0	34	-2.0	-138.37	313.72	5.93	-132.44
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000447938	0	34	-3.0	-192.90	334.16	5.65	-187.25
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000447938	1	35	-2.0	-97.75	331.33	5.19	-92.56
COC1=CC=C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000447939	0	35	-2.0	-98.14	331.94	5.40	-92.74
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000447939	1	34	-3.0	-197.60	333.59	5.47	-192.13
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000447942	0	32	-2.0	-121.87	304.53	4.65	-117.22
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000447943	1	32	-2.0	-122.27	299.03	4.58	-117.69
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000447944	1	32	-2.0	-115.67	305.44	4.65	-111.02
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C(C(=O)[O-])=C1	REAL300000447949	1	32	-2.0	-118.77	309.36	5.03	-113.74
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C(C(=O)[O-])=C1	REAL300000447950	1	32	-2.0	-118.90	313.93	5.14	-113.76
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000447951	1	34	-2.0	-112.57	320.86	5.19	-107.38
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000447952	1	32	-2.0	-126.25	292.62	4.51	-121.74
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)S2)C(C(=O)[O-])=C1	REAL300000447954	0	32	-2.0	-125.25	306.45	4.31	-120.94
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000447955	0	41	-2.0	-98.88	350.91	6.35	-92.53
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2OC)C(C(=O)[O-])=C1	REAL300000447956	0	36	-2.0	-125.10	337.61	4.83	-120.27
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000447957	0	34	-2.0	-128.40	330.43	6.45	-121.95
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(=O)[O-])=C1	REAL300000447958	0	34	-3.0	-196.31	326.56	5.14	-191.17
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(=O)[O-])=C1	REAL300000447958	1	35	-2.0	-110.69	324.20	4.68	-106.01
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000447959	0	29	-2.0	-115.23	315.47	4.67	-110.56
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000447961	1	37	-2.0	-122.10	330.87	5.79	-116.31
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000447962	0	32	-2.0	-124.51	304.53	4.65	-119.86
COC1=CC=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000447963	0	41	-2.0	-99.89	362.82	6.60	-93.29
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000447963	1	40	-3.0	-182.94	364.66	6.66	-176.28
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C(C(=O)[O-])=C1	REAL300000447965	1	36	-2.0	-119.98	328.37	1.33	-118.65
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(=O)[O-])=C1	REAL300000447971	0	31	-3.0	-195.00	314.27	4.10	-190.90
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C(C(=O)[O-])=C1	REAL300000447972	1	35	-2.0	-119.44	324.37	2.02	-117.42
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000447974	0	38	-2.0	-97.78	333.72	5.82	-91.96
COC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)C(C(=O)[O-])=C1	REAL300000447975	0	38	-2.0	-124.63	329.32	3.55	-121.08
COC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000447976	1	40	-2.0	-118.97	354.05	6.51	-112.46
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C1	REAL300000447977	1	38	-2.0	-120.31	347.40	5.18	-115.13
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C1	REAL300000447978	1	39	-2.0	-124.65	349.07	2.79	-121.86
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000447979	1	37	-2.0	-126.77	346.81	-0.52	-127.29
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000447981	0	41	-2.0	-139.34	364.78	6.19	-133.15
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C(C(=O)[O-])=C1	REAL300000447982	1	36	-2.0	-124.48	327.14	1.30	-123.18
COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000447985	1	38	-2.0	-130.45	338.57	6.79	-123.66
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=CS1	REAL300000447986	0	35	-2.0	-135.15	332.21	4.83	-130.32
COC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000447989	0	39	-2.0	-101.28	350.29	5.29	-95.99
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000447991	1	43	-2.0	-129.10	376.86	8.63	-120.47
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C(C(=O)[O-])=C1	REAL300000447994	0	32	-2.0	-131.19	298.12	4.58	-126.61
COC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)C(C(=O)[O-])=C1	REAL300000447995	0	37	-2.0	-120.55	347.76	3.52	-117.03
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C(C(=O)[O-])=C1	REAL300000447996	1	37	-2.0	-121.21	335.01	5.02	-116.19
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000447997	0	38	-2.0	-139.46	345.50	3.10	-136.36
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)C(C(=O)[O-])=C1	REAL300000447998	0	40	-2.0	-144.04	353.97	5.79	-138.25
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)C(C(=O)[O-])=C1	REAL300000448000	1	35	-2.0	-126.25	327.17	5.75	-120.50
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000448001	0	36	-2.0	-128.37	337.38	4.79	-123.58
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C(C(=O)[O-])=C1	REAL300000448003	1	37	-2.0	-131.04	346.86	-0.53	-131.57
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000448005	0	38	-2.0	-134.13	343.17	5.24	-128.89
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)C(C(=O)[O-])=C1	REAL300000448006	1	38	-2.0	-119.12	349.17	1.51	-117.61
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000448007	1	39	-2.0	-118.89	358.46	3.78	-115.11
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)C(C(=O)[O-])=C1	REAL300000448009	1	38	-2.0	-121.32	346.76	4.47	-116.85
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000448010	1	36	-2.0	-119.84	338.62	4.31	-115.53
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000448011	1	38	-2.0	-132.42	353.32	2.04	-130.38
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000448013	1	42	-2.0	-128.51	359.25	8.25	-120.26
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C(C(=O)[O-])=C1	REAL300000448014	0	32	-2.0	-117.30	312.15	5.15	-112.15
COC1=CC=C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C(C(=O)[O-])=C1	REAL300000448015	1	44	-2.0	-132.63	378.55	3.86	-128.77
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2F)C(C(=O)[O-])=C1	REAL300000448016	0	39	-2.0	-141.09	354.48	3.45	-137.64
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C(C(=O)[O-])=C1	REAL300000448017	1	38	-2.0	-136.51	353.32	2.04	-134.47
COC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)C(C(=O)[O-])=C1	REAL300000448018	1	41	-2.0	-128.29	366.82	7.21	-121.08
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C=C2F)C(C(=O)[O-])=C1	REAL300000448020	0	40	-2.0	-126.80	356.83	3.79	-123.01
COC1=CC=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448022	0	36	-2.0	-116.42	327.58	4.42	-112.00
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448022	1	35	-3.0	-200.32	327.74	4.43	-195.89
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C(C(=O)[O-])=C1	REAL300000448023	0	32	-2.0	-132.65	310.09	4.08	-128.57
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000448024	0	37	-2.0	-122.82	334.57	0.68	-122.14
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C(=O)[O-])=C1	REAL300000448025	0	39	-2.0	-98.86	341.50	3.81	-95.05
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448026	0	38	-2.0	-125.70	360.48	5.73	-119.97
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2)C(C(=O)[O-])=C1	REAL300000448029	1	36	-2.0	-121.60	328.33	3.89	-117.71
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2)C(C(=O)[O-])=C1	REAL300000448034	0	32	-2.0	-121.95	297.17	2.22	-119.73
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000448035	1	37	-2.0	-111.86	336.33	5.96	-105.90
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=CN1C	REAL300000448037	0	40	-2.0	-123.76	356.50	2.16	-121.60
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)C(C(=O)[O-])=C1	REAL300000448038	1	35	-2.0	-120.53	324.84	5.81	-114.72
COC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=C(C)C=C3)N=C2)C(C(=O)[O-])=C1	REAL300000448040	0	42	-2.0	-124.64	374.59	6.31	-118.33
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)C(C(=O)[O-])=C1	REAL300000448044	1	40	-2.0	-124.65	356.17	4.37	-120.28
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C(=O)[O-])=C1	REAL300000448045	0	34	-3.0	-190.54	330.20	4.76	-185.78
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000448046	1	33	-2.0	-113.39	328.84	5.32	-108.07
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C(C(=O)[O-])=C1	REAL300000448047	1	33	-2.0	-113.96	328.86	5.32	-108.64
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300000448048	0	41	-2.0	-99.40	352.37	6.41	-92.99
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000448049	1	36	-2.0	-130.07	330.98	4.88	-125.19
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C3=NC=CC=C23)C(C(=O)[O-])=C1	REAL300000448050	1	41	-2.0	-128.54	357.92	4.31	-124.23
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000448052	0	32	-2.0	-128.13	314.29	5.08	-123.05
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2OC)C(C(=O)[O-])=C1	REAL300000448054	0	38	-2.0	-118.69	349.09	4.98	-113.71
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000448055	1	42	-2.0	-132.85	361.99	6.18	-126.67
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)C(C(=O)[O-])=C1	REAL300000448056	1	35	-2.0	-123.07	319.34	5.22	-117.85
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C(C(=O)[O-])=C1	REAL300000448058	0	35	-2.0	-131.73	319.53	5.24	-126.49
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)C(C(=O)[O-])=C1	REAL300000448059	1	35	-2.0	-120.36	314.51	5.35	-115.01
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000448061	0	37	-2.0	-137.90	331.01	6.87	-131.03
COC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C(C(=O)[O-])=C1	REAL300000448062	0	40	-2.0	-127.24	357.93	3.76	-123.48
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C(C(=O)[O-])=C1	REAL300000448063	1	42	-2.0	-138.22	364.77	4.37	-133.85
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000448065	0	40	-2.0	-144.11	353.89	5.80	-138.31
COC1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448068	0	32	-2.0	-100.14	312.26	4.09	-96.05
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448068	1	31	-3.0	-196.76	312.74	4.12	-192.64
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000448069	0	35	-2.0	-126.97	334.97	6.42	-120.55
COC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2C)C(C(=O)[O-])=C1	REAL300000448070	1	41	-2.0	-134.06	368.81	2.81	-131.25
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000448071	0	34	-2.0	-112.23	333.98	5.75	-106.48
COC1=CC=C(NS(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448072	0	39	-2.0	-125.36	346.51	5.08	-120.28
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)C(C(=O)[O-])=C1	REAL300000448073	1	40	-2.0	-128.04	342.73	5.89	-122.15
COC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CS2)C(C(=O)[O-])=C1	REAL300000448074	0	29	-2.0	-120.09	304.93	4.07	-116.02
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCNC(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000448076	1	45	-2.0	-133.19	396.33	4.30	-128.89
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000448077	0	34	-2.0	-130.21	320.11	6.00	-124.21
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C(=O)[O-])=C1	REAL300000448078	0	44	-2.0	-103.17	372.23	6.66	-96.51
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C(C(=O)[O-])=C1	REAL300000448079	1	42	-2.0	-127.27	366.81	7.93	-119.34
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000448080	0	34	-2.0	-135.15	326.02	5.89	-129.26
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448081	0	41	-2.0	-134.51	372.65	3.03	-131.48
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448082	1	43	-2.0	-135.71	383.37	4.18	-131.53
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)C(C(=O)[O-])=C1	REAL300000448085	1	43	-2.0	-136.38	380.68	4.49	-131.89
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2O)C(C(=O)[O-])=C1	REAL300000448086	0	36	-2.0	-125.32	323.82	2.88	-122.44
COC1=CC=C(NS(=O)(=O)C2=CC(C)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000448086	1	36	-2.0	-112.75	317.82	3.73	-109.02
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448087	0	41	-2.0	-102.05	347.92	6.17	-95.88
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C(C(=O)[O-])=C1	REAL300000448088	0	35	-2.0	-130.74	332.15	5.42	-125.32
COC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(C(=O)[O-])=C1	REAL300000448089	0	41	-3.0	-211.73	371.52	5.64	-206.09
COC1=CC=C(NS(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(C(=O)[O-])=C1	REAL300000448089	1	42	-2.0	-127.43	368.82	5.58	-121.85
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448090	0	37	-3.0	-180.40	347.78	5.56	-174.84
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448090	1	36	-4.0	-294.33	349.49	5.64	-288.69
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])S1	REAL300000448091	0	35	-2.0	-118.26	340.51	4.28	-113.98
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C(=O)[O-])=C1	REAL300000448092	0	42	-2.0	-103.73	362.42	6.54	-97.19
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000448093	0	40	-2.0	-138.76	352.83	7.15	-131.61
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C(C(=O)[O-])=C1	REAL300000448094	1	36	-2.0	-116.78	330.44	4.89	-111.89
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000448095	0	32	-2.0	-122.53	307.54	4.87	-117.66
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCNC(C)=O)S2)C(C(=O)[O-])=C1	REAL300000448096	0	42	-2.0	-131.74	388.71	3.45	-128.29
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)NC(C)=O)S2)C(C(=O)[O-])=C1	REAL300000448097	0	42	-2.0	-122.79	386.12	3.50	-119.29
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448098	0	34	-3.0	-189.97	324.10	4.22	-185.75
COC1=CC=C(NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448098	1	35	-2.0	-97.46	321.78	3.75	-93.71
COC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C(C(=O)[O-])=C1	REAL300000448099	0	35	-2.0	-147.25	320.82	3.71	-143.54
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448100	0	38	-2.0	-130.05	352.89	5.22	-124.83
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448101	0	42	-2.0	-135.32	364.15	5.89	-129.43
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000448104	0	34	-2.0	-137.49	326.34	6.67	-130.82
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C(C(=O)[O-])=C1	REAL300000448105	1	37	-2.0	-135.36	340.96	4.69	-130.67
COC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C(C(=O)[O-])=C1	REAL300000448106	0	31	-2.0	-116.11	308.94	3.31	-112.80
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000448108	0	34	-2.0	-141.80	318.65	6.14	-135.66
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(=O)[O-])=C1	REAL300000448109	0	38	-3.0	-211.32	350.00	4.16	-207.16
COC1=CC=C(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(=O)[O-])=C1	REAL300000448109	1	39	-2.0	-109.78	347.36	3.68	-106.10
COC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000448110	0	39	-2.0	-124.98	353.19	5.63	-119.35
COC1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000448111	0	42	-2.0	-123.27	378.61	6.07	-117.20
COC1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000448112	0	31	-2.0	-115.79	294.03	2.80	-112.99
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)C(C(=O)[O-])=C1	REAL300000448114	1	42	-2.0	-122.10	372.88	5.43	-116.67
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448115	0	35	-2.0	-123.92	340.67	4.17	-119.75
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448116	1	40	-2.0	-113.75	346.54	6.72	-107.03
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)C(C(=O)[O-])=C1	REAL300000448117	1	37	-2.0	-127.51	328.79	4.95	-122.56
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C(C(=O)[O-])=C1	REAL300000448118	0	31	-2.0	-116.93	317.77	3.65	-113.28
COC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000448119	0	42	-2.0	-100.81	370.38	6.00	-94.81
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C=N2)C(C(=O)[O-])=C1	REAL300000448120	0	32	-2.0	-133.76	296.64	3.61	-130.15
COC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)C(C(=O)[O-])=C1	REAL300000448122	1	40	-2.0	-120.27	358.95	4.25	-116.02
COC1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)C(C(=O)[O-])=C1	REAL300000448123	0	36	-2.0	-115.08	332.38	1.49	-113.59
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C(C(=O)[O-])=C1	REAL300000448124	0	32	-2.0	-113.04	308.57	3.04	-110.00
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000448126	0	32	-2.0	-129.55	304.40	4.64	-124.91
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(OC)C=C2F)C(C(=O)[O-])=C1	REAL300000448127	0	36	-2.0	-128.84	330.62	4.10	-124.74
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448128	0	38	-2.0	-132.29	354.53	6.43	-125.86
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000448129	0	34	-2.0	-130.56	330.44	6.45	-124.11
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000448130	0	38	-2.0	-93.09	337.77	5.80	-87.29
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000448130	1	37	-3.0	-188.12	341.80	5.89	-182.23
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C(C(=O)[O-])=C1	REAL300000448131	0	38	-2.0	-132.35	335.76	4.16	-128.19
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C)=N2)C(C(=O)[O-])=C1	REAL300000448132	0	35	-2.0	-139.49	316.32	3.40	-136.09
COC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000448133	0	39	-2.0	-100.23	356.73	5.36	-94.87
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000448133	1	38	-3.0	-181.61	358.38	5.42	-176.19
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000448134	0	36	-2.0	-127.93	330.64	4.57	-123.36
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448135	1	41	-2.0	-128.99	369.28	6.10	-122.89
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=N1	REAL300000448136	0	35	-2.0	-122.43	318.71	3.08	-119.35
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C1	REAL300000448137	1	44	-2.0	-119.71	390.76	6.90	-112.81
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448138	1	39	-2.0	-127.90	347.69	4.24	-123.66
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448139	0	38	-2.0	-131.91	344.20	5.98	-125.93
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000448140	0	35	-2.0	-123.41	337.18	5.59	-117.82
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000448141	0	35	-2.0	-118.58	323.53	5.93	-112.65
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C(C(=O)[O-])=C1	REAL300000448142	0	32	-2.0	-125.63	324.70	4.61	-121.02
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000448143	0	42	-2.0	-126.21	368.53	5.99	-120.22
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C(C(=O)[O-])=C1	REAL300000448144	1	37	-2.0	-125.11	328.60	3.80	-121.31
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=CC=C1F	REAL300000448145	1	41	-2.0	-117.55	373.84	6.12	-111.43
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000448146	0	32	-2.0	-119.90	312.15	5.15	-114.75
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=COC(C)=N3)C=C2)C(C(=O)[O-])=C1	REAL300000448147	1	41	-2.0	-129.22	369.02	3.59	-125.63
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000448150	1	36	-2.0	-117.97	336.92	1.37	-116.60
COC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C)C(C(=O)[O-])=C1	REAL300000448151	0	32	-2.0	-120.11	294.88	1.50	-118.61
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448152	1	36	-2.0	-128.47	322.12	3.81	-124.66
COC1=CC=C([N-]S(=O)(=O)C2=C(C)N=C(NC(C)=O)S2)C(C(=O)[O-])=C1	REAL300000448154	0	38	-2.0	-129.54	354.25	2.74	-126.80
COC1=CC=C([N-]S(=O)(=O)C2=C(C)N=C([N-]C(C)=O)S2)C(C(=O)[O-])=C1	REAL300000448154	1	37	-3.0	-197.50	350.00	1.64	-195.86
COC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2)C(C(=O)[O-])=C1	REAL300000448155	0	32	-2.0	-132.04	297.47	2.05	-129.99
COC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C)C(C(=O)[O-])=C1	REAL300000448156	0	32	-2.0	-117.60	292.86	2.15	-115.45
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000448162	0	35	-2.0	-131.32	319.53	5.25	-126.07
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])O1	REAL300000448164	0	35	-2.0	-119.61	332.17	3.31	-116.30
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000448165	0	37	-2.0	-143.63	332.56	5.14	-138.49
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C(C(=O)[O-])=C1	REAL300000448166	0	38	-2.0	-136.68	359.47	5.16	-131.52
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000448167	0	32	-2.0	-115.65	310.79	4.70	-110.95
COC1=CC=C(NS(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448168	0	35	-2.0	-99.73	328.18	4.51	-95.22
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448168	1	34	-3.0	-193.27	329.71	4.96	-188.31
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1C	REAL300000448169	1	41	-2.0	-129.41	357.45	5.81	-123.60
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000448170	0	36	-2.0	-126.36	335.23	4.38	-121.98
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)C(C(=O)[O-])=C1	REAL300000448171	0	34	-2.0	-116.76	323.27	3.73	-113.03
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448172	0	38	-2.0	-132.84	350.79	2.11	-130.73
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C1	REAL300000448174	1	41	-2.0	-130.28	369.58	5.96	-124.32
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCN(C(C)=O)C3=C2)C(C(=O)[O-])=C1	REAL300000448176	1	43	-2.0	-149.72	371.45	5.54	-144.18
COC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)C(C(=O)[O-])=C1	REAL300000448177	0	44	-2.0	-125.45	370.73	5.16	-120.29
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CS2)C(C(=O)[O-])=C1	REAL300000448178	0	32	-2.0	-124.51	300.35	4.33	-120.18
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448179	1	38	-2.0	-122.53	364.15	5.68	-116.85
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1C	REAL300000448180	0	41	-2.0	-124.76	352.06	4.46	-120.30
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C1C	REAL300000448181	1	41	-2.0	-121.09	363.42	5.71	-115.38
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000448182	1	37	-2.0	-113.74	336.86	5.69	-108.05
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000448185	1	40	-2.0	-138.07	352.21	2.97	-135.10
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000448186	1	41	-2.0	-138.72	377.66	2.72	-136.00
COC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)C(C(=O)[O-])=C1	REAL300000448187	1	36	-2.0	-119.11	328.88	5.69	-113.42
COC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000448189	0	37	-2.0	-123.05	342.30	5.77	-117.28
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000448190	1	44	-2.0	-122.75	343.67	7.01	-115.74
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2OC)C(C(=O)[O-])=C1	REAL300000448193	0	36	-2.0	-127.33	330.27	4.98	-122.35
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)C(C(=O)[O-])=C1	REAL300000448194	1	36	-2.0	-115.97	328.87	5.67	-110.30
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000448199	0	33	-2.0	-120.84	318.92	4.97	-115.87
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)C(C(=O)[O-])=C1	REAL300000448200	1	37	-2.0	-124.16	336.29	2.17	-121.99
COC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000448201	0	38	-2.0	-122.94	337.38	3.60	-119.34
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)C(C(=O)[O-])=C1	REAL300000448202	0	37	-2.0	-129.76	329.18	1.15	-128.61
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=N1	REAL300000448204	0	38	-2.0	-126.52	352.00	3.28	-123.24
COC1=CC=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C(C(=O)[O-])=C1	REAL300000448205	0	38	-2.0	-137.01	336.59	2.95	-134.06
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000448206	0	35	-2.0	-126.80	334.45	6.32	-120.48
COC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C3=CC=CC=N3)N=C2)C(C(=O)[O-])=C1	REAL300000448209	0	41	-2.0	-128.33	364.85	5.89	-122.44
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000448211	1	32	-2.0	-109.02	311.62	4.70	-104.32
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000448212	1	43	-2.0	-122.95	375.24	6.35	-116.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=CN1C	REAL300000448214	0	39	-2.0	-128.66	353.79	4.62	-124.04
COC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000448216	0	35	-2.0	-94.14	331.32	5.19	-88.95
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000448216	1	34	-3.0	-183.96	334.14	5.63	-178.33
COC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000448217	0	35	-2.0	-101.94	323.68	5.05	-96.89
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000448217	1	34	-3.0	-185.31	325.61	5.11	-180.20
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)C(C(=O)[O-])=C1	REAL300000448218	1	40	-2.0	-134.74	359.10	3.93	-130.81
COC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C(C(=O)[O-])=C1	REAL300000448219	0	39	-2.0	-128.29	357.59	5.79	-122.50
COC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C(C(=O)[O-])=C1	REAL300000448222	0	35	-2.0	-115.60	337.44	2.58	-113.02
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(=O)[O-])=C1	REAL300000448223	0	31	-3.0	-188.68	313.35	4.20	-184.48
COC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000448224	0	41	-2.0	-133.26	357.16	5.49	-127.77
COC1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448225	0	35	-2.0	-95.42	325.83	5.08	-90.34
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448225	1	34	-3.0	-192.18	327.50	5.14	-187.04
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000448226	0	37	-3.0	-198.64	346.83	5.77	-192.87
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000448226	1	38	-2.0	-112.32	344.43	5.31	-107.01
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000448227	1	46	-2.0	-122.44	385.44	6.57	-115.87
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=CN1	REAL300000448228	0	36	-2.0	-125.29	336.02	2.85	-122.44
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000448229	0	34	-3.0	-187.69	326.55	5.14	-182.55
COC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000448229	1	35	-2.0	-107.70	324.13	4.69	-103.01
COC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000448230	0	35	-2.0	-99.55	331.64	5.40	-94.15
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000448231	1	35	-2.0	-121.97	313.42	5.32	-116.65
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=CC=C1C	REAL300000448232	1	41	-2.0	-123.18	363.47	5.70	-117.48
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=CS1	REAL300000448233	0	35	-2.0	-124.11	339.89	4.19	-119.92
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=CC=C1F	REAL300000448234	1	38	-2.0	-117.14	351.95	5.19	-111.95
COC1=CC=C([N-]S(=O)(=O)C2=C(C)N=C(C)S2)C(C(=O)[O-])=C1	REAL300000448235	0	34	-2.0	-122.74	317.85	3.09	-119.65
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C(C(=O)[O-])=C1	REAL300000448236	1	36	-2.0	-129.17	334.88	5.69	-123.48
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000448237	1	40	-2.0	-113.19	351.12	6.89	-106.30
COC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C(NC(C)=O)=C2)C(C(=O)[O-])=C1	REAL300000448238	1	40	-2.0	-105.01	352.49	1.39	-103.62
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C(=O)[O-])=C1	REAL300000448241	0	38	-2.0	-93.51	346.49	6.19	-87.32
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C(=O)[O-])=C1	REAL300000448241	1	37	-3.0	-189.79	350.53	6.28	-183.51
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)C(C(=O)[O-])=C1	REAL300000448242	1	38	-2.0	-119.58	346.85	6.29	-113.29
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448243	1	38	-2.0	-127.73	335.51	5.95	-121.78
COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C(C(=O)[O-])=C1	REAL300000448244	0	35	-2.0	-123.05	348.27	6.44	-116.61
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000448245	1	35	-2.0	-122.77	320.45	5.25	-117.52
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448247	0	38	-2.0	-121.25	350.52	3.97	-117.28
COC1=CC=C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448249	0	35	-2.0	-109.58	330.22	5.10	-104.48
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448249	1	34	-3.0	-188.76	331.91	5.17	-183.59
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448250	0	37	-2.0	-103.63	347.63	5.68	-97.95
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448250	1	36	-3.0	-185.81	349.28	5.74	-180.07
COC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C(C(=O)[O-])=C1	REAL300000448251	0	35	-2.0	-127.89	345.98	6.38	-121.51
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448252	0	42	-2.0	-133.53	375.56	4.97	-128.56
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448253	1	44	-2.0	-127.48	380.52	6.50	-120.98
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000448255	0	35	-2.0	-122.41	324.81	5.28	-117.13
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000448256	0	38	-2.0	-134.87	344.41	7.57	-127.30
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000448257	1	38	-2.0	-135.62	333.67	6.83	-128.79
COC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C(C(=O)[O-])=C1	REAL300000448258	0	34	-2.0	-124.05	324.61	3.99	-120.06
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(=O)[O-])=C1	REAL300000448259	0	35	-3.0	-193.60	330.80	2.78	-190.82
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000448259	1	35	-3.0	-199.03	324.80	3.66	-195.37
COC1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000448261	0	38	-2.0	-100.82	341.42	5.79	-95.03
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000448261	1	37	-3.0	-188.01	343.26	5.86	-182.15
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000448262	1	39	-2.0	-125.56	362.78	4.04	-121.52
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])O1	REAL300000448263	0	38	-2.0	-120.08	354.03	4.24	-115.84
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448264	0	34	-2.0	-113.63	327.26	5.25	-108.38
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)=O)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000448265	0	37	-2.0	-132.76	346.17	5.47	-127.29
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)C(C(=O)[O-])=C1	REAL300000448266	1	44	-2.0	-125.23	383.36	6.05	-119.18
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C(C(=O)[O-])=C1	REAL300000448267	0	35	-2.0	-135.36	335.35	5.22	-130.14
COC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])SC=C1	REAL300000448268	0	33	-2.0	-131.50	314.79	2.80	-128.70
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448269	1	41	-2.0	-135.76	374.79	2.93	-132.83
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)C(C(=O)[O-])=C1	REAL300000448270	0	38	-2.0	-128.36	349.37	5.62	-122.74
COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(C(=O)[O-])=C1	REAL300000448271	0	35	-2.0	-129.77	322.39	4.91	-124.86
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)C(C(=O)[O-])=C1	REAL300000448272	0	40	-2.0	-145.94	354.13	5.75	-140.19
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000448274	1	38	-2.0	-126.19	348.03	7.25	-118.94
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C3=C(F)C=CC=C3S2)C(C(=O)[O-])=C1	REAL300000448275	0	38	-2.0	-128.80	350.27	6.68	-122.12
COC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000448276	0	37	-2.0	-122.42	346.64	5.90	-116.52
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448277	0	34	-2.0	-130.42	325.87	3.26	-127.16
COC1=CC=C([N-]S(=O)(=O)C2=CN3N=C(C)C(Cl)=C3N=C2)C(C(=O)[O-])=C1	REAL300000448279	0	37	-2.0	-114.74	353.61	4.47	-110.27
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C(C(=O)[O-])=C1	REAL300000448280	1	34	-2.0	-117.59	340.90	4.42	-113.17
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C(C(=O)[O-])=C1	REAL300000448281	0	32	-2.0	-114.86	307.60	3.46	-111.40
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C(C(=O)[O-])=C1	REAL300000448282	0	32	-2.0	-133.53	312.97	3.34	-130.19
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC(OC)=C2)C(C(=O)[O-])=C1	REAL300000448283	1	40	-2.0	-129.87	351.61	3.12	-126.75
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C(C(=O)[O-])=C1	REAL300000448284	0	33	-2.0	-131.81	308.46	3.25	-128.56
COC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])C=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000448285	0	40	-2.0	-139.93	342.91	7.34	-132.59
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C(C(=O)[O-])=C1	REAL300000448286	0	33	-2.0	-114.71	314.84	2.35	-112.36
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(C)S2)C(C(=O)[O-])=C1	REAL300000448287	0	31	-2.0	-121.56	301.15	2.34	-119.22
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=CC=C1Cl	REAL300000448288	1	38	-2.0	-117.55	359.93	5.56	-111.99
COC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)C(C(=O)[O-])=C1	REAL300000448289	1	37	-2.0	-110.97	340.83	5.98	-104.99
COC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000448290	0	38	-2.0	-119.44	328.15	5.66	-113.78
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000448292	1	39	-2.0	-144.77	357.23	2.38	-142.39
COC1=CC=C(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448293	0	38	-2.0	-101.49	344.11	5.67	-95.82
COC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000448294	0	38	-2.0	-101.28	333.72	5.81	-95.47
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448295	0	38	-2.0	-135.91	351.58	5.63	-130.28
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000448296	0	33	-2.0	-121.32	321.92	5.20	-116.12
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C(C)N1	REAL300000448297	1	45	-2.0	-125.25	388.64	5.20	-120.05
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000448298	0	35	-2.0	-124.85	324.81	5.29	-119.56
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(OC)=C2)C(C(=O)[O-])=C1	REAL300000448299	0	38	-2.0	-113.59	348.15	5.26	-108.33
COC1=CC=C(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448300	0	41	-2.0	-101.86	351.99	6.07	-95.79
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C(C(=O)[O-])=C1	REAL300000448301	1	38	-2.0	-136.15	350.37	7.33	-128.82
COC1=CC=C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448302	0	37	-2.0	-104.55	345.94	6.12	-98.43
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448302	1	36	-3.0	-197.81	347.66	6.17	-191.64
COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C(C(=O)[O-])=C1	REAL300000448303	0	35	-2.0	-123.05	337.96	6.00	-117.05
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000448305	0	34	-3.0	-188.24	332.82	5.20	-183.04
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448306	1	37	-2.0	-114.52	345.67	5.84	-108.68
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448307	0	38	-2.0	-129.86	354.58	6.42	-123.44
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C(C(=O)[O-])=C1	REAL300000448308	0	31	-2.0	-121.75	311.59	3.96	-117.79
COC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000448309	0	38	-2.0	-133.67	338.06	4.90	-128.77
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=N1	REAL300000448310	0	37	-2.0	-116.26	343.36	3.34	-112.92
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C(C(=O)[O-])=C1	REAL300000448311	0	31	-2.0	-112.53	318.05	3.70	-108.83
COC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000448312	0	41	-2.0	-124.70	351.77	6.40	-118.30
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000448313	0	37	-3.0	-198.28	342.56	5.67	-192.61
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000448313	1	38	-2.0	-113.10	343.83	5.32	-107.78
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000448314	0	37	-3.0	-195.44	352.87	6.21	-189.23
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000448314	1	38	-2.0	-98.30	350.03	5.76	-92.54
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000448315	0	37	-3.0	-214.62	346.13	5.77	-208.85
COC1=CC=C(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000448315	1	38	-2.0	-119.93	343.80	5.31	-114.62
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000448316	0	32	-2.0	-112.05	319.87	5.00	-107.05
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448317	1	40	-2.0	-136.62	355.71	5.78	-130.84
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=N1	REAL300000448318	0	39	-2.0	-120.55	352.38	2.13	-118.42
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000448319	0	37	-2.0	-132.31	342.94	5.35	-126.96
CCC1=CC=C(S(=O)(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000448320	0	41	-2.0	-100.94	353.53	6.20	-94.74
COC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C(C(=O)[O-])=C1	REAL300000448321	0	43	-2.0	-122.73	369.78	3.05	-119.68
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)C(C(=O)[O-])=C1	REAL300000448324	0	36	-2.0	-135.14	329.88	5.31	-129.83
COC1=CC=C(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)C(C(=O)[O-])=C1	REAL300000448325	0	38	-2.0	-91.07	337.61	4.57	-86.50
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000448326	0	41	-2.0	-126.39	365.62	6.16	-120.23
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448327	0	38	-2.0	-133.13	339.95	5.27	-127.86
COC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C(C(=O)[O-])=C1	REAL300000448328	0	40	-2.0	-120.86	350.66	2.26	-118.60
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000448330	0	35	-2.0	-132.72	318.44	5.23	-127.49
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=N1	REAL300000448331	1	38	-2.0	-118.73	341.66	2.14	-116.59
COC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C(C(=O)[O-])=C1	REAL300000448332	0	39	-2.0	-141.04	338.57	4.55	-136.49
COC1=CC=C(NS(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448333	0	42	-2.0	-127.21	369.76	5.15	-122.06
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C1	REAL300000448334	1	39	-2.0	-125.41	347.70	4.25	-121.16
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2O)C(C(=O)[O-])=C1	REAL300000448335	0	37	-2.0	-125.21	331.89	1.50	-123.71
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000448336	0	35	-2.0	-127.38	324.49	5.65	-121.73
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C)=C2)C(C(=O)[O-])=C1	REAL300000448338	0	35	-2.0	-122.55	315.57	4.09	-118.46
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C(C(=O)[O-])=C1	REAL300000448339	0	38	-2.0	-131.80	338.87	2.19	-129.61
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448341	1	41	-2.0	-121.53	375.69	6.16	-115.37
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448342	1	39	-2.0	-125.14	339.24	4.55	-120.59
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000448343	0	41	-2.0	-114.71	365.81	4.82	-109.89
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)O2)C(C(=O)[O-])=C1	REAL300000448345	0	32	-2.0	-125.78	297.22	3.33	-122.45
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)S2)C(C(=O)[O-])=C1	REAL300000448346	0	35	-2.0	-126.72	326.27	4.93	-121.79
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000448348	0	40	-2.0	-143.72	346.25	6.27	-137.45
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C(C(=O)[O-])=C1	REAL300000448349	0	38	-2.0	-129.69	341.90	6.53	-123.16
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448350	0	38	-2.0	-128.80	344.26	5.97	-122.83
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000448351	0	34	-2.0	-110.46	325.38	5.21	-105.25
COC1=CC=C(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000448352	0	38	-2.0	-98.24	343.55	5.80	-92.44
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000448352	1	37	-3.0	-194.76	347.35	6.26	-188.50
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000448353	1	32	-2.0	-116.13	315.78	5.09	-111.04
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C(C)O1	REAL300000448354	0	38	-2.0	-117.20	350.49	4.07	-113.13
COC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000448355	0	31	-2.0	-116.07	304.37	3.21	-112.86
COC1=CC=C(NS(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448356	0	38	-2.0	-99.19	350.52	5.97	-93.22
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448356	1	37	-3.0	-200.27	352.31	6.03	-194.24
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])N=C1C	REAL300000448357	0	38	-2.0	-139.52	338.33	4.31	-135.21
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000448358	0	35	-2.0	-126.69	327.17	5.75	-120.94
CCN1C=C(S(=O)(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000448359	0	39	-2.0	-103.83	348.94	5.30	-98.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000448359	1	38	-3.0	-202.16	349.11	5.29	-196.87
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448360	0	35	-2.0	-123.94	332.51	3.26	-120.68
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448361	0	44	-2.0	-126.09	372.10	5.07	-121.02
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=CN1C	REAL300000448362	0	42	-2.0	-128.20	375.65	5.55	-122.65
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000448363	1	40	-2.0	-121.85	352.31	6.47	-115.38
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000448364	0	32	-2.0	-129.82	308.68	5.31	-124.51
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)C(C(=O)[O-])=C1	REAL300000448365	0	34	-2.0	-124.75	322.52	3.84	-120.91
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2OC)C(C(=O)[O-])=C1	REAL300000448366	0	37	-2.0	-122.81	341.67	4.70	-118.11
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(SC)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000448367	1	36	-2.0	-121.96	347.83	5.99	-115.97
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])S1	REAL300000448368	0	34	-2.0	-121.37	322.64	3.10	-118.27
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(OC)C=C3C(=O)[O-])C=C12	REAL300000448369	0	39	-2.0	-114.56	353.86	2.23	-112.33
COC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)S2)C(C(=O)[O-])=C1	REAL300000448370	0	34	-2.0	-119.26	330.75	4.85	-114.41
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000448372	0	35	-2.0	-114.64	333.47	2.49	-112.15
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(OC)C=C3C(=O)[O-])=CC=C21	REAL300000448373	1	41	-2.0	-121.05	368.56	5.48	-115.57
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000448374	0	34	-2.0	-113.80	328.12	3.84	-109.96
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448375	1	38	-2.0	-122.03	353.83	5.24	-116.79
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)C(C(=O)[O-])=C1	REAL300000448376	1	35	-2.0	-122.73	337.99	1.74	-120.99
COC1=CC=C([N-]S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)C(C(=O)[O-])=C1	REAL300000448377	0	47	-2.0	-125.14	391.02	5.97	-119.17
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C(C(=O)[O-])=C1	REAL300000448379	0	33	-2.0	-116.36	326.51	5.47	-110.89
COC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C(C(=O)[O-])=C1	REAL300000448380	0	35	-2.0	-136.15	320.56	4.83	-131.32
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448381	0	37	-2.0	-121.59	342.58	3.38	-118.21
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448382	0	43	-2.0	-135.67	382.77	4.61	-131.06
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C(C(=O)[O-])=C1	REAL300000448383	0	29	-2.0	-119.43	297.01	3.24	-116.19
COC1=CC=C([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)OC(C)=N2)C(C(=O)[O-])=C1	REAL300000448384	0	41	-2.0	-136.39	366.95	3.63	-132.76
COC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300000448385	1	40	-2.0	-119.99	352.32	6.47	-113.52
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C=C2OC)C(C(=O)[O-])=C1	REAL300000448386	1	42	-2.0	-133.96	356.17	6.27	-127.69
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000448387	0	32	-2.0	-121.77	313.70	4.92	-116.85
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448391	1	44	-2.0	-126.33	384.71	6.88	-119.45
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C(C(=O)[O-])=C1	REAL300000448392	0	32	-2.0	-117.13	327.80	5.63	-111.50
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000448393	0	32	-2.0	-118.47	321.62	4.74	-113.73
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C(OC)=C1	REAL300000448394	0	42	-2.0	-126.81	375.61	4.96	-121.85
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000448395	1	35	-2.0	-126.55	324.81	5.38	-121.17
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C(C(=O)[O-])=C1	REAL300000448396	0	35	-2.0	-120.94	336.87	5.58	-115.36
COC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000448397	0	35	-2.0	-119.76	331.70	3.37	-116.39
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2SC)C(C(=O)[O-])=C1	REAL300000448398	1	36	-2.0	-131.41	328.71	5.58	-125.83
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C(C(=O)[O-])=C1	REAL300000448399	1	35	-2.0	-126.36	337.99	1.75	-124.61
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000448401	0	40	-2.0	-120.85	362.06	5.80	-115.05
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C(C)=CS1	REAL300000448403	0	38	-2.0	-135.77	347.84	5.70	-130.07
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000448404	1	36	-2.0	-117.96	328.34	3.89	-114.07
COC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C(C(=O)[O-])=C1	REAL300000448405	0	31	-2.0	-132.10	305.32	4.91	-127.19
COC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C)C(C(=O)[O-])=C1	REAL300000448406	0	31	-2.0	-112.76	287.03	0.93	-111.83
COC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C(C(=O)[O-])=C1	REAL300000448407	1	37	-2.0	-120.21	336.98	3.64	-116.57
COC1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448408	0	31	-2.0	-114.63	313.80	4.29	-110.34
COC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C(C(=O)[O-])=C1	REAL300000448411	0	36	-2.0	-131.02	320.75	3.95	-127.07
COC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000448412	0	33	-2.0	-118.81	326.55	5.47	-113.34
COC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000448413	0	35	-2.0	-120.55	336.58	3.58	-116.97
COC1=CC=C([N-]S(=O)(=O)C2=C(OC)C=CC=C2OC)C(C(=O)[O-])=C1	REAL300000448415	0	40	-2.0	-140.50	346.60	5.02	-135.48
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2F)C(C(=O)[O-])=C1	REAL300000448417	0	35	-2.0	-130.22	312.22	5.50	-124.72
COC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C(C(=O)[O-])=C1	REAL300000448418	0	36	-2.0	-140.94	331.00	4.58	-136.36
COC1=CC=C([N-]S(=O)(=O)C2=C(C)N(CC3CC3)N=C2C)C(C(=O)[O-])=C1	REAL300000448419	0	45	-2.0	-125.02	382.82	5.97	-119.05
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)C(C(=O)[O-])=C1	REAL300000448420	0	40	-2.0	-144.01	350.51	5.69	-138.32
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000448422	1	36	-2.0	-128.76	343.88	1.81	-126.95
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000448423	0	33	-2.0	-132.97	317.39	2.82	-130.15
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CN=C2)C(C(=O)[O-])=C1	REAL300000448424	0	35	-2.0	-122.50	317.20	1.99	-120.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C1OC	REAL300000448425	1	42	-2.0	-121.53	374.69	5.24	-116.29
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2OC)C(C(=O)[O-])=C1	REAL300000448429	0	38	-2.0	-119.84	339.07	5.61	-114.23
COC1=CC=C(NS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448430	0	38	-2.0	-110.40	349.09	5.95	-104.45
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000448431	1	42	-2.0	-126.79	362.49	4.31	-122.48
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448432	0	41	-2.0	-140.07	359.73	6.83	-133.24
COC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)C(C(=O)[O-])=C1	REAL300000448433	0	38	-2.0	-132.11	353.84	6.06	-126.05
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(NC(C)=O)S2)C(C(=O)[O-])=C1	REAL300000448435	0	35	-2.0	-129.13	337.58	2.01	-127.12
COC1=CC=C([N-]S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)C(C(=O)[O-])=C1	REAL300000448435	1	34	-3.0	-196.81	334.28	0.88	-195.93
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C(F)=C2)C(C(=O)[O-])=C1	REAL300000448436	1	39	-2.0	-124.84	353.79	3.54	-121.30
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000448437	1	36	-2.0	-121.06	338.09	4.16	-116.90
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000448438	1	35	-2.0	-113.76	336.94	5.58	-108.18
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C(C(=O)[O-])=C1	REAL300000448439	0	37	-2.0	-123.59	349.42	0.14	-123.45
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C(C(=O)[O-])=C1	REAL300000448440	1	36	-2.0	-129.87	317.25	5.84	-124.03
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C(C(=O)[O-])=C1	REAL300000448441	1	36	-2.0	-128.66	334.88	5.67	-122.99
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C(C(=O)[O-])=C1	REAL300000448442	0	32	-2.0	-118.30	322.48	5.59	-112.71
COC1=CC=C([N-]S(=O)(=O)C2=C(C)ON=C2N)C(C(=O)[O-])=C1	REAL300000448444	0	33	-2.0	-115.54	300.16	1.89	-113.65
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C(C(=O)[O-])=C1	REAL300000448445	0	32	-2.0	-116.29	322.64	5.90	-110.39
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000448446	0	36	-2.0	-127.70	337.61	4.82	-122.88
COC1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000448447	1	33	-2.0	-119.74	320.12	3.29	-116.45
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2C)C(C(=O)[O-])=C1	REAL300000448450	1	39	-2.0	-126.80	337.59	4.59	-122.21
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C(C(=O)[O-])=C1	REAL300000448453	0	30	-2.0	-114.56	305.13	4.07	-110.49
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2)C(C(=O)[O-])=C1	REAL300000448454	1	34	-2.0	-122.97	309.23	3.35	-119.62
COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C(C(=O)[O-])=C1	REAL300000448455	0	37	-2.0	-126.84	333.81	4.88	-121.96
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C(F)=C1	REAL300000448456	0	38	-2.0	-125.16	352.87	5.24	-119.92
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C1F	REAL300000448457	1	38	-2.0	-118.79	351.93	5.20	-113.59
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448458	0	40	-2.0	-132.86	368.76	6.36	-126.50
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)C(C(=O)[O-])=C1	REAL300000448459	1	36	-2.0	-116.78	332.61	5.41	-111.37
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000448460	0	31	-2.0	-110.06	310.36	3.19	-106.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C(F)=C1	REAL300000448462	0	36	-2.0	-128.68	327.61	3.88	-124.80
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000448463	0	40	-2.0	-137.78	353.56	7.84	-129.94
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000448464	1	38	-2.0	-124.70	353.65	6.31	-118.39
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000448466	1	35	-2.0	-123.69	326.80	5.45	-118.24
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C(C(=O)[O-])=C1	REAL300000448467	1	42	-2.0	-132.12	366.82	7.93	-124.19
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=NN2C)C(C(=O)[O-])=C1	REAL300000448469	0	35	-2.0	-118.75	309.51	2.98	-115.77
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448470	0	41	-2.0	-129.36	374.75	6.15	-123.21
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C(C(=O)[O-])=C1	REAL300000448472	0	30	-2.0	-116.12	296.54	3.05	-113.07
COC1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C(C(=O)[O-])=C1	REAL300000448473	1	29	-2.0	-121.56	283.74	3.42	-118.14
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448474	0	43	-2.0	-135.81	375.95	4.03	-131.78
COC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000448475	0	38	-2.0	-103.45	336.23	5.63	-97.82
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)N=C2)C(C(=O)[O-])=C1	REAL300000448476	1	35	-2.0	-118.58	319.80	1.21	-117.37
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C(C(=O)[O-])=C1	REAL300000448477	0	32	-2.0	-124.82	314.85	5.10	-119.72
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448479	1	43	-2.0	-121.32	370.75	5.64	-115.68
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448480	0	41	-2.0	-127.34	370.15	7.29	-120.05
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000448481	0	41	-2.0	-126.79	365.98	7.00	-119.79
COC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000448482	0	35	-2.0	-128.42	329.12	5.88	-122.54
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448483	1	44	-2.0	-131.10	391.45	6.88	-124.22
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448484	0	38	-2.0	-139.35	353.32	6.55	-132.80
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])N(C)N=C1	REAL300000448485	0	41	-2.0	-126.24	363.70	4.51	-121.73
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=CC=C1C	REAL300000448486	1	44	-2.0	-123.74	385.33	6.63	-117.11
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C(C(=O)[O-])=C1	REAL300000448487	0	43	-2.0	-140.01	370.35	5.73	-134.28
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000448488	0	35	-2.0	-130.19	319.23	3.14	-127.05
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448490	1	39	-2.0	-128.77	343.98	4.74	-124.03
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000448491	0	32	-2.0	-125.75	314.96	5.37	-120.38
COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)C(C(=O)[O-])=C1	REAL300000448493	1	41	-2.0	-130.11	359.92	7.45	-122.66
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C(C(=O)[O-])=C1	REAL300000448494	0	29	-2.0	-120.90	300.60	3.96	-116.94
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CS2)C(C(=O)[O-])=C1	REAL300000448495	0	32	-2.0	-124.11	306.19	4.18	-119.93
COC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C(C(=O)[O-])=C1	REAL300000448497	0	29	-2.0	-120.08	290.91	1.33	-118.75
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C(C(=O)[O-])=C1	REAL300000448498	0	37	-2.0	-133.99	347.14	5.58	-128.41
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C(C(=O)[O-])=C1	REAL300000448499	0	31	-2.0	-120.54	299.55	2.63	-117.91
COC1=CC=C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)C(C(=O)[O-])=C1	REAL300000448500	0	41	-2.0	-120.48	357.16	3.58	-116.90
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000448501	1	41	-2.0	-119.61	361.80	3.07	-116.54
COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(C(=O)[O-])=C1	REAL300000448504	0	35	-2.0	-122.93	328.81	4.98	-117.95
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C(C(=O)[O-])=C1	REAL300000448505	0	35	-2.0	-127.93	345.13	6.51	-121.42
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448506	0	37	-2.0	-135.18	333.78	4.11	-131.07
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NS2)C(C(=O)[O-])=C1	REAL300000448507	0	31	-2.0	-117.58	301.12	2.81	-114.77
COC1=CC=C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000448509	0	36	-2.0	-104.44	335.13	4.07	-100.37
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C(C(=O)[O-])=C1	REAL300000448509	1	36	-2.0	-117.84	341.13	3.21	-114.63
COC1=CC=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000448510	0	38	-2.0	-119.36	346.09	5.81	-113.55
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C(C(=O)[O-])=C1	REAL300000448513	0	29	-2.0	-122.64	290.90	3.55	-119.09
COC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C(C(=O)[O-])=C1	REAL300000448515	0	38	-2.0	-138.90	353.45	2.94	-135.96
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000448516	0	35	-2.0	-125.12	331.26	3.37	-121.75
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C(C(=O)[O-])=C1	REAL300000448517	1	41	-2.0	-126.43	357.45	6.11	-120.32
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C(C(=O)[O-])=C1	REAL300000448518	1	33	-2.0	-113.37	319.34	4.95	-108.42
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C([N+](=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000448521	0	37	-2.0	-117.77	344.97	5.88	-111.89
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C(=O)[O-])=C1	REAL300000448522	0	38	-2.0	-101.78	337.09	5.46	-96.32
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C(C(=O)[O-])=C1	REAL300000448523	0	33	-2.0	-124.34	325.51	3.80	-120.54
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000448524	0	36	-3.0	-216.88	344.83	6.93	-209.95
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C(F)C=C1C	REAL300000448527	0	41	-2.0	-125.05	368.89	5.77	-119.28
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C(C(=O)[O-])=C1	REAL300000448528	0	32	-2.0	-115.56	325.20	4.71	-110.85
COC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000448529	0	37	-2.0	-130.49	329.62	1.42	-129.07
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)S2)C(C(=O)[O-])=C1	REAL300000448530	0	35	-2.0	-126.87	322.74	5.14	-121.73
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=CN=C1C	REAL300000448531	0	40	-2.0	-117.49	358.86	3.86	-113.63
COC1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448532	0	33	-2.0	-113.36	316.00	3.37	-109.99
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)C(C(=O)[O-])=C1	REAL300000448533	1	34	-2.0	-115.34	320.18	3.90	-111.44
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)C(C(=O)[O-])=C1	REAL300000448534	1	38	-2.0	-117.99	347.05	6.03	-111.96
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448535	1	41	-2.0	-131.25	369.58	5.95	-125.30
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C(C(=O)[O-])=C1	REAL300000448536	1	34	-2.0	-114.39	332.38	4.38	-110.01
COC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000448540	0	35	-2.0	-121.30	313.29	2.75	-118.55
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448542	1	45	-2.0	-139.05	386.58	5.38	-133.67
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C)C(C(=O)[O-])=C1	REAL300000448543	0	35	-2.0	-123.45	316.01	2.87	-120.58
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448544	1	39	-2.0	-124.99	364.44	4.74	-120.25
COC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000448545	0	32	-2.0	-114.26	308.47	3.12	-111.14
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C(C(=O)[O-])=C1	REAL300000448547	1	37	-2.0	-122.34	339.06	1.72	-120.62
COC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000448549	0	32	-2.0	-121.33	308.30	2.04	-119.29
COC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000448550	0	38	-2.0	-121.54	338.92	4.44	-117.10
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C(C(=O)[O-])=C1	REAL300000448552	1	34	-2.0	-122.81	340.81	4.44	-118.37
COC1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C(C(=O)[O-])=C1	REAL300000448553	0	40	-2.0	-115.48	363.77	3.08	-112.40
COC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C(C(=O)[O-])=C1	REAL300000448555	0	35	-2.0	-119.53	329.86	2.08	-117.45
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000448556	1	36	-2.0	-118.84	338.15	4.37	-114.47
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C(C(=O)[O-])=C1	REAL300000448557	0	36	-2.0	-133.29	344.20	1.15	-132.14
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000448558	0	34	-3.0	-213.27	324.72	5.10	-208.17
COC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000448558	1	35	-2.0	-119.09	322.36	4.64	-114.45
COC1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C(C(=O)[O-])=C1	REAL300000448559	0	29	-2.0	-128.49	291.98	2.52	-125.97
COC1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C(C(=O)[O-])=C1	REAL300000448560	0	34	-2.0	-137.29	323.83	3.94	-133.35
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C(C(=O)[O-])=C1	REAL300000448561	1	37	-2.0	-129.05	328.43	4.35	-124.70
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000448563	0	38	-2.0	-136.74	343.14	6.82	-129.92
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C(C(=O)[O-])=C1	REAL300000448564	0	35	-2.0	-130.61	332.77	3.58	-127.03
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448565	0	38	-2.0	-134.55	361.06	6.06	-128.49
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000448567	0	35	-2.0	-126.37	319.75	6.01	-120.36
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000448568	0	36	-2.0	-121.74	337.04	4.64	-117.10
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C(C(=O)[O-])=C1	REAL300000448569	0	37	-2.0	-137.26	328.93	4.33	-132.93
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C1F	REAL300000448570	1	41	-2.0	-126.74	375.04	6.00	-120.74
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC3=C(C)C=CC=C32)C(C(=O)[O-])=C1	REAL300000448571	0	41	-2.0	-129.95	363.71	7.51	-122.44
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000448577	0	35	-2.0	-133.06	322.53	5.47	-127.59
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C(C(=O)[O-])=C1	REAL300000448578	0	31	-2.0	-116.37	317.66	3.71	-112.66
COC1=CC=C([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000448579	0	32	-2.0	-117.24	316.19	2.67	-114.57
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C(C(=O)[O-])=C1	REAL300000448580	1	37	-2.0	-124.56	336.47	2.97	-121.59
COC1=CC=C(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448582	0	38	-2.0	-109.05	340.41	5.57	-103.48
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448582	1	37	-3.0	-194.05	342.25	5.65	-188.40
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000448584	0	36	-2.0	-127.55	327.29	4.37	-123.18
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C(C(=O)[O-])=C1	REAL300000448585	1	35	-2.0	-114.35	332.22	3.62	-110.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000448586	1	40	-2.0	-123.73	355.08	6.35	-117.38
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000448587	0	48	-2.0	-135.08	397.06	6.63	-128.45
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(OC)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000448589	0	35	-2.0	-115.14	335.87	1.75	-113.39
COC1=CC=C([N-]S(=O)(=O)C2=CON=C2C)C(C(=O)[O-])=C1	REAL300000448590	0	31	-2.0	-114.85	289.57	2.47	-112.38
COC1=CC=C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000448591	1	36	-2.0	-120.89	342.70	2.67	-118.22
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C(C(=O)[O-])=C1	REAL300000448592	1	35	-2.0	-120.18	328.08	5.62	-114.56
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000448593	1	38	-2.0	-135.58	340.74	5.50	-130.08
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448594	0	41	-2.0	-131.34	373.18	5.86	-125.48
COC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC(C)=C2)C(C(=O)[O-])=C1	REAL300000448595	0	34	-2.0	-132.63	327.21	5.71	-126.92
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C(C(=O)[O-])=C1	REAL300000448597	1	35	-2.0	-118.71	334.63	2.71	-116.00
COC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C(C(=O)[O-])=C1	REAL300000448598	0	31	-2.0	-129.05	293.13	2.70	-126.35
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C(C(=O)[O-])=C1	REAL300000448601	0	31	-2.0	-114.24	294.04	2.66	-111.58
COC1=CC=C([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)C(C(=O)[O-])=C1	REAL300000448603	0	34	-2.0	-124.05	343.22	4.49	-119.56
COC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C(C(=O)[O-])=C1	REAL300000448604	0	30	-2.0	-128.30	303.01	3.91	-124.39
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448605	0	39	-2.0	-128.39	360.38	6.27	-122.12
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000448608	1	32	-2.0	-115.58	315.21	5.08	-110.50
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C(C(=O)[O-])=C1	REAL300000448609	0	41	-2.0	-135.84	354.32	4.87	-130.97
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C(C(=O)[O-])=C1	REAL300000448610	1	39	-2.0	-129.56	357.74	2.37	-127.19
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C(C(=O)[O-])=C1	REAL300000448611	0	40	-2.0	-136.05	344.81	5.72	-130.33
COC1=CC=C([N-]S(=O)(=O)C2=COC(C(=O)N(C)C)=C2C)C(C(=O)[O-])=C1	REAL300000448612	0	42	-2.0	-126.63	365.56	3.41	-123.22
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C(F)=C1	REAL300000448613	0	41	-2.0	-124.62	374.74	6.17	-118.45
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000448619	1	39	-2.0	-136.88	348.55	1.95	-134.93
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])N(C)N=C1	REAL300000448622	0	38	-2.0	-125.60	341.84	3.58	-122.02
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(C)N2C)C(C(=O)[O-])=C1	REAL300000448626	0	35	-2.0	-123.19	311.78	3.56	-119.63
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448627	1	45	-2.0	-126.92	382.66	6.19	-120.73
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000448630	0	37	-2.0	-129.82	337.87	6.61	-123.21
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=CN1CC1CC1	REAL300000448631	0	45	-2.0	-140.82	391.49	6.47	-134.35
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])O1	REAL300000448632	0	38	-2.0	-120.81	350.06	3.89	-116.92
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CN(C(C)=O)CC3=C2)C(C(=O)[O-])=C1	REAL300000448633	1	43	-2.0	-131.59	376.41	5.01	-126.58
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000448634	0	35	-2.0	-122.77	332.37	4.02	-118.75
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000448635	1	40	-2.0	-122.00	356.69	6.83	-115.17
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C(C(=O)[O-])=C1	REAL300000448636	0	35	-2.0	-111.32	333.22	3.18	-108.14
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C(C(=O)[O-])=C1	REAL300000448637	0	31	-2.0	-121.52	310.00	3.12	-118.40
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C(C(=O)[O-])=C1	REAL300000448638	1	42	-2.0	-139.61	358.72	7.92	-131.69
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000448640	0	35	-2.0	-130.05	324.71	5.29	-124.76
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])OC=C1	REAL300000448641	0	35	-2.0	-132.78	324.76	3.97	-128.81
COC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000448643	0	34	-2.0	-137.55	319.72	3.49	-134.06
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C(C)=N1	REAL300000448644	0	44	-2.0	-123.19	380.54	5.28	-117.91
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(=O)[O-])=C1	REAL300000448646	0	33	-3.0	-200.85	317.30	3.20	-197.65
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)C(C(=O)[O-])=C1	REAL300000448647	0	36	-2.0	-120.05	321.49	4.50	-115.55
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C(C(=O)[O-])=C1	REAL300000448649	1	44	-2.0	-123.27	370.84	6.77	-116.50
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000448650	1	33	-2.0	-114.68	319.89	4.97	-109.71
COC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000448651	0	35	-2.0	-118.60	325.77	3.15	-115.45
COC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C(C(=O)[O-])=C1	REAL300000448652	0	34	-2.0	-137.49	315.79	3.70	-133.79
COC1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C(C(=O)[O-])=C1	REAL300000448652	1	34	-2.0	-124.33	315.90	3.56	-120.77
COC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000448653	0	36	-2.0	-134.93	326.36	4.48	-130.45
COC1=CC=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000448654	0	42	-2.0	-124.01	353.62	4.63	-119.38
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000448655	0	44	-2.0	-120.95	358.03	5.05	-115.90
COC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000448657	0	42	-2.0	-124.12	360.03	4.87	-119.25
COC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C(C(=O)[O-])=C1	REAL300000448658	0	35	-2.0	-116.01	326.94	3.40	-112.61
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2Br)C(C(=O)[O-])=C1	REAL300000448659	0	32	-2.0	-122.52	317.82	2.72	-119.80
COC1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000448663	0	33	-2.0	-105.89	302.82	3.14	-102.75
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C(C(=O)[O-])=C1	REAL300000448663	1	33	-2.0	-118.77	308.81	2.27	-116.50
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448665	0	35	-2.0	-138.83	323.63	2.17	-136.66
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448666	0	38	-2.0	-120.55	331.80	3.56	-116.99
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)C(C(=O)[O-])=C1	REAL300000448667	1	37	-2.0	-124.32	339.92	5.08	-119.24
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C(C(=O)[O-])=C1	REAL300000448668	0	32	-2.0	-117.30	297.83	1.87	-115.43
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2C#N)C(C(=O)[O-])=C1	REAL300000448669	0	36	-2.0	-132.60	332.12	5.47	-127.13
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000448670	0	36	-2.0	-131.09	324.34	5.74	-125.35
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C(C(=O)[O-])=C1	REAL300000448674	1	39	-2.0	-128.43	356.38	6.47	-121.96
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448676	0	32	-2.0	-114.77	311.87	0.31	-114.46
COC1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C(C(=O)[O-])=C1	REAL300000448678	0	28	-2.0	-116.93	279.36	2.22	-114.71
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C(=O)[O-])=C1	REAL300000448681	0	38	-3.0	-191.63	349.29	4.87	-186.76
COC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C(=O)[O-])=C1	REAL300000448681	1	39	-2.0	-112.38	346.44	4.82	-107.56
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000448682	0	36	-2.0	-120.67	332.13	0.12	-120.55
COC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000448684	0	32	-2.0	-128.46	306.99	4.63	-123.83
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448686	0	31	-3.0	-184.77	321.19	4.05	-180.72
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C(C(=O)[O-])=C1	REAL300000448687	1	37	-2.0	-136.31	328.87	5.02	-131.29
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448688	0	39	-2.0	-126.78	354.04	4.71	-122.07
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C(C(=O)[O-])=C1	REAL300000448689	0	33	-2.0	-128.46	318.41	4.94	-123.52
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=N2)C(C(=O)[O-])=C1	REAL300000448690	0	31	-2.0	-126.94	291.42	0.83	-126.11
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448691	0	35	-2.0	-115.80	347.19	3.80	-112.00
COC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000448692	0	39	-2.0	-123.74	342.52	4.20	-119.54
COC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C(C(=O)[O-])=C1	REAL300000448693	0	39	-2.0	-121.31	339.91	4.40	-116.91
COC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C(C(=O)[O-])=C1	REAL300000448694	0	42	-2.0	-122.41	361.83	5.13	-117.28
COC1=CC=C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C(=O)[O-])=C1	REAL300000448695	0	33	-2.0	-102.69	328.94	4.08	-98.61
COC1=CC=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C(C(=O)[O-])=C1	REAL300000448696	0	43	-2.0	-130.99	367.67	2.51	-128.48
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C(C(=O)[O-])=C1	REAL300000448697	0	38	-2.0	-125.68	359.46	5.42	-120.26
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C(C(=O)[O-])=C1	REAL300000448698	1	38	-2.0	-122.77	343.35	1.75	-121.02
COC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C(C(=O)[O-])=C1	REAL300000448699	0	29	-2.0	-122.52	293.28	3.25	-119.27
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(OC)C(F)=C2)C(C(=O)[O-])=C1	REAL300000448700	1	36	-2.0	-114.72	338.50	4.06	-110.66
COC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C(C(=O)[O-])=C1	REAL300000448701	0	39	-2.0	-129.29	337.01	4.54	-124.75
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(OC)C=C2F)C(C(=O)[O-])=C1	REAL300000448702	0	36	-2.0	-122.29	333.80	3.95	-118.34
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C(C(=O)[O-])=C1	REAL300000448704	0	42	-2.0	-130.89	367.08	5.91	-124.98
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC=C2C)C(C(=O)[O-])=C1	REAL300000448705	1	35	-2.0	-122.35	317.36	5.19	-117.16
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C(C(=O)[O-])=C1	REAL300000448706	0	40	-2.0	-138.17	350.05	5.10	-133.07
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000448707	0	40	-2.0	-123.19	361.30	4.18	-119.01
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C(C(=O)[O-])=C1	REAL300000448708	1	40	-2.0	-128.99	360.87	6.73	-122.26
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC(F)=C2OC)C(C(=O)[O-])=C1	REAL300000448709	0	36	-2.0	-129.39	329.09	5.18	-124.21
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C(C(=O)[O-])=C1	REAL300000448710	0	38	-2.0	-131.74	346.33	5.13	-126.61
COC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C(C(=O)[O-])=C1	REAL300000448711	0	29	-2.0	-121.56	298.05	3.95	-117.61
COC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=NN2C)C(C(=O)[O-])=C1	REAL300000448712	0	32	-2.0	-113.24	313.56	2.69	-110.55
COC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000448713	0	34	-2.0	-114.86	326.51	3.67	-111.19
COC1=CC=C([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)C(C(=O)[O-])=C1	REAL300000448714	0	37	-2.0	-141.22	333.31	4.12	-137.10
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448715	0	34	-2.0	-112.79	307.85	1.85	-110.94
COC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C(C(=O)[O-])=C1	REAL300000448717	1	33	-2.0	-113.52	307.51	3.31	-110.21
COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C(C(=O)[O-])=C1	REAL300000448718	0	35	-2.0	-128.99	331.46	5.94	-123.05
COC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C(C(=O)[O-])=C1	REAL300000448719	0	35	-2.0	-140.11	337.53	4.22	-135.89
COC1=CC=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C(C(=O)[O-])=C1	REAL300000448720	0	39	-2.0	-120.14	344.57	4.24	-115.90
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)C(C(=O)[O-])=C1	REAL300000448722	0	40	-2.0	-125.76	344.48	4.27	-121.49
COC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000448724	0	35	-2.0	-129.37	322.40	4.79	-124.58
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC(OC)=C2OC)C(C(=O)[O-])=C1	REAL300000448725	0	40	-2.0	-135.58	352.11	4.84	-130.74
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C(C(=O)[O-])=C1	REAL300000448726	0	45	-2.0	-129.09	381.37	5.42	-123.67
COC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000448727	0	36	-2.0	-129.73	343.46	6.46	-123.27
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C(C(=O)[O-])=C1	REAL300000448728	0	39	-2.0	-126.13	347.89	4.44	-121.69
COC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000448730	0	35	-2.0	-134.27	322.06	3.72	-130.55
COC1=CC=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C(C(=O)[O-])=C1	REAL300000448731	0	37	-2.0	-145.63	337.17	2.91	-142.72
COC1=CC=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000448732	0	39	-2.0	-125.97	333.30	6.48	-119.49
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)C(C(=O)[O-])=C1	REAL300000448733	1	36	-2.0	-125.25	320.63	2.22	-123.03
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448734	0	32	-2.0	-122.66	309.91	0.38	-122.28
COC1=CC=C([N-]S(=O)(=O)C2=C(C)NC=N2)C(C(=O)[O-])=C1	REAL300000448735	0	32	-2.0	-133.10	291.74	2.62	-130.48
COC1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C(C(=O)[O-])=C1	REAL300000448737	1	35	-2.0	-123.21	326.35	4.90	-118.31
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000448738	0	42	-2.0	-127.86	364.15	4.92	-122.94
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C(C(=O)[O-])=C1	REAL300000448740	0	29	-2.0	-121.01	298.46	4.05	-116.96
COC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000448741	0	42	-2.0	-124.37	366.62	5.16	-119.21
COC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C(C(=O)[O-])=C1	REAL300000448742	0	36	-2.0	-129.86	330.75	5.63	-124.23
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)C(C(=O)[O-])=C1	REAL300000448743	1	45	-2.0	-134.74	382.44	2.92	-131.82
COC1=CC=C([N-]S(=O)(=O)C2=C(OC)C=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000448744	0	41	-2.0	-152.71	358.04	5.72	-146.99
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448745	1	41	-2.0	-127.91	357.01	6.73	-121.18
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448746	0	38	-2.0	-116.91	347.91	2.92	-113.99
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000448747	0	33	-2.0	-126.45	317.14	4.87	-121.58
COC1=CC=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000448748	0	39	-2.0	-124.70	338.32	4.05	-120.65
COC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448749	0	36	-2.0	-110.50	349.07	5.86	-104.64
COC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000448752	0	41	-2.0	-117.79	339.61	4.42	-113.37
COC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000448753	0	41	-2.0	-124.21	357.12	4.23	-119.98
COC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000448754	0	39	-2.0	-124.19	341.20	3.61	-120.58
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)C(C(=O)[O-])=C1	REAL300000448755	0	37	-2.0	-114.89	343.54	4.33	-110.56
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000448756	1	43	-2.0	-123.61	366.89	5.32	-118.29
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448757	1	34	-2.0	-107.18	331.64	5.26	-101.92
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000448758	1	35	-2.0	-115.12	337.77	5.59	-109.53
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C(C(=O)[O-])=C1	REAL300000448759	1	35	-2.0	-124.55	320.62	5.33	-119.22
COC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C(C(=O)[O-])=C1	REAL300000448760	0	32	-2.0	-122.28	314.20	4.89	-117.39
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000448761	0	32	-2.0	-115.76	324.37	4.62	-111.14
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NN2C)C(C(=O)[O-])=C1	REAL300000448762	0	35	-2.0	-118.70	313.79	2.78	-115.92
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000448765	1	35	-2.0	-132.44	312.25	5.78	-126.66
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448766	1	43	-2.0	-135.94	377.20	6.55	-129.39
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)C(C(=O)[O-])=C1	REAL300000448768	1	42	-2.0	-128.81	372.87	6.20	-122.61
COC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000448770	0	37	-2.0	-120.14	351.40	4.99	-115.15
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(COC(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000448771	1	41	-2.0	-126.04	371.04	6.17	-119.87
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C(C(=O)[O-])=C1	REAL300000448772	0	33	-2.0	-123.73	325.24	5.36	-118.37
COC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000448773	0	32	-2.0	-123.20	312.19	4.75	-118.45
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C(C(=O)[O-])=C1	REAL300000448774	1	39	-2.0	-128.38	341.84	6.62	-121.76
COC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=CS1	REAL300000448775	0	33	-2.0	-128.70	314.89	2.96	-125.74
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000448776	0	35	-2.0	-120.95	323.68	5.93	-115.02
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448777	0	38	-2.0	-120.43	357.60	4.82	-115.61
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C(C(=O)[O-])=C1	REAL300000448778	0	39	-2.0	-130.83	347.33	6.68	-124.15
COC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C(C(=O)[O-])=C1	REAL300000448779	0	42	-2.0	-122.14	357.44	5.11	-117.03
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448780	0	41	-2.0	-121.36	352.58	4.40	-116.96
COC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)C(C(=O)[O-])=C1	REAL300000448783	0	35	-2.0	-133.93	346.56	1.01	-132.92
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C(C(=O)[O-])=C1	REAL300000448784	0	37	-2.0	-136.76	336.23	2.87	-133.89
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])O1	REAL300000448785	0	35	-2.0	-125.86	318.71	4.11	-121.75
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C(C(=O)[O-])=C1	REAL300000448786	0	32	-2.0	-117.66	316.48	3.73	-113.93
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2OC)C(C(=O)[O-])=C1	REAL300000448787	0	36	-2.0	-119.34	333.58	4.42	-114.92
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)C(C(=O)[O-])=C1	REAL300000448788	0	46	-2.0	-125.39	390.96	3.65	-121.74
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000448789	1	38	-2.0	-126.64	345.84	6.05	-120.59
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C(C(=O)[O-])=C1	REAL300000448790	1	36	-2.0	-125.45	331.88	4.10	-121.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])S1	REAL300000448792	0	33	-2.0	-122.00	316.40	2.96	-119.04
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000448793	0	43	-2.0	-144.81	364.07	6.81	-138.00
COC1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C(C(=O)[O-])=C1	REAL300000448795	0	35	-2.0	-119.52	325.30	3.22	-116.30
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448796	1	42	-2.0	-127.97	369.55	5.20	-122.77
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)C(C(=O)[O-])=C1	REAL300000448797	0	35	-2.0	-120.01	344.30	3.97	-116.04
COC1=CC=C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C(C(=O)[O-])=C1	REAL300000448798	0	42	-2.0	-122.64	372.29	5.71	-116.93
COC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000448799	0	45	-2.0	-123.62	379.01	5.45	-118.17
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C(C(=O)[O-])=C1	REAL300000448801	1	35	-2.0	-125.37	313.19	5.48	-119.89
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448802	1	44	-2.0	-128.93	381.32	7.45	-121.48
COC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C(C(=O)[O-])=C1	REAL300000448803	0	35	-2.0	-132.43	319.63	4.87	-127.56
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C(C(=O)[O-])=C1	REAL300000448804	1	34	-2.0	-127.77	323.58	3.90	-123.87
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=N1	REAL300000448805	0	34	-2.0	-123.14	313.33	1.38	-121.76
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1Cl	REAL300000448806	0	35	-2.0	-118.79	334.29	3.44	-115.35
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C(C(=O)[O-])=C1	REAL300000448807	0	34	-2.0	-120.07	333.64	3.79	-116.28
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C(C(=O)[O-])=C1	REAL300000448808	0	29	-2.0	-118.90	292.37	3.13	-115.77
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C(C(=O)[O-])=C1	REAL300000448809	1	37	-2.0	-135.09	345.82	5.49	-129.60
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000448810	1	41	-2.0	-136.66	351.39	7.36	-129.30
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000448812	0	32	-2.0	-120.35	320.14	5.13	-115.22
COC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C)O2)C(C(=O)[O-])=C1	REAL300000448813	0	38	-2.0	-139.20	356.25	0.81	-138.39
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000448814	0	42	-2.0	-129.58	368.31	5.87	-123.71
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000448816	0	36	-2.0	-126.32	336.45	5.83	-120.49
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000448817	1	35	-2.0	-112.84	338.09	5.32	-107.52
COC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C(C(=O)[O-])=C1	REAL300000448819	0	28	-2.0	-113.45	296.56	2.93	-110.52
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CO2)C(C(=O)[O-])=C1	REAL300000448820	0	32	-2.0	-124.80	297.21	3.18	-121.62
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=NN1	REAL300000448822	0	38	-2.0	-122.97	352.99	2.31	-120.66
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1OC	REAL300000448823	0	37	-2.0	-123.33	345.57	2.53	-120.80
COC1=CC=C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000448824	0	33	-2.0	-89.33	326.42	3.11	-86.22
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000448825	0	31	-2.0	-109.54	310.25	3.15	-106.39
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C(C(=O)[O-])=C1	REAL300000448826	1	36	-2.0	-124.01	338.12	4.16	-119.85
COC1=CC=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C(C(=O)[O-])=C1	REAL300000448827	0	38	-2.0	-124.90	336.02	4.52	-120.38
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000448828	1	39	-2.0	-134.27	346.34	6.28	-127.99
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000448829	0	35	-2.0	-126.39	323.31	5.91	-120.48
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000448830	0	29	-2.0	-113.20	317.69	4.61	-108.59
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000448831	0	32	-2.0	-118.19	312.49	2.57	-115.62
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000448832	1	37	-2.0	-120.98	344.10	5.15	-115.83
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C(C(=O)[O-])=C1	REAL300000448833	1	43	-2.0	-129.58	381.36	7.36	-122.22
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C(C(=O)[O-])=C1	REAL300000448834	1	38	-2.0	-135.63	329.02	6.31	-129.32
COC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C(C(=O)[O-])=C1	REAL300000448835	0	30	-2.0	-121.96	296.78	2.97	-118.99
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C(C(=O)[O-])=C1	REAL300000448836	1	37	-2.0	-120.98	347.48	3.11	-117.87
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C(C(=O)[O-])=C1	REAL300000448837	0	33	-2.0	-126.30	334.12	3.31	-122.99
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])S1	REAL300000448838	0	41	-2.0	-129.14	374.54	3.57	-125.57
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])S1	REAL300000448838	1	40	-3.0	-198.22	370.29	2.47	-195.75
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)C(C(=O)[O-])=C1	REAL300000448839	0	34	-2.0	-113.71	320.37	3.91	-109.80
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448840	1	43	-2.0	-129.57	376.29	6.14	-123.43
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000448841	0	42	-2.0	-126.59	369.42	5.31	-121.28
COC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000448842	0	36	-2.0	-130.07	330.86	3.87	-126.20
COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C(C(=O)[O-])=C1	REAL300000448843	1	38	-2.0	-124.10	355.27	7.29	-116.81
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NN2C2CCCC2)C(C(=O)[O-])=C1	REAL300000448846	0	45	-2.0	-123.00	380.52	5.65	-117.35
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(C(=O)[O-])=C1	REAL300000448847	0	29	-2.0	-120.50	291.37	3.02	-117.48
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C(C(=O)[O-])=C1	REAL300000448848	0	29	-2.0	-118.37	301.43	4.03	-114.34
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300000448849	0	46	-2.0	-133.16	397.45	4.81	-128.35
COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C(C(=O)[O-])=C1	REAL300000448850	0	38	-2.0	-129.79	351.47	7.35	-122.44
COC1=CC=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000448851	0	40	-2.0	-122.04	344.90	2.26	-119.78
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)N=C2C)C(C(=O)[O-])=C1	REAL300000448856	1	38	-2.0	-118.18	335.47	1.95	-116.23
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)C(C(=O)[O-])=C1	REAL300000448857	0	38	-2.0	-130.43	340.04	2.34	-128.09
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2OC)C(C(=O)[O-])=C1	REAL300000448858	0	35	-2.0	-122.96	335.34	2.18	-120.78
COC1=CC=C([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)C(C(=O)[O-])=C1	REAL300000448859	1	38	-2.0	-120.08	339.94	1.93	-118.15
COC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000448860	0	41	-2.0	-122.76	360.04	4.61	-118.15
COC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)C(C(=O)[O-])=C1	REAL300000448861	0	41	-2.0	-124.38	356.23	4.24	-120.14
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C(C(=O)[O-])=C1	REAL300000448862	0	31	-2.0	-120.99	319.96	2.50	-118.49
COC1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C(C(=O)[O-])=C1	REAL300000448863	0	30	-2.0	-124.89	295.55	2.93	-121.96
COC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C(C(=O)[O-])=C1	REAL300000448864	0	30	-2.0	-120.18	304.68	3.85	-116.33
COC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C(C(=O)[O-])=C1	REAL300000448865	0	38	-2.0	-120.00	334.35	3.77	-116.23
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C1C	REAL300000448866	0	40	-2.0	-117.31	359.40	3.89	-113.42
COC1=CC=C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(=O)[O-])=C1	REAL300000448867	0	42	-2.0	-109.13	365.46	6.90	-102.23
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(=O)[O-])=C1	REAL300000448867	1	41	-3.0	-197.64	365.68	6.92	-190.72
COC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000448868	0	35	-2.0	-129.66	334.53	6.31	-123.35
COC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C(C(=O)[O-])=C1	REAL300000448869	0	39	-2.0	-119.38	344.83	4.63	-114.75
COC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000448870	0	39	-2.0	-127.09	346.34	5.66	-121.43
COC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000448872	0	41	-2.0	-122.72	357.11	4.27	-118.45
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C(C(=O)[O-])=C1	REAL300000448873	1	39	-2.0	-131.01	352.50	6.72	-124.29
COC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000448874	0	34	-2.0	-121.10	319.97	3.54	-117.56
COC1=CC=C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)C(C(=O)[O-])=C1	REAL300000448875	0	32	-2.0	-121.44	332.03	0.64	-120.80
COC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C(C(=O)[O-])=C1	REAL300000448878	0	36	-2.0	-128.52	343.08	4.98	-123.54
COC1=CC=C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(=O)[O-])=C1	REAL300000448879	0	42	-2.0	-101.06	364.92	6.90	-94.16
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(=O)[O-])=C1	REAL300000448879	1	41	-3.0	-206.67	365.17	6.93	-199.74
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C(C(=O)[O-])=C1	REAL300000448880	1	33	-2.0	-126.84	303.64	1.66	-125.18
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448881	1	41	-2.0	-127.93	359.45	6.53	-121.40
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000448882	0	35	-2.0	-134.67	332.29	5.51	-129.16
COC1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C(C(=O)[O-])=C1	REAL300000448883	0	28	-2.0	-114.81	278.28	2.12	-112.69
COC1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000448884	0	36	-2.0	-138.81	340.51	3.78	-135.03
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C(C(=O)[O-])=C1	REAL300000448885	1	39	-2.0	-134.43	348.45	6.82	-127.61
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2Cl)C(C(=O)[O-])=C1	REAL300000448886	0	35	-2.0	-124.27	339.68	6.12	-118.15
COC1=CC=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000448887	0	39	-2.0	-126.60	360.53	5.57	-121.03
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C=C2C(F)F)C(C(=O)[O-])=C1	REAL300000448888	1	39	-2.0	-126.25	343.64	5.01	-121.24
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448889	0	37	-2.0	-131.83	333.41	4.09	-127.74
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(OC)C=C1C(=O)[O-]	REAL300000448890	0	38	-2.0	-143.22	345.31	6.01	-137.21
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000448891	0	40	-2.0	-144.42	350.33	5.68	-138.74
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000448892	0	37	-3.0	-187.35	339.42	4.97	-182.38
CCC1=C(S(=O)(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000448892	1	38	-2.0	-96.94	339.60	4.61	-92.33
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)C(C(=O)[O-])=C1	REAL300000448893	0	45	-2.0	-137.03	382.09	6.50	-130.53
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000448894	1	32	-2.0	-115.95	317.87	4.92	-111.03
COC1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C(C(=O)[O-])=C1	REAL300000448895	0	28	-2.0	-119.71	279.21	1.63	-118.08
COC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000448896	0	39	-2.0	-124.67	338.35	3.83	-120.84
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C(C(=O)[O-])=C1	REAL300000448897	0	35	-2.0	-131.73	319.53	5.24	-126.49
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=CC=C1F	REAL300000448898	0	29	-2.0	-90.95	300.06	3.50	-87.45
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1	REAL300000448899	0	29	-2.0	-91.92	295.49	3.47	-88.45
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448900	0	29	-2.0	-90.54	295.51	3.46	-87.08
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C=C1F	REAL300000448901	0	33	-2.0	-104.05	322.76	2.80	-101.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C([O-])C=C1F	REAL300000448901	1	32	-3.0	-181.82	323.52	3.34	-178.48
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1	REAL300000448902	0	33	-2.0	-92.89	326.95	4.76	-88.13
CC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1C(=O)[O-]	REAL300000448903	0	32	-2.0	-106.95	311.37	3.99	-102.96
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448904	0	29	-2.0	-96.55	307.53	3.65	-92.90
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448904	1	28	-3.0	-171.45	308.45	4.11	-167.34
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=CC=C1Cl	REAL300000448905	0	29	-2.0	-88.29	308.05	3.86	-84.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1C	REAL300000448906	0	35	-2.0	-106.10	326.38	4.42	-101.68
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448907	0	28	-3.0	-173.07	300.86	3.60	-169.47
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448907	1	29	-2.0	-87.05	299.11	3.16	-83.89
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1	REAL300000448908	0	35	-2.0	-88.76	339.16	5.06	-83.70
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448909	0	25	-3.0	-168.63	288.57	2.55	-166.08
O=C([O-])C1=CSC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448909	1	26	-2.0	-88.90	290.32	2.54	-86.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C=C1F	REAL300000448910	0	32	-2.0	-103.80	311.91	4.31	-99.49
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1	REAL300000448911	0	33	-2.0	-90.01	326.56	3.75	-86.26
CN1C=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1C(=O)[O-]	REAL300000448912	0	30	-2.0	-91.05	303.78	2.85	-88.20
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C=C1F	REAL300000448913	0	33	-2.0	-105.19	317.68	1.91	-103.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448914	0	28	-3.0	-166.27	300.06	3.31	-162.96
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448914	1	29	-2.0	-95.19	306.26	3.20	-91.99
CC1=CC(C)=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1C(=O)[O-]	REAL300000448915	0	35	-2.0	-104.50	328.10	4.85	-99.65
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=CS1	REAL300000448916	0	26	-2.0	-89.75	288.51	2.53	-87.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=CS1	REAL300000448916	1	25	-3.0	-170.61	287.03	2.57	-168.04
COC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1C(=O)[O-]	REAL300000448917	0	33	-2.0	-95.89	322.79	3.53	-92.36
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448918	0	39	-2.0	-105.91	348.58	5.70	-100.21
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C=C1F	REAL300000448919	0	38	-2.0	-104.38	348.18	5.10	-99.28
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C=C1F	REAL300000448920	0	35	-2.0	-103.70	329.46	5.17	-98.53
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C=C1F	REAL300000448921	0	36	-2.0	-105.16	340.48	3.42	-101.74
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C([O-])C=C1F	REAL300000448921	1	35	-3.0	-184.88	345.81	4.10	-180.78
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=CC(C(=O)[O-])=C1	REAL300000448922	0	31	-3.0	-171.51	323.89	4.02	-167.49
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C(O)C=C2F)=CC(C(=O)[O-])=C1	REAL300000448922	1	32	-2.0	-108.62	327.46	3.26	-105.36
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448923	0	36	-2.0	-106.48	338.57	4.98	-101.50
CC1=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C(C(=O)[O-])O1	REAL300000448924	0	29	-2.0	-99.66	297.94	2.21	-97.45
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)C=C(C(=O)[O-])O1	REAL300000448924	1	28	-3.0	-169.66	293.96	2.76	-166.90
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448925	0	33	-2.0	-93.45	323.03	2.15	-91.30
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448925	1	32	-3.0	-180.27	319.94	2.71	-177.56
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C(Cl)C=C1F	REAL300000448926	0	29	-2.0	-96.23	312.03	3.68	-92.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=C(Cl)C=C1F	REAL300000448926	1	28	-3.0	-166.89	312.97	4.13	-162.76
CC1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=CC=C1OCC(=O)[O-]	REAL300000448927	0	36	-2.0	-89.65	346.72	4.46	-85.19
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C=C1F	REAL300000448928	0	32	-2.0	-96.77	317.07	4.34	-92.43
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1F	REAL300000448929	0	33	-2.0	-93.61	332.81	3.81	-89.80
CCOC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1C(=O)[O-]	REAL300000448930	0	36	-2.0	-114.55	344.61	4.44	-110.11
CC1=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C(C(=O)[O-])S1	REAL300000448931	0	29	-2.0	-102.12	303.97	2.98	-99.14
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C(Cl)=C1	REAL300000448932	0	29	-2.0	-87.24	307.46	3.64	-83.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)C(Cl)=C1	REAL300000448932	1	28	-3.0	-158.93	308.43	4.10	-154.83
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1F	REAL300000448933	0	29	-2.0	-94.82	299.98	3.50	-91.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)S1	REAL300000448934	0	25	-3.0	-162.50	287.64	2.66	-159.84
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)S1	REAL300000448934	1	26	-2.0	-94.30	289.39	2.64	-91.66
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448935	0	29	-2.0	-99.25	301.95	3.53	-95.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=C1F	REAL300000448936	0	31	-3.0	-174.56	321.13	4.23	-170.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1F	REAL300000448936	1	32	-2.0	-87.40	319.37	3.79	-83.61
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C(F)=C1	REAL300000448937	0	29	-2.0	-91.47	299.06	3.16	-88.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)C(F)=C1	REAL300000448937	1	28	-3.0	-160.68	300.84	3.61	-157.07
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1Cl	REAL300000448938	0	29	-2.0	-90.96	307.95	3.86	-87.10
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C=C1F	REAL300000448939	0	32	-2.0	-97.77	325.78	4.73	-93.04
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=CC(F)=C1F	REAL300000448940	0	29	-2.0	-87.25	306.32	3.56	-83.69
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448941	0	31	-2.0	-84.08	323.73	4.14	-79.94
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1	REAL300000448943	0	32	-2.0	-89.59	317.76	4.25	-85.34
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=CC(Cl)=C1F	REAL300000448944	0	29	-2.0	-87.12	316.20	3.98	-83.14
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C=C1F	REAL300000448945	0	32	-2.0	-92.15	306.41	4.15	-88.00
CC1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=CC(C(=O)[O-])=C1F	REAL300000448946	0	32	-2.0	-108.83	320.31	4.11	-104.72
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C=C1F	REAL300000448947	0	32	-2.0	-93.28	311.88	4.31	-88.97
CC1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=CC(C(=O)[O-])=C1C	REAL300000448948	0	35	-2.0	-91.10	328.03	4.50	-86.60
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=CC=C1[N+](=O)[O-]	REAL300000448949	0	31	-2.0	-94.68	321.94	4.55	-90.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=CC=C1[N+](=O)[O-]	REAL300000448949	1	30	-3.0	-173.89	317.51	4.71	-169.18
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448950	0	28	-3.0	-163.87	307.12	3.66	-160.21
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448950	1	29	-2.0	-83.94	305.41	3.22	-80.72
CC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C(C)=C1C(=O)[O-]	REAL300000448951	0	35	-2.0	-94.66	326.87	4.46	-90.20
CC1=CC(F)=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1C(=O)[O-]	REAL300000448952	0	32	-2.0	-88.42	318.97	3.80	-84.62
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)C=C1C(=O)[O-]	REAL300000448952	1	31	-3.0	-174.45	316.86	4.14	-170.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1Cl	REAL300000448953	0	32	-2.0	-97.53	326.17	4.21	-93.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=C1Cl	REAL300000448953	1	31	-3.0	-173.27	327.16	4.68	-168.59
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448954	0	31	-3.0	-184.14	316.00	4.30	-179.84
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448954	1	32	-2.0	-114.08	318.66	3.78	-110.30
CCC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1C(=O)[O-]	REAL300000448955	0	35	-2.0	-90.26	329.88	4.65	-85.61
COC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1CC(=O)[O-]	REAL300000448956	0	36	-2.0	-96.75	345.99	3.60	-93.15
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C=C1F	REAL300000448957	0	32	-2.0	-86.07	319.52	4.26	-81.81
CC1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=CC(C(=O)[O-])=C1Cl	REAL300000448958	0	32	-2.0	-105.71	326.70	4.42	-101.29
CCN1C=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1C(=O)[O-]	REAL300000448959	0	33	-2.0	-105.63	325.16	3.72	-101.91
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1C(=O)[O-]	REAL300000448960	0	32	-2.0	-85.94	325.13	4.39	-81.55
CC1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=CC=C1C(=O)[O-]	REAL300000448961	0	32	-2.0	-90.23	312.11	4.04	-86.19
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C=C1F	REAL300000448962	0	32	-2.0	-105.32	313.44	3.88	-101.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=C1[N+](=O)[O-]	REAL300000448963	0	30	-3.0	-185.65	319.10	5.39	-180.26
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1[N+](=O)[O-]	REAL300000448963	1	31	-2.0	-95.72	317.99	4.90	-90.82
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=C1F	REAL300000448964	0	28	-3.0	-183.31	294.58	3.65	-179.66
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C1F	REAL300000448964	1	29	-2.0	-113.97	297.31	3.12	-110.85
CC1=C(F)C=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C1C(=O)[O-]	REAL300000448965	0	32	-2.0	-85.65	316.46	4.01	-81.64
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=CC2=CC=CC=C21	REAL300000448966	0	35	-2.0	-95.49	335.98	5.56	-89.93
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=C1	REAL300000448967	0	27	-3.0	-175.39	287.93	1.69	-173.70
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(Cl)=C([O-])C=C1F	REAL300000448968	0	33	-2.0	-91.77	322.85	2.81	-88.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C([O-])C=C1F	REAL300000448968	1	32	-3.0	-166.02	323.58	3.33	-162.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)=C(Cl)O1	REAL300000448969	0	25	-3.0	-160.55	295.48	2.50	-158.05
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)=C(Cl)O1	REAL300000448969	1	26	-2.0	-91.46	294.87	2.04	-89.42
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3=CC(Cl)=C([O-])C=C3F)C=C2)CC1	REAL300000448970	0	36	-2.0	-89.43	341.71	5.36	-84.07
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3=CC(Cl)=C([O-])C=C3F)C=C2C1	REAL300000448971	0	36	-2.0	-106.62	339.63	5.34	-101.28
CCC1=C(S(=O)(=O)NC2=CC(Cl)=C([O-])C=C2F)C=C(C(=O)[O-])O1	REAL300000448972	0	32	-2.0	-99.34	318.37	3.00	-96.34
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2F)C=C(C(=O)[O-])O1	REAL300000448972	1	31	-3.0	-170.10	313.08	3.61	-166.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCCO)C=C1	REAL300000448976	0	43	-2.0	-112.67	378.12	2.48	-110.19
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C1	REAL300000448980	0	39	-2.0	-106.06	355.45	2.75	-103.31
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C1	REAL300000448982	0	36	-2.0	-102.76	343.16	1.71	-101.05
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)C=C1C(=O)[O-]	REAL300000448985	1	40	-2.0	-105.64	356.63	2.05	-103.59
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C1	REAL300000448987	0	39	-2.0	-99.00	359.11	2.38	-96.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=CS1	REAL300000448989	1	36	-2.0	-104.31	341.63	1.72	-102.59
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCCO)C=C1	REAL300000448993	0	46	-2.0	-113.03	400.41	3.25	-109.78
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(OCCCO)C=C2)=C1	REAL300000448994	0	42	-2.0	-111.79	381.08	3.20	-108.59
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)C=C(C(=O)[O-])O1	REAL300000448996	0	39	-2.0	-101.30	353.01	1.82	-99.48
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C1	REAL300000448997	0	43	-2.0	-109.49	378.94	1.78	-107.71
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCCO)C=C1	REAL300000448999	1	42	-2.0	-98.78	370.68	3.50	-95.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)C=C(C(=O)[O-])S1	REAL300000449002	1	39	-2.0	-104.64	358.60	2.56	-102.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)C(Cl)=C1	REAL300000449003	1	39	-2.0	-93.71	363.03	3.25	-90.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)S1	REAL300000449005	0	36	-2.0	-96.49	342.23	1.81	-94.68
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C1	REAL300000449006	1	39	-2.0	-99.40	356.38	2.76	-96.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C1F	REAL300000449007	0	42	-2.0	-107.46	375.73	3.40	-104.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)C(F)=C1	REAL300000449008	0	39	-2.0	-95.34	355.44	2.76	-92.58
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C1	REAL300000449011	1	41	-2.0	-93.56	378.17	3.36	-90.20
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C1	REAL300000449012	0	40	-2.0	-107.12	359.69	0.39	-106.73
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OCCCO)C=C2)=C1	REAL300000449012	1	40	-2.0	-107.69	358.88	1.20	-106.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=CC=C1[N+](=O)[O-]	REAL300000449018	1	41	-2.0	-105.53	376.55	3.76	-101.77
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C1	REAL300000449019	0	39	-2.0	-97.58	361.73	2.82	-94.76
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)C=C1C(=O)[O-]	REAL300000449021	0	42	-2.0	-107.15	371.45	3.29	-103.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C1Cl	REAL300000449022	0	42	-2.0	-106.28	381.74	3.83	-102.45
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C1	REAL300000449023	0	42	-2.0	-112.93	374.99	3.38	-109.55
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)C=C1C(=O)[O-]	REAL300000449028	1	43	-2.0	-106.87	378.00	2.91	-103.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C1[N+](=O)[O-]	REAL300000449032	0	41	-2.0	-114.28	373.72	4.54	-109.74
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C1F	REAL300000449033	0	39	-2.0	-111.23	353.63	2.72	-108.51
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C1	REAL300000449035	0	38	-2.0	-106.14	346.19	0.80	-105.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCCCO)C=C1	REAL300000449036	0	43	-2.0	-99.07	378.18	2.48	-96.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)=C(Cl)O1	REAL300000449037	0	36	-2.0	-95.13	350.12	1.66	-93.47
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCCCO)C=C2)C=C(C(=O)[O-])O1	REAL300000449040	0	42	-2.0	-101.20	372.10	2.68	-98.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CCC3=O)=C2)=C1	REAL300000449042	1	38	-2.0	-116.20	358.96	5.76	-110.44
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CCC3=O)=C2)=C1	REAL300000449043	0	35	-2.0	-110.41	352.14	4.78	-105.63
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CCC3=O)=C2)C=C1C(=O)[O-]	REAL300000449044	1	39	-2.0	-114.56	365.60	5.10	-109.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CCC3=O)=C2)=CS1	REAL300000449045	0	35	-2.0	-111.99	350.61	4.79	-107.20
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CCC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000449046	0	38	-2.0	-109.75	361.96	4.89	-104.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CCC3=O)=C2)S1	REAL300000449047	0	35	-2.0	-105.39	351.23	4.89	-100.50
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(N3C(=O)CCC3=O)=C2)=C1	REAL300000449048	0	37	-2.0	-112.94	355.94	3.82	-109.12
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300000449049	0	35	-2.0	-92.93	345.71	4.25	-88.68
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1O	REAL300000449050	0	35	-2.0	-105.52	345.73	4.23	-101.29
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000449051	0	38	-2.0	-104.81	361.74	4.78	-100.03
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1O	REAL300000449052	0	32	-2.0	-99.90	338.91	3.26	-96.64
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1O	REAL300000449053	0	38	-2.0	-106.26	361.16	5.04	-101.22
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1O	REAL300000449054	0	36	-2.0	-103.89	352.38	3.59	-100.30
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1O	REAL300000449055	0	32	-2.0	-101.35	337.38	3.29	-98.06
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1O	REAL300000449056	0	35	-2.0	-99.54	348.73	3.39	-96.15
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1O	REAL300000449057	0	32	-2.0	-94.16	337.98	3.37	-90.79
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1O	REAL300000449058	0	38	-2.0	-95.71	367.90	5.02	-90.69
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1O	REAL300000449059	0	38	-2.0	-100.60	355.76	4.89	-95.71
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1O	REAL300000449060	0	38	-2.0	-93.36	361.14	5.02	-88.34
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1O	REAL300000449061	0	38	-2.0	-94.65	365.79	4.89	-89.76
COC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1O	REAL300000449062	0	34	-2.0	-101.79	341.94	2.37	-99.42
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1F	REAL300000449063	1	41	-2.0	-84.24	370.61	5.06	-79.18
CCC1=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=CC=C1F	REAL300000449065	0	42	-2.0	-101.47	373.75	7.57	-93.90
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000449067	1	34	-2.0	-102.38	314.14	6.47	-95.91
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1F	REAL300000449068	0	38	-2.0	-107.97	342.28	6.27	-101.70
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1F	REAL300000449071	0	34	-2.0	-98.26	327.21	7.04	-91.22
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000449072	1	34	-2.0	-98.33	326.65	6.86	-91.47
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=CC=C1F	REAL300000449073	0	34	-2.0	-93.94	339.71	7.43	-86.51
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000449075	0	34	-2.0	-99.68	319.61	6.53	-93.15
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000449076	1	40	-2.0	-89.35	357.72	8.05	-81.30
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000449077	0	31	-2.0	-96.67	307.32	5.49	-91.18
CCC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000449080	1	35	-2.0	-100.82	320.78	5.82	-95.00
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1F	REAL300000449082	0	34	-2.0	-92.97	323.25	6.15	-86.82
CCC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000449084	1	31	-2.0	-98.18	305.79	5.50	-92.68
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1F	REAL300000449088	1	43	-2.0	-105.79	368.04	8.47	-97.32
CCC1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=CC=C1F	REAL300000449090	0	41	-2.0	-108.26	364.57	7.04	-101.22
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000449091	0	37	-2.0	-107.25	349.26	6.89	-100.36
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000449091	1	36	-3.0	-176.29	342.54	7.04	-169.25
CCC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000449093	0	34	-2.0	-96.66	317.14	5.61	-91.05
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000449095	0	38	-2.0	-103.40	343.12	5.56	-97.84
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000449097	1	34	-2.0	-92.09	341.81	7.32	-84.77
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1F	REAL300000449098	0	34	-2.0	-95.17	331.73	7.06	-88.11
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=CC=C1F	REAL300000449101	1	44	-2.0	-88.30	393.88	7.72	-80.58
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1F	REAL300000449102	1	37	-2.0	-94.21	334.85	7.28	-86.93
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1F	REAL300000449104	1	38	-2.0	-88.39	351.43	6.82	-81.57
CCC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000449106	1	34	-2.0	-100.11	322.74	6.36	-93.75
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=CC=C1F	REAL300000449107	0	34	-2.0	-92.10	342.36	7.49	-84.61
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1F	REAL300000449108	1	34	-2.0	-87.93	327.19	7.03	-80.90
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000449109	1	34	-2.0	-89.82	318.66	6.51	-83.31
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000449110	0	31	-2.0	-91.82	306.41	5.60	-86.22
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000449111	1	34	-2.0	-93.35	320.54	6.54	-86.81
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1F	REAL300000449112	0	37	-2.0	-101.02	339.91	7.18	-93.84
CCC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=CC=C1F	REAL300000449113	0	38	-2.0	-92.53	354.45	7.10	-85.43
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000449114	0	34	-2.0	-89.55	319.60	6.54	-83.01
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1F	REAL300000449116	1	37	-2.0	-95.94	343.58	7.66	-88.28
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1F	REAL300000449117	1	42	-2.0	-87.04	377.88	7.88	-79.16
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000449118	1	34	-2.0	-91.67	324.96	6.56	-85.11
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000449119	1	36	-2.0	-87.58	342.33	7.13	-80.45
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000449120	0	35	-2.0	-102.63	323.85	4.19	-98.44
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000449120	1	35	-2.0	-100.84	312.85	5.07	-95.77
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000449121	1	37	-2.0	-93.92	336.33	7.25	-86.67
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000449122	1	34	-2.0	-93.03	334.85	7.00	-86.03
CCC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300000449127	1	36	-2.0	-101.00	340.69	7.56	-93.44
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1F	REAL300000449128	0	34	-2.0	-91.39	325.89	6.60	-84.79
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1F	REAL300000449130	0	37	-2.0	-101.93	339.46	7.16	-94.77
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1F	REAL300000449131	0	37	-2.0	-99.95	345.89	7.60	-92.35
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000449132	0	37	-2.0	-106.84	339.17	7.16	-99.68
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000449135	1	37	-2.0	-91.87	340.40	7.65	-84.22
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000449137	1	37	-2.0	-100.00	345.37	7.43	-92.57
CCC1=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=CC=C1F	REAL300000449138	1	38	-2.0	-102.10	342.16	6.68	-95.42
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CC=C1F	REAL300000449140	0	34	-2.0	-90.24	339.74	7.03	-83.21
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000449141	1	37	-2.0	-96.90	347.87	7.54	-89.36
CCC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000449142	1	43	-2.0	-99.98	363.61	8.60	-91.38
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=CC=C1F	REAL300000449143	1	38	-2.0	-103.86	354.46	7.10	-96.76
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1F	REAL300000449145	0	39	-2.0	-95.11	357.40	8.67	-86.44
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1F	REAL300000449147	0	36	-2.0	-109.32	337.86	8.32	-101.00
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000449148	0	34	-2.0	-106.13	317.80	6.51	-99.62
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000449149	1	37	-2.0	-95.07	339.07	7.15	-87.92
CCC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1F	REAL300000449150	1	40	-2.0	-110.45	355.18	8.59	-101.86
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COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2=CC=CC=C2)N(C)N=C1	REAL300000449295	0	42	-2.0	-103.80	375.21	5.88	-97.92
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COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCCC(=O)[O-])C=C2)=C1	REAL300000449301	1	41	-2.0	-105.26	372.52	6.05	-99.21
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CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(OCCC(=O)[O-])C=C1	REAL300000449322	0	37	-2.0	-88.17	330.82	4.36	-83.81
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COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OCCC(=O)[O-])C=C1	REAL300000449338	0	41	-2.0	-113.66	362.97	6.79	-106.87
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCC(=O)[O-])C=C2)C=C1	REAL300000449339	1	44	-2.0	-96.92	394.36	7.00	-89.92
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CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)C=C1C(=O)[O-]	REAL300000450126	1	36	-2.0	-101.28	345.45	6.31	-94.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)=CS1	REAL300000450127	0	27	-2.0	-94.67	306.03	4.01	-90.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)C=C1C(=O)[O-]	REAL300000450128	1	34	-2.0	-104.75	341.66	5.04	-99.71
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=C(Cl)SC2=C1	REAL300000450129	1	36	-2.0	-98.54	344.52	6.69	-91.85
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)C=C(C(=O)[O-])O1	REAL300000450130	0	30	-2.0	-93.42	317.39	4.11	-89.31
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)=C1	REAL300000450131	0	34	-2.0	-100.03	343.36	4.06	-95.97
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)C=C(C(=O)[O-])S1	REAL300000450132	0	30	-2.0	-96.41	324.07	4.86	-91.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)C=C1F	REAL300000450133	1	30	-2.0	-87.08	318.89	5.01	-82.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)S1	REAL300000450134	0	27	-2.0	-88.57	306.65	4.10	-84.47
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)=C1	REAL300000450135	1	30	-2.0	-90.14	320.78	5.04	-85.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)C(F)=C1	REAL300000450136	0	30	-2.0	-86.50	319.84	5.04	-81.46
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)=C1	REAL300000450137	0	31	-2.0	-98.81	324.09	2.69	-96.12
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3N=C(Cl)SC3=C2)=C1	REAL300000450137	1	31	-2.0	-99.58	313.09	3.55	-96.03
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)C=C1	REAL300000450138	1	33	-2.0	-90.29	336.54	5.76	-84.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2N=C(Cl)SC2=C1	REAL300000450139	1	33	-2.0	-95.34	324.45	5.61	-89.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2N=C(Cl)SC2=C1	REAL300000450140	1	33	-2.0	-87.66	329.79	5.75	-81.91
CC1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)=CC(C(=O)[O-])=C1C	REAL300000450141	1	36	-2.0	-103.03	351.18	6.14	-96.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)C(C)=C1C(=O)[O-]	REAL300000450142	1	36	-2.0	-99.63	347.76	6.38	-93.25
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)C=C1C(=O)[O-]	REAL300000450143	1	36	-2.0	-100.50	348.31	6.16	-94.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)C=C1C(=O)[O-]	REAL300000450144	0	34	-2.0	-98.57	342.40	5.18	-93.39
CC1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)=CC=C1C(=O)[O-]	REAL300000450145	1	33	-2.0	-87.32	330.38	5.52	-81.80
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)=C1F	REAL300000450146	0	30	-2.0	-102.92	318.04	5.01	-97.91
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)=C1	REAL300000450147	0	29	-2.0	-95.64	311.37	3.03	-92.61
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2N=C(Cl)SC2=C1	REAL300000450148	0	34	-2.0	-91.07	342.58	4.77	-86.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)=C(Cl)O1	REAL300000450149	0	27	-2.0	-87.25	314.52	3.95	-83.30
CCC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(Cl)SC3=C2)C=C(C(=O)[O-])O1	REAL300000450150	0	33	-2.0	-93.28	336.50	4.96	-88.32
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000450151	1	38	-2.0	-106.61	345.65	6.60	-100.01
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2C=C1	REAL300000450152	1	38	-2.0	-96.63	341.09	6.58	-90.05
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2C=C1	REAL300000450153	1	38	-2.0	-109.30	341.11	6.57	-102.73
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)C=C2C=C1	REAL300000450154	0	42	-2.0	-114.72	369.26	6.37	-108.35
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2C=C1	REAL300000450155	1	42	-2.0	-96.08	372.57	7.87	-88.21
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000450156	1	41	-2.0	-110.41	357.14	7.11	-103.30
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2C=C1	REAL300000450157	0	38	-2.0	-104.74	354.19	7.14	-97.60
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000450158	1	38	-2.0	-105.03	353.62	6.96	-98.07
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2C=C1	REAL300000450159	1	44	-2.0	-112.03	373.51	7.89	-104.14
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2C=C1	REAL300000450160	0	38	-2.0	-106.53	346.59	6.64	-99.89
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2C=C1	REAL300000450161	1	44	-2.0	-95.34	384.68	8.16	-87.18
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2C=C1	REAL300000450162	0	35	-2.0	-103.51	334.30	5.60	-97.91
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2C=C1	REAL300000450163	1	41	-2.0	-110.09	356.55	7.36	-102.73
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000450165	0	39	-2.0	-107.57	347.76	5.93	-101.64
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2C=C1	REAL300000450167	0	38	-2.0	-99.63	350.23	6.26	-93.37
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2C=C1	REAL300000450169	0	35	-2.0	-104.90	332.76	5.62	-99.28
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)C=C2C=C1	REAL300000450171	1	47	-2.0	-112.29	395.01	8.58	-103.71
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=C(OC)C=C2C=C1	REAL300000450172	1	44	-2.0	-108.30	371.24	8.31	-99.99
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2C=C1	REAL300000450173	1	45	-2.0	-114.30	385.36	8.48	-105.82
COC1=CC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2C=C1	REAL300000450174	0	38	-2.0	-103.00	344.12	5.72	-97.28
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2C=C1	REAL300000450175	0	42	-2.0	-110.34	370.10	5.66	-104.68
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2C=C1	REAL300000450176	1	41	-2.0	-100.51	361.83	7.40	-93.11
COC1=CC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2C=C1	REAL300000450177	1	38	-2.0	-106.44	349.71	6.47	-99.97
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2C=C1	REAL300000450178	0	38	-2.0	-94.11	354.16	7.13	-86.98
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2C=C1	REAL300000450179	1	38	-2.0	-96.07	345.63	6.61	-89.46
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2C=C1	REAL300000450180	0	35	-2.0	-98.39	333.39	5.70	-92.69
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2C=C1	REAL300000450181	1	38	-2.0	-99.99	347.52	6.64	-93.35
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2C=C1	REAL300000450182	0	41	-2.0	-107.98	366.87	7.28	-100.70
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2C=C1	REAL300000450183	0	38	-2.0	-96.09	346.58	6.64	-89.45
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2C=C1	REAL300000450184	1	38	-2.0	-94.07	353.60	6.97	-87.10
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000450185	1	38	-2.0	-98.10	351.95	6.66	-91.44
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2C=C1	REAL300000450186	0	39	-2.0	-109.01	350.83	4.29	-104.72
COC1=CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2C=C1	REAL300000450186	1	39	-2.0	-108.10	350.07	5.07	-103.03
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2C=C1	REAL300000450187	1	41	-2.0	-100.14	363.28	7.36	-92.78
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2C=C1	REAL300000450188	1	41	-2.0	-105.63	350.66	7.26	-98.37
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000450189	1	41	-2.0	-108.01	365.95	7.22	-100.79
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000450191	1	44	-2.0	-113.79	377.91	7.74	-106.05
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2C=C1	REAL300000450192	0	38	-2.0	-98.08	352.87	6.70	-91.38
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2C=C1	REAL300000450194	0	41	-2.0	-108.85	366.43	7.27	-101.58
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2C=C1	REAL300000450195	0	41	-2.0	-114.25	366.15	7.26	-106.99
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=C(OC)C=C3C=C2)C=C1C(=O)[O-]	REAL300000450196	1	44	-2.0	-111.14	375.34	7.76	-103.38
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=C(OC)C=C3C=C2)C=C1C(=O)[O-]	REAL300000450197	0	42	-2.0	-108.87	369.13	6.79	-102.08
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2C=C1	REAL300000450198	1	41	-2.0	-96.78	357.12	7.12	-89.66
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2C=C1	REAL300000450200	0	38	-2.0	-113.53	344.73	6.60	-106.93
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000450201	1	41	-2.0	-101.83	366.06	7.25	-94.58
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2C=C1	REAL300000450202	0	37	-2.0	-106.94	337.33	4.71	-102.23
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3OC)C=C2C=C1	REAL300000450203	0	42	-2.0	-100.86	369.32	6.38	-94.48
COC1=CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2C=C1	REAL300000450204	0	35	-2.0	-96.79	341.26	5.55	-91.24
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2C=C1	REAL300000450205	1	45	-2.0	-103.09	387.24	8.46	-94.63
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2C=C1	REAL300000450206	1	45	-2.0	-106.75	386.55	8.46	-98.29
CCC1=C(S(=O)(=O)[N-]C2=CC3=CC=C(OC)C=C3C=C2)C=C(C(=O)[O-])O1	REAL300000450207	0	41	-2.0	-102.80	363.25	6.57	-96.23
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1F	REAL300000450208	1	40	-2.0	-83.24	369.47	4.16	-79.08
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000450209	1	33	-2.0	-98.13	317.53	5.60	-92.53
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)=O)=C1	REAL300000450210	0	41	-2.0	-99.96	372.62	6.67	-93.29
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000450212	1	33	-2.0	-100.09	310.72	5.48	-94.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)=O)=C1	REAL300000450213	0	37	-2.0	-105.78	341.14	5.37	-100.41
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1F	REAL300000450214	1	37	-2.0	-89.02	342.95	6.80	-82.22
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1F	REAL300000450216	0	33	-2.0	-96.58	324.58	6.07	-90.51
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000450217	1	33	-2.0	-96.23	323.99	5.90	-90.33
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1F	REAL300000450218	1	39	-2.0	-103.83	343.90	6.81	-97.02
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000450219	0	33	-2.0	-97.63	316.20	5.54	-92.09
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000450220	1	39	-2.0	-87.87	354.30	7.07	-80.80
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000450221	0	30	-2.0	-94.77	304.67	4.51	-90.26
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1F	REAL300000450222	1	36	-2.0	-102.03	326.92	6.28	-95.75
CC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000450224	1	34	-2.0	-98.62	319.65	4.92	-93.70
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1F	REAL300000450226	0	33	-2.0	-91.13	319.84	5.16	-85.97
CC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000450228	0	30	-2.0	-96.08	304.65	4.61	-91.47
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)=O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000450229	1	41	-2.0	-100.55	369.79	5.31	-95.24
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1F	REAL300000450231	1	43	-2.0	-105.42	366.76	8.11	-97.31
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1F	REAL300000450232	1	42	-2.0	-104.01	365.40	7.50	-96.51
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)=O)=C1	REAL300000450233	1	39	-2.0	-100.86	340.86	7.19	-93.67
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)=O)=C1	REAL300000450234	0	40	-2.0	-105.25	363.43	6.13	-99.12
CC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000450235	0	36	-2.0	-111.32	343.88	6.14	-105.18
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000450235	1	35	-3.0	-172.19	339.91	6.06	-166.13
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1F	REAL300000450236	1	40	-2.0	-105.64	357.27	7.48	-98.16
CC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000450237	0	33	-2.0	-95.42	314.50	4.64	-90.78
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1F	REAL300000450238	1	39	-2.0	-104.72	352.88	5.25	-99.47
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000450239	0	37	-2.0	-100.96	340.49	4.58	-96.38
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1F	REAL300000450241	0	33	-2.0	-93.85	329.10	6.09	-87.76
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1F	REAL300000450243	1	36	-2.0	-92.97	333.72	6.40	-86.57
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1F	REAL300000450244	1	37	-2.0	-87.43	348.01	5.82	-81.61
CC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000450246	1	33	-2.0	-98.74	321.60	5.46	-93.28
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1F	REAL300000450247	0	33	-2.0	-86.47	324.56	6.06	-80.41
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000450248	1	33	-2.0	-88.56	316.01	5.54	-83.02
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000450249	0	30	-2.0	-90.09	302.99	4.61	-85.48
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000450250	1	33	-2.0	-91.39	317.91	5.56	-85.83
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1F	REAL300000450251	0	36	-2.0	-98.85	336.48	6.18	-92.67
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000450252	0	33	-2.0	-87.61	318.46	5.64	-81.97
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300000450253	1	33	-2.0	-86.39	325.50	5.98	-80.41
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1F	REAL300000450254	1	36	-2.0	-94.55	342.46	6.78	-87.77
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1F	REAL300000450255	1	41	-2.0	-86.10	376.74	6.98	-79.12
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000450256	1	33	-2.0	-90.10	322.32	5.59	-84.51
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000450257	1	35	-2.0	-85.91	341.19	6.24	-79.67
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000450258	0	34	-2.0	-101.31	321.22	3.20	-98.11
CC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000450258	1	34	-2.0	-101.31	310.24	4.09	-97.22
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000450259	1	36	-2.0	-91.75	335.18	6.36	-85.39
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000450260	1	33	-2.0	-91.36	333.71	6.10	-85.26
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000450261	1	36	-2.0	-95.89	320.79	6.12	-89.77
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000450262	1	36	-2.0	-99.33	336.34	6.15	-93.18
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300000450265	0	35	-2.0	-99.55	338.04	6.59	-92.96
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1F	REAL300000450266	0	33	-2.0	-89.48	323.26	5.62	-83.86
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1F	REAL300000450268	0	36	-2.0	-99.70	338.32	6.27	-93.43
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1F	REAL300000450269	0	36	-2.0	-98.12	344.76	6.71	-91.41
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000450270	0	36	-2.0	-103.73	335.73	6.17	-97.56
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000450273	1	36	-2.0	-90.57	342.04	6.75	-83.82
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000450274	1	36	-2.0	-97.75	344.22	6.53	-91.22
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)=O)=C2)C=C1C(=O)[O-]	REAL300000450275	1	37	-2.0	-99.81	341.03	5.78	-94.03
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000450277	1	36	-2.0	-94.54	345.22	6.57	-87.97
CC(=O)C1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000450278	0	42	-2.0	-98.76	360.18	7.60	-91.16
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1F	REAL300000450280	0	38	-2.0	-92.37	356.27	7.77	-84.60
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1F	REAL300000450282	0	35	-2.0	-106.19	335.22	7.34	-98.85
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000450283	0	33	-2.0	-103.02	315.16	5.53	-97.49
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000450284	1	36	-2.0	-92.87	337.94	6.25	-86.62
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1F	REAL300000450285	1	39	-2.0	-107.80	351.76	7.60	-100.20
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000450286	0	32	-2.0	-97.99	309.99	3.63	-94.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)=O)=C1	REAL300000450287	0	37	-2.0	-92.66	338.93	5.27	-87.39
CC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000450288	0	30	-2.0	-89.19	311.64	4.47	-84.72
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1F	REAL300000450289	1	40	-2.0	-95.40	357.63	7.38	-88.02
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1F	REAL300000450290	1	40	-2.0	-96.89	358.44	7.46	-89.43
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000450291	0	36	-2.0	-95.48	332.85	5.47	-90.01
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(Cl)C=C1F	REAL300000450304	1	28	-2.0	-94.70	301.54	5.29	-89.41
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(Cl)C=C(F)C(C)=C2)=C1	REAL300000450309	1	31	-2.0	-90.89	317.50	5.95	-84.94
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C(Cl)C=C1F	REAL300000450317	0	34	-2.0	-104.26	336.16	6.76	-97.50
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(Cl)C=C1F	REAL300000450330	1	28	-2.0	-89.82	300.62	5.40	-84.42
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C(Cl)C=C1F	REAL300000450339	0	32	-2.0	-99.73	315.62	4.82	-94.91
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C(Cl)C=C1F	REAL300000450347	1	31	-2.0	-88.89	320.09	6.40	-82.49
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C(Cl)C=C1F	REAL300000450361	1	33	-2.0	-106.99	332.11	8.13	-98.86
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(Cl)C=C1F	REAL300000450365	1	30	-2.0	-96.65	305.34	4.33	-92.32
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C(Cl)C=C1F	REAL300000450367	1	28	-2.0	-88.55	308.47	5.24	-83.31
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000450379	1	37	-2.0	-111.39	346.27	2.69	-108.70
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000450381	1	37	-2.0	-112.29	341.73	2.66	-109.63
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1F	REAL300000450382	0	41	-2.0	-116.93	369.87	2.45	-114.48
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1F	REAL300000450383	1	41	-2.0	-99.94	373.18	3.95	-95.99
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1F	REAL300000450385	1	43	-2.0	-114.23	374.41	4.00	-110.23
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000450386	0	37	-2.0	-109.17	347.21	2.71	-106.46
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000450387	1	43	-2.0	-99.60	385.30	4.25	-95.35
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000450388	0	34	-2.0	-106.76	334.92	1.66	-105.10
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1F	REAL300000450389	1	40	-2.0	-112.15	357.16	3.44	-108.71
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000450391	1	38	-2.0	-110.94	348.36	2.00	-108.94
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1F	REAL300000450393	0	37	-2.0	-103.85	350.85	2.33	-101.52
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000450395	0	34	-2.0	-109.43	333.38	1.69	-107.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(NC(=O)NC)=C1	REAL300000450397	1	43	-2.0	-110.20	371.87	4.37	-105.83
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000450398	0	37	-2.0	-105.69	344.74	1.79	-103.90
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000450399	0	41	-2.0	-115.08	370.72	1.74	-113.34
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1F	REAL300000450400	1	40	-2.0	-103.16	362.44	3.47	-99.69
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000450401	1	37	-2.0	-108.80	350.33	2.54	-106.26
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000450402	1	37	-2.0	-100.06	346.25	2.70	-97.36
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000450403	0	34	-2.0	-102.51	334.00	1.79	-100.72
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000450404	1	37	-2.0	-103.40	348.13	2.72	-100.68
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1F	REAL300000450405	0	40	-2.0	-110.63	367.50	3.36	-107.27
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000450406	0	37	-2.0	-100.39	347.19	2.72	-97.67
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000450407	0	38	-2.0	-110.72	351.45	0.36	-110.36
CNC(=O)NC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000450407	1	38	-2.0	-111.62	340.47	1.25	-110.37
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000450408	1	40	-2.0	-105.74	363.90	3.44	-102.30
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000450409	1	40	-2.0	-110.89	351.26	3.30	-107.59
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000450410	1	40	-2.0	-111.16	366.57	3.31	-107.85
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1F	REAL300000450414	0	40	-2.0	-111.56	367.73	3.37	-108.19
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000450415	0	40	-2.0	-119.95	366.76	3.35	-116.60
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(=O)NC)=C2)C=C1C(=O)[O-]	REAL300000450417	1	41	-2.0	-112.18	369.76	2.86	-109.32
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000450420	0	37	-2.0	-119.18	345.39	2.69	-116.49
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000450421	1	40	-2.0	-106.34	366.14	3.32	-103.02
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000450422	0	36	-2.0	-109.01	338.72	0.71	-108.30
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1F	REAL300000450423	0	41	-2.0	-104.71	369.93	2.45	-102.26
CNC(=O)NC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000450424	0	34	-2.0	-100.22	341.88	1.63	-98.59
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(=O)NC)=C2)C=C(C(=O)[O-])O1	REAL300000450425	0	40	-2.0	-105.25	363.86	2.63	-102.62
CC1=CC2=C(C=C1C)N(S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)CC2	REAL300000450453	0	41	-2.0	-112.63	359.83	8.74	-103.89
CC1=CC2=C(C=C1C)N(S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])CC2	REAL300000450478	0	39	-2.0	-112.93	333.02	6.84	-106.09
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C(Cl)C=C1C(N)=O	REAL300000450514	0	36	-2.0	-97.82	345.79	2.99	-94.83
COC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C(Cl)C=C1C(N)=O	REAL300000450515	0	36	-2.0	-110.60	345.71	2.98	-107.62
COC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C(Cl)C=C1C(N)=O	REAL300000450516	0	39	-2.0	-110.54	361.74	3.52	-107.02
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C(Cl)C=C1C(N)=O	REAL300000450517	0	33	-2.0	-104.91	338.99	2.00	-102.91
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C(Cl)C=C1C(N)=O	REAL300000450518	0	39	-2.0	-110.85	361.23	3.77	-107.08
COC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C(Cl)C=C1C(N)=O	REAL300000450519	0	37	-2.0	-108.91	352.36	2.33	-106.58
COC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C(Cl)C=C1C(N)=O	REAL300000450520	0	33	-2.0	-106.33	337.36	2.02	-104.31
COC1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C(Cl)C=C1C(N)=O	REAL300000450521	0	36	-2.0	-104.23	348.81	2.12	-102.11
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C(Cl)C=C1C(N)=O	REAL300000450522	0	33	-2.0	-99.35	338.06	2.11	-97.24
COC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C(Cl)C=C1C(N)=O	REAL300000450523	0	39	-2.0	-100.66	367.97	3.76	-96.90
COC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C(Cl)C=C1C(N)=O	REAL300000450524	0	39	-2.0	-106.01	355.84	3.63	-102.38
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C(Cl)C=C1C(N)=O	REAL300000450525	0	39	-2.0	-97.99	361.21	3.76	-94.23
COC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C(Cl)C=C1C(N)=O	REAL300000450526	0	39	-2.0	-99.58	365.78	3.63	-95.95
COC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C(Cl)C=C1C(N)=O	REAL300000450527	0	35	-2.0	-107.41	341.92	1.10	-106.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C)=N2)C=C1	REAL300000450531	0	42	-2.0	-111.55	374.11	6.59	-104.96
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2)C=C1	REAL300000450534	1	38	-2.0	-101.99	359.03	7.37	-94.62
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)C=C1	REAL300000450537	0	38	-2.0	-103.48	351.44	6.86	-96.62
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)C=C1	REAL300000450539	0	35	-2.0	-100.91	339.15	5.81	-95.10
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)C=C1	REAL300000450542	1	39	-2.0	-104.98	352.62	6.14	-98.84
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2)C=C1	REAL300000450544	0	38	-2.0	-97.14	355.09	6.47	-90.67
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)C=C1	REAL300000450546	1	35	-2.0	-102.36	337.62	5.84	-96.52
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)C=C1	REAL300000450551	0	38	-2.0	-100.55	349.00	5.93	-94.62
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2)C=C1	REAL300000450552	0	42	-2.0	-107.82	374.94	5.88	-101.94
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2)C=C1	REAL300000450554	1	38	-2.0	-103.82	354.58	6.69	-97.13
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2)C=C1	REAL300000450555	1	38	-2.0	-92.11	359.01	7.36	-84.75
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)C=C1	REAL300000450557	0	35	-2.0	-96.02	338.22	5.91	-90.11
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)C=C1	REAL300000450558	1	38	-2.0	-97.53	352.38	6.86	-90.67
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2)C=C1	REAL300000450559	0	41	-2.0	-104.79	371.73	7.50	-97.29
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)C=C1	REAL300000450560	0	38	-2.0	-93.78	351.43	6.87	-86.91
CC1=NN(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)C=C1	REAL300000450563	0	39	-2.0	-106.97	354.87	5.30	-101.67
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)C=C1	REAL300000450563	1	39	-2.0	-106.07	355.68	4.51	-101.56
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2)C=C1	REAL300000450569	0	38	-2.0	-95.26	357.71	6.92	-88.34
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2)C=C1	REAL300000450571	0	41	-2.0	-104.49	367.44	7.39	-97.10
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2)C=C1	REAL300000450572	0	41	-2.0	-111.55	371.00	7.49	-104.06
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C)=N3)C=C2)C=C1C(=O)[O-]	REAL300000450574	1	42	-2.0	-106.22	373.98	7.02	-99.20
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)C=C1	REAL300000450577	0	38	-2.0	-110.86	349.62	6.82	-104.04
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)C=C1	REAL300000450579	0	37	-2.0	-104.11	342.17	4.91	-99.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C)=N2)C=C1	REAL300000450580	1	42	-2.0	-98.43	374.17	6.59	-91.84
CC1=NN(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)C=C1	REAL300000450581	0	35	-2.0	-94.53	346.11	5.78	-88.75
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C)=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000450584	0	41	-2.0	-100.34	368.09	6.79	-93.55
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000450585	1	40	-2.0	-133.92	357.31	7.10	-126.82
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000450586	1	37	-2.0	-132.42	341.87	6.33	-126.09
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CC(C(=O)[O-])=C1	REAL300000450589	0	31	-2.0	-137.50	295.59	5.94	-131.56
CC1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450590	0	34	-2.0	-112.29	323.03	5.38	-106.91
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CC(C(=O)[O-])=C1	REAL300000450591	0	30	-2.0	-117.37	298.95	4.30	-113.07
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=CC(C(=O)[O-])=C1	REAL300000450592	1	32	-2.0	-125.03	307.92	6.05	-118.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=CC(C(=O)[O-])=C1	REAL300000450593	1	32	-2.0	-120.41	307.91	6.06	-114.35
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=CC(C(=O)[O-])=C1	REAL300000450594	0	31	-2.0	-124.50	309.32	6.25	-118.25
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000450595	0	34	-2.0	-122.70	329.70	7.57	-115.13
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=CC(C(=O)[O-])=C1	REAL300000450596	0	32	-2.0	-136.07	305.20	5.96	-130.11
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C)=C2)=CC(C(=O)[O-])=C1	REAL300000450597	1	34	-2.0	-122.92	326.58	6.85	-116.07
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=CC(C(=O)[O-])=C1	REAL300000450599	0	31	-2.0	-128.94	303.58	6.37	-122.57
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000450602	0	41	-2.0	-103.73	378.47	4.69	-99.04
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000450602	1	40	-3.0	-175.02	372.02	4.82	-170.20
CC1=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450603	0	34	-2.0	-137.26	322.56	6.26	-131.00
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450603	1	33	-3.0	-193.33	320.08	6.26	-187.07
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000450605	0	35	-2.0	-121.94	336.40	7.75	-114.19
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=CC(C(=O)[O-])=C1	REAL300000450606	1	40	-2.0	-126.76	349.91	5.61	-121.15
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450607	1	36	-2.0	-126.19	331.29	6.85	-119.34
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450608	0	41	-3.0	-198.03	375.17	7.33	-190.70
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450608	1	42	-2.0	-128.23	377.99	7.27	-120.96
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1	REAL300000450609	0	34	-2.0	-121.77	303.32	3.49	-118.28
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=CC(C(=O)[O-])=C1	REAL300000450610	0	28	-2.0	-120.60	300.70	5.40	-115.20
CC1=CC([N-]S(=O)(=O)C2=C(C)C(Cl)=CC(C)=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450611	0	37	-2.0	-124.78	346.77	8.17	-116.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300000450614	1	34	-2.0	-119.86	325.84	6.67	-113.19
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000450616	0	34	-2.0	-112.76	321.98	6.12	-106.64
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000450617	0	39	-2.0	-138.98	344.83	4.75	-134.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1OC	REAL300000450618	1	39	-2.0	-126.73	345.81	4.87	-121.86
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1	REAL300000450620	0	33	-2.0	-116.14	302.01	4.59	-111.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000450621	1	31	-2.0	-118.66	319.00	6.64	-112.02
CC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450622	0	34	-2.0	-103.46	318.01	6.24	-97.22
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450622	1	33	-3.0	-197.69	315.55	6.23	-191.46
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000450623	1	31	-2.0	-117.42	299.78	5.78	-111.64
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450624	0	31	-2.0	-124.85	316.94	6.75	-118.10
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000450625	1	34	-2.0	-124.63	325.82	6.66	-117.97
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=CC=C1	REAL300000450626	1	34	-2.0	-130.52	308.49	6.33	-124.19
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000450628	0	34	-2.0	-131.72	312.96	7.06	-124.66
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000450629	1	34	-2.0	-117.79	339.00	7.08	-110.71
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000450630	1	31	-2.0	-125.20	303.81	6.18	-119.02
CC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450631	0	34	-2.0	-124.14	338.97	7.24	-116.90
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450632	1	36	-2.0	-127.12	328.33	6.09	-121.03
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000450633	1	37	-2.0	-131.07	323.99	7.11	-123.96
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000450635	1	31	-2.0	-117.73	309.67	6.23	-111.50
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000450636	1	36	-2.0	-140.10	329.86	6.15	-133.95
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450638	0	37	-2.0	-142.98	332.33	7.06	-135.92
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450639	1	40	-2.0	-122.42	363.73	7.26	-115.16
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450640	0	31	-2.0	-125.75	315.41	6.69	-119.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000450641	1	37	-2.0	-124.92	342.61	6.42	-118.50
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300000450642	1	43	-2.0	-128.94	363.30	7.99	-120.95
CC1=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)N(C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300000450645	1	42	-2.0	-127.50	381.85	3.71	-123.79
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450646	0	37	-3.0	-206.59	343.70	6.03	-200.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450646	1	38	-2.0	-135.93	346.51	5.97	-129.96
CC1=CC(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000450647	0	38	-2.0	-108.73	353.46	7.40	-101.33
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000450647	1	37	-3.0	-181.28	347.01	7.53	-173.75
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450648	0	31	-2.0	-129.14	310.69	6.99	-122.15
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CC(C(=O)[O-])=C1	REAL300000450649	0	28	-2.0	-120.44	296.07	5.29	-115.15
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450651	0	35	-2.0	-137.21	315.35	5.46	-131.75
CC1=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450652	0	37	-2.0	-137.72	334.03	6.76	-130.96
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450653	0	42	-2.0	-155.58	371.72	4.33	-151.25
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=CC(C(=O)[O-])=C1	REAL300000450654	0	31	-2.0	-120.74	305.14	5.86	-114.88
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000450655	1	31	-2.0	-119.19	320.55	6.69	-112.50
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450656	0	31	-2.0	-129.95	300.22	6.23	-123.72
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=CC(C(=O)[O-])=C1	REAL300000450657	1	31	-2.0	-125.16	308.38	6.29	-118.87
CC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450658	1	33	-2.0	-125.19	315.30	6.33	-118.86
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)=CC(C(=O)[O-])=C1	REAL300000450659	1	36	-2.0	-126.80	330.80	7.12	-119.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450660	1	33	-2.0	-118.15	327.75	6.71	-111.44
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000450662	0	33	-2.0	-140.27	308.18	7.09	-133.18
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450663	0	33	-3.0	-194.80	328.62	6.80	-188.00
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450663	1	34	-2.0	-126.79	331.27	6.77	-120.02
CC1=CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450664	0	34	-2.0	-133.99	330.54	6.62	-127.37
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450664	1	33	-3.0	-192.57	328.05	6.62	-185.95
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=CC(C(=O)[O-])=C1	REAL300000450667	0	31	-2.0	-123.56	298.99	5.80	-117.76
CC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC(C(=O)[O-])=C1	REAL300000450668	1	31	-2.0	-125.43	293.49	5.73	-119.70
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=CC(C(=O)[O-])=C1	REAL300000450669	1	31	-2.0	-118.41	299.90	5.81	-112.60
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=CC(C(=O)[O-])=C1	REAL300000450671	1	37	-2.0	-128.84	331.57	4.82	-124.02
CC1=CC([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)=CC(C(=O)[O-])=C1	REAL300000450673	1	46	-2.0	-132.81	378.78	8.77	-124.04
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=CC(C(=O)[O-])=C1	REAL300000450674	1	31	-2.0	-121.82	303.82	6.19	-115.63
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=CC(C(=O)[O-])=C1	REAL300000450675	1	31	-2.0	-121.76	308.39	6.30	-115.46
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000450676	0	33	-2.0	-115.20	315.32	6.34	-108.86
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450677	1	38	-2.0	-135.13	343.46	4.57	-130.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)S1	REAL300000450678	0	31	-2.0	-128.01	300.90	5.47	-122.54
CC1=CC([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)(C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300000450679	1	47	-2.0	-133.70	402.24	6.60	-127.10
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC(C(=O)[O-])=C1	REAL300000450680	0	40	-2.0	-140.72	350.50	7.51	-133.21
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC(C(=O)[O-])=C1	REAL300000450680	1	39	-3.0	-203.41	348.22	7.58	-195.83
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450681	0	35	-2.0	-128.97	332.08	5.98	-122.99
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2C)=CC(C(=O)[O-])=C1	REAL300000450682	1	34	-2.0	-126.19	323.87	7.07	-119.12
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000450683	0	33	-2.0	-129.40	324.91	7.60	-121.80
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(C(=O)[O-])=C1	REAL300000450684	0	33	-3.0	-196.89	321.03	6.29	-190.60
CC1=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000450685	0	28	-2.0	-119.58	309.93	5.82	-113.76
CC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=CC(C(=O)[O-])=C1	REAL300000450687	1	36	-2.0	-122.30	325.33	6.95	-115.35
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=CC(C(=O)[O-])=C1	REAL300000450688	0	31	-2.0	-128.23	298.99	5.80	-122.43
CC1=CC(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000450689	0	40	-2.0	-110.20	365.57	7.70	-102.50
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000450689	1	39	-3.0	-181.12	359.13	7.82	-173.30
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450690	1	41	-2.0	-134.82	363.76	5.38	-129.44
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=CC(C(=O)[O-])=C1	REAL300000450691	1	35	-2.0	-123.24	322.84	2.49	-120.75
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450693	1	35	-2.0	-126.50	327.29	6.69	-119.81
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=CC(C(=O)[O-])=C1	REAL300000450694	1	36	-2.0	-124.88	329.12	4.11	-120.77
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=CC(C(=O)[O-])=C1	REAL300000450695	1	39	-2.0	-126.23	346.91	4.86	-121.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1OCC	REAL300000450696	1	45	-2.0	-126.95	389.52	6.71	-120.24
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(C(=O)[O-])=C1	REAL300000450698	0	30	-3.0	-189.50	308.73	5.24	-184.26
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=CC(C(=O)[O-])=C1	REAL300000450699	1	34	-2.0	-122.50	318.83	3.17	-119.33
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(C(=O)[O-])=C1	REAL300000450701	0	37	-2.0	-138.55	333.77	6.98	-131.57
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(C(=O)[O-])=C1	REAL300000450701	1	36	-3.0	-201.02	330.98	7.01	-194.01
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1	REAL300000450702	0	37	-2.0	-125.69	323.78	4.70	-120.99
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000450703	1	39	-2.0	-132.31	363.70	1.83	-130.48
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)=CC(C(=O)[O-])=C1	REAL300000450704	1	39	-2.0	-126.74	348.08	7.69	-119.05
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)C=C2CC1C	REAL300000450705	1	45	-2.0	-136.56	382.07	7.26	-129.30
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450706	1	37	-2.0	-122.90	341.86	6.33	-116.57
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450707	1	38	-2.0	-127.37	343.53	3.95	-123.42
CC1=CC([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)=CC(C(=O)[O-])=C1	REAL300000450708	1	36	-2.0	-128.68	341.34	0.63	-128.05
CC1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000450709	1	35	-2.0	-123.76	342.36	5.79	-117.97
CC1=CC([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)=CC(C(=O)[O-])=C1	REAL300000450710	1	42	-2.0	-135.74	364.90	6.79	-128.95
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000450711	1	45	-2.0	-140.11	379.75	7.25	-132.86
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450712	0	40	-2.0	-137.29	359.21	7.34	-129.95
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=CC(C(=O)[O-])=C1	REAL300000450713	1	35	-2.0	-127.30	321.60	2.45	-124.85
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000450714	1	42	-2.0	-137.15	366.33	6.72	-130.43
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000450716	1	37	-2.0	-132.35	333.04	7.95	-124.40
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=CS1	REAL300000450717	0	34	-2.0	-138.94	326.67	5.98	-132.96
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450718	1	41	-2.0	-127.84	363.66	6.18	-121.66
CC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000450720	0	38	-2.0	-108.38	353.08	6.39	-101.99
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300000450722	1	42	-2.0	-130.54	371.32	9.79	-120.75
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=CC(C(=O)[O-])=C1	REAL300000450724	1	31	-2.0	-120.87	293.50	5.74	-115.13
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC(C(=O)[O-])=C1	REAL300000450725	0	31	-2.0	-133.64	292.59	5.73	-127.91
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)=CC(C(=O)[O-])=C1	REAL300000450727	0	36	-2.0	-124.30	342.21	4.67	-119.63
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=CC(C(=O)[O-])=C1	REAL300000450728	1	36	-2.0	-124.03	329.47	6.18	-117.85
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450729	0	37	-2.0	-142.17	339.94	4.26	-137.91
CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1	REAL300000450730	0	39	-2.0	-146.55	348.44	6.94	-139.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C(Cl)=C1	REAL300000450732	0	34	-2.0	-129.54	321.63	6.90	-122.64
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000450733	0	35	-2.0	-131.17	331.84	5.94	-125.23
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=CC(C(=O)[O-])=C1	REAL300000450734	1	37	-2.0	-124.55	337.81	2.90	-121.65
CC1=CC([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)=CC(C(=O)[O-])=C1	REAL300000450735	1	36	-2.0	-131.43	341.32	0.62	-130.81
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)=CC(C(=O)[O-])=C1	REAL300000450736	1	39	-2.0	-125.17	349.94	6.09	-119.08
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000450737	0	37	-2.0	-134.71	337.65	6.38	-128.33
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)=CC(C(=O)[O-])=C1	REAL300000450738	1	37	-2.0	-123.14	343.64	2.66	-120.48
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000450739	1	38	-2.0	-121.36	352.72	4.93	-116.43
CC1=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=CC(C(=O)[O-])=C1	REAL300000450740	1	36	-2.0	-120.86	334.79	7.17	-113.69
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)=CC(C(=O)[O-])=C1	REAL300000450741	1	37	-2.0	-124.00	341.22	5.63	-118.37
CC1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000450742	1	35	-2.0	-122.59	333.09	5.45	-117.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=CC(C(=O)[O-])=C1	REAL300000450743	1	37	-2.0	-131.87	347.78	3.19	-128.68
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450745	1	39	-2.0	-127.98	363.72	1.84	-126.14
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300000450746	1	41	-2.0	-132.23	356.95	9.54	-122.69
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450747	0	31	-2.0	-120.47	306.61	6.30	-114.17
CC1=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=CC(C(=O)[O-])=C1	REAL300000450748	0	43	-2.0	-134.62	373.02	5.00	-129.62
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000450749	0	38	-2.0	-138.03	348.65	4.62	-133.41
CC1=CC([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=CC(C(=O)[O-])=C1	REAL300000450750	1	37	-2.0	-135.18	347.78	3.18	-132.00
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)=CC(C(=O)[O-])=C1	REAL300000450751	1	40	-2.0	-129.20	361.30	8.37	-120.83
CC1=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)N(C)C)=C2)=CC(C(=O)[O-])=C1	REAL300000450752	1	42	-2.0	-131.82	382.68	3.66	-128.16
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1OC	REAL300000450754	0	39	-2.0	-128.55	351.30	4.94	-123.61
CC1=CC(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450756	0	35	-2.0	-103.88	324.66	5.57	-98.31
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450756	1	34	-3.0	-194.46	322.19	5.59	-188.87
CC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=CC(C(=O)[O-])=C1	REAL300000450757	0	31	-2.0	-134.71	304.55	5.23	-129.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C(Br)=C1	REAL300000450758	1	34	-2.0	-128.66	324.99	7.04	-121.62
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=CC(C(=O)[O-])=C1	REAL300000450759	0	36	-2.0	-125.43	329.09	1.83	-123.60
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CC(C(=O)[O-])=C1	REAL300000450760	0	38	-2.0	-139.82	342.55	5.03	-134.79
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000450761	0	37	-2.0	-131.74	354.95	6.89	-124.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000450763	1	35	-2.0	-124.34	332.60	5.52	-118.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1F	REAL300000450764	1	35	-2.0	-124.01	322.80	5.03	-118.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)=CC(C(=O)[O-])=C1	REAL300000450767	1	38	-2.0	-122.66	337.66	3.12	-119.54
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000450768	1	39	-2.0	-123.71	348.90	3.05	-120.66
CC1=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)C3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000450769	1	47	-2.0	-135.24	396.25	8.88	-126.36
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)=CC(C(=O)[O-])=C1	REAL300000450770	1	36	-2.0	-115.68	330.79	7.12	-108.56
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CN1C	REAL300000450772	0	39	-2.0	-125.86	351.04	3.33	-122.53
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)=CC(C(=O)[O-])=C1	REAL300000450773	1	34	-2.0	-126.29	319.30	6.96	-119.33
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)C=N2)C=C1	REAL300000450775	0	41	-2.0	-124.87	369.05	7.47	-117.40
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)=CC(C(=O)[O-])=C1	REAL300000450777	1	42	-2.0	-127.38	362.66	5.80	-121.58
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)=CC(C(=O)[O-])=C1	REAL300000450779	1	39	-2.0	-127.51	350.63	5.52	-121.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000450780	0	33	-3.0	-184.54	324.66	5.91	-178.63
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000450781	1	32	-2.0	-116.64	323.29	6.48	-110.16
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=CC(C(=O)[O-])=C1	REAL300000450782	1	32	-2.0	-117.21	323.31	6.48	-110.73
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC(C(=O)[O-])=C1	REAL300000450783	0	40	-2.0	-139.48	348.92	7.54	-131.94
CC1=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000450784	1	35	-2.0	-133.17	325.45	6.04	-127.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C2=CC=CN=C12	REAL300000450785	1	40	-2.0	-130.87	352.39	5.46	-125.41
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000450786	1	34	-2.0	-125.92	322.55	6.78	-119.14
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=CC(C(=O)[O-])=C1	REAL300000450787	0	31	-2.0	-129.16	308.76	6.23	-122.93
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Br)=CC(C(=O)[O-])=C1	REAL300000450788	0	31	-2.0	-119.71	309.97	6.44	-113.27
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450790	0	37	-2.0	-121.90	343.56	6.13	-115.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000450791	1	41	-2.0	-135.49	356.45	7.33	-128.16
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000450792	1	34	-2.0	-125.73	313.80	6.37	-119.36
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)=CC(C(=O)[O-])=C1	REAL300000450793	1	34	-2.0	-122.29	319.30	6.94	-115.35
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450794	0	31	-2.0	-119.97	327.42	7.49	-112.48
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000450795	0	34	-2.0	-134.00	314.00	6.40	-127.60
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C)=CC(C(=O)[O-])=C1	REAL300000450796	1	34	-2.0	-126.63	308.97	6.51	-120.12
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=CC(C(=O)[O-])=C1	REAL300000450797	1	37	-2.0	-127.95	347.14	7.74	-120.21
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000450798	0	36	-2.0	-141.15	325.44	8.01	-133.14
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)=CC(C(=O)[O-])=C1	REAL300000450799	0	39	-2.0	-128.76	352.39	4.92	-123.84
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000450800	0	35	-2.0	-121.53	333.68	7.45	-114.08
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)=CC(C(=O)[O-])=C1	REAL300000450801	1	41	-2.0	-139.28	359.63	5.50	-133.78
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)=CC(C(=O)[O-])=C1	REAL300000450803	0	39	-2.0	-147.02	348.35	6.95	-140.07
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450806	0	30	-3.0	-191.63	307.20	5.27	-186.36
CC1=CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450806	1	31	-2.0	-129.70	309.70	5.28	-124.42
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(C)=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450807	0	34	-2.0	-129.97	329.46	7.56	-122.41
COC1=CC(S(=O)(=O)NC2=CC(C)=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000450808	0	42	-2.0	-137.40	376.32	6.04	-131.36
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000450808	1	41	-3.0	-196.64	373.88	6.04	-190.60
CC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2C)=CC(C(=O)[O-])=C1	REAL300000450809	1	40	-2.0	-137.28	363.28	3.97	-133.31
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450810	0	33	-2.0	-114.63	328.44	6.91	-107.72
COC1=CC=C(S(=O)(=O)NC2=CC(C)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000450811	0	38	-2.0	-108.18	345.31	6.29	-101.89
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000450812	1	39	-2.0	-129.14	337.06	7.04	-122.10
CC1=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=CC(C(=O)[O-])=C1	REAL300000450814	0	28	-2.0	-127.92	299.39	5.23	-122.69
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000450815	1	38	-2.0	-123.81	350.69	4.36	-119.45
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450816	1	44	-2.0	-137.47	390.78	5.47	-132.00
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000450817	0	33	-2.0	-133.14	314.56	7.16	-125.98
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450818	0	45	-2.0	-140.27	397.53	4.48	-135.79
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC(C(=O)[O-])=C1	REAL300000450819	0	44	-2.0	-138.60	373.81	8.83	-129.77
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC(C(=O)[O-])=C1	REAL300000450819	1	43	-3.0	-206.52	370.78	8.86	-197.66
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC(C(=O)[O-])=C1	REAL300000450820	0	43	-2.0	-142.06	369.90	7.81	-134.25
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC(C(=O)[O-])=C1	REAL300000450820	1	42	-3.0	-205.04	369.45	8.23	-196.81
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300000450821	1	41	-2.0	-129.45	361.27	9.08	-120.37
CC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000450822	0	33	-2.0	-135.08	320.48	7.04	-128.04
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450823	0	40	-2.0	-138.63	368.02	4.13	-134.50
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000450824	1	42	-2.0	-138.89	377.83	5.34	-133.55
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)=CC(C(=O)[O-])=C1	REAL300000450827	1	42	-2.0	-139.55	375.16	5.65	-133.90
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000450828	0	35	-2.0	-133.40	318.28	4.03	-129.37
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000450828	1	35	-2.0	-106.34	317.47	4.80	-101.54
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450829	0	40	-2.0	-142.27	347.34	7.48	-134.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450829	1	39	-3.0	-200.21	345.69	7.95	-192.26
CC1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=CC(C(=O)[O-])=C1	REAL300000450830	0	34	-2.0	-130.44	326.59	6.57	-123.87
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)N(C)C2=C3C=CC=C2)=CC(C(=O)[O-])=C1	REAL300000450831	1	44	-2.0	-135.70	386.95	9.51	-126.19
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450832	0	40	-3.0	-208.75	365.98	6.80	-201.95
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450832	1	41	-2.0	-136.39	368.80	6.72	-129.67
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450833	0	36	-3.0	-192.08	346.42	6.80	-185.28
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450833	1	35	-4.0	-280.83	343.95	6.78	-274.05
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)S1	REAL300000450834	0	34	-2.0	-120.48	334.96	5.43	-115.05
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC(C(=O)[O-])=C1	REAL300000450835	0	41	-2.0	-140.72	360.84	8.15	-132.57
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC(C(=O)[O-])=C1	REAL300000450835	1	40	-3.0	-206.32	359.79	8.13	-198.19
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(S(C)(=O)=O)=C2)=CC(C(=O)[O-])=C1	REAL300000450836	1	37	-2.0	-130.05	352.17	3.20	-126.85
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000450837	0	39	-2.0	-140.70	344.04	8.25	-132.45
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=CC(C(=O)[O-])=C1	REAL300000450838	1	35	-2.0	-119.08	324.85	6.04	-113.04
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=CC(C(=O)[O-])=C1	REAL300000450839	0	31	-2.0	-125.79	301.99	6.02	-119.77
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)S1	REAL300000450840	0	41	-2.0	-136.66	383.21	4.60	-132.06
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)S1	REAL300000450841	0	41	-2.0	-126.20	380.30	4.65	-121.55
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C=C(C(=O)[O-])O1	REAL300000450842	0	33	-3.0	-189.19	318.56	5.37	-183.82
CC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C)=C2)C=C(C(=O)[O-])O1	REAL300000450842	1	34	-2.0	-126.53	321.17	5.33	-121.20
CC1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=CC(C(=O)[O-])=C1	REAL300000450843	0	34	-2.0	-150.79	315.28	4.87	-145.92
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000450844	0	37	-2.0	-134.82	347.35	6.38	-128.44
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450845	0	41	-2.0	-139.34	358.61	7.05	-132.29
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000450846	1	34	-2.0	-117.00	331.42	6.72	-110.28
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450847	1	47	-2.0	-126.18	399.31	7.44	-118.74
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000450849	0	33	-2.0	-140.01	320.77	7.82	-132.19
CC1=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=CC(C(=O)[O-])=C1	REAL300000450850	1	36	-2.0	-139.33	335.36	5.85	-133.48
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000450851	1	44	-2.0	-135.09	378.31	8.26	-126.83
CC1=CC(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450852	0	40	-2.0	-110.37	360.18	6.01	-104.36
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450852	1	39	-3.0	-202.53	357.72	6.00	-196.53
CC1=CC([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300000450853	1	35	-2.0	-121.81	343.47	7.13	-114.68
CC1=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=CC(C(=O)[O-])=C1	REAL300000450854	0	30	-2.0	-118.10	303.41	4.47	-113.63
CC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2F)=CC(C(=O)[O-])=C1	REAL300000450857	0	37	-2.0	-138.99	353.29	3.26	-135.73
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000450858	0	33	-2.0	-144.90	313.10	7.29	-137.61
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC(C(=O)[O-])=C1	REAL300000450859	0	37	-3.0	-198.38	344.53	5.32	-193.06
CC1=CC(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC(C(=O)[O-])=C1	REAL300000450859	1	38	-2.0	-105.65	347.27	5.31	-100.34
CC1=CC(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=CC(C(=O)[O-])=C1	REAL300000450860	0	42	-2.0	-120.30	370.92	6.84	-113.46
CC1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1	REAL300000450861	0	38	-2.0	-125.39	347.65	6.78	-118.61
CC1=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1	REAL300000450862	0	41	-2.0	-125.16	373.07	7.23	-117.93
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450864	0	33	-3.0	-189.61	333.14	6.81	-182.80
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450864	1	34	-2.0	-125.68	335.82	6.80	-118.88
CC1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC(C(=O)[O-])=C1	REAL300000450865	0	30	-2.0	-117.90	288.49	3.95	-113.95
CC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000450866	0	38	-2.0	-105.48	365.15	7.05	-98.43
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000450866	1	37	-3.0	-177.74	362.65	7.04	-170.70
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)=CC(C(=O)[O-])=C1	REAL300000450867	0	31	-2.0	-127.84	313.88	6.36	-121.48
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000450868	1	37	-2.0	-125.17	341.51	7.18	-117.99
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)=CC(C(=O)[O-])=C1	REAL300000450869	1	41	-2.0	-124.67	367.34	6.58	-118.09
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000450870	0	34	-2.0	-126.51	335.13	5.33	-121.18
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450871	1	39	-2.0	-125.98	345.53	8.06	-117.92
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=CC(C(=O)[O-])=C1	REAL300000450872	1	36	-2.0	-130.51	323.25	6.10	-124.41
CC1=CC([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)=CC(C(=O)[O-])=C1	REAL300000450873	0	37	-2.0	-129.31	359.92	6.42	-122.89
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450874	0	30	-2.0	-117.75	312.24	4.80	-112.95
CC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CC(C(=O)[O-])=C1	REAL300000450875	0	41	-2.0	-108.93	369.17	7.22	-101.71
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3)C=C12	REAL300000450877	1	39	-2.0	-121.03	353.41	5.39	-115.64
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3)C=C12	REAL300000450878	0	35	-2.0	-115.77	326.84	2.64	-113.13
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=CC(C(=O)[O-])=C1	REAL300000450879	0	31	-2.0	-115.63	303.03	4.19	-111.44
CC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=CC(C(=O)[O-])=C1	REAL300000450881	0	31	-2.0	-129.92	298.87	5.80	-124.12
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000450882	0	35	-2.0	-131.87	325.08	5.25	-126.62
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450883	0	37	-2.0	-137.25	349.04	7.58	-129.67
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000450884	0	33	-2.0	-132.99	324.89	7.61	-125.38
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC(C(=O)[O-])=C1	REAL300000450885	0	37	-2.0	-128.17	339.04	7.02	-121.15
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC(C(=O)[O-])=C1	REAL300000450885	1	36	-3.0	-189.15	336.26	7.05	-182.10
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=CC(C(=O)[O-])=C1	REAL300000450886	0	37	-2.0	-135.37	330.22	5.31	-130.06
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=CN1C	REAL300000450887	0	34	-2.0	-137.73	310.62	4.56	-133.17
CC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000450888	0	38	-2.0	-106.45	355.35	6.57	-99.88
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000450888	1	37	-3.0	-178.22	352.84	6.57	-171.65
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300000450889	0	35	-2.0	-131.63	325.10	5.72	-125.91
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000450890	1	40	-2.0	-131.98	363.74	7.25	-124.73
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=N1	REAL300000450891	0	34	-2.0	-124.21	313.17	4.24	-119.97
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450892	1	43	-2.0	-121.97	385.23	8.05	-113.92
CC1=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C(=O)NC(=O)N3C)=CC(C(=O)[O-])=C1	REAL300000450893	0	39	-2.0	-117.84	356.43	3.14	-114.70
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000450894	1	38	-2.0	-131.89	342.16	5.38	-126.51
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450895	0	37	-2.0	-137.35	338.71	7.13	-130.22
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=CC(C(=O)[O-])=C1	REAL300000450896	0	39	-2.0	-135.84	350.08	6.22	-129.62
CC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=CC(C(=O)[O-])=C1	REAL300000450897	0	34	-2.0	-127.25	331.33	6.74	-120.51
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000450898	0	34	-2.0	-121.89	319.37	7.12	-114.77
CC1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=CC(C(=O)[O-])=C1	REAL300000450899	0	31	-2.0	-125.55	319.17	5.76	-119.79
CCOC1=CC=C(S(=O)(=O)NC2=CC(C)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000450900	0	41	-2.0	-108.53	367.18	7.20	-101.33
CC1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=CC(C(=O)[O-])=C1	REAL300000450901	1	36	-2.0	-127.17	323.07	4.96	-122.21
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000450902	1	40	-2.0	-119.62	368.28	7.27	-112.35
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450903	0	31	-2.0	-124.97	306.62	6.30	-118.67
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3)C=C2)=CO1	REAL300000450904	1	40	-2.0	-131.28	363.49	4.74	-126.54
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000450907	1	35	-2.0	-120.73	331.39	2.52	-118.21
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000450908	1	35	-2.0	-131.23	316.59	4.96	-126.27
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C)=CC(C(=O)[O-])=C1	REAL300000450909	1	34	-2.0	-130.47	302.15	6.46	-124.01
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)S1	REAL300000450910	0	37	-2.0	-131.81	348.69	3.88	-127.93
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)S1	REAL300000450910	1	36	-3.0	-191.27	345.38	2.76	-188.51
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000450915	0	37	-2.0	-120.22	351.89	6.41	-113.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C(F)=C1	REAL300000450916	0	34	-2.0	-133.06	314.00	6.41	-126.65
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000450917	0	35	-2.0	-123.34	345.71	6.09	-117.25
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)O1	REAL300000450919	0	34	-2.0	-120.25	326.63	4.46	-115.79
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=CC(C(=O)[O-])=C1	REAL300000450920	0	36	-2.0	-146.64	327.00	6.30	-140.34
CC1=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=CC(C(=O)[O-])=C1	REAL300000450921	0	37	-2.0	-132.48	353.93	6.31	-126.17
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=CC(C(=O)[O-])=C1	REAL300000450922	0	31	-2.0	-118.67	305.26	5.85	-112.82
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(S(C)(=O)=O)=C2C)=CC(C(=O)[O-])=C1	REAL300000450923	1	43	-2.0	-132.40	374.97	4.57	-127.83
CC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C)=C2)C=C(C(=O)[O-])S1	REAL300000450924	0	34	-2.0	-133.12	327.79	6.11	-127.01
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C=C(C(=O)[O-])S1	REAL300000450924	1	33	-3.0	-195.09	325.24	6.11	-188.98
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1C	REAL300000450925	1	40	-2.0	-129.97	351.92	6.97	-123.00
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000450926	0	35	-2.0	-130.78	329.69	5.53	-125.25
CC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)=CC(C(=O)[O-])=C1	REAL300000450927	0	33	-2.0	-118.23	317.73	4.89	-113.34
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450928	0	37	-2.0	-137.36	346.16	3.20	-134.16
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450930	1	40	-2.0	-134.52	364.05	7.12	-127.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1C(=O)N(C)C	REAL300000450932	1	45	-2.0	-127.32	389.25	5.43	-121.89
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)C=C21	REAL300000450933	1	42	-2.0	-152.20	366.26	6.72	-145.48
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1	REAL300000450934	0	43	-2.0	-126.04	365.19	6.31	-119.73
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)SC=C1	REAL300000450935	0	31	-2.0	-130.25	297.82	5.30	-124.95
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000450936	1	37	-2.0	-124.93	358.60	6.83	-118.10
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1C	REAL300000450937	0	40	-2.0	-125.80	346.52	5.61	-120.19
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1C	REAL300000450938	1	40	-2.0	-123.36	357.90	6.86	-116.50
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)=CC(C(=O)[O-])=C1	REAL300000450939	0	36	-2.0	-115.94	331.30	6.84	-109.10
CC1=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000450941	1	39	-2.0	-141.40	346.67	4.13	-137.27
CC1=CC([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)=CC(C(=O)[O-])=C1	REAL300000450942	1	40	-2.0	-142.83	372.12	3.88	-138.95
CC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)=CC(C(=O)[O-])=C1	REAL300000450943	1	35	-2.0	-126.07	323.36	6.84	-119.23
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000450944	1	38	-2.0	-135.45	348.30	4.67	-130.78
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2F)=CC(C(=O)[O-])=C1	REAL300000450945	0	36	-2.0	-127.12	339.47	7.03	-120.09
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)=CC(C(=O)[O-])=C1	REAL300000450946	1	43	-2.0	-128.12	339.32	8.35	-119.77
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C3OC(C)CC3=C2)=CC(C(=O)[O-])=C1	REAL300000450947	1	39	-2.0	-124.04	360.87	6.79	-117.25
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000450948	1	41	-2.0	-147.62	360.96	5.41	-142.21
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)C=C21	REAL300000450949	1	45	-2.0	-153.29	379.56	7.28	-146.01
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000450950	0	35	-2.0	-130.39	324.76	6.13	-124.26
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)=CC(C(=O)[O-])=C1	REAL300000450951	1	35	-2.0	-120.83	323.33	6.83	-114.00
CC1=CC([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=CC(C(=O)[O-])=C1	REAL300000450953	1	40	-2.0	-135.06	355.78	5.74	-129.32
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC=C1OC	REAL300000450954	1	41	-2.0	-125.93	369.17	6.37	-119.56
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=CC(C(=O)[O-])=C1	REAL300000450955	0	32	-2.0	-123.09	313.39	6.13	-116.96
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000450956	0	34	-2.0	-131.76	325.53	7.71	-124.05
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3)C=C2O1	REAL300000450957	1	36	-2.0	-125.36	330.73	3.33	-122.03
CC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=CC(C(=O)[O-])=C1	REAL300000450958	0	37	-2.0	-124.22	331.85	4.75	-119.47
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)=CC(C(=O)[O-])=C1	REAL300000450959	0	36	-2.0	-126.69	326.19	2.02	-124.67
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000450960	1	36	-2.0	-129.00	328.05	6.06	-122.94
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=N1	REAL300000450961	0	37	-2.0	-129.49	346.44	4.44	-125.05
CC1=CC([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=CC(C(=O)[O-])=C1	REAL300000450962	0	37	-2.0	-133.61	331.05	4.10	-129.51
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000450963	0	34	-2.0	-128.34	328.92	7.47	-120.87
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C=NN1C1=CC=CC=N1	REAL300000450964	0	40	-2.0	-130.16	361.65	6.90	-123.26
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)=CC(C(=O)[O-])=C1	REAL300000450966	0	35	-2.0	-124.02	343.91	6.96	-117.06
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000450967	1	31	-2.0	-111.30	306.09	5.86	-105.44
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300000450968	1	42	-2.0	-125.68	369.71	7.51	-118.17
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CN1C	REAL300000450970	0	38	-2.0	-130.79	348.26	5.78	-125.01
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450971	1	46	-2.0	-128.85	377.53	8.46	-120.39
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450972	0	33	-3.0	-178.63	328.60	6.79	-171.84
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000450972	1	34	-2.0	-104.14	331.25	6.77	-97.37
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000450973	0	34	-2.0	-113.51	322.55	6.26	-107.25
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000450973	1	33	-3.0	-179.40	320.07	6.27	-173.13
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)=CC(C(=O)[O-])=C1	REAL300000450974	1	39	-2.0	-137.67	353.19	5.09	-132.58
CC1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=CC(C(=O)[O-])=C1	REAL300000450975	0	38	-2.0	-128.37	352.05	6.94	-121.43
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)S1	REAL300000450976	0	31	-2.0	-128.43	321.28	6.03	-122.40
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000450977	1	31	-2.0	-118.15	314.09	6.33	-111.82
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000450978	1	41	-2.0	-137.19	354.46	5.88	-131.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2)=CC(C(=O)[O-])=C1	REAL300000450980	1	31	-2.0	-117.92	314.09	6.33	-111.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C(Cl)=C1Cl	REAL300000450981	0	35	-2.0	-124.62	344.16	6.04	-118.58
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=N1	REAL300000450982	0	42	-2.0	-130.25	374.83	6.42	-123.83
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=CC(C(=O)[O-])=C1	REAL300000450983	0	34	-2.0	-120.98	331.91	3.74	-117.24
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(C(=O)[O-])=C1	REAL300000450984	0	30	-3.0	-182.92	307.82	5.36	-177.56
CC1=CC([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=CC(C(=O)[O-])=C1	REAL300000450985	0	40	-2.0	-135.44	351.79	6.63	-128.81
CC1=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450986	0	34	-2.0	-100.64	324.44	6.29	-94.35
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000450986	1	33	-3.0	-186.81	321.95	6.30	-180.51
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC(C(=O)[O-])=C1	REAL300000450987	0	36	-3.0	-198.54	341.32	6.93	-191.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300000450988	1	45	-2.0	-125.00	379.89	7.73	-117.27
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000450989	0	37	-3.0	-182.73	355.86	6.85	-175.88
COC1=CC(S(=O)(=O)NC2=CC(C)=CC(C(=O)[O-])=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000450989	1	38	-2.0	-107.50	358.53	6.83	-100.67
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CN1	REAL300000450990	0	35	-2.0	-127.80	330.49	4.02	-123.78
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(C(=O)[O-])=C1	REAL300000450991	0	33	-3.0	-180.65	321.01	6.30	-174.35
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(C(=O)[O-])=C1	REAL300000450991	1	34	-2.0	-103.17	323.77	6.26	-96.91
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000450992	0	34	-2.0	-109.34	330.52	6.63	-102.71
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000450992	1	33	-3.0	-178.18	328.04	6.63	-171.55
CC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C)=CC(C(=O)[O-])=C1	REAL300000450993	1	34	-2.0	-124.89	307.47	6.49	-118.40
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(Br)=C2)=CC(C(=O)[O-])=C1	REAL300000450994	1	34	-2.0	-126.13	326.58	6.86	-119.27
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000450995	1	40	-2.0	-125.64	357.93	6.85	-118.79
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CS1	REAL300000450996	0	34	-2.0	-127.06	334.36	5.36	-121.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000450997	1	37	-2.0	-119.35	346.41	6.35	-113.00
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)S1	REAL300000450998	0	33	-2.0	-125.01	312.29	4.23	-120.78
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=CC(C(=O)[O-])=C1	REAL300000450999	1	35	-2.0	-135.55	329.34	6.85	-128.70
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)=CC(C(=O)[O-])=C1	REAL300000451000	1	39	-2.0	-114.64	345.44	8.01	-106.63
CC(=O)NC1=CC(S(=O)(=O)NC2=CC(C)=CC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000451001	1	39	-2.0	-116.72	352.14	2.59	-114.13
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC(C(=O)[O-])=C1	REAL300000451004	0	37	-2.0	-129.71	347.81	7.41	-122.30
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC(C(=O)[O-])=C1	REAL300000451004	1	36	-3.0	-191.55	344.99	7.43	-184.12
CC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)=CC(C(=O)[O-])=C1	REAL300000451005	1	37	-2.0	-125.79	341.31	7.45	-118.34
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000451006	0	31	-2.0	-121.26	320.28	5.99	-115.27
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451007	1	37	-2.0	-130.98	329.98	7.09	-123.89
CC1=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=CC(C(=O)[O-])=C1	REAL300000451008	0	34	-2.0	-125.01	342.73	7.60	-117.41
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000451009	1	34	-2.0	-125.50	314.92	6.40	-119.10
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000451010	0	42	-2.0	-106.36	385.74	7.52	-98.84
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000451010	1	41	-3.0	-177.90	379.29	7.64	-170.26
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451011	0	37	-2.0	-121.55	344.98	5.13	-116.42
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=CC(C(=O)[O-])=C1	REAL300000451012	1	37	-2.0	-123.91	338.48	4.73	-119.18
CC1=CC(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451013	0	34	-2.0	-127.58	328.85	6.32	-121.26
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451013	1	33	-3.0	-183.21	326.37	6.32	-176.89
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451014	0	36	-2.0	-100.05	346.22	6.89	-93.16
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451014	1	35	-3.0	-180.12	343.74	6.89	-173.23
CC1=CC([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=CC(C(=O)[O-])=C1	REAL300000451015	0	34	-2.0	-129.91	340.44	7.54	-122.37
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451016	0	41	-2.0	-140.28	370.03	6.12	-134.16
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451017	1	43	-2.0	-134.48	374.55	7.66	-126.82
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)=CC(C(=O)[O-])=C1	REAL300000451019	0	34	-2.0	-123.88	319.30	6.43	-117.45
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000451020	0	37	-2.0	-137.64	338.87	8.73	-128.91
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000451021	1	37	-2.0	-138.92	328.13	7.98	-130.94
CC1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=CC(C(=O)[O-])=C1	REAL300000451022	0	33	-2.0	-124.88	319.08	5.15	-119.73
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451023	0	36	-2.0	-124.43	347.11	7.53	-116.90
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451024	1	35	-2.0	-115.97	343.72	6.85	-109.12
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)S1	REAL300000451025	0	38	-2.0	-131.15	364.94	4.75	-126.40
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2C)=CC(C(=O)[O-])=C1	REAL300000451026	1	34	-2.0	-124.95	320.25	6.98	-117.97
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(C(=O)[O-])=C1	REAL300000451027	0	34	-3.0	-200.28	325.27	3.93	-196.35
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(C(=O)[O-])=C1	REAL300000451027	1	34	-3.0	-194.32	324.46	4.74	-189.58
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=CC(C(=O)[O-])=C1	REAL300000451028	1	41	-2.0	-134.68	342.40	8.30	-126.38
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451029	0	36	-2.0	-124.48	351.02	5.06	-119.42
CC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000451030	0	37	-2.0	-123.02	344.18	6.89	-116.13
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1	REAL300000451030	1	36	-3.0	-186.62	337.73	7.02	-179.60
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000451031	1	38	-2.0	-128.29	356.97	5.18	-123.11
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)O1	REAL300000451032	0	37	-2.0	-120.39	348.49	5.39	-115.00
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451033	0	33	-2.0	-116.12	321.71	6.40	-109.72
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451034	0	36	-2.0	-139.56	341.41	6.65	-132.91
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)=CC(C(=O)[O-])=C1	REAL300000451035	1	43	-2.0	-127.34	377.81	7.20	-120.14
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2C)=CC(C(=O)[O-])=C1	REAL300000451036	1	36	-2.0	-119.64	343.24	7.47	-112.17
CC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)=CC(C(=O)[O-])=C1	REAL300000451037	0	34	-2.0	-133.40	329.81	6.37	-127.03
COC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)SC=C1	REAL300000451038	0	32	-2.0	-138.08	308.38	4.38	-133.70
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451039	1	40	-2.0	-134.43	369.25	4.08	-130.35
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)OC2=CC=C(F)C=C12	REAL300000451040	0	37	-2.0	-124.93	340.84	6.95	-117.98
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CC(C(=O)[O-])=C1	REAL300000451041	0	34	-2.0	-129.39	316.85	6.06	-123.33
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)=CC(C(=O)[O-])=C1	REAL300000451042	0	39	-2.0	-148.77	348.60	6.91	-141.86
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C2=CC(Cl)=CC=C2S1	REAL300000451043	0	37	-2.0	-129.89	354.78	8.58	-121.31
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)=CC(C(=O)[O-])=C1	REAL300000451044	1	42	-2.0	-123.74	370.41	5.17	-118.57
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C=C(Br)S1	REAL300000451045	0	31	-2.0	-121.76	316.97	6.17	-115.59
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000451046	1	37	-2.0	-129.18	342.50	8.40	-120.78
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC(F)=C1F	REAL300000451047	1	37	-2.0	-113.66	352.72	6.41	-107.25
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)SC2=CC=CC(F)=C12	REAL300000451048	0	37	-2.0	-133.53	347.06	7.69	-125.84
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C#N)=C2)=CC(C(=O)[O-])=C1	REAL300000451049	1	32	-2.0	-117.98	329.21	6.67	-111.31
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)=CC(C(=O)[O-])=C1	REAL300000451050	0	36	-2.0	-126.87	341.13	7.05	-119.82
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451051	0	33	-2.0	-131.83	320.33	4.41	-127.42
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3)C=NC2=C1Cl	REAL300000451053	0	36	-2.0	-114.85	348.07	5.62	-109.23
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)=CC(C(=O)[O-])=C1	REAL300000451054	0	31	-2.0	-132.45	306.74	6.60	-125.85
CC1=CC([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)=CC(C(=O)[O-])=C1	REAL300000451055	1	33	-2.0	-119.72	335.36	5.58	-114.14
CC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=CC(C(=O)[O-])=C1	REAL300000451056	0	31	-2.0	-115.30	302.06	4.62	-110.68
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=CC(C(=O)[O-])=C1	REAL300000451057	0	31	-2.0	-129.44	307.43	4.49	-124.95
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451058	1	39	-2.0	-131.70	346.07	4.28	-127.42
CC1=CC(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451059	0	34	-2.0	-128.16	338.74	6.76	-121.40
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451059	1	33	-3.0	-185.25	336.25	6.76	-178.49
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=CC(C(=O)[O-])=C1	REAL300000451060	0	32	-2.0	-131.75	302.92	4.41	-127.34
CC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C=CC(C)=C2C)=CC(C(=O)[O-])=C1	REAL300000451061	0	39	-2.0	-141.48	337.39	8.49	-132.99
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3)S2)=CS1	REAL300000451062	0	37	-2.0	-127.07	366.53	6.23	-120.84
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=CC(C(=O)[O-])=C1	REAL300000451063	0	32	-2.0	-118.33	309.30	3.50	-114.83
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)S1	REAL300000451064	0	30	-2.0	-123.40	295.61	3.49	-119.91
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000451065	1	37	-2.0	-119.70	354.40	6.71	-112.99
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)=CC(C(=O)[O-])=C1	REAL300000451066	1	36	-2.0	-118.44	335.30	7.13	-111.31
CC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(C(=O)[O-])=C1	REAL300000451067	0	37	-2.0	-102.39	328.22	6.88	-95.51
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(C(=O)[O-])=C1	REAL300000451067	1	36	-3.0	-192.16	325.59	6.87	-185.29
CC1=CC([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000451069	1	38	-2.0	-147.71	351.69	3.54	-144.17
CC1=CC(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451070	0	37	-2.0	-103.27	342.87	6.88	-96.39
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC(C(=O)[O-])=C1	REAL300000451071	0	37	-2.0	-113.19	333.74	6.98	-106.21
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451072	0	37	-2.0	-132.29	345.98	6.77	-125.52
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)=CC(C(=O)[O-])=C1	REAL300000451074	0	32	-2.0	-125.24	316.38	6.35	-118.89
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C(C)N1	REAL300000451075	0	44	-2.0	-126.77	383.06	6.36	-120.41
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)=CC(C(=O)[O-])=C1	REAL300000451076	0	34	-2.0	-127.97	319.30	6.44	-121.53
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000451077	0	37	-2.0	-115.39	342.61	6.41	-108.98
CC1=CC(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451078	0	40	-2.0	-105.80	355.52	7.43	-98.37
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=CC(C(=O)[O-])=C1	REAL300000451079	1	37	-2.0	-139.32	344.82	8.49	-130.83
CC1=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000451080	0	37	-2.0	-126.22	352.20	3.21	-123.01
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451081	0	35	-3.0	-192.13	342.10	7.32	-184.81
CC1=CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451081	1	36	-2.0	-141.31	344.59	7.32	-133.99
CC1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=CC(C(=O)[O-])=C1	REAL300000451082	0	34	-2.0	-124.87	332.43	7.16	-117.71
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC(C(=O)[O-])=C1	REAL300000451084	0	33	-3.0	-186.39	327.31	6.36	-180.03
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451085	1	36	-2.0	-116.52	340.13	6.99	-109.53
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451086	0	37	-2.0	-133.33	349.04	7.57	-125.76
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451087	0	30	-2.0	-123.99	306.09	5.11	-118.88
CC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=CC(C(=O)[O-])=C1	REAL300000451088	0	37	-2.0	-134.80	332.70	6.04	-128.76
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=N1	REAL300000451089	0	36	-2.0	-117.86	337.83	4.50	-113.36
CC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451090	0	30	-2.0	-115.95	312.53	4.84	-111.11
CC1=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC(C(=O)[O-])=C1	REAL300000451091	0	40	-2.0	-106.04	352.49	7.58	-98.46
CC1=CC([N-]S(=O)(=O)C2=CC=C3C4=C(C=CC=C42)C(=O)N3C)=CC(C(=O)[O-])=C1	REAL300000451092	1	42	-2.0	-128.38	372.86	7.59	-120.79
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC(C(=O)[O-])=C1	REAL300000451093	0	36	-3.0	-199.59	340.86	6.93	-192.66
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC(C(=O)[O-])=C1	REAL300000451093	1	37	-2.0	-126.91	343.39	6.92	-119.99
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451094	0	36	-3.0	-196.92	347.30	7.37	-189.55
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451094	1	37	-2.0	-128.13	350.25	7.36	-120.77
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC(C(=O)[O-])=C1	REAL300000451095	0	36	-3.0	-201.33	340.58	6.92	-194.41
CC1=CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=CC(C(=O)[O-])=C1	REAL300000451096	0	31	-2.0	-114.60	314.33	6.14	-108.46
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451097	1	39	-2.0	-140.13	350.18	6.94	-133.19
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=N1	REAL300000451098	0	38	-2.0	-122.34	346.84	3.28	-119.06
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300000451099	0	36	-2.0	-130.44	337.40	6.50	-123.94
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)=CC(C(=O)[O-])=C1	REAL300000451100	0	31	-2.0	-123.98	309.97	6.44	-117.54
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2Br)=CC(C(=O)[O-])=C1	REAL300000451101	0	34	-2.0	-130.13	321.78	6.94	-123.19
CCC1=CC=C(S(=O)(=O)NC2=CC(C)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000451102	0	40	-2.0	-138.44	352.30	7.41	-131.03
CC1=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=CC(C(=O)[O-])=C1	REAL300000451103	0	42	-2.0	-124.65	364.25	4.20	-120.45
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)=CC(C(=O)[O-])=C1	REAL300000451106	0	35	-2.0	-136.99	324.33	6.46	-130.53
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451107	0	34	-2.0	-119.37	338.96	7.23	-112.14
CC1=CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)=CC(C(=O)[O-])=C1	REAL300000451108	0	37	-2.0	-115.68	338.82	6.14	-109.54
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=CC(C(=O)[O-])=C1	REAL300000451109	0	40	-2.0	-128.52	360.08	7.32	-121.20
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451110	0	37	-2.0	-135.11	334.58	6.41	-128.70
CC1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=CC(C(=O)[O-])=C1	REAL300000451111	0	39	-2.0	-122.63	345.12	3.41	-119.22
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451113	0	39	-2.0	-125.67	360.52	7.73	-117.94
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=CC(C(=O)[O-])=C1	REAL300000451114	0	34	-2.0	-134.69	312.90	6.38	-128.31
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=N1	REAL300000451115	1	37	-2.0	-120.44	336.12	3.29	-117.15
CC1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=CC(C(=O)[O-])=C1	REAL300000451116	0	38	-2.0	-138.38	332.87	5.70	-132.68
COC1=CC=C(S(=O)(=O)NC2=CC(C)=CC(C(=O)[O-])=C2)C=C1CC(=O)[O-]	REAL300000451117	0	41	-2.0	-105.37	368.49	6.36	-99.01
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000451118	1	38	-2.0	-129.27	342.16	5.40	-123.87
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451119	0	36	-2.0	-134.05	326.36	2.66	-131.39
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451120	0	34	-2.0	-130.95	318.95	6.81	-124.14
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C(C)O1	REAL300000451121	0	34	-2.0	-126.86	310.06	5.25	-121.61
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=CC(C(=O)[O-])=C1	REAL300000451122	0	37	-2.0	-132.64	333.34	3.34	-129.30
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300000451124	1	44	-2.0	-128.83	385.43	8.30	-120.53
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451125	1	40	-2.0	-123.99	370.14	7.32	-116.67
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451126	1	38	-2.0	-128.03	333.69	5.71	-122.32
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C(C(=O)OC)O1	REAL300000451127	0	40	-2.0	-122.89	364.08	6.08	-116.81
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000451129	0	34	-2.0	-129.10	319.31	6.03	-123.07
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=CC(C(=O)[O-])=C1	REAL300000451130	1	34	-2.0	-124.16	313.14	4.33	-119.83
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=CC(C(=O)[O-])=C1	REAL300000451131	0	39	-2.0	-147.01	340.89	7.48	-139.53
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=CC(C(=O)[O-])=C1	REAL300000451132	0	37	-2.0	-140.88	336.37	7.67	-133.21
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000451133	1	44	-2.0	-146.16	380.25	7.00	-139.16
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)=CC(C(=O)[O-])=C1	REAL300000451134	0	37	-2.0	-117.77	355.70	3.75	-114.02
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451135	0	37	-2.0	-132.42	338.72	7.13	-125.29
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000451136	0	33	-2.0	-112.77	319.84	6.36	-106.41
CC1=CC(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC(C(=O)[O-])=C1	REAL300000451137	0	37	-2.0	-100.03	344.85	7.36	-92.67
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC(C(=O)[O-])=C1	REAL300000451137	1	36	-3.0	-184.81	341.81	7.41	-177.40
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000451138	1	31	-2.0	-118.77	310.23	6.25	-112.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C(C)O1	REAL300000451139	0	37	-2.0	-122.65	344.92	5.23	-117.42
CC1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000451140	0	30	-2.0	-118.16	298.83	4.36	-113.80
CC1=CC(NS(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451141	0	37	-2.0	-101.27	349.26	7.18	-94.09
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451141	1	36	-3.0	-194.63	346.77	7.19	-187.44
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)N=C1C	REAL300000451142	0	37	-2.0	-137.75	332.63	5.47	-132.28
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000451143	0	34	-2.0	-129.50	324.99	7.04	-122.46
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000451144	0	34	-2.0	-130.46	321.63	6.90	-123.56
CCN1C=C(S(=O)(=O)NC2=CC(C)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000451145	0	38	-2.0	-104.26	346.04	6.44	-97.82
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000451145	1	37	-3.0	-196.05	343.57	6.45	-189.60
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451146	0	34	-2.0	-124.91	326.97	4.42	-120.49
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451147	0	43	-2.0	-127.27	365.39	6.25	-121.02
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CN1C	REAL300000451148	0	41	-2.0	-130.28	370.12	6.71	-123.57
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)=CC(C(=O)[O-])=C1	REAL300000451149	1	39	-2.0	-121.37	349.11	7.73	-113.64
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451150	0	31	-2.0	-133.39	303.16	6.46	-126.93
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451151	0	33	-2.0	-125.79	316.98	4.98	-120.81
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451152	0	36	-2.0	-127.12	336.14	5.86	-121.26
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)=CC(C(=O)[O-])=C1	REAL300000451153	0	38	-2.0	-128.34	352.15	6.86	-121.48
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000451154	1	35	-2.0	-124.34	342.29	7.13	-117.21
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)S1	REAL300000451155	0	33	-2.0	-123.05	317.10	4.25	-118.80
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)C=C12	REAL300000451156	0	38	-2.0	-115.22	348.32	3.39	-111.83
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)S1	REAL300000451157	0	33	-2.0	-121.74	326.38	6.05	-115.69
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CN=C1Cl	REAL300000451159	0	34	-2.0	-115.74	327.94	3.63	-112.11
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000451160	1	40	-2.0	-123.94	363.02	6.63	-117.31
CC1=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)=CC(C(=O)[O-])=C1	REAL300000451161	1	43	-2.0	-126.69	371.46	7.12	-119.57
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=CC(C(=O)[O-])=C1	REAL300000451162	0	33	-2.0	-115.65	322.59	4.97	-110.68
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451163	1	37	-2.0	-124.46	348.28	6.39	-118.07
CC1=CC(NS(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=CC(C(=O)[O-])=C1	REAL300000451164	0	46	-2.0	-109.68	380.46	8.56	-101.12
CC1=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=CC(C(=O)[O-])=C1	REAL300000451165	0	34	-2.0	-126.14	333.70	2.77	-123.37
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1	REAL300000451166	0	46	-2.0	-125.96	385.30	7.19	-118.77
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451168	0	32	-2.0	-120.04	320.97	6.62	-113.42
CC1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CC(C(=O)[O-])=C1	REAL300000451169	0	34	-2.0	-138.41	315.02	5.98	-132.43
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451170	0	36	-2.0	-123.45	337.04	4.53	-118.92
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451171	0	42	-2.0	-138.83	377.23	5.77	-133.06
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=CC(C(=O)[O-])=C1	REAL300000451172	0	28	-2.0	-120.70	291.47	4.39	-116.31
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C(C2=CC=CC=C2)S1	REAL300000451173	0	40	-2.0	-135.95	367.79	7.24	-128.71
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C(C2=CC=CC=C2)O1	REAL300000451174	0	40	-2.0	-134.80	361.42	4.76	-130.04
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)=CC(C(=O)[O-])=C1	REAL300000451175	1	39	-2.0	-128.33	346.41	7.65	-120.68
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451176	0	41	-2.0	-136.74	350.68	7.43	-129.31
CC1=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=CC(C(=O)[O-])=C1	REAL300000451177	0	31	-2.0	-124.85	308.16	6.07	-118.78
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451181	1	43	-2.0	-133.51	379.17	8.03	-125.48
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451182	0	31	-2.0	-118.42	322.26	6.78	-111.64
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000451183	0	31	-2.0	-120.87	316.06	5.89	-114.98
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C(OC)=C1	REAL300000451184	0	41	-2.0	-129.50	370.08	6.12	-123.38
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451185	1	34	-2.0	-135.32	321.26	6.59	-128.73
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=CC(C(=O)[O-])=C1	REAL300000451186	0	34	-2.0	-122.35	331.33	6.74	-115.61
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000451187	1	34	-2.0	-125.57	329.80	6.94	-118.63
CC1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=CC(C(=O)[O-])=C1	REAL300000451188	0	34	-2.0	-122.89	325.02	4.56	-118.33
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451189	1	35	-2.0	-136.62	323.17	6.73	-129.89
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(C)C)=CC(C(=O)[O-])=C1	REAL300000451190	0	42	-2.0	-151.74	370.73	5.51	-146.23
CC1=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451191	1	34	-2.0	-127.20	333.68	2.76	-124.44
CC1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1	REAL300000451193	0	39	-2.0	-120.63	356.55	6.96	-113.67
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)C)=CC(C(=O)[O-])=C1	REAL300000451194	1	40	-2.0	-133.51	341.10	7.67	-125.84
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C(C)=CS1	REAL300000451195	0	37	-2.0	-138.55	342.29	6.84	-131.71
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000451196	1	35	-2.0	-120.14	322.80	5.03	-115.11
CC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=CC(C(=O)[O-])=C1	REAL300000451197	0	30	-2.0	-134.09	299.78	6.07	-128.02
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451198	0	39	-2.0	-136.68	360.50	7.73	-128.95
CC1=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=CC(C(=O)[O-])=C1	REAL300000451199	1	36	-2.0	-121.22	331.45	4.80	-116.42
CC1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451200	0	30	-2.0	-117.50	308.26	5.43	-112.07
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000451202	1	39	-2.0	-129.97	354.29	3.89	-126.08
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451203	1	34	-2.0	-118.07	342.56	7.17	-110.90
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451204	0	42	-2.0	-134.97	361.09	4.64	-130.33
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000451205	1	37	-2.0	-114.39	350.61	6.49	-107.90
CC1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CC(C(=O)[O-])=C1	REAL300000451206	0	35	-2.0	-130.41	315.22	5.10	-125.31
CC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451207	0	32	-2.0	-124.62	320.98	6.63	-117.99
CC1=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=CC(C(=O)[O-])=C1	REAL300000451208	0	34	-2.0	-123.50	331.05	4.74	-118.76
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451209	1	37	-2.0	-129.17	317.30	7.39	-121.78
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451210	0	39	-2.0	-144.01	341.06	6.18	-137.83
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2F)=CC(C(=O)[O-])=C1	REAL300000451212	0	34	-2.0	-134.57	306.68	6.64	-127.93
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2C)=CC(C(=O)[O-])=C1	REAL300000451213	1	34	-2.0	-122.31	323.87	7.05	-115.26
CC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=CC(C(=O)[O-])=C1	REAL300000451214	0	35	-2.0	-141.72	325.46	5.73	-135.99
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1	REAL300000451215	0	44	-2.0	-126.36	377.28	7.13	-119.23
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)=CC(C(=O)[O-])=C1	REAL300000451216	0	31	-2.0	-124.48	313.88	6.36	-118.12
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)=CC(C(=O)[O-])=C1	REAL300000451217	0	39	-2.0	-146.31	344.96	6.85	-139.46
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)=CC(C(=O)[O-])=C1	REAL300000451219	1	35	-2.0	-131.63	338.33	2.96	-128.67
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=CC(C(=O)[O-])=C1	REAL300000451220	0	32	-2.0	-135.02	311.86	3.97	-131.05
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451221	0	34	-2.0	-124.14	311.66	3.14	-121.00
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)=CC(C(=O)[O-])=C1	REAL300000451222	0	31	-2.0	-128.77	313.18	6.34	-122.43
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1OC	REAL300000451223	0	41	-2.0	-123.41	369.16	6.38	-117.03
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451225	0	41	-2.0	-142.89	376.03	2.98	-139.91
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2C)OCO3)=CC(C(=O)[O-])=C1	REAL300000451226	1	37	-2.0	-125.30	328.58	5.10	-120.20
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451227	0	37	-2.0	-124.29	337.28	6.88	-117.41
CC1=CC(NS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451228	0	37	-2.0	-128.61	351.76	7.29	-121.32
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451228	1	36	-3.0	-191.41	349.29	7.30	-184.11
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300000451229	1	41	-2.0	-127.10	357.75	5.51	-121.59
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451230	0	40	-2.0	-143.74	354.19	7.99	-135.75
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451231	0	39	-2.0	-132.92	345.00	4.01	-128.91
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=CC(C(=O)[O-])=C1	REAL300000451232	0	37	-2.0	-137.87	348.30	7.22	-130.65
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)S1	REAL300000451234	0	34	-2.0	-130.39	332.06	3.16	-127.23
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)S1	REAL300000451234	1	33	-3.0	-189.70	328.77	2.03	-187.67
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1F	REAL300000451235	1	38	-2.0	-127.64	348.27	4.69	-122.95
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1OC	REAL300000451236	0	39	-2.0	-125.66	358.90	5.44	-120.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000451237	1	35	-2.0	-122.99	332.55	5.31	-117.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000451238	1	34	-2.0	-116.24	331.40	6.72	-109.52
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451239	0	42	-3.0	-196.34	364.99	8.36	-187.98
CC1=CC(NS(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451239	1	43	-2.0	-133.19	367.05	7.51	-125.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)=CC(C(=O)[O-])=C1	REAL300000451240	0	36	-2.0	-127.95	343.88	1.26	-126.69
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=CC(C(=O)[O-])=C1	REAL300000451241	1	35	-2.0	-129.43	319.93	6.94	-122.49
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1C	REAL300000451242	1	42	-2.0	-129.34	378.95	2.63	-126.71
CC1=CC([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=CC(C(=O)[O-])=C1	REAL300000451243	1	35	-2.0	-135.51	329.29	6.83	-128.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451244	0	31	-2.0	-121.44	316.94	6.74	-114.70
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C(N)=NO1	REAL300000451246	0	32	-2.0	-115.30	293.52	3.07	-112.23
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1)OCC(=O)N2	REAL300000451247	0	41	-2.0	-132.32	366.05	2.69	-129.63
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451248	0	31	-2.0	-118.90	317.09	7.05	-111.85
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451249	0	35	-2.0	-132.91	332.08	5.98	-126.93
CC1=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451250	0	32	-2.0	-122.42	314.59	4.45	-117.97
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451253	1	38	-2.0	-132.30	332.05	5.74	-126.56
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Br)=C2)=CC(C(=O)[O-])=C1	REAL300000451254	1	32	-2.0	-116.69	327.58	6.57	-110.12
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)=CC(C(=O)[O-])=C1	REAL300000451256	0	33	-2.0	-118.75	336.98	6.91	-111.84
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=CC(C(=O)[O-])=C1	REAL300000451257	0	29	-2.0	-117.88	299.59	5.22	-112.66
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)=CC(C(=O)[O-])=C1	REAL300000451258	0	33	-2.0	-113.71	333.25	6.78	-106.93
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2)=CC(C(=O)[O-])=C1	REAL300000451259	0	33	-2.0	-124.99	303.69	4.48	-120.51
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=CC(C(=O)[O-])=C1	REAL300000451260	0	36	-2.0	-127.57	328.28	6.04	-121.53
COC1=CC(Cl)=C(S(=O)(=O)NC2=CC(C)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000451261	0	38	-2.0	-133.46	358.55	6.84	-126.62
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000451261	1	37	-3.0	-200.42	355.87	6.86	-193.56
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000451262	0	37	-2.0	-125.58	347.34	6.40	-119.18
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1F	REAL300000451263	0	37	-2.0	-121.03	346.40	6.36	-114.67
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451264	0	39	-2.0	-139.83	363.23	7.51	-132.32
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)=CC(C(=O)[O-])=C1	REAL300000451265	1	35	-2.0	-120.12	327.05	6.56	-113.56
CC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000451266	0	30	-2.0	-111.60	304.82	4.35	-107.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000451267	0	35	-2.0	-129.67	322.07	5.03	-124.64
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000451268	0	39	-2.0	-141.39	347.88	8.85	-132.54
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300000451269	1	37	-2.0	-128.99	348.07	7.46	-121.53
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000451271	0	35	-2.0	-134.67	334.83	6.54	-128.13
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300000451272	1	34	-2.0	-126.52	321.27	6.60	-119.92
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=CC(C(=O)[O-])=C1	REAL300000451273	1	41	-2.0	-134.47	361.29	9.08	-125.39
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)N(C)N=C1	REAL300000451275	0	34	-2.0	-119.28	303.97	4.15	-115.13
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451276	0	40	-2.0	-134.12	369.21	7.31	-126.81
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CN1C	REAL300000451277	0	43	-2.0	-127.62	389.10	6.88	-120.74
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=CC(C(=O)[O-])=C1	REAL300000451279	0	29	-2.0	-117.97	291.02	4.21	-113.76
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C(F)C=C1C	REAL300000451280	0	43	-2.0	-127.85	385.23	7.86	-119.99
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451281	1	45	-2.0	-139.21	398.62	3.87	-135.34
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451282	0	42	-2.0	-139.55	370.42	5.18	-134.37
CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(C(=O)[O-])=C1	REAL300000451283	0	37	-2.0	-107.41	334.04	6.77	-100.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=N1	REAL300000451284	1	34	-2.0	-120.37	314.26	2.35	-118.02
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=CC(C(=O)[O-])=C1	REAL300000451285	0	31	-2.0	-128.01	309.32	6.25	-121.76
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451287	1	42	-2.0	-131.61	365.22	6.78	-124.83
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451288	0	40	-2.0	-130.93	364.61	8.45	-122.48
CC1=CC([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451289	0	40	-2.0	-130.53	360.44	8.15	-122.38
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000451290	0	34	-2.0	-126.08	329.68	7.58	-118.50
CC1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300000451291	0	34	-2.0	-130.81	323.64	7.03	-123.78
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451292	1	43	-2.0	-136.74	385.91	8.03	-128.71
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451293	0	37	-2.0	-141.20	347.78	7.71	-133.49
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)N(C)N=C1	REAL300000451294	0	40	-2.0	-127.26	358.18	5.67	-121.59
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451295	0	44	-2.0	-139.79	391.89	7.04	-132.75
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000451296	1	43	-2.0	-125.92	379.76	7.78	-118.14
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=CC(C(=O)[O-])=C1	REAL300000451297	0	42	-2.0	-142.75	364.82	6.89	-135.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)=CC(C(=O)[O-])=C1	REAL300000451298	1	35	-2.0	-115.43	343.75	6.85	-108.58
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=CC(C(=O)[O-])=C1	REAL300000451299	0	34	-2.0	-133.85	313.69	4.30	-129.55
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2C#N)=CC(C(=O)[O-])=C1	REAL300000451300	0	32	-2.0	-130.78	324.88	6.46	-124.32
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)=CC(C(=O)[O-])=C1	REAL300000451301	1	37	-2.0	-120.40	341.64	7.45	-112.95
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451302	1	38	-2.0	-131.45	338.44	5.89	-125.56
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=CC(C(=O)[O-])=C1	REAL300000451303	0	31	-2.0	-128.88	309.44	6.53	-122.35
CC1=CC=C2C=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3)C=CC2=C1	REAL300000451305	1	40	-2.0	-132.00	354.38	8.59	-123.41
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=CC(C(=O)[O-])=C1	REAL300000451306	0	28	-2.0	-129.19	295.07	5.12	-124.07
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451307	1	40	-2.0	-125.66	371.33	7.53	-118.13
CC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000451308	0	31	-2.0	-126.97	300.65	5.33	-121.64
CC1=CC([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300000451309	1	44	-2.0	-133.97	383.10	6.03	-127.94
CC1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451310	0	28	-2.0	-121.01	285.37	2.47	-118.54
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=CC(C(=O)[O-])=C1	REAL300000451311	0	36	-2.0	-136.91	341.60	6.73	-130.18
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=CC(C(=O)[O-])=C1	REAL300000451312	0	30	-2.0	-119.61	293.98	3.79	-115.82
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451313	1	38	-2.0	-123.81	355.32	5.96	-117.85
CC1=CC([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=CC(C(=O)[O-])=C1	REAL300000451314	0	40	-2.0	-121.90	351.53	4.72	-117.18
CC1=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=CC(C(=O)[O-])=C1	REAL300000451315	1	40	-2.0	-121.01	356.25	4.22	-116.79
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000451316	0	38	-3.0	-189.68	358.81	8.42	-181.26
CC1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=CC(C(=O)[O-])=C1	REAL300000451319	0	34	-2.0	-123.07	323.26	6.13	-116.94
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=CC(C(=O)[O-])=C1	REAL300000451320	0	34	-2.0	-130.11	338.38	7.72	-122.39
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451321	0	36	-2.0	-137.16	328.18	5.26	-131.90
CC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000451322	0	30	-2.0	-119.34	295.58	3.97	-115.37
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000451323	0	33	-2.0	-122.68	330.75	7.66	-115.02
CC1=CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=CC(C(=O)[O-])=C1	REAL300000451325	0	35	-2.0	-100.87	335.11	5.14	-95.73
CC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=CC(C(=O)[O-])=C1	REAL300000451325	1	35	-2.0	-127.36	335.92	4.38	-122.98
CC1=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300000451326	0	37	-2.0	-121.23	343.01	7.06	-114.17
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451327	0	33	-2.0	-116.03	335.87	5.46	-110.57
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451330	1	40	-2.0	-124.47	380.46	7.76	-116.71
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC(C(=O)[O-])=C1	REAL300000451331	0	28	-2.0	-132.68	285.37	4.71	-127.97
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)=CC3=C2)=CC(C(=O)[O-])=C1	REAL300000451332	1	40	-2.0	-123.73	358.59	5.42	-118.31
CC1=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=CC(C(=O)[O-])=C1	REAL300000451333	0	37	-2.0	-141.15	347.91	4.10	-137.05
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000451334	0	34	-2.0	-124.56	325.72	4.52	-120.04
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=CC(C(=O)[O-])=C1	REAL300000451335	1	40	-2.0	-127.84	351.92	7.27	-120.57
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000451336	1	32	-2.0	-116.60	313.79	6.10	-110.50
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C([N+](=O)[O-])C=C2F)=CC(C(=O)[O-])=C1	REAL300000451340	0	36	-2.0	-117.97	336.79	6.92	-111.05
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC(C(=O)[O-])=C1	REAL300000451341	0	37	-2.0	-138.53	338.30	7.01	-131.52
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=CC(C(=O)[O-])=C1	REAL300000451342	0	32	-2.0	-123.84	319.97	4.96	-118.88
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000451343	0	35	-3.0	-204.28	339.29	8.08	-196.20
CC1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)=CC(C(=O)[O-])=C1	REAL300000451344	0	35	-2.0	-126.54	338.39	5.54	-121.00
CC1=CC([N-]S(=O)(=O)C2=CC3=CC(C)=C(Cl)N=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000451345	1	39	-2.0	-123.52	363.57	7.05	-116.47
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C(F)C=C1C	REAL300000451347	0	40	-2.0	-127.43	363.38	6.93	-120.50
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=CC(C(=O)[O-])=C1	REAL300000451348	0	31	-2.0	-118.27	319.66	5.86	-112.41
CC1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=CC(C(=O)[O-])=C1	REAL300000451349	0	36	-2.0	-133.60	324.08	2.58	-131.02
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)S1	REAL300000451350	0	34	-2.0	-131.36	319.70	6.11	-125.25
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CN=C1C	REAL300000451351	0	39	-2.0	-118.62	353.34	5.01	-113.61
CC1=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451352	0	32	-2.0	-115.18	310.46	4.53	-110.65
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000451353	1	43	-2.0	-130.30	390.77	4.89	-125.41
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)=CC(C(=O)[O-])=C1	REAL300000451354	0	33	-2.0	-117.30	314.64	5.05	-112.25
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C(Br)N1C	REAL300000451355	0	34	-2.0	-135.31	327.70	5.12	-130.19
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)=CC(C(=O)[O-])=C1	REAL300000451356	1	37	-2.0	-120.47	341.51	7.17	-113.30
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451357	1	40	-2.0	-136.98	364.04	7.10	-129.88
CC1=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=CC(C(=O)[O-])=C1	REAL300000451358	1	33	-2.0	-116.85	326.84	5.54	-111.31
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C=NN1C	REAL300000451362	0	34	-2.0	-126.44	307.74	3.91	-122.53
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000451363	1	35	-2.0	-129.48	318.18	6.76	-122.72
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451364	1	44	-2.0	-139.92	381.04	6.53	-133.39
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1	REAL300000451365	0	34	-2.0	-124.95	310.46	4.02	-120.93
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451366	1	38	-2.0	-126.35	358.90	5.89	-120.46
CC1=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=CC(C(=O)[O-])=C1	REAL300000451367	0	31	-2.0	-117.02	302.94	4.26	-112.76
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)OC(C)C)=C2)=CC(C(=O)[O-])=C1	REAL300000451368	1	46	-2.0	-126.61	400.03	8.49	-118.12
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=CC(C(=O)[O-])=C1	REAL300000451370	1	36	-2.0	-125.16	333.52	2.87	-122.29
CC1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000451371	0	31	-2.0	-121.32	302.76	3.20	-118.12
CC1=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300000451372	0	37	-2.0	-123.17	337.75	5.39	-117.78
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451373	1	44	-2.0	-125.89	396.95	6.04	-119.85
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C(N(C)C)C=CC=C23)=CC(C(=O)[O-])=C1	REAL300000451374	1	45	-2.0	-134.37	381.55	7.83	-126.54
CC1=CC([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)=CC(C(=O)[O-])=C1	REAL300000451376	1	33	-2.0	-125.03	335.27	5.59	-119.44
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000451377	0	39	-2.0	-132.11	360.83	5.33	-126.78
CC1=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=CC(C(=O)[O-])=C1	REAL300000451378	0	39	-2.0	-115.66	358.23	4.23	-111.43
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000451379	1	38	-2.0	-134.21	343.07	5.41	-128.80
CC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=CC(C(=O)[O-])=C1	REAL300000451380	0	34	-2.0	-123.71	324.29	3.24	-120.47
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451381	1	44	-2.0	-130.00	381.57	6.65	-123.35
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000451382	1	35	-2.0	-121.13	332.61	5.52	-115.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)=CC(C(=O)[O-])=C1	REAL300000451383	0	35	-2.0	-138.59	338.68	2.31	-136.28
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(C(=O)[O-])=C1	REAL300000451384	0	33	-3.0	-200.38	319.21	6.27	-194.11
CC1=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=CC(C(=O)[O-])=C1	REAL300000451385	0	28	-2.0	-130.99	286.45	3.67	-127.32
CC1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=CC(C(=O)[O-])=C1	REAL300000451386	0	33	-2.0	-140.15	318.29	5.09	-135.06
CC1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=CC(C(=O)[O-])=C1	REAL300000451387	1	36	-2.0	-131.40	322.91	5.51	-125.89
CC1=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000451389	0	37	-2.0	-137.05	337.60	7.98	-129.07
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=CC(C(=O)[O-])=C1	REAL300000451390	0	34	-2.0	-130.96	327.25	4.74	-126.22
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451391	0	37	-2.0	-131.53	355.47	7.18	-124.35
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451393	0	34	-2.0	-129.95	314.21	7.17	-122.78
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300000451394	0	35	-2.0	-126.53	331.51	5.79	-120.74
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CC(C(=O)[O-])=C1	REAL300000451395	0	36	-2.0	-139.93	323.39	5.49	-134.44
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1F	REAL300000451396	1	40	-2.0	-131.43	369.50	7.15	-124.28
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C2=CC=CC(C)=C2S1	REAL300000451397	0	40	-2.0	-131.84	358.16	8.67	-123.17
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300000451398	0	35	-2.0	-126.55	341.83	6.24	-120.31
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)=CC(C(=O)[O-])=C1	REAL300000451404	0	34	-2.0	-136.26	317.01	6.62	-129.64
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451406	0	30	-2.0	-118.46	312.13	4.86	-113.60
CC1=CC([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)=CC(C(=O)[O-])=C1	REAL300000451407	0	31	-2.0	-121.19	310.65	3.82	-117.37
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=CC(C(=O)[O-])=C1	REAL300000451408	1	36	-2.0	-126.68	330.94	4.12	-122.56
CC1=CC(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451410	0	37	-2.0	-127.34	342.95	6.90	-120.44
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451410	1	36	-3.0	-189.01	340.49	6.91	-182.10
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451412	0	35	-2.0	-133.29	321.75	5.52	-127.77
CC1=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=CC(C(=O)[O-])=C1	REAL300000451413	1	34	-2.0	-116.83	326.68	4.77	-112.06
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000451414	1	39	-2.0	-126.09	349.51	7.51	-118.58
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451415	0	47	-2.0	-139.67	391.55	7.76	-131.91
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000451417	0	34	-2.0	-116.65	330.34	2.90	-113.75
CC1=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451418	1	35	-2.0	-122.83	336.83	3.81	-119.02
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)=CC(C(=O)[O-])=C1	REAL300000451419	1	34	-2.0	-122.73	322.55	6.77	-115.96
CC1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000451420	1	37	-2.0	-138.40	335.20	6.66	-131.74
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3)C=C2)=N1	REAL300000451421	1	40	-2.0	-126.64	373.33	7.14	-119.50
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451422	0	40	-2.0	-135.29	367.64	7.02	-128.27
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C([N+](=O)[O-])S1	REAL300000451423	0	33	-2.0	-134.04	321.67	6.87	-127.17
CC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000451425	0	33	-2.0	-116.56	325.57	5.66	-110.90
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=CC(C(=O)[O-])=C1	REAL300000451426	1	34	-2.0	-121.90	329.10	3.86	-118.04
CC1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC(C(=O)[O-])=C1	REAL300000451427	0	30	-2.0	-129.23	287.60	3.84	-125.39
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC(C(=O)[O-])=C1	REAL300000451430	0	30	-2.0	-116.25	288.50	3.82	-112.43
CC1=CC([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=CC(C(=O)[O-])=C1	REAL300000451432	0	33	-2.0	-125.56	337.67	5.65	-119.91
CC1=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=CC(C(=O)[O-])=C1	REAL300000451433	0	29	-2.0	-130.90	297.50	5.06	-125.84
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451434	0	38	-2.0	-130.73	354.85	7.41	-123.32
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000451437	1	31	-2.0	-118.22	309.67	6.23	-111.99
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=CC(C(=O)[O-])=C1	REAL300000451438	0	40	-2.0	-136.23	348.79	6.02	-130.21
CC1=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=CC(C(=O)[O-])=C1	REAL300000451439	1	38	-2.0	-133.81	352.20	3.53	-130.28
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=CC(C(=O)[O-])=C1	REAL300000451440	0	39	-2.0	-140.30	339.27	6.87	-133.43
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1	REAL300000451441	0	41	-2.0	-126.22	360.56	4.63	-121.59
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000451442	0	40	-2.0	-125.01	369.20	7.32	-117.69
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)S2)C1	REAL300000451447	0	42	-2.0	-128.46	377.41	6.14	-122.32
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000451448	1	46	-2.0	-132.54	396.96	8.02	-124.52
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)=CC(C(=O)[O-])=C1	REAL300000451450	1	38	-2.0	-139.93	343.02	3.11	-136.82
CC1=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)=CC(C(=O)[O-])=C1	REAL300000451453	1	43	-2.0	-127.38	371.15	7.13	-120.25
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3)=C2)=N1	REAL300000451454	1	43	-2.0	-131.98	380.15	5.57	-126.41
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)N(C)N=C1	REAL300000451455	0	37	-2.0	-126.77	336.32	4.74	-122.03
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1C	REAL300000451456	1	42	-2.0	-130.61	371.82	4.75	-125.86
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2C)=CC(C(=O)[O-])=C1	REAL300000451457	0	36	-2.0	-114.03	342.83	7.51	-106.52
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000451458	1	39	-2.0	-123.41	368.07	4.51	-118.90
CC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000451461	0	38	-2.0	-135.43	353.57	7.45	-127.98
COC(=O)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)C=CC=C12	REAL300000451462	1	43	-2.0	-130.13	378.21	8.49	-121.64
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)N1C	REAL300000451463	0	34	-2.0	-123.78	306.26	4.71	-119.07
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1F	REAL300000451464	0	37	-2.0	-127.81	351.91	6.41	-121.40
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451465	1	44	-2.0	-131.99	377.11	7.32	-124.67
CC1=CC([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300000451468	0	44	-2.0	-129.38	390.50	7.95	-121.43
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000451469	0	36	-2.0	-133.00	332.31	7.75	-125.25
CCC1=NC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CN1CC1CC1	REAL300000451470	0	44	-2.0	-138.90	381.20	7.46	-131.44
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)O1	REAL300000451471	0	37	-2.0	-120.95	344.52	5.04	-115.91
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)C=C2C1	REAL300000451472	1	42	-2.0	-134.70	372.07	6.23	-128.47
CC1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=CC(C(=O)[O-])=C1	REAL300000451473	0	34	-2.0	-124.10	326.83	5.16	-118.94
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)=CC(C(=O)[O-])=C1	REAL300000451475	1	39	-2.0	-122.10	351.15	7.98	-114.12
CC1=CC(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451476	0	40	-2.0	-146.12	359.06	8.35	-137.77
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451476	1	39	-3.0	-207.82	356.59	8.35	-199.47
CC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=CC(C(=O)[O-])=C1	REAL300000451477	0	34	-2.0	-111.51	328.69	4.29	-107.22
CC1=CC([N-]S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)=CC(C(=O)[O-])=C1	REAL300000451478	1	42	-2.0	-129.84	387.67	9.77	-120.07
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=CC(C(=O)[O-])=C1	REAL300000451479	0	30	-2.0	-120.73	304.44	4.28	-116.45
CC1=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=CC(C(=O)[O-])=C1	REAL300000451480	1	41	-2.0	-141.75	353.18	9.07	-132.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)=CC(C(=O)[O-])=C1	REAL300000451482	0	34	-2.0	-129.67	319.17	6.45	-123.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)=CC(C(=O)[O-])=C1	REAL300000451483	0	30	-2.0	-120.96	309.03	4.35	-116.61
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)OC=C1	REAL300000451484	0	34	-2.0	-139.91	323.35	4.69	-135.22
CC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000451486	0	33	-2.0	-140.46	314.15	4.65	-135.81
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C(C)=N1	REAL300000451487	0	43	-2.0	-124.85	375.01	6.43	-118.42
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C(OC)C=C1F	REAL300000451488	0	41	-2.0	-125.97	374.53	6.16	-119.81
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(C(=O)[O-])=C1	REAL300000451490	0	32	-3.0	-196.93	312.53	4.28	-192.65
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451491	0	35	-2.0	-128.74	319.85	5.81	-122.93
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300000451493	1	43	-2.0	-125.28	365.31	7.92	-117.36
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=CC(C(=O)[O-])=C1	REAL300000451494	1	32	-2.0	-117.98	314.32	6.13	-111.85
CC1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=CC(C(=O)[O-])=C1	REAL300000451496	0	34	-2.0	-121.12	320.21	4.29	-116.83
CC1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=CC(C(=O)[O-])=C1	REAL300000451497	0	33	-2.0	-140.11	310.26	4.85	-135.26
CC1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=CC(C(=O)[O-])=C1	REAL300000451497	1	33	-2.0	-124.11	310.36	4.71	-119.40
CC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300000451498	0	35	-2.0	-135.54	320.82	5.64	-129.90
CC1=CC([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=CC(C(=O)[O-])=C1	REAL300000451499	0	41	-2.0	-123.52	348.06	5.79	-117.73
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=CC(C(=O)[O-])=C1	REAL300000451500	0	43	-2.0	-124.05	355.49	6.29	-117.76
CC1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=CC(C(=O)[O-])=C1	REAL300000451502	0	41	-2.0	-124.49	354.51	6.02	-118.47
CC1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)=CC(C(=O)[O-])=C1	REAL300000451503	0	34	-2.0	-116.35	320.40	4.62	-111.73
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2Br)=CC(C(=O)[O-])=C1	REAL300000451504	0	31	-2.0	-123.42	312.28	3.87	-119.55
CC1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=CC(C(=O)[O-])=C1	REAL300000451508	0	32	-2.0	-102.26	302.47	4.20	-98.06
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=CC(C(=O)[O-])=C1	REAL300000451508	1	32	-2.0	-128.38	303.27	3.43	-124.95
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451510	0	34	-2.0	-141.75	318.08	3.33	-138.42
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451511	0	37	-2.0	-125.29	329.94	4.82	-120.47
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1F	REAL300000451512	1	36	-2.0	-126.86	334.38	6.24	-120.62
CC1=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=CC(C(=O)[O-])=C1	REAL300000451513	0	31	-2.0	-118.46	292.30	3.02	-115.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C(C#N)=C1	REAL300000451514	0	35	-2.0	-134.59	326.59	6.61	-127.98
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)=CC(C(=O)[O-])=C1	REAL300000451515	0	35	-2.0	-137.00	318.75	6.91	-130.09
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451516	1	34	-2.0	-123.11	326.30	6.62	-116.49
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=CC(C(=O)[O-])=C1	REAL300000451520	1	38	-2.0	-132.49	350.84	7.63	-124.86
COC1=NSC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451522	0	31	-2.0	-115.97	306.33	1.47	-114.50
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451523	0	45	-2.0	-147.89	387.38	5.32	-142.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451527	0	37	-3.0	-186.93	343.75	6.03	-180.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451527	1	38	-2.0	-110.18	346.57	5.98	-104.20
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C=C(C(N)=O)O1	REAL300000451528	0	35	-2.0	-127.16	326.59	1.28	-125.88
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451529	1	40	-2.0	-130.14	338.74	8.17	-121.97
CC1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=CC(C(=O)[O-])=C1	REAL300000451530	0	31	-2.0	-121.88	307.32	5.59	-116.29
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451532	0	30	-3.0	-181.71	315.70	5.21	-176.50
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1	REAL300000451533	0	47	-2.0	-126.06	400.61	8.47	-117.59
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=CC(C(=O)[O-])=C1	REAL300000451534	1	36	-2.0	-137.57	323.33	6.17	-131.40
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451535	0	38	-2.0	-128.25	348.51	5.86	-122.39
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=CC(C(=O)[O-])=C1	REAL300000451536	0	32	-2.0	-129.19	312.92	6.09	-123.10
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451537	0	34	-2.0	-115.96	341.65	4.94	-111.02
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC(C)(C)C3=C2)=CC(C(=O)[O-])=C1	REAL300000451538	1	45	-2.0	-126.74	382.64	5.74	-121.00
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)C=C21	REAL300000451539	1	45	-2.0	-152.67	387.92	7.61	-145.06
CC1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=CC(C(=O)[O-])=C1	REAL300000451540	0	38	-2.0	-124.50	336.98	5.34	-119.16
CC1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=CC(C(=O)[O-])=C1	REAL300000451541	0	38	-2.0	-121.45	334.38	5.54	-115.91
CC1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=CC(C(=O)[O-])=C1	REAL300000451542	0	41	-2.0	-121.24	356.30	6.28	-114.96
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000451543	0	43	-2.0	-128.64	377.89	8.50	-120.14
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451544	0	44	-2.0	-141.60	391.88	7.05	-134.55
CC1=CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC(C(=O)[O-])=C1	REAL300000451545	0	32	-2.0	-97.93	328.73	5.27	-92.66
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC(C(=O)[O-])=C1	REAL300000451545	1	31	-3.0	-208.61	326.05	5.28	-203.33
CC1=CC([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000451546	0	36	-2.0	-131.82	338.76	4.69	-127.13
CC1=CC([N-]S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000451546	1	35	-3.0	-222.20	335.53	5.63	-216.57
CC1=CC([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=CC(C(=O)[O-])=C1	REAL300000451547	0	42	-2.0	-134.11	362.14	3.67	-130.44
CC1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=CC(C(=O)[O-])=C1	REAL300000451548	0	37	-2.0	-126.35	353.92	6.58	-119.77
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=CC(C(=O)[O-])=C1	REAL300000451549	1	37	-2.0	-125.23	337.80	2.90	-122.33
CC1=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=CC(C(=O)[O-])=C1	REAL300000451550	0	28	-2.0	-126.00	291.19	4.26	-121.74
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1F	REAL300000451551	1	35	-2.0	-115.67	332.96	5.22	-110.45
CC1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=CC(C(=O)[O-])=C1	REAL300000451552	0	38	-2.0	-126.89	330.02	5.73	-121.16
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1F	REAL300000451553	0	35	-2.0	-125.53	328.29	5.11	-120.42
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)=CC(C(=O)[O-])=C1	REAL300000451555	0	41	-2.0	-135.08	361.54	7.07	-128.01
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1	REAL300000451556	0	34	-2.0	-124.08	310.67	6.39	-117.69
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=CC(C(=O)[O-])=C1	REAL300000451557	0	39	-2.0	-141.37	344.40	6.24	-135.13
CC1=CC([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=CC(C(=O)[O-])=C1	REAL300000451558	0	39	-2.0	-124.25	355.75	5.32	-118.93
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000451559	1	39	-2.0	-130.52	355.30	7.89	-122.63
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451560	0	35	-2.0	-131.98	327.06	6.28	-125.70
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=CC(C(=O)[O-])=C1	REAL300000451561	0	37	-2.0	-134.18	340.77	6.29	-127.89
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)C=C21	REAL300000451562	1	45	-2.0	-127.04	384.23	7.15	-119.89
CC1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451563	0	28	-2.0	-125.13	292.56	5.11	-120.02
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=NN2C)=CC(C(=O)[O-])=C1	REAL300000451564	0	31	-2.0	-113.50	309.04	3.79	-109.71
CC1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451565	0	33	-2.0	-116.88	320.98	4.83	-112.05
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1	REAL300000451566	0	36	-2.0	-142.23	327.77	5.28	-136.95
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451567	0	33	-2.0	-112.24	302.31	3.00	-109.24
CC1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000451569	1	32	-2.0	-115.44	301.97	4.45	-110.99
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=CC(C(=O)[O-])=C1	REAL300000451570	0	34	-2.0	-130.25	325.94	7.09	-123.16
CC1=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=CC(C(=O)[O-])=C1	REAL300000451571	0	34	-2.0	-143.27	332.00	5.37	-137.90
CC1=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=CC(C(=O)[O-])=C1	REAL300000451572	0	38	-2.0	-119.76	339.02	5.39	-114.37
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1OC	REAL300000451574	0	39	-2.0	-134.20	342.84	5.59	-128.61
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000451575	1	40	-2.0	-133.31	355.41	2.89	-130.42
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C#N)=C2)=CC(C(=O)[O-])=C1	REAL300000451576	1	32	-2.0	-117.04	327.60	6.57	-110.47
CC1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300000451577	0	34	-2.0	-130.02	316.86	5.95	-124.07
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1OC	REAL300000451578	0	39	-2.0	-135.88	346.56	6.00	-129.88
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300000451579	0	44	-2.0	-129.35	375.87	6.58	-122.77
CC1=CC([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000451580	0	35	-2.0	-133.19	337.95	7.61	-125.58
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=CC(C(=O)[O-])=C1	REAL300000451581	0	38	-2.0	-128.35	342.38	5.59	-122.76
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=CC(C(=O)[O-])=C1	REAL300000451583	0	34	-2.0	-136.32	316.52	4.88	-131.44
CC1=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=CC(C(=O)[O-])=C1	REAL300000451584	0	36	-2.0	-145.67	331.63	4.07	-141.60
CC1=CC([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=CC(C(=O)[O-])=C1	REAL300000451586	0	38	-2.0	-130.71	328.03	7.59	-123.12
CC1=CC([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)=CC(C(=O)[O-])=C1	REAL300000451587	1	35	-2.0	-127.16	315.11	3.37	-123.79
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451588	0	31	-2.0	-123.99	304.40	1.53	-122.46
CC1=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=CC(C(=O)[O-])=C1	REAL300000451591	1	34	-2.0	-126.01	320.81	6.05	-119.96
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=CC(C(=O)[O-])=C1	REAL300000451592	0	41	-2.0	-128.64	358.60	6.08	-122.56
CC1=CC([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)=CC(C(=O)[O-])=C1	REAL300000451593	1	49	-2.0	-135.30	401.32	9.59	-125.71
CC1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=CC(C(=O)[O-])=C1	REAL300000451594	0	28	-2.0	-125.06	292.92	5.21	-119.85
CC1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=CC(C(=O)[O-])=C1	REAL300000451595	0	41	-2.0	-124.75	361.08	6.31	-118.44
CC1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=CC(C(=O)[O-])=C1	REAL300000451596	0	35	-2.0	-132.72	323.83	6.87	-125.85
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)=CC(C(=O)[O-])=C1	REAL300000451597	0	42	-2.0	-136.25	385.60	8.49	-127.76
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)=CC(C(=O)[O-])=C1	REAL300000451598	1	44	-2.0	-138.22	376.89	4.08	-134.14
COC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000451599	0	40	-2.0	-156.26	352.54	6.87	-149.39
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451600	1	40	-2.0	-131.17	351.47	7.87	-123.30
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451601	0	37	-2.0	-116.90	343.36	4.01	-112.89
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=CC(C(=O)[O-])=C1	REAL300000451602	0	32	-2.0	-130.27	311.61	6.01	-124.26
CC1=CC([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=CC(C(=O)[O-])=C1	REAL300000451603	0	38	-2.0	-123.98	331.76	5.25	-118.73
CC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451604	0	35	-2.0	-112.60	343.53	7.00	-105.60
COC(=O)C1=CC2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)C=C2C=C1	REAL300000451606	1	43	-2.0	-127.57	387.77	8.57	-119.00
CC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=CC(C(=O)[O-])=C1	REAL300000451608	0	40	-2.0	-118.22	334.12	5.56	-112.66
CC1=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=CC(C(=O)[O-])=C1	REAL300000451609	0	40	-2.0	-125.29	351.60	5.39	-119.90
CC1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=CC(C(=O)[O-])=C1	REAL300000451610	0	38	-2.0	-125.27	335.67	4.76	-120.51
CC1=CC([N-]S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)=CC(C(=O)[O-])=C1	REAL300000451611	0	36	-2.0	-116.21	338.02	5.49	-110.72
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=CC(C(=O)[O-])=C1	REAL300000451612	0	42	-2.0	-124.84	361.35	6.48	-118.36
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451613	0	33	-2.0	-109.25	326.11	6.41	-102.84
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451614	1	34	-2.0	-117.77	332.23	6.73	-111.04
CC1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=CC(C(=O)[O-])=C1	REAL300000451615	1	34	-2.0	-128.29	315.08	6.49	-121.80
CC1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=CC(C(=O)[O-])=C1	REAL300000451616	0	31	-2.0	-126.08	308.65	6.04	-120.04
CC1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451617	0	31	-2.0	-118.80	318.83	5.77	-113.03
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000451618	0	34	-2.0	-119.08	309.26	3.88	-115.20
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000451620	1	34	-2.0	-116.56	338.98	7.08	-109.48
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C)=CC(C(=O)[O-])=C1	REAL300000451621	1	37	-2.0	-130.91	319.58	6.98	-123.93
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=CC(C(=O)[O-])=C1	REAL300000451622	0	34	-2.0	-139.25	308.07	6.97	-132.28
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451623	1	42	-2.0	-139.51	371.66	7.70	-131.81
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)=CC(C(=O)[O-])=C1	REAL300000451625	1	41	-2.0	-131.31	367.33	7.36	-123.95
CC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300000451627	0	36	-2.0	-125.66	345.86	6.15	-119.51
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000451628	1	40	-2.0	-128.69	365.52	7.33	-121.36
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451629	0	32	-2.0	-125.72	319.70	6.52	-119.20
CC1=CC([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)=CC(C(=O)[O-])=C1	REAL300000451630	0	40	-2.0	-134.28	361.24	5.63	-128.65
CC1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000451631	0	31	-2.0	-127.06	307.09	5.91	-121.15
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=CC(C(=O)[O-])=C1	REAL300000451632	1	38	-2.0	-130.90	336.30	7.77	-123.13
COC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=CS1	REAL300000451633	0	32	-2.0	-133.12	309.32	4.12	-129.00
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000451634	0	34	-2.0	-126.13	319.35	7.12	-119.01
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451635	0	37	-2.0	-122.36	353.26	6.01	-116.35
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=CC(C(=O)[O-])=C1	REAL300000451636	0	38	-2.0	-131.81	341.80	7.84	-123.97
CC1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300000451637	0	41	-2.0	-122.10	351.91	6.28	-115.82
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451638	0	40	-2.0	-123.64	348.23	5.50	-118.14
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000451639	1	40	-2.0	-135.19	358.33	3.19	-132.00
CC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)=CC(C(=O)[O-])=C1	REAL300000451641	0	34	-2.0	-132.59	341.02	2.17	-130.42
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=CC(C(=O)[O-])=C1	REAL300000451642	0	36	-2.0	-137.98	330.69	4.03	-133.95
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)O1	REAL300000451643	0	34	-2.0	-127.06	313.17	5.27	-121.79
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451644	0	43	-2.0	-146.24	378.03	9.34	-136.90
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=CC(C(=O)[O-])=C1	REAL300000451645	0	31	-2.0	-118.69	310.94	4.89	-113.80
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451646	0	35	-2.0	-124.30	328.01	5.59	-118.71
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)=CC(C(=O)[O-])=C1	REAL300000451647	0	45	-2.0	-127.33	385.41	4.81	-122.52
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451648	1	37	-2.0	-127.78	340.30	7.19	-120.59
CC1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451649	1	35	-2.0	-127.66	326.33	5.24	-122.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)S1	REAL300000451651	0	32	-2.0	-124.37	310.87	4.12	-120.25
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)=CC(C(=O)[O-])=C1	REAL300000451652	0	42	-2.0	-147.37	358.54	7.96	-139.41
CC1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CC(C(=O)[O-])=C1	REAL300000451654	0	34	-2.0	-121.61	319.76	4.37	-117.24
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451655	1	41	-2.0	-132.27	364.01	6.35	-125.92
CC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)=CC(C(=O)[O-])=C1	REAL300000451656	0	34	-2.0	-120.21	338.75	5.13	-115.08
CC1=CC([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)=CC(C(=O)[O-])=C1	REAL300000451657	0	41	-2.0	-122.87	366.72	6.86	-116.01
CC1=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=CC(C(=O)[O-])=C1	REAL300000451658	0	44	-2.0	-124.21	373.48	6.61	-117.60
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CC(C(=O)[O-])=C1	REAL300000451660	1	34	-2.0	-131.00	308.72	6.59	-124.41
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451661	1	43	-2.0	-134.01	373.87	8.27	-125.74
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Br)C(C)=C2)=CC(C(=O)[O-])=C1	REAL300000451662	1	37	-2.0	-124.16	344.79	7.42	-116.74
CC1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC(C(=O)[O-])=C1	REAL300000451663	0	34	-2.0	-129.87	312.58	6.07	-123.80
CC1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=CC(C(=O)[O-])=C1	REAL300000451664	1	33	-2.0	-129.61	318.04	5.06	-124.55
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=N1	REAL300000451665	0	33	-2.0	-123.79	307.80	2.53	-121.26
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000451666	0	34	-2.0	-121.96	328.78	4.59	-117.37
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=CC(C(=O)[O-])=C1	REAL300000451668	0	33	-2.0	-118.94	328.10	4.94	-114.00
CC1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)=CC(C(=O)[O-])=C1	REAL300000451669	0	36	-2.0	-141.21	343.56	6.85	-134.36
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC(C(=O)[O-])=C1	REAL300000451670	0	28	-2.0	-120.26	286.83	4.28	-115.98
CC1=CC([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=CC(C(=O)[O-])=C1	REAL300000451671	1	36	-2.0	-137.35	340.29	6.63	-130.72
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000451672	1	40	-2.0	-139.63	345.86	8.51	-131.12
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)C(=O)N3C)=CC(C(=O)[O-])=C1	REAL300000451674	1	45	-2.0	-124.23	391.68	7.18	-117.05
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=CC(C(=O)[O-])=C1	REAL300000451675	0	31	-2.0	-120.70	314.60	6.28	-114.42
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)O1	REAL300000451676	0	37	-2.0	-136.02	350.71	1.96	-134.06
CC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300000451677	0	41	-2.0	-129.98	364.50	7.09	-122.89
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=CC(C(=O)[O-])=C1	REAL300000451681	0	35	-2.0	-128.45	330.90	6.98	-121.47
CC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300000451682	1	34	-2.0	-115.91	332.53	6.48	-109.43
CC1=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=CC(C(=O)[O-])=C1	REAL300000451684	0	27	-2.0	-115.46	291.01	4.09	-111.37
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300000451685	1	41	-2.0	-127.98	373.76	7.57	-120.41
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=NN1	REAL300000451686	0	37	-2.0	-124.34	347.28	3.47	-120.87
COC1=CSC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1OC	REAL300000451687	0	36	-2.0	-129.47	340.97	4.35	-125.12
CC1=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451688	0	32	-2.0	-101.25	326.34	4.67	-96.58
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451688	1	31	-3.0	-181.73	323.67	4.71	-177.02
CC1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000451689	0	30	-2.0	-111.14	304.71	4.30	-106.84
CC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300000451690	0	35	-2.0	-127.22	335.44	6.64	-120.58
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451691	1	35	-2.0	-126.32	332.56	5.31	-121.01
CC1=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=CC(C(=O)[O-])=C1	REAL300000451692	0	37	-2.0	-124.60	331.50	5.60	-119.00
CC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=CC(C(=O)[O-])=C1	REAL300000451693	1	38	-2.0	-135.89	340.80	7.43	-128.46
CC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=CC(C(=O)[O-])=C1	REAL300000451694	0	34	-2.0	-128.74	317.77	7.06	-121.68
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)=CC(C(=O)[O-])=C1	REAL300000451695	1	40	-2.0	-123.34	365.96	6.14	-117.20
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=CC(C(=O)[O-])=C1	REAL300000451696	0	28	-2.0	-115.72	312.16	5.77	-109.95
CC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=CC(C(=O)[O-])=C1	REAL300000451697	0	31	-2.0	-121.58	306.94	3.72	-117.86
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1	REAL300000451698	0	44	-2.0	-127.21	378.12	8.09	-119.12
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300000451699	1	36	-2.0	-124.78	339.76	6.35	-118.43
CC1=CC([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)=CC(C(=O)[O-])=C1	REAL300000451700	1	42	-2.0	-131.21	375.77	8.50	-122.71
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=CC(C(=O)[O-])=C1	REAL300000451701	0	37	-2.0	-142.37	324.91	7.50	-134.87
CC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=CC(C(=O)[O-])=C1	REAL300000451702	0	29	-2.0	-127.56	288.91	4.14	-123.42
CC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)=CC(C(=O)[O-])=C1	REAL300000451703	1	36	-2.0	-124.20	341.95	4.24	-119.96
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=CC(C(=O)[O-])=C1	REAL300000451704	0	32	-2.0	-128.05	328.58	4.45	-123.60
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)S1	REAL300000451705	0	40	-2.0	-131.45	368.98	4.71	-126.74
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)S1	REAL300000451705	1	39	-3.0	-192.29	366.99	3.51	-188.78
CC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)=CC(C(=O)[O-])=C1	REAL300000451706	0	33	-2.0	-118.50	314.83	5.06	-113.44
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451707	1	42	-2.0	-132.27	370.75	7.29	-124.98
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000451708	0	41	-2.0	-128.56	363.92	6.46	-122.10
CC1=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)=CC(C(=O)[O-])=C1	REAL300000451709	0	35	-2.0	-136.80	325.37	5.00	-131.80
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000451710	1	37	-2.0	-126.58	349.73	8.44	-118.14
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000451713	0	34	-2.0	-132.32	343.40	6.59	-125.73
CCC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300000451714	1	37	-2.0	-123.17	346.12	7.54	-115.63
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000451715	0	44	-2.0	-125.57	374.97	6.81	-118.76
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC(C(=O)[O-])=C1	REAL300000451716	0	28	-2.0	-123.63	285.86	4.16	-119.47
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CC(C(=O)[O-])=C1	REAL300000451717	0	28	-2.0	-121.36	295.89	5.18	-116.18
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300000451718	0	45	-2.0	-138.47	391.92	5.96	-132.51
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451719	0	37	-2.0	-132.28	345.94	8.51	-123.77
CC1=CC([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=CC(C(=O)[O-])=C1	REAL300000451720	0	39	-2.0	-120.24	339.39	3.40	-116.84
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=CC(C(=O)[O-])=C1	REAL300000451721	1	38	-2.0	-134.63	330.64	7.83	-126.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C(C)=N1	REAL300000451725	1	37	-2.0	-120.63	329.93	3.11	-117.52
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451726	0	37	-2.0	-132.54	334.47	3.51	-129.03
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451728	0	34	-2.0	-125.79	329.78	3.36	-122.43
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1C	REAL300000451729	1	37	-2.0	-121.48	334.42	3.08	-118.40
CC1=CC([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=CC(C(=O)[O-])=C1	REAL300000451730	0	40	-2.0	-124.21	350.05	5.81	-118.40
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1	REAL300000451731	0	40	-2.0	-125.45	350.68	5.40	-120.05
CC1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=CC(C(=O)[O-])=C1	REAL300000451732	0	30	-2.0	-123.31	314.42	3.66	-119.65
CC1=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=CC(C(=O)[O-])=C1	REAL300000451733	0	29	-2.0	-126.17	290.06	4.07	-122.10
CC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=CC(C(=O)[O-])=C1	REAL300000451734	0	29	-2.0	-133.33	297.63	4.99	-128.34
CC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)C)=CC(C(=O)[O-])=C1	REAL300000451736	0	37	-2.0	-122.66	329.99	4.86	-117.80
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1C	REAL300000451737	0	39	-2.0	-118.53	353.89	5.04	-113.49
CC1=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000451738	0	41	-2.0	-116.52	365.98	7.94	-108.58
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000451738	1	40	-3.0	-190.56	361.68	8.12	-182.44
CC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000451739	0	34	-2.0	-134.26	326.35	7.43	-126.83
CC1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CC(C(=O)[O-])=C1	REAL300000451740	0	38	-2.0	-119.94	339.30	5.78	-114.16
CC1=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300000451741	0	38	-2.0	-131.33	343.33	6.67	-124.66
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C=NN1C(C)C	REAL300000451743	0	40	-2.0	-127.09	351.57	5.41	-121.68
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451744	1	38	-2.0	-136.80	346.96	7.87	-128.93
CC1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000451745	0	33	-2.0	-127.46	316.33	4.77	-122.69
CC1=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=CC(C(=O)[O-])=C1	REAL300000451746	0	31	-2.0	-125.05	326.49	1.80	-123.25
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300000451749	1	38	-2.0	-130.32	348.61	7.91	-122.41
CC1=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=CC(C(=O)[O-])=C1	REAL300000451750	0	35	-2.0	-129.35	337.54	6.13	-123.22
CC1=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC(C(=O)[O-])=C1	REAL300000451751	0	41	-2.0	-105.93	363.46	8.11	-97.82
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC(C(=O)[O-])=C1	REAL300000451751	1	40	-3.0	-193.71	361.00	8.11	-185.60
CC1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC(C(=O)[O-])=C1	REAL300000451752	1	32	-2.0	-128.90	298.11	2.81	-126.09
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451753	1	40	-2.0	-133.19	352.01	7.35	-125.84
CC1=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=CC(C(=O)[O-])=C1	REAL300000451754	0	34	-2.0	-131.20	324.76	6.60	-124.60
CC1=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300000451755	0	35	-2.0	-138.47	334.97	4.93	-133.54
CC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=CC(C(=O)[O-])=C1	REAL300000451756	1	38	-2.0	-134.94	342.91	7.96	-126.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2Cl)=CC(C(=O)[O-])=C1	REAL300000451757	0	34	-2.0	-126.26	334.14	7.28	-118.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)=CC(C(=O)[O-])=C1	REAL300000451758	0	35	-2.0	-122.40	338.57	5.53	-116.87
CC1=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1	REAL300000451759	0	38	-2.0	-126.27	355.02	6.72	-119.55
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C(C(F)F)=C1	REAL300000451760	1	38	-2.0	-123.38	344.35	5.99	-117.39
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C1C(=O)OC	REAL300000451761	1	44	-2.0	-125.80	391.02	7.29	-118.51
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(C(=O)[O-])=C3)C=C2C1	REAL300000451762	1	44	-2.0	-132.66	386.39	8.19	-124.47
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451763	0	36	-2.0	-136.28	327.88	5.25	-131.03
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451764	0	37	-2.0	-124.58	351.90	3.82	-120.76
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)[O-])=C1	REAL300000451765	0	37	-2.0	-146.05	339.77	7.17	-138.88
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)=CC(C(=O)[O-])=C1	REAL300000451766	0	39	-2.0	-147.13	344.80	6.83	-140.30
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000451767	0	36	-3.0	-189.90	337.68	6.22	-183.68
CCC1=C(S(=O)(=O)NC2=CC(C)=CC(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000451767	1	37	-2.0	-138.78	340.46	5.66	-133.12
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000451768	0	44	-2.0	-140.22	376.55	7.67	-132.55
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)C=C(Cl)S1	REAL300000451769	0	31	-2.0	-121.77	312.33	6.07	-115.70
CC1=CC([N-]S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)=CC(C(=O)[O-])=C1	REAL300000451770	0	38	-2.0	-128.38	359.79	6.62	-121.76
CC1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=CC(C(=O)[O-])=C1	REAL300000451771	0	38	-2.0	-128.34	332.81	4.98	-123.36
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2)=C1	REAL300000451772	0	34	-2.0	-134.00	314.00	6.40	-127.60
O=C([O-])C1=CC(I)=CC([N-]S(=O)(=O)C2=CNN=C2)=C1	REAL300000451774	0	25	-2.0	-101.10	275.03	2.50	-98.60
O=C([O-])C1=CC(I)=CC([N-]S(=O)(=O)C2=CNC=N2)=C1	REAL300000451777	0	25	-2.0	-112.28	274.75	3.49	-108.79
O=C([O-])C1=CC(I)=CC([N-]S(=O)(=O)C2=CC=CO2)=C1	REAL300000451783	0	25	-2.0	-104.69	276.13	4.10	-100.59
O=C([O-])C1=CC(I)=CC([N-]S(=O)(=O)C2=COC=C2)=C1	REAL300000451785	0	25	-2.0	-103.35	275.98	3.98	-99.37
O=C([O-])C1=CC(I)=CC([N-]S(=O)(=O)C2=NC=CN2)=C1	REAL300000451786	0	25	-2.0	-108.75	275.07	2.67	-106.08
COCCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1OC	REAL300000451788	1	46	-2.0	-107.23	401.45	5.00	-102.23
COCCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000451789	1	47	-2.0	-105.76	408.09	4.34	-101.42
COCCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1OC	REAL300000451790	0	46	-2.0	-101.31	404.46	4.13	-97.18
COCCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1OC	REAL300000451791	0	45	-2.0	-104.24	398.43	3.05	-101.19
COC1=CC=C(CS(C)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000451792	0	41	-2.0	-115.86	379.94	2.55	-113.31
COC1=CC=C(CS(C)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000451793	0	41	-2.0	-130.98	379.94	2.54	-128.44
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000451794	1	41	-2.0	-119.92	379.81	7.52	-112.40
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1)C(=O)[O-]	REAL300000451797	0	35	-2.0	-107.79	331.96	7.07	-100.72
CC(SC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000451798	0	38	-2.0	-107.35	365.14	6.44	-100.91
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1)C(=O)[O-]	REAL300000451799	0	34	-2.0	-89.80	335.31	5.43	-84.37
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=C1)C(=O)[O-]	REAL300000451800	1	36	-2.0	-97.81	344.28	7.19	-90.62
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C=C1)C(=O)[O-]	REAL300000451801	1	36	-2.0	-107.74	345.84	7.27	-100.47
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1)C(=O)[O-]	REAL300000451802	0	35	-2.0	-95.06	345.68	7.38	-87.68
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=C1)C(=O)[O-]	REAL300000451803	0	36	-2.0	-116.09	343.14	7.15	-108.94
CC(SC1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000451804	0	38	-2.0	-120.14	359.03	7.33	-112.81
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000451804	1	37	-3.0	-161.61	356.44	7.39	-154.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000451805	1	40	-2.0	-98.26	370.15	8.07	-90.19
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451806	0	38	-2.0	-101.85	341.25	4.71	-97.14
CC(SC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000451808	0	38	-2.0	-103.12	358.68	7.23	-95.89
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000451809	0	43	-2.0	-108.79	381.19	5.86	-102.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1OC	REAL300000451810	1	43	-2.0	-99.27	382.18	5.99	-93.28
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451812	0	37	-2.0	-97.97	338.12	5.83	-92.14
CC(SC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000451813	0	38	-2.0	-118.49	354.48	7.30	-111.19
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000451813	1	37	-3.0	-186.37	353.51	7.43	-178.94
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1)C(=O)[O-]	REAL300000451814	1	35	-2.0	-91.57	336.15	6.91	-84.66
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000451815	1	38	-2.0	-108.09	346.45	7.54	-100.55
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300000451817	1	35	-2.0	-112.67	341.76	7.39	-105.28
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1	REAL300000451818	1	40	-2.0	-114.77	366.27	7.29	-107.48
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000451819	1	41	-2.0	-117.62	361.93	8.31	-109.31
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000451821	1	35	-2.0	-105.87	347.62	7.44	-98.43
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000451822	1	40	-2.0	-110.26	364.72	7.19	-103.07
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451824	0	41	-2.0	-128.51	370.27	8.26	-120.25
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)C=C1)C(=O)[O-]	REAL300000451825	1	47	-2.0	-115.33	401.23	9.19	-106.14
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1)C(=O)[O-]	REAL300000451828	0	32	-2.0	-99.97	334.02	6.50	-93.47
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451830	0	39	-2.0	-104.62	351.69	6.59	-98.03
CC1=CC=C(S(=O)(=O)NC2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000451831	0	41	-2.0	-115.56	378.32	7.87	-107.69
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1)C(=O)[O-]	REAL300000451832	0	35	-2.0	-107.96	343.13	7.06	-100.90
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000451833	0	35	-2.0	-116.61	338.17	7.43	-109.18
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000451834	1	37	-2.0	-98.16	351.69	7.46	-90.70
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451835	1	40	-2.0	-114.45	368.74	8.31	-106.14
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300000451836	0	32	-2.0	-96.70	315.38	5.80	-90.90
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000451838	0	37	-2.0	-119.63	346.34	8.29	-111.34
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1)C(=O)[O-]	REAL300000451841	0	35	-2.0	-103.70	336.95	7.01	-96.69
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300000451842	1	35	-2.0	-97.76	329.86	6.85	-90.91
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1)C(=O)[O-]	REAL300000451843	1	35	-2.0	-98.08	337.86	7.01	-91.07
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1)C(=O)[O-]	REAL300000451845	1	41	-2.0	-100.82	367.95	5.95	-94.87
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300000451847	1	35	-2.0	-94.50	340.18	7.31	-87.19
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000451848	0	37	-2.0	-89.86	351.67	7.46	-82.40
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300000451849	1	35	-2.0	-100.91	323.46	6.79	-94.12
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1	REAL300000451850	1	42	-2.0	-122.81	381.10	5.75	-117.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)S1	REAL300000451851	0	35	-2.0	-99.84	337.27	6.60	-93.24
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1)C(=O)[O-]	REAL300000451852	0	37	-3.0	-171.36	358.98	7.50	-163.86
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451853	1	40	-2.0	-93.77	363.97	8.19	-85.58
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1)C(=O)[O-]	REAL300000451854	0	35	-2.0	-106.42	336.95	7.01	-99.41
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1)C(=O)[O-]	REAL300000451855	1	39	-2.0	-96.69	359.21	3.61	-93.08
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1	REAL300000451856	1	39	-2.0	-98.45	363.64	7.81	-90.64
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1)C(=O)[O-]	REAL300000451857	1	40	-2.0	-112.10	367.07	5.33	-106.77
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1)C(=O)[O-]	REAL300000451858	0	34	-3.0	-157.95	345.10	6.37	-151.58
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1)C(=O)[O-]	REAL300000451859	1	38	-2.0	-101.86	356.78	4.38	-97.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451861	0	41	-2.0	-139.34	368.43	7.79	-131.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451861	1	40	-3.0	-188.60	368.93	8.22	-180.38
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451862	0	41	-2.0	-97.09	360.15	5.83	-91.26
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1	REAL300000451863	1	41	-2.0	-110.47	379.79	7.54	-102.93
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1	REAL300000451864	1	42	-2.0	-115.04	381.46	5.16	-109.88
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C=C1)C(=O)[O-]	REAL300000451865	1	39	-2.0	-100.19	357.95	3.58	-96.61
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1)C(=O)[O-]	REAL300000451867	1	41	-2.0	-103.09	369.40	9.07	-94.02
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1	REAL300000451868	1	45	-2.0	-99.40	400.01	7.30	-92.10
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300000451871	1	35	-2.0	-108.35	331.43	6.94	-101.41
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1)C(=O)[O-]	REAL300000451872	0	35	-2.0	-119.80	330.53	6.93	-112.87
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451873	0	41	-2.0	-110.46	376.31	5.38	-105.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C(Cl)=C1	REAL300000451875	0	38	-2.0	-99.02	357.99	8.03	-90.99
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1)C(=O)[O-]	REAL300000451877	0	35	-2.0	-100.88	344.57	7.51	-93.37
CC(SC1=CC=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000451879	0	39	-2.0	-98.51	366.79	6.64	-91.87
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000451879	1	38	-3.0	-182.97	360.14	6.78	-176.19
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C=C1)C(=O)[O-]	REAL300000451880	0	35	-2.0	-104.51	340.91	6.36	-98.15
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C=C1)C(=O)[O-]	REAL300000451881	0	40	-2.0	-113.01	366.75	3.04	-109.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1F	REAL300000451882	1	39	-2.0	-112.00	360.74	6.23	-105.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1C(N)=O	REAL300000451885	1	42	-2.0	-96.01	374.20	4.25	-91.76
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2)C=C1)C(=O)[O-]	REAL300000451886	0	35	-2.0	-95.86	328.00	4.50	-91.36
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451887	1	40	-2.0	-87.73	367.16	8.24	-79.49
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=CN1C	REAL300000451889	0	43	-2.0	-113.55	389.19	4.53	-109.02
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451890	1	38	-2.0	-113.37	357.24	8.16	-105.21
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000451893	1	36	-2.0	-104.88	361.25	7.68	-97.20
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C=C1)C(=O)[O-]	REAL300000451894	1	36	-2.0	-91.64	359.66	7.61	-84.03
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1)C(=O)[O-]	REAL300000451895	1	39	-2.0	-121.27	363.40	7.25	-114.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1Cl	REAL300000451896	1	38	-2.0	-112.55	360.50	7.97	-104.58
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1)C(=O)[O-]	REAL300000451897	0	35	-2.0	-101.24	345.13	7.35	-93.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1F	REAL300000451898	1	38	-2.0	-112.26	351.76	7.58	-104.68
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451899	1	38	-2.0	-92.23	355.66	8.08	-84.15
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000451900	0	38	-2.0	-120.24	351.94	7.60	-112.64
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451901	1	38	-2.0	-113.83	346.92	7.71	-106.12
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)C=C1)C(=O)[O-]	REAL300000451902	1	41	-2.0	-114.42	385.07	8.93	-105.49
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451903	0	40	-2.0	-112.22	360.20	9.22	-103.00
CC(SC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000451904	0	34	-3.0	-172.42	345.16	6.47	-165.95
CC(SC1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000451904	1	35	-2.0	-98.33	346.19	6.36	-91.97
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000451907	0	39	-2.0	-119.51	356.21	5.23	-114.28
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000451907	1	39	-2.0	-99.71	355.56	6.05	-93.66
CC(SC1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1)C(=O)[O-]	REAL300000451908	0	32	-2.0	-108.57	306.62	3.27	-105.30
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1)C(=O)[O-]	REAL300000451909	1	39	-2.0	-93.47	361.27	7.15	-86.32
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1)C(=O)[O-]	REAL300000451910	0	35	-2.0	-98.03	338.36	7.13	-90.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000451911	0	37	-3.0	-159.83	354.95	6.49	-153.34
CC1=C(S(=O)(=O)NC2=CC=C(SC(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000451911	1	38	-2.0	-111.73	357.60	6.45	-105.28
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1)C(=O)[O-]	REAL300000451912	0	38	-2.0	-135.84	353.23	6.08	-129.76
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451913	0	45	-2.0	-108.74	394.98	8.17	-100.57
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1)C(=O)[O-]	REAL300000451914	0	34	-2.0	-92.07	324.87	5.06	-87.01
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)C=C1)C(=O)[O-]	REAL300000451915	1	40	-2.0	-117.08	361.18	7.30	-109.78
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(C)C=N2)C=C1)C(=O)[O-]	REAL300000451916	0	35	-2.0	-107.82	327.47	5.88	-101.94
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(SC(C)C(=O)[O-])C=C3)C=C12	REAL300000451918	0	39	-2.0	-89.91	363.20	3.77	-86.14
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=C1)C(=O)[O-]	REAL300000451919	0	35	-2.0	-103.29	340.97	5.40	-97.89
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1)C(=O)[O-]	REAL300000451920	0	35	-2.0	-102.05	335.24	6.91	-95.14
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1)C(=O)[O-]	REAL300000451921	0	41	-2.0	-121.56	368.16	6.52	-115.04
CC1=NC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=CN1C	REAL300000451922	0	38	-2.0	-106.86	346.98	5.68	-101.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=N1	REAL300000451923	0	38	-2.0	-95.92	349.53	5.35	-90.57
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000451924	1	42	-2.0	-100.05	378.52	6.52	-93.53
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1)C(=O)[O-]	REAL300000451925	1	40	-2.0	-96.80	359.42	6.10	-90.70
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000451926	0	35	-2.0	-103.48	344.57	7.51	-95.97
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451929	0	35	-2.0	-95.86	323.87	3.84	-92.02
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000451930	1	39	-2.0	-102.54	352.96	6.09	-96.45
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451931	1	38	-2.0	-107.10	340.52	7.65	-99.45
CC(SC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2)C=C1)C(=O)[O-]	REAL300000451933	0	35	-2.0	-105.97	328.29	4.33	-101.64
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C)C=C1)C(=O)[O-]	REAL300000451934	0	35	-2.0	-92.90	323.69	4.43	-88.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000451940	0	38	-2.0	-101.84	350.36	7.54	-94.30
CC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=CC=C1F	REAL300000451941	1	38	-2.0	-108.86	351.75	7.57	-101.29
CC(SC1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1)C(=O)[O-]	REAL300000451942	0	32	-2.0	-103.82	304.75	4.18	-99.64
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)O1	REAL300000451943	0	38	-2.0	-101.30	364.59	5.67	-95.63
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1)C(=O)[O-]	REAL300000451944	0	40	-2.0	-115.33	363.39	7.43	-107.90
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1)C(=O)[O-]	REAL300000451945	0	35	-2.0	-106.31	343.22	7.05	-99.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=CN=C1Cl	REAL300000451946	0	37	-2.0	-105.78	355.67	6.09	-99.69
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451947	0	41	-2.0	-108.61	381.62	4.38	-104.23
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451950	0	47	-2.0	-97.36	402.62	7.40	-89.96
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)SC=C1	REAL300000451951	0	35	-2.0	-101.46	334.19	6.43	-95.03
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1C	REAL300000451952	0	44	-2.0	-97.16	381.96	6.70	-90.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=CC=C1[N+](=O)[O-]	REAL300000451953	0	40	-2.0	-88.36	367.55	7.99	-80.37
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451956	1	39	-2.0	-98.01	359.72	7.96	-90.05
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C=C1)C(=O)[O-]	REAL300000451957	1	47	-2.0	-105.35	377.54	9.58	-95.77
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451958	1	39	-2.0	-91.45	359.69	7.95	-83.50
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C=C1)C(=O)[O-]	REAL300000451961	0	36	-2.0	-94.27	349.75	7.25	-87.02
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(SC(C)C(=O)[O-])C=C3)C=C2O1	REAL300000451962	1	40	-2.0	-96.35	367.10	4.46	-91.89
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=N1	REAL300000451963	0	41	-2.0	-103.95	369.81	5.96	-97.99
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1)C(=O)[O-]	REAL300000451965	1	40	-2.0	-98.80	364.41	7.17	-91.63
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=N1	REAL300000451966	0	41	-2.0	-101.47	382.80	5.56	-95.91
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=CN1	REAL300000451967	0	41	-2.0	-106.24	367.25	5.23	-101.01
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1)C(=O)[O-]	REAL300000451970	1	35	-2.0	-92.57	344.03	7.06	-85.51
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=CN1C	REAL300000451972	0	42	-2.0	-103.02	384.61	6.89	-96.13
CC(SC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1)C(=O)[O-]	REAL300000451973	0	38	-2.0	-106.58	363.23	7.26	-99.32
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1)C(=O)[O-]	REAL300000451973	1	37	-3.0	-152.09	356.45	7.40	-144.69
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1)C(=O)[O-]	REAL300000451975	0	34	-3.0	-169.93	345.75	6.56	-163.37
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000451976	0	44	-2.0	-121.89	389.60	7.84	-114.05
CC(SC1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000451977	0	38	-2.0	-103.74	360.95	7.38	-96.36
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000451977	1	37	-3.0	-155.01	358.32	7.42	-147.59
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=CN1	REAL300000451978	0	39	-2.0	-100.84	366.85	5.15	-95.69
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1)C(=O)[O-]	REAL300000451979	0	37	-3.0	-150.57	357.37	7.43	-143.14
CC(SC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1)C(=O)[O-]	REAL300000451979	1	38	-2.0	-95.82	360.08	7.38	-88.44
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000451980	1	38	-2.0	-103.73	345.84	7.68	-96.05
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)S1	REAL300000451981	0	37	-2.0	-95.24	348.68	5.37	-89.87
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C=C1)C(=O)[O-]	REAL300000451982	1	39	-2.0	-121.67	367.28	8.04	-113.63
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000451983	1	41	-2.0	-101.79	366.36	8.22	-93.57
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000451984	1	38	-2.0	-104.40	352.86	7.61	-96.79
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000451986	0	41	-2.0	-102.20	382.93	6.33	-95.87
CC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C(F)C=C1F	REAL300000451987	0	38	-2.0	-96.51	355.64	7.55	-88.96
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300000451988	1	41	-2.0	-108.05	364.50	9.11	-98.94
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1)C(=O)[O-]	REAL300000451989	0	37	-2.0	-104.35	357.03	6.36	-97.99
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1)C(=O)[O-]	REAL300000451990	0	38	-3.0	-167.82	361.63	5.07	-162.75
CC(SC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1)C(=O)[O-]	REAL300000451990	1	38	-3.0	-168.95	362.43	5.94	-163.01
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1)C(=O)[O-]	REAL300000451991	1	45	-2.0	-101.51	378.77	9.42	-92.09
CC(SC1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000451992	0	41	-2.0	-98.29	387.43	8.27	-90.02
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000451992	1	40	-3.0	-174.59	375.66	8.21	-166.38
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)O1	REAL300000451993	0	41	-2.0	-101.50	386.45	6.59	-94.91
COC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)SC=C1	REAL300000451995	0	36	-2.0	-124.86	347.20	5.16	-119.70
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1)C(=O)[O-]	REAL300000451996	0	38	-2.0	-102.09	353.22	7.19	-94.90
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C=C1)C(=O)[O-]	REAL300000451997	0	35	-2.0	-88.85	338.42	5.74	-83.11
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C=C1)C(=O)[O-]	REAL300000451998	0	35	-2.0	-108.93	345.22	5.70	-103.23
COC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=CC(OC)=C1	REAL300000451999	1	43	-2.0	-100.98	382.43	5.41	-95.57
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1)C(=O)[O-]	REAL300000452000	0	36	-2.0	-112.92	340.87	5.61	-107.31
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C=C1)C(=O)[O-]	REAL300000452001	0	36	-2.0	-97.76	347.26	4.71	-93.05
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)S1	REAL300000452002	0	34	-2.0	-96.81	331.98	4.61	-92.20
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452003	0	41	-2.0	-98.30	364.51	7.96	-90.34
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452003	1	40	-3.0	-162.70	365.62	8.09	-154.61
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452005	0	41	-2.0	-99.65	371.55	8.18	-91.47
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C=C1)C(=O)[O-]	REAL300000452006	0	36	-2.0	-112.22	354.31	7.54	-104.68
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1F	REAL300000452007	0	38	-2.0	-114.85	357.24	7.64	-107.21
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452010	0	41	-2.0	-121.55	370.47	7.26	-114.29
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=N1	REAL300000452011	0	40	-2.0	-92.34	374.19	5.62	-86.72
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452012	1	43	-2.0	-110.36	386.54	8.07	-102.29
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=N1	REAL300000452013	0	42	-2.0	-94.29	383.20	4.40	-89.89
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1C#N	REAL300000452015	0	39	-2.0	-122.80	362.28	7.65	-115.15
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C=C1)C(=O)[O-]	REAL300000452016	0	44	-2.0	-97.79	396.44	8.44	-89.35
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452017	0	41	-2.0	-121.65	372.35	7.62	-114.03
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1)C(=O)[O-]	REAL300000452018	0	43	-2.0	-94.23	381.51	4.54	-89.69
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1F	REAL300000452019	0	38	-2.0	-120.76	350.84	7.58	-113.18
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=N1	REAL300000452020	1	41	-2.0	-100.64	374.07	4.49	-96.15
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1)C(=O)[O-]	REAL300000452021	0	42	-2.0	-117.26	370.82	6.91	-110.35
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1	REAL300000452022	1	42	-2.0	-115.76	380.10	6.60	-109.16
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452023	0	40	-2.0	-104.54	362.72	3.77	-100.77
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1Cl	REAL300000452024	0	38	-2.0	-117.49	356.89	8.02	-109.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C(C)O1	REAL300000452026	0	38	-2.0	-114.05	348.01	6.46	-107.59
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452028	1	42	-2.0	-99.49	370.05	6.82	-92.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)O1	REAL300000452030	0	35	-2.0	-97.72	328.05	5.61	-92.11
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452031	0	38	-2.0	-107.47	358.69	7.29	-100.18
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1)C(=O)[O-]	REAL300000452032	1	38	-2.0	-97.32	349.50	5.45	-91.87
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300000452033	1	35	-2.0	-90.13	346.59	7.39	-82.74
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C(C)O1	REAL300000452034	0	41	-2.0	-100.38	382.88	6.43	-93.95
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300000452035	0	34	-2.0	-92.20	335.21	5.48	-86.72
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)N=C1C	REAL300000452036	0	41	-2.0	-115.26	370.59	6.66	-108.60
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452037	0	38	-2.0	-117.13	359.58	8.10	-109.03
CCN1C=C(S(=O)(=O)NC2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000452038	0	42	-2.0	-100.67	386.66	7.44	-93.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000452038	1	41	-3.0	-184.42	381.51	7.66	-176.76
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452039	0	38	-2.0	-104.88	364.93	5.61	-99.27
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452040	0	47	-2.0	-106.60	401.19	7.44	-99.16
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000452041	0	35	-2.0	-119.92	341.10	7.67	-112.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C(Cl)=N1	REAL300000452042	0	37	-2.0	-113.03	354.92	6.19	-106.84
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452043	0	40	-2.0	-113.82	374.07	7.07	-106.75
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)S1	REAL300000452044	0	37	-2.0	-102.49	355.05	5.45	-97.04
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C(C)=C1F	REAL300000452045	1	42	-2.0	-110.45	375.12	6.98	-103.47
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C=C1)C(=O)[O-]	REAL300000452046	0	36	-2.0	-100.52	358.93	7.83	-92.69
CC(SC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1)C(=O)[O-]	REAL300000452047	0	38	-2.0	-115.93	352.97	7.19	-108.74
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452048	0	40	-2.0	-111.43	374.99	5.73	-105.70
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452049	0	45	-2.0	-106.78	387.01	8.55	-98.23
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452053	0	35	-2.0	-91.97	352.43	7.02	-84.95
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1)C(=O)[O-]	REAL300000452054	1	38	-2.0	-97.95	355.63	7.67	-90.28
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1)C(=O)[O-]	REAL300000452055	0	38	-2.0	-95.19	361.38	5.68	-89.51
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452056	1	39	-2.0	-113.60	361.13	7.95	-105.65
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452057	1	44	-2.0	-100.49	377.46	8.79	-91.70
COC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=CC=C1F	REAL300000452058	1	39	-2.0	-107.93	360.75	6.24	-101.69
CC(SC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1)C(=O)[O-]	REAL300000452059	0	34	-2.0	-103.52	336.15	7.20	-96.32
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1)C(=O)[O-]	REAL300000452060	0	32	-2.0	-105.40	307.72	4.87	-100.53
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C)C=C1)C(=O)[O-]	REAL300000452061	0	34	-2.0	-86.92	317.92	3.20	-83.72
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C=C1)C(=O)[O-]	REAL300000452062	1	40	-2.0	-93.46	367.80	5.93	-87.53
CC(SC1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000452063	0	34	-2.0	-98.78	346.21	6.64	-92.14
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1)C(=O)[O-]	REAL300000452064	0	39	-2.0	-102.27	351.44	6.23	-96.04
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C=C1)C(=O)[O-]	REAL300000452065	0	36	-2.0	-95.10	357.38	7.75	-87.35
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452066	1	41	-2.0	-105.73	355.27	8.59	-97.14
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452067	0	43	-2.0	-129.77	379.01	7.39	-122.38
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452069	0	38	-2.0	-121.68	344.38	7.84	-113.84
CC(SC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C=C1)C(=O)[O-]	REAL300000452070	0	39	-2.0	-127.39	363.43	6.95	-120.44
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1)C(=O)[O-]	REAL300000452072	0	36	-2.0	-121.17	349.80	5.18	-115.99
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452073	0	38	-2.0	-97.27	348.04	4.26	-93.01
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1)OCO2	REAL300000452074	1	41	-2.0	-95.20	364.94	6.23	-88.97
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C=C1)C(=O)[O-]	REAL300000452077	1	39	-2.0	-117.49	357.87	8.13	-109.36
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C=C1)C(=O)[O-]	REAL300000452078	1	39	-2.0	-121.86	367.28	8.03	-113.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C(N)=NO1	REAL300000452080	0	36	-2.0	-97.67	332.58	4.24	-93.43
CC(SC1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300000452081	0	36	-2.0	-102.75	352.54	5.65	-97.10
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452083	1	42	-2.0	-119.08	369.99	6.94	-112.14
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C=C1)C(=O)[O-]	REAL300000452085	0	33	-2.0	-91.96	335.96	6.34	-85.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=N1	REAL300000452086	0	37	-2.0	-95.76	340.05	5.62	-90.14
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1)C(=O)[O-]	REAL300000452087	0	40	-2.0	-100.04	364.65	7.16	-92.88
CC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=CC=C1C#N	REAL300000452088	1	39	-2.0	-99.58	365.01	7.77	-91.81
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1)C(=O)[O-]	REAL300000452089	0	34	-2.0	-93.16	342.78	5.56	-87.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000452091	0	39	-2.0	-99.57	358.43	6.16	-93.41
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1)C(=O)[O-]	REAL300000452093	1	38	-2.0	-114.02	359.20	7.80	-106.22
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)N(C)N=C1	REAL300000452095	0	38	-2.0	-93.34	339.31	5.31	-88.03
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C=C1)C(=O)[O-]	REAL300000452097	0	33	-2.0	-99.32	328.98	5.41	-93.91
CC(SC1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1)C(=O)[O-]	REAL300000452098	0	32	-2.0	-97.08	314.55	5.70	-91.38
CC(SC1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1)C(=O)[O-]	REAL300000452099	0	32	-2.0	-97.58	305.99	4.67	-92.91
CC1=CC(S(=O)(=O)NC2=CC=C(SC(C)C(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000452100	0	41	-2.0	-97.83	372.17	7.95	-89.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=N1	REAL300000452101	1	38	-2.0	-100.68	352.21	3.56	-97.12
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1)C(=O)[O-]	REAL300000452102	0	35	-2.0	-106.42	347.27	7.46	-98.96
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452103	1	46	-2.0	-116.97	403.62	8.01	-108.96
CC(SC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1)C(=O)[O-]	REAL300000452104	0	38	-2.0	-117.17	361.61	8.23	-108.94
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1)C(=O)[O-]	REAL300000452105	0	38	-2.0	-102.54	350.06	5.43	-97.11
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452106	1	42	-2.0	-118.41	376.38	7.09	-111.32
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1)C(=O)[O-]	REAL300000452108	0	32	-2.0	-100.26	331.43	6.25	-94.01
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452109	0	35	-2.0	-113.92	338.60	6.54	-107.38
CC(SC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1)C(=O)[O-]	REAL300000452110	0	32	-2.0	-95.75	321.74	3.60	-92.15
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1)C(=O)[O-]	REAL300000452111	0	34	-2.0	-107.21	331.95	4.98	-102.23
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452112	0	44	-2.0	-109.36	389.62	5.92	-103.44
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=N1	REAL300000452113	1	44	-2.0	-92.47	392.62	5.34	-87.13
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1)C(=O)[O-]	REAL300000452115	0	38	-2.0	-96.59	359.63	7.26	-89.33
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452116	0	40	-2.0	-123.67	366.00	6.46	-117.21
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452117	0	34	-2.0	-91.63	331.94	5.09	-86.54
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1)C(=O)[O-]	REAL300000452120	1	42	-2.0	-115.43	374.25	8.97	-106.46
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1)C(=O)[O-]	REAL300000452121	0	32	-2.0	-118.42	323.31	5.92	-112.50
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C=C1)C(=O)[O-]	REAL300000452122	1	36	-2.0	-104.97	351.73	7.31	-97.66
CC(SC1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1)C(=O)[O-]	REAL300000452126	0	32	-2.0	-98.57	305.07	3.37	-95.20
CC(SC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1)C(=O)[O-]	REAL300000452127	0	40	-2.0	-103.09	360.45	3.70	-99.39
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)S1	REAL300000452128	0	38	-2.0	-101.85	354.90	7.33	-94.52
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300000452129	0	36	-2.0	-104.00	348.42	5.72	-98.28
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452130	0	37	-2.0	-91.50	351.01	6.18	-85.32
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=NN1C	REAL300000452134	0	38	-2.0	-99.26	346.36	5.00	-94.26
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1	REAL300000452135	1	39	-2.0	-100.70	354.53	7.88	-92.82
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452136	0	38	-2.0	-98.54	348.66	5.09	-93.45
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=C1)C(=O)[O-]	REAL300000452137	0	35	-2.0	-105.31	340.88	5.47	-99.84
CC(SC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1)C(=O)[O-]	REAL300000452140	0	35	-2.0	-96.32	339.12	4.33	-91.99
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1)C(=O)[O-]	REAL300000452141	0	37	-3.0	-170.64	355.57	7.38	-163.26
CC(SC1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1)C(=O)[O-]	REAL300000452142	0	37	-2.0	-126.03	356.23	6.29	-119.74
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1)C(=O)[O-]	REAL300000452143	1	40	-2.0	-109.05	360.84	6.72	-102.33
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452145	0	38	-2.0	-101.40	350.24	8.30	-93.10
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1)C(=O)[O-]	REAL300000452146	0	40	-2.0	-117.02	361.35	6.69	-110.33
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C(F)=C1	REAL300000452151	0	38	-2.0	-122.54	354.94	7.82	-114.72
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C=C1)C(=O)[O-]	REAL300000452152	1	40	-2.0	-114.82	368.88	5.32	-109.50
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452154	0	39	-2.0	-103.94	358.12	6.64	-97.30
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452155	0	34	-2.0	-97.72	321.99	4.82	-92.90
CC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=CC=C1Cl	REAL300000452156	1	38	-2.0	-95.31	358.92	7.89	-87.42
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1)C(=O)[O-]	REAL300000452157	1	41	-2.0	-123.79	373.15	7.85	-115.94
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1)C(=O)[O-]	REAL300000452159	0	34	-2.0	-101.96	323.96	4.97	-96.99
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1)C(=O)[O-]	REAL300000452162	0	34	-2.0	-89.24	324.85	4.95	-84.29
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C=C1)C(=O)[O-]	REAL300000452164	0	33	-2.0	-111.22	335.44	6.27	-104.95
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1)C(=O)[O-]	REAL300000452167	1	35	-2.0	-92.01	346.04	7.36	-84.65
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1)C(=O)[O-]	REAL300000452168	0	43	-2.0	-125.91	377.22	8.08	-117.83
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452174	1	42	-2.0	-118.01	380.96	4.31	-113.70
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)N(C)N=C1	REAL300000452176	0	41	-2.0	-98.15	372.69	5.87	-92.28
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)N1C	REAL300000452178	0	38	-2.0	-113.15	346.62	5.78	-107.37
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)O1	REAL300000452180	0	41	-2.0	-95.23	380.89	6.16	-89.07
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1)C(=O)[O-]	REAL300000452181	0	38	-2.0	-111.59	364.78	6.37	-105.22
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1)C(=O)[O-]	REAL300000452182	0	34	-2.0	-95.05	340.83	5.39	-89.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C(F)=C1F	REAL300000452183	0	38	-2.0	-100.19	355.53	7.57	-92.62
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)OC=C1	REAL300000452184	0	38	-2.0	-109.78	359.72	5.81	-103.97
CC(SC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300000452185	0	37	-2.0	-111.26	350.52	5.78	-105.48
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C(C)=N1	REAL300000452186	0	47	-2.0	-104.94	412.95	7.63	-97.31
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1)C(=O)[O-]	REAL300000452187	0	36	-3.0	-175.03	349.72	5.55	-169.48
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452188	0	39	-2.0	-114.07	357.63	6.94	-107.13
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C=C1)C(=O)[O-]	REAL300000452189	1	36	-2.0	-98.15	352.29	7.34	-90.81
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1)C(=O)[O-]	REAL300000452190	0	37	-2.0	-126.51	348.19	6.06	-120.45
CC(SC1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1)C(=O)[O-]	REAL300000452190	1	37	-2.0	-98.13	346.72	5.83	-92.30
CC(SC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1)C(=O)[O-]	REAL300000452191	0	39	-2.0	-106.60	357.19	6.75	-99.85
CC(SC1=CC=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C=C1)C(=O)[O-]	REAL300000452192	0	45	-2.0	-103.59	386.02	7.00	-96.59
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C=C1)C(=O)[O-]	REAL300000452193	0	47	-2.0	-97.36	391.82	7.37	-89.99
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1)C(=O)[O-]	REAL300000452195	0	45	-2.0	-97.69	390.86	7.15	-90.54
CC(SC1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1)C(=O)[O-]	REAL300000452197	0	36	-2.0	-91.99	340.44	5.41	-86.58
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1)C(=O)[O-]	REAL300000452197	1	36	-2.0	-99.64	339.64	4.55	-95.09
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452199	0	38	-2.0	-110.32	354.45	4.46	-105.86
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452200	0	41	-2.0	-104.97	367.88	6.03	-98.94
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1F	REAL300000452201	1	40	-2.0	-114.89	370.04	7.35	-107.54
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C=C1)C(=O)[O-]	REAL300000452202	0	35	-2.0	-93.30	328.65	4.15	-89.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C(C#N)=C1	REAL300000452203	0	39	-2.0	-114.90	364.54	7.82	-107.08
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452204	0	39	-2.0	-124.84	356.73	8.11	-116.73
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C=C1)C(=O)[O-]	REAL300000452206	1	42	-2.0	-118.90	388.77	8.83	-110.07
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452208	0	35	-2.0	-104.18	344.28	2.67	-101.51
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1)C(=O)[O-]	REAL300000452210	0	31	-2.0	-91.43	310.19	4.50	-86.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C(C(N)=O)O1	REAL300000452213	0	39	-2.0	-115.00	364.57	2.49	-112.51
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452214	1	44	-2.0	-116.09	376.68	9.38	-106.71
CC(SC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1)C(=O)[O-]	REAL300000452215	0	35	-2.0	-120.91	339.75	6.99	-113.92
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1)C(=O)[O-]	REAL300000452217	1	40	-2.0	-123.19	361.27	7.38	-115.81
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452218	0	42	-2.0	-101.97	384.84	7.00	-94.97
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C=C1)C(=O)[O-]	REAL300000452219	0	36	-2.0	-115.78	350.86	7.30	-108.48
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=N2)C=C1)C(=O)[O-]	REAL300000452220	0	34	-2.0	-102.21	322.25	3.12	-99.09
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1)C(=O)[O-]	REAL300000452221	0	42	-2.0	-104.83	374.94	6.55	-98.28
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1)C(=O)[O-]	REAL300000452222	0	42	-2.0	-93.01	370.74	6.68	-86.33
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1)C(=O)[O-]	REAL300000452223	0	45	-2.0	-101.22	394.64	7.48	-93.74
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1)C(=O)[O-]	REAL300000452224	0	42	-2.0	-114.78	367.95	6.94	-107.84
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452225	0	38	-2.0	-112.17	348.12	7.57	-104.60
CC(SC1=CC=C([N-]S(=O)(=O)C2=C3OC(C)CC3=CC=C2)C=C1)C(=O)[O-]	REAL300000452226	0	43	-2.0	-117.99	382.21	7.46	-110.53
CC(SC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1)C(=O)[O-]	REAL300000452227	0	32	-2.0	-95.45	328.87	6.22	-89.23
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452228	0	40	-2.0	-113.72	365.19	6.38	-107.34
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452229	0	37	-2.0	-95.28	338.96	4.21	-91.07
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1)C(=O)[O-]	REAL300000452231	1	36	-2.0	-90.13	338.34	5.58	-84.55
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1)C(=O)[O-]	REAL300000452232	0	38	-2.0	-108.85	363.89	8.30	-100.55
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C=C1)C(=O)[O-]	REAL300000452233	0	42	-2.0	-92.07	374.38	6.56	-85.51
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1OC	REAL300000452235	0	43	-2.0	-104.15	379.05	6.65	-97.50
CC(SC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1)C(=O)[O-]	REAL300000452236	0	38	-2.0	-116.68	354.80	7.16	-109.52
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C=C1)C(=O)[O-]	REAL300000452237	0	42	-2.0	-100.86	380.59	6.67	-94.19
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1)C(=O)[O-]	REAL300000452238	0	38	-2.0	-104.67	352.88	6.01	-98.66
CC(SC1=CC=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C=C1)C(=O)[O-]	REAL300000452239	0	40	-2.0	-125.47	369.58	5.27	-120.20
CC(SC1=CC=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C=C1)C(=O)[O-]	REAL300000452240	0	42	-2.0	-98.98	364.39	8.72	-90.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=CN=C1N	REAL300000452241	1	39	-2.0	-114.67	353.06	4.58	-110.09
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452242	0	35	-2.0	-104.48	342.33	2.74	-101.74
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)N=CN1	REAL300000452243	0	35	-2.0	-104.99	322.56	4.89	-100.10
CC(SC1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1)C(=O)[O-]	REAL300000452245	1	38	-2.0	-98.55	357.18	7.18	-91.37
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C=C1)C(=O)[O-]	REAL300000452246	0	45	-2.0	-108.05	396.57	7.28	-100.77
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1)C(=O)[O-]	REAL300000452247	0	32	-2.0	-111.98	330.84	6.42	-105.56
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1)C(=O)[O-]	REAL300000452248	0	45	-2.0	-96.04	397.42	7.43	-88.61
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1)C(=O)[O-]	REAL300000452249	0	39	-2.0	-118.98	361.77	8.07	-110.91
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452250	1	44	-2.0	-99.27	387.84	9.01	-90.26
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452251	0	41	-2.0	-99.32	381.32	5.21	-94.11
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C=C1)C(=O)[O-]	REAL300000452252	0	36	-2.0	-116.92	349.55	7.22	-109.70
CC(SC1=CC=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C=C1)C(=O)[O-]	REAL300000452253	0	42	-2.0	-104.20	370.75	6.40	-97.80
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C=C1)C(=O)[O-]	REAL300000452256	0	44	-2.0	-110.98	374.31	6.58	-104.40
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C=C1)C(=O)[O-]	REAL300000452257	0	44	-2.0	-104.75	389.54	6.58	-98.17
CC(SC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1)C(=O)[O-]	REAL300000452258	0	42	-2.0	-98.13	372.01	5.89	-92.24
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C=C1)C(=O)[O-]	REAL300000452259	0	46	-2.0	-104.49	399.31	7.69	-96.80
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1)C(=O)[O-]	REAL300000452260	1	38	-2.0	-115.31	353.01	7.69	-107.62
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452261	0	38	-2.0	-91.88	345.63	5.01	-86.87
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1C	REAL300000452263	1	41	-2.0	-98.90	356.65	8.12	-90.78
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1)C(=O)[O-]	REAL300000452264	0	38	-2.0	-109.01	344.43	8.08	-100.93
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C=C1)C(=O)[O-]	REAL300000452265	0	36	-2.0	-99.11	356.06	7.65	-91.46
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1)C(=O)[O-]	REAL300000452266	1	42	-2.0	-117.50	374.25	8.98	-108.52
COC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=CS1	REAL300000452267	0	36	-2.0	-101.37	345.71	5.24	-96.13
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1)C(=O)[O-]	REAL300000452268	0	42	-2.0	-110.35	379.76	9.05	-101.30
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1)C(=O)[O-]	REAL300000452269	0	45	-2.0	-101.90	389.81	7.49	-94.41
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452270	0	44	-2.0	-110.89	386.17	6.70	-104.19
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C=C1)C(=O)[O-]	REAL300000452272	0	40	-2.0	-116.86	368.64	5.23	-111.63
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)O1	REAL300000452273	0	38	-2.0	-106.50	351.12	6.47	-100.03
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1)C(=O)[O-]	REAL300000452274	0	35	-2.0	-99.86	348.90	6.10	-93.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)S1	REAL300000452275	0	36	-2.0	-111.71	348.82	5.33	-106.38
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1)C(=O)[O-]	REAL300000452276	0	38	-2.0	-102.28	357.71	5.57	-96.71
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452277	1	45	-2.0	-109.00	401.96	7.57	-101.43
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1)C(=O)[O-]	REAL300000452278	1	38	-2.0	-102.35	345.09	7.71	-94.64
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1)C(=O)[O-]	REAL300000452279	0	38	-2.0	-104.39	350.42	7.14	-97.25
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1)C(=O)[O-]	REAL300000452280	1	37	-2.0	-101.51	354.40	6.19	-95.32
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=N1	REAL300000452281	0	37	-2.0	-111.34	345.74	3.74	-107.60
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1Cl	REAL300000452282	0	38	-2.0	-93.70	365.11	5.71	-87.99
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1)C(=O)[O-]	REAL300000452283	0	32	-2.0	-100.83	324.79	5.49	-95.34
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1)C(=O)[O-]	REAL300000452286	0	39	-2.0	-115.07	368.85	8.19	-106.88
CC1=COC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452287	0	35	-2.0	-97.05	328.04	5.45	-91.60
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=NN1	REAL300000452288	0	41	-2.0	-104.39	385.24	4.68	-99.71
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300000452289	0	34	-2.0	-92.75	342.67	5.51	-87.24
CC(SC1=CC=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C=C1)C(=O)[O-]	REAL300000452290	0	41	-2.0	-111.99	369.44	6.81	-105.18
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C=C1)C(=O)[O-]	REAL300000452291	1	42	-2.0	-104.02	377.16	8.56	-95.46
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C=C1)C(=O)[O-]	REAL300000452292	0	35	-2.0	-109.58	344.91	4.93	-104.65
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C=C1)C(=O)[O-]	REAL300000452293	0	33	-2.0	-115.69	326.85	5.34	-110.35
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452294	0	37	-2.0	-92.20	351.20	6.19	-86.01
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C(C2CC2)=N1	REAL300000452295	0	45	-2.0	-100.91	400.31	7.57	-93.34
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1)C(=O)[O-]	REAL300000452298	0	32	-2.0	-111.08	323.78	5.38	-105.70
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1)C(=O)[O-]	REAL300000452299	0	32	-2.0	-94.37	332.27	6.31	-88.06
CC(SC1=CC=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C=C1)C(=O)[O-]	REAL300000452300	0	43	-2.0	-101.86	377.33	4.62	-97.24
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1)C(=O)[O-]	REAL300000452301	1	42	-2.0	-104.03	367.00	8.96	-95.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C(C)=N1	REAL300000452303	1	41	-2.0	-94.03	366.30	4.24	-89.79
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452304	0	41	-2.0	-101.78	370.84	4.63	-97.15
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C1C	REAL300000452305	1	41	-2.0	-101.20	372.35	4.29	-96.91
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=N1	REAL300000452306	0	44	-2.0	-111.14	388.00	7.01	-104.13
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452307	0	44	-2.0	-112.72	390.45	6.55	-106.17
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C=C1)C(=O)[O-]	REAL300000452308	0	33	-2.0	-113.13	328.01	5.28	-107.85
CC(SC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C=C1)C(=O)[O-]	REAL300000452309	0	33	-2.0	-100.63	335.50	6.13	-94.50
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452310	0	41	-2.0	-95.97	366.37	5.98	-89.99
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1)C(=O)[O-]	REAL300000452311	0	42	-2.0	-100.24	377.25	6.98	-93.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=NN1C(C)C	REAL300000452313	0	44	-2.0	-99.76	387.95	6.54	-93.22
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1)C(=O)[O-]	REAL300000452314	0	37	-2.0	-109.26	352.37	5.89	-103.37
CC(SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1)C(=O)[O-]	REAL300000452316	1	36	-2.0	-100.91	334.48	3.93	-96.98
CC(SC1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1)C(=O)[O-]	REAL300000452317	0	31	-2.0	-89.52	309.10	4.39	-85.13
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)C(=O)[O-])C=C1	REAL300000452318	0	40	-2.0	-122.62	365.81	6.46	-116.16
CCC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000452319	0	40	-3.0	-160.12	374.04	7.35	-152.77
CCC1=C(S(=O)(=O)NC2=CC=C(SC(C)C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000452319	1	41	-2.0	-112.81	376.83	6.80	-106.01
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)C=C(Cl)S1	REAL300000452320	0	35	-2.0	-91.70	348.73	7.19	-84.51
CC(SC1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1)C(=O)[O-]	REAL300000452321	0	31	-2.0	-95.74	310.03	3.91	-91.83
CC(SC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1)C(=O)[O-]	REAL300000452322	0	42	-2.0	-98.13	369.17	6.11	-92.02
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(SC(C)C(=O)[O-])C=C2)=C1	REAL300000452323	0	38	-2.0	-120.24	351.94	7.60	-112.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCOCC2)C=C1	REAL300000452324	0	43	-2.0	-94.69	373.70	5.51	-89.18
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCOCC2)=C1	REAL300000452325	0	43	-2.0	-106.62	373.71	5.49	-101.13
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCOCC2)C=C1C(=O)[O-]	REAL300000452326	0	44	-2.0	-105.18	380.36	4.85	-100.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCOCC2)C=C(C(=O)[O-])O1	REAL300000452327	0	43	-2.0	-100.35	376.72	4.63	-95.72
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C=C2OC2CCOCC2)=C1	REAL300000452328	0	42	-2.0	-105.22	369.92	3.62	-101.60
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000452329	1	42	-2.0	-111.40	381.75	3.25	-108.15
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000452330	1	42	-2.0	-101.70	377.21	3.23	-98.47
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000452331	1	42	-2.0	-114.31	377.21	3.22	-111.09
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000452332	1	45	-2.0	-115.13	393.23	3.75	-111.38
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000452333	0	42	-2.0	-110.68	382.69	3.29	-107.39
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000452334	0	39	-2.0	-108.56	370.40	2.24	-106.32
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000452335	1	45	-2.0	-113.90	392.64	4.00	-109.90
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000452336	0	43	-2.0	-112.77	383.86	2.57	-110.20
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000452337	0	42	-2.0	-104.60	386.32	2.90	-101.70
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000452338	0	39	-2.0	-110.08	368.86	2.25	-107.83
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000452339	0	42	-2.0	-107.47	380.22	2.36	-105.11
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000452340	0	42	-2.0	-110.39	386.90	3.11	-107.28
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000452341	1	42	-2.0	-101.23	381.74	3.26	-97.97
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000452342	0	39	-2.0	-103.33	369.48	2.35	-100.98
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000452343	1	42	-2.0	-105.15	383.62	3.29	-101.86
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000452344	0	42	-2.0	-101.30	382.67	3.29	-98.01
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000452345	0	43	-2.0	-112.37	386.92	0.94	-111.43
COCCNC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000452345	1	43	-2.0	-113.05	386.03	1.81	-111.24
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000452346	1	45	-2.0	-104.33	399.40	4.00	-100.33
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000452347	1	45	-2.0	-111.16	387.28	3.86	-107.30
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000452348	1	45	-2.0	-101.64	392.62	3.98	-97.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCCOC)=C2)C=C1C(=O)[O-]	REAL300000452349	0	46	-2.0	-113.84	405.34	3.42	-110.42
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000452350	1	45	-2.0	-101.85	393.22	3.76	-98.09
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000452351	0	42	-2.0	-119.31	380.87	3.25	-116.06
COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000452352	0	41	-2.0	-109.92	374.20	1.27	-108.65
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCCOC)=C2)C=C(C(=O)[O-])O1	REAL300000452353	0	45	-2.0	-107.09	399.34	3.21	-103.88
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(Cl)C=C1Cl	REAL300000452356	1	29	-2.0	-91.22	321.83	1.89	-89.33
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(Cl)C=C1Cl	REAL300000452360	1	29	-2.0	-86.65	320.91	2.00	-84.65
NC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(Cl)C=C1Cl	REAL300000452361	0	31	-2.0	-93.61	324.85	0.99	-92.62
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1F	REAL300000452362	1	36	-2.0	-93.18	339.98	0.98	-92.20
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000452363	1	36	-2.0	-105.52	340.01	0.97	-104.55
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000452364	0	33	-2.0	-99.84	333.19	-0.01	-99.85
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000452365	0	37	-2.0	-103.92	346.66	0.33	-103.59
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000452366	0	33	-2.0	-100.33	331.66	-0.00	-100.33
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000452367	0	36	-2.0	-99.46	343.02	0.11	-99.35
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000452368	0	33	-2.0	-94.41	332.28	0.10	-94.31
CNS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000452369	0	35	-2.0	-102.77	336.23	-0.90	-103.67
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1C	REAL300000452370	1	45	-2.0	-88.92	393.53	4.57	-84.35
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000452371	1	38	-2.0	-105.28	341.61	6.01	-99.27
CCOC1=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=CC=C1C	REAL300000452372	0	46	-2.0	-106.53	396.69	7.08	-99.45
CCOC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000452374	1	38	-2.0	-107.94	337.08	5.97	-101.97
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1C	REAL300000452375	0	42	-2.0	-113.44	365.22	5.78	-107.66
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1C	REAL300000452376	1	42	-2.0	-94.96	368.53	7.28	-87.68
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1C	REAL300000452378	0	38	-2.0	-103.43	350.14	6.56	-96.87
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000452379	1	38	-2.0	-103.71	349.58	6.38	-97.33
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1C	REAL300000452380	1	44	-2.0	-110.92	369.76	7.33	-103.59
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C	REAL300000452381	0	38	-2.0	-105.09	342.55	6.05	-99.04
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C	REAL300000452382	1	44	-2.0	-94.23	380.64	7.56	-86.67
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C	REAL300000452383	0	35	-2.0	-102.08	330.26	5.00	-97.08
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1C	REAL300000452384	1	41	-2.0	-108.77	352.51	6.77	-102.00
CCOC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000452386	1	39	-2.0	-106.32	343.72	5.34	-100.98
CCOC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1C	REAL300000452388	0	38	-2.0	-98.18	346.20	5.67	-92.51
CCOC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C	REAL300000452390	0	35	-2.0	-103.59	328.73	5.02	-98.57
CCOC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=CC=C1C	REAL300000452391	1	46	-2.0	-108.11	395.42	5.80	-102.31
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1C	REAL300000452393	1	48	-2.0	-112.76	392.32	8.61	-104.15
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1C	REAL300000452394	1	47	-2.0	-111.09	390.98	7.98	-103.11
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=CC=C1C	REAL300000452395	1	44	-2.0	-107.08	367.23	7.70	-99.38
CCOC1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=CC=C1C	REAL300000452396	0	45	-2.0	-114.22	387.50	6.55	-107.67
CCOC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000452397	0	41	-2.0	-109.95	372.19	6.41	-103.54
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000452397	1	40	-3.0	-183.01	365.49	6.55	-176.46
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1C	REAL300000452398	1	45	-2.0	-113.03	381.34	7.88	-105.15
CCOC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1C	REAL300000452399	0	38	-2.0	-101.57	340.08	5.12	-96.45
CCOC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1C	REAL300000452400	1	44	-2.0	-112.77	379.24	5.76	-107.01
CCOC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1C	REAL300000452401	0	42	-2.0	-109.08	366.06	5.07	-104.01
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1C	REAL300000452403	0	38	-2.0	-100.01	354.66	6.58	-93.43
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CC=C1C	REAL300000452404	1	42	-2.0	-92.09	384.17	6.81	-85.28
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C	REAL300000452406	1	41	-2.0	-99.18	357.79	6.80	-92.38
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1C	REAL300000452407	1	42	-2.0	-93.11	374.37	6.33	-86.78
CCOC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1C	REAL300000452409	1	38	-2.0	-105.07	345.68	5.87	-99.20
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C	REAL300000452410	0	38	-2.0	-92.80	350.13	6.55	-86.25
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C	REAL300000452411	1	38	-2.0	-94.69	341.60	6.02	-88.67
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C	REAL300000452412	0	35	-2.0	-96.92	329.35	5.11	-91.81
CCOC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000452413	1	38	-2.0	-98.69	343.48	6.05	-92.64
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1C	REAL300000452414	0	41	-2.0	-106.59	362.85	6.69	-99.90
CCOC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=CC=C1C	REAL300000452415	0	42	-2.0	-97.46	377.38	6.60	-90.86
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C	REAL300000452416	0	38	-2.0	-94.72	342.54	6.06	-88.66
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C	REAL300000452417	1	38	-2.0	-92.78	349.57	6.39	-86.39
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1C	REAL300000452418	1	41	-2.0	-100.88	366.52	7.19	-93.69
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1C	REAL300000452419	1	46	-2.0	-91.70	400.81	7.40	-84.30
CCOC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000452420	1	38	-2.0	-96.72	347.89	6.08	-90.64
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C	REAL300000452421	0	40	-2.0	-92.78	365.26	6.65	-86.13
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C	REAL300000452422	0	39	-2.0	-107.56	346.79	3.69	-103.87
CCOC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C	REAL300000452422	1	39	-2.0	-104.01	335.80	4.59	-99.42
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C	REAL300000452423	1	41	-2.0	-98.85	359.24	6.76	-92.09
CCOC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000452424	1	38	-2.0	-98.22	357.78	6.52	-91.70
CCOC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C	REAL300000452425	1	41	-2.0	-104.24	346.62	6.65	-97.59
CCOC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000452426	1	41	-2.0	-106.60	361.92	6.64	-99.96
CCOC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1C	REAL300000452429	0	40	-2.0	-105.96	363.63	7.07	-98.89
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1C	REAL300000452430	0	38	-2.0	-96.63	348.83	6.11	-90.52
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1C	REAL300000452432	0	41	-2.0	-107.44	362.40	6.68	-100.76
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1C	REAL300000452433	0	41	-2.0	-105.26	368.82	7.12	-98.14
CCOC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1C	REAL300000452434	0	41	-2.0	-112.96	362.11	6.68	-106.28
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=CC=C1C	REAL300000452435	1	44	-2.0	-109.89	371.31	7.17	-102.72
CCOC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1C	REAL300000452437	1	41	-2.0	-97.32	363.34	7.16	-90.16
CCOC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000452438	1	41	-2.0	-105.51	368.31	6.94	-98.57
CCOC1=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=CC=C1C	REAL300000452439	1	42	-2.0	-107.60	365.09	6.20	-101.40
CCOC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000452441	1	41	-2.0	-102.41	370.81	7.05	-95.36
CCOC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1C	REAL300000452442	0	47	-2.0	-104.92	386.52	8.12	-96.80
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=CC=C1C	REAL300000452443	0	42	-2.0	-108.96	377.40	6.61	-102.35
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1C	REAL300000452445	0	43	-2.0	-100.75	380.34	8.18	-92.57
CCOC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1C	REAL300000452447	0	40	-2.0	-115.27	360.80	7.83	-107.44
CCOC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C	REAL300000452448	0	38	-2.0	-112.20	340.73	6.02	-106.18
CCOC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000452449	1	41	-2.0	-100.46	362.01	6.66	-93.80
CCOC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C	REAL300000452450	1	44	-2.0	-116.33	378.12	8.10	-108.23
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C	REAL300000452451	0	37	-2.0	-104.98	334.06	4.04	-100.94
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1C	REAL300000452452	0	42	-2.0	-99.64	365.28	5.78	-93.86
CCOC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1C	REAL300000452453	0	35	-2.0	-95.44	337.22	4.96	-90.48
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C	REAL300000452454	1	45	-2.0	-101.94	383.20	7.87	-94.07
CCOC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C	REAL300000452455	1	45	-2.0	-105.67	382.51	7.87	-97.80
CCOC1=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=CC=C1C	REAL300000452456	0	41	-2.0	-101.43	359.21	5.97	-95.46
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=C1	REAL300000452457	1	31	-2.0	-100.64	317.05	4.24	-96.40
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)C=C1	REAL300000452458	1	31	-2.0	-96.51	317.04	4.23	-92.28
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1N	REAL300000452459	0	31	-2.0	-111.01	314.32	4.11	-106.90
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1N	REAL300000452460	0	33	-2.0	-98.67	312.46	1.66	-97.01
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1N	REAL300000452461	0	32	-2.0	-94.06	311.14	2.76	-91.30
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=C1	REAL300000452462	1	33	-2.0	-104.39	317.63	4.52	-99.87
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=C1	REAL300000452464	1	36	-2.0	-103.88	332.35	5.30	-98.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)C=C1C	REAL300000452465	1	36	-2.0	-105.24	334.65	5.05	-100.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)C(C)=C1	REAL300000452466	1	36	-2.0	-103.52	333.13	5.27	-98.25
NC1=C([N-]S(=O)(=O)C2=CC=CS2)C=C(Br)C=C1C(=O)[O-]	REAL300000452467	0	27	-2.0	-101.65	288.14	2.84	-98.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)C=C1	REAL300000452468	1	33	-2.0	-103.77	317.64	4.51	-99.26
NC1=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000452469	0	30	-2.0	-100.38	302.61	3.91	-96.47
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000452470	1	30	-2.0	-103.47	295.45	3.85	-99.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)S1	REAL300000452472	0	30	-2.0	-102.68	310.04	3.64	-99.04
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)C=C1	REAL300000452474	1	36	-2.0	-103.26	339.12	5.27	-97.99
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000452475	1	30	-2.0	-96.72	302.62	3.91	-92.81
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C(Br)C=C1C(=O)[O-]	REAL300000452476	0	30	-2.0	-107.64	301.72	3.90	-103.74
CN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)C=N1	REAL300000452477	0	30	-2.0	-100.60	300.77	1.55	-99.05
NC1=C([N-]S(=O)(=O)C2=CNN=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000452479	0	27	-2.0	-98.18	277.79	0.23	-97.95
NC1=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000452480	0	29	-2.0	-94.71	297.61	2.11	-92.60
CN1C=NC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=C1	REAL300000452481	0	30	-2.0	-110.67	300.23	2.94	-107.73
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)C=N1	REAL300000452482	0	30	-2.0	-93.30	312.18	2.36	-90.94
CC1=NC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=CN1C	REAL300000452483	0	33	-2.0	-113.18	319.92	2.73	-110.45
CCN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)C=N1	REAL300000452484	0	33	-2.0	-100.74	322.28	2.42	-98.32
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1N	REAL300000452485	0	30	-2.0	-98.82	296.62	0.90	-97.92
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1N	REAL300000452486	1	33	-2.0	-103.36	311.71	4.60	-98.76
CN1C=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=N1	REAL300000452488	0	30	-2.0	-109.35	301.23	1.38	-107.97
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1N	REAL300000452489	0	30	-2.0	-95.63	296.52	1.47	-94.16
NC1=C([N-]S(=O)(=O)C2=CNC=N2)C=C(Br)C=C1C(=O)[O-]	REAL300000452494	0	27	-2.0	-108.86	277.52	1.22	-107.64
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)SC=C1	REAL300000452496	0	30	-2.0	-102.80	304.51	3.66	-99.14
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=C1	REAL300000452504	1	36	-2.0	-104.61	339.11	5.28	-99.33
CC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)S1	REAL300000452507	0	29	-2.0	-99.53	304.74	1.66	-97.87
CC1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=C(C)O1	REAL300000452512	0	33	-2.0	-101.18	319.18	3.42	-97.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)O1	REAL300000452513	0	30	-2.0	-102.50	300.81	2.65	-99.85
NC1=C([N-]S(=O)(=O)C2=CC=CO2)C=C(Br)C=C1C(=O)[O-]	REAL300000452515	0	27	-2.0	-101.45	278.90	1.84	-99.61
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1N	REAL300000452516	0	29	-2.0	-92.19	290.63	0.25	-91.94
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1N	REAL300000452517	1	36	-2.0	-101.83	326.34	5.58	-96.25
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)C(N)=NO1	REAL300000452521	0	31	-2.0	-94.03	303.75	1.20	-92.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)C=N1	REAL300000452523	0	32	-2.0	-100.73	312.82	2.68	-98.05
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)N(C)N=C1	REAL300000452526	0	33	-2.0	-96.38	313.10	2.30	-94.08
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)O1	REAL300000452527	0	28	-2.0	-95.19	300.14	2.39	-92.80
NC1=C([N-]S(=O)(=O)C2=CSC=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000452528	0	27	-2.0	-99.84	287.33	2.75	-97.09
NC1=C([N-]S(=O)(=O)C2=COC=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000452529	0	27	-2.0	-100.19	278.74	1.72	-98.47
CC1=CSC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=C1	REAL300000452530	0	30	-2.0	-101.77	309.85	3.50	-98.27
NC1=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C(Br)C=C1C(=O)[O-]	REAL300000452531	0	27	-2.0	-99.12	294.51	0.65	-98.47
CC1=NSC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=C1	REAL300000452532	0	29	-2.0	-95.93	303.94	2.15	-93.78
NC1=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C(Br)C=C1C(=O)[O-]	REAL300000452534	0	27	-2.0	-104.11	294.57	2.88	-101.23
NC1=C([N-]S(=O)(=O)C2=NC=CN2)C=C(Br)C=C1C(=O)[O-]	REAL300000452537	0	27	-2.0	-104.70	277.83	0.41	-104.29
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)C=NN1C	REAL300000452540	0	33	-2.0	-101.29	316.90	2.08	-99.21
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)C=C1	REAL300000452541	1	34	-2.0	-103.65	327.30	4.93	-98.72
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1N	REAL300000452542	0	33	-2.0	-101.53	319.61	2.20	-99.33
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=C1	REAL300000452543	0	30	-2.0	-94.46	312.09	2.44	-92.02
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1N	REAL300000452548	0	29	-2.0	-94.01	293.18	1.79	-92.22
NC1=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C(Br)C=C1C(=O)[O-]	REAL300000452549	0	29	-2.0	-105.29	296.72	2.02	-103.27
NC1=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000452551	0	29	-2.0	-93.81	297.61	1.99	-91.82
CC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)N1C	REAL300000452554	0	33	-2.0	-100.47	315.37	2.88	-97.59
NC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)C=N1	REAL300000452556	0	30	-2.0	-96.18	301.40	1.20	-94.98
NC1=C([N-]S(=O)(=O)C2=CC=NS2)C=C(Br)C=C1C(=O)[O-]	REAL300000452557	0	26	-2.0	-95.93	283.03	1.55	-94.38
CN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)N=N1	REAL300000452558	0	29	-2.0	-104.83	295.01	0.16	-104.67
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1N	REAL300000452559	0	32	-2.0	-91.25	311.46	1.16	-90.09
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)N=CN1	REAL300000452560	0	30	-2.0	-110.09	295.32	1.94	-108.15
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1N	REAL300000452562	1	36	-2.0	-103.07	325.52	5.55	-97.52
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=C1	REAL300000452563	0	33	-2.0	-96.14	317.38	2.11	-94.03
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=C1C	REAL300000452564	1	36	-2.0	-103.89	327.94	5.17	-98.72
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)O1	REAL300000452566	0	33	-2.0	-102.49	322.30	3.44	-99.05
CCN1N=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=N1	REAL300000452567	0	32	-2.0	-100.58	316.92	0.72	-99.86
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C(Br)C=C1C(=O)[O-]	REAL300000452568	0	27	-2.0	-96.78	295.96	2.45	-94.33
CC1=COC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)=C1	REAL300000452569	0	30	-2.0	-101.81	300.81	2.52	-99.29
N#CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)OC=C1	REAL300000452570	0	28	-2.0	-102.32	300.38	2.28	-100.04
NC1=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000452571	0	27	-2.0	-99.57	294.96	2.35	-97.22
N#CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2N)C=CO1	REAL300000452572	0	28	-2.0	-103.01	299.24	2.24	-100.77
NC1=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000452573	1	31	-2.0	-103.85	307.22	0.99	-102.86
NC1=C([N-]S(=O)(=O)C2=CSN=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000452574	0	26	-2.0	-94.18	281.86	1.43	-92.75
NC1=C([N-]S(=O)(=O)C2=CN=CS2)C=C(Br)C=C1C(=O)[O-]	REAL300000452575	0	26	-2.0	-98.39	282.80	0.96	-97.43
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000452576	1	39	-2.0	-90.63	363.02	4.85	-85.78
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000452577	1	32	-2.0	-104.01	311.11	6.29	-97.72
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC#N	REAL300000452578	0	40	-2.0	-104.96	366.20	7.35	-97.61
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000452579	1	32	-2.0	-96.92	306.56	6.26	-90.66
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000452580	1	32	-2.0	-106.45	306.57	6.26	-100.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC#N	REAL300000452581	0	36	-2.0	-111.54	334.72	6.06	-105.48
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000452582	1	32	-2.0	-102.16	322.82	6.75	-95.41
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000452583	1	36	-2.0	-96.62	338.02	7.56	-89.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C1C(=O)[O-]	REAL300000452584	1	35	-2.0	-107.53	322.61	6.80	-100.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)=C1C	REAL300000452585	1	38	-2.0	-108.81	339.70	7.60	-101.21
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000452586	0	32	-2.0	-105.01	312.05	6.33	-98.68
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000452587	1	38	-2.0	-95.36	350.15	7.84	-87.52
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000452588	0	29	-2.0	-101.90	299.76	5.28	-96.62
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC#N	REAL300000452589	1	35	-2.0	-107.06	322.01	7.06	-100.00
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000452590	1	36	-2.0	-94.76	337.64	6.55	-88.21
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000452591	1	43	-2.0	-91.71	383.41	7.32	-84.39
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C1C(=O)[O-]	REAL300000452592	0	33	-2.0	-105.30	313.23	5.60	-99.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)=C1	REAL300000452594	0	32	-2.0	-101.05	315.73	5.95	-95.10
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C1C(=O)[O-]	REAL300000452595	1	38	-2.0	-108.20	338.01	7.57	-100.63
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000452596	0	29	-2.0	-102.93	298.23	5.30	-97.63
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)=CC(C(=O)[O-])=C1OC	REAL300000452597	1	40	-2.0	-107.20	364.91	6.07	-101.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C1C(=O)[O-]	REAL300000452598	1	36	-2.0	-112.15	333.83	6.33	-105.82
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000452599	1	42	-2.0	-110.59	361.81	8.89	-101.70
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC#N	REAL300000452600	1	41	-2.0	-108.37	360.48	8.26	-100.11
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC#N	REAL300000452601	1	38	-2.0	-105.09	328.58	7.70	-97.39
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC#N	REAL300000452602	0	39	-2.0	-111.40	357.00	6.83	-104.57
N#CCC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000452603	0	35	-2.0	-122.31	333.53	6.75	-115.56
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000452603	1	34	-3.0	-185.64	334.97	6.83	-178.81
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000452604	1	39	-2.0	-111.01	350.82	8.16	-102.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C(C(=O)[O-])O1	REAL300000452605	0	32	-2.0	-101.17	309.56	5.40	-95.77
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000452606	1	38	-2.0	-116.82	348.75	6.04	-110.78
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)=C1	REAL300000452607	0	36	-2.0	-112.49	335.54	5.35	-107.14
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000452608	1	40	-2.0	-93.82	359.49	6.86	-86.96
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000452609	1	32	-2.0	-96.86	334.24	7.11	-89.75
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000452610	1	36	-2.0	-93.92	353.67	7.09	-86.83
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)=CC=C1OCC(=O)[O-]	REAL300000452611	1	39	-2.0	-95.18	357.73	7.25	-87.93
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000452612	1	42	-2.0	-94.82	386.31	7.51	-87.31
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC#N	REAL300000452613	1	35	-2.0	-98.57	327.29	7.09	-91.48
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)=CC=C1OCCCC(=O)[O-]	REAL300000452614	1	45	-2.0	-95.22	400.18	8.18	-87.04
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000452615	1	36	-2.0	-95.13	343.87	6.61	-88.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C1C(=O)[O-]	REAL300000452616	1	39	-2.0	-119.01	355.72	7.24	-111.77
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C(C(=O)[O-])S1	REAL300000452617	0	32	-2.0	-104.02	315.20	6.15	-97.87
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000452618	0	32	-2.0	-97.18	334.80	7.28	-89.90
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000452619	0	32	-2.0	-94.41	319.62	6.82	-87.59
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000452620	0	32	-2.0	-93.62	322.97	6.96	-86.66
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000452621	1	32	-2.0	-97.04	311.09	6.30	-90.74
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000452622	0	29	-2.0	-99.80	298.83	5.39	-94.41
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000452623	1	32	-2.0	-102.59	312.99	6.33	-96.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)=C1F	REAL300000452624	0	35	-2.0	-106.37	332.32	6.96	-99.41
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)=C(Cl)C=C1C(=O)[O-]	REAL300000452625	0	36	-2.0	-99.12	346.88	6.88	-92.24
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000452626	0	32	-2.0	-96.83	312.03	6.33	-90.50
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000452627	1	32	-2.0	-94.81	319.06	6.67	-88.14
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC#N	REAL300000452628	1	35	-2.0	-100.05	336.04	7.47	-92.58
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000452629	1	40	-2.0	-93.21	370.32	7.66	-85.55
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000452630	1	32	-2.0	-94.33	322.80	6.76	-87.57
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000452631	0	34	-2.0	-96.39	334.76	6.93	-89.46
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000452632	0	33	-2.0	-106.47	316.29	3.98	-102.49
N#CCC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000452632	1	33	-2.0	-104.80	307.51	4.79	-100.01
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000452633	1	35	-2.0	-100.41	328.75	7.04	-93.37
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000452634	1	32	-2.0	-97.71	327.27	6.79	-90.92
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CC#N	REAL300000452635	1	35	-2.0	-107.67	316.61	6.91	-100.76
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)=CC(C(=O)[O-])=C1F	REAL300000452636	1	35	-2.0	-111.24	331.41	6.91	-104.33
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CC#N	REAL300000452637	1	35	-2.0	-96.23	321.99	7.03	-89.20
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)=CC(C(=O)[O-])=C1C	REAL300000452638	1	38	-2.0	-109.41	339.45	7.33	-102.08
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000452639	0	34	-2.0	-104.50	333.13	7.36	-97.14
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000452640	0	32	-2.0	-97.47	318.31	6.39	-91.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C(C)=C1C(=O)[O-]	REAL300000452641	1	38	-2.0	-111.74	341.03	7.64	-104.10
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C1C(=O)[O-]	REAL300000452642	0	35	-2.0	-105.94	328.05	6.86	-99.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)=C1Cl	REAL300000452643	0	35	-2.0	-104.58	338.38	7.40	-97.18
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)=C1	REAL300000452644	0	35	-2.0	-117.02	331.59	6.96	-110.06
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C1C(=O)[O-]	REAL300000452645	1	38	-2.0	-108.14	340.53	7.45	-100.69
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C1CC(=O)[O-]	REAL300000452646	1	39	-2.0	-108.50	357.01	6.40	-102.10
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC#N	REAL300000452647	1	35	-2.0	-100.67	333.37	7.41	-93.26
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000452648	1	35	-2.0	-94.00	336.68	7.08	-86.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)=CC(C(=O)[O-])=C1Cl	REAL300000452649	1	35	-2.0	-109.92	337.82	7.22	-102.70
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000452650	1	32	-2.0	-104.54	327.88	6.87	-97.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C1C(=O)[O-]	REAL300000452651	0	36	-2.0	-106.49	334.58	6.48	-100.01
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000452652	0	32	-2.0	-96.00	332.17	6.82	-89.18
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C1C(=O)[O-]	REAL300000452653	1	35	-2.0	-100.41	336.46	7.23	-93.18
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C1C(=O)[O-]	REAL300000452654	0	36	-2.0	-108.18	346.90	6.89	-101.29
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)=CC=C1C(=O)[O-]	REAL300000452655	1	35	-2.0	-98.23	326.62	6.91	-91.32
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000452656	0	37	-2.0	-102.31	349.82	8.47	-93.84
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CC#N	REAL300000452657	1	35	-2.0	-104.51	326.51	7.08	-97.43
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000452658	0	34	-2.0	-119.28	330.30	8.11	-111.17
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000452659	0	32	-2.0	-116.25	310.21	6.28	-109.97
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C1C(=O)[O-]	REAL300000452660	1	35	-2.0	-98.89	327.75	6.83	-92.06
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000452661	1	38	-2.0	-120.97	347.62	8.38	-112.59
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000452662	0	31	-2.0	-109.09	302.79	4.38	-104.71
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CC#N	REAL300000452663	0	36	-2.0	-99.84	334.77	6.06	-93.78
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000452664	0	29	-2.0	-96.39	306.68	5.24	-91.15
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000452665	1	39	-2.0	-101.70	352.69	8.15	-93.55
N#CCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000452666	1	39	-2.0	-107.52	350.66	8.12	-99.40
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CC#N)C=C(C(=O)[O-])O1	REAL300000452667	0	35	-2.0	-100.19	327.20	6.16	-94.03
CC1=N[N-]C(=S)N1C1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000452668	0	38	-2.0	-118.87	367.24	7.57	-111.30
CC1=N[N-]C(=S)N1C1=CC=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000452669	0	38	-2.0	-108.23	367.36	7.56	-100.67
CC1=N[N-]C(=S)N1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000452670	0	34	-3.0	-176.27	354.03	6.71	-169.56
CC1=NNC(=S)N1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000452670	1	35	-2.0	-110.39	357.93	6.90	-103.49
CC1=N[N-]C(=S)N1C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000452672	0	34	-3.0	-173.50	352.50	6.72	-166.78
CC1=N[N-]C(=S)N1C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1	REAL300000452673	0	37	-3.0	-172.94	363.85	6.82	-166.12
CC1=NNC(=S)N1C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1	REAL300000452673	1	38	-2.0	-106.00	367.78	7.02	-98.98
CC1=N[N-]C(=S)N1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000452674	0	34	-3.0	-167.39	353.11	6.82	-160.57
CC1=NNC(=S)N1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000452674	1	35	-2.0	-104.38	357.03	7.01	-97.37
CC1=N[N-]C(=S)N1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000452675	0	36	-3.0	-166.74	357.06	5.82	-160.92
CC1=NNC(=S)N1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000452675	1	37	-2.0	-104.12	361.24	5.90	-98.22
O=C([O-])C1=CC=CC2=C1N(S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)CC2	REAL300000452681	0	35	-2.0	-117.66	319.74	7.70	-109.96
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=CC=C1F	REAL300000452691	0	35	-2.0	-133.29	317.59	8.75	-124.54
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1	REAL300000452701	0	35	-2.0	-120.39	314.72	8.57	-111.82
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000452707	0	35	-2.0	-133.67	314.75	8.55	-125.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000452727	0	39	-2.0	-151.50	328.38	7.78	-143.72
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1	REAL300000452728	0	39	-2.0	-113.81	337.66	9.44	-104.37
CC1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1C(=O)[O-]	REAL300000452732	0	38	-2.0	-138.17	330.04	9.17	-129.00
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000452744	0	35	-2.0	-139.89	309.39	8.46	-131.43
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=CC=C1Cl	REAL300000452745	0	35	-2.0	-131.45	325.56	9.11	-122.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1C	REAL300000452761	0	41	-2.0	-155.63	328.60	9.19	-146.44
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000452765	0	35	-2.0	-139.35	306.35	8.15	-131.20
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1	REAL300000452770	0	41	-2.0	-114.80	349.75	9.74	-105.06
O=C([O-])C1=CSC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000452778	0	32	-2.0	-113.26	296.75	7.42	-105.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000452781	0	38	-2.0	-138.24	325.07	9.46	-128.78
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1	REAL300000452795	0	39	-2.0	-115.30	337.26	8.43	-106.87
CN1C=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1C(=O)[O-]	REAL300000452827	0	36	-2.0	-145.36	311.96	7.66	-137.70
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000452831	0	39	-2.0	-139.23	333.79	7.48	-131.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000452851	0	35	-2.0	-123.61	312.82	8.07	-115.54
CC1=CC(C)=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1C(=O)[O-]	REAL300000452854	0	41	-2.0	-154.36	327.34	9.18	-145.18
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=CS1	REAL300000452874	0	32	-2.0	-112.68	296.36	7.35	-105.33
COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1C(=O)[O-]	REAL300000452878	0	39	-2.0	-141.55	340.35	8.78	-132.77
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000452884	0	44	-2.0	-154.10	347.53	9.69	-144.41
CC1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000452891	1	36	-2.0	-126.35	299.63	6.49	-119.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000452892	0	41	-2.0	-123.87	341.53	9.93	-113.94
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000452894	0	42	-2.0	-147.67	350.69	8.56	-139.11
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=CC(C(=O)[O-])=C1	REAL300000452895	0	37	-3.0	-214.28	333.75	8.80	-205.48
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000452897	0	42	-2.0	-156.56	341.51	9.77	-146.79
CC1=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C(C(=O)[O-])O1	REAL300000452904	0	35	-2.0	-142.90	302.93	7.18	-135.72
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000452918	0	39	-2.0	-116.45	327.78	7.22	-109.23
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C(Cl)C=C1F	REAL300000452921	0	35	-2.0	-137.65	314.22	8.47	-129.18
CC1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=CC=C1OCC(=O)[O-]	REAL300000452929	0	42	-2.0	-121.78	365.89	9.53	-112.25
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000452939	0	38	-2.0	-141.15	316.97	8.67	-132.48
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1F	REAL300000452942	0	39	-2.0	-119.63	342.64	8.60	-111.03
CCOC1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1C(=O)[O-]	REAL300000452950	0	42	-2.0	-136.77	362.19	9.69	-127.08
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)S1	REAL300000452961	1	38	-2.0	-121.90	332.20	4.90	-117.00
CC1=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C(C(=O)[O-])S1	REAL300000452976	0	35	-2.0	-148.66	306.89	7.88	-140.78
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C(Cl)=C1	REAL300000453019	0	35	-2.0	-113.81	309.35	8.45	-105.36
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1F	REAL300000453020	0	35	-2.0	-119.92	317.60	8.76	-111.16
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)S1	REAL300000453027	0	32	-2.0	-121.94	295.96	7.52	-114.42
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000453029	0	35	-2.0	-136.99	311.75	8.32	-128.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1F	REAL300000453030	0	38	-2.0	-139.98	326.81	8.74	-131.24
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C(F)=C1	REAL300000453033	0	35	-2.0	-113.17	306.30	8.16	-105.01
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1Cl	REAL300000453034	0	35	-2.0	-117.68	325.57	9.12	-108.56
CC(=O)NC1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=CC=C1[O-]	REAL300000453042	1	40	-2.0	-133.11	348.54	5.00	-128.11
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000453045	0	38	-2.0	-143.18	325.74	9.07	-134.11
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=CC(F)=C1F	REAL300000453053	0	35	-2.0	-108.70	316.13	8.35	-100.35
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000453054	0	37	-2.0	-107.38	333.51	8.92	-98.46
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000453067	0	35	-3.0	-228.34	306.39	6.41	-221.93
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000453067	1	36	-2.0	-147.35	308.38	5.76	-141.59
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1	REAL300000453069	0	38	-2.0	-119.53	328.35	8.93	-110.60
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=CC(Cl)=C1F	REAL300000453094	0	35	-2.0	-108.28	326.02	8.79	-99.49
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000453100	0	38	-2.0	-113.10	306.27	8.53	-104.57
CC1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=CC(C(=O)[O-])=C1F	REAL300000453103	0	38	-2.0	-112.74	330.16	8.92	-103.82
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000453104	0	38	-2.0	-124.41	311.54	8.63	-115.78
CC1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=CC(C(=O)[O-])=C1C	REAL300000453109	0	41	-2.0	-117.13	337.98	9.40	-107.73
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=CC=C1[N+](=O)[O-]	REAL300000453112	0	37	-2.0	-136.46	339.56	9.79	-126.67
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000453115	0	35	-2.0	-128.34	312.62	8.20	-120.14
CC1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C(C)=C1C(=O)[O-]	REAL300000453121	0	41	-2.0	-117.56	330.56	9.27	-108.29
CC1=CC(F)=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1C(=O)[O-]	REAL300000453122	0	38	-2.0	-140.59	322.22	8.66	-131.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1Cl	REAL300000453123	0	38	-2.0	-142.19	328.18	9.04	-133.15
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000453124	0	38	-2.0	-115.01	325.92	8.76	-106.25
CCC1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1C(=O)[O-]	REAL300000453130	0	41	-2.0	-139.71	347.35	9.89	-129.82
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000453135	0	38	-2.0	-129.30	316.45	7.80	-121.50
COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1CC(=O)[O-]	REAL300000453143	0	42	-2.0	-130.24	365.21	8.67	-121.57
COC1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000453145	1	37	-2.0	-129.04	307.48	5.12	-123.92
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000453161	0	38	-2.0	-109.70	322.66	9.03	-100.67
CC1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=CC(C(=O)[O-])=C1Cl	REAL300000453165	0	38	-2.0	-111.45	336.53	9.22	-102.23
CCN1C=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1C(=O)[O-]	REAL300000453169	0	39	-2.0	-116.76	333.41	8.43	-108.33
CC1=C(Cl)C=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1C(=O)[O-]	REAL300000453240	0	38	-2.0	-111.52	338.62	9.30	-102.22
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)S1	REAL300000453244	1	35	-2.0	-119.47	316.72	4.20	-115.27
CC1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=CC=C1C(=O)[O-]	REAL300000453282	0	38	-2.0	-118.36	321.37	8.70	-109.66
O=C([O-])C1=CC=CC2=C1N(S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])CC2	REAL300000453314	0	36	-2.0	-118.18	316.96	6.83	-111.35
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000453327	0	38	-2.0	-151.50	315.93	8.68	-142.82
O=C([O-])C1=CC=CC2=C1N(S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])CC2	REAL300000453329	0	37	-2.0	-140.42	331.76	10.08	-130.34
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1F	REAL300000453364	0	35	-2.0	-113.65	304.61	8.10	-105.55
CC1=C(F)C=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C1C(=O)[O-]	REAL300000453386	0	38	-2.0	-122.06	336.86	9.49	-112.57
O=C([O-])C1=CC=CC2=C1N(S(=O)(=O)C1=CC([O-])=CC(C(F)(F)F)=C1)CC2	REAL300000453395	1	36	-2.0	-115.07	323.06	6.60	-108.47
O=C([O-])C1=CC=CC2=C1N(S(=O)(=O)C1=CC3=CC=CC=C3C(C(=O)[O-])=C1)CC2	REAL300000453444	0	41	-2.0	-161.06	346.34	10.38	-150.68
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C1	REAL300000453454	0	34	-2.0	-116.64	302.16	7.55	-109.09
O=C([O-])C1=CC=CC2=C1N(S(=O)(=O)C1=CC(F)=CC=C1[O-])CC2	REAL300000453472	0	33	-2.0	-121.47	284.40	5.89	-115.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000453489	0	39	-2.0	-122.95	328.41	7.78	-115.17
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)=C(Cl)O1	REAL300000453494	0	32	-2.0	-129.67	300.15	7.05	-122.62
O=C([O-])C1=CC=CC2=C1N(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300000453503	0	33	-2.0	-114.48	310.77	6.88	-107.60
O=C([O-])C1=CC=CC2=C1N(S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl)CC2	REAL300000453631	0	33	-2.0	-115.22	304.52	6.38	-108.84
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)S1	REAL300000453646	1	41	-2.0	-122.38	352.51	5.73	-116.65
O=C([O-])C1=CC=CC2=C1N(S(=O)(=O)C1=CC=C(C3(C(=O)[O-])CC3)C=C1)CC2	REAL300000453676	0	42	-2.0	-131.60	352.32	10.03	-121.57
O=C([O-])C1=CC=CC2=C1N(S(=O)(=O)C1=CC=C3CC(C(=O)[O-])CC3=C1)CC2	REAL300000453688	0	42	-2.0	-121.79	350.80	10.14	-111.65
CCC1=C(S(=O)(=O)N2CCC3=CC=CC(C(=O)[O-])=C32)C=C(C(=O)[O-])O1	REAL300000453698	0	38	-2.0	-125.70	330.77	8.45	-117.25
O=C([O-])C1=CC=CC=C1N(CCO)S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000453709	0	38	-2.0	-101.65	339.52	5.54	-96.11
O=C([O-])C1=CC(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=CC=C1F	REAL300000453714	0	38	-2.0	-114.90	339.05	6.41	-108.49
O=C([O-])C1=CC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000453720	0	38	-2.0	-104.38	336.12	5.80	-98.58
O=C([O-])C1=CC=CC(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000453726	0	38	-2.0	-114.46	334.52	6.38	-108.08
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CCO)C1=CC=CC=C1C(=O)[O-]	REAL300000453746	0	42	-2.0	-123.84	351.86	6.13	-117.71
O=C([O-])C=CC1=CC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000453747	0	42	-2.0	-107.77	365.95	7.68	-100.09
CC1=CC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000453751	0	41	-2.0	-116.06	354.59	7.02	-109.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C1C	REAL300000453774	0	44	-2.0	-111.85	366.96	7.76	-104.09
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000453776	0	38	-2.0	-116.10	340.23	5.12	-110.98
O=C([O-])CCC1=CC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000453781	0	44	-2.0	-107.28	378.07	7.96	-99.32
O=C([O-])C1=CSC(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000453788	0	35	-2.0	-110.59	333.44	4.30	-106.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CCO)C1=CC=CC=C1C(=O)[O-]	REAL300000453790	0	41	-2.0	-122.57	345.57	5.44	-117.13
O=C([O-])COC1=CC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000453800	0	42	-2.0	-105.94	365.57	6.67	-99.27
CN1C=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000453821	0	39	-2.0	-112.54	341.16	5.75	-106.79
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N(CCO)C1=CC=CC=C1C(=O)[O-]	REAL300000453824	0	42	-2.0	-111.37	358.03	5.30	-106.07
CC1=C(C(=O)[O-])SC(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000453839	0	38	-2.0	-106.80	343.65	6.08	-100.72
CC1=CC(C)=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000453842	0	44	-2.0	-124.85	365.80	6.08	-118.77
O=C([O-])C1=CC(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=CS1	REAL300000453854	0	35	-2.0	-112.33	326.17	5.42	-106.91
COC1=CC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000453855	0	42	-2.0	-121.94	361.80	6.45	-115.49
CC1=CC=C([O-])C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000453861	1	39	-2.0	-123.02	333.19	4.06	-118.96
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CCO)C1=CC=CC=C1C(=O)[O-]	REAL300000453863	0	44	-2.0	-123.23	363.19	6.24	-116.99
CC1=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000453869	0	38	-2.0	-115.07	330.39	5.68	-109.39
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000453875	0	42	-2.0	-112.02	362.93	4.33	-107.69
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(CCO)C1=CC=CC=C1C(=O)[O-]	REAL300000453889	0	41	-2.0	-103.16	354.56	7.27	-95.89
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])S1	REAL300000453903	1	41	-2.0	-107.81	365.22	1.70	-106.11
CC1=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000453914	0	38	-2.0	-116.06	342.70	4.68	-111.38
O=C([O-])C1=CC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C(Cl)=C1	REAL300000453947	0	38	-2.0	-103.48	337.83	6.71	-96.77
O=C([O-])C1=CC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300000453948	0	38	-2.0	-107.00	344.45	5.28	-101.72
O=C([O-])C1=CC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])S1	REAL300000453951	0	35	-2.0	-105.89	326.87	5.51	-100.38
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000453953	0	38	-2.0	-107.38	340.93	6.45	-100.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C1F	REAL300000453954	0	41	-2.0	-115.09	352.75	6.79	-108.30
O=C([O-])C1=CC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300000453956	0	38	-2.0	-103.22	332.52	6.15	-97.07
O=C([O-])C1=CC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300000453957	0	38	-2.0	-104.58	352.41	5.65	-98.93
CC(=O)NC1=CC(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=CC=C1[O-]	REAL300000453964	1	43	-2.0	-115.18	368.91	2.75	-112.43
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000453973	0	38	-3.0	-193.76	340.16	3.97	-189.79
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000453973	1	39	-2.0	-121.01	339.25	4.27	-116.74
O=C([O-])CC1=CC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1	REAL300000453975	0	41	-2.0	-110.83	356.67	7.16	-103.67
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(CCO)C1=CC=CC=C1C(=O)[O-]	REAL300000453992	0	41	-2.0	-122.99	343.63	7.07	-115.92
CC1=CC(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000453994	0	41	-2.0	-114.61	361.97	6.12	-108.49
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(CCO)C1=CC=CC=C1C(=O)[O-]	REAL300000453995	0	41	-2.0	-108.99	349.38	7.21	-101.78
CC1=CC(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000453998	0	44	-2.0	-123.10	369.96	6.58	-116.52
CC1=CC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000454006	0	44	-2.0	-126.85	367.77	7.82	-119.03
CC1=CC(F)=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000454007	0	41	-2.0	-117.86	360.04	5.74	-112.12
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000454008	0	41	-2.0	-114.37	352.15	6.79	-107.58
CCC1=CC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000454012	0	44	-2.0	-120.25	374.23	6.42	-113.83
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCO)C1=CC=CC=C1C(=O)[O-]	REAL300000454016	0	41	-2.0	-103.10	354.34	6.40	-96.70
COC1=CC=C([O-])C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000454024	1	40	-2.0	-122.54	341.26	2.68	-119.86
CCN1C=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000454044	0	42	-2.0	-113.41	362.55	6.62	-106.79
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])S1	REAL300000454094	1	38	-2.0	-107.04	353.57	1.05	-105.99
CC1=CC(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000454124	0	41	-2.0	-106.27	355.91	5.79	-100.48
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N(CCO)C1=CC=CC=C1C(=O)[O-]	REAL300000454151	0	41	-2.0	-109.21	353.79	7.28	-101.93
O=C([O-])C1=CC=CC=C1N(CCO)S(=O)(=O)C1=NC=C[N-]1	REAL300000454156	0	32	-2.0	-114.94	290.77	0.96	-113.98
O=C([O-])C1=CC=CC=C1N(CCO)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000454172	0	38	-2.0	-117.38	338.39	5.08	-112.30
CC1=C(F)C=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000454187	0	41	-2.0	-105.99	355.69	6.96	-99.03
O=C([O-])C1=CC=NC(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C1	REAL300000454229	0	37	-2.0	-111.53	330.68	4.53	-107.00
O=C([O-])C1=CC=CC=C1N(CCO)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000454239	0	36	-2.0	-115.65	318.16	3.45	-112.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(CCO)C1=CC=CC=C1C(=O)[O-]	REAL300000454252	0	42	-2.0	-108.66	351.82	6.14	-102.52
O=C([O-])C1=CC(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])=C(Cl)O1	REAL300000454256	0	35	-2.0	-105.37	332.14	3.93	-101.44
CCC1=C(S(=O)(=O)N(CCO)C2=CC=CC=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000454401	0	41	-2.0	-107.89	357.29	4.78	-103.11
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000454412	0	38	-2.0	-105.04	334.80	7.15	-97.89
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000454419	0	38	-2.0	-125.93	334.34	8.02	-117.91
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000454427	0	38	-2.0	-105.19	329.77	8.00	-97.19
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000454433	0	38	-2.0	-101.02	329.76	7.99	-93.03
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300000454454	0	42	-2.0	-122.76	361.84	7.98	-114.78
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000454455	0	42	-2.0	-108.05	361.24	9.29	-98.76
CC1=CC=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000454460	0	41	-2.0	-125.29	345.77	8.52	-116.77
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000454471	0	38	-2.0	-114.50	340.38	8.53	-105.97
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000454472	0	38	-2.0	-122.38	342.31	8.39	-113.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=C1C	REAL300000454488	0	44	-2.0	-127.03	359.15	9.18	-117.85
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000454491	0	38	-2.0	-113.35	339.23	8.26	-105.09
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000454496	0	44	-2.0	-103.71	373.36	9.57	-94.14
O=C([O-])C1=CSC(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000454503	0	35	-2.0	-100.39	323.89	7.08	-93.31
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300000454506	0	41	-2.0	-124.76	340.08	8.65	-116.11
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000454519	0	42	-2.0	-104.57	360.85	8.28	-96.29
CN1C=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000454543	0	39	-2.0	-102.03	336.94	7.33	-94.70
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300000454546	0	42	-2.0	-126.56	349.24	6.71	-119.85
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000454563	0	38	-2.0	-110.42	339.81	7.73	-102.69
CC1=CC(C)=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000454566	0	44	-2.0	-125.45	357.85	9.21	-116.24
O=C([O-])C1=CC(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=CS1	REAL300000454582	0	35	-2.0	-119.88	321.45	7.02	-112.86
COC1=CC=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000454584	0	42	-2.0	-106.10	357.03	8.06	-98.04
CC1=CC=C([O-])C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000454593	1	39	-2.0	-99.70	333.27	6.81	-92.89
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300000454595	0	44	-2.0	-118.59	363.73	9.58	-109.01
CC1=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])O1	REAL300000454601	0	38	-2.0	-118.45	334.91	7.26	-111.19
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000454609	0	42	-2.0	-105.20	359.02	7.44	-97.76
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300000454627	0	41	-2.0	-116.51	345.27	8.69	-107.82
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300000454645	1	41	-2.0	-102.64	359.83	4.62	-98.02
CC1=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])S1	REAL300000454658	0	38	-2.0	-121.85	337.44	7.84	-114.01
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C(Cl)=C1	REAL300000454700	0	38	-2.0	-102.33	340.34	8.52	-93.81
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000454701	0	38	-2.0	-108.65	334.27	8.03	-100.62
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300000454705	0	35	-2.0	-109.22	322.97	7.18	-102.04
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1	REAL300000454707	0	38	-2.0	-97.22	336.21	8.06	-89.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=C1F	REAL300000454708	0	41	-2.0	-114.25	359.50	8.88	-105.37
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C(F)=C1	REAL300000454710	0	38	-2.0	-101.80	339.20	8.25	-93.55
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000454711	0	38	-2.0	-104.77	342.24	8.38	-96.39
CC(=O)NC1=CC(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1[O-]	REAL300000454719	1	43	-2.0	-107.10	364.02	4.36	-102.74
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000454728	0	38	-2.0	-117.63	340.58	8.09	-109.54
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000454733	0	38	-3.0	-183.70	339.88	6.77	-176.93
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000454733	1	39	-2.0	-121.53	339.86	6.10	-115.43
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000454735	0	41	-2.0	-104.58	351.96	8.77	-95.81
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300000454756	0	41	-2.0	-103.06	335.76	8.55	-94.51
CC1=CC(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=CC(C(=O)[O-])=C1F	REAL300000454758	0	41	-2.0	-101.69	354.64	8.64	-93.05
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300000454759	0	41	-2.0	-109.72	340.09	8.65	-101.07
CC1=CC(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000454764	0	44	-2.0	-103.23	367.23	9.19	-94.04
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000454768	0	38	-2.0	-105.93	345.48	8.31	-97.62
CC1=CC=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1C(=O)[O-]	REAL300000454774	0	44	-2.0	-107.12	359.93	9.27	-97.85
CC1=CC(F)=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000454775	0	41	-2.0	-115.38	358.97	8.88	-106.50
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000454776	0	41	-2.0	-105.58	358.79	8.86	-96.72
CCC1=CC=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000454780	0	44	-2.0	-125.62	363.73	9.18	-116.44
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300000454785	0	41	-2.0	-108.80	345.46	7.79	-101.01
COC1=CC=C([O-])C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000454794	1	40	-2.0	-100.64	340.99	5.45	-95.19
CCN1C=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000454815	0	42	-2.0	-102.59	358.38	8.20	-94.39
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300000454882	1	38	-2.0	-100.54	344.11	3.85	-96.69
CC1=CC(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1C(=O)[O-]	REAL300000454918	0	41	-2.0	-103.59	345.77	8.53	-95.06
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300000454957	0	41	-2.0	-125.48	344.88	8.69	-116.79
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=NC=C[N-]1	REAL300000454962	0	32	-2.0	-101.02	282.15	3.86	-97.16
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000454990	0	38	-2.0	-105.59	337.76	8.22	-97.37
CC1=C(F)C=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000455008	0	41	-2.0	-117.40	355.08	8.66	-108.74
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000455062	0	37	-2.0	-100.47	328.11	6.57	-93.90
O=C([O-])C1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000455075	0	36	-2.0	-95.08	317.92	6.23	-88.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300000455092	0	42	-2.0	-107.70	362.20	7.97	-99.73
O=C([O-])C1=CC(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=C(Cl)O1	REAL300000455097	0	35	-2.0	-108.37	333.88	7.16	-101.21
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000455208	1	41	-2.0	-100.86	358.70	5.11	-95.75
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)=N[N-]1	REAL300000455208	1	41	-2.0	-100.82	358.78	5.11	-95.71
CCC1=C(S(=O)(=O)N2CCCC3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])O1	REAL300000455263	0	41	-2.0	-116.50	351.52	7.71	-108.79
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000455269	1	32	-2.0	-103.21	320.37	6.47	-96.74
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C=C1C(=O)[O-]	REAL300000455270	1	32	-2.0	-99.02	320.33	6.47	-92.55
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=C1C(=O)[O-]	REAL300000455271	0	32	-2.0	-116.07	321.57	6.45	-109.62
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000455272	0	34	-2.0	-101.76	315.74	3.90	-97.86
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000455273	0	33	-2.0	-96.91	314.45	5.00	-91.91
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000455274	1	34	-2.0	-107.46	320.92	6.73	-100.73
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000455276	1	37	-2.0	-107.14	336.41	7.53	-99.61
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=CS2)C=C1C(=O)[O-]	REAL300000455279	0	28	-2.0	-104.62	291.45	5.08	-99.54
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300000455281	1	31	-2.0	-103.29	305.92	6.13	-97.16
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000455282	1	31	-2.0	-106.73	299.53	6.07	-100.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)S1	REAL300000455284	0	31	-2.0	-106.94	317.31	5.97	-100.97
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1C(=O)[O-]	REAL300000455288	0	31	-2.0	-111.13	304.99	6.14	-104.99
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000455289	0	31	-2.0	-103.39	304.06	3.79	-99.60
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000455291	0	28	-2.0	-100.79	281.10	2.47	-98.32
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1C(=O)[O-]	REAL300000455292	0	30	-2.0	-97.40	300.92	4.35	-93.05
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CN(C)C=N2)C=C1C(=O)[O-]	REAL300000455293	0	31	-2.0	-117.07	307.66	5.25	-111.82
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000455294	0	31	-2.0	-95.77	315.46	4.60	-91.17
CC1=NC(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=CN1C	REAL300000455295	0	34	-2.0	-118.53	327.18	5.04	-113.49
CCN1C=C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000455296	0	34	-2.0	-103.69	325.60	4.64	-99.05
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000455297	0	31	-2.0	-102.82	303.89	3.21	-99.61
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000455298	1	34	-2.0	-106.35	315.01	6.84	-99.51
CC1=C(Br)C=C([N-]S(=O)(=O)C2=NN(C)C=C2)C=C1C(=O)[O-]	REAL300000455300	0	31	-2.0	-113.06	308.32	3.70	-109.36
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=NN2C)C=C1C(=O)[O-]	REAL300000455301	0	31	-2.0	-98.47	299.76	3.71	-94.76
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CNC=N2)C=C1C(=O)[O-]	REAL300000455306	0	28	-2.0	-113.28	284.78	3.56	-109.72
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)SC=C1	REAL300000455308	0	31	-2.0	-107.29	310.25	5.71	-101.58
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000455316	1	37	-2.0	-107.63	342.40	7.50	-100.13
CC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)S1	REAL300000455319	0	30	-2.0	-102.36	308.05	3.90	-98.46
CC1=CC(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=C(C)O1	REAL300000455324	0	34	-2.0	-105.06	326.46	5.74	-99.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)O1	REAL300000455325	0	31	-2.0	-106.89	308.07	4.98	-101.91
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000455327	0	28	-2.0	-105.84	286.16	4.16	-101.68
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CN=NN2C)C=C1C(=O)[O-]	REAL300000455328	0	30	-2.0	-94.68	296.91	2.62	-92.06
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000455329	1	37	-2.0	-106.10	333.69	7.88	-98.22
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)C(N)=NO1	REAL300000455333	0	32	-2.0	-97.83	309.93	3.56	-94.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000455335	0	33	-2.0	-103.53	316.12	4.89	-98.64
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000455338	0	34	-2.0	-100.80	320.36	4.64	-96.16
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C=C1C(=O)[O-]	REAL300000455339	0	29	-2.0	-99.28	307.40	4.71	-94.57
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CSC=C2)C=C1C(=O)[O-]	REAL300000455340	0	28	-2.0	-102.69	290.63	4.98	-97.71
CC1=C(Br)C=C([N-]S(=O)(=O)C2=COC=C2)C=C1C(=O)[O-]	REAL300000455341	0	28	-2.0	-103.03	282.05	3.96	-99.07
CC1=CSC(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000455342	0	31	-2.0	-104.73	313.09	5.74	-98.99
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1C(=O)[O-]	REAL300000455343	0	28	-2.0	-103.46	301.76	2.97	-100.49
CC1=NSC(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000455344	0	30	-2.0	-98.84	308.01	4.37	-94.47
CC1=C(Br)C=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1C(=O)[O-]	REAL300000455346	0	28	-2.0	-107.66	301.76	5.20	-102.46
CC1=C(Br)C=C([N-]S(=O)(=O)C2=NC=CN2)C=C1C(=O)[O-]	REAL300000455349	0	28	-2.0	-107.86	285.10	2.74	-105.12
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)C=NN1C	REAL300000455352	0	34	-2.0	-103.83	320.18	4.30	-99.53
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000455353	1	35	-2.0	-106.77	330.61	7.16	-99.61
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000455354	0	34	-2.0	-104.44	322.90	4.43	-100.01
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000455355	0	31	-2.0	-96.91	315.38	4.68	-92.23
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000455360	0	30	-2.0	-98.06	300.41	4.12	-93.94
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1C(=O)[O-]	REAL300000455361	0	30	-2.0	-110.18	303.98	4.34	-105.84
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000455363	0	30	-2.0	-96.35	300.93	4.23	-92.12
CC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)N1C	REAL300000455366	0	34	-2.0	-104.86	322.63	5.22	-99.64
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C=C1C(=O)[O-]	REAL300000455368	0	31	-2.0	-98.86	304.73	3.43	-95.43
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=NS2)C=C1C(=O)[O-]	REAL300000455369	0	27	-2.0	-98.60	286.26	3.78	-94.82
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CN(C)N=N2)C=C1C(=O)[O-]	REAL300000455370	0	30	-2.0	-108.84	302.28	2.49	-106.35
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000455371	0	33	-2.0	-94.03	314.75	3.41	-90.62
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)N=CN1	REAL300000455372	0	31	-2.0	-116.74	302.40	4.24	-112.50
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000455375	0	34	-2.0	-99.33	321.69	4.29	-95.04
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)O1	REAL300000455378	0	34	-2.0	-106.85	329.56	5.76	-101.09
CCN1N=CC(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000455379	0	33	-2.0	-103.47	320.23	2.94	-100.53
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1C(=O)[O-]	REAL300000455380	0	28	-2.0	-100.97	303.23	4.78	-96.19
CC1=COC(S(=O)(=O)[N-]C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000455381	0	31	-2.0	-106.07	308.06	4.83	-101.24
CC1=C(Br)C=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C=C1C(=O)[O-]	REAL300000455382	0	29	-2.0	-107.43	305.34	4.63	-102.80
CC1=C(Br)C=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1C(=O)[O-]	REAL300000455383	0	28	-2.0	-102.31	298.29	4.58	-97.73
CC1=C(Br)C=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C=C1C(=O)[O-]	REAL300000455384	0	29	-2.0	-107.62	306.42	4.58	-103.04
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1C(=O)[O-]	REAL300000455385	1	32	-2.0	-106.98	310.54	3.21	-103.77
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CSN=C2)C=C1C(=O)[O-]	REAL300000455386	0	27	-2.0	-96.81	285.17	3.68	-93.13
CC1=C(Br)C=C([N-]S(=O)(=O)C2=CN=CS2)C=C1C(=O)[O-]	REAL300000455387	0	27	-2.0	-101.15	286.11	3.18	-97.97
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000455388	1	39	-2.0	-100.87	352.29	6.88	-93.99
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000455389	1	39	-2.0	-91.26	347.74	6.85	-84.41
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000455390	1	39	-2.0	-103.11	347.77	6.84	-96.27
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)C)C=C1	REAL300000455391	0	43	-2.0	-107.91	376.05	6.65	-101.26
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000455392	1	43	-2.0	-91.01	379.21	8.14	-82.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000455393	1	42	-2.0	-105.54	367.84	7.49	-98.05
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000455394	0	39	-2.0	-98.49	360.97	7.43	-91.06
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000455395	1	39	-2.0	-99.10	360.27	7.24	-91.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)=C1C	REAL300000455396	1	45	-2.0	-111.08	380.28	8.17	-102.91
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000455397	0	39	-2.0	-99.89	353.38	6.92	-92.97
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000455398	1	45	-2.0	-89.96	391.47	8.44	-81.52
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000455399	0	36	-2.0	-97.62	340.96	5.87	-91.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)C)C=C1	REAL300000455400	1	42	-2.0	-103.71	363.33	7.65	-96.06
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000455401	1	43	-2.0	-89.68	378.97	7.14	-82.54
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000455402	0	40	-2.0	-101.58	354.41	6.20	-95.38
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)C)C=C1	REAL300000455403	1	43	-2.0	-104.38	371.69	5.69	-98.69
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)=C1	REAL300000455404	0	39	-2.0	-97.72	357.01	6.54	-91.18
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000455405	1	45	-2.0	-105.16	378.80	8.19	-96.97
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000455406	0	36	-2.0	-99.00	339.57	5.90	-93.10
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000455407	1	43	-2.0	-109.02	375.19	6.92	-102.10
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000455408	1	48	-2.0	-105.68	401.66	8.87	-96.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)C)C=C1	REAL300000455409	1	45	-2.0	-102.14	377.93	8.57	-93.57
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)C)C=C1	REAL300000455410	0	46	-2.0	-108.79	398.19	7.41	-101.38
CC(C)C(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000455411	0	42	-2.0	-112.25	379.01	7.38	-104.87
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000455411	1	41	-3.0	-181.25	376.15	7.41	-173.84
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000455412	1	46	-2.0	-113.22	392.12	8.75	-104.47
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000455413	0	39	-2.0	-97.13	350.93	6.00	-91.13
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)=C1	REAL300000455414	0	43	-2.0	-108.11	376.85	5.94	-102.17
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000455415	0	39	-2.0	-95.50	365.34	7.43	-88.07
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)=CC=C1OCC(=O)[O-]	REAL300000455416	1	46	-2.0	-90.05	399.05	7.84	-82.21
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)C)C=C1	REAL300000455417	1	42	-2.0	-94.56	368.61	7.68	-86.88
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000455418	1	43	-2.0	-89.41	385.05	7.19	-82.22
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000455419	1	46	-2.0	-109.68	396.90	7.82	-101.86
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000455420	0	39	-2.0	-100.36	356.38	6.76	-93.60
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000455421	0	39	-2.0	-92.45	360.93	7.41	-85.04
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000455422	1	39	-2.0	-90.96	352.44	6.89	-84.07
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000455423	0	36	-2.0	-92.75	340.01	5.97	-86.78
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000455424	1	39	-2.0	-98.14	354.28	6.92	-91.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)=C1F	REAL300000455425	0	42	-2.0	-106.30	373.51	7.55	-98.75
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000455426	0	39	-2.0	-94.12	353.21	6.92	-87.20
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000455427	1	39	-2.0	-88.91	360.26	7.25	-81.66
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)C)C=C1	REAL300000455428	1	42	-2.0	-96.15	377.34	8.07	-88.08
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000455429	1	39	-2.0	-96.40	358.56	6.94	-89.46
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000455430	0	41	-2.0	-92.36	375.93	7.51	-84.85
CC(C)C(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000455431	0	40	-2.0	-103.40	356.72	5.35	-98.05
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000455431	1	40	-2.0	-102.44	357.60	4.58	-97.86
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000455432	1	42	-2.0	-94.12	370.07	7.64	-86.48
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000455433	1	39	-2.0	-97.81	368.58	7.38	-90.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)C)C=C1	REAL300000455434	1	42	-2.0	-101.02	361.60	7.58	-93.44
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)=CC(C(=O)[O-])=C1F	REAL300000455435	1	42	-2.0	-106.14	372.58	7.50	-98.64
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)C)C=C1	REAL300000455436	1	42	-2.0	-95.49	363.29	7.63	-87.86
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)=CC(C(=O)[O-])=C1C	REAL300000455437	1	45	-2.0	-110.17	380.62	7.91	-102.26
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000455438	0	41	-2.0	-102.12	374.33	7.93	-94.19
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000455439	0	39	-2.0	-91.87	359.65	6.98	-84.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)C(C)=C1C(=O)[O-]	REAL300000455440	1	45	-2.0	-104.24	381.14	8.26	-95.98
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000455441	0	42	-2.0	-100.88	369.26	7.44	-93.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)=C1Cl	REAL300000455442	0	42	-2.0	-105.25	379.64	7.99	-97.26
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)=C1	REAL300000455443	0	42	-2.0	-111.15	372.76	7.54	-103.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000455444	1	45	-2.0	-104.80	381.70	8.03	-96.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)C=C1CC(=O)[O-]	REAL300000455445	1	46	-2.0	-106.01	398.23	6.98	-99.03
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)C)C=C1	REAL300000455446	1	42	-2.0	-97.17	378.42	8.11	-89.06
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000455447	1	42	-2.0	-104.83	378.97	7.80	-97.03
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000455448	0	43	-2.0	-102.88	375.78	7.07	-95.81
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000455449	1	42	-2.0	-101.65	381.49	7.91	-93.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000455450	1	42	-2.0	-91.35	363.77	7.39	-83.96
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)C)C=C1	REAL300000455451	1	42	-2.0	-101.32	367.85	7.68	-93.64
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000455452	0	41	-2.0	-110.89	371.65	8.71	-102.18
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000455453	0	39	-2.0	-107.64	351.55	6.88	-100.76
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000455454	1	42	-2.0	-99.88	372.68	7.52	-92.36
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000455455	1	45	-2.0	-111.15	388.95	8.98	-102.17
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000455456	0	38	-2.0	-104.89	343.96	4.98	-99.91
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(C)C)C=C1	REAL300000455457	0	43	-2.0	-95.23	375.96	6.65	-88.58
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000455458	0	36	-2.0	-91.25	347.91	5.82	-85.43
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000455459	1	46	-2.0	-97.37	393.89	8.73	-88.64
CC(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000455460	1	46	-2.0	-104.79	393.18	8.73	-96.06
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000455461	0	42	-2.0	-96.97	370.02	6.85	-90.12
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000455462	0	37	-2.0	-102.68	355.93	4.18	-98.50
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000455463	0	37	-2.0	-92.87	351.38	4.14	-88.73
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000455464	0	37	-2.0	-105.27	351.40	4.13	-101.14
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000455465	0	41	-2.0	-92.40	382.85	5.44	-86.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000455466	0	40	-2.0	-106.42	367.41	4.68	-101.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CN=C2OC(C)C)=C1C	REAL300000455467	0	43	-2.0	-107.62	383.79	5.44	-102.18
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000455468	0	37	-2.0	-102.27	356.86	4.21	-98.06
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000455469	0	43	-2.0	-91.62	394.96	5.74	-85.88
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000455470	0	34	-2.0	-99.52	344.59	3.16	-96.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CN=C1OC(C)C	REAL300000455471	0	40	-2.0	-105.61	366.83	4.92	-100.69
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000455472	0	38	-2.0	-103.52	358.05	3.49	-100.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=CN=C2OC(C)C)=C1	REAL300000455473	0	37	-2.0	-95.69	360.51	3.82	-91.87
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(Cl)=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000455474	0	43	-2.0	-106.82	382.84	5.46	-101.36
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000455475	0	34	-2.0	-100.93	343.04	3.19	-97.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CN=C1OC(C)C	REAL300000455476	0	43	-2.0	-103.70	381.52	5.86	-97.84
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CN=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000455477	0	37	-2.0	-99.00	354.41	3.28	-95.72
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CN=C2OC(C)C)C=C(C(=O)[O-])S1	REAL300000455478	0	37	-2.0	-102.13	361.09	4.03	-98.10
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000455479	0	37	-2.0	-92.41	355.91	4.18	-88.23
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000455480	0	34	-2.0	-94.52	343.66	3.26	-91.26
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000455481	0	37	-2.0	-96.09	357.80	4.20	-91.89
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000455482	0	37	-2.0	-92.28	356.86	4.21	-88.07
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000455483	0	37	-3.0	-200.81	357.53	2.74	-198.07
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000455483	1	38	-2.0	-104.26	361.11	1.86	-102.40
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000455484	0	40	-2.0	-96.17	373.57	4.92	-91.25
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CN=C1OC(C)C	REAL300000455485	0	40	-2.0	-101.56	361.44	4.76	-96.80
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CN=C1OC(C)C	REAL300000455486	0	40	-2.0	-92.96	366.82	4.91	-88.05
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CN=C2OC(C)C)=CC(C(=O)[O-])=C1C	REAL300000455487	0	43	-2.0	-108.17	384.28	5.20	-102.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CN=C2OC(C)C)C(C)=C1C(=O)[O-]	REAL300000455488	0	43	-2.0	-105.78	385.88	5.52	-100.26
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000455489	0	43	-2.0	-106.99	385.72	5.32	-101.67
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000455490	0	41	-2.0	-104.74	379.41	4.37	-100.37
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CN=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000455491	0	40	-2.0	-92.96	367.41	4.68	-88.28
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000455492	0	37	-2.0	-109.64	355.03	4.16	-105.48
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000455493	0	36	-2.0	-102.83	347.62	2.26	-100.57
CC(C)OC1=NC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000455494	0	34	-2.0	-93.09	351.50	3.11	-89.98
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CN=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000455495	0	40	-2.0	-98.76	373.53	4.13	-94.63
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CC(=O)N2)C=C1	REAL300000455499	0	41	-2.0	-113.36	368.74	0.55	-112.81
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=C1	REAL300000455502	0	37	-2.0	-103.74	353.67	1.32	-102.42
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=C1	REAL300000455505	0	37	-2.0	-105.32	346.08	0.81	-104.51
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=C1	REAL300000455507	0	34	-2.0	-102.52	333.78	-0.24	-102.76
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)C=C1C(=O)[O-]	REAL300000455510	1	38	-2.0	-107.30	347.06	-0.16	-107.46
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=C1	REAL300000455512	0	37	-2.0	-99.01	349.53	0.16	-98.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=CS1	REAL300000455514	1	34	-2.0	-103.83	332.25	-0.22	-104.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)C=C(C(=O)[O-])O1	REAL300000455517	0	37	-2.0	-103.11	343.44	-0.37	-103.48
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=C1	REAL300000455518	0	41	-2.0	-109.79	369.56	-0.16	-109.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CC(=O)N2)C=C1	REAL300000455519	1	40	-2.0	-100.67	361.11	1.31	-99.36
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)C=C(C(=O)[O-])S1	REAL300000455520	1	37	-2.0	-106.57	349.02	0.38	-106.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)C(Cl)=C1	REAL300000455521	1	37	-2.0	-93.80	353.65	1.31	-92.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)S1	REAL300000455523	0	34	-2.0	-97.90	332.67	-0.39	-98.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=CC(F)=C1	REAL300000455524	1	37	-2.0	-99.02	347.00	0.82	-98.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=C1F	REAL300000455525	0	40	-2.0	-106.74	366.36	1.45	-105.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)C(F)=C1	REAL300000455526	0	37	-2.0	-95.65	346.06	0.82	-94.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=CC(F)=C1F	REAL300000455528	1	37	-2.0	-97.47	351.23	0.58	-96.89
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=C1	REAL300000455529	0	38	-2.0	-108.05	350.31	-1.54	-109.59
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3CC(=O)N3)C=C2)=C1	REAL300000455529	1	38	-2.0	-105.49	349.51	-0.74	-106.23
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=C1	REAL300000455535	0	37	-2.0	-97.17	352.35	0.88	-96.29
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)C=C1C(=O)[O-]	REAL300000455537	0	40	-2.0	-106.38	362.07	1.35	-105.03
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=C1	REAL300000455538	0	40	-2.0	-113.49	365.63	1.44	-112.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)C=C1C(=O)[O-]	REAL300000455540	1	41	-2.0	-108.55	368.43	0.71	-107.84
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=CC=C1	REAL300000455543	0	37	-2.0	-112.68	344.21	0.77	-111.91
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)C=C1C(=O)[O-]	REAL300000455544	1	40	-2.0	-101.49	365.54	1.43	-100.06
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=C1	REAL300000455545	0	36	-2.0	-106.35	336.81	-1.14	-107.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2CC(=O)N2)C=C1	REAL300000455546	0	41	-2.0	-100.49	368.61	0.28	-100.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)=C(Cl)O1	REAL300000455547	0	34	-2.0	-96.39	340.75	-0.27	-96.66
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CC(=O)N3)C=C2)C=C(C(=O)[O-])O1	REAL300000455548	0	40	-2.0	-102.36	362.72	0.74	-101.62
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1	REAL300000455549	1	36	-2.0	-90.00	341.99	1.57	-88.43
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC=C1F	REAL300000455550	1	29	-2.0	-96.88	290.14	3.02	-93.86
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C(F)=C1F	REAL300000455551	1	37	-2.0	-92.28	342.98	4.09	-88.19
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1	REAL300000455552	1	29	-2.0	-96.01	285.50	2.99	-93.02
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=C1	REAL300000455553	1	29	-2.0	-96.11	285.63	2.99	-93.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C(F)=C1F	REAL300000455554	1	33	-2.0	-93.08	311.52	2.79	-90.29
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1	REAL300000455555	1	33	-2.0	-94.55	316.97	4.28	-90.27
CC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1C(=O)[O-]	REAL300000455556	1	32	-2.0	-108.55	302.21	3.56	-104.99
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=C1	REAL300000455557	1	29	-2.0	-96.83	297.61	3.17	-93.66
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC=C1Cl	REAL300000455558	1	29	-2.0	-93.95	298.13	3.38	-90.57
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=C(Cl)C=C1Cl	REAL300000455559	1	29	-2.0	-93.97	310.09	3.55	-90.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=C1C	REAL300000455560	1	35	-2.0	-105.92	316.46	3.93	-101.99
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1	REAL300000455562	1	35	-2.0	-92.58	329.17	4.58	-88.00
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C([O-])C(F)=C2F)=C1	REAL300000455563	0	25	-3.0	-176.45	274.23	2.18	-174.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C(F)=C1F	REAL300000455564	1	32	-2.0	-104.09	301.99	3.85	-100.24
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1	REAL300000455565	1	33	-2.0	-94.18	316.64	3.27	-90.91
CN1C=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1C(=O)[O-]	REAL300000455566	1	30	-2.0	-96.61	293.87	2.38	-94.23
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C(F)=C1F	REAL300000455567	1	33	-2.0	-106.12	310.77	1.88	-104.24
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1C(=O)[O-]	REAL300000455569	1	35	-2.0	-104.20	318.03	4.39	-99.81
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CS1	REAL300000455570	1	26	-2.0	-95.11	278.59	2.06	-93.05
COC1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC(C(=O)[O-])=C1OC	REAL300000455571	1	37	-2.0	-98.50	343.90	2.81	-95.69
COC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1C(=O)[O-]	REAL300000455572	1	33	-2.0	-101.67	312.87	3.05	-98.62
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=C1	REAL300000455573	1	39	-2.0	-105.45	338.66	5.22	-100.23
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C(F)=C1F	REAL300000455574	1	38	-2.0	-104.17	338.26	4.61	-99.56
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C(F)=C1F	REAL300000455575	1	35	-2.0	-103.78	319.55	4.70	-99.08
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C(F)=C1F	REAL300000455576	1	36	-2.0	-95.66	333.90	3.57	-92.09
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(O)C(F)=C2F)=CC(C(=O)[O-])=C1	REAL300000455577	0	32	-2.0	-108.12	317.53	2.78	-105.34
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC(C(=O)[O-])=C1	REAL300000455577	1	31	-3.0	-173.66	313.97	3.54	-170.12
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=C1	REAL300000455578	1	36	-2.0	-106.13	328.21	4.51	-101.62
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC2=C1OCCO2	REAL300000455580	1	35	-2.0	-101.45	327.74	2.76	-98.69
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=C1	REAL300000455581	1	33	-2.0	-96.75	313.12	1.67	-95.08
O=C([O-])C1COC2=CC=C(S(=O)(=O)NC3=CC=C([O-])C(F)=C3F)C=C2C1	REAL300000455582	1	37	-2.0	-89.43	338.61	3.59	-85.84
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC(Cl)=C1Cl	REAL300000455583	1	29	-2.0	-90.08	313.27	3.83	-86.25
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=C(Cl)C=C1F	REAL300000455584	1	29	-2.0	-96.50	302.12	3.19	-93.31
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1Cl	REAL300000455585	1	33	-2.0	-95.17	332.75	3.80	-91.37
CC1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC=C1OCC(=O)[O-]	REAL300000455586	1	36	-2.0	-94.00	336.79	3.98	-90.02
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C(F)=C1F	REAL300000455587	1	32	-2.0	-97.76	307.15	3.87	-93.89
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1F	REAL300000455588	1	33	-2.0	-97.37	322.94	3.34	-94.03
CCOC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1C(=O)[O-]	REAL300000455589	1	36	-2.0	-115.72	334.73	3.96	-111.76
CC1=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C(C(=O)[O-])S1	REAL300000455590	1	29	-2.0	-102.28	294.06	2.50	-99.78
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=C1	REAL300000455591	1	29	-2.0	-91.65	312.73	3.62	-88.03
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C(Cl)=C1	REAL300000455592	1	29	-2.0	-89.06	297.55	3.16	-85.90
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1F	REAL300000455593	1	29	-2.0	-98.63	290.10	3.03	-95.60
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=C1	REAL300000455595	1	29	-2.0	-101.00	291.97	3.05	-97.95
COC1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=C(Cl)C=C1C(=O)[O-]	REAL300000455597	1	33	-2.0	-93.38	324.84	3.23	-90.15
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1Cl	REAL300000455599	1	29	-2.0	-94.87	298.07	3.38	-91.49
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C(F)=C1F	REAL300000455600	1	32	-2.0	-98.56	315.86	4.25	-94.31
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1	REAL300000455601	0	37	-2.0	-92.55	349.25	4.40	-88.15
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC(F)=C1F	REAL300000455602	1	29	-2.0	-92.67	296.41	3.08	-89.59
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=C1	REAL300000455603	1	31	-2.0	-88.90	313.82	3.66	-85.24
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1	REAL300000455605	1	32	-2.0	-92.77	307.77	3.77	-89.00
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC(Cl)=C1F	REAL300000455606	1	29	-2.0	-92.45	306.29	3.51	-88.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C([O-])C(F)=C1F	REAL300000455607	1	32	-2.0	-98.09	296.51	3.69	-94.40
CC1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC(C(=O)[O-])=C1F	REAL300000455608	1	32	-2.0	-110.24	310.39	3.64	-106.60
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C([O-])C(F)=C1F	REAL300000455609	1	32	-2.0	-97.11	301.96	3.84	-93.27
CC1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC(C(=O)[O-])=C1C	REAL300000455610	1	35	-2.0	-96.58	318.11	4.03	-92.55
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC=C1[N+](=O)[O-]	REAL300000455611	1	31	-2.0	-101.48	312.23	4.09	-97.39
CC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C(C)=C1C(=O)[O-]	REAL300000455613	1	35	-2.0	-102.52	320.43	4.44	-98.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=C1Cl	REAL300000455615	1	32	-2.0	-97.59	316.26	3.73	-93.86
CCC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1C(=O)[O-]	REAL300000455617	1	35	-2.0	-108.85	319.82	4.17	-104.68
COC1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1CC(=O)[O-]	REAL300000455618	1	36	-2.0	-102.99	336.11	3.12	-99.87
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=C([O-])C(F)=C1F	REAL300000455619	1	32	-2.0	-88.69	309.62	3.78	-84.91
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1C(F)(F)F	REAL300000455620	1	32	-2.0	-95.45	315.71	3.79	-91.66
CC1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC(C(=O)[O-])=C1Cl	REAL300000455621	1	32	-2.0	-107.07	316.78	3.94	-103.13
CCN1C=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1C(=O)[O-]	REAL300000455622	1	33	-2.0	-107.37	315.24	3.26	-104.11
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C(C)=C1CC(=O)[O-]	REAL300000455623	1	41	-2.0	-93.86	344.82	5.27	-88.59
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1C(=O)[O-]	REAL300000455625	1	32	-2.0	-90.87	315.23	3.93	-86.94
CC(C)(C)C1=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C(C(=O)[O-])S1	REAL300000455626	1	38	-2.0	-109.82	338.49	4.69	-105.13
COC1=CC(Cl)=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1C(=O)[O-]	REAL300000455627	1	33	-2.0	-102.83	324.85	3.25	-99.58
CC1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC=C1C(=O)[O-]	REAL300000455628	1	32	-2.0	-94.58	301.50	3.52	-91.06
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([O-])C(F)=C2F)C([N+](=O)[O-])=C1	REAL300000455629	0	33	-3.0	-177.10	324.30	5.32	-171.78
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([O-])C(F)=C1F	REAL300000455630	1	32	-2.0	-105.37	303.52	3.41	-101.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([O-])C(F)=C2F)=C1[N+](=O)[O-]	REAL300000455631	0	30	-3.0	-191.57	304.77	5.00	-186.57
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)C=C1C(=O)[O-]	REAL300000455633	1	32	-2.0	-90.57	306.54	3.54	-87.03
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([O-])C(F)=C2F)=CC2=CC=CC=C21	REAL300000455634	1	35	-2.0	-101.59	326.07	5.09	-96.50
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C([O-])C(F)=C2F)=C1	REAL300000455635	0	27	-3.0	-181.80	277.25	1.27	-180.53
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(O)C(F)=C2F)=C1	REAL300000455635	1	28	-2.0	-108.27	281.58	0.45	-107.82
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C([O-])C(F)=C1F	REAL300000455636	1	33	-2.0	-94.88	311.51	2.80	-92.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C([O-])C(F)=C2F)=C(Cl)O1	REAL300000455637	0	25	-3.0	-168.72	281.15	2.12	-166.60
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3=CC=C([O-])C(F)=C3F)C=C2)CC1	REAL300000455638	1	36	-2.0	-97.39	330.18	4.83	-92.56
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3=CC=C([O-])C(F)=C3F)C=C2C1	REAL300000455639	1	36	-2.0	-111.14	329.75	4.86	-106.28
CC(C)CN(C1=CC=CC(Cl)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000455669	0	41	-2.0	-106.95	363.42	8.13	-98.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=CC=C1F	REAL300000455688	1	34	-2.0	-104.40	320.43	4.35	-100.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1	REAL300000455689	1	34	-2.0	-94.62	315.87	4.33	-90.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455690	1	34	-2.0	-106.74	315.90	4.32	-102.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CNC2=O	REAL300000455691	0	38	-2.0	-112.81	344.04	4.12	-108.69
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1	REAL300000455692	1	38	-2.0	-94.62	347.35	5.62	-89.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1C(=O)[O-]	REAL300000455693	1	37	-2.0	-107.84	331.92	4.85	-102.99
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455694	0	34	-2.0	-103.02	328.97	4.89	-98.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=CC=C1Cl	REAL300000455695	1	34	-2.0	-102.67	328.41	4.71	-97.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1C	REAL300000455696	1	40	-2.0	-110.29	349.01	5.65	-104.64
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455697	0	34	-2.0	-104.63	321.38	4.38	-100.25
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1	REAL300000455698	1	40	-2.0	-93.95	359.46	5.90	-88.05
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455699	0	31	-2.0	-101.15	309.08	3.33	-97.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CNC2=O	REAL300000455700	1	37	-2.0	-108.46	331.34	5.10	-103.36
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1	REAL300000455701	1	38	-2.0	-93.19	346.98	4.61	-88.58
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1C(=O)[O-]	REAL300000455702	0	35	-2.0	-105.09	322.54	3.67	-101.42
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CNC2=O	REAL300000455703	1	38	-2.0	-109.32	339.68	3.15	-106.17
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455704	0	34	-2.0	-97.38	325.03	4.01	-93.37
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1C(=O)[O-]	REAL300000455705	1	40	-2.0	-109.68	347.35	5.64	-104.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=CS1	REAL300000455706	0	31	-2.0	-102.62	307.55	3.35	-99.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1C(=O)[O-]	REAL300000455707	1	38	-2.0	-112.53	343.18	4.39	-108.14
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455708	1	44	-2.0	-112.07	371.14	6.95	-105.12
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CNC2=O	REAL300000455709	1	43	-2.0	-110.53	369.80	6.33	-104.20
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CNC2=O	REAL300000455710	1	40	-2.0	-106.87	344.22	5.97	-100.90
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CNC2=O	REAL300000455711	0	41	-2.0	-112.32	366.33	4.89	-107.43
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2C=CNC3=O)=CC(C(=O)[O-])=C1	REAL300000455712	0	37	-2.0	-113.39	343.30	4.81	-108.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=CC(C(=O)[O-])=C1	REAL300000455712	1	36	-3.0	-180.59	344.30	4.88	-175.71
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455713	1	41	-2.0	-112.45	360.15	6.22	-106.23
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C(C(=O)[O-])O1	REAL300000455714	0	34	-2.0	-101.44	318.90	3.46	-97.98
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455715	0	38	-2.0	-107.22	344.86	3.41	-103.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C(Cl)C=C1F	REAL300000455716	0	34	-2.0	-99.93	333.49	4.90	-95.03
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=CC=C1OCC(=O)[O-]	REAL300000455717	1	41	-2.0	-93.59	367.05	5.31	-88.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CNC2=O	REAL300000455718	1	37	-2.0	-99.06	336.62	5.13	-93.93
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1F	REAL300000455719	1	38	-2.0	-92.81	353.19	4.67	-88.14
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1C(=O)[O-]	REAL300000455720	1	41	-2.0	-113.15	365.03	5.30	-107.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C(C(=O)[O-])S1	REAL300000455721	0	34	-2.0	-105.00	324.52	4.21	-100.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C(Cl)=C1	REAL300000455722	0	34	-2.0	-92.11	328.95	4.88	-87.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1F	REAL300000455723	1	34	-2.0	-94.23	320.41	4.36	-89.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)S1	REAL300000455724	0	31	-2.0	-96.25	308.15	3.45	-92.80
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455725	0	34	-2.0	-97.75	322.30	4.39	-93.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1F	REAL300000455726	0	37	-2.0	-105.99	341.65	5.02	-100.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C(F)=C1	REAL300000455727	0	34	-2.0	-93.85	321.36	4.39	-89.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1Cl	REAL300000455728	1	34	-2.0	-92.21	328.39	4.72	-87.49
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CNC2=O	REAL300000455729	1	37	-2.0	-100.70	345.35	5.52	-95.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=CC(F)=C1F	REAL300000455730	1	34	-2.0	-96.08	326.72	4.41	-91.67
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455731	0	36	-2.0	-92.01	344.09	4.99	-87.02
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455732	0	35	-2.0	-107.81	325.61	2.03	-105.78
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455732	1	35	-2.0	-104.75	320.03	2.86	-101.89
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1	REAL300000455733	1	37	-2.0	-98.66	338.07	5.10	-93.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=CC(Cl)=C1F	REAL300000455734	1	34	-2.0	-97.46	336.61	4.85	-92.61
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CNC2=O	REAL300000455735	1	37	-2.0	-102.07	325.94	4.95	-97.12
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=CC(C(=O)[O-])=C1F	REAL300000455736	1	37	-2.0	-105.60	340.73	4.97	-100.63
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CNC2=O	REAL300000455737	1	37	-2.0	-94.94	331.32	5.09	-89.85
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=CC(C(=O)[O-])=C1C	REAL300000455738	1	40	-2.0	-109.66	348.78	5.39	-104.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=CC=C1[N+](=O)[O-]	REAL300000455739	0	36	-2.0	-105.32	342.45	5.42	-99.90
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455740	0	34	-2.0	-96.21	327.63	4.45	-91.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C(C)=C1C(=O)[O-]	REAL300000455741	1	40	-2.0	-106.13	350.38	5.71	-100.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1C(=O)[O-]	REAL300000455742	0	37	-2.0	-106.89	341.22	5.02	-101.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1Cl	REAL300000455743	0	37	-2.0	-104.70	347.68	5.46	-99.24
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455744	0	37	-2.0	-110.46	340.93	5.01	-105.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1C(=O)[O-]	REAL300000455745	1	40	-2.0	-108.46	350.22	5.51	-102.95
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1CC(=O)[O-]	REAL300000455746	1	41	-2.0	-107.93	366.36	4.45	-103.48
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CNC2=O	REAL300000455747	1	37	-2.0	-95.68	342.16	5.50	-90.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=CC(C(=O)[O-])=C1Cl	REAL300000455748	1	37	-2.0	-104.35	347.12	5.28	-99.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1C(=O)[O-]	REAL300000455749	0	38	-2.0	-106.33	343.92	4.53	-101.80
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1C(=O)[O-]	REAL300000455750	1	37	-2.0	-100.13	345.76	5.29	-94.84
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=CC=C1C(=O)[O-]	REAL300000455751	1	37	-2.0	-94.69	331.91	4.87	-89.82
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CNC2=O	REAL300000455752	1	37	-2.0	-106.02	335.85	5.14	-100.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1[N+](=O)[O-]	REAL300000455753	0	36	-2.0	-112.69	339.64	6.18	-106.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1F	REAL300000455754	0	34	-2.0	-109.73	319.54	4.35	-105.38
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C1C(=O)[O-]	REAL300000455755	1	37	-2.0	-98.48	337.06	4.89	-93.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=CC2=CC=CC=C21	REAL300000455756	1	40	-2.0	-114.53	356.93	6.44	-108.09
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C1	REAL300000455757	0	33	-2.0	-104.39	312.11	2.43	-101.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CNC2=O	REAL300000455758	0	38	-2.0	-98.69	344.10	4.12	-94.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)=C(Cl)O1	REAL300000455759	0	31	-2.0	-95.11	316.00	3.29	-91.82
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3C=CNC4=O)C=C2)CC1	REAL300000455760	1	41	-2.0	-101.51	362.02	6.20	-95.31
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3C=CNC4=O)C=C2C1	REAL300000455761	1	41	-2.0	-102.36	359.98	6.18	-96.18
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CNC3=O)C=C(C(=O)[O-])O1	REAL300000455762	0	37	-2.0	-101.21	338.02	4.31	-96.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)=CC=C1F	REAL300000455763	1	29	-2.0	-101.76	302.52	2.81	-98.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)C=C1	REAL300000455764	1	29	-2.0	-91.54	297.96	2.78	-88.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)=C1	REAL300000455765	1	29	-2.0	-104.19	297.99	2.78	-101.41
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)C=C1	REAL300000455766	1	33	-2.0	-91.49	329.44	4.07	-87.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000455767	1	32	-2.0	-104.29	314.00	3.31	-100.98
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)=C1	REAL300000455768	0	29	-2.0	-100.88	303.46	2.84	-98.04
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)=C1	REAL300000455769	0	26	-2.0	-97.89	291.17	1.79	-96.10
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(Br)=C1	REAL300000455770	1	32	-2.0	-104.37	313.42	3.56	-100.81
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000455771	0	30	-2.0	-102.32	304.63	2.13	-100.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)=C1	REAL300000455772	0	29	-2.0	-94.48	307.10	2.46	-92.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)=CS1	REAL300000455773	0	26	-2.0	-99.87	289.64	1.82	-98.05
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)C=C(C(=O)[O-])O1	REAL300000455774	0	29	-2.0	-97.77	300.99	1.91	-95.86
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)C=C(C(=O)[O-])S1	REAL300000455775	0	29	-2.0	-101.08	306.59	2.67	-98.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)C=C1F	REAL300000455776	1	29	-2.0	-91.20	302.51	2.82	-88.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)S1	REAL300000455777	0	26	-2.0	-93.25	290.25	1.91	-91.34
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)=C1	REAL300000455778	0	29	-2.0	-95.03	304.39	2.84	-92.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)C(F)=C1	REAL300000455779	0	29	-2.0	-90.93	303.44	2.85	-88.08
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)=C1	REAL300000455780	0	30	-2.0	-103.31	307.70	0.49	-102.82
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(O)=CC(Br)=C2)=C1	REAL300000455780	1	30	-2.0	-104.94	306.91	1.27	-103.67
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)C=C1	REAL300000455781	1	32	-2.0	-95.17	320.15	3.56	-91.61
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(Br)=C1	REAL300000455782	1	32	-2.0	-100.01	308.03	3.42	-96.59
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(Br)=C1	REAL300000455783	1	32	-2.0	-91.79	313.40	3.55	-88.24
CCN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000455784	0	33	-2.0	-103.62	326.01	3.00	-100.62
CC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)=CC=C1C(=O)[O-]	REAL300000455785	1	32	-2.0	-91.66	313.99	3.32	-88.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)=C1F	REAL300000455786	0	29	-2.0	-108.11	301.65	2.81	-105.30
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)=C1	REAL300000455787	0	28	-2.0	-101.67	294.21	0.91	-100.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)=C(Cl)O1	REAL300000455788	0	26	-2.0	-91.73	298.13	1.75	-89.98
CCC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(Br)=C2)C=C(C(=O)[O-])O1	REAL300000455789	0	32	-2.0	-97.56	320.12	2.76	-94.80
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000455790	1	34	-2.0	-104.92	335.28	2.59	-102.33
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1F	REAL300000455791	1	34	-2.0	-96.43	330.72	2.57	-93.86
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000455792	1	34	-2.0	-109.33	330.74	2.56	-106.77
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1F	REAL300000455793	1	38	-2.0	-95.91	362.19	3.85	-92.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(S(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000455794	1	37	-2.0	-111.81	350.81	3.21	-108.60
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000455795	0	34	-2.0	-105.72	336.22	2.62	-103.10
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000455796	0	31	-2.0	-103.49	323.92	1.57	-101.92
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300000455797	1	37	-2.0	-109.83	346.17	3.34	-106.49
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(S(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000455798	0	35	-2.0	-107.58	337.39	1.91	-105.67
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(S(C)(=O)=O)=C2)=C1	REAL300000455799	0	34	-2.0	-98.67	339.85	2.23	-96.44
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000455800	0	31	-2.0	-103.36	322.40	1.59	-101.77
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(S(C)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000455801	0	34	-2.0	-103.11	333.75	1.69	-101.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(S(C)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300000455802	0	34	-2.0	-106.37	339.34	2.45	-103.92
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000455803	1	34	-2.0	-96.27	335.26	2.60	-93.67
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000455804	0	31	-2.0	-97.65	323.01	1.69	-95.96
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000455805	1	34	-2.0	-100.19	337.15	2.63	-97.56
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000455806	0	34	-2.0	-95.52	336.21	2.63	-92.89
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000455807	0	35	-2.0	-108.44	340.46	0.27	-108.17
CS(=O)(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000455807	1	35	-2.0	-102.62	329.47	1.16	-101.46
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000455808	1	37	-2.0	-99.35	352.91	3.34	-96.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300000455809	1	37	-2.0	-104.06	340.81	3.20	-100.86
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(S(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000455811	0	38	-2.0	-108.87	358.76	2.77	-106.10
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(S(C)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000455812	1	37	-2.0	-96.39	346.75	3.10	-93.29
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000455813	0	34	-2.0	-111.47	334.40	2.59	-108.88
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000455814	0	33	-2.0	-106.55	326.96	0.68	-105.87
CS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000455815	0	31	-2.0	-96.77	330.88	1.53	-95.24
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(S(C)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000455816	0	37	-2.0	-102.95	352.87	2.54	-100.41
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000455817	0	35	-2.0	-107.38	339.74	3.11	-104.27
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000455817	1	34	-3.0	-181.38	336.16	3.86	-177.52
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000455818	0	35	-2.0	-97.30	335.17	3.09	-94.21
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000455819	0	35	-2.0	-109.88	335.20	3.08	-106.80
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000455819	1	34	-3.0	-185.24	331.63	3.83	-181.41
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000455820	0	39	-2.0	-114.40	363.34	2.87	-111.53
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000455820	1	38	-3.0	-190.97	359.77	3.62	-187.35
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000455821	0	39	-2.0	-96.36	366.64	4.37	-91.99
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000455821	1	38	-3.0	-168.98	363.10	5.12	-163.86
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000455822	0	38	-2.0	-111.15	351.21	3.61	-107.54
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000455823	0	41	-2.0	-111.71	368.30	4.42	-107.29
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000455823	1	40	-3.0	-187.46	364.29	5.17	-182.29
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000455824	0	35	-2.0	-106.50	340.67	3.14	-103.36
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000455824	1	34	-3.0	-182.05	337.11	3.89	-178.16
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000455825	0	41	-2.0	-95.56	378.78	4.67	-90.89
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000455825	1	40	-3.0	-168.76	375.21	5.42	-163.34
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000455826	0	32	-2.0	-104.21	328.38	2.10	-102.11
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000455826	1	31	-3.0	-177.60	324.82	2.85	-174.75
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000455827	0	38	-2.0	-109.82	350.63	3.86	-105.96
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000455827	1	37	-3.0	-185.03	347.06	4.61	-180.42
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000455828	0	39	-2.0	-95.16	366.26	3.36	-91.80
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000455829	0	36	-2.0	-107.79	341.84	2.42	-105.37
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000455829	1	35	-3.0	-182.69	338.28	3.17	-179.52
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000455830	0	39	-2.0	-110.02	359.40	1.89	-108.13
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000455831	0	35	-2.0	-100.42	344.30	2.76	-97.66
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000455831	1	34	-3.0	-172.95	340.74	3.51	-169.44
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000455832	0	41	-2.0	-110.43	366.65	4.40	-106.03
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000455833	0	32	-2.0	-105.60	326.84	2.11	-103.49
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000455833	1	31	-3.0	-179.54	323.28	2.86	-176.68
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000455834	0	39	-2.0	-115.78	362.48	3.15	-112.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(O)C=C1C(=O)OC	REAL300000455835	0	41	-2.0	-107.05	360.83	4.61	-102.44
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C([O-])C=C1C(=O)OC	REAL300000455835	1	40	-3.0	-182.39	357.29	5.36	-177.03
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000455836	0	35	-2.0	-102.87	338.20	2.22	-100.65
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000455836	1	34	-3.0	-175.37	334.63	2.97	-172.40
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000455837	0	39	-2.0	-110.85	364.18	2.16	-108.69
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000455837	1	38	-3.0	-186.98	360.62	2.91	-184.07
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000455838	0	35	-2.0	-105.77	344.89	2.96	-102.81
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000455838	1	34	-3.0	-180.16	341.32	3.71	-176.45
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000455839	0	35	-2.0	-96.91	339.72	3.12	-93.79
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000455839	1	34	-3.0	-168.22	336.14	3.87	-164.35
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000455840	0	32	-2.0	-98.94	327.45	2.21	-96.73
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000455840	1	31	-3.0	-171.33	323.89	2.96	-168.37
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000455841	0	35	-2.0	-100.35	341.60	3.14	-97.21
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000455841	1	34	-3.0	-174.87	338.05	3.90	-170.97
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000455842	0	35	-2.0	-96.79	340.66	3.15	-93.64
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000455842	1	34	-3.0	-169.56	337.09	3.90	-165.66
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000455843	0	36	-2.0	-108.10	344.91	0.79	-107.31
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000455843	1	35	-3.0	-183.22	341.35	1.53	-181.69
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000455844	0	38	-2.0	-100.33	357.38	3.86	-96.47
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000455844	1	37	-3.0	-174.32	353.82	4.61	-169.71
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000455845	0	38	-2.0	-106.61	345.23	3.72	-102.89
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000455845	1	37	-3.0	-182.40	341.67	4.47	-177.93
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000455846	0	38	-2.0	-97.27	350.61	3.86	-93.41
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000455847	0	41	-2.0	-112.40	368.66	4.16	-108.24
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000455848	0	41	-2.0	-110.49	369.67	4.47	-106.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(O)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000455849	0	41	-2.0	-111.87	369.52	4.27	-107.60
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(O)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000455850	0	39	-2.0	-109.61	363.15	3.28	-106.33
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C([O-])C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000455850	1	38	-3.0	-184.27	359.58	4.03	-180.24
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000455851	0	38	-2.0	-97.51	351.20	3.62	-93.89
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000455852	0	35	-2.0	-114.75	338.82	3.10	-111.65
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000455852	1	34	-3.0	-190.88	335.26	3.85	-187.03
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000455853	0	34	-2.0	-105.70	332.17	1.13	-104.57
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000455853	1	33	-3.0	-180.82	328.60	1.88	-178.94
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000455854	0	39	-2.0	-101.28	363.40	2.87	-98.41
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000455854	1	38	-3.0	-174.90	359.83	3.62	-171.28
COC(=O)C1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000455855	0	32	-2.0	-97.30	335.30	2.05	-95.25
COC(=O)C1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000455855	1	31	-3.0	-169.41	331.73	2.80	-166.61
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(O)C=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000455856	0	38	-2.0	-101.94	353.52	2.95	-98.99
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C([O-])C=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000455856	1	37	-3.0	-175.00	349.99	3.71	-171.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=C(F)C(F)=C3)=C2)C=C1	REAL300000455857	1	38	-2.0	-92.78	352.54	8.55	-84.23
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=C(F)C(F)=C3)=C2)=C1	REAL300000455858	1	38	-2.0	-105.09	352.55	8.54	-96.55
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=C(F)C(F)=C3)=C2)=C1	REAL300000455859	0	35	-2.0	-99.49	345.74	7.55	-91.94
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=C(F)C(F)=C3)=C2)C=C1C(=O)[O-]	REAL300000455860	0	39	-2.0	-103.48	359.20	7.90	-95.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=C(F)C(F)=C3)=C2)=CS1	REAL300000455861	0	35	-2.0	-100.75	344.21	7.57	-93.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=C(F)C(F)=C3)=C2)C=C(C(=O)[O-])O1	REAL300000455862	0	38	-2.0	-99.38	355.56	7.69	-91.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=C(F)C(F)=C3)=C2)S1	REAL300000455863	0	35	-2.0	-94.48	344.82	7.67	-86.81
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=C(F)C(F)=C3)=C2)=C1	REAL300000455864	0	37	-2.0	-102.48	349.54	6.59	-95.89
COCCN(C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000455892	0	41	-2.0	-109.33	372.16	7.01	-102.32
COCCN(C1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000455917	0	39	-2.0	-107.91	345.21	5.15	-102.76
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000455962	1	32	-2.0	-107.12	316.59	4.94	-102.18
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000455964	1	29	-2.0	-104.29	304.31	3.90	-100.39
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000455969	1	32	-2.0	-100.29	320.23	4.56	-95.73
COC1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000455977	0	35	-2.0	-109.20	338.94	5.36	-103.84
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000455991	1	29	-2.0	-99.06	303.38	4.00	-95.06
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000455993	1	35	-2.0	-108.66	336.87	5.58	-103.08
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000455994	1	32	-2.0	-96.74	316.58	4.94	-91.80
COC1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000456000	0	33	-2.0	-112.68	315.76	2.93	-109.75
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000456008	1	32	-2.0	-98.83	322.88	5.00	-93.83
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000456010	1	35	-2.0	-109.48	336.36	5.56	-103.92
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000456012	1	35	-2.0	-114.45	336.16	5.57	-108.88
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000456022	1	34	-2.0	-116.53	334.85	6.72	-109.81
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000456023	1	32	-2.0	-113.58	314.75	4.90	-108.68
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000456026	0	31	-2.0	-106.99	308.09	2.93	-104.06
COC1=CC=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000456028	1	29	-2.0	-97.62	311.22	3.85	-93.77
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)SC=N1	REAL300000456032	0	40	-2.0	-84.64	373.05	2.84	-81.80
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)SC=N1	REAL300000456033	0	33	-2.0	-100.34	321.13	4.28	-96.06
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)N=CS1	REAL300000456034	0	41	-2.0	-101.53	376.22	5.35	-96.18
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)SC=N1	REAL300000456035	0	33	-2.0	-90.46	316.58	4.26	-86.20
CC(C)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)SC=N1	REAL300000456036	0	33	-2.0	-102.62	316.60	4.25	-98.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)N=CS1	REAL300000456037	0	37	-2.0	-107.67	344.74	4.05	-103.62
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)SC=N1	REAL300000456038	0	37	-2.0	-90.49	348.05	5.55	-84.94
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C=C1C(=O)[O-]	REAL300000456039	0	36	-2.0	-103.69	332.62	4.78	-98.91
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)SC=N1	REAL300000456040	0	33	-2.0	-98.26	329.67	4.81	-93.45
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)SC=N1	REAL300000456041	0	33	-2.0	-98.61	329.10	4.64	-93.97
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)SC=N1	REAL300000456042	0	33	-2.0	-94.02	342.17	5.20	-88.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)=C1C	REAL300000456043	0	39	-2.0	-105.22	348.99	5.56	-99.66
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)SC=N1	REAL300000456044	0	33	-2.0	-99.76	322.06	4.31	-95.45
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)SC=N1	REAL300000456045	0	39	-2.0	-89.63	360.17	5.83	-83.80
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)SC=N1	REAL300000456046	0	30	-2.0	-96.96	309.79	3.27	-93.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)N=CS1	REAL300000456047	0	36	-2.0	-103.47	332.03	5.03	-98.44
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)SC=N1	REAL300000456048	0	37	-2.0	-89.14	347.66	4.54	-84.60
CC(C)C1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)SC=N1	REAL300000456049	0	34	-2.0	-100.77	323.25	3.60	-97.17
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)N=CS1	REAL300000456050	0	37	-2.0	-104.28	340.38	3.09	-101.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)=C1	REAL300000456051	0	33	-2.0	-93.18	325.71	3.94	-89.24
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C=C1C(=O)[O-]	REAL300000456052	0	39	-2.0	-105.93	352.05	5.67	-100.26
CC(C)C1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)SC=N1	REAL300000456053	0	30	-2.0	-98.39	308.25	3.28	-95.11
COC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)=CC(C(=O)[O-])=C1OC	REAL300000456054	0	41	-2.0	-103.07	374.92	4.06	-99.01
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C=C1C(=O)[O-]	REAL300000456055	0	37	-2.0	-108.53	343.89	4.32	-104.21
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)SC=N1	REAL300000456056	0	43	-2.0	-107.00	371.83	6.89	-100.11
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)SC=N1	REAL300000456057	0	42	-2.0	-105.51	370.50	6.26	-99.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)N=CS1	REAL300000456058	0	39	-2.0	-101.98	345.36	5.93	-96.05
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)N=CS1	REAL300000456059	0	40	-2.0	-107.49	367.03	4.82	-102.67
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)SC=N1	REAL300000456060	0	35	-3.0	-176.55	345.00	4.82	-171.73
CC(C)C1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)SC=N1	REAL300000456060	1	36	-2.0	-107.06	336.52	4.46	-102.60
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)SC=N1	REAL300000456061	0	40	-2.0	-107.35	360.84	6.15	-101.20
CC1=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C=C(C(=O)[O-])O1	REAL300000456062	0	33	-2.0	-96.58	319.60	3.39	-93.19
CC(C)C1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)SC=N1	REAL300000456063	0	39	-2.0	-107.38	358.77	4.02	-103.36
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)=C1	REAL300000456064	0	37	-2.0	-103.57	345.52	3.34	-100.23
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)SC=N1	REAL300000456065	0	41	-2.0	-89.69	369.51	4.86	-84.83
CC(C)C1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)SC=N1	REAL300000456066	0	33	-2.0	-92.52	344.27	5.10	-87.42
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)SC=N1	REAL300000456067	0	33	-2.0	-95.18	334.19	4.84	-90.34
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)SC=N1	REAL300000456068	0	37	-2.0	-87.80	363.69	5.07	-82.73
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)=CC=C1OCC(=O)[O-]	REAL300000456069	0	40	-2.0	-89.58	367.75	5.23	-84.35
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)N=CS1	REAL300000456070	0	36	-2.0	-94.52	336.90	5.09	-89.43
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)=CC=C1OCCCC(=O)[O-]	REAL300000456071	0	46	-2.0	-89.92	410.21	6.16	-83.76
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)SC=N1	REAL300000456072	0	37	-2.0	-88.77	353.89	4.59	-84.18
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C=C1C(=O)[O-]	REAL300000456073	0	40	-2.0	-109.19	365.73	5.23	-103.96
CC1=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C=C(C(=O)[O-])S1	REAL300000456074	0	33	-2.0	-99.83	326.29	4.14	-95.69
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)SC=N1	REAL300000456075	0	33	-2.0	-92.13	344.82	5.27	-86.86
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)SC=N1	REAL300000456076	0	33	-2.0	-88.09	329.66	4.81	-83.28
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)SC=N1	REAL300000456077	0	33	-2.0	-90.04	321.11	4.29	-85.75
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)SC=N1	REAL300000456078	0	30	-2.0	-92.03	308.85	3.38	-88.65
CC(C)C1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)SC=N1	REAL300000456079	0	33	-2.0	-93.65	323.00	4.32	-89.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)=C1F	REAL300000456080	0	36	-2.0	-101.10	342.35	4.96	-96.14
COC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)=C(Cl)C=C1C(=O)[O-]	REAL300000456081	0	37	-2.0	-92.69	356.90	4.88	-87.81
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)SC=N1	REAL300000456082	0	33	-2.0	-89.85	322.05	4.32	-85.53
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)SC=N1	REAL300000456083	0	33	-2.0	-88.11	329.08	4.65	-83.46
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)N=CS1	REAL300000456084	0	36	-2.0	-96.15	345.63	5.48	-90.67
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)SC=N1	REAL300000456085	0	41	-2.0	-87.47	380.34	5.66	-81.81
CC(C)C1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)SC=N1	REAL300000456086	0	33	-2.0	-92.12	327.42	4.34	-87.78
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)SC=N1	REAL300000456087	0	35	-2.0	-88.08	344.79	4.92	-83.16
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)SC=N1	REAL300000456088	0	34	-2.0	-102.24	326.31	1.97	-100.27
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)SC=N1	REAL300000456089	0	36	-2.0	-94.02	338.77	5.03	-88.99
CC(C)C1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)SC=N1	REAL300000456090	0	33	-2.0	-93.43	337.30	4.78	-88.65
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)N=CS1	REAL300000456091	0	36	-2.0	-98.81	326.64	4.90	-93.91
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)=CC(C(=O)[O-])=C1F	REAL300000456092	0	36	-2.0	-101.60	341.44	4.90	-96.70
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)N=CS1	REAL300000456093	0	36	-2.0	-90.67	332.01	5.02	-85.65
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)=CC(C(=O)[O-])=C1C	REAL300000456094	0	39	-2.0	-106.89	353.44	5.41	-101.48
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)SC=N1	REAL300000456095	0	35	-2.0	-101.44	343.15	5.35	-96.09
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)SC=N1	REAL300000456096	0	33	-2.0	-91.59	328.33	4.38	-87.21
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C(C)=C1C(=O)[O-]	REAL300000456097	0	39	-2.0	-103.18	350.13	5.66	-97.52
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C=C1C(=O)[O-]	REAL300000456098	0	36	-2.0	-101.97	341.91	4.95	-97.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)=C1Cl	REAL300000456099	0	36	-2.0	-99.91	348.36	5.39	-94.52
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)=C1	REAL300000456100	0	36	-2.0	-107.32	341.61	4.94	-102.38
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C=C1C(=O)[O-]	REAL300000456101	0	39	-2.0	-104.34	350.92	5.44	-98.90
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C=C1CC(=O)[O-]	REAL300000456102	0	40	-2.0	-105.03	367.06	4.38	-100.65
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(C)C)N=CS1	REAL300000456103	0	36	-2.0	-92.27	342.86	5.44	-86.83
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)SC=N1	REAL300000456104	0	36	-2.0	-87.20	346.71	5.05	-82.15
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)=CC(C(=O)[O-])=C1Cl	REAL300000456105	0	36	-2.0	-100.32	347.83	5.21	-95.11
CCN1C=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C=C1C(=O)[O-]	REAL300000456106	0	37	-2.0	-102.07	344.63	4.46	-97.61
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C(C)=C1CC(=O)[O-]	REAL300000456107	0	45	-2.0	-101.91	381.51	7.10	-94.81
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)SC=N1	REAL300000456108	0	33	-2.0	-90.54	342.20	4.81	-85.73
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C=C1C(=O)[O-]	REAL300000456109	0	36	-2.0	-97.16	350.37	5.32	-91.84
CC(C)C1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)SC=N1	REAL300000456110	0	42	-2.0	-99.51	366.48	6.38	-93.13
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C=C1C(=O)[O-]	REAL300000456111	0	37	-2.0	-103.81	356.92	4.88	-98.93
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)=CC=C1C(=O)[O-]	REAL300000456112	0	36	-2.0	-92.08	336.65	4.90	-87.18
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])SC=N1	REAL300000456113	0	38	-2.0	-94.94	359.85	6.46	-88.48
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)N=CS1	REAL300000456114	0	36	-2.0	-101.42	336.13	5.09	-96.33
CC(C)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])SC=N1	REAL300000456115	0	35	-2.0	-109.89	340.34	6.10	-103.79
CC(C)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)SC=N1	REAL300000456116	0	33	-2.0	-106.77	320.23	4.28	-102.49
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C=C1C(=O)[O-]	REAL300000456117	0	36	-2.0	-95.37	341.55	4.93	-90.44
CC(C)C1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)SC=N1	REAL300000456118	0	39	-2.0	-110.75	357.64	6.37	-104.38
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)SC=N1	REAL300000456119	0	32	-2.0	-100.34	312.81	2.37	-97.97
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)N=CS1	REAL300000456120	0	37	-2.0	-94.38	344.79	4.06	-90.32
CC(C)C1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)SC=N1	REAL300000456121	0	30	-2.0	-90.54	316.70	3.23	-87.31
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)SC=N1	REAL300000456122	0	40	-2.0	-96.92	362.72	6.14	-90.78
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)SC=N1	REAL300000456123	0	40	-2.0	-99.61	360.68	6.11	-93.50
CCC1=C(S(=O)(=O)[N-]C2=C(C(C)C)N=CS2)C=C(C(=O)[O-])O1	REAL300000456124	0	36	-2.0	-96.38	338.72	4.25	-92.13
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000456125	0	34	-2.0	-105.87	329.68	6.12	-99.75
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000456126	0	34	-2.0	-96.48	326.64	6.18	-90.30
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000456127	0	34	-2.0	-108.23	325.15	6.09	-102.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C(C)=O	REAL300000456128	0	38	-2.0	-112.53	354.79	5.97	-106.56
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000456129	0	38	-2.0	-95.01	358.10	7.46	-87.55
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000456130	0	37	-2.0	-109.38	341.17	6.62	-102.76
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000456131	0	34	-2.0	-102.74	338.23	6.66	-96.08
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000456132	0	34	-2.0	-104.31	339.15	6.56	-97.75
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000456133	0	40	-2.0	-109.66	358.26	7.43	-102.23
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000456134	0	34	-2.0	-104.78	330.62	6.15	-98.63
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000456135	0	40	-2.0	-93.97	368.73	7.68	-86.29
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000456136	0	31	-2.0	-102.89	317.63	5.11	-97.78
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000456137	0	37	-2.0	-107.82	340.59	6.88	-100.94
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000456138	0	38	-2.0	-93.63	356.23	6.38	-87.25
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000456139	0	35	-2.0	-106.73	331.09	5.43	-101.30
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000456140	1	38	-2.0	-108.42	348.22	4.91	-103.51
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000456141	0	34	-2.0	-99.32	334.26	5.77	-93.55
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000456142	0	40	-2.0	-110.31	360.60	7.52	-102.79
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000456143	0	31	-2.0	-103.70	316.10	5.11	-98.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000456144	0	38	-2.0	-114.00	352.44	6.16	-107.84
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000456145	0	44	-2.0	-111.87	379.68	8.70	-103.17
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000456146	0	43	-2.0	-109.48	378.12	8.10	-101.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C(C)=O	REAL300000456147	0	40	-2.0	-104.97	352.25	7.82	-97.15
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C(C)=O	REAL300000456148	0	41	-2.0	-113.39	374.87	6.64	-106.75
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000456149	0	36	-3.0	-185.71	355.05	6.73	-178.98
CC(=O)C1=CC(C#N)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000456149	1	37	-2.0	-109.82	351.74	6.64	-103.18
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000456150	0	41	-2.0	-112.36	370.89	8.07	-104.29
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000456151	0	34	-2.0	-102.05	329.66	5.32	-96.73
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000456152	0	38	-2.0	-110.34	354.07	5.19	-105.15
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000456153	0	34	-2.0	-99.62	342.03	6.68	-92.94
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000456154	0	41	-2.0	-94.34	377.80	7.16	-87.18
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000456155	0	37	-2.0	-99.23	347.36	6.99	-92.24
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000456156	0	38	-2.0	-93.08	361.74	6.42	-86.66
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000456157	0	41	-2.0	-114.92	375.79	7.14	-107.78
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000456158	0	34	-2.0	-104.40	334.84	5.98	-98.42
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000456159	0	34	-2.0	-93.33	337.49	6.63	-86.70
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000456160	0	34	-2.0	-95.94	329.69	6.13	-89.81
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000456161	0	31	-2.0	-98.05	317.41	5.22	-92.83
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000456162	0	34	-2.0	-99.44	331.57	6.16	-93.28
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000456163	0	37	-2.0	-106.24	350.18	6.77	-99.47
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000456164	0	34	-2.0	-95.58	329.90	6.14	-89.44
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000456165	0	34	-2.0	-93.63	336.95	6.47	-87.16
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000456166	0	37	-2.0	-100.68	356.09	7.38	-93.30
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000456167	0	34	-2.0	-97.84	337.47	6.26	-91.58
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000456168	0	36	-2.0	-93.31	352.63	6.74	-86.57
CC(=O)C1=CC(C#N)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000456169	0	35	-2.0	-106.93	330.09	4.75	-102.18
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000456169	1	34	-3.0	-205.18	330.59	4.68	-200.50
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000456170	0	37	-2.0	-98.51	346.62	6.86	-91.65
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000456171	0	34	-2.0	-99.03	345.14	6.60	-92.43
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000456172	0	37	-2.0	-105.15	335.18	6.74	-98.41
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000456173	0	37	-2.0	-107.35	349.98	6.74	-100.61
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000456174	0	37	-2.0	-96.06	340.56	6.87	-89.19
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000456175	0	40	-2.0	-111.63	359.52	7.24	-104.39
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000456176	0	36	-2.0	-107.02	351.01	7.17	-99.85
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000456177	0	34	-2.0	-97.17	338.39	6.29	-90.88
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000456178	0	40	-2.0	-109.27	357.96	7.47	-101.80
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000456179	0	37	-2.0	-107.32	351.96	6.88	-100.44
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000456180	0	37	-2.0	-104.61	356.94	7.24	-97.37
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000456181	0	37	-2.0	-114.14	350.18	6.78	-107.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000456182	0	40	-2.0	-109.55	358.73	7.26	-102.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C(C)=O)C=C1CC(=O)[O-]	REAL300000456183	0	41	-2.0	-111.45	374.91	6.20	-105.25
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000456184	0	37	-2.0	-98.53	352.91	7.36	-91.17
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000456185	0	37	-2.0	-106.06	356.37	7.05	-99.01
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000456186	0	38	-2.0	-108.03	353.18	6.31	-101.72
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000456187	0	37	-2.0	-101.74	355.01	7.06	-94.68
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000456188	0	37	-2.0	-97.76	343.81	6.69	-91.07
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000456189	0	37	-2.0	-105.34	344.39	6.90	-98.44
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000456190	0	36	-2.0	-115.57	350.39	8.03	-107.54
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000456191	0	34	-2.0	-113.28	328.81	6.13	-107.15
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000456192	0	37	-2.0	-100.35	347.81	6.74	-93.61
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000456193	0	40	-2.0	-116.69	366.19	8.21	-108.48
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000456194	0	33	-2.0	-106.46	322.86	4.30	-102.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C(C)=O	REAL300000456195	0	38	-2.0	-100.04	353.35	5.89	-94.15
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000456196	0	31	-2.0	-96.25	325.26	5.08	-91.17
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000456197	0	41	-2.0	-101.94	371.28	7.98	-93.96
CC(=O)C1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000456198	0	41	-2.0	-105.59	368.53	7.94	-97.65
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C(C)=O)C=C(C(=O)[O-])O1	REAL300000456199	0	37	-2.0	-100.82	343.18	6.06	-94.76
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1F	REAL300000456203	1	38	-2.0	-114.16	352.94	5.50	-108.66
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1F	REAL300000456206	1	34	-2.0	-104.65	337.87	6.28	-98.37
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1F	REAL300000456209	1	34	-2.0	-106.37	330.28	5.77	-100.60
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1F	REAL300000456211	0	31	-2.0	-104.87	317.98	4.73	-100.14
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1F	REAL300000456216	1	34	-2.0	-101.21	333.91	5.39	-95.82
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1F	REAL300000456222	1	41	-2.0	-116.07	375.23	6.27	-109.80
COC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1F	REAL300000456223	0	37	-2.0	-110.38	353.28	6.20	-104.18
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1F	REAL300000456225	1	34	-2.0	-103.58	327.81	4.84	-98.74
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1F	REAL300000456226	1	38	-2.0	-113.35	353.72	4.81	-108.54
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1F	REAL300000456233	1	31	-2.0	-99.96	317.06	4.83	-95.13
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1F	REAL300000456235	1	37	-2.0	-107.79	350.55	6.41	-101.38
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1F	REAL300000456236	1	34	-2.0	-97.96	330.26	5.78	-92.18
COC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1F	REAL300000456240	0	35	-2.0	-107.82	332.79	4.27	-103.55
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1F	REAL300000456247	1	34	-2.0	-98.66	336.54	5.83	-92.83
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1F	REAL300000456249	1	37	-2.0	-107.51	346.28	6.31	-101.20
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1F	REAL300000456250	1	37	-2.0	-116.87	349.84	6.40	-110.47
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1F	REAL300000456256	0	36	-2.0	-119.36	348.53	7.56	-111.80
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000456257	1	34	-2.0	-116.13	328.44	5.73	-110.40
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1F	REAL300000456259	0	33	-2.0	-105.79	321.79	3.76	-102.03
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1F	REAL300000456260	1	38	-2.0	-102.23	353.00	5.50	-96.73
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1F	REAL300000456261	0	31	-2.0	-97.97	324.91	4.68	-93.29
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2F)C=C(C(=O)[O-])O1	REAL300000456264	1	37	-2.0	-103.03	346.92	5.69	-97.34
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1	REAL300000456265	0	37	-2.0	-81.81	344.04	4.04	-77.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC=C1F	REAL300000456266	1	30	-2.0	-96.81	292.12	5.48	-91.33
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN2N=CN=C2C=C1	REAL300000456267	0	38	-2.0	-97.32	347.20	6.54	-90.78
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456268	0	30	-2.0	-93.55	304.01	6.17	-87.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1	REAL300000456269	1	30	-2.0	-87.59	287.56	5.46	-82.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456270	0	30	-2.0	-98.56	287.58	5.45	-93.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN2N=CN=C2C=C1	REAL300000456271	0	34	-2.0	-102.83	315.72	5.25	-97.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC=C1Br	REAL300000456272	0	30	-2.0	-94.28	303.83	5.94	-88.34
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1	REAL300000456273	0	34	-2.0	-87.53	319.04	6.74	-80.79
CC1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000456274	1	33	-2.0	-99.48	303.60	5.98	-93.50
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456275	0	30	-2.0	-94.06	300.66	6.03	-88.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC=C1Cl	REAL300000456276	0	30	-2.0	-94.86	300.09	5.84	-89.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C(Cl)C=C1Cl	REAL300000456277	0	30	-2.0	-90.15	313.15	6.40	-83.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1C	REAL300000456278	1	36	-2.0	-100.74	319.98	6.76	-93.98
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456279	0	30	-2.0	-95.07	293.06	5.51	-89.56
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1	REAL300000456280	0	36	-2.0	-86.35	331.15	7.03	-79.32
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456281	0	27	-2.0	-93.41	280.77	4.46	-88.95
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN2N=CN=C2C=C1	REAL300000456282	1	33	-2.0	-99.09	303.01	6.23	-92.86
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1	REAL300000456283	1	34	-2.0	-86.13	318.65	5.73	-80.40
CN1C=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000456284	0	31	-2.0	-97.28	294.23	4.80	-92.48
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN2N=CN=C2C=C1	REAL300000456285	1	34	-2.0	-99.70	311.79	4.26	-95.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456286	0	30	-2.0	-89.86	296.71	5.13	-84.73
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000456287	1	36	-2.0	-100.02	319.04	6.77	-93.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CS1	REAL300000456288	0	27	-2.0	-94.84	279.23	4.48	-90.36
COC1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC(C(=O)[O-])=C1OC	REAL300000456289	0	38	-2.0	-99.06	345.89	5.26	-93.80
COC1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000456290	1	34	-2.0	-104.45	314.87	5.52	-98.93
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456291	0	40	-2.0	-102.22	342.84	8.06	-94.16
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN2N=CN=C2C=C1	REAL300000456292	0	39	-2.0	-100.79	341.48	7.46	-93.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN2N=CN=C2C=C1	REAL300000456293	0	36	-2.0	-97.58	317.72	7.18	-90.40
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN2N=CN=C2C=C1	REAL300000456294	0	37	-2.0	-103.57	338.01	6.01	-97.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000456295	0	32	-3.0	-171.78	315.99	6.01	-165.77
O=C([O-])C1=CC(S(=O)(=O)NC2=CN3N=CN=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000456295	1	33	-2.0	-121.32	311.79	5.59	-115.73
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456296	0	37	-2.0	-102.56	331.83	7.35	-95.21
CC1=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C(C(=O)[O-])O1	REAL300000456297	0	30	-2.0	-93.22	290.59	4.59	-88.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC2=C1OCCO2	REAL300000456298	0	36	-2.0	-103.30	329.76	5.22	-98.08
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456299	0	34	-2.0	-99.99	316.57	4.54	-95.45
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN4N=CN=C4C=C3)C=C2C1	REAL300000456300	1	38	-2.0	-86.26	340.50	6.04	-80.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC(Cl)=C1Cl	REAL300000456301	0	30	-2.0	-88.91	315.26	6.29	-82.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C(Cl)C=C1F	REAL300000456302	0	30	-2.0	-91.53	305.18	6.03	-85.50
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1Cl	REAL300000456303	1	34	-2.0	-85.11	334.68	6.26	-78.85
CC1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC=C1OCC(=O)[O-]	REAL300000456304	1	37	-2.0	-86.58	338.74	6.42	-80.16
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1F	REAL300000456305	0	40	-2.0	-86.06	367.34	6.69	-79.37
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN2N=CN=C2C=C1	REAL300000456306	0	33	-2.0	-90.48	308.31	6.26	-84.22
CC1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC=C1OCCCC(=O)[O-]	REAL300000456307	1	43	-2.0	-86.67	381.17	7.36	-79.31
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1F	REAL300000456308	0	34	-2.0	-86.17	324.88	5.79	-80.38
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000456309	1	37	-2.0	-105.07	336.72	6.43	-98.64
CC1=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C(C(=O)[O-])S1	REAL300000456310	0	30	-2.0	-96.05	296.18	5.34	-90.71
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456311	0	30	-2.0	-88.29	315.80	6.48	-81.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C(Cl)=C1	REAL300000456312	0	30	-2.0	-85.44	300.64	6.02	-79.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C(Br)=C1	REAL300000456313	0	30	-2.0	-85.13	303.99	6.16	-78.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1F	REAL300000456314	0	30	-2.0	-87.58	292.11	5.49	-82.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)S1	REAL300000456315	0	27	-2.0	-88.83	279.85	4.57	-84.26
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456316	0	30	-2.0	-90.06	293.99	5.51	-84.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1F	REAL300000456317	0	33	-2.0	-96.33	313.36	6.14	-90.19
COC1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000456318	0	34	-2.0	-90.18	327.89	6.07	-84.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C(F)=C1	REAL300000456319	0	30	-2.0	-86.76	293.05	5.52	-81.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1Cl	REAL300000456320	0	30	-2.0	-85.44	300.08	5.85	-79.59
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN2N=CN=C2C=C1	REAL300000456321	0	33	-2.0	-91.90	317.04	6.65	-85.25
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1	REAL300000456322	0	38	-2.0	-84.60	351.33	6.86	-77.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1Br	REAL300000456323	0	30	-2.0	-84.91	303.82	5.95	-78.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC(F)=C1F	REAL300000456324	0	30	-2.0	-89.00	298.40	5.53	-83.47
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456325	0	32	-2.0	-84.79	315.77	6.11	-78.68
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456326	0	31	-2.0	-97.88	297.30	3.16	-94.72
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1	REAL300000456327	0	33	-2.0	-90.03	309.75	6.22	-83.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC(Cl)=C1F	REAL300000456328	0	30	-2.0	-90.17	308.29	5.97	-84.20
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN2N=CN=C2C=C1	REAL300000456329	1	33	-2.0	-95.54	297.65	6.09	-89.45
CC1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC(C(=O)[O-])=C1F	REAL300000456330	1	33	-2.0	-97.97	312.42	6.09	-91.88
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN2N=CN=C2C=C1	REAL300000456331	1	33	-2.0	-87.95	302.99	6.22	-81.73
CC1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC(C(=O)[O-])=C1C	REAL300000456332	1	36	-2.0	-102.43	325.08	6.65	-95.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC=C1[N+](=O)[O-]	REAL300000456333	0	32	-2.0	-98.64	314.14	6.55	-92.09
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456334	0	30	-2.0	-87.47	299.34	5.57	-81.90
CC1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C(C)=C1C(=O)[O-]	REAL300000456335	1	36	-2.0	-99.83	322.06	6.84	-92.99
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000456336	0	33	-2.0	-95.97	309.06	6.05	-89.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1Cl	REAL300000456337	0	33	-2.0	-95.59	319.33	6.59	-89.00
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456338	0	33	-2.0	-103.57	312.62	6.14	-97.43
CCC1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000456339	1	36	-2.0	-100.02	321.82	6.64	-93.38
COC1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1CC(=O)[O-]	REAL300000456340	1	37	-2.0	-99.87	338.05	5.57	-94.30
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN2N=CN=C2C=C1	REAL300000456341	0	33	-2.0	-89.11	313.85	6.64	-82.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1C(F)(F)F	REAL300000456342	0	33	-2.0	-84.60	317.71	6.25	-78.35
CC1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000456343	0	33	-2.0	-96.37	318.81	6.40	-89.97
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456344	0	30	-2.0	-91.71	308.87	6.05	-85.66
CCN1C=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000456345	0	34	-2.0	-98.40	315.60	5.66	-92.74
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C(C)=C1CC(=O)[O-]	REAL300000456346	1	42	-2.0	-97.58	352.50	8.30	-89.28
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CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000456348	0	33	-2.0	-93.29	321.32	6.51	-86.78
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C(C(=O)[O-])S1	REAL300000456349	0	39	-2.0	-96.07	337.05	7.58	-88.49
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000456350	0	34	-2.0	-99.62	327.91	6.08	-93.54
CC1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC=C1C(=O)[O-]	REAL300000456351	1	33	-2.0	-87.56	303.59	5.99	-81.57
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C([N+](=O)[O-])=C1	REAL300000456352	0	35	-2.0	-92.41	330.85	7.63	-84.78
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN2N=CN=C2C=C1	REAL300000456353	1	33	-2.0	-97.17	307.54	6.26	-90.91
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1[N+](=O)[O-]	REAL300000456354	0	32	-2.0	-106.38	311.31	7.30	-99.08
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1F	REAL300000456355	0	30	-2.0	-103.01	291.25	5.48	-97.53
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000456356	0	33	-2.0	-91.66	312.52	6.12	-85.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=CC2=CC=CC=C21	REAL300000456357	0	36	-2.0	-106.33	328.62	7.57	-98.76
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C1	REAL300000456358	0	29	-2.0	-94.90	284.57	3.51	-91.39
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN2N=CN=C2C=C1	REAL300000456359	0	34	-2.0	-91.13	315.79	5.25	-85.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)=C(Cl)O1	REAL300000456360	0	27	-2.0	-87.39	287.73	4.42	-82.97
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN4N=CN=C4C=C3)C=C2)CC1	REAL300000456361	0	37	-2.0	-93.46	333.71	7.32	-86.14
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN4N=CN=C4C=C3)C=C2C1	REAL300000456362	0	37	-2.0	-97.00	333.02	7.33	-89.67
CCC1=C(S(=O)(=O)[N-]C2=CN3N=CN=C3C=C2)C=C(C(=O)[O-])O1	REAL300000456363	0	33	-2.0	-92.98	309.72	5.44	-87.54
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000456364	1	39	-2.0	-92.84	364.40	4.77	-88.07
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000456365	1	32	-2.0	-110.25	312.46	6.21	-104.04
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC#N)=C1	REAL300000456366	0	40	-2.0	-109.46	367.58	7.26	-102.20
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=C1	REAL300000456367	0	32	-2.0	-105.84	324.34	6.89	-98.95
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000456369	1	32	-2.0	-110.65	307.92	6.18	-104.47
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC#N)=C1	REAL300000456370	0	36	-2.0	-116.41	336.08	5.98	-110.43
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000456371	1	32	-2.0	-108.20	324.18	6.67	-101.53
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000456372	1	36	-2.0	-98.90	339.39	7.48	-91.42
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000456374	0	32	-2.0	-106.63	320.99	6.75	-99.88
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000456375	1	32	-2.0	-108.60	320.44	6.57	-102.03
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000456376	0	32	-2.0	-102.20	333.49	7.13	-95.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)=C1C	REAL300000456377	1	38	-2.0	-113.80	340.59	7.52	-106.28
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000456378	0	32	-2.0	-108.53	313.40	6.24	-102.29
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000456379	1	38	-2.0	-97.98	351.49	7.77	-90.21
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000456380	0	29	-2.0	-105.22	301.11	5.19	-100.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC#N)=C1	REAL300000456381	1	35	-2.0	-111.73	323.38	6.96	-104.77
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=C1	REAL300000456383	1	43	-2.0	-93.93	384.76	7.24	-86.69
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)C=C1C(=O)[O-]	REAL300000456384	1	33	-2.0	-109.29	314.58	5.52	-103.77
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)=C1	REAL300000456386	0	32	-2.0	-102.66	317.05	5.85	-96.81
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000456388	0	29	-2.0	-106.52	299.57	5.21	-101.31
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)=CC(C(=O)[O-])=C1OC	REAL300000456389	1	40	-2.0	-113.23	366.26	5.99	-107.24
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000456391	1	42	-2.0	-115.58	363.16	8.81	-106.77
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC#N)=C1	REAL300000456392	1	41	-2.0	-113.77	361.83	8.18	-105.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC#N)=C1	REAL300000456393	1	38	-2.0	-109.92	338.07	7.90	-102.02
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC#N)=C1	REAL300000456394	0	39	-2.0	-116.66	358.38	6.73	-109.93
N#CCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000456395	0	35	-2.0	-108.09	343.05	6.60	-101.49
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000456395	1	34	-3.0	-187.19	336.32	6.74	-180.45
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000456396	1	39	-2.0	-115.93	352.16	8.08	-107.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)C=C(C(=O)[O-])O1	REAL300000456397	0	32	-2.0	-105.04	310.91	5.32	-99.72
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000456398	1	38	-2.0	-115.54	350.10	5.95	-109.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)=C1	REAL300000456399	0	36	-2.0	-113.67	336.89	5.27	-108.40
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000456401	1	32	-2.0	-102.15	335.60	7.03	-95.12
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000456402	0	32	-2.0	-103.29	325.52	6.77	-96.52
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000456403	1	36	-2.0	-96.01	355.03	6.99	-89.02
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000456405	1	42	-2.0	-96.30	387.66	7.43	-88.87
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC#N)=C1	REAL300000456406	1	35	-2.0	-102.44	328.62	7.00	-95.44
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000456408	1	36	-2.0	-97.10	345.23	6.52	-90.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)C=C(C(=O)[O-])S1	REAL300000456410	1	32	-2.0	-108.28	316.52	6.07	-102.21
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000456411	0	32	-2.0	-100.47	336.14	7.20	-93.27
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000456412	0	32	-2.0	-96.70	320.97	6.74	-89.96
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=C1	REAL300000456413	1	32	-2.0	-96.06	324.32	6.87	-89.19
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000456414	1	32	-2.0	-98.44	312.45	6.22	-92.22
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000456415	0	29	-2.0	-101.22	300.19	5.31	-95.91
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000456416	1	32	-2.0	-101.70	314.33	6.24	-95.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)=C1F	REAL300000456417	0	35	-2.0	-109.98	333.66	6.88	-103.10
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000456418	0	36	-2.0	-101.36	348.19	6.80	-94.56
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000456419	0	32	-2.0	-98.89	313.38	6.25	-92.64
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000456420	1	32	-2.0	-96.63	320.42	6.58	-90.05
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC#N)=C1	REAL300000456421	1	35	-2.0	-104.12	337.37	7.37	-96.75
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000456422	1	40	-2.0	-95.57	371.67	7.59	-87.98
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000456423	1	32	-2.0	-96.24	324.16	6.68	-89.56
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000456424	1	32	-2.0	-101.44	318.74	6.27	-95.17
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000456425	0	34	-2.0	-95.99	336.12	6.84	-89.15
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000456426	0	33	-2.0	-110.96	317.63	3.89	-107.07
N#CCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000456426	1	33	-2.0	-106.73	316.82	4.69	-102.04
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000456427	1	35	-2.0	-102.91	330.09	6.96	-95.95
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000456428	1	32	-2.0	-103.00	328.63	6.71	-96.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC#N)=C1	REAL300000456429	1	35	-2.0	-108.53	317.97	6.82	-101.71
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)=CC(C(=O)[O-])=C1F	REAL300000456430	1	35	-2.0	-109.42	332.74	6.83	-102.59
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000456433	0	34	-2.0	-108.69	334.47	7.28	-101.41
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000456434	0	32	-2.0	-100.35	319.68	6.31	-94.04
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)C=C1C(=O)[O-]	REAL300000456436	0	35	-2.0	-110.83	333.24	6.87	-103.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)=C1Cl	REAL300000456437	0	35	-2.0	-108.39	339.70	7.31	-101.08
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)=C1	REAL300000456438	0	35	-2.0	-117.56	332.93	6.88	-110.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)C=C1C(=O)[O-]	REAL300000456439	1	38	-2.0	-112.49	341.85	7.37	-105.12
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(CC#N)=C1	REAL300000456441	1	35	-2.0	-101.73	334.19	7.35	-94.38
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000456442	1	35	-2.0	-95.57	338.03	6.99	-88.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000456443	1	35	-2.0	-108.24	339.13	7.14	-101.10
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000456444	1	32	-2.0	-103.52	329.22	6.78	-96.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)C=C1C(=O)[O-]	REAL300000456445	1	36	-2.0	-110.54	335.93	6.40	-104.14
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000456447	0	32	-2.0	-98.91	333.53	6.74	-92.17
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)C=C1C(=O)[O-]	REAL300000456448	1	35	-2.0	-107.09	341.62	7.26	-99.83
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)C=C(C(=O)[O-])S1	REAL300000456449	0	41	-2.0	-107.34	357.41	8.31	-99.03
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)C=C1C(=O)[O-]	REAL300000456450	0	36	-2.0	-112.03	348.23	6.81	-105.22
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000456452	0	37	-2.0	-104.30	351.18	8.37	-95.93
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000456454	0	34	-2.0	-120.17	331.65	8.04	-112.13
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000456455	0	32	-2.0	-116.82	311.58	6.22	-110.60
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)C=C1C(=O)[O-]	REAL300000456456	1	35	-2.0	-105.21	332.84	6.86	-98.35
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000456457	1	38	-2.0	-121.33	348.97	8.30	-113.03
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000456458	0	31	-2.0	-108.80	304.14	4.31	-104.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CC#N)=C1	REAL300000456459	0	36	-2.0	-103.22	336.09	5.99	-97.23
N#CCC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000456460	0	29	-2.0	-99.10	308.07	5.16	-93.94
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000456461	1	39	-2.0	-105.25	354.05	8.07	-97.18
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000456462	1	39	-2.0	-108.59	353.36	8.07	-100.52
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CC#N)=C2)C=C(C(=O)[O-])O1	REAL300000456463	0	35	-2.0	-104.79	330.03	6.17	-98.62
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000456464	1	38	-2.0	-105.76	357.79	7.80	-97.96
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000456466	1	38	-2.0	-108.39	353.28	7.77	-100.62
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000456467	0	42	-2.0	-114.10	381.40	7.58	-106.52
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000456468	1	42	-2.0	-95.75	384.71	9.07	-86.68
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000456470	0	38	-2.0	-104.07	366.33	8.35	-95.72
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000456471	1	38	-2.0	-104.17	365.77	8.16	-96.01
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000456472	1	44	-2.0	-111.26	385.66	9.09	-102.17
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000456473	0	38	-2.0	-105.90	358.74	7.84	-98.06
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000456474	1	44	-2.0	-95.07	396.83	9.36	-85.71
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000456475	0	35	-2.0	-102.65	346.44	6.79	-95.86
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000456476	1	41	-2.0	-109.35	368.69	8.56	-100.79
CCSCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000456478	1	39	-2.0	-106.85	359.91	7.13	-99.72
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000456480	0	38	-2.0	-99.27	362.37	7.45	-91.82
CCSCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000456482	0	35	-2.0	-104.09	344.92	6.81	-97.28
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000456484	1	47	-2.0	-111.61	407.16	9.78	-101.83
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1	REAL300000456485	1	44	-2.0	-107.69	383.41	9.49	-98.20
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000456486	0	45	-2.0	-114.48	403.69	8.34	-106.14
CCSCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000456487	0	41	-2.0	-113.56	384.36	8.29	-105.27
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000456487	1	40	-3.0	-184.55	381.67	8.34	-176.21
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000456488	1	45	-2.0	-114.53	397.51	9.67	-104.86
CCSCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000456489	0	38	-2.0	-102.29	356.30	6.92	-95.37
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000456490	0	42	-2.0	-110.31	382.23	6.87	-103.44
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000456492	1	41	-2.0	-99.91	373.97	8.60	-91.31
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000456493	1	42	-2.0	-93.67	390.56	8.12	-85.55
CCSCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000456495	1	38	-2.0	-105.83	361.86	7.67	-98.16
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000456496	0	38	-2.0	-93.68	366.31	8.34	-85.34
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000456497	1	38	-2.0	-95.62	357.80	7.82	-87.80
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000456498	0	35	-2.0	-98.03	345.52	6.90	-91.13
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000456499	1	38	-2.0	-99.24	359.67	7.85	-91.39
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000456500	0	41	-2.0	-107.34	379.02	8.48	-98.86
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000456501	0	38	-2.0	-95.65	358.72	7.85	-87.80
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000456502	1	38	-2.0	-93.70	365.76	8.18	-85.52
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000456503	1	41	-2.0	-101.55	382.71	8.98	-92.57
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000456504	1	38	-2.0	-98.01	364.09	7.87	-90.14
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000456505	1	40	-2.0	-93.84	381.46	8.45	-85.39
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000456506	0	39	-2.0	-108.37	362.98	5.49	-102.88
CCSCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000456506	1	39	-2.0	-104.92	362.16	6.28	-98.64
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000456507	1	41	-2.0	-99.78	375.43	8.55	-91.23
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000456508	1	41	-2.0	-106.23	367.08	8.52	-97.71
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000456509	1	41	-2.0	-108.05	378.10	8.43	-99.62
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000456512	0	40	-2.0	-107.28	379.84	8.87	-98.41
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000456513	0	38	-2.0	-97.46	365.02	7.90	-89.56
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000456515	0	41	-2.0	-107.00	374.74	8.38	-98.62
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000456516	0	41	-2.0	-105.91	385.02	8.92	-96.99
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000456517	0	41	-2.0	-114.20	378.28	8.47	-105.73
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000456520	1	41	-2.0	-98.25	380.05	8.93	-89.32
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000456521	1	41	-2.0	-106.86	384.48	8.74	-98.12
CCSCC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000456522	1	42	-2.0	-108.15	381.29	8.00	-100.15
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000456523	1	41	-2.0	-103.61	387.05	8.84	-94.77
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000456526	0	40	-2.0	-116.67	377.02	9.64	-107.03
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000456527	0	38	-2.0	-113.47	356.92	7.80	-105.67
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000456528	1	41	-2.0	-101.77	378.22	8.45	-93.32
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000456529	0	37	-2.0	-106.19	349.48	5.89	-100.30
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000456530	0	42	-2.0	-100.39	381.47	7.57	-92.82
CCSCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000456531	0	35	-2.0	-96.21	353.41	6.75	-89.46
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000456532	1	45	-2.0	-101.72	397.24	9.60	-92.12
CCSCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000456533	1	45	-2.0	-105.59	398.71	9.67	-95.92
CCSCC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000456534	0	41	-2.0	-102.18	375.39	7.76	-94.42
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000456535	1	40	-2.0	-118.17	358.01	4.81	-113.36
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000456536	1	40	-2.0	-108.89	353.46	4.78	-104.11
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000456537	1	40	-2.0	-122.98	353.47	4.76	-118.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)N(C)C)=C1	REAL300000456538	0	44	-2.0	-127.72	382.02	4.57	-123.15
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000456539	1	44	-2.0	-108.07	385.35	6.06	-102.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000456540	1	43	-2.0	-122.40	370.28	5.29	-117.11
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000456541	0	40	-2.0	-117.77	367.36	5.32	-112.45
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000456542	1	40	-2.0	-117.07	366.39	5.16	-111.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)=C1C	REAL300000456543	1	46	-2.0	-125.14	387.50	6.06	-119.08
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000456544	0	40	-2.0	-119.52	360.30	4.77	-114.75
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000456545	1	46	-2.0	-107.43	397.46	6.35	-101.08
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000456546	0	37	-2.0	-117.39	347.47	3.77	-113.62
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)N(C)C)=C1	REAL300000456547	1	43	-2.0	-122.74	369.31	5.55	-117.19
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000456549	0	41	-2.0	-121.74	360.93	4.11	-117.63
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)=C1	REAL300000456551	0	40	-2.0	-111.67	362.57	4.46	-107.21
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000456553	0	37	-2.0	-106.68	345.53	3.80	-102.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)N(C)C)=C1	REAL300000456555	1	46	-2.0	-120.48	383.45	6.50	-113.98
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000456556	0	40	-2.0	-115.56	356.91	3.90	-111.66
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)=C1	REAL300000456557	0	44	-2.0	-124.44	383.75	3.79	-120.65
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)N(C)C)=C1	REAL300000456558	1	43	-2.0	-113.39	374.99	5.57	-107.82
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000456559	0	40	-2.0	-118.86	363.57	4.65	-114.21
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000456560	0	40	-2.0	-106.55	366.93	5.33	-101.22
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000456561	1	40	-2.0	-108.35	357.99	4.81	-103.54
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000456562	0	37	-2.0	-110.39	345.74	3.89	-106.50
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000456563	1	40	-2.0	-113.32	359.87	4.84	-108.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)=C1F	REAL300000456564	0	43	-2.0	-120.96	379.64	5.47	-115.49
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000456565	0	40	-2.0	-109.16	359.75	4.82	-104.34
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000456566	1	40	-2.0	-106.80	366.37	5.17	-101.63
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000456567	1	40	-2.0	-111.52	364.70	4.86	-106.66
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000456568	0	41	-2.0	-120.85	363.58	2.50	-118.35
CN(C)C(=O)NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000456568	1	41	-2.0	-112.87	353.03	3.35	-109.52
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000456569	1	43	-2.0	-112.17	375.46	5.55	-106.62
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)N(C)C)=C1	REAL300000456570	1	43	-2.0	-117.87	363.99	5.40	-112.47
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000456571	1	43	-2.0	-119.59	378.30	5.43	-114.16
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)=CC(C(=O)[O-])=C1C	REAL300000456573	1	46	-2.0	-124.43	387.26	5.83	-118.60
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000456574	0	40	-2.0	-110.95	366.58	4.83	-106.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000456576	0	43	-2.0	-121.70	379.63	5.46	-116.24
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)=C1	REAL300000456577	0	43	-2.0	-127.69	378.92	5.46	-122.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000456578	1	46	-2.0	-123.13	387.70	5.94	-117.19
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000456579	0	44	-2.0	-121.54	382.42	4.96	-116.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000456580	1	43	-2.0	-109.43	370.27	5.30	-104.13
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)N(C)C)=C1	REAL300000456581	1	43	-2.0	-120.23	374.36	5.53	-114.70
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000456582	0	40	-2.0	-127.17	357.95	4.79	-122.38
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000456583	1	43	-2.0	-112.89	374.29	5.34	-107.55
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000456584	0	39	-2.0	-118.68	351.27	2.80	-115.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(NC(=O)N(C)C)=C1	REAL300000456585	0	44	-2.0	-113.73	382.07	4.58	-109.15
CN(C)C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000456586	0	37	-2.0	-109.70	354.44	3.72	-105.98
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000456587	0	43	-2.0	-115.49	376.42	4.74	-110.75
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000456588	0	32	-2.0	-107.64	314.92	2.22	-105.42
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000456589	0	32	-2.0	-98.00	310.37	2.20	-95.80
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000456590	0	32	-2.0	-110.13	310.38	2.19	-107.94
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(N)=O	REAL300000456591	0	36	-2.0	-114.67	338.52	2.00	-112.67
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000456592	0	36	-2.0	-96.99	341.85	3.50	-93.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000456593	0	35	-2.0	-111.28	326.40	2.72	-108.56
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000456594	0	32	-2.0	-104.98	323.45	2.77	-102.21
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000456595	0	32	-2.0	-106.01	322.90	2.59	-103.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)=C1C	REAL300000456596	0	38	-2.0	-112.34	343.05	3.54	-108.80
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000456597	0	32	-2.0	-106.90	315.86	2.26	-104.64
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000456598	0	38	-2.0	-96.20	353.95	3.78	-92.42
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000456599	0	29	-2.0	-104.82	303.57	1.22	-103.60
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(N)=O	REAL300000456600	0	35	-2.0	-110.17	325.81	2.98	-107.19
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000456601	0	36	-2.0	-95.72	341.45	2.48	-93.24
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000456602	0	33	-2.0	-108.58	317.02	1.55	-107.03
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(N)=O	REAL300000456603	0	36	-2.0	-110.74	334.16	1.03	-109.71
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)=C1	REAL300000456604	0	32	-2.0	-100.97	319.49	1.88	-99.09
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000456605	0	38	-2.0	-111.37	341.84	3.52	-107.85
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000456606	0	29	-2.0	-106.13	302.03	1.23	-104.90
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000456607	0	36	-2.0	-116.05	337.68	2.27	-113.78
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(N)=O	REAL300000456608	0	41	-2.0	-111.87	363.64	4.20	-107.67
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(N)=O	REAL300000456609	0	38	-2.0	-107.32	336.03	3.84	-103.48
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000456610	0	39	-2.0	-114.54	354.63	4.10	-110.44
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000456611	0	32	-2.0	-103.80	313.39	1.35	-102.45
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)=C1	REAL300000456612	0	36	-2.0	-111.03	339.37	1.29	-109.74
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(N)=O	REAL300000456613	0	35	-2.0	-101.17	331.09	3.01	-98.16
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)C=C(C(=O)[O-])S1	REAL300000456614	0	32	-2.0	-106.68	320.07	2.08	-104.60
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000456615	0	32	-2.0	-95.30	323.43	2.76	-92.54
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000456616	0	32	-2.0	-97.56	314.91	2.23	-95.33
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000456617	0	29	-2.0	-99.86	302.64	1.33	-98.53
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000456618	0	32	-2.0	-101.16	316.80	2.27	-98.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)=C1F	REAL300000456619	0	35	-2.0	-108.45	336.13	2.89	-105.56
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000456620	0	32	-2.0	-97.47	315.85	2.27	-95.20
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000456621	0	32	-2.0	-95.55	322.88	2.59	-92.96
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000456622	0	32	-2.0	-99.41	321.20	2.29	-97.12
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000456623	0	33	-2.0	-108.53	320.10	-0.10	-108.63
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000456624	0	35	-2.0	-101.07	332.57	2.99	-98.08
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(N)=O	REAL300000456625	0	35	-2.0	-106.81	320.42	2.84	-103.97
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)=CC(C(=O)[O-])=C1F	REAL300000456626	0	35	-2.0	-109.08	335.21	2.85	-106.23
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(N)=O	REAL300000456627	0	35	-2.0	-97.90	325.80	2.97	-94.93
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)=CC(C(=O)[O-])=C1C	REAL300000456628	0	38	-2.0	-113.27	343.85	3.28	-109.99
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000456629	0	32	-2.0	-98.93	322.12	2.33	-96.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)C(C)=C1C(=O)[O-]	REAL300000456630	0	38	-2.0	-111.46	343.91	3.60	-107.86
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000456631	0	35	-2.0	-109.26	335.70	2.90	-106.36
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)=C1	REAL300000456632	0	35	-2.0	-115.59	335.43	2.88	-112.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000456633	0	38	-2.0	-112.02	344.70	3.38	-108.64
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000456634	0	36	-2.0	-109.84	338.33	2.40	-107.44
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)=CC=C1C(=O)[O-]	REAL300000456635	0	35	-2.0	-98.13	326.39	2.73	-95.40
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(N)=O	REAL300000456636	0	35	-2.0	-107.88	329.92	3.04	-104.84
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000456637	0	32	-2.0	-114.76	314.01	2.23	-112.53
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000456638	0	35	-2.0	-102.01	331.54	2.77	-99.24
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000456639	0	31	-2.0	-106.38	307.35	0.25	-106.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1C(N)=O	REAL300000456640	0	36	-2.0	-101.89	338.58	1.99	-99.90
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000456641	0	29	-2.0	-98.20	310.48	1.17	-97.03
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000456642	0	39	-2.0	-104.00	356.51	4.08	-99.92
NC(=O)C1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000456643	0	39	-2.0	-107.71	354.47	4.07	-103.64
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000456644	0	35	-2.0	-102.81	328.72	2.16	-100.65
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000456645	0	41	-2.0	-94.84	371.30	5.17	-89.67
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000456646	1	34	-2.0	-112.33	319.38	6.61	-105.72
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(C)(F)F	REAL300000456647	0	42	-2.0	-112.07	374.46	7.66	-104.41
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000456648	1	34	-2.0	-102.12	314.83	6.59	-95.53
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000456649	1	34	-2.0	-115.30	314.84	6.58	-108.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(C)(F)F	REAL300000456650	0	38	-2.0	-120.01	342.98	6.38	-113.63
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000456651	1	38	-2.0	-100.93	346.29	7.87	-93.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000456652	1	37	-2.0	-116.66	330.87	7.11	-109.55
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000456653	0	34	-2.0	-109.81	327.91	7.15	-102.66
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000456654	1	34	-2.0	-110.86	327.35	6.97	-103.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)=C1C	REAL300000456655	1	40	-2.0	-116.98	347.95	7.91	-109.07
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000456656	0	34	-2.0	-112.19	320.32	6.64	-105.55
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000456657	1	40	-2.0	-100.28	358.42	8.16	-92.12
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000456658	0	31	-2.0	-109.40	308.03	5.59	-103.81
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(C)(F)F	REAL300000456659	1	37	-2.0	-114.97	330.28	7.36	-107.61
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000456660	1	38	-2.0	-99.69	345.91	6.86	-92.83
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000456661	0	35	-2.0	-113.52	321.49	5.92	-107.60
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(C)(F)F	REAL300000456662	1	38	-2.0	-115.06	339.04	5.39	-109.67
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)=C1	REAL300000456663	0	34	-2.0	-105.47	323.97	6.26	-99.21
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000456664	1	40	-2.0	-116.32	346.29	7.90	-108.42
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000456665	0	31	-2.0	-110.73	306.49	5.61	-105.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000456666	1	38	-2.0	-121.13	342.12	6.65	-114.48
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000456667	1	44	-2.0	-119.37	370.07	9.21	-110.16
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(C)(F)F	REAL300000456668	1	43	-2.0	-116.93	367.73	8.56	-108.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(C)(F)F	REAL300000456669	1	40	-2.0	-112.41	337.85	8.07	-104.34
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(C)(F)F	REAL300000456670	0	41	-2.0	-121.11	365.27	7.14	-113.97
CC(F)(F)C1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000456671	0	37	-2.0	-110.67	341.29	7.09	-103.58
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000456671	1	36	-3.0	-193.40	343.24	7.14	-186.26
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000456672	1	41	-2.0	-119.64	359.09	8.47	-111.17
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C=C(C(=O)[O-])O1	REAL300000456673	0	34	-2.0	-108.12	317.85	5.71	-102.41
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000456674	1	40	-2.0	-120.41	357.00	6.35	-114.06
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)=C1	REAL300000456675	0	38	-2.0	-116.09	343.81	5.67	-110.42
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000456676	1	42	-2.0	-100.59	367.76	7.17	-93.42
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000456677	0	34	-2.0	-106.21	332.44	7.17	-99.04
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)=CC=C1OCC(=O)[O-]	REAL300000456678	1	41	-2.0	-100.24	366.00	7.57	-92.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(C)(F)F	REAL300000456679	0	37	-2.0	-105.51	335.56	7.40	-98.11
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000456680	1	38	-2.0	-98.96	352.14	6.93	-92.03
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000456681	1	41	-2.0	-121.89	363.98	7.55	-114.34
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C=C(C(=O)[O-])S1	REAL300000456682	0	34	-2.0	-111.36	323.47	6.47	-104.89
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000456683	0	34	-2.0	-99.22	327.89	7.14	-92.08
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000456684	0	34	-2.0	-101.47	319.36	6.62	-94.85
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000456685	0	31	-2.0	-104.10	307.10	5.71	-98.39
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000456686	0	34	-2.0	-105.95	321.24	6.64	-99.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)=C1F	REAL300000456687	0	37	-2.0	-113.79	340.59	7.27	-106.52
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000456688	0	34	-2.0	-101.86	320.31	6.65	-95.21
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000456689	1	34	-2.0	-99.62	327.33	6.98	-92.64
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(C)(F)F	REAL300000456690	0	37	-2.0	-107.23	344.30	7.78	-99.45
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000456691	0	42	-2.0	-97.55	378.59	7.99	-89.56
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000456692	0	34	-2.0	-103.83	325.65	6.67	-97.16
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000456693	0	36	-2.0	-99.95	343.03	7.25	-92.70
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000456694	0	35	-2.0	-113.35	324.56	4.28	-109.07
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000456695	1	37	-2.0	-105.54	337.02	7.35	-98.19
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000456696	1	34	-2.0	-105.28	335.54	7.11	-98.17
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(C)(F)F	REAL300000456697	1	37	-2.0	-111.63	324.88	7.23	-104.40
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)=CC(C(=O)[O-])=C1F	REAL300000456698	1	37	-2.0	-113.92	339.67	7.23	-106.69
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(C)(F)F	REAL300000456699	1	37	-2.0	-101.79	330.26	7.36	-94.43
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)=CC(C(=O)[O-])=C1C	REAL300000456700	1	40	-2.0	-118.81	347.72	7.65	-111.16
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000456701	0	36	-2.0	-112.71	341.40	7.68	-105.03
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000456702	0	34	-2.0	-103.84	326.58	6.70	-97.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C(C)=C1C(=O)[O-]	REAL300000456703	1	40	-2.0	-115.97	349.32	7.97	-108.00
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000456704	0	37	-2.0	-113.47	336.32	7.18	-106.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)=C1Cl	REAL300000456705	0	37	-2.0	-111.77	346.62	7.72	-104.05
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)=C1	REAL300000456706	0	37	-2.0	-121.08	339.85	7.27	-113.81
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000456707	1	40	-2.0	-117.46	348.78	7.76	-109.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C=C1CC(=O)[O-]	REAL300000456708	1	41	-2.0	-118.32	365.30	6.71	-111.61
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(C)(F)F	REAL300000456709	0	37	-2.0	-104.66	341.63	7.73	-96.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)=CC(C(=O)[O-])=C1Cl	REAL300000456710	1	37	-2.0	-112.87	346.06	7.54	-105.33
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000456711	0	38	-2.0	-114.87	342.86	6.79	-108.08
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C(C)=C1CC(=O)[O-]	REAL300000456712	1	46	-2.0	-113.52	379.75	9.43	-104.09
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000456713	1	37	-2.0	-108.73	344.70	7.54	-101.19
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)=CC=C1C(=O)[O-]	REAL300000456714	1	37	-2.0	-102.38	330.85	7.12	-95.26
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(C)(F)F	REAL300000456715	1	37	-2.0	-111.94	334.79	7.39	-104.55
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000456716	0	36	-2.0	-122.27	338.14	8.42	-113.85
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000456717	0	34	-2.0	-120.10	318.48	6.60	-113.50
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000456718	0	37	-2.0	-106.96	336.00	7.15	-99.81
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000456719	0	40	-2.0	-124.07	355.88	8.70	-115.37
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000456720	0	33	-2.0	-113.36	311.06	4.69	-108.67
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(C)(F)F	REAL300000456721	0	38	-2.0	-106.23	343.04	6.37	-99.86
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000456722	0	31	-2.0	-102.29	314.95	5.55	-96.74
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000456723	1	41	-2.0	-108.36	360.97	8.47	-99.89
CC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000456724	0	41	-2.0	-112.64	358.93	8.45	-104.19
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(C)(F)F)C=C(C(=O)[O-])O1	REAL300000456725	0	37	-2.0	-107.30	333.11	6.44	-100.86
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300000456753	0	39	-2.0	-110.07	343.67	6.90	-103.17
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C2O1	REAL300000456778	0	37	-2.0	-108.16	325.30	5.12	-103.04
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)C=C1	REAL300000456813	0	37	-2.0	-88.51	341.96	0.80	-87.71
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)C=C1	REAL300000456813	1	37	-2.0	-90.63	343.20	0.78	-89.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=CC=C1F	REAL300000456814	0	30	-2.0	-104.51	290.02	2.25	-102.26
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NNN=C21	REAL300000456815	0	38	-2.0	-105.06	345.11	3.31	-101.75
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2N=NNC2=CC=C1	REAL300000456815	1	38	-2.0	-106.59	346.36	3.29	-103.30
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=C1	REAL300000456816	0	30	-2.0	-101.33	301.91	2.92	-98.41
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=C1	REAL300000456816	1	30	-2.0	-103.16	303.16	2.92	-100.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)C=C1	REAL300000456817	0	30	-2.0	-94.82	285.48	2.22	-92.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=C1	REAL300000456818	0	30	-2.0	-106.92	285.49	2.22	-104.70
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=C1	REAL300000456818	1	30	-2.0	-109.49	286.74	2.20	-107.29
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NNN=C21	REAL300000456819	0	34	-2.0	-111.52	313.63	2.01	-109.51
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2N=NNC2=CC=C1	REAL300000456819	1	34	-2.0	-113.33	314.89	2.00	-111.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=CC=C1Br	REAL300000456820	0	30	-2.0	-102.47	301.73	2.70	-99.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=CC=C1Br	REAL300000456820	1	30	-2.0	-105.08	302.99	2.69	-102.39
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)C=C1	REAL300000456821	0	34	-2.0	-94.37	316.95	3.51	-90.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)C=C1C(=O)[O-]	REAL300000456822	0	33	-2.0	-108.02	301.51	2.75	-105.27
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=C1	REAL300000456823	0	30	-2.0	-101.92	298.56	2.79	-99.13
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=C1	REAL300000456823	1	30	-2.0	-103.87	299.81	2.78	-101.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=CC=C1Cl	REAL300000456824	0	30	-2.0	-102.81	297.99	2.61	-100.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=CC=C1Cl	REAL300000456824	1	30	-2.0	-105.44	299.25	2.59	-102.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=C(Cl)C=C1Cl	REAL300000456825	0	30	-2.0	-97.72	311.05	3.16	-94.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=C(Cl)C=C1Cl	REAL300000456825	1	30	-2.0	-99.59	312.31	3.16	-96.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=C1C	REAL300000456826	0	36	-2.0	-108.77	318.59	3.55	-105.22
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=C1	REAL300000456827	0	30	-2.0	-103.65	290.96	2.28	-101.37
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=C1	REAL300000456827	1	30	-2.0	-105.76	292.22	2.26	-103.50
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)C=C1	REAL300000456828	0	36	-2.0	-93.53	329.06	3.81	-89.72
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)C=C1	REAL300000456828	1	36	-2.0	-95.54	330.32	3.78	-91.76
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CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=NNN=C21	REAL300000456889	0	33	-2.0	-96.88	311.75	3.39	-93.49
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C2N=NNC2=CC=C1	REAL300000456889	1	33	-2.0	-99.97	313.00	3.39	-96.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)C=C1C(F)(F)F	REAL300000456890	0	33	-2.0	-91.46	315.60	3.02	-88.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=CC(C(=O)[O-])=C1Cl	REAL300000456891	0	33	-2.0	-104.59	316.71	3.17	-101.42
CC1=CC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=CC(C(=O)[O-])=C1Cl	REAL300000456891	1	33	-2.0	-107.20	317.98	3.16	-104.04
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=C1	REAL300000456892	0	30	-2.0	-99.72	306.79	2.83	-96.89
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=C1	REAL300000456892	1	30	-2.0	-102.36	308.04	2.81	-99.55
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)C=C1C(=O)[O-]	REAL300000456893	0	34	-2.0	-106.59	313.51	2.44	-104.15
CCN1C=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)C=C1C(=O)[O-]	REAL300000456893	1	34	-2.0	-109.21	314.77	2.43	-106.78
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)C(C)=C1CC(=O)[O-]	REAL300000456894	0	42	-2.0	-107.76	350.64	5.09	-102.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=C(F)C(Cl)=C1F	REAL300000456895	0	30	-2.0	-94.41	311.10	2.77	-91.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=C(F)C(Cl)=C1F	REAL300000456895	1	30	-2.0	-96.73	312.36	2.76	-93.97
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)C=C1C(=O)[O-]	REAL300000456896	0	33	-2.0	-100.29	315.35	3.18	-97.11
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)C=C(C(=O)[O-])S1	REAL300000456897	0	39	-2.0	-103.15	334.91	4.34	-98.81
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)C=C(C(=O)[O-])S1	REAL300000456897	1	39	-2.0	-104.74	336.48	4.31	-100.43
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)C=C1C(=O)[O-]	REAL300000456898	0	34	-2.0	-107.49	325.81	2.85	-104.64
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)C=C1C(=O)[O-]	REAL300000456898	1	34	-2.0	-109.41	327.07	2.84	-106.57
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=CC=C1C(=O)[O-]	REAL300000456899	0	33	-2.0	-96.49	305.54	2.86	-93.63
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)C([N+](=O)[O-])=C1	REAL300000456900	0	35	-2.0	-98.87	328.74	4.42	-94.45
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)C([N+](=O)[O-])=C1	REAL300000456900	1	35	-2.0	-100.93	330.00	4.39	-96.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NNN=C21	REAL300000456901	0	33	-2.0	-104.51	305.44	3.03	-101.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=C1[N+](=O)[O-]	REAL300000456902	0	32	-2.0	-114.67	309.23	4.08	-110.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=C1[N+](=O)[O-]	REAL300000456902	1	32	-2.0	-118.24	310.48	4.05	-114.19
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=C1F	REAL300000456903	0	30	-2.0	-111.53	289.12	2.24	-109.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=C1F	REAL300000456903	1	30	-2.0	-114.99	290.38	2.23	-112.76
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)C=C1C(=O)[O-]	REAL300000456904	0	33	-2.0	-98.71	306.65	2.79	-95.92
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)C=C1C(=O)[O-]	REAL300000456904	1	33	-2.0	-101.40	307.91	2.77	-98.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=CC2=CC=CC=C21	REAL300000456905	0	36	-2.0	-115.08	326.53	4.34	-110.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=CC2=CC=CC=C21	REAL300000456905	1	36	-2.0	-117.82	327.78	4.32	-113.50
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=C1	REAL300000456906	0	29	-2.0	-104.81	281.70	0.34	-104.47
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=C1	REAL300000456906	1	29	-2.0	-107.51	282.95	0.32	-107.19
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=NNN=C21	REAL300000456907	0	34	-2.0	-98.75	313.68	2.01	-96.74
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2N=NNC2=CC=C1	REAL300000456907	1	34	-2.0	-101.16	314.94	2.00	-99.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)=C(Cl)O1	REAL300000456908	0	27	-2.0	-94.89	285.59	1.20	-93.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)=C(Cl)O1	REAL300000456908	1	27	-2.0	-97.35	286.85	1.18	-96.17
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=NNN=C43)C=C2)CC1	REAL300000456909	0	37	-2.0	-100.92	331.61	4.10	-96.82
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C4N=NNC4=CC=C3)C=C2)CC1	REAL300000456909	1	37	-2.0	-103.11	332.87	4.08	-99.03
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=NNN=C43)C=C2C1	REAL300000456910	0	37	-2.0	-104.31	329.58	4.09	-100.22
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C4N=NNC4=CC=C3)C=C2C1	REAL300000456910	1	37	-2.0	-107.89	330.83	4.06	-103.83
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=NNN=C32)C=C(C(=O)[O-])O1	REAL300000456911	0	33	-2.0	-100.24	307.62	2.21	-98.03
CCC1=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2)C=C(C(=O)[O-])O1	REAL300000456911	1	33	-2.0	-102.26	308.88	2.19	-100.07
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(O)=C2Br)=C1	REAL300000456918	1	26	-2.0	-99.13	289.30	1.91	-97.22
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(O)=C2Br)=C1	REAL300000456921	1	29	-2.0	-95.80	305.22	2.58	-93.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(O)=C2Br)S1	REAL300000456926	1	26	-2.0	-94.64	288.37	2.03	-92.61
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(O)=C2Br)=C1	REAL300000456929	0	30	-2.0	-104.67	303.16	1.44	-103.23
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(O)=C2Br)=C1	REAL300000456936	0	28	-2.0	-101.51	293.09	0.95	-100.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(O)=C2Br)=C(Cl)O1	REAL300000456937	1	26	-2.0	-92.91	296.22	1.87	-91.04
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1Br	REAL300000456940	1	28	-2.0	-113.19	289.43	5.83	-107.36
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1Br	REAL300000456947	1	30	-2.0	-97.36	294.01	4.51	-92.85
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1Br	REAL300000456958	1	25	-2.0	-99.17	289.90	5.18	-93.99
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1Br	REAL300000456962	1	25	-2.0	-104.46	272.85	4.57	-99.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)S1	REAL300000456971	1	28	-2.0	-105.55	294.75	5.36	-100.19
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1Br	REAL300000456972	1	28	-2.0	-105.39	292.83	5.70	-99.69
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=C1Cl	REAL300000456980	0	28	-2.0	-112.73	298.39	5.13	-107.60
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)C=N1	REAL300000456981	1	28	-2.0	-103.54	285.47	3.28	-100.26
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2Br)=C1	REAL300000456986	1	32	-2.0	-102.65	309.48	4.75	-97.90
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2)=C1Br	REAL300000456987	1	25	-2.0	-100.93	262.50	1.96	-98.97
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1Br	REAL300000456988	1	31	-2.0	-125.46	309.12	4.76	-120.70
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=C1	REAL300000456990	0	28	-2.0	-113.67	284.94	4.65	-109.02
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1Br	REAL300000456992	1	28	-2.0	-108.95	292.69	5.69	-103.26
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=CN1C	REAL300000456993	0	31	-2.0	-115.05	304.45	4.46	-110.59
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)C=N1	REAL300000456994	1	31	-2.0	-103.69	307.00	4.13	-99.56
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1Br	REAL300000456996	1	28	-2.0	-101.66	281.31	2.61	-99.05
CN1C=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=N1	REAL300000457000	0	28	-2.0	-111.71	285.77	3.10	-108.61
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC=N2)=C1Br	REAL300000457009	0	25	-2.0	-111.77	262.23	2.96	-108.81
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)SC=C1	REAL300000457011	1	28	-2.0	-105.55	289.15	5.39	-100.16
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)C(F)=C1	REAL300000457017	1	29	-2.0	-102.18	307.22	6.02	-96.16
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)C=N1	REAL300000457018	1	34	-2.0	-103.80	325.68	4.65	-99.15
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=CN1	REAL300000457020	0	34	-2.0	-114.28	324.89	3.99	-110.29
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)S1	REAL300000457025	1	30	-2.0	-103.28	306.15	4.14	-99.14
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)SC=C1	REAL300000457031	0	29	-2.0	-113.13	303.09	3.84	-109.29
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1Br	REAL300000457032	0	31	-2.0	-108.47	310.68	5.96	-102.51
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)N=C1Cl	REAL300000457034	0	28	-2.0	-109.03	301.10	4.40	-104.63
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1Br	REAL300000457035	1	29	-2.0	-111.31	296.77	4.30	-107.01
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)S1	REAL300000457036	1	27	-2.0	-102.50	289.45	3.39	-99.11
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=C1	REAL300000457039	0	34	-2.0	-112.96	326.37	5.94	-107.02
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=C1	REAL300000457042	0	34	-2.0	-114.44	328.41	6.30	-108.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)O1	REAL300000457046	0	28	-2.0	-105.76	285.52	4.38	-101.38
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=C1	REAL300000457047	1	31	-2.0	-106.40	313.14	5.91	-100.49
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)N=C1C	REAL300000457049	0	34	-2.0	-115.14	326.53	5.36	-109.78
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)S1	REAL300000457050	0	30	-2.0	-102.14	310.94	4.15	-97.99
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CO2)=C1Br	REAL300000457056	0	25	-2.0	-104.54	263.60	3.56	-100.98
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1Br	REAL300000457057	1	27	-2.0	-94.18	274.34	2.03	-92.15
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)C(N)=NO1	REAL300000457067	0	29	-2.0	-97.20	288.46	2.93	-94.27
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)S1	REAL300000457069	1	26	-2.0	-97.36	293.44	5.12	-92.24
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)O1	REAL300000457075	0	26	-2.0	-98.40	284.85	4.10	-94.30
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1Br	REAL300000457080	0	25	-2.0	-104.12	288.90	5.01	-99.11
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=C1	REAL300000457081	1	28	-2.0	-104.64	294.49	5.23	-99.41
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1Br	REAL300000457082	1	25	-2.0	-102.31	279.21	2.37	-99.94
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1Br	REAL300000457083	1	27	-2.0	-101.50	287.84	3.68	-97.82
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=C1	REAL300000457084	0	27	-2.0	-99.22	289.42	3.86	-95.36
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1Br	REAL300000457088	0	25	-2.0	-106.06	279.20	4.60	-101.46
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=NC=C[N-]2)=C1Br	REAL300000457092	0	25	-2.0	-92.12	258.55	1.71	-90.41
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=NC=CN2)=C1Br	REAL300000457092	1	25	-2.0	-106.54	262.54	2.14	-104.40
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)S1	REAL300000457093	1	31	-2.0	-106.67	311.04	6.19	-100.48
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1Br	REAL300000457098	1	31	-2.0	-104.43	304.31	3.92	-100.51
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1Br	REAL300000457109	1	27	-2.0	-97.27	279.68	3.47	-93.80
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1Br	REAL300000457110	1	27	-2.0	-108.72	281.43	3.74	-104.98
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1Br	REAL300000457126	0	29	-2.0	-95.73	291.53	4.15	-91.58
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1Br	REAL300000457127	1	34	-2.0	-103.87	323.78	4.70	-99.17
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=C1	REAL300000457131	0	28	-2.0	-96.64	300.17	1.36	-95.28
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NS2)=C1Br	REAL300000457132	0	24	-2.0	-98.83	267.67	3.27	-95.56
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=C1F	REAL300000457135	1	29	-2.0	-109.02	306.74	5.98	-103.04
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)N=N1	REAL300000457136	0	27	-2.0	-111.17	279.87	1.89	-109.28
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1Br	REAL300000457139	1	30	-2.0	-94.70	296.15	2.90	-91.80
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1Br	REAL300000457142	1	31	-2.0	-108.23	310.70	5.84	-102.39
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1Br	REAL300000457144	0	28	-2.0	-103.59	298.21	1.43	-102.16
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)N=CN1	REAL300000457145	0	28	-2.0	-114.89	279.86	3.64	-111.25
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)C=CS1	REAL300000457157	1	29	-2.0	-109.08	303.18	4.01	-105.07
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)O1	REAL300000457159	0	31	-2.0	-105.64	307.01	5.16	-100.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)S1	REAL300000457160	1	29	-2.0	-102.86	304.72	4.01	-98.85
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1Br	REAL300000457161	1	31	-2.0	-101.44	313.60	4.27	-97.17
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=N1	REAL300000457164	0	30	-2.0	-104.44	301.78	2.41	-102.03
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1Br	REAL300000457165	0	25	-2.0	-99.99	280.67	4.18	-95.81
CC1=COC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=C1	REAL300000457166	0	28	-2.0	-104.98	285.51	4.23	-100.75
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)=C1Cl	REAL300000457167	1	28	-2.0	-100.99	300.77	3.61	-97.38
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)OC=C1	REAL300000457168	0	26	-2.0	-104.68	285.08	4.01	-100.67
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1Br	REAL300000457169	1	25	-2.0	-102.42	279.72	4.06	-98.36
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1Br	REAL300000457170	1	25	-2.0	-99.91	289.73	5.08	-94.83
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)C=CO1	REAL300000457173	1	26	-2.0	-106.26	283.90	3.97	-102.29
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2Br)SC=C1	REAL300000457174	0	26	-2.0	-107.88	290.41	4.94	-102.94
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSN=C2)=C1Br	REAL300000457179	1	24	-2.0	-97.07	266.57	3.15	-93.92
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CS2)=C1Br	REAL300000457180	0	24	-2.0	-101.18	267.51	2.68	-98.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)=CC=C1F	REAL300000457182	1	36	-2.0	-106.13	346.02	5.08	-101.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)C=C1	REAL300000457183	1	36	-2.0	-96.19	341.47	5.06	-91.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)=C1	REAL300000457184	1	36	-2.0	-108.68	341.48	5.05	-103.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000457185	1	39	-2.0	-109.88	357.50	5.59	-104.29
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)=C1	REAL300000457186	0	36	-2.0	-105.89	346.95	5.11	-100.78
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)=C1	REAL300000457187	0	33	-2.0	-102.99	334.66	4.07	-98.92
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(NCC(F)(F)F)=C1	REAL300000457188	1	39	-2.0	-109.42	356.91	5.83	-103.59
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000457189	0	37	-2.0	-107.05	348.13	4.41	-102.64
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)=C1	REAL300000457190	0	36	-2.0	-99.12	350.59	4.74	-94.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)=CS1	REAL300000457191	0	33	-2.0	-104.33	333.13	4.08	-100.25
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000457192	0	36	-2.0	-102.47	344.49	4.20	-98.27
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000457193	1	36	-2.0	-105.88	350.08	4.94	-100.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)C=C1F	REAL300000457194	1	36	-2.0	-95.66	346.00	5.09	-90.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)S1	REAL300000457195	0	33	-2.0	-97.90	333.75	4.18	-93.72
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)=C1	REAL300000457196	1	36	-2.0	-99.46	347.89	5.12	-94.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)C(F)=C1	REAL300000457197	0	36	-2.0	-95.59	346.94	5.12	-90.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)=C1	REAL300000457198	0	37	-2.0	-108.22	351.19	2.76	-105.46
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(NCC(F)(F)F)=C2)=C1	REAL300000457198	1	37	-2.0	-104.20	340.22	3.64	-100.56
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)C=C1	REAL300000457199	1	39	-2.0	-99.58	363.64	5.84	-93.74
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(NCC(F)(F)F)=C1	REAL300000457200	1	39	-2.0	-104.95	351.55	5.69	-99.26
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000457202	0	40	-2.0	-108.40	369.61	5.26	-103.14
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000457203	1	39	-2.0	-96.34	357.48	5.60	-90.74
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)=C1F	REAL300000457204	0	36	-2.0	-113.03	345.14	5.09	-107.94
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)=C1	REAL300000457205	0	35	-2.0	-105.64	338.46	3.11	-102.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)=C(Cl)O1	REAL300000457206	0	33	-2.0	-96.33	341.62	4.03	-92.30
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(NCC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000457207	0	39	-2.0	-102.32	363.61	5.05	-97.27
CN(C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000457222	0	41	-2.0	-109.32	357.61	7.76	-101.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C2=CC=CC=N2)C=C1	REAL300000457231	1	41	-2.0	-103.95	364.87	5.00	-98.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C2=CC=CC=N2)=C1	REAL300000457232	1	41	-2.0	-108.82	369.08	4.59	-104.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000457233	1	44	-2.0	-111.06	389.15	5.23	-105.83
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C2=CC=CC=N2)=C1	REAL300000457234	0	38	-2.0	-103.47	362.26	3.60	-99.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(O)C1=CC=CC=N1	REAL300000457235	1	44	-2.0	-110.16	384.51	5.37	-104.79
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000457236	0	42	-2.0	-115.49	371.52	4.33	-111.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C2=CC=CC=N2)=CS1	REAL300000457237	0	38	-2.0	-106.90	360.73	3.62	-103.28
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C2=CC=CC=N2)C=C(C(=O)[O-])O1	REAL300000457238	0	41	-2.0	-109.72	367.53	4.10	-105.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C2=CC=CC=N2)S1	REAL300000457239	0	38	-2.0	-106.19	357.15	4.12	-102.07
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C2=CC=CC=N2)C=C1	REAL300000457240	1	44	-2.0	-101.31	391.23	5.36	-95.95
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(O)C1=CC=CC=N1	REAL300000457241	1	44	-2.0	-107.37	379.12	5.23	-102.14
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(O)C1=CC=CC=N1	REAL300000457242	1	44	-2.0	-103.03	375.92	5.81	-97.22
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C2=CC=CC=N2)=CC=C1C(=O)[O-]	REAL300000457243	1	44	-2.0	-99.10	389.13	5.23	-93.87
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C(O)C2=CC=CC=N2)=C1	REAL300000457244	0	40	-2.0	-109.20	365.29	2.70	-106.50
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000457245	0	38	-2.0	-117.10	350.49	3.37	-113.73
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000457246	0	38	-2.0	-106.59	345.26	3.36	-103.23
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000457247	0	38	-2.0	-119.72	345.64	3.35	-116.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N(C)C	REAL300000457248	0	42	-2.0	-123.52	374.11	3.16	-120.36
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000457249	0	42	-2.0	-105.18	376.72	4.64	-100.54
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000457250	0	41	-2.0	-120.77	361.51	3.89	-116.88
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000457251	0	38	-2.0	-113.76	359.06	3.90	-109.86
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000457252	0	38	-2.0	-115.62	358.46	3.73	-111.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)=C1C	REAL300000457253	0	44	-2.0	-120.30	379.07	4.66	-115.64
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000457254	0	38	-2.0	-115.83	351.47	3.39	-112.44
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000457255	0	44	-2.0	-104.83	389.56	4.92	-99.91
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000457256	0	35	-2.0	-113.56	338.45	2.38	-111.18
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N(C)C	REAL300000457257	0	41	-2.0	-118.38	361.40	4.12	-114.26
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000457258	0	42	-2.0	-104.34	376.72	3.63	-100.71
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000457259	0	39	-2.0	-118.34	352.29	2.69	-115.65
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N(C)C	REAL300000457260	0	42	-2.0	-118.34	370.17	2.15	-116.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)=C1	REAL300000457261	0	38	-2.0	-109.54	354.41	3.04	-106.50
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000457262	0	44	-2.0	-119.59	377.19	4.69	-114.90
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000457263	0	35	-2.0	-114.57	336.75	2.35	-112.22
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000457264	0	42	-2.0	-125.61	372.93	3.42	-122.19
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N(C)C	REAL300000457265	0	47	-2.0	-120.42	399.86	5.36	-115.06
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N(C)C	REAL300000457266	0	44	-2.0	-114.81	374.12	5.06	-109.75
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N(C)C	REAL300000457267	0	45	-2.0	-125.74	396.08	3.93	-121.81
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000457268	0	40	-3.0	-197.51	374.62	3.89	-193.62
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000457269	0	45	-2.0	-122.74	390.68	5.18	-117.56
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000457270	0	38	-2.0	-112.09	348.65	2.50	-109.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)=C1	REAL300000457271	0	42	-2.0	-122.82	374.57	2.46	-120.36
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)=CC=C1OCC(=O)[O-]	REAL300000457272	0	45	-2.0	-104.25	396.25	4.29	-99.96
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N(C)C	REAL300000457273	0	41	-2.0	-109.36	366.67	4.15	-105.21
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000457274	0	45	-2.0	-126.44	395.09	4.31	-122.13
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)C=C(C(=O)[O-])S1	REAL300000457275	0	38	-2.0	-115.02	354.59	3.24	-111.78
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000457276	0	38	-2.0	-104.27	358.70	3.91	-100.36
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000457277	0	38	-2.0	-105.64	349.63	3.34	-102.30
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000457278	0	35	-2.0	-108.61	337.90	2.49	-106.12
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000457279	0	38	-2.0	-110.68	352.38	3.40	-107.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)=C1F	REAL300000457280	0	41	-2.0	-117.35	371.71	4.03	-113.32
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000457281	0	38	-2.0	-106.65	351.11	3.42	-103.23
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000457282	0	38	-2.0	-103.70	357.60	3.71	-99.99
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000457283	0	38	-2.0	-108.29	357.01	3.41	-104.88
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000457284	0	40	-2.0	-104.42	374.38	3.99	-100.43
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000457285	0	38	-3.0	-219.52	352.14	1.94	-217.58
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000457285	1	39	-2.0	-115.87	354.99	1.07	-114.80
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000457286	0	41	-2.0	-108.82	367.45	4.13	-104.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N(C)C	REAL300000457287	0	41	-2.0	-117.38	356.11	3.97	-113.41
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)=CC(C(=O)[O-])=C1F	REAL300000457288	0	41	-2.0	-118.96	371.27	3.94	-115.02
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N(C)C	REAL300000457289	0	41	-2.0	-106.85	361.40	4.10	-102.75
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)=CC(C(=O)[O-])=C1C	REAL300000457290	0	44	-2.0	-122.32	378.64	4.38	-117.94
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000457291	0	40	-2.0	-118.03	372.52	4.43	-113.60
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000457292	0	38	-2.0	-107.54	357.38	3.47	-104.07
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)C(C)=C1C(=O)[O-]	REAL300000457293	0	44	-2.0	-121.08	379.56	4.69	-116.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000457294	0	41	-2.0	-117.10	367.57	3.92	-113.18
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)=C1	REAL300000457295	0	41	-2.0	-126.61	371.02	4.02	-122.59
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000457296	0	44	-2.0	-120.89	379.61	4.55	-116.34
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)C=C1CC(=O)[O-]	REAL300000457297	0	45	-2.0	-124.32	396.44	3.47	-120.85
CCN1C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000457298	0	42	-2.0	-118.51	373.12	3.53	-114.98
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)=CC=C1C(=O)[O-]	REAL300000457299	0	41	-2.0	-106.46	361.36	3.87	-102.59
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N(C)C	REAL300000457300	0	41	-2.0	-115.57	365.91	4.15	-111.42
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000457301	0	40	-2.0	-128.26	369.72	5.19	-123.07
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000457302	0	38	-2.0	-125.27	349.29	3.37	-121.90
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000457303	0	41	-2.0	-111.24	367.44	3.90	-107.34
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000457304	0	37	-2.0	-117.58	342.40	1.45	-116.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N(C)C	REAL300000457305	0	42	-2.0	-111.01	373.85	3.17	-107.84
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000457306	0	35	-2.0	-106.24	345.37	2.34	-103.90
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000457307	0	45	-2.0	-112.79	392.11	5.21	-107.58
CN(C)C(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000457308	0	45	-2.0	-118.80	390.04	5.21	-113.59
CCC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000457309	0	41	-2.0	-111.46	368.12	3.32	-108.14
CCCN(C1=CC=C(CC)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000457333	0	46	-2.0	-112.03	400.51	9.78	-102.25
CCCN(C1=CC=C(CC)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000457353	0	44	-2.0	-108.15	378.58	8.13	-100.02
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=N2)=N1	REAL300000457384	0	35	-2.0	-100.71	338.00	2.43	-98.28
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=N2)=N1	REAL300000457385	0	35	-2.0	-91.11	333.46	2.41	-88.70
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=N2)=N1	REAL300000457386	0	35	-2.0	-102.71	333.47	2.41	-100.30
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC(C)=NO2)N=C1	REAL300000457387	0	39	-2.0	-108.34	361.61	2.21	-106.13
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=N2)=N1	REAL300000457388	0	39	-2.0	-91.23	364.92	3.70	-87.53
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=N2)=N1	REAL300000457389	0	38	-2.0	-104.92	353.54	3.05	-101.87
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=N2)=N1	REAL300000457390	0	35	-2.0	-99.15	346.54	2.99	-96.16
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=N2)=N1	REAL300000457391	0	35	-2.0	-98.82	345.98	2.80	-96.02
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=N2)=N1	REAL300000457392	0	41	-2.0	-106.40	365.86	3.71	-102.69
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=N2)=N1	REAL300000457393	0	35	-2.0	-100.24	338.95	2.48	-97.76
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=N2)=N1	REAL300000457394	0	41	-2.0	-90.42	377.03	3.99	-86.43
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=N2)=N1	REAL300000457395	0	32	-2.0	-97.26	326.65	1.43	-95.83
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=N2)=N1	REAL300000457396	0	38	-2.0	-104.68	348.91	3.19	-101.49
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=N2)=N1	REAL300000457397	0	39	-2.0	-89.89	364.54	2.69	-87.20
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=N2)=N1	REAL300000457398	0	36	-2.0	-101.12	340.12	1.75	-99.37
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C=N2)=N1	REAL300000457399	0	39	-2.0	-105.14	357.68	1.22	-103.92
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=N2)=N1	REAL300000457400	0	35	-2.0	-93.61	342.58	2.09	-91.52
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=N2)=N1	REAL300000457401	0	41	-2.0	-105.97	364.54	3.74	-102.23
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=N2)=N1	REAL300000457402	0	32	-2.0	-98.74	325.12	1.44	-97.30
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC(C)=NO3)N=C2)C=C1C(=O)[O-]	REAL300000457403	0	39	-2.0	-108.50	360.75	2.47	-106.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC(C)=NO2)N=C1	REAL300000457404	0	41	-2.0	-103.60	363.61	4.14	-99.46
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=N2)=N1	REAL300000457405	0	35	-2.0	-97.82	336.48	1.54	-96.28
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=N2)=N1	REAL300000457406	0	39	-2.0	-103.66	362.45	1.50	-102.16
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=N2)=N1	REAL300000457407	0	38	-2.0	-95.51	354.18	3.22	-92.29
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=N2)=N1	REAL300000457408	0	35	-2.0	-101.09	343.16	2.29	-98.80
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=N2)=N1	REAL300000457409	0	35	-2.0	-88.84	346.52	2.97	-85.87
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=N2)=N1	REAL300000457410	0	35	-2.0	-91.01	337.98	2.44	-88.57
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=N2)=N1	REAL300000457411	0	32	-2.0	-92.54	325.74	1.54	-91.00
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=N2)=N1	REAL300000457412	0	35	-2.0	-93.95	339.87	2.47	-91.48
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=N2)=N1	REAL300000457413	0	38	-2.0	-101.44	359.21	3.10	-98.34
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=N2)=N1	REAL300000457414	0	35	-2.0	-90.08	338.92	2.48	-87.60
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=N2)=N1	REAL300000457415	0	35	-2.0	-88.83	345.97	2.81	-86.02
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=N2)=N1	REAL300000457416	0	35	-2.0	-92.61	344.30	2.50	-90.11
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=N2)=N1	REAL300000457417	0	36	-2.0	-103.91	343.19	0.11	-103.80
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=N2)=N1	REAL300000457418	0	38	-2.0	-94.73	355.64	3.18	-91.55
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=N2)=N1	REAL300000457419	0	38	-2.0	-98.59	343.50	3.04	-95.55
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=N2)=N1	REAL300000457420	0	38	-2.0	-101.85	358.30	3.06	-98.79
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=N2)=N1	REAL300000457421	0	38	-2.0	-91.70	348.88	3.17	-88.53
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=N2)=N1	REAL300000457422	0	41	-2.0	-106.58	370.27	3.57	-103.01
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=N2)=N1	REAL300000457423	0	35	-2.0	-92.06	345.22	2.53	-89.53
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=N2)=N1	REAL300000457424	0	41	-2.0	-102.68	367.95	3.79	-98.89
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=N2)=N1	REAL300000457425	0	38	-2.0	-101.10	354.94	3.00	-98.10
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=N2)=N1	REAL300000457426	0	38	-2.0	-106.37	358.48	3.10	-103.27
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC(C)=NO3)N=C2)C=C1C(=O)[O-]	REAL300000457427	0	41	-2.0	-104.15	367.71	3.59	-100.56
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NC(C)=NO3)N=C2)C=C1C(=O)[O-]	REAL300000457428	0	39	-2.0	-102.27	361.49	2.62	-99.65
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=N2)=N1	REAL300000457429	0	38	-2.0	-91.17	349.47	2.95	-88.22
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=N2)=N1	REAL300000457430	0	38	-2.0	-102.56	353.43	3.23	-99.33
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=N2)=N1	REAL300000457431	0	35	-2.0	-105.87	337.13	2.43	-103.44
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=N2)=N1	REAL300000457432	0	38	-2.0	-95.41	358.41	3.09	-92.32
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=N2)=N1	REAL300000457433	0	34	-2.0	-100.10	329.69	0.52	-99.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NC(C)=NO2)N=C1	REAL300000457434	0	39	-2.0	-94.92	361.67	2.20	-92.72
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=N2)=N1	REAL300000457435	0	32	-2.0	-91.45	333.61	1.38	-90.07
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NC(C)=NO3)N=C2)C=C(C(=O)[O-])O1	REAL300000457436	0	38	-2.0	-97.85	355.60	2.39	-95.46
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000457437	0	44	-2.0	-92.24	388.44	6.60	-85.64
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000457438	1	37	-2.0	-109.51	336.53	8.04	-101.47
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC2=CC=CC=C21	REAL300000457439	0	45	-2.0	-110.42	391.61	9.10	-101.32
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000457440	1	37	-2.0	-99.29	331.97	8.02	-91.27
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000457441	1	37	-2.0	-112.55	331.99	8.01	-104.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC2=CC=CC=C21	REAL300000457442	0	41	-2.0	-118.08	360.13	7.81	-110.27
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000457443	1	41	-2.0	-98.55	363.43	9.31	-89.24
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000457444	1	40	-2.0	-113.86	348.00	8.55	-105.31
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000457445	0	37	-2.0	-107.62	345.06	8.59	-99.03
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000457446	1	37	-2.0	-108.09	344.50	8.41	-99.68
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000457447	1	43	-2.0	-114.95	365.09	9.35	-105.60
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000457448	0	37	-2.0	-110.07	337.46	8.08	-101.99
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000457449	1	43	-2.0	-97.92	375.56	9.59	-88.33
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000457450	0	34	-2.0	-106.51	325.17	7.03	-99.48
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000457451	1	40	-2.0	-113.03	347.42	8.80	-104.23
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000457452	1	41	-2.0	-97.24	363.05	8.30	-88.94
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000457453	0	38	-2.0	-110.66	338.63	7.37	-103.29
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000457454	1	41	-2.0	-113.17	356.18	6.82	-106.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CC=C32)=C1	REAL300000457455	0	37	-2.0	-102.55	341.12	7.70	-94.85
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000457456	1	43	-2.0	-114.39	363.43	9.33	-105.06
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000457457	0	34	-2.0	-107.99	323.64	7.04	-100.95
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000457458	1	41	-2.0	-118.35	359.28	8.08	-110.27
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000457459	1	47	-2.0	-117.16	387.22	10.63	-106.53
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000457460	1	46	-2.0	-115.30	385.88	10.01	-105.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC2=CC=CC=C21	REAL300000457461	1	43	-2.0	-110.90	360.14	9.65	-101.25
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC2=CC=CC=C21	REAL300000457462	0	44	-2.0	-118.85	382.42	8.57	-110.28
CC1=CC2=CC=CC=C2C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000457463	0	40	-2.0	-110.28	359.36	8.49	-101.79
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000457463	1	39	-3.0	-190.10	360.39	8.57	-181.53
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000457464	1	44	-2.0	-117.58	376.23	9.91	-107.67
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000457465	0	37	-2.0	-105.74	334.99	7.15	-98.59
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000457466	1	43	-2.0	-117.28	374.16	7.79	-109.49
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000457467	0	41	-2.0	-113.65	360.91	7.10	-106.55
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000457468	1	45	-2.0	-98.81	385.62	8.61	-90.20
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000457469	0	37	-2.0	-103.94	349.58	8.60	-95.34
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000457470	1	44	-2.0	-97.77	383.14	8.99	-88.78
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000457471	1	40	-2.0	-103.27	352.69	8.83	-94.44
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000457472	1	41	-2.0	-96.45	369.28	8.36	-88.09
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000457473	1	44	-2.0	-119.02	381.12	8.99	-110.03
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300000457474	0	37	-2.0	-109.30	340.61	7.90	-101.40
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000457475	0	37	-2.0	-96.50	345.04	8.57	-87.93
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000457476	1	37	-2.0	-98.53	336.52	8.05	-90.48
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000457477	0	34	-2.0	-101.31	324.24	7.14	-94.17
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000457478	0	37	-2.0	-103.02	338.41	8.08	-94.94
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000457479	0	40	-2.0	-111.55	357.73	8.71	-102.84
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000457480	0	37	-2.0	-99.02	337.45	8.08	-90.94
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000457481	1	37	-2.0	-96.71	344.49	8.42	-88.29
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000457482	1	40	-2.0	-104.96	361.43	9.21	-95.75
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000457483	0	45	-2.0	-95.00	395.71	9.42	-85.58
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000457484	1	37	-2.0	-100.76	342.80	8.11	-92.65
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000457485	0	39	-2.0	-96.98	360.17	8.68	-88.30
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000457486	0	38	-2.0	-111.91	341.70	5.73	-106.18
CC1=CC2=CC=CC=C2C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000457486	1	38	-2.0	-108.38	336.28	6.58	-101.80
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000457487	1	40	-2.0	-103.07	354.16	8.79	-94.28
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000457488	1	37	-2.0	-102.37	352.69	8.54	-93.83
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000457489	1	40	-2.0	-108.35	342.02	8.65	-99.70
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000457490	1	40	-2.0	-110.97	356.83	8.66	-102.31
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000457491	1	40	-2.0	-99.10	347.40	8.78	-90.32
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000457492	1	43	-2.0	-115.96	364.87	9.07	-106.89
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000457493	0	39	-2.0	-109.94	358.54	9.11	-100.83
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000457494	0	37	-2.0	-101.37	343.72	8.14	-93.23
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000457495	1	43	-2.0	-112.59	366.46	9.40	-103.19
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000457496	0	40	-2.0	-112.42	357.30	8.71	-103.71
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000457497	0	40	-2.0	-109.55	363.77	9.15	-100.40
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000457498	0	40	-2.0	-117.76	357.02	8.70	-109.06
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000457499	1	43	-2.0	-114.59	366.31	9.20	-105.39
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CC=C32)C=C1CC(=O)[O-]	REAL300000457500	1	44	-2.0	-114.92	382.46	8.13	-106.79
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000457501	1	40	-2.0	-101.29	358.77	9.16	-92.13
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000457502	1	40	-2.0	-109.93	363.21	8.97	-100.96
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000457503	0	41	-2.0	-112.02	360.01	8.23	-103.79
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000457504	1	49	-2.0	-112.88	397.13	10.88	-102.00
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000457505	1	40	-2.0	-105.79	361.85	8.98	-96.81
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000457506	1	40	-2.0	-99.52	347.99	8.56	-90.96
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000457507	1	40	-2.0	-109.92	351.93	8.83	-101.09
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000457508	0	39	-2.0	-119.73	355.71	9.86	-109.87
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000457509	0	37	-2.0	-116.85	335.62	8.04	-108.81
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000457510	1	40	-2.0	-104.06	353.15	8.58	-95.48
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000457511	1	43	-2.0	-121.05	373.03	10.13	-110.92
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000457512	0	36	-2.0	-110.51	328.20	6.14	-104.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC2=CC=CC=C21	REAL300000457513	0	41	-2.0	-103.69	360.19	7.81	-95.88
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000457514	0	34	-2.0	-99.48	332.09	6.99	-92.49
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000457515	1	44	-2.0	-105.98	378.11	9.89	-96.09
CC1=CC2=CC=CC=C2C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000457516	1	44	-2.0	-108.90	377.42	9.90	-99.00
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000457517	0	40	-2.0	-105.26	354.11	8.00	-97.26
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000457518	0	41	-2.0	-120.31	375.68	5.14	-115.17
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000457519	0	41	-2.0	-109.41	371.13	5.12	-104.29
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000457520	0	41	-2.0	-122.46	371.14	5.11	-117.35
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=N1	REAL300000457521	0	45	-2.0	-128.75	399.28	4.93	-123.82
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000457522	0	45	-2.0	-108.65	402.60	6.41	-102.24
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000457523	0	44	-2.0	-124.71	387.15	5.65	-119.06
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000457524	0	41	-2.0	-118.20	384.22	5.67	-112.53
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000457525	0	41	-2.0	-118.90	383.65	5.50	-113.40
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000457526	0	47	-2.0	-125.94	403.81	6.46	-119.48
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000457527	0	41	-2.0	-120.33	376.60	5.17	-115.16
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000457528	0	47	-2.0	-108.24	414.72	6.70	-101.54
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000457529	0	38	-2.0	-116.40	364.33	4.14	-112.26
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000457530	0	44	-2.0	-123.76	386.58	5.89	-117.87
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000457531	0	45	-2.0	-107.40	402.22	5.40	-102.00
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000457532	0	42	-2.0	-120.68	377.79	4.46	-116.22
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000457533	0	45	-2.0	-124.27	394.93	3.95	-120.32
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300000457534	0	41	-2.0	-112.70	380.26	4.80	-107.90
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000457535	0	47	-2.0	-125.22	402.60	6.43	-118.79
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000457536	0	38	-2.0	-118.50	362.80	4.14	-114.36
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000457537	0	45	-2.0	-128.30	398.43	5.18	-123.12
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000457538	0	50	-2.0	-126.07	425.04	7.12	-118.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCCOC)C=C1C	REAL300000457539	0	47	-2.0	-121.85	401.27	6.84	-115.01
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=N1	REAL300000457540	0	48	-2.0	-128.87	421.56	5.68	-123.19
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000457541	0	43	-3.0	-199.46	399.55	5.68	-193.78
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000457542	0	48	-2.0	-128.24	415.38	7.00	-121.24
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300000457543	0	41	-2.0	-116.02	374.15	4.26	-111.76
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=N1	REAL300000457544	0	45	-2.0	-123.88	400.13	4.20	-119.68
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=N1	REAL300000457545	0	48	-2.0	-107.93	422.29	6.10	-101.83
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000457546	0	44	-2.0	-113.78	391.85	5.93	-107.85
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CCCOC)C=C2C)C=C1C(=O)[O-]	REAL300000457547	0	48	-2.0	-129.88	420.29	6.09	-123.79
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300000457548	0	41	-2.0	-119.61	380.84	5.00	-114.61
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000457549	0	41	-2.0	-106.65	384.20	5.66	-100.99
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000457550	0	41	-2.0	-108.52	375.67	5.15	-103.37
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000457551	0	38	-2.0	-111.39	363.40	4.24	-107.15
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000457552	0	41	-2.0	-113.64	377.54	5.18	-108.46
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000457553	0	44	-2.0	-121.87	396.90	5.82	-116.05
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000457554	0	41	-2.0	-109.02	376.61	5.18	-103.84
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000457555	0	41	-2.0	-106.81	383.64	5.51	-101.30
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000457556	0	41	-2.0	-110.59	381.97	5.21	-105.38
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000457557	0	43	-2.0	-106.76	399.32	5.78	-100.98
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000457558	0	42	-2.0	-122.80	380.86	2.83	-119.97
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000457559	0	44	-2.0	-113.83	393.32	5.90	-107.93
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000457560	0	44	-2.0	-118.65	381.22	5.75	-112.90
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000457561	0	44	-2.0	-120.85	395.97	5.76	-115.09
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000457562	0	44	-2.0	-109.47	386.56	5.88	-103.59
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000457563	0	47	-2.0	-128.08	407.96	6.28	-121.80
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000457564	0	43	-2.0	-120.44	397.69	6.20	-114.24
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000457565	0	41	-2.0	-111.59	382.90	5.24	-106.35
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000457566	0	47	-2.0	-122.73	405.62	6.50	-116.23
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000457567	0	44	-2.0	-122.82	396.47	5.81	-117.01
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=N1	REAL300000457568	0	44	-2.0	-127.81	396.18	5.80	-122.01
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CCCOC)C=C2C)C=C1C(=O)[O-]	REAL300000457569	0	47	-2.0	-125.49	405.46	6.30	-119.19
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=N1	REAL300000457570	0	48	-2.0	-125.09	421.61	5.24	-119.85
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCCOC)C=C2C)C=C1C(=O)[O-]	REAL300000457571	0	45	-2.0	-121.93	399.08	5.32	-116.61
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000457572	0	44	-2.0	-109.62	387.14	5.66	-103.96
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000457573	0	44	-2.0	-120.97	390.68	5.95	-115.02
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000457574	0	43	-2.0	-129.93	394.89	6.98	-122.95
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000457575	0	41	-2.0	-126.96	374.80	5.15	-121.81
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000457576	0	44	-2.0	-113.95	392.30	5.68	-108.27
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000457577	0	40	-2.0	-120.45	367.36	3.24	-117.21
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300000457578	0	45	-2.0	-113.95	399.35	4.92	-109.03
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000457579	0	38	-2.0	-109.71	371.24	4.08	-105.63
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000457580	0	48	-2.0	-116.25	417.27	7.00	-109.25
COCCCN1C=C(C)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000457581	0	48	-2.0	-119.59	416.58	7.00	-112.59
CCC1=C(S(=O)(=O)[N-]C2=NN(CCCOC)C=C2C)C=C(C(=O)[O-])O1	REAL300000457582	0	44	-2.0	-115.89	393.27	5.11	-110.78
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(OC)=C1F	REAL300000457583	0	36	-2.0	-98.24	349.09	4.03	-94.21
COC1=C(F)C(OC)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000457584	0	36	-2.0	-88.53	344.53	4.01	-84.52
COC1=C(F)C(OC)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000457585	0	36	-2.0	-99.48	344.56	4.00	-95.48
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(OC)=C1F	REAL300000457586	0	40	-2.0	-88.37	376.01	5.30	-83.07
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(OC)=C1F	REAL300000457587	0	39	-2.0	-100.16	360.58	4.53	-95.63
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(OC)=C1F	REAL300000457588	0	36	-2.0	-96.78	350.04	4.07	-92.71
COC1=C(F)C(OC)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000457589	0	33	-2.0	-94.20	337.74	3.02	-91.18
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(OC)=C1F	REAL300000457590	0	39	-2.0	-100.51	360.00	4.77	-95.74
COC1=C(F)C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(OC)=C1F	REAL300000457591	0	37	-2.0	-99.36	351.21	3.34	-96.02
COC1=C(F)C(OC)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000457592	0	36	-2.0	-90.64	353.67	3.68	-86.96
COC1=C(F)C(OC)=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000457593	0	33	-2.0	-95.40	336.21	3.03	-92.37
COC1=C(F)C(OC)=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000457594	0	36	-2.0	-94.00	347.56	3.14	-90.86
COC1=C(F)C(OC)=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000457595	0	36	-2.0	-97.21	353.18	3.89	-93.32
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(OC)=C1F	REAL300000457596	0	36	-2.0	-88.09	349.07	4.04	-84.05
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(OC)=C1F	REAL300000457597	0	33	-2.0	-89.60	336.82	3.13	-86.47
COC1=C(F)C(OC)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000457598	0	36	-2.0	-90.80	350.98	4.07	-86.73
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(OC)=C1F	REAL300000457599	0	36	-2.0	-87.53	350.01	4.07	-83.46
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(OC)=C1F	REAL300000457600	0	37	-2.0	-99.35	354.27	1.71	-97.64
COC1=C(F)C(OC)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000457601	0	39	-2.0	-91.50	366.72	4.79	-86.71
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(OC)=C1F	REAL300000457602	0	39	-2.0	-96.56	354.60	4.62	-91.94
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(OC)=C1F	REAL300000457603	0	39	-2.0	-89.07	359.97	4.76	-84.31
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C(F)=C2OC)C=C1C(=O)[O-]	REAL300000457604	0	40	-2.0	-99.24	372.58	4.21	-95.03
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(OC)=C1F	REAL300000457605	0	39	-2.0	-88.59	360.57	4.55	-84.04
COC1=C(F)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(OC)=C1F	REAL300000457606	0	36	-2.0	-103.17	348.19	4.03	-99.14
COC1=C(F)C(OC)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000457607	0	35	-2.0	-98.26	340.77	2.12	-96.14
COC1=C(F)C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(OC)=C1F	REAL300000457608	0	33	-2.0	-88.20	344.66	2.98	-85.22
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C(F)=C2OC)C=C(C(=O)[O-])O1	REAL300000457609	0	39	-2.0	-93.80	366.69	3.98	-89.82
CCC1=CC=C(N(CC2CC2)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000457644	0	45	-2.0	-111.95	375.19	8.94	-103.01
COC1=CC=C(N(CC2CC2)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000457699	0	43	-2.0	-109.74	361.83	6.80	-102.94
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(Br)=C1	REAL300000457721	1	29	-2.0	-98.11	308.68	4.02	-94.09
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(Br)=C1	REAL300000457725	1	29	-2.0	-93.15	307.76	4.11	-89.04
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(Br)=C1	REAL300000457726	1	31	-2.0	-101.12	311.71	3.11	-98.01
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000457727	1	37	-2.0	-103.83	342.37	4.06	-99.77
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300000457728	1	37	-2.0	-93.96	337.82	4.04	-89.92
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000457729	1	37	-2.0	-106.27	337.84	4.03	-102.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC(OC)=C2C=C1	REAL300000457730	0	41	-2.0	-111.59	365.98	3.84	-107.75
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C21	REAL300000457731	1	41	-2.0	-93.51	369.30	5.33	-88.18
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000457732	1	40	-2.0	-107.35	353.86	4.57	-102.78
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C21	REAL300000457733	0	37	-2.0	-101.92	350.91	4.61	-97.31
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000457734	1	37	-2.0	-102.13	350.35	4.42	-97.71
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=CC=C21	REAL300000457735	1	43	-2.0	-109.28	370.52	5.39	-103.89
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C21	REAL300000457736	0	37	-2.0	-103.47	343.32	4.10	-99.37
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300000457737	1	43	-2.0	-92.83	381.41	5.62	-87.21
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000457738	0	34	-2.0	-100.60	331.03	3.06	-97.54
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C21	REAL300000457739	1	40	-2.0	-107.18	353.27	4.82	-102.36
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=CC=C21	REAL300000457740	1	41	-2.0	-92.20	368.92	4.32	-87.88
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000457741	0	38	-2.0	-104.63	344.49	3.39	-101.24
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)=CC=C21	REAL300000457742	1	41	-2.0	-107.63	362.05	2.85	-104.78
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC=C21	REAL300000457743	0	37	-2.0	-96.71	346.95	3.72	-92.99
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=CC=C21	REAL300000457744	1	43	-2.0	-108.70	368.91	5.38	-103.32
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000457745	0	34	-2.0	-102.03	329.49	3.07	-98.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(OC)=C3C=C2)C=C1C(=O)[O-]	REAL300000457746	1	41	-2.0	-112.08	365.12	4.11	-107.97
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC(OC)=C2C=C1	REAL300000457747	1	43	-2.0	-105.61	367.97	5.77	-99.84
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C21	REAL300000457748	1	44	-2.0	-111.23	382.09	5.94	-105.29
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C21	REAL300000457749	0	37	-2.0	-100.20	340.85	3.19	-97.01
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000457750	0	41	-2.0	-107.40	366.82	3.12	-104.28
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=CC=C21	REAL300000457751	1	40	-2.0	-97.77	358.55	4.86	-92.91
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C21	REAL300000457752	0	37	-2.0	-103.67	346.44	3.94	-99.73
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C21	REAL300000457753	0	37	-2.0	-91.56	350.89	4.59	-86.97
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000457754	1	37	-2.0	-93.47	342.36	4.07	-89.40
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000457755	0	34	-2.0	-95.55	330.11	3.16	-92.39
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000457756	0	37	-2.0	-97.20	344.25	4.10	-93.10
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=CC=C21	REAL300000457757	0	40	-2.0	-104.79	363.61	4.74	-100.05
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300000457758	0	37	-2.0	-93.32	343.30	4.10	-89.22
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000457759	1	37	-2.0	-91.54	350.33	4.43	-87.11
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000457760	1	37	-2.0	-95.43	348.67	4.14	-91.29
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C21	REAL300000457761	0	38	-2.0	-106.12	347.56	1.75	-104.37
COC1=NC=CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C21	REAL300000457761	1	38	-2.0	-106.17	346.78	2.55	-103.62
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C21	REAL300000457762	1	40	-2.0	-98.07	360.02	4.82	-93.25
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C21	REAL300000457763	1	40	-2.0	-102.66	347.39	4.73	-97.93
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000457764	1	40	-2.0	-105.10	362.68	4.68	-100.42
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=CC=C21	REAL300000457765	1	40	-2.0	-94.20	353.26	4.81	-89.39
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000457766	1	43	-2.0	-110.61	374.64	5.20	-105.41
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C21	REAL300000457767	0	37	-2.0	-95.15	349.59	4.16	-90.99
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=CC=C21	REAL300000457768	1	43	-2.0	-106.90	371.23	5.45	-101.45
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=CC=C21	REAL300000457769	0	40	-2.0	-105.74	363.16	4.73	-101.01
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000457770	0	40	-2.0	-111.14	362.88	4.72	-106.42
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(OC)=C3C=C2)C=C1C(=O)[O-]	REAL300000457771	1	43	-2.0	-108.03	372.07	5.22	-102.81
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=NC(OC)=C3C=C2)C=C1C(=O)[O-]	REAL300000457772	0	41	-2.0	-105.83	365.86	4.25	-101.58
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C21	REAL300000457773	1	40	-2.0	-94.14	353.85	4.58	-89.56
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=CC=C21	REAL300000457774	1	40	-2.0	-104.93	357.38	4.87	-100.06
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000457775	0	37	-2.0	-110.42	341.50	4.07	-106.35
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000457776	1	40	-2.0	-98.93	362.78	4.72	-94.21
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000457777	0	36	-2.0	-103.39	334.83	2.10	-101.29
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=CC=NC(OC)=C2C=C1	REAL300000457778	0	41	-2.0	-98.08	366.04	3.84	-94.24
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C21	REAL300000457779	0	34	-2.0	-94.10	337.99	3.02	-91.08
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C21	REAL300000457780	1	44	-2.0	-100.43	383.97	5.92	-94.51
COC1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C21	REAL300000457781	1	44	-2.0	-103.84	383.28	5.92	-97.92
CCC1=C(S(=O)(=O)[N-]C2=CC3=CC=NC(OC)=C3C=C2)C=C(C(=O)[O-])O1	REAL300000457782	0	40	-2.0	-100.11	359.97	4.04	-96.07
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000457788	1	41	-2.0	-108.57	372.89	6.17	-102.40
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000457789	1	41	-2.0	-98.42	368.36	6.14	-92.28
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000457790	0	41	-2.0	-111.08	368.44	6.14	-104.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NC(C)C)C=C1C(=O)[O-]	REAL300000457791	1	44	-2.0	-112.24	384.38	6.67	-105.57
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000457792	0	41	-2.0	-109.99	373.83	6.20	-103.79
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000457793	0	38	-2.0	-105.51	361.55	5.16	-100.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC([N+](=O)[O-])=CC=C1NC(C)C	REAL300000457794	0	44	-2.0	-114.36	383.80	6.92	-107.44
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000457795	0	42	-2.0	-109.48	375.01	5.49	-103.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NC(C)C)=C1	REAL300000457796	0	41	-2.0	-101.41	377.47	5.83	-95.58
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000457797	0	38	-2.0	-106.93	360.09	5.18	-101.75
CC1=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NC(C)C)C=C(C(=O)[O-])O1	REAL300000457798	0	41	-2.0	-106.39	371.37	5.29	-101.10
CC1=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NC(C)C)C=C(C(=O)[O-])S1	REAL300000457799	0	41	-2.0	-110.00	378.04	6.02	-103.98
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000457800	0	41	-2.0	-97.83	372.87	6.17	-91.66
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000457801	0	38	-2.0	-100.20	360.62	5.26	-94.94
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000457802	0	41	-2.0	-102.06	374.76	6.21	-95.85
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000457803	0	41	-2.0	-97.57	373.81	6.21	-91.36
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000457804	0	42	-2.0	-113.60	378.06	3.84	-109.76
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000457805	0	44	-2.0	-103.42	390.53	6.92	-96.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC([N+](=O)[O-])=CC=C1NC(C)C	REAL300000457806	0	44	-2.0	-105.78	378.47	6.77	-99.01
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC([N+](=O)[O-])=CC=C1NC(C)C	REAL300000457807	1	44	-2.0	-99.06	383.77	6.91	-92.15
CCN1C=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NC(C)C)C=C1C(=O)[O-]	REAL300000457808	0	45	-2.0	-110.66	396.30	6.34	-104.32
CC1=CC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NC(C)C)=CC=C1C(=O)[O-]	REAL300000457809	1	44	-2.0	-98.50	384.28	6.70	-91.80
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000457810	0	41	-2.0	-113.34	371.98	6.16	-107.18
CC(C)NC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000457811	0	40	-2.0	-110.85	365.33	4.21	-106.64
CCC1=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NC(C)C)C=C(C(=O)[O-])O1	REAL300000457812	0	44	-2.0	-106.64	390.48	6.14	-100.50
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC(C(N)=O)=C1	REAL300000457813	1	42	-2.0	-84.91	378.06	1.05	-83.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457814	1	35	-2.0	-100.38	326.14	2.49	-97.89
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(N)=O)=C1	REAL300000457815	0	43	-2.0	-101.49	381.22	3.55	-97.94
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(C(N)=O)=C1	REAL300000457816	1	35	-2.0	-90.92	321.59	2.47	-88.45
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457817	1	35	-2.0	-102.50	321.61	2.46	-100.04
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(N)=O)=C1	REAL300000457818	0	39	-2.0	-107.55	349.75	2.26	-105.29
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC(C(N)=O)=C1	REAL300000457819	1	39	-2.0	-90.74	353.05	3.76	-86.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457820	1	38	-2.0	-103.55	337.62	3.00	-100.55
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC(C(N)=O)=C1	REAL300000457821	0	35	-2.0	-98.18	334.68	3.04	-95.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457822	1	35	-2.0	-98.58	334.11	2.86	-95.72
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC(C(N)=O)=C1	REAL300000457823	1	41	-2.0	-105.48	354.28	3.81	-101.67
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(C(N)=O)=C1	REAL300000457824	0	35	-2.0	-99.54	327.08	2.53	-97.01
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC(C(N)=O)=C1	REAL300000457825	1	41	-2.0	-89.82	365.17	4.05	-85.77
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(C(N)=O)=C1	REAL300000457826	0	32	-2.0	-97.15	314.79	1.48	-95.67
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(C(N)=O)=C1	REAL300000457827	1	38	-2.0	-103.38	337.04	3.25	-100.13
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC(C(N)=O)=C1	REAL300000457828	1	39	-2.0	-89.41	352.67	2.75	-86.66
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457829	0	36	-2.0	-101.11	328.25	1.81	-99.30
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC(C)=C2)=C1	REAL300000457831	0	35	-2.0	-93.54	330.71	2.15	-91.39
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC(C(N)=O)=C1	REAL300000457832	1	41	-2.0	-104.53	353.07	3.79	-100.74
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457833	0	32	-2.0	-98.50	313.26	1.50	-97.00
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(N)=O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000457834	1	43	-2.0	-103.18	379.94	2.27	-100.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000457835	1	39	-2.0	-108.43	348.90	2.53	-105.90
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC(C(N)=O)=C1	REAL300000457836	1	45	-2.0	-106.96	376.84	5.09	-101.87
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC(C(N)=O)=C1	REAL300000457837	1	44	-2.0	-105.34	375.50	4.47	-100.87
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(N)=O)=C1	REAL300000457838	1	41	-2.0	-101.88	351.74	4.18	-97.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(N)=O)=C1	REAL300000457839	0	42	-2.0	-107.11	372.04	3.02	-104.09
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457840	0	38	-2.0	-117.46	352.47	3.02	-114.44
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457840	1	37	-3.0	-176.36	350.01	3.02	-173.34
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC(C(N)=O)=C1	REAL300000457841	1	42	-2.0	-107.34	365.85	4.36	-102.98
CC1=C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC(C)=C2)C=C(C(=O)[O-])O1	REAL300000457842	0	35	-2.0	-97.03	324.61	1.61	-95.42
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457843	1	41	-2.0	-107.38	363.77	2.24	-105.14
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC(C(N)=O)=C1	REAL300000457844	0	39	-2.0	-103.62	350.59	1.55	-102.07
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=CC(C(N)=O)=C1	REAL300000457845	1	43	-2.0	-90.49	375.25	3.08	-87.41
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC(C(N)=O)=C1	REAL300000457846	0	35	-2.0	-95.28	339.20	3.06	-92.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CC(C(N)=O)=C1	REAL300000457847	1	39	-2.0	-88.12	368.72	3.29	-84.83
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CC(C(N)=O)=C1	REAL300000457848	1	42	-2.0	-89.84	372.76	3.45	-86.39
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC(C(N)=O)=C1	REAL300000457849	1	38	-2.0	-94.42	342.32	3.28	-91.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC(C(N)=O)=C1	REAL300000457850	1	39	-2.0	-89.19	358.91	2.81	-86.38
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000457851	1	42	-2.0	-109.11	370.74	3.44	-105.67
CC1=C(S(=O)(=O)[N-]C2=CC(C(N)=O)=CC(C)=C2)C=C(C(=O)[O-])S1	REAL300000457852	0	35	-2.0	-100.16	330.20	2.36	-97.80
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC(C(N)=O)=C1	REAL300000457853	0	35	-2.0	-88.55	334.66	3.02	-85.53
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(N)=O)=C1	REAL300000457854	1	35	-2.0	-90.63	326.13	2.50	-88.13
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(C(N)=O)=C1	REAL300000457855	0	32	-2.0	-92.33	313.86	1.59	-90.74
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457856	1	35	-2.0	-93.81	328.01	2.53	-91.28
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC(C(N)=O)=C1	REAL300000457857	0	38	-2.0	-100.90	347.37	3.17	-97.73
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C(N)=O)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000457858	0	39	-2.0	-93.30	361.91	3.08	-90.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(C(N)=O)=C1	REAL300000457859	0	35	-2.0	-90.16	327.06	2.53	-87.63
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(C(N)=O)=C1	REAL300000457860	1	35	-2.0	-88.60	334.10	2.87	-85.73
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC(C(N)=O)=C1	REAL300000457861	1	38	-2.0	-96.04	351.05	3.67	-92.37
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC(C(N)=O)=C1	REAL300000457862	1	43	-2.0	-87.66	385.35	3.88	-83.78
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457863	1	35	-2.0	-92.33	332.44	2.56	-89.77
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457864	0	37	-2.0	-88.22	349.80	3.13	-85.09
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(C(N)=O)=C1	REAL300000457865	0	36	-2.0	-102.25	331.32	0.17	-102.08
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(C(N)=O)=C1	REAL300000457865	1	36	-2.0	-117.85	330.52	0.96	-116.89
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(C(N)=O)=C1	REAL300000457866	1	38	-2.0	-94.13	343.77	3.25	-90.88
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457867	1	35	-2.0	-93.63	342.33	2.99	-90.64
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(C(N)=O)=C1	REAL300000457868	1	38	-2.0	-98.86	331.65	3.10	-95.76
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457869	1	38	-2.0	-101.63	346.46	3.11	-98.52
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC(C(N)=O)=C1	REAL300000457870	1	38	-2.0	-91.21	337.01	3.25	-87.96
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457871	1	41	-2.0	-106.63	359.11	3.66	-102.97
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457872	0	37	-2.0	-101.65	348.18	3.56	-98.09
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC(C(N)=O)=C1	REAL300000457873	0	35	-2.0	-91.58	333.36	2.59	-88.99
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC(C(N)=O)=C1	REAL300000457874	1	41	-2.0	-103.08	356.08	3.86	-99.22
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC(C(N)=O)=C1	REAL300000457875	0	38	-2.0	-101.71	346.92	3.16	-98.55
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC(C(N)=O)=C1	REAL300000457876	0	38	-2.0	-99.89	353.35	3.60	-96.29
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC(C(N)=O)=C1	REAL300000457877	0	38	-2.0	-107.21	346.64	3.16	-104.05
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000457878	1	41	-2.0	-104.22	355.57	3.65	-100.57
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(N)=O)=C2)C=C1CC(=O)[O-]	REAL300000457879	1	42	-2.0	-104.98	372.08	2.60	-102.38
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC(C(N)=O)=C1	REAL300000457880	1	38	-2.0	-92.44	347.87	3.64	-88.80
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457881	1	38	-2.0	-100.26	352.85	3.42	-96.84
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000457882	0	39	-2.0	-102.32	349.63	2.67	-99.65
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457884	1	38	-2.0	-97.18	355.35	3.53	-93.65
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457885	0	44	-2.0	-99.97	371.04	4.60	-95.37
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000457886	0	39	-2.0	-103.82	361.92	3.09	-100.73
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(C(N)=O)=C1	REAL300000457887	1	38	-2.0	-90.95	337.61	3.01	-87.94
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC(C(N)=O)=C1	REAL300000457888	0	40	-2.0	-95.60	364.87	4.65	-90.95
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC(C(N)=O)=C1	REAL300000457889	1	38	-2.0	-101.43	341.14	3.30	-98.13
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC(C(N)=O)=C1	REAL300000457890	0	37	-2.0	-109.56	345.35	4.31	-105.25
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(C(N)=O)=C1	REAL300000457891	0	35	-2.0	-106.48	325.26	2.50	-103.98
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457892	1	38	-2.0	-95.42	346.54	3.14	-92.28
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457893	1	41	-2.0	-110.57	362.65	4.58	-105.99
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(C(N)=O)=C1	REAL300000457894	0	34	-2.0	-100.14	317.82	0.59	-99.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(N)=O)=C1	REAL300000457895	0	39	-2.0	-94.79	349.81	2.26	-92.53
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(C(N)=O)=C1	REAL300000457896	0	32	-2.0	-91.04	321.75	1.44	-89.60
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC(C(N)=O)=C1	REAL300000457897	1	42	-2.0	-97.24	367.73	4.35	-92.89
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC(C(N)=O)=C1	REAL300000457898	1	42	-2.0	-100.33	367.05	4.35	-95.98
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000457899	0	38	-2.0	-96.95	343.74	2.46	-94.49
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1	REAL300000457900	1	41	-2.0	-85.53	370.11	4.58	-80.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=CC=C1F	REAL300000457901	1	34	-2.0	-101.19	318.19	6.02	-95.17
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCC2=O	REAL300000457902	0	42	-2.0	-102.84	373.27	7.08	-95.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1	REAL300000457903	1	34	-2.0	-91.52	313.64	6.00	-85.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1	REAL300000457904	1	34	-2.0	-103.55	313.65	5.99	-97.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCC2=O	REAL300000457905	0	38	-2.0	-109.42	341.80	5.79	-103.63
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1	REAL300000457906	1	38	-2.0	-91.41	345.10	7.29	-84.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1C(=O)[O-]	REAL300000457907	1	37	-2.0	-104.63	329.67	6.53	-98.10
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1	REAL300000457908	0	34	-2.0	-99.70	326.73	6.57	-93.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=CC=C1Cl	REAL300000457909	1	34	-2.0	-99.50	326.16	6.39	-93.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1C	REAL300000457910	1	40	-2.0	-107.01	346.76	7.33	-99.68
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1	REAL300000457911	0	34	-2.0	-101.15	319.13	6.06	-95.09
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1	REAL300000457912	1	40	-2.0	-90.67	357.22	7.58	-83.09
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1	REAL300000457913	0	31	-2.0	-97.99	306.84	5.01	-92.98
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCC2=O	REAL300000457914	1	37	-2.0	-105.18	329.09	6.78	-98.40
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1	REAL300000457915	1	38	-2.0	-90.04	344.72	6.28	-83.76
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1C(=O)[O-]	REAL300000457916	0	35	-2.0	-102.01	320.29	5.34	-96.67
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCC2=O	REAL300000457917	1	38	-2.0	-105.56	337.86	4.81	-100.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1	REAL300000457918	0	34	-2.0	-94.19	322.77	5.68	-88.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1C(=O)[O-]	REAL300000457919	1	40	-2.0	-106.31	345.10	7.31	-99.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=CS1	REAL300000457920	0	31	-2.0	-99.41	305.30	5.03	-94.38
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=CC(C(=O)[O-])=C1OC	REAL300000457921	1	42	-2.0	-103.91	371.97	5.80	-98.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1C(=O)[O-]	REAL300000457922	1	38	-2.0	-109.39	340.93	6.06	-103.33
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1	REAL300000457923	1	44	-2.0	-108.80	368.89	8.62	-100.18
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCC2=O	REAL300000457924	1	43	-2.0	-107.25	367.56	8.00	-99.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCC2=O	REAL300000457925	1	40	-2.0	-103.69	343.81	7.73	-95.96
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCC2=O	REAL300000457926	0	41	-2.0	-109.16	364.09	6.56	-102.60
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2CCC3=O)=CC(C(=O)[O-])=C1	REAL300000457927	0	37	-2.0	-109.99	342.24	6.48	-103.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=CC(C(=O)[O-])=C1	REAL300000457927	1	36	-3.0	-177.46	342.06	6.56	-170.90
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1	REAL300000457928	1	41	-2.0	-109.16	357.90	7.89	-101.27
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C(C(=O)[O-])O1	REAL300000457929	0	34	-2.0	-98.28	316.66	5.14	-93.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCC(=O)C3=CC=C2)=CC2=C1OCCO2	REAL300000457930	1	40	-2.0	-108.25	355.82	5.77	-102.48
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1	REAL300000457931	0	38	-2.0	-104.22	342.64	5.08	-99.14
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=C4CCC(=O)C4=CC=C3)C=C2C1	REAL300000457932	1	42	-2.0	-91.25	367.29	6.60	-84.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C(Cl)C=C1F	REAL300000457933	0	34	-2.0	-96.56	331.25	6.58	-89.98
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1Cl	REAL300000457934	1	38	-2.0	-88.65	360.75	6.82	-81.83
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=CC=C1OCC(=O)[O-]	REAL300000457935	1	41	-2.0	-90.47	364.80	6.98	-83.49
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCC2=O	REAL300000457936	1	37	-2.0	-95.81	334.36	6.81	-89.00
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1F	REAL300000457937	1	38	-2.0	-89.72	350.95	6.34	-83.38
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1C(=O)[O-]	REAL300000457938	1	41	-2.0	-110.03	362.79	6.97	-103.06
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C(C(=O)[O-])S1	REAL300000457939	0	34	-2.0	-101.69	322.28	5.88	-95.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C(Cl)=C1	REAL300000457940	0	34	-2.0	-89.05	326.70	6.55	-82.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1F	REAL300000457941	1	34	-2.0	-91.12	318.17	6.03	-85.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)S1	REAL300000457942	0	31	-2.0	-93.09	305.91	5.12	-87.97
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1	REAL300000457943	1	34	-2.0	-94.62	320.06	6.06	-88.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1F	REAL300000457944	0	37	-2.0	-102.48	339.41	6.70	-95.78
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C(Cl)C=C1C(=O)[O-]	REAL300000457945	0	38	-2.0	-93.68	353.96	6.62	-87.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C(F)=C1	REAL300000457946	0	34	-2.0	-90.72	319.12	6.06	-84.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1Cl	REAL300000457947	1	34	-2.0	-89.13	326.14	6.40	-82.73
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCC2=O	REAL300000457948	1	37	-2.0	-97.51	343.10	7.20	-90.31
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1	REAL300000457949	1	42	-2.0	-88.34	377.39	7.41	-80.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=CC(F)=C1F	REAL300000457950	1	34	-2.0	-93.01	324.47	6.09	-86.92
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1	REAL300000457951	0	36	-2.0	-88.90	341.84	6.66	-82.24
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1	REAL300000457952	0	35	-2.0	-104.42	323.37	3.71	-100.71
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC3=C2CCC3=O)=C1	REAL300000457952	1	35	-2.0	-107.61	319.17	4.01	-103.60
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1	REAL300000457953	1	37	-2.0	-95.32	335.82	6.78	-88.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=CC(Cl)=C1F	REAL300000457954	1	34	-2.0	-94.32	334.36	6.52	-87.80
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCC2=O	REAL300000457955	1	37	-2.0	-99.16	323.72	6.63	-92.53
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=CC(C(=O)[O-])=C1F	REAL300000457956	1	37	-2.0	-102.51	338.49	6.64	-95.87
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCC2=O	REAL300000457957	1	37	-2.0	-91.91	329.07	6.77	-85.14
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=CC(C(=O)[O-])=C1C	REAL300000457958	1	40	-2.0	-107.76	350.45	7.16	-100.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=CC=C1[N+](=O)[O-]	REAL300000457959	0	36	-2.0	-102.25	340.21	7.08	-95.17
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1	REAL300000457960	0	34	-2.0	-92.79	325.39	6.12	-86.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C(C)=C1C(=O)[O-]	REAL300000457961	1	40	-2.0	-103.32	348.13	7.39	-95.93
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1C(=O)[O-]	REAL300000457962	0	37	-2.0	-102.19	335.13	6.59	-95.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1Cl	REAL300000457963	0	37	-2.0	-101.45	345.42	7.13	-94.32
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1	REAL300000457964	0	37	-2.0	-107.57	338.69	6.69	-100.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1C(=O)[O-]	REAL300000457965	1	40	-2.0	-105.31	347.89	7.18	-98.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1CC(=O)[O-]	REAL300000457966	1	41	-2.0	-105.62	364.12	6.13	-99.49
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCC2=O	REAL300000457967	1	37	-2.0	-92.73	339.92	7.18	-85.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1C(F)(F)F	REAL300000457968	1	37	-2.0	-88.16	343.77	6.81	-81.35
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=CC(C(=O)[O-])=C1Cl	REAL300000457969	1	37	-2.0	-101.18	344.88	6.95	-94.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1C(=O)[O-]	REAL300000457970	0	38	-2.0	-103.22	341.67	6.21	-97.01
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C(C)=C1CC(=O)[O-]	REAL300000457971	1	46	-2.0	-103.00	378.57	8.84	-94.16
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1C(=O)[O-]	REAL300000457972	1	37	-2.0	-96.90	343.52	6.96	-89.94
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C(C(=O)[O-])S1	REAL300000457973	0	43	-2.0	-101.29	363.09	8.13	-93.16
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1C(=O)[O-]	REAL300000457974	0	38	-2.0	-105.22	353.98	6.62	-98.60
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=CC=C1C(=O)[O-]	REAL300000457975	1	37	-2.0	-91.57	329.66	6.54	-85.03
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C([N+](=O)[O-])=C1	REAL300000457976	0	39	-2.0	-95.46	356.92	8.19	-87.27
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCC2=O	REAL300000457977	1	37	-2.0	-102.70	333.61	6.82	-95.88
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=C3CCC(=O)C3=CC=C2)=CC=C1	REAL300000457978	0	36	-2.0	-109.86	337.40	7.85	-102.01
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1F	REAL300000457979	0	34	-2.0	-106.89	317.29	6.02	-100.87
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C1C(=O)[O-]	REAL300000457980	1	37	-2.0	-95.33	334.82	6.57	-88.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCC(=O)C3=CC=C2)=CC2=CC=CC=C21	REAL300000457981	1	40	-2.0	-111.49	354.70	8.11	-103.38
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C1	REAL300000457982	0	33	-2.0	-101.18	309.87	4.12	-97.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCC2=O	REAL300000457983	0	38	-2.0	-95.63	341.86	5.79	-89.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)=C(Cl)O1	REAL300000457984	0	31	-2.0	-91.92	313.76	4.97	-86.95
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C4CCC(=O)C4=CC=C3)C=C2)CC1	REAL300000457985	1	41	-2.0	-98.26	359.78	7.88	-90.38
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C4CCC(=O)C4=CC=C3)C=C2C1	REAL300000457986	1	41	-2.0	-100.39	359.10	7.89	-92.50
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCC3=O)C=C(C(=O)[O-])O1	REAL300000457987	0	37	-2.0	-98.19	335.78	5.99	-92.20
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000457988	0	41	-2.0	-107.15	366.32	6.62	-100.53
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C1CC1	REAL300000457989	0	41	-2.0	-97.30	361.77	6.61	-90.69
CCCN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C1CC1	REAL300000457990	0	41	-2.0	-110.03	361.80	6.59	-103.44
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1C1CC1	REAL300000457991	0	45	-2.0	-116.24	389.94	6.40	-109.84
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C1CC1	REAL300000457992	0	45	-2.0	-96.58	393.25	7.89	-88.69
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000457993	0	44	-2.0	-112.41	381.87	7.23	-105.18
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C1CC1	REAL300000457994	0	41	-2.0	-106.29	374.87	7.16	-99.13
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000457995	0	41	-2.0	-105.57	374.31	6.98	-98.59
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C1CC1	REAL300000457996	0	47	-2.0	-113.78	394.91	7.93	-105.85
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C1CC1	REAL300000457997	0	41	-2.0	-107.88	367.28	6.65	-101.23
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C1CC1	REAL300000457998	0	47	-2.0	-96.06	405.37	8.18	-87.88
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C1CC1	REAL300000457999	0	38	-2.0	-104.65	354.17	5.60	-99.05
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C1CC1	REAL300000458000	0	44	-2.0	-112.22	376.41	7.36	-104.86
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C1CC1	REAL300000458001	0	45	-2.0	-95.25	392.87	6.87	-88.38
CCCN1N=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000458002	0	42	-2.0	-108.32	368.44	5.95	-102.37
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1C1CC1	REAL300000458003	0	45	-2.0	-112.17	386.01	5.42	-106.75
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C1CC1	REAL300000458004	0	41	-2.0	-100.19	370.09	6.25	-93.94
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1C1CC1	REAL300000458005	0	47	-2.0	-113.02	393.25	7.92	-105.10
CCCN1N=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C1CC1	REAL300000458006	0	38	-2.0	-105.50	353.45	5.63	-99.87
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000458007	0	45	-2.0	-115.60	389.08	6.67	-108.93
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C1CC1	REAL300000458008	0	50	-2.0	-113.63	411.89	8.48	-105.15
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1C1CC1	REAL300000458009	0	47	-2.0	-107.73	387.05	8.35	-99.38
CCCN1N=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1C1CC1	REAL300000458010	0	48	-2.0	-115.55	412.23	7.17	-108.38
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C1CC1	REAL300000458011	0	43	-3.0	-185.46	390.21	7.17	-178.29
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C1CC1	REAL300000458012	0	48	-2.0	-116.10	406.04	8.49	-107.61
CCCN1N=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C1CC1	REAL300000458013	0	41	-2.0	-104.46	364.81	5.74	-98.72
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C1CC1	REAL300000458014	0	45	-2.0	-110.09	390.79	5.69	-104.40
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1C1CC1	REAL300000458015	0	48	-2.0	-95.71	412.96	7.58	-88.13
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C1CC1	REAL300000458016	0	44	-2.0	-102.55	381.68	7.39	-95.16
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C1CC1	REAL300000458017	0	45	-2.0	-94.66	399.10	6.94	-87.72
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000458018	0	48	-2.0	-116.53	410.93	7.58	-108.95
CCCN1N=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C1CC1	REAL300000458019	0	41	-2.0	-108.19	370.42	6.49	-101.70
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C1CC1	REAL300000458020	0	41	-2.0	-94.63	374.84	7.16	-87.47
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C1CC1	REAL300000458021	0	41	-2.0	-96.67	366.31	6.64	-90.03
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C1CC1	REAL300000458022	0	38	-2.0	-98.95	354.06	5.72	-93.23
CCCN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C1CC1	REAL300000458023	0	41	-2.0	-100.71	368.20	6.65	-94.06
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C1CC1	REAL300000458024	0	44	-2.0	-109.41	387.55	7.29	-102.12
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C1CC1	REAL300000458025	0	41	-2.0	-96.52	367.27	6.67	-89.85
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C1CC1	REAL300000458026	0	41	-2.0	-94.79	374.28	7.00	-87.79
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1C1CC1	REAL300000458027	0	44	-2.0	-104.28	390.42	7.78	-96.50
CCCN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000458028	0	41	-2.0	-98.99	372.62	6.68	-92.31
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C1CC1	REAL300000458029	0	43	-2.0	-94.71	389.99	7.26	-87.45
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C1CC1	REAL300000458030	0	42	-2.0	-111.14	371.51	4.31	-106.83
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C1CC1	REAL300000458031	0	44	-2.0	-101.26	383.97	7.37	-93.89
CCCN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C1CC1	REAL300000458032	0	44	-2.0	-104.88	371.87	7.23	-97.65
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000458033	0	44	-2.0	-108.84	386.63	7.24	-101.60
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1C1CC1	REAL300000458034	0	44	-2.0	-97.58	377.21	7.38	-90.20
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000458035	0	47	-2.0	-114.26	398.60	7.76	-106.50
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C1CC1	REAL300000458036	0	43	-2.0	-107.75	388.36	7.68	-100.07
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C1CC1	REAL300000458037	0	41	-2.0	-99.32	373.54	6.72	-92.60
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C1CC1	REAL300000458038	0	47	-2.0	-109.03	396.27	7.98	-101.05
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C1CC1	REAL300000458039	0	44	-2.0	-109.40	382.47	7.17	-102.23
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1C1CC1	REAL300000458040	0	44	-2.0	-108.15	393.56	7.73	-100.42
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C1CC1	REAL300000458041	0	44	-2.0	-113.51	386.83	7.28	-106.23
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000458042	0	47	-2.0	-111.67	396.04	7.78	-103.89
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1C1CC1	REAL300000458043	0	48	-2.0	-111.95	412.26	6.72	-105.23
CCCN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1C1CC1	REAL300000458044	0	44	-2.0	-99.14	391.52	7.82	-91.32
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000458045	0	44	-2.0	-107.67	393.02	7.55	-100.12
CCCN1N=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000458046	0	45	-2.0	-109.62	389.81	6.82	-102.80
CCCN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000458047	0	44	-2.0	-103.38	391.66	7.55	-95.83
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C1CC1	REAL300000458048	0	44	-2.0	-97.44	377.80	7.13	-90.31
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1C1CC1	REAL300000458049	0	44	-2.0	-109.78	380.52	7.40	-102.38
CCCN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C1CC1	REAL300000458050	0	43	-2.0	-115.08	383.68	8.38	-106.70
CCCN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C1CC1	REAL300000458051	0	41	-2.0	-112.65	365.44	6.61	-106.04
CCCN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000458052	0	44	-2.0	-101.67	382.96	7.16	-94.51
CCCN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C1CC1	REAL300000458053	0	47	-2.0	-117.79	402.84	8.73	-109.06
CCCN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C1CC1	REAL300000458054	0	40	-2.0	-107.72	358.02	4.72	-103.00
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1C1CC1	REAL300000458055	0	45	-2.0	-101.46	390.00	6.41	-95.05
CCCN1N=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C1CC1	REAL300000458056	0	38	-2.0	-98.34	361.12	5.55	-92.79
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C1CC1	REAL300000458057	0	48	-2.0	-104.26	407.93	8.48	-95.78
CCCN1N=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C1CC1	REAL300000458058	0	48	-2.0	-105.76	407.24	8.48	-97.28
CCCN1N=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1C1CC1	REAL300000458059	0	44	-2.0	-102.93	379.14	6.55	-96.38
CCOC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000458069	1	35	-2.0	-107.60	338.45	5.86	-101.74
CCOC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000458071	1	32	-2.0	-104.47	326.16	4.81	-99.66
CCOC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000458076	1	35	-2.0	-100.62	342.08	5.48	-95.14
CCOC1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000458083	0	38	-2.0	-109.82	360.76	6.30	-103.52
CCOC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000458093	1	32	-2.0	-99.39	325.24	4.93	-94.46
CCOC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000458095	1	38	-2.0	-109.10	358.72	6.49	-102.61
CCOC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000458096	1	35	-2.0	-97.11	338.44	5.87	-91.24
CCOC1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000458099	0	36	-2.0	-106.33	337.04	4.35	-101.98
CCOC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000458105	1	35	-2.0	-99.22	344.71	5.93	-93.29
CCOC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000458107	1	38	-2.0	-108.77	354.50	6.40	-102.37
CCOC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000458108	1	38	-2.0	-114.87	358.02	6.49	-108.38
CCOC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000458114	1	35	-2.0	-114.08	336.60	5.83	-108.25
CCOC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000458116	0	34	-2.0	-108.10	329.19	3.91	-104.19
CCOC1=CC=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000458118	1	32	-2.0	-97.99	333.08	4.77	-93.22
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000458122	1	45	-2.0	-88.42	391.41	4.44	-83.98
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000458123	1	38	-2.0	-104.80	339.47	5.88	-98.92
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C)=C1	REAL300000458124	0	46	-2.0	-105.91	394.54	6.94	-98.97
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000458125	1	38	-2.0	-94.68	334.95	5.86	-88.82
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000458126	1	38	-2.0	-107.22	334.93	5.85	-101.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C)=C1	REAL300000458127	0	42	-2.0	-112.82	363.07	5.65	-107.17
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000458128	1	42	-2.0	-94.41	366.40	7.15	-87.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000458129	1	41	-2.0	-108.48	351.06	6.41	-102.07
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000458130	0	38	-2.0	-102.79	348.00	6.43	-96.36
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000458131	1	38	-2.0	-103.21	347.44	6.25	-96.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)=C1C	REAL300000458132	1	44	-2.0	-110.21	367.60	7.21	-103.00
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000458133	0	38	-2.0	-104.67	340.42	5.92	-98.75
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000458134	1	44	-2.0	-93.67	378.54	7.44	-86.23
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000458135	0	35	-2.0	-101.64	328.13	4.87	-96.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C)=C1	REAL300000458136	1	41	-2.0	-108.23	350.38	6.64	-101.59
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000458137	1	42	-2.0	-93.07	366.04	6.14	-86.93
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000458138	0	39	-2.0	-105.69	341.57	5.21	-100.48
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)=C1	REAL300000458140	0	38	-2.0	-97.62	344.04	5.54	-92.08
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000458141	1	44	-2.0	-109.66	365.64	7.19	-102.47
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000458142	0	35	-2.0	-103.09	326.59	4.90	-98.19
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000458143	1	46	-2.0	-107.62	393.25	5.66	-101.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000458144	1	42	-2.0	-113.09	362.22	5.92	-107.17
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000458145	1	48	-2.0	-112.25	390.20	8.48	-103.77
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000458146	1	47	-2.0	-110.60	388.84	7.86	-102.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C)=C1	REAL300000458147	1	44	-2.0	-106.56	365.10	7.57	-98.99
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C)=C1	REAL300000458148	0	45	-2.0	-113.53	385.36	6.42	-107.11
CC(C)OC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000458149	0	41	-2.0	-110.19	369.98	6.28	-103.91
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000458149	1	40	-3.0	-182.37	363.34	6.42	-175.95
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000458150	1	45	-2.0	-112.36	379.18	7.75	-104.61
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000458151	0	38	-2.0	-101.05	337.94	4.99	-96.06
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000458152	1	44	-2.0	-112.09	377.10	5.64	-106.45
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)=C1	REAL300000458153	0	42	-2.0	-108.38	363.91	4.94	-103.44
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000458154	1	46	-2.0	-94.39	388.59	6.45	-87.94
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000458155	0	38	-2.0	-99.47	352.52	6.45	-93.02
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000458156	1	42	-2.0	-91.58	382.06	6.68	-84.90
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)=CC=C1OCC(=O)[O-]	REAL300000458157	1	45	-2.0	-93.61	386.08	6.83	-86.78
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C)=C1	REAL300000458158	1	41	-2.0	-98.72	355.67	6.67	-92.05
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000458159	1	42	-2.0	-92.49	372.26	6.20	-86.29
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000458160	1	45	-2.0	-113.74	384.09	6.83	-106.91
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000458161	0	38	-2.0	-104.45	343.53	5.74	-98.71
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000458162	0	38	-2.0	-92.26	348.00	6.42	-85.84
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000458163	1	38	-2.0	-94.14	339.45	5.89	-88.25
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000458164	0	35	-2.0	-96.41	327.20	4.98	-91.43
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000458165	1	38	-2.0	-98.23	341.37	5.92	-92.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)=C1F	REAL300000458166	0	41	-2.0	-106.00	360.69	6.56	-99.44
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000458167	0	42	-2.0	-96.90	375.24	6.47	-90.43
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000458168	0	38	-2.0	-94.15	340.39	5.92	-88.23
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000458169	1	38	-2.0	-92.24	347.42	6.26	-85.98
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C)=C1	REAL300000458170	1	41	-2.0	-100.27	364.37	7.06	-93.21
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000458171	1	46	-2.0	-91.21	398.70	7.28	-83.93
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000458172	1	38	-2.0	-96.11	345.76	5.96	-90.15
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000458173	0	40	-2.0	-92.27	363.16	6.52	-85.75
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000458174	0	39	-2.0	-107.07	344.65	3.57	-103.50
CC(C)OC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000458174	1	39	-2.0	-105.57	344.09	4.35	-101.22
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000458175	1	41	-2.0	-98.38	357.11	6.63	-91.75
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000458176	1	38	-2.0	-97.76	355.64	6.38	-91.38
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C)=C1	REAL300000458177	1	41	-2.0	-103.55	345.52	6.53	-97.02
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000458178	1	41	-2.0	-106.04	359.76	6.50	-99.54
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C)=C1	REAL300000458179	1	41	-2.0	-94.78	350.34	6.63	-88.15
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)=CC(C(=O)[O-])=C1C	REAL300000458180	1	44	-2.0	-112.04	371.86	7.04	-105.00
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000458181	0	40	-2.0	-105.53	361.62	6.96	-98.57
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000458182	0	38	-2.0	-96.18	346.71	5.98	-90.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C(C)=C1C(=O)[O-]	REAL300000458183	1	44	-2.0	-107.83	369.13	7.25	-100.58
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000458184	0	41	-2.0	-105.80	356.04	6.45	-99.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)=C1Cl	REAL300000458185	0	41	-2.0	-104.65	366.69	6.99	-97.66
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)=C1	REAL300000458186	0	41	-2.0	-112.22	359.98	6.55	-105.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000458187	1	44	-2.0	-109.28	369.67	7.08	-102.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C=C1CC(=O)[O-]	REAL300000458188	1	45	-2.0	-109.02	385.40	5.99	-103.03
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C)=C1	REAL300000458189	1	41	-2.0	-96.71	361.89	7.02	-89.69
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000458190	1	41	-2.0	-105.04	366.16	6.81	-98.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000458191	0	42	-2.0	-106.99	363.07	6.07	-100.92
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000458193	1	41	-2.0	-101.74	368.96	6.94	-94.80
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000458194	0	47	-2.0	-103.63	385.88	8.04	-95.59
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000458195	0	42	-2.0	-108.38	375.25	6.48	-101.90
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000458196	1	41	-2.0	-94.89	351.06	6.42	-88.47
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000458197	0	43	-2.0	-100.04	378.20	8.05	-91.99
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C)=C1	REAL300000458198	1	41	-2.0	-105.47	354.90	6.67	-98.80
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000458199	0	40	-2.0	-114.53	358.69	7.71	-106.82
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000458200	0	38	-2.0	-111.69	338.54	5.88	-105.81
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000458201	1	41	-2.0	-99.99	360.33	6.54	-93.45
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000458202	1	44	-2.0	-115.67	375.90	7.97	-107.70
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000458203	0	37	-2.0	-104.39	331.91	3.91	-100.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C)=C1	REAL300000458204	0	42	-2.0	-99.06	363.13	5.66	-93.40
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000458205	0	35	-2.0	-94.81	335.07	4.83	-89.98
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000458206	1	45	-2.0	-101.43	381.07	7.74	-93.69
CC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000458207	1	45	-2.0	-104.97	380.36	7.73	-97.24
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000458208	0	41	-2.0	-100.73	357.06	5.85	-94.88
CC(C)(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C#N	REAL300000458211	1	42	-2.0	-101.33	366.29	6.56	-94.77
CC(C)(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C#N	REAL300000458213	0	42	-2.0	-97.98	371.77	6.62	-91.36
CC(C)(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C#N	REAL300000458214	0	39	-2.0	-96.02	359.47	5.57	-90.45
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)(C)C)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000458216	1	43	-2.0	-100.01	372.93	5.90	-94.11
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(C)(C)C)C(C#N)=C2)=C1	REAL300000458217	0	42	-2.0	-92.38	375.38	6.25	-86.13
CC(C)(C)OC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C#N	REAL300000458218	1	39	-2.0	-97.35	357.93	5.59	-91.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)(C)C)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000458219	0	42	-2.0	-95.81	369.29	5.69	-90.12
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)(C)C)C(C#N)=C2)C=C(C(=O)[O-])S1	REAL300000458220	1	42	-2.0	-98.76	374.87	6.45	-92.31
CC(C)(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C#N	REAL300000458221	1	42	-2.0	-89.70	370.80	6.60	-83.10
CC(C)(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C#N	REAL300000458222	0	39	-2.0	-91.26	358.56	5.69	-85.57
CC(C)(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C#N	REAL300000458223	1	42	-2.0	-92.62	372.68	6.63	-85.99
CC(C)(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C#N	REAL300000458224	0	42	-2.0	-89.10	371.75	6.63	-82.47
CC(C)(C)OC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C#N	REAL300000458225	0	43	-2.0	-101.65	365.03	5.15	-96.50
CC(C)(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C#N	REAL300000458225	1	43	-2.0	-100.80	376.00	4.27	-96.53
CC(C)(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C#N	REAL300000458226	1	45	-2.0	-92.39	388.44	7.34	-85.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)(C)C)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000458229	1	46	-2.0	-101.27	394.30	6.77	-94.50
CC(C)(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C#N	REAL300000458231	0	42	-2.0	-105.66	369.94	6.59	-99.07
CC(C)(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C#N	REAL300000458232	0	41	-2.0	-97.89	363.26	4.61	-93.28
CC(C)(C)OC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C#N	REAL300000458233	0	39	-2.0	-89.89	366.43	5.54	-84.35
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)(C)C)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000458234	0	45	-2.0	-95.66	388.41	6.54	-89.12
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000458235	0	30	-2.0	-97.26	306.70	4.58	-92.68
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000458236	0	30	-2.0	-87.67	302.15	4.57	-83.10
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000458237	0	30	-2.0	-99.41	302.16	4.55	-94.86
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000458238	0	34	-2.0	-87.71	333.62	5.86	-81.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CN=C2C)C=C1C(=O)[O-]	REAL300000458239	0	33	-2.0	-100.36	318.18	5.09	-95.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Br)=CN=C2C)=C1C	REAL300000458240	0	36	-2.0	-102.73	334.55	5.87	-96.86
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000458241	0	30	-2.0	-96.81	307.63	4.63	-92.18
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000458242	0	36	-2.0	-86.89	345.73	6.14	-80.75
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000458243	0	27	-2.0	-94.15	295.35	3.59	-90.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Br)=CN=C1C	REAL300000458244	0	33	-2.0	-100.96	317.59	5.35	-95.61
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000458245	0	31	-2.0	-97.89	308.81	3.91	-93.98
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Br)=CN=C2C)=C1	REAL300000458246	0	30	-2.0	-90.17	311.27	4.24	-85.93
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(Br)=CN=C2C)C=C1C(=O)[O-]	REAL300000458247	0	36	-2.0	-102.09	333.61	5.88	-96.21
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000458248	0	27	-2.0	-95.52	293.81	3.58	-91.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Br)=CN=C1C	REAL300000458249	0	36	-2.0	-99.64	331.75	6.27	-93.37
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CN=C2C)C=C(C(=O)[O-])O1	REAL300000458250	0	30	-2.0	-94.18	305.16	3.71	-90.47
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CN=C2C)C=C(C(=O)[O-])S1	REAL300000458251	0	30	-2.0	-97.39	311.85	4.45	-92.94
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000458252	0	30	-2.0	-87.35	306.67	4.59	-82.76
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000458253	0	27	-2.0	-89.23	294.42	3.68	-85.55
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000458254	0	30	-2.0	-90.60	308.56	4.62	-85.98
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000458255	0	30	-2.0	-86.76	307.62	4.63	-82.13
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000458256	0	31	-2.0	-100.00	311.87	2.27	-97.73
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000458257	0	33	-2.0	-91.22	324.33	5.34	-85.88
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000458258	0	33	-2.0	-95.37	312.20	5.19	-90.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CN=C1C	REAL300000458259	0	33	-2.0	-88.08	317.57	5.33	-82.75
CC1=CC(S(=O)(=O)[N-]C2=CC(Br)=CN=C2C)=CC(C(=O)[O-])=C1C	REAL300000458260	0	36	-2.0	-102.23	335.04	5.62	-96.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CN=C2C)C(C)=C1C(=O)[O-]	REAL300000458261	0	36	-2.0	-99.77	335.69	5.98	-93.79
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CN=C2C)C=C1C(=O)[O-]	REAL300000458262	0	36	-2.0	-101.04	336.48	5.74	-95.30
CCN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CN=C2C)C=C1C(=O)[O-]	REAL300000458263	0	34	-2.0	-99.01	330.18	4.78	-94.23
CC1=CC(S(=O)(=O)[N-]C2=CC(Br)=CN=C2C)=CC=C1C(=O)[O-]	REAL300000458264	0	33	-2.0	-87.68	318.17	5.10	-82.58
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000458265	0	30	-2.0	-102.81	305.79	4.58	-98.23
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000458266	0	29	-2.0	-97.19	298.38	2.68	-94.51
CC1=NC=C(Br)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000458267	0	27	-2.0	-88.13	302.26	3.54	-84.59
CCC1=C(S(=O)(=O)[N-]C2=CC(Br)=CN=C2C)C=C(C(=O)[O-])O1	REAL300000458268	0	33	-2.0	-94.12	324.27	4.56	-89.56
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000458282	1	31	-2.0	-102.60	313.90	5.80	-96.80
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(Cl)C=C(C)C(C)=C2)=C1	REAL300000458287	1	34	-2.0	-98.72	329.85	6.46	-92.26
CC1=CC(Cl)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000458296	0	37	-2.0	-106.86	348.52	7.27	-99.59
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000458310	1	31	-2.0	-97.53	312.98	5.91	-91.62
CC1=CC(Cl)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C	REAL300000458319	0	35	-2.0	-105.55	327.98	5.33	-100.22
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000458327	1	34	-2.0	-97.11	332.45	6.91	-90.20
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C	REAL300000458340	1	39	-2.0	-99.76	363.97	8.98	-90.78
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C	REAL300000458342	1	36	-2.0	-115.50	344.47	8.65	-106.85
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000458346	1	33	-2.0	-106.06	316.93	4.90	-101.16
CC1=CC(Cl)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000458348	1	31	-2.0	-96.03	320.82	5.75	-90.28
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000458352	1	40	-2.0	-91.82	374.36	2.19	-89.63
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000458353	1	33	-2.0	-106.96	322.42	3.63	-103.33
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000458354	0	41	-2.0	-109.92	377.50	4.68	-105.24
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000458355	1	33	-2.0	-97.58	317.88	3.61	-93.97
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000458356	1	33	-2.0	-109.98	317.88	3.60	-106.38
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000458357	0	37	-2.0	-116.47	346.02	3.39	-113.08
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000458358	1	37	-2.0	-97.63	349.35	4.89	-92.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1C(=O)[O-]	REAL300000458359	1	36	-2.0	-110.44	333.90	4.13	-106.31
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000458360	0	33	-2.0	-106.55	330.95	4.16	-102.39
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000458361	1	33	-2.0	-105.28	330.40	3.99	-101.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=C1C	REAL300000458362	1	39	-2.0	-114.45	350.56	4.94	-109.51
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000458363	0	33	-2.0	-107.86	323.36	3.65	-104.21
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000458364	1	39	-2.0	-97.10	361.47	5.18	-91.92
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000458365	0	30	-2.0	-104.19	311.06	2.61	-101.58
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000458366	1	36	-2.0	-112.37	333.32	4.38	-107.99
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1C(=O)[O-]	REAL300000458368	0	34	-2.0	-108.35	324.53	2.94	-105.41
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=C1	REAL300000458370	0	33	-2.0	-100.09	326.99	3.27	-96.82
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000458372	0	30	-2.0	-105.70	309.53	2.63	-103.07
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000458373	1	41	-2.0	-109.63	376.19	3.41	-106.22
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000458375	1	43	-2.0	-116.05	373.13	6.23	-109.82
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000458376	1	42	-2.0	-114.60	371.79	5.60	-109.00
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000458377	1	39	-2.0	-111.22	348.05	5.32	-105.90
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000458378	0	40	-2.0	-116.63	368.31	4.16	-112.47
CS(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000458379	0	36	-2.0	-113.75	353.00	4.02	-109.73
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000458379	1	35	-3.0	-182.44	346.29	4.16	-178.28
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000458380	1	40	-2.0	-128.61	362.14	5.50	-123.11
CC1=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000458381	0	33	-2.0	-104.92	320.92	2.74	-102.18
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000458382	1	39	-2.0	-114.55	360.06	3.37	-111.18
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=C1	REAL300000458383	0	37	-2.0	-108.88	346.80	2.69	-106.19
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000458384	1	41	-2.0	-97.26	371.52	4.21	-93.05
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000458385	0	33	-2.0	-103.36	335.47	4.19	-99.17
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000458387	1	36	-2.0	-102.70	338.59	4.42	-98.28
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000458388	1	37	-2.0	-95.87	355.19	3.94	-91.93
CC1=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C(C(=O)[O-])S1	REAL300000458390	0	33	-2.0	-108.53	327.57	3.48	-105.05
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000458391	0	33	-2.0	-95.09	330.94	4.16	-90.93
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000458392	1	33	-2.0	-97.13	322.41	3.64	-93.49
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000458393	0	30	-2.0	-98.97	310.15	2.72	-96.25
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000458394	1	33	-2.0	-100.81	324.29	3.66	-97.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=C1F	REAL300000458395	0	36	-2.0	-109.20	343.64	4.29	-104.91
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000458396	0	33	-2.0	-96.56	323.35	3.67	-92.89
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000458397	1	33	-2.0	-95.15	330.38	4.00	-91.15
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000458398	1	36	-2.0	-104.49	347.32	4.79	-99.70
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000458399	1	41	-2.0	-94.63	381.63	5.01	-89.62
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000458400	1	33	-2.0	-98.67	328.70	3.69	-94.98
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000458401	0	35	-2.0	-95.01	346.08	4.26	-90.75
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000458402	0	34	-2.0	-111.64	327.58	1.31	-110.33
CS(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000458402	1	34	-2.0	-111.13	326.69	2.18	-108.95
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000458403	1	36	-2.0	-101.85	340.07	4.37	-97.48
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000458404	1	33	-2.0	-100.07	338.59	4.13	-95.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000458405	1	36	-2.0	-104.63	327.95	4.24	-100.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000458406	1	36	-2.0	-108.22	342.72	4.25	-103.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000458408	1	39	-2.0	-112.27	350.77	4.66	-107.61
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000458409	0	35	-2.0	-108.56	344.43	4.70	-103.86
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000458410	0	33	-2.0	-113.24	329.64	3.73	-109.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1C(=O)[O-]	REAL300000458412	0	36	-2.0	-110.09	343.20	4.29	-105.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=C1Cl	REAL300000458413	0	36	-2.0	-108.22	349.64	4.74	-103.48
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=C1	REAL300000458414	0	36	-2.0	-112.60	342.92	4.29	-108.31
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1C(=O)[O-]	REAL300000458415	1	39	-2.0	-111.71	351.82	4.79	-106.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1CC(=O)[O-]	REAL300000458416	1	40	-2.0	-112.05	368.34	3.73	-108.32
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000458417	1	36	-2.0	-98.28	344.14	4.77	-93.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000458418	1	36	-2.0	-106.93	349.10	4.57	-102.36
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1C(=O)[O-]	REAL300000458419	0	37	-2.0	-109.05	346.02	3.81	-105.24
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1C(=O)[O-]	REAL300000458421	1	36	-2.0	-103.73	351.62	4.67	-99.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)=CC=C1C(=O)[O-]	REAL300000458422	1	36	-2.0	-97.66	333.89	4.14	-93.52
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000458423	0	38	-2.0	-119.24	361.15	5.78	-113.46
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000458424	1	36	-2.0	-110.13	337.42	4.44	-105.69
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000458425	0	35	-2.0	-114.86	341.61	5.46	-109.40
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000458426	0	33	-2.0	-111.95	321.54	3.63	-108.32
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C1C(=O)[O-]	REAL300000458427	1	36	-2.0	-101.93	342.82	4.28	-97.65
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000458428	1	39	-2.0	-117.19	358.93	5.72	-111.47
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000458429	0	32	-2.0	-108.34	314.87	1.65	-106.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(S(C)=O)=C1	REAL300000458430	0	37	-2.0	-101.85	346.08	3.41	-98.44
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000458431	0	30	-2.0	-98.14	318.03	2.57	-95.57
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000458432	1	40	-2.0	-104.83	364.01	5.48	-99.35
CS(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000458433	1	40	-2.0	-106.11	363.32	5.48	-100.63
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(S(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000458434	0	36	-2.0	-116.86	340.02	3.58	-113.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CC(=O)NC(=O)C3)=CC=C2)=CC=C1	REAL300000458436	1	41	-2.0	-111.06	366.13	4.08	-106.98
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C3CC(=O)NC(=O)C3)=CC=C2)=C1	REAL300000458437	0	38	-2.0	-105.57	359.32	3.09	-102.48
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CC(=O)NC(=O)C3)=C2)C=C1C(=O)[O-]	REAL300000458438	1	42	-2.0	-109.54	372.78	3.43	-106.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CC(=O)NC(=O)C3)=CC=C2)=CS1	REAL300000458439	0	38	-2.0	-106.87	357.78	3.11	-103.76
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CC(=O)NC(=O)C3)=C2)C=C(C(=O)[O-])O1	REAL300000458440	0	41	-2.0	-105.31	369.14	3.23	-102.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3CC(=O)NC(=O)C3)=CC=C2)S1	REAL300000458441	0	38	-2.0	-100.49	358.40	3.21	-97.28
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CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C12	REAL300000458449	0	37	-2.0	-103.22	350.05	6.16	-97.06
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CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=C(C)C(C)=CC(C(=O)[O-])=C3)=CC=C12	REAL300000458451	1	43	-2.0	-110.19	369.37	6.90	-103.29
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C12	REAL300000458452	0	37	-2.0	-104.76	342.46	5.65	-99.11
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C12	REAL300000458453	1	43	-2.0	-94.62	380.56	7.18	-87.44
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C12	REAL300000458454	0	34	-2.0	-102.18	330.16	4.61	-97.57
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C12	REAL300000458455	1	40	-2.0	-108.38	352.41	6.37	-102.01
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=CC=C12	REAL300000458456	1	41	-2.0	-93.93	368.06	5.87	-88.06
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000458457	0	38	-2.0	-106.34	343.63	4.94	-101.40
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(C)=NN(C)C3=C2)=C1	REAL300000458459	0	37	-2.0	-98.39	346.09	5.27	-93.12
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=C(C)C=C(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000458460	1	43	-2.0	-109.84	368.05	6.94	-102.90
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C12	REAL300000458461	0	34	-2.0	-103.60	328.63	4.63	-98.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000458462	1	41	-2.0	-113.73	364.27	5.66	-108.07
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)=CC=C12	REAL300000458463	1	47	-2.0	-112.12	392.24	8.20	-103.92
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)=CC=C12	REAL300000458464	1	46	-2.0	-110.45	390.88	7.60	-102.85
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C)=NN(C)C2=C1	REAL300000458465	1	43	-2.0	-106.71	367.13	7.32	-99.39
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C)=NN(C)C2=C1	REAL300000458466	0	44	-2.0	-113.74	387.41	6.15	-107.59
CC1=NN(C)C2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C12	REAL300000458467	0	40	-2.0	-111.24	367.89	6.15	-105.09
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C12	REAL300000458467	1	39	-3.0	-182.75	365.39	6.15	-176.60
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C12	REAL300000458468	1	44	-2.0	-112.46	381.22	7.48	-104.98
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C12	REAL300000458469	0	37	-2.0	-101.66	339.99	4.73	-96.93
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC=C12	REAL300000458470	0	41	-2.0	-109.10	365.97	4.67	-104.43
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CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(C)=C3)=CC=C12	REAL300000458472	1	44	-2.0	-94.39	388.14	6.58	-87.81
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=CC=C12	REAL300000458473	1	40	-2.0	-99.04	357.69	6.40	-92.64
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=CC=C12	REAL300000458474	1	41	-2.0	-93.54	374.27	5.93	-87.61
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000458475	1	44	-2.0	-114.31	386.11	6.56	-107.75
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C12	REAL300000458476	0	37	-2.0	-104.74	346.67	5.48	-99.26
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C12	REAL300000458477	0	37	-2.0	-93.30	350.03	6.15	-87.15
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C12	REAL300000458478	1	37	-2.0	-95.20	341.52	5.63	-89.57
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C12	REAL300000458479	0	34	-2.0	-97.24	329.25	4.72	-92.52
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C12	REAL300000458480	1	37	-2.0	-98.80	343.38	5.65	-93.15
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=C(F)C(C)=CC(C(=O)[O-])=C3)=CC=C12	REAL300000458481	0	40	-2.0	-106.14	362.74	6.29	-99.85
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C12	REAL300000458482	0	37	-2.0	-95.13	342.44	5.66	-89.47
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C12	REAL300000458483	1	37	-2.0	-93.22	349.49	5.99	-87.23
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)=CC=C12	REAL300000458484	1	40	-2.0	-100.70	366.43	6.80	-93.90
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C12	REAL300000458485	1	37	-2.0	-97.03	347.80	5.68	-91.35
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC=C12	REAL300000458486	0	39	-2.0	-93.01	365.17	6.26	-86.75
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C12	REAL300000458487	0	38	-2.0	-107.17	346.69	3.30	-103.87
CC1=NN(C)C2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C12	REAL300000458487	1	38	-2.0	-106.63	345.92	4.10	-102.53
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C12	REAL300000458488	1	40	-2.0	-100.11	359.16	6.37	-93.74
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=CC=C12	REAL300000458489	1	37	-2.0	-98.47	357.68	6.12	-92.35
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C12	REAL300000458490	1	40	-2.0	-104.46	347.05	6.23	-98.23
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C(C)=C3)=CC=C12	REAL300000458491	1	40	-2.0	-106.76	361.81	6.24	-100.52
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=CC=C12	REAL300000458492	1	40	-2.0	-95.79	352.39	6.36	-89.43
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C(C)=C3)=CC=C12	REAL300000458493	1	43	-2.0	-112.14	374.48	6.79	-105.35
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=CC=C12	REAL300000458494	0	39	-2.0	-106.37	363.54	6.68	-99.69
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C12	REAL300000458495	0	37	-2.0	-96.56	348.74	5.71	-90.85
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=CC=C12	REAL300000458496	1	43	-2.0	-108.60	371.46	6.99	-101.61
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=C(F)C=C(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000458497	0	40	-2.0	-107.06	362.30	6.28	-100.78
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=C(Cl)C(C)=CC(C(=O)[O-])=C3)=CC=C12	REAL300000458498	0	40	-2.0	-104.93	368.74	6.73	-98.20
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC=C12	REAL300000458499	0	40	-2.0	-113.06	362.01	6.28	-106.78
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000458500	1	43	-2.0	-109.65	370.95	6.77	-102.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NN(C)C3=C2)C=C1CC(=O)[O-]	REAL300000458501	1	44	-2.0	-109.14	387.44	5.72	-103.42
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)=CC=C12	REAL300000458502	1	40	-2.0	-97.65	363.24	6.77	-90.88
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C(C)=C3)=CC=C12	REAL300000458503	1	40	-2.0	-105.49	368.20	6.55	-98.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000458504	0	41	-2.0	-107.59	365.01	5.81	-101.78
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000458505	1	40	-2.0	-102.38	370.72	6.66	-95.72
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C12	REAL300000458506	1	40	-2.0	-95.73	352.99	6.13	-89.60
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=CC=C12	REAL300000458507	1	40	-2.0	-105.79	356.93	6.41	-99.38
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=CC=C12	REAL300000458508	0	39	-2.0	-115.54	360.73	7.45	-108.09
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C12	REAL300000458509	0	37	-2.0	-112.35	340.60	5.61	-106.74
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000458510	1	40	-2.0	-100.56	361.92	6.27	-94.29
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C12	REAL300000458511	1	43	-2.0	-116.00	378.03	7.72	-108.28
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C12	REAL300000458512	0	36	-2.0	-104.52	333.97	3.64	-100.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C)=NN(C)C2=C1	REAL300000458513	0	41	-2.0	-99.77	365.18	5.39	-94.38
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C12	REAL300000458514	0	34	-2.0	-95.64	337.12	4.56	-91.08
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C12	REAL300000458515	1	44	-2.0	-101.93	383.11	7.48	-94.45
CC1=NN(C)C2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C12	REAL300000458516	1	44	-2.0	-105.85	382.42	7.48	-98.37
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NN(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000458517	0	40	-2.0	-101.45	359.11	5.58	-95.87
O=C([O-])C1=CC(S(=O)(=O)N2CC(CO)C3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000458545	0	39	-2.0	-110.44	351.46	4.87	-105.57
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC(CO)C3=CC=CC=C32)=C1	REAL300000458570	0	37	-2.0	-109.00	321.48	2.98	-106.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)(F)F)C=C1	REAL300000458605	0	32	-2.0	-90.35	328.14	5.37	-84.98
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)(F)F)=C1	REAL300000458606	0	32	-2.0	-102.35	328.14	5.36	-96.99
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)(F)F)C=C1C(=O)[O-]	REAL300000458607	0	33	-2.0	-100.79	334.79	4.71	-96.08
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)(F)F)C=C(C(=O)[O-])O1	REAL300000458608	0	32	-2.0	-96.45	331.15	4.50	-91.95
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CC1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000458612	1	37	-2.0	-103.39	337.35	4.74	-98.65
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)C(C)=CC2=C1	REAL300000458613	0	41	-2.0	-108.92	365.04	4.54	-104.38
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C2NC1=O	REAL300000458614	1	41	-2.0	-91.42	368.37	6.02	-85.40
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C2NC1=O	REAL300000458616	0	37	-2.0	-99.48	350.42	5.31	-94.17
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000458617	1	37	-2.0	-99.42	349.43	5.12	-94.30
CC1=CC2=CC([N-]S(=O)(=O)C3=C(C)C(C)=CC(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000458618	1	43	-2.0	-106.91	369.60	6.08	-100.83
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2NC1=O	REAL300000458619	0	37	-2.0	-100.77	342.82	4.80	-95.97
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C2NC1=O	REAL300000458620	1	43	-2.0	-90.60	380.48	6.32	-84.28
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2NC1=O	REAL300000458621	0	34	-2.0	-98.08	330.53	3.76	-94.32
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)C(C)=CC2=C1	REAL300000458622	1	40	-2.0	-104.89	352.35	5.52	-99.37
CC1=CC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000458624	1	38	-2.0	-101.92	343.56	4.07	-97.85
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(C)=CC3=C2)=C1	REAL300000458626	0	37	-2.0	-94.30	346.02	4.41	-89.89
CC1=CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000458628	0	34	-2.0	-99.30	328.57	3.76	-95.54
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)C(C)=CC2=C1	REAL300000458630	1	43	-2.0	-103.43	367.47	6.47	-96.96
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C2NC1=O	REAL300000458631	1	44	-2.0	-108.72	381.18	6.63	-102.09
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(C)=CC3=C2)C=C(C(=O)[O-])O1	REAL300000458632	0	37	-2.0	-98.26	340.35	3.89	-94.37
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(C)=CC3=C2)=C1	REAL300000458633	0	41	-2.0	-104.33	365.90	3.83	-100.50
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=CC=C2NC1=O	REAL300000458634	1	40	-2.0	-95.76	357.62	5.55	-90.21
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(C)=CC3=C2)C=C(C(=O)[O-])S1	REAL300000458635	1	37	-2.0	-101.46	345.51	4.62	-96.84
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C2NC1=O	REAL300000458636	0	37	-2.0	-89.32	349.97	5.29	-84.03
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2NC1=O	REAL300000458637	1	37	-2.0	-91.44	341.45	4.77	-86.67
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2NC1=O	REAL300000458638	0	34	-2.0	-93.21	329.62	3.87	-89.34
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000458639	1	37	-2.0	-94.60	343.75	4.81	-89.79
CC1=CC2=CC([N-]S(=O)(=O)C3=C(F)C(C)=CC(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000458640	0	40	-2.0	-102.02	362.66	5.42	-96.60
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2NC1=O	REAL300000458641	0	37	-2.0	-90.86	342.38	4.80	-86.06
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C2NC1=O	REAL300000458642	1	37	-2.0	-89.36	349.42	5.13	-84.23
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000458643	1	37	-2.0	-93.09	347.74	4.82	-88.27
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2NC1=O	REAL300000458644	0	38	-2.0	-104.00	347.06	2.44	-101.56
CC1=CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2NC1=O	REAL300000458644	1	38	-2.0	-102.70	336.08	3.33	-99.37
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2NC1=O	REAL300000458645	1	40	-2.0	-95.01	359.08	5.51	-89.50
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C2NC1=O	REAL300000458646	1	40	-2.0	-99.51	346.46	5.40	-94.11
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C2NC1=O	REAL300000458650	0	37	-2.0	-92.61	348.67	4.86	-87.75
CC1=CC2=CC([N-]S(=O)(=O)C3=C(F)C=C(C)C(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000458652	0	40	-2.0	-101.70	358.39	5.33	-96.37
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(C)=CC3=C2)=C1	REAL300000458653	0	40	-2.0	-107.57	361.95	5.42	-102.15
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(C)=CC3=C2)C=C1C(=O)[O-]	REAL300000458655	1	41	-2.0	-103.19	364.94	4.94	-98.25
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2NC1=O	REAL300000458658	0	37	-2.0	-106.86	340.53	4.75	-102.11
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000458659	1	40	-2.0	-96.24	361.86	5.41	-90.83
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2NC1=O	REAL300000458660	0	36	-2.0	-100.99	333.14	2.86	-98.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)C(C)=CC2=C1	REAL300000458661	0	41	-2.0	-95.69	365.12	4.53	-91.16
CC1=CC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000458662	0	34	-2.0	-92.11	337.50	3.72	-88.39
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C2NC1=O	REAL300000458663	1	44	-2.0	-98.12	383.04	6.62	-91.50
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C2NC1=O	REAL300000458664	1	44	-2.0	-100.43	382.35	6.62	-93.81
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(C)=CC3=C2)C=C(C(=O)[O-])O1	REAL300000458665	0	40	-2.0	-98.20	359.48	4.74	-93.46
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1F	REAL300000458668	1	36	-2.0	-97.99	344.20	6.30	-91.69
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1F	REAL300000458671	1	32	-2.0	-103.93	312.72	5.01	-98.92
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C1	REAL300000458674	1	28	-2.0	-94.77	297.65	5.77	-89.00
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C1	REAL300000458677	1	28	-2.0	-96.23	290.04	5.27	-90.96
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C1	REAL300000458679	0	25	-2.0	-94.06	277.77	4.22	-89.84
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000458682	1	29	-2.0	-101.07	286.80	4.66	-96.41
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C1	REAL300000458684	0	28	-2.0	-90.44	293.69	4.90	-85.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=CS1	REAL300000458686	1	25	-2.0	-98.45	271.80	4.34	-94.11
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1F	REAL300000458692	1	35	-2.0	-105.02	335.01	5.78	-99.24
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=CC(F)=C2F)=C1	REAL300000458693	0	31	-2.0	-104.40	313.11	5.70	-98.70
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)C=C(C(=O)[O-])O1	REAL300000458695	1	28	-2.0	-93.54	287.58	4.35	-89.19
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C1	REAL300000458697	1	32	-2.0	-100.81	313.56	4.30	-96.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C(Cl)C=C1F	REAL300000458699	1	28	-2.0	-91.88	302.16	5.80	-86.08
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)C=C(C(=O)[O-])S1	REAL300000458705	1	28	-2.0	-96.61	293.20	5.10	-91.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)C(Cl)=C1	REAL300000458706	1	28	-2.0	-85.52	297.63	5.77	-79.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)S1	REAL300000458708	0	25	-2.0	-89.31	276.83	4.34	-84.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C1F	REAL300000458710	1	31	-2.0	-97.31	310.32	5.90	-91.41
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C(Cl)C=C1C(=O)[O-]	REAL300000458711	1	32	-2.0	-90.20	324.88	5.83	-84.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)C(F)=C1	REAL300000458712	1	28	-2.0	-87.18	290.04	5.28	-81.90
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C1	REAL300000458717	1	30	-2.0	-87.89	308.34	5.97	-81.92
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=CC(F)=C2F)=C1	REAL300000458718	0	29	-2.0	-99.92	292.55	3.76	-96.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=CC=C1[N+](=O)[O-]	REAL300000458725	1	30	-2.0	-101.21	306.73	6.39	-94.82
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C1	REAL300000458726	0	28	-2.0	-88.31	296.31	5.34	-82.97
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000458728	1	31	-2.0	-98.23	309.89	5.91	-92.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C1Cl	REAL300000458729	1	31	-2.0	-96.26	316.36	6.35	-89.91
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C1	REAL300000458730	1	31	-2.0	-104.72	309.59	5.90	-98.82
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000458736	1	32	-2.0	-102.15	308.18	5.53	-96.62
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)C=C(C(=O)[O-])S1	REAL300000458739	1	37	-2.0	-96.58	334.02	7.34	-89.24
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000458740	1	32	-2.0	-100.19	324.90	5.84	-94.35
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)C([N+](=O)[O-])=C1	REAL300000458742	0	33	-2.0	-91.89	327.83	7.39	-84.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C1[N+](=O)[O-]	REAL300000458744	0	30	-2.0	-107.56	308.31	7.06	-100.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C1F	REAL300000458745	1	28	-2.0	-104.29	288.21	5.24	-99.05
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C1	REAL300000458748	0	27	-2.0	-100.42	276.37	3.43	-96.99
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1F	REAL300000458749	1	32	-2.0	-91.60	312.78	5.00	-86.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)=C(Cl)O1	REAL300000458750	0	25	-2.0	-87.68	284.68	4.18	-83.50
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2F)C=C(C(=O)[O-])O1	REAL300000458753	1	31	-2.0	-93.25	306.70	5.20	-88.05
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1	REAL300000458754	0	42	-2.0	-95.78	379.81	4.00	-91.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CC=C1F	REAL300000458755	0	35	-2.0	-112.26	327.88	5.46	-106.80
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCF	REAL300000458756	0	43	-2.0	-112.66	382.97	6.52	-106.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1	REAL300000458757	0	35	-2.0	-102.87	323.33	5.43	-97.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1	REAL300000458758	0	35	-2.0	-115.17	323.35	5.42	-109.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCF	REAL300000458759	0	39	-2.0	-120.18	351.49	5.22	-114.96
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1	REAL300000458760	0	39	-2.0	-102.03	354.80	6.71	-95.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1C(=O)[O-]	REAL300000458761	0	38	-2.0	-117.97	339.37	5.95	-112.02
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1	REAL300000458762	0	35	-2.0	-110.13	336.42	6.01	-104.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CC=C1Cl	REAL300000458763	0	35	-2.0	-110.83	335.85	5.82	-105.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1C	REAL300000458764	0	41	-2.0	-117.04	356.45	6.75	-110.29
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1	REAL300000458765	0	35	-2.0	-112.48	328.82	5.49	-106.99
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1	REAL300000458766	0	41	-2.0	-101.16	366.92	7.00	-94.16
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1	REAL300000458767	0	32	-2.0	-109.41	316.53	4.44	-104.97
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCF	REAL300000458768	0	38	-2.0	-115.11	338.78	6.21	-108.90
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1	REAL300000458769	0	39	-2.0	-100.56	354.42	5.71	-94.85
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1C(=O)[O-]	REAL300000458770	0	36	-2.0	-113.59	330.00	4.76	-108.83
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCF	REAL300000458771	0	39	-2.0	-115.70	347.13	4.26	-111.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1	REAL300000458772	0	35	-2.0	-106.42	332.48	5.11	-101.31
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1C(=O)[O-]	REAL300000458773	0	41	-2.0	-116.46	354.79	6.75	-109.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CS1	REAL300000458774	0	32	-2.0	-110.75	315.00	4.46	-106.29
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CC(C(=O)[O-])=C1OC	REAL300000458775	0	43	-2.0	-115.74	381.67	5.24	-110.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1C(=O)[O-]	REAL300000458776	0	39	-2.0	-120.95	350.64	5.49	-115.46
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1	REAL300000458777	0	45	-2.0	-119.38	378.59	8.05	-111.33
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCF	REAL300000458778	0	44	-2.0	-117.21	377.25	7.44	-109.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCF	REAL300000458779	0	41	-2.0	-112.57	353.47	7.15	-105.42
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCF	REAL300000458780	0	42	-2.0	-121.09	373.78	5.99	-115.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CC(C(=O)[O-])=C1	REAL300000458781	0	37	-3.0	-193.25	351.75	5.99	-187.26
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2OCCF)=CC(C(=O)[O-])=C1	REAL300000458781	1	38	-2.0	-114.05	351.77	5.93	-108.12
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1	REAL300000458782	0	42	-2.0	-119.69	367.59	7.31	-112.38
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C(C(=O)[O-])O1	REAL300000458783	0	35	-2.0	-108.42	326.35	4.56	-103.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CC2=C1OCCO2	REAL300000458784	0	41	-2.0	-120.22	365.51	5.19	-115.03
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1	REAL300000458785	0	39	-2.0	-117.49	352.33	4.51	-112.98
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3OCCF)C=C2C1	REAL300000458786	0	43	-2.0	-100.92	376.26	6.03	-94.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C(Cl)C=C1F	REAL300000458787	0	35	-2.0	-106.54	340.94	6.02	-100.52
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CC=C1OCC(=O)[O-]	REAL300000458788	0	42	-2.0	-101.15	374.51	6.41	-94.74
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCF	REAL300000458789	0	38	-2.0	-105.83	344.06	6.24	-99.59
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1F	REAL300000458790	0	39	-2.0	-100.00	360.64	5.77	-94.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1C(=O)[O-]	REAL300000458791	0	42	-2.0	-123.26	372.48	6.40	-116.86
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C(C(=O)[O-])S1	REAL300000458792	0	35	-2.0	-111.59	331.97	5.32	-106.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C(Cl)=C1	REAL300000458793	0	35	-2.0	-100.16	336.40	6.00	-94.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1F	REAL300000458794	0	35	-2.0	-102.33	327.86	5.47	-96.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)S1	REAL300000458795	0	32	-2.0	-105.04	315.61	4.56	-100.48
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1	REAL300000458796	0	35	-2.0	-107.10	329.75	5.49	-101.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1F	REAL300000458797	0	38	-2.0	-114.02	349.10	6.12	-107.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C(F)=C1	REAL300000458798	0	35	-2.0	-102.69	328.81	5.50	-97.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1Cl	REAL300000458799	0	35	-2.0	-100.44	335.83	5.83	-94.61
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCF	REAL300000458800	0	38	-2.0	-107.48	352.79	6.62	-100.86
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1	REAL300000458801	0	43	-2.0	-98.45	387.08	6.83	-91.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CC(F)=C1F	REAL300000458802	0	35	-2.0	-103.81	334.17	5.52	-98.29
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1	REAL300000458803	0	37	-2.0	-100.08	351.54	6.10	-93.98
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1	REAL300000458804	0	36	-2.0	-113.73	333.06	3.13	-110.60
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1	REAL300000458805	0	38	-2.0	-106.28	345.53	6.19	-100.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CC(Cl)=C1F	REAL300000458806	0	35	-2.0	-105.34	344.05	5.96	-99.38
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCF	REAL300000458807	0	38	-2.0	-112.95	333.39	6.04	-106.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CC(C(=O)[O-])=C1F	REAL300000458808	0	38	-2.0	-115.30	348.18	6.08	-109.22
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCF	REAL300000458809	0	38	-2.0	-102.48	338.76	6.20	-96.28
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CC(C(=O)[O-])=C1C	REAL300000458810	0	41	-2.0	-118.55	356.23	6.48	-112.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CC=C1[N+](=O)[O-]	REAL300000458811	0	37	-2.0	-112.60	349.90	6.51	-106.09
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1	REAL300000458812	0	35	-2.0	-104.25	335.08	5.55	-98.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C(C)=C1C(=O)[O-]	REAL300000458813	0	41	-2.0	-117.45	356.88	6.83	-110.62
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1C(=O)[O-]	REAL300000458814	0	38	-2.0	-113.75	344.83	6.02	-107.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1Cl	REAL300000458815	0	38	-2.0	-112.06	355.13	6.56	-105.50
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1	REAL300000458816	0	38	-2.0	-122.46	348.36	6.12	-116.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1C(=O)[O-]	REAL300000458817	0	41	-2.0	-118.79	357.32	6.60	-112.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1CC(=O)[O-]	REAL300000458818	0	42	-2.0	-118.02	373.81	5.56	-112.46
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCF	REAL300000458819	0	38	-2.0	-105.87	349.61	6.60	-99.27
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CC(C(=O)[O-])=C1Cl	REAL300000458820	0	38	-2.0	-114.24	354.57	6.38	-107.86
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1C(=O)[O-]	REAL300000458821	0	39	-2.0	-114.98	351.37	5.64	-109.34
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C(C)=C1CC(=O)[O-]	REAL300000458822	0	47	-2.0	-117.51	388.50	8.27	-109.24
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1C(=O)[O-]	REAL300000458823	0	38	-2.0	-108.63	353.21	6.39	-102.24
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CC=C1C(=O)[O-]	REAL300000458824	0	38	-2.0	-104.56	343.40	6.07	-98.49
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C([N+](=O)[O-])=C1	REAL300000458825	0	40	-2.0	-107.45	366.60	7.61	-99.84
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCF	REAL300000458826	0	38	-2.0	-112.14	343.30	6.24	-105.90
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1[N+](=O)[O-]	REAL300000458827	0	37	-2.0	-124.57	347.09	7.29	-117.28
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1F	REAL300000458828	0	35	-2.0	-121.54	326.99	5.44	-116.10
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C1C(=O)[O-]	REAL300000458829	0	38	-2.0	-106.96	344.51	6.00	-100.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=CC2=CC=CC=C21	REAL300000458830	0	41	-2.0	-125.41	364.39	7.54	-117.87
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C1	REAL300000458831	0	34	-2.0	-114.40	319.56	3.54	-110.86
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCF	REAL300000458832	0	39	-2.0	-106.99	351.55	5.22	-101.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)=C(Cl)O1	REAL300000458833	0	32	-2.0	-102.75	323.45	4.39	-98.36
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3OCCF)C=C2)CC1	REAL300000458834	0	42	-2.0	-108.80	369.47	7.30	-101.50
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3OCCF)C=C2C1	REAL300000458835	0	42	-2.0	-113.76	367.44	7.28	-106.48
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCF)C=C(C(=O)[O-])O1	REAL300000458836	0	38	-2.0	-107.75	345.46	5.40	-102.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=CC=C1F	REAL300000458837	1	35	-2.0	-108.32	330.90	2.85	-105.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1	REAL300000458838	1	35	-2.0	-98.61	326.35	2.83	-95.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458839	1	35	-2.0	-110.81	326.36	2.82	-107.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(CO)=CC2=C1	REAL300000458840	0	39	-2.0	-116.14	354.51	2.62	-113.52
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1	REAL300000458841	1	39	-2.0	-98.23	357.81	4.12	-94.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1C(=O)[O-]	REAL300000458842	1	38	-2.0	-112.37	342.39	3.36	-109.01
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458843	0	35	-2.0	-106.33	339.43	3.40	-102.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=CC=C1Cl	REAL300000458844	1	35	-2.0	-106.64	338.87	3.22	-103.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1C	REAL300000458845	1	41	-2.0	-113.36	358.76	4.13	-109.23
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458846	0	35	-2.0	-107.95	331.84	2.89	-105.06
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1	REAL300000458847	1	41	-2.0	-97.40	369.93	4.41	-92.99
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458848	0	32	-2.0	-105.08	319.55	1.84	-103.24
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(CO)=CC2=C1	REAL300000458849	1	38	-2.0	-111.57	341.79	3.61	-107.96
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1C(=O)[O-]	REAL300000458851	0	36	-2.0	-109.25	333.00	2.17	-107.08
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458853	0	35	-2.0	-101.46	335.48	2.51	-98.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=CS1	REAL300000458855	0	32	-2.0	-106.52	318.01	1.86	-104.66
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(CO)=CC2=C1	REAL300000458857	1	44	-2.0	-113.76	380.27	4.83	-108.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(CO)=CC2=C1	REAL300000458858	1	41	-2.0	-109.88	356.51	4.54	-105.34
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(CO)=CC2=C1	REAL300000458859	0	42	-2.0	-116.80	376.80	3.39	-113.41
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458860	0	38	-2.0	-112.68	357.46	3.35	-109.33
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458860	1	37	-3.0	-186.09	354.77	3.39	-182.70
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458861	1	42	-2.0	-115.62	370.61	4.72	-110.90
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C(C(=O)[O-])O1	REAL300000458862	0	35	-2.0	-104.59	329.37	1.96	-102.63
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458863	0	39	-2.0	-112.41	355.35	1.92	-110.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C(Cl)C=C1F	REAL300000458864	0	35	-2.0	-103.08	343.96	3.41	-99.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(CO)=CC2=C1	REAL300000458866	1	38	-2.0	-102.14	347.07	3.64	-98.50
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1F	REAL300000458867	1	39	-2.0	-96.36	363.66	3.17	-93.19
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C(C(=O)[O-])S1	REAL300000458869	0	35	-2.0	-107.88	336.06	2.72	-105.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C(Cl)=C1	REAL300000458870	0	35	-2.0	-96.26	339.41	3.38	-92.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1F	REAL300000458871	1	35	-2.0	-98.06	330.89	2.86	-95.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)S1	REAL300000458872	0	32	-2.0	-100.27	318.64	1.95	-98.32
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458873	1	35	-2.0	-101.69	332.77	2.89	-98.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1F	REAL300000458874	0	38	-2.0	-109.33	352.12	3.53	-105.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C(F)=C1	REAL300000458875	0	35	-2.0	-98.05	331.83	2.89	-95.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1Cl	REAL300000458876	1	35	-2.0	-96.10	338.86	3.23	-92.87
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(CO)=CC2=C1	REAL300000458877	1	38	-2.0	-103.86	355.81	4.04	-99.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=CC(F)=C1F	REAL300000458878	1	35	-2.0	-100.31	337.19	2.92	-97.39
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458879	0	37	-2.0	-96.11	354.56	3.49	-92.62
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458880	0	36	-2.0	-110.39	336.08	0.53	-109.86
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458880	1	36	-2.0	-108.78	335.29	1.33	-107.45
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1	REAL300000458881	1	38	-2.0	-101.94	348.53	3.61	-98.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=CC(Cl)=C1F	REAL300000458882	1	35	-2.0	-101.67	347.07	3.35	-98.32
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2OC(CO)=CC2=C1	REAL300000458883	1	38	-2.0	-107.61	336.43	3.46	-104.15
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=CC(C(=O)[O-])=C1F	REAL300000458884	1	38	-2.0	-109.63	351.20	3.47	-106.16
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=CC(C(=O)[O-])=C1C	REAL300000458886	1	41	-2.0	-115.66	363.17	3.99	-111.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=CC=C1[N+](=O)[O-]	REAL300000458887	0	37	-2.0	-109.02	352.92	3.92	-105.10
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458888	0	35	-2.0	-99.64	338.12	2.95	-96.69
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1C(=O)[O-]	REAL300000458890	0	38	-2.0	-110.25	351.68	3.52	-106.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1Cl	REAL300000458891	0	38	-2.0	-108.05	358.12	3.96	-104.09
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458892	0	38	-2.0	-116.31	351.40	3.52	-112.79
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1C(=O)[O-]	REAL300000458893	1	41	-2.0	-112.64	360.30	4.01	-108.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1CC(=O)[O-]	REAL300000458894	1	42	-2.0	-112.68	376.83	2.96	-109.72
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2OC(CO)=CC2=C1	REAL300000458895	1	38	-2.0	-100.74	352.62	4.00	-96.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000458896	1	38	-2.0	-108.40	357.59	3.78	-104.62
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1C(=O)[O-]	REAL300000458897	0	39	-2.0	-110.50	354.38	3.03	-107.47
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1C(=O)[O-]	REAL300000458898	1	38	-2.0	-105.65	360.11	3.89	-101.76
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=CC=C1C(=O)[O-]	REAL300000458899	1	38	-2.0	-98.72	342.37	3.37	-95.35
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(CO)=CC2=C1	REAL300000458900	1	38	-2.0	-108.95	346.32	3.65	-105.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1[N+](=O)[O-]	REAL300000458901	0	37	-2.0	-118.85	350.11	4.68	-114.17
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1F	REAL300000458902	0	35	-2.0	-115.58	330.03	2.86	-112.72
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C1C(=O)[O-]	REAL300000458903	1	38	-2.0	-103.81	351.30	3.50	-100.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=CC2=CC=CC=C21	REAL300000458904	1	41	-2.0	-119.48	367.41	4.94	-114.54
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C1	REAL300000458905	0	34	-2.0	-108.50	322.58	0.95	-107.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OC(CO)=CC2=C1	REAL300000458906	0	39	-2.0	-102.80	354.56	2.63	-100.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)=C(Cl)O1	REAL300000458907	0	32	-2.0	-98.52	326.51	1.81	-96.71
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4OC(CO)=CC4=C3)C=C2)CC1	REAL300000458908	1	42	-2.0	-104.93	372.49	4.71	-100.22
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4OC(CO)=CC4=C3)C=C2C1	REAL300000458909	1	42	-2.0	-108.74	371.81	4.72	-104.02
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC(CO)=CC3=C2)C=C(C(=O)[O-])O1	REAL300000458910	0	38	-2.0	-104.40	348.49	2.82	-101.58
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1Cl	REAL300000458913	1	37	-2.0	-103.03	345.11	5.87	-97.16
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1Cl	REAL300000458916	1	33	-2.0	-109.88	313.63	4.59	-105.29
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C1	REAL300000458919	1	29	-2.0	-102.09	298.53	5.44	-96.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C(Cl)C=C1Cl	REAL300000458921	1	29	-2.0	-96.31	311.05	5.82	-90.49
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C1	REAL300000458923	1	29	-2.0	-103.61	290.94	4.95	-98.66
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C1	REAL300000458925	0	26	-2.0	-101.50	278.65	3.94	-97.56
CN1C=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300000458928	1	30	-2.0	-103.70	292.14	4.26	-99.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C1	REAL300000458930	0	29	-2.0	-97.40	294.60	4.60	-92.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=CS1	REAL300000458932	1	26	-2.0	-101.28	278.15	3.80	-97.48
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1Cl	REAL300000458938	1	36	-2.0	-109.54	335.91	5.34	-104.20
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C(O)C=CC=C2Cl)=C1	REAL300000458939	0	32	-2.0	-107.44	320.71	4.75	-102.69
CC1=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)C=C(C(=O)[O-])O1	REAL300000458941	1	29	-2.0	-101.30	289.51	3.89	-97.41
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C1	REAL300000458943	1	33	-2.0	-106.23	314.43	3.87	-102.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C(Cl)C=C1F	REAL300000458946	1	29	-2.0	-99.42	304.09	5.32	-94.10
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C1	REAL300000458954	1	29	-2.0	-96.17	313.68	5.89	-90.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)C(Cl)=C1	REAL300000458955	1	29	-2.0	-91.56	298.54	5.44	-86.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)S1	REAL300000458957	0	26	-2.0	-96.14	277.75	4.05	-92.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C1F	REAL300000458959	1	32	-2.0	-103.86	311.25	5.59	-98.27
COC1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C(Cl)C=C1C(=O)[O-]	REAL300000458960	1	33	-2.0	-96.20	325.77	5.50	-90.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)C(F)=C1	REAL300000458961	1	29	-2.0	-93.19	290.93	4.96	-88.23
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C1	REAL300000458966	1	31	-2.0	-92.36	314.68	5.42	-86.94
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(O)C=CC=C2Cl)=C1	REAL300000458967	0	30	-2.0	-108.57	291.98	1.43	-107.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=CC=C1[N+](=O)[O-]	REAL300000458974	1	31	-2.0	-105.62	312.03	5.97	-99.65
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C1	REAL300000458975	1	29	-2.0	-95.52	297.22	5.01	-90.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300000458977	1	32	-2.0	-104.55	310.72	5.63	-98.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C1Cl	REAL300000458978	1	32	-2.0	-102.15	317.23	6.02	-96.13
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C1	REAL300000458979	1	32	-2.0	-110.07	310.50	5.58	-104.49
CCN1C=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300000458985	1	33	-2.0	-105.16	314.54	4.98	-100.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C(F)C(Cl)=C1F	REAL300000458987	1	29	-2.0	-93.66	311.08	5.44	-88.22
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)C=C(C(=O)[O-])S1	REAL300000458989	1	38	-2.0	-101.05	334.89	6.91	-94.14
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300000458990	1	33	-2.0	-108.05	326.82	5.35	-102.70
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)C([N+](=O)[O-])=C1	REAL300000458992	0	34	-2.0	-96.61	327.44	6.88	-89.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C1[N+](=O)[O-]	REAL300000458994	0	31	-2.0	-111.63	309.18	6.60	-105.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C1F	REAL300000458995	1	29	-2.0	-111.27	289.15	4.92	-106.35
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C1	REAL300000458998	0	28	-2.0	-103.49	281.67	3.03	-100.46
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1Cl	REAL300000458999	1	33	-2.0	-97.81	313.67	4.58	-93.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)=C(Cl)O1	REAL300000459000	0	26	-2.0	-94.98	285.61	3.88	-91.10
CCC1=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2Cl)C=C(C(=O)[O-])O1	REAL300000459003	1	32	-2.0	-100.92	308.62	4.74	-96.18
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1)C1CC1C	REAL300000459005	1	45	-2.0	-114.60	375.28	7.19	-107.41
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1)C1CC1C	REAL300000459006	0	42	-2.0	-113.75	368.03	6.11	-107.64
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1)C1CC1C	REAL300000459007	1	46	-2.0	-113.68	381.49	6.44	-107.24
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1)C1CC1C	REAL300000459008	0	42	-2.0	-99.62	376.74	6.49	-93.13
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1)C1CC1C	REAL300000459009	0	45	-2.0	-113.73	377.85	6.22	-107.51
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1)C1CC1C	REAL300000459010	0	42	-2.0	-108.50	367.12	6.21	-102.29
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1)C1CC1C	REAL300000459011	0	44	-2.0	-117.71	371.06	5.20	-112.51
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=C(OC(F)F)C=CC=C32)=C1	REAL300000459021	0	40	-2.0	-111.63	350.11	5.90	-105.73
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000459027	0	40	-2.0	-108.24	360.62	4.31	-103.93
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000459028	0	40	-2.0	-98.16	356.07	4.29	-93.87
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000459029	0	40	-2.0	-110.94	356.09	4.28	-106.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CN=C1OC(C)C	REAL300000459030	0	44	-2.0	-115.70	384.23	4.08	-111.62
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000459031	0	44	-2.0	-97.43	387.54	5.58	-91.85
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459032	0	43	-2.0	-112.28	372.11	4.82	-107.46
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000459033	0	40	-2.0	-105.80	369.16	4.86	-100.94
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000459034	0	40	-2.0	-106.78	368.59	4.68	-102.10
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000459035	0	46	-2.0	-113.18	388.75	5.64	-107.54
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000459036	0	40	-2.0	-107.82	361.55	4.35	-103.47
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000459037	0	46	-2.0	-96.69	399.66	5.87	-90.82
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000459038	0	37	-2.0	-104.97	349.27	3.31	-101.66
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000459039	0	43	-2.0	-110.94	371.52	5.07	-105.87
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000459040	0	44	-2.0	-96.16	387.16	4.57	-91.59
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000459041	0	41	-2.0	-109.30	362.74	3.64	-105.66
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000459042	0	44	-2.0	-111.14	380.30	3.11	-108.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC(C)C)=C1	REAL300000459043	0	40	-2.0	-101.23	365.20	3.97	-97.26
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000459044	0	46	-2.0	-112.10	387.54	5.60	-106.50
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000459045	0	37	-2.0	-106.46	347.74	3.33	-103.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000459046	0	44	-2.0	-116.73	383.37	4.35	-112.38
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000459047	0	49	-2.0	-113.08	409.98	6.29	-106.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CN=C1OC(C)C	REAL300000459048	0	46	-2.0	-108.57	386.22	6.01	-102.56
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CN=C1OC(C)C	REAL300000459049	0	47	-2.0	-116.95	406.51	4.85	-112.10
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000459050	0	42	-3.0	-187.25	384.49	4.85	-182.40
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000459051	0	47	-2.0	-115.22	400.33	6.18	-109.04
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000459052	0	40	-2.0	-104.16	359.10	3.44	-100.72
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000459053	0	44	-2.0	-112.83	385.01	3.38	-109.45
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000459054	0	47	-2.0	-96.71	407.25	5.27	-91.44
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000459055	0	43	-2.0	-101.76	376.39	5.13	-96.63
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000459056	0	44	-2.0	-95.58	393.38	4.63	-90.95
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000459057	0	47	-2.0	-117.35	405.22	5.26	-112.09
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC(C)C)C=C(C(=O)[O-])S1	REAL300000459058	0	40	-2.0	-107.31	365.78	4.18	-103.13
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000459059	0	40	-2.0	-95.64	369.14	4.84	-90.80
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000459060	0	40	-2.0	-97.58	360.60	4.32	-93.26
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000459061	0	37	-2.0	-99.96	348.34	3.41	-96.55
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000459062	0	40	-2.0	-101.71	362.49	4.35	-97.36
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000459063	0	43	-2.0	-109.22	381.84	4.99	-104.23
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000459064	0	40	-2.0	-97.84	361.55	4.35	-93.49
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000459065	0	40	-2.0	-95.72	368.57	4.69	-91.03
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000459066	0	43	-2.0	-103.51	385.12	5.51	-98.00
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000459067	0	40	-2.0	-99.76	366.91	4.38	-95.38
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000459068	0	42	-2.0	-95.85	384.28	4.95	-90.90
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000459069	0	40	-3.0	-209.22	362.22	2.89	-206.33
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000459070	0	43	-2.0	-101.41	378.26	5.07	-96.34
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000459071	0	43	-2.0	-107.39	366.13	4.92	-102.47
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000459072	0	43	-2.0	-109.52	380.92	4.94	-104.58
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000459073	0	43	-2.0	-98.06	371.51	5.07	-92.99
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459074	0	46	-2.0	-114.33	388.96	5.35	-108.98
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000459075	0	42	-2.0	-108.83	382.64	5.38	-103.45
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000459076	0	40	-2.0	-99.56	367.83	4.41	-95.15
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000459077	0	46	-2.0	-111.62	390.57	5.67	-105.95
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000459078	0	43	-2.0	-110.07	381.41	4.98	-105.09
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000459079	0	43	-2.0	-107.62	387.85	5.42	-102.20
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000459080	0	43	-2.0	-116.66	381.13	4.98	-111.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000459081	0	46	-2.0	-113.05	390.02	5.47	-107.58
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC(C)C)C=C1CC(=O)[O-]	REAL300000459082	0	47	-2.0	-114.03	406.55	4.41	-109.62
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000459083	0	43	-2.0	-100.60	382.36	5.46	-95.14
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000459084	0	43	-2.0	-108.48	387.31	5.24	-103.24
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC(C)C)C=C1C(=O)[O-]	REAL300000459085	0	44	-2.0	-110.53	384.10	4.50	-106.03
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459086	0	43	-2.0	-104.27	385.95	5.25	-99.02
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000459087	0	43	-2.0	-98.34	372.10	4.83	-93.51
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000459088	0	43	-2.0	-108.35	375.62	5.12	-103.23
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000459089	0	42	-2.0	-118.90	379.84	6.13	-112.77
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000459090	0	40	-2.0	-115.70	359.71	4.31	-111.39
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459091	0	43	-2.0	-102.55	377.25	4.86	-97.69
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000459092	0	39	-2.0	-107.35	353.08	2.35	-105.00
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CN=C1OC(C)C	REAL300000459093	0	44	-2.0	-102.36	384.30	4.09	-98.27
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000459094	0	37	-2.0	-98.20	356.19	3.26	-94.94
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000459095	0	47	-2.0	-104.47	402.21	6.17	-98.30
CC1=CN=C(OC(C)C)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000459096	0	47	-2.0	-108.28	400.17	6.15	-102.13
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000459097	0	43	-2.0	-103.63	378.21	4.28	-99.35
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000459098	1	36	-2.0	-110.52	340.85	3.13	-107.39
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000459099	1	36	-2.0	-101.30	336.32	3.11	-98.19
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000459100	1	36	-2.0	-113.14	336.32	3.10	-110.04
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000459101	0	40	-2.0	-118.13	364.46	2.90	-115.23
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000459102	1	40	-2.0	-100.94	367.79	4.40	-96.54
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459103	1	39	-2.0	-114.93	352.96	3.65	-111.28
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000459104	0	36	-2.0	-108.43	349.39	3.67	-104.76
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000459105	1	36	-2.0	-108.93	348.82	3.49	-105.44
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000459106	1	42	-2.0	-115.36	368.99	4.46	-110.90
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000459107	0	36	-2.0	-110.26	341.79	3.16	-107.10
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000459108	1	42	-2.0	-100.06	379.90	4.68	-95.38
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000459109	0	33	-2.0	-107.51	329.50	2.12	-105.39
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000459110	1	39	-2.0	-113.22	351.75	3.89	-109.33
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000459111	1	40	-2.0	-99.60	367.40	3.38	-96.22
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000459112	0	37	-2.0	-111.64	342.96	2.47	-109.17
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000459114	0	36	-2.0	-104.52	345.43	2.79	-101.73
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000459115	1	42	-2.0	-114.86	367.77	4.47	-110.39
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000459116	0	33	-2.0	-108.94	327.97	2.13	-106.81
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000459117	1	40	-2.0	-118.95	363.60	3.17	-115.78
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000459118	1	45	-2.0	-115.40	390.22	5.10	-110.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(=O)NC)=C1	REAL300000459119	1	42	-2.0	-111.32	366.46	4.82	-106.50
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000459120	0	43	-2.0	-119.40	386.75	3.67	-115.73
CNC(=O)OC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000459121	0	39	-2.0	-114.59	371.35	3.53	-111.06
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000459121	1	38	-3.0	-189.67	364.73	3.67	-186.00
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000459122	1	43	-2.0	-117.50	380.56	5.00	-112.50
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000459123	0	36	-2.0	-106.47	339.33	2.24	-104.23
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000459124	0	40	-2.0	-115.98	365.30	2.19	-113.79
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000459125	1	43	-2.0	-99.97	387.47	4.08	-95.89
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000459126	1	39	-2.0	-104.05	357.02	3.93	-100.12
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000459127	1	40	-2.0	-98.81	373.61	3.45	-95.36
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(=O)NC)=C2)C=C1C(=O)[O-]	REAL300000459128	1	43	-2.0	-121.40	385.45	4.08	-117.32
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000459129	0	36	-2.0	-109.78	344.92	2.99	-106.79
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000459130	0	36	-2.0	-99.06	349.37	3.66	-95.40
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000459131	1	36	-2.0	-100.63	340.84	3.14	-97.49
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000459132	0	33	-2.0	-103.21	328.59	2.23	-100.98
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000459133	1	36	-2.0	-104.11	342.73	3.17	-100.94
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000459134	0	39	-2.0	-111.71	362.08	3.81	-107.90
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000459135	0	36	-2.0	-101.21	341.78	3.17	-98.04
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000459136	1	36	-2.0	-98.77	348.82	3.50	-95.27
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000459137	1	39	-2.0	-105.65	365.76	4.30	-101.35
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000459138	1	36	-2.0	-102.20	347.15	3.20	-99.00
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000459139	0	38	-2.0	-98.40	364.51	3.76	-94.64
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000459140	0	37	-2.0	-111.98	346.03	0.82	-111.16
CNC(=O)OC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000459140	1	37	-2.0	-109.75	344.79	1.69	-108.06
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000459141	1	39	-2.0	-104.58	358.50	3.88	-100.70
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000459142	1	39	-2.0	-111.36	346.66	3.77	-107.59
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000459143	1	39	-2.0	-113.54	361.15	3.75	-109.79
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000459144	1	39	-2.0	-101.21	351.73	3.87	-97.34
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459145	1	42	-2.0	-118.22	369.43	4.18	-114.04
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000459146	0	38	-2.0	-111.37	362.83	4.19	-107.18
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000459147	0	36	-2.0	-102.18	348.07	3.23	-98.95
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000459148	1	42	-2.0	-115.72	370.98	4.49	-111.23
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000459149	0	39	-2.0	-110.49	358.42	3.72	-106.77
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000459150	0	39	-2.0	-110.14	368.08	4.24	-105.90
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000459151	0	39	-2.0	-120.62	361.35	3.79	-116.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(=O)NC)=C2)C=C1C(=O)[O-]	REAL300000459152	1	42	-2.0	-115.26	370.48	4.28	-110.98
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000459153	1	43	-2.0	-115.64	386.78	3.23	-112.41
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000459154	1	39	-2.0	-104.18	363.37	4.28	-99.90
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000459155	1	39	-2.0	-112.39	367.53	4.07	-108.32
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(=O)NC)=C2)C=C1C(=O)[O-]	REAL300000459156	0	40	-2.0	-114.25	364.45	3.31	-110.94
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459157	1	39	-2.0	-108.54	370.50	4.19	-104.35
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000459158	1	39	-2.0	-100.54	352.95	3.66	-96.88
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000459159	1	39	-2.0	-110.47	356.27	3.92	-106.55
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000459160	0	38	-2.0	-123.46	360.07	4.96	-118.50
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000459161	0	36	-2.0	-119.89	339.93	3.13	-116.76
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459162	1	39	-2.0	-106.83	361.79	3.80	-103.03
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000459163	0	35	-2.0	-110.18	333.30	1.16	-109.02
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000459164	0	40	-2.0	-105.42	364.51	2.92	-102.50
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000459165	0	33	-2.0	-100.91	336.47	2.09	-98.82
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000459166	1	43	-2.0	-107.28	382.44	4.99	-102.29
CNC(=O)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000459167	1	43	-2.0	-111.96	381.75	4.98	-106.98
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(=O)NC)=C2)C=C(C(=O)[O-])O1	REAL300000459168	0	39	-2.0	-106.13	358.45	3.09	-103.04
CCOC(=O)C1=CC(COC)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000459169	1	44	-2.0	-96.29	397.38	6.32	-89.97
CCOC(=O)C1=CC(COC)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000459170	1	44	-2.0	-109.24	397.39	6.31	-102.93
CCOC(=O)C1=CC(COC)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000459171	0	41	-2.0	-102.77	390.57	5.32	-97.45
CCOC(=O)C1=CC(COC)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000459172	0	45	-2.0	-107.52	404.04	5.65	-101.87
CCOC(=O)C1=CC(COC)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000459173	0	41	-2.0	-104.86	389.04	5.34	-99.52
CCOC(=O)C1=CC(COC)=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000459174	0	44	-2.0	-102.64	400.40	5.45	-97.19
CCOC(=O)C1=CC(COC)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000459175	0	41	-2.0	-98.08	389.65	5.43	-92.65
CCOC(=O)C1=CC(COC)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000459176	0	43	-2.0	-106.22	393.61	4.44	-101.78
COCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(C(=O)OC)=C1	REAL300000459177	1	41	-2.0	-106.03	380.06	5.41	-100.62
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(C(=O)OC)=C1	REAL300000459178	1	41	-2.0	-95.66	375.52	5.39	-90.27
COCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(C(=O)OC)=C1	REAL300000459179	1	41	-2.0	-108.48	375.53	5.38	-103.10
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(C(=O)OC)=C1	REAL300000459180	1	44	-2.0	-108.75	391.55	5.92	-102.83
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(C(=O)OC)=C1	REAL300000459181	0	41	-2.0	-105.26	381.01	5.45	-99.81
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(C(=O)OC)=C1	REAL300000459182	0	38	-2.0	-102.13	368.71	4.40	-97.73
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(C(=O)OC)=C1	REAL300000459183	1	44	-2.0	-108.97	390.97	6.17	-102.80
COCC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(C(=O)OC)=C1	REAL300000459184	0	42	-2.0	-106.81	382.18	4.73	-102.08
COCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC(C(=O)OC)=C1	REAL300000459185	0	41	-2.0	-98.69	384.64	5.07	-93.62
COCC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(C(=O)OC)=C1	REAL300000459186	0	38	-2.0	-104.20	367.18	4.41	-99.79
COCC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC(C(=O)OC)=C1	REAL300000459187	0	41	-2.0	-101.96	378.54	4.53	-97.43
COCC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC(C(=O)OC)=C1	REAL300000459188	0	41	-2.0	-105.47	384.13	5.28	-100.19
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)OC)=C1	REAL300000459189	1	41	-2.0	-95.31	380.06	5.42	-89.89
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(C(=O)OC)=C1	REAL300000459190	0	38	-2.0	-97.46	367.79	4.50	-92.96
COCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(=O)OC)=C1	REAL300000459191	1	41	-2.0	-99.30	381.94	5.45	-93.85
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(C(=O)OC)=C1	REAL300000459192	0	41	-2.0	-95.17	380.99	5.45	-89.72
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(C(=O)OC)=C1	REAL300000459193	0	42	-2.0	-108.08	385.25	3.08	-105.00
COCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(C(=O)OC)=C1	REAL300000459193	1	42	-2.0	-105.89	384.46	3.89	-102.00
COCC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(C(=O)OC)=C1	REAL300000459194	1	44	-2.0	-99.39	397.70	6.17	-93.22
COCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(C(=O)OC)=C1	REAL300000459195	1	44	-2.0	-104.48	385.58	6.02	-98.46
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC(C(=O)OC)=C1	REAL300000459196	1	44	-2.0	-96.02	390.94	6.16	-89.86
CCN1C=C(S(=O)(=O)[N-]C2=CC(COC)=CC(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000459197	0	45	-2.0	-108.03	403.55	5.59	-102.44
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(C(=O)OC)=C1	REAL300000459198	1	44	-2.0	-95.89	391.54	5.93	-89.96
COCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(C(=O)OC)=C1	REAL300000459199	0	41	-2.0	-112.28	379.19	5.42	-106.86
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(C(=O)OC)=C1	REAL300000459200	0	40	-2.0	-105.43	371.75	3.52	-101.91
CCC1=C(S(=O)(=O)[N-]C2=CC(COC)=CC(C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000459201	0	44	-2.0	-101.90	397.66	5.38	-96.52
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2N(C)C1=O	REAL300000459216	1	40	-2.0	-101.84	358.36	6.49	-95.35
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2N(C)C1=O	REAL300000459218	1	40	-2.0	-104.07	353.83	6.46	-97.61
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C2N(C)C1=O	REAL300000459219	1	44	-2.0	-92.02	384.90	7.77	-84.25
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2N(C)C1=O	REAL300000459221	0	40	-2.0	-101.36	358.92	6.53	-94.83
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2N(C)C1=O	REAL300000459222	0	37	-2.0	-98.70	347.02	5.48	-93.22
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C2N(C)C1=O	REAL300000459223	1	43	-2.0	-105.50	369.25	7.25	-98.25
CC1=CC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2N(C)C1=O	REAL300000459224	1	41	-2.0	-102.61	360.09	5.83	-96.78
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=C(C)C(=O)N3C)=C1	REAL300000459225	0	40	-2.0	-94.94	362.55	6.16	-88.78
CC1=CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2N(C)C1=O	REAL300000459226	0	37	-2.0	-100.04	345.48	5.50	-94.54
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=C(C)C(=O)N3C)C=C(C(=O)[O-])O1	REAL300000459227	0	40	-2.0	-98.83	356.84	5.60	-93.23
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=C(C)C(=O)N3C)C=C(C(=O)[O-])S1	REAL300000459228	1	40	-2.0	-102.12	362.43	6.34	-95.78
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2N(C)C1=O	REAL300000459229	1	40	-2.0	-92.06	358.34	6.50	-85.56
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2N(C)C1=O	REAL300000459230	0	37	-2.0	-93.83	346.08	5.59	-88.24
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2N(C)C1=O	REAL300000459231	1	40	-2.0	-95.22	359.84	6.54	-88.68
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2N(C)C1=O	REAL300000459232	0	40	-2.0	-91.51	358.90	6.54	-84.97
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2N(C)C1=O	REAL300000459233	0	41	-2.0	-104.53	363.54	4.18	-100.35
CC1=CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2N(C)C1=O	REAL300000459233	1	41	-2.0	-105.30	362.39	4.98	-100.32
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2N(C)C1=O	REAL300000459234	1	43	-2.0	-95.80	375.62	7.26	-88.54
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C2N(C)C1=O	REAL300000459235	1	43	-2.0	-100.23	363.36	7.13	-93.10
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=C(C)C(=O)N3C)C=C1C(=O)[O-]	REAL300000459237	1	44	-2.0	-103.81	381.46	6.69	-97.12
CC1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2N(C)C1=O	REAL300000459239	0	40	-2.0	-107.61	357.47	6.50	-101.11
CC1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2N(C)C1=O	REAL300000459240	0	39	-2.0	-101.62	349.65	4.60	-97.02
CC1=CC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2N(C)C1=O	REAL300000459241	0	37	-2.0	-92.66	353.98	5.45	-87.21
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=C(C)C(=O)N3C)C=C(C(=O)[O-])O1	REAL300000459242	0	43	-2.0	-98.79	375.97	6.45	-92.34
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1C1CCOCC1	REAL300000459243	0	42	-2.0	-109.02	370.68	4.28	-104.74
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1CCOCC1	REAL300000459244	0	42	-2.0	-99.05	366.13	4.26	-94.79
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1CCOCC1	REAL300000459245	0	42	-2.0	-111.62	366.14	4.25	-107.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C2CCOCC2)N=C1	REAL300000459246	0	46	-2.0	-117.87	394.28	4.05	-113.82
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=NN1C1CCOCC1	REAL300000459247	0	46	-2.0	-98.68	397.59	5.54	-93.14
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C1CCOCC1	REAL300000459248	0	45	-2.0	-112.67	382.16	4.77	-107.90
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=NN1C1CCOCC1	REAL300000459249	0	42	-2.0	-107.85	379.22	4.80	-103.05
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=NN1C1CCOCC1	REAL300000459250	0	42	-2.0	-107.41	378.66	4.63	-102.78
CC1=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)C=NN1C1CCOCC1	REAL300000459251	0	48	-2.0	-115.56	398.81	5.59	-109.97
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=NN1C1CCOCC1	REAL300000459252	0	42	-2.0	-109.36	371.61	4.31	-105.05
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=NN1C1CCOCC1	REAL300000459253	0	48	-2.0	-98.11	409.72	5.83	-92.28
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C1CCOCC1	REAL300000459254	0	39	-2.0	-105.88	359.33	3.27	-102.61
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NN1C1CCOCC1	REAL300000459255	0	45	-2.0	-113.48	381.58	5.03	-108.45
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=NN1C1CCOCC1	REAL300000459256	0	46	-2.0	-97.30	397.21	4.53	-92.77
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1C1CCOCC1	REAL300000459257	0	43	-2.0	-110.02	372.79	3.60	-106.42
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=NN1C1CCOCC1	REAL300000459258	0	46	-2.0	-114.11	389.92	3.08	-111.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)N(C3CCOCC3)N=C2)=C1	REAL300000459259	0	42	-2.0	-101.85	375.25	3.92	-97.93
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)C=NN1C1CCOCC1	REAL300000459260	0	48	-2.0	-116.04	401.59	5.67	-110.37
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C1CCOCC1	REAL300000459261	0	39	-2.0	-107.19	357.78	3.28	-103.91
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000459262	0	46	-2.0	-117.48	393.43	4.31	-113.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C2CCOCC2)N=C1	REAL300000459263	0	48	-2.0	-111.80	396.26	5.96	-105.84
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3CCOCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000459264	0	42	-2.0	-106.03	369.15	3.39	-102.64
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=NN1C1CCOCC1	REAL300000459265	0	46	-2.0	-112.21	395.11	3.34	-108.87
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=NN1C1CCOCC1	REAL300000459266	0	45	-2.0	-103.78	386.85	5.06	-98.72
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3CCOCC3)N=C2)C=C(C(=O)[O-])S1	REAL300000459267	0	42	-2.0	-109.55	375.83	4.13	-105.42
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=NN1C1CCOCC1	REAL300000459268	0	42	-2.0	-96.50	379.19	4.81	-91.69
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=NN1C1CCOCC1	REAL300000459269	0	42	-2.0	-98.51	370.68	4.29	-94.22
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1CCOCC1	REAL300000459270	0	39	-2.0	-100.64	358.41	3.37	-97.27
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=NN1C1CCOCC1	REAL300000459271	0	42	-2.0	-102.41	372.56	4.30	-98.11
CC1=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C=NN1C1CCOCC1	REAL300000459272	0	45	-2.0	-110.83	391.89	4.94	-105.89
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=NN1C1CCOCC1	REAL300000459273	0	42	-2.0	-98.26	371.60	4.32	-93.94
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=NN1C1CCOCC1	REAL300000459274	0	42	-2.0	-96.54	378.65	4.64	-91.90
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=NN1C1CCOCC1	REAL300000459275	0	43	-2.0	-112.66	375.86	1.95	-110.71
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1C1CCOCC1	REAL300000459276	0	45	-2.0	-103.12	388.32	5.02	-98.10
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NN1C1CCOCC1	REAL300000459277	0	45	-2.0	-106.96	376.18	4.89	-102.07
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)C=NN1C1CCOCC1	REAL300000459278	0	45	-2.0	-110.43	390.98	4.89	-105.54
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NN1C1CCOCC1	REAL300000459279	0	45	-2.0	-99.44	381.55	5.02	-94.42
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)C=NN1C1CCOCC1	REAL300000459280	0	48	-2.0	-114.67	399.02	5.31	-109.36
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=NN1C1CCOCC1	REAL300000459281	0	48	-2.0	-111.28	399.67	5.65	-105.63
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C=NN1C1CCOCC1	REAL300000459282	0	45	-2.0	-111.68	391.46	4.94	-106.74
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=NN1C1CCOCC1	REAL300000459283	0	45	-2.0	-115.27	391.18	4.94	-110.33
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000459284	0	48	-2.0	-113.38	400.46	5.43	-107.95
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(C3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000459285	0	46	-2.0	-111.29	394.16	4.47	-106.82
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C1CCOCC1	REAL300000459286	0	45	-2.0	-99.18	382.15	4.78	-94.40
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=NN1C1CCOCC1	REAL300000459287	0	45	-2.0	-111.03	385.68	5.08	-105.95
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=NN1C1CCOCC1	REAL300000459288	0	42	-2.0	-114.52	369.78	4.26	-110.26
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=NN1C1CCOCC1	REAL300000459289	0	45	-2.0	-103.13	387.31	4.81	-98.32
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1C1CCOCC1	REAL300000459290	0	41	-2.0	-109.67	363.13	2.30	-107.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)N(C2CCOCC2)N=C1	REAL300000459291	0	46	-2.0	-103.42	394.34	4.05	-99.37
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=NN1C1CCOCC1	REAL300000459292	0	39	-2.0	-99.60	366.25	3.22	-96.38
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(C3CCOCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000459293	0	45	-2.0	-106.07	388.26	4.24	-101.83
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000459294	1	41	-2.0	-95.13	361.31	7.73	-87.40
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000459295	1	41	-2.0	-107.59	361.32	7.71	-99.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000459296	1	44	-2.0	-110.06	381.18	8.36	-101.70
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000459297	0	38	-2.0	-96.54	361.63	7.04	-89.50
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC(C)(C)C)C(F)=C1	REAL300000459298	1	44	-2.0	-103.95	376.75	8.50	-95.45
CN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000459299	0	42	-2.0	-105.83	367.97	7.08	-98.75
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000459300	0	38	-2.0	-103.26	352.97	6.77	-96.49
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000459301	0	41	-2.0	-102.02	364.33	6.86	-95.16
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000459302	0	38	-2.0	-91.46	360.72	7.16	-84.30
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000459303	0	42	-2.0	-108.72	371.04	5.44	-103.28
CC(C)(C)SC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000459303	1	42	-2.0	-107.85	370.03	6.35	-101.50
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000459304	1	44	-2.0	-93.02	390.61	8.81	-84.21
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)(C)C)C(F)=C1	REAL300000459305	1	44	-2.0	-98.52	378.20	8.66	-89.86
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(C)(C)C)C(F)=C1	REAL300000459306	1	44	-2.0	-90.34	383.85	8.80	-81.54
CC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(C)(C)C)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000459307	1	44	-2.0	-95.22	377.43	8.27	-86.95
CC(C)(C)SC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000459308	0	40	-2.0	-99.85	358.30	5.78	-94.07
CN(C1=CN(C)N=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000459339	0	34	-2.0	-113.22	317.37	4.91	-108.31
CN(C1=CN(C)N=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000459371	0	32	-2.0	-109.20	288.41	2.95	-106.25
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000459417	0	37	-2.0	-112.09	336.89	5.69	-106.40
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000459418	0	37	-2.0	-101.36	332.32	5.68	-95.68
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000459419	0	37	-2.0	-114.58	332.34	5.66	-108.92
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000459420	0	41	-2.0	-116.98	360.48	5.35	-111.63
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000459421	0	41	-2.0	-100.25	363.79	6.97	-93.28
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459422	0	40	-2.0	-115.78	348.36	6.20	-109.58
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000459423	0	37	-2.0	-107.14	345.42	6.20	-100.94
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000459424	0	37	-2.0	-110.47	344.86	6.06	-104.41
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000459425	0	43	-2.0	-114.21	365.01	7.00	-107.21
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000459426	0	37	-2.0	-109.33	337.81	5.72	-103.61
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000459427	0	43	-2.0	-99.09	375.93	7.24	-91.85
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000459428	0	34	-2.0	-107.38	325.54	4.72	-102.66
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000459429	0	40	-2.0	-111.97	347.78	6.40	-105.57
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000459430	0	41	-2.0	-98.82	363.41	5.95	-92.87
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000459431	0	38	-2.0	-111.33	338.99	5.06	-106.27
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000459432	0	41	-2.0	-112.58	356.13	4.48	-108.10
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000459433	0	37	-2.0	-104.72	341.45	5.38	-99.34
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000459434	0	43	-2.0	-113.19	363.80	6.94	-106.25
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000459435	0	34	-2.0	-108.46	323.99	4.71	-103.75
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000459436	0	41	-2.0	-120.66	359.64	5.74	-114.92
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000459437	0	46	-2.0	-114.03	386.25	7.66	-106.37
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000459438	0	43	-2.0	-109.93	362.47	7.35	-102.58
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000459439	0	44	-2.0	-116.29	382.77	6.12	-110.17
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000459440	0	39	-3.0	-191.33	360.75	6.24	-185.09
CCC(=O)C1=CC=C(O)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000459440	1	40	-2.0	-116.33	367.87	4.00	-112.33
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000459441	0	44	-2.0	-116.44	376.59	7.57	-108.87
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000459442	0	37	-2.0	-106.34	335.35	4.81	-101.53
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000459443	0	41	-2.0	-117.02	361.27	4.64	-112.38
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000459444	0	44	-2.0	-99.31	383.50	6.65	-92.66
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000459445	0	40	-2.0	-103.22	353.05	6.44	-96.78
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000459446	0	41	-2.0	-98.65	369.65	6.01	-92.64
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)CC)=CC=C2O)C=C1C(=O)[O-]	REAL300000459447	0	44	-2.0	-121.28	381.49	6.65	-114.63
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000459448	0	37	-2.0	-108.77	342.04	5.55	-103.22
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000459449	0	37	-2.0	-98.61	345.39	6.20	-92.41
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000459450	0	37	-2.0	-101.09	336.87	5.71	-95.38
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000459451	0	34	-2.0	-103.37	324.61	4.82	-98.55
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000459452	0	37	-2.0	-105.35	338.76	5.73	-99.62
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000459453	0	40	-2.0	-110.90	358.10	6.36	-104.54
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000459454	0	37	-2.0	-100.62	337.80	5.74	-94.88
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000459455	0	37	-2.0	-99.03	344.84	6.06	-92.97
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000459456	0	40	-2.0	-104.75	361.79	6.82	-97.93
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000459457	0	37	-2.0	-101.92	343.17	5.76	-96.16
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000459458	0	39	-2.0	-99.32	360.54	6.33	-92.99
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000459459	0	38	-2.0	-110.63	342.05	3.27	-107.36
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000459460	0	40	-2.0	-103.83	354.53	6.44	-97.39
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000459461	0	40	-2.0	-111.39	342.38	6.26	-105.13
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000459462	0	40	-2.0	-113.63	357.18	6.31	-107.32
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000459463	0	40	-2.0	-101.18	347.76	6.39	-94.79
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459464	0	43	-2.0	-115.73	365.81	6.75	-108.98
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000459465	0	39	-2.0	-113.14	358.92	6.75	-106.39
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000459466	0	37	-2.0	-101.65	344.10	5.79	-95.86
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000459467	0	43	-2.0	-115.95	365.87	7.06	-108.89
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000459468	0	40	-2.0	-111.72	357.66	6.36	-105.36
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000459469	0	40	-2.0	-108.96	364.10	6.78	-102.18
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000459470	0	40	-2.0	-120.99	357.38	6.35	-114.64
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000459471	0	43	-2.0	-116.62	366.66	6.85	-109.77
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000459472	0	44	-2.0	-114.81	382.82	5.78	-109.03
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000459473	0	40	-2.0	-104.38	358.61	6.84	-97.54
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000459474	0	40	-2.0	-112.41	363.58	6.62	-105.79
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000459475	0	41	-2.0	-114.31	360.29	5.91	-108.40
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459476	0	40	-2.0	-107.42	366.12	6.73	-100.69
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000459477	0	40	-2.0	-101.45	348.35	6.21	-95.24
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000459478	0	40	-2.0	-109.82	351.88	6.48	-103.34
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000459479	0	39	-2.0	-123.11	356.07	7.37	-115.74
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000459480	0	37	-2.0	-120.06	335.98	5.69	-114.37
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459481	0	40	-2.0	-105.68	357.30	6.34	-99.34
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000459482	0	43	-2.0	-123.38	373.38	7.79	-115.59
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000459483	0	36	-2.0	-109.26	329.31	3.76	-105.50
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000459484	0	41	-2.0	-105.56	360.55	5.34	-100.22
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000459485	0	34	-2.0	-101.69	332.44	4.66	-97.03
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000459486	0	44	-2.0	-106.55	378.47	7.54	-99.01
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000459487	0	44	-2.0	-111.40	376.43	7.53	-103.87
CCC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000459488	0	40	-2.0	-105.85	354.46	5.67	-100.18
CC1=C(Br)C=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000459489	0	32	-2.0	-91.00	307.31	5.66	-85.34
CC1=C(Br)C=CC(O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000459490	0	32	-2.0	-103.87	307.34	5.65	-98.22
CC1=C(Br)C=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000459491	0	29	-2.0	-96.98	300.51	4.71	-92.27
CC1=C(Br)C=CC(O)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000459492	0	33	-2.0	-100.68	313.98	5.04	-95.64
CC1=C(Br)C=CC(O)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000459493	0	29	-2.0	-99.68	298.99	4.70	-94.98
CC1=C(S(=O)(=O)[N-]C2=C(O)C=CC(Br)=C2C)C=C(C(=O)[O-])O1	REAL300000459494	0	32	-2.0	-96.80	310.33	4.81	-91.99
CC1=C(Br)C=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000459495	0	29	-2.0	-92.42	299.61	4.82	-87.60
CC1=C(Br)C=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000459496	0	31	-2.0	-100.23	303.55	3.79	-96.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CC=C1F	REAL300000459497	1	37	-2.0	-107.46	334.71	6.63	-100.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1	REAL300000459498	1	37	-2.0	-97.25	330.18	6.61	-90.64
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459499	1	37	-2.0	-109.68	330.18	6.60	-103.08
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCCC2=C1	REAL300000459500	0	41	-2.0	-115.96	358.33	6.41	-109.55
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1	REAL300000459501	1	41	-2.0	-97.22	361.65	7.89	-89.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000459502	1	40	-2.0	-112.11	350.25	7.25	-104.86
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459503	0	37	-2.0	-105.97	343.25	7.17	-98.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CC=C1Cl	REAL300000459504	1	37	-2.0	-105.84	342.68	6.99	-98.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1C	REAL300000459505	1	43	-2.0	-113.36	362.58	7.92	-105.44
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459506	0	37	-2.0	-107.52	335.66	6.66	-100.86
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1	REAL300000459507	1	43	-2.0	-96.55	373.77	8.19	-88.36
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459508	0	34	-2.0	-103.86	323.37	5.63	-98.23
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCCC2=C1	REAL300000459509	1	40	-2.0	-111.47	345.62	7.39	-104.08
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1	REAL300000459510	1	41	-2.0	-95.79	361.27	6.88	-88.91
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000459511	0	38	-2.0	-107.95	336.83	5.95	-102.00
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCCC2=C1	REAL300000459512	1	41	-2.0	-111.79	354.39	5.42	-106.37
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459513	0	37	-2.0	-100.13	339.30	6.28	-93.85
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000459514	1	43	-2.0	-113.05	361.25	7.95	-105.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CS1	REAL300000459515	0	34	-2.0	-105.67	321.83	5.65	-100.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000459516	1	41	-2.0	-115.89	357.46	6.67	-109.22
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459517	1	47	-2.0	-115.34	385.42	9.24	-106.10
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCCC2=C1	REAL300000459518	1	46	-2.0	-113.82	384.08	8.62	-105.20
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCCC2=C1	REAL300000459519	1	43	-2.0	-110.08	360.31	8.33	-101.75
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCCC2=C1	REAL300000459520	0	44	-2.0	-116.30	380.61	7.16	-109.14
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3C(=O)CCCC3=C2)=CC(C(=O)[O-])=C1	REAL300000459521	0	40	-2.0	-114.33	361.08	7.16	-107.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CC(C(=O)[O-])=C1	REAL300000459521	1	39	-3.0	-184.29	358.59	7.16	-177.13
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459522	1	44	-2.0	-115.64	374.43	8.50	-107.14
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C(C(=O)[O-])O1	REAL300000459523	0	37	-2.0	-104.03	333.17	5.76	-98.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459524	0	41	-2.0	-110.90	359.17	5.69	-105.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C(Cl)C=C1F	REAL300000459525	0	37	-2.0	-102.59	347.78	7.19	-95.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CC=C1OCC(=O)[O-]	REAL300000459526	1	44	-2.0	-96.23	381.35	7.59	-88.64
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCCC2=C1	REAL300000459527	1	40	-2.0	-101.77	350.90	7.42	-94.35
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1F	REAL300000459528	1	41	-2.0	-95.21	367.49	6.95	-88.26
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000459529	1	44	-2.0	-116.03	379.31	7.57	-108.46
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C(C(=O)[O-])S1	REAL300000459530	0	37	-2.0	-107.80	338.78	6.50	-101.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C(Cl)=C1	REAL300000459531	0	37	-2.0	-94.84	343.23	7.16	-87.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1F	REAL300000459532	1	37	-2.0	-96.69	334.69	6.64	-90.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)S1	REAL300000459533	0	34	-2.0	-98.98	322.43	5.73	-93.25
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459534	1	37	-2.0	-100.45	336.58	6.67	-93.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1F	REAL300000459535	0	40	-2.0	-108.90	355.92	7.29	-101.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C(F)=C1	REAL300000459536	0	37	-2.0	-96.60	335.64	6.67	-89.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1Cl	REAL300000459537	1	37	-2.0	-94.71	342.66	7.00	-87.71
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCCC2=C1	REAL300000459538	1	40	-2.0	-103.49	359.64	7.81	-95.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CC(F)=C1F	REAL300000459539	1	37	-2.0	-98.88	341.00	6.69	-92.19
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459540	0	39	-2.0	-94.53	358.37	7.27	-87.26
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459541	0	38	-2.0	-108.58	328.93	5.20	-103.38
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459541	1	38	-2.0	-110.68	339.89	4.33	-106.35
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1	REAL300000459542	1	40	-2.0	-101.53	352.37	7.38	-94.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CC(Cl)=C1F	REAL300000459543	1	37	-2.0	-100.36	350.88	7.13	-93.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCCC2=C1	REAL300000459544	1	40	-2.0	-105.58	340.22	7.24	-98.34
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CC(C(=O)[O-])=C1F	REAL300000459545	1	40	-2.0	-108.36	355.01	7.25	-101.11
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCCC2=C1	REAL300000459546	1	40	-2.0	-97.63	345.60	7.38	-90.25
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CC(C(=O)[O-])=C1C	REAL300000459547	1	43	-2.0	-114.46	366.98	7.77	-106.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000459548	0	39	-2.0	-108.18	356.74	7.69	-100.49
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459549	0	37	-2.0	-98.93	341.94	6.73	-92.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C(C)=C1C(=O)[O-]	REAL300000459550	1	43	-2.0	-110.00	363.57	8.01	-101.99
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000459551	0	40	-2.0	-108.71	351.66	7.21	-101.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1Cl	REAL300000459552	0	40	-2.0	-107.72	361.96	7.75	-99.97
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459553	0	40	-2.0	-114.09	355.19	7.29	-106.80
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000459554	1	43	-2.0	-111.94	364.42	7.79	-104.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1CC(=O)[O-]	REAL300000459555	1	44	-2.0	-112.32	380.64	6.73	-105.59
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCCC2=C1	REAL300000459556	1	40	-2.0	-99.64	360.72	7.86	-91.78
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000459557	1	40	-2.0	-107.20	361.40	7.56	-99.64
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000459558	0	41	-2.0	-109.23	358.20	6.82	-102.41
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000459559	1	40	-2.0	-104.35	363.92	7.67	-96.68
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CC=C1C(=O)[O-]	REAL300000459560	1	40	-2.0	-97.41	346.19	7.14	-90.27
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCCC2=C1	REAL300000459561	1	40	-2.0	-109.10	349.72	7.44	-101.66
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CC=C1	REAL300000459562	0	39	-2.0	-116.73	353.91	8.47	-108.26
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CC=C1	REAL300000459563	0	37	-2.0	-113.42	333.84	6.63	-106.79
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000459564	1	40	-2.0	-102.52	355.12	7.28	-95.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=CC2=CC=CC=C21	REAL300000459565	1	43	-2.0	-118.34	371.22	8.73	-109.61
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000459566	0	36	-2.0	-107.81	327.17	4.66	-103.15
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCCC2=C1	REAL300000459567	0	41	-2.0	-101.60	358.38	6.40	-95.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)=C(Cl)O1	REAL300000459568	0	34	-2.0	-97.63	330.33	5.57	-92.06
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(=O)CCCC4=C3)C=C2)CC1	REAL300000459569	1	44	-2.0	-104.23	376.31	8.49	-95.74
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(=O)CCCC4=C3)C=C2C1	REAL300000459570	1	44	-2.0	-106.41	375.62	8.50	-97.91
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCCC3=C2)C=C(C(=O)[O-])O1	REAL300000459571	0	40	-2.0	-104.07	352.29	6.61	-97.46
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1	REAL300000459572	1	41	-2.0	-89.64	369.96	4.59	-85.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC=C1F	REAL300000459573	1	34	-2.0	-105.57	318.03	6.03	-99.54
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCC2=C1	REAL300000459574	0	42	-2.0	-107.49	373.12	7.09	-100.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1	REAL300000459575	1	34	-2.0	-95.67	313.48	6.01	-89.66
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459576	1	34	-2.0	-108.06	313.50	6.00	-102.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCC2=C1	REAL300000459577	0	38	-2.0	-114.08	341.64	5.80	-108.28
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1	REAL300000459578	1	38	-2.0	-95.55	344.95	7.29	-88.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000459579	1	37	-2.0	-109.17	329.52	6.53	-102.64
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459580	0	34	-2.0	-104.26	326.57	6.57	-97.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC=C1Cl	REAL300000459581	1	34	-2.0	-103.86	326.00	6.39	-97.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1C	REAL300000459582	1	40	-2.0	-111.62	345.90	7.32	-104.30
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459583	0	34	-2.0	-105.77	318.98	6.06	-99.71
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1	REAL300000459584	1	40	-2.0	-94.94	357.06	7.59	-87.35
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459585	0	31	-2.0	-102.26	306.68	5.02	-97.24
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCC2=C1	REAL300000459586	1	37	-2.0	-109.77	328.93	6.79	-102.98
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1	REAL300000459587	1	38	-2.0	-94.20	344.57	6.28	-87.92
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000459588	0	35	-2.0	-106.31	320.13	5.35	-100.96
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCC2=C1	REAL300000459589	1	38	-2.0	-110.06	337.71	4.82	-105.24
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459590	0	34	-2.0	-98.49	322.62	5.68	-92.81
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000459591	1	40	-2.0	-111.00	344.96	7.33	-103.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CS1	REAL300000459592	0	31	-2.0	-103.77	305.15	5.04	-98.73
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000459593	1	42	-2.0	-108.28	371.80	5.81	-102.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000459594	1	38	-2.0	-113.81	340.77	6.07	-107.74
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459595	1	44	-2.0	-113.58	368.74	8.63	-104.95
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCC2=C1	REAL300000459596	1	43	-2.0	-112.03	367.40	8.02	-104.01
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCC2=C1	REAL300000459597	1	40	-2.0	-108.42	343.64	7.73	-100.69
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCC2=C1	REAL300000459598	0	41	-2.0	-113.84	363.93	6.56	-107.28
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3C(=O)CCC3=C2)=CC(C(=O)[O-])=C1	REAL300000459599	0	37	-2.0	-112.36	344.39	6.56	-105.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC(C(=O)[O-])=C1	REAL300000459599	1	36	-3.0	-182.14	341.90	6.56	-175.58
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459600	1	41	-2.0	-113.86	357.75	7.89	-105.97
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C(C(=O)[O-])O1	REAL300000459601	0	34	-2.0	-102.49	316.51	5.14	-97.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC2=C1OCCO2	REAL300000459602	1	40	-2.0	-112.62	355.66	5.77	-106.85
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459603	0	38	-2.0	-108.84	342.49	5.09	-103.75
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(=O)CCC4=C3)C=C2C1	REAL300000459604	1	42	-2.0	-94.83	366.42	6.60	-88.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C(Cl)C=C1F	REAL300000459605	0	34	-2.0	-100.98	331.09	6.60	-94.38
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1Cl	REAL300000459606	1	38	-2.0	-92.76	360.60	6.82	-85.94
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC=C1OCC(=O)[O-]	REAL300000459607	1	41	-2.0	-94.65	364.64	6.99	-87.66
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCC2=C1	REAL300000459608	1	37	-2.0	-100.19	334.21	6.82	-93.37
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1F	REAL300000459609	1	38	-2.0	-93.72	350.79	6.35	-87.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000459610	1	41	-2.0	-114.47	362.63	6.97	-107.50
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C(C(=O)[O-])S1	REAL300000459611	0	34	-2.0	-106.13	322.10	5.90	-100.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C(Cl)=C1	REAL300000459612	0	34	-2.0	-93.25	326.55	6.56	-86.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1F	REAL300000459613	1	34	-2.0	-95.19	318.01	6.04	-89.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)S1	REAL300000459614	0	31	-2.0	-97.31	305.77	5.13	-92.18
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459615	1	34	-2.0	-98.89	319.89	6.07	-92.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1F	REAL300000459616	0	37	-2.0	-107.11	339.25	6.69	-100.42
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000459617	0	38	-2.0	-97.83	353.81	6.63	-91.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C(F)=C1	REAL300000459618	0	34	-2.0	-94.94	318.96	6.07	-88.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1Cl	REAL300000459619	1	34	-2.0	-93.24	325.99	6.40	-86.84
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCC2=C1	REAL300000459620	1	37	-2.0	-101.89	342.94	7.21	-94.68
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1	REAL300000459621	1	42	-2.0	-92.44	377.23	7.41	-85.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC(F)=C1F	REAL300000459622	1	34	-2.0	-97.09	324.30	6.09	-91.00
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459623	0	36	-2.0	-93.02	341.69	6.67	-86.35
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459624	0	35	-2.0	-106.44	312.24	4.59	-101.85
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459624	1	35	-2.0	-109.01	323.21	3.70	-105.31
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1	REAL300000459625	1	37	-2.0	-99.73	335.67	6.78	-92.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC(Cl)=C1F	REAL300000459626	1	34	-2.0	-98.54	334.19	6.53	-92.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCC2=C1	REAL300000459627	1	37	-2.0	-103.70	323.57	6.64	-97.06
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC(C(=O)[O-])=C1F	REAL300000459628	1	37	-2.0	-106.84	338.33	6.65	-100.19
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCC2=C1	REAL300000459629	1	37	-2.0	-96.04	328.92	6.78	-89.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC(C(=O)[O-])=C1C	REAL300000459630	1	40	-2.0	-112.30	350.31	7.17	-105.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000459631	0	36	-2.0	-106.48	340.06	7.09	-99.39
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459632	0	34	-2.0	-97.22	325.26	6.13	-91.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C(C)=C1C(=O)[O-]	REAL300000459633	1	40	-2.0	-107.87	347.98	7.40	-100.47
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000459634	0	37	-2.0	-106.86	334.97	6.60	-100.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1Cl	REAL300000459635	0	37	-2.0	-105.97	345.28	7.14	-98.83
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459636	0	37	-2.0	-112.07	338.53	6.69	-105.38
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000459637	1	40	-2.0	-109.88	347.45	7.19	-102.69
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1CC(=O)[O-]	REAL300000459638	1	41	-2.0	-110.31	363.96	6.13	-104.18
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCC2=C1	REAL300000459639	1	37	-2.0	-97.87	344.04	7.26	-90.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1C(F)(F)F	REAL300000459640	1	37	-2.0	-92.29	343.61	6.80	-85.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000459641	1	37	-2.0	-105.58	344.72	6.96	-98.62
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000459642	0	38	-2.0	-107.56	341.50	6.22	-101.34
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C(C)=C1CC(=O)[O-]	REAL300000459643	1	46	-2.0	-107.60	378.63	8.88	-98.72
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000459644	1	37	-2.0	-102.37	347.22	7.07	-95.30
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C(C(=O)[O-])S1	REAL300000459645	0	43	-2.0	-105.87	362.91	8.13	-97.74
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000459646	0	38	-2.0	-109.82	353.82	6.64	-103.18
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC=C1C(=O)[O-]	REAL300000459647	1	37	-2.0	-95.79	329.50	6.54	-89.25
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C([N+](=O)[O-])=C1	REAL300000459648	0	39	-2.0	-100.17	356.77	8.19	-91.98
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCC2=C1	REAL300000459649	1	37	-2.0	-107.17	333.46	6.82	-100.35
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC=C1	REAL300000459650	0	36	-2.0	-114.66	337.23	7.87	-106.79
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC=C1	REAL300000459651	0	34	-2.0	-111.39	317.14	6.03	-105.36
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000459652	1	37	-2.0	-100.55	338.43	6.68	-93.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=CC2=CC=CC=C21	REAL300000459653	1	40	-2.0	-116.16	354.54	8.13	-108.03
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C1	REAL300000459654	0	33	-2.0	-105.56	309.72	4.13	-101.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)CCC2=C1	REAL300000459655	0	38	-2.0	-99.92	341.70	5.80	-94.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)=C(Cl)O1	REAL300000459656	0	31	-2.0	-96.05	313.65	4.97	-91.08
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(=O)CCC4=C3)C=C2)CC1	REAL300000459657	1	41	-2.0	-102.66	359.61	7.89	-94.77
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(=O)CCC4=C3)C=C2C1	REAL300000459658	1	41	-2.0	-104.85	358.94	7.89	-96.96
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)CCC3=C2)C=C(C(=O)[O-])O1	REAL300000459659	0	37	-2.0	-102.44	335.63	5.99	-96.45
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000459660	1	41	-2.0	-105.01	360.24	6.70	-98.31
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000459661	1	41	-2.0	-94.95	355.66	6.67	-88.28
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000459662	1	41	-2.0	-107.59	355.69	6.66	-100.93
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000459663	0	45	-2.0	-113.08	383.83	6.46	-106.62
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000459664	1	45	-2.0	-94.70	387.13	7.96	-86.74
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459665	1	44	-2.0	-108.91	372.34	7.25	-101.66
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000459666	0	41	-2.0	-103.11	368.75	7.24	-95.87
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000459667	1	41	-2.0	-103.51	368.21	7.06	-96.45
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000459668	1	47	-2.0	-110.55	388.38	8.02	-102.53
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000459669	0	41	-2.0	-104.79	361.16	6.73	-98.06
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000459670	1	47	-2.0	-93.88	399.25	8.26	-85.62
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000459671	0	38	-2.0	-101.78	348.87	5.68	-96.10
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000459672	1	44	-2.0	-108.39	371.13	7.45	-100.94
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000459673	1	45	-2.0	-93.29	386.78	6.94	-86.35
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000459674	0	42	-2.0	-105.92	362.34	6.02	-99.90
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000459676	0	41	-2.0	-97.84	364.81	6.34	-91.50
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000459677	1	47	-2.0	-110.01	386.40	8.01	-102.00
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000459678	0	38	-2.0	-103.27	347.33	5.70	-97.57
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000459679	1	45	-2.0	-113.45	382.98	6.73	-106.72
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000459680	1	50	-2.0	-110.56	409.60	8.68	-101.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)CC)=C1	REAL300000459681	1	47	-2.0	-106.65	385.83	8.38	-98.27
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000459682	0	48	-2.0	-112.86	406.12	7.22	-105.64
CCC(C)OC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000459683	0	44	-2.0	-108.69	386.73	7.21	-101.48
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000459683	1	43	-3.0	-182.87	384.09	7.23	-175.64
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000459684	1	48	-2.0	-112.76	399.94	8.56	-104.20
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000459685	0	41	-2.0	-101.26	358.70	5.80	-95.46
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000459686	0	45	-2.0	-108.61	384.67	5.75	-102.86
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000459687	1	48	-2.0	-93.80	406.85	7.65	-86.15
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000459688	1	44	-2.0	-98.84	376.40	7.49	-91.35
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000459689	1	45	-2.0	-92.68	393.00	7.00	-85.68
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)CC)=C2)C=C1C(=O)[O-]	REAL300000459690	1	48	-2.0	-114.16	404.82	7.64	-106.52
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000459691	0	41	-2.0	-104.73	364.28	6.56	-98.17
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000459692	0	41	-2.0	-92.49	368.73	7.23	-85.26
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000459693	1	41	-2.0	-94.35	360.22	6.71	-87.64
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000459694	0	38	-2.0	-96.61	347.97	5.80	-90.81
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000459695	1	41	-2.0	-98.37	362.11	6.73	-91.64
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000459696	0	44	-2.0	-106.27	381.45	7.37	-98.90
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000459697	0	41	-2.0	-94.41	361.15	6.74	-87.67
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000459698	1	41	-2.0	-92.48	368.19	7.07	-85.41
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000459699	1	44	-2.0	-100.60	385.14	7.87	-92.73
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000459700	1	41	-2.0	-96.45	366.50	6.76	-89.69
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000459701	0	43	-2.0	-92.46	383.89	7.33	-85.13
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000459702	0	42	-2.0	-107.15	365.40	4.38	-102.77
CCC(C)OC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000459702	1	42	-2.0	-105.63	364.57	5.20	-100.43
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000459703	1	44	-2.0	-98.59	377.85	7.45	-91.14
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000459704	1	44	-2.0	-103.78	365.91	7.32	-96.46
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000459705	1	44	-2.0	-106.40	380.53	7.32	-99.08
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000459706	1	44	-2.0	-95.06	371.11	7.44	-87.62
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459707	1	47	-2.0	-112.23	392.63	7.85	-104.38
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000459708	0	43	-2.0	-105.64	382.34	7.76	-97.88
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000459709	0	41	-2.0	-96.37	367.44	6.79	-89.58
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000459710	1	47	-2.0	-108.28	389.16	8.07	-100.21
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000459711	0	44	-2.0	-107.45	381.48	7.41	-100.04
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000459712	0	44	-2.0	-104.95	387.46	7.79	-97.16
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000459713	0	44	-2.0	-112.71	380.73	7.36	-105.35
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)CC)=C2)C=C1C(=O)[O-]	REAL300000459714	1	47	-2.0	-109.54	389.96	7.85	-101.69
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000459715	1	48	-2.0	-109.30	406.16	6.80	-102.50
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000459716	1	44	-2.0	-97.04	382.57	7.87	-89.17
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000459717	1	44	-2.0	-105.30	386.92	7.63	-97.67
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000459718	0	45	-2.0	-107.27	383.83	6.88	-100.39
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459719	1	44	-2.0	-102.01	389.65	7.75	-94.26
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000459720	1	44	-2.0	-95.13	371.67	7.21	-87.92
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000459721	1	44	-2.0	-105.96	375.23	7.51	-98.45
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000459722	0	43	-2.0	-114.93	379.42	8.52	-106.41
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000459723	0	41	-2.0	-111.89	359.36	6.70	-105.19
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000459724	1	44	-2.0	-100.24	380.52	7.34	-92.90
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000459725	1	47	-2.0	-116.09	396.75	8.79	-107.30
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000459726	0	40	-2.0	-104.68	352.68	4.72	-99.96
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000459727	0	45	-2.0	-99.28	383.89	6.47	-92.81
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000459728	0	38	-2.0	-95.13	355.84	5.64	-89.49
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000459729	1	48	-2.0	-101.62	401.81	8.55	-93.07
CCC(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000459730	1	48	-2.0	-105.31	401.12	8.55	-96.76
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)CC)=C2)C=C(C(=O)[O-])O1	REAL300000459731	0	44	-2.0	-101.15	377.82	6.65	-94.50
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000459732	1	38	-2.0	-130.07	350.34	3.39	-126.68
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000459733	1	38	-2.0	-121.37	345.80	3.36	-118.01
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000459734	1	38	-2.0	-134.16	345.83	3.36	-130.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N=S(C)(C)=O)C=C1	REAL300000459735	0	42	-2.0	-142.07	373.96	3.16	-138.91
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000459736	1	42	-2.0	-120.33	377.27	4.65	-115.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N=S(C)(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000459737	1	41	-2.0	-138.68	365.91	4.00	-134.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N=S(C)(C)=O)C=C2)=C1C	REAL300000459738	1	44	-2.0	-137.63	378.23	4.67	-132.96
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000459739	0	38	-2.0	-130.78	351.29	3.42	-127.36
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000459740	1	44	-2.0	-119.60	389.38	4.94	-114.66
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000459741	0	35	-2.0	-128.45	339.02	2.40	-126.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N=S(C)(C)=O)C=C1	REAL300000459742	1	41	-2.0	-136.90	361.25	4.15	-132.75
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N=S(C)(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000459744	0	39	-2.0	-134.32	352.47	2.71	-131.61
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N=S(C)(C)=O)C=C2)=C1	REAL300000459746	0	38	-2.0	-124.14	354.94	3.04	-121.10
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000459748	0	35	-2.0	-128.73	337.49	2.43	-126.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N=S(C)(C)=O)C=C1	REAL300000459750	1	44	-2.0	-133.04	375.99	5.07	-127.97
CC1=C(S(=O)(=O)[N-]C2=CC=C(N=S(C)(C)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000459751	0	38	-2.0	-128.72	348.85	2.50	-126.22
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N=S(C)(C)=O)C=C2)=C1	REAL300000459752	0	42	-2.0	-134.30	374.80	2.45	-131.85
CC1=C(S(=O)(=O)[N-]C2=CC=C(N=S(C)(C)=O)C=C2)C=C(C(=O)[O-])S1	REAL300000459753	0	38	-2.0	-131.21	354.45	3.26	-127.95
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000459754	1	38	-2.0	-120.48	350.36	3.39	-117.09
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000459755	0	35	-2.0	-122.97	338.07	2.47	-120.50
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000459756	1	38	-2.0	-123.56	352.21	3.43	-120.13
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000459757	0	38	-2.0	-119.94	351.30	3.43	-116.51
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000459758	0	39	-2.0	-134.13	355.53	1.07	-133.06
CS(C)(=O)=NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000459758	1	39	-2.0	-123.71	354.76	1.85	-121.86
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000459759	1	41	-2.0	-125.22	367.98	4.14	-121.08
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(N=S(C)(C)=O)C=C1	REAL300000459760	1	41	-2.0	-132.91	359.11	4.13	-128.78
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N=S(C)(C)=O)C=C2)=CC(C(=O)[O-])=C1C	REAL300000459762	1	44	-2.0	-138.54	378.71	4.44	-134.10
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N=S(C)(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000459764	1	44	-2.0	-135.27	379.74	4.55	-130.72
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N=S(C)(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000459765	0	42	-2.0	-135.76	373.84	3.58	-132.18
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N=S(C)(C)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000459766	1	41	-2.0	-120.88	361.81	3.89	-116.99
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000459767	0	38	-2.0	-140.33	349.48	3.38	-136.95
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000459768	0	37	-2.0	-132.36	342.02	1.51	-130.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N=S(C)(C)=O)C=C1	REAL300000459769	0	42	-2.0	-125.62	374.04	3.16	-122.46
CS(C)(=O)=NC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000459770	0	35	-2.0	-122.04	345.97	2.34	-119.70
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N=S(C)(C)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000459771	0	41	-2.0	-128.59	367.94	3.35	-125.24
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000459772	0	44	-2.0	-90.78	392.43	1.95	-88.83
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000459773	0	37	-2.0	-107.42	340.49	3.39	-104.03
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000459774	0	45	-2.0	-107.92	395.57	4.45	-103.47
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000459775	0	37	-2.0	-97.38	335.94	3.37	-94.01
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000459776	0	37	-2.0	-109.98	335.95	3.36	-106.62
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000459777	0	41	-2.0	-114.85	364.10	3.16	-111.69
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000459778	0	41	-2.0	-96.79	367.41	4.66	-92.13
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000459779	0	40	-2.0	-111.24	351.97	3.90	-107.34
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000459780	0	37	-2.0	-104.89	349.02	3.94	-100.95
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000459781	0	37	-2.0	-105.84	348.46	3.75	-102.09
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000459782	0	43	-2.0	-112.24	368.62	4.72	-107.52
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000459783	0	37	-2.0	-106.80	341.43	3.43	-103.37
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000459784	0	43	-2.0	-96.02	379.52	4.95	-91.07
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000459785	0	34	-2.0	-104.16	329.14	2.39	-101.77
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000459786	0	40	-2.0	-110.02	351.39	4.15	-105.87
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000459787	0	41	-2.0	-95.50	367.04	3.65	-91.85
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000459788	0	38	-2.0	-108.34	342.59	2.72	-105.62
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000459789	0	41	-2.0	-110.23	360.16	2.19	-108.04
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000459790	0	37	-2.0	-100.33	345.06	3.05	-97.28
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000459791	0	43	-2.0	-111.20	367.41	4.68	-106.52
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000459792	0	34	-2.0	-105.62	327.60	2.40	-103.22
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000459793	0	45	-2.0	-110.52	394.28	3.18	-107.34
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000459794	0	41	-2.0	-115.95	363.23	3.43	-112.52
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000459795	0	47	-2.0	-114.05	391.19	6.00	-108.05
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000459796	0	46	-2.0	-112.21	389.85	5.37	-106.84
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000459797	0	43	-2.0	-107.95	366.10	5.09	-102.86
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000459798	0	44	-2.0	-116.05	386.39	3.93	-112.12
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000459799	0	39	-3.0	-185.85	364.36	3.93	-181.92
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000459800	0	44	-2.0	-114.43	380.20	5.26	-109.17
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000459801	0	37	-2.0	-103.26	338.96	2.51	-100.75
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000459802	0	43	-2.0	-114.93	378.12	3.14	-111.79
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000459803	0	41	-2.0	-111.77	364.87	2.46	-109.31
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000459804	0	45	-2.0	-96.24	388.87	3.97	-92.27
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000459805	0	37	-2.0	-101.54	353.55	3.97	-97.57
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000459806	0	44	-2.0	-95.96	387.11	4.35	-91.61
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000459807	0	40	-2.0	-100.95	356.25	4.21	-96.74
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000459808	0	41	-2.0	-94.94	373.24	3.71	-91.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CN=C2OCC)C=C1C(=O)[O-]	REAL300000459809	0	44	-2.0	-116.56	385.09	4.34	-112.22
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000459810	0	37	-2.0	-106.46	344.58	3.25	-103.21
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000459811	0	37	-2.0	-94.82	349.00	3.92	-90.90
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000459812	0	37	-2.0	-96.84	340.47	3.40	-93.44
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000459813	0	34	-2.0	-99.09	328.21	2.49	-96.60
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000459814	0	37	-2.0	-100.78	342.36	3.43	-97.35
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000459815	0	40	-2.0	-108.30	361.71	4.07	-104.23
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000459816	0	37	-2.0	-97.00	341.42	3.43	-93.57
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000459817	0	37	-2.0	-94.88	348.44	3.76	-91.12
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000459818	0	40	-2.0	-102.68	364.98	4.59	-98.09
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000459819	0	45	-2.0	-93.50	399.70	4.77	-88.73
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000459820	0	37	-2.0	-98.93	346.77	3.46	-95.47
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000459821	0	39	-2.0	-94.96	364.15	4.03	-90.93
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000459822	0	37	-3.0	-207.34	342.10	1.95	-205.39
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000459823	0	40	-2.0	-100.61	358.12	4.15	-96.46
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000459824	0	37	-2.0	-100.39	356.66	3.89	-96.50
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000459825	0	40	-2.0	-106.58	345.99	3.99	-102.59
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000459826	0	40	-2.0	-108.74	360.79	4.01	-104.73
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000459827	0	40	-2.0	-97.30	351.37	4.13	-93.17
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000459828	0	43	-2.0	-113.23	368.83	4.43	-108.80
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000459829	0	39	-2.0	-108.10	362.51	4.46	-103.64
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000459830	0	37	-2.0	-98.58	347.69	3.49	-95.09
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000459831	0	43	-2.0	-110.78	370.43	4.75	-106.03
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000459832	0	40	-2.0	-108.06	357.43	3.96	-104.10
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000459833	0	40	-2.0	-106.69	367.72	4.50	-102.19
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000459834	0	40	-2.0	-115.56	360.99	4.05	-111.51
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000459835	0	43	-2.0	-111.99	369.89	4.55	-107.44
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000459836	0	44	-2.0	-113.02	386.41	3.49	-109.53
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000459837	0	40	-2.0	-99.74	362.22	4.54	-95.20
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000459838	0	40	-2.0	-107.62	367.18	4.32	-103.30
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000459839	0	41	-2.0	-109.66	363.98	3.58	-106.08
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000459840	0	40	-2.0	-103.41	365.82	4.33	-99.08
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000459841	0	46	-2.0	-105.92	385.39	5.48	-100.44
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000459842	0	40	-2.0	-97.47	351.96	3.91	-93.56
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000459843	0	42	-2.0	-101.58	376.67	5.52	-96.06
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000459844	0	40	-2.0	-107.30	355.90	4.18	-103.12
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000459845	0	39	-2.0	-117.84	359.71	5.21	-112.63
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000459846	0	37	-2.0	-114.83	339.58	3.39	-111.44
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000459847	0	40	-2.0	-101.73	357.12	3.93	-97.80
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000459848	0	43	-2.0	-118.43	376.98	5.49	-112.94
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000459849	0	36	-2.0	-106.42	332.94	1.43	-104.99
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000459850	0	41	-2.0	-101.53	364.16	3.17	-98.36
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000459851	0	34	-2.0	-97.42	336.06	2.35	-95.07
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000459852	0	44	-2.0	-103.65	382.08	5.25	-98.40
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000459853	0	44	-2.0	-107.47	380.04	5.23	-102.24
CCOC1=NC=C(C)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000459854	0	40	-2.0	-102.88	358.08	3.36	-99.52
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1	REAL300000459855	0	43	-2.0	-95.07	381.32	1.58	-93.49
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC=C1F	REAL300000459856	0	36	-2.0	-111.32	329.39	3.02	-108.30
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCCO1	REAL300000459857	0	44	-2.0	-110.45	384.48	4.09	-106.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1	REAL300000459858	0	36	-2.0	-101.90	324.84	3.00	-98.90
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459859	0	36	-2.0	-113.52	324.88	2.99	-110.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCCO1	REAL300000459860	0	40	-2.0	-116.87	353.02	2.80	-114.07
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1	REAL300000459861	0	40	-2.0	-100.91	356.31	4.29	-96.62
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1C(=O)[O-]	REAL300000459862	0	39	-2.0	-116.04	344.95	3.64	-112.40
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459863	0	36	-2.0	-107.75	337.97	3.55	-104.20
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC=C1Cl	REAL300000459864	0	36	-2.0	-109.64	337.37	3.38	-106.26
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C(Cl)C=C1Cl	REAL300000459865	0	36	-2.0	-103.63	350.43	3.92	-99.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1C	REAL300000459866	0	42	-2.0	-114.17	357.29	4.29	-109.88
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459867	0	36	-2.0	-109.16	330.37	3.05	-106.11
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1	REAL300000459868	0	42	-2.0	-99.74	368.43	4.58	-95.16
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459869	0	33	-2.0	-108.06	318.08	2.02	-106.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCCO1	REAL300000459870	0	39	-2.0	-112.30	340.30	3.76	-108.54
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1	REAL300000459871	0	40	-2.0	-99.74	355.93	3.28	-96.46
CN1C=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1C(=O)[O-]	REAL300000459872	0	37	-2.0	-112.61	331.52	2.35	-110.26
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCCO1	REAL300000459873	0	40	-2.0	-112.80	348.66	1.76	-111.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459874	0	36	-2.0	-104.39	333.99	2.68	-101.71
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1C(=O)[O-]	REAL300000459875	0	42	-2.0	-113.43	356.32	4.30	-109.13
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CS1	REAL300000459876	0	33	-2.0	-109.51	316.51	2.03	-107.48
COC1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC(C(=O)[O-])=C1OC	REAL300000459877	0	44	-2.0	-114.16	383.15	2.80	-111.36
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1C(=O)[O-]	REAL300000459878	0	40	-2.0	-119.68	352.16	3.06	-116.62
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459879	0	46	-2.0	-116.12	380.09	5.52	-110.60
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCCO1	REAL300000459880	0	45	-2.0	-114.26	378.77	4.96	-109.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCCO1	REAL300000459881	0	42	-2.0	-110.06	355.05	4.51	-105.55
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCCO1	REAL300000459882	0	43	-2.0	-119.36	375.29	3.56	-115.80
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC(C(=O)[O-])=C1	REAL300000459883	0	38	-3.0	-189.34	353.27	3.55	-185.79
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459884	0	43	-2.0	-116.42	369.11	4.87	-111.55
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C(C(=O)[O-])O1	REAL300000459885	0	36	-2.0	-106.54	327.90	2.13	-104.41
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC2=C1OCCO2	REAL300000459886	0	42	-2.0	-118.78	367.03	2.76	-116.02
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459887	0	40	-2.0	-115.40	353.86	2.09	-113.31
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCCCO3)C=C2C1	REAL300000459888	0	44	-2.0	-100.89	378.49	3.60	-97.29
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC(Cl)=C1Cl	REAL300000459889	0	36	-2.0	-103.70	352.55	3.84	-99.86
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C(Cl)C=C1F	REAL300000459890	0	36	-2.0	-104.79	342.45	3.56	-101.23
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1Cl	REAL300000459891	0	40	-2.0	-98.40	371.96	3.82	-94.58
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC=C1OCC(=O)[O-]	REAL300000459892	0	43	-2.0	-100.23	376.01	3.98	-96.25
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCCO1	REAL300000459893	0	39	-2.0	-103.65	345.57	3.79	-99.86
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1F	REAL300000459894	0	40	-2.0	-99.44	362.16	3.34	-96.10
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1C(=O)[O-]	REAL300000459895	0	43	-2.0	-120.27	374.00	3.97	-116.30
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C(C(=O)[O-])S1	REAL300000459896	0	36	-2.0	-109.19	333.50	2.89	-106.30
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459897	0	36	-2.0	-102.05	353.09	4.00	-98.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C(Cl)=C1	REAL300000459898	0	36	-2.0	-99.54	337.92	3.54	-96.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1F	REAL300000459899	0	36	-2.0	-101.53	329.38	3.03	-98.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)S1	REAL300000459900	0	33	-2.0	-103.22	317.12	2.12	-101.10
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459901	0	36	-2.0	-104.79	331.27	3.06	-101.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1F	REAL300000459902	0	39	-2.0	-110.68	350.64	3.69	-106.99
COC1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C(Cl)C=C1C(=O)[O-]	REAL300000459903	0	40	-2.0	-104.39	365.17	3.60	-100.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C(F)=C1	REAL300000459904	0	36	-2.0	-101.34	330.33	3.06	-98.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1Cl	REAL300000459905	0	36	-2.0	-99.46	337.35	3.39	-96.07
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCCO1	REAL300000459906	0	39	-2.0	-105.23	354.31	4.18	-101.05
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1	REAL300000459907	0	44	-2.0	-97.70	388.61	4.40	-93.30
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC(F)=C1F	REAL300000459908	0	36	-2.0	-103.33	335.69	3.08	-100.25
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459909	0	38	-2.0	-99.13	353.05	3.66	-95.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459910	0	37	-2.0	-110.26	334.61	0.72	-109.54
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459910	1	36	-3.0	-209.03	331.05	1.59	-207.44
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1	REAL300000459911	0	39	-2.0	-103.70	347.03	3.78	-99.92
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC(Cl)=C1F	REAL300000459912	0	36	-2.0	-104.64	345.58	3.52	-101.12
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1CCCCO1	REAL300000459913	0	39	-2.0	-112.91	338.71	3.71	-109.20
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC(C(=O)[O-])=C1F	REAL300000459914	0	39	-2.0	-112.87	349.70	3.64	-109.23
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCCCO1	REAL300000459915	0	39	-2.0	-101.62	340.31	3.75	-97.87
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC(C(=O)[O-])=C1C	REAL300000459916	0	42	-2.0	-116.75	357.75	4.06	-112.69
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC=C1[N+](=O)[O-]	REAL300000459917	0	38	-2.0	-112.79	351.44	4.08	-108.71
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459918	0	36	-2.0	-101.63	336.62	3.12	-98.51
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C(C)=C1C(=O)[O-]	REAL300000459919	0	42	-2.0	-116.14	358.26	4.32	-111.82
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1C(=O)[O-]	REAL300000459920	0	39	-2.0	-110.23	346.37	3.59	-106.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1Cl	REAL300000459921	0	39	-2.0	-109.48	356.61	4.12	-105.36
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459922	0	39	-2.0	-120.48	349.93	3.68	-116.80
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1C(=O)[O-]	REAL300000459923	0	42	-2.0	-115.28	359.10	4.18	-111.10
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1CC(=O)[O-]	REAL300000459924	0	43	-2.0	-118.34	375.32	3.12	-115.22
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1CCCCO1	REAL300000459925	0	39	-2.0	-104.60	351.13	4.09	-100.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1C(F)(F)F	REAL300000459926	0	39	-2.0	-98.56	354.98	3.81	-94.75
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC(C(=O)[O-])=C1Cl	REAL300000459927	0	39	-2.0	-111.40	356.08	3.95	-107.45
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1C(=O)[O-]	REAL300000459928	0	40	-2.0	-113.77	352.89	3.20	-110.57
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C(C)=C1CC(=O)[O-]	REAL300000459929	0	48	-2.0	-111.84	390.02	5.84	-106.00
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C(F)C(Cl)=C1F	REAL300000459930	0	36	-2.0	-100.48	350.48	3.55	-96.93
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1C(=O)[O-]	REAL300000459931	0	39	-2.0	-108.44	358.60	4.07	-104.37
CC(C)(C)C1=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C(C(=O)[O-])S1	REAL300000459932	0	45	-2.0	-109.42	374.59	4.90	-104.52
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1C(=O)[O-]	REAL300000459933	0	40	-2.0	-113.33	365.22	3.61	-109.72
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC=C1C(=O)[O-]	REAL300000459934	0	39	-2.0	-101.90	340.87	3.53	-98.37
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C([N+](=O)[O-])=C1	REAL300000459935	0	41	-2.0	-104.88	368.15	5.05	-99.83
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCCO1	REAL300000459936	0	39	-2.0	-109.99	344.85	3.79	-106.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1[N+](=O)[O-]	REAL300000459937	0	38	-2.0	-122.77	348.59	4.85	-117.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1F	REAL300000459938	0	36	-2.0	-119.63	328.53	3.03	-116.60
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C1C(=O)[O-]	REAL300000459939	0	39	-2.0	-106.67	349.81	3.67	-103.00
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=CC2=CC=CC=C21	REAL300000459940	0	42	-2.0	-122.02	365.91	5.12	-116.90
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C1	REAL300000459941	0	35	-2.0	-111.19	321.11	1.13	-110.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCCCO1	REAL300000459942	0	40	-2.0	-105.65	353.07	2.80	-102.85
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCCO2)=C(Cl)O1	REAL300000459943	0	33	-2.0	-101.21	325.02	1.97	-99.24
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCCCO3)C=C2)CC1	REAL300000459944	0	43	-2.0	-107.17	370.99	4.88	-102.29
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCCCO3)C=C2C1	REAL300000459945	0	43	-2.0	-108.54	370.32	4.89	-103.65
CCC1=C(S(=O)(=O)[N-]NC(=O)C2CCCCO2)C=C(C(=O)[O-])O1	REAL300000459946	0	39	-2.0	-106.09	347.02	2.92	-103.17
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CSC=C2Br)=C1	REAL300000459954	1	25	-2.0	-101.67	283.37	4.63	-97.04
CC1=C(S(=O)(=O)[N-]C2=CSC=C2Br)C=C(C(=O)[O-])O1	REAL300000459966	1	25	-2.0	-98.63	280.91	3.72	-94.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CSC=C2Br)=C1F	REAL300000459974	1	28	-2.0	-103.07	303.66	5.27	-97.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC=C2Br)C(F)=C1	REAL300000459975	1	25	-2.0	-91.46	283.37	4.64	-86.82
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CSC=C2Br)=C1	REAL300000459977	0	26	-2.0	-104.48	282.08	2.73	-101.75
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CSC=C2Br)C=C1C(=O)[O-]	REAL300000459985	1	28	-2.0	-103.98	303.22	5.26	-98.72
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CSC=C2Br)=C1	REAL300000459986	1	28	-2.0	-108.91	302.94	5.26	-103.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CSC=C2Br)=C1F	REAL300000459991	1	25	-2.0	-108.09	281.57	4.60	-103.49
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CSC=C2Br)=C1	REAL300000459993	1	24	-2.0	-101.92	274.11	2.71	-99.21
CCC1=C(S(=O)(=O)[N-]C2=CSC=C2Br)C=C(C(=O)[O-])O1	REAL300000459996	1	28	-2.0	-98.46	300.03	4.57	-93.89
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000459997	0	35	-2.0	-101.45	338.15	5.38	-96.07
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000459998	0	35	-2.0	-91.69	333.59	5.36	-86.33
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000459999	0	35	-2.0	-103.85	333.62	5.35	-98.50
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000460000	0	38	-2.0	-104.94	349.63	5.87	-99.07
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000460001	0	35	-2.0	-100.91	339.43	5.42	-95.49
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000460002	0	32	-2.0	-98.27	326.80	4.36	-93.91
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000460003	0	38	-2.0	-104.46	349.38	6.14	-98.32
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000460004	0	36	-2.0	-102.24	340.26	4.69	-97.55
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000460005	0	35	-2.0	-94.51	342.72	5.02	-89.49
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000460006	0	32	-2.0	-99.66	325.27	4.38	-95.28
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000460007	0	35	-2.0	-97.85	336.62	4.48	-93.37
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000460008	0	35	-2.0	-101.07	342.24	5.24	-95.83
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000460009	0	35	-2.0	-91.36	338.15	5.39	-85.97
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000460010	0	32	-2.0	-93.39	325.88	4.47	-88.92
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000460011	0	35	-2.0	-94.88	340.03	5.40	-89.48
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000460012	0	35	-2.0	-91.13	339.41	5.43	-85.70
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000460013	0	36	-2.0	-103.15	343.33	3.04	-100.11
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000460014	0	38	-2.0	-94.98	355.78	6.12	-88.86
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000460015	0	38	-2.0	-100.10	343.65	5.98	-94.12
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000460016	0	38	-2.0	-91.82	349.03	6.12	-85.70
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C=C2OC)C=C1C(=O)[O-]	REAL300000460017	0	39	-2.0	-103.53	361.64	5.56	-97.97
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000460018	0	38	-2.0	-93.32	353.68	5.98	-87.34
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000460019	0	35	-2.0	-108.02	337.25	5.37	-102.65
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000460020	0	34	-2.0	-101.55	330.16	3.47	-98.08
COC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000460021	0	32	-2.0	-91.85	333.72	4.31	-87.54
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C=C2OC)C=C(C(=O)[O-])O1	REAL300000460022	0	38	-2.0	-97.53	355.75	5.33	-92.20
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2S1	REAL300000460023	0	37	-2.0	-94.75	358.56	7.15	-87.60
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2S1	REAL300000460024	0	37	-2.0	-107.02	358.57	7.14	-99.88
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2S1	REAL300000460025	0	34	-2.0	-101.44	351.75	6.16	-95.28
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2S1	REAL300000460026	0	38	-2.0	-105.38	365.22	6.50	-98.88
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2S1	REAL300000460027	0	34	-2.0	-102.83	350.22	6.18	-96.65
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2S1	REAL300000460028	0	37	-2.0	-100.77	361.58	6.28	-94.49
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2S1	REAL300000460029	0	34	-2.0	-96.47	350.83	6.27	-90.20
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2S1	REAL300000460030	0	36	-2.0	-104.81	354.78	5.26	-99.55
O=C([O-])C1=CC(S(=O)(=O)N2CC(CO)CC3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000460052	0	42	-2.0	-112.42	361.91	5.29	-107.13
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC(CO)CC3=CC=CC=C32)=C1	REAL300000460070	0	40	-2.0	-112.69	340.48	3.39	-109.30
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1F	REAL300000460105	0	28	-2.0	-119.42	278.51	5.33	-114.09
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1F	REAL300000460106	0	31	-2.0	-99.28	303.58	4.71	-94.57
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1F	REAL300000460110	1	28	-2.0	-109.32	292.24	5.64	-103.68
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)=C1F	REAL300000460111	1	31	-2.0	-108.27	312.61	6.97	-101.30
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460112	1	29	-2.0	-120.42	288.11	5.34	-115.08
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000460117	0	38	-2.0	-100.58	355.03	4.14	-96.44
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000460118	0	31	-2.0	-107.45	303.08	5.58	-101.87
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=C1F	REAL300000460120	0	32	-2.0	-109.97	319.31	7.14	-102.83
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000460123	0	39	-2.0	-106.96	355.96	6.65	-100.31
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460123	1	38	-3.0	-178.12	358.08	6.71	-171.41
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460124	1	31	-2.0	-107.72	286.26	2.88	-104.84
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=C1F	REAL300000460125	0	25	-2.0	-105.08	283.62	4.78	-100.30
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1Cl	REAL300000460126	1	34	-2.0	-109.17	329.74	7.57	-101.60
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000460131	0	31	-2.0	-105.54	298.50	5.56	-99.98
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460132	1	36	-2.0	-119.86	327.75	4.14	-115.72
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460135	0	30	-2.0	-103.25	283.09	4.00	-99.25
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460137	0	31	-2.0	-111.88	298.61	5.55	-106.33
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1F	REAL300000460139	1	28	-2.0	-108.49	299.87	6.14	-102.35
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1F	REAL300000460143	1	31	-2.0	-115.77	295.89	6.45	-109.32
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)=C1F	REAL300000460146	1	31	-2.0	-107.49	322.21	6.64	-100.85
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460153	1	34	-2.0	-124.90	315.25	6.45	-118.45
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1F	REAL300000460155	1	28	-2.0	-110.95	298.33	6.08	-104.87
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000460160	0	35	-2.0	-109.44	324.50	5.35	-104.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460160	1	34	-3.0	-185.06	326.61	5.42	-179.64
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000460161	0	35	-2.0	-105.08	330.02	6.85	-98.23
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1F	REAL300000460162	1	28	-2.0	-113.40	293.61	6.38	-107.02
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1F	REAL300000460163	0	25	-2.0	-104.84	278.99	4.68	-100.16
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460165	1	32	-2.0	-118.84	298.27	4.85	-113.99
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000460166	0	34	-2.0	-105.61	314.46	6.08	-99.53
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460167	1	39	-2.0	-120.06	354.61	3.73	-116.33
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1F	REAL300000460168	1	28	-2.0	-108.00	288.07	5.25	-102.75
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1F	REAL300000460170	1	28	-2.0	-113.41	283.14	5.62	-107.79
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1F	REAL300000460175	0	25	-2.0	-110.38	261.94	4.06	-106.32
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1F	REAL300000460177	0	30	-2.0	-125.55	288.56	6.44	-119.11
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460178	0	31	-2.0	-97.07	310.61	5.72	-91.35
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460178	1	30	-3.0	-175.14	311.54	6.19	-168.95
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000460179	0	31	-2.0	-104.14	311.06	5.95	-98.19
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1F	REAL300000460182	1	28	-2.0	-108.65	281.92	5.19	-103.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460193	1	28	-2.0	-111.49	283.83	4.86	-106.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000460195	0	37	-2.0	-104.01	332.05	6.96	-97.05
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460196	1	32	-2.0	-112.00	315.00	5.37	-106.63
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=C1F	REAL300000460198	0	30	-2.0	-115.66	307.81	6.99	-108.67
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460199	0	31	-2.0	-103.94	302.15	5.25	-98.69
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460199	1	30	-3.0	-177.07	303.95	5.68	-171.39
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1F	REAL300000460200	1	25	-2.0	-103.72	292.85	5.21	-98.51
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1F	REAL300000460203	1	28	-2.0	-111.29	281.91	5.19	-106.10
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000460204	0	37	-2.0	-101.93	342.17	7.15	-94.78
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460213	0	27	-3.0	-175.16	291.66	4.63	-170.53
O=C([O-])C1=CSC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460213	1	28	-2.0	-106.95	293.42	4.65	-102.30
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000460216	0	34	-2.0	-102.84	315.00	6.41	-96.43
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460217	1	34	-2.0	-111.01	307.62	4.13	-106.88
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460227	1	37	-2.0	-124.32	342.17	6.73	-117.59
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=CS1	REAL300000460232	1	31	-2.0	-121.63	309.59	5.36	-116.27
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000460235	0	35	-2.0	-104.02	329.64	5.84	-98.18
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1F	REAL300000460240	1	28	-2.0	-116.90	275.51	5.12	-111.78
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460244	0	34	-2.0	-125.46	324.15	3.55	-121.91
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)=C2N=C1	REAL300000460245	1	36	-2.0	-128.59	331.35	6.33	-122.26
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1F	REAL300000460248	1	32	-2.0	-114.83	314.77	5.33	-109.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C([N+](=O)[O-])=C1	REAL300000460252	1	34	-2.0	-120.63	320.56	5.79	-114.84
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000460264	1	35	-2.0	-124.87	331.86	4.00	-120.87
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C1OC	REAL300000460268	1	36	-2.0	-112.84	334.22	4.33	-108.51
CN1C=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000460270	0	32	-2.0	-111.49	306.90	4.95	-106.54
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1Cl	REAL300000460271	0	28	-2.0	-118.78	287.48	4.62	-114.16
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000460274	0	35	-2.0	-104.84	323.79	4.45	-100.39
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460275	1	34	-2.0	-113.74	337.87	6.28	-107.46
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)C=N2)C=C1	REAL300000460288	1	38	-2.0	-110.75	351.98	6.85	-103.90
O=C([O-])C1=CC=CC([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C1F	REAL300000460289	1	35	-2.0	-105.01	329.52	5.49	-99.52
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460293	0	31	-2.0	-103.22	309.38	5.31	-97.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460293	1	30	-3.0	-170.74	307.58	5.30	-165.44
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000460296	0	37	-2.0	-102.43	331.02	6.95	-95.48
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1F	REAL300000460300	1	28	-2.0	-114.18	291.67	5.62	-108.56
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460303	1	34	-2.0	-106.61	326.48	5.52	-101.09
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)=C1F	REAL300000460307	1	28	-2.0	-105.54	310.34	6.88	-98.66
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460308	1	31	-2.0	-117.07	296.92	5.79	-111.28
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460311	0	33	-2.0	-124.01	308.40	7.40	-116.61
O=C([O-])C1=C(F)C([N-]S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)=CC=C1	REAL300000460312	1	36	-2.0	-113.73	335.29	4.31	-109.42
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(C(F)(F)F)=C1	REAL300000460313	1	32	-2.0	-107.49	316.60	6.84	-100.65
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460316	1	36	-2.0	-128.58	331.29	6.34	-122.24
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=CS1	REAL300000460319	0	28	-2.0	-109.66	291.60	4.65	-105.01
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1Cl	REAL300000460320	1	31	-2.0	-114.02	312.36	6.95	-107.07
COC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=CC(C(=O)[O-])=C1OC	REAL300000460321	0	39	-2.0	-114.87	356.90	5.37	-109.50
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=C1F	REAL300000460323	1	30	-2.0	-101.36	311.36	6.30	-95.06
COC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000460324	0	35	-2.0	-117.99	325.80	5.62	-112.37
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=C1F	REAL300000460327	0	25	-2.0	-108.90	282.32	4.62	-104.28
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1F	REAL300000460330	0	30	-2.0	-117.73	297.49	6.55	-111.18
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460331	1	42	-2.0	-121.89	380.47	3.86	-118.03
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460332	0	41	-2.0	-102.85	351.73	7.78	-95.07
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000460333	0	40	-2.0	-102.78	351.27	7.17	-95.61
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1F	REAL300000460335	0	30	-2.0	-121.55	303.41	6.43	-115.12
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460336	0	37	-2.0	-119.99	350.03	3.57	-116.42
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460341	1	32	-2.0	-102.61	296.83	3.73	-98.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000460342	0	37	-2.0	-102.13	331.75	7.30	-94.83
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1F	REAL300000460343	1	31	-2.0	-116.22	309.53	5.97	-110.25
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000460345	0	38	-2.0	-114.70	346.88	6.13	-108.57
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460345	1	37	-3.0	-190.30	348.89	6.19	-184.11
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=CC(C(=O)[O-])=C1	REAL300000460346	0	33	-3.0	-177.51	326.97	6.11	-171.40
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460347	0	31	-2.0	-105.56	317.89	4.82	-100.74
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460348	0	38	-2.0	-104.19	343.20	7.54	-96.65
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000460350	0	36	-2.0	-124.42	330.19	7.71	-116.71
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1F	REAL300000460352	0	28	-2.0	-109.39	284.92	5.40	-103.99
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460353	0	38	-2.0	-118.51	366.10	3.99	-114.52
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460354	0	38	-2.0	-109.94	363.53	4.04	-105.90
CC1=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C(C(=O)[O-])O1	REAL300000460355	0	31	-2.0	-99.52	301.06	4.29	-95.23
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C(C(=O)[O-])O1	REAL300000460355	1	30	-3.0	-171.86	301.48	4.75	-167.11
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1F	REAL300000460356	0	31	-2.0	-131.88	298.20	4.26	-127.62
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460357	1	34	-2.0	-116.54	330.27	5.77	-110.77
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460358	1	38	-2.0	-120.61	341.53	6.44	-114.17
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1F	REAL300000460362	0	30	-2.0	-124.10	303.73	7.21	-116.89
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1F	REAL300000460365	0	37	-2.0	-115.84	340.73	5.33	-110.51
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1F	REAL300000460367	1	27	-2.0	-103.63	286.33	3.86	-99.77
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460370	1	34	-2.0	-119.59	336.22	2.65	-116.94
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1F	REAL300000460371	0	30	-2.0	-127.69	296.03	6.69	-121.00
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460372	0	35	-2.0	-105.25	326.18	4.22	-101.03
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460372	1	34	-3.0	-187.76	327.39	4.71	-183.05
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1F	REAL300000460373	0	39	-2.0	-100.49	351.51	6.16	-94.33
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1F	REAL300000460374	1	35	-2.0	-111.14	330.57	6.17	-104.97
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1F	REAL300000460375	1	38	-2.0	-110.35	355.98	6.62	-103.73
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C(Cl)C=C1F	REAL300000460376	0	31	-2.0	-96.59	315.13	5.75	-90.84
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1F	REAL300000460377	1	27	-2.0	-103.53	271.41	3.33	-100.20
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)=C1F	REAL300000460378	1	28	-2.0	-111.28	296.81	5.75	-105.53
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460381	0	31	-2.0	-110.84	318.06	4.72	-106.12
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)=C1F	REAL300000460384	0	34	-2.0	-113.31	342.83	5.81	-107.50
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1F	REAL300000460385	1	27	-2.0	-105.14	295.16	4.19	-100.95
CC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=CC=C1OCC(=O)[O-]	REAL300000460386	0	38	-2.0	-104.42	349.72	6.55	-97.87
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)C=C12	REAL300000460389	1	32	-2.0	-103.29	309.76	2.04	-101.25
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000460390	1	28	-2.0	-101.76	285.97	3.58	-98.18
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1F	REAL300000460392	1	28	-2.0	-115.31	281.78	5.19	-110.12
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000460393	0	32	-2.0	-114.79	308.00	4.63	-110.16
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460394	1	34	-2.0	-119.19	331.96	6.97	-112.22
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1F	REAL300000460395	0	30	-2.0	-117.77	307.83	7.00	-110.77
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000460396	0	34	-2.0	-96.56	317.16	5.98	-90.58
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1F	REAL300000460397	1	34	-2.0	-117.91	313.15	4.70	-113.21
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=CN1C	REAL300000460398	0	31	-2.0	-121.22	293.54	3.96	-117.26
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000460399	0	35	-2.0	-105.44	335.87	5.90	-99.54
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1F	REAL300000460400	1	32	-2.0	-114.47	308.02	5.11	-109.36
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000460402	1	31	-2.0	-109.51	296.09	3.63	-105.88
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)=CN=C21	REAL300000460404	1	36	-2.0	-104.11	339.69	2.47	-101.64
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460406	1	34	-2.0	-119.13	321.63	6.52	-112.61
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=C1F	REAL300000460407	0	36	-2.0	-120.27	335.58	5.63	-114.64
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=C1F	REAL300000460408	1	31	-2.0	-110.34	314.57	6.13	-104.21
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1F	REAL300000460410	0	28	-2.0	-111.90	302.07	5.16	-106.74
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000460411	0	38	-2.0	-112.74	347.60	6.53	-106.21
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1F	REAL300000460414	1	28	-2.0	-108.29	289.54	5.69	-102.60
O=C([O-])C1=CC=CC([N-]S(=O)(=O)CCOCC(F)(F)F)=C1F	REAL300000460416	1	31	-2.0	-105.90	308.32	3.31	-102.59
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460421	0	34	-2.0	-116.00	331.62	3.29	-112.71
O=C([O-])C1=CC=CC([N-]S(=O)(=O)CC2CCCO2)=C1F	REAL300000460423	1	32	-2.0	-113.04	289.37	3.28	-109.76
O=C([O-])C1=CC=CC([N-]S(=O)(=O)CC2CCCCO2)=C1F	REAL300000460424	1	35	-2.0	-111.90	306.86	4.35	-107.55
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C(F)C=C1F	REAL300000460427	1	34	-2.0	-105.68	334.81	5.80	-99.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000460428	1	31	-2.0	-116.52	296.92	5.80	-110.72
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)O1	REAL300000460431	0	31	-2.0	-106.46	309.55	3.85	-102.61
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1F	REAL300000460432	1	33	-2.0	-128.48	309.94	5.69	-122.79
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=C1F	REAL300000460433	0	34	-2.0	-117.05	336.43	5.74	-111.31
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1F	REAL300000460434	1	28	-2.0	-103.61	288.18	5.24	-98.37
CC1=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C(C(=O)[O-])S1	REAL300000460435	0	31	-2.0	-101.25	307.08	5.05	-96.20
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460437	1	32	-2.0	-113.70	312.61	4.92	-108.78
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460439	0	34	-2.0	-118.85	328.17	2.64	-116.21
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460445	1	40	-2.0	-111.46	348.11	5.69	-105.77
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)SC=C1	REAL300000460446	1	28	-2.0	-111.70	278.24	4.88	-106.82
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000460448	1	37	-2.0	-111.08	329.44	4.99	-106.09
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C1[N+](=O)[O-]	REAL300000460456	1	33	-2.0	-110.26	319.69	6.32	-103.94
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460461	0	32	-2.0	-113.73	307.65	5.53	-108.20
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000460467	1	29	-2.0	-108.11	296.31	5.52	-102.59
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)=C1F	REAL300000460468	1	31	-2.0	-115.67	308.45	7.10	-108.57
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000460470	1	34	-2.0	-109.65	314.77	4.14	-105.51
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460471	1	33	-2.0	-129.16	312.52	1.52	-127.64
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000460473	1	34	-2.0	-114.45	329.38	3.83	-110.62
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=CN1	REAL300000460474	0	34	-2.0	-121.09	313.98	3.49	-117.60
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C([N+](=O)[O-])=C1	REAL300000460475	0	31	-2.0	-115.04	311.84	6.87	-108.17
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=NN1C1=CC=CC=N1	REAL300000460477	1	37	-2.0	-114.26	344.57	6.30	-107.96
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000460478	1	39	-2.0	-107.14	352.60	4.70	-102.44
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460479	1	32	-2.0	-110.49	326.83	6.34	-104.15
CC(C)OCCS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460482	1	34	-2.0	-106.25	309.02	3.58	-102.67
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C(Cl)=C1	REAL300000460485	0	31	-2.0	-93.85	310.59	5.72	-88.13
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000460486	0	31	-2.0	-107.67	302.95	5.59	-102.08
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=C1F	REAL300000460488	1	35	-2.0	-114.27	334.97	6.33	-107.94
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460489	0	28	-2.0	-110.03	304.20	5.42	-104.61
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000460495	1	39	-2.0	-115.75	357.75	5.81	-109.94
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=C1F	REAL300000460496	1	31	-2.0	-105.34	314.83	3.13	-102.21
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460497	0	28	-2.0	-102.91	292.50	4.76	-98.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460497	1	27	-3.0	-169.36	290.73	4.75	-164.61
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460498	0	37	-2.0	-121.83	334.72	6.02	-115.81
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460499	0	31	-2.0	-100.68	305.03	5.62	-95.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000460500	0	34	-2.0	-104.61	322.43	5.88	-98.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000460500	1	33	-3.0	-178.71	324.22	6.31	-172.40
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000460503	0	31	-2.0	-110.68	302.12	5.26	-105.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000460503	1	30	-3.0	-167.95	303.93	5.69	-162.26
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000460504	0	31	-2.0	-104.07	310.94	5.95	-98.12
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=CS1	REAL300000460508	1	31	-2.0	-111.16	317.28	4.74	-106.42
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460510	0	30	-2.0	-109.17	295.23	3.63	-105.54
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=CC=C1[O-]	REAL300000460513	1	36	-2.0	-101.29	332.04	1.94	-99.35
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000460516	0	34	-2.0	-97.31	325.87	6.37	-90.94
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460518	0	28	-2.0	-105.81	303.22	5.38	-100.43
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=C1F	REAL300000460520	0	31	-2.0	-109.19	325.64	6.99	-102.20
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000460523	0	39	-2.0	-103.07	362.25	6.96	-96.11
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460524	0	34	-2.0	-107.57	327.90	4.51	-103.06
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=CC(F)=C1F	REAL300000460526	0	31	-2.0	-106.85	309.40	5.65	-101.20
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460527	0	33	-2.0	-101.70	326.80	6.23	-95.47
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=C1F	REAL300000460528	1	31	-2.0	-114.06	323.36	6.93	-107.13
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460529	1	38	-2.0	-120.34	352.95	5.51	-114.83
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C(F)C=C1F	REAL300000460532	1	31	-2.0	-108.78	302.22	5.82	-102.96
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=C1F	REAL300000460533	1	34	-2.0	-120.26	321.78	8.12	-112.14
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1F	REAL300000460535	1	30	-2.0	-110.03	302.02	4.54	-105.49
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C1[N+](=O)[O-]	REAL300000460536	1	33	-2.0	-107.81	327.36	6.81	-101.00
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460538	0	35	-2.0	-111.48	347.86	4.14	-107.34
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460540	0	31	-3.0	-185.02	302.60	4.17	-180.85
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460540	1	32	-2.0	-103.12	309.90	3.38	-99.74
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460542	1	33	-2.0	-114.43	333.94	4.44	-109.99
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000460543	0	34	-2.0	-101.26	320.77	6.34	-94.92
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)O1	REAL300000460545	0	34	-2.0	-106.65	331.41	4.78	-101.87
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460547	1	33	-2.0	-120.69	325.84	6.11	-114.58
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460550	1	31	-2.0	-122.14	312.75	5.76	-116.38
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)SC=C1	REAL300000460551	0	29	-2.0	-118.94	292.18	3.35	-115.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)OC2=CC=C(F)C=C12	REAL300000460553	0	34	-2.0	-112.82	326.76	6.16	-106.66
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1F	REAL300000460554	0	31	-2.0	-114.57	299.77	5.45	-109.12
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)C=CC=C2C=C1	REAL300000460555	1	36	-2.0	-130.41	331.52	6.30	-124.11
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C2=CC(Cl)=CC=C2S1	REAL300000460556	1	34	-2.0	-113.30	337.61	7.93	-105.37
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)SC2=CC=CC(F)=C12	REAL300000460561	1	34	-2.0	-115.23	327.50	7.26	-107.97
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000460563	1	33	-2.0	-109.51	324.02	6.44	-103.07
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460564	0	30	-2.0	-117.33	303.26	3.81	-113.52
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)C=NC2=C1Cl	REAL300000460566	1	33	-2.0	-102.70	331.00	5.01	-97.69
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)=C1F	REAL300000460567	1	28	-2.0	-115.86	289.65	6.00	-109.86
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460569	1	28	-2.0	-102.44	284.99	4.01	-98.43
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)N=C1Cl	REAL300000460570	0	28	-2.0	-115.02	290.19	3.89	-111.13
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=CC(Cl)=C1F	REAL300000460572	0	31	-2.0	-106.92	319.29	6.08	-100.84
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1F	REAL300000460573	1	29	-2.0	-117.93	285.85	3.80	-114.13
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000460574	0	36	-2.0	-125.83	320.30	7.89	-117.94
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)S2)=CS1	REAL300000460575	0	34	-2.0	-111.57	349.47	5.61	-105.96
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460576	1	29	-2.0	-103.08	292.23	2.89	-100.19
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460577	0	27	-2.0	-108.34	278.54	2.89	-105.45
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000460580	0	34	-2.0	-114.08	309.52	6.27	-107.81
COCCOCCS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460581	1	35	-2.0	-108.73	322.38	2.10	-106.63
CC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=CC(C(=O)[O-])=C1F	REAL300000460583	0	34	-2.0	-108.21	323.39	6.21	-102.00
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000460584	0	34	-2.0	-105.30	315.02	6.41	-98.89
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460585	1	34	-2.0	-121.35	328.94	6.17	-115.18
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000460587	0	29	-2.0	-108.75	299.31	5.74	-103.01
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000460589	1	31	-2.0	-111.24	302.20	5.83	-105.41
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=CC=C1[N+](=O)[O-]	REAL300000460590	1	34	-2.0	-101.83	325.55	5.80	-96.03
CC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=CC(C(=O)[O-])=C1C	REAL300000460591	0	37	-2.0	-112.75	331.13	6.60	-106.15
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=CC=C1[N+](=O)[O-]	REAL300000460594	0	33	-2.0	-119.56	325.03	6.65	-112.91
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1F	REAL300000460595	0	31	-2.0	-109.12	315.33	6.55	-102.57
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460597	0	31	-2.0	-101.63	308.49	5.30	-96.33
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460597	1	30	-3.0	-168.98	310.21	5.75	-163.23
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460599	1	34	-2.0	-116.75	331.97	6.96	-109.79
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1F	REAL300000460600	0	27	-2.0	-109.62	288.99	4.51	-105.11
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460601	0	34	-2.0	-118.99	315.45	5.44	-113.55
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000460602	1	33	-2.0	-104.01	320.75	3.89	-100.12
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1F	REAL300000460603	1	27	-2.0	-101.62	295.43	4.23	-97.39
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C(C)=C1C(=O)[O-]	REAL300000460604	0	37	-2.0	-119.13	333.45	7.01	-112.12
CC1=CC(F)=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000460605	0	34	-2.0	-105.31	322.07	5.89	-99.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000460605	1	33	-3.0	-178.50	319.95	6.22	-172.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1Cl	REAL300000460606	0	34	-2.0	-97.53	329.30	6.29	-91.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1Cl	REAL300000460606	1	33	-3.0	-177.15	330.25	6.76	-170.39
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460607	0	34	-2.0	-128.88	321.78	5.87	-123.01
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460607	1	33	-3.0	-190.99	323.51	6.31	-184.68
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1F	REAL300000460608	0	28	-2.0	-100.30	297.25	5.52	-94.78
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000460610	1	35	-2.0	-108.05	329.76	2.68	-105.37
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C([N+](=O)[O-])=N1	REAL300000460611	0	33	-2.0	-118.71	320.33	5.89	-112.82
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)=C1F	REAL300000460612	1	28	-2.0	-107.52	292.90	5.83	-101.69
CCC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000460614	0	37	-2.0	-105.78	332.81	6.74	-99.04
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1F	REAL300000460615	1	39	-2.0	-109.43	347.17	3.59	-105.84
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1C#N	REAL300000460618	1	32	-2.0	-121.48	307.28	5.85	-115.63
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)=C1F	REAL300000460619	1	31	-2.0	-104.87	321.89	6.62	-98.25
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000460620	0	34	-2.0	-91.79	317.08	5.11	-86.68
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460621	1	37	-2.0	-111.86	343.00	6.71	-105.15
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460622	0	34	-2.0	-121.11	317.50	5.80	-115.31
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1F	REAL300000460623	1	36	-2.0	-107.83	328.05	2.80	-105.03
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460625	1	36	-2.0	-110.97	343.44	7.12	-103.85
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000460626	1	31	-2.0	-117.98	295.82	5.77	-112.21
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1F	REAL300000460628	0	35	-2.0	-122.00	315.79	5.09	-116.91
COC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1CC(=O)[O-]	REAL300000460629	0	38	-2.0	-106.14	348.98	5.68	-100.46
COC1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460631	1	33	-2.0	-107.23	303.68	2.89	-104.34
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1Cl	REAL300000460632	1	31	-2.0	-114.39	301.87	6.21	-108.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C(C)O1	REAL300000460634	1	31	-2.0	-109.42	292.96	4.64	-104.78
O=C([O-])C1=C(F)C([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)=CC=C1	REAL300000460635	1	34	-2.0	-118.20	316.26	2.72	-115.48
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C(C(=O)OC)O1	REAL300000460640	1	37	-2.0	-105.25	346.99	5.47	-99.78
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460642	1	31	-2.0	-112.40	302.23	5.42	-106.98
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C2=NC=CC=C2C=C1	REAL300000460644	1	36	-2.0	-128.51	323.64	6.82	-121.69
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460647	1	34	-2.0	-116.07	321.64	6.52	-109.55
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1F	REAL300000460648	1	30	-2.0	-99.47	302.74	5.74	-93.73
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000460649	0	34	-2.0	-95.64	322.63	6.34	-89.30
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C(C)O1	REAL300000460651	1	34	-2.0	-105.56	327.85	4.62	-100.94
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1F	REAL300000460652	1	27	-2.0	-103.69	281.76	3.75	-99.94
CC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=CC(C(=O)[O-])=C1Cl	REAL300000460653	0	34	-2.0	-105.04	329.78	6.51	-98.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)N=C1C	REAL300000460654	0	34	-2.0	-121.27	315.62	4.84	-116.43
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460656	1	31	-2.0	-113.70	304.55	6.29	-107.41
CCN1C=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000460657	0	35	-2.0	-112.60	328.28	5.84	-106.76
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460658	0	31	-2.0	-110.57	309.89	3.80	-106.77
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460659	1	40	-2.0	-112.31	349.49	5.62	-106.69
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1F	REAL300000460662	0	28	-2.0	-116.44	286.07	5.86	-110.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(Cl)=N1	REAL300000460663	1	30	-2.0	-111.73	299.91	4.37	-107.36
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460664	1	33	-2.0	-110.53	319.05	5.25	-105.28
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)=C1F	REAL300000460665	1	35	-2.0	-112.94	335.07	6.25	-106.69
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460667	0	30	-2.0	-107.93	300.02	3.64	-104.29
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)C=C12	REAL300000460668	1	35	-2.0	-102.60	331.25	2.76	-99.84
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460669	0	30	-2.0	-106.62	308.14	5.39	-101.23
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=CN=C1Cl	REAL300000460671	1	31	-2.0	-102.24	310.86	3.02	-99.22
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1F	REAL300000460674	1	30	-2.0	-101.90	304.74	4.29	-97.61
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C(C)=C1CC(=O)[O-]	REAL300000460676	0	43	-2.0	-103.20	357.85	7.83	-95.37
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460678	1	43	-2.0	-111.32	368.35	6.51	-104.81
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(Cl)=C1	REAL300000460680	1	29	-2.0	-105.27	303.90	6.02	-99.25
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1F	REAL300000460681	1	31	-2.0	-121.09	297.94	5.37	-115.72
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460682	1	33	-2.0	-108.61	319.96	3.91	-104.70
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460683	1	39	-2.0	-121.49	360.15	5.16	-116.33
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1F	REAL300000460684	0	25	-2.0	-106.14	274.39	3.78	-102.36
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C(C2=CC=CC=C2)S1	REAL300000460685	0	37	-2.0	-120.34	351.31	6.61	-113.73
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C(C2=CC=CC=C2)O1	REAL300000460686	0	37	-2.0	-124.04	346.05	4.03	-120.01
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1F	REAL300000460689	0	28	-2.0	-108.81	291.08	5.47	-103.34
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1F	REAL300000460694	1	28	-2.0	-105.31	305.19	6.17	-99.14
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460695	0	28	-2.0	-105.51	299.00	5.28	-100.23
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(OC)=C1	REAL300000460696	1	38	-2.0	-113.47	353.00	5.51	-107.96
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1F	REAL300000460698	1	31	-2.0	-107.69	314.25	6.13	-101.56
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1F	REAL300000460700	1	31	-2.0	-109.21	309.08	3.91	-105.30
COC(=O)C(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F)C1=CC=CC=C1	REAL300000460703	1	40	-2.0	-116.30	360.36	7.84	-108.46
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1F	REAL300000460704	1	36	-2.0	-107.29	339.44	6.32	-100.97
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(C)=CS1	REAL300000460706	1	34	-2.0	-122.01	325.23	6.23	-115.78
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1F	REAL300000460708	0	27	-2.0	-119.11	282.70	5.46	-113.65
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460709	1	36	-2.0	-117.65	343.42	7.12	-110.53
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460710	0	27	-2.0	-99.94	263.43	1.52	-98.42
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1F	REAL300000460712	1	27	-2.0	-103.29	291.18	4.82	-98.47
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1F	REAL300000460717	1	32	-2.0	-115.75	298.14	4.49	-111.26
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460718	1	29	-2.0	-108.14	303.92	6.02	-102.12
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1F	REAL300000460719	1	31	-2.0	-108.83	313.96	4.13	-104.70
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460721	1	36	-2.0	-125.58	323.98	5.57	-120.01
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460723	1	31	-2.0	-116.47	289.61	6.03	-110.44
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)=C1F	REAL300000460725	1	32	-2.0	-125.98	308.40	5.13	-120.85
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460726	1	41	-2.0	-111.26	360.22	6.51	-104.75
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)=C1F	REAL300000460727	1	28	-2.0	-109.20	296.81	5.75	-103.45
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)C=CC=C12	REAL300000460728	1	36	-2.0	-128.47	327.89	6.24	-122.23
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1F	REAL300000460731	1	29	-2.0	-119.37	294.78	3.36	-116.01
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460732	1	31	-2.0	-109.04	294.58	2.53	-106.51
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)=C1F	REAL300000460733	1	28	-2.0	-113.90	296.09	5.73	-108.17
COCCOCCOCCS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460735	1	42	-2.0	-110.80	377.86	2.43	-108.37
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460738	1	34	-2.0	-110.04	320.45	6.33	-103.71
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000460739	0	34	-2.0	-106.84	332.33	6.62	-100.22
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460741	1	37	-2.0	-125.79	337.11	7.38	-118.41
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460742	1	36	-2.0	-108.52	324.00	3.27	-105.25
O=C([O-])C1=C(F)C([N-]S(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)=CC=C1	REAL300000460743	1	34	-2.0	-119.22	331.22	6.61	-112.61
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460745	0	31	-2.0	-115.71	314.96	2.55	-113.16
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000460750	1	33	-2.0	-115.55	326.78	0.67	-114.88
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1F	REAL300000460753	1	28	-2.0	-106.39	299.87	6.13	-100.26
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(N)=NO1	REAL300000460755	0	29	-2.0	-103.10	277.54	2.42	-100.68
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F)OCC(=O)N2	REAL300000460756	1	38	-2.0	-115.18	348.97	2.08	-113.10
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=C1F	REAL300000460757	1	28	-2.0	-104.74	300.01	6.44	-98.30
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460758	1	32	-2.0	-114.57	315.00	5.36	-109.21
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=NO1	REAL300000460761	1	39	-2.0	-111.49	351.26	5.85	-105.64
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)=C1F	REAL300000460765	1	30	-2.0	-103.44	319.88	6.30	-97.14
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460766	0	26	-2.0	-103.04	282.52	4.61	-98.43
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)=C1F	REAL300000460767	0	30	-2.0	-100.12	316.17	6.17	-93.95
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000460770	1	34	-2.0	-111.42	330.26	5.79	-105.63
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460772	1	36	-2.0	-120.41	346.15	6.90	-113.51
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1F	REAL300000460774	1	27	-2.0	-98.56	287.74	3.74	-94.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000460775	1	32	-2.0	-114.23	304.99	4.42	-109.81
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1[N+](=O)[O-]	REAL300000460776	0	36	-2.0	-124.00	330.79	8.24	-115.76
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1F	REAL300000460778	1	34	-2.0	-111.14	315.74	5.57	-105.57
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)=C1F	REAL300000460779	0	32	-2.0	-117.30	317.78	5.93	-111.37
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)N(C)N=C1	REAL300000460783	1	31	-2.0	-105.61	286.87	3.52	-102.09
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460784	1	37	-2.0	-115.92	352.13	6.70	-109.22
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)O1	REAL300000460787	0	26	-2.0	-104.14	273.93	3.60	-100.54
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C(F)C=C1C	REAL300000460788	1	40	-2.0	-111.46	368.15	7.24	-104.22
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460791	1	39	-2.0	-121.08	353.33	4.58	-116.50
CC1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=CC=C1C(=O)[O-]	REAL300000460792	0	34	-2.0	-105.24	315.17	6.11	-99.13
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1F	REAL300000460794	1	28	-2.0	-111.47	292.24	5.64	-105.83
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460796	0	39	-2.0	-109.52	348.14	6.17	-103.35
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460797	1	37	-2.0	-113.91	347.54	7.84	-106.07
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460798	1	37	-2.0	-113.50	343.36	7.54	-105.96
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)=C1F	REAL300000460799	1	31	-2.0	-110.18	312.62	6.96	-103.22
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C1F	REAL300000460800	1	31	-2.0	-114.10	306.50	6.42	-107.68
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460802	1	34	-2.0	-125.43	330.71	7.09	-118.34
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)N(C)N=C1	REAL300000460803	0	37	-2.0	-112.15	340.07	5.11	-107.04
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460804	1	41	-2.0	-119.95	374.81	6.43	-113.52
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)=C2O1	REAL300000460806	1	39	-2.0	-124.41	347.73	6.28	-118.13
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1F	REAL300000460808	1	31	-2.0	-116.53	296.61	3.69	-112.84
N#CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460809	1	29	-2.0	-117.02	307.80	5.84	-111.18
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1F	REAL300000460812	0	28	-2.0	-112.87	292.38	5.92	-106.95
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460813	1	34	-2.0	-136.05	314.41	2.64	-133.41
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1F	REAL300000460815	0	25	-2.0	-109.71	277.99	4.51	-105.20
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460816	0	28	-2.0	-110.56	283.58	4.72	-105.84
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1F	REAL300000460818	0	25	-2.0	-108.24	268.30	1.86	-106.38
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=C1F	REAL300000460819	1	33	-2.0	-119.79	324.53	6.12	-113.67
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1F	REAL300000460820	1	27	-2.0	-107.60	276.93	3.18	-104.42
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460822	1	37	-2.0	-106.75	334.54	4.11	-102.64
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C([N+](=O)[O-])=C1	REAL300000460824	0	35	-3.0	-173.92	341.73	7.81	-166.11
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C([N+](=O)[O-])=C1	REAL300000460824	1	36	-2.0	-98.83	337.16	7.33	-91.50
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1F	REAL300000460827	0	31	-2.0	-108.74	306.19	5.52	-103.22
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1F	REAL300000460828	0	31	-2.0	-114.38	321.30	7.11	-107.27
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460829	1	33	-2.0	-121.53	311.17	4.64	-116.89
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460830	0	27	-2.0	-104.91	278.50	3.36	-101.55
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])=C1F	REAL300000460831	0	30	-2.0	-109.36	311.12	7.02	-102.34
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1F	REAL300000460833	0	32	-2.0	-94.04	314.14	4.07	-89.97
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=C1F	REAL300000460834	1	34	-2.0	-107.34	325.93	6.45	-100.89
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)=C1F	REAL300000460835	1	30	-2.0	-103.89	318.79	4.85	-99.04
O=C([O-])C1=CC=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1F	REAL300000460836	1	32	-2.0	-136.90	301.16	2.33	-134.57
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1F	REAL300000460838	0	25	-2.0	-111.45	268.29	4.10	-107.35
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1F	REAL300000460840	1	34	-2.0	-124.91	330.84	3.48	-121.43
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(C(F)(F)F)=N1	REAL300000460841	0	31	-2.0	-112.47	308.65	3.91	-108.56
COC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F)C1=CC=CC=C1	REAL300000460844	1	38	-2.0	-111.53	344.78	6.15	-105.38
COC(=O)C1(CS(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)CCCCC1	REAL300000460845	1	43	-2.0	-113.96	355.57	6.61	-107.35
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C(F)C=C1[N+](=O)[O-]	REAL300000460846	1	33	-2.0	-104.79	322.36	6.42	-98.37
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000460847	0	34	-2.0	-103.62	316.54	5.98	-97.64
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1F	REAL300000460848	1	29	-2.0	-111.07	302.89	4.35	-106.72
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1F	REAL300000460849	0	32	-3.0	-194.79	322.20	7.47	-187.32
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1F	REAL300000460849	1	33	-2.0	-111.82	321.10	6.99	-104.83
COCC1(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)CC1	REAL300000460850	1	32	-2.0	-113.82	291.56	4.10	-109.72
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)=C1F	REAL300000460851	1	32	-2.0	-112.52	321.29	4.92	-107.60
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460853	1	28	-2.0	-135.27	275.36	0.98	-134.29
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C(F)C=C1C	REAL300000460854	1	37	-2.0	-111.29	346.28	6.32	-104.97
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1F	REAL300000460855	0	28	-2.0	-103.35	302.59	5.25	-98.10
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1F	REAL300000460856	0	33	-2.0	-116.78	307.00	1.97	-114.81
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460857	1	31	-2.0	-112.87	300.12	5.69	-107.18
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1F	REAL300000460859	1	29	-2.0	-101.69	293.39	3.91	-97.78
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C(Br)N1C	REAL300000460861	0	31	-2.0	-121.49	311.72	4.44	-117.05
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=NN1C	REAL300000460868	1	31	-2.0	-109.37	290.67	3.29	-106.08
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460871	1	31	-2.0	-110.37	293.39	3.41	-106.96
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460873	1	28	-2.0	-102.94	285.86	3.65	-99.29
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460875	1	36	-2.0	-108.95	318.29	5.03	-103.92
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1F	REAL300000460877	0	28	-2.0	-109.57	285.66	2.59	-106.98
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1F	REAL300000460878	0	34	-2.0	-107.13	316.30	4.98	-102.15
COC(=O)C1(CS(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)CCCC1	REAL300000460881	1	40	-2.0	-113.19	343.23	6.20	-106.99
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000460883	1	36	-2.0	-114.18	343.76	4.72	-109.46
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1F	REAL300000460884	1	36	-2.0	-103.17	341.15	3.63	-99.54
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=C1F	REAL300000460886	1	31	-2.0	-107.87	307.23	2.63	-105.24
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000460889	0	32	-2.0	-119.74	321.59	1.70	-118.04
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000460890	0	31	-2.0	-128.57	300.42	5.21	-123.36
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000460890	1	30	-3.0	-190.21	302.11	5.65	-184.56
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1F	REAL300000460891	0	25	-2.0	-117.10	270.47	3.00	-114.10
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1F	REAL300000460892	1	30	-2.0	-122.92	301.21	4.47	-118.45
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1F	REAL300000460895	1	34	-2.0	-120.63	320.52	7.37	-113.26
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1F	REAL300000460896	1	31	-2.0	-116.52	310.15	4.13	-112.39
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460897	1	34	-2.0	-120.18	338.42	6.59	-113.59
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1F	REAL300000460900	1	32	-2.0	-109.27	314.43	5.18	-104.09
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1F	REAL300000460901	1	33	-2.0	-122.07	306.32	4.88	-117.19
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)=C1F	REAL300000460904	1	32	-2.0	-109.51	324.75	5.63	-103.88
CCC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F)OC	REAL300000460905	1	34	-2.0	-109.86	302.34	3.72	-106.14
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460906	1	41	-2.0	-111.36	358.69	6.50	-104.86
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460907	1	40	-2.0	-110.84	341.50	4.97	-105.87
O=C([O-])C1=CC=CC([N-]S(=O)(=O)CCOCC2CC2)=C1F	REAL300000460908	1	35	-2.0	-106.21	320.42	4.43	-101.78
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000460910	0	31	-2.0	-118.51	299.92	6.01	-112.50
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1F	REAL300000460911	1	27	-2.0	-104.66	295.05	4.26	-100.40
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1Br	REAL300000460912	0	28	-2.0	-106.05	293.57	3.21	-102.84
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F)C1=CC=CC=C1	REAL300000460914	1	35	-2.0	-133.38	332.19	3.77	-129.61
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000460915	0	34	-2.0	-106.27	323.56	6.22	-100.05
COC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F)C1CC1	REAL300000460916	1	35	-2.0	-110.41	312.81	4.45	-105.96
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460917	1	32	-2.0	-114.68	304.67	4.91	-109.77
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460920	1	44	-2.0	-120.27	374.44	7.17	-113.10
COC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F)C1CCOCC1	REAL300000460921	1	42	-2.0	-112.51	351.85	3.72	-108.79
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460923	0	27	-2.0	-103.08	268.77	2.97	-100.11
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC([O-])=CC(C(F)(F)F)=C2)=C1F	REAL300000460924	1	32	-2.0	-99.44	316.70	3.93	-95.51
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460928	1	37	-2.0	-117.18	350.57	6.41	-110.77
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C([N+](=O)[O-])S1	REAL300000460929	0	30	-2.0	-119.13	304.59	6.25	-112.88
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460930	1	33	-2.0	-128.26	309.38	0.90	-127.36
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)=C1F	REAL300000460931	1	30	-2.0	-102.81	308.51	5.06	-97.75
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1F	REAL300000460933	0	27	-2.0	-115.06	270.52	3.23	-111.83
O=C([O-])C1=CC=CC([N-]S(=O)(=O)CCOCC2CCC2)=C1F	REAL300000460937	1	38	-2.0	-106.21	336.99	4.96	-101.25
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=C1F	REAL300000460938	0	30	-2.0	-110.28	320.60	5.04	-105.24
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=CS1	REAL300000460939	1	26	-2.0	-115.63	280.41	4.45	-111.18
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460940	1	35	-2.0	-116.26	337.78	6.80	-109.46
COC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F)C(C)C	REAL300000460942	1	37	-2.0	-110.72	319.52	4.26	-106.46
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1F	REAL300000460944	1	37	-2.0	-120.03	331.70	5.41	-114.62
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1F	REAL300000460946	1	36	-2.0	-121.29	322.19	6.26	-115.03
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460947	1	38	-2.0	-112.54	343.49	4.03	-108.51
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000460948	1	37	-2.0	-110.92	352.12	6.71	-104.21
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)S2)C1	REAL300000460953	0	39	-2.0	-112.16	361.25	5.59	-106.57
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(=O)NC1=O	REAL300000460957	0	31	-2.0	-116.57	298.42	1.74	-114.83
CC(C)OC1(CS(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)CCOC1	REAL300000460958	0	42	-2.0	-111.38	345.88	4.10	-107.28
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)N(C)N=C1	REAL300000460961	0	34	-2.0	-111.84	318.21	4.19	-107.65
COC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F)C1=CC=C(F)C=C1	REAL300000460964	1	38	-2.0	-109.05	351.19	6.22	-102.83
CCOC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F)C1CC1	REAL300000460965	1	38	-2.0	-110.79	333.43	5.41	-105.38
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)=C1F	REAL300000460966	1	35	-2.0	-120.45	336.52	6.85	-113.60
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)N1C	REAL300000460967	1	31	-2.0	-110.02	289.40	4.02	-106.00
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000460968	1	34	-2.0	-113.74	334.83	5.80	-107.94
COC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F)C1CCCC1	REAL300000460970	1	41	-2.0	-108.05	343.68	5.40	-102.65
COC(CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F)C1CCCCC1	REAL300000460971	1	44	-2.0	-108.64	360.26	5.94	-102.70
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=C1F	REAL300000460972	1	41	-2.0	-108.93	370.95	7.37	-101.56
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000460973	0	33	-2.0	-116.79	317.81	7.18	-109.61
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=CN1CC1CC1	REAL300000460974	0	41	-2.0	-124.11	368.88	6.99	-117.12
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)O1	REAL300000460975	0	34	-2.0	-107.19	327.45	4.43	-102.76
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1F	REAL300000460977	0	31	-2.0	-108.90	309.76	4.56	-104.34
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1F	REAL300000460980	0	37	-2.0	-112.72	339.30	7.67	-105.05
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460981	1	31	-2.0	-99.10	310.61	3.72	-95.38
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1F	REAL300000460982	0	27	-2.0	-108.20	287.39	3.66	-104.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1F	REAL300000460985	1	31	-2.0	-115.34	302.09	5.84	-109.50
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)=C1F	REAL300000460986	0	27	-2.0	-108.28	291.98	3.73	-104.55
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)OC=C1	REAL300000460987	0	31	-2.0	-118.38	303.40	4.43	-113.95
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000460989	0	30	-2.0	-123.84	298.37	3.95	-119.89
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(C)=N1	REAL300000460990	1	40	-2.0	-110.00	357.92	5.82	-104.18
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460991	1	41	-2.0	-111.31	366.79	7.07	-104.24
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460992	0	29	-3.0	-175.15	295.46	3.67	-171.48
O=C([O-])C1=CC=NC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000460992	1	30	-2.0	-98.36	294.64	3.83	-94.53
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000460993	1	32	-2.0	-110.30	302.80	5.20	-105.10
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F)C1=CC=CC=C1F	REAL300000460997	1	35	-2.0	-131.23	338.85	3.97	-127.26
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1C(F)(F)F	REAL300000460998	0	31	-2.0	-106.95	303.15	3.68	-103.27
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1F	REAL300000460999	1	30	-2.0	-111.28	293.28	4.10	-107.18
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1F	REAL300000461000	1	32	-2.0	-119.88	303.75	5.02	-114.86
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461001	1	38	-2.0	-109.24	331.01	5.17	-104.07
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(C(C)(C)C)=N1	REAL300000461002	1	40	-2.0	-109.45	338.37	5.67	-103.78
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1F	REAL300000461004	1	38	-2.0	-109.89	337.41	5.40	-104.49
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461005	0	31	-2.0	-103.66	304.30	3.95	-99.71
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(Br)=N1	REAL300000461006	0	28	-2.0	-110.46	295.21	3.26	-107.20
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2(COCC3=CC=CC=C3)CC2)=C1F	REAL300000461008	1	42	-2.0	-110.85	355.97	7.47	-103.38
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F)C1CCCCC1	REAL300000461009	1	41	-2.0	-134.71	357.65	4.46	-130.25
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1F	REAL300000461010	0	29	-2.0	-101.34	280.61	3.66	-97.68
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461012	0	31	-2.0	-125.40	302.29	2.63	-122.77
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461013	1	34	-2.0	-109.94	312.86	4.21	-105.73
NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000461015	1	28	-2.0	-105.06	275.21	2.41	-102.65
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461017	1	32	-2.0	-118.79	301.76	6.29	-112.50
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000461023	0	28	-2.0	-102.30	289.25	0.86	-101.44
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461024	1	42	-2.0	-127.98	370.73	4.70	-123.28
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)O1	REAL300000461025	1	41	-2.0	-113.76	342.06	5.28	-108.48
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NS2)=C1F	REAL300000461026	0	24	-2.0	-104.50	256.75	2.76	-101.74
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(C(=O)[O-])=C1F	REAL300000461029	0	35	-2.0	-112.25	324.50	5.36	-106.89
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C(C(N)=O)O1	REAL300000461030	1	32	-2.0	-108.95	309.52	0.67	-108.28
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1F	REAL300000461032	1	28	-2.0	-110.72	285.37	5.10	-105.62
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)=C(Cl)O1	REAL300000461034	0	28	-2.0	-107.10	295.01	4.09	-103.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C(Cl)O1	REAL300000461034	1	27	-3.0	-166.61	298.58	4.59	-162.02
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000461036	1	35	-2.0	-113.34	331.42	5.25	-108.09
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000461037	1	29	-2.0	-115.30	295.83	5.48	-109.82
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)N=N1	REAL300000461038	0	27	-2.0	-117.86	268.96	1.38	-116.48
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000461039	0	31	-2.0	-102.96	324.57	4.33	-98.63
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1F	REAL300000461042	1	35	-2.0	-109.94	319.91	4.73	-105.21
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1F	REAL300000461043	1	35	-2.0	-107.38	315.23	5.03	-102.35
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1F	REAL300000461044	1	38	-2.0	-107.61	339.41	5.67	-101.94
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461045	1	41	-2.0	-121.63	374.80	6.44	-115.19
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1F	REAL300000461046	0	29	-2.0	-99.92	306.95	4.65	-95.27
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)=C1F	REAL300000461047	0	33	-2.0	-101.05	314.73	4.99	-96.06
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)=C1F	REAL300000461047	1	33	-2.0	-116.95	321.68	4.08	-112.87
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)C=NN2C1	REAL300000461048	0	39	-2.0	-116.80	345.05	3.07	-113.73
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1F	REAL300000461049	0	34	-2.0	-111.33	336.85	5.96	-105.37
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1F	REAL300000461051	0	25	-2.0	-110.00	274.11	3.64	-106.36
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1F	REAL300000461053	1	35	-2.0	-113.92	314.39	5.07	-108.85
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000461054	1	32	-2.0	-109.33	311.21	4.50	-104.83
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461056	1	38	-2.0	-116.94	344.46	6.46	-110.48
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)=C2O1	REAL300000461058	1	36	-2.0	-123.08	327.26	5.64	-117.44
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000461059	0	36	-2.0	-109.02	338.68	4.73	-104.29
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461061	0	32	-2.0	-115.34	306.49	5.72	-109.62
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=C1F	REAL300000461062	1	34	-2.0	-117.77	323.72	5.67	-112.10
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1F	REAL300000461064	1	25	-2.0	-109.48	275.44	4.50	-104.98
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461065	1	28	-2.0	-100.98	291.96	3.18	-97.80
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1F	REAL300000461066	1	30	-2.0	-102.65	303.91	4.21	-98.44
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461067	0	33	-2.0	-126.56	311.75	4.65	-121.91
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461068	0	30	-2.0	-100.48	285.24	2.39	-98.09
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1F	REAL300000461071	0	31	-2.0	-114.05	308.85	6.48	-107.57
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1F	REAL300000461072	0	31	-2.0	-125.39	314.92	4.76	-120.63
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461073	1	35	-2.0	-106.19	321.95	4.78	-101.41
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1OC	REAL300000461075	1	36	-2.0	-115.13	325.79	4.98	-110.15
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1F	REAL300000461078	1	31	-2.0	-114.71	299.78	5.34	-109.37
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1OC	REAL300000461079	0	36	-2.0	-120.54	329.44	5.38	-115.16
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(C2CCCC2)=N1	REAL300000461080	1	41	-2.0	-114.20	358.80	5.96	-108.24
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C2=CC=CC=C2S1	REAL300000461081	1	32	-2.0	-116.03	320.86	6.99	-109.04
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(C2CC2)=N1	REAL300000461082	1	35	-2.0	-112.72	325.27	4.99	-107.73
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1F	REAL300000461084	0	31	-2.0	-119.61	299.44	4.27	-115.34
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)C=CC=C21	REAL300000461085	1	33	-2.0	-130.46	314.56	3.46	-127.00
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)=C21	REAL300000461086	1	35	-2.0	-112.86	310.68	7.03	-105.83
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461088	0	28	-2.0	-109.73	287.30	0.93	-108.80
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(C2CCC2)=N1	REAL300000461091	1	38	-2.0	-113.49	341.52	5.47	-108.02
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1F	REAL300000461093	1	25	-2.0	-108.82	275.84	4.60	-104.22
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1F	REAL300000461094	1	38	-2.0	-110.52	343.98	5.70	-104.82
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1F	REAL300000461095	1	32	-2.0	-115.87	307.03	6.24	-109.63
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)=C1F	REAL300000461096	1	39	-2.0	-117.60	368.53	7.88	-109.72
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C2=NC=CC=C2C=C1	REAL300000461098	1	37	-2.0	-136.75	335.43	6.26	-130.49
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000461100	1	34	-2.0	-104.47	326.29	3.40	-101.07
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461101	1	29	-2.0	-114.45	294.52	5.41	-109.04
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461102	1	35	-2.0	-110.15	315.70	4.58	-105.57
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1F	REAL300000461103	1	32	-2.0	-99.09	326.45	6.40	-92.69
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461106	1	37	-2.0	-104.79	317.04	4.95	-99.84
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000461107	1	37	-2.0	-110.49	334.50	4.77	-105.72
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1F	REAL300000461108	1	35	-2.0	-110.57	318.59	4.15	-106.42
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=CN=C1C(F)(F)F	REAL300000461109	1	33	-2.0	-102.49	320.93	4.88	-97.61
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1F	REAL300000461114	1	28	-2.0	-110.73	291.54	5.43	-105.30
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000461116	1	31	-2.0	-105.25	291.18	3.32	-101.93
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)=C1F	REAL300000461124	1	34	-2.0	-107.04	332.46	6.10	-100.94
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000461125	1	33	-2.0	-108.55	328.79	5.53	-103.02
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1Cl	REAL300000461127	1	29	-2.0	-112.09	302.62	5.91	-106.18
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)=C1F	REAL300000461128	1	37	-2.0	-119.61	344.13	5.02	-114.59
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1F	REAL300000461129	1	28	-2.0	-111.97	290.02	5.30	-106.67
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=CS1	REAL300000461131	1	29	-2.0	-115.22	292.27	3.50	-111.72
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=C1F	REAL300000461132	1	31	-2.0	-110.00	302.29	6.51	-103.49
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000461133	1	34	-2.0	-107.21	334.98	5.36	-101.85
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1F	REAL300000461134	1	35	-2.0	-115.52	324.73	7.23	-108.29
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1F	REAL300000461135	1	38	-2.0	-107.62	334.82	5.65	-101.97
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461136	1	37	-2.0	-106.70	329.94	4.95	-101.75
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000461139	0	31	-2.0	-119.19	323.94	1.56	-117.63
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3F)C2=N1	REAL300000461140	1	33	-2.0	-122.15	313.61	3.42	-118.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)O1	REAL300000461141	0	31	-2.0	-111.52	296.09	4.66	-106.86
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1F	REAL300000461142	0	28	-2.0	-104.82	293.87	4.28	-100.54
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461143	1	32	-2.0	-107.54	310.96	4.98	-102.56
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(C2CCOCC2)=N1	REAL300000461144	1	42	-2.0	-112.02	368.34	4.20	-107.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000461148	1	29	-2.0	-108.65	293.80	3.51	-105.14
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C2=NC=CC=C12	REAL300000461149	1	39	-2.0	-129.08	341.43	7.35	-121.73
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1F	REAL300000461151	1	31	-2.0	-107.21	302.68	3.76	-103.45
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1Cl	REAL300000461153	0	31	-2.0	-107.88	321.68	4.52	-103.36
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461154	1	38	-2.0	-108.20	349.68	6.24	-101.96
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1F	REAL300000461155	1	41	-2.0	-109.53	356.40	6.00	-103.53
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1F	REAL300000461159	1	31	-2.0	-115.17	295.50	5.46	-109.71
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000461161	0	30	-2.0	-110.50	290.86	1.90	-108.60
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1Cl	REAL300000461162	0	31	-2.0	-106.84	311.68	3.98	-102.86
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=C1F	REAL300000461163	0	30	-2.0	-106.93	311.02	4.33	-102.60
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)=C1F	REAL300000461164	1	33	-2.0	-123.53	326.47	6.24	-117.29
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1F	REAL300000461165	0	25	-2.0	-105.80	269.76	3.67	-102.13
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1F	REAL300000461170	1	28	-2.0	-107.40	297.53	5.67	-101.73
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)O1	REAL300000461171	0	34	-2.0	-123.23	333.63	1.35	-121.88
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(C2=CC=CC=C2)=N1	REAL300000461172	1	38	-2.0	-115.90	347.43	6.48	-109.42
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1F	REAL300000461174	1	32	-2.0	-111.93	313.82	6.37	-105.56
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=C1F	REAL300000461177	0	24	-2.0	-101.55	273.94	3.48	-98.07
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=NN1	REAL300000461179	0	34	-2.0	-109.91	330.37	2.85	-107.06
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1OC	REAL300000461180	0	33	-2.0	-111.77	323.01	3.06	-108.71
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1F	REAL300000461181	0	29	-2.0	-86.64	305.67	3.64	-83.00
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1F	REAL300000461182	1	27	-2.0	-98.26	287.64	3.69	-94.57
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)=C1F	REAL300000461183	1	32	-2.0	-110.18	318.31	6.05	-104.13
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461185	1	34	-2.0	-110.35	313.41	5.07	-105.28
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=C1F	REAL300000461187	1	31	-2.0	-114.22	300.69	6.45	-107.77
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1F	REAL300000461188	0	25	-2.0	-101.07	295.08	5.16	-95.91
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1Cl	REAL300000461189	0	28	-2.0	-106.54	289.86	3.11	-103.43
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461190	1	41	-2.0	-113.15	363.73	7.48	-105.67
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)OC=C1	REAL300000461194	0	26	-2.0	-110.04	274.17	3.50	-106.54
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=C1F	REAL300000461196	1	29	-2.0	-113.33	311.51	3.84	-109.49
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000461197	0	37	-2.0	-115.55	351.93	4.11	-111.44
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(C2CC2)=N1	REAL300000461200	1	38	-2.0	-112.88	346.81	5.85	-107.03
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C2=NSN=C2C=C1	REAL300000461201	1	32	-2.0	-118.97	308.02	4.41	-114.56
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C(=O)NC(=O)N1	REAL300000461203	0	31	-2.0	-116.04	293.07	0.78	-115.26
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C(Cl)S1	REAL300000461205	1	31	-2.0	-115.42	326.32	5.98	-109.44
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000461206	1	41	-2.0	-108.66	356.78	6.26	-102.40
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1F	REAL300000461207	1	25	-2.0	-108.11	268.80	3.55	-104.56
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1F	REAL300000461208	0	25	-2.0	-105.70	278.82	4.57	-101.13
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000461209	1	42	-2.0	-119.21	374.83	5.35	-113.86
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1F	REAL300000461210	1	34	-2.0	-115.87	328.86	7.89	-107.98
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461211	1	36	-2.0	-107.70	322.32	2.79	-104.91
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461217	1	34	-2.0	-116.15	317.42	2.87	-113.28
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461219	1	31	-2.0	-109.78	312.73	2.72	-107.06
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000461221	1	37	-2.0	-109.20	332.97	5.19	-104.01
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461222	1	37	-2.0	-110.75	333.59	4.80	-105.95
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1F	REAL300000461223	0	27	-2.0	-108.52	297.34	3.05	-105.47
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=CO1	REAL300000461224	0	26	-2.0	-112.25	272.99	3.46	-108.79
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)SC=C1	REAL300000461225	0	26	-2.0	-113.77	279.50	4.44	-109.33
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461227	1	34	-2.0	-106.27	311.74	4.31	-101.96
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000461228	1	36	-2.0	-104.53	336.78	4.43	-100.10
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1F	REAL300000461229	0	38	-2.0	-106.77	344.78	7.45	-99.32
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000461230	0	31	-2.0	-118.41	309.31	6.83	-111.58
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1F	REAL300000461231	1	35	-2.0	-106.10	322.22	5.17	-100.93
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1F	REAL300000461232	1	35	-2.0	-112.42	321.96	6.26	-106.16
COC1=NOC(CS(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000461233	0	31	-2.0	-105.67	301.07	1.41	-104.26
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=NN1C(C)C	REAL300000461234	1	37	-2.0	-110.16	334.50	4.80	-105.36
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1F	REAL300000461236	1	30	-2.0	-111.88	299.24	4.17	-107.71
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=C1F	REAL300000461237	0	28	-2.0	-109.29	309.42	1.19	-108.10
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1F	REAL300000461240	1	32	-2.0	-114.45	320.46	5.53	-108.92
O=C([O-])C1=CC=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1F	REAL300000461241	0	38	-2.0	-116.53	342.75	7.43	-109.10
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1F	REAL300000461244	1	31	-2.0	-115.35	307.68	5.99	-109.36
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSN=C2)=C1F	REAL300000461245	1	24	-2.0	-102.65	255.66	2.65	-100.00
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1F	REAL300000461246	0	32	-2.0	-123.31	317.90	4.32	-118.99
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)=C1F	REAL300000461249	1	32	-2.0	-107.21	321.49	4.92	-102.29
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=C1F	REAL300000461250	0	35	-2.0	-112.12	337.95	6.10	-106.02
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461254	1	33	-2.0	-119.06	310.80	4.64	-114.42
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461255	1	34	-2.0	-108.56	335.10	3.22	-105.34
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1F	REAL300000461256	0	34	-2.0	-128.78	322.68	6.56	-122.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C2=NC=CC=C12	REAL300000461257	1	36	-2.0	-128.86	327.74	6.22	-122.64
CCC1=C(S(=O)(=O)NC2=CC=CC(C(=O)[O-])=C2F)C=C(C(=O)[O-])O1	REAL300000461258	0	34	-2.0	-98.64	321.47	5.09	-93.55
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)C=C(C(=O)[O-])O1	REAL300000461258	1	33	-3.0	-171.57	320.59	5.61	-165.96
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000461259	1	41	-2.0	-121.82	359.47	7.05	-114.77
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CS2)=C1F	REAL300000461261	0	24	-2.0	-106.92	256.59	2.18	-104.74
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1F	REAL300000461262	1	35	-2.0	-111.33	315.73	4.37	-106.96
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000461263	1	31	-2.0	-117.07	296.92	5.79	-111.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=CC=C1F	REAL300000461264	0	33	-3.0	-185.99	325.62	-0.01	-186.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1	REAL300000461265	0	33	-3.0	-175.09	321.07	-0.03	-175.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C1	REAL300000461266	0	33	-3.0	-189.26	321.09	-0.04	-189.30
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]C(=O)O1	REAL300000461267	0	37	-3.0	-189.28	349.23	-0.24	-189.52
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC(=O)O1	REAL300000461267	1	38	-2.0	-108.14	352.65	1.23	-106.91
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1	REAL300000461268	0	37	-3.0	-171.56	352.53	1.26	-170.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1C(=O)[O-]	REAL300000461269	0	36	-3.0	-191.16	337.10	0.50	-190.66
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C1	REAL300000461270	0	33	-3.0	-179.63	334.16	0.53	-179.10
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=C1	REAL300000461270	1	34	-2.0	-99.10	337.58	2.00	-97.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=CC=C1Cl	REAL300000461271	0	33	-3.0	-184.87	333.59	0.36	-184.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C1C	REAL300000461272	0	39	-3.0	-186.13	354.20	1.29	-184.84
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C1	REAL300000461273	0	33	-3.0	-182.58	326.55	0.03	-182.55
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=C1	REAL300000461273	1	34	-2.0	-100.73	329.99	1.49	-99.24
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1	REAL300000461274	0	39	-3.0	-170.01	364.66	1.55	-168.46
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C1	REAL300000461275	0	30	-3.0	-182.88	314.27	-1.02	-183.90
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=C1	REAL300000461275	1	31	-2.0	-98.61	317.70	0.45	-98.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]C(=O)O1	REAL300000461276	0	36	-3.0	-183.83	336.52	0.76	-183.07
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1	REAL300000461277	0	38	-2.0	-98.94	350.39	0.46	-98.48
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1C(=O)[O-]	REAL300000461278	0	34	-3.0	-187.71	327.73	-0.68	-188.39
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)C=C1C(=O)[O-]	REAL300000461278	1	35	-2.0	-102.15	331.16	0.79	-101.36
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]C(=O)O1	REAL300000461279	0	38	-2.0	-94.23	341.14	-0.64	-94.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C1	REAL300000461280	0	33	-3.0	-178.99	330.22	-0.36	-179.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=C1	REAL300000461280	1	34	-2.0	-94.88	333.62	1.12	-93.76
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1C(=O)[O-]	REAL300000461281	0	40	-2.0	-92.67	348.43	1.86	-90.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=CS1	REAL300000461282	0	30	-3.0	-184.37	312.73	-0.99	-185.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=CS1	REAL300000461282	1	31	-2.0	-99.78	316.16	0.46	-99.32
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1C(=O)[O-]	REAL300000461283	0	38	-2.0	-126.02	346.46	0.24	-125.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]C(=O)O1	REAL300000461284	0	39	-3.0	-179.98	346.31	2.10	-177.88
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C(C(=O)[O-])O1	REAL300000461285	0	33	-3.0	-178.55	324.09	-0.90	-179.45
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)C=C(C(=O)[O-])O1	REAL300000461285	1	34	-2.0	-98.10	327.51	0.57	-97.53
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C1	REAL300000461286	0	37	-3.0	-193.78	350.05	-0.95	-194.73
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=C1	REAL300000461286	1	38	-2.0	-104.61	353.43	0.52	-104.09
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]C(=O)O1	REAL300000461287	0	36	-3.0	-175.61	341.79	0.78	-174.83
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC(=O)O1	REAL300000461287	1	37	-2.0	-95.39	345.21	2.25	-93.14
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C(C(=O)[O-])S1	REAL300000461288	0	33	-3.0	-180.53	330.78	-0.15	-180.68
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)C=C(C(=O)[O-])S1	REAL300000461288	1	34	-2.0	-100.95	333.13	1.32	-99.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C(Cl)=C1	REAL300000461289	0	33	-3.0	-172.70	334.13	0.53	-172.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)C(Cl)=C1	REAL300000461289	1	34	-2.0	-89.68	337.56	1.99	-87.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1F	REAL300000461290	0	33	-3.0	-174.24	325.62	0.01	-174.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)S1	REAL300000461291	0	30	-3.0	-177.35	313.34	-0.91	-178.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)S1	REAL300000461291	1	31	-2.0	-93.86	316.76	0.56	-93.30
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C1	REAL300000461292	0	33	-3.0	-179.80	327.49	0.03	-179.77
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=C1	REAL300000461292	1	34	-2.0	-95.17	330.91	1.50	-93.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C1F	REAL300000461293	0	36	-3.0	-184.53	346.84	0.67	-183.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=C1F	REAL300000461293	1	37	-2.0	-102.11	350.27	2.14	-99.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C(F)=C1	REAL300000461294	0	33	-3.0	-175.99	326.55	0.04	-175.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)C(F)=C1	REAL300000461294	1	34	-2.0	-91.59	329.97	1.50	-90.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1Cl	REAL300000461295	0	33	-3.0	-172.60	333.59	0.37	-172.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=CC(F)=C1F	REAL300000461296	0	33	-3.0	-177.32	331.90	0.06	-177.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=CC(F)=C1F	REAL300000461296	1	34	-2.0	-93.82	335.33	1.52	-92.30
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C1	REAL300000461297	0	34	-3.0	-180.34	330.80	-2.32	-182.66
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=C1	REAL300000461297	1	35	-2.0	-102.77	334.22	-0.86	-103.63
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1	REAL300000461298	0	36	-3.0	-174.81	343.26	0.74	-174.07
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]C(=O)O1	REAL300000461299	0	36	-3.0	-191.38	331.12	0.59	-190.79
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=CC(C(=O)[O-])=C1F	REAL300000461300	0	36	-3.0	-188.07	345.92	0.62	-187.45
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C1	REAL300000461303	0	33	-3.0	-175.53	332.82	0.09	-175.44
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=C1	REAL300000461303	1	34	-2.0	-93.06	336.24	1.56	-91.50
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]C(=O)O2)C(C)=C1C(=O)[O-]	REAL300000461304	0	40	-2.0	-124.13	351.43	1.86	-122.27
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1C(=O)[O-]	REAL300000461305	0	36	-3.0	-185.38	346.40	0.66	-184.72
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)C=C1C(=O)[O-]	REAL300000461305	1	37	-2.0	-101.71	345.98	2.03	-99.68
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C1	REAL300000461306	0	36	-3.0	-201.87	346.10	0.66	-201.21
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=C1	REAL300000461306	1	37	-2.0	-108.47	349.54	2.12	-106.35
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1C(=O)[O-]	REAL300000461307	0	39	-3.0	-192.25	355.41	1.15	-191.10
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1C(=O)[O-]	REAL300000461308	0	37	-3.0	-189.45	349.10	0.18	-189.27
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)C=C1C(=O)[O-]	REAL300000461308	1	38	-2.0	-103.37	352.53	1.65	-101.72
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=CC=C1C(=O)[O-]	REAL300000461309	0	36	-3.0	-175.62	337.09	0.51	-175.11
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C1F	REAL300000461311	0	33	-3.0	-200.43	324.72	-0.01	-200.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=C1F	REAL300000461311	1	34	-2.0	-107.66	328.15	1.46	-106.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C1C(=O)[O-]	REAL300000461312	0	36	-3.0	-181.40	342.25	0.54	-180.86
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)C=C1C(=O)[O-]	REAL300000461312	1	37	-2.0	-95.79	345.67	2.00	-93.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C1	REAL300000461313	0	32	-3.0	-187.75	317.29	-1.90	-189.65
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=C1	REAL300000461313	1	33	-2.0	-101.55	320.72	-0.44	-101.99
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]C(=O)O1	REAL300000461314	0	37	-3.0	-179.16	349.29	-0.24	-179.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NNC(=O)O1	REAL300000461314	1	38	-2.0	-95.60	352.71	1.23	-94.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)=C(Cl)O1	REAL300000461315	0	30	-3.0	-173.85	321.19	-1.06	-174.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)=C(Cl)O1	REAL300000461315	1	31	-2.0	-92.51	324.61	0.41	-92.10
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]C(=O)O2)C=C(C(=O)[O-])O1	REAL300000461316	0	36	-3.0	-176.20	339.16	0.32	-175.88
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NNC(=O)O2)C=C(C(=O)[O-])O1	REAL300000461316	1	37	-2.0	-97.39	342.58	1.77	-95.62
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000461317	1	35	-2.0	-101.47	336.91	5.45	-96.02
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)=C1	REAL300000461318	1	35	-2.0	-91.86	332.37	5.42	-86.44
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000461319	1	35	-2.0	-103.72	332.38	5.41	-98.31
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000461320	1	38	-2.0	-104.74	348.40	5.95	-98.79
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(F)(F)F)=C1	REAL300000461321	0	35	-2.0	-100.28	337.85	5.48	-94.80
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(F)(F)F)=C1	REAL300000461322	0	32	-2.0	-98.31	325.56	4.43	-93.88
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(F)(F)F)=C1	REAL300000461323	1	38	-2.0	-103.65	347.81	6.20	-97.45
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000461324	0	36	-2.0	-102.17	339.03	4.77	-97.40
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C(F)(F)F)=C1	REAL300000461325	0	35	-2.0	-94.59	341.49	5.10	-89.49
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000461326	0	32	-2.0	-99.67	324.03	4.45	-95.22
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000461327	0	35	-2.0	-97.50	335.39	4.55	-92.95
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000461328	0	35	-2.0	-100.52	341.00	5.31	-95.21
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(F)(F)F)=C1	REAL300000461329	0	35	-2.0	-91.58	336.90	5.46	-86.12
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(F)(F)F)=C1	REAL300000461330	0	32	-2.0	-93.50	324.64	4.55	-88.95
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000461331	0	35	-2.0	-94.97	338.80	5.47	-89.50
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(F)(F)F)=C1	REAL300000461332	0	35	-2.0	-91.38	337.84	5.49	-85.89
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(F)(F)F)=C1	REAL300000461333	0	36	-2.0	-102.20	342.09	3.12	-99.08
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(F)(F)F)=C1	REAL300000461334	1	38	-2.0	-94.43	354.55	6.19	-88.24
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(F)(F)F)=C1	REAL300000461335	1	38	-2.0	-100.74	342.41	6.05	-94.69
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C(F)(F)F)=C1	REAL300000461336	1	38	-2.0	-91.93	347.79	6.19	-85.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000461337	0	39	-2.0	-103.43	360.40	5.63	-97.80
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C(F)(F)F)=C1	REAL300000461338	1	38	-2.0	-93.51	352.43	6.06	-87.45
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(F)(F)F)=C1	REAL300000461339	0	35	-2.0	-108.54	336.01	5.44	-103.10
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(F)(F)F)=C1	REAL300000461340	0	34	-2.0	-101.53	328.59	3.53	-98.00
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000461341	0	32	-2.0	-91.91	332.48	4.39	-87.52
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2C(F)(F)F)C=C(C(=O)[O-])O1	REAL300000461342	0	38	-2.0	-97.16	350.60	5.28	-91.88
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1)C1CC1	REAL300000461345	1	42	-2.0	-104.85	359.99	6.82	-98.03
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1)C1CC1	REAL300000461347	0	42	-2.0	-110.80	365.35	6.76	-104.04
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1)C1CC1	REAL300000461348	0	39	-2.0	-107.96	353.05	5.72	-102.24
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1)C1CC1	REAL300000461349	1	45	-2.0	-106.43	375.40	7.61	-98.82
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1)C1CC1	REAL300000461350	1	43	-2.0	-112.17	366.26	6.04	-106.13
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1)C1CC1	REAL300000461351	0	42	-2.0	-96.05	374.81	6.41	-89.64
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1)C1CC1	REAL300000461352	0	39	-2.0	-109.44	351.26	5.73	-103.71
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1)C1CC1	REAL300000461353	0	42	-2.0	-107.33	362.65	5.82	-101.51
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1)C1CC1	REAL300000461354	1	42	-2.0	-102.95	368.57	6.72	-96.23
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1)C1CC1	REAL300000461355	1	42	-2.0	-92.45	364.51	6.87	-85.58
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1)C1CC1	REAL300000461356	0	39	-2.0	-94.41	352.24	5.95	-88.46
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1)C1CC1	REAL300000461357	1	42	-2.0	-104.51	366.02	6.75	-97.76
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1)C1CC1	REAL300000461358	0	42	-2.0	-91.06	365.44	6.90	-84.16
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1)C1CC1	REAL300000461359	0	43	-2.0	-105.47	369.69	4.54	-100.93
CC(=O)N(C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1)C1CC1	REAL300000461359	1	43	-2.0	-112.23	362.57	5.01	-107.22
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1)C1CC1	REAL300000461360	1	45	-2.0	-105.30	376.45	7.40	-97.90
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1)C1CC1	REAL300000461361	1	45	-2.0	-113.13	368.19	7.20	-105.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N(C(C)=O)C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000461363	1	46	-2.0	-113.47	387.62	6.90	-106.57
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1)C1CC1	REAL300000461365	0	42	-2.0	-108.18	363.59	6.85	-101.33
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1)C1CC1	REAL300000461366	0	41	-2.0	-111.52	355.83	4.82	-106.70
CC(=O)N(C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1)C1CC1	REAL300000461367	0	39	-2.0	-93.25	360.13	5.80	-87.45
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N(C(C)=O)C3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000461368	0	45	-2.0	-107.13	381.73	6.68	-100.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1	REAL300000461371	1	39	-2.0	-108.01	340.44	5.61	-102.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCOC2)C=C1	REAL300000461372	0	43	-2.0	-113.89	368.57	5.41	-108.48
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C=C1	REAL300000461373	1	43	-2.0	-94.76	371.88	6.91	-87.85
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1	REAL300000461375	0	39	-2.0	-103.78	353.50	6.18	-97.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=CC=C1Cl	REAL300000461376	1	39	-2.0	-103.82	352.93	6.00	-97.82
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1	REAL300000461378	0	39	-2.0	-105.50	345.90	5.67	-99.83
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C=C1	REAL300000461379	1	45	-2.0	-94.12	383.99	7.20	-86.92
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1	REAL300000461380	0	36	-2.0	-102.17	333.61	4.63	-97.54
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C=C1C(=O)[O-]	REAL300000461383	1	40	-2.0	-106.31	347.08	4.96	-101.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1	REAL300000461385	0	39	-2.0	-98.18	349.54	5.29	-92.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=CS1	REAL300000461387	1	36	-2.0	-102.76	332.10	4.65	-98.11
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCOC2)C=C1	REAL300000461389	1	48	-2.0	-111.50	394.33	7.62	-103.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCOC2)C=C1	REAL300000461390	1	45	-2.0	-107.63	370.58	7.33	-100.30
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCOC2)C=C1	REAL300000461391	0	46	-2.0	-113.76	390.86	6.17	-107.59
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3CCOC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000461392	0	42	-2.0	-107.69	375.37	6.05	-101.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000461392	1	41	-3.0	-183.14	368.83	6.18	-176.96
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1	REAL300000461393	1	46	-2.0	-112.22	384.69	7.51	-104.71
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C=C(C(=O)[O-])O1	REAL300000461394	0	39	-2.0	-101.95	343.46	4.75	-97.20
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1	REAL300000461395	0	43	-2.0	-108.14	369.41	4.71	-103.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C(Cl)C=C1F	REAL300000461396	0	39	-2.0	-100.34	358.01	6.20	-94.14
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCOC2)C=C1	REAL300000461398	1	42	-2.0	-99.57	361.13	6.43	-93.14
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C=C1F	REAL300000461399	1	43	-2.0	-92.82	377.72	5.95	-86.87
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C=C(C(=O)[O-])S1	REAL300000461401	1	39	-2.0	-105.53	349.03	5.52	-100.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C(Cl)=C1	REAL300000461402	0	39	-2.0	-92.72	353.48	6.18	-86.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C=C1F	REAL300000461403	1	39	-2.0	-94.69	344.96	5.66	-89.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)S1	REAL300000461404	0	36	-2.0	-96.88	332.70	4.74	-92.14
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1	REAL300000461405	1	39	-2.0	-98.72	346.83	5.68	-93.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1F	REAL300000461406	0	42	-2.0	-106.93	366.20	6.31	-100.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C(F)=C1	REAL300000461407	0	39	-2.0	-94.62	345.89	5.69	-88.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C=C1Cl	REAL300000461408	1	39	-2.0	-92.74	352.93	6.02	-86.72
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCOC2)C=C1	REAL300000461409	1	42	-2.0	-101.34	369.87	6.81	-94.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=CC(F)=C1F	REAL300000461410	1	39	-2.0	-96.58	351.24	5.71	-90.87
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1	REAL300000461411	1	41	-2.0	-92.62	368.62	6.28	-86.34
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1	REAL300000461412	0	40	-2.0	-108.23	350.14	3.33	-104.90
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3CCOC3)C=C2)=C1	REAL300000461412	1	40	-2.0	-104.57	349.35	4.12	-100.45
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C=C1	REAL300000461413	1	42	-2.0	-99.08	362.59	6.39	-92.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=CC(Cl)=C1F	REAL300000461414	1	39	-2.0	-98.06	361.13	6.15	-91.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000461419	0	41	-2.0	-105.80	367.00	6.70	-99.10
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1	REAL300000461420	0	39	-2.0	-95.83	352.20	5.74	-90.09
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C=C1C(=O)[O-]	REAL300000461422	0	42	-2.0	-105.40	361.92	6.22	-99.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1Cl	REAL300000461423	0	42	-2.0	-105.61	372.17	6.75	-98.86
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1	REAL300000461424	0	42	-2.0	-111.94	365.46	6.31	-105.63
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2CCOC2)C=C1	REAL300000461427	1	42	-2.0	-97.86	370.98	6.87	-90.99
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000461428	1	42	-2.0	-105.45	371.65	6.58	-98.87
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C=C1C(=O)[O-]	REAL300000461429	1	43	-2.0	-107.66	368.45	5.84	-101.82
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C=C1C(=O)[O-]	REAL300000461430	1	42	-2.0	-101.18	370.31	6.58	-94.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1[N+](=O)[O-]	REAL300000461433	0	41	-2.0	-114.71	364.15	7.46	-107.25
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1F	REAL300000461434	0	39	-2.0	-111.69	344.08	5.65	-106.04
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C=C1C(=O)[O-]	REAL300000461435	1	42	-2.0	-99.39	361.61	6.18	-93.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=CC2=CC=CC=C21	REAL300000461436	1	45	-2.0	-116.22	381.47	7.74	-108.48
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C1	REAL300000461437	0	38	-2.0	-104.85	336.66	3.73	-101.12
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2CCOC2)C=C1	REAL300000461438	0	43	-2.0	-99.63	368.63	5.41	-94.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)=C(Cl)O1	REAL300000461439	0	36	-2.0	-95.61	340.57	4.60	-91.01
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4CCOC4)C=C3)C=C2)CC1	REAL300000461440	1	46	-2.0	-102.10	386.55	7.49	-94.61
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4CCOC4)C=C3)C=C2C1	REAL300000461441	1	46	-2.0	-104.69	385.88	7.49	-97.20
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCOC3)C=C2)C=C(C(=O)[O-])O1	REAL300000461442	0	42	-2.0	-101.86	362.55	5.61	-96.25
NC(=O)CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000461443	1	42	-2.0	-100.09	381.08	0.93	-99.16
NC(=O)CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000461444	1	42	-2.0	-111.62	381.12	0.93	-110.69
NC(=O)CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000461445	0	39	-2.0	-111.79	374.29	-0.05	-111.84
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000461446	0	43	-2.0	-110.28	387.76	0.28	-110.00
NC(=O)CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000461447	0	39	-2.0	-113.32	372.76	-0.03	-113.35
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000461448	0	42	-2.0	-105.79	384.14	0.07	-105.72
NC(=O)CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000461449	0	39	-2.0	-101.56	373.37	0.06	-101.50
NC(=O)CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000461450	0	41	-2.0	-115.07	377.32	-0.94	-116.01
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1	REAL300000461451	1	45	-2.0	-90.03	387.90	6.18	-83.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=CC=C1F	REAL300000461452	1	38	-2.0	-106.80	335.97	7.62	-99.18
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC2)=C1	REAL300000461453	0	46	-2.0	-107.90	391.04	8.69	-99.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1	REAL300000461455	1	38	-2.0	-109.62	331.42	7.59	-102.03
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC2)=C1	REAL300000461456	0	42	-2.0	-115.19	359.57	7.39	-107.80
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1	REAL300000461457	1	42	-2.0	-96.19	362.89	8.89	-87.30
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1	REAL300000461459	0	38	-2.0	-104.97	344.49	8.15	-96.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=CC=C1Cl	REAL300000461460	1	38	-2.0	-105.29	343.95	7.97	-97.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1C	REAL300000461461	1	44	-2.0	-112.49	364.10	8.94	-103.55
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1	REAL300000461462	0	38	-2.0	-106.74	336.90	7.64	-99.10
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1	REAL300000461463	1	44	-2.0	-95.52	375.01	9.17	-86.35
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1	REAL300000461464	0	35	-2.0	-103.71	324.60	6.61	-97.10
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC2)=C1	REAL300000461465	1	41	-2.0	-110.34	346.85	8.37	-101.97
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1C(=O)[O-]	REAL300000461467	1	39	-2.0	-107.95	338.07	6.94	-101.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1	REAL300000461469	0	38	-2.0	-99.72	340.54	7.27	-92.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=CS1	REAL300000461471	0	35	-2.0	-105.17	323.06	6.62	-98.55
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=CC(C(=O)[O-])=C1OC	REAL300000461472	1	46	-2.0	-109.68	389.73	7.40	-102.28
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1	REAL300000461474	1	48	-2.0	-114.43	386.67	10.20	-104.23
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC2)=C1	REAL300000461475	1	47	-2.0	-112.59	385.32	9.60	-102.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC2)=C1	REAL300000461476	1	44	-2.0	-108.50	361.59	9.31	-99.19
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC2)=C1	REAL300000461477	0	45	-2.0	-114.98	381.85	8.15	-106.83
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(C3CCC3)=C2)=CC(C(=O)[O-])=C1	REAL300000461478	0	41	-2.0	-110.16	366.54	8.01	-102.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=CC(C(=O)[O-])=C1	REAL300000461478	1	40	-3.0	-185.57	359.82	8.16	-177.41
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1	REAL300000461479	1	45	-2.0	-114.69	375.67	9.49	-105.20
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C(C(=O)[O-])O1	REAL300000461480	0	38	-2.0	-103.00	334.45	6.73	-96.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=CC2=C1OCCO2	REAL300000461481	1	44	-2.0	-114.44	373.60	7.36	-107.08
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1	REAL300000461482	0	42	-2.0	-111.10	360.34	6.68	-104.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C(Cl)C=C1F	REAL300000461484	0	38	-2.0	-101.38	349.01	8.18	-93.20
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1Cl	REAL300000461485	1	42	-2.0	-93.30	378.51	8.41	-84.89
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC2)=C1	REAL300000461487	1	41	-2.0	-100.68	352.13	8.41	-92.27
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1F	REAL300000461488	1	42	-2.0	-94.17	368.70	7.94	-86.23
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C(C(=O)[O-])S1	REAL300000461490	1	38	-2.0	-106.46	341.11	7.48	-98.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C(Cl)=C1	REAL300000461491	0	38	-2.0	-94.18	344.47	8.15	-86.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1F	REAL300000461492	1	38	-2.0	-96.06	335.95	7.63	-88.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)S1	REAL300000461493	0	35	-2.0	-98.41	323.68	6.71	-91.70
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1	REAL300000461494	1	38	-2.0	-100.20	337.83	7.66	-92.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1F	REAL300000461495	0	41	-2.0	-108.29	357.19	8.28	-100.01
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000461496	0	42	-2.0	-98.84	371.73	8.21	-90.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C(F)=C1	REAL300000461497	0	38	-2.0	-96.21	336.88	7.66	-88.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1Cl	REAL300000461498	1	38	-2.0	-94.17	343.92	7.99	-86.18
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC2)=C1	REAL300000461499	1	41	-2.0	-102.42	360.86	8.78	-93.64
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1	REAL300000461500	1	46	-2.0	-92.85	395.16	9.00	-83.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=CC(F)=C1F	REAL300000461501	1	38	-2.0	-98.17	342.25	7.68	-90.49
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1	REAL300000461502	1	40	-2.0	-94.23	359.61	8.26	-85.97
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1	REAL300000461503	0	39	-2.0	-109.08	341.12	5.30	-103.78
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3CCC3)=C2)=C1	REAL300000461503	1	39	-2.0	-106.14	340.21	6.18	-99.96
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1	REAL300000461504	1	41	-2.0	-100.38	353.61	8.37	-92.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=CC(Cl)=C1F	REAL300000461505	1	38	-2.0	-99.66	352.14	8.12	-91.54
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC2)=C1	REAL300000461506	1	41	-2.0	-105.85	341.46	8.24	-97.61
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=CC(C(=O)[O-])=C1F	REAL300000461507	1	41	-2.0	-108.28	356.27	8.24	-100.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=CC=C1[N+](=O)[O-]	REAL300000461510	0	40	-2.0	-107.35	357.98	8.68	-98.67
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1	REAL300000461511	0	38	-2.0	-98.22	343.18	7.72	-90.50
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1C(=O)[O-]	REAL300000461513	0	41	-2.0	-109.13	356.74	8.28	-100.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1Cl	REAL300000461514	0	41	-2.0	-106.80	363.16	8.73	-98.07
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1	REAL300000461515	0	41	-2.0	-114.86	356.46	8.28	-106.58
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC2)=C1	REAL300000461518	1	41	-2.0	-98.87	357.68	8.77	-90.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1C(F)(F)F	REAL300000461519	1	41	-2.0	-93.11	361.53	8.40	-84.71
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000461520	1	41	-2.0	-107.20	362.66	8.54	-98.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1C(=O)[O-]	REAL300000461521	1	42	-2.0	-109.25	359.44	7.81	-101.44
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1C(=O)[O-]	REAL300000461523	1	41	-2.0	-104.05	365.16	8.66	-95.39
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C(C(=O)[O-])S1	REAL300000461524	0	47	-2.0	-106.28	380.86	9.73	-96.55
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1C(=O)[O-]	REAL300000461525	0	42	-2.0	-110.53	371.74	8.22	-102.31
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C([N+](=O)[O-])=C1	REAL300000461527	0	43	-2.0	-102.32	374.69	9.78	-92.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1[N+](=O)[O-]	REAL300000461529	0	40	-2.0	-117.00	355.14	9.45	-107.55
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1F	REAL300000461530	0	38	-2.0	-113.99	335.08	7.63	-106.36
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C1C(=O)[O-]	REAL300000461531	1	41	-2.0	-102.12	356.36	8.27	-93.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=CC2=CC=CC=C21	REAL300000461532	1	44	-2.0	-118.14	372.46	9.71	-108.43
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C1	REAL300000461533	0	37	-2.0	-106.62	328.41	5.64	-100.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC2)=C1	REAL300000461534	0	42	-2.0	-101.21	359.62	7.39	-93.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)=C(Cl)O1	REAL300000461535	0	35	-2.0	-96.85	331.57	6.57	-90.28
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4CCC4)=C3)C=C2)CC1	REAL300000461536	1	45	-2.0	-103.45	377.54	9.48	-93.97
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4CCC4)=C3)C=C2C1	REAL300000461537	1	45	-2.0	-107.47	376.86	9.47	-98.00
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC3)=C2)C=C(C(=O)[O-])O1	REAL300000461538	0	41	-2.0	-102.91	353.54	7.58	-95.33
CC1=CC=C(Cl)C=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000461566	0	37	-2.0	-112.14	355.79	8.48	-103.66
CC1=CC=C(Cl)C=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000461589	0	35	-2.0	-108.89	328.66	6.67	-102.22
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000461622	1	34	-2.0	-110.52	324.33	1.24	-109.28
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000461624	1	34	-2.0	-111.47	319.80	1.20	-110.27
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(NC(N)=O)=C1	REAL300000461625	0	38	-2.0	-117.58	347.93	1.00	-116.58
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1F	REAL300000461626	1	38	-2.0	-99.26	351.24	2.50	-96.76
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1F	REAL300000461628	0	34	-2.0	-107.80	332.86	1.78	-106.02
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000461629	1	34	-2.0	-108.90	332.31	1.60	-107.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(NC(N)=O)=C2)=C1C	REAL300000461630	1	40	-2.0	-114.93	352.19	2.52	-112.41
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000461631	0	34	-2.0	-109.34	325.27	1.27	-108.07
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000461632	1	40	-2.0	-98.47	363.36	2.80	-95.67
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000461633	0	31	-2.0	-107.09	312.98	0.22	-106.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(NC(N)=O)=C1	REAL300000461634	1	37	-2.0	-112.99	335.22	1.99	-111.00
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000461636	1	35	-2.0	-110.15	326.44	0.55	-109.60
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(NC(N)=O)=C2)=C1	REAL300000461638	0	34	-2.0	-102.46	328.91	0.89	-101.57
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000461640	0	31	-2.0	-108.63	311.45	0.24	-108.39
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(NC(N)=O)=C1	REAL300000461642	1	43	-2.0	-115.21	373.69	3.21	-112.00
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(NC(N)=O)=C1	REAL300000461643	1	40	-2.0	-111.21	349.94	2.92	-108.29
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(NC(N)=O)=C1	REAL300000461644	0	41	-2.0	-117.51	370.23	1.76	-115.75
NC(=O)NC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000461645	0	37	-2.0	-116.59	350.67	1.77	-114.82
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000461645	1	36	-3.0	-188.05	348.20	1.77	-186.28
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1F	REAL300000461646	1	41	-2.0	-117.22	364.04	3.10	-114.12
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000461647	0	34	-2.0	-105.00	322.81	0.33	-104.67
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(N)=O)=C2)=C1	REAL300000461648	0	38	-2.0	-113.02	348.78	0.29	-112.73
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(NC(N)=O)=C1	REAL300000461650	1	37	-2.0	-103.67	340.51	2.03	-101.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(N)=O)=C2)C=C(C(=O)[O-])S1	REAL300000461652	1	34	-2.0	-109.52	328.39	1.10	-108.42
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1F	REAL300000461653	0	34	-2.0	-97.48	332.85	1.77	-95.71
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000461654	1	34	-2.0	-99.33	324.32	1.25	-98.08
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000461655	0	31	-2.0	-101.30	312.06	0.34	-100.96
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000461656	1	34	-2.0	-103.81	326.20	1.27	-102.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(NC(N)=O)=C2)=C1F	REAL300000461657	0	37	-2.0	-110.80	345.55	1.91	-108.89
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000461658	0	34	-2.0	-99.31	325.25	1.28	-98.03
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300000461659	1	34	-2.0	-97.41	332.29	1.61	-95.80
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000461660	1	34	-2.0	-102.04	330.61	1.30	-100.74
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000461661	1	36	-2.0	-96.95	347.98	1.87	-95.08
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000461662	0	35	-2.0	-111.47	329.51	-1.08	-112.55
NC(=O)NC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000461662	1	35	-2.0	-106.14	318.52	-0.20	-106.34
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000461663	1	37	-2.0	-102.91	341.96	1.99	-100.92
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(NC(N)=O)=C1	REAL300000461664	1	37	-2.0	-108.84	329.32	1.85	-106.99
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(NC(N)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000461665	1	37	-2.0	-112.01	344.62	1.86	-110.15
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300000461668	0	36	-2.0	-111.61	346.32	2.29	-109.32
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1F	REAL300000461669	0	34	-2.0	-101.06	331.55	1.33	-99.73
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000461671	0	37	-2.0	-110.25	340.98	1.79	-108.46
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(N)=O)=C2)=C1	REAL300000461672	0	37	-2.0	-117.20	344.80	1.90	-115.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000461675	1	38	-2.0	-111.38	347.83	1.41	-109.97
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1F	REAL300000461678	0	36	-2.0	-119.38	343.52	3.05	-116.33
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000461679	0	34	-2.0	-116.32	323.41	1.23	-115.09
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(N)=O)=C2)C=C1C(=O)[O-]	REAL300000461680	1	37	-2.0	-105.55	344.21	1.87	-103.68
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000461681	0	33	-2.0	-110.42	316.01	-0.67	-111.09
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(NC(N)=O)=C1	REAL300000461682	0	38	-2.0	-104.11	347.99	1.00	-103.11
NC(=O)NC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000461683	0	31	-2.0	-100.10	319.94	0.18	-99.92
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1F	REAL300000461684	1	41	-2.0	-106.46	365.92	3.09	-103.37
NC(=O)NC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1F	REAL300000461685	1	41	-2.0	-111.35	365.23	3.09	-108.26
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000461686	0	37	-2.0	-106.01	341.92	1.19	-104.82
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461687	1	39	-2.0	-104.71	347.88	4.47	-100.24
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(OC)=C1C	REAL300000461688	1	39	-2.0	-94.76	343.32	4.44	-90.32
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461689	1	39	-2.0	-107.25	343.35	4.43	-102.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=C(C)C(OC)=C1	REAL300000461690	0	43	-2.0	-112.83	371.48	4.23	-108.60
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC(OC)=C1C	REAL300000461691	1	43	-2.0	-94.67	374.79	5.73	-88.94
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461692	1	42	-2.0	-108.46	359.36	4.97	-103.49
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC(OC)=C1C	REAL300000461693	0	39	-2.0	-102.87	356.41	5.01	-97.86
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461694	1	39	-2.0	-103.10	355.86	4.83	-98.27
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC(OC)=C1C	REAL300000461695	1	45	-2.0	-110.40	376.01	5.79	-104.61
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(OC)=C1C	REAL300000461696	0	39	-2.0	-104.49	348.82	4.50	-99.99
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC(OC)=C1C	REAL300000461697	1	45	-2.0	-93.88	386.91	6.02	-87.86
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(OC)=C1C	REAL300000461698	0	36	-2.0	-101.46	336.53	3.45	-98.01
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(OC)=C1C	REAL300000461699	1	42	-2.0	-108.15	358.78	5.23	-102.92
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC(OC)=C1C	REAL300000461700	1	43	-2.0	-93.32	374.41	4.72	-88.60
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461701	0	40	-2.0	-105.61	349.99	3.79	-101.82
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC(OC)=C1C	REAL300000461703	0	39	-2.0	-97.55	352.45	4.12	-93.43
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC(OC)=C1C	REAL300000461704	1	45	-2.0	-109.83	374.41	5.78	-104.05
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461705	0	36	-2.0	-102.91	335.00	3.47	-99.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(C)C(OC)=C2)C=C1C(=O)[O-]	REAL300000461706	1	43	-2.0	-113.14	370.63	4.50	-108.64
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC(OC)=C1C	REAL300000461707	1	48	-2.0	-110.52	397.24	6.45	-104.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=C(C)C(OC)=C1	REAL300000461708	1	45	-2.0	-106.58	373.46	6.16	-100.42
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=C(C)C(OC)=C1	REAL300000461709	0	46	-2.0	-112.57	393.77	4.99	-107.58
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461710	0	42	-2.0	-109.31	378.36	4.87	-104.44
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461710	1	41	-3.0	-181.73	371.75	5.00	-176.73
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC(OC)=C1C	REAL300000461711	1	46	-2.0	-112.42	387.59	6.33	-106.09
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461712	0	39	-2.0	-101.13	346.35	3.58	-97.55
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC(OC)=C1C	REAL300000461713	0	43	-2.0	-108.43	372.26	3.52	-104.91
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CC(OC)=C1C	REAL300000461714	1	46	-2.0	-93.79	394.49	5.43	-88.36
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC(OC)=C1C	REAL300000461715	1	42	-2.0	-98.72	364.05	5.25	-93.47
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC(OC)=C1C	REAL300000461716	1	43	-2.0	-92.82	380.64	4.78	-88.04
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(C)C(OC)=C2)C=C1C(=O)[O-]	REAL300000461717	1	46	-2.0	-113.79	392.48	5.41	-108.38
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461718	0	39	-2.0	-104.46	353.03	4.33	-100.13
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC(OC)=C1C	REAL300000461719	0	39	-2.0	-92.42	356.40	5.00	-87.42
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(OC)=C1C	REAL300000461720	1	39	-2.0	-94.20	347.87	4.48	-89.72
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(OC)=C1C	REAL300000461721	0	36	-2.0	-96.36	335.62	3.57	-92.79
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461722	1	39	-2.0	-98.09	349.76	4.50	-93.59
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC(OC)=C1C	REAL300000461723	0	42	-2.0	-105.90	369.11	5.14	-100.76
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(OC)=C1C	REAL300000461724	0	39	-2.0	-94.23	348.79	4.51	-89.72
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(OC)=C1C	REAL300000461725	1	39	-2.0	-92.33	355.84	4.84	-87.49
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC(OC)=C1C	REAL300000461726	1	42	-2.0	-100.43	372.78	5.65	-94.78
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461727	1	39	-2.0	-96.23	354.16	4.53	-91.70
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC(OC)=C1C	REAL300000461728	0	41	-2.0	-92.27	371.53	5.11	-87.16
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(OC)=C1C	REAL300000461729	0	40	-2.0	-107.08	353.06	2.14	-104.94
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(OC)=C1C	REAL300000461729	1	40	-2.0	-105.52	348.72	2.95	-102.57
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(OC)=C1C	REAL300000461730	1	42	-2.0	-98.48	365.51	5.21	-93.27
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(OC)=C1C	REAL300000461731	1	42	-2.0	-104.47	357.18	5.17	-99.30
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461732	1	42	-2.0	-106.05	368.18	5.09	-100.96
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC(OC)=C1C	REAL300000461733	1	42	-2.0	-95.06	358.75	5.22	-89.84
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461734	1	45	-2.0	-110.37	376.22	5.50	-104.87
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461735	0	41	-2.0	-105.45	369.92	5.52	-99.93
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC(OC)=C1C	REAL300000461736	0	39	-2.0	-96.07	355.09	4.56	-91.51
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC(OC)=C1C	REAL300000461737	1	45	-2.0	-107.97	376.73	5.84	-102.13
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC(OC)=C1C	REAL300000461738	0	42	-2.0	-106.72	368.65	5.13	-101.59
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC(OC)=C1C	REAL300000461739	0	42	-2.0	-104.71	375.08	5.57	-99.14
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC(OC)=C1C	REAL300000461740	0	42	-2.0	-112.11	368.36	5.13	-106.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(C)C(OC)=C2)C=C1C(=O)[O-]	REAL300000461741	1	45	-2.0	-109.19	377.30	5.62	-103.57
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(C)C(OC)=C2)C=C1CC(=O)[O-]	REAL300000461742	1	46	-2.0	-109.72	393.81	4.57	-105.15
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC(OC)=C1C	REAL300000461743	1	42	-2.0	-96.73	369.60	5.61	-91.12
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461744	1	42	-2.0	-104.86	374.57	5.39	-99.47
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(C)C(OC)=C2)C=C1C(=O)[O-]	REAL300000461745	0	43	-2.0	-106.89	371.28	4.65	-102.24
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461746	1	42	-2.0	-101.77	377.09	5.50	-96.27
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(OC)=C1C	REAL300000461747	1	42	-2.0	-96.47	363.41	5.08	-91.39
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC(OC)=C1C	REAL300000461748	1	42	-2.0	-105.57	363.29	5.25	-100.32
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC(OC)=C1C	REAL300000461749	0	41	-2.0	-114.47	367.07	6.29	-108.18
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(OC)=C1C	REAL300000461750	0	39	-2.0	-111.35	347.00	4.47	-106.88
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461751	1	42	-2.0	-99.90	368.29	5.11	-94.79
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(OC)=C1C	REAL300000461752	0	38	-2.0	-104.87	339.55	2.56	-102.31
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC(OC)=C1C	REAL300000461753	0	43	-2.0	-99.11	371.53	4.24	-94.87
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000461754	0	36	-2.0	-94.90	343.49	3.41	-91.49
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC(OC)=C1C	REAL300000461755	1	46	-2.0	-101.52	389.47	6.32	-95.20
COC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC(OC)=C1C	REAL300000461756	1	46	-2.0	-104.33	387.43	6.30	-98.03
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=C(C)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000461757	0	42	-2.0	-101.07	365.48	4.42	-96.65
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1Cl	REAL300000461765	1	34	-2.0	-103.05	337.67	6.17	-96.88
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1Cl	REAL300000461767	1	31	-2.0	-101.45	325.38	5.12	-96.33
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1Cl	REAL300000461772	1	34	-2.0	-97.73	341.30	5.79	-91.94
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1Cl	REAL300000461781	1	31	-2.0	-96.59	324.45	5.22	-91.37
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1Cl	REAL300000461783	1	34	-2.0	-94.50	337.65	6.18	-88.32
COC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1Cl	REAL300000461784	0	35	-2.0	-105.34	339.49	4.66	-100.68
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1Cl	REAL300000461793	1	34	-2.0	-111.77	335.83	6.13	-105.64
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1Cl	REAL300000461794	0	33	-2.0	-102.63	329.18	4.16	-98.47
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1Cl	REAL300000461796	1	31	-2.0	-94.90	332.30	5.08	-89.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC(=O)NC(=O)C3)C=C2)=CC=C1	REAL300000461799	1	41	-2.0	-109.36	366.12	4.07	-105.29
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3CC(=O)NC(=O)C3)C=C2)=C1	REAL300000461800	0	38	-2.0	-103.74	359.31	3.10	-100.64
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CC(=O)NC(=O)C3)C=C2)C=C1C(=O)[O-]	REAL300000461801	1	42	-2.0	-107.81	372.78	3.43	-104.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC(=O)NC(=O)C3)C=C2)=CS1	REAL300000461802	0	38	-2.0	-106.08	357.77	3.12	-102.96
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC(=O)NC(=O)C3)C=C2)C=C(C(=O)[O-])O1	REAL300000461803	0	41	-2.0	-103.61	369.15	3.22	-100.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC(=O)NC(=O)C3)C=C2)S1	REAL300000461804	0	38	-2.0	-98.88	358.38	3.20	-95.68
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3CC(=O)NC(=O)C3)C=C2)=C1	REAL300000461805	0	40	-2.0	-107.14	362.34	2.20	-104.94
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000461806	0	37	-2.0	-83.10	351.51	2.96	-80.14
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000461807	0	30	-2.0	-98.48	299.58	4.41	-94.07
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1C	REAL300000461808	0	38	-2.0	-100.12	354.66	5.47	-94.65
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000461809	0	30	-2.0	-88.87	295.02	4.39	-84.48
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000461810	0	30	-2.0	-100.74	295.05	4.38	-96.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1C	REAL300000461811	0	34	-2.0	-106.35	323.19	4.18	-102.17
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000461812	0	34	-2.0	-88.92	326.49	5.68	-83.24
CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C=C1C(=O)[O-]	REAL300000461813	0	33	-2.0	-101.66	311.05	4.91	-96.75
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000461814	0	30	-2.0	-96.86	308.13	4.94	-91.92
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000461815	0	30	-2.0	-96.68	307.55	4.77	-91.91
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000461816	0	30	-2.0	-92.60	320.61	5.33	-87.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)=C1C	REAL300000461817	0	36	-2.0	-104.38	327.72	5.73	-98.65
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000461818	0	30	-2.0	-98.22	300.51	4.44	-93.78
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000461819	0	36	-2.0	-88.12	338.61	5.96	-82.16
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000461820	0	27	-2.0	-95.28	288.23	3.41	-91.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1C	REAL300000461821	0	33	-2.0	-102.36	310.48	5.17	-97.19
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000461822	0	34	-2.0	-87.48	326.11	4.67	-82.81
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000461823	0	31	-2.0	-99.12	301.68	3.74	-95.38
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1C	REAL300000461824	1	34	-2.0	-102.74	319.25	3.21	-99.53
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)=C1	REAL300000461825	0	30	-2.0	-91.48	304.16	4.05	-87.43
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C=C1C(=O)[O-]	REAL300000461826	0	36	-2.0	-103.49	326.51	5.70	-97.79
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000461827	0	27	-2.0	-96.65	286.69	3.41	-93.24
COC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)=CC(C(=O)[O-])=C1OC	REAL300000461828	0	38	-2.0	-101.14	353.37	4.19	-96.95
COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C=C1C(=O)[O-]	REAL300000461829	0	34	-2.0	-106.67	322.33	4.44	-102.23
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000461830	0	40	-2.0	-105.78	350.28	7.02	-98.76
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000461831	0	39	-2.0	-104.37	348.95	6.37	-98.00
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1C	REAL300000461832	0	36	-2.0	-100.98	325.01	6.09	-94.89
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1C	REAL300000461833	0	37	-2.0	-106.22	345.48	4.94	-101.28
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000461834	0	32	-3.0	-174.20	323.44	4.96	-169.24
CC1=C(Cl)C=NC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000461834	1	33	-2.0	-108.19	322.86	4.85	-103.34
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000461835	0	37	-2.0	-106.09	339.29	6.29	-99.80
CC1=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C=C(C(=O)[O-])O1	REAL300000461836	0	30	-2.0	-95.35	298.05	3.53	-91.82
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000461837	0	36	-2.0	-105.39	337.21	4.15	-101.24
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)=C1	REAL300000461838	0	34	-2.0	-101.03	323.97	3.47	-97.56
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000461839	0	38	-2.0	-87.89	347.96	4.99	-82.90
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000461840	0	30	-2.0	-90.64	322.71	5.22	-85.42
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000461841	0	30	-2.0	-93.82	312.64	4.99	-88.83
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000461842	0	34	-2.0	-86.21	342.14	5.20	-81.01
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)=CC=C1OCC(=O)[O-]	REAL300000461843	0	37	-2.0	-87.90	346.20	5.36	-82.54
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1C	REAL300000461844	0	33	-2.0	-93.05	315.75	5.20	-87.85
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)=CC=C1OCCCC(=O)[O-]	REAL300000461845	0	43	-2.0	-88.31	388.64	6.29	-82.02
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000461846	0	34	-2.0	-87.21	332.34	4.72	-82.49
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C=C1C(=O)[O-]	REAL300000461847	0	37	-2.0	-107.19	344.18	5.37	-101.82
CC1=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C=C(C(=O)[O-])S1	REAL300000461848	0	30	-2.0	-98.76	304.74	4.26	-94.50
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000461849	0	30	-2.0	-90.69	323.27	5.40	-85.29
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000461850	0	30	-2.0	-86.54	308.09	4.95	-81.59
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000461851	0	30	-2.0	-88.50	299.56	4.43	-84.07
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000461852	0	27	-2.0	-90.40	287.30	3.50	-86.90
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000461853	0	30	-2.0	-91.82	301.45	4.44	-87.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)=C1F	REAL300000461854	0	33	-2.0	-99.52	320.80	5.09	-94.43
COC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000461855	0	34	-2.0	-91.09	335.35	5.01	-86.08
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000461856	0	30	-2.0	-88.02	300.50	4.46	-83.56
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000461857	0	30	-2.0	-86.52	307.53	4.79	-81.73
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000461858	0	33	-2.0	-94.74	324.50	5.58	-89.16
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000461859	0	38	-2.0	-85.91	358.78	5.78	-80.13
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000461860	0	30	-2.0	-90.32	305.86	4.48	-85.84
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000461861	0	32	-2.0	-86.26	323.23	5.04	-81.22
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000461862	0	31	-2.0	-101.39	304.76	2.09	-99.30
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000461863	0	33	-2.0	-92.51	317.21	5.15	-87.36
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000461864	0	30	-2.0	-91.59	315.74	4.91	-86.68
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000461865	0	33	-2.0	-96.64	305.08	5.00	-91.64
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)=CC(C(=O)[O-])=C1F	REAL300000461866	0	33	-2.0	-99.72	319.88	5.03	-94.69
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1C	REAL300000461867	0	33	-2.0	-89.30	310.45	5.16	-84.14
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)=CC(C(=O)[O-])=C1C	REAL300000461868	0	36	-2.0	-103.46	328.50	5.47	-97.99
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000461869	0	32	-2.0	-99.69	321.60	5.45	-94.24
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000461870	0	30	-2.0	-89.93	306.77	4.51	-85.42
CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C(C)=C1C(=O)[O-]	REAL300000461871	0	36	-2.0	-100.80	329.52	5.77	-95.03
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C=C1C(=O)[O-]	REAL300000461872	0	33	-2.0	-100.42	320.37	5.08	-95.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)=C1Cl	REAL300000461873	0	33	-2.0	-98.46	326.80	5.52	-92.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)=C1	REAL300000461874	0	33	-2.0	-104.72	320.08	5.07	-99.65
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C=C1C(=O)[O-]	REAL300000461875	0	36	-2.0	-102.37	329.36	5.56	-96.81
COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C=C1CC(=O)[O-]	REAL300000461876	0	37	-2.0	-102.50	345.51	4.50	-98.00
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000461877	0	33	-2.0	-90.20	321.31	5.57	-84.63
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000461878	0	33	-2.0	-85.60	325.16	5.20	-80.40
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000461879	0	33	-2.0	-98.31	326.27	5.34	-92.97
CCN1C=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C=C1C(=O)[O-]	REAL300000461880	0	34	-2.0	-100.32	323.07	4.60	-95.72
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C(C)=C1CC(=O)[O-]	REAL300000461881	1	42	-2.0	-100.36	360.19	7.25	-93.11
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000461882	0	30	-2.0	-88.92	320.65	4.93	-83.99
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000461883	0	33	-2.0	-95.36	328.81	5.45	-89.91
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000461884	0	39	-2.0	-98.72	344.49	6.50	-92.22
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C=C1C(=O)[O-]	REAL300000461885	0	34	-2.0	-102.38	335.37	5.02	-97.36
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)=CC=C1C(=O)[O-]	REAL300000461886	0	33	-2.0	-88.91	311.05	4.94	-83.97
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000461887	0	35	-2.0	-93.38	338.29	6.56	-86.82
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1C	REAL300000461888	0	33	-2.0	-100.26	314.59	5.21	-95.05
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000461889	0	32	-2.0	-107.40	318.78	6.23	-101.17
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000461890	0	30	-2.0	-104.13	298.69	4.39	-99.74
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C=C1C(=O)[O-]	REAL300000461891	0	33	-2.0	-93.59	319.99	5.05	-88.54
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000461892	0	36	-2.0	-108.55	336.08	6.51	-102.04
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000461893	0	29	-2.0	-98.34	292.04	2.45	-95.89
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1C	REAL300000461894	0	34	-2.0	-92.80	323.24	4.19	-88.61
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000461895	0	27	-2.0	-89.22	295.15	3.36	-85.86
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000461896	0	37	-2.0	-95.51	341.16	6.25	-89.26
CC1=C(Cl)C=NC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000461897	0	37	-2.0	-97.18	339.12	6.23	-90.95
CCC1=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2C)C=C(C(=O)[O-])O1	REAL300000461898	0	33	-2.0	-95.37	315.52	4.33	-91.04
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Br	REAL300000461899	1	29	-2.0	-93.08	310.72	5.93	-87.15
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Br	REAL300000461900	1	29	-2.0	-83.78	306.17	5.91	-77.87
N#CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300000461901	1	29	-2.0	-94.90	306.19	5.90	-89.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000461902	1	32	-2.0	-97.17	326.26	6.55	-90.62
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1Br	REAL300000461903	0	29	-2.0	-91.62	311.66	5.97	-85.65
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Br	REAL300000461904	0	26	-2.0	-89.71	299.37	4.92	-84.79
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Br)C(C#N)=C1	REAL300000461905	1	32	-2.0	-95.84	321.63	6.69	-89.15
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Br)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000461906	0	30	-2.0	-93.68	312.83	5.25	-88.43
N#CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Br	REAL300000461907	0	26	-2.0	-91.13	297.83	4.94	-86.19
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000461908	0	29	-2.0	-89.85	309.19	5.05	-84.80
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Br	REAL300000461909	1	29	-2.0	-83.79	310.71	5.94	-77.85
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Br	REAL300000461910	0	26	-2.0	-85.20	298.46	5.03	-80.17
N#CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300000461911	1	29	-2.0	-86.38	312.59	5.97	-80.41
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1Br	REAL300000461912	0	29	-2.0	-82.91	311.65	5.97	-76.94
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Br	REAL300000461913	0	30	-2.0	-94.77	315.90	3.61	-91.16
N#CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Br	REAL300000461913	1	30	-2.0	-96.53	304.94	4.50	-92.03
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Br	REAL300000461914	1	32	-2.0	-86.62	328.35	6.69	-79.93
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Br)C(C#N)=C1	REAL300000461915	1	32	-2.0	-91.65	316.24	6.54	-85.11
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Br)C(C#N)=C1	REAL300000461916	1	32	-2.0	-84.40	321.57	6.68	-77.72
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Br)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000461917	0	33	-2.0	-94.81	334.21	6.11	-88.70
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000461918	1	32	-2.0	-83.98	322.19	6.45	-77.53
N#CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1Br	REAL300000461919	0	29	-2.0	-98.99	309.84	5.94	-93.05
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Br	REAL300000461920	0	28	-2.0	-91.61	303.17	3.96	-87.65
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000461921	0	32	-2.0	-89.84	328.32	5.90	-83.94
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000461924	1	38	-2.0	-102.88	351.18	4.62	-98.26
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1O	REAL300000461925	0	42	-2.0	-108.59	379.32	4.42	-104.17
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1O	REAL300000461926	1	42	-2.0	-91.26	382.64	5.93	-85.33
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1O	REAL300000461928	0	38	-2.0	-99.20	364.25	5.20	-94.00
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1O	REAL300000461929	1	38	-2.0	-98.97	363.68	5.02	-93.95
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1O	REAL300000461931	0	38	-2.0	-100.39	356.65	4.69	-95.70
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1O	REAL300000461932	1	44	-2.0	-90.39	394.74	6.22	-84.17
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1O	REAL300000461933	0	35	-2.0	-97.95	344.36	3.64	-94.31
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1O	REAL300000461936	1	39	-2.0	-101.50	357.82	3.97	-97.53
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1O	REAL300000461938	0	38	-2.0	-93.88	360.29	4.31	-89.57
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1O	REAL300000461940	1	35	-2.0	-98.89	342.83	3.66	-95.23
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=CC=C1O	REAL300000461942	1	44	-2.0	-103.03	381.33	6.35	-96.68
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1O	REAL300000461943	0	38	-2.0	-97.81	354.18	3.77	-94.04
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1O	REAL300000461944	0	42	-2.0	-104.07	380.16	3.72	-100.35
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1O	REAL300000461945	1	41	-2.0	-95.31	371.89	5.44	-89.87
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1O	REAL300000461946	1	38	-2.0	-101.06	359.77	4.52	-96.54
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1O	REAL300000461947	0	38	-2.0	-89.15	364.23	5.18	-83.97
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1O	REAL300000461948	1	38	-2.0	-91.21	355.69	4.67	-86.54
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1O	REAL300000461949	0	35	-2.0	-92.85	343.44	3.76	-89.09
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000461950	1	38	-2.0	-94.65	357.58	4.70	-89.95
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1O	REAL300000461951	0	41	-2.0	-101.70	376.94	5.33	-96.37
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1O	REAL300000461952	0	38	-2.0	-90.65	356.64	4.69	-85.96
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1O	REAL300000461953	1	38	-2.0	-89.14	363.66	5.03	-84.11
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1O	REAL300000461954	0	39	-2.0	-103.24	360.89	2.34	-100.90
CCOC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1O	REAL300000461954	1	39	-2.0	-105.85	360.09	3.13	-102.72
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1O	REAL300000461955	1	41	-2.0	-94.62	373.34	5.42	-89.20
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1O	REAL300000461961	0	41	-2.0	-101.38	372.65	5.22	-96.16
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1O	REAL300000461962	0	41	-2.0	-107.60	376.21	5.31	-102.29
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=CC=C1O	REAL300000461964	1	42	-2.0	-103.21	379.19	4.84	-98.37
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1O	REAL300000461967	0	38	-2.0	-106.89	354.79	4.66	-102.23
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1O	REAL300000461968	1	41	-2.0	-95.85	376.11	5.30	-90.55
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1O	REAL300000461969	0	37	-2.0	-100.27	348.16	2.67	-97.60
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1O	REAL300000461970	0	42	-2.0	-95.49	379.38	4.43	-91.06
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1O	REAL300000461971	0	35	-2.0	-91.69	351.32	3.61	-88.08
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=CC=C1O	REAL300000461972	0	41	-2.0	-97.67	373.30	4.62	-93.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OCC(F)F)C=C1	REAL300000461973	0	35	-2.0	-100.25	346.49	6.12	-94.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OCC(F)F)=C1	REAL300000461974	0	35	-2.0	-112.68	346.51	6.11	-106.57
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OCC(F)F)=C1	REAL300000461975	0	32	-2.0	-107.01	339.70	5.12	-101.89
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000461976	0	36	-2.0	-111.20	353.16	5.47	-105.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OCC(F)F)=CS1	REAL300000461977	0	32	-2.0	-108.41	338.16	5.14	-103.27
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OCC(F)F)C=C(C(=O)[O-])O1	REAL300000461978	0	35	-2.0	-106.09	349.52	5.25	-100.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OCC(F)F)S1	REAL300000461979	0	32	-2.0	-102.07	338.77	5.24	-96.83
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2OCC(F)F)=C1	REAL300000461980	0	34	-2.0	-110.58	342.72	4.22	-106.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2N2CCCCC2)C=C1	REAL300000461981	1	43	-2.0	-91.73	375.35	6.79	-84.94
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2N2CCCCC2)=C1	REAL300000461982	1	43	-2.0	-104.19	375.36	6.78	-97.41
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2N2CCCCC2)C=C1C(=O)[O-]	REAL300000461983	0	44	-2.0	-102.51	382.00	6.13	-96.38
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2N2CCCCC2)=C1	REAL300000461984	0	42	-2.0	-101.91	371.57	4.90	-97.01
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1O	REAL300000461985	0	41	-2.0	-94.72	371.95	2.63	-92.09
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000461986	0	34	-2.0	-110.86	321.53	4.15	-106.71
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)=O)=C1O	REAL300000461987	0	42	-2.0	-110.98	376.61	5.20	-105.78
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300000461988	0	34	-2.0	-101.54	314.70	4.03	-97.51
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1O	REAL300000461989	0	34	-2.0	-113.47	316.99	4.11	-109.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)=O)=C1O	REAL300000461990	0	38	-2.0	-117.97	343.62	3.84	-114.13
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1O	REAL300000461991	0	38	-2.0	-100.76	346.17	5.32	-95.44
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000461992	0	37	-2.0	-114.40	330.72	4.55	-109.85
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1O	REAL300000461993	0	34	-2.0	-108.35	330.06	4.70	-103.65
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000461994	0	34	-2.0	-109.07	327.22	4.41	-104.66
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1O	REAL300000461995	0	40	-2.0	-114.94	350.09	5.44	-109.50
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1O	REAL300000461996	0	34	-2.0	-110.52	322.46	4.18	-106.34
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1O	REAL300000461997	0	40	-2.0	-100.20	358.29	5.60	-94.60
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1O	REAL300000461998	0	31	-2.0	-107.80	307.89	3.04	-104.76
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1O	REAL300000461999	0	37	-2.0	-112.88	330.14	4.80	-108.08
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1O	REAL300000462000	0	38	-2.0	-99.62	348.07	4.39	-95.23
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1O	REAL300000462001	0	35	-2.0	-113.11	321.36	3.36	-109.75
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1O	REAL300000462002	0	38	-2.0	-113.20	339.68	2.85	-110.35
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1O	REAL300000462003	0	34	-2.0	-104.54	326.10	3.79	-100.75
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1O	REAL300000462004	0	40	-2.0	-115.95	346.94	5.36	-110.59
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1O	REAL300000462005	0	31	-2.0	-109.07	306.36	3.05	-106.02
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)=O)=C2O)=CC(C(=O)[O-])=C1OC	REAL300000462006	0	42	-2.0	-114.17	375.32	3.92	-110.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)=O)=C2O)C=C1C(=O)[O-]	REAL300000462007	0	38	-2.0	-120.87	342.77	4.11	-116.76
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1O	REAL300000462008	0	44	-2.0	-117.03	370.73	6.67	-110.36
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1O	REAL300000462009	0	43	-2.0	-115.04	369.38	6.05	-108.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)=O)=C1O	REAL300000462010	0	40	-2.0	-112.62	347.11	5.84	-106.78
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)=O)=C1O	REAL300000462011	0	41	-2.0	-119.47	367.42	4.68	-114.79
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000462012	0	36	-3.0	-191.17	343.89	4.60	-186.57
CC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000462012	1	37	-2.0	-109.57	343.09	4.52	-105.05
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1O	REAL300000462013	0	41	-2.0	-117.53	361.23	6.01	-111.52
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1O	REAL300000462014	0	34	-2.0	-106.75	318.49	3.17	-103.58
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1O	REAL300000462015	0	40	-2.0	-119.81	357.64	3.81	-116.00
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1O	REAL300000462016	0	38	-2.0	-115.38	343.63	3.10	-112.28
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1O	REAL300000462017	0	42	-2.0	-99.56	368.41	4.64	-94.92
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1O	REAL300000462018	0	34	-2.0	-105.00	334.58	4.71	-100.29
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1O	REAL300000462019	0	38	-2.0	-97.81	362.58	4.86	-92.95
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1O	REAL300000462020	0	41	-2.0	-99.94	366.65	5.03	-94.91
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1O	REAL300000462021	0	37	-2.0	-104.04	336.20	4.85	-99.19
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1O	REAL300000462022	0	38	-2.0	-98.90	354.28	4.46	-94.44
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)=O)=C2O)C=C1C(=O)[O-]	REAL300000462023	0	41	-2.0	-119.88	366.14	5.09	-114.79
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1O	REAL300000462024	0	34	-2.0	-110.91	324.40	3.90	-107.01
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1O	REAL300000462025	0	34	-2.0	-99.16	328.53	4.61	-94.55
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1O	REAL300000462026	0	34	-2.0	-101.03	319.99	4.08	-96.95
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1O	REAL300000462027	0	31	-2.0	-103.80	307.74	3.17	-100.63
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1O	REAL300000462028	0	34	-2.0	-104.50	323.40	4.18	-100.32
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1O	REAL300000462029	0	37	-2.0	-112.01	342.73	4.82	-107.19
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)=O)=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000462030	0	38	-2.0	-103.74	355.02	4.64	-99.10
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1O	REAL300000462031	0	34	-2.0	-101.66	322.45	4.19	-97.47
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1O	REAL300000462032	0	34	-2.0	-99.16	327.97	4.44	-94.72
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1O	REAL300000462033	0	37	-2.0	-105.65	346.44	5.32	-100.33
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1O	REAL300000462034	0	42	-2.0	-97.25	378.45	5.43	-91.82
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000462035	0	34	-2.0	-103.85	327.81	4.21	-99.64
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1O	REAL300000462036	0	36	-2.0	-98.54	342.90	4.69	-93.85
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1O	REAL300000462037	0	35	-2.0	-111.58	325.19	1.75	-109.83
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1O	REAL300000462038	0	37	-2.0	-106.82	337.66	4.81	-102.01
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000462039	0	34	-2.0	-105.25	336.19	4.57	-100.68
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1O	REAL300000462040	0	37	-2.0	-111.75	325.52	4.67	-107.08
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000462041	0	37	-2.0	-113.97	341.82	4.77	-109.20
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1O	REAL300000462042	0	37	-2.0	-101.39	332.40	4.88	-96.51
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000462043	0	40	-2.0	-118.18	348.95	5.12	-113.06
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1O	REAL300000462044	0	36	-2.0	-113.45	343.54	5.21	-108.24
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1O	REAL300000462045	0	34	-2.0	-102.53	327.22	4.16	-98.37
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1O	REAL300000462046	0	40	-2.0	-116.01	349.96	5.43	-110.58
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1O	REAL300000462047	0	37	-2.0	-111.62	338.46	4.72	-106.90
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1O	REAL300000462048	0	37	-2.0	-110.20	348.77	5.25	-104.95
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1O	REAL300000462049	0	37	-2.0	-121.21	342.00	4.81	-116.40
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)=O)=C2O)C=C1C(=O)[O-]	REAL300000462050	0	40	-2.0	-115.25	349.80	5.23	-110.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)=O)=C2O)C=C1CC(=O)[O-]	REAL300000462051	0	41	-2.0	-114.40	365.95	4.17	-110.23
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1O	REAL300000462052	0	37	-2.0	-103.52	341.74	5.22	-98.30
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000462053	0	37	-2.0	-112.69	346.70	5.00	-107.69
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)=O)=C2O)C=C1C(=O)[O-]	REAL300000462054	0	38	-2.0	-113.22	343.43	4.24	-108.98
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1O	REAL300000462055	0	46	-2.0	-112.83	379.62	6.87	-105.96
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000462056	0	37	-2.0	-108.44	346.86	5.08	-103.36
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1O	REAL300000462057	0	43	-2.0	-110.82	366.43	6.25	-104.57
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)=O)=C2O)C=C1C(=O)[O-]	REAL300000462058	0	38	-2.0	-113.75	357.31	4.74	-109.01
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1O	REAL300000462059	0	37	-2.0	-101.79	330.71	4.56	-97.23
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1O	REAL300000462060	0	39	-2.0	-105.70	358.73	6.24	-99.46
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1O	REAL300000462061	0	37	-2.0	-110.23	335.43	4.85	-105.38
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1O	REAL300000462062	0	36	-2.0	-123.55	340.71	5.96	-117.59
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1O	REAL300000462063	0	34	-2.0	-118.13	318.34	4.05	-114.08
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000462064	0	37	-2.0	-106.54	336.65	4.61	-101.93
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1O	REAL300000462065	0	40	-2.0	-121.80	358.03	6.24	-115.56
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1O	REAL300000462066	0	33	-2.0	-112.46	310.92	2.13	-110.33
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)=O)=C1O	REAL300000462067	0	38	-2.0	-105.68	343.68	3.83	-101.85
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1O	REAL300000462068	0	31	-2.0	-101.37	317.09	3.09	-98.28
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1O	REAL300000462069	0	41	-2.0	-107.08	360.84	5.91	-101.17
CC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1O	REAL300000462070	0	41	-2.0	-112.50	358.79	5.89	-106.61
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)=O)=C2O)C=C(C(=O)[O-])O1	REAL300000462071	0	37	-2.0	-106.15	339.12	4.10	-102.05
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C2=C1	REAL300000462072	1	34	-2.0	-113.55	321.53	2.48	-111.07
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C2=C1	REAL300000462073	1	34	-2.0	-98.83	316.96	2.46	-96.37
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C2=C1	REAL300000462074	1	34	-2.0	-114.96	316.99	2.45	-112.51
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)C2=C1	REAL300000462075	1	38	-2.0	-114.70	339.92	2.29	-112.41
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C2=C1	REAL300000462076	1	38	-2.0	-98.05	348.43	3.75	-94.30
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C2=C1	REAL300000462077	1	37	-2.0	-104.91	333.00	2.99	-101.92
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C2=C1	REAL300000462078	1	34	-2.0	-106.16	319.26	2.51	-103.65
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C2=C1	REAL300000462079	1	34	-2.0	-111.30	329.50	2.84	-108.46
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C2=C1	REAL300000462080	1	40	-2.0	-102.84	344.65	4.28	-98.56
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C2=C1	REAL300000462081	1	34	-2.0	-106.49	318.10	2.34	-104.15
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C2=C1	REAL300000462082	1	40	-2.0	-98.28	360.55	4.04	-94.24
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C2=C1	REAL300000462083	1	31	-2.0	-107.57	310.17	1.48	-106.09
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C2=C1	REAL300000462084	1	37	-2.0	-101.93	328.21	3.70	-98.23
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C2=C1	REAL300000462085	1	38	-2.0	-97.42	348.04	2.74	-94.68
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C2=C1	REAL300000462086	1	35	-2.0	-103.93	323.61	1.82	-102.11
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C2=C1	REAL300000462087	1	38	-2.0	-102.50	336.38	1.80	-100.70
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C2=C1	REAL300000462088	1	34	-2.0	-98.55	326.11	2.14	-96.41
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C2=C1	REAL300000462089	1	40	-2.0	-102.24	343.99	4.28	-97.96
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C2=C1	REAL300000462090	1	31	-2.0	-101.73	308.62	1.50	-100.23
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(OC)C(C(=O)[O-])=C3)C2=C1	REAL300000462091	1	38	-2.0	-109.95	344.26	2.53	-107.42
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)C2=C1	REAL300000462092	1	43	-2.0	-102.82	367.09	4.90	-97.92
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1[N-]C(=O)C2=CC=C(OC)C=C21	REAL300000462093	0	40	-2.0	-102.02	345.03	4.61	-97.41
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(CC(=O)[O-])=CC=C3OC)C2=C1	REAL300000462094	1	41	-2.0	-110.85	362.26	3.07	-107.78
COC1=CC=C2C(=O)NN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C2=C1	REAL300000462095	0	37	-2.0	-110.25	348.80	3.85	-106.40
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C2=C1	REAL300000462095	1	36	-3.0	-182.15	345.38	3.02	-179.13
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C2=C1	REAL300000462096	1	41	-2.0	-115.27	349.96	3.95	-111.32
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C2=C1	REAL300000462097	1	34	-2.0	-105.63	313.56	1.36	-104.27
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C2=C1	REAL300000462098	1	38	-2.0	-106.82	338.59	1.64	-105.18
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(C)=C3)C2=C1	REAL300000462099	1	41	-2.0	-97.57	368.12	3.44	-94.13
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C2=C1	REAL300000462100	1	37	-2.0	-94.77	332.81	3.78	-90.99
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C2=C1	REAL300000462101	1	38	-2.0	-98.81	354.29	2.80	-96.01
CCOC1=CC=C(S(=O)(=O)N2[N-]C(=O)C3=CC=C(OC)C=C32)C=C1C(=O)[O-]	REAL300000462102	0	41	-2.0	-121.84	366.12	3.44	-118.40
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C2=C1	REAL300000462103	1	34	-2.0	-99.62	323.08	2.63	-96.99
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C2=C1	REAL300000462104	1	34	-2.0	-96.49	319.26	2.50	-93.99
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C2=C1	REAL300000462105	1	34	-2.0	-99.94	321.49	2.49	-97.45
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C2=C1	REAL300000462106	1	31	-2.0	-98.00	309.25	1.58	-96.42
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C2=C1	REAL300000462107	1	34	-2.0	-105.33	323.38	2.52	-102.81
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C2=C1	REAL300000462108	1	37	-2.0	-107.58	338.41	2.99	-104.59
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C2=C1	REAL300000462109	1	34	-2.0	-96.83	318.08	2.36	-94.47
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C2=C1	REAL300000462110	1	34	-2.0	-97.20	329.46	2.85	-94.35
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)C2=C1	REAL300000462111	1	37	-2.0	-95.70	341.50	4.16	-91.54
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C2=C1	REAL300000462112	1	34	-2.0	-96.34	327.80	2.54	-93.80
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C2=C1	REAL300000462113	1	36	-2.0	-92.91	345.17	3.12	-89.79
COC1=CC=C2C(=O)NN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000462114	0	35	-2.0	-107.09	321.34	1.92	-105.17
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C2=C1	REAL300000462115	1	37	-2.0	-104.20	339.15	3.24	-100.96
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C2=C1	REAL300000462116	1	37	-2.0	-113.31	322.41	3.59	-109.72
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C2=C1	REAL300000462117	1	37	-2.0	-103.82	341.81	3.10	-100.72
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C2=C1	REAL300000462118	1	37	-2.0	-97.35	328.19	3.69	-93.66
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C2=C1	REAL300000462119	1	40	-2.0	-117.30	349.85	3.52	-113.78
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C2=C1	REAL300000462120	1	36	-2.0	-100.66	341.20	3.57	-97.09
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C2=C1	REAL300000462121	1	34	-2.0	-98.57	324.37	2.41	-96.16
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C2=C1	REAL300000462122	1	40	-2.0	-117.11	346.51	4.37	-112.74
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C2=C1	REAL300000462123	1	37	-2.0	-108.41	337.95	2.98	-105.43
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3Cl)C2=C1	REAL300000462124	1	37	-2.0	-107.73	337.99	3.09	-104.64
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C2=C1	REAL300000462125	1	37	-2.0	-110.49	337.72	2.98	-107.51
CCC1=CC=C(S(=O)(=O)N2[N-]C(=O)C3=CC=C(OC)C=C32)C=C1C(=O)[O-]	REAL300000462126	0	40	-2.0	-105.35	351.21	3.63	-101.72
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(OC)C(CC(=O)[O-])=C3)C2=C1	REAL300000462127	1	41	-2.0	-119.91	367.44	2.58	-117.33
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)C2=C1	REAL300000462128	1	37	-2.0	-105.16	339.12	4.10	-101.06
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C)=C(Cl)C(C(=O)[O-])=C3)C2=C1	REAL300000462129	1	37	-2.0	-102.12	348.20	3.41	-98.71
CCN1C=C(S(=O)(=O)N2[N-]C(=O)C3=CC=C(OC)C=C32)C=C1C(=O)[O-]	REAL300000462130	0	38	-2.0	-104.99	344.99	2.68	-102.31
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)C2=C1	REAL300000462131	1	37	-2.0	-99.99	350.72	3.52	-96.47
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C2=C1	REAL300000462132	1	37	-2.0	-98.29	332.99	3.00	-95.29
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C2=C1	REAL300000462133	1	37	-2.0	-99.76	332.04	3.78	-95.98
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C2=C1	REAL300000462134	1	36	-2.0	-112.76	325.23	3.59	-109.17
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C2=C1	REAL300000462135	1	34	-2.0	-110.16	316.33	2.32	-107.84
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C2=C1	REAL300000462136	1	37	-2.0	-98.69	341.92	3.13	-95.56
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C2=C1	REAL300000462137	1	40	-2.0	-123.82	358.02	4.58	-119.24
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C2=C1	REAL300000462138	1	33	-2.0	-103.29	313.19	0.58	-102.71
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3OC)C2=C1	REAL300000462139	1	38	-2.0	-101.30	339.93	2.30	-99.00
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C2=C1	REAL300000462140	1	31	-2.0	-99.08	311.11	1.19	-97.89
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C2=C1	REAL300000462141	1	41	-2.0	-105.91	363.10	4.34	-101.57
COC1=CC=C2C(=O)[N-]N(S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C2=C1	REAL300000462142	1	41	-2.0	-102.25	362.42	4.34	-97.91
CCC1=C(S(=O)(=O)N2[N-]C(=O)C3=CC=C(OC)C=C32)C=C(C(=O)[O-])O1	REAL300000462143	0	37	-2.0	-105.58	325.16	1.62	-103.96
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(F)C=C1Br	REAL300000462146	0	28	-2.0	-100.81	300.11	5.39	-95.42
CC1=C(S(=O)(=O)[N-]C2=C(F)C=C(Br)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000462149	1	31	-2.0	-101.06	309.94	5.51	-95.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(F)C=C1Br	REAL300000462150	1	28	-2.0	-95.70	299.18	5.50	-90.20
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(F)C=C1Br	REAL300000462151	0	30	-2.0	-104.67	303.90	4.43	-100.24
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C1CC1	REAL300000462152	0	42	-2.0	-99.77	379.41	4.30	-95.47
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000462153	0	35	-2.0	-116.75	327.49	5.75	-111.00
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C2CC2)=C1	REAL300000462154	0	43	-2.0	-118.24	382.55	6.84	-111.40
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C1CC1	REAL300000462155	0	35	-2.0	-106.34	322.94	5.72	-100.62
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C1CC1	REAL300000462156	0	35	-2.0	-119.67	322.96	5.71	-113.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C2CC2)=C1	REAL300000462157	0	39	-2.0	-125.66	351.08	5.53	-120.13
CN1N=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C1CC1	REAL300000462158	0	39	-2.0	-106.01	354.40	7.01	-99.00
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000462159	0	38	-2.0	-121.09	338.98	6.25	-114.84
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C1CC1	REAL300000462160	0	35	-2.0	-115.18	336.01	6.28	-108.90
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000462161	0	35	-2.0	-115.27	335.46	6.11	-109.16
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=C1C1CC1	REAL300000462162	0	35	-2.0	-110.53	348.51	6.65	-103.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)=C1C	REAL300000462163	0	41	-2.0	-122.76	355.60	7.07	-115.69
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C1CC1	REAL300000462164	0	35	-2.0	-117.12	328.41	5.78	-111.34
CN1N=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C1CC1	REAL300000462165	0	41	-2.0	-105.35	366.52	7.31	-98.04
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C1CC1	REAL300000462166	0	32	-2.0	-113.49	316.13	4.74	-108.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C2CC2)=C1	REAL300000462167	0	38	-2.0	-120.58	338.37	6.49	-114.09
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C1CC1	REAL300000462168	0	39	-2.0	-104.70	354.02	6.00	-98.70
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000462169	0	36	-2.0	-117.94	329.60	5.06	-112.88
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C2CC2)=C1	REAL300000462170	0	39	-2.0	-121.17	346.73	4.55	-116.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)=C1	REAL300000462171	0	35	-2.0	-109.40	332.05	5.40	-104.00
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000462172	0	41	-2.0	-122.01	354.39	7.02	-114.99
CN1N=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C1CC1	REAL300000462173	0	32	-2.0	-115.07	314.62	4.74	-110.33
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)=CC(C(=O)[O-])=C1OC	REAL300000462174	0	43	-2.0	-119.77	381.27	5.53	-114.24
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000462175	0	39	-2.0	-125.49	350.25	5.78	-119.71
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1C1CC1	REAL300000462176	0	45	-2.0	-124.80	378.17	8.34	-116.46
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C2CC2)=C1	REAL300000462177	0	44	-2.0	-123.09	376.84	7.72	-115.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C2CC2)=C1	REAL300000462178	0	41	-2.0	-118.66	353.07	7.43	-111.23
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C2CC2)=C1	REAL300000462179	0	42	-2.0	-125.56	373.35	6.30	-119.26
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C1CC1	REAL300000462180	0	37	-3.0	-195.47	351.36	6.28	-189.19
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C1CC1	REAL300000462181	0	42	-2.0	-125.14	367.18	7.60	-117.54
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C(C(=O)[O-])O1	REAL300000462182	0	35	-2.0	-112.82	325.95	4.86	-107.96
CN1N=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000462183	0	41	-2.0	-124.47	365.13	5.49	-118.98
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)=C1	REAL300000462184	0	39	-2.0	-120.81	351.86	4.82	-115.99
CN1N=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1C1CC1	REAL300000462185	0	43	-2.0	-106.36	376.58	6.34	-100.02
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000462186	0	35	-2.0	-108.71	350.64	6.57	-102.14
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C1CC1	REAL300000462187	0	35	-2.0	-111.44	340.53	6.30	-105.14
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1C1CC1	REAL300000462188	0	39	-2.0	-103.02	370.05	6.54	-96.48
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)=CC=C1OCC(=O)[O-]	REAL300000462189	0	42	-2.0	-105.19	374.11	6.71	-98.48
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=C1C1CC1	REAL300000462190	0	45	-2.0	-103.56	402.71	6.97	-96.59
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C2CC2)=C1	REAL300000462191	0	38	-2.0	-110.59	343.64	6.53	-104.06
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)=CC=C1OCCCC(=O)[O-]	REAL300000462192	0	48	-2.0	-105.28	416.55	7.64	-97.64
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C1CC1	REAL300000462193	0	39	-2.0	-103.83	360.25	6.06	-97.77
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000462194	0	42	-2.0	-126.21	372.09	6.69	-119.52
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C(C(=O)[O-])S1	REAL300000462195	0	35	-2.0	-116.39	332.62	5.60	-110.79
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C1C1CC1	REAL300000462196	0	35	-2.0	-108.62	351.16	6.72	-101.90
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C1CC1	REAL300000462197	0	35	-2.0	-103.82	335.99	6.27	-97.55
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C1CC1	REAL300000462198	0	35	-2.0	-105.51	327.49	5.76	-99.75
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C1CC1	REAL300000462199	0	32	-2.0	-108.08	315.19	4.84	-103.24
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C1CC1	REAL300000462200	0	35	-2.0	-110.10	329.37	5.78	-104.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)=C1F	REAL300000462201	0	38	-2.0	-118.62	348.70	6.42	-112.20
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000462202	0	39	-2.0	-108.30	363.24	6.32	-101.98
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C1CC1	REAL300000462203	0	35	-2.0	-105.87	328.40	5.79	-100.08
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C1CC1	REAL300000462204	0	35	-2.0	-103.76	335.46	6.12	-97.64
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C2CC2)=C1	REAL300000462205	0	38	-2.0	-112.34	352.38	6.91	-105.43
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C1CC1	REAL300000462206	0	43	-2.0	-102.54	386.69	7.13	-95.41
CN1N=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000462207	0	35	-2.0	-107.79	333.78	5.81	-101.98
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C1CC1	REAL300000462208	0	37	-2.0	-103.96	351.15	6.39	-97.57
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C1CC1	REAL300000462209	0	36	-2.0	-119.33	332.66	3.44	-115.89
CN1N=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C1CC1	REAL300000462210	0	38	-2.0	-110.41	345.12	6.50	-103.91
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000462211	0	35	-2.0	-109.39	343.67	6.25	-103.14
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C2CC2)=C1	REAL300000462212	0	38	-2.0	-115.57	333.01	6.34	-109.23
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)=CC(C(=O)[O-])=C1F	REAL300000462213	0	38	-2.0	-118.09	347.80	6.37	-111.72
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C2CC2)=C1	REAL300000462214	0	38	-2.0	-106.40	338.35	6.47	-99.93
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)=CC(C(=O)[O-])=C1C	REAL300000462215	0	41	-2.0	-124.43	359.78	6.89	-117.54
CN1N=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000462216	0	37	-2.0	-116.97	349.51	6.81	-110.16
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C1CC1	REAL300000462217	0	35	-2.0	-108.30	334.69	5.84	-102.46
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C(C)=C1C(=O)[O-]	REAL300000462218	0	41	-2.0	-120.07	356.32	7.12	-112.95
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000462219	0	38	-2.0	-119.51	348.25	6.41	-113.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)=C1Cl	REAL300000462220	0	38	-2.0	-117.04	354.70	6.84	-110.20
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)=C1	REAL300000462221	0	38	-2.0	-124.58	347.97	6.41	-118.17
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000462222	0	41	-2.0	-121.86	356.92	6.90	-114.96
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C1CC(=O)[O-]	REAL300000462223	0	42	-2.0	-121.28	373.42	5.85	-115.43
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C)C(C2CC2)=C1	REAL300000462224	0	38	-2.0	-108.59	349.20	6.90	-101.69
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1C1CC1	REAL300000462225	0	38	-2.0	-102.62	353.08	6.52	-96.10
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000462226	0	38	-2.0	-117.10	354.19	6.67	-110.43
CCN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000462227	0	39	-2.0	-119.29	350.98	5.94	-113.35
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C(C)=C1CC(=O)[O-]	REAL300000462228	0	47	-2.0	-120.46	388.10	8.59	-111.87
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=C1C1CC1	REAL300000462229	0	35	-2.0	-106.67	348.53	6.27	-100.40
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000462230	0	38	-2.0	-112.83	352.83	6.68	-106.15
CN1N=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C1CC1	REAL300000462231	0	44	-2.0	-116.22	372.38	7.81	-108.41
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000462232	0	39	-2.0	-120.73	363.25	6.34	-114.39
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)=CC=C1C(=O)[O-]	REAL300000462233	0	38	-2.0	-106.57	338.97	6.26	-100.31
CN1N=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C1CC1	REAL300000462234	0	40	-2.0	-111.23	363.66	7.89	-103.34
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C2CC2)=C1	REAL300000462235	0	38	-2.0	-117.82	342.48	6.55	-111.27
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C1CC1	REAL300000462236	0	37	-2.0	-126.86	346.69	7.57	-119.29
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C1CC1	REAL300000462237	0	35	-2.0	-123.83	326.58	5.74	-118.09
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000462238	0	38	-2.0	-111.04	344.12	6.29	-104.75
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C1CC1	REAL300000462239	0	41	-2.0	-128.21	364.00	7.84	-120.37
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C1CC1	REAL300000462240	0	34	-2.0	-116.89	319.92	3.77	-113.12
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C2CC2)=C1	REAL300000462241	0	39	-2.0	-111.10	351.14	5.52	-105.58
CN1N=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C1CC1	REAL300000462242	0	32	-2.0	-106.44	323.04	4.68	-101.76
CN1N=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C1CC1	REAL300000462243	0	42	-2.0	-113.34	369.08	7.60	-105.74
CN1N=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C1CC1	REAL300000462244	0	42	-2.0	-117.37	368.39	7.60	-109.77
CCC1=C(S(=O)(=O)[N-]C2=NN(C)C(C3CC3)=C2)C=C(C(=O)[O-])O1	REAL300000462245	0	38	-2.0	-112.67	345.07	5.71	-106.96
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000462246	0	44	-2.0	-107.82	384.68	7.42	-100.40
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C1CC1	REAL300000462247	0	44	-2.0	-97.99	373.38	6.85	-91.14
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C1CC1	REAL300000462248	0	44	-2.0	-110.25	373.51	6.84	-103.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(CC(C)C)N=C1	REAL300000462249	0	48	-2.0	-116.86	408.26	7.20	-109.66
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C1CC1	REAL300000462250	0	48	-2.0	-97.24	404.83	8.14	-89.10
CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000462251	0	47	-2.0	-111.61	396.15	7.92	-103.69
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C1CC1	REAL300000462252	0	44	-2.0	-107.13	385.93	7.41	-99.72
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000462253	0	44	-2.0	-106.56	385.38	7.23	-99.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)=C1C	REAL300000462254	0	50	-2.0	-115.03	406.59	8.18	-106.85
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C1CC1	REAL300000462255	0	44	-2.0	-108.86	378.34	6.90	-101.96
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C1CC1	REAL300000462256	0	50	-2.0	-96.68	416.98	8.43	-88.25
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C1CC1	REAL300000462257	0	41	-2.0	-105.36	366.59	5.88	-99.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(CC(C)C)N=C1	REAL300000462258	0	47	-2.0	-112.66	388.29	7.63	-105.03
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C1CC1	REAL300000462259	0	48	-2.0	-95.88	410.41	7.65	-88.23
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000462260	0	45	-2.0	-109.16	379.51	6.20	-102.96
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(CC(C)C)N=C1	REAL300000462261	0	48	-2.0	-112.93	397.07	5.67	-107.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)=C1	REAL300000462262	0	44	-2.0	-100.73	388.43	7.05	-93.68
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000462263	0	50	-2.0	-113.62	411.56	8.72	-104.90
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C1CC1	REAL300000462264	0	41	-2.0	-106.43	364.52	5.88	-100.55
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000462265	0	48	-2.0	-116.75	400.16	6.92	-109.83
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(CC(C)C)N=C1	REAL300000462266	0	50	-2.0	-108.19	404.81	9.09	-99.10
CC1=C(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000462267	0	44	-2.0	-104.75	376.53	6.00	-98.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)=C1	REAL300000462268	0	48	-2.0	-110.55	402.36	5.94	-104.61
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(CC(C)C)N=C1	REAL300000462269	0	47	-2.0	-103.22	394.09	7.67	-95.55
CC1=C(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000462270	0	44	-2.0	-109.03	389.02	7.26	-101.77
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C1CC1	REAL300000462271	0	44	-2.0	-95.41	385.91	7.41	-88.00
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C1CC1	REAL300000462272	0	44	-2.0	-97.56	377.40	6.88	-90.68
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C1CC1	REAL300000462273	0	41	-2.0	-99.82	365.76	5.97	-93.85
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C1CC1	REAL300000462274	0	44	-2.0	-101.64	379.27	6.90	-94.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)=C1F	REAL300000462275	0	47	-2.0	-110.39	405.08	8.07	-102.32
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C1CC1	REAL300000462276	0	44	-2.0	-97.47	378.32	6.91	-90.56
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C1CC1	REAL300000462277	0	44	-2.0	-95.30	392.64	7.79	-87.51
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000462278	0	44	-2.0	-99.47	390.96	7.49	-91.98
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C1CC1	REAL300000462279	0	45	-2.0	-112.00	382.58	4.55	-107.45
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C1CC1	REAL300000462280	0	47	-2.0	-102.06	395.58	7.63	-94.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)N(CC(C)C)N=C1	REAL300000462281	0	47	-2.0	-105.93	389.35	8.00	-97.93
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000462282	0	47	-2.0	-109.39	404.98	8.04	-101.35
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)N(CC(C)C)N=C1	REAL300000462283	0	47	-2.0	-98.34	388.89	7.63	-90.71
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000462284	0	50	-2.0	-113.97	406.33	7.92	-106.05
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C1CC1	REAL300000462285	0	44	-2.0	-100.14	391.06	7.50	-92.64
CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000462286	0	50	-2.0	-109.91	407.34	8.23	-101.68
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000462287	0	47	-2.0	-110.14	394.88	7.45	-102.69
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)=C1	REAL300000462288	0	47	-2.0	-113.91	398.39	7.54	-106.37
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000462289	0	50	-2.0	-112.73	407.19	8.03	-104.70
CCN1C=C(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000462290	0	48	-2.0	-110.39	400.89	7.07	-103.32
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000462291	0	47	-2.0	-97.91	396.14	7.93	-89.98
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(CC(C)C)N=C1	REAL300000462292	0	47	-2.0	-110.43	398.86	8.20	-102.23
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C1CC1	REAL300000462293	0	44	-2.0	-112.98	382.98	7.40	-105.58
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C3CC3)N(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000462294	0	47	-2.0	-102.20	401.30	7.97	-94.23
CC(C)CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C1CC1	REAL300000462295	0	43	-2.0	-108.25	375.54	5.49	-102.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)N(CC(C)C)N=C1	REAL300000462296	0	48	-2.0	-101.99	408.32	7.19	-94.80
CC(C)CN1N=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C1CC1	REAL300000462297	0	41	-2.0	-98.94	373.54	5.83	-93.11
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CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1C1=NC=CO1	REAL300000462300	1	37	-2.0	-95.98	335.88	4.29	-91.69
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1C1=NC=CO1	REAL300000462301	1	37	-2.0	-108.21	335.90	4.28	-103.93
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1C	REAL300000462302	0	41	-2.0	-113.75	364.03	4.08	-109.67
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=CC=C1C1=NC=CO1	REAL300000462303	1	41	-2.0	-95.48	367.34	5.58	-89.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)C=C1C(=O)[O-]	REAL300000462304	1	40	-2.0	-109.33	351.93	4.82	-104.51
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CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CC=C1C1=NC=CO1	REAL300000462306	1	37	-2.0	-104.06	348.40	4.67	-99.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)=C1C	REAL300000462307	1	43	-2.0	-111.00	368.99	5.61	-105.39
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CC=C1C1=NC=CO1	REAL300000462308	0	37	-2.0	-105.44	341.37	4.35	-101.09
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=CC=C1C1=NC=CO1	REAL300000462309	1	43	-2.0	-94.76	379.46	5.86	-88.90
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC=C1C1=NC=CO1	REAL300000462310	0	34	-2.0	-102.67	329.07	3.29	-99.38
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1C	REAL300000462311	1	40	-2.0	-109.24	351.35	5.06	-104.18
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC=C1C1=NC=CO1	REAL300000462313	0	38	-2.0	-106.67	342.53	3.64	-103.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)=C1	REAL300000462315	0	37	-2.0	-98.73	345.02	3.97	-94.76
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1C1=NC=CO1	REAL300000462317	0	34	-2.0	-104.02	327.54	3.31	-100.71
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1C	REAL300000462319	1	43	-2.0	-107.43	364.86	5.95	-101.48
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=CC=C1C1=NC=CO1	REAL300000462320	1	44	-2.0	-113.22	380.15	6.18	-107.04
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)C=C(C(=O)[O-])O1	REAL300000462321	0	37	-2.0	-102.29	338.89	3.43	-98.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)=C1	REAL300000462322	0	41	-2.0	-109.07	364.88	3.37	-105.70
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C(C2=NC=CO2)=CC=C1	REAL300000462323	1	40	-2.0	-99.78	356.59	5.10	-94.68
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)C=C(C(=O)[O-])S1	REAL300000462324	1	37	-2.0	-105.54	345.60	4.17	-101.37
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=CC=C1C1=NC=CO1	REAL300000462325	0	37	-2.0	-93.49	348.94	4.84	-88.65
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC=C1C1=NC=CO1	REAL300000462326	1	37	-2.0	-95.47	340.41	4.32	-91.15
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC=C1C1=NC=CO1	REAL300000462327	0	34	-2.0	-97.52	328.17	3.41	-94.11
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC=C1C1=NC=CO1	REAL300000462328	1	37	-2.0	-99.16	342.30	4.35	-94.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)=C1F	REAL300000462329	0	40	-2.0	-106.87	361.63	4.98	-101.89
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC=C1C1=NC=CO1	REAL300000462330	0	37	-2.0	-95.27	341.35	4.35	-90.92
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CC=C1C1=NC=CO1	REAL300000462331	1	37	-2.0	-93.48	348.38	4.68	-88.80
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=CC=C1C1=NC=CO1	REAL300000462332	1	37	-2.0	-97.48	346.70	4.37	-93.11
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CC=C1C1=NC=CO1	REAL300000462333	0	38	-2.0	-108.10	345.60	1.98	-106.12
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC=C1C1=NC=CO1	REAL300000462333	1	38	-2.0	-107.26	339.47	2.86	-104.40
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CC=C1C1=NC=CO1	REAL300000462334	1	40	-2.0	-100.02	358.06	5.06	-94.96
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=CC=C1C1=NC=CO1	REAL300000462335	1	40	-2.0	-104.44	345.73	4.93	-99.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)=CC(C(=O)[O-])=C1F	REAL300000462336	1	40	-2.0	-107.11	360.72	4.93	-102.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)=CC(C(=O)[O-])=C1C	REAL300000462338	1	43	-2.0	-111.31	369.36	5.35	-105.96
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CC=C1C1=NC=CO1	REAL300000462339	0	37	-2.0	-97.12	347.64	4.41	-92.71
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)C=C1C(=O)[O-]	REAL300000462341	0	40	-2.0	-106.57	357.41	4.89	-101.68
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)=C1	REAL300000462342	0	40	-2.0	-112.94	360.92	4.97	-107.97
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)C=C1C(=O)[O-]	REAL300000462343	1	43	-2.0	-110.01	369.93	5.47	-104.54
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)C=C1C(=O)[O-]	REAL300000462344	0	41	-2.0	-107.94	363.83	4.49	-103.45
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)=CC=C1C(=O)[O-]	REAL300000462345	1	40	-2.0	-96.01	351.94	4.83	-91.18
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CC=C1C1=NC=CO1	REAL300000462347	0	37	-2.0	-112.19	339.52	4.31	-107.88
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)C=C1C(=O)[O-]	REAL300000462348	1	40	-2.0	-99.98	357.09	4.86	-95.12
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1C1=NC=CO1	REAL300000462349	0	36	-2.0	-105.48	332.89	2.34	-103.14
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NC=CO2)=C1C	REAL300000462350	0	41	-2.0	-100.08	364.09	4.08	-96.00
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC=C1C1=NC=CO1	REAL300000462351	0	34	-2.0	-96.16	336.00	3.26	-92.90
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=CC=C1C1=NC=CO1	REAL300000462352	1	44	-2.0	-102.39	382.00	6.17	-96.22
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=CC=C1C1=NC=CO1	REAL300000462353	1	44	-2.0	-104.99	379.98	6.14	-98.85
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC=CO3)=C2C)C=C(C(=O)[O-])O1	REAL300000462354	0	40	-2.0	-102.05	358.02	4.27	-97.78
CC1(C)CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000462379	0	44	-2.0	-112.94	364.01	8.86	-104.08
CC1(C)CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000462399	0	42	-2.0	-112.63	346.00	7.09	-105.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OCC(F)F)C=C1	REAL300000462430	0	35	-2.0	-95.52	349.73	6.29	-89.23
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OCC(F)F)=C1	REAL300000462431	0	35	-2.0	-105.57	349.75	6.28	-99.29
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OCC(F)F)=C1	REAL300000462432	0	32	-2.0	-103.29	342.92	5.30	-97.99
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OCC(F)F)C=C1C(=O)[O-]	REAL300000462433	0	36	-2.0	-107.40	356.39	5.63	-101.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OCC(F)F)=CS1	REAL300000462434	0	32	-2.0	-104.79	341.40	5.31	-99.48
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OCC(F)F)C=C(C(=O)[O-])O1	REAL300000462435	0	35	-2.0	-100.03	352.75	5.42	-94.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OCC(F)F)S1	REAL300000462436	0	32	-2.0	-96.58	342.00	5.41	-91.17
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OCC(F)F)=C1	REAL300000462437	0	34	-2.0	-104.14	346.72	4.34	-99.80
COC1=CC=CC=C1N(CCO)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000462461	0	42	-2.0	-114.95	367.80	4.56	-110.39
COC1=CC=CC=C1N(CCO)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000462480	0	40	-2.0	-111.72	346.72	2.35	-109.37
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)N=CS1	REAL300000462509	0	40	-2.0	-92.23	373.47	3.87	-88.36
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)N=CS1	REAL300000462510	0	33	-2.0	-109.10	321.54	5.31	-103.79
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)SC=N1	REAL300000462511	0	41	-2.0	-110.19	376.61	6.41	-103.78
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)N=CS1	REAL300000462512	0	33	-2.0	-98.90	316.98	5.29	-93.61
CC(C)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)N=CS1	REAL300000462513	0	33	-2.0	-111.84	317.00	5.28	-106.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)SC=N1	REAL300000462514	0	37	-2.0	-117.54	345.13	5.10	-112.44
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)N=CS1	REAL300000462515	0	37	-2.0	-98.39	348.46	6.58	-91.81
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C=C1C(=O)[O-]	REAL300000462516	0	36	-2.0	-113.19	333.02	5.81	-107.38
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)N=CS1	REAL300000462517	0	33	-2.0	-107.34	330.07	5.85	-101.49
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)N=CS1	REAL300000462518	0	33	-2.0	-107.63	329.51	5.67	-101.96
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)N=CS1	REAL300000462519	0	33	-2.0	-102.91	342.56	6.24	-96.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)=C1C	REAL300000462520	0	39	-2.0	-115.00	349.66	6.65	-108.35
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)N=CS1	REAL300000462521	0	33	-2.0	-109.34	322.46	5.34	-104.00
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)N=CS1	REAL300000462522	0	39	-2.0	-97.86	360.57	6.87	-90.99
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)N=CS1	REAL300000462523	0	30	-2.0	-105.96	310.19	4.31	-101.65
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)SC=N1	REAL300000462524	0	36	-2.0	-112.74	332.43	6.06	-106.68
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)N=CS1	REAL300000462525	0	37	-2.0	-97.08	348.07	5.57	-91.51
CC(C)C1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)N=CS1	REAL300000462526	0	34	-2.0	-110.11	323.65	4.64	-105.47
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)SC=N1	REAL300000462527	0	37	-2.0	-113.13	341.20	4.10	-109.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)=C1	REAL300000462528	0	33	-2.0	-102.07	326.11	4.98	-97.09
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C=C1C(=O)[O-]	REAL300000462529	0	39	-2.0	-114.15	348.45	6.60	-107.55
CC(C)C1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)N=CS1	REAL300000462530	0	30	-2.0	-107.36	308.66	4.31	-103.05
COC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)=CC(C(=O)[O-])=C1OC	REAL300000462531	0	41	-2.0	-112.27	375.32	5.09	-107.18
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C=C1C(=O)[O-]	REAL300000462532	0	37	-2.0	-117.81	344.29	5.35	-112.46
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)N=CS1	REAL300000462533	0	43	-2.0	-116.93	372.24	7.92	-109.01
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)N=CS1	REAL300000462534	0	42	-2.0	-114.92	370.89	7.30	-107.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)SC=N1	REAL300000462535	0	39	-2.0	-110.80	345.78	6.97	-103.83
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)SC=N1	REAL300000462536	0	40	-2.0	-117.35	367.41	5.87	-111.48
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)N=CS1	REAL300000462537	0	35	-3.0	-187.81	345.40	5.84	-181.97
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)N=CS1	REAL300000462538	0	40	-2.0	-117.23	361.25	7.18	-110.05
CC1=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C=C(C(=O)[O-])O1	REAL300000462539	0	33	-2.0	-105.57	320.00	4.44	-101.13
CC(C)C1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)N=CS1	REAL300000462540	0	39	-2.0	-116.91	359.17	5.05	-111.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)=C1	REAL300000462541	0	37	-2.0	-112.38	345.98	4.39	-107.99
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)N=CS1	REAL300000462542	0	41	-2.0	-98.60	370.64	5.90	-92.70
CC(C)C1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)N=CS1	REAL300000462543	0	33	-2.0	-101.30	344.67	6.13	-95.17
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)N=CS1	REAL300000462544	0	33	-2.0	-103.86	334.59	5.87	-97.99
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)N=CS1	REAL300000462545	0	37	-2.0	-95.51	364.11	6.11	-89.40
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)=CC=C1OCC(=O)[O-]	REAL300000462546	0	40	-2.0	-97.62	368.15	6.27	-91.35
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)SC=N1	REAL300000462547	0	36	-2.0	-103.13	337.70	6.10	-97.03
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)=CC=C1OCCCC(=O)[O-]	REAL300000462548	0	46	-2.0	-97.56	410.61	7.20	-90.36
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)N=CS1	REAL300000462549	0	37	-2.0	-96.40	354.31	5.63	-90.77
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C=C1C(=O)[O-]	REAL300000462550	0	40	-2.0	-118.55	366.15	6.26	-112.29
CC1=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C=C(C(=O)[O-])S1	REAL300000462551	0	33	-2.0	-108.89	326.69	5.17	-103.72
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)N=CS1	REAL300000462552	0	33	-2.0	-101.04	345.23	6.30	-94.74
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)N=CS1	REAL300000462553	0	33	-2.0	-96.26	330.05	5.84	-90.42
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)N=CS1	REAL300000462554	0	33	-2.0	-98.33	321.53	5.32	-93.01
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)N=CS1	REAL300000462555	0	30	-2.0	-100.78	309.25	4.42	-96.36
CC(C)C1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)N=CS1	REAL300000462556	0	33	-2.0	-102.53	323.40	5.35	-97.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)=C1F	REAL300000462557	0	36	-2.0	-110.84	342.75	5.98	-104.86
COC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)=C(Cl)C=C1C(=O)[O-]	REAL300000462558	0	37	-2.0	-100.89	357.31	5.91	-94.98
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)N=CS1	REAL300000462559	0	33	-2.0	-98.41	322.46	5.35	-93.06
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)N=CS1	REAL300000462560	0	33	-2.0	-96.45	329.50	5.68	-90.77
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)SC=N1	REAL300000462561	0	36	-2.0	-104.88	346.44	6.48	-98.40
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)N=CS1	REAL300000462562	0	41	-2.0	-94.96	380.74	6.69	-88.27
CC(C)C1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)N=CS1	REAL300000462563	0	33	-2.0	-100.51	327.81	5.37	-95.14
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)N=CS1	REAL300000462564	0	35	-2.0	-96.64	345.19	5.95	-90.69
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)N=CS1	REAL300000462565	0	34	-2.0	-111.55	326.71	3.02	-108.53
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)N=CS1	REAL300000462566	0	36	-2.0	-103.34	339.18	6.07	-97.27
CC(C)C1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)N=CS1	REAL300000462567	0	33	-2.0	-102.01	337.70	5.81	-96.20
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)SC=N1	REAL300000462568	0	36	-2.0	-107.53	327.06	5.93	-101.60
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)=CC(C(=O)[O-])=C1F	REAL300000462569	0	36	-2.0	-110.58	341.83	5.93	-104.65
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)SC=N1	REAL300000462570	0	36	-2.0	-98.99	332.41	6.06	-92.93
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)=CC(C(=O)[O-])=C1C	REAL300000462571	0	39	-2.0	-116.56	353.82	6.45	-110.11
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)N=CS1	REAL300000462572	0	35	-2.0	-109.58	343.57	6.38	-103.20
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)N=CS1	REAL300000462573	0	33	-2.0	-100.79	328.73	5.41	-95.38
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C(C)=C1C(=O)[O-]	REAL300000462574	0	39	-2.0	-111.68	351.48	6.68	-105.00
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C=C1C(=O)[O-]	REAL300000462575	0	36	-2.0	-111.71	342.31	5.98	-105.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)=C1Cl	REAL300000462576	0	36	-2.0	-109.17	348.76	6.42	-102.75
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)=C1	REAL300000462577	0	36	-2.0	-116.58	342.01	5.97	-110.61
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C=C1C(=O)[O-]	REAL300000462578	0	39	-2.0	-113.88	351.32	6.47	-107.41
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C=C1CC(=O)[O-]	REAL300000462579	0	40	-2.0	-113.50	367.47	5.41	-108.09
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(C)C)SC=N1	REAL300000462580	0	36	-2.0	-100.81	343.26	6.47	-94.34
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)N=CS1	REAL300000462581	0	36	-2.0	-95.35	347.12	6.09	-89.26
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)=CC(C(=O)[O-])=C1Cl	REAL300000462582	0	36	-2.0	-109.52	348.22	6.24	-103.28
CCN1C=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C=C1C(=O)[O-]	REAL300000462583	0	37	-2.0	-111.41	345.02	5.51	-105.90
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)N=CS1	REAL300000462584	0	33	-2.0	-99.39	342.60	5.84	-93.55
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C=C1C(=O)[O-]	REAL300000462585	0	36	-2.0	-105.20	346.86	6.25	-98.95
CC(C)C1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)N=CS1	REAL300000462586	0	42	-2.0	-108.30	366.44	7.38	-100.92
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C=C1C(=O)[O-]	REAL300000462587	0	37	-2.0	-113.02	357.32	5.91	-107.11
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)=CC=C1C(=O)[O-]	REAL300000462588	0	36	-2.0	-99.16	333.01	5.82	-93.34
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])N=CS1	REAL300000462589	0	38	-2.0	-103.69	360.26	7.49	-96.20
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)SC=N1	REAL300000462590	0	36	-2.0	-109.88	336.95	6.10	-103.78
CC(C)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])N=CS1	REAL300000462591	0	35	-2.0	-118.34	340.75	7.15	-111.19
CC(C)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)N=CS1	REAL300000462592	0	33	-2.0	-115.70	320.64	5.31	-110.39
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C=C1C(=O)[O-]	REAL300000462593	0	36	-2.0	-103.45	338.16	5.85	-97.60
CC(C)C1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)N=CS1	REAL300000462594	0	39	-2.0	-120.40	358.04	7.41	-112.99
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)N=CS1	REAL300000462595	0	32	-2.0	-109.20	313.98	3.34	-105.86
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)SC=N1	REAL300000462596	0	37	-2.0	-103.29	345.20	5.10	-98.19
CC(C)C1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)N=CS1	REAL300000462597	0	30	-2.0	-99.30	317.10	4.25	-95.05
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)N=CS1	REAL300000462598	0	40	-2.0	-105.67	363.12	7.17	-98.50
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)N=CS1	REAL300000462599	0	40	-2.0	-109.19	362.43	7.17	-102.02
CCC1=C(S(=O)(=O)[N-]C2=C(C(C)C)SC=N2)C=C(C(=O)[O-])O1	REAL300000462600	0	36	-2.0	-105.25	339.13	5.29	-99.96
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=C(Cl)C=C1	REAL300000462601	0	38	-2.0	-94.81	364.66	7.11	-87.70
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=C(Cl)C=C1	REAL300000462602	0	38	-2.0	-106.73	363.31	7.07	-99.66
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C1=CC=C(Cl)C=C1	REAL300000462603	0	35	-2.0	-101.20	356.49	6.10	-95.10
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1C1=CC=C(Cl)C=C1	REAL300000462604	0	39	-2.0	-105.64	371.32	6.46	-99.18
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C1=CC=C(Cl)C=C1	REAL300000462605	0	35	-2.0	-102.95	354.96	6.11	-96.84
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=C(Cl)C=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000462606	0	38	-2.0	-101.23	366.32	6.22	-95.01
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1=CC=C(Cl)C=C1	REAL300000462607	0	35	-2.0	-96.35	356.94	6.23	-90.12
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1C1=CC=C(Cl)C=C1	REAL300000462608	0	37	-2.0	-104.50	359.48	5.20	-99.30
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1	REAL300000462609	0	39	-2.0	-86.79	358.00	0.42	-86.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CC=C1F	REAL300000462610	0	32	-2.0	-102.70	306.09	1.85	-100.85
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)N2	REAL300000462611	0	40	-2.0	-102.67	361.17	2.92	-99.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1	REAL300000462612	0	32	-2.0	-93.27	301.52	1.84	-91.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1	REAL300000462613	0	32	-2.0	-104.81	301.55	1.82	-102.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)N2	REAL300000462614	0	36	-2.0	-109.17	329.69	1.63	-107.54
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1	REAL300000462615	0	36	-2.0	-92.73	333.00	3.13	-89.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1C(=O)[O-]	REAL300000462616	0	35	-2.0	-105.88	317.56	2.35	-103.53
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1	REAL300000462617	0	32	-2.0	-100.00	314.62	2.40	-97.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CC=C1Cl	REAL300000462618	0	32	-2.0	-100.88	314.07	2.21	-98.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1C	REAL300000462619	0	38	-2.0	-106.88	334.65	3.16	-103.72
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1	REAL300000462620	0	32	-2.0	-101.55	307.02	1.89	-99.66
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1	REAL300000462621	0	38	-2.0	-91.60	345.11	3.42	-88.18
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1	REAL300000462622	0	29	-2.0	-99.75	294.73	0.85	-98.90
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)N2	REAL300000462623	0	35	-2.0	-105.12	316.98	2.61	-102.51
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1	REAL300000462624	1	36	-2.0	-91.38	332.61	2.12	-89.26
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1C(=O)[O-]	REAL300000462625	0	33	-2.0	-103.39	308.20	1.18	-102.21
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)N2	REAL300000462626	1	36	-2.0	-105.50	325.75	0.64	-104.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1	REAL300000462627	0	32	-2.0	-96.02	310.68	1.52	-94.50
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1C(=O)[O-]	REAL300000462628	1	38	-2.0	-106.19	332.99	3.15	-103.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CS1	REAL300000462629	0	29	-2.0	-100.93	293.20	0.86	-100.07
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CC(C(=O)[O-])=C1OC	REAL300000462630	0	40	-2.0	-105.37	359.88	1.64	-103.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1C(=O)[O-]	REAL300000462631	1	36	-2.0	-110.70	328.84	1.90	-108.80
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1	REAL300000462632	0	42	-2.0	-108.56	356.79	4.46	-104.10
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)N2	REAL300000462633	0	41	-2.0	-106.80	355.45	3.84	-102.96
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)N2	REAL300000462634	0	38	-2.0	-103.35	331.67	3.56	-99.79
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)N2	REAL300000462635	0	39	-2.0	-109.94	351.98	2.40	-107.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CC(C(=O)[O-])=C1	REAL300000462636	0	34	-3.0	-180.33	329.95	2.40	-177.93
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2NC(=O)N3)=CC(C(=O)[O-])=C1	REAL300000462636	1	35	-2.0	-110.08	330.31	2.31	-107.77
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1	REAL300000462637	0	39	-2.0	-108.91	345.79	3.73	-105.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C(C(=O)[O-])O1	REAL300000462638	0	32	-2.0	-99.23	304.55	0.97	-98.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CC2=C1OCCO2	REAL300000462639	0	38	-2.0	-109.69	343.72	1.60	-108.09
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1	REAL300000462640	0	36	-2.0	-106.24	330.47	0.92	-105.32
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3NC(=O)N4)C=C2C1	REAL300000462641	0	40	-2.0	-92.35	355.18	2.43	-89.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C(Cl)C=C1F	REAL300000462642	0	32	-2.0	-97.16	319.14	2.42	-94.74
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1Cl	REAL300000462643	0	36	-2.0	-90.14	348.64	2.66	-87.48
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CC=C1OCC(=O)[O-]	REAL300000462644	1	39	-2.0	-91.80	352.70	2.81	-88.99
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)N2	REAL300000462645	0	35	-2.0	-96.38	322.25	2.65	-93.73
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1F	REAL300000462646	0	36	-2.0	-91.20	338.84	2.18	-89.02
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1C(=O)[O-]	REAL300000462647	1	39	-2.0	-111.40	350.68	2.81	-108.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C(C(=O)[O-])S1	REAL300000462648	0	32	-2.0	-102.04	310.17	1.72	-100.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C(Cl)=C1	REAL300000462649	0	32	-2.0	-90.85	314.60	2.39	-88.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1F	REAL300000462650	0	32	-2.0	-93.08	306.08	1.87	-91.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)S1	REAL300000462651	0	29	-2.0	-94.92	293.81	0.96	-93.96
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1	REAL300000462652	0	32	-2.0	-96.13	307.96	1.89	-94.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1F	REAL300000462653	0	35	-2.0	-102.90	327.29	2.53	-100.37
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C(Cl)C=C1C(=O)[O-]	REAL300000462654	0	36	-2.0	-95.61	341.86	2.45	-93.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C(F)=C1	REAL300000462655	0	32	-2.0	-92.61	307.01	1.90	-90.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1Cl	REAL300000462656	0	32	-2.0	-90.92	314.05	2.22	-88.70
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)N2	REAL300000462657	0	35	-2.0	-97.84	330.99	3.03	-94.81
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1	REAL300000462658	0	40	-2.0	-89.50	365.28	3.24	-86.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CC(F)=C1F	REAL300000462659	0	32	-2.0	-94.73	312.37	1.92	-92.81
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1	REAL300000462660	0	34	-2.0	-90.66	329.74	2.50	-88.16
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1	REAL300000462661	0	33	-2.0	-103.97	311.26	-0.46	-104.43
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1	REAL300000462662	0	35	-2.0	-95.92	323.71	2.62	-93.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CC(Cl)=C1F	REAL300000462663	0	32	-2.0	-96.02	322.26	2.36	-93.66
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)N2	REAL300000462664	0	35	-2.0	-101.54	311.59	2.46	-99.08
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CC(C(=O)[O-])=C1F	REAL300000462665	0	35	-2.0	-104.00	326.39	2.48	-101.52
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)N2	REAL300000462666	1	35	-2.0	-93.40	316.96	2.60	-90.80
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CC(C(=O)[O-])=C1C	REAL300000462667	0	38	-2.0	-107.63	334.42	2.89	-104.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CC=C1[N+](=O)[O-]	REAL300000462668	0	34	-2.0	-104.13	328.10	2.92	-101.21
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1	REAL300000462669	0	32	-2.0	-93.78	313.28	1.96	-91.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C(C)=C1C(=O)[O-]	REAL300000462670	1	38	-2.0	-105.73	336.02	3.22	-102.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1C(=O)[O-]	REAL300000462671	0	35	-2.0	-103.80	326.86	2.53	-101.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1Cl	REAL300000462672	0	35	-2.0	-101.65	333.33	2.97	-98.68
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1	REAL300000462673	0	35	-2.0	-109.94	326.58	2.52	-107.42
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1C(=O)[O-]	REAL300000462674	0	38	-2.0	-106.45	335.87	3.01	-103.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1CC(=O)[O-]	REAL300000462675	0	39	-2.0	-107.62	352.02	1.95	-105.67
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)N2	REAL300000462676	0	35	-2.0	-95.08	327.81	3.02	-92.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CC(C(=O)[O-])=C1Cl	REAL300000462677	0	35	-2.0	-102.56	332.78	2.78	-99.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1C(=O)[O-]	REAL300000462678	0	36	-2.0	-104.68	329.57	2.04	-102.64
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C(C)=C1CC(=O)[O-]	REAL300000462679	1	44	-2.0	-105.30	366.69	4.70	-100.60
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1C(=O)[O-]	REAL300000462680	0	35	-2.0	-98.34	331.41	2.80	-95.54
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C(C(=O)[O-])S1	REAL300000462681	0	41	-2.0	-101.44	350.98	3.97	-97.47
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1C(=O)[O-]	REAL300000462682	0	36	-2.0	-105.55	341.87	2.46	-103.09
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CC=C1C(=O)[O-]	REAL300000462683	0	35	-2.0	-93.35	317.55	2.36	-90.99
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C([N+](=O)[O-])=C1	REAL300000462684	0	37	-2.0	-96.56	344.80	4.02	-92.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)N2	REAL300000462685	0	35	-2.0	-102.86	321.50	2.65	-100.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1[N+](=O)[O-]	REAL300000462686	0	34	-2.0	-112.20	325.27	3.68	-108.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1F	REAL300000462687	0	32	-2.0	-109.19	305.21	1.86	-107.33
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C1C(=O)[O-]	REAL300000462688	0	35	-2.0	-96.79	322.71	2.40	-94.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=CC2=CC=CC=C21	REAL300000462689	0	38	-2.0	-112.69	342.59	3.95	-108.74
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C1	REAL300000462690	0	31	-2.0	-102.52	297.76	-0.06	-102.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)N2	REAL300000462691	0	36	-2.0	-96.91	329.75	1.63	-95.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)=C(Cl)O1	REAL300000462692	0	29	-2.0	-93.44	301.65	0.80	-92.64
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3NC(=O)N4)C=C2)CC1	REAL300000462693	0	39	-2.0	-99.06	347.67	3.71	-95.35
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3NC(=O)N4)C=C2C1	REAL300000462694	0	39	-2.0	-102.46	345.63	3.69	-98.77
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)N3)C=C(C(=O)[O-])O1	REAL300000462695	0	35	-2.0	-98.82	323.68	1.82	-97.00
CS(C)(=O)=NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000462696	1	40	-2.0	-113.46	373.26	3.34	-110.12
CS(C)(=O)=NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000462697	1	40	-2.0	-126.41	373.30	3.33	-123.08
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N=S(C)(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000462698	0	41	-2.0	-124.59	379.93	2.67	-121.92
CS(C)(=O)=NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000462699	0	39	-2.0	-126.75	369.50	1.47	-125.28
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1	REAL300000462700	1	39	-2.0	-88.76	360.53	3.96	-84.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC=C1F	REAL300000462701	1	32	-2.0	-104.80	308.60	5.40	-99.40
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COC(=O)C2=C1	REAL300000462702	0	40	-2.0	-104.75	363.68	6.46	-98.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1	REAL300000462703	1	32	-2.0	-95.27	304.04	5.38	-89.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1	REAL300000462704	1	32	-2.0	-106.95	304.06	5.37	-101.58
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COC(=O)C2=C1	REAL300000462705	0	36	-2.0	-111.15	332.20	5.17	-105.98
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1	REAL300000462706	1	36	-2.0	-94.71	335.51	6.67	-88.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000462707	1	35	-2.0	-108.05	320.07	5.91	-102.14
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1	REAL300000462708	0	32	-2.0	-101.75	317.13	5.95	-95.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC=C1Cl	REAL300000462709	1	32	-2.0	-103.02	316.57	5.77	-97.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1C	REAL300000462710	1	38	-2.0	-108.89	336.73	6.73	-102.16
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1	REAL300000462711	0	32	-2.0	-103.40	309.53	5.44	-97.96
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1	REAL300000462712	1	38	-2.0	-94.18	347.63	6.97	-87.21
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1	REAL300000462713	0	29	-2.0	-101.60	297.24	4.40	-97.20
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COC(=O)C2=C1	REAL300000462714	1	35	-2.0	-106.73	319.49	6.17	-100.56
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1	REAL300000462715	1	36	-2.0	-93.37	335.12	5.66	-87.71
CN1C=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000462716	0	33	-2.0	-105.61	310.70	4.73	-100.88
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1	REAL300000462718	0	32	-2.0	-97.96	313.16	5.06	-92.90
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000462719	1	38	-2.0	-108.19	335.12	6.71	-101.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CS1	REAL300000462720	0	29	-2.0	-103.03	295.71	4.41	-98.62
COC1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC(C(=O)[O-])=C1OC	REAL300000462721	1	40	-2.0	-107.40	362.39	5.19	-102.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000462722	1	36	-2.0	-112.90	331.35	5.44	-107.46
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1	REAL300000462723	1	42	-2.0	-110.39	359.29	8.00	-102.39
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COC(=O)C2=C1	REAL300000462724	1	41	-2.0	-108.70	357.95	7.38	-101.32
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COC(=O)C2=C1	REAL300000462725	1	38	-2.0	-104.89	334.19	7.10	-97.79
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COC(=O)C2=C1	REAL300000462726	0	39	-2.0	-110.23	354.48	5.94	-104.29
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3COC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000462727	0	35	-2.0	-112.56	335.09	5.92	-106.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000462727	1	34	-3.0	-182.48	332.46	5.94	-176.54
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1	REAL300000462728	1	39	-2.0	-110.77	348.30	7.27	-103.50
CC1=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000462729	0	32	-2.0	-100.73	307.06	4.51	-96.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC2=C1OCCO2	REAL300000462730	1	38	-2.0	-111.85	346.23	5.15	-106.70
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1	REAL300000462731	0	36	-2.0	-108.54	333.04	4.47	-104.07
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C4COC(=O)C4=C3)C=C2C1	REAL300000462732	1	40	-2.0	-94.55	357.68	6.00	-88.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C(Cl)C=C1F	REAL300000462733	0	32	-2.0	-98.78	321.65	5.97	-92.81
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1Cl	REAL300000462734	1	36	-2.0	-92.03	351.16	6.20	-85.83
CC1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC=C1OCC(=O)[O-]	REAL300000462735	1	39	-2.0	-93.88	355.21	6.36	-87.52
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COC(=O)C2=C1	REAL300000462736	1	35	-2.0	-97.96	324.76	6.20	-91.76
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1F	REAL300000462737	1	36	-2.0	-93.14	341.36	5.72	-87.42
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000462738	1	39	-2.0	-113.54	353.20	6.35	-107.19
CC1=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000462739	0	32	-2.0	-103.54	313.75	5.27	-98.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C(Cl)=C1	REAL300000462740	0	32	-2.0	-92.89	317.10	5.94	-86.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1F	REAL300000462741	1	32	-2.0	-94.96	308.59	5.41	-89.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)S1	REAL300000462742	0	29	-2.0	-96.78	296.33	4.50	-92.28
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1	REAL300000462743	1	32	-2.0	-98.16	310.48	5.44	-92.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1F	REAL300000462744	0	35	-2.0	-104.80	329.83	6.08	-98.72
COC1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000462745	0	36	-2.0	-97.73	344.36	6.00	-91.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C(F)=C1	REAL300000462746	0	32	-2.0	-94.76	309.52	5.45	-89.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1Cl	REAL300000462747	1	32	-2.0	-92.88	316.56	5.78	-87.10
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COC(=O)C2=C1	REAL300000462748	1	35	-2.0	-99.43	333.50	6.59	-92.84
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1	REAL300000462749	1	40	-2.0	-91.50	367.80	6.79	-84.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC(F)=C1F	REAL300000462750	1	32	-2.0	-96.69	314.89	5.47	-91.22
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1	REAL300000462751	0	34	-2.0	-92.59	332.26	6.04	-86.55
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1	REAL300000462752	0	33	-2.0	-105.30	313.77	3.09	-102.21
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3COC(=O)C3=C2)=C1	REAL300000462752	1	33	-2.0	-107.38	312.90	3.95	-103.43
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1	REAL300000462753	1	35	-2.0	-100.13	326.23	6.16	-93.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC(Cl)=C1F	REAL300000462754	1	32	-2.0	-97.96	324.77	5.91	-92.05
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2COC(=O)C2=C1	REAL300000462755	1	35	-2.0	-104.18	314.12	6.01	-98.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000462756	1	35	-2.0	-106.15	328.90	6.03	-100.12
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2COC(=O)C2=C1	REAL300000462757	1	35	-2.0	-95.32	319.47	6.15	-89.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000462758	1	38	-2.0	-111.18	341.55	6.58	-104.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC=C1[N+](=O)[O-]	REAL300000462759	0	34	-2.0	-106.17	330.61	6.47	-99.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1	REAL300000462760	0	32	-2.0	-95.59	315.81	5.50	-90.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000462761	1	38	-2.0	-108.67	337.44	6.78	-101.89
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000462762	0	35	-2.0	-105.61	329.37	6.07	-99.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1Cl	REAL300000462763	0	35	-2.0	-103.45	335.80	6.51	-96.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1	REAL300000462764	0	35	-2.0	-112.90	329.09	6.07	-106.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000462765	1	38	-2.0	-108.77	338.02	6.56	-102.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1CC(=O)[O-]	REAL300000462766	1	39	-2.0	-110.63	354.53	5.51	-105.12
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2COC(=O)C2=C1	REAL300000462767	1	35	-2.0	-97.45	330.31	6.55	-90.90
CC1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000462768	1	35	-2.0	-104.77	335.29	6.33	-98.44
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000462769	0	36	-2.0	-106.81	332.08	5.60	-101.21
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000462771	1	35	-2.0	-100.42	333.93	6.34	-94.08
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000462772	0	41	-2.0	-103.33	353.50	7.51	-95.82
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000462773	0	36	-2.0	-107.34	344.38	6.00	-101.34
CC1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000462774	1	35	-2.0	-95.38	320.06	5.92	-89.46
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C([N+](=O)[O-])=C1	REAL300000462775	0	37	-2.0	-101.00	347.32	7.57	-93.43
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COC(=O)C2=C1	REAL300000462776	1	35	-2.0	-104.43	324.01	6.20	-98.23
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC=C1	REAL300000462777	0	34	-2.0	-115.41	327.79	7.22	-108.19
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC=C1	REAL300000462778	0	32	-2.0	-112.15	307.67	5.40	-106.75
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000462779	1	35	-2.0	-98.83	325.24	5.95	-92.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=CC2=CC=CC=C21	REAL300000462780	1	38	-2.0	-115.14	345.10	7.49	-107.65
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C1	REAL300000462781	0	31	-2.0	-102.91	301.04	3.43	-99.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2COC(=O)C2=C1	REAL300000462782	0	36	-2.0	-99.11	332.26	5.17	-93.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)=C(Cl)O1	REAL300000462783	0	29	-2.0	-95.01	304.20	4.35	-90.66
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4COC(=O)C4=C3)C=C2)CC1	REAL300000462784	1	39	-2.0	-101.03	350.18	7.26	-93.77
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4COC(=O)C4=C3)C=C2C1	REAL300000462785	1	39	-2.0	-106.12	349.50	7.26	-98.86
CCC1=C(S(=O)(=O)[N-]C2=CC=C3COC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000462786	0	35	-2.0	-100.38	326.18	5.37	-95.01
COC(=O)C1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1F	REAL300000462793	1	34	-2.0	-98.00	339.64	5.88	-92.12
COC(=O)C1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1F	REAL300000462795	0	31	-2.0	-96.65	327.35	4.83	-91.82
COC(=O)C1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1F	REAL300000462798	1	34	-2.0	-92.55	343.27	5.51	-87.04
COC(=O)C1=C(F)C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1F	REAL300000462802	1	34	-2.0	-95.90	337.17	4.95	-90.95
COC(=O)C1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1F	REAL300000462805	1	31	-2.0	-91.50	326.42	4.95	-86.55
COC(=O)C1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1F	REAL300000462807	1	34	-2.0	-89.58	339.63	5.89	-83.69
COC(=O)C1=C(F)C=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1F	REAL300000462808	0	35	-2.0	-107.38	338.30	4.38	-103.00
COC(=O)C1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000462817	1	34	-2.0	-106.14	337.79	5.84	-100.30
COC(=O)C1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1F	REAL300000462818	0	33	-2.0	-98.81	330.37	3.94	-94.87
COC(=O)C1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1F	REAL300000462819	1	31	-2.0	-90.19	334.26	4.80	-85.39
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)OC)=C2F)C=C(C(=O)[O-])O1	REAL300000462820	1	37	-2.0	-95.62	356.29	5.81	-89.81
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C(O)C=C21	REAL300000462821	0	39	-2.0	-102.74	354.16	5.32	-97.42
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C(O)C=C21	REAL300000462822	0	39	-2.0	-92.42	349.17	5.28	-87.14
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C(O)C=C21	REAL300000462823	0	39	-2.0	-104.66	349.18	5.29	-99.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2O)N(C)C(=O)N3C)C=C1C(=O)[O-]	REAL300000462824	0	42	-2.0	-105.00	369.71	5.93	-99.07
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C(O)C=C21	REAL300000462825	0	39	-2.0	-101.20	355.10	5.34	-95.86
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C(O)C=C21	REAL300000462826	0	36	-2.0	-99.32	342.81	4.34	-94.98
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1O)N(C)C(=O)N2C	REAL300000462827	0	42	-2.0	-105.62	365.06	6.02	-99.60
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2O)N(C)C(=O)N3C)C=C1C(=O)[O-]	REAL300000462828	0	40	-2.0	-101.59	356.28	4.67	-96.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2O)N(C)C(=O)N3C)=C1	REAL300000462829	0	39	-2.0	-95.35	358.30	4.99	-90.36
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C(O)C=C21	REAL300000462830	0	36	-2.0	-98.89	340.83	4.35	-94.54
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2O)N(C)C(=O)N3C)C=C(C(=O)[O-])O1	REAL300000462831	0	39	-2.0	-97.90	352.19	4.44	-93.46
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2O)N(C)C(=O)N3C)C=C(C(=O)[O-])S1	REAL300000462832	0	39	-2.0	-102.40	358.25	5.17	-97.23
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C(O)C=C21	REAL300000462833	0	39	-2.0	-92.02	353.70	5.34	-86.68
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C(O)C=C21	REAL300000462834	0	36	-2.0	-93.67	341.88	4.44	-89.23
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C(O)C=C21	REAL300000462835	0	39	-2.0	-95.89	355.60	5.35	-90.54
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C(O)C=C21	REAL300000462836	0	39	-2.0	-91.23	355.09	5.35	-85.88
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C(O)C=C21	REAL300000462837	0	40	-2.0	-104.22	359.34	2.88	-101.34
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C(O)C=C21	REAL300000462838	0	42	-2.0	-95.07	371.36	6.07	-89.00
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1O)N(C)C(=O)N2C	REAL300000462839	0	42	-2.0	-99.50	359.67	5.88	-93.62
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1O)N(C)C(=O)N2C	REAL300000462840	0	42	-2.0	-93.01	365.04	6.02	-86.99
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2O)N(C)C(=O)N3C)C=C1C(=O)[O-]	REAL300000462841	0	43	-2.0	-104.45	377.22	5.53	-98.92
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2O)N(C)C(=O)N3C)=CC=C1C(=O)[O-]	REAL300000462842	0	42	-2.0	-94.14	369.24	5.94	-88.20
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C(O)C=C21	REAL300000462843	0	39	-2.0	-108.64	352.82	5.30	-103.34
CN1C(=O)N(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C(O)C=C21	REAL300000462844	0	38	-2.0	-100.80	345.83	3.43	-97.37
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2O)N(C)C(=O)N3C)C=C(C(=O)[O-])O1	REAL300000462845	0	42	-2.0	-99.25	371.32	5.28	-93.97
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1	REAL300000462848	1	42	-2.0	-114.72	351.25	9.01	-105.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCC2=CC2=C1CCC2	REAL300000462849	0	46	-2.0	-118.76	379.49	8.87	-109.89
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)C=C1	REAL300000462850	1	46	-2.0	-99.46	382.71	10.31	-89.15
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1	REAL300000462852	0	42	-2.0	-108.19	364.03	9.62	-98.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=CC=C1Cl	REAL300000462853	1	42	-2.0	-109.40	363.76	9.41	-99.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1C	REAL300000462854	1	48	-2.0	-115.32	384.99	10.42	-104.90
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1	REAL300000462855	0	42	-2.0	-110.66	356.78	9.12	-101.54
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)C=C1	REAL300000462856	1	48	-2.0	-98.76	394.82	10.61	-88.15
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1	REAL300000462857	0	39	-2.0	-107.78	344.50	8.09	-99.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCC2=CC2=C1CCC2	REAL300000462858	1	45	-2.0	-113.56	366.74	9.84	-103.72
CN1C=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)C=C1C(=O)[O-]	REAL300000462860	1	43	-2.0	-111.76	357.96	8.41	-103.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1	REAL300000462862	0	42	-2.0	-104.20	360.42	8.76	-95.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=CS1	REAL300000462864	0	39	-2.0	-109.28	342.90	8.07	-101.21
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCC2=CC2=C1CCC2	REAL300000462866	1	51	-2.0	-115.80	404.22	11.04	-104.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCC2=CC2=C1CCC2	REAL300000462867	1	48	-2.0	-111.02	374.68	10.53	-100.49
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1	REAL300000462868	1	49	-2.0	-118.10	395.84	10.96	-107.14
CC1=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)C=C(C(=O)[O-])O1	REAL300000462869	0	42	-2.0	-106.97	354.35	8.20	-98.77
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1	REAL300000462870	0	46	-2.0	-114.22	380.75	8.18	-106.04
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCC2=CC2=C1CCC2	REAL300000462871	1	45	-2.0	-104.06	372.02	9.88	-94.18
CC1=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)C=C(C(=O)[O-])S1	REAL300000462872	1	42	-2.0	-109.68	360.41	8.97	-100.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)C(Cl)=C1	REAL300000462873	0	42	-2.0	-97.56	363.94	9.61	-87.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)C=C1F	REAL300000462874	1	42	-2.0	-99.94	355.83	9.10	-90.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)S1	REAL300000462875	0	39	-2.0	-102.78	343.57	8.19	-94.59
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1	REAL300000462876	1	42	-2.0	-104.54	357.66	9.08	-95.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1F	REAL300000462877	0	45	-2.0	-112.08	377.55	9.77	-102.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)C(F)=C1	REAL300000462878	0	42	-2.0	-100.48	356.81	9.13	-91.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)C=C1Cl	REAL300000462879	1	42	-2.0	-97.99	363.80	9.46	-88.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=CC(F)=C1F	REAL300000462880	1	42	-2.0	-102.15	362.01	9.10	-93.05
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1	REAL300000462881	0	43	-2.0	-112.11	361.02	6.79	-105.32
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C3CCCC3=CC3=C2CCC3)=C1	REAL300000462881	1	43	-2.0	-109.64	355.12	7.48	-102.16
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)C=C1	REAL300000462882	1	45	-2.0	-104.37	373.43	9.80	-94.57
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C2CCCC2=CC2=C1CCC2	REAL300000462883	1	45	-2.0	-109.73	361.34	9.71	-100.02
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1	REAL300000462887	0	42	-2.0	-102.02	363.52	9.19	-92.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)C=C1C(=O)[O-]	REAL300000462889	0	45	-2.0	-111.40	373.05	9.66	-101.74
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1	REAL300000462890	0	45	-2.0	-119.85	376.82	9.76	-110.09
CCN1C=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)C=C1C(=O)[O-]	REAL300000462892	1	46	-2.0	-114.01	379.39	9.29	-104.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1F	REAL300000462895	0	42	-2.0	-119.00	354.95	9.09	-109.91
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)C=C1C(=O)[O-]	REAL300000462896	1	45	-2.0	-105.72	373.06	9.58	-96.14
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C1	REAL300000462897	0	41	-2.0	-111.83	348.00	7.20	-104.63
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2CCCC2=CC2=C1CCC2	REAL300000462898	0	46	-2.0	-104.87	379.51	8.87	-96.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)=C(Cl)O1	REAL300000462899	0	39	-2.0	-101.00	351.45	8.04	-92.96
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C4CCCC4=CC4=C3CCC4)C=C2)CC1	REAL300000462900	1	49	-2.0	-107.04	397.50	10.96	-96.08
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C4CCCC4=CC4=C3CCC4)C=C2C1	REAL300000462901	1	49	-2.0	-110.80	395.35	10.89	-99.91
CCC1=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2CCC3)C=C(C(=O)[O-])O1	REAL300000462902	0	45	-2.0	-106.54	371.57	8.99	-97.55
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC(C#N)=C3)C=C2)C=C1C(=O)[O-]	REAL300000462905	1	40	-2.0	-99.34	377.07	5.74	-93.60
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC(C#N)=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000462906	0	39	-2.0	-95.67	373.46	5.53	-90.14
N#CC1=CC(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=CC=N1	REAL300000462907	0	38	-2.0	-98.35	366.63	4.53	-93.82
CC1=CC(F)=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000462910	1	34	-2.0	-100.07	329.88	6.84	-93.23
CC1=CC(F)=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000462912	0	34	-2.0	-97.92	335.37	6.91	-91.01
CC1=CC(F)=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000462913	0	31	-2.0	-94.62	323.08	5.86	-88.76
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(F)(F)F)=C(F)C=C1C	REAL300000462914	1	37	-2.0	-102.23	345.33	7.63	-94.60
CC1=CC(F)=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000462915	1	35	-2.0	-98.57	336.54	6.19	-92.38
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(F)C=C2C)=C1	REAL300000462916	0	34	-2.0	-90.91	339.00	6.53	-84.38
CC1=CC(F)=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000462917	0	31	-2.0	-96.08	321.54	5.88	-90.20
CC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(F)C=C2C)C=C(C(=O)[O-])O1	REAL300000462918	0	34	-2.0	-95.41	332.90	5.98	-89.43
CC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(F)C=C2C)C=C(C(=O)[O-])S1	REAL300000462919	1	34	-2.0	-98.66	339.59	6.73	-91.93
CC1=CC(F)=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000462920	1	34	-2.0	-87.95	334.42	6.88	-81.07
CC1=CC(F)=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000462921	0	31	-2.0	-89.78	322.16	5.97	-83.81
CC1=CC(F)=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000462922	1	34	-2.0	-91.24	336.30	6.91	-84.33
CC1=CC(F)=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000462923	0	34	-2.0	-87.34	335.35	6.92	-80.42
CC1=CC(F)=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000462924	0	35	-2.0	-101.50	339.61	4.56	-96.94
CC1=CC(F)=C(C(F)(F)F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000462924	1	35	-2.0	-111.61	333.14	4.86	-106.75
CC1=CC(F)=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000462925	1	37	-2.0	-92.24	352.07	7.62	-84.62
CC1=CC(F)=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000462926	1	37	-2.0	-95.54	339.93	7.47	-88.07
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(F)C=C2C)C=C1C(=O)[O-]	REAL300000462928	1	38	-2.0	-99.70	357.92	7.07	-92.63
CC1=CC(F)=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000462930	0	34	-2.0	-102.80	333.53	6.87	-95.93
CC1=CC(F)=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000462931	0	33	-2.0	-98.52	326.87	4.91	-93.61
CCC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(F)C=C2C)C=C(C(=O)[O-])O1	REAL300000462932	0	37	-2.0	-95.44	352.01	6.83	-88.61
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000462933	0	33	-2.0	-97.80	325.79	5.09	-92.71
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000462934	0	33	-2.0	-88.25	321.24	5.08	-83.17
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000462935	0	33	-2.0	-99.98	321.25	5.06	-94.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)(F)F)C=C1C	REAL300000462936	0	37	-2.0	-105.81	348.60	4.79	-101.02
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000462937	0	37	-2.0	-88.39	351.91	6.28	-82.11
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C=C2C)C=C1C(=O)[O-]	REAL300000462938	0	36	-2.0	-100.85	337.27	5.59	-95.26
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000462939	0	33	-2.0	-96.40	333.53	5.55	-90.85
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000462940	0	33	-2.0	-95.98	333.77	5.46	-90.52
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000462941	0	39	-2.0	-103.76	353.65	6.38	-97.38
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000462942	0	33	-2.0	-97.62	325.94	5.04	-92.58
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000462943	0	39	-2.0	-87.58	364.82	6.65	-80.93
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000462944	0	30	-2.0	-94.53	314.44	4.09	-90.44
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)(F)F)C=C1C	REAL300000462945	0	36	-2.0	-101.99	335.89	5.77	-96.22
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000462946	1	37	-2.0	-86.96	351.53	5.26	-81.70
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000462947	0	34	-2.0	-98.36	327.90	4.42	-93.94
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000462948	1	37	-2.0	-102.50	344.66	3.80	-98.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C=C2C)=C1	REAL300000462949	0	33	-2.0	-90.73	330.38	4.75	-85.98
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000462950	1	39	-2.0	-102.98	351.91	6.31	-96.67
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000462951	0	30	-2.0	-95.95	312.90	4.10	-91.85
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C=C2C)C=C1C(=O)[O-]	REAL300000462952	1	37	-2.0	-105.80	348.54	5.15	-100.65
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)(F)F)C=C1C	REAL300000462953	0	39	-2.0	-100.77	351.33	6.79	-93.98
CC1=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C=C2C)C=C(C(=O)[O-])O1	REAL300000462954	0	33	-2.0	-94.97	323.47	4.13	-90.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C=C2C)=C1	REAL300000462955	0	37	-2.0	-99.68	350.17	4.16	-95.52
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000462956	0	36	-2.0	-92.70	341.96	5.89	-86.81
CC1=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C=C2C)C=C(C(=O)[O-])S1	REAL300000462957	0	33	-2.0	-98.48	329.08	4.88	-93.60
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000462958	0	33	-2.0	-85.94	333.51	5.54	-80.40
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000462959	0	33	-2.0	-87.99	325.79	5.10	-82.89
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000462960	0	30	-2.0	-89.71	312.72	4.11	-85.60
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000462961	0	33	-2.0	-91.16	327.67	5.13	-86.03
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000462962	0	36	-2.0	-98.91	346.22	5.69	-93.22
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000462963	0	33	-2.0	-87.38	325.92	5.05	-82.33
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000462964	0	33	-2.0	-85.93	333.75	5.46	-80.47
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000462965	0	33	-2.0	-89.69	331.28	5.08	-84.61
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000462966	0	34	-2.0	-101.17	330.17	2.71	-98.46
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000462967	0	36	-2.0	-92.08	343.43	5.84	-86.24
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000462968	0	36	-2.0	-95.58	330.50	5.62	-89.96
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000462969	0	36	-2.0	-98.98	346.09	5.72	-93.26
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000462970	1	36	-2.0	-88.81	336.66	5.85	-82.96
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000462971	0	39	-2.0	-103.97	358.75	6.26	-97.71
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000462972	0	33	-2.0	-89.37	332.19	5.12	-84.25
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C=C2C)C(C)=C1C(=O)[O-]	REAL300000462973	1	39	-2.0	-99.74	354.94	6.38	-93.36
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000462974	0	36	-2.0	-99.85	346.56	5.76	-94.09
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C=C2C)=C1	REAL300000462975	0	36	-2.0	-103.58	345.50	5.67	-97.91
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C=C2C)C=C1C(=O)[O-]	REAL300000462976	0	39	-2.0	-101.55	355.58	6.25	-95.30
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C=C2C)C=C1C(=O)[O-]	REAL300000462977	0	37	-2.0	-99.52	349.27	5.29	-94.23
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000462978	0	36	-2.0	-88.25	337.26	5.60	-82.65
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000462979	0	36	-2.0	-99.97	340.78	5.90	-94.07
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000462980	0	33	-2.0	-102.89	324.89	5.09	-97.80
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000462981	0	36	-2.0	-92.83	346.21	5.74	-87.09
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000462982	0	32	-2.0	-97.46	316.67	3.10	-94.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C(F)(F)F)C=C1C	REAL300000462983	0	37	-2.0	-92.13	348.66	4.79	-87.34
CC1=CC(C(F)(F)F)=NC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000462984	0	30	-2.0	-88.65	320.56	3.95	-84.70
CCC1=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C=C2C)C=C(C(=O)[O-])O1	REAL300000462985	0	36	-2.0	-95.08	343.38	5.06	-90.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCCNC3=O)=C2)=C1	REAL300000462987	1	41	-2.0	-114.47	368.90	4.92	-109.55
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCCNC3=O)=C2)=C1	REAL300000462988	0	38	-2.0	-106.39	362.08	3.94	-102.45
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCCNC3=O)=C2)C=C1C(=O)[O-]	REAL300000462989	1	42	-2.0	-112.52	375.55	4.27	-108.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCCNC3=O)=C2)=CS1	REAL300000462990	0	38	-2.0	-107.57	360.55	3.95	-103.62
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCCNC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000462991	0	41	-2.0	-107.75	371.91	4.06	-103.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCCNC3=O)=C2)S1	REAL300000462992	0	38	-2.0	-102.89	361.17	4.05	-98.84
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCCNC3=O)=C2)=C1	REAL300000462993	0	40	-2.0	-109.77	365.11	3.05	-106.72
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000462994	0	44	-2.0	-120.68	380.64	7.71	-112.97
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1C1CCCCC1	REAL300000462995	0	44	-2.0	-110.11	376.09	7.68	-102.43
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000462996	0	44	-2.0	-123.97	376.11	7.67	-116.30
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C(C)=C1	REAL300000462997	0	48	-2.0	-130.39	404.25	7.49	-122.90
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1C1CCCCC1	REAL300000462998	0	48	-2.0	-109.41	407.56	8.97	-100.44
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000462999	0	47	-2.0	-125.35	392.12	8.21	-117.14
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NN1C1CCCCC1	REAL300000463000	0	44	-2.0	-119.53	389.18	8.24	-111.29
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000463001	0	44	-2.0	-119.34	388.61	8.07	-111.27
CC1=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000463002	0	50	-2.0	-126.99	409.21	8.99	-118.00
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1C1CCCCC1	REAL300000463003	0	44	-2.0	-121.66	381.59	7.74	-113.92
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1C1CCCCC1	REAL300000463004	0	50	-2.0	-108.96	419.67	9.27	-99.69
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1C1CCCCC1	REAL300000463005	0	41	-2.0	-117.54	369.29	6.70	-110.84
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1C1CCCCC1	REAL300000463006	0	47	-2.0	-125.07	391.54	8.45	-116.62
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NN1C1CCCCC1	REAL300000463007	0	48	-2.0	-108.15	407.17	7.96	-100.19
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000463008	0	45	-2.0	-122.08	382.76	7.02	-115.06
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NN1C1CCCCC1	REAL300000463009	0	48	-2.0	-125.25	400.31	6.49	-118.76
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1C1CCCCC1	REAL300000463010	0	44	-2.0	-113.35	385.21	7.36	-105.99
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000463011	0	50	-2.0	-126.55	407.56	8.98	-117.57
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000463012	0	41	-2.0	-119.11	367.75	6.70	-112.41
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C(C)=C2)C=C1C(=O)[O-]	REAL300000463013	0	48	-2.0	-129.78	403.39	7.74	-122.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCCCC2)C(C)=C1	REAL300000463014	0	50	-2.0	-123.19	406.26	9.40	-113.79
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000463015	0	44	-2.0	-116.98	379.12	6.82	-110.16
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=NN1C1CCCCC1	REAL300000463016	0	48	-2.0	-124.75	405.02	6.78	-117.97
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NN1C1CCCCC1	REAL300000463017	0	47	-2.0	-114.79	396.81	8.49	-106.30
CC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000463018	0	44	-2.0	-120.93	384.72	7.57	-113.36
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NN1C1CCCCC1	REAL300000463019	0	44	-2.0	-107.54	389.16	8.23	-99.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1C1CCCCC1	REAL300000463020	0	44	-2.0	-109.13	380.64	7.72	-101.41
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1C1CCCCC1	REAL300000463021	0	41	-2.0	-111.97	368.36	6.81	-105.16
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000463022	0	44	-2.0	-114.12	382.51	7.74	-106.38
CC1=CC([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000463023	0	47	-2.0	-123.23	401.86	8.38	-114.85
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1C1CCCCC1	REAL300000463024	0	44	-2.0	-109.75	381.57	7.75	-102.00
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1C1CCCCC1	REAL300000463025	0	44	-2.0	-107.44	388.61	8.08	-99.36
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000463026	0	44	-2.0	-111.54	386.93	7.77	-103.77
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1C1CCCCC1	REAL300000463027	0	45	-2.0	-124.01	385.82	5.40	-118.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1C1CCCCC1	REAL300000463028	0	47	-2.0	-114.51	398.27	8.46	-106.05
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1C1CCCCC1	REAL300000463029	0	47	-2.0	-119.51	386.19	8.30	-111.21
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)=NN1C1CCCCC1	REAL300000463030	0	47	-2.0	-122.20	400.94	8.33	-113.87
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1C1CCCCC1	REAL300000463031	0	47	-2.0	-110.17	391.52	8.45	-101.72
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=NN1C1CCCCC1	REAL300000463032	0	50	-2.0	-128.74	412.93	8.85	-119.89
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NN1C1CCCCC1	REAL300000463033	0	44	-2.0	-112.51	387.84	7.80	-104.71
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1C1CCCCC1	REAL300000463034	0	50	-2.0	-123.72	410.58	9.04	-114.68
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000463035	0	47	-2.0	-123.05	397.60	8.28	-114.77
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=NN1C1CCCCC1	REAL300000463036	0	47	-2.0	-128.75	401.12	8.37	-120.38
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C(C)=C2)C=C1C(=O)[O-]	REAL300000463037	0	50	-2.0	-126.25	410.07	8.86	-117.39
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3CCCCC3)C(C)=C2)C=C1C(=O)[O-]	REAL300000463038	0	48	-2.0	-123.45	404.13	7.90	-115.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1C1CCCCC1	REAL300000463039	0	47	-2.0	-111.87	396.16	8.32	-103.55
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NN1C1CCCCC1	REAL300000463040	0	47	-2.0	-122.03	395.64	8.51	-113.52
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1C1CCCCC1	REAL300000463041	0	44	-2.0	-127.85	379.76	7.71	-120.14
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NN1C1CCCCC1	REAL300000463042	0	47	-2.0	-115.14	397.27	8.25	-106.89
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1C1CCCCC1	REAL300000463043	0	43	-2.0	-121.71	372.32	5.80	-115.91
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CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)C=C1C(=O)[O-]	REAL300000463085	1	39	-2.0	-104.64	353.27	6.36	-98.28
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)C=C(C(=O)[O-])S1	REAL300000463086	0	32	-2.0	-96.27	313.81	5.26	-91.01
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CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)=C1F	REAL300000463091	0	35	-2.0	-96.62	329.87	6.07	-90.55
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CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1COC2=O	REAL300000463095	1	35	-2.0	-92.26	333.56	6.58	-85.68
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CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1COC2=O	REAL300000463102	1	35	-2.0	-94.31	314.19	6.01	-88.30
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)=CC(C(=O)[O-])=C1F	REAL300000463103	1	35	-2.0	-97.46	328.95	6.04	-91.42
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1COC2=O	REAL300000463104	1	35	-2.0	-87.43	319.53	6.14	-81.29
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)=CC(C(=O)[O-])=C1C	REAL300000463105	1	38	-2.0	-102.15	340.92	6.54	-95.61
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)C(C)=C1C(=O)[O-]	REAL300000463108	1	38	-2.0	-98.43	338.60	6.76	-91.67
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)C=C1C(=O)[O-]	REAL300000463109	0	35	-2.0	-97.48	329.44	6.08	-91.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)=C1Cl	REAL300000463110	0	35	-2.0	-95.69	335.90	6.50	-89.19
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)=C1	REAL300000463111	0	35	-2.0	-102.24	329.16	6.08	-96.16
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)C=C1C(=O)[O-]	REAL300000463112	1	38	-2.0	-99.67	338.44	6.56	-93.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)C=C1CC(=O)[O-]	REAL300000463113	1	39	-2.0	-99.95	354.59	5.51	-94.44
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1COC2=O	REAL300000463114	1	35	-2.0	-88.07	330.38	6.56	-81.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)=CC(C(=O)[O-])=C1Cl	REAL300000463115	1	35	-2.0	-95.94	335.34	6.34	-89.60
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)C=C1C(=O)[O-]	REAL300000463116	0	36	-2.0	-97.94	332.07	5.59	-92.35
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)C(C)=C1CC(=O)[O-]	REAL300000463117	1	44	-2.0	-97.81	369.27	8.25	-89.56
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)C=C1C(=O)[O-]	REAL300000463118	1	35	-2.0	-91.64	333.98	6.34	-85.30
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)C=C(C(=O)[O-])S1	REAL300000463119	0	41	-2.0	-96.16	353.56	7.52	-88.64
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)C=C1C(=O)[O-]	REAL300000463120	0	36	-2.0	-99.71	344.45	6.01	-93.70
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)=CC=C1C(=O)[O-]	REAL300000463121	1	35	-2.0	-86.91	320.13	5.93	-80.98
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CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1COC2=O	REAL300000463123	1	35	-2.0	-97.80	323.66	6.21	-91.59
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CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)C=C1C(=O)[O-]	REAL300000463126	1	35	-2.0	-90.14	325.28	5.96	-84.18
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COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1COC2=O	REAL300000463129	0	36	-2.0	-90.64	332.32	5.18	-85.46
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CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2COC3=O)C=C(C(=O)[O-])O1	REAL300000463133	0	35	-2.0	-93.28	326.25	5.36	-87.92
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CC=C1N1C=NNC1=O	REAL300000463136	1	38	-2.0	-108.15	354.32	6.55	-101.60
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1N1C=NNC1=O	REAL300000463137	1	38	-2.0	-96.86	349.78	6.53	-90.33
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1N1C=NNC1=O	REAL300000463138	1	38	-2.0	-107.15	349.76	6.51	-100.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C=NNC3=O)=C2C)C=C1C(=O)[O-]	REAL300000463139	1	41	-2.0	-111.53	365.80	7.05	-104.48
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CC=C1N1C=NNC1=O	REAL300000463140	0	38	-2.0	-104.83	355.26	6.58	-98.25
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC=C1N1C=NNC1=O	REAL300000463141	0	35	-2.0	-102.24	342.96	5.53	-96.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C=NNC2=O)=C1C	REAL300000463142	1	41	-2.0	-107.83	365.20	7.31	-100.52
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC=C1N1C=NNC1=O	REAL300000463143	0	39	-2.0	-106.03	356.43	5.87	-100.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3C=NNC3=O)=C2C)=C1	REAL300000463144	0	38	-2.0	-100.16	358.90	6.20	-93.96
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1N1C=NNC1=O	REAL300000463145	0	35	-2.0	-105.97	341.44	5.55	-100.42
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=NNC3=O)=C2C)C=C(C(=O)[O-])O1	REAL300000463146	0	38	-2.0	-101.85	352.79	5.66	-96.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=NNC3=O)=C2C)C=C(C(=O)[O-])S1	REAL300000463147	1	38	-2.0	-104.74	358.40	6.41	-98.33
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC=C1N1C=NNC1=O	REAL300000463148	1	38	-2.0	-96.80	354.31	6.56	-90.24
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC=C1N1C=NNC1=O	REAL300000463149	0	35	-2.0	-98.97	342.02	5.65	-93.32
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC=C1N1C=NNC1=O	REAL300000463150	1	38	-2.0	-101.20	356.20	6.58	-94.62
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC=C1N1C=NNC1=O	REAL300000463151	0	38	-2.0	-96.58	355.24	6.59	-89.99
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CC=C1N1C=NNC1=O	REAL300000463152	0	39	-2.0	-106.97	359.49	4.22	-102.75
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC=C1N1C=NNC1=O	REAL300000463152	1	39	-2.0	-116.33	353.58	5.09	-111.24
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CC=C1N1C=NNC1=O	REAL300000463153	1	41	-2.0	-100.85	371.96	7.29	-93.56
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=CC=C1N1C=NNC1=O	REAL300000463154	1	41	-2.0	-106.51	359.82	7.16	-99.35
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C=NNC3=O)=C2C)C=C1C(=O)[O-]	REAL300000463156	0	42	-2.0	-109.85	377.73	6.72	-103.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C=NNC3=O)=C2C)=CC=C1C(=O)[O-]	REAL300000463157	1	41	-2.0	-96.78	365.79	7.06	-89.72
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CC=C1N1C=NNC1=O	REAL300000463158	0	38	-2.0	-114.76	353.42	6.54	-108.22
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1N1C=NNC1=O	REAL300000463159	0	37	-2.0	-105.32	346.75	4.58	-100.74
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC=C1N1C=NNC1=O	REAL300000463160	0	35	-2.0	-96.43	349.87	5.49	-90.94
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C=NNC3=O)=C2C)C=C(C(=O)[O-])O1	REAL300000463161	0	41	-2.0	-101.43	371.88	6.50	-94.93
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(COC(C)C)=C1	REAL300000463165	0	46	-2.0	-115.58	399.22	3.62	-111.96
CC(C)OCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1O	REAL300000463168	0	42	-2.0	-105.69	384.15	4.39	-101.30
CC(C)OCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1O	REAL300000463171	0	42	-2.0	-107.49	376.55	3.88	-103.61
CC(C)OCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1O	REAL300000463173	0	39	-2.0	-104.61	364.26	2.83	-101.78
CC(C)OCC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1O	REAL300000463176	1	43	-2.0	-109.39	377.73	3.18	-106.21
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C(COC(C)C)=C2)=C1	REAL300000463178	0	42	-2.0	-101.15	380.19	3.51	-97.64
CC(C)OCC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1O	REAL300000463180	1	39	-2.0	-106.04	362.73	2.85	-103.19
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(COC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000463183	0	42	-2.0	-103.92	374.08	2.96	-100.96
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(O)C(COC(C)C)=C2)=C1	REAL300000463184	0	46	-2.0	-111.51	400.06	2.91	-108.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(COC(C)C)=C1	REAL300000463185	1	45	-2.0	-101.41	391.79	4.64	-96.77
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(COC(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000463186	1	42	-2.0	-107.28	379.68	3.71	-103.57
CC(C)OCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1O	REAL300000463187	1	42	-2.0	-95.55	384.13	4.38	-91.17
CC(C)OCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1O	REAL300000463189	0	39	-2.0	-99.83	363.35	2.95	-96.88
CC(C)OCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000463190	1	42	-2.0	-101.77	377.48	3.89	-97.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C(COC(C)C)=C2)=C1F	REAL300000463191	0	45	-2.0	-109.38	396.84	4.53	-104.85
CC(C)OCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1O	REAL300000463192	0	42	-2.0	-97.42	376.54	3.89	-93.53
CC(C)OCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1O	REAL300000463194	0	43	-2.0	-109.46	380.79	1.53	-107.93
CC(C)OCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1O	REAL300000463194	1	43	-2.0	-110.57	379.88	2.40	-108.17
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C(COC(C)C)=C2)C=C1C(=O)[O-]	REAL300000463201	0	45	-2.0	-109.81	396.40	4.52	-105.29
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(COC(C)C)=C2)=C1	REAL300000463202	0	45	-2.0	-116.39	396.11	4.51	-111.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(COC(C)C)=C2)C=C1C(=O)[O-]	REAL300000463204	1	46	-2.0	-110.68	399.10	4.04	-106.64
CC(C)OCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1O	REAL300000463207	0	42	-2.0	-114.90	374.70	3.85	-111.05
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(O)C(COC(C)C)=C2)C=C1C(=O)[O-]	REAL300000463208	1	45	-2.0	-103.12	396.02	4.50	-98.62
CC(C)OCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1O	REAL300000463209	0	41	-2.0	-108.75	367.30	1.95	-106.80
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(COC(C)C)=C1	REAL300000463210	0	46	-2.0	-102.35	399.28	3.62	-98.73
CC(C)OCC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1O	REAL300000463211	0	39	-2.0	-98.30	371.23	2.81	-95.49
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(COC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000463212	0	45	-2.0	-103.69	393.21	3.81	-99.88
CNS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000463213	0	37	-2.0	-97.94	345.92	0.55	-97.39
CNS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000463214	0	37	-2.0	-107.36	345.95	0.53	-106.83
CNS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000463215	0	34	-2.0	-102.60	339.15	-0.41	-103.01
CNS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000463216	0	38	-2.0	-106.46	352.60	-0.08	-106.54
CNS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000463217	0	34	-2.0	-107.05	337.60	-0.41	-107.46
CNS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000463218	0	37	-2.0	-102.33	348.96	-0.32	-102.65
CNS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000463219	0	34	-2.0	-99.90	338.22	-0.30	-100.20
CNS(=O)(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000463220	0	36	-2.0	-107.65	342.15	-1.31	-108.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC=C1F	REAL300000463221	0	34	-2.0	-104.46	320.72	2.31	-102.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1	REAL300000463222	0	34	-2.0	-95.24	316.19	2.27	-92.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC=C1	REAL300000463223	0	34	-2.0	-107.72	316.19	2.28	-105.44
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC(=O)N2	REAL300000463224	0	38	-2.0	-112.46	344.34	2.07	-110.39
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1	REAL300000463225	0	38	-2.0	-94.64	347.67	3.56	-91.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1C(=O)[O-]	REAL300000463226	0	37	-2.0	-110.21	336.26	2.93	-107.28
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C1	REAL300000463227	0	34	-2.0	-102.65	329.28	2.84	-99.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC=C1Cl	REAL300000463228	0	34	-2.0	-102.76	328.70	2.67	-100.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C1C	REAL300000463229	0	40	-2.0	-109.84	349.31	3.60	-106.24
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C1	REAL300000463230	0	34	-2.0	-104.47	321.67	2.33	-102.14
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1	REAL300000463231	0	40	-2.0	-93.92	359.78	3.85	-90.07
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C1	REAL300000463232	0	31	-2.0	-102.17	309.40	1.30	-100.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC(=O)N2	REAL300000463233	0	37	-2.0	-108.00	331.64	3.05	-104.95
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1	REAL300000463234	0	38	-2.0	-93.22	347.28	2.56	-90.66
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1C(=O)[O-]	REAL300000463235	0	35	-2.0	-106.11	322.86	1.62	-104.49
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC(=O)N2	REAL300000463236	0	38	-2.0	-108.62	339.99	1.10	-107.52
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C1	REAL300000463237	0	34	-2.0	-97.98	325.32	1.96	-96.02
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1C(=O)[O-]	REAL300000463238	0	40	-2.0	-109.13	347.66	3.60	-105.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CS1	REAL300000463239	0	31	-2.0	-102.78	307.86	1.30	-101.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1C(=O)[O-]	REAL300000463240	0	38	-2.0	-112.58	343.47	2.35	-110.23
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC(=O)N2	REAL300000463241	0	43	-2.0	-110.07	370.11	4.28	-105.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC(=O)N2	REAL300000463242	0	40	-2.0	-106.01	346.33	4.00	-102.01
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC(=O)N2	REAL300000463243	0	41	-2.0	-113.27	366.63	2.84	-110.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC(C(=O)[O-])=C1	REAL300000463244	0	36	-3.0	-183.03	344.61	2.84	-180.19
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2OCC(=O)N3)=CC(C(=O)[O-])=C1	REAL300000463244	1	37	-2.0	-107.61	344.64	2.78	-104.83
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C1	REAL300000463245	0	41	-2.0	-112.23	360.45	4.17	-108.06
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C(C(=O)[O-])O1	REAL300000463246	0	34	-2.0	-101.61	319.21	1.41	-100.20
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C1	REAL300000463247	0	38	-2.0	-107.96	345.17	1.36	-106.60
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC=C1OCC(=O)[O-]	REAL300000463248	0	41	-2.0	-93.75	367.36	3.25	-90.50
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC(=O)N2	REAL300000463249	0	37	-2.0	-98.87	336.91	3.09	-95.78
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1F	REAL300000463250	0	38	-2.0	-92.79	353.52	2.61	-90.18
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1C(=O)[O-]	REAL300000463251	0	41	-2.0	-113.23	365.36	3.25	-109.98
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C(C(=O)[O-])S1	REAL300000463252	0	34	-2.0	-104.50	325.90	2.16	-102.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C(Cl)=C1	REAL300000463253	0	34	-2.0	-92.66	329.25	2.83	-89.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1F	REAL300000463254	0	34	-2.0	-94.83	320.72	2.30	-92.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)S1	REAL300000463255	0	31	-2.0	-96.84	308.47	1.40	-95.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC(F)=C1	REAL300000463256	0	34	-2.0	-97.99	322.62	2.33	-95.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C1F	REAL300000463257	0	37	-2.0	-105.84	341.95	2.97	-102.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C(F)=C1	REAL300000463258	0	34	-2.0	-94.60	321.67	2.34	-92.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1Cl	REAL300000463259	0	34	-2.0	-92.88	328.69	2.66	-90.22
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC(=O)N2	REAL300000463260	0	37	-2.0	-100.41	345.65	3.47	-96.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC(F)=C1F	REAL300000463261	0	34	-2.0	-97.00	327.03	2.36	-94.64
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C1	REAL300000463262	0	36	-2.0	-92.94	344.39	2.94	-90.00
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C1	REAL300000463263	0	35	-2.0	-106.68	325.92	-0.02	-106.70
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1	REAL300000463264	0	37	-2.0	-99.65	338.39	3.05	-96.60
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC(=O)N2	REAL300000463265	0	37	-2.0	-103.32	326.24	2.90	-100.42
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC(C(=O)[O-])=C1F	REAL300000463266	0	37	-2.0	-105.88	341.04	2.92	-102.96
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC(=O)N2	REAL300000463267	0	37	-2.0	-95.40	331.62	3.05	-92.35
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC(C(=O)[O-])=C1C	REAL300000463268	0	40	-2.0	-110.69	349.67	3.35	-107.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC=C1[N+](=O)[O-]	REAL300000463269	0	36	-2.0	-105.49	342.75	3.38	-102.11
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C1	REAL300000463270	0	34	-2.0	-96.24	327.94	2.40	-93.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C(C)=C1C(=O)[O-]	REAL300000463271	0	40	-2.0	-107.85	349.74	3.67	-104.18
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1C(=O)[O-]	REAL300000463272	0	37	-2.0	-106.74	341.53	2.97	-103.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C1Cl	REAL300000463273	0	37	-2.0	-104.51	347.98	3.41	-101.10
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C1	REAL300000463274	0	37	-2.0	-112.04	341.24	2.96	-109.08
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1C(=O)[O-]	REAL300000463275	0	40	-2.0	-108.55	350.53	3.45	-105.10
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1CC(=O)[O-]	REAL300000463276	0	41	-2.0	-110.42	366.65	2.41	-108.01
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC(=O)N2	REAL300000463277	0	37	-2.0	-96.84	342.47	3.46	-93.38
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC(C(=O)[O-])=C1Cl	REAL300000463278	0	37	-2.0	-104.51	347.43	3.23	-101.28
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1C(=O)[O-]	REAL300000463279	0	38	-2.0	-107.41	344.15	2.47	-104.94
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1C(=O)[O-]	REAL300000463280	0	37	-2.0	-101.10	346.08	3.23	-97.87
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC=C1C(=O)[O-]	REAL300000463281	0	37	-2.0	-95.44	332.20	2.83	-92.61
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC(=O)N2	REAL300000463282	0	37	-2.0	-105.89	335.74	3.10	-102.79
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC=C1	REAL300000463283	0	36	-2.0	-114.03	339.94	4.12	-109.91
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC=C1	REAL300000463284	0	34	-2.0	-111.28	319.85	2.30	-108.98
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C1C(=O)[O-]	REAL300000463285	0	37	-2.0	-99.42	337.38	2.83	-96.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=CC2=CC=CC=C21	REAL300000463286	0	40	-2.0	-114.87	357.24	4.39	-110.48
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C1	REAL300000463287	0	33	-2.0	-104.76	312.42	0.38	-104.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC(=O)N2	REAL300000463288	0	38	-2.0	-99.18	344.40	2.07	-97.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)=C(Cl)O1	REAL300000463289	0	31	-2.0	-95.50	316.31	1.23	-94.27
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OCC(=O)N4)C=C2)CC1	REAL300000463290	0	41	-2.0	-101.49	362.33	4.15	-97.34
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OCC(=O)N4)C=C2C1	REAL300000463291	0	41	-2.0	-104.33	360.29	4.13	-100.20
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC(=O)N3)C=C(C(=O)[O-])O1	REAL300000463292	0	37	-2.0	-101.27	338.33	2.26	-99.01
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1	REAL300000463293	0	38	-2.0	-90.98	353.99	1.10	-89.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CC=C1F	REAL300000463294	0	31	-2.0	-107.43	302.05	2.54	-104.89
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2	REAL300000463295	0	39	-2.0	-106.64	357.14	3.61	-103.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1	REAL300000463296	0	31	-2.0	-97.89	297.51	2.52	-95.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1	REAL300000463297	0	31	-2.0	-109.67	297.52	2.51	-107.16
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2	REAL300000463298	0	35	-2.0	-113.29	325.66	2.32	-110.97
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1	REAL300000463299	0	35	-2.0	-96.98	328.98	3.81	-93.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1C(=O)[O-]	REAL300000463300	0	34	-2.0	-112.23	317.59	3.16	-109.07
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1	REAL300000463301	0	31	-2.0	-103.88	310.60	3.08	-100.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CC=C1Cl	REAL300000463302	0	31	-2.0	-105.64	310.03	2.91	-102.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1C	REAL300000463303	0	37	-2.0	-110.63	329.91	3.82	-106.81
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1	REAL300000463304	0	31	-2.0	-105.68	302.99	2.59	-103.09
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1	REAL300000463305	0	37	-2.0	-95.82	341.09	4.11	-91.71
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1	REAL300000463306	0	28	-2.0	-104.51	290.71	1.54	-102.97
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2	REAL300000463307	0	34	-2.0	-108.77	312.95	3.30	-105.47
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1	REAL300000463308	0	35	-2.0	-95.71	328.60	2.81	-92.90
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1C(=O)[O-]	REAL300000463309	0	32	-2.0	-108.25	304.17	1.87	-106.38
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2	REAL300000463310	0	35	-2.0	-109.36	321.30	1.35	-108.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1	REAL300000463311	0	31	-2.0	-100.79	306.63	2.20	-98.59
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1C(=O)[O-]	REAL300000463312	0	37	-2.0	-111.34	332.97	3.93	-107.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CS1	REAL300000463313	0	28	-2.0	-105.79	289.18	1.56	-104.23
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CC(C(=O)[O-])=C1OC	REAL300000463314	0	39	-2.0	-110.63	355.83	2.33	-108.30
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1C(=O)[O-]	REAL300000463315	0	35	-2.0	-115.60	324.80	2.58	-113.02
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1	REAL300000463316	0	41	-2.0	-112.52	352.76	5.14	-107.38
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2	REAL300000463317	0	40	-2.0	-110.69	351.42	4.53	-106.16
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2	REAL300000463318	0	37	-2.0	-106.70	327.64	4.25	-102.45
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2	REAL300000463319	0	38	-2.0	-115.11	347.95	3.09	-112.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CC(C(=O)[O-])=C1	REAL300000463320	0	33	-3.0	-186.38	325.93	3.09	-183.29
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2OC(=O)N3)=CC(C(=O)[O-])=C1	REAL300000463320	1	34	-2.0	-110.51	326.25	3.00	-107.51
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1	REAL300000463321	0	38	-2.0	-112.91	341.77	4.42	-108.49
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C(C(=O)[O-])O1	REAL300000463322	0	31	-2.0	-103.13	300.53	1.66	-101.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CC2=C1OCCO2	REAL300000463323	0	37	-2.0	-114.68	339.70	2.30	-112.38
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1	REAL300000463324	0	35	-2.0	-112.62	326.44	1.61	-111.01
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OC(=O)N4)C=C2C1	REAL300000463325	0	39	-2.0	-96.13	350.44	3.13	-93.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C(Cl)C=C1F	REAL300000463326	0	31	-2.0	-100.85	315.11	3.11	-97.74
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1Cl	REAL300000463327	0	35	-2.0	-94.38	344.62	3.35	-91.03
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CC=C1OCC(=O)[O-]	REAL300000463328	0	38	-2.0	-96.20	348.68	3.51	-92.69
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2	REAL300000463329	0	34	-2.0	-100.07	318.23	3.34	-96.73
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1F	REAL300000463330	0	35	-2.0	-95.45	334.81	2.87	-92.58
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1C(=O)[O-]	REAL300000463331	0	38	-2.0	-116.33	346.65	3.49	-112.84
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C(C(=O)[O-])S1	REAL300000463332	0	31	-2.0	-105.65	307.21	2.41	-103.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C(Cl)=C1	REAL300000463333	0	31	-2.0	-95.46	310.58	3.08	-92.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1F	REAL300000463334	0	31	-2.0	-97.61	302.03	2.56	-95.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)S1	REAL300000463335	0	28	-2.0	-99.66	289.77	1.65	-98.01
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1	REAL300000463336	0	31	-2.0	-100.83	303.92	2.59	-98.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1F	REAL300000463337	0	34	-2.0	-107.13	323.28	3.23	-103.90
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C(Cl)C=C1C(=O)[O-]	REAL300000463338	0	35	-2.0	-100.26	337.82	3.14	-97.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C(F)=C1	REAL300000463339	0	31	-2.0	-97.51	302.97	2.59	-94.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1Cl	REAL300000463340	0	31	-2.0	-95.54	310.01	2.92	-92.62
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2	REAL300000463341	0	34	-2.0	-101.58	326.96	3.72	-97.86
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1	REAL300000463342	0	39	-2.0	-93.63	361.27	3.93	-89.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CC(F)=C1F	REAL300000463343	0	31	-2.0	-99.31	308.34	2.62	-96.69
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1	REAL300000463344	0	33	-2.0	-95.24	325.71	3.19	-92.05
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1	REAL300000463345	0	32	-2.0	-107.02	307.23	0.23	-106.79
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1	REAL300000463346	0	34	-2.0	-100.03	319.70	3.31	-96.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CC(Cl)=C1F	REAL300000463347	0	31	-2.0	-100.60	318.23	3.05	-97.55
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2	REAL300000463348	0	34	-2.0	-107.26	307.56	3.16	-104.10
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CC(C(=O)[O-])=C1F	REAL300000463349	0	34	-2.0	-108.73	322.36	3.17	-105.56
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2	REAL300000463350	0	34	-2.0	-97.77	312.93	3.29	-94.48
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CC(C(=O)[O-])=C1C	REAL300000463351	0	37	-2.0	-114.04	334.36	3.69	-110.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CC=C1[N+](=O)[O-]	REAL300000463352	0	33	-2.0	-108.70	324.08	3.61	-105.09
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1	REAL300000463353	0	31	-2.0	-98.07	309.25	2.65	-95.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C(C)=C1C(=O)[O-]	REAL300000463354	0	37	-2.0	-111.78	331.05	3.92	-107.86
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1C(=O)[O-]	REAL300000463355	0	34	-2.0	-107.99	322.83	3.21	-104.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1Cl	REAL300000463356	0	34	-2.0	-105.60	329.28	3.66	-101.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1	REAL300000463357	0	34	-2.0	-116.17	322.55	3.21	-112.96
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1C(=O)[O-]	REAL300000463358	0	37	-2.0	-111.51	331.46	3.71	-107.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1CC(=O)[O-]	REAL300000463359	0	38	-2.0	-113.66	347.98	2.64	-111.02
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2	REAL300000463360	0	34	-2.0	-100.44	323.78	3.70	-96.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CC(C(=O)[O-])=C1Cl	REAL300000463361	0	34	-2.0	-107.37	328.75	3.48	-103.89
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1C(=O)[O-]	REAL300000463362	0	35	-2.0	-109.57	325.55	2.73	-106.84
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C(C)=C1CC(=O)[O-]	REAL300000463363	0	43	-2.0	-111.71	362.67	5.39	-106.32
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1C(=O)[O-]	REAL300000463364	0	34	-2.0	-104.28	331.29	3.58	-100.70
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C(C(=O)[O-])S1	REAL300000463365	0	40	-2.0	-105.09	347.40	4.62	-100.47
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1C(=O)[O-]	REAL300000463366	0	35	-2.0	-109.44	337.84	3.15	-106.29
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CC=C1C(=O)[O-]	REAL300000463367	0	34	-2.0	-99.63	317.57	3.16	-96.47
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C([N+](=O)[O-])=C1	REAL300000463368	0	36	-2.0	-101.02	340.77	4.71	-96.31
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2	REAL300000463369	0	34	-2.0	-106.80	317.05	3.35	-103.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1[N+](=O)[O-]	REAL300000463370	0	33	-2.0	-118.67	321.26	4.36	-114.31
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1F	REAL300000463371	0	31	-2.0	-115.38	301.16	2.54	-112.84
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C1C(=O)[O-]	REAL300000463372	0	34	-2.0	-102.59	322.48	3.20	-99.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=CC2=CC=CC=C21	REAL300000463373	0	37	-2.0	-117.97	338.56	4.63	-113.34
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C1	REAL300000463374	0	30	-2.0	-107.48	293.73	0.64	-106.84
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(=O)N2	REAL300000463375	0	35	-2.0	-101.68	325.72	2.31	-99.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)=C(Cl)O1	REAL300000463376	0	28	-2.0	-97.70	297.62	1.50	-96.20
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OC(=O)N4)C=C2)CC1	REAL300000463377	0	38	-2.0	-104.51	342.12	4.36	-100.15
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OC(=O)N4)C=C2C1	REAL300000463378	0	38	-2.0	-108.48	341.60	4.38	-104.10
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(=O)N3)C=C(C(=O)[O-])O1	REAL300000463379	0	34	-2.0	-102.63	319.65	2.50	-100.13
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1C1=CC=C(F)C=C1F	REAL300000463380	0	38	-2.0	-110.55	362.02	7.83	-102.72
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1C1=CC=C(F)C=C1F	REAL300000463381	0	38	-2.0	-123.29	362.12	7.82	-115.47
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1C1=CC=C(F)C=C1F	REAL300000463382	0	35	-2.0	-117.28	355.32	6.85	-110.43
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1C1=CC=C(F)C=C1F	REAL300000463383	0	39	-2.0	-122.92	368.66	7.18	-115.74
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1C1=CC=C(F)C=C1F	REAL300000463384	0	35	-2.0	-120.10	353.67	6.86	-113.24
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1C1=CC=C(F)C=C1F	REAL300000463385	0	38	-2.0	-116.83	365.15	6.97	-109.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1C1=CC=C(F)C=C1F	REAL300000463386	0	35	-2.0	-112.65	354.40	6.95	-105.70
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1C1=CC=C(F)C=C1F	REAL300000463387	0	37	-2.0	-121.36	358.34	5.95	-115.41
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)=C1	REAL300000463394	0	38	-2.0	-103.98	354.69	6.15	-97.83
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)=C1	REAL300000463396	0	35	-2.0	-100.97	342.40	5.10	-95.87
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)C=C1C(=O)[O-]	REAL300000463398	1	39	-2.0	-106.06	355.92	5.40	-100.66
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)=C1	REAL300000463399	0	38	-2.0	-98.56	358.39	5.72	-92.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)=CS1	REAL300000463401	1	35	-2.0	-103.38	340.92	5.08	-98.30
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000463403	0	38	-2.0	-101.67	352.32	5.18	-96.49
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000463404	1	38	-2.0	-104.40	357.82	5.98	-98.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)C=C1F	REAL300000463405	1	38	-2.0	-95.20	353.81	6.09	-89.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)S1	REAL300000463406	0	35	-2.0	-97.39	341.53	5.17	-92.22
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)=C1	REAL300000463407	1	38	-2.0	-98.50	355.67	6.11	-92.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)C(F)=C1	REAL300000463408	0	38	-2.0	-95.04	354.74	6.12	-88.92
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)=C1	REAL300000463409	0	39	-2.0	-106.98	358.93	3.80	-103.18
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3=CC=CN=C3)C=C2)=C1	REAL300000463409	1	39	-2.0	-104.63	358.01	4.69	-99.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)C=C1C(=O)[O-]	REAL300000463416	1	42	-2.0	-107.30	377.29	6.27	-101.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)=C1F	REAL300000463418	0	38	-2.0	-112.52	352.93	6.08	-106.44
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)=C1	REAL300000463419	0	37	-2.0	-104.63	345.43	4.20	-100.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)=C(Cl)O1	REAL300000463420	0	35	-2.0	-95.67	349.42	5.03	-90.64
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000463421	0	41	-2.0	-100.91	371.34	6.08	-94.83
COC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000463433	1	32	-2.0	-100.23	324.40	4.64	-95.59
COC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C	REAL300000463438	1	35	-2.0	-96.45	340.35	5.29	-91.16
COC1=CC(Cl)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000463445	0	38	-2.0	-107.46	359.01	6.11	-101.35
COC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000463455	1	32	-2.0	-95.30	323.47	4.74	-90.56
COC1=CC(Cl)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C	REAL300000463461	0	36	-2.0	-104.50	338.47	4.15	-100.35
COC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000463467	1	35	-2.0	-94.76	342.94	5.74	-89.02
COC1=CC(Cl)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000463478	1	34	-2.0	-102.76	328.19	3.66	-99.10
COC1=CC(Cl)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000463480	1	32	-2.0	-93.94	331.31	4.57	-89.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=CC=C1F	REAL300000463484	1	37	-2.0	-104.02	336.06	2.10	-101.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463486	1	37	-2.0	-106.58	331.53	2.06	-104.52
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(O)COC2)C=C1	REAL300000463487	0	41	-2.0	-112.03	359.67	1.86	-110.17
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C=C1	REAL300000463488	1	41	-2.0	-93.78	363.00	3.37	-90.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1C	REAL300000463490	1	43	-2.0	-109.52	364.19	3.43	-106.09
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463491	0	37	-2.0	-103.75	337.01	2.12	-101.63
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C=C1	REAL300000463492	1	43	-2.0	-93.24	375.11	3.65	-89.59
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463493	0	34	-2.0	-100.92	324.72	1.09	-99.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(O)COC2)C=C1	REAL300000463494	1	40	-2.0	-107.42	346.96	2.85	-104.57
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C=C1C(=O)[O-]	REAL300000463496	1	38	-2.0	-104.96	338.18	1.42	-103.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463498	0	37	-2.0	-97.10	340.65	1.75	-95.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=CS1	REAL300000463500	0	34	-2.0	-102.38	323.18	1.10	-101.28
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(O)COC2)C=C1	REAL300000463502	1	46	-2.0	-109.62	385.43	4.07	-105.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(O)COC2)C=C1	REAL300000463503	1	43	-2.0	-105.82	361.65	3.79	-102.03
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(O)COC2)C=C1	REAL300000463504	0	44	-2.0	-112.63	381.96	2.63	-110.00
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463505	0	40	-2.0	-108.41	362.65	2.59	-105.82
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463505	1	39	-3.0	-181.64	359.93	2.64	-179.00
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463506	1	44	-2.0	-111.63	375.78	3.97	-107.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C=C(C(=O)[O-])O1	REAL300000463507	0	37	-2.0	-100.54	334.54	1.22	-99.32
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463508	0	41	-2.0	-108.02	360.45	1.16	-106.86
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(O)COC2)C=C1	REAL300000463510	1	40	-2.0	-97.98	352.23	2.89	-95.09
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C=C1F	REAL300000463511	1	41	-2.0	-92.00	368.83	2.41	-89.59
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C=C(C(=O)[O-])S1	REAL300000463513	1	37	-2.0	-103.73	341.22	1.96	-101.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C(Cl)=C1	REAL300000463514	0	37	-2.0	-91.88	344.58	2.63	-89.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C=C1F	REAL300000463515	1	37	-2.0	-93.79	336.06	2.11	-91.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)S1	REAL300000463516	0	34	-2.0	-95.91	323.80	1.19	-94.72
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463517	1	37	-2.0	-97.41	337.94	2.13	-95.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1F	REAL300000463518	0	40	-2.0	-105.22	357.30	2.77	-102.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C(F)=C1	REAL300000463519	0	37	-2.0	-93.66	336.99	2.14	-91.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C=C1Cl	REAL300000463520	1	37	-2.0	-91.88	344.03	2.47	-89.41
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(O)COC2)C=C1	REAL300000463521	1	40	-2.0	-99.66	360.97	3.26	-96.40
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463522	1	39	-2.0	-91.71	359.72	2.73	-88.98
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463523	0	38	-2.0	-106.32	341.24	-0.21	-106.53
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463523	1	38	-2.0	-104.68	340.45	0.57	-104.11
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C=C1	REAL300000463524	1	40	-2.0	-98.65	353.71	2.85	-95.80
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2(O)COC2)C=C1	REAL300000463525	1	40	-2.0	-104.07	345.35	2.81	-101.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000463526	1	40	-2.0	-105.62	356.36	2.72	-102.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000463529	0	39	-2.0	-105.06	358.10	3.16	-101.90
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463530	0	37	-2.0	-95.41	343.27	2.20	-93.21
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C=C1C(=O)[O-]	REAL300000463532	0	40	-2.0	-104.86	353.00	2.67	-102.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1Cl	REAL300000463533	0	40	-2.0	-103.92	363.27	3.21	-100.71
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463534	0	40	-2.0	-111.66	356.55	2.76	-108.90
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2(O)COC2)C=C1	REAL300000463537	1	40	-2.0	-96.26	357.79	3.25	-93.01
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000463538	1	40	-2.0	-104.39	362.75	3.04	-101.35
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C=C1C(=O)[O-]	REAL300000463539	1	41	-2.0	-106.30	359.54	2.28	-104.02
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C=C1C(=O)[O-]	REAL300000463540	1	40	-2.0	-100.04	361.41	3.03	-97.01
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1[N+](=O)[O-]	REAL300000463543	0	39	-2.0	-114.07	355.24	3.92	-110.15
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1F	REAL300000463544	0	37	-2.0	-110.90	335.19	2.11	-108.79
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C=C1C(=O)[O-]	REAL300000463545	1	40	-2.0	-98.30	352.70	2.63	-95.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=CC2=CC=CC=C21	REAL300000463546	1	43	-2.0	-115.00	372.57	4.19	-110.81
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C1	REAL300000463547	0	36	-2.0	-104.39	327.75	0.20	-104.19
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2(O)COC2)C=C1	REAL300000463548	0	41	-2.0	-98.51	359.73	1.87	-96.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)=C(Cl)O1	REAL300000463549	0	34	-2.0	-94.41	331.66	1.06	-93.35
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4(O)COC4)C=C3)C=C2)CC1	REAL300000463550	1	44	-2.0	-100.74	377.65	3.95	-96.79
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4(O)COC4)C=C3)C=C2C1	REAL300000463551	1	44	-2.0	-103.20	376.98	3.95	-99.25
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3(O)COC3)C=C2)C=C(C(=O)[O-])O1	REAL300000463552	0	40	-2.0	-99.85	353.02	2.12	-97.73
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000463553	0	32	-2.0	-101.50	312.15	4.50	-97.00
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1OC	REAL300000463554	0	40	-2.0	-103.07	367.24	5.56	-97.51
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000463555	0	32	-2.0	-91.76	307.59	4.48	-87.28
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000463556	0	32	-2.0	-103.82	307.62	4.47	-99.35
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1OC	REAL300000463557	0	36	-2.0	-109.42	335.76	4.27	-105.15
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000463558	0	36	-2.0	-91.64	339.07	5.76	-85.88
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000463559	0	35	-2.0	-104.89	323.64	5.00	-99.89
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000463560	0	32	-2.0	-99.82	320.69	5.04	-94.78
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000463561	0	32	-2.0	-99.86	320.12	4.86	-95.00
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000463562	0	38	-2.0	-107.23	340.29	5.81	-101.42
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000463563	0	32	-2.0	-101.28	313.08	4.53	-96.75
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000463564	0	38	-2.0	-90.97	351.20	6.04	-84.93
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000463565	0	29	-2.0	-98.44	300.81	3.48	-94.96
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000463566	0	35	-2.0	-105.15	323.05	5.25	-99.90
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000463567	0	36	-2.0	-90.31	338.68	4.75	-85.56
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000463568	0	33	-2.0	-102.21	314.27	3.81	-98.40
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000463569	0	36	-2.0	-105.89	331.40	3.31	-102.58
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000463570	0	32	-2.0	-94.50	316.73	4.15	-90.35
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000463571	0	38	-2.0	-106.33	339.07	5.79	-100.54
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000463572	0	29	-2.0	-99.80	299.27	3.50	-96.30
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2OC)C=C1C(=O)[O-]	REAL300000463573	0	36	-2.0	-109.71	334.91	4.54	-105.17
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000463574	0	42	-2.0	-108.84	362.85	7.10	-101.74
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000463575	0	41	-2.0	-107.33	361.52	6.48	-100.85
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1OC	REAL300000463576	0	38	-2.0	-103.61	337.74	6.20	-97.41
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C=C1OC	REAL300000463577	0	39	-2.0	-109.48	358.04	5.02	-104.46
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000463578	0	34	-3.0	-177.80	336.02	5.03	-172.77
COC1=CC(F)=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000463578	1	35	-2.0	-109.20	336.00	4.97	-104.23
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000463579	0	39	-2.0	-109.18	351.86	6.36	-102.82
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000463580	0	32	-2.0	-98.25	310.63	3.60	-94.65
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000463581	0	36	-2.0	-104.58	336.60	3.56	-101.02
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000463582	0	40	-2.0	-90.77	360.55	5.06	-85.71
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000463583	0	32	-2.0	-96.67	325.21	5.07	-91.60
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000463584	0	39	-2.0	-90.77	358.77	5.46	-85.31
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000463585	0	35	-2.0	-95.81	328.33	5.28	-90.53
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000463586	0	36	-2.0	-89.92	344.92	4.82	-85.10
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2OC)C=C1C(=O)[O-]	REAL300000463587	0	39	-2.0	-110.35	356.75	5.44	-104.91
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000463588	0	32	-2.0	-101.55	317.31	4.35	-97.20
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000463589	0	32	-2.0	-89.40	320.67	5.04	-84.36
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000463590	0	32	-2.0	-91.42	312.13	4.51	-86.91
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000463591	0	29	-2.0	-93.42	299.88	3.60	-89.82
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000463592	0	32	-2.0	-94.82	314.04	4.54	-90.28
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000463593	0	35	-2.0	-102.60	333.37	5.17	-97.43
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000463594	0	32	-2.0	-91.03	313.08	4.54	-86.49
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000463595	0	32	-2.0	-89.43	320.10	4.87	-84.56
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000463596	0	35	-2.0	-97.50	337.06	5.67	-91.83
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000463597	0	40	-2.0	-88.56	371.35	5.88	-82.68
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000463598	0	32	-2.0	-93.20	318.44	4.56	-88.64
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000463599	0	34	-2.0	-89.14	335.82	5.14	-84.00
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000463600	0	33	-2.0	-104.06	317.33	2.17	-101.89
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000463601	0	35	-2.0	-95.62	329.80	5.23	-90.39
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000463602	0	32	-2.0	-94.56	328.32	5.00	-89.56
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000463603	0	35	-2.0	-99.75	317.65	5.10	-94.65
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000463604	0	35	-2.0	-102.74	332.45	5.12	-97.62
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000463605	0	35	-2.0	-92.05	323.03	5.24	-86.81
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000463606	0	38	-2.0	-106.68	341.08	5.55	-101.13
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000463607	0	34	-2.0	-102.61	334.17	5.57	-97.04
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000463608	0	32	-2.0	-92.98	319.35	4.59	-88.39
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000463609	0	38	-2.0	-104.19	341.15	5.88	-98.31
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000463610	0	35	-2.0	-103.48	332.94	5.17	-98.31
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000463611	0	35	-2.0	-101.48	339.38	5.62	-95.86
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000463612	0	35	-2.0	-108.06	332.66	5.16	-102.90
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2OC)C=C1C(=O)[O-]	REAL300000463613	0	38	-2.0	-105.68	341.55	5.65	-100.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2OC)C=C1CC(=O)[O-]	REAL300000463614	0	39	-2.0	-105.92	358.09	4.60	-101.32
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000463615	0	35	-2.0	-93.22	333.88	5.65	-87.57
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000463616	0	35	-2.0	-101.48	338.84	5.43	-96.05
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2OC)C=C1C(=O)[O-]	REAL300000463617	0	36	-2.0	-103.50	335.57	4.67	-98.83
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000463618	0	44	-2.0	-103.71	372.77	7.33	-96.38
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000463619	0	35	-2.0	-97.17	337.48	5.43	-91.74
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000463620	0	35	-2.0	-91.89	323.63	5.01	-86.88
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000463621	0	35	-2.0	-102.96	327.15	5.30	-97.66
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000463622	0	34	-2.0	-110.57	331.35	6.32	-104.25
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000463623	0	32	-2.0	-107.37	311.25	4.49	-102.88
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000463624	0	35	-2.0	-95.54	328.78	5.04	-90.50
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000463625	0	38	-2.0	-111.94	348.66	6.59	-105.35
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000463626	0	31	-2.0	-101.38	304.59	2.53	-98.85
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000463627	0	36	-2.0	-95.83	335.82	4.26	-91.57
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000463628	0	29	-2.0	-92.17	307.72	3.43	-88.74
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000463629	0	39	-2.0	-98.46	353.74	6.35	-92.11
COC1=CC(F)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000463630	0	39	-2.0	-100.35	351.70	6.33	-94.02
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C=C2OC)C=C(C(=O)[O-])O1	REAL300000463631	0	35	-2.0	-98.17	329.74	4.45	-93.72
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000463632	1	35	-2.0	-113.83	342.21	7.40	-106.43
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000463633	1	35	-2.0	-104.82	337.67	7.37	-97.45
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000463634	0	35	-2.0	-116.18	337.68	7.36	-108.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC(C#N)=N1	REAL300000463635	0	39	-2.0	-119.21	365.83	7.17	-112.04
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000463636	0	39	-2.0	-102.31	369.13	8.67	-93.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)C=C1C(=O)[O-]	REAL300000463637	1	38	-2.0	-117.28	353.71	7.90	-109.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)=C1C	REAL300000463638	0	41	-2.0	-116.91	370.09	8.67	-108.24
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000463639	0	35	-2.0	-112.21	343.15	7.42	-104.79
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000463640	0	41	-2.0	-101.10	381.25	8.95	-92.15
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000463641	0	32	-2.0	-111.31	330.87	6.39	-104.92
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC(C#N)=N1	REAL300000463642	0	38	-2.0	-114.93	353.14	8.14	-106.79
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000463643	1	39	-2.0	-101.14	368.75	7.65	-93.49
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)C=C1C(=O)[O-]	REAL300000463644	0	36	-2.0	-114.92	344.33	6.73	-108.19
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC(C#N)=N1	REAL300000463645	1	39	-2.0	-115.28	361.48	6.20	-109.08
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)=C1	REAL300000463646	0	35	-2.0	-107.90	346.77	7.06	-100.84
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)C=C1C(=O)[O-]	REAL300000463647	1	41	-2.0	-116.08	369.14	8.68	-107.40
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000463648	0	32	-2.0	-112.22	329.33	6.41	-105.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)C=C1C(=O)[O-]	REAL300000463649	1	39	-2.0	-122.01	364.97	7.44	-114.57
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC(C#N)=N1	REAL300000463650	0	41	-2.0	-112.68	362.69	9.21	-103.47
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)C=C(C(=O)[O-])O1	REAL300000463651	0	35	-2.0	-110.19	340.67	6.51	-103.68
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)=C1	REAL300000463652	0	39	-2.0	-118.58	366.60	6.46	-112.12
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)C=C(C(=O)[O-])S1	REAL300000463653	0	35	-2.0	-112.08	347.37	7.25	-104.83
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000463654	0	35	-2.0	-104.51	342.22	7.41	-97.10
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000463655	0	32	-2.0	-106.69	329.94	6.50	-100.19
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000463656	0	35	-2.0	-107.60	344.10	7.43	-100.17
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000463657	0	35	-2.0	-104.37	343.15	7.44	-96.93
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000463658	0	36	-2.0	-113.32	347.40	5.08	-108.24
N#CC1=NN(C2=CC=CC=C2NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=N1	REAL300000463658	1	36	-2.0	-115.87	341.29	5.96	-109.91
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000463659	0	38	-2.0	-105.92	359.85	8.15	-97.77
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC(C#N)=N1	REAL300000463660	1	38	-2.0	-113.67	347.72	8.00	-105.67
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC(C#N)=N1	REAL300000463661	1	38	-2.0	-104.51	353.09	8.13	-96.38
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)=CC(C(=O)[O-])=C1C	REAL300000463662	1	41	-2.0	-120.78	375.18	8.56	-112.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)C(C)=C1C(=O)[O-]	REAL300000463663	1	41	-2.0	-118.62	371.20	8.78	-109.84
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)C=C1C(=O)[O-]	REAL300000463664	1	41	-2.0	-117.95	372.02	8.56	-109.39
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)C=C1C(=O)[O-]	REAL300000463665	0	39	-2.0	-116.33	365.70	7.59	-108.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)=CC=C1C(=O)[O-]	REAL300000463666	1	38	-2.0	-104.97	353.67	7.92	-97.05
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000463667	0	35	-2.0	-121.65	341.32	7.40	-114.25
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000463668	0	34	-2.0	-110.72	334.67	5.42	-105.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1C=NC(C#N)=N1	REAL300000463669	0	39	-2.0	-108.13	365.89	7.17	-100.96
N#CC1=NN(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000463670	0	32	-2.0	-104.85	337.79	6.35	-98.50
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2C=NC(C#N)=N2)C=C(C(=O)[O-])O1	REAL300000463671	0	38	-2.0	-109.46	355.43	7.49	-101.97
CC(OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(F)(F)F	REAL300000463672	0	38	-2.0	-100.19	352.66	6.30	-93.89
CC(OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(F)(F)F	REAL300000463673	0	38	-2.0	-113.27	352.69	6.29	-106.98
CC(OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(F)(F)F	REAL300000463674	0	35	-2.0	-107.50	345.87	5.31	-102.19
CC(OC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)C(F)(F)F	REAL300000463675	0	39	-2.0	-111.55	359.33	5.64	-105.91
CC(OC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(F)(F)F	REAL300000463676	0	35	-2.0	-108.78	344.34	5.33	-103.45
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(C)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300000463677	0	38	-2.0	-105.90	355.67	5.43	-100.47
CC(OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(F)(F)F	REAL300000463678	0	35	-2.0	-102.24	344.93	5.42	-96.82
CC(OC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(F)(F)F	REAL300000463679	0	37	-2.0	-110.62	348.89	4.41	-106.21
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000463680	1	36	-2.0	-107.43	339.96	7.22	-100.21
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000463681	1	36	-2.0	-97.20	335.42	7.20	-90.00
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000463682	1	36	-2.0	-109.88	335.43	7.19	-102.69
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000463683	0	40	-2.0	-116.92	363.55	6.99	-109.93
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000463684	1	40	-2.0	-96.86	366.87	8.49	-88.37
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000463685	1	39	-2.0	-111.06	351.45	7.73	-103.33
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000463686	0	36	-2.0	-106.62	348.50	7.74	-98.88
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000463687	1	36	-2.0	-105.98	347.93	7.59	-98.39
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000463688	1	42	-2.0	-114.72	368.09	8.55	-106.17
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000463689	0	36	-2.0	-108.60	340.89	7.26	-101.34
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000463690	1	42	-2.0	-96.45	379.01	8.77	-87.68
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000463691	0	33	-2.0	-104.16	328.61	6.21	-97.95
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000463692	1	39	-2.0	-112.53	350.86	7.98	-104.55
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000463693	1	40	-2.0	-95.46	366.49	7.48	-87.98
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000463694	0	37	-2.0	-107.97	342.07	6.54	-101.43
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000463695	1	40	-2.0	-113.26	359.20	6.02	-107.24
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000463696	0	36	-2.0	-100.39	344.53	6.88	-93.51
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000463697	1	42	-2.0	-113.86	366.88	8.51	-105.35
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000463698	0	33	-2.0	-105.82	327.07	6.23	-99.59
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000463699	1	40	-2.0	-116.01	362.70	7.26	-108.75
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000463700	1	45	-2.0	-114.58	387.53	9.13	-105.45
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000463701	1	42	-2.0	-110.79	355.92	8.59	-102.20
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CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000463727	1	42	-2.0	-113.00	368.30	8.26	-104.74
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000463728	0	38	-2.0	-108.22	361.98	8.28	-99.94
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000463729	0	36	-2.0	-99.71	347.15	7.32	-92.39
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CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000463740	1	39	-2.0	-97.36	351.43	7.74	-89.62
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000463741	1	39	-2.0	-109.91	354.96	8.03	-101.88
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000463742	0	38	-2.0	-115.05	356.06	8.94	-106.11
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000463743	0	36	-2.0	-112.61	339.08	7.23	-105.38
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000463744	1	39	-2.0	-101.51	356.59	7.76	-93.75
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000463745	0	35	-2.0	-109.30	332.41	5.25	-104.05
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000463746	0	40	-2.0	-101.45	363.63	6.99	-94.46
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000463747	0	33	-2.0	-98.17	335.51	6.18	-91.99
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000463748	1	43	-2.0	-104.51	381.55	9.07	-95.44
CCC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000463749	1	43	-2.0	-105.04	379.51	9.05	-95.99
CCC1=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2CC)C=C(C(=O)[O-])O1	REAL300000463750	0	39	-2.0	-104.64	353.07	7.05	-97.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Br)=C2)C=C1	REAL300000463756	1	28	-2.0	-87.66	303.68	6.15	-81.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Br)=C2)=C1	REAL300000463757	1	28	-2.0	-99.69	303.70	6.14	-93.55
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Br)=C2)=C1	REAL300000463758	0	25	-2.0	-94.08	296.88	5.15	-88.93
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000463759	0	29	-2.0	-98.01	310.35	5.50	-92.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Br)=C2)=CS1	REAL300000463760	0	25	-2.0	-95.47	295.35	5.17	-90.30
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Br)=C2)C=C(C(=O)[O-])O1	REAL300000463761	0	28	-2.0	-94.12	306.71	5.29	-88.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Br)=C2)S1	REAL300000463762	0	25	-2.0	-89.28	295.97	5.27	-84.01
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Br)=C2)=C1	REAL300000463763	0	27	-2.0	-97.30	299.92	4.27	-93.03
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000463764	1	43	-2.0	-118.10	386.40	4.48	-113.62
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000463765	1	43	-2.0	-104.39	381.85	4.44	-99.95
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000463766	0	43	-2.0	-121.10	381.87	4.44	-116.66
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000463767	1	46	-2.0	-122.28	389.61	5.23	-117.05
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000463768	0	43	-2.0	-117.46	387.35	4.51	-112.95
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000463769	0	40	-2.0	-113.94	375.06	3.46	-110.48
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000463770	0	46	-2.0	-122.08	397.31	5.22	-116.86
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000463771	0	44	-2.0	-118.24	388.50	3.79	-114.45
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000463772	0	43	-2.0	-106.60	390.98	4.13	-102.47
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000463773	0	40	-2.0	-115.75	373.52	3.48	-112.27
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000463774	0	43	-2.0	-113.47	384.87	3.58	-109.89
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000463775	0	43	-2.0	-118.85	391.42	4.29	-114.56
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000463776	0	43	-2.0	-104.18	386.37	4.47	-99.71
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000463777	0	40	-2.0	-105.51	374.13	3.57	-101.94
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000463778	0	43	-2.0	-106.51	388.25	4.51	-102.00
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000463779	0	43	-2.0	-103.32	387.31	4.52	-98.80
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000463780	0	44	-2.0	-120.79	391.58	2.16	-118.63
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000463781	0	46	-2.0	-108.00	404.04	5.21	-102.79
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000463782	0	46	-2.0	-116.67	383.65	5.34	-111.33
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000463783	1	46	-2.0	-105.18	397.27	5.20	-99.98
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000463784	0	47	-2.0	-119.61	409.89	4.66	-114.95
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000463785	1	46	-2.0	-109.50	389.60	5.24	-104.26
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000463786	0	43	-2.0	-118.05	385.51	4.47	-113.58
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000463787	0	42	-2.0	-115.28	377.93	2.52	-112.76
CCNC(=O)NC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000463788	0	46	-2.0	-118.90	398.84	4.52	-114.38
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1	REAL300000463789	0	36	-2.0	-80.86	345.42	0.91	-79.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CC=C1F	REAL300000463790	0	29	-2.0	-97.03	293.48	2.35	-94.68
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1O	REAL300000463791	0	37	-2.0	-97.13	348.56	3.41	-93.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1	REAL300000463792	0	29	-2.0	-86.74	288.93	2.33	-84.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463793	0	29	-2.0	-98.92	288.95	2.32	-96.60
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1O	REAL300000463794	0	33	-2.0	-103.04	317.09	2.12	-100.92
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1	REAL300000463795	0	33	-2.0	-86.54	320.41	3.62	-82.92
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1C(=O)[O-]	REAL300000463796	0	32	-2.0	-99.74	304.97	2.86	-96.88
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463797	0	29	-2.0	-94.14	302.01	2.90	-91.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CC=C1Cl	REAL300000463798	0	29	-2.0	-95.06	301.45	2.71	-92.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C(Cl)C=C1Cl	REAL300000463799	0	29	-2.0	-90.06	314.51	3.28	-86.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1C	REAL300000463800	0	35	-2.0	-101.38	321.61	3.67	-97.71
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463801	0	29	-2.0	-95.19	294.42	2.39	-92.80
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1	REAL300000463802	0	35	-2.0	-85.57	332.52	3.89	-81.68
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463803	0	26	-2.0	-93.40	282.13	1.34	-92.06
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1O	REAL300000463804	0	32	-2.0	-99.40	304.38	3.10	-96.30
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1	REAL300000463805	0	33	-2.0	-85.34	320.03	2.60	-82.74
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1C(=O)[O-]	REAL300000463806	0	30	-2.0	-97.20	295.58	1.67	-95.53
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1O	REAL300000463807	0	33	-2.0	-100.12	312.73	1.16	-98.96
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463808	0	29	-2.0	-88.81	298.05	2.01	-86.80
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1C(=O)[O-]	REAL300000463809	0	35	-2.0	-100.48	320.40	3.64	-96.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CS1	REAL300000463810	0	26	-2.0	-94.85	280.59	1.35	-93.50
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CC(C(=O)[O-])=C1OC	REAL300000463811	0	37	-2.0	-97.79	347.27	2.13	-95.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1C(=O)[O-]	REAL300000463812	0	33	-2.0	-102.88	316.24	2.39	-100.49
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463813	0	39	-2.0	-102.68	344.18	4.95	-97.73
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1O	REAL300000463814	0	38	-2.0	-101.18	342.85	4.33	-96.85
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1O	REAL300000463815	0	35	-2.0	-98.02	319.07	4.05	-93.97
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1O	REAL300000463816	0	36	-2.0	-103.81	339.38	2.88	-100.93
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463817	0	31	-3.0	-171.05	317.35	2.89	-168.16
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C(F)=C2O)=C1	REAL300000463817	1	32	-2.0	-103.89	317.35	2.84	-101.05
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463818	0	36	-2.0	-101.16	333.19	4.22	-96.94
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C(C(=O)[O-])O1	REAL300000463819	0	29	-2.0	-93.27	291.95	1.46	-91.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CC2=C1OCCO2	REAL300000463820	0	35	-2.0	-101.96	331.12	2.10	-99.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463821	0	33	-2.0	-98.43	317.93	1.41	-97.02
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3O)C=C2C1	REAL300000463822	0	37	-2.0	-84.98	341.87	2.92	-82.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CC(Cl)=C1Cl	REAL300000463823	0	29	-2.0	-87.52	316.62	3.17	-84.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C(Cl)C=C1F	REAL300000463824	0	29	-2.0	-91.45	306.54	2.91	-88.54
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1Cl	REAL300000463825	0	33	-2.0	-84.03	336.05	3.15	-80.88
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CC=C1OCC(=O)[O-]	REAL300000463826	0	36	-2.0	-85.76	340.10	3.31	-82.45
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1O	REAL300000463827	0	32	-2.0	-90.51	309.65	3.14	-87.37
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1F	REAL300000463828	0	33	-2.0	-85.08	326.25	2.67	-82.41
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1C(=O)[O-]	REAL300000463829	0	36	-2.0	-103.51	338.10	3.30	-100.21
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C(C(=O)[O-])S1	REAL300000463830	0	29	-2.0	-96.23	298.64	2.21	-94.02
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463831	0	29	-2.0	-88.21	317.17	3.34	-84.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C(Cl)=C1	REAL300000463832	0	29	-2.0	-84.52	301.99	2.89	-81.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1F	REAL300000463833	0	29	-2.0	-86.50	293.46	2.36	-84.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)S1	REAL300000463834	0	26	-2.0	-87.86	281.20	1.45	-86.41
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463835	0	29	-2.0	-88.80	295.36	2.39	-86.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1F	REAL300000463836	0	32	-2.0	-95.29	314.69	3.02	-92.27
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000463837	0	33	-2.0	-89.05	329.25	2.95	-86.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C(F)=C1	REAL300000463838	0	29	-2.0	-86.11	294.41	2.39	-83.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1Cl	REAL300000463839	0	29	-2.0	-84.41	301.43	2.72	-81.69
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1O	REAL300000463840	0	32	-2.0	-92.05	318.39	3.52	-88.53
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1	REAL300000463841	0	37	-2.0	-83.67	352.70	3.73	-79.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CC(F)=C1F	REAL300000463842	0	29	-2.0	-87.57	299.76	2.42	-85.15
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463843	0	31	-2.0	-83.39	317.14	2.99	-80.40
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463844	0	30	-2.0	-98.08	298.66	0.04	-98.04
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1	REAL300000463845	0	32	-2.0	-89.44	311.13	3.09	-86.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CC(Cl)=C1F	REAL300000463846	0	29	-2.0	-88.77	309.65	2.85	-85.92
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1O	REAL300000463847	0	32	-2.0	-93.91	298.98	2.95	-90.96
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CC(C(=O)[O-])=C1F	REAL300000463848	0	32	-2.0	-98.04	313.78	2.97	-95.07
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1O	REAL300000463849	0	32	-2.0	-87.23	304.36	3.09	-84.14
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CC(C(=O)[O-])=C1C	REAL300000463850	0	35	-2.0	-101.35	322.41	3.41	-97.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CC=C1[N+](=O)[O-]	REAL300000463851	0	31	-2.0	-98.57	315.50	3.42	-95.15
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463852	0	29	-2.0	-87.25	300.68	2.45	-84.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C(C)=C1C(=O)[O-]	REAL300000463853	0	35	-2.0	-98.35	322.47	3.74	-94.61
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1C(=O)[O-]	REAL300000463854	0	32	-2.0	-95.90	310.42	2.92	-92.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1Cl	REAL300000463855	0	32	-2.0	-94.33	320.72	3.46	-90.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463856	0	32	-2.0	-103.72	313.98	3.01	-100.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1C(=O)[O-]	REAL300000463857	0	35	-2.0	-98.52	323.27	3.51	-95.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1CC(=O)[O-]	REAL300000463858	0	36	-2.0	-98.88	339.42	2.45	-96.43
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1O	REAL300000463859	0	32	-2.0	-87.61	315.21	3.51	-84.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1C(F)(F)F	REAL300000463860	0	32	-2.0	-83.47	319.05	3.14	-80.33
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000463861	0	32	-2.0	-96.56	320.17	3.28	-93.28
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1C(=O)[O-]	REAL300000463862	0	33	-2.0	-98.40	316.96	2.53	-95.87
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C(C)=C1CC(=O)[O-]	REAL300000463863	0	41	-2.0	-97.79	354.09	5.18	-92.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C(F)C(Cl)=C1F	REAL300000463864	0	29	-2.0	-86.49	314.56	2.88	-83.61
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1C(=O)[O-]	REAL300000463865	0	32	-2.0	-90.62	318.81	3.29	-87.33
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C(C(=O)[O-])S1	REAL300000463866	0	38	-2.0	-96.45	338.38	4.46	-91.99
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1C(=O)[O-]	REAL300000463867	0	33	-2.0	-99.51	329.27	2.96	-96.55
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CC=C1C(=O)[O-]	REAL300000463868	0	32	-2.0	-86.79	304.95	2.87	-83.92
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C([N+](=O)[O-])=C1	REAL300000463869	0	34	-2.0	-90.94	332.20	4.51	-86.43
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1O	REAL300000463870	0	32	-2.0	-97.69	308.48	3.15	-94.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1[N+](=O)[O-]	REAL300000463871	0	31	-2.0	-103.77	312.67	4.17	-99.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1F	REAL300000463872	0	29	-2.0	-101.27	292.57	2.35	-98.92
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C1C(=O)[O-]	REAL300000463873	0	32	-2.0	-89.15	310.11	2.89	-86.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=CC2=CC=CC=C21	REAL300000463874	0	35	-2.0	-104.77	329.99	4.44	-100.33
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C1	REAL300000463875	0	28	-2.0	-94.75	285.92	0.39	-94.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1O	REAL300000463876	0	33	-2.0	-90.22	317.15	2.12	-88.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)=C(Cl)O1	REAL300000463877	0	26	-2.0	-87.08	289.05	1.30	-85.78
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3O)C=C2)CC1	REAL300000463878	0	36	-2.0	-92.21	335.07	4.20	-88.01
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3O)C=C2C1	REAL300000463879	0	36	-2.0	-96.09	333.03	4.18	-91.91
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2O)C=C(C(=O)[O-])O1	REAL300000463880	0	32	-2.0	-93.06	311.06	2.31	-90.75
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CCCO)C2=CC=C(F)C(F)=C2)=C1	REAL300000463902	0	39	-2.0	-103.86	359.87	3.47	-100.39
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1	REAL300000463915	0	38	-2.0	-84.88	354.37	3.34	-81.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC=C1F	REAL300000463916	0	31	-2.0	-100.21	302.44	4.79	-95.42
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1	REAL300000463917	0	39	-2.0	-102.11	357.52	5.87	-96.24
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463918	0	31	-2.0	-98.08	314.31	5.48	-92.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1	REAL300000463919	0	31	-2.0	-90.52	297.89	4.77	-85.75
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463920	0	31	-2.0	-102.62	297.90	4.76	-97.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1	REAL300000463921	0	35	-2.0	-108.26	326.04	4.59	-103.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC=C1Br	REAL300000463922	0	31	-2.0	-98.08	314.15	5.25	-92.83
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1	REAL300000463923	0	35	-2.0	-90.66	329.36	6.06	-84.60
CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1C(=O)[O-]	REAL300000463924	0	34	-2.0	-103.47	313.92	5.29	-98.18
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463925	0	31	-2.0	-98.56	310.96	5.34	-93.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC=C1Cl	REAL300000463926	0	31	-2.0	-98.53	310.42	5.15	-93.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C(Cl)C=C1Cl	REAL300000463927	0	31	-2.0	-94.38	323.46	5.71	-88.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1C	REAL300000463928	0	37	-2.0	-106.10	330.57	6.12	-99.98
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463929	0	31	-2.0	-99.96	303.37	4.83	-95.13
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1	REAL300000463930	0	37	-2.0	-89.97	341.48	6.36	-83.61
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463931	0	28	-2.0	-97.04	291.08	3.79	-93.25
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1	REAL300000463932	0	34	-2.0	-103.96	313.33	5.56	-98.40
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1	REAL300000463933	0	35	-2.0	-89.31	328.98	5.05	-84.26
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=C(C4CC4)ON=C3)C=C2)C1	REAL300000463934	0	42	-2.0	-85.89	374.74	5.82	-80.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C(Br)S1	REAL300000463935	0	28	-2.0	-94.39	308.08	4.55	-89.84
CN1C=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1C(=O)[O-]	REAL300000463936	0	32	-2.0	-101.02	304.55	4.11	-96.91
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1	REAL300000463937	0	35	-2.0	-104.50	322.10	3.58	-100.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463938	0	31	-2.0	-93.06	307.01	4.45	-88.61
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1C(=O)[O-]	REAL300000463939	0	37	-2.0	-105.18	329.35	6.08	-99.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CS1	REAL300000463940	0	28	-2.0	-98.54	289.56	3.79	-94.75
COC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC(C(=O)[O-])=C1OC	REAL300000463941	0	39	-2.0	-102.98	356.23	4.56	-98.42
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1C(=O)[O-]	REAL300000463942	0	35	-2.0	-108.54	325.19	4.82	-103.72
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463943	0	41	-2.0	-107.64	353.13	7.40	-100.24
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1	REAL300000463944	0	40	-2.0	-106.10	351.79	6.78	-99.32
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1	REAL300000463945	0	37	-2.0	-102.59	328.03	6.48	-96.11
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1	REAL300000463946	0	38	-2.0	-108.38	348.32	5.33	-103.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC(C(=O)[O-])=C1	REAL300000463947	0	33	-3.0	-175.45	326.30	5.33	-170.12
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463948	0	38	-2.0	-107.96	342.17	6.66	-101.30
CC1=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C(C(=O)[O-])O1	REAL300000463949	0	31	-2.0	-97.03	300.90	3.91	-93.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC2=C1OCCO2	REAL300000463950	0	37	-2.0	-107.18	340.08	4.53	-102.65
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463951	0	35	-2.0	-102.77	326.82	3.88	-98.89
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=C(C4CC4)ON=C3)C=C2C1	REAL300000463952	0	39	-2.0	-90.48	351.54	5.39	-85.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC(Cl)=C1Cl	REAL300000463953	0	31	-2.0	-92.41	325.58	5.61	-86.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C(Cl)C=C1F	REAL300000463954	0	31	-2.0	-95.55	315.49	5.36	-90.19
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1Cl	REAL300000463955	0	35	-2.0	-87.89	345.00	5.58	-82.31
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC=C1OCC(=O)[O-]	REAL300000463956	0	38	-2.0	-89.73	349.06	5.75	-83.98
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1F	REAL300000463957	0	41	-2.0	-89.08	377.64	6.01	-83.07
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1	REAL300000463958	0	34	-2.0	-94.68	318.61	5.58	-89.10
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC=C1OCCCC(=O)[O-]	REAL300000463959	0	44	-2.0	-90.11	391.51	6.68	-83.43
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1F	REAL300000463960	0	35	-2.0	-88.96	335.19	5.10	-83.86
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1C(=O)[O-]	REAL300000463961	0	38	-2.0	-109.04	347.03	5.73	-103.31
CC1=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C(C(=O)[O-])S1	REAL300000463962	0	31	-2.0	-100.35	307.59	4.66	-95.69
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463963	0	31	-2.0	-92.45	326.12	5.78	-86.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C(Cl)=C1	REAL300000463964	0	31	-2.0	-88.11	310.94	5.33	-82.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C(Br)=C1	REAL300000463965	0	31	-2.0	-87.73	314.29	5.47	-82.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1F	REAL300000463966	0	31	-2.0	-90.11	302.41	4.79	-85.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)S1	REAL300000463967	0	28	-2.0	-91.99	290.15	3.89	-88.10
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463968	0	31	-2.0	-93.50	304.30	4.82	-88.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1F	REAL300000463969	0	34	-2.0	-101.24	323.66	5.47	-95.77
COC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000463970	0	35	-2.0	-92.74	338.20	5.39	-87.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C(F)=C1	REAL300000463971	0	31	-2.0	-89.60	303.36	4.84	-84.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1Cl	REAL300000463972	0	31	-2.0	-88.12	310.39	5.16	-82.96
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1	REAL300000463973	0	34	-2.0	-96.37	327.34	5.97	-90.40
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1	REAL300000463974	0	39	-2.0	-87.64	361.64	6.18	-81.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1Br	REAL300000463975	0	31	-2.0	-87.68	314.12	5.25	-82.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC(F)=C1F	REAL300000463976	0	31	-2.0	-92.03	308.73	4.85	-87.18
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463977	0	33	-2.0	-87.85	326.09	5.42	-82.43
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463978	0	31	-3.0	-195.04	304.04	3.38	-191.66
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463978	1	32	-2.0	-102.99	307.61	2.49	-100.50
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1	REAL300000463979	0	34	-2.0	-94.34	320.08	5.55	-88.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC(Cl)=C1F	REAL300000463980	0	31	-2.0	-93.40	318.61	5.30	-88.10
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1	REAL300000463981	0	34	-2.0	-98.23	307.97	5.39	-92.84
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC(C(=O)[O-])=C1F	REAL300000463982	0	34	-2.0	-101.57	322.74	5.41	-96.16
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1	REAL300000463983	0	34	-2.0	-90.86	313.31	5.54	-85.32
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC(C(=O)[O-])=C1C	REAL300000463984	0	37	-2.0	-106.70	334.72	5.92	-100.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC=C1[N+](=O)[O-]	REAL300000463985	0	33	-2.0	-101.31	324.46	5.86	-95.45
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463986	0	31	-2.0	-91.64	309.63	4.89	-86.75
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)S1	REAL300000463987	0	28	-2.0	-89.69	310.48	4.44	-85.25
CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C(C)=C1C(=O)[O-]	REAL300000463988	0	37	-2.0	-102.33	332.38	6.15	-96.18
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1C(=O)[O-]	REAL300000463989	0	34	-2.0	-102.12	323.21	5.46	-96.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1Cl	REAL300000463990	0	34	-2.0	-100.35	329.66	5.90	-94.45
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463991	0	34	-2.0	-106.46	322.93	5.46	-101.00
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1C(=O)[O-]	REAL300000463992	0	37	-2.0	-104.35	331.84	5.95	-98.40
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1CC(=O)[O-]	REAL300000463993	0	38	-2.0	-104.65	348.36	4.89	-99.76
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1	REAL300000463994	0	34	-2.0	-91.80	324.16	5.94	-85.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1C(F)(F)F	REAL300000463995	0	34	-2.0	-87.13	328.01	5.57	-81.56
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC(C(=O)[O-])=C1Cl	REAL300000463996	0	34	-2.0	-100.26	329.13	5.71	-94.55
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000463997	0	31	-2.0	-95.31	319.19	5.37	-89.94
CCN1C=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1C(=O)[O-]	REAL300000463998	0	35	-2.0	-102.19	325.93	4.99	-97.20
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C(C)=C1CC(=O)[O-]	REAL300000463999	0	43	-2.0	-102.33	363.05	7.63	-94.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C(F)C(Cl)=C1F	REAL300000464000	0	31	-2.0	-90.57	323.50	5.32	-85.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C(OC(F)(F)F)=C1	REAL300000464001	0	35	-2.0	-89.45	342.59	5.08	-84.37
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1C(=O)[O-]	REAL300000464002	0	34	-2.0	-95.92	327.77	5.72	-90.20
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C(C(=O)[O-])S1	REAL300000464003	0	40	-2.0	-100.38	347.33	6.88	-93.50
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1C(=O)[O-]	REAL300000464004	0	35	-2.0	-104.27	338.22	5.39	-98.88
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC=C1C(=O)[O-]	REAL300000464005	0	34	-2.0	-90.56	313.91	5.30	-85.26
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C([N+](=O)[O-])=C1	REAL300000464006	0	36	-2.0	-94.78	341.16	6.96	-87.82
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1	REAL300000464007	0	34	-2.0	-101.91	317.43	5.62	-96.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1[N+](=O)[O-]	REAL300000464008	0	33	-2.0	-108.83	321.64	6.64	-102.19
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1F	REAL300000464009	0	31	-2.0	-105.83	301.56	4.80	-101.03
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C1C(=O)[O-]	REAL300000464010	0	34	-2.0	-94.26	319.07	5.33	-88.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC2=CC=CC=C21	REAL300000464011	0	37	-2.0	-110.50	338.94	6.88	-103.62
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000464012	0	30	-2.0	-100.02	294.13	2.89	-97.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)ON=C1	REAL300000464013	0	35	-2.0	-94.59	326.10	4.58	-90.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C(Cl)O1	REAL300000464014	0	28	-2.0	-90.82	298.00	3.75	-87.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=CC=C1OC(F)(F)F	REAL300000464015	0	35	-2.0	-98.08	341.68	5.31	-92.77
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)=C1	REAL300000464016	0	34	-2.0	-93.43	341.24	1.80	-91.63
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C(C4CC4)ON=C3)C=C2)CC1	REAL300000464017	0	38	-2.0	-97.20	344.02	6.65	-90.55
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C(C4CC4)ON=C3)C=C2C1	REAL300000464018	0	38	-2.0	-99.65	343.34	6.65	-93.00
CCC1=C(S(=O)(=O)[N-]C2=C(C3CC3)ON=C2)C=C(C(=O)[O-])O1	REAL300000464019	0	34	-2.0	-96.97	320.02	4.76	-92.21
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464020	0	39	-2.0	-106.05	350.80	4.74	-101.31
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464021	0	36	-2.0	-106.68	336.15	3.96	-102.72
NC1=C([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464022	1	35	-2.0	-102.06	317.28	3.16	-98.90
NC1=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464024	0	30	-2.0	-110.30	289.08	3.58	-106.72
NC1=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464025	0	33	-2.0	-91.59	314.34	3.01	-88.58
NC1=C([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464025	1	32	-3.0	-155.76	314.82	3.02	-152.74
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464026	0	29	-2.0	-94.22	293.22	1.94	-92.28
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464027	0	31	-2.0	-100.52	302.19	3.70	-96.82
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464028	0	31	-2.0	-96.41	302.16	3.69	-92.72
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464029	0	30	-2.0	-100.01	303.56	3.89	-96.12
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C=C(F)C=C1C(=O)[O-]	REAL300000464030	0	30	-2.0	-103.84	297.83	3.99	-99.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1NC(C)=O	REAL300000464031	1	41	-2.0	-115.38	366.06	1.61	-113.77
NC1=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464032	1	34	-2.0	-96.03	327.32	3.08	-92.95
NC1=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464033	0	33	-2.0	-99.31	313.86	3.88	-95.43
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464033	1	32	-3.0	-168.10	314.35	3.89	-164.21
CC1=C(C)C(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=C1C	REAL300000464034	1	45	-2.0	-106.41	358.40	6.49	-99.92
NC1=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464035	1	39	-2.0	-102.65	344.18	3.24	-99.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1[N+](=O)[O-]	REAL300000464036	0	35	-2.0	-101.58	325.51	4.49	-97.09
NC1=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C=C(F)C=C1C(=O)[O-]	REAL300000464037	0	27	-2.0	-96.08	294.95	3.03	-93.05
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464038	1	48	-2.0	-102.75	386.85	7.32	-95.43
NC1=C([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464039	1	46	-2.0	-102.29	383.21	7.10	-95.19
NC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464040	1	33	-2.0	-95.68	320.10	4.30	-91.38
NC1=C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464041	1	40	-2.0	-104.91	344.08	5.80	-99.11
NC1=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464042	0	33	-2.0	-97.80	308.14	3.90	-93.90
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464042	1	32	-3.0	-156.63	309.78	3.86	-152.77
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464043	0	38	-2.0	-111.05	338.31	2.39	-108.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1OC	REAL300000464044	1	38	-2.0	-101.89	340.09	2.51	-99.38
NC1=C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464045	1	37	-2.0	-105.07	326.89	5.23	-99.84
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464046	0	32	-2.0	-93.77	296.26	2.21	-91.56
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464047	0	30	-2.0	-94.85	313.27	4.28	-90.57
NC1=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464048	0	33	-2.0	-98.08	309.32	3.85	-94.23
NC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464048	1	32	-3.0	-171.10	309.82	3.87	-167.23
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464049	0	30	-2.0	-93.93	294.05	3.43	-90.50
NC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464050	0	30	-2.0	-99.77	310.43	4.40	-95.37
NC1=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464051	0	33	-2.0	-99.81	320.09	4.32	-95.49
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464052	1	33	-2.0	-104.14	302.77	3.97	-100.17
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C(F)C=C1C(=O)[O-]	REAL300000464054	0	33	-2.0	-106.47	307.24	4.68	-101.79
NC1=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464055	0	30	-2.0	-100.13	298.09	3.84	-96.29
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464056	0	35	-2.0	-102.11	321.81	3.69	-98.42
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464057	1	36	-2.0	-103.81	317.47	4.75	-99.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C	REAL300000464058	1	36	-2.0	-104.97	319.78	4.51	-100.46
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464059	1	30	-2.0	-94.21	303.94	3.87	-90.34
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464060	0	35	-2.0	-113.03	322.62	3.71	-109.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=C1	REAL300000464061	1	36	-2.0	-103.44	318.27	4.73	-98.71
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464062	0	36	-2.0	-115.69	326.59	4.67	-111.02
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464063	0	39	-2.0	-98.25	357.97	4.88	-93.37
NC1=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464064	0	30	-2.0	-101.66	309.66	4.31	-97.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1[N+](=O)[O-]	REAL300000464065	0	36	-2.0	-101.29	336.88	4.05	-97.24
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464066	1	42	-2.0	-102.80	357.56	5.61	-97.19
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464067	1	39	-2.0	-102.78	341.59	5.21	-97.57
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464068	1	42	-2.0	-102.56	360.03	5.88	-96.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464069	0	36	-3.0	-175.54	337.18	3.67	-171.87
NC1=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464070	0	37	-2.0	-98.37	339.61	5.18	-93.19
NC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464070	1	36	-3.0	-156.65	341.26	5.15	-151.50
NC1=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464071	0	30	-2.0	-104.34	304.17	4.63	-99.71
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C(F)C=C1C(=O)[O-]	REAL300000464072	0	27	-2.0	-95.97	290.31	2.91	-93.06
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464073	1	39	-2.0	-102.68	345.73	5.51	-97.17
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464074	0	34	-2.0	-109.87	309.60	3.08	-106.79
CC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464075	0	36	-2.0	-106.68	325.45	4.37	-102.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464075	1	35	-3.0	-172.25	325.66	4.40	-167.85
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464076	0	41	-2.0	-109.65	364.63	2.01	-107.64
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464077	0	30	-2.0	-98.03	298.63	3.50	-94.53
NC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464078	0	30	-2.0	-95.13	314.83	4.35	-90.78
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464079	0	30	-2.0	-104.52	294.48	3.86	-100.66
NC1=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464080	0	30	-2.0	-100.04	302.65	3.94	-96.10
NC1=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464081	0	32	-2.0	-100.81	309.58	3.99	-96.82
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464082	0	35	-2.0	-99.86	324.29	4.75	-95.11
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464083	0	32	-2.0	-95.23	322.03	4.36	-90.87
NC1=C([N-]S(=O)(=O)C2=CC=CS2)C=C(F)C=C1C(=O)[O-]	REAL300000464084	0	27	-2.0	-101.44	273.27	2.30	-99.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464085	1	34	-2.0	-101.44	310.83	2.58	-98.86
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C(F)C=C1C(=O)[O-]	REAL300000464086	0	32	-2.0	-115.28	299.97	4.68	-110.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464087	1	33	-2.0	-103.53	302.76	3.96	-99.57
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464088	1	37	-2.0	-101.03	332.69	3.51	-97.52
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464089	0	30	-2.0	-99.24	293.24	3.43	-95.81
NC1=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464090	0	30	-2.0	-100.28	287.76	3.38	-96.90
NC1=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464091	0	30	-2.0	-94.41	294.18	3.45	-90.96
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1C	REAL300000464092	1	42	-2.0	-103.95	344.97	5.99	-97.96
NC1=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464093	1	36	-2.0	-103.70	325.84	2.46	-101.24
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=C1	REAL300000464094	1	39	-2.0	-103.33	333.00	5.62	-97.71
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464095	1	45	-2.0	-104.94	372.27	6.41	-98.53
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464096	1	30	-2.0	-97.23	298.07	3.80	-93.43
NC1=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464097	1	30	-2.0	-97.09	302.63	3.91	-93.18
NC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464098	0	32	-2.0	-92.38	309.56	3.96	-88.42
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464099	1	30	-2.0	-103.23	280.57	3.30	-99.93
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464100	1	37	-2.0	-108.74	337.55	2.17	-106.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464101	0	30	-2.0	-102.42	295.17	3.09	-99.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)=C1C	REAL300000464102	0	39	-2.0	-105.08	342.74	5.26	-99.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1C	REAL300000464102	1	38	-3.0	-172.31	342.94	5.18	-167.13
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464103	0	34	-2.0	-103.17	326.33	3.62	-99.55
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464104	0	32	-3.0	-167.16	314.51	3.93	-163.23
NC1=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464105	0	27	-2.0	-95.10	303.41	3.47	-91.63
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464106	1	45	-2.0	-102.54	384.81	6.79	-95.75
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464107	0	35	-2.0	-99.16	319.21	4.57	-94.59
NC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464108	0	30	-2.0	-102.30	292.48	3.44	-98.86
NC1=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464109	0	39	-2.0	-94.29	351.82	5.48	-88.81
NC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464109	1	38	-3.0	-155.88	353.38	5.44	-150.44
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464110	1	40	-2.0	-108.53	357.84	3.00	-105.53
NC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464111	1	34	-2.0	-99.55	317.11	0.13	-99.42
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464112	1	34	-2.0	-101.21	321.54	4.32	-96.89
NC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464113	1	35	-2.0	-100.38	323.38	1.77	-98.61
NC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464114	1	38	-2.0	-101.29	341.19	2.50	-98.79
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1OCC	REAL300000464115	1	44	-2.0	-101.89	383.80	4.35	-97.54
NC1=C([N-]S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464116	1	35	-2.0	-101.22	329.62	3.47	-97.75
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C(F)C=C1C(=O)[O-]	REAL300000464117	0	29	-3.0	-163.88	302.22	2.89	-160.99
NC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464118	0	33	-2.0	-99.14	313.11	0.82	-98.32
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464119	0	36	-2.0	-103.84	325.64	4.71	-99.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464119	1	35	-3.0	-170.46	324.47	4.65	-165.81
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464120	0	36	-2.0	-101.57	318.18	2.39	-99.18
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1C	REAL300000464121	0	38	-2.0	-99.52	342.80	5.30	-94.22
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464122	0	36	-2.0	-98.57	336.11	3.96	-94.61
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464123	0	37	-2.0	-102.79	337.77	1.57	-101.22
NC1=C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464124	0	35	-2.0	-103.87	335.52	-1.75	-105.62
NC1=C([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464125	1	41	-2.0	-110.01	358.74	4.42	-105.59
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464126	0	39	-2.0	-112.93	353.49	4.96	-107.97
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464127	0	34	-2.0	-102.71	315.84	0.07	-102.64
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=CC=C21	REAL300000464128	1	41	-2.0	-111.28	360.62	4.35	-106.93
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464129	1	36	-2.0	-103.01	324.24	4.73	-98.28
NC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464130	1	36	-2.0	-105.94	327.30	5.59	-100.35
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=CS1	REAL300000464131	0	33	-2.0	-112.42	320.94	3.59	-108.83
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464132	1	40	-2.0	-102.24	357.92	3.80	-98.44
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=C1	REAL300000464133	1	40	-2.0	-100.55	340.38	4.19	-96.36
NC1=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464134	0	37	-2.0	-96.15	339.29	4.18	-91.97
NC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464134	1	36	-3.0	-155.54	340.87	4.13	-151.41
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C	REAL300000464135	1	44	-2.0	-103.77	386.42	3.54	-100.23
NC1=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C=C(F)C=C1C(=O)[O-]	REAL300000464136	1	41	-2.0	-104.70	365.59	7.43	-97.27
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464137	1	42	-2.0	-102.97	362.51	5.97	-97.00
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464138	1	30	-2.0	-96.50	287.74	3.35	-93.15
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464139	0	30	-2.0	-107.41	286.84	3.35	-104.06
NC1=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)C=C(F)C=C1C(=O)[O-]	REAL300000464140	0	35	-2.0	-100.46	336.47	2.29	-98.17
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C(F)C=C1C(=O)[O-]	REAL300000464141	0	35	-2.0	-99.32	323.73	3.80	-95.52
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464142	0	36	-2.0	-115.90	334.24	1.87	-114.03
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=C2N=C1	REAL300000464143	0	38	-2.0	-118.35	342.68	4.58	-113.77
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464144	1	40	-2.0	-100.62	354.18	4.31	-96.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(Cl)=C1	REAL300000464145	0	33	-2.0	-104.31	315.89	4.52	-99.79
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C=C(F)C=C1C(=O)[O-]	REAL300000464146	0	34	-2.0	-105.50	326.09	3.57	-101.93
NC1=C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464147	1	36	-2.0	-100.39	332.10	0.55	-99.84
NC1=C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464148	0	35	-2.0	-107.81	335.54	-1.72	-109.53
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=CC=C21	REAL300000464149	1	38	-2.0	-100.60	344.20	3.74	-96.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C([N+](=O)[O-])=C1	REAL300000464150	0	36	-2.0	-110.48	331.59	4.01	-106.47
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=C2C1=O	REAL300000464151	0	37	-2.0	-97.60	347.20	2.57	-95.03
NC1=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464152	1	35	-2.0	-97.55	329.05	4.81	-92.74
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=CC=C21	REAL300000464153	0	36	-2.0	-100.42	335.50	3.26	-97.16
NC1=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464154	0	34	-2.0	-98.05	327.35	3.11	-94.94
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464155	0	36	-2.0	-108.02	342.04	0.81	-107.21
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464156	1	33	-2.0	-96.33	303.26	4.13	-92.20
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464157	0	40	-2.0	-106.05	349.96	7.19	-98.86
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464158	0	30	-2.0	-96.91	300.86	3.94	-92.97
NC1=C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464159	0	42	-2.0	-109.87	367.29	2.65	-107.22
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(F)=C1	REAL300000464160	0	37	-2.0	-113.91	342.72	2.27	-111.64
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464161	0	36	-2.0	-111.30	342.06	0.83	-110.47
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1OC	REAL300000464163	0	38	-2.0	-103.56	345.55	2.56	-101.00
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1OC	REAL300000464164	1	41	-2.0	-102.23	355.11	3.27	-98.96
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464165	0	33	-3.0	-168.84	316.47	3.21	-165.63
CN1C=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464165	1	34	-2.0	-98.44	317.57	3.23	-95.21
CN1C=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1Cl	REAL300000464166	0	30	-2.0	-109.60	298.81	2.86	-106.74
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(N)=O	REAL300000464167	0	35	-2.0	-101.59	323.08	-0.53	-102.12
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464168	0	37	-2.0	-104.99	331.26	2.31	-102.68
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464168	1	36	-3.0	-170.91	333.60	2.70	-168.21
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464169	1	41	-2.0	-103.11	366.31	2.78	-100.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1Cl	REAL300000464170	1	34	-2.0	-99.79	326.88	3.16	-96.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1F	REAL300000464171	1	34	-2.0	-99.71	317.07	2.68	-97.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C	REAL300000464172	1	37	-2.0	-102.24	330.94	3.35	-98.89
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C	REAL300000464173	1	40	-2.0	-101.95	352.80	4.27	-97.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(N)=O	REAL300000464174	1	37	-2.0	-98.51	332.05	0.75	-97.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(N)=O	REAL300000464175	1	38	-2.0	-100.37	343.17	0.68	-99.69
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464176	0	30	-2.0	-100.39	285.91	1.01	-99.38
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464177	0	35	-2.0	-92.13	325.06	4.72	-87.41
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CN1C	REAL300000464178	0	38	-2.0	-102.13	345.54	0.93	-101.20
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464179	1	33	-2.0	-99.73	312.79	4.60	-95.13
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464180	1	43	-2.0	-100.69	374.29	5.01	-95.68
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=N2)C=C1	REAL300000464181	0	40	-2.0	-101.23	362.54	5.10	-96.13
NC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464183	1	41	-2.0	-102.30	356.83	3.45	-98.85
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C	REAL300000464184	1	40	-2.0	-102.09	354.93	4.18	-97.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464185	0	32	-3.0	-159.51	318.92	3.54	-155.97
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1Cl	REAL300000464186	0	31	-2.0	-93.63	317.58	4.11	-89.52
N#CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1Cl	REAL300000464187	0	31	-2.0	-94.22	317.59	4.11	-90.11
CC1=CC(C)=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464188	0	39	-2.0	-105.36	345.14	5.36	-100.00
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464188	1	38	-3.0	-173.29	344.77	5.27	-168.02
NC1=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464189	0	34	-2.0	-107.98	319.72	3.68	-104.30
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C2=CC=CN=C12	REAL300000464190	0	39	-2.0	-105.26	346.67	3.09	-102.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1Cl	REAL300000464191	1	33	-2.0	-100.72	316.83	4.41	-96.31
NC1=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464192	0	30	-2.0	-104.39	303.00	3.86	-100.53
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1OC(C)C	REAL300000464193	1	43	-2.0	-102.16	370.75	4.90	-97.26
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464194	0	36	-2.0	-97.72	337.81	3.77	-93.95
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C2=CC=CC=C12	REAL300000464195	1	40	-2.0	-108.46	350.73	4.97	-103.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1F	REAL300000464196	1	33	-2.0	-100.65	308.08	4.01	-96.64
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464197	1	33	-2.0	-97.08	313.59	4.58	-92.50
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464198	0	33	-2.0	-107.48	307.48	4.04	-103.44
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464199	0	33	-2.0	-99.82	302.46	4.15	-95.67
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464200	0	35	-2.0	-116.25	315.05	5.54	-110.71
NC1=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C=C(F)C=C1C(=O)[O-]	REAL300000464201	0	38	-2.0	-104.24	346.63	2.54	-101.70
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464202	0	40	-2.0	-113.53	353.51	3.18	-110.35
NC1=C([N-]S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464203	1	44	-2.0	-100.61	376.41	5.54	-95.07
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464204	1	46	-2.0	-100.40	393.25	5.61	-94.79
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464205	1	40	-2.0	-104.87	367.19	4.21	-100.66
NC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464206	0	29	-3.0	-166.11	301.47	2.91	-163.20
NC1=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464206	1	30	-2.0	-97.17	302.32	2.93	-94.24
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1Cl	REAL300000464207	0	33	-2.0	-105.13	323.69	5.20	-99.93
COC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464208	0	37	-2.0	-103.69	336.51	3.92	-99.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464208	1	36	-3.0	-177.21	337.12	3.93	-173.28
NC1=C([N-]S(=O)(=O)C2=C(Br)C=CS2)C=C(F)C=C1C(=O)[O-]	REAL300000464209	0	27	-2.0	-100.94	293.72	2.85	-98.09
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1O	REAL300000464210	1	37	-2.0	-100.20	344.96	2.00	-98.20
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464211	1	43	-2.0	-111.22	385.03	3.08	-108.14
NC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C(F)C=C1C(=O)[O-]	REAL300000464212	0	32	-2.0	-107.90	308.68	4.79	-103.11
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464213	0	42	-2.0	-103.40	361.87	5.48	-97.92
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464213	1	41	-3.0	-173.31	362.93	5.88	-167.43
NC1=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464214	1	40	-2.0	-103.69	355.53	6.71	-96.98
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464215	0	39	-2.0	-111.13	361.39	1.81	-109.32
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464216	0	41	-2.0	-112.68	372.11	2.97	-109.71
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=C1	REAL300000464217	1	37	-2.0	-101.31	326.31	3.36	-97.95
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C	REAL300000464218	1	40	-2.0	-102.45	345.96	4.12	-98.33
NC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464219	0	41	-2.0	-113.16	369.42	3.29	-109.87
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464220	0	34	-2.0	-105.50	312.54	1.66	-103.84
NC1=C([N-]S(=O)(=O)C2=CNN=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464221	0	27	-2.0	-97.91	262.95	-0.29	-98.20
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464222	0	39	-2.0	-103.52	338.22	4.97	-98.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464222	1	38	-3.0	-169.09	339.76	5.59	-163.50
NC1=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C(F)C=C1C(=O)[O-]	REAL300000464223	0	33	-2.0	-106.26	320.87	4.20	-102.06
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464224	0	39	-3.0	-178.50	359.47	4.44	-174.06
NC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464225	0	35	-3.0	-172.67	337.67	4.41	-168.26
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464225	1	34	-4.0	-253.28	338.22	4.44	-248.84
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464226	0	33	-2.0	-96.65	329.21	3.05	-93.60
NC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C(F)C=C1C(=O)[O-]	REAL300000464227	0	40	-2.0	-104.85	352.63	5.88	-98.97
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C(F)C=C1C(=O)[O-]	REAL300000464227	1	39	-3.0	-174.94	354.06	5.75	-169.19
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C	REAL300000464228	0	38	-2.0	-114.60	337.52	5.89	-108.71
NC1=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C(F)C=C1C(=O)[O-]	REAL300000464229	0	34	-2.0	-96.16	319.17	3.68	-92.48
NC1=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464230	0	30	-2.0	-100.43	295.48	3.65	-96.78
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C(C(=O)[O-])O1	REAL300000464231	0	32	-3.0	-162.07	312.83	3.01	-159.06
NC1=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C(F)C=C1C(=O)[O-]	REAL300000464232	0	33	-2.0	-122.55	308.77	2.51	-120.04
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464233	0	36	-2.0	-107.69	340.83	4.02	-103.67
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464234	0	40	-2.0	-111.47	352.87	4.66	-106.81
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464235	1	33	-2.0	-93.76	325.69	4.38	-89.38
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464236	1	46	-2.0	-100.40	397.18	5.87	-94.53
NC1=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=C(F)C=C1C(=O)[O-]	REAL300000464237	0	32	-2.0	-114.44	315.22	5.46	-108.98
NC1=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464238	0	35	-2.0	-113.30	329.69	3.49	-109.81
NC1=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464239	0	29	-2.0	-94.65	297.68	2.10	-92.55
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464240	1	44	-2.0	-103.05	388.17	3.75	-99.30
NC1=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C(F)C=C1C(=O)[O-]	REAL300000464241	0	32	-2.0	-117.95	307.36	4.93	-113.02
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464242	0	36	-3.0	-173.22	338.80	2.95	-170.27
NC1=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464243	0	37	-2.0	-101.71	341.93	4.42	-97.29
NC1=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464244	0	40	-2.0	-101.35	367.35	4.87	-96.48
NC1=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464245	0	29	-2.0	-94.54	282.76	1.58	-92.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(F)(F)F	REAL300000464246	1	36	-2.0	-100.20	335.79	4.83	-95.37
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=CC=C21	REAL300000464247	1	40	-2.0	-100.78	361.62	4.22	-96.56
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464248	0	33	-2.0	-101.99	329.47	2.95	-99.04
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464249	0	38	-2.0	-98.75	339.63	5.69	-93.06
NC1=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464250	0	35	-2.0	-104.30	317.51	3.72	-100.58
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464251	0	29	-2.0	-95.72	306.57	2.43	-93.29
CC1=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1OCC(=O)[O-]	REAL300000464252	0	40	-2.0	-96.73	360.42	4.84	-91.89
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1OCC(=O)[O-]	REAL300000464252	1	39	-3.0	-155.95	360.99	4.86	-151.09
CN1C=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464253	0	30	-2.0	-110.40	285.36	2.38	-108.02
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=C1	REAL300000464254	1	40	-2.0	-100.99	348.17	4.28	-96.71
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=C12	REAL300000464255	0	38	-2.0	-98.00	347.69	3.03	-94.97
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=C12	REAL300000464256	0	34	-2.0	-94.14	320.33	0.28	-93.86
NC1=C([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464257	1	39	-2.0	-104.57	362.88	6.13	-98.44
NC1=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464258	0	30	-2.0	-105.33	293.11	3.42	-101.91
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(F)=C1	REAL300000464259	0	34	-2.0	-105.67	318.55	2.89	-102.78
NC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C(F)C=C1C(=O)[O-]	REAL300000464260	0	32	-2.0	-107.94	319.02	5.24	-102.70
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464261	0	35	-3.0	-160.83	330.55	4.67	-156.16
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464261	1	36	-2.0	-97.93	330.96	4.74	-93.19
NC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C(F)C=C1C(=O)[O-]	REAL300000464262	0	36	-2.0	-108.48	324.48	2.94	-105.54
CC1=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CN1C	REAL300000464263	0	33	-2.0	-112.75	305.06	2.18	-110.57
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C(F)C=C1C(=O)[O-]	REAL300000464264	0	34	-2.0	-105.40	319.33	3.37	-102.03
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464265	0	39	-2.0	-106.38	358.01	4.89	-101.49
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464266	0	33	-2.0	-100.57	307.41	1.87	-98.70
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464267	0	42	-2.0	-97.91	379.47	5.68	-92.23
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464268	1	37	-2.0	-105.03	336.42	3.03	-102.00
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464269	0	36	-2.0	-110.39	333.01	4.74	-105.65
NC1=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464270	0	33	-2.0	-101.46	325.13	4.38	-97.08
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C=C(F)C=C1C(=O)[O-]	REAL300000464271	0	33	-2.0	-98.52	313.64	4.75	-93.77
NC1=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C=C(F)C=C1C(=O)[O-]	REAL300000464272	0	30	-2.0	-102.09	313.41	3.40	-98.69
CCOC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464273	0	40	-2.0	-113.92	358.44	4.83	-109.09
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464273	1	39	-3.0	-177.53	358.96	4.84	-172.69
NC1=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464274	1	35	-2.0	-101.89	317.33	2.61	-99.28
NC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464275	0	30	-2.0	-99.73	300.10	3.95	-95.78
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=C2)=CO1	REAL300000464276	0	39	-2.0	-106.02	357.74	2.36	-103.66
CC1CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=CC=C2O1	REAL300000464277	1	38	-2.0	-102.11	338.28	3.90	-98.21
NC1=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464278	0	34	-2.0	-97.13	325.65	0.17	-96.96
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464279	0	30	-2.0	-98.64	281.74	0.35	-98.29
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464280	0	34	-2.0	-105.23	310.86	2.60	-102.63
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464281	1	33	-2.0	-103.29	296.85	4.07	-99.22
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464282	0	36	-2.0	-106.64	343.03	1.53	-105.11
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464282	1	35	-3.0	-163.64	338.72	0.42	-163.22
CN1C=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=N1	REAL300000464283	0	30	-2.0	-108.98	286.37	0.83	-108.15
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464284	0	30	-2.0	-95.31	281.66	0.92	-94.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(F)=C1	REAL300000464287	0	33	-2.0	-107.03	308.26	4.02	-103.01
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1F	REAL300000464288	1	33	-2.0	-97.02	308.08	4.00	-93.02
NC1=C([N-]S(=O)(=O)C2=CNC=N2)C=C(F)C=C1C(=O)[O-]	REAL300000464289	0	27	-2.0	-108.83	262.66	0.71	-108.12
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)O1	REAL300000464290	0	33	-2.0	-97.00	320.91	2.09	-94.91
NC1=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464291	0	35	-2.0	-118.44	320.50	3.94	-114.50
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C(C(=O)[O-])S1	REAL300000464292	0	32	-3.0	-166.45	318.44	3.76	-162.69
CC1=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)C=C(C(=O)[O-])S1	REAL300000464292	1	33	-2.0	-102.00	318.12	3.34	-98.66
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1C	REAL300000464293	1	39	-2.0	-105.15	345.68	4.61	-100.54
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464294	0	34	-2.0	-104.97	323.18	3.19	-101.78
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CN=C1Cl	REAL300000464295	0	32	-2.0	-95.03	312.01	2.52	-92.51
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464296	0	36	-2.0	-110.17	339.53	0.89	-109.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=C1C	REAL300000464297	1	40	-2.0	-102.14	341.91	4.02	-98.12
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464298	1	39	-2.0	-108.25	358.29	4.73	-103.52
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=C21	REAL300000464300	0	41	-2.0	-124.08	361.89	4.43	-119.65
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464301	0	42	-2.0	-102.05	359.44	3.93	-98.12
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)SC=C1	REAL300000464302	0	30	-2.0	-102.59	289.64	3.12	-99.47
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1C	REAL300000464303	0	39	-2.0	-101.81	340.78	3.23	-98.58
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C	REAL300000464304	0	39	-2.0	-98.73	352.27	4.49	-94.24
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1[N+](=O)[O-]	REAL300000464305	0	35	-2.0	-92.88	325.75	4.48	-88.40
NC1=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464306	0	38	-2.0	-114.84	340.95	1.77	-113.07
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464307	1	34	-2.0	-99.87	316.84	4.48	-95.39
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1F	REAL300000464308	1	37	-2.0	-110.45	342.61	2.31	-108.14
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1[N+](=O)[O-]	REAL300000464309	0	35	-2.0	-101.70	331.12	4.54	-97.16
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464310	1	42	-2.0	-102.89	334.15	5.51	-97.38
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1C	REAL300000464311	1	40	-2.0	-120.65	356.01	3.10	-117.55
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464312	0	34	-2.0	-104.77	319.02	3.76	-101.01
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464313	1	34	-2.0	-96.25	317.60	4.47	-91.78
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464314	1	42	-2.0	-101.71	343.41	6.76	-94.95
NC1=C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464315	1	39	-2.0	-109.94	350.04	3.38	-106.56
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1OC	REAL300000464316	1	40	-2.0	-101.78	363.44	4.01	-97.77
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(F)=C1	REAL300000464317	0	31	-2.0	-99.19	307.64	3.76	-95.43
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=C2O1	REAL300000464318	0	35	-2.0	-101.08	325.03	0.97	-100.11
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464319	0	36	-2.0	-100.59	326.12	2.39	-98.20
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)C=C(F)C=C1C(=O)[O-]	REAL300000464320	0	35	-2.0	-106.63	319.21	-0.22	-106.85
NC1=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464321	1	35	-2.0	-103.79	322.34	3.70	-100.09
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464322	0	36	-2.0	-105.87	340.73	2.07	-103.80
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CN1	REAL300000464323	0	36	-2.0	-110.05	325.33	1.74	-108.31
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C([N+](=O)[O-])=C1	REAL300000464324	0	33	-2.0	-105.31	322.87	5.10	-100.21
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=NN1C1=CC=CC=N1	REAL300000464326	0	39	-2.0	-105.31	353.55	4.68	-100.63
NC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464328	0	30	-2.0	-89.25	300.94	3.46	-85.79
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464329	0	41	-2.0	-100.91	363.96	5.13	-95.78
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CN1C	REAL300000464331	0	37	-2.0	-106.19	342.53	3.40	-102.79
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464332	1	45	-2.0	-102.71	371.79	6.08	-96.63
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464333	0	32	-3.0	-154.98	322.85	4.42	-150.56
NC1=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464333	1	33	-2.0	-89.44	321.35	4.02	-85.42
NC1=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464334	0	33	-2.0	-100.46	313.68	3.89	-96.57
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464334	1	32	-3.0	-155.86	314.36	3.91	-151.95
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464335	0	38	-2.0	-112.28	347.52	2.71	-109.57
NC1=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464336	0	37	-2.0	-104.74	346.32	4.59	-100.15
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464337	1	40	-2.0	-110.00	359.66	3.95	-106.05
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC(C)=C1F	REAL300000464338	1	36	-2.0	-97.66	328.38	4.62	-93.04
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C(F)C=C1C(=O)[O-]	REAL300000464339	0	29	-3.0	-158.20	302.07	2.98	-155.22
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464340	0	39	-2.0	-109.74	345.94	4.27	-105.47
NC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464341	0	32	-3.0	-161.19	316.24	3.94	-157.25
NC1=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464341	1	33	-2.0	-100.25	315.67	3.92	-96.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1F	REAL300000464342	0	35	-3.0	-168.95	335.55	4.56	-164.39
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464343	0	44	-2.0	-100.49	374.87	5.33	-95.16
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CN1	REAL300000464344	0	34	-2.0	-103.53	324.76	1.64	-101.89
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464345	0	32	-3.0	-156.47	315.26	3.93	-152.54
NC1=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464346	0	33	-2.0	-96.80	321.64	4.24	-92.56
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464346	1	32	-3.0	-154.26	322.33	4.28	-149.98
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464347	0	33	-2.0	-99.69	302.16	4.10	-95.59
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1C	REAL300000464348	1	39	-2.0	-100.79	352.24	4.48	-96.31
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CS1	REAL300000464349	0	33	-2.0	-102.32	328.63	2.98	-99.34
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1F	REAL300000464350	1	36	-2.0	-96.28	340.69	3.98	-92.30
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464351	0	32	-2.0	-99.43	305.62	1.89	-97.54
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464352	1	34	-2.0	-108.37	323.60	4.46	-103.91
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464353	0	38	-2.0	-92.04	338.87	5.67	-86.37
CC(=O)NC1=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1[O-]	REAL300000464354	1	38	-2.0	-95.68	343.26	0.19	-95.49
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1O	REAL300000464354	1	38	-2.0	-115.17	346.74	-0.53	-115.70
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464355	1	36	-2.0	-99.30	334.80	5.09	-94.21
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464356	1	36	-2.0	-104.39	324.25	4.74	-99.65
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464357	0	33	-2.0	-100.22	309.19	4.04	-96.18
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464358	0	36	-2.0	-98.13	339.24	2.75	-95.38
NC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464359	1	36	-2.0	-99.83	332.75	2.37	-97.46
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464360	0	34	-3.0	-155.68	338.59	4.50	-151.18
NC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464360	1	35	-2.0	-90.99	337.54	4.50	-86.49
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464361	0	40	-2.0	-111.93	363.51	3.77	-108.16
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464362	0	42	-2.0	-106.26	369.27	5.27	-100.99
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=CC=C2O1	REAL300000464363	1	41	-2.0	-102.12	358.79	4.55	-97.57
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C(F)C=C1F	REAL300000464364	0	33	-2.0	-99.40	313.56	4.05	-95.35
NC1=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464365	0	36	-2.0	-110.77	333.11	6.35	-104.42
NC1=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464366	0	36	-2.0	-111.08	322.40	5.61	-105.47
NC1=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464367	0	32	-2.0	-100.69	313.34	2.79	-97.90
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C(F)C=C1C(=O)[O-]	REAL300000464368	0	33	-3.0	-169.10	319.53	1.57	-167.53
NC1=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C(F)C=C1C(=O)[O-]	REAL300000464369	1	40	-2.0	-106.75	336.66	5.95	-100.80
NC1=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464370	0	36	-2.0	-94.07	330.42	4.68	-89.39
NC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464370	1	35	-3.0	-160.30	331.98	4.64	-155.66
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)O1	REAL300000464371	0	36	-2.0	-97.13	342.77	3.02	-94.11
NC1=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464372	0	32	-2.0	-92.94	316.00	4.06	-88.88
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464373	0	35	-2.0	-112.44	336.40	4.38	-108.06
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=CC=C21	REAL300000464374	0	42	-2.0	-102.38	372.10	4.84	-97.54
COC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)SC=C1	REAL300000464375	0	31	-2.0	-110.70	303.51	1.57	-109.13
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)OC2=CC=C(F)C=C12	REAL300000464376	0	36	-2.0	-102.12	338.11	4.41	-97.71
NC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C(F)C=C1C(=O)[O-]	REAL300000464377	0	33	-2.0	-104.62	311.13	3.71	-100.91
CC1=NC2=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=CC=C2C=C1	REAL300000464378	0	38	-2.0	-120.11	342.86	4.53	-115.58
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=C21	REAL300000464379	1	41	-2.0	-99.29	364.67	2.80	-96.49
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464380	0	36	-2.0	-102.91	336.77	6.03	-96.88
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)SC2=CC=CC(F)=C12	REAL300000464381	0	36	-2.0	-105.64	338.91	5.50	-100.14
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1F	REAL300000464382	0	35	-2.0	-100.91	335.35	4.69	-96.22
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464383	0	32	-2.0	-107.75	314.60	2.04	-105.71
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=NC2=C1Cl	REAL300000464384	0	35	-2.0	-93.43	342.35	3.26	-90.17
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464385	0	30	-2.0	-93.38	297.39	2.20	-91.18
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)N=C1Cl	REAL300000464386	0	30	-2.0	-107.21	301.71	2.12	-105.09
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464387	0	38	-2.0	-106.01	340.36	1.91	-104.10
NC1=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464388	0	31	-2.0	-107.48	297.18	2.04	-105.44
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1C	REAL300000464389	0	38	-2.0	-115.60	332.15	6.14	-109.46
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464390	0	31	-2.0	-94.39	303.57	1.11	-93.28
CC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464391	0	29	-2.0	-99.18	289.87	1.11	-98.07
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464392	0	35	-2.0	-93.45	328.78	4.78	-88.67
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464393	0	36	-2.0	-99.96	320.34	4.56	-95.40
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464393	1	35	-3.0	-168.46	319.35	4.53	-163.93
CC1=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)=CC(C(=O)[O-])=C1F	REAL300000464395	0	36	-2.0	-109.12	334.10	4.50	-104.62
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC(C(=O)[O-])=C1F	REAL300000464395	1	35	-3.0	-169.15	334.67	4.52	-164.63
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464396	0	36	-2.0	-98.67	325.62	4.70	-93.97
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464396	1	35	-3.0	-156.85	325.23	4.63	-152.22
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464397	0	36	-2.0	-109.78	340.32	4.40	-105.38
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C(C)N1	REAL300000464398	0	43	-2.0	-102.61	377.36	3.96	-98.65
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1F	REAL300000464399	0	33	-2.0	-102.14	312.76	4.08	-98.06
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1[N+](=O)[O-]	REAL300000464400	0	36	-2.0	-92.90	336.89	4.05	-88.85
CC1=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)=CC(C(=O)[O-])=C1C	REAL300000464401	0	39	-2.0	-98.53	342.48	4.87	-93.66
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC(C(=O)[O-])=C1C	REAL300000464401	1	38	-3.0	-174.12	342.57	4.92	-169.20
NC1=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464402	0	36	-2.0	-112.23	339.09	6.11	-106.12
NC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464403	0	34	-3.0	-168.30	336.46	4.96	-163.34
NC1=C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464403	1	35	-2.0	-104.48	336.58	4.89	-99.59
NC1=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=C(F)C=C1C(=O)[O-]	REAL300000464404	0	33	-2.0	-99.89	326.68	4.79	-95.10
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1CC	REAL300000464405	1	42	-2.0	-104.77	358.43	5.87	-98.90
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464406	0	32	-3.0	-158.86	321.53	3.99	-154.87
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC([N+](=O)[O-])=C1F	REAL300000464407	0	35	-2.0	-93.80	334.42	4.63	-89.17
NC1=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464408	0	29	-2.0	-100.62	300.34	2.74	-97.88
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464409	0	36	-2.0	-109.60	326.78	3.67	-105.93
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464410	0	35	-2.0	-95.10	332.11	2.13	-92.97
NC1=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464411	0	29	-2.0	-93.03	306.77	2.48	-90.55
CC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=C1C(=O)[O-]	REAL300000464412	0	39	-2.0	-98.35	341.31	4.84	-93.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=C1C(=O)[O-]	REAL300000464412	1	38	-3.0	-172.78	343.67	5.26	-167.52
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464413	0	35	-3.0	-168.33	330.30	4.46	-163.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464414	0	35	-3.0	-177.22	334.81	4.55	-172.67
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464415	0	38	-2.0	-113.06	344.45	4.57	-108.49
COCCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464416	0	37	-2.0	-98.91	341.08	0.91	-98.00
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C([N+](=O)[O-])=N1	REAL300000464417	0	35	-2.0	-108.47	331.67	4.13	-104.34
CCC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464418	0	39	-2.0	-106.88	343.77	5.02	-101.86
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464418	1	38	-3.0	-173.15	344.20	5.05	-168.10
NC1=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464419	0	41	-2.0	-100.54	358.52	1.85	-98.69
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464422	0	36	-2.0	-91.25	327.57	3.40	-87.85
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464422	1	35	-3.0	-155.78	329.50	3.80	-151.98
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464423	0	39	-2.0	-102.60	353.56	4.96	-97.64
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464424	0	36	-2.0	-109.60	328.68	4.05	-105.55
NC1=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464425	0	38	-2.0	-98.97	339.40	1.06	-97.91
NC1=C([N-]S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464426	1	37	-2.0	-104.68	345.70	3.83	-100.85
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1F	REAL300000464427	0	33	-2.0	-108.31	307.15	4.01	-104.30
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464428	0	36	-2.0	-96.78	330.39	0.92	-95.86
NC1=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C(F)C=C1C(=O)[O-]	REAL300000464429	0	37	-2.0	-113.35	327.30	3.34	-110.01
COC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)C=C1CC(=O)[O-]	REAL300000464430	0	40	-2.0	-105.72	359.82	3.99	-101.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1CC(=O)[O-]	REAL300000464430	1	39	-3.0	-175.65	360.29	4.00	-171.65
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464431	1	37	-2.0	-102.95	336.41	3.02	-99.93
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464432	0	35	-2.0	-106.15	320.63	0.27	-105.88
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1Cl	REAL300000464433	0	33	-2.0	-105.36	313.20	4.43	-100.93
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C(C)O1	REAL300000464435	0	33	-2.0	-100.96	304.32	2.88	-98.08
NC1=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C=C(F)C=C1C(=O)[O-]	REAL300000464436	0	36	-2.0	-108.19	326.82	0.99	-107.20
NC1=C([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464437	1	38	-2.0	-103.11	335.08	3.95	-99.16
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464438	0	37	-2.0	-102.01	327.98	3.32	-98.69
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C(C(=O)OC)O1	REAL300000464439	0	39	-2.0	-97.29	358.37	3.71	-93.58
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464440	1	40	-2.0	-101.15	350.39	4.15	-97.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)O1	REAL300000464441	0	30	-2.0	-102.12	285.94	2.11	-100.01
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464442	0	33	-2.0	-103.27	313.56	3.65	-99.62
NC1=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464443	1	33	-2.0	-100.16	307.41	1.98	-98.18
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C2=NC=CC=C2C=C1	REAL300000464444	0	38	-2.0	-117.93	334.80	5.12	-112.81
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C(F)C=C1C(=O)[O-]	REAL300000464445	0	36	-2.0	-111.74	330.63	5.30	-106.44
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464446	0	36	-2.0	-107.04	333.00	4.75	-102.29
NC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464447	0	32	-2.0	-90.74	314.11	4.01	-86.73
NC1=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464448	0	30	-2.0	-94.76	304.51	3.90	-90.86
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C(C)O1	REAL300000464449	0	36	-2.0	-97.48	339.22	2.85	-94.63
NC1=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464450	0	29	-2.0	-94.65	293.10	2.00	-92.65
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)N=C1C	REAL300000464451	0	36	-2.0	-112.61	327.10	3.09	-109.52
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464452	0	33	-2.0	-104.67	315.12	4.54	-100.13
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464453	0	36	-3.0	-170.28	337.85	4.08	-166.20
CCN1C=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464453	1	37	-2.0	-106.73	338.93	4.12	-102.61
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464454	0	33	-2.0	-101.27	321.25	2.04	-99.23
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464455	0	42	-2.0	-102.80	360.86	3.84	-98.96
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CN1C	REAL300000464456	0	40	-2.0	-105.59	364.40	4.33	-101.26
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464457	0	38	-2.0	-98.55	340.98	5.22	-93.33
NC1=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464458	0	30	-2.0	-107.56	297.47	4.08	-103.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(Cl)=N1	REAL300000464459	0	32	-2.0	-102.30	311.24	2.61	-99.69
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464460	0	35	-2.0	-101.94	330.38	3.49	-98.45
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1Cl	REAL300000464461	1	34	-2.0	-99.62	336.56	4.78	-94.84
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464462	0	32	-2.0	-98.66	310.58	1.88	-96.78
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=C12	REAL300000464463	0	37	-2.0	-93.71	343.18	0.99	-92.72
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464464	0	32	-2.0	-97.78	319.47	3.63	-94.15
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CN=C1Cl	REAL300000464465	0	33	-2.0	-93.27	322.21	1.27	-92.00
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=CC=C21	REAL300000464466	0	39	-2.0	-100.33	357.30	4.27	-96.06
NC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464467	0	32	-2.0	-93.03	316.07	2.55	-90.48
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464468	0	36	-2.0	-99.94	342.57	4.03	-95.91
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464469	0	45	-2.0	-102.29	374.29	4.31	-97.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=C1F	REAL300000464470	1	37	-2.0	-99.26	330.66	3.42	-95.84
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(Cl)=C1	REAL300000464471	0	31	-2.0	-96.88	315.22	4.26	-92.62
NC1=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464472	0	33	-2.0	-111.30	309.26	3.62	-107.68
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464473	0	35	-2.0	-99.61	331.31	2.16	-97.45
NC1=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=C(F)C=C1C(=O)[O-]	REAL300000464474	0	27	-2.0	-96.69	285.74	2.04	-94.65
CC1=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C(C2=CC=CC=C2)O1	REAL300000464475	0	39	-2.0	-109.70	354.54	2.41	-107.29
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1[N+](=O)[O-]	REAL300000464476	0	38	-2.0	-100.80	341.13	5.24	-95.56
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464477	0	40	-2.0	-110.05	344.93	5.05	-105.00
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464478	1	38	-2.0	-105.28	332.46	3.70	-101.58
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464479	0	42	-2.0	-105.73	372.66	5.67	-100.06
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464480	0	30	-2.0	-95.97	315.75	4.42	-91.55
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464481	0	30	-2.0	-96.56	310.33	3.52	-93.04
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(OC)=C1	REAL300000464482	0	40	-2.0	-104.23	364.33	3.75	-100.48
NC1=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464483	1	33	-2.0	-103.19	313.54	4.19	-99.00
NC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464484	0	33	-2.0	-98.33	325.59	4.36	-93.97
NC1=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464485	0	33	-2.0	-100.03	320.40	2.15	-97.88
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464486	0	34	-2.0	-109.42	317.42	4.34	-105.08
NC1=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464487	0	33	-2.0	-104.31	326.72	0.55	-103.76
NC1=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464488	0	38	-2.0	-97.81	350.80	4.59	-93.22
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464489	1	39	-2.0	-105.69	335.35	5.28	-100.41
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=CS1	REAL300000464490	0	36	-2.0	-111.95	335.83	4.51	-107.44
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1F	REAL300000464491	1	34	-2.0	-96.34	317.08	2.68	-93.66
NC1=C([N-]S(=O)(=O)C2=CC=CO2)C=C(F)C=C1C(=O)[O-]	REAL300000464492	0	27	-2.0	-101.14	264.02	1.27	-99.87
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464493	0	29	-2.0	-91.90	275.76	-0.30	-92.20
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=CN=C21	REAL300000464494	0	35	-2.0	-98.26	325.72	2.43	-95.83
NC1=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464495	0	29	-2.0	-94.64	302.53	3.08	-91.56
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464497	1	38	-2.0	-104.48	348.36	1.52	-102.96
NC1=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C(F)C=C1C(=O)[O-]	REAL300000464498	0	34	-2.0	-106.21	309.49	2.75	-103.46
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464499	0	31	-2.0	-99.98	314.49	4.28	-95.70
NC1=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464500	0	33	-2.0	-100.35	325.29	2.37	-97.98
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464501	1	36	-2.0	-101.96	311.48	5.03	-96.93
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464502	0	38	-2.0	-116.11	334.55	3.82	-112.29
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464504	0	33	-2.0	-107.51	300.96	4.27	-103.24
NC1=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464505	0	34	-2.0	-115.78	318.97	3.39	-112.39
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464506	0	43	-2.0	-101.94	371.55	4.74	-97.20
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=CC=C12	REAL300000464507	0	38	-2.0	-118.33	338.46	4.49	-113.84
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464508	0	34	-2.0	-106.47	332.62	0.60	-105.87
NC1=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464509	0	31	-2.0	-109.35	306.11	1.60	-107.75
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464510	0	33	-2.0	-99.94	305.94	0.77	-99.17
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1OC	REAL300000464511	0	40	-2.0	-99.35	363.43	4.02	-95.33
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N)OCO2	REAL300000464513	1	36	-2.0	-99.93	322.84	2.72	-97.21
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464514	0	36	-2.0	-101.63	330.38	4.58	-97.05
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464515	0	40	-2.0	-103.21	352.54	3.12	-100.09
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464516	0	39	-2.0	-116.39	348.46	5.59	-110.80
NC1=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)C=C(F)C=C1C(=O)[O-]	REAL300000464517	0	36	-2.0	-110.98	342.54	4.85	-106.13
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464518	0	33	-2.0	-106.60	326.31	0.77	-105.83
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464518	1	32	-3.0	-163.20	323.00	-0.35	-163.55
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1F	REAL300000464519	0	37	-2.0	-102.82	342.61	2.31	-100.51
NC1=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464520	1	34	-2.0	-99.00	326.82	2.95	-96.05
NC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464521	0	33	-2.0	-93.09	325.68	4.37	-88.72
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464522	0	35	-2.0	-105.61	338.14	-1.08	-106.69
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464523	0	34	-2.0	-107.63	313.87	4.58	-103.05
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464524	1	34	-2.0	-108.25	323.61	4.47	-103.78
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464525	0	30	-2.0	-97.61	311.19	4.37	-93.24
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464526	1	36	-2.0	-96.35	317.99	5.07	-91.28
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(N)=NO1	REAL300000464527	0	31	-2.0	-93.67	288.88	0.66	-93.01
NC1=C([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464528	0	30	-2.0	-95.83	310.57	4.69	-91.14
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464529	0	34	-2.0	-105.88	325.56	3.62	-102.26
NC1=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464530	0	31	-2.0	-98.74	308.86	2.08	-96.66
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464531	0	37	-2.0	-104.95	325.54	3.38	-101.57
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1Cl	REAL300000464532	1	37	-2.0	-99.92	341.92	3.93	-95.99
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464534	0	28	-2.0	-94.42	293.93	2.85	-91.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464535	0	32	-2.0	-100.41	297.96	2.13	-98.28
NC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464536	0	35	-2.0	-102.99	322.55	3.67	-99.32
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(F)=C1	REAL300000464537	0	36	-2.0	-101.68	341.59	4.03	-97.65
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1F	REAL300000464538	0	36	-2.0	-97.57	340.67	3.99	-93.58
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1C#N	REAL300000464539	0	34	-2.0	-96.07	321.34	4.20	-91.87
NC1=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464540	0	29	-2.0	-89.62	299.09	1.99	-87.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(F)=C1	REAL300000464542	0	34	-2.0	-104.67	316.32	2.67	-102.00
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1[N+](=O)[O-]	REAL300000464543	0	38	-2.0	-114.68	342.14	6.63	-108.05
NC1=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464544	1	36	-2.0	-103.08	342.33	5.07	-98.01
NC1=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464546	1	33	-2.0	-100.85	313.53	4.15	-96.70
NC1=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464547	1	40	-2.0	-107.58	355.56	6.73	-100.85
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)N(C)N=C1	REAL300000464549	0	33	-2.0	-96.10	298.22	1.75	-94.35
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)O1	REAL300000464550	0	28	-2.0	-94.92	285.29	1.84	-93.08
NC1=C([N-]S(=O)(=O)C2=CSC=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464551	0	27	-2.0	-99.60	272.48	2.22	-97.38
NC1=C([N-]S(=O)(=O)C2=COC=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464552	0	27	-2.0	-100.01	263.89	1.20	-98.81
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464553	0	41	-2.0	-111.63	363.90	2.83	-108.80
CC1=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1C(=O)[O-]	REAL300000464554	0	36	-2.0	-96.83	325.23	4.38	-92.45
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1C(=O)[O-]	REAL300000464554	1	35	-3.0	-158.42	329.22	4.48	-153.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464555	0	33	-2.0	-96.85	308.54	-0.01	-96.86
NC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464556	0	30	-2.0	-102.29	302.80	3.90	-98.39
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464557	0	39	-2.0	-104.87	358.10	6.09	-98.78
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464558	0	39	-2.0	-104.55	353.93	5.80	-98.75
NC1=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464559	0	33	-2.0	-104.29	317.09	4.67	-99.62
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464560	1	42	-2.0	-109.02	380.17	5.66	-103.36
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)N(C)N=C1	REAL300000464561	0	39	-2.0	-103.05	352.42	3.29	-99.76
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1C	REAL300000464562	1	42	-2.0	-101.09	374.09	5.41	-95.68
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=C2O1	REAL300000464563	0	41	-2.0	-114.60	359.07	4.51	-110.09
NC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C(F)C=C1C(=O)[O-]	REAL300000464564	0	33	-2.0	-107.28	307.94	1.93	-105.35
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464565	1	36	-2.0	-95.56	335.93	5.09	-90.47
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464566	0	37	-2.0	-105.31	332.71	3.53	-101.78
NC1=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464567	0	30	-2.0	-104.07	303.67	4.15	-99.92
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=C2C=C1	REAL300000464568	1	39	-2.0	-105.58	348.66	6.24	-99.34
NC1=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C(F)C=C1C(=O)[O-]	REAL300000464569	0	27	-2.0	-101.79	289.39	2.75	-99.04
CC1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464570	0	30	-2.0	-101.47	294.99	2.96	-98.51
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464571	1	43	-2.0	-107.80	377.64	3.65	-104.15
NC1=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464572	0	27	-2.0	-98.95	279.63	0.11	-98.84
NC1=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C=C(F)C=C1C(=O)[O-]	REAL300000464573	0	35	-2.0	-110.13	335.86	4.36	-105.77
NC1=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464574	0	29	-2.0	-97.55	288.31	1.41	-96.14
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464575	0	39	-2.0	-97.73	346.43	2.38	-95.35
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464576	0	39	-2.0	-97.21	350.53	1.85	-95.36
NC1=C([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464578	1	38	-2.0	-101.29	343.23	4.31	-96.98
NC1=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C(F)C=C1C(=O)[O-]	REAL300000464579	0	33	-2.0	-99.08	317.54	3.78	-95.30
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464580	0	35	-2.0	-111.91	322.51	2.87	-109.04
CC1=NSC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464581	0	29	-2.0	-95.66	289.06	1.61	-94.05
NC1=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C=C(F)C=C1C(=O)[O-]	REAL300000464583	0	34	-2.0	-100.36	329.85	1.99	-98.37
NC1=C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C=C(F)C=C1C(=O)[O-]	REAL300000464583	1	34	-2.0	-91.87	324.84	2.86	-89.01
NC1=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464584	0	36	-2.0	-97.86	337.32	4.68	-93.18
NC1=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464585	1	37	-2.0	-102.66	329.79	5.41	-97.25
NC1=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C(F)C=C1C(=O)[O-]	REAL300000464586	0	27	-2.0	-104.01	279.69	2.34	-101.67
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=CC=C2NC1=O	REAL300000464587	1	39	-2.0	-99.60	352.43	3.04	-96.56
NC1=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C=C(F)C=C1C(=O)[O-]	REAL300000464588	0	36	-2.0	-115.25	342.18	1.71	-113.54
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C(F)(F)F)=N1	REAL300000464589	0	33	-2.0	-102.72	319.99	2.15	-100.57
NC1=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464590	0	39	-2.0	-102.42	346.20	4.91	-97.51
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1F	REAL300000464591	0	31	-2.0	-93.73	308.08	3.74	-89.99
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C(F)C=C1[N+](=O)[O-]	REAL300000464592	0	35	-2.0	-95.10	333.12	4.68	-90.42
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464593	0	36	-2.0	-104.92	327.04	4.29	-100.63
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464593	1	35	-3.0	-167.28	328.98	4.69	-162.59
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464594	0	31	-2.0	-100.96	314.23	2.59	-98.37
NC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C(F)C=C1C(=O)[O-]	REAL300000464595	0	34	-3.0	-180.83	333.55	5.72	-175.11
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464597	1	30	-2.0	-125.73	286.68	-0.76	-126.49
NC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C(F)C=C1C(=O)[O-]	REAL300000464598	0	30	-2.0	-94.47	313.93	3.50	-90.97
NC1=C([N-]S(=O)(=O)C2=NC=CN2)C=C(F)C=C1C(=O)[O-]	REAL300000464599	0	27	-2.0	-104.23	262.98	-0.11	-104.34
NC1=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464600	0	35	-2.0	-107.81	318.33	0.21	-107.60
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464601	0	33	-2.0	-104.61	312.78	3.82	-100.79
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CN=C1C	REAL300000464602	0	38	-2.0	-95.36	347.02	2.65	-92.71
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464603	0	32	-2.0	-94.14	308.91	2.67	-91.47
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1C(F)(F)F	REAL300000464604	1	36	-2.0	-96.15	335.79	4.82	-91.33
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464605	1	39	-2.0	-109.21	358.31	4.74	-104.47
NC1=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464606	0	32	-2.0	-93.75	321.11	3.18	-90.57
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=NN1C	REAL300000464608	0	33	-2.0	-101.18	302.02	1.53	-99.65
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464609	1	34	-2.0	-103.47	312.42	4.38	-99.09
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464610	0	43	-2.0	-114.24	375.32	4.19	-110.05
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464611	0	33	-2.0	-101.28	304.74	1.66	-99.62
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464612	0	37	-2.0	-101.21	353.18	3.54	-97.67
NC1=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C(F)C=C1C(=O)[O-]	REAL300000464613	0	30	-2.0	-99.98	297.00	0.83	-99.15
NC1=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464614	0	36	-2.0	-96.70	327.63	3.23	-93.47
NC1=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464615	0	38	-2.0	-93.76	351.72	1.87	-91.89
NC1=C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464616	1	37	-2.0	-108.57	337.35	3.07	-105.50
NC1=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C=C(F)C=C1C(=O)[O-]	REAL300000464617	0	33	-2.0	-99.40	318.58	0.87	-98.53
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1Cl	REAL300000464618	0	34	-2.0	-96.94	326.88	3.16	-93.78
NC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464619	0	32	-3.0	-176.38	313.44	3.89	-172.49
NC1=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C(F)C=C1C(=O)[O-]	REAL300000464620	0	27	-2.0	-106.24	280.70	1.29	-104.95
NC1=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464621	0	32	-2.0	-113.15	312.53	2.73	-110.42
NC1=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464622	1	35	-2.0	-105.62	317.16	3.16	-102.46
NC1=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464623	0	36	-2.0	-110.48	331.93	5.60	-104.88
NC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C=C(F)C=C1C(=O)[O-]	REAL300000464624	0	33	-2.0	-106.38	321.48	2.37	-104.01
CCC1=CC(CC)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(CC)=C1	REAL300000464625	1	48	-2.0	-101.55	385.16	8.23	-93.32
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464626	0	33	-2.0	-104.36	308.51	4.80	-99.56
NC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C=C(F)C=C1C(=O)[O-]	REAL300000464627	0	34	-2.0	-100.49	324.99	3.43	-97.06
NC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C(F)C=C1C(=O)[O-]	REAL300000464628	0	35	-2.0	-112.42	317.64	3.12	-109.30
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C2=CC=CC(C)=C2S1	REAL300000464629	0	39	-2.0	-104.93	350.94	6.34	-98.59
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(F)=C1	REAL300000464634	0	33	-2.0	-109.26	310.49	4.26	-105.00
NC1=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464635	0	29	-2.0	-95.61	306.38	2.49	-93.12
CN1N=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1Br	REAL300000464636	0	30	-2.0	-97.71	305.01	1.44	-96.27
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=CC=C21	REAL300000464637	0	35	-2.0	-102.79	325.80	1.72	-101.07
CS(=O)(=NS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N)C1=CC=CC=C1	REAL300000464638	1	37	-2.0	-123.26	343.51	2.01	-121.25
CC1=C(F)C=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464639	0	36	-2.0	-94.43	335.12	4.46	-89.97
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000464639	1	35	-3.0	-163.62	335.06	4.53	-159.09
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464641	0	34	-2.0	-105.99	315.24	3.16	-102.83
NC1=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464642	1	33	-2.0	-93.69	320.94	2.42	-91.27
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1[N+](=O)[O-]	REAL300000464643	0	38	-2.0	-101.37	343.94	5.14	-96.23
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464644	0	46	-2.0	-111.27	385.00	5.43	-105.84
COC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1Cl	REAL300000464646	0	33	-2.0	-93.90	324.62	0.53	-93.37
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464647	0	29	-2.0	-93.79	278.30	1.24	-92.55
NC1=C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464648	0	34	-2.0	-98.63	332.01	1.43	-97.20
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CC=C1Cl	REAL300000464649	1	33	-2.0	-97.89	316.83	4.41	-93.48
NC1=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464650	0	36	-2.0	-111.72	329.45	4.30	-107.42
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C([N+](=O)[O-])S1	REAL300000464651	0	32	-2.0	-109.18	315.93	4.49	-104.69
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464652	1	35	-2.0	-116.07	322.98	-0.76	-116.83
NC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464653	1	33	-2.0	-98.05	323.38	1.50	-96.55
NC1=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464654	0	29	-2.0	-105.08	281.85	1.48	-103.60
NC1=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464656	0	29	-2.0	-93.53	282.76	1.46	-92.07
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464658	0	37	-2.0	-106.61	349.43	5.03	-101.58
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464660	0	30	-2.0	-94.52	303.94	3.87	-90.65
NC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C(F)C=C1C(=O)[O-]	REAL300000464661	0	39	-2.0	-109.42	342.30	3.67	-105.75
NC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C(F)C=C1C(=O)[O-]	REAL300000464662	0	38	-2.0	-112.11	333.53	4.50	-107.61
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464663	0	40	-2.0	-102.61	354.48	2.26	-100.35
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464666	0	37	-2.0	-113.37	337.30	0.74	-112.63
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(=O)NC1=O	REAL300000464667	1	33	-2.0	-106.27	309.75	-0.00	-106.27
CC(C)OC1(CS(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)CCOC1	REAL300000464668	1	44	-2.0	-104.87	360.05	2.05	-102.82
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)N(C)N=C1	REAL300000464669	0	36	-2.0	-102.69	330.55	2.36	-100.33
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C	REAL300000464670	1	41	-2.0	-105.86	366.16	2.39	-103.47
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464672	0	43	-2.0	-105.73	371.17	4.96	-100.77
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1F	REAL300000464675	0	35	-2.0	-107.67	326.74	5.38	-102.29
CCC1=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CN1CC1CC1	REAL300000464676	0	43	-2.0	-112.81	380.22	5.24	-107.57
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)O1	REAL300000464677	0	36	-2.0	-97.59	338.81	2.67	-94.92
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=C2C1	REAL300000464678	1	41	-2.0	-108.88	365.15	3.81	-105.07
NC1=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C(F)C=C1C(=O)[O-]	REAL300000464679	0	33	-2.0	-99.66	321.09	2.79	-96.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=C1[N+](=O)[O-]	REAL300000464680	0	38	-2.0	-98.80	344.64	5.63	-93.17
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464681	0	33	-2.0	-89.72	321.94	1.96	-87.76
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464682	0	29	-2.0	-98.12	298.77	1.90	-96.22
NC1=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=C(F)C=C1C(=O)[O-]	REAL300000464683	0	40	-2.0	-113.65	347.45	6.70	-106.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(F)=C1F	REAL300000464684	0	33	-2.0	-105.32	312.66	4.09	-101.23
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)OC=C1	REAL300000464685	0	33	-2.0	-109.46	313.49	2.75	-106.71
CCC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C(C)C=C1OC	REAL300000464686	1	43	-2.0	-102.39	367.22	4.86	-97.53
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=N1	REAL300000464687	0	32	-2.0	-114.16	308.45	2.28	-111.88
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=N1	REAL300000464688	0	42	-2.0	-100.94	369.27	4.06	-96.88
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C(F)C=C1C(=O)[O-]	REAL300000464689	0	31	-3.0	-168.32	306.04	1.99	-166.33
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464690	0	34	-2.0	-102.28	314.15	3.43	-98.85
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C(C)C	REAL300000464691	1	46	-2.0	-102.75	391.32	5.56	-97.19
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1F	REAL300000464692	0	42	-2.0	-100.13	359.58	5.56	-94.57
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464693	0	31	-2.0	-94.69	308.62	3.77	-90.92
CN1N=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1C(F)(F)F	REAL300000464694	0	33	-2.0	-97.95	314.50	1.94	-96.01
NC1=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C(F)C=C1C(=O)[O-]	REAL300000464695	0	32	-2.0	-101.43	303.84	2.35	-99.08
NC1=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C(F)C=C1C(=O)[O-]	REAL300000464695	1	32	-2.0	-114.06	304.51	2.49	-111.57
NC1=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464696	0	34	-2.0	-109.78	315.08	3.26	-106.52
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464697	0	40	-2.0	-99.49	342.33	3.40	-96.09
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C(C)(C)C)=N1	REAL300000464698	0	42	-2.0	-100.20	349.36	3.92	-96.28
NC1=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464699	0	40	-2.0	-100.63	348.76	3.66	-96.97
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(Br)=N1	REAL300000464700	0	30	-2.0	-101.15	306.61	1.50	-99.65
NC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C(F)C=C1C(=O)[O-]	REAL300000464702	0	31	-2.0	-100.97	297.54	1.05	-99.92
NC1=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C(F)C=C1C(=O)[O-]	REAL300000464702	1	31	-2.0	-92.90	292.54	1.94	-90.96
NC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])C=C(F)C=C1C(=O)[O-]	REAL300000464702	1	30	-3.0	-182.84	293.19	1.93	-180.91
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464703	1	40	-2.0	-102.64	358.55	6.07	-96.57
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464704	0	33	-2.0	-115.56	312.35	0.94	-114.62
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464705	0	36	-2.0	-101.08	324.21	2.45	-98.63
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1F	REAL300000464706	0	35	-2.0	-102.31	326.37	3.77	-98.54
NC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464707	0	30	-2.0	-95.97	286.53	0.66	-95.31
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464708	1	33	-2.0	-97.11	318.04	4.22	-92.89
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1CC	REAL300000464710	1	46	-2.0	-101.77	395.90	5.82	-95.95
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464711	1	37	-2.0	-106.68	345.10	5.24	-101.44
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464712	1	36	-2.0	-97.19	328.33	5.50	-91.69
COC1=NSC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464713	0	30	-2.0	-93.04	299.82	-0.89	-93.93
NC1=C([N-]S(=O)(=O)C2=CC=NS2)C=C(F)C=C1C(=O)[O-]	REAL300000464715	0	26	-2.0	-95.64	268.16	1.00	-94.64
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464717	0	36	-3.0	-161.33	338.00	3.66	-157.67
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464717	1	37	-2.0	-100.24	335.99	3.58	-96.66
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C(C(N)=O)O1	REAL300000464718	0	34	-2.0	-101.23	320.87	-1.09	-102.32
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464719	1	39	-2.0	-102.48	333.07	5.81	-96.67
NC1=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C(F)C=C1C(=O)[O-]	REAL300000464720	0	30	-2.0	-97.96	301.88	3.20	-94.76
NC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464721	0	29	-3.0	-156.50	309.91	2.84	-153.66
NC1=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464722	0	35	-2.0	-111.55	317.60	3.79	-107.76
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464723	0	37	-2.0	-103.90	341.99	3.50	-100.40
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1F	REAL300000464724	0	31	-2.0	-105.45	307.16	3.72	-101.73
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464725	0	33	-2.0	-93.56	335.91	2.56	-91.00
NC1=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464726	0	37	-2.0	-100.74	331.26	2.99	-97.75
NC1=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C(F)C=C1C(=O)[O-]	REAL300000464727	0	37	-2.0	-97.46	328.62	3.19	-94.27
NC1=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C(F)C=C1C(=O)[O-]	REAL300000464728	0	40	-2.0	-97.57	350.56	3.92	-93.65
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=NN2C1	REAL300000464729	0	41	-2.0	-107.90	356.39	1.30	-106.60
NC1=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C=C(F)C=C1C(=O)[O-]	REAL300000464730	0	36	-2.0	-101.69	347.41	4.22	-97.47
NC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464731	0	36	-2.0	-100.98	332.08	0.54	-100.44
NC1=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C(F)C=C1C(=O)[O-]	REAL300000464732	0	27	-2.0	-100.79	285.46	1.89	-98.90
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1F	REAL300000464733	0	34	-2.0	-93.25	327.82	2.82	-90.43
NC1=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C(F)C=C1C(=O)[O-]	REAL300000464734	0	37	-2.0	-104.25	325.73	3.33	-100.92
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1F	REAL300000464735	0	34	-2.0	-100.27	321.75	2.75	-97.52
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C	REAL300000464736	1	46	-2.0	-104.47	384.12	5.37	-99.10
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464737	0	40	-2.0	-107.91	355.81	4.69	-103.22
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464738	0	33	-2.0	-99.87	305.99	3.98	-95.89
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=C2O1	REAL300000464739	0	38	-2.0	-113.23	338.77	3.88	-109.35
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464740	0	38	-2.0	-99.79	350.02	2.95	-96.84
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=C2)CC1	REAL300000464741	1	38	-2.0	-105.71	349.58	5.50	-100.21
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464742	0	34	-2.0	-105.53	317.81	3.95	-101.58
NC1=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464743	0	27	-2.0	-100.55	286.85	2.73	-97.82
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464744	0	30	-2.0	-91.23	302.28	1.47	-89.76
NC1=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464745	0	32	-2.0	-93.80	315.25	2.46	-91.34
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464746	0	35	-2.0	-116.45	322.03	2.89	-113.56
NC1=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464747	0	31	-2.0	-92.53	296.24	2.10	-90.43
NC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C(F)C=C1C(=O)[O-]	REAL300000464748	0	33	-2.0	-104.56	320.17	4.73	-99.83
NC1=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C(F)C=C1C(=O)[O-]	REAL300000464749	0	33	-2.0	-116.26	326.25	3.00	-113.26
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464750	0	37	-2.0	-96.64	333.36	3.01	-93.63
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=C1F	REAL300000464751	1	39	-2.0	-100.55	337.30	5.66	-94.89
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1OC	REAL300000464752	0	38	-2.0	-106.98	337.14	3.22	-103.76
NC1=C([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464753	1	39	-2.0	-107.91	349.68	0.54	-107.37
NC1=C([N-]S(=O)(=O)C2=COC3=CC=CC=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464754	0	33	-2.0	-104.79	311.11	3.58	-101.21
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1OC	REAL300000464755	0	38	-2.0	-110.71	340.82	3.61	-107.10
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C2CCCC2)=N1	REAL300000464756	0	43	-2.0	-104.53	370.11	4.21	-100.32
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C2CC2)=N1	REAL300000464757	0	37	-2.0	-103.56	336.66	3.23	-100.33
NC1=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464758	1	34	-2.0	-102.59	320.60	2.87	-99.72
NC1=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C(F)C=C1C(=O)[O-]	REAL300000464759	0	33	-2.0	-110.08	310.77	2.49	-107.59
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C=CC=C21	REAL300000464760	0	35	-2.0	-119.72	325.89	1.69	-118.03
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=C21	REAL300000464761	0	37	-2.0	-103.69	322.06	5.27	-98.42
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CN=C1N	REAL300000464762	0	34	-2.0	-102.57	309.37	1.01	-101.56
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464763	0	30	-2.0	-100.23	298.64	-0.84	-101.07
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)N=CN1	REAL300000464764	0	30	-2.0	-109.79	280.45	1.39	-108.40
NC1=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464766	0	33	-2.0	-100.95	315.07	3.68	-97.27
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C2CCC2)=N1	REAL300000464767	0	40	-2.0	-103.94	352.88	3.70	-100.24
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464768	1	48	-2.0	-106.75	394.80	7.24	-99.51
NC1=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464769	0	27	-2.0	-100.06	287.18	2.83	-97.23
NC1=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464770	0	40	-2.0	-101.11	355.35	3.95	-97.16
NC1=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C(F)C=C1C(=O)[O-]	REAL300000464771	0	34	-2.0	-107.21	319.48	4.43	-102.78
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464772	1	43	-2.0	-111.71	371.16	1.69	-110.02
COC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C2=NC=CC=C2C=C1	REAL300000464773	0	39	-2.0	-127.07	346.79	4.49	-122.58
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464774	1	39	-2.0	-104.45	345.75	5.52	-98.93
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464775	0	36	-2.0	-94.61	336.63	1.70	-92.91
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464776	0	37	-2.0	-100.13	326.03	2.87	-97.26
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464777	1	36	-2.0	-103.08	310.65	5.00	-98.08
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464778	0	39	-2.0	-95.14	328.29	3.21	-91.93
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464779	0	39	-2.0	-101.20	345.06	3.02	-98.18
NC1=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C(F)C=C1C(=O)[O-]	REAL300000464780	0	37	-2.0	-101.17	329.87	2.39	-98.78
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=CN=C1C(F)(F)F	REAL300000464781	0	35	-2.0	-93.49	332.28	3.12	-90.37
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464782	0	41	-2.0	-100.22	355.63	4.12	-96.10
NC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464783	0	32	-2.0	-87.98	320.39	4.06	-83.92
NC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464784	0	33	-2.0	-94.07	326.51	4.39	-89.68
NC1=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464785	1	33	-2.0	-102.53	309.33	4.10	-98.43
NC1=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464786	0	30	-2.0	-101.47	302.65	3.69	-97.78
NC1=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464787	0	30	-2.0	-95.10	313.10	3.42	-91.68
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464788	0	33	-2.0	-95.73	302.50	1.56	-94.17
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1C	REAL300000464790	1	36	-2.0	-103.81	313.06	4.62	-99.19
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C(F)C=C1C(=O)[O-]	REAL300000464791	0	33	-2.0	-101.59	308.73	4.33	-97.26
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464792	0	41	-2.0	-112.67	365.94	5.34	-107.33
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=CC=C21	REAL300000464794	0	40	-2.0	-106.52	361.59	4.99	-101.53
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464796	1	39	-2.0	-103.58	359.77	4.94	-98.64
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1Cl	REAL300000464797	0	31	-2.0	-102.74	313.95	4.15	-98.59
NC1=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C(F)C=C1C(=O)[O-]	REAL300000464798	0	30	-2.0	-102.77	301.35	3.52	-99.25
NC1=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464799	1	37	-2.0	-104.52	330.57	5.41	-99.11
COC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=CS1	REAL300000464800	0	31	-2.0	-106.47	303.61	1.73	-104.74
NC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C=C(F)C=C1C(=O)[O-]	REAL300000464801	0	33	-2.0	-101.12	312.85	4.76	-96.36
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464802	0	36	-2.0	-98.26	346.31	3.62	-94.64
NC1=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464803	0	37	-2.0	-105.81	336.06	5.46	-100.35
NC1=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C(F)C=C1C(=O)[O-]	REAL300000464804	0	40	-2.0	-97.95	346.23	3.89	-94.06
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464805	0	39	-2.0	-97.14	341.30	3.19	-93.95
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464806	1	39	-2.0	-109.05	352.39	0.82	-108.23
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464807	0	33	-2.0	-109.06	334.51	-0.19	-109.25
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)C2=N1	REAL300000464808	0	35	-2.0	-112.05	324.95	1.65	-110.40
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)O1	REAL300000464809	0	33	-2.0	-102.11	307.43	2.89	-99.22
NC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C(F)C=C1C(=O)[O-]	REAL300000464810	0	30	-2.0	-95.35	305.20	2.50	-92.85
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464811	0	34	-2.0	-98.93	321.50	3.23	-95.70
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C2CCOCC2)=N1	REAL300000464812	0	44	-2.0	-102.76	379.70	2.43	-100.33
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464813	1	36	-2.0	-103.07	334.57	4.84	-98.23
NC1=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464814	0	34	-2.0	-102.57	320.61	2.90	-99.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)S1	REAL300000464816	0	31	-2.0	-99.75	305.13	1.74	-98.01
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C2=NC=CC=C12	REAL300000464817	0	41	-2.0	-119.31	352.76	5.58	-113.73
NC1=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464819	0	33	-2.0	-98.32	314.00	2.00	-96.32
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464820	1	40	-2.0	-105.29	358.28	3.99	-101.30
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1Cl	REAL300000464821	0	33	-2.0	-98.33	332.24	2.76	-95.57
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464822	0	40	-2.0	-98.06	360.25	4.49	-93.57
NC1=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464823	0	43	-2.0	-100.23	367.75	4.25	-95.98
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C(F)C=C1C(=O)[O-]	REAL300000464824	0	33	-2.0	-105.23	301.92	4.25	-100.98
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464825	0	42	-2.0	-106.11	362.98	6.09	-100.02
NC1=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN32)C=C(F)C=C1C(=O)[O-]	REAL300000464826	0	33	-2.0	-107.33	308.35	3.64	-103.69
NC1=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464827	0	32	-2.0	-104.39	312.30	2.71	-101.68
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=N1	REAL300000464828	0	32	-2.0	-100.23	302.05	0.16	-100.07
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1Cl	REAL300000464829	0	33	-2.0	-98.39	323.08	2.21	-96.18
NC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464830	0	32	-2.0	-96.95	322.35	2.57	-94.38
NC1=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C(F)C=C1C(=O)[O-]	REAL300000464831	0	27	-2.0	-96.40	281.11	1.93	-94.47
NC1=C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464832	0	35	-2.0	-111.61	334.55	4.26	-107.35
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C2=CC=CC=C12	REAL300000464833	0	39	-2.0	-111.69	340.13	6.14	-105.55
NC1=C([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464834	1	37	-2.0	-102.98	339.27	3.65	-99.33
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464835	0	30	-2.0	-97.65	308.09	3.92	-93.73
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)O1	REAL300000464836	0	36	-2.0	-112.74	345.02	-0.40	-113.14
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C2=CC=CC=C2)=N1	REAL300000464837	0	40	-2.0	-105.77	358.86	4.72	-101.05
NC1=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C(F)C=C1C(=O)[O-]	REAL300000464839	0	34	-2.0	-102.79	325.16	4.62	-98.17
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1[N+](=O)[O-]	REAL300000464840	0	33	-2.0	-94.09	326.81	4.12	-89.97
NC1=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C=C(F)C=C1C(=O)[O-]	REAL300000464842	0	26	-2.0	-92.74	285.27	1.72	-91.02
CC1=COC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464843	0	30	-2.0	-101.44	285.95	1.97	-99.47
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1	REAL300000464844	1	40	-2.0	-102.88	368.01	5.19	-97.69
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=NN1	REAL300000464845	0	36	-2.0	-100.77	341.72	1.09	-99.68
COC1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1OC	REAL300000464846	0	35	-2.0	-103.96	334.30	1.30	-102.66
NC1=C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464847	0	31	-2.0	-83.22	316.95	1.91	-81.31
NC1=C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464847	1	30	-3.0	-155.73	317.15	2.35	-153.38
NC1=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464848	0	29	-2.0	-89.43	298.99	1.95	-87.48
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464849	1	34	-2.0	-101.65	326.85	2.96	-98.69
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464850	0	36	-2.0	-100.54	324.99	3.24	-97.30
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3N)=CC=C21	REAL300000464851	1	37	-2.0	-109.49	335.08	5.07	-104.42
NC1=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C=C(F)C=C1C(=O)[O-]	REAL300000464852	0	33	-2.0	-104.88	312.39	4.67	-100.21
NC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=C(F)C=C1C(=O)[O-]	REAL300000464853	0	27	-2.0	-92.29	306.42	3.39	-88.90
CN1N=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1Cl	REAL300000464854	0	30	-2.0	-98.07	301.30	1.34	-96.73
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464855	0	35	-2.0	-100.62	333.62	3.98	-96.64
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464856	0	36	-2.0	-114.54	319.22	5.12	-109.42
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)OC=C1	REAL300000464857	0	28	-2.0	-102.25	285.52	1.75	-100.50
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464858	0	32	-2.0	-94.09	309.10	2.69	-91.40
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464859	0	41	-2.0	-106.10	364.69	4.92	-101.18
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C2CC2)=N1	REAL300000464860	0	40	-2.0	-103.77	358.18	4.09	-99.68
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C2=NSN=C2C=C1	REAL300000464861	0	34	-2.0	-108.97	319.31	2.65	-106.32
NC1=C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464862	1	36	-2.0	-101.02	344.00	6.09	-94.93
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(=O)NC(=O)N1	REAL300000464863	1	33	-2.0	-105.53	304.41	-0.99	-106.52
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464864	0	43	-2.0	-98.78	368.03	4.51	-94.27
NC1=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464865	0	27	-2.0	-99.38	280.09	1.81	-97.57
NC1=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C(F)C=C1C(=O)[O-]	REAL300000464866	0	27	-2.0	-96.86	290.22	2.81	-94.05
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464867	0	44	-2.0	-110.28	385.40	3.61	-106.67
NC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C=C(F)C=C1C(=O)[O-]	REAL300000464868	0	36	-2.0	-106.61	340.19	6.12	-100.49
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464869	0	38	-2.0	-97.65	333.63	1.05	-96.60
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C(F)C=C1C(=O)[O-]	REAL300000464870	1	37	-2.0	-106.70	324.91	5.48	-101.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C)=N1	REAL300000464874	0	36	-2.0	-96.61	324.20	0.71	-95.90
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464875	0	36	-2.0	-106.66	328.75	1.11	-105.55
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464876	0	33	-2.0	-100.83	324.06	0.96	-99.87
COC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C	REAL300000464877	0	36	-2.0	-97.65	328.67	0.71	-96.94
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=N1	REAL300000464878	0	39	-2.0	-100.71	348.78	3.40	-97.31
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464879	0	39	-2.0	-101.55	344.93	3.04	-98.51
NC1=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C(F)C=C1C(=O)[O-]	REAL300000464880	0	29	-2.0	-99.54	308.67	1.28	-98.26
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=CO1	REAL300000464881	0	28	-2.0	-102.75	284.38	1.70	-101.05
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)SC=C1	REAL300000464882	0	28	-2.0	-104.27	293.39	2.62	-101.65
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464883	0	36	-2.0	-96.58	323.12	2.56	-94.02
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C1C	REAL300000464884	0	38	-2.0	-95.33	347.66	2.68	-92.65
NC1=C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464885	0	40	-2.0	-96.34	355.66	5.72	-90.62
NC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464885	1	39	-3.0	-163.37	355.16	5.75	-157.62
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464886	0	33	-2.0	-108.52	323.28	5.10	-103.42
NC1=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C(F)C=C1C(=O)[O-]	REAL300000464887	0	37	-2.0	-96.50	333.56	3.41	-93.09
NC1=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464888	0	37	-2.0	-101.77	335.04	4.44	-97.33
COC1=NOC(CS(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464889	1	33	-2.0	-98.73	311.63	-0.35	-99.08
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=NN1C(C)C	REAL300000464890	0	39	-2.0	-101.77	345.84	3.03	-98.74
NC1=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464891	1	37	-2.0	-108.85	341.29	5.49	-103.36
NC1=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464892	0	32	-2.0	-98.37	308.70	2.33	-96.04
NC1=C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)C=C(F)C=C1C(=O)[O-]	REAL300000464893	0	30	-2.0	-102.06	319.21	-0.50	-102.56
NC1=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464895	1	37	-2.0	-104.75	342.85	5.53	-99.22
NC1=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C=C(F)C=C1C(=O)[O-]	REAL300000464896	0	34	-2.0	-104.67	331.80	3.75	-100.92
NC1=C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464897	0	40	-2.0	-97.24	354.81	5.74	-91.50
NC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464897	1	39	-3.0	-169.84	353.91	5.74	-164.10
NC1=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464898	0	31	-2.0	-103.66	292.37	0.46	-103.20
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464899	0	39	-2.0	-105.31	341.12	5.18	-100.13
NC1=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C(F)C=C1C(=O)[O-]	REAL300000464900	0	33	-2.0	-111.50	320.24	4.31	-107.19
NC1=C([N-]S(=O)(=O)C2=CSN=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464901	0	26	-2.0	-94.10	267.01	0.90	-93.20
NC1=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464902	0	34	-2.0	-113.53	329.41	2.57	-110.96
NC1=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=C(F)C=C1C(=O)[O-]	REAL300000464903	0	37	-2.0	-109.78	337.18	5.59	-104.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(Cl)=C1Cl	REAL300000464904	0	33	-2.0	-102.13	327.63	4.92	-97.21
NC1=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464905	0	37	-2.0	-102.32	349.32	4.34	-97.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C(C(F)F)=C1	REAL300000464906	0	37	-2.0	-108.76	331.79	3.87	-104.89
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464907	0	35	-2.0	-110.05	322.15	2.88	-107.17
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1N	REAL300000464908	0	36	-2.0	-118.93	334.37	4.80	-114.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C2=NC=CC=C12	REAL300000464909	0	38	-2.0	-118.81	338.28	4.47	-114.34
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C(C(=O)[O-])O1	REAL300000464910	0	35	-3.0	-162.00	331.94	3.85	-158.15
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464911	0	43	-2.0	-112.29	370.83	5.29	-107.00
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)C=C(Cl)S1	REAL300000464912	0	30	-2.0	-96.04	307.90	3.67	-92.37
NC1=C([N-]S(=O)(=O)C2=CN=CS2)C=C(F)C=C1C(=O)[O-]	REAL300000464913	0	26	-2.0	-98.19	267.93	0.41	-97.78
NC1=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C(F)C=C1C(=O)[O-]	REAL300000464914	0	37	-2.0	-102.68	327.06	2.62	-100.06
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2N)=C1	REAL300000464915	0	33	-2.0	-107.48	307.48	4.04	-103.44
CCC1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000464946	0	40	-2.0	-109.20	361.56	8.52	-100.68
CCC1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000464977	0	38	-2.0	-113.02	334.12	6.42	-106.60
CC1=CC=C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C2=C1F	REAL300000465036	0	41	-2.0	-120.80	352.85	8.65	-112.15
CC1=CC=C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1F	REAL300000465054	0	39	-2.0	-121.21	329.38	6.64	-114.57
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1	REAL300000465092	1	42	-2.0	-89.42	376.47	1.70	-87.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=CC=C1F	REAL300000465093	1	35	-2.0	-105.72	324.53	3.13	-102.59
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCO)=C1	REAL300000465094	0	43	-2.0	-107.21	379.60	4.19	-103.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465096	1	35	-2.0	-108.85	319.99	3.10	-105.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCO)=C1	REAL300000465097	0	39	-2.0	-114.29	348.13	2.90	-111.39
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1	REAL300000465098	1	39	-2.0	-95.54	351.46	4.40	-91.14
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465100	0	35	-2.0	-104.23	333.06	3.68	-100.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=CC=C1Cl	REAL300000465101	1	35	-2.0	-104.17	332.51	3.50	-100.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C(Cl)C=C1Cl	REAL300000465102	0	35	-2.0	-99.75	345.56	4.05	-95.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1C	REAL300000465103	1	41	-2.0	-111.82	352.66	4.46	-107.36
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465104	0	35	-2.0	-105.95	325.46	3.17	-102.78
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1	REAL300000465105	1	41	-2.0	-94.79	363.57	4.70	-90.09
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465106	0	32	-2.0	-102.99	313.17	2.12	-100.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCO)=C1	REAL300000465107	1	38	-2.0	-109.61	335.42	3.89	-105.72
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1C(=O)[O-]	REAL300000465109	1	36	-2.0	-107.18	326.64	2.45	-104.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465111	0	35	-2.0	-98.84	329.10	2.78	-96.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=CS1	REAL300000465113	0	32	-2.0	-104.46	311.64	2.14	-102.32
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=CC(C(=O)[O-])=C1OC	REAL300000465114	1	43	-2.0	-108.60	378.29	2.91	-105.69
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465116	1	45	-2.0	-113.72	375.23	5.73	-107.99
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCO)=C1	REAL300000465117	1	44	-2.0	-111.92	373.88	5.11	-106.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCO)=C1	REAL300000465118	1	41	-2.0	-107.91	350.13	4.82	-103.09
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCO)=C1	REAL300000465119	0	42	-2.0	-115.00	370.42	3.67	-111.33
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(CCO)=C2)=C1	REAL300000465120	0	38	-2.0	-111.97	355.11	3.53	-108.44
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465120	1	37	-3.0	-184.03	348.40	3.68	-180.35
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465121	1	42	-2.0	-113.95	364.25	5.01	-108.94
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C(C(=O)[O-])O1	REAL300000465122	0	35	-2.0	-102.49	322.99	2.24	-100.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=CC2=C1OCCO2	REAL300000465123	1	41	-2.0	-113.70	362.16	2.88	-110.82
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465124	0	39	-2.0	-109.51	348.97	2.19	-107.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=CC(Cl)=C1Cl	REAL300000465126	1	35	-2.0	-98.26	347.67	3.94	-94.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C(Cl)C=C1F	REAL300000465127	0	35	-2.0	-100.77	337.58	3.70	-97.07
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1Cl	REAL300000465128	1	39	-2.0	-92.68	367.09	3.92	-88.76
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1F	REAL300000465130	1	45	-2.0	-93.33	399.74	4.36	-88.97
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCO)=C1	REAL300000465131	1	38	-2.0	-100.05	340.70	3.92	-96.13
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1F	REAL300000465133	1	39	-2.0	-93.60	357.29	3.45	-90.15
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C(C(=O)[O-])S1	REAL300000465135	1	35	-2.0	-105.98	328.59	2.99	-102.99
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465136	0	35	-2.0	-97.92	348.21	4.12	-93.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C(Cl)=C1	REAL300000465137	0	35	-2.0	-93.42	333.04	3.67	-89.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1F	REAL300000465138	1	35	-2.0	-95.44	324.51	3.14	-92.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)S1	REAL300000465139	0	32	-2.0	-97.63	312.25	2.23	-95.40
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465140	1	35	-2.0	-99.53	326.40	3.17	-96.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1F	REAL300000465141	0	38	-2.0	-107.47	345.75	3.80	-103.67
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000465142	0	39	-2.0	-98.16	360.30	3.72	-94.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C(F)=C1	REAL300000465143	0	35	-2.0	-95.41	325.45	3.18	-92.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1Cl	REAL300000465144	1	35	-2.0	-93.56	332.49	3.52	-90.04
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCO)=C1	REAL300000465145	1	38	-2.0	-101.82	349.43	4.30	-97.52
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1	REAL300000465146	1	43	-2.0	-92.29	383.73	4.53	-87.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=CC(F)=C1F	REAL300000465147	1	35	-2.0	-97.61	330.82	3.21	-94.40
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465148	1	37	-2.0	-93.64	348.18	3.77	-89.87
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465149	0	36	-2.0	-108.42	329.70	0.82	-107.60
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(CCO)=C2)=C1	REAL300000465149	1	36	-2.0	-106.84	328.79	1.70	-105.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1	REAL300000465150	1	38	-2.0	-99.54	342.18	3.89	-95.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=CC(Cl)=C1F	REAL300000465151	1	35	-2.0	-99.13	340.70	3.65	-95.48
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCO)=C1	REAL300000465152	1	38	-2.0	-104.65	330.05	3.74	-100.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=CC(C(=O)[O-])=C1F	REAL300000465153	1	38	-2.0	-107.61	344.84	3.77	-103.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=CC=C1[N+](=O)[O-]	REAL300000465156	0	37	-2.0	-106.98	346.56	4.20	-102.78
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465157	0	35	-2.0	-97.48	331.74	3.23	-94.25
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1C(=O)[O-]	REAL300000465159	0	38	-2.0	-108.30	345.30	3.79	-104.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1Cl	REAL300000465160	0	38	-2.0	-106.11	351.75	4.24	-101.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465161	0	38	-2.0	-113.47	345.02	3.81	-109.66
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(CCO)=C1	REAL300000465164	1	38	-2.0	-97.94	346.25	4.29	-93.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1C(F)(F)F	REAL300000465165	1	38	-2.0	-92.43	350.11	3.92	-88.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000465166	1	38	-2.0	-106.06	351.21	4.07	-101.99
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1C(=O)[O-]	REAL300000465167	1	39	-2.0	-108.09	348.00	3.33	-104.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C(F)C(Cl)=C1F	REAL300000465169	0	35	-2.0	-96.13	345.59	3.66	-92.47
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1C(=O)[O-]	REAL300000465170	1	38	-2.0	-101.80	349.87	4.08	-97.72
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C(C(=O)[O-])S1	REAL300000465171	0	44	-2.0	-105.74	369.45	5.24	-100.50
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1C(=O)[O-]	REAL300000465172	0	39	-2.0	-109.81	360.31	3.73	-106.08
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C([N+](=O)[O-])=C1	REAL300000465174	0	40	-2.0	-101.23	363.25	5.31	-95.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1[N+](=O)[O-]	REAL300000465176	0	37	-2.0	-115.64	343.73	4.96	-110.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1F	REAL300000465177	0	35	-2.0	-112.64	323.65	3.15	-109.49
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C1C(=O)[O-]	REAL300000465178	1	38	-2.0	-100.04	341.17	3.68	-96.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=CC2=CC=CC=C21	REAL300000465179	1	41	-2.0	-116.80	361.03	5.23	-111.57
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C1	REAL300000465180	0	34	-2.0	-106.56	316.21	1.24	-105.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCO)=C1	REAL300000465181	0	39	-2.0	-100.40	348.18	2.91	-97.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)=C(Cl)O1	REAL300000465182	0	32	-2.0	-96.28	320.13	2.09	-94.19
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CCO)=C3)C=C2)CC1	REAL300000465183	1	42	-2.0	-102.72	366.11	4.98	-97.74
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CCO)=C3)C=C2C1	REAL300000465184	1	42	-2.0	-106.60	365.45	4.99	-101.61
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CCO)=C2)C=C(C(=O)[O-])O1	REAL300000465185	0	38	-2.0	-102.35	342.12	3.09	-99.26
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CCCO)C2=CC=C(Cl)C=C2)=C1	REAL300000465212	0	39	-2.0	-105.10	363.86	3.87	-101.23
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CO)=C2Cl)=C1	REAL300000465237	1	32	-2.0	-103.53	316.31	3.10	-100.43
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(CO)=C2Cl)=C1	REAL300000465239	1	29	-2.0	-100.73	304.03	2.05	-98.68
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CO)=C2Cl)=C1	REAL300000465244	1	32	-2.0	-97.01	319.95	2.72	-94.29
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(CO)=C2Cl)=C1	REAL300000465252	0	35	-2.0	-107.48	338.66	3.53	-103.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CO)=C2Cl)S1	REAL300000465266	1	29	-2.0	-95.69	303.10	2.17	-93.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CO)=C2Cl)=C1F	REAL300000465268	1	35	-2.0	-104.93	336.60	3.74	-101.19
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(CO)=C2Cl)=C1	REAL300000465275	0	33	-2.0	-104.71	318.13	1.59	-103.12
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CO)=C2Cl)=C1	REAL300000465283	1	32	-2.0	-95.32	322.57	3.17	-92.15
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CO)=C2Cl)=C1	REAL300000465287	1	35	-2.0	-111.17	335.88	3.73	-107.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CO)=C2Cl)=C1[N+](=O)[O-]	REAL300000465297	1	34	-2.0	-113.36	334.57	4.89	-108.47
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CO)=C2Cl)=C1F	REAL300000465298	1	32	-2.0	-110.38	314.48	3.07	-107.31
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CO)=C2Cl)=C1	REAL300000465301	0	31	-2.0	-103.40	307.83	1.09	-102.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CO)=C2Cl)=C(Cl)O1	REAL300000465303	1	29	-2.0	-94.32	310.95	2.01	-92.31
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C12	REAL300000465307	1	37	-2.0	-103.04	341.54	4.15	-98.89
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C12	REAL300000465308	1	37	-2.0	-93.24	336.98	4.11	-89.13
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C12	REAL300000465309	1	37	-2.0	-105.45	337.00	4.11	-101.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C(OC)N=CC=C12	REAL300000465310	0	41	-2.0	-110.82	365.14	3.91	-106.91
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=CC=C12	REAL300000465311	1	41	-2.0	-92.89	368.46	5.40	-87.49
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=CC=C12	REAL300000465312	1	40	-2.0	-106.55	353.01	4.65	-101.90
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=CC=C12	REAL300000465313	0	37	-2.0	-101.06	350.07	4.69	-96.37
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C12	REAL300000465314	1	37	-2.0	-101.33	349.51	4.51	-96.82
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=CC=C12	REAL300000465315	1	43	-2.0	-108.42	369.66	5.45	-102.97
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=CC=C12	REAL300000465316	0	37	-2.0	-102.73	342.47	4.18	-98.55
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=CC=C12	REAL300000465317	1	43	-2.0	-92.03	380.57	5.70	-86.33
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C12	REAL300000465318	0	34	-2.0	-99.85	330.18	3.13	-96.72
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=CC=C12	REAL300000465319	1	40	-2.0	-106.39	352.43	4.90	-101.49
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=CC=C12	REAL300000465320	1	41	-2.0	-91.54	368.08	4.39	-87.15
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=CC=C12	REAL300000465321	0	38	-2.0	-103.81	343.64	3.46	-100.35
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C=CC=C12	REAL300000465322	1	41	-2.0	-107.08	360.78	2.94	-104.14
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=CC=C12	REAL300000465323	0	37	-2.0	-95.95	346.10	3.80	-92.15
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=CC=C12	REAL300000465324	1	43	-2.0	-107.46	368.44	5.43	-102.03
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C12	REAL300000465325	0	34	-2.0	-101.29	328.65	3.15	-98.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C(OC)N=CC=C23)C=C1C(=O)[O-]	REAL300000465326	1	41	-2.0	-111.33	364.28	4.18	-107.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C(OC)N=CC=C12	REAL300000465327	1	43	-2.0	-104.65	365.26	5.77	-98.88
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=CC=C12	REAL300000465328	1	44	-2.0	-110.31	381.24	6.01	-104.30
COC1=NC=CC2=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=CC=C12	REAL300000465329	0	37	-2.0	-99.41	340.00	3.25	-96.16
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=CC=C12	REAL300000465330	0	41	-2.0	-106.35	365.92	3.19	-103.16
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=CC=C12	REAL300000465331	1	40	-2.0	-97.00	357.70	4.92	-92.08
COC1=NC=CC2=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=CC=C12	REAL300000465332	0	37	-2.0	-102.68	346.69	3.99	-98.69
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=CC=C12	REAL300000465333	0	37	-2.0	-90.70	350.05	4.68	-86.02
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C12	REAL300000465334	1	37	-2.0	-92.83	341.51	4.15	-88.68
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C12	REAL300000465335	0	34	-2.0	-94.82	329.25	3.24	-91.58
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C12	REAL300000465336	0	37	-2.0	-96.45	343.41	4.18	-92.27
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=CC=C12	REAL300000465337	0	40	-2.0	-104.15	362.74	4.81	-99.34
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=CC=C12	REAL300000465338	0	37	-2.0	-92.61	342.46	4.19	-88.42
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C12	REAL300000465339	1	37	-2.0	-90.82	349.48	4.52	-86.30
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=CC=C12	REAL300000465340	1	37	-2.0	-94.75	347.81	4.21	-90.54
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=CC=C12	REAL300000465341	0	38	-2.0	-105.34	346.71	1.82	-103.52
COC1=NC=CC2=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=CC=C12	REAL300000465341	1	38	-2.0	-105.39	341.13	2.65	-102.74
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=CC=C12	REAL300000465342	1	40	-2.0	-96.59	359.17	4.89	-91.70
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=CC=C12	REAL300000465343	1	40	-2.0	-101.56	347.03	4.74	-96.82
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=CC=C12	REAL300000465344	1	40	-2.0	-104.29	361.84	4.77	-99.52
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=CC=C12	REAL300000465345	1	40	-2.0	-93.42	352.41	4.89	-88.53
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=CC=C12	REAL300000465346	1	43	-2.0	-108.34	370.46	5.20	-103.14
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=CC=C12	REAL300000465347	0	37	-2.0	-94.49	348.73	4.24	-90.25
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=CC=C12	REAL300000465348	1	43	-2.0	-105.79	371.47	5.50	-100.29
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=CC=C12	REAL300000465349	0	40	-2.0	-104.96	362.31	4.80	-100.16
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=CC=C12	REAL300000465350	0	40	-2.0	-110.22	362.03	4.80	-105.42
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C(OC)N=CC=C23)C=C1C(=O)[O-]	REAL300000465351	1	43	-2.0	-107.30	371.32	5.30	-102.00
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C(OC)N=CC=C23)C=C1C(=O)[O-]	REAL300000465352	0	41	-2.0	-105.00	365.02	4.33	-100.67
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=CC=C12	REAL300000465353	1	40	-2.0	-93.32	353.00	4.66	-88.66
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=CC=C12	REAL300000465354	1	40	-2.0	-104.05	356.53	4.95	-99.10
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=CC=C12	REAL300000465355	0	37	-2.0	-109.47	340.62	4.13	-105.34
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=CC=C12	REAL300000465356	1	40	-2.0	-98.23	361.95	4.79	-93.44
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C12	REAL300000465357	0	36	-2.0	-102.63	333.98	2.18	-100.45
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C(OC)N=CC=C12	REAL300000465358	0	41	-2.0	-97.19	365.20	3.91	-93.28
COC1=NC=CC2=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=CC=C12	REAL300000465359	0	34	-2.0	-93.38	337.09	3.08	-90.30
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=CC=C12	REAL300000465360	1	44	-2.0	-99.68	383.12	5.99	-93.69
COC1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=CC=C12	REAL300000465361	1	44	-2.0	-102.23	381.08	5.98	-96.25
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C(OC)N=CC=C23)C=C(C(=O)[O-])O1	REAL300000465362	0	40	-2.0	-99.13	359.12	4.10	-95.03
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1F)N(C)C(=O)O2	REAL300000465366	1	38	-2.0	-108.05	349.77	4.93	-103.12
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C(F)C=C21	REAL300000465370	1	34	-2.0	-100.06	327.10	5.19	-94.87
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C(F)C=C21	REAL300000465372	0	31	-2.0	-97.78	314.81	4.17	-93.61
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)N(C)C(=O)O3)=C1	REAL300000465377	1	34	-2.0	-94.18	330.76	4.82	-89.36
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)N(C)C(=O)O3)C=C(C(=O)[O-])O1	REAL300000465382	1	34	-2.0	-97.90	324.63	4.28	-93.62
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)N(C)C(=O)O3)=C1	REAL300000465383	1	38	-2.0	-104.35	350.59	4.22	-100.13
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C(F)C=C21	REAL300000465387	1	31	-2.0	-93.07	313.88	4.27	-88.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)N(C)C(=O)O3)=C1F	REAL300000465389	1	37	-2.0	-101.41	347.38	5.83	-95.58
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C(F)C=C21	REAL300000465390	1	34	-2.0	-90.80	327.09	5.20	-85.60
CN1C(=O)OC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C(F)C=C21	REAL300000465391	0	35	-2.0	-103.66	330.20	3.61	-100.05
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)N(C)C(=O)O3)C=C1C(=O)[O-]	REAL300000465398	1	37	-2.0	-101.04	343.10	5.73	-95.31
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)N(C)C(=O)O3)=C1	REAL300000465399	1	37	-2.0	-107.80	346.66	5.82	-101.98
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C(F)C=C21	REAL300000465404	1	34	-2.0	-107.13	325.25	5.16	-101.97
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C(F)C=C21	REAL300000465406	0	33	-2.0	-100.70	317.83	3.27	-97.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1F)N(C)C(=O)O2	REAL300000465407	1	38	-2.0	-95.45	349.83	4.93	-90.52
CN1C(=O)OC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C(F)C=C21	REAL300000465408	0	31	-2.0	-91.81	321.72	4.12	-87.69
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)N(C)C(=O)O3)C=C(C(=O)[O-])O1	REAL300000465409	1	37	-2.0	-97.80	343.75	5.13	-92.67
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=C(F)C=C1F	REAL300000465412	1	37	-2.0	-102.65	344.31	3.47	-99.18
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=C(F)C=C1F	REAL300000465415	1	33	-2.0	-108.90	312.84	2.18	-106.72
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)=C1	REAL300000465422	1	29	-2.0	-101.06	290.16	2.44	-98.62
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)=C1	REAL300000465424	0	26	-2.0	-97.97	277.89	1.41	-96.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)=C1	REAL300000465429	1	29	-2.0	-94.62	293.81	2.07	-92.55
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=C(F)C=C1F	REAL300000465437	1	36	-2.0	-108.93	335.12	2.95	-105.98
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(O)=C(F)C=C2F)=CC(C(=O)[O-])=C1	REAL300000465438	0	32	-2.0	-108.84	317.63	2.78	-106.06
CC1=C(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)C=C(C(=O)[O-])O1	REAL300000465440	1	29	-2.0	-98.20	287.70	1.53	-96.67
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)=C1	REAL300000465452	1	29	-2.0	-93.58	312.92	3.41	-90.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)S1	REAL300000465455	1	26	-2.0	-93.46	276.96	1.52	-91.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)=C1F	REAL300000465457	1	32	-2.0	-102.16	310.45	3.08	-99.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)C(F)=C1	REAL300000465459	1	29	-2.0	-90.93	290.16	2.46	-88.47
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC([O-])=C(F)C=C2F)=C1	REAL300000465464	1	31	-2.0	-88.03	313.90	3.66	-84.37
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(O)=C(F)C=C2F)=C1	REAL300000465465	0	30	-2.0	-99.56	297.09	0.85	-98.71
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)=C1	REAL300000465473	1	29	-2.0	-92.81	296.43	2.51	-90.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000465475	1	32	-2.0	-103.05	310.01	3.08	-99.97
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)=C1	REAL300000465477	1	32	-2.0	-108.16	309.74	3.07	-105.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)=C(F)C(Cl)=C1F	REAL300000465485	1	29	-2.0	-91.73	310.30	2.93	-88.80
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)C([N+](=O)[O-])=C1	REAL300000465490	0	34	-2.0	-96.04	325.41	4.54	-91.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)=C1[N+](=O)[O-]	REAL300000465492	0	31	-2.0	-110.61	308.42	4.23	-106.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)=C1F	REAL300000465493	1	29	-2.0	-107.66	288.33	2.40	-105.26
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)=C1	REAL300000465496	0	28	-2.0	-101.64	281.68	0.45	-101.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)=C(Cl)O1	REAL300000465498	1	26	-2.0	-92.03	284.80	1.37	-90.66
CCC1=C(S(=O)(=O)[N-]C2=CC(O)=C(F)C=C2F)C=C(C(=O)[O-])O1	REAL300000465501	1	32	-2.0	-98.10	306.81	2.38	-95.72
CN(C1=CC=C(C2=NC=CS2)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000465518	0	38	-2.0	-107.69	357.42	5.96	-101.73
C=COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300000465553	1	40	-2.0	-86.98	363.77	3.89	-83.09
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1	REAL300000465555	0	41	-2.0	-104.38	366.94	6.39	-97.99
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=C1	REAL300000465556	1	33	-2.0	-100.86	323.73	6.01	-94.85
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000465559	0	37	-2.0	-111.21	335.46	5.09	-106.12
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000465563	0	33	-2.0	-101.48	320.38	5.88	-95.60
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=C1	REAL300000465565	0	33	-2.0	-97.07	332.88	6.25	-90.82
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000465567	0	33	-2.0	-102.88	312.79	5.37	-97.51
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000465569	0	30	-2.0	-99.87	300.49	4.32	-95.55
C=COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000465572	1	34	-2.0	-103.91	313.96	4.66	-99.25
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000465574	0	33	-2.0	-95.42	316.45	4.99	-90.43
C=COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000465576	1	30	-2.0	-101.19	298.96	4.34	-96.85
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000465582	0	40	-2.0	-111.30	357.74	5.86	-105.44
C=COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000465583	0	36	-2.0	-108.50	338.42	5.82	-102.68
C=COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000465585	0	33	-2.0	-99.82	310.35	4.44	-95.38
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000465587	0	37	-2.0	-105.99	336.28	4.39	-101.60
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000465589	1	33	-2.0	-95.12	334.99	6.15	-88.97
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000465590	1	33	-2.0	-98.22	324.90	5.90	-92.32
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000465594	1	36	-2.0	-97.42	328.02	6.12	-91.30
C=COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000465598	1	33	-2.0	-103.36	315.91	5.19	-98.17
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C1	REAL300000465599	0	33	-2.0	-95.14	335.54	6.32	-88.82
C=COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000465600	1	33	-2.0	-90.85	320.36	5.86	-84.99
C=COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=C1	REAL300000465601	1	33	-2.0	-90.40	323.71	6.00	-84.40
C=COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000465602	1	33	-2.0	-92.75	311.85	5.34	-87.41
C=COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000465603	0	30	-2.0	-94.82	299.58	4.43	-90.39
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000465604	1	33	-2.0	-96.46	313.72	5.37	-91.09
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000465605	0	36	-2.0	-104.32	333.07	6.01	-98.31
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000465606	0	37	-2.0	-95.45	347.62	5.92	-89.53
C=COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000465607	0	33	-2.0	-92.46	312.77	5.37	-87.09
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000465609	1	36	-2.0	-99.17	336.76	6.51	-92.66
C=COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1	REAL300000465610	1	41	-2.0	-89.74	371.04	6.71	-83.03
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000465612	1	33	-2.0	-94.58	318.13	5.40	-89.18
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000465613	1	35	-2.0	-90.63	335.50	5.97	-84.66
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000465614	0	34	-2.0	-105.95	317.02	3.02	-102.93
C=COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000465614	1	34	-2.0	-105.02	316.14	3.80	-101.22
C=COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000465621	1	35	-2.0	-104.03	333.85	6.38	-97.65
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000465622	0	33	-2.0	-94.49	319.07	5.43	-89.06
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000465624	0	36	-2.0	-103.80	328.58	5.89	-97.91
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000465625	0	36	-2.0	-103.20	339.07	6.44	-96.76
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000465626	0	36	-2.0	-109.85	332.32	6.00	-103.85
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000465629	1	36	-2.0	-95.51	337.37	6.53	-88.98
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1	REAL300000465632	1	33	-2.0	-98.27	328.60	5.92	-92.35
C=COC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000465633	1	37	-2.0	-105.18	335.33	5.52	-99.66
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=C1	REAL300000465635	0	33	-2.0	-93.31	332.89	5.86	-87.45
C=COC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1	REAL300000465637	1	42	-2.0	-102.79	356.93	7.42	-95.37
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1	REAL300000465638	1	37	-2.0	-107.04	347.64	5.93	-101.11
C=COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300000465640	0	38	-2.0	-96.80	350.70	7.46	-89.34
C=COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000465642	0	35	-2.0	-112.33	331.07	7.16	-105.17
C=COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000465643	0	33	-2.0	-109.21	310.97	5.33	-103.88
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000465644	1	36	-2.0	-97.98	331.81	5.97	-92.01
C=COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000465645	1	39	-2.0	-113.66	348.34	7.42	-106.24
C=COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000465646	0	32	-2.0	-102.56	303.52	3.42	-99.14
C=COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000465647	0	37	-2.0	-97.44	335.52	5.10	-92.34
C=COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000465648	0	30	-2.0	-93.55	307.47	4.28	-89.27
C=COC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000465651	0	36	-2.0	-99.82	329.44	5.29	-94.53
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(OC)=C1Cl	REAL300000465652	1	36	-2.0	-100.42	344.49	4.24	-96.18
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(OC)=C1Cl	REAL300000465653	1	36	-2.0	-90.78	339.93	4.22	-86.56
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(OC)=C1Cl	REAL300000465654	1	36	-2.0	-102.71	339.95	4.20	-98.51
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC(OC)=C1Cl	REAL300000465655	1	40	-2.0	-90.85	371.40	5.51	-85.34
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(OC)=C1Cl	REAL300000465656	1	39	-2.0	-103.70	355.96	4.75	-98.95
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC(OC)=C1Cl	REAL300000465657	1	42	-2.0	-105.70	372.34	5.52	-100.18
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(OC)=C1Cl	REAL300000465658	0	36	-2.0	-99.85	345.42	4.28	-95.57
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC(OC)=C1Cl	REAL300000465659	1	42	-2.0	-90.02	383.52	5.79	-84.23
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(OC)=C1Cl	REAL300000465660	0	33	-2.0	-97.14	333.12	3.23	-93.91
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(OC)=C1Cl	REAL300000465661	1	39	-2.0	-103.81	355.37	5.00	-98.81
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(OC)=C1Cl	REAL300000465662	0	37	-2.0	-101.14	346.59	3.57	-97.57
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC(OC)=C1Cl	REAL300000465663	0	36	-2.0	-93.33	349.05	3.90	-89.43
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC(OC)=C1Cl	REAL300000465664	1	42	-2.0	-105.31	371.01	5.56	-99.75
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(OC)=C1Cl	REAL300000465665	0	33	-2.0	-98.59	331.59	3.24	-95.35
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=C(Cl)C(OC)=C1	REAL300000465666	1	42	-2.0	-102.47	370.08	5.93	-96.54
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC(OC)=C1Cl	REAL300000465667	0	36	-2.0	-97.12	342.95	3.36	-93.76
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC(OC)=C1Cl	REAL300000465668	0	36	-2.0	-100.45	348.57	4.10	-96.35
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(OC)=C1Cl	REAL300000465669	1	36	-2.0	-90.42	344.48	4.25	-86.17
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(OC)=C1Cl	REAL300000465670	0	33	-2.0	-92.27	332.21	3.34	-88.93
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(OC)=C1Cl	REAL300000465671	0	36	-2.0	-93.75	346.36	4.28	-89.47
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(OC)=C1Cl	REAL300000465672	0	36	-2.0	-90.03	345.40	4.28	-85.75
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(OC)=C1Cl	REAL300000465673	0	37	-2.0	-102.77	349.66	1.93	-100.84
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(OC)=C1Cl	REAL300000465673	1	37	-2.0	-102.59	345.42	2.74	-99.85
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(OC)=C1Cl	REAL300000465674	1	39	-2.0	-94.70	362.12	4.99	-89.71
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(OC)=C1Cl	REAL300000465675	1	39	-2.0	-99.95	353.79	4.95	-95.00
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC(OC)=C1Cl	REAL300000465676	1	39	-2.0	-91.15	355.35	4.98	-86.17
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC(OC)=C1Cl	REAL300000465677	1	42	-2.0	-105.53	372.82	5.28	-100.25
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC(OC)=C1Cl	REAL300000465678	1	42	-2.0	-103.33	373.33	5.62	-97.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(Cl)C(OC)=C2)C=C1C(=O)[O-]	REAL300000465679	1	42	-2.0	-104.44	373.91	5.40	-99.04
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(Cl)C(OC)=C2)C=C1C(=O)[O-]	REAL300000465680	0	40	-2.0	-102.33	367.89	4.41	-97.92
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(OC)=C1Cl	REAL300000465681	1	39	-2.0	-92.36	360.01	4.86	-87.50
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(OC)=C1Cl	REAL300000465682	0	36	-2.0	-106.55	343.60	4.25	-102.30
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(OC)=C1Cl	REAL300000465683	0	35	-2.0	-99.77	336.93	2.27	-97.50
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(OC)=C1Cl	REAL300000465684	0	33	-2.0	-90.97	340.09	3.19	-87.78
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=C(Cl)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000465685	0	39	-2.0	-97.09	362.06	4.20	-92.89
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1SC	REAL300000465688	1	36	-2.0	-106.41	334.58	5.34	-101.07
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1SC	REAL300000465689	0	40	-2.0	-111.97	362.72	5.15	-106.82
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1SC	REAL300000465692	0	36	-2.0	-102.20	347.65	5.91	-96.29
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1SC	REAL300000465693	1	36	-2.0	-102.26	347.09	5.74	-96.52
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1SC	REAL300000465695	0	36	-2.0	-103.68	340.06	5.41	-98.27
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1SC	REAL300000465696	1	42	-2.0	-93.09	378.14	6.94	-86.15
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1SC	REAL300000465697	0	33	-2.0	-100.69	327.77	4.36	-96.33
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1SC	REAL300000465700	1	37	-2.0	-104.83	341.23	4.69	-100.14
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1SC	REAL300000465702	0	36	-2.0	-96.92	343.70	5.03	-91.89
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1SC	REAL300000465704	1	33	-2.0	-102.12	326.23	4.38	-97.74
COC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1SC	REAL300000465708	0	43	-2.0	-112.34	385.01	5.91	-106.43
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1SC	REAL300000465709	0	39	-2.0	-109.83	365.46	5.90	-103.93
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1SC	REAL300000465709	1	38	-3.0	-180.80	362.99	5.91	-174.89
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1SC	REAL300000465711	0	36	-2.0	-100.51	337.59	4.48	-96.03
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1SC	REAL300000465712	0	40	-2.0	-107.38	363.56	4.45	-102.93
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1SC	REAL300000465714	1	39	-2.0	-98.06	355.29	6.17	-91.89
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1SC	REAL300000465716	1	36	-2.0	-103.90	343.18	5.23	-98.67
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1SC	REAL300000465717	1	36	-2.0	-91.76	347.63	5.91	-85.85
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1SC	REAL300000465718	1	36	-2.0	-93.62	339.10	5.39	-88.23
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1SC	REAL300000465719	0	33	-2.0	-95.72	326.85	4.47	-91.25
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1SC	REAL300000465720	1	36	-2.0	-97.29	340.99	5.41	-91.88
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1SC	REAL300000465721	0	39	-2.0	-105.02	360.35	6.05	-98.97
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1SC	REAL300000465722	0	36	-2.0	-93.47	340.04	5.42	-88.05
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1SC	REAL300000465724	1	36	-2.0	-95.47	345.40	5.44	-90.03
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1SC	REAL300000465725	1	38	-2.0	-91.52	362.77	6.02	-85.50
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1SC	REAL300000465726	0	37	-2.0	-106.43	344.29	3.06	-103.37
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1SC	REAL300000465726	1	37	-2.0	-105.26	343.48	3.87	-101.39
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1SC	REAL300000465727	1	39	-2.0	-97.73	356.75	6.14	-91.59
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1SC	REAL300000465732	1	38	-2.0	-104.81	361.14	6.44	-98.37
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1SC	REAL300000465733	0	36	-2.0	-95.35	346.34	5.48	-89.87
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1SC	REAL300000465735	0	39	-2.0	-104.77	356.06	5.95	-98.82
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1SC	REAL300000465736	0	39	-2.0	-110.99	359.61	6.04	-104.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C(SC)=C2)C=C1C(=O)[O-]	REAL300000465739	1	40	-2.0	-106.04	362.59	5.56	-100.48
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1SC	REAL300000465742	0	38	-2.0	-113.39	358.30	7.19	-106.20
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1SC	REAL300000465743	0	36	-2.0	-110.29	338.20	5.37	-104.92
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1SC	REAL300000465744	1	39	-2.0	-99.04	359.52	6.03	-93.01
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1SC	REAL300000465745	0	35	-2.0	-103.66	331.57	3.40	-100.26
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1SC	REAL300000465746	0	40	-2.0	-98.32	362.78	5.15	-93.17
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1SC	REAL300000465747	0	33	-2.0	-94.32	334.72	4.32	-90.00
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1SC	REAL300000465748	1	43	-2.0	-100.72	380.70	7.24	-93.48
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1SC	REAL300000465749	1	43	-2.0	-103.87	380.02	7.23	-96.64
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C(SC)=C2)C=C(C(=O)[O-])O1	REAL300000465750	0	39	-2.0	-100.48	356.71	5.33	-95.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=CC=C1F	REAL300000465751	0	32	-2.0	-106.28	309.20	4.66	-101.62
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(F)F	REAL300000465752	0	40	-2.0	-107.41	364.29	5.72	-101.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1	REAL300000465753	0	32	-2.0	-96.33	304.65	4.63	-91.70
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1	REAL300000465754	0	32	-2.0	-108.84	304.67	4.62	-104.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(F)F	REAL300000465755	0	36	-2.0	-114.27	332.81	4.42	-109.85
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1	REAL300000465756	0	36	-2.0	-95.96	336.12	5.92	-90.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000465757	0	35	-2.0	-110.06	320.69	5.16	-104.90
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1	REAL300000465758	0	32	-2.0	-104.22	317.74	5.21	-99.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=CC=C1Cl	REAL300000465759	0	32	-2.0	-104.69	317.18	5.02	-99.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1C	REAL300000465760	0	38	-2.0	-111.41	337.78	5.95	-105.46
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1	REAL300000465761	0	32	-2.0	-106.10	310.15	4.69	-101.41
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1	REAL300000465762	0	38	-2.0	-95.29	348.25	6.21	-89.08
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1	REAL300000465763	0	29	-2.0	-103.28	297.85	3.64	-99.64
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(F)F	REAL300000465764	0	35	-2.0	-109.56	320.11	5.41	-104.15
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1	REAL300000465765	0	36	-2.0	-94.62	335.74	4.91	-89.71
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000465766	0	33	-2.0	-107.22	311.32	3.97	-103.25
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(F)F	REAL300000465767	0	36	-2.0	-110.27	328.45	3.46	-106.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1	REAL300000465768	0	32	-2.0	-99.23	313.81	4.31	-94.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000465769	0	38	-2.0	-110.80	336.12	5.95	-104.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=CS1	REAL300000465770	0	29	-2.0	-104.68	296.32	3.66	-101.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000465771	0	36	-2.0	-114.76	331.96	4.69	-110.07
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1	REAL300000465772	0	42	-2.0	-113.52	359.91	7.25	-106.27
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(F)F	REAL300000465773	0	41	-2.0	-111.69	358.57	6.64	-105.05
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(F)F	REAL300000465774	0	38	-2.0	-107.63	334.79	6.35	-101.28
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(F)F	REAL300000465775	0	39	-2.0	-114.78	355.10	5.19	-109.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300000465776	0	34	-3.0	-183.81	333.08	5.19	-178.62
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300000465776	1	35	-2.0	-109.25	333.10	5.13	-104.12
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1	REAL300000465777	0	39	-2.0	-113.83	348.92	6.52	-107.31
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000465778	0	32	-2.0	-102.64	307.68	3.76	-98.88
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1	REAL300000465779	0	36	-2.0	-109.61	333.66	3.71	-105.90
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3OC(F)F)C=C2C1	REAL300000465780	0	40	-2.0	-95.28	357.58	5.23	-90.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C(Cl)C=C1F	REAL300000465781	0	32	-2.0	-100.96	322.26	5.22	-95.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=CC=C1OCC(=O)[O-]	REAL300000465782	0	39	-2.0	-95.14	355.83	5.62	-89.52
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(F)F	REAL300000465783	0	35	-2.0	-100.18	325.38	5.44	-94.74
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1F	REAL300000465784	0	36	-2.0	-94.07	341.97	4.97	-89.10
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000465785	0	39	-2.0	-115.40	353.80	5.60	-109.80
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300000465786	0	32	-2.0	-105.99	313.30	4.52	-101.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C(Cl)=C1	REAL300000465787	0	32	-2.0	-93.72	317.72	5.20	-88.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1F	REAL300000465788	0	32	-2.0	-95.80	309.18	4.67	-91.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)S1	REAL300000465789	0	29	-2.0	-98.14	296.93	3.75	-94.39
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1	REAL300000465790	0	32	-2.0	-99.72	311.08	4.69	-95.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1F	REAL300000465791	0	35	-2.0	-107.59	330.42	5.32	-102.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C(F)=C1	REAL300000465792	0	32	-2.0	-95.76	310.14	4.70	-91.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1Cl	REAL300000465793	0	32	-2.0	-93.90	317.16	5.03	-88.87
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(F)F	REAL300000465794	0	35	-2.0	-101.79	334.11	5.83	-95.96
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1	REAL300000465795	0	40	-2.0	-92.88	368.41	6.04	-86.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=CC(F)=C1F	REAL300000465796	0	32	-2.0	-97.80	315.49	4.72	-93.08
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1	REAL300000465797	0	34	-2.0	-93.90	332.86	5.30	-88.60
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1	REAL300000465798	0	33	-2.0	-108.39	314.38	2.34	-106.05
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1	REAL300000465799	0	35	-2.0	-100.07	326.85	5.40	-94.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=CC(Cl)=C1F	REAL300000465800	0	32	-2.0	-99.27	325.38	5.16	-94.11
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(F)F	REAL300000465801	0	35	-2.0	-104.80	314.71	5.25	-99.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=CC(C(=O)[O-])=C1F	REAL300000465802	0	35	-2.0	-107.65	329.50	5.28	-102.37
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(F)F	REAL300000465803	0	35	-2.0	-96.42	320.08	5.40	-91.02
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=CC(C(=O)[O-])=C1C	REAL300000465804	0	38	-2.0	-111.98	337.55	5.69	-106.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=CC=C1[N+](=O)[O-]	REAL300000465805	0	34	-2.0	-107.05	331.22	5.72	-101.33
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1	REAL300000465806	0	32	-2.0	-97.79	316.41	4.75	-93.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C(C)=C1C(=O)[O-]	REAL300000465807	0	38	-2.0	-109.16	338.20	6.04	-103.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000465808	0	35	-2.0	-107.32	326.15	5.23	-102.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1Cl	REAL300000465809	0	35	-2.0	-106.08	336.45	5.76	-100.32
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1	REAL300000465810	0	35	-2.0	-113.63	329.68	5.32	-108.31
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000465811	0	38	-2.0	-110.84	338.64	5.81	-105.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1CC(=O)[O-]	REAL300000465812	0	39	-2.0	-111.05	355.13	4.76	-106.29
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(F)F	REAL300000465813	0	35	-2.0	-98.12	330.93	5.81	-92.31
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=CC(C(=O)[O-])=C1Cl	REAL300000465814	0	35	-2.0	-106.50	335.89	5.58	-100.92
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000465815	0	36	-2.0	-108.44	332.70	4.84	-103.60
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C(C)=C1CC(=O)[O-]	REAL300000465816	0	44	-2.0	-108.94	369.82	7.48	-101.46
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000465817	0	35	-2.0	-102.24	334.54	5.59	-96.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000465818	0	35	-2.0	-97.97	324.72	5.27	-92.70
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(F)F	REAL300000465819	0	35	-2.0	-106.86	324.62	5.44	-101.42
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1[N+](=O)[O-]	REAL300000465820	0	34	-2.0	-115.73	328.42	6.49	-109.24
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1F	REAL300000465821	0	32	-2.0	-112.82	308.31	4.65	-108.17
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000465822	0	35	-2.0	-100.55	325.83	5.20	-95.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=CC2=CC=CC=C21	REAL300000465823	0	38	-2.0	-117.18	345.71	6.75	-110.43
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C1	REAL300000465824	0	31	-2.0	-106.65	300.88	2.74	-103.91
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC(F)F	REAL300000465825	0	36	-2.0	-100.48	332.88	4.42	-96.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)=C(Cl)O1	REAL300000465826	0	29	-2.0	-96.61	304.78	3.59	-93.02
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3OC(F)F)C=C2)CC1	REAL300000465827	0	39	-2.0	-102.94	350.80	6.51	-96.43
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3OC(F)F)C=C2C1	REAL300000465828	0	39	-2.0	-105.59	348.76	6.49	-99.10
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000465829	0	35	-2.0	-102.30	326.80	4.61	-97.69
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000465830	1	38	-2.0	-130.33	350.72	3.35	-126.98
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000465831	1	38	-2.0	-120.85	346.16	3.33	-117.52
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000465832	1	38	-2.0	-133.51	346.18	3.32	-130.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N=S(C)(C)=O)=C1	REAL300000465833	0	42	-2.0	-140.92	374.32	3.12	-137.80
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000465834	1	42	-2.0	-120.18	377.63	4.62	-115.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000465835	1	41	-2.0	-134.86	362.20	3.87	-130.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)=C1C	REAL300000465836	1	44	-2.0	-137.96	378.86	4.67	-133.29
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000465837	0	38	-2.0	-130.98	351.66	3.39	-127.59
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000465838	1	44	-2.0	-119.42	389.75	4.91	-114.51
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000465839	0	35	-2.0	-128.73	339.37	2.35	-126.38
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N=S(C)(C)=O)=C1	REAL300000465840	1	41	-2.0	-135.71	361.61	4.11	-131.60
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000465841	1	42	-2.0	-118.72	377.26	3.61	-115.11
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000465842	0	39	-2.0	-131.95	352.83	2.67	-129.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)=C1	REAL300000465844	0	38	-2.0	-124.39	355.29	3.02	-121.37
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000465845	1	44	-2.0	-135.62	377.25	4.66	-130.96
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000465846	0	35	-2.0	-128.95	337.83	2.35	-126.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000465847	1	42	-2.0	-141.30	373.46	3.40	-137.90
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N=S(C)(C)=O)=C1	REAL300000465848	1	44	-2.0	-133.63	376.33	5.05	-128.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000465849	0	38	-2.0	-127.70	349.19	2.47	-125.23
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)=C1	REAL300000465850	0	42	-2.0	-134.54	375.17	2.42	-132.12
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)C=C(C(=O)[O-])S1	REAL300000465851	0	38	-2.0	-130.03	354.78	3.22	-126.81
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000465852	1	38	-2.0	-120.10	350.69	3.36	-116.74
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000465853	0	35	-2.0	-122.92	338.45	2.45	-120.47
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000465854	1	38	-2.0	-125.35	352.59	3.39	-121.96
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000465855	0	38	-2.0	-120.70	351.65	3.39	-117.31
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000465856	0	39	-2.0	-132.67	355.89	1.03	-131.64
CS(C)(=O)=NC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000465856	1	39	-2.0	-124.04	355.00	1.92	-122.12
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000465857	1	41	-2.0	-124.57	368.35	4.11	-120.46
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N=S(C)(C)=O)=C1	REAL300000465858	1	41	-2.0	-131.50	356.25	3.97	-127.53
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N=S(C)(C)=O)=C1	REAL300000465859	1	41	-2.0	-120.59	361.59	4.09	-116.50
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000465860	1	44	-2.0	-140.19	382.98	4.49	-135.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)C(C)=C1C(=O)[O-]	REAL300000465861	1	44	-2.0	-135.92	379.57	4.73	-131.19
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000465862	1	44	-2.0	-135.59	380.12	4.52	-131.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000465863	0	42	-2.0	-134.75	374.19	3.53	-131.22
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)=CC=C1C(=O)[O-]	REAL300000465864	1	41	-2.0	-121.22	362.19	3.87	-117.35
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000465865	0	38	-2.0	-137.98	349.84	3.36	-134.62
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000465866	0	37	-2.0	-132.78	342.40	1.46	-131.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N=S(C)(C)=O)=C1	REAL300000465867	0	42	-2.0	-125.71	374.38	3.13	-122.58
CS(C)(=O)=NC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000465868	0	35	-2.0	-120.42	346.33	2.31	-118.11
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N=S(C)(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000465869	0	41	-2.0	-127.41	368.31	3.32	-124.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)=CC=C1F	REAL300000465886	0	31	-2.0	-100.16	326.50	5.14	-95.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)C=C1	REAL300000465887	0	31	-2.0	-90.46	321.95	5.12	-85.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)=C1	REAL300000465888	0	31	-2.0	-102.42	321.97	5.11	-97.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000465889	0	34	-2.0	-104.64	342.04	5.76	-98.88
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)=C1	REAL300000465890	0	31	-2.0	-100.21	327.44	5.18	-95.03
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)=C1	REAL300000465891	0	28	-2.0	-96.60	315.15	4.13	-92.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC(F)(F)F)N=C1	REAL300000465892	0	34	-2.0	-104.46	337.40	5.89	-98.57
CN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000465893	0	32	-2.0	-100.75	328.62	4.47	-96.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)=C1	REAL300000465894	0	31	-2.0	-93.06	331.08	4.80	-88.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)=CS1	REAL300000465895	0	28	-2.0	-98.06	313.62	4.15	-93.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000465896	0	31	-2.0	-97.39	324.98	4.26	-93.13
CC1=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)C=C(C(=O)[O-])S1	REAL300000465897	0	31	-2.0	-100.87	330.57	5.01	-95.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)C=C1F	REAL300000465898	0	31	-2.0	-90.14	326.48	5.16	-84.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)S1	REAL300000465899	0	28	-2.0	-91.75	314.24	4.23	-87.52
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)=C1	REAL300000465900	0	31	-2.0	-93.44	328.37	5.18	-88.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)C(F)=C1	REAL300000465901	0	31	-2.0	-89.59	327.42	5.18	-84.41
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)=C1	REAL300000465902	0	32	-2.0	-103.76	331.68	2.83	-100.93
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)C=C1	REAL300000465903	0	34	-2.0	-93.72	344.15	5.89	-87.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(F)(F)F)N=C1	REAL300000465904	0	34	-2.0	-97.96	332.01	5.74	-92.22
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(SC(F)(F)F)N=C1	REAL300000465905	0	34	-2.0	-91.09	337.38	5.88	-85.21
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000465906	0	35	-2.0	-101.96	349.99	5.32	-96.64
CC1=CC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000465907	0	34	-2.0	-90.47	337.97	5.66	-84.81
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)=C1F	REAL300000465908	0	31	-2.0	-105.48	325.63	5.14	-100.34
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)=C1	REAL300000465909	0	30	-2.0	-99.88	318.19	3.24	-96.64
CCC1=C(S(=O)(=O)[N-]C2=CC=C(SC(F)(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000465910	0	34	-2.0	-97.39	344.10	5.11	-92.28
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465911	0	41	-2.0	-134.19	371.55	3.31	-130.88
COC1=CC([N-]S(=O)(=O)C2=CC=CS2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465912	0	35	-2.0	-130.46	342.08	1.64	-128.82
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465913	1	41	-2.0	-133.45	371.50	3.30	-130.15
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465914	0	38	-2.0	-133.04	350.14	2.64	-130.40
COC1=CC([N-]S(C)(=O)=O)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465915	1	31	-2.0	-123.57	291.90	-0.52	-124.09
COC(=O)CCS(=O)(=O)[N-]C1=CC(OC)=C(S(C)(=O)=O)C=C1C(=O)[O-]	REAL300000465916	0	40	-2.0	-128.10	368.82	1.21	-126.89
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465917	0	38	-2.0	-128.55	354.69	0.35	-128.20
COC1=CC([N-]S(=O)(=O)C2=CNN=C2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465918	0	35	-2.0	-125.30	331.73	-0.96	-126.26
COC1=CC([N-]S(=O)(=O)C2=CN(C)C=N2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465919	0	38	-2.0	-140.03	354.16	1.74	-138.29
COC1=CC([N-]S(=O)(=O)C2=CNN=C2C)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465920	0	38	-2.0	-126.61	350.53	-0.31	-126.92
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465921	0	41	-2.0	-132.01	365.58	3.39	-128.62
COC1=CC([N-]S(=O)(=O)C2CC2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465922	1	35	-2.0	-128.89	322.81	1.23	-127.66
COC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465923	0	38	-2.0	-138.95	354.99	0.17	-138.78
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465924	0	38	-2.0	-124.32	350.39	0.27	-124.05
COCCS(=O)(=O)[N-]C1=CC(OC)=C(S(C)(=O)=O)C=C1C(=O)[O-]	REAL300000465925	0	38	-2.0	-124.91	347.03	-0.55	-125.46
COC1=CC([N-]S(=O)(=O)CC2CCCO2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465926	0	42	-2.0	-132.15	369.50	0.85	-131.30
COC1=CC([N-]S(=O)(=O)C2=CNC=N2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465928	0	35	-2.0	-137.67	331.45	0.04	-137.63
COC1=CC([N-]S(=O)(=O)CCOC(C)C)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465935	0	44	-2.0	-125.85	389.16	1.16	-124.69
COC1=CC([N-]S(=O)(=O)CCC(C)(C)C)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465936	1	46	-2.0	-127.39	390.09	2.87	-124.52
COC1=CC([N-]S(=O)(=O)CCC2CC2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465938	1	41	-2.0	-126.46	366.48	2.74	-123.72
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)O2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465940	0	38	-2.0	-132.37	354.74	1.45	-130.92
COC1=CC([N-]S(=O)(=O)C2=CC=CO2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465941	0	35	-2.0	-130.73	332.83	0.63	-130.10
COC1=CC([N-]S(=O)(=O)C2=CN=NN2C)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465942	0	37	-2.0	-118.83	343.52	-0.91	-119.74
COC1=CC([N-]S(=O)(=O)CCCCCl)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465943	1	40	-2.0	-125.18	373.51	2.57	-122.61
CCCC(CC)S(=O)(=O)[N-]C1=CC(OC)=C(S(C)(=O)=O)C=C1C(=O)[O-]	REAL300000465944	1	46	-2.0	-129.70	389.16	3.37	-126.33
COC1=CC([N-]S(=O)(=O)C2=CCCCC2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465945	1	42	-2.0	-131.46	365.45	2.91	-128.55
COC1=CC([N-]S(=O)(=O)CC(C)OC)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465946	0	41	-2.0	-129.19	366.14	0.40	-128.79
COC1=CC([N-]S(=O)(=O)C2=CSC=C2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465948	0	35	-2.0	-128.11	341.21	1.53	-126.58
COC1=CC([N-]S(=O)(=O)C2=COC=C2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465949	0	35	-2.0	-128.70	332.68	0.53	-128.17
COCC1(S(=O)(=O)[N-]C2=CC(OC)=C(S(C)(=O)=O)C=C2C(=O)[O-])CC1	REAL300000465950	0	42	-2.0	-127.50	361.63	2.04	-125.46
COC1=CC([N-]S(=O)(=O)C2=NC=CN2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465951	0	35	-2.0	-133.13	331.77	-0.78	-133.91
COC1=CC([N-]S(=O)(=O)CCCCF)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465953	1	40	-2.0	-125.57	362.95	2.09	-123.48
CCC(CS(=O)(=O)[N-]C1=CC(OC)=C(S(C)(=O)=O)C=C1C(=O)[O-])OC	REAL300000465954	0	44	-2.0	-128.86	385.27	1.17	-127.69
COC1=CC([N-]S(=O)(=O)C2=CON=C2C)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465955	0	37	-2.0	-121.60	347.09	0.60	-121.00
COC1=CC([N-]S(=O)(=O)C2=CC=NS2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465956	0	34	-2.0	-123.51	336.84	0.33	-123.18
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=N2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465957	0	37	-2.0	-134.18	348.94	-1.04	-135.22
COC1=CC([N-]S(=O)(=O)C2=C(C)NC=N2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465958	0	38	-2.0	-139.38	349.26	0.74	-138.64
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CO2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465960	0	38	-2.0	-131.41	354.73	1.31	-130.10
COC1=CC([N-]S(=O)(=O)C2=CSN=C2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465961	0	34	-2.0	-121.65	335.80	0.24	-121.41
COC1=CC([N-]S(=O)(=O)C2=CN=CS2)=C(C(=O)[O-])C=C1S(C)(=O)=O	REAL300000465962	0	34	-2.0	-126.57	336.73	-0.24	-126.81
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000465963	1	40	-2.0	-113.03	364.20	6.95	-106.08
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000465965	1	40	-2.0	-115.91	359.69	6.92	-108.99
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000465966	0	44	-2.0	-120.57	387.81	6.73	-113.84
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000465967	1	44	-2.0	-101.48	391.13	8.23	-93.25
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000465969	1	46	-2.0	-117.63	392.07	8.24	-109.39
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000465970	0	40	-2.0	-109.58	365.14	7.00	-102.58
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000465971	1	46	-2.0	-101.11	403.24	8.51	-92.60
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000465972	0	37	-2.0	-106.81	352.85	5.95	-100.86
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000465973	1	43	-2.0	-115.73	375.11	7.72	-108.01
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000465975	1	41	-2.0	-113.86	366.33	6.29	-107.57
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000465977	0	40	-2.0	-105.38	368.78	6.61	-98.77
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000465979	0	37	-2.0	-108.29	351.32	5.96	-102.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)C(=O)OC)C=C1	REAL300000465981	1	46	-2.0	-111.65	389.80	8.65	-103.00
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000465982	0	40	-2.0	-108.36	362.71	6.07	-102.29
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000465983	0	44	-2.0	-116.71	388.65	6.02	-110.69
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000465984	1	43	-2.0	-106.04	380.38	7.75	-98.29
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000465985	1	40	-2.0	-109.67	368.27	6.82	-102.85
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000465986	0	40	-2.0	-99.55	372.72	7.49	-92.06
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000465987	1	40	-2.0	-101.21	364.21	6.97	-94.24
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000465988	0	37	-2.0	-104.07	351.94	6.05	-98.02
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000465989	1	40	-2.0	-106.21	366.08	7.00	-99.21
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000465990	0	43	-2.0	-113.69	385.43	7.64	-106.05
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000465991	0	40	-2.0	-101.64	365.13	7.00	-94.64
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000465992	1	40	-2.0	-99.41	372.17	7.33	-92.08
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000465993	0	41	-2.0	-111.99	369.38	4.64	-107.35
COC(=O)C(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000465993	1	41	-2.0	-112.94	368.56	5.43	-107.51
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000465994	1	43	-2.0	-106.14	381.84	7.71	-98.43
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000465995	1	43	-2.0	-109.09	373.48	7.67	-101.42
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000465996	1	43	-2.0	-112.86	384.50	7.58	-105.28
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000465999	0	40	-2.0	-103.65	371.41	7.06	-96.59
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000466001	0	43	-2.0	-110.77	381.13	7.53	-103.24
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000466002	0	43	-2.0	-116.69	384.68	7.62	-109.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)C(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000466004	1	44	-2.0	-115.22	387.70	7.15	-108.07
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000466007	0	40	-2.0	-119.67	363.32	6.96	-112.71
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000466008	1	43	-2.0	-106.90	384.64	7.60	-99.30
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000466009	0	39	-2.0	-109.44	355.87	5.05	-104.39
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000466010	0	44	-2.0	-106.50	387.88	6.73	-99.77
COC(=O)C(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000466011	0	37	-2.0	-102.16	359.82	5.91	-96.25
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)C(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000466012	0	43	-2.0	-108.33	381.79	6.93	-101.40
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(Cl)C(OC)=C1	REAL300000466019	1	36	-2.0	-109.04	345.32	4.28	-104.76
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(Cl)C(OC)=C1	REAL300000466021	1	33	-2.0	-106.23	333.03	3.24	-102.99
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C(Cl)C(OC)=C1	REAL300000466024	1	36	-2.0	-102.41	348.98	3.90	-98.51
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(Cl)C(OC)=C1	REAL300000466028	1	36	-2.0	-105.59	342.86	3.36	-102.23
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(Cl)C(OC)=C1	REAL300000466031	1	33	-2.0	-101.24	332.11	3.34	-97.90
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(Cl)C(OC)=C1	REAL300000466033	1	36	-2.0	-98.98	345.31	4.29	-94.69
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C(Cl)C(OC)=C1	REAL300000466034	0	37	-2.0	-109.29	344.17	2.81	-106.48
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(Cl)C(OC)=C1	REAL300000466043	1	36	-2.0	-116.32	343.48	4.25	-112.07
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(Cl)C(OC)=C1	REAL300000466044	0	35	-2.0	-109.62	336.09	2.35	-107.27
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C(Cl)C(OC)=C1	REAL300000466045	1	33	-2.0	-99.66	339.96	3.20	-96.46
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC(OC)=C2Cl)C=C(C(=O)[O-])O1	REAL300000466046	1	39	-2.0	-105.24	361.97	4.21	-101.03
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3=C(F)C(F)=CC(F)=C32)=C1	REAL300000466068	0	36	-2.0	-107.80	321.40	5.80	-102.00
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=CC(F)=C1F	REAL300000466081	1	38	-2.0	-79.39	353.66	4.45	-74.94
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466082	1	31	-2.0	-94.41	301.74	5.89	-88.52
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1C	REAL300000466083	0	39	-2.0	-95.51	356.82	6.94	-88.57
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC(F)=C1F	REAL300000466084	1	31	-2.0	-85.05	297.18	5.87	-79.18
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466085	1	31	-2.0	-96.33	297.21	5.86	-90.47
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1C	REAL300000466086	0	35	-2.0	-101.30	325.35	5.66	-95.64
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=CC(F)=C1F	REAL300000466087	1	35	-2.0	-85.12	328.66	7.15	-77.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)C=C1C(=O)[O-]	REAL300000466088	1	34	-2.0	-97.26	313.23	6.39	-90.87
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=CC(F)=C1F	REAL300000466089	0	31	-2.0	-92.19	310.28	6.43	-85.76
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466090	1	31	-2.0	-92.56	309.71	6.25	-86.31
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=CC(F)=C1F	REAL300000466091	0	31	-2.0	-88.18	322.77	6.81	-81.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)=C1C	REAL300000466092	1	37	-2.0	-99.15	330.31	7.20	-91.95
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CC(F)=C1F	REAL300000466093	0	31	-2.0	-93.31	302.68	5.92	-87.39
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=CC(F)=C1F	REAL300000466094	1	37	-2.0	-84.01	340.79	7.44	-76.57
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC(F)=C1F	REAL300000466095	0	28	-2.0	-91.24	290.39	4.87	-86.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1C	REAL300000466096	1	34	-2.0	-97.41	312.64	6.65	-90.76
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466098	0	32	-2.0	-94.95	303.85	5.20	-89.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)=C1	REAL300000466100	0	31	-2.0	-87.43	306.31	5.54	-81.89
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466102	0	28	-2.0	-92.63	288.86	4.89	-87.74
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)=CC(C(=O)[O-])=C1OC	REAL300000466103	1	39	-2.0	-97.00	355.52	5.67	-91.33
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=CC(F)=C1F	REAL300000466105	1	41	-2.0	-100.76	352.45	8.49	-92.27
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=CC(F)=C1F	REAL300000466106	1	40	-2.0	-99.28	351.11	7.87	-91.41
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1C	REAL300000466107	1	37	-2.0	-96.06	326.81	7.58	-88.48
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1C	REAL300000466108	0	38	-2.0	-101.60	347.64	6.42	-95.18
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466109	0	34	-2.0	-105.75	324.15	6.36	-99.39
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466109	1	33	-3.0	-169.39	325.61	6.42	-162.97
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=CC(F)=C1F	REAL300000466110	1	38	-2.0	-101.04	341.44	7.75	-93.29
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)C=C(C(=O)[O-])O1	REAL300000466111	0	31	-2.0	-91.20	300.21	4.99	-86.21
CC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466112	1	37	-2.0	-101.10	339.37	5.63	-95.47
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)=C1	REAL300000466113	0	35	-2.0	-97.35	326.17	4.95	-92.40
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466115	1	31	-2.0	-86.62	324.88	6.71	-79.91
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=CC(F)=C1F	REAL300000466116	0	31	-2.0	-89.48	314.80	6.44	-83.04
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=CC(F)=C1F	REAL300000466117	1	35	-2.0	-82.54	344.30	6.68	-75.86
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1C	REAL300000466119	1	34	-2.0	-88.58	317.91	6.68	-81.90
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=CC(F)=C1F	REAL300000466121	1	35	-2.0	-83.63	334.50	6.21	-77.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)C=C(C(=O)[O-])S1	REAL300000466123	1	31	-2.0	-94.11	306.90	5.74	-88.37
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=CC(F)=C1F	REAL300000466124	0	31	-2.0	-86.28	325.43	6.88	-79.40
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=CC(F)=C1F	REAL300000466125	0	31	-2.0	-82.81	310.26	6.42	-76.39
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC(F)=C1F	REAL300000466126	1	31	-2.0	-84.87	301.72	5.90	-78.97
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC(F)=C1F	REAL300000466127	0	28	-2.0	-86.51	289.46	4.99	-81.52
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466128	1	31	-2.0	-87.68	303.61	5.93	-81.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)=C1F	REAL300000466129	0	34	-2.0	-94.55	322.95	6.55	-88.00
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000466130	0	35	-2.0	-87.44	337.50	6.48	-80.96
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC(F)=C1F	REAL300000466131	0	31	-2.0	-84.18	302.67	5.93	-78.25
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CC(F)=C1F	REAL300000466132	1	31	-2.0	-82.77	309.69	6.26	-76.51
CC1=C(F)C(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000466133	1	34	-2.0	-90.17	326.66	7.07	-83.10
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=CC(F)=C1F	REAL300000466134	1	39	-2.0	-82.14	360.94	7.27	-74.87
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466135	1	31	-2.0	-86.53	308.02	5.95	-80.58
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=CC(F)=C1F	REAL300000466136	0	33	-2.0	-82.28	325.39	6.53	-75.75
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CC(F)=C1F	REAL300000466137	0	32	-2.0	-96.42	306.92	3.57	-92.85
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC(F)=C1F	REAL300000466137	1	32	-2.0	-99.46	300.87	4.41	-95.05
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CC(F)=C1F	REAL300000466138	1	34	-2.0	-88.18	319.39	6.63	-81.55
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466139	1	31	-2.0	-87.74	317.91	6.39	-81.35
CC1=C(F)C(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000466140	1	34	-2.0	-92.72	307.23	6.50	-86.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)=CC(C(=O)[O-])=C1F	REAL300000466141	1	34	-2.0	-95.60	322.04	6.51	-89.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)=CC(C(=O)[O-])=C1C	REAL300000466143	1	37	-2.0	-98.93	330.67	6.94	-91.99
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466144	0	33	-2.0	-95.96	323.76	6.96	-89.00
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CC(F)=C1F	REAL300000466145	0	31	-2.0	-85.44	308.94	5.98	-79.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)C=C1C(=O)[O-]	REAL300000466147	0	34	-2.0	-94.24	318.68	6.46	-87.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)=C1Cl	REAL300000466148	0	34	-2.0	-93.83	328.98	7.00	-86.83
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)=C1	REAL300000466149	0	34	-2.0	-100.80	322.24	6.55	-94.25
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)C=C1C(=O)[O-]	REAL300000466150	1	37	-2.0	-97.90	331.53	7.05	-90.85
CC1=C(F)C(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000466152	1	34	-2.0	-86.34	323.47	7.04	-79.30
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=CC(F)=C1F	REAL300000466153	1	34	-2.0	-81.93	327.32	6.67	-75.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000466154	1	34	-2.0	-94.09	328.43	6.82	-87.27
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)C=C1C(=O)[O-]	REAL300000466155	0	35	-2.0	-96.10	325.16	6.06	-90.04
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=CC(F)=C1F	REAL300000466157	0	31	-2.0	-84.61	322.81	6.42	-78.19
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)C=C1C(=O)[O-]	REAL300000466158	1	34	-2.0	-89.82	327.07	6.83	-82.99
CC1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466159	0	40	-2.0	-94.22	346.65	7.99	-86.23
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)C=C1C(=O)[O-]	REAL300000466160	0	35	-2.0	-97.80	337.53	6.49	-91.31
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)=CC=C1C(=O)[O-]	REAL300000466161	1	34	-2.0	-85.05	313.21	6.40	-78.65
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=CC(F)=C1F	REAL300000466162	0	36	-2.0	-88.99	340.46	8.05	-80.94
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=CC(F)=C1F	REAL300000466164	0	33	-2.0	-103.20	320.92	7.71	-95.49
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CC(F)=C1F	REAL300000466165	0	31	-2.0	-100.09	300.84	5.88	-94.21
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)C=C1C(=O)[O-]	REAL300000466166	1	34	-2.0	-88.29	318.37	6.43	-81.86
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466167	1	37	-2.0	-104.12	338.24	7.98	-96.14
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC(F)=C1F	REAL300000466168	0	30	-2.0	-93.38	294.18	3.92	-89.46
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(F)=C1C	REAL300000466169	0	35	-2.0	-88.75	325.41	5.65	-83.10
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC(F)=C1F	REAL300000466170	0	28	-2.0	-85.29	297.31	4.83	-80.46
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=CC(F)=C1F	REAL300000466171	1	38	-2.0	-91.29	343.33	7.75	-83.54
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=CC(F)=C1F	REAL300000466172	1	38	-2.0	-93.47	341.29	7.73	-85.74
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2C)C=C(C(=O)[O-])O1	REAL300000466173	0	34	-2.0	-91.10	319.33	5.84	-85.26
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000466174	0	36	-2.0	-106.31	333.73	1.18	-105.13
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000466175	0	36	-2.0	-96.65	329.18	1.16	-95.49
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000466176	0	36	-2.0	-108.56	329.20	1.15	-107.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1OC	REAL300000466177	0	40	-2.0	-113.04	357.35	0.94	-112.10
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000466178	0	40	-2.0	-96.03	360.65	2.44	-93.59
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000466179	0	39	-2.0	-109.62	345.22	1.68	-107.94
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000466180	0	36	-2.0	-103.55	342.27	1.72	-101.83
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000466181	0	36	-2.0	-104.57	341.71	1.54	-103.03
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000466182	0	42	-2.0	-110.38	362.31	2.47	-107.91
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000466183	0	36	-2.0	-105.25	334.68	1.21	-104.04
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000466184	0	42	-2.0	-95.10	372.77	2.74	-92.36
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000466185	0	33	-2.0	-103.12	322.39	0.17	-102.95
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000466186	0	39	-2.0	-108.54	344.64	1.93	-106.61
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000466187	0	40	-2.0	-94.72	360.27	1.43	-93.29
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000466188	0	37	-2.0	-106.96	335.85	0.50	-106.46
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000466189	0	40	-2.0	-109.23	352.98	-0.01	-109.24
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000466190	0	36	-2.0	-99.38	338.31	0.83	-98.55
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000466191	0	42	-2.0	-109.67	360.65	2.46	-107.21
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000466192	0	33	-2.0	-104.46	320.85	0.19	-104.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2OC)C=C1C(=O)[O-]	REAL300000466193	0	40	-2.0	-114.43	356.49	1.22	-113.21
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000466194	0	45	-2.0	-110.57	383.10	3.15	-107.42
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1OC	REAL300000466195	0	42	-2.0	-106.55	359.32	2.88	-103.67
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1OC	REAL300000466196	0	43	-2.0	-114.15	379.63	1.71	-112.44
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000466197	0	38	-3.0	-183.81	357.61	1.71	-182.10
COC1=CC(C(N)=O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000466197	1	39	-2.0	-110.25	357.54	1.64	-108.61
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000466198	0	43	-2.0	-112.71	373.45	3.04	-109.67
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000466199	0	36	-2.0	-102.29	332.21	0.29	-102.00
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000466200	0	40	-2.0	-110.44	358.12	0.25	-110.19
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000466201	0	43	-2.0	-95.16	380.36	2.14	-93.02
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000466202	0	39	-2.0	-99.61	349.91	1.96	-97.65
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000466203	0	40	-2.0	-94.42	366.49	1.50	-92.92
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2OC)C=C1C(=O)[O-]	REAL300000466204	0	43	-2.0	-115.06	378.34	2.12	-112.94
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000466205	0	36	-2.0	-105.25	337.83	1.05	-104.20
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000466206	0	36	-2.0	-94.25	342.25	1.71	-92.54
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000466207	0	36	-2.0	-96.25	333.74	1.19	-95.06
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000466208	0	33	-2.0	-98.25	321.47	0.28	-97.97
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000466209	0	36	-2.0	-99.71	335.62	1.22	-98.49
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000466210	0	39	-2.0	-106.62	354.95	1.84	-104.78
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000466211	0	36	-2.0	-96.13	334.67	1.22	-94.91
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000466212	0	36	-2.0	-94.30	341.71	1.55	-92.75
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000466213	0	39	-2.0	-101.16	358.65	2.35	-98.81
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000466214	0	36	-2.0	-98.13	340.02	1.24	-96.89
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000466215	0	38	-2.0	-94.02	357.39	1.82	-92.20
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000466216	0	37	-2.0	-107.08	338.92	-1.15	-108.23
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000466217	0	39	-2.0	-99.36	351.37	1.93	-97.43
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000466218	0	39	-2.0	-105.32	339.24	1.78	-103.54
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000466219	0	39	-2.0	-107.61	354.03	1.80	-105.81
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000466220	0	39	-2.0	-96.64	344.61	1.92	-94.72
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000466221	0	42	-2.0	-111.55	362.08	2.22	-109.33
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000466222	0	38	-2.0	-107.47	355.78	2.25	-105.22
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000466223	0	36	-2.0	-97.28	340.94	1.27	-96.01
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000466224	0	42	-2.0	-109.53	363.68	2.53	-107.00
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000466225	0	39	-2.0	-106.23	350.68	1.75	-104.48
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000466226	0	39	-2.0	-105.36	360.98	2.28	-103.08
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000466227	0	39	-2.0	-114.06	354.23	1.84	-112.22
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2OC)C=C1C(=O)[O-]	REAL300000466228	0	42	-2.0	-110.34	363.17	2.33	-108.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2OC)C=C1CC(=O)[O-]	REAL300000466229	0	43	-2.0	-111.52	379.68	1.28	-110.24
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000466230	0	39	-2.0	-98.66	355.46	2.32	-96.34
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000466231	0	39	-2.0	-106.34	360.42	2.11	-104.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2OC)C=C1C(=O)[O-]	REAL300000466232	0	40	-2.0	-108.30	357.22	1.37	-106.93
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000466233	0	39	-2.0	-102.01	359.06	2.11	-99.90
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000466234	0	39	-2.0	-98.28	349.27	1.79	-96.49
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000466235	0	39	-2.0	-106.10	349.15	1.95	-104.15
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000466236	0	38	-2.0	-116.43	352.94	3.01	-113.42
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000466237	0	36	-2.0	-113.33	332.84	1.17	-112.16
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000466238	0	39	-2.0	-100.40	350.37	1.72	-98.68
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000466239	0	35	-2.0	-106.33	325.41	-0.72	-107.05
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000466240	0	40	-2.0	-100.51	357.41	0.94	-99.57
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000466241	0	33	-2.0	-96.54	329.30	0.14	-96.40
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000466242	0	43	-2.0	-102.59	375.33	3.04	-99.55
COC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000466243	0	43	-2.0	-106.23	373.29	3.01	-103.22
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2OC)C=C(C(=O)[O-])O1	REAL300000466244	0	39	-2.0	-101.90	351.32	1.14	-100.76
CN1CC2=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000466245	1	36	-2.0	-100.16	334.32	4.89	-95.27
CN1CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C2C1=O	REAL300000466246	1	36	-2.0	-90.69	329.76	4.87	-85.82
CN1CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000466247	1	36	-2.0	-102.35	330.23	4.86	-97.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CN(C)C2=O	REAL300000466248	0	40	-2.0	-107.91	357.91	4.66	-103.25
CN1CC2=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=CC=C2C1=O	REAL300000466249	1	40	-2.0	-90.73	361.23	6.16	-84.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)C=C1C(=O)[O-]	REAL300000466250	1	39	-2.0	-103.31	345.80	5.40	-97.91
CN1CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=CC=C2C1=O	REAL300000466251	0	36	-2.0	-98.58	343.30	5.44	-93.14
CN1CC2=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000466252	1	36	-2.0	-98.39	342.29	5.26	-93.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)=C1C	REAL300000466253	1	42	-2.0	-105.72	363.34	6.18	-99.54
CN1CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=CC=C2C1=O	REAL300000466254	0	36	-2.0	-99.88	335.71	4.93	-94.95
CN1CC2=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=CC=C2C1=O	REAL300000466255	1	42	-2.0	-89.86	373.36	6.44	-83.42
CN1CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C2C1=O	REAL300000466256	0	33	-2.0	-96.90	322.97	3.88	-93.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CN(C)C2=O	REAL300000466257	1	39	-2.0	-103.93	345.21	5.64	-98.29
CN1CC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=CC=C2C1=O	REAL300000466258	1	40	-2.0	-89.34	360.85	5.15	-84.19
CN1C=C(S(=O)(=O)[N-]C2=C3CN(C)C(=O)C3=CC=C2)C=C1C(=O)[O-]	REAL300000466259	0	37	-2.0	-100.84	336.42	4.21	-96.63
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CN(C)C2=O	REAL300000466260	1	40	-2.0	-104.63	353.57	3.69	-100.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)=C1	REAL300000466261	0	36	-2.0	-93.19	338.89	4.55	-88.64
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)C=C1C(=O)[O-]	REAL300000466262	1	42	-2.0	-105.05	361.23	6.17	-98.88
CN1CC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000466263	0	33	-2.0	-98.35	321.44	3.90	-94.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)C=C1C(=O)[O-]	REAL300000466264	1	40	-2.0	-108.13	357.07	4.93	-103.20
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CN(C)C2=O	REAL300000466265	1	45	-2.0	-105.95	384.13	6.86	-99.09
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CN(C)C2=O	REAL300000466266	1	42	-2.0	-102.58	359.91	6.58	-96.00
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CN(C)C2=O	REAL300000466267	0	43	-2.0	-107.79	380.19	5.43	-102.36
CN1CC2=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000466268	0	39	-2.0	-111.64	358.46	5.33	-106.31
CN1CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000466268	1	38	-3.0	-175.40	358.63	5.43	-169.97
CN1CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=CC=C2C1=O	REAL300000466269	1	43	-2.0	-107.71	374.48	6.75	-100.96
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)C=C(C(=O)[O-])O1	REAL300000466270	0	36	-2.0	-97.26	333.24	4.00	-93.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)=C1	REAL300000466271	0	40	-2.0	-103.23	359.22	3.96	-99.27
CN1CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=CC=C2C1=O	REAL300000466272	0	36	-2.0	-95.64	347.83	5.45	-90.19
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)=CC=C1OCC(=O)[O-]	REAL300000466273	1	43	-2.0	-89.76	380.93	5.85	-83.91
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CN(C)C2=O	REAL300000466274	1	39	-2.0	-94.84	350.94	5.67	-89.17
CN1CC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=CC=C2C1=O	REAL300000466275	1	40	-2.0	-89.11	367.07	5.21	-83.90
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)C=C1C(=O)[O-]	REAL300000466276	1	43	-2.0	-108.75	378.91	5.84	-102.91
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)C=C(C(=O)[O-])S1	REAL300000466277	0	36	-2.0	-100.42	339.47	4.75	-95.67
CN1CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=CC=C2C1=O	REAL300000466278	0	36	-2.0	-88.35	343.28	5.42	-82.93
CN1CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C2C1=O	REAL300000466279	1	36	-2.0	-90.45	334.31	4.90	-85.55
CN1CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C2C1=O	REAL300000466280	0	33	-2.0	-92.18	322.03	3.99	-88.19
CN1CC2=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000466281	0	36	-2.0	-93.57	336.18	4.93	-88.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)=C1F	REAL300000466282	0	39	-2.0	-101.11	355.98	5.56	-95.55
CN1CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=CC=C2C1=O	REAL300000466283	0	36	-2.0	-89.85	335.69	4.93	-84.92
CN1CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C2C1=O	REAL300000466284	1	36	-2.0	-88.36	342.28	5.27	-83.09
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CN(C)C2=O	REAL300000466285	1	39	-2.0	-96.43	359.67	6.06	-90.37
CN1CC2=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000466286	1	36	-2.0	-92.14	340.61	4.96	-87.18
CN1CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=CC=C2C1=O	REAL300000466287	0	38	-2.0	-88.00	357.97	5.53	-82.47
CN1CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=CC=C2C1=O	REAL300000466288	0	37	-2.0	-103.25	339.94	2.58	-100.67
CN1CC2=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=CC=C2C1=O	REAL300000466288	1	37	-2.0	-104.05	338.41	3.39	-100.66
CN1CC2=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=CC=C2C1=O	REAL300000466289	1	39	-2.0	-94.27	351.96	5.64	-88.63
CN1CC2=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000466290	1	36	-2.0	-93.46	350.49	5.39	-88.07
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CN(C)C2=O	REAL300000466291	1	39	-2.0	-98.15	340.30	5.49	-92.66
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)=CC(C(=O)[O-])=C1F	REAL300000466292	1	39	-2.0	-101.45	354.61	5.51	-95.94
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CN(C)C2=O	REAL300000466293	1	39	-2.0	-91.20	345.65	5.62	-85.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)=CC(C(=O)[O-])=C1C	REAL300000466294	1	42	-2.0	-106.37	366.60	6.03	-100.34
CN1CC2=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000466295	0	38	-2.0	-101.47	356.33	5.95	-95.52
CN1CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=CC=C2C1=O	REAL300000466296	0	36	-2.0	-91.71	341.96	4.99	-86.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)C(C)=C1C(=O)[O-]	REAL300000466297	1	42	-2.0	-102.23	364.71	6.24	-95.99
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)C=C1C(=O)[O-]	REAL300000466298	0	39	-2.0	-101.99	355.09	5.56	-96.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)=C1Cl	REAL300000466299	0	39	-2.0	-100.17	362.01	6.00	-94.17
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)=C1	REAL300000466300	0	39	-2.0	-106.28	355.26	5.56	-100.72
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)C=C1C(=O)[O-]	REAL300000466301	1	42	-2.0	-103.91	364.01	6.05	-97.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)C=C1CC(=O)[O-]	REAL300000466302	1	43	-2.0	-104.40	380.24	4.99	-99.41
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CN(C)C2=O	REAL300000466303	1	39	-2.0	-92.66	360.77	6.11	-86.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)=CC(C(=O)[O-])=C1Cl	REAL300000466304	1	39	-2.0	-100.00	361.00	5.82	-94.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)C=C1C(=O)[O-]	REAL300000466305	0	40	-2.0	-102.05	357.80	5.07	-96.98
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)C=C1C(=O)[O-]	REAL300000466306	1	39	-2.0	-95.75	359.64	5.83	-89.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)=CC=C1C(=O)[O-]	REAL300000466307	1	39	-2.0	-90.65	345.78	5.41	-85.24
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CN(C)C2=O	REAL300000466308	1	39	-2.0	-101.95	349.31	5.69	-96.26
CN1CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=CC=C2C1=O	REAL300000466309	0	38	-2.0	-108.61	353.50	6.71	-101.90
CN1CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=CC=C2C1=O	REAL300000466310	0	36	-2.0	-105.55	333.43	4.90	-100.65
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)C=C1C(=O)[O-]	REAL300000466311	1	39	-2.0	-94.17	350.94	5.43	-88.74
CN1CC2=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000466312	1	42	-2.0	-110.03	370.82	6.98	-103.05
CN1CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C2C1=O	REAL300000466313	0	35	-2.0	-99.82	326.46	2.99	-96.83
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CN(C)C2=O	REAL300000466314	0	40	-2.0	-94.60	358.43	4.66	-89.94
CN1CC2=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000466315	0	33	-2.0	-91.03	329.92	3.85	-87.18
CN1CC2=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=CC=C2C1=O	REAL300000466316	1	43	-2.0	-97.27	375.90	6.74	-90.53
CN1CC2=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=CC=C2C1=O	REAL300000466317	1	43	-2.0	-99.15	375.67	6.75	-92.40
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CN(C)C3=O)C=C(C(=O)[O-])O1	REAL300000466318	0	39	-2.0	-97.24	352.36	4.85	-92.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)=CC=C1F	REAL300000466319	1	37	-2.0	-109.25	345.49	0.94	-108.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)C=C1	REAL300000466320	1	37	-2.0	-98.74	340.81	0.67	-98.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)=CC=C1	REAL300000466321	1	37	-2.0	-110.39	340.83	0.66	-109.73
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CC(=O)N2)=C1	REAL300000466322	0	41	-2.0	-115.39	368.97	0.46	-114.93
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C1	REAL300000466323	1	41	-2.0	-98.53	372.42	2.20	-96.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000466324	1	40	-2.0	-112.89	356.98	1.44	-111.45
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)=C1	REAL300000466325	0	37	-2.0	-105.71	353.90	1.23	-104.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)=CC=C1Cl	REAL300000466326	1	37	-2.0	-107.58	353.46	1.30	-106.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)=C1C	REAL300000466327	1	43	-2.0	-112.74	373.22	1.97	-110.77
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)=C1	REAL300000466328	0	37	-2.0	-107.54	346.30	0.72	-106.82
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C1	REAL300000466329	1	43	-2.0	-97.24	384.39	2.25	-94.99
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)=C1	REAL300000466330	0	34	-2.0	-104.95	334.01	-0.32	-105.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CC(=O)N2)=C1	REAL300000466331	1	40	-2.0	-110.91	356.26	1.44	-109.47
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C1	REAL300000466332	1	41	-2.0	-97.16	372.04	1.19	-95.97
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000466333	0	38	-2.0	-109.28	347.60	0.26	-109.02
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)=C1	REAL300000466335	0	37	-2.0	-102.06	350.07	0.59	-101.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000466336	1	43	-2.0	-112.69	372.02	2.24	-110.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)=CS1	REAL300000466337	0	34	-2.0	-107.02	332.48	-0.31	-107.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000466338	1	41	-2.0	-117.63	368.24	0.97	-116.66
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CC(=O)N2)=C1	REAL300000466339	1	43	-2.0	-109.06	370.98	2.38	-106.68
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C(C(=O)[O-])O1	REAL300000466340	0	37	-2.0	-104.69	343.96	0.04	-104.65
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)=C1	REAL300000466341	0	41	-2.0	-112.94	369.94	0.00	-112.94
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CC(=O)N2)=C1	REAL300000466342	1	40	-2.0	-102.01	361.66	1.72	-100.29
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C(C(=O)[O-])S1	REAL300000466343	0	37	-2.0	-107.51	349.43	0.55	-106.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)C(Cl)=C1	REAL300000466344	0	37	-2.0	-96.21	353.88	1.22	-94.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)C=C1F	REAL300000466345	1	37	-2.0	-98.20	345.34	0.70	-97.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)S1	REAL300000466346	0	34	-2.0	-100.78	333.22	0.04	-100.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)=CC(F)=C1	REAL300000466347	1	37	-2.0	-101.42	347.23	0.73	-100.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)=C1F	REAL300000466348	0	40	-2.0	-109.21	366.71	1.61	-107.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)C(F)=C1	REAL300000466349	0	37	-2.0	-98.26	346.29	0.73	-97.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)C=C1Cl	REAL300000466350	1	37	-2.0	-96.22	353.31	1.06	-95.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)=CC(F)=C1F	REAL300000466351	1	37	-2.0	-100.44	351.65	0.75	-99.69
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)=C1	REAL300000466352	0	38	-2.0	-109.65	350.54	-1.62	-111.27
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(OC3CC(=O)N3)=CC=C2)=C1	REAL300000466352	1	38	-2.0	-107.72	349.89	-0.59	-108.31
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C1	REAL300000466353	1	40	-2.0	-101.78	362.99	1.45	-100.33
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2CC(=O)N2)=C1	REAL300000466354	1	40	-2.0	-108.20	351.02	1.55	-106.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)=CC(C(=O)[O-])=C1F	REAL300000466355	1	40	-2.0	-109.56	365.79	1.56	-108.00
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2CC(=O)N2)=C1	REAL300000466356	1	40	-2.0	-99.02	356.37	1.68	-97.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)=CC(C(=O)[O-])=C1C	REAL300000466357	1	43	-2.0	-116.21	377.76	2.08	-114.13
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)=C1	REAL300000466358	0	37	-2.0	-99.77	352.71	1.03	-98.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C(C)=C1C(=O)[O-]	REAL300000466359	1	43	-2.0	-111.94	375.31	2.05	-109.89
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000466360	0	40	-2.0	-108.89	362.43	1.51	-107.38
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)=C1	REAL300000466361	0	40	-2.0	-117.05	365.99	1.60	-115.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000466362	1	43	-2.0	-113.57	375.18	2.09	-111.48
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000466363	0	41	-2.0	-110.50	368.98	1.13	-109.37
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)=CC=C1C(=O)[O-]	REAL300000466364	1	40	-2.0	-98.85	356.83	1.21	-97.64
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CC(=O)N2)=C1	REAL300000466365	1	40	-2.0	-108.95	360.49	1.73	-107.22
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)=CC=C1	REAL300000466366	0	37	-2.0	-116.28	344.57	0.93	-115.35
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000466367	1	40	-2.0	-104.04	365.76	1.34	-102.70
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)=C1	REAL300000466368	0	36	-2.0	-107.71	337.94	-1.04	-108.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2CC(=O)N2)=C1	REAL300000466369	0	41	-2.0	-102.74	369.03	0.46	-102.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(OC3CC(=O)N3)=CC=C2)=C(Cl)O1	REAL300000466370	0	34	-2.0	-98.81	341.10	-0.12	-98.93
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3CC(=O)N3)=C2)C=C(C(=O)[O-])O1	REAL300000466371	0	40	-2.0	-104.38	363.09	0.89	-103.49
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1S(=O)(=O)N(C)C	REAL300000466372	1	42	-2.0	-96.06	366.47	3.57	-92.49
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1S(=O)(=O)N(C)C	REAL300000466373	1	42	-2.0	-109.36	366.73	3.59	-105.77
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1S(=O)(=O)N(C)C	REAL300000466374	0	41	-2.0	-106.02	363.99	1.63	-104.39
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000466375	1	39	-2.0	-86.54	364.40	4.65	-81.89
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000466376	1	32	-2.0	-102.51	312.46	6.09	-96.42
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C#N)=C1	REAL300000466377	0	40	-2.0	-104.30	367.54	7.15	-97.15
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=C1	REAL300000466378	0	32	-2.0	-100.66	324.35	6.78	-93.88
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000466379	1	32	-2.0	-92.75	307.91	6.07	-86.68
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000466380	1	32	-2.0	-104.94	307.93	6.06	-98.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C#N)=C1	REAL300000466381	0	36	-2.0	-111.13	336.07	5.86	-105.27
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000466382	1	32	-2.0	-100.43	324.17	6.55	-93.88
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000466383	1	36	-2.0	-92.55	339.39	7.36	-85.19
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000466384	1	35	-2.0	-106.05	323.94	6.60	-99.45
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000466385	0	32	-2.0	-101.29	321.00	6.64	-94.65
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000466386	1	32	-2.0	-100.85	320.43	6.46	-94.39
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000466387	0	32	-2.0	-97.00	333.50	7.01	-89.99
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000466388	1	38	-2.0	-109.03	340.60	7.41	-101.62
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000466389	0	32	-2.0	-102.76	313.40	6.13	-96.63
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000466390	1	38	-2.0	-91.67	351.51	7.66	-84.01
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000466391	0	29	-2.0	-99.53	301.11	5.08	-94.45
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000466392	1	35	-2.0	-106.88	323.36	6.85	-100.03
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000466393	1	36	-2.0	-91.19	339.01	6.35	-84.84
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=C1	REAL300000466394	1	43	-2.0	-87.75	384.76	7.13	-80.62
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000466395	0	33	-2.0	-103.41	314.58	5.41	-98.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=CC(C#N)=C2)=C1	REAL300000466397	0	32	-2.0	-95.63	317.04	5.75	-89.88
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000466398	1	38	-2.0	-108.13	339.39	7.39	-100.74
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000466399	0	29	-2.0	-100.95	299.57	5.10	-95.85
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C#N)=C2)=CC(C(=O)[O-])=C1OC	REAL300000466400	1	40	-2.0	-105.33	366.26	5.87	-99.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000466401	1	36	-2.0	-110.83	335.22	6.13	-104.70
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000466402	1	42	-2.0	-110.65	363.16	8.69	-101.96
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000466403	1	41	-2.0	-109.07	361.82	8.07	-101.00
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C#N)=C1	REAL300000466404	1	38	-2.0	-105.49	338.04	7.78	-97.71
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C#N)=C1	REAL300000466405	0	39	-2.0	-111.29	358.38	6.62	-104.67
CC1=CC(C#N)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000466406	0	35	-2.0	-109.87	338.80	6.62	-103.25
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000466406	1	34	-3.0	-179.55	336.33	6.62	-172.93
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000466407	1	39	-2.0	-110.98	352.17	7.96	-103.02
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000466408	0	32	-2.0	-99.84	310.93	5.21	-94.63
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000466409	1	38	-2.0	-109.66	350.09	5.84	-103.82
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000466410	0	36	-2.0	-105.61	336.91	5.15	-100.46
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000466411	1	40	-2.0	-92.40	361.56	6.68	-85.72
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000466412	1	32	-2.0	-94.67	335.62	6.92	-87.75
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000466413	0	32	-2.0	-98.12	325.52	6.66	-91.46
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000466414	1	36	-2.0	-89.74	355.02	6.89	-82.85
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000466415	1	39	-2.0	-91.65	359.08	7.06	-84.59
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000466416	1	42	-2.0	-90.45	387.67	7.32	-83.13
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000466417	1	35	-2.0	-97.41	328.64	6.88	-90.53
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1	REAL300000466418	1	45	-2.0	-91.69	401.52	7.99	-83.70
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000466419	1	36	-2.0	-90.71	345.22	6.41	-84.30
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000466420	1	39	-2.0	-111.47	357.09	7.03	-104.44
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C#N)=C2)C=C(C(=O)[O-])S1	REAL300000466421	0	32	-2.0	-103.08	317.62	5.95	-97.13
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000466422	0	32	-2.0	-95.09	336.15	7.08	-88.01
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000466423	0	32	-2.0	-90.29	320.98	6.62	-83.67
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=C1	REAL300000466424	0	32	-2.0	-89.83	324.33	6.77	-83.06
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000466425	1	32	-2.0	-92.31	312.45	6.10	-86.21
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000466426	0	29	-2.0	-94.53	300.19	5.18	-89.35
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000466427	1	32	-2.0	-95.87	314.33	6.13	-89.74
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000466428	0	35	-2.0	-104.19	333.70	6.77	-97.42
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C#N)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000466429	0	36	-2.0	-94.91	348.26	6.68	-88.23
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000466430	0	32	-2.0	-91.96	313.38	6.14	-85.82
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000466431	1	32	-2.0	-90.34	320.42	6.47	-83.87
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000466432	1	35	-2.0	-99.10	337.37	7.27	-91.83
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000466433	1	40	-2.0	-89.32	371.67	7.48	-81.84
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000466434	1	32	-2.0	-89.88	324.16	6.56	-83.32
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000466435	1	32	-2.0	-94.20	318.76	6.16	-88.04
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000466436	0	34	-2.0	-90.13	336.12	6.73	-83.40
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000466437	0	33	-2.0	-106.05	317.64	3.78	-102.27
CC1=CC(C#N)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000466437	1	33	-2.0	-105.82	316.84	4.55	-101.27
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000466438	1	35	-2.0	-96.34	330.11	6.85	-89.49
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000466439	1	32	-2.0	-95.54	328.65	6.60	-88.94
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000466440	1	35	-2.0	-100.38	317.97	6.70	-93.68
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000466441	1	35	-2.0	-103.86	332.78	6.72	-97.14
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000466442	1	35	-2.0	-93.20	323.34	6.85	-86.35
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000466443	1	38	-2.0	-109.30	345.43	7.27	-102.03
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000466444	0	34	-2.0	-103.44	334.50	7.16	-96.28
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000466445	0	32	-2.0	-94.37	319.68	6.19	-88.18
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000466446	1	38	-2.0	-104.67	342.40	7.46	-97.21
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000466447	0	35	-2.0	-105.07	333.24	6.76	-98.31
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000466448	0	35	-2.0	-103.08	339.67	7.20	-95.88
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000466449	0	35	-2.0	-108.81	332.96	6.76	-102.05
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000466450	1	38	-2.0	-106.88	341.89	7.25	-99.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C#N)=C2)C=C1CC(=O)[O-]	REAL300000466451	1	39	-2.0	-107.30	358.40	6.19	-101.11
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000466452	1	35	-2.0	-94.02	334.19	7.23	-86.79
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000466453	1	35	-2.0	-89.35	338.05	6.87	-82.48
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000466454	1	35	-2.0	-102.56	339.17	7.02	-95.54
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000466455	1	32	-2.0	-97.70	329.22	6.68	-91.02
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000466456	0	36	-2.0	-104.65	335.95	6.28	-98.37
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000466458	0	32	-2.0	-93.18	333.51	6.62	-86.56
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000466459	1	35	-2.0	-99.35	341.67	7.13	-92.22
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000466460	0	41	-2.0	-102.87	357.36	8.20	-94.67
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000466461	0	36	-2.0	-106.91	348.26	6.69	-100.22
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000466462	1	35	-2.0	-92.89	323.94	6.61	-86.28
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000466463	0	37	-2.0	-96.81	351.19	8.25	-88.56
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000466464	1	35	-2.0	-104.62	327.46	6.91	-97.71
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000466465	0	34	-2.0	-111.17	331.67	7.91	-103.26
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000466466	0	32	-2.0	-108.00	311.58	6.10	-101.90
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000466467	1	35	-2.0	-97.58	332.86	6.74	-90.84
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000466468	1	38	-2.0	-113.08	348.96	8.18	-104.90
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000466469	0	31	-2.0	-102.61	304.14	4.19	-98.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C#N)=C1	REAL300000466470	0	36	-2.0	-96.96	336.12	5.86	-91.10
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000466471	0	29	-2.0	-93.48	308.07	5.04	-88.44
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000466472	1	39	-2.0	-99.61	354.05	7.95	-91.66
CC1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000466473	1	39	-2.0	-101.69	353.37	7.95	-93.74
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000466474	0	35	-2.0	-99.87	330.06	6.06	-93.81
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=NN1	REAL300000466475	0	38	-2.0	-112.79	341.61	0.25	-112.54
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000466475	1	38	-2.0	-113.44	338.17	0.40	-113.04
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(N)=O)=NN1	REAL300000466476	0	38	-2.0	-103.12	338.07	0.21	-102.91
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000466476	1	38	-2.0	-102.88	335.86	0.27	-102.61
CC(C)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(N)=O)=NN1	REAL300000466477	0	38	-2.0	-114.64	336.91	0.22	-114.42
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000466477	1	38	-2.0	-113.91	333.96	0.38	-113.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)NN=C1C(N)=O	REAL300000466478	0	42	-2.0	-118.63	365.23	0.01	-118.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)NN=C1C(C)C	REAL300000466478	1	42	-2.0	-117.91	362.08	0.18	-117.73
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(N)=O)=NN1	REAL300000466479	0	42	-2.0	-101.45	369.53	1.50	-99.95
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000466479	1	42	-2.0	-101.35	367.34	1.56	-99.79
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466480	0	41	-2.0	-117.44	356.49	0.86	-116.58
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)C=C1C(=O)[O-]	REAL300000466480	1	41	-2.0	-114.77	348.99	0.99	-113.78
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(N)=O)=NN1	REAL300000466481	0	38	-2.0	-108.93	350.15	0.80	-108.13
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000466481	1	38	-2.0	-108.30	347.04	0.97	-107.33
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(N)=O)=NN1	REAL300000466482	0	38	-2.0	-111.18	349.59	0.62	-110.56
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000466482	1	38	-2.0	-111.78	346.14	0.76	-111.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)=C1C	REAL300000466483	0	44	-2.0	-116.14	369.15	1.52	-114.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)=C1C	REAL300000466483	1	44	-2.0	-117.01	366.17	1.71	-115.30
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(N)=O)=NN1	REAL300000466484	0	38	-2.0	-111.04	342.56	0.29	-110.75
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000466484	1	38	-2.0	-110.60	339.44	0.45	-110.15
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(N)=O)=NN1	REAL300000466485	0	44	-2.0	-100.34	381.66	1.78	-98.56
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000466485	1	44	-2.0	-100.42	379.45	1.84	-98.58
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(N)=O)=NN1	REAL300000466486	0	35	-2.0	-109.74	330.26	-0.74	-110.48
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000466486	1	35	-2.0	-108.91	327.12	-0.58	-109.49
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)NN=C1C(N)=O	REAL300000466487	0	41	-2.0	-113.73	352.51	1.00	-112.73
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)NN=C1C(C)C	REAL300000466487	1	41	-2.0	-112.90	349.39	1.18	-111.72
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(N)=O)=NN1	REAL300000466488	0	42	-2.0	-100.26	369.15	0.48	-99.78
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000466488	1	42	-2.0	-100.15	366.95	0.54	-99.61
CC(C)C1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(N)=O)=NN1	REAL300000466489	0	39	-2.0	-113.85	343.73	-0.42	-114.27
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)NN=C1C(N)=O	REAL300000466490	0	42	-2.0	-113.90	361.28	-0.96	-114.86
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)NN=C1C(C)C	REAL300000466490	1	42	-2.0	-113.10	357.83	-0.81	-113.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)=C1	REAL300000466491	0	38	-2.0	-106.21	346.22	-0.08	-106.29
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)=C1	REAL300000466491	1	38	-2.0	-106.53	343.05	0.07	-106.46
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466492	0	44	-2.0	-114.61	368.39	1.55	-113.06
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)C=C1C(=O)[O-]	REAL300000466492	1	44	-2.0	-116.08	368.09	1.59	-114.49
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000466493	0	35	-2.0	-111.78	325.60	-0.56	-112.34
CC(C)C1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(N)=O)=NN1	REAL300000466493	1	35	-2.0	-110.99	328.73	-0.73	-111.72
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466494	0	42	-2.0	-121.36	364.36	0.29	-121.07
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)C=C1C(=O)[O-]	REAL300000466494	1	42	-2.0	-119.82	361.23	0.46	-119.36
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C(N)=O)=NN1	REAL300000466495	0	47	-2.0	-115.61	390.99	2.23	-113.38
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000466495	1	47	-2.0	-114.52	387.87	2.41	-112.11
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)NN=C1C(N)=O	REAL300000466496	0	44	-2.0	-110.77	365.80	1.93	-108.84
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)NN=C1C(C)C	REAL300000466496	1	44	-2.0	-110.84	364.95	1.93	-108.91
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)NN=C1C(N)=O	REAL300000466497	0	45	-2.0	-120.75	387.52	0.78	-119.97
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)NN=C1C(C)C	REAL300000466497	1	45	-2.0	-117.15	384.37	0.94	-116.21
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C(N)=O)=NN1	REAL300000466498	0	40	-3.0	-193.79	365.49	0.79	-193.00
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000466498	1	40	-3.0	-193.00	362.21	0.93	-192.07
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C(N)=O)=NN1	REAL300000466499	0	45	-2.0	-118.39	381.32	2.12	-116.27
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000466499	1	45	-2.0	-117.83	378.06	2.26	-115.57
CC1=C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000466500	0	38	-2.0	-107.94	340.04	-0.63	-108.57
CC1=C(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000466500	1	38	-2.0	-107.56	336.97	-0.47	-108.03
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)=C1	REAL300000466501	0	42	-2.0	-116.30	365.71	-0.71	-117.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)=C1	REAL300000466501	1	42	-2.0	-115.74	362.75	-0.54	-116.28
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)=CC=C1OCC(=O)[O-]	REAL300000466502	0	45	-2.0	-100.67	388.23	1.21	-99.46
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)=CC=C1OCC(=O)[O-]	REAL300000466502	1	45	-2.0	-100.71	385.09	1.37	-99.34
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)NN=C1C(N)=O	REAL300000466503	0	41	-2.0	-105.23	360.54	0.95	-104.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)NN=C1C(C)C	REAL300000466503	1	41	-2.0	-104.45	354.66	1.21	-103.24
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466504	0	45	-2.0	-121.80	386.21	1.20	-120.60
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)C=C1C(=O)[O-]	REAL300000466504	1	45	-2.0	-123.03	383.10	1.37	-121.66
CC1=C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)C=C(C(=O)[O-])S1	REAL300000466505	0	38	-2.0	-110.62	345.68	0.12	-110.50
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000466506	0	38	-2.0	-100.23	346.83	0.98	-99.25
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(N)=O)=NN1	REAL300000466506	1	38	-2.0	-100.22	349.80	0.78	-99.44
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(N)=O)=NN1	REAL300000466507	0	38	-2.0	-102.53	341.59	0.26	-102.27
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000466507	1	38	-2.0	-102.73	338.47	0.43	-102.30
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(N)=O)=NN1	REAL300000466508	0	35	-2.0	-105.08	330.52	-0.68	-105.76
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000466508	1	35	-2.0	-105.12	326.20	-0.49	-105.61
CC(C)C1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(N)=O)=NN1	REAL300000466509	0	38	-2.0	-106.23	343.48	0.29	-105.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)=C1F	REAL300000466510	0	41	-2.0	-112.92	362.50	0.93	-111.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)=C1F	REAL300000466510	1	41	-2.0	-112.33	359.71	1.09	-111.24
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(N)=O)=NN1	REAL300000466511	0	38	-2.0	-102.64	342.21	0.29	-102.35
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000466511	1	38	-2.0	-102.25	339.24	0.49	-101.76
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(N)=O)=NN1	REAL300000466512	0	38	-2.0	-100.56	349.57	0.63	-99.93
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000466512	1	38	-2.0	-100.56	346.46	0.79	-99.77
CC(C)C1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=NN1	REAL300000466513	0	38	-2.0	-104.59	347.90	0.32	-104.27
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000466513	1	38	-2.0	-105.04	344.45	0.46	-104.58
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(N)=O)=NN1	REAL300000466514	0	40	-2.0	-100.48	365.27	0.89	-99.59
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(N)=O)=NN1	REAL300000466515	0	38	-3.0	-214.35	343.23	-1.19	-215.54
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(N)=O)=NN1	REAL300000466515	1	39	-2.0	-111.96	346.47	-2.10	-114.06
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(N)=O)=NN1	REAL300000466516	0	41	-2.0	-105.13	360.25	0.97	-104.16
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000466516	1	41	-2.0	-105.26	358.05	1.04	-104.22
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)NN=C1C(N)=O	REAL300000466517	0	41	-2.0	-113.37	347.07	0.85	-112.52
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(N)=O)NN=C1C(C)C	REAL300000466517	1	41	-2.0	-112.64	346.39	0.89	-111.75
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)=CC(C(=O)[O-])=C1F	REAL300000466518	0	41	-2.0	-114.42	361.92	0.87	-113.55
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)=CC(C(=O)[O-])=C1F	REAL300000466518	1	41	-2.0	-115.42	358.77	1.04	-114.38
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)NN=C1C(N)=O	REAL300000466519	0	41	-2.0	-102.72	352.16	0.99	-101.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(N)=O)NN=C1C(C)C	REAL300000466519	1	41	-2.0	-102.45	349.36	1.17	-101.28
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)=CC(C(=O)[O-])=C1C	REAL300000466520	0	44	-2.0	-118.12	369.91	1.29	-116.83
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)=CC(C(=O)[O-])=C1C	REAL300000466520	1	44	-2.0	-119.86	375.21	1.40	-118.46
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000466521	0	40	-2.0	-114.15	363.89	1.23	-112.92
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(N)=O)=NN1	REAL300000466521	1	40	-2.0	-114.06	363.66	1.31	-112.75
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(N)=O)=NN1	REAL300000466522	0	38	-2.0	-103.59	348.50	0.35	-103.24
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000466522	1	38	-2.0	-103.86	345.54	0.54	-103.32
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)C(C)=C1C(=O)[O-]	REAL300000466523	0	44	-2.0	-117.70	371.11	1.60	-116.10
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)C(C)=C1C(=O)[O-]	REAL300000466523	1	44	-2.0	-117.25	370.88	1.62	-115.63
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466524	0	41	-2.0	-112.11	358.40	0.84	-111.27
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)C=C1C(=O)[O-]	REAL300000466524	1	41	-2.0	-113.97	362.79	0.90	-113.07
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)=C1	REAL300000466525	0	41	-2.0	-121.68	361.76	0.92	-120.76
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)=C1	REAL300000466525	1	41	-2.0	-120.73	358.79	1.11	-119.62
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466526	0	44	-2.0	-117.25	372.49	1.37	-115.88
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)C=C1C(=O)[O-]	REAL300000466526	1	44	-2.0	-116.00	367.61	1.57	-114.43
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)C=C1CC(=O)[O-]	REAL300000466527	0	45	-2.0	-119.48	387.55	0.35	-119.13
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)C=C1CC(=O)[O-]	REAL300000466527	1	45	-2.0	-117.98	384.41	0.51	-117.47
CCN1C=C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466528	0	42	-2.0	-114.86	364.70	0.43	-114.43
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)=CC=C1C(=O)[O-]	REAL300000466529	0	41	-2.0	-103.24	352.95	0.79	-102.45
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)=CC=C1C(=O)[O-]	REAL300000466529	1	41	-2.0	-103.15	351.62	0.82	-102.33
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)NN=C1C(N)=O	REAL300000466530	0	41	-2.0	-111.22	357.03	1.03	-110.19
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)NN=C1C(C)C	REAL300000466530	1	41	-2.0	-110.39	353.58	1.19	-109.20
CC(C)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C(N)=O)=NN1	REAL300000466531	0	40	-2.0	-123.70	360.80	2.06	-121.64
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000466531	1	40	-2.0	-124.26	357.71	2.24	-122.02
CC(C)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(N)=O)=NN1	REAL300000466532	0	38	-2.0	-120.59	340.41	0.26	-120.33
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000466532	1	38	-2.0	-122.10	337.60	0.42	-121.68
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466533	0	41	-2.0	-109.04	362.21	0.89	-108.15
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)C=C1C(=O)[O-]	REAL300000466533	1	41	-2.0	-107.11	358.21	0.80	-106.31
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(N)=O)=NN1	REAL300000466534	0	37	-2.0	-113.43	333.29	-1.64	-115.07
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000466534	1	37	-2.0	-113.84	330.15	-1.47	-115.31
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)NN=C1C(N)=O	REAL300000466535	0	42	-2.0	-107.02	365.29	0.02	-107.00
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(N)=O)NN=C1C(C)C	REAL300000466535	1	42	-2.0	-106.68	361.98	0.17	-106.51
CC(C)C1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(N)=O)=NN1	REAL300000466536	0	35	-2.0	-102.98	337.23	-0.79	-103.77
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000466536	1	35	-2.0	-102.38	333.78	-0.65	-103.03
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(N)=O)=NN1	REAL300000466537	0	45	-2.0	-108.08	384.21	2.07	-106.01
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000466537	1	45	-2.0	-107.70	380.09	2.27	-105.43
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(N)=O)=NN1	REAL300000466538	0	45	-2.0	-113.97	381.17	2.09	-111.88
CC(C)C1=NNC(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000466538	1	45	-2.0	-113.97	378.04	2.25	-111.72
CCC1=C(S(=O)(=O)[N-]C2=C(C(C)C)NN=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000466539	0	41	-2.0	-107.47	359.21	0.22	-107.25
CCC1=C(S(=O)(=O)[N-]C2=C(C(N)=O)NN=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000466539	1	41	-2.0	-106.59	355.04	0.36	-106.23
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000466540	1	40	-2.0	-109.51	364.23	6.96	-102.55
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000466542	1	40	-2.0	-110.81	359.69	6.93	-103.88
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000466543	0	44	-2.0	-116.75	387.82	6.72	-110.03
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000466544	1	44	-2.0	-98.29	391.13	8.23	-90.06
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000466546	0	40	-2.0	-106.75	372.76	7.50	-99.25
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000466547	1	40	-2.0	-107.95	372.20	7.33	-100.62
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000466548	1	46	-2.0	-114.06	392.37	8.28	-105.78
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000466549	0	40	-2.0	-108.51	365.17	6.99	-101.52
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000466550	1	46	-2.0	-97.78	403.24	8.52	-89.26
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000466551	0	37	-2.0	-105.09	352.87	5.94	-99.15
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000466552	1	43	-2.0	-111.99	375.11	7.71	-104.28
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000466554	1	41	-2.0	-109.28	366.33	6.28	-103.00
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000466556	0	40	-2.0	-101.92	368.79	6.61	-95.31
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000466558	0	37	-2.0	-106.53	351.34	5.96	-100.57
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)C(=O)OC)=C1	REAL300000466560	1	46	-2.0	-110.37	389.84	8.65	-101.72
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000466561	0	40	-2.0	-104.82	362.70	6.07	-98.75
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000466562	0	44	-2.0	-113.09	388.68	6.02	-107.07
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000466563	1	43	-2.0	-102.47	380.39	7.75	-94.72
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000466564	1	40	-2.0	-108.40	368.29	6.82	-101.58
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000466565	0	40	-2.0	-96.39	372.74	7.49	-88.90
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000466566	1	40	-2.0	-98.10	364.21	6.97	-91.13
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000466567	0	37	-2.0	-100.67	351.96	6.06	-94.61
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000466568	1	40	-2.0	-101.68	366.09	6.99	-94.69
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000466569	0	43	-2.0	-109.96	385.44	7.63	-102.33
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000466570	0	40	-2.0	-98.34	365.15	7.00	-91.34
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000466571	1	40	-2.0	-96.21	372.18	7.33	-88.88
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000466572	1	40	-2.0	-100.78	370.51	7.02	-93.76
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000466573	0	41	-2.0	-111.09	369.40	4.65	-106.44
COC(=O)C(C)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000466573	1	41	-2.0	-106.69	368.49	5.52	-101.17
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000466574	1	43	-2.0	-102.55	381.85	7.72	-94.83
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000466575	1	43	-2.0	-108.06	369.74	7.56	-100.50
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000466576	1	43	-2.0	-110.98	384.52	7.58	-103.40
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000466579	0	40	-2.0	-100.03	371.45	7.06	-92.97
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000466581	0	43	-2.0	-110.86	385.01	7.62	-103.24
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000466582	0	43	-2.0	-116.99	384.71	7.62	-109.37
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000466583	1	46	-2.0	-112.71	393.63	8.12	-104.59
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000466584	1	44	-2.0	-111.63	387.81	7.14	-104.49
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000466587	0	40	-2.0	-116.11	363.34	6.97	-109.14
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000466588	1	43	-2.0	-104.54	384.63	7.61	-96.93
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000466589	0	39	-2.0	-108.74	356.67	4.99	-103.75
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000466590	0	44	-2.0	-103.14	387.88	6.74	-96.40
COC(=O)C(C)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000466591	0	37	-2.0	-98.70	359.84	5.91	-92.79
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000466592	0	43	-2.0	-104.73	381.82	6.92	-97.81
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(F)=C1Br	REAL300000466593	1	31	-2.0	-90.04	310.84	6.25	-83.79
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(F)=C1Br	REAL300000466594	1	31	-2.0	-102.16	310.85	6.24	-95.92
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(F)=C1Br	REAL300000466595	0	28	-2.0	-96.39	304.04	5.26	-91.13
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(F)=C1Br	REAL300000466596	0	32	-2.0	-100.54	317.50	5.60	-94.94
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(F)=C1Br	REAL300000466597	0	28	-2.0	-97.89	302.50	5.28	-92.61
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(Br)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000466598	0	31	-2.0	-96.75	313.86	5.38	-91.37
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(F)=C1Br	REAL300000466599	0	28	-2.0	-91.44	303.12	5.37	-86.07
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(F)=C1Br	REAL300000466600	0	30	-2.0	-99.63	307.07	4.37	-95.26
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)N=NN1C	REAL300000466601	0	37	-2.0	-97.67	342.95	1.54	-96.13
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)N=NN1C	REAL300000466602	0	30	-2.0	-113.70	291.04	2.98	-110.72
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C)N=N1	REAL300000466603	0	38	-2.0	-116.11	346.09	4.06	-112.05
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)N=NN1C	REAL300000466604	0	30	-2.0	-112.02	302.89	3.66	-108.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C)N=N1	REAL300000466605	0	34	-2.0	-122.96	314.62	2.77	-120.19
CC1=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)N=NN1C	REAL300000466606	0	30	-2.0	-111.76	302.75	3.44	-108.32
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)N=NN1C	REAL300000466607	0	34	-2.0	-103.69	317.94	4.24	-99.45
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)N=NN1C	REAL300000466608	0	33	-2.0	-117.53	302.51	3.48	-114.05
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)N=NN1C	REAL300000466609	0	30	-2.0	-112.68	299.54	3.53	-109.15
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)N=NN1C	REAL300000466610	0	30	-2.0	-112.16	299.01	3.34	-108.82
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)N=NN1C	REAL300000466611	0	30	-2.0	-108.23	312.04	3.90	-104.33
CC1=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)N=NN1C	REAL300000466612	0	36	-2.0	-120.27	319.58	4.29	-115.98
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)N=NN1C	REAL300000466613	0	30	-2.0	-114.38	291.95	3.01	-111.37
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)N=NN1C	REAL300000466614	0	36	-2.0	-103.20	330.07	4.54	-98.66
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)N=NN1C	REAL300000466615	0	27	-2.0	-110.62	279.66	1.97	-108.65
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)N=NN1C	REAL300000466616	0	33	-2.0	-118.43	301.91	3.73	-114.70
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)N=NN1C	REAL300000466617	0	34	-2.0	-102.33	317.55	3.23	-99.10
CC1=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)N=NN1C	REAL300000466618	0	41	-2.0	-98.89	363.33	4.01	-94.88
CC1=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)N=NN1C	REAL300000466619	0	27	-2.0	-108.09	296.66	2.74	-105.35
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)N=NN1C	REAL300000466620	0	34	-2.0	-118.69	310.68	1.77	-116.92
CC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)N=NN1C	REAL300000466621	0	30	-2.0	-111.06	311.39	3.59	-107.47
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)N(C)N=N2)=C1	REAL300000466622	0	30	-2.0	-106.40	295.59	2.64	-103.76
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)N=NN1C	REAL300000466623	0	36	-2.0	-119.79	318.90	4.31	-115.48
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)N=NN1C	REAL300000466624	0	27	-2.0	-112.07	278.15	1.98	-110.09
COC1=CC(S(=O)(=O)[N-]C2=C(C)N(C)N=N2)=CC(C(=O)[O-])=C1OC	REAL300000466625	0	38	-2.0	-116.42	345.73	2.80	-113.62
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C)N=N2)C=C1C(=O)[O-]	REAL300000466626	0	34	-2.0	-122.27	313.79	3.02	-119.25
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)N=NN1C	REAL300000466627	0	40	-2.0	-122.24	342.64	5.63	-116.61
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)N=NN1C	REAL300000466628	0	39	-2.0	-120.79	340.37	4.97	-115.82
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C)N=N1	REAL300000466629	0	36	-2.0	-116.97	316.23	4.68	-112.29
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C)N=N1	REAL300000466630	0	37	-2.0	-122.58	336.90	3.53	-119.05
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)N=NN1C	REAL300000466631	0	32	-3.0	-189.89	315.81	3.55	-186.34
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)N=NN1C	REAL300000466632	0	37	-2.0	-122.60	330.72	4.84	-117.76
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C)N=N2)C=C(C(=O)[O-])O1	REAL300000466633	0	30	-2.0	-110.65	289.48	2.09	-108.56
CC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)N=NN1C	REAL300000466634	0	36	-2.0	-121.01	328.66	2.72	-118.29
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)N=NN1C	REAL300000466635	0	34	-2.0	-116.84	315.46	2.05	-114.79
CC1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)N=NN1C	REAL300000466636	0	38	-2.0	-103.78	340.13	3.57	-100.21
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)N=NN1C	REAL300000466637	0	30	-2.0	-105.66	315.08	3.84	-101.82
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)N=NN1C	REAL300000466638	0	30	-2.0	-109.23	304.07	3.54	-105.69
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)N=NN1C	REAL300000466639	0	34	-2.0	-100.73	333.60	3.77	-96.96
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)N=NN1C	REAL300000466640	0	37	-2.0	-102.77	337.64	3.94	-98.83
CC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)N=NN1C	REAL300000466641	0	40	-2.0	-101.71	366.24	4.20	-97.51
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)N=NN1C	REAL300000466642	0	33	-2.0	-108.55	307.18	3.76	-104.79
CC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)N=NN1C	REAL300000466643	0	43	-2.0	-103.18	380.10	4.87	-98.31
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)N=NN1C	REAL300000466644	0	34	-2.0	-101.62	323.79	3.30	-98.32
CC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)N=NN1C	REAL300000466645	0	40	-2.0	-101.48	376.04	4.69	-96.79
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C)N=N2)C=C1C(=O)[O-]	REAL300000466646	0	37	-2.0	-122.88	335.64	3.93	-118.95
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C)N=N2)C=C(C(=O)[O-])S1	REAL300000466647	0	30	-2.0	-114.57	295.10	2.85	-111.72
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)N=NN1C	REAL300000466648	0	30	-2.0	-106.21	314.70	3.98	-102.23
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)N=NN1C	REAL300000466649	0	30	-2.0	-100.93	299.52	3.52	-97.41
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)N=NN1C	REAL300000466650	0	30	-2.0	-100.38	302.87	3.66	-96.72
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)N=NN1C	REAL300000466651	0	30	-2.0	-102.90	291.02	2.99	-99.91
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)N=NN1C	REAL300000466652	0	27	-2.0	-105.33	278.73	2.09	-103.24
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)N=NN1C	REAL300000466653	0	30	-2.0	-107.01	293.81	3.05	-103.96
CC1=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)N=NN1C	REAL300000466654	0	33	-2.0	-115.77	312.23	3.65	-112.12
COC1=CC(S(=O)(=O)[N-]C2=C(C)N(C)N=N2)=C(Cl)C=C1C(=O)[O-]	REAL300000466655	0	34	-2.0	-105.43	326.78	3.59	-101.84
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)N=NN1C	REAL300000466656	0	30	-2.0	-102.74	291.94	3.02	-99.72
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)N=NN1C	REAL300000466657	0	30	-2.0	-101.07	298.99	3.35	-97.72
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)N=NN1C	REAL300000466658	0	33	-2.0	-110.35	315.92	4.15	-106.20
CC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)N=NN1C	REAL300000466659	0	33	-2.0	-105.24	318.27	4.30	-100.94
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)N=NN1C	REAL300000466660	0	38	-2.0	-100.51	350.22	4.36	-96.15
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)N=NN1C	REAL300000466661	0	30	-2.0	-100.62	302.73	3.45	-97.17
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)N=NN1C	REAL300000466662	0	30	-2.0	-104.97	298.22	3.08	-101.89
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)N=NN1C	REAL300000466663	0	32	-2.0	-101.04	314.67	3.62	-97.42
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)N=NN1C	REAL300000466664	0	31	-2.0	-117.63	296.19	0.68	-116.95
CC1=C([N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)N=NN1C	REAL300000466665	0	33	-2.0	-110.00	321.28	4.05	-105.95
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)N=NN1C	REAL300000466666	0	33	-2.0	-108.23	308.67	3.74	-104.49
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)N=NN1C	REAL300000466667	0	30	-2.0	-106.46	308.11	3.52	-102.94
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)N=NN1C	REAL300000466668	0	33	-2.0	-111.45	296.55	3.59	-107.86
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)N=NN1C	REAL300000466669	0	33	-2.0	-110.91	319.94	4.24	-106.67
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)N=NN1C	REAL300000466670	0	33	-2.0	-114.93	312.24	3.64	-111.29
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)N=NN1C	REAL300000466671	0	33	-2.0	-103.94	301.89	3.72	-100.22
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)N=NN1C	REAL300000466672	0	36	-2.0	-119.39	319.95	4.03	-115.36
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)N=NN1C	REAL300000466673	0	32	-2.0	-114.18	313.96	4.07	-110.11
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)N=NN1C	REAL300000466674	0	30	-2.0	-105.62	298.21	3.07	-102.55
CC1=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)N=NN1C	REAL300000466675	0	27	-2.0	-103.02	299.05	2.64	-100.38
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)N=NN1C	REAL300000466676	0	36	-2.0	-115.60	320.96	4.34	-111.26
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)N=NN1C	REAL300000466677	0	33	-2.0	-115.59	307.95	3.55	-112.04
CC1=C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)N=NN1C	REAL300000466678	0	33	-2.0	-114.48	318.24	4.10	-110.38
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)N=NN1C	REAL300000466679	0	33	-2.0	-119.94	311.49	3.64	-116.30
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C)N=N2)C=C1C(=O)[O-]	REAL300000466680	0	36	-2.0	-118.31	320.81	4.14	-114.17
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)N=NN1C	REAL300000466681	0	30	-2.0	-108.69	307.42	3.68	-105.01
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C)N=N2)C=C1CC(=O)[O-]	REAL300000466682	0	37	-2.0	-118.99	336.96	3.08	-115.91
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)N=NN1C	REAL300000466683	0	33	-2.0	-104.81	313.70	4.19	-100.62
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)N=NN1C	REAL300000466684	0	33	-2.0	-100.03	317.52	3.80	-96.23
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)N=NN1C	REAL300000466685	0	33	-2.0	-113.82	318.63	3.94	-109.88
CC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)N=NN1C	REAL300000466686	0	30	-2.0	-108.97	308.69	3.60	-105.37
CC1=C([N-]S(=O)(=O)C2=C(Br)C(C)=CC(C(=O)[O-])=C2)N=NN1C	REAL300000466687	0	33	-2.0	-114.08	321.05	4.22	-109.86
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(C)N=N2)C=C1C(=O)[O-]	REAL300000466688	0	34	-2.0	-115.90	314.51	3.17	-112.73
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)N=NN1C	REAL300000466689	0	42	-2.0	-115.50	351.64	5.83	-109.67
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)N=NN1C	REAL300000466690	0	30	-2.0	-104.07	308.58	3.71	-100.36
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)N=NN1C	REAL300000466691	0	30	-2.0	-104.24	312.08	3.50	-100.74
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)N=NN1C	REAL300000466692	0	34	-2.0	-102.44	331.17	3.26	-99.18
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)N=NN1C	REAL300000466693	0	33	-2.0	-109.49	317.27	3.95	-105.54
CC1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)N=NN1C	REAL300000466694	0	39	-2.0	-114.09	335.92	5.06	-109.03
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)N(C)N=N2)C=C1C(=O)[O-]	REAL300000466695	0	34	-2.0	-118.31	326.80	3.59	-114.72
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)N=NN1C	REAL300000466696	0	33	-2.0	-103.66	303.41	3.53	-100.13
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])N=NN1C	REAL300000466697	0	35	-2.0	-107.87	329.74	5.17	-102.70
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)N=NN1C	REAL300000466698	0	33	-2.0	-115.65	306.43	3.76	-111.89
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])N=NN1C	REAL300000466699	0	32	-2.0	-122.11	310.20	4.83	-117.28
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)N=NN1C	REAL300000466700	0	30	-2.0	-119.14	290.11	2.97	-116.17
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)N=NN1C	REAL300000466701	0	33	-2.0	-107.81	308.57	3.56	-104.25
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)N=NN1C	REAL300000466702	0	36	-2.0	-124.56	327.53	5.07	-119.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)N(C)N=N1	REAL300000466703	0	34	-2.0	-108.01	314.68	2.77	-105.24
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)N=NN1C	REAL300000466704	0	27	-2.0	-104.21	286.58	1.92	-102.29
CC1=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)N=NN1C	REAL300000466705	0	34	-2.0	-111.47	330.28	3.50	-107.97
CC1=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)N=NN1C	REAL300000466706	0	33	-2.0	-106.71	329.82	0.00	-106.71
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)N=NN1C	REAL300000466707	0	37	-2.0	-110.98	333.53	4.87	-106.11
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)N=NN1C	REAL300000466708	0	37	-2.0	-112.80	332.84	4.87	-107.93
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(C)N=N2)C=C(C(=O)[O-])O1	REAL300000466709	0	33	-2.0	-110.65	308.60	2.95	-107.70
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C(N)=O)=N1	REAL300000466710	0	39	-2.0	-96.62	365.15	-1.80	-98.42
CN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466711	0	32	-2.0	-113.44	313.24	-0.35	-113.79
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(N)=O	REAL300000466712	0	40	-2.0	-112.70	368.31	0.73	-111.97
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(N)=O)=N1	REAL300000466713	0	32	-2.0	-103.68	308.67	-0.38	-104.06
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466714	0	32	-2.0	-115.93	308.70	-0.39	-116.32
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(N)=O	REAL300000466715	0	36	-2.0	-119.74	336.84	-0.56	-120.30
CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(N)=O)=N1	REAL300000466716	0	36	-2.0	-102.65	340.14	0.91	-101.74
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466717	0	35	-2.0	-117.23	324.71	0.15	-117.08
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(N)=O)=N1	REAL300000466718	0	32	-2.0	-110.04	321.77	0.19	-109.85
CN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466719	0	32	-2.0	-111.84	321.20	0.01	-111.83
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C(C(N)=O)=N1	REAL300000466720	0	32	-2.0	-105.85	334.26	0.56	-105.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)=C1C	REAL300000466721	0	38	-2.0	-116.79	341.80	0.94	-115.85
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(N)=O)=N1	REAL300000466722	0	32	-2.0	-111.92	314.17	-0.32	-112.24
CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(N)=O)=N1	REAL300000466723	0	38	-2.0	-101.66	352.26	1.21	-100.45
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(N)=O)=N1	REAL300000466724	0	29	-2.0	-110.49	301.88	-1.35	-111.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(N)=O	REAL300000466725	0	35	-2.0	-114.86	324.13	0.40	-114.46
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(N)=O)=N1	REAL300000466726	0	36	-2.0	-101.41	339.76	-0.10	-101.51
CN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466727	0	33	-2.0	-114.68	315.34	-1.03	-115.71
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(N)=O	REAL300000466728	0	36	-2.0	-114.99	332.90	-1.57	-116.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)=C1	REAL300000466729	0	32	-2.0	-106.62	317.83	-0.69	-107.31
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466730	0	38	-2.0	-116.14	340.14	0.93	-115.21
CN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466731	0	29	-2.0	-111.83	300.34	-1.33	-113.16
COC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)=CC(C(=O)[O-])=C1OC	REAL300000466732	0	40	-2.0	-116.95	367.01	-0.57	-117.52
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466733	0	36	-2.0	-121.95	335.99	-0.32	-122.27
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(C(N)=O)=N1	REAL300000466734	0	42	-2.0	-118.99	363.93	2.26	-116.73
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(N)=O	REAL300000466735	0	41	-2.0	-116.80	362.59	1.64	-115.16
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(N)=O	REAL300000466736	0	38	-2.0	-111.91	337.18	1.33	-110.58
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(N)=O	REAL300000466737	0	39	-2.0	-121.93	359.13	0.19	-121.74
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466738	0	34	-3.0	-192.86	337.10	0.18	-192.68
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C(N)=O)=N1	REAL300000466739	0	39	-2.0	-119.27	352.94	1.52	-117.75
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000466740	0	32	-2.0	-108.86	311.70	-1.24	-110.10
CN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466741	0	38	-2.0	-121.20	350.87	-0.61	-121.81
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)=C1	REAL300000466742	0	36	-2.0	-119.14	337.61	-1.27	-120.41
CN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C(C(N)=O)=N1	REAL300000466743	0	40	-2.0	-102.05	361.61	0.22	-101.83
CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466744	0	32	-2.0	-105.76	336.37	0.47	-105.29
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(C(N)=O)=N1	REAL300000466745	0	32	-2.0	-106.86	326.29	0.22	-106.64
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C(C(N)=O)=N1	REAL300000466746	0	36	-2.0	-99.97	355.79	0.44	-99.53
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)=CC=C1OCC(=O)[O-]	REAL300000466747	0	39	-2.0	-101.98	359.85	0.61	-101.37
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(N)=O	REAL300000466748	0	35	-2.0	-105.99	329.40	0.43	-105.56
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)=CC=C1OCCCC(=O)[O-]	REAL300000466749	0	45	-2.0	-101.56	402.31	1.54	-100.02
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C(N)=O)=N1	REAL300000466750	0	36	-2.0	-100.95	345.99	-0.04	-100.99
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466751	0	39	-2.0	-122.68	357.83	0.59	-122.09
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C=C(C(=O)[O-])S1	REAL300000466752	0	32	-2.0	-111.55	317.32	-0.48	-112.03
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C(C(N)=O)=N1	REAL300000466753	0	32	-2.0	-104.29	336.92	0.64	-103.65
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(N)=O)=N1	REAL300000466754	0	32	-2.0	-101.22	321.74	0.18	-101.04
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(N)=O)=N1	REAL300000466755	0	32	-2.0	-103.20	313.23	-0.34	-103.54
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(N)=O)=N1	REAL300000466756	0	29	-2.0	-105.50	300.95	-1.25	-106.75
CN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466757	0	32	-2.0	-106.94	315.11	-0.32	-107.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)=C1F	REAL300000466758	0	35	-2.0	-113.49	334.44	0.31	-113.18
COC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)=C(Cl)C=C1C(=O)[O-]	REAL300000466759	0	36	-2.0	-106.01	349.01	0.24	-105.77
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(N)=O)=N1	REAL300000466760	0	32	-2.0	-103.37	314.16	-0.31	-103.68
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(N)=O)=N1	REAL300000466761	0	32	-2.0	-101.25	321.20	0.02	-101.23
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(N)=O	REAL300000466762	0	35	-2.0	-107.56	338.14	0.82	-106.74
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(C(N)=O)=N1	REAL300000466763	0	40	-2.0	-99.24	372.43	1.03	-98.21
CN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466764	0	32	-2.0	-105.17	319.51	-0.29	-105.46
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466765	0	34	-2.0	-101.16	336.88	0.28	-100.88
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(N)=O)=N1	REAL300000466766	0	32	-3.0	-213.46	314.85	-1.77	-215.23
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(N)=O)=N1	REAL300000466766	1	33	-2.0	-112.89	318.41	-2.65	-115.54
CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(N)=O)=N1	REAL300000466767	0	35	-2.0	-106.13	330.86	0.40	-105.73
CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466768	0	32	-2.0	-106.63	329.40	0.15	-106.48
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(N)=O	REAL300000466769	0	35	-2.0	-113.59	318.73	0.25	-113.34
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)=CC(C(=O)[O-])=C1F	REAL300000466770	0	35	-2.0	-115.00	333.53	0.27	-114.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(N)=O	REAL300000466771	0	35	-2.0	-103.51	324.11	0.39	-103.12
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)=CC(C(=O)[O-])=C1C	REAL300000466772	0	38	-2.0	-119.26	341.57	0.68	-118.58
CN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466773	0	34	-2.0	-114.46	335.25	0.71	-113.75
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(N)=O)=N1	REAL300000466774	0	32	-2.0	-104.12	320.43	-0.26	-104.38
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C(C)=C1C(=O)[O-]	REAL300000466775	0	38	-2.0	-117.94	343.17	1.00	-116.94
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466776	0	35	-2.0	-113.14	330.17	0.22	-112.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)=C1Cl	REAL300000466777	0	35	-2.0	-111.94	340.48	0.76	-111.18
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)=C1	REAL300000466778	0	35	-2.0	-122.61	333.71	0.31	-122.30
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466779	0	38	-2.0	-117.85	343.02	0.80	-117.05
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C=C1CC(=O)[O-]	REAL300000466780	0	39	-2.0	-120.27	359.17	-0.25	-120.52
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(N)=O	REAL300000466781	0	35	-2.0	-106.54	334.96	0.80	-105.74
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(C(N)=O)=N1	REAL300000466782	0	35	-2.0	-100.23	338.82	0.42	-99.81
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)=CC(C(=O)[O-])=C1Cl	REAL300000466783	0	35	-2.0	-113.75	339.92	0.57	-113.18
CCN1C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466784	0	36	-2.0	-116.02	336.72	-0.16	-116.18
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C(C)=C1CC(=O)[O-]	REAL300000466785	0	44	-2.0	-118.48	373.84	2.49	-115.99
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C(C(N)=O)=N1	REAL300000466786	0	32	-2.0	-102.78	334.30	0.17	-102.61
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466787	0	35	-2.0	-109.51	338.56	0.58	-108.93
CN1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466788	0	41	-2.0	-111.11	358.13	1.74	-109.37
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466789	0	36	-2.0	-115.61	349.02	0.26	-115.35
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)=CC=C1C(=O)[O-]	REAL300000466790	0	35	-2.0	-103.84	324.70	0.16	-103.68
CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(C(N)=O)=N1	REAL300000466791	0	37	-2.0	-107.04	351.95	1.81	-105.23
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(N)=O	REAL300000466792	0	35	-2.0	-112.22	328.65	0.43	-111.79
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C(N)=O)=N1	REAL300000466793	0	34	-2.0	-124.40	332.42	1.49	-122.91
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(N)=O)=N1	REAL300000466794	0	32	-2.0	-121.71	312.35	-0.35	-122.06
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C=C1C(=O)[O-]	REAL300000466795	0	35	-2.0	-107.85	329.86	0.19	-107.66
CN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466796	0	38	-2.0	-124.54	349.74	1.75	-122.79
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(N)=O)=N1	REAL300000466797	0	31	-2.0	-113.81	304.90	-2.25	-116.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(N)=O	REAL300000466798	0	36	-2.0	-107.71	336.90	-0.57	-108.28
CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(N)=O)=N1	REAL300000466799	0	29	-2.0	-103.51	308.79	-1.38	-104.89
CN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(N)=O)=N1	REAL300000466800	0	39	-2.0	-109.27	354.82	1.50	-107.77
CN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(N)=O)=N1	REAL300000466801	0	39	-2.0	-114.84	352.78	1.49	-113.35
CCC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000466802	0	35	-2.0	-108.04	330.83	-0.38	-108.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=CC=C1F	REAL300000466803	1	36	-2.0	-101.49	328.32	3.57	-97.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1	REAL300000466804	1	36	-2.0	-92.39	323.78	3.55	-88.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1	REAL300000466805	1	36	-2.0	-104.92	323.79	3.54	-101.38
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCNC2=O	REAL300000466806	0	40	-2.0	-110.90	351.94	3.34	-107.56
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1	REAL300000466807	1	40	-2.0	-92.49	355.25	4.84	-87.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1C(=O)[O-]	REAL300000466808	1	39	-2.0	-104.79	339.80	4.08	-100.71
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1	REAL300000466809	0	36	-2.0	-101.06	336.86	4.12	-96.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=CC=C1Cl	REAL300000466810	1	36	-2.0	-99.75	336.29	3.94	-95.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1C	REAL300000466811	1	42	-2.0	-108.66	356.89	4.88	-103.78
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1	REAL300000466812	0	36	-2.0	-102.42	329.27	3.61	-98.81
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1	REAL300000466813	1	42	-2.0	-91.65	367.34	5.13	-86.52
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1	REAL300000466814	0	33	-2.0	-99.23	316.98	2.56	-96.67
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCNC2=O	REAL300000466815	1	39	-2.0	-106.87	339.22	4.33	-102.54
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1	REAL300000466816	1	40	-2.0	-91.04	354.87	3.82	-87.22
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1C(=O)[O-]	REAL300000466817	0	37	-2.0	-103.23	330.44	2.89	-100.34
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCNC2=O	REAL300000466818	1	40	-2.0	-107.17	348.00	2.36	-104.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1	REAL300000466819	0	36	-2.0	-94.79	332.90	3.22	-91.57
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1C(=O)[O-]	REAL300000466820	1	42	-2.0	-107.99	355.24	4.86	-103.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=CS1	REAL300000466821	0	33	-2.0	-99.78	315.43	2.58	-97.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1C(=O)[O-]	REAL300000466822	1	40	-2.0	-110.74	351.08	3.61	-107.13
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCNC2=O	REAL300000466823	1	45	-2.0	-108.88	377.69	5.55	-103.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCNC2=O	REAL300000466824	1	42	-2.0	-105.46	350.65	5.12	-100.34
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCNC2=O	REAL300000466825	0	43	-2.0	-110.47	374.22	4.11	-106.36
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2CCNC3=O)=CC(C(=O)[O-])=C1	REAL300000466826	0	39	-2.0	-110.51	351.46	4.04	-106.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=CC(C(=O)[O-])=C1	REAL300000466826	1	38	-3.0	-177.71	352.19	4.11	-173.60
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1	REAL300000466827	1	43	-2.0	-110.77	368.04	5.44	-105.33
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C(C(=O)[O-])O1	REAL300000466828	0	36	-2.0	-99.71	326.80	2.68	-97.03
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1	REAL300000466829	0	40	-2.0	-103.59	352.71	2.63	-100.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C(Cl)C=C1F	REAL300000466830	0	36	-2.0	-98.06	341.38	4.14	-93.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=CC=C1OCC(=O)[O-]	REAL300000466831	1	43	-2.0	-91.34	374.94	4.52	-86.82
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCNC2=O	REAL300000466832	1	39	-2.0	-97.29	344.49	4.36	-92.93
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1F	REAL300000466833	1	40	-2.0	-90.58	361.08	3.89	-86.69
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1C(=O)[O-]	REAL300000466834	1	43	-2.0	-111.35	372.92	4.52	-106.83
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C(C(=O)[O-])S1	REAL300000466835	0	36	-2.0	-103.29	332.42	3.43	-99.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C(Cl)=C1	REAL300000466836	0	36	-2.0	-89.89	336.83	4.11	-85.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1F	REAL300000466837	1	36	-2.0	-92.12	328.32	3.58	-88.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)S1	REAL300000466838	0	33	-2.0	-93.75	316.05	2.67	-91.08
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1	REAL300000466839	1	36	-2.0	-95.03	330.19	3.61	-91.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1F	REAL300000466840	0	39	-2.0	-103.80	349.54	4.25	-99.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C(F)=C1	REAL300000466841	0	36	-2.0	-91.40	329.24	3.62	-87.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1Cl	REAL300000466842	1	36	-2.0	-90.06	336.29	3.95	-86.11
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCNC2=O	REAL300000466843	1	39	-2.0	-99.01	353.23	4.74	-94.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=CC(F)=C1F	REAL300000466844	1	36	-2.0	-94.24	334.60	3.64	-90.60
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1	REAL300000466845	0	38	-2.0	-90.05	351.97	4.21	-85.84
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1	REAL300000466846	0	37	-2.0	-106.06	333.51	1.26	-104.80
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC3=C2CCNC3=O)=C1	REAL300000466846	1	37	-2.0	-108.72	328.30	1.56	-107.16
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1	REAL300000466847	1	39	-2.0	-96.24	345.94	4.33	-91.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=CC(Cl)=C1F	REAL300000466848	1	36	-2.0	-95.64	344.49	4.07	-91.57
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCNC2=O	REAL300000466849	1	39	-2.0	-99.25	333.86	4.18	-95.07
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=CC(C(=O)[O-])=C1F	REAL300000466850	1	39	-2.0	-103.92	348.63	4.19	-99.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCNC2=O	REAL300000466851	1	39	-2.0	-92.98	339.20	4.32	-88.66
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=CC(C(=O)[O-])=C1C	REAL300000466852	1	42	-2.0	-106.64	356.66	4.60	-102.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=CC=C1[N+](=O)[O-]	REAL300000466853	0	38	-2.0	-102.44	350.34	4.64	-97.80
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1	REAL300000466854	0	36	-2.0	-93.97	335.54	3.67	-90.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C(C)=C1C(=O)[O-]	REAL300000466855	1	42	-2.0	-103.32	358.27	4.93	-98.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1C(=O)[O-]	REAL300000466856	0	39	-2.0	-103.47	345.27	4.14	-99.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1Cl	REAL300000466857	0	39	-2.0	-102.82	355.55	4.67	-98.15
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1	REAL300000466858	0	39	-2.0	-107.34	348.79	4.24	-103.10
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1C(=O)[O-]	REAL300000466859	1	42	-2.0	-105.46	357.75	4.72	-100.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1CC(=O)[O-]	REAL300000466860	1	43	-2.0	-106.29	374.25	3.68	-102.61
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCNC2=O	REAL300000466861	1	39	-2.0	-92.99	350.05	4.73	-88.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=CC(C(=O)[O-])=C1Cl	REAL300000466862	1	39	-2.0	-102.52	355.02	4.49	-98.03
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1C(=O)[O-]	REAL300000466863	0	40	-2.0	-104.42	351.81	3.76	-100.66
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1C(=O)[O-]	REAL300000466864	1	39	-2.0	-98.16	353.65	4.51	-93.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=CC=C1C(=O)[O-]	REAL300000466865	1	39	-2.0	-92.49	339.79	4.09	-88.40
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCNC2=O	REAL300000466866	1	39	-2.0	-104.46	343.75	4.37	-100.09
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=C3CCNC(=O)C3=CC=C2)=CC=C1	REAL300000466867	0	38	-2.0	-109.37	347.54	5.40	-103.97
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1F	REAL300000466868	0	36	-2.0	-106.61	327.43	3.57	-103.04
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C1C(=O)[O-]	REAL300000466869	1	39	-2.0	-96.52	344.95	4.12	-92.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCNC(=O)C3=CC=C2)=CC2=CC=CC=C21	REAL300000466870	1	42	-2.0	-111.46	364.83	5.66	-105.80
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C1	REAL300000466871	0	35	-2.0	-102.28	320.02	1.66	-100.62
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCNC2=O	REAL300000466872	0	40	-2.0	-96.57	351.99	3.34	-93.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)=C(Cl)O1	REAL300000466873	0	33	-2.0	-93.13	323.93	2.53	-90.60
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C4CCNC(=O)C4=CC=C3)C=C2)CC1	REAL300000466874	1	43	-2.0	-99.52	369.91	5.42	-94.10
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C4CCNC(=O)C4=CC=C3)C=C2C1	REAL300000466875	1	43	-2.0	-101.07	369.23	5.43	-95.64
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCNC3=O)C=C(C(=O)[O-])O1	REAL300000466876	0	39	-2.0	-99.69	344.09	3.47	-96.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)=CC=C1F	REAL300000466877	1	37	-2.0	-103.88	351.82	3.62	-100.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C=C1	REAL300000466878	1	37	-2.0	-93.88	347.27	3.59	-90.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)=C1	REAL300000466879	0	37	-2.0	-105.66	347.28	3.58	-102.08
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C=C1	REAL300000466880	0	41	-2.0	-93.65	378.55	4.88	-88.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C=C1C(=O)[O-]	REAL300000466881	1	40	-2.0	-107.77	366.64	4.22	-103.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)=C1C	REAL300000466882	1	43	-2.0	-109.24	379.68	4.90	-104.34
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)=C1	REAL300000466883	0	37	-2.0	-103.18	352.76	3.64	-99.54
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C=C1	REAL300000466884	0	43	-2.0	-92.86	390.67	5.16	-87.70
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)=C1	REAL300000466885	0	34	-2.0	-100.09	340.46	2.61	-97.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2=CC=CN=C2)N=C1	REAL300000466886	1	40	-2.0	-107.44	362.72	4.37	-103.07
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C=C1C(=O)[O-]	REAL300000466887	0	38	-2.0	-104.03	353.93	2.94	-101.09
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)=C1	REAL300000466888	0	37	-2.0	-96.57	356.39	3.26	-93.31
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C=C1C(=O)[O-]	REAL300000466889	1	43	-2.0	-109.09	378.80	4.85	-104.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)=CS1	REAL300000466890	0	34	-2.0	-101.92	338.93	2.62	-99.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2=CC=CN=C2)N=C1	REAL300000466891	0	43	-2.0	-106.17	377.40	5.31	-100.86
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000466892	0	37	-2.0	-100.40	350.29	2.73	-97.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000466893	0	37	-2.0	-103.69	356.98	3.47	-100.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C=C1F	REAL300000466894	0	37	-2.0	-93.44	351.79	3.63	-89.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)S1	REAL300000466895	0	34	-2.0	-95.46	339.55	2.71	-92.75
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)=C1	REAL300000466896	0	37	-2.0	-96.69	353.69	3.65	-93.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C(F)=C1	REAL300000466897	0	37	-2.0	-93.09	352.74	3.66	-89.43
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)=C1	REAL300000466898	0	38	-2.0	-106.64	356.99	1.29	-105.35
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C=C1	REAL300000466899	0	40	-2.0	-97.33	369.27	4.36	-92.97
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2=CC=CN=C2)N=C1	REAL300000466900	1	40	-2.0	-102.31	357.78	4.16	-98.15
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2=CC=CN=C2)N=C1	REAL300000466901	1	40	-2.0	-94.33	362.69	4.36	-89.97
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000466902	1	43	-2.0	-110.28	384.03	4.74	-105.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000466903	1	43	-2.0	-106.44	381.96	4.92	-101.52
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C=C1C(=O)[O-]	REAL300000466904	1	43	-2.0	-107.37	381.25	4.82	-102.55
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C=C1C(=O)[O-]	REAL300000466905	0	41	-2.0	-105.27	375.31	3.81	-101.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000466906	1	40	-2.0	-94.09	363.54	4.09	-90.00
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)=C1F	REAL300000466907	0	37	-2.0	-109.42	350.94	3.61	-105.81
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)=C1	REAL300000466908	0	36	-2.0	-103.25	343.50	1.71	-101.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)=C(Cl)O1	REAL300000466909	0	34	-2.0	-93.94	347.25	2.56	-91.38
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000466910	0	40	-2.0	-100.45	369.41	3.58	-96.87
CCOCCN(C1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000466920	0	42	-2.0	-110.25	369.49	7.47	-102.78
CC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000466954	0	37	-2.0	-108.85	349.62	7.84	-101.01
CC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(F)=C1	REAL300000466983	0	35	-2.0	-107.74	318.50	5.99	-101.75
CSC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000467020	1	32	-2.0	-99.22	325.40	6.51	-92.71
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300000467021	1	32	-2.0	-89.51	320.86	6.49	-83.02
CSC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000467022	1	32	-2.0	-101.50	320.87	6.48	-95.02
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(SC)=C1	REAL300000467023	0	36	-2.0	-106.99	349.02	6.28	-100.71
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000467024	1	36	-2.0	-89.43	352.33	7.77	-81.66
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000467025	1	35	-2.0	-103.86	340.95	7.12	-96.74
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1Cl	REAL300000467026	0	32	-2.0	-97.46	333.94	7.05	-90.41
CSC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000467027	1	32	-2.0	-97.48	333.38	6.87	-90.61
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1Cl	REAL300000467028	1	38	-2.0	-104.84	353.55	7.83	-97.01
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1Cl	REAL300000467029	0	32	-2.0	-98.83	326.35	6.54	-92.29
CSC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000467030	1	38	-2.0	-88.58	364.44	8.07	-80.51
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000467031	0	29	-2.0	-95.93	314.06	5.49	-90.44
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1Cl	REAL300000467032	1	35	-2.0	-102.74	336.31	7.26	-95.48
CSC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000467034	0	33	-2.0	-99.98	327.52	5.82	-94.16
CSC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000467036	0	32	-2.0	-92.19	330.00	6.15	-86.04
CSC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000467038	0	29	-2.0	-97.40	312.52	5.51	-91.89
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1Cl	REAL300000467040	1	41	-2.0	-104.84	374.78	8.49	-96.35
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(SC)=C1	REAL300000467041	1	38	-2.0	-101.29	351.01	8.19	-93.10
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1Cl	REAL300000467042	1	39	-2.0	-106.69	365.14	8.38	-98.31
CSC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000467043	0	32	-2.0	-95.93	323.88	5.61	-90.32
CSC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000467044	0	36	-2.0	-102.47	349.86	5.57	-96.90
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1Cl	REAL300000467045	1	35	-2.0	-93.49	341.58	7.29	-86.20
CSC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000467046	0	32	-2.0	-99.27	329.47	6.38	-92.89
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1Cl	REAL300000467047	0	32	-2.0	-87.20	333.92	7.04	-80.16
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000467048	1	32	-2.0	-89.10	325.40	6.52	-82.58
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000467049	0	29	-2.0	-90.96	313.15	5.61	-85.35
CSC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000467050	1	32	-2.0	-92.55	327.28	6.54	-86.01
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1Cl	REAL300000467051	0	35	-2.0	-100.14	346.65	7.18	-92.96
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1Cl	REAL300000467052	0	32	-2.0	-88.83	326.34	6.55	-82.28
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1Cl	REAL300000467053	1	32	-2.0	-87.12	333.37	6.88	-80.24
CSC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000467054	1	32	-2.0	-90.92	331.69	6.57	-84.35
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Cl	REAL300000467055	0	33	-2.0	-101.77	330.59	4.19	-97.58
CSC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Cl	REAL300000467055	1	33	-2.0	-100.03	319.62	5.07	-94.96
CSC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000467056	1	35	-2.0	-93.09	343.04	7.26	-85.83
CSC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000467057	1	35	-2.0	-97.58	330.95	7.12	-90.46
CSC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000467058	1	35	-2.0	-100.44	345.72	7.13	-93.31
CSC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000467060	1	38	-2.0	-104.42	353.76	7.55	-96.87
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1Cl	REAL300000467061	0	32	-2.0	-90.57	332.63	6.60	-83.97
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1Cl	REAL300000467063	0	35	-2.0	-101.08	346.19	7.18	-93.90
CSC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000467064	0	35	-2.0	-105.89	345.91	7.17	-98.72
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(SC)=C2)C=C1C(=O)[O-]	REAL300000467065	1	38	-2.0	-103.26	355.11	7.67	-95.59
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(SC)=C2)C=C1C(=O)[O-]	REAL300000467066	0	36	-2.0	-101.21	348.90	6.69	-94.52
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Cl	REAL300000467067	1	35	-2.0	-89.56	336.88	7.02	-82.54
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC=C1Cl	REAL300000467068	1	35	-2.0	-100.57	340.41	7.32	-93.25
CSC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000467069	0	32	-2.0	-105.23	324.53	6.51	-98.72
CSC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000467070	1	35	-2.0	-94.22	345.81	7.16	-87.06
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000467071	0	31	-2.0	-98.88	317.86	4.53	-94.35
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(SC)=C1	REAL300000467072	0	36	-2.0	-93.64	349.08	6.27	-87.37
CSC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000467073	0	29	-2.0	-89.70	321.02	5.45	-84.25
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1Cl	REAL300000467074	1	39	-2.0	-96.17	367.00	8.37	-87.80
CSC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1Cl	REAL300000467075	1	39	-2.0	-98.85	366.31	8.37	-90.48
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(SC)=C2)C=C(C(=O)[O-])O1	REAL300000467076	0	35	-2.0	-95.88	343.00	6.46	-89.42
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467077	1	39	-2.0	-104.71	347.88	4.47	-100.24
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(OC)=C1C	REAL300000467078	1	39	-2.0	-94.76	343.32	4.44	-90.32
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467079	1	39	-2.0	-107.25	343.35	4.43	-102.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=C(C)C(OC)=C1	REAL300000467080	0	43	-2.0	-112.83	371.48	4.23	-108.60
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC(OC)=C1C	REAL300000467081	1	43	-2.0	-94.67	374.79	5.73	-88.94
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467082	1	42	-2.0	-108.46	359.36	4.97	-103.49
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC(OC)=C1C	REAL300000467083	0	39	-2.0	-102.87	356.41	5.01	-97.86
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467084	1	39	-2.0	-103.10	355.86	4.83	-98.27
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC(OC)=C1C	REAL300000467085	1	45	-2.0	-110.40	376.01	5.79	-104.61
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(OC)=C1C	REAL300000467086	0	39	-2.0	-104.49	348.82	4.50	-99.99
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC(OC)=C1C	REAL300000467087	1	45	-2.0	-93.88	386.91	6.02	-87.86
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(OC)=C1C	REAL300000467088	0	36	-2.0	-101.46	336.53	3.45	-98.01
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(OC)=C1C	REAL300000467089	1	42	-2.0	-108.15	358.78	5.23	-102.92
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC(OC)=C1C	REAL300000467090	1	43	-2.0	-93.32	374.41	4.72	-88.60
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467091	0	40	-2.0	-105.61	349.99	3.79	-101.82
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC(OC)=C1C	REAL300000467093	0	39	-2.0	-97.55	352.45	4.12	-93.43
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC(OC)=C1C	REAL300000467094	1	45	-2.0	-109.83	374.41	5.78	-104.05
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467095	0	36	-2.0	-102.91	335.00	3.47	-99.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(C)C(OC)=C2)C=C1C(=O)[O-]	REAL300000467096	1	43	-2.0	-113.14	370.63	4.50	-108.64
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC(OC)=C1C	REAL300000467097	1	48	-2.0	-110.52	397.24	6.45	-104.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=C(C)C(OC)=C1	REAL300000467098	1	45	-2.0	-106.58	373.46	6.16	-100.42
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=C(C)C(OC)=C1	REAL300000467099	0	46	-2.0	-112.57	393.77	4.99	-107.58
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467100	0	42	-2.0	-109.31	378.36	4.87	-104.44
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467100	1	41	-3.0	-181.73	371.75	5.00	-176.73
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC(OC)=C1C	REAL300000467101	1	46	-2.0	-112.42	387.59	6.33	-106.09
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467102	0	39	-2.0	-101.13	346.35	3.58	-97.55
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC(OC)=C1C	REAL300000467103	0	43	-2.0	-108.43	372.26	3.52	-104.91
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CC(OC)=C1C	REAL300000467104	1	46	-2.0	-93.79	394.49	5.43	-88.36
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC(OC)=C1C	REAL300000467105	1	42	-2.0	-98.72	364.05	5.25	-93.47
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC(OC)=C1C	REAL300000467106	1	43	-2.0	-92.82	380.64	4.78	-88.04
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(C)C(OC)=C2)C=C1C(=O)[O-]	REAL300000467107	1	46	-2.0	-113.79	392.48	5.41	-108.38
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467108	0	39	-2.0	-104.46	353.03	4.33	-100.13
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC(OC)=C1C	REAL300000467109	0	39	-2.0	-92.42	356.40	5.00	-87.42
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(OC)=C1C	REAL300000467110	1	39	-2.0	-94.20	347.87	4.48	-89.72
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(OC)=C1C	REAL300000467111	0	36	-2.0	-96.36	335.62	3.57	-92.79
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467112	1	39	-2.0	-98.09	349.76	4.50	-93.59
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC(OC)=C1C	REAL300000467113	0	42	-2.0	-105.90	369.11	5.14	-100.76
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(OC)=C1C	REAL300000467114	0	39	-2.0	-94.23	348.79	4.51	-89.72
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(OC)=C1C	REAL300000467115	1	39	-2.0	-92.33	355.84	4.84	-87.49
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC(OC)=C1C	REAL300000467116	1	42	-2.0	-100.43	372.78	5.65	-94.78
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467117	1	39	-2.0	-96.23	354.16	4.53	-91.70
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC(OC)=C1C	REAL300000467118	0	41	-2.0	-92.27	371.53	5.11	-87.16
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(OC)=C1C	REAL300000467119	0	40	-2.0	-107.08	353.06	2.14	-104.94
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(OC)=C1C	REAL300000467119	1	40	-2.0	-105.52	348.72	2.95	-102.57
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(OC)=C1C	REAL300000467120	1	42	-2.0	-98.48	365.51	5.21	-93.27
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(OC)=C1C	REAL300000467121	1	42	-2.0	-104.47	357.18	5.17	-99.30
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467122	1	42	-2.0	-106.05	368.18	5.09	-100.96
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC(OC)=C1C	REAL300000467123	1	42	-2.0	-95.06	358.75	5.22	-89.84
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467124	1	45	-2.0	-110.37	376.22	5.50	-104.87
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467125	0	41	-2.0	-105.45	369.92	5.52	-99.93
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC(OC)=C1C	REAL300000467126	0	39	-2.0	-96.07	355.09	4.56	-91.51
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC(OC)=C1C	REAL300000467127	1	45	-2.0	-107.97	376.73	5.84	-102.13
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC(OC)=C1C	REAL300000467128	0	42	-2.0	-106.72	368.65	5.13	-101.59
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC(OC)=C1C	REAL300000467129	0	42	-2.0	-104.71	375.08	5.57	-99.14
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC(OC)=C1C	REAL300000467130	0	42	-2.0	-112.11	368.36	5.13	-106.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(C)C(OC)=C2)C=C1C(=O)[O-]	REAL300000467131	1	45	-2.0	-109.19	377.30	5.62	-103.57
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(C)C(OC)=C2)C=C1CC(=O)[O-]	REAL300000467132	1	46	-2.0	-109.72	393.81	4.57	-105.15
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC(OC)=C1C	REAL300000467133	1	42	-2.0	-96.73	369.60	5.61	-91.12
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467134	1	42	-2.0	-104.86	374.57	5.39	-99.47
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(C)C(OC)=C2)C=C1C(=O)[O-]	REAL300000467135	0	43	-2.0	-106.89	371.28	4.65	-102.24
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467136	1	42	-2.0	-101.77	377.09	5.50	-96.27
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(OC)=C1C	REAL300000467137	1	42	-2.0	-96.47	363.41	5.08	-91.39
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC(OC)=C1C	REAL300000467138	1	42	-2.0	-105.57	363.29	5.25	-100.32
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC(OC)=C1C	REAL300000467139	0	41	-2.0	-114.47	367.07	6.29	-108.18
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(OC)=C1C	REAL300000467140	0	39	-2.0	-111.35	347.00	4.47	-106.88
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467141	1	42	-2.0	-99.90	368.29	5.11	-94.79
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(OC)=C1C	REAL300000467142	0	38	-2.0	-104.87	339.55	2.56	-102.31
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC(OC)=C1C	REAL300000467143	0	43	-2.0	-99.11	371.53	4.24	-94.87
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(OC)=C1C	REAL300000467144	0	36	-2.0	-94.90	343.49	3.41	-91.49
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC(OC)=C1C	REAL300000467145	1	46	-2.0	-101.52	389.47	6.32	-95.20
COC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC(OC)=C1C	REAL300000467146	1	46	-2.0	-104.33	387.43	6.30	-98.03
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=C(C)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000467147	0	42	-2.0	-101.07	365.48	4.42	-96.65
COC1=CC2=C(C(OC)=C1)N(S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])CCC2	REAL300000467164	0	44	-2.0	-111.64	356.33	5.35	-106.29
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1S(C)(=O)=O	REAL300000467174	1	38	-2.0	-115.51	352.98	2.36	-113.15
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1S(C)(=O)=O	REAL300000467176	0	35	-2.0	-109.54	346.17	1.38	-108.16
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1S(C)(=O)=O	REAL300000467177	1	41	-2.0	-115.74	368.41	3.15	-112.59
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1S(C)(=O)=O	REAL300000467178	1	39	-2.0	-113.80	359.63	1.72	-112.08
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1S(C)(=O)=O	REAL300000467179	0	35	-2.0	-109.40	344.64	1.39	-108.01
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1S(C)(=O)=O	REAL300000467180	0	38	-2.0	-108.86	356.00	1.50	-107.36
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1S(C)(=O)=O	REAL300000467181	0	35	-2.0	-103.49	345.26	1.49	-102.00
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1S(C)(=O)=O	REAL300000467182	1	41	-2.0	-105.09	375.17	3.14	-101.95
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1S(C)(=O)=O	REAL300000467183	1	41	-2.0	-110.31	363.06	3.00	-107.31
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1S(C)(=O)=O	REAL300000467186	0	37	-2.0	-112.82	349.21	0.49	-112.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)=CC=C1F	REAL300000467187	1	39	-2.0	-106.16	353.56	4.56	-101.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)C=C1	REAL300000467188	1	39	-2.0	-95.99	349.01	4.53	-91.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)=CC=C1	REAL300000467189	1	39	-2.0	-108.66	349.03	4.52	-104.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC(=O)N2)=C1	REAL300000467190	0	43	-2.0	-114.59	377.17	4.32	-110.27
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)C=C1	REAL300000467191	1	43	-2.0	-95.66	380.48	5.82	-89.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000467192	1	42	-2.0	-108.84	365.05	5.05	-103.79
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)=C1	REAL300000467193	0	39	-2.0	-104.62	362.10	5.09	-99.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)=CC=C1Cl	REAL300000467194	1	39	-2.0	-104.47	361.54	4.92	-99.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)=C1C	REAL300000467195	1	45	-2.0	-112.45	381.70	5.86	-106.59
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)=C1	REAL300000467196	0	39	-2.0	-106.03	354.51	4.59	-101.44
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)C=C1	REAL300000467197	1	45	-2.0	-94.89	392.61	6.10	-88.79
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)=C1	REAL300000467198	0	36	-2.0	-102.88	342.21	3.54	-99.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC(=O)N2)=C1	REAL300000467199	1	42	-2.0	-110.34	364.46	5.31	-105.03
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000467201	1	40	-2.0	-106.95	355.68	3.88	-103.07
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)=C1	REAL300000467203	0	39	-2.0	-98.56	358.14	4.20	-94.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)=CS1	REAL300000467205	0	36	-2.0	-104.29	340.68	3.55	-100.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC(=O)N2)=C1	REAL300000467207	1	45	-2.0	-108.90	379.17	6.25	-102.65
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)C=C(C(=O)[O-])O1	REAL300000467208	0	39	-2.0	-103.00	352.04	3.67	-99.33
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)=C1	REAL300000467209	0	43	-2.0	-108.58	378.01	3.61	-104.97
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC(=O)N2)=C1	REAL300000467210	1	42	-2.0	-100.65	369.74	5.34	-95.31
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)C=C(C(=O)[O-])S1	REAL300000467211	1	39	-2.0	-106.61	357.63	4.43	-102.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)C(Cl)=C1	REAL300000467212	0	39	-2.0	-93.37	362.08	5.09	-88.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)C=C1F	REAL300000467213	1	39	-2.0	-95.55	353.54	4.56	-90.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)S1	REAL300000467214	0	36	-2.0	-97.49	341.30	3.63	-93.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)=CC(F)=C1	REAL300000467215	1	39	-2.0	-99.40	355.43	4.59	-94.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)=C1F	REAL300000467216	0	42	-2.0	-107.47	374.80	5.22	-102.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)C(F)=C1	REAL300000467217	0	39	-2.0	-95.11	354.50	4.60	-90.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)C=C1Cl	REAL300000467218	1	39	-2.0	-93.60	361.53	4.93	-88.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)=CC(F)=C1F	REAL300000467219	1	39	-2.0	-96.98	359.85	4.61	-92.37
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)=C1	REAL300000467220	0	40	-2.0	-109.28	358.74	2.23	-107.05
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(C3CCC(=O)N3)=CC=C2)=C1	REAL300000467220	1	40	-2.0	-108.51	357.95	3.02	-105.49
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)C=C1	REAL300000467221	1	42	-2.0	-99.80	371.20	5.31	-94.49
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC(=O)N2)=C1	REAL300000467222	1	42	-2.0	-103.68	358.57	5.19	-98.49
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)=CC(C(=O)[O-])=C1F	REAL300000467223	1	42	-2.0	-107.53	373.88	5.18	-102.35
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)=C1	REAL300000467226	0	39	-2.0	-97.51	360.79	4.65	-92.86
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000467228	0	42	-2.0	-108.42	374.35	5.21	-103.21
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)=C1	REAL300000467229	0	42	-2.0	-111.75	374.06	5.22	-106.53
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000467230	1	45	-2.0	-110.43	382.97	5.70	-104.73
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000467231	0	43	-2.0	-108.23	377.06	4.75	-103.48
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)=CC=C1	REAL300000467234	0	39	-2.0	-111.07	352.69	4.56	-106.51
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000467235	1	42	-2.0	-100.44	373.97	5.20	-95.24
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)=C1	REAL300000467236	0	38	-2.0	-106.15	346.01	2.58	-103.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2CCC(=O)N2)=C1	REAL300000467237	0	43	-2.0	-100.22	377.23	4.32	-95.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3CCC(=O)N3)=CC=C2)=C(Cl)O1	REAL300000467238	0	36	-2.0	-96.51	349.18	3.50	-93.01
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(=O)N3)=C2)C=C(C(=O)[O-])O1	REAL300000467239	0	42	-2.0	-103.09	371.16	4.52	-98.57
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(F)(F)F	REAL300000467242	0	36	-2.0	-96.07	350.96	5.13	-90.94
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000467243	1	40	-2.0	-100.13	364.26	5.46	-94.67
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000467244	1	36	-2.0	-97.45	349.43	5.15	-92.30
CC1=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000467245	0	39	-2.0	-95.68	360.78	5.25	-90.43
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(F)(F)F	REAL300000467246	0	36	-2.0	-91.21	349.88	5.24	-85.97
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(F)(F)F	REAL300000467247	0	38	-2.0	-99.17	353.84	4.25	-94.92
CCS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000467249	1	40	-2.0	-120.91	372.18	4.09	-116.82
CCS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000467251	0	37	-2.0	-115.30	365.35	3.11	-112.19
CCS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000467252	1	43	-2.0	-123.89	387.60	4.88	-119.01
CCS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000467253	1	41	-2.0	-119.43	378.82	3.44	-115.99
CCS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000467254	0	37	-2.0	-116.68	363.82	3.13	-113.55
CCS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000467255	0	40	-2.0	-114.74	375.20	3.23	-111.51
CCS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000467256	0	37	-2.0	-111.12	364.43	3.21	-107.91
CCS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000467257	0	41	-2.0	-120.89	381.88	1.81	-119.08
CCS(=O)(=O)CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000467257	1	41	-2.0	-127.31	381.07	2.59	-124.72
CCS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000467258	1	43	-2.0	-112.64	394.33	4.87	-107.77
CCS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000467259	1	43	-2.0	-118.24	385.99	4.84	-113.40
CCS(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000467262	0	39	-2.0	-120.37	368.37	2.21	-118.16
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=C2C=CC(F)=C3F)=CC(C(=O)[O-])=C1	REAL300000467286	0	36	-2.0	-105.41	334.24	6.24	-99.17
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCOC3=C2C=CC(F)=C3F)=C1	REAL300000467302	0	34	-2.0	-98.81	316.63	4.49	-94.32
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000467333	0	42	-2.0	-91.95	382.88	5.34	-86.61
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000467334	1	35	-2.0	-108.95	330.96	6.78	-102.17
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SC	REAL300000467335	0	43	-2.0	-109.37	386.05	7.84	-101.53
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000467336	1	35	-2.0	-98.90	326.40	6.76	-92.14
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000467337	1	35	-2.0	-111.80	326.43	6.75	-105.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SC	REAL300000467338	0	39	-2.0	-116.98	354.57	6.55	-110.43
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000467339	1	39	-2.0	-98.00	357.88	8.05	-89.95
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000467340	1	38	-2.0	-113.07	342.45	7.28	-105.79
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000467341	0	35	-2.0	-106.87	339.50	7.33	-99.54
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000467342	1	35	-2.0	-107.49	338.94	7.14	-100.35
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000467343	1	41	-2.0	-114.06	359.53	8.08	-105.98
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000467344	0	35	-2.0	-109.03	331.91	6.81	-102.22
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000467345	1	41	-2.0	-97.35	369.99	8.33	-89.02
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000467346	0	32	-2.0	-105.96	319.61	5.77	-100.19
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000467347	1	38	-2.0	-112.13	341.87	7.54	-104.59
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000467348	1	39	-2.0	-96.72	357.50	7.03	-89.69
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000467349	0	36	-2.0	-110.05	333.08	6.10	-103.95
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000467350	1	39	-2.0	-112.63	350.21	5.58	-107.05
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000467351	0	35	-2.0	-102.07	335.54	6.43	-95.64
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000467352	1	41	-2.0	-113.42	357.88	8.07	-105.35
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000467353	0	32	-2.0	-107.36	318.08	5.79	-101.57
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2SC)=CC(C(=O)[O-])=C1OC	REAL300000467354	1	43	-2.0	-112.07	384.76	6.56	-105.51
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SC)C=C1C(=O)[O-]	REAL300000467355	1	39	-2.0	-117.59	353.72	6.82	-110.77
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000467356	1	45	-2.0	-116.32	381.67	9.38	-106.94
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000467357	1	44	-2.0	-114.22	380.33	8.76	-105.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SC	REAL300000467358	1	41	-2.0	-109.80	355.29	8.41	-101.39
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SC	REAL300000467359	0	42	-2.0	-117.80	376.86	7.31	-110.49
CSC1=CC(C)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000467360	0	38	-2.0	-109.26	354.22	7.24	-102.02
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000467360	1	37	-3.0	-188.95	354.83	7.32	-181.63
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000467361	1	42	-2.0	-116.66	370.67	8.65	-108.01
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000467362	0	35	-2.0	-105.11	329.44	5.89	-99.22
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000467363	1	41	-2.0	-116.72	368.60	6.53	-110.19
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000467364	0	39	-2.0	-112.98	355.35	5.84	-107.14
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000467365	1	43	-2.0	-97.46	379.34	7.35	-90.11
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000467366	0	35	-2.0	-103.39	344.03	7.35	-96.04
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000467367	1	42	-2.0	-97.25	377.58	7.73	-89.52
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000467368	0	38	-2.0	-102.62	347.14	7.56	-95.06
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000467369	1	39	-2.0	-96.15	363.73	7.09	-89.06
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SC)C=C1C(=O)[O-]	REAL300000467370	1	42	-2.0	-118.27	375.57	7.73	-110.54
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000467371	0	35	-2.0	-108.56	335.06	6.65	-101.91
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000467372	0	35	-2.0	-96.17	339.48	7.32	-88.85
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000467373	1	35	-2.0	-98.28	330.96	6.79	-91.49
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000467374	0	32	-2.0	-100.77	318.69	5.87	-94.90
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000467375	0	35	-2.0	-102.53	332.85	6.81	-95.72
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000467376	0	38	-2.0	-110.59	352.17	7.45	-103.14
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000467377	0	35	-2.0	-98.53	331.90	6.83	-91.70
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000467378	1	35	-2.0	-96.38	338.93	7.15	-89.23
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000467379	1	38	-2.0	-104.28	355.87	7.95	-96.33
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000467380	0	43	-2.0	-94.74	390.16	8.17	-86.57
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000467381	1	35	-2.0	-100.45	337.25	6.85	-93.60
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000467382	0	37	-2.0	-96.58	354.62	7.42	-89.16
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000467383	0	36	-2.0	-110.76	336.14	4.45	-106.31
CSC1=CC(C)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000467383	1	36	-2.0	-112.06	331.04	4.77	-107.29
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000467384	1	38	-2.0	-102.38	348.60	7.53	-94.85
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000467385	1	35	-2.0	-101.96	347.14	7.29	-94.67
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000467386	1	38	-2.0	-107.84	336.46	7.38	-100.46
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000467387	1	38	-2.0	-110.46	351.27	7.40	-103.06
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000467388	1	38	-2.0	-98.74	341.84	7.53	-91.21
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000467389	1	41	-2.0	-115.14	359.31	7.81	-107.33
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000467390	0	37	-2.0	-109.55	353.00	7.84	-101.71
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000467391	0	35	-2.0	-100.65	338.16	6.88	-93.77
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000467392	1	41	-2.0	-112.14	360.91	8.14	-104.00
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000467393	0	38	-2.0	-110.25	347.91	7.35	-102.90
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000467394	0	38	-2.0	-108.82	358.21	7.89	-100.93
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000467395	0	38	-2.0	-116.98	351.46	7.44	-109.54
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SC)C=C1C(=O)[O-]	REAL300000467396	1	41	-2.0	-113.84	360.39	7.93	-105.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SC)C=C1CC(=O)[O-]	REAL300000467397	1	42	-2.0	-114.35	376.90	6.88	-107.47
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000467398	1	38	-2.0	-101.10	352.69	7.92	-93.18
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000467399	1	38	-2.0	-109.35	357.66	7.70	-101.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SC)C=C1C(=O)[O-]	REAL300000467400	0	39	-2.0	-111.35	354.45	6.97	-104.38
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000467401	1	47	-2.0	-112.16	391.58	9.62	-102.54
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000467402	1	38	-2.0	-105.22	356.29	7.72	-97.50
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000467403	0	44	-2.0	-107.52	375.87	8.88	-98.64
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000467404	1	38	-2.0	-100.58	346.50	7.39	-93.19
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000467405	0	40	-2.0	-102.83	369.68	8.95	-93.88
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000467406	1	38	-2.0	-109.23	346.38	7.57	-101.66
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000467407	0	37	-2.0	-118.65	350.16	8.59	-110.06
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000467408	0	35	-2.0	-116.10	330.06	6.77	-109.33
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000467409	1	38	-2.0	-103.46	347.59	7.33	-96.13
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000467410	1	41	-2.0	-120.29	367.47	8.87	-111.42
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000467411	0	34	-2.0	-109.74	322.64	4.87	-104.87
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1SC	REAL300000467412	0	39	-2.0	-103.10	354.63	6.55	-96.55
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000467413	0	32	-2.0	-99.15	326.54	5.72	-93.43
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000467414	1	42	-2.0	-105.38	372.56	8.63	-96.75
CSC1=CC(C)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000467415	1	42	-2.0	-108.80	370.51	8.61	-100.19
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2SC)C=C(C(=O)[O-])O1	REAL300000467416	0	38	-2.0	-104.63	348.54	6.74	-97.89
CCN1C=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C1=O	REAL300000467445	0	37	-2.0	-112.49	335.51	5.00	-107.49
CCN1C=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1=O	REAL300000467474	0	35	-2.0	-113.73	315.71	3.09	-110.64
CCN1C=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1=O	REAL300000467482	1	34	-2.0	-108.30	324.00	4.91	-103.39
CCN1C=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C1=O	REAL300000467494	0	34	-2.0	-106.62	337.87	5.34	-101.28
CCN1C=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C1=O	REAL300000467507	1	31	-2.0	-106.84	312.37	3.76	-103.08
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C1	REAL300000467513	1	40	-2.0	-110.66	348.68	7.17	-103.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCCC(=O)C2=C1	REAL300000467514	0	44	-2.0	-115.68	376.80	6.97	-108.71
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)C=C1	REAL300000467515	1	44	-2.0	-98.30	380.10	8.46	-89.84
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C1	REAL300000467517	0	40	-2.0	-105.91	361.74	7.74	-98.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=CC=C1Cl	REAL300000467518	1	40	-2.0	-106.34	361.18	7.56	-98.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C1C	REAL300000467519	1	46	-2.0	-112.95	381.33	8.52	-104.43
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C1	REAL300000467520	0	40	-2.0	-107.74	354.15	7.23	-100.51
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)C=C1	REAL300000467521	1	46	-2.0	-97.35	392.22	8.75	-88.60
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C1	REAL300000467522	0	37	-2.0	-105.02	341.84	6.18	-98.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCCC(=O)C2=C1	REAL300000467523	1	43	-2.0	-110.77	364.08	7.95	-102.82
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000467525	1	41	-2.0	-110.50	355.31	6.53	-103.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C1	REAL300000467527	0	40	-2.0	-102.12	357.77	6.86	-95.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=CS1	REAL300000467529	0	37	-2.0	-106.44	340.31	6.20	-100.24
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCCC(=O)C2=C1	REAL300000467531	1	46	-2.0	-108.84	378.81	8.90	-99.94
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C1	REAL300000467532	1	47	-2.0	-116.78	392.93	9.07	-107.71
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000467533	0	40	-2.0	-104.22	351.68	6.31	-97.91
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C1	REAL300000467534	0	44	-2.0	-113.54	377.64	6.26	-107.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCCC(=O)C2=C1	REAL300000467535	1	43	-2.0	-101.57	369.36	7.99	-93.58
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000467536	1	40	-2.0	-107.37	357.27	7.06	-100.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)C(Cl)=C1	REAL300000467537	0	40	-2.0	-96.48	361.73	7.73	-88.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)C=C1F	REAL300000467538	1	40	-2.0	-98.31	353.19	7.21	-91.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)S1	REAL300000467539	0	37	-2.0	-100.80	340.95	6.30	-94.50
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C1	REAL300000467540	1	40	-2.0	-101.55	355.08	7.24	-94.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C1F	REAL300000467541	0	43	-2.0	-109.20	374.41	7.87	-101.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)C(F)=C1	REAL300000467542	0	40	-2.0	-98.61	354.14	7.24	-91.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)C=C1Cl	REAL300000467543	1	40	-2.0	-96.37	361.16	7.57	-88.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=CC(F)=C1F	REAL300000467544	1	40	-2.0	-99.54	359.48	7.26	-92.28
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C1	REAL300000467545	0	41	-2.0	-109.59	358.39	4.88	-104.71
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CCCCC(=O)C3=C2)=C1	REAL300000467545	1	41	-2.0	-104.46	347.44	5.78	-98.68
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)C=C1	REAL300000467546	1	43	-2.0	-101.87	370.82	7.94	-93.93
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CCCCC(=O)C2=C1	REAL300000467547	1	43	-2.0	-108.95	358.20	7.84	-101.11
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C1	REAL300000467551	0	40	-2.0	-99.61	360.43	7.30	-92.31
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000467553	0	43	-2.0	-110.07	373.97	7.87	-102.20
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C1	REAL300000467554	0	43	-2.0	-118.05	373.69	7.86	-110.19
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000467556	1	44	-2.0	-110.44	376.67	7.38	-103.06
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=CC=C1	REAL300000467559	0	40	-2.0	-117.28	352.31	7.20	-110.08
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000467560	1	43	-2.0	-103.44	373.60	7.85	-95.59
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C1	REAL300000467561	0	39	-2.0	-109.71	344.89	5.30	-104.41
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCCCC(=O)C2=C1	REAL300000467562	0	44	-2.0	-103.04	376.85	6.96	-96.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)=C(Cl)O1	REAL300000467563	0	37	-2.0	-98.47	348.82	6.15	-92.32
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCCCC(=O)C4=C3)C=C2)CC1	REAL300000467564	1	47	-2.0	-104.65	394.78	9.05	-95.60
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCCCC(=O)C4=C3)C=C2C1	REAL300000467565	1	47	-2.0	-109.48	394.11	9.06	-100.42
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCCCC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000467566	0	43	-2.0	-103.88	370.81	7.16	-96.72
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000467567	0	36	-2.0	-112.20	334.12	7.04	-105.16
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000467568	0	36	-2.0	-102.18	329.18	7.07	-95.11
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000467569	0	36	-2.0	-114.91	329.20	7.07	-107.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=CC=C1SC	REAL300000467570	0	40	-2.0	-119.70	357.34	6.76	-112.94
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000467571	0	40	-2.0	-100.59	360.65	8.36	-92.23
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000467572	0	39	-2.0	-116.55	345.91	7.51	-109.04
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000467573	0	42	-2.0	-117.19	361.93	8.39	-108.80
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000467574	0	36	-2.0	-112.02	334.73	7.11	-104.91
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000467575	0	42	-2.0	-99.80	372.77	8.65	-91.15
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000467576	0	33	-2.0	-109.42	322.45	6.11	-103.31
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000467577	0	39	-2.0	-114.74	344.69	7.80	-106.94
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000467578	0	40	-2.0	-99.40	360.27	7.35	-92.05
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000467579	0	37	-2.0	-113.35	336.23	6.39	-106.96
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000467580	0	40	-2.0	-115.36	352.98	5.89	-109.47
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000467581	0	36	-2.0	-105.62	338.37	6.78	-98.84
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000467582	0	42	-2.0	-117.47	364.32	8.42	-109.05
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000467583	0	33	-2.0	-110.56	321.24	6.07	-104.49
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC=C2SC)C=C1C(=O)[O-]	REAL300000467584	0	40	-2.0	-120.79	356.55	7.12	-113.67
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000467585	0	45	-2.0	-116.74	383.10	9.07	-107.67
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=CC=C1SC	REAL300000467586	0	42	-2.0	-112.42	358.07	8.71	-103.71
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=CC=C1SC	REAL300000467587	0	43	-2.0	-118.80	379.63	7.52	-111.28
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000467588	0	38	-3.0	-193.93	357.61	7.64	-186.29
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000467589	0	43	-2.0	-119.76	373.83	8.91	-110.85
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000467590	0	36	-2.0	-108.57	332.20	6.19	-102.38
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000467591	0	40	-2.0	-116.36	358.18	6.04	-110.32
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000467592	0	43	-2.0	-99.94	380.36	8.06	-91.88
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000467593	0	39	-2.0	-105.60	349.97	7.84	-97.76
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC=C2SC)C=C1C(=O)[O-]	REAL300000467594	0	43	-2.0	-121.88	378.72	7.99	-113.89
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000467595	0	36	-2.0	-111.24	338.89	6.95	-104.29
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000467596	0	36	-2.0	-99.24	342.25	7.60	-91.64
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000467597	0	36	-2.0	-101.70	333.80	7.09	-94.61
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000467598	0	33	-2.0	-104.29	321.52	6.22	-98.07
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000467599	0	36	-2.0	-105.90	335.62	7.14	-98.76
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000467600	0	39	-2.0	-113.69	354.96	7.77	-105.92
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000467601	0	36	-2.0	-101.90	334.66	7.13	-94.77
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000467602	0	36	-2.0	-99.69	341.77	7.45	-92.24
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000467603	0	38	-2.0	-100.10	357.78	7.68	-92.42
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000467604	0	37	-2.0	-113.29	338.97	4.66	-108.63
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000467605	0	39	-2.0	-105.33	351.37	7.85	-97.48
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000467606	0	39	-2.0	-111.07	339.24	7.68	-103.39
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000467607	0	39	-2.0	-113.90	354.09	7.70	-106.20
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000467608	0	39	-2.0	-101.92	344.67	7.79	-94.13
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000467609	0	42	-2.0	-118.51	362.08	8.14	-110.37
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000467610	0	38	-2.0	-112.75	355.81	8.15	-104.60
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000467611	0	36	-2.0	-103.96	340.94	7.19	-96.77
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000467612	0	42	-2.0	-115.66	362.73	8.46	-107.20
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000467613	0	39	-2.0	-114.49	354.51	7.77	-106.72
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000467614	0	39	-2.0	-120.57	354.25	7.76	-112.81
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC=C2SC)C=C1C(=O)[O-]	REAL300000467615	0	42	-2.0	-117.02	363.57	8.25	-108.77
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC=C2SC)C=C1CC(=O)[O-]	REAL300000467616	0	43	-2.0	-117.68	379.66	7.20	-110.48
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC=C2SC)C=C1C(=O)[O-]	REAL300000467617	0	40	-2.0	-114.65	357.22	7.32	-107.33
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000467618	0	39	-2.0	-102.43	345.21	7.61	-94.82
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000467619	0	39	-2.0	-112.34	348.73	7.89	-104.45
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000467620	0	38	-2.0	-121.52	352.94	8.78	-112.74
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000467621	0	36	-2.0	-119.46	332.90	7.07	-112.39
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000467622	0	39	-2.0	-106.89	350.36	7.64	-99.25
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000467623	0	35	-2.0	-111.64	326.25	5.14	-106.50
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC=C1SC	REAL300000467624	0	40	-2.0	-106.25	357.40	6.75	-99.50
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000467625	0	33	-2.0	-102.78	329.36	6.05	-96.73
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000467626	0	43	-2.0	-108.21	375.33	8.95	-99.26
COC1=CC=CC(SC)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000467627	0	43	-2.0	-112.17	373.67	8.88	-103.29
CCC1=C(S(=O)(=O)[N-]C2=C(OC)C=CC=C2SC)C=C(C(=O)[O-])O1	REAL300000467628	0	39	-2.0	-107.86	351.38	7.05	-100.81
CC1=NC(Cl)=CC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000467655	0	34	-2.0	-105.61	347.24	4.34	-101.27
CC1=NC(Cl)=CC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000467677	0	32	-2.0	-99.30	317.92	2.78	-96.52
CC1=NC(Cl)=CC(N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000467699	1	33	-2.0	-109.67	339.02	5.92	-103.75
CC1=NC(Cl)=CC(N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000467705	1	28	-2.0	-90.86	315.44	3.02	-87.84
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1	REAL300000467709	0	36	-3.0	-200.49	353.30	-0.89	-201.38
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC=C1F	REAL300000467710	0	29	-3.0	-222.93	301.37	0.55	-222.38
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CC=N1	REAL300000467711	0	37	-3.0	-221.92	356.46	1.62	-220.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1	REAL300000467712	0	29	-3.0	-209.87	296.83	0.53	-209.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467713	0	29	-3.0	-228.43	296.85	0.52	-227.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CC=N1	REAL300000467714	0	33	-3.0	-233.26	324.98	0.33	-232.93
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1	REAL300000467715	0	33	-3.0	-207.60	328.29	1.81	-205.79
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1C(=O)[O-]	REAL300000467716	0	32	-3.0	-231.21	312.89	1.05	-230.16
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467717	0	29	-3.0	-219.65	309.91	1.07	-218.58
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC=C1Cl	REAL300000467718	0	29	-3.0	-222.58	309.35	0.91	-221.67
O=C([O-])C1=C(Cl)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467719	0	29	-3.0	-213.69	322.42	1.44	-212.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1C	REAL300000467720	0	35	-3.0	-228.02	329.51	1.78	-226.24
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467721	0	29	-3.0	-224.06	302.32	0.58	-223.48
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1	REAL300000467722	0	35	-3.0	-207.49	340.41	2.11	-205.38
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467723	0	26	-3.0	-219.39	290.03	-0.46	-219.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CC=N1	REAL300000467724	0	32	-3.0	-225.30	312.28	1.28	-224.02
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1	REAL300000467725	0	33	-3.0	-206.51	327.91	0.80	-205.71
CN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1C(=O)[O-]	REAL300000467726	0	30	-3.0	-226.07	303.48	-0.13	-226.20
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CC=N1	REAL300000467727	0	33	-3.0	-225.27	321.05	-0.69	-225.96
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467728	0	29	-3.0	-214.28	305.96	0.20	-214.08
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1C(=O)[O-]	REAL300000467729	0	35	-3.0	-227.98	327.91	1.78	-226.20
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CS1	REAL300000467730	0	26	-3.0	-221.58	288.49	-0.46	-222.04
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC(C(=O)[O-])=C1OC	REAL300000467731	0	37	-3.0	-227.23	355.18	0.33	-226.90
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1C(=O)[O-]	REAL300000467732	0	33	-3.0	-234.56	324.13	0.59	-233.97
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467733	0	39	-3.0	-232.73	352.08	3.05	-229.68
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CC=N1	REAL300000467734	0	38	-3.0	-229.58	350.74	2.48	-227.10
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CC=N1	REAL300000467735	0	35	-3.0	-220.84	326.97	2.02	-218.82
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CC=N1	REAL300000467736	0	36	-3.0	-239.19	347.28	1.09	-238.10
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC(C(=O)[O-])=C1	REAL300000467737	0	31	-4.0	-323.14	325.25	1.08	-322.06
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467738	0	36	-3.0	-232.97	341.09	2.39	-230.58
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C(C(=O)[O-])O1	REAL300000467739	0	29	-3.0	-214.79	299.85	-0.34	-215.13
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC2=C1OCCO2	REAL300000467740	0	35	-3.0	-234.10	339.02	0.29	-233.81
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467741	0	33	-3.0	-234.50	325.75	-0.38	-234.88
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NC=CC=N3)C=C2C1	REAL300000467742	0	37	-3.0	-209.70	349.76	1.12	-208.58
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC(Cl)=C1Cl	REAL300000467743	0	29	-3.0	-214.79	324.53	1.37	-213.42
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467744	0	29	-3.0	-213.49	314.44	1.08	-212.41
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1Cl	REAL300000467745	0	33	-3.0	-203.56	343.94	1.34	-202.22
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC=C1OCC(=O)[O-]	REAL300000467746	0	36	-3.0	-207.42	347.99	1.51	-205.91
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1F	REAL300000467747	0	39	-3.0	-201.94	376.60	1.77	-200.17
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CC=N1	REAL300000467748	0	32	-3.0	-213.75	317.55	1.31	-212.44
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC=C1OCCCC(=O)[O-]	REAL300000467749	0	42	-3.0	-206.02	390.44	2.44	-203.58
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1F	REAL300000467750	0	33	-3.0	-203.91	334.14	0.87	-203.04
CCOC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1C(=O)[O-]	REAL300000467751	0	36	-3.0	-235.40	345.97	1.49	-233.91
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C(C(=O)[O-])S1	REAL300000467752	0	29	-3.0	-219.64	305.44	0.41	-219.23
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467753	0	29	-3.0	-212.17	325.06	1.51	-210.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C(Cl)=C1	REAL300000467754	0	29	-3.0	-206.24	309.89	1.06	-205.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1F	REAL300000467755	0	29	-3.0	-207.58	301.37	0.56	-207.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)S1	REAL300000467756	0	26	-3.0	-212.18	289.11	-0.35	-212.53
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467757	0	29	-3.0	-216.66	303.25	0.58	-216.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1F	REAL300000467758	0	32	-3.0	-226.81	322.59	1.21	-225.60
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C(Cl)C=C1C(=O)[O-]	REAL300000467759	0	33	-3.0	-210.93	337.15	1.12	-209.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C(F)=C1	REAL300000467760	0	29	-3.0	-210.75	302.33	0.59	-210.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1Cl	REAL300000467761	0	29	-3.0	-206.63	309.34	0.92	-205.71
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CC=N1	REAL300000467762	0	32	-3.0	-215.86	326.28	1.69	-214.17
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1	REAL300000467763	0	37	-3.0	-202.91	360.59	1.93	-200.98
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC(F)=C1F	REAL300000467764	0	29	-3.0	-211.90	307.68	0.61	-211.29
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467765	0	31	-3.0	-209.31	325.04	1.19	-208.12
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467766	0	30	-3.0	-222.50	306.56	-1.75	-224.25
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1	REAL300000467767	0	32	-3.0	-214.21	319.01	1.30	-212.91
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC(Cl)=C1F	REAL300000467768	0	29	-3.0	-214.26	317.56	1.05	-213.21
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CC=N1	REAL300000467769	0	32	-3.0	-226.84	306.91	1.14	-225.70
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC(C(=O)[O-])=C1F	REAL300000467770	0	32	-3.0	-225.32	321.70	1.17	-224.15
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CC=N1	REAL300000467771	0	32	-3.0	-208.94	312.26	1.27	-207.67
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC(C(=O)[O-])=C1C	REAL300000467772	0	35	-3.0	-235.74	333.64	1.69	-234.05
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC=C1[N+](=O)[O-]	REAL300000467773	0	31	-3.0	-220.42	323.42	1.61	-218.81
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467774	0	29	-3.0	-214.04	308.60	0.64	-213.40
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C(C)=C1C(=O)[O-]	REAL300000467775	0	35	-3.0	-231.53	331.32	1.89	-229.64
CC1=CC(F)=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1C(=O)[O-]	REAL300000467776	0	32	-3.0	-226.67	318.32	1.12	-225.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1Cl	REAL300000467777	0	32	-3.0	-222.80	328.61	1.63	-221.17
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467778	0	32	-3.0	-238.45	321.88	1.21	-237.24
CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1C(=O)[O-]	REAL300000467779	0	35	-3.0	-232.50	330.78	1.70	-230.80
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1CC(=O)[O-]	REAL300000467780	0	36	-3.0	-227.33	347.31	0.65	-226.68
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CC=N1	REAL300000467781	0	32	-3.0	-217.40	323.11	1.61	-215.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1C(F)(F)F	REAL300000467782	0	32	-3.0	-205.01	326.96	1.33	-203.68
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC(C(=O)[O-])=C1Cl	REAL300000467783	0	32	-3.0	-225.54	328.08	1.48	-224.06
CCN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1C(=O)[O-]	REAL300000467784	0	33	-3.0	-227.95	324.87	0.74	-227.21
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C(C)=C1CC(=O)[O-]	REAL300000467785	0	41	-3.0	-227.27	361.84	3.34	-223.93
O=C([O-])C1=C(F)C(Cl)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467786	0	29	-3.0	-210.25	322.43	1.07	-209.18
CC1=C(Cl)C=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1C(=O)[O-]	REAL300000467787	0	32	-3.0	-222.75	330.59	1.59	-221.16
CC(C)(C)C1=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C(C(=O)[O-])S1	REAL300000467788	0	38	-3.0	-218.93	346.57	2.41	-216.52
COC1=CC(Cl)=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1C(=O)[O-]	REAL300000467789	0	33	-3.0	-225.29	337.16	1.13	-224.16
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC=C1C(=O)[O-]	REAL300000467790	0	32	-3.0	-211.01	312.85	1.06	-209.95
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C([N+](=O)[O-])=C1	REAL300000467791	0	34	-3.0	-216.60	340.12	2.57	-214.03
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CC=N1	REAL300000467792	0	32	-3.0	-219.60	316.80	1.32	-218.28
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC=C1	REAL300000467793	0	31	-3.0	-239.95	320.60	2.37	-237.58
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC=C1	REAL300000467794	0	29	-3.0	-236.87	300.46	0.54	-236.33
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C1C(=O)[O-]	REAL300000467795	0	32	-3.0	-220.18	321.79	1.20	-218.98
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=CC2=CC=CC=C21	REAL300000467796	0	35	-3.0	-239.98	337.88	2.65	-237.33
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C1	REAL300000467797	0	28	-3.0	-226.40	293.07	-1.36	-227.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CC=N1	REAL300000467798	0	33	-3.0	-216.38	325.05	0.33	-216.05
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)=C(Cl)O1	REAL300000467799	0	26	-3.0	-208.30	296.99	-0.51	-208.81
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NC=CC=N3)C=C2)CC1	REAL300000467800	0	36	-3.0	-217.23	342.97	2.41	-214.82
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NC=CC=N3)C=C2C1	REAL300000467801	0	36	-3.0	-230.17	342.30	2.41	-227.76
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CC=N2)C=C(C(=O)[O-])O1	REAL300000467802	0	32	-3.0	-214.22	319.00	0.45	-213.77
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000467803	1	37	-2.0	-107.57	352.60	6.52	-101.05
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000467804	1	37	-2.0	-96.88	348.04	6.49	-90.39
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000467805	1	37	-2.0	-108.31	348.06	6.48	-101.83
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300000467806	0	41	-2.0	-113.32	376.21	6.28	-107.04
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000467807	1	41	-2.0	-96.62	379.51	7.78	-88.84
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000467808	1	40	-2.0	-110.78	368.13	7.13	-103.65
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000467809	1	43	-2.0	-110.49	380.46	7.80	-102.69
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000467810	0	37	-2.0	-105.44	353.54	6.55	-98.89
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000467811	1	43	-2.0	-95.58	391.63	8.08	-87.50
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000467812	0	34	-2.0	-102.88	341.25	5.50	-97.38
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000467813	1	40	-2.0	-108.68	363.50	7.27	-101.41
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1F	REAL300000467814	1	41	-2.0	-95.23	379.13	6.77	-88.46
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000467815	0	38	-2.0	-106.94	354.70	5.83	-101.11
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1F	REAL300000467816	1	41	-2.0	-109.20	372.27	5.31	-103.89
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000467817	0	37	-2.0	-99.95	357.18	6.17	-93.78
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1F	REAL300000467818	1	43	-2.0	-109.88	379.52	7.80	-102.08
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000467819	0	34	-2.0	-105.50	339.72	5.52	-99.98
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1F	REAL300000467820	1	41	-2.0	-115.80	375.35	6.55	-109.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CC(=O)OC)C(F)=C1	REAL300000467821	1	43	-2.0	-106.99	378.21	8.20	-98.79
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000467822	0	37	-2.0	-102.20	351.07	5.62	-96.58
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000467823	0	41	-2.0	-111.22	377.05	5.57	-105.65
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1F	REAL300000467824	1	40	-2.0	-99.61	368.78	7.30	-92.31
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000467825	0	37	-2.0	-105.36	356.67	6.38	-98.98
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000467826	1	37	-2.0	-96.32	352.58	6.53	-89.79
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000467827	0	34	-2.0	-98.78	340.33	5.62	-93.16
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000467828	1	37	-2.0	-99.45	354.47	6.55	-92.90
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1F	REAL300000467829	0	40	-2.0	-106.77	373.82	7.19	-99.58
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000467830	0	37	-2.0	-96.51	353.53	6.56	-89.95
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000467831	0	38	-2.0	-107.54	357.78	4.20	-103.34
COC(=O)CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000467831	1	38	-2.0	-105.36	356.97	4.98	-100.38
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000467832	1	40	-2.0	-99.82	370.23	7.27	-92.55
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000467833	1	40	-2.0	-106.56	358.14	7.11	-99.45
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000467834	1	40	-2.0	-107.19	372.90	7.14	-100.05
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000467835	1	40	-2.0	-96.90	363.47	7.26	-89.64
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000467836	1	43	-2.0	-114.37	384.86	7.65	-106.72
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000467837	1	43	-2.0	-110.64	382.54	7.86	-102.78
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1F	REAL300000467838	0	40	-2.0	-106.47	369.54	7.09	-99.38
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1F	REAL300000467839	0	40	-2.0	-115.47	373.08	7.18	-108.29
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000467840	1	43	-2.0	-111.71	382.29	7.66	-104.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000467841	0	41	-2.0	-108.14	376.09	6.70	-101.44
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000467842	1	40	-2.0	-97.00	364.07	7.03	-89.97
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1F	REAL300000467843	1	40	-2.0	-106.11	368.02	7.31	-98.80
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000467844	0	37	-2.0	-114.78	351.68	6.51	-108.27
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000467845	1	40	-2.0	-102.49	373.00	7.16	-95.33
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000467846	0	36	-2.0	-106.22	344.28	4.61	-101.61
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000467847	0	41	-2.0	-100.88	376.27	6.28	-94.60
COC(=O)CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000467848	0	34	-2.0	-96.51	348.21	5.47	-91.04
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC(=O)OC)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000467849	0	40	-2.0	-101.93	370.20	6.47	-95.46
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=NN1C(C)C	REAL300000467850	0	44	-2.0	-101.06	390.93	4.37	-96.69
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467851	0	37	-2.0	-118.18	339.01	5.81	-112.37
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C(C)=C1	REAL300000467852	0	45	-2.0	-119.78	394.08	6.88	-112.90
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1C(C)C	REAL300000467853	0	37	-2.0	-107.80	334.46	5.79	-102.01
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467854	0	37	-2.0	-121.26	334.48	5.78	-115.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C(C)=C1	REAL300000467855	0	41	-2.0	-127.28	362.60	5.59	-121.69
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1C(C)C	REAL300000467856	0	41	-2.0	-107.39	365.93	7.08	-100.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467857	0	40	-2.0	-123.80	354.55	6.43	-117.37
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NN1C(C)C	REAL300000467858	0	37	-2.0	-116.74	347.53	6.34	-110.40
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467859	0	37	-2.0	-116.79	346.98	6.17	-110.62
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=NN1C(C)C	REAL300000467860	0	37	-2.0	-112.11	360.05	6.72	-105.39
CC1=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467861	0	43	-2.0	-124.14	367.57	7.11	-117.03
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1C(C)C	REAL300000467862	0	37	-2.0	-118.73	339.94	5.84	-112.89
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1C(C)C	REAL300000467863	0	43	-2.0	-106.86	378.04	7.37	-99.49
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1C(C)C	REAL300000467864	0	34	-2.0	-114.94	327.64	4.81	-110.13
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1C(C)C	REAL300000467865	0	40	-2.0	-122.18	349.89	6.55	-115.63
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NN1C(C)C	REAL300000467866	0	41	-2.0	-106.11	365.55	6.07	-100.04
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467867	0	38	-2.0	-119.44	341.12	5.13	-114.31
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NN1C(C)C	REAL300000467868	0	41	-2.0	-122.43	358.67	4.59	-117.84
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1C(C)C	REAL300000467869	0	37	-2.0	-110.93	343.58	5.47	-105.46
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467870	0	43	-2.0	-123.70	365.91	7.09	-116.61
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467871	0	34	-2.0	-116.53	326.13	4.81	-111.72
COC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000467872	0	45	-2.0	-121.34	392.79	5.59	-115.75
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C(C)=C2)C=C1C(=O)[O-]	REAL300000467873	0	41	-2.0	-127.09	361.76	5.85	-121.24
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=NN1C(C)C	REAL300000467874	0	47	-2.0	-126.50	389.72	8.41	-118.09
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=NN1C(C)C	REAL300000467875	0	46	-2.0	-124.67	388.36	7.78	-116.89
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C(C)=C1	REAL300000467876	0	43	-2.0	-120.29	364.60	7.50	-112.79
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C(C)=C1	REAL300000467877	0	44	-2.0	-128.05	384.89	6.35	-121.70
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467878	0	39	-3.0	-197.41	362.88	6.35	-191.06
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=NN1C(C)C	REAL300000467879	0	44	-2.0	-126.80	378.72	7.67	-119.13
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467880	0	37	-2.0	-114.44	337.47	4.93	-109.51
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467881	0	43	-2.0	-126.03	376.65	5.55	-120.48
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=NN1C(C)C	REAL300000467882	0	41	-2.0	-122.00	363.45	4.87	-117.13
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=NN1C(C)C	REAL300000467883	0	45	-2.0	-107.70	388.11	6.40	-101.30
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467884	0	37	-2.0	-110.23	362.15	6.63	-103.60
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=NN1C(C)C	REAL300000467885	0	37	-2.0	-112.88	352.06	6.35	-106.53
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=NN1C(C)C	REAL300000467886	0	41	-2.0	-104.29	381.57	6.61	-97.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=NN1C(C)C	REAL300000467887	0	44	-2.0	-106.63	385.63	6.77	-99.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=NN1C(C)C	REAL300000467888	0	47	-2.0	-104.85	414.22	7.03	-97.82
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NN1C(C)C	REAL300000467889	0	40	-2.0	-112.21	355.17	6.59	-105.62
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=NN1C(C)C	REAL300000467890	0	50	-2.0	-106.69	428.07	7.70	-98.99
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=NN1C(C)C	REAL300000467891	0	41	-2.0	-105.18	371.77	6.13	-99.05
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C(C)=C2)C=C1C(=O)[O-]	REAL300000467892	0	44	-2.0	-127.77	383.61	6.76	-121.01
CC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467893	0	37	-2.0	-118.26	343.09	5.67	-112.59
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=NN1C(C)C	REAL300000467894	0	37	-2.0	-110.15	362.69	6.78	-103.37
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NN1C(C)C	REAL300000467895	0	37	-2.0	-105.06	347.51	6.33	-98.73
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1C(C)C	REAL300000467896	0	37	-2.0	-106.91	339.01	5.82	-101.09
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1C(C)C	REAL300000467897	0	34	-2.0	-109.56	326.72	4.91	-104.65
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467898	0	37	-2.0	-111.57	340.88	5.85	-105.72
CC1=CC([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467899	0	40	-2.0	-120.29	360.22	6.48	-113.81
COC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000467900	0	41	-2.0	-109.66	374.77	6.40	-103.26
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1C(C)C	REAL300000467901	0	37	-2.0	-107.34	339.92	5.85	-101.49
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1C(C)C	REAL300000467902	0	37	-2.0	-105.12	346.98	6.18	-98.94
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=NN1C(C)C	REAL300000467903	0	40	-2.0	-114.02	363.90	6.97	-107.05
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=NN1C(C)C	REAL300000467904	0	45	-2.0	-103.83	398.21	7.19	-96.64
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467905	0	37	-2.0	-109.28	345.29	5.88	-103.40
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=NN1C(C)C	REAL300000467906	0	39	-2.0	-105.39	362.66	6.45	-98.94
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1C(C)C	REAL300000467907	0	38	-2.0	-120.99	344.19	3.51	-117.48
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1C(C)C	REAL300000467908	0	40	-2.0	-111.99	356.64	6.57	-105.42
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467909	0	37	-2.0	-110.86	355.18	6.31	-104.55
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1C(C)C	REAL300000467910	0	40	-2.0	-116.93	344.55	6.41	-110.52
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)=NN1C(C)C	REAL300000467911	0	40	-2.0	-119.62	359.31	6.43	-113.19
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1C(C)C	REAL300000467912	0	40	-2.0	-107.81	349.88	6.55	-101.26
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=NN1C(C)C	REAL300000467913	0	43	-2.0	-125.98	371.28	6.95	-119.03
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467914	0	39	-2.0	-118.33	361.04	6.87	-111.46
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NN1C(C)C	REAL300000467915	0	37	-2.0	-109.92	346.20	5.91	-104.01
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1C(C)C	REAL300000467916	0	43	-2.0	-121.14	368.95	7.15	-113.99
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467917	0	40	-2.0	-120.07	355.97	6.38	-113.69
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467918	0	40	-2.0	-118.62	366.22	6.91	-111.71
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=NN1C(C)C	REAL300000467919	0	40	-2.0	-126.07	359.50	6.47	-119.60
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C(C)=C2)C=C1C(=O)[O-]	REAL300000467920	0	43	-2.0	-123.42	368.43	6.97	-116.45
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C(C)=C2)C=C1CC(=O)[O-]	REAL300000467921	0	44	-2.0	-122.91	384.94	5.91	-117.00
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=NN1C(C)C	REAL300000467922	0	40	-2.0	-109.95	360.74	6.97	-102.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=NN1C(C)C	REAL300000467923	0	40	-2.0	-104.03	364.59	6.60	-97.43
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)=NN1C(C)C	REAL300000467924	0	40	-2.0	-118.63	365.70	6.74	-111.89
CCN1C=C(S(=O)(=O)[N-]C2=NN(C(C)C)C(C)=C2)C=C1C(=O)[O-]	REAL300000467925	0	41	-2.0	-120.79	362.49	6.00	-114.79
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=NN1C(C)C	REAL300000467926	0	49	-2.0	-121.72	399.63	8.66	-113.06
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=NN1C(C)C	REAL300000467927	0	37	-2.0	-108.19	360.06	6.34	-101.85
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467928	0	40	-2.0	-114.43	364.34	6.75	-107.68
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467929	0	46	-2.0	-117.60	383.90	7.87	-109.73
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C(C)C)C(C)=C2)C=C1C(=O)[O-]	REAL300000467930	0	41	-2.0	-122.26	374.79	6.40	-115.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1C(C)C	REAL300000467931	0	40	-2.0	-109.56	354.53	6.43	-103.13
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=NN1C(C)C	REAL300000467932	0	42	-2.0	-113.52	377.72	7.97	-105.55
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NN1C(C)C	REAL300000467933	0	40	-2.0	-119.36	354.01	6.62	-112.74
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=NN1C(C)C	REAL300000467934	0	39	-2.0	-128.12	358.22	7.64	-120.48
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1C(C)C	REAL300000467935	0	37	-2.0	-125.20	338.13	5.82	-119.38
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467936	0	40	-2.0	-112.63	355.64	6.35	-106.28
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467937	0	43	-2.0	-129.84	375.51	7.90	-121.94
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1C(C)C	REAL300000467938	0	36	-2.0	-118.93	330.69	3.91	-115.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C(C)C)C(C)=C1	REAL300000467939	0	41	-2.0	-112.52	362.66	5.59	-106.93
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1C(C)C	REAL300000467940	0	34	-2.0	-108.04	334.57	4.75	-103.29
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=NN1C(C)C	REAL300000467941	0	44	-2.0	-114.91	380.60	7.67	-107.24
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=NN1C(C)C	REAL300000467942	0	44	-2.0	-118.81	379.92	7.67	-111.14
CCC1=C(S(=O)(=O)[N-]C2=NN(C(C)C)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000467943	0	40	-2.0	-114.25	356.59	5.78	-108.47
COC1=CC=C(N(CC(C)C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000467977	0	45	-2.0	-107.75	378.95	6.25	-101.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N=S3(=O)CCCC3)C=C2)C=C1	REAL300000467997	1	42	-2.0	-120.45	371.33	4.96	-115.49
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N=S3(=O)CCCC3)C=C2)=C1	REAL300000467998	1	42	-2.0	-135.29	371.36	4.95	-130.34
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N=S3(=O)CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000467999	0	43	-2.0	-133.47	378.00	4.30	-129.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(N=S3(=O)CCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000468000	0	42	-2.0	-127.87	374.38	4.09	-123.78
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N=S3(=O)CCCC3)C=C2)=C1	REAL300000468001	0	41	-2.0	-131.27	367.56	3.09	-128.18
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CN1C	REAL300000468002	0	38	-2.0	-118.07	352.22	6.14	-111.93
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CN1C	REAL300000468003	0	38	-2.0	-107.94	347.67	6.11	-101.83
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CN1C	REAL300000468004	0	38	-2.0	-120.77	347.69	6.10	-114.67
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=CN1C	REAL300000468005	0	42	-2.0	-124.55	375.84	5.92	-118.63
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=CN1C	REAL300000468006	0	42	-2.0	-106.60	379.14	7.40	-99.20
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=CN1C	REAL300000468007	0	41	-2.0	-122.19	363.71	6.64	-115.55
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=CN1C	REAL300000468008	0	38	-2.0	-114.54	360.77	6.66	-107.88
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CN1C	REAL300000468009	0	38	-2.0	-116.51	360.20	6.50	-110.01
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=CN1C	REAL300000468010	0	44	-2.0	-121.47	380.80	7.42	-114.05
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CN1C	REAL300000468011	0	38	-2.0	-116.79	353.16	6.17	-110.62
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=CN1C	REAL300000468012	0	44	-2.0	-105.64	391.26	7.69	-97.95
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CN1C	REAL300000468013	0	35	-2.0	-114.94	340.88	5.13	-109.81
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=CN1C	REAL300000468014	0	41	-2.0	-119.38	363.12	6.88	-112.50
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=CN1C	REAL300000468015	0	42	-2.0	-105.37	378.76	6.39	-98.98
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CN1C	REAL300000468016	0	39	-2.0	-119.33	354.33	5.46	-113.87
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=CN1C	REAL300000468017	0	42	-2.0	-119.42	371.90	4.93	-114.49
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=CN1C	REAL300000468018	0	38	-2.0	-111.13	356.83	5.78	-105.35
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=CN1C	REAL300000468019	0	44	-2.0	-120.66	379.14	7.42	-113.24
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CN1C	REAL300000468020	0	35	-2.0	-116.43	339.35	5.14	-111.29
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=CN1C	REAL300000468021	0	42	-2.0	-126.66	374.98	6.18	-120.48
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=CN1C	REAL300000468022	0	47	-2.0	-121.39	401.59	8.11	-113.28
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=CN1C	REAL300000468023	0	44	-2.0	-116.14	375.55	7.74	-108.40
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=CN1C	REAL300000468024	0	45	-2.0	-126.92	398.12	6.67	-120.25
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CN1C	REAL300000468025	0	40	-3.0	-199.52	376.10	6.67	-192.85
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=CN1C	REAL300000468026	0	45	-2.0	-124.15	391.94	8.00	-116.15
CCOC(=O)C1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=CN1C	REAL300000468027	0	38	-2.0	-113.11	350.69	5.25	-107.86
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=CN1C	REAL300000468028	0	42	-2.0	-124.27	376.61	5.20	-119.07
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=CN1C	REAL300000468029	0	45	-2.0	-105.93	398.85	7.09	-98.84
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=CN1C	REAL300000468030	0	41	-2.0	-110.28	368.39	6.92	-103.36
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)C=CN1C	REAL300000468031	0	45	-2.0	-127.44	396.82	7.09	-120.35
CCOC(=O)C1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=CN1C	REAL300000468032	0	38	-2.0	-115.99	356.32	6.01	-109.98
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=CN1C	REAL300000468033	0	38	-2.0	-105.18	360.74	6.68	-98.50
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CN1C	REAL300000468034	0	38	-2.0	-107.29	352.21	6.15	-101.14
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CN1C	REAL300000468035	0	35	-2.0	-109.79	339.95	5.22	-104.57
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CN1C	REAL300000468036	0	38	-2.0	-111.57	354.10	6.17	-105.40
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=CN1C	REAL300000468037	0	41	-2.0	-118.47	373.45	6.80	-111.67
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CN1C	REAL300000468038	0	38	-2.0	-107.82	353.15	6.19	-101.63
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CN1C	REAL300000468039	0	38	-2.0	-105.44	360.18	6.52	-98.92
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=CN1C	REAL300000468040	0	38	-2.0	-109.37	358.51	6.20	-103.17
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=CN1C	REAL300000468041	0	40	-2.0	-105.53	375.88	6.77	-98.76
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CN1C	REAL300000468042	0	39	-2.0	-117.38	357.41	3.81	-113.57
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CN1C	REAL300000468043	0	41	-2.0	-110.41	369.86	6.88	-103.53
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=CN1C	REAL300000468044	0	41	-2.0	-118.42	357.73	6.73	-111.69
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=CN1C	REAL300000468045	0	41	-2.0	-119.60	372.52	6.76	-112.84
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=CN1C	REAL300000468046	0	41	-2.0	-107.55	363.10	6.89	-100.66
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=CN1C	REAL300000468047	0	44	-2.0	-124.30	380.57	7.17	-117.13
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=CN1C	REAL300000468048	0	40	-2.0	-118.64	374.25	7.19	-111.45
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CN1C	REAL300000468049	0	38	-2.0	-108.89	359.43	6.24	-102.65
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=CN1C	REAL300000468050	0	44	-2.0	-122.86	382.18	7.47	-115.39
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=CN1C	REAL300000468051	0	41	-2.0	-118.03	369.17	6.70	-111.33
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=CN1C	REAL300000468052	0	41	-2.0	-127.95	372.71	6.81	-121.14
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=CN1C	REAL300000468053	0	44	-2.0	-122.92	381.98	7.28	-115.64
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=CN1C	REAL300000468054	0	45	-2.0	-125.16	398.15	6.23	-118.93
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=CN1C	REAL300000468055	0	42	-2.0	-120.64	375.72	6.33	-114.31
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=CN1C	REAL300000468056	0	41	-2.0	-109.78	367.75	6.75	-103.03
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=CN1C	REAL300000468057	0	41	-2.0	-116.48	367.65	6.93	-109.55
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=CN1C	REAL300000468058	0	40	-2.0	-129.57	371.43	7.96	-121.61
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CN1C	REAL300000468059	0	38	-2.0	-126.93	351.33	6.13	-120.80
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=CN1C	REAL300000468060	0	41	-2.0	-112.56	368.86	6.68	-105.88
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CN1C	REAL300000468061	0	37	-2.0	-118.82	343.90	4.23	-114.59
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=CN1C	REAL300000468062	0	42	-2.0	-112.10	375.90	5.91	-106.19
CCOC(=O)C1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CN1C	REAL300000468063	0	35	-2.0	-107.65	347.79	5.08	-102.57
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=CN1C	REAL300000468064	0	45	-2.0	-113.63	393.82	7.98	-105.65
CCOC(=O)C1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=CN1C	REAL300000468065	0	45	-2.0	-119.52	391.78	7.97	-111.55
CCOC(=O)C1=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=CN1C	REAL300000468066	0	41	-2.0	-112.05	369.65	6.10	-105.95
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C(F)=C1	REAL300000468069	1	43	-2.0	-108.58	378.45	6.47	-102.11
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000468078	1	35	-2.0	-107.44	324.31	5.44	-102.00
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(F)=C1	REAL300000468080	1	32	-2.0	-103.97	312.02	4.42	-99.55
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(F)=C1	REAL300000468085	1	35	-2.0	-99.95	327.97	5.08	-94.87
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000468094	0	38	-2.0	-107.48	351.78	5.79	-101.69
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(F)=C1	REAL300000468096	1	35	-2.0	-104.02	321.84	4.53	-99.49
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(F)=C1	REAL300000468108	1	32	-2.0	-98.69	311.09	4.52	-94.17
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(F)=C1	REAL300000468110	1	38	-2.0	-108.97	344.58	6.08	-102.89
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000468111	1	35	-2.0	-96.31	324.30	5.45	-90.86
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(F)=C1	REAL300000468117	0	36	-2.0	-104.93	327.40	3.87	-101.06
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(F)=C1	REAL300000468125	1	35	-2.0	-98.86	330.57	5.52	-93.34
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(F)=C1	REAL300000468127	1	38	-2.0	-108.70	340.31	5.98	-102.72
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000468129	1	38	-2.0	-114.02	343.87	6.07	-107.95
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(F)=C1	REAL300000468138	0	40	-2.0	-101.54	362.09	7.57	-93.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(F)=C1	REAL300000468140	0	37	-2.0	-116.02	342.56	7.23	-108.79
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000468141	1	35	-2.0	-113.13	322.47	5.41	-107.72
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(F)=C1	REAL300000468144	0	34	-2.0	-107.54	315.04	3.51	-104.03
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(F)=C1	REAL300000468146	1	32	-2.0	-97.59	318.93	4.38	-93.21
CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C(F)=C1	REAL300000468149	1	38	-2.0	-104.12	340.97	5.38	-98.74
CC1=CC=C(N(CC(C)C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000468173	0	46	-2.0	-108.99	395.99	9.66	-99.33
CC1=CC=C(N(CC(C)C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000468193	0	44	-2.0	-108.63	367.59	8.20	-100.43
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1	REAL300000468224	0	36	-2.0	-82.92	345.50	0.92	-82.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CC=C1F	REAL300000468225	0	29	-2.0	-99.13	293.58	2.36	-96.77
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1O	REAL300000468226	0	37	-2.0	-99.78	348.66	3.42	-96.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1	REAL300000468227	0	29	-2.0	-88.62	289.03	2.33	-86.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468228	0	29	-2.0	-101.30	289.05	2.33	-98.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1O	REAL300000468229	0	33	-2.0	-106.14	317.19	2.13	-104.01
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1	REAL300000468230	0	33	-2.0	-88.65	320.49	3.62	-85.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000468231	0	32	-2.0	-100.42	305.06	2.86	-97.56
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468232	0	29	-2.0	-96.77	302.11	2.91	-93.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CC=C1Cl	REAL300000468233	0	29	-2.0	-97.33	301.55	2.72	-94.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C(Cl)C=C1Cl	REAL300000468234	0	29	-2.0	-92.58	314.61	3.29	-89.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1C	REAL300000468235	0	35	-2.0	-104.07	322.15	3.66	-100.41
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468236	0	29	-2.0	-98.03	294.52	2.39	-95.64
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1	REAL300000468237	0	35	-2.0	-87.71	332.62	3.91	-83.80
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468238	0	26	-2.0	-95.59	282.23	1.34	-94.25
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1O	REAL300000468239	0	32	-2.0	-102.28	304.48	3.11	-99.17
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1	REAL300000468240	0	33	-2.0	-87.20	320.12	2.60	-84.60
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000468241	0	30	-2.0	-99.45	295.69	1.68	-97.77
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1O	REAL300000468242	0	33	-2.0	-102.74	313.25	1.14	-101.60
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468243	0	29	-2.0	-90.88	298.15	2.01	-88.87
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000468244	0	35	-2.0	-103.43	320.49	3.65	-99.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CS1	REAL300000468245	0	26	-2.0	-97.05	280.69	1.36	-95.69
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CC(C(=O)[O-])=C1OC	REAL300000468246	0	37	-2.0	-101.71	347.37	2.14	-99.57
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000468247	0	33	-2.0	-107.13	316.33	2.40	-104.73
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468248	0	39	-2.0	-105.73	344.28	4.96	-100.77
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1O	REAL300000468249	0	38	-2.0	-104.28	342.94	4.34	-99.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1O	REAL300000468250	0	35	-2.0	-100.90	319.17	4.06	-96.84
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1O	REAL300000468251	0	36	-2.0	-106.63	339.48	2.90	-103.73
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468252	0	31	-3.0	-173.97	317.45	2.89	-171.08
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468253	0	36	-2.0	-106.08	333.29	4.22	-101.86
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C(C(=O)[O-])O1	REAL300000468254	0	29	-2.0	-95.57	292.05	1.46	-94.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CC2=C1OCCO2	REAL300000468255	0	35	-2.0	-104.36	331.22	2.10	-102.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468256	0	33	-2.0	-100.71	318.03	1.42	-99.29
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3O)C=C2C1	REAL300000468257	0	37	-2.0	-88.00	341.96	2.93	-85.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CC(Cl)=C1Cl	REAL300000468258	0	29	-2.0	-91.05	316.72	3.18	-87.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C(Cl)C=C1F	REAL300000468259	0	29	-2.0	-93.85	306.64	2.92	-90.93
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1Cl	REAL300000468260	0	33	-2.0	-85.73	336.15	3.14	-82.59
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CC=C1OCC(=O)[O-]	REAL300000468261	0	36	-2.0	-87.58	340.20	3.31	-84.27
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1O	REAL300000468262	0	32	-2.0	-93.04	309.77	3.14	-89.90
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1F	REAL300000468263	0	33	-2.0	-86.77	326.35	2.67	-84.10
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000468264	0	36	-2.0	-105.88	338.19	3.31	-102.57
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C(C(=O)[O-])S1	REAL300000468265	0	29	-2.0	-98.95	297.67	2.22	-96.73
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468266	0	29	-2.0	-90.64	317.27	3.35	-87.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C(Cl)=C1	REAL300000468267	0	29	-2.0	-86.25	302.10	2.90	-83.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1F	REAL300000468268	0	29	-2.0	-88.22	293.57	2.37	-85.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)S1	REAL300000468269	0	26	-2.0	-89.85	281.30	1.46	-88.39
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468270	0	29	-2.0	-90.92	295.46	2.40	-88.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1F	REAL300000468271	0	32	-2.0	-99.14	314.79	3.02	-96.12
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000468272	0	33	-2.0	-90.79	329.36	2.96	-87.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C(F)=C1	REAL300000468273	0	29	-2.0	-87.60	294.51	2.40	-85.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1Cl	REAL300000468274	0	29	-2.0	-86.27	301.54	2.73	-83.54
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1O	REAL300000468275	0	32	-2.0	-94.65	318.50	3.53	-91.12
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1	REAL300000468276	0	37	-2.0	-85.40	352.79	3.73	-81.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CC(F)=C1F	REAL300000468277	0	29	-2.0	-90.76	299.86	2.42	-88.34
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468278	0	31	-2.0	-86.47	317.23	3.00	-83.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468279	0	30	-2.0	-101.06	298.76	0.03	-101.03
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1	REAL300000468280	0	32	-2.0	-91.91	311.22	3.11	-88.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CC(Cl)=C1F	REAL300000468281	0	29	-2.0	-92.16	309.75	2.86	-89.30
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1O	REAL300000468282	0	32	-2.0	-95.81	299.08	2.97	-92.84
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CC(C(=O)[O-])=C1F	REAL300000468283	0	32	-2.0	-98.54	313.89	2.97	-95.57
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1O	REAL300000468284	0	32	-2.0	-89.18	304.46	3.10	-86.08
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CC(C(=O)[O-])=C1C	REAL300000468285	0	35	-2.0	-102.20	321.92	3.39	-98.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CC=C1[N+](=O)[O-]	REAL300000468286	0	31	-2.0	-98.52	315.62	3.42	-95.10
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468287	0	29	-2.0	-89.74	300.78	2.46	-87.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C(C)=C1C(=O)[O-]	REAL300000468288	0	35	-2.0	-100.32	322.57	3.74	-96.58
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000468289	0	32	-2.0	-98.82	310.52	2.93	-95.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1Cl	REAL300000468290	0	32	-2.0	-98.28	320.82	3.47	-94.81
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468291	0	32	-2.0	-103.85	314.08	3.02	-100.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000468292	0	35	-2.0	-101.04	323.33	3.51	-97.53
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1CC(=O)[O-]	REAL300000468293	0	36	-2.0	-103.52	339.52	2.46	-101.06
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1O	REAL300000468294	0	32	-2.0	-89.55	315.31	3.51	-86.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1C(F)(F)F	REAL300000468295	0	32	-2.0	-85.20	319.18	3.14	-82.06
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000468296	0	32	-2.0	-97.15	320.28	3.28	-93.87
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000468297	0	33	-2.0	-100.69	317.07	2.54	-98.15
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C(C)=C1CC(=O)[O-]	REAL300000468298	0	41	-2.0	-99.78	354.19	5.20	-94.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C(F)C(Cl)=C1F	REAL300000468299	0	29	-2.0	-88.74	314.66	2.89	-85.85
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000468300	0	32	-2.0	-95.60	322.82	3.39	-92.21
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C(C(=O)[O-])S1	REAL300000468301	0	38	-2.0	-99.01	338.48	4.46	-94.55
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000468302	0	33	-2.0	-102.29	329.37	2.96	-99.33
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CC=C1C(=O)[O-]	REAL300000468303	0	32	-2.0	-90.31	309.11	2.98	-87.33
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C([N+](=O)[O-])=C1	REAL300000468304	0	34	-2.0	-92.14	332.30	4.51	-87.63
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1O	REAL300000468305	0	32	-2.0	-100.07	308.99	3.14	-96.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1[N+](=O)[O-]	REAL300000468306	0	31	-2.0	-105.95	312.78	4.17	-101.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1F	REAL300000468307	0	29	-2.0	-103.32	292.68	2.35	-100.97
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000468308	0	32	-2.0	-93.81	314.00	3.00	-90.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=CC2=CC=CC=C21	REAL300000468309	0	35	-2.0	-109.39	330.07	4.45	-104.94
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C1	REAL300000468310	0	28	-2.0	-97.47	285.26	0.44	-97.03
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(F)=C1O	REAL300000468311	0	33	-2.0	-92.58	317.25	2.12	-90.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)=C(Cl)O1	REAL300000468312	0	26	-2.0	-89.17	289.15	1.30	-87.87
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3O)C=C2)CC1	REAL300000468313	0	36	-2.0	-95.35	335.17	4.22	-91.13
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3O)C=C2C1	REAL300000468314	0	36	-2.0	-96.98	333.13	4.19	-92.79
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2O)C=C(C(=O)[O-])O1	REAL300000468315	0	32	-2.0	-95.51	311.16	2.32	-93.19
N#CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1Br	REAL300000468320	1	29	-2.0	-96.25	310.66	6.03	-90.22
N#CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1Br	REAL300000468321	1	26	-2.0	-94.72	298.38	4.98	-89.74
N#CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1Br	REAL300000468327	1	26	-2.0	-90.08	297.46	5.09	-84.99
N#CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1Br	REAL300000468330	0	30	-2.0	-100.24	312.26	4.51	-95.73
N#CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1Br	REAL300000468336	1	29	-2.0	-104.28	308.83	5.99	-98.29
N#CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1Br	REAL300000468337	0	28	-2.0	-95.89	302.19	4.02	-91.87
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468339	0	34	-2.0	-114.94	335.49	5.47	-109.47
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1CC(F)(F)F	REAL300000468340	0	34	-2.0	-104.21	332.43	5.49	-98.72
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468341	0	34	-2.0	-116.36	330.96	5.44	-110.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C(C)=C1	REAL300000468342	0	38	-2.0	-122.47	359.10	5.25	-117.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1CC(F)(F)F	REAL300000468343	0	38	-2.0	-103.94	362.41	6.73	-97.21
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468344	0	37	-2.0	-118.84	351.03	6.08	-112.76
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NN1CC(F)(F)F	REAL300000468345	0	34	-2.0	-112.28	344.03	6.00	-106.28
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468346	0	34	-2.0	-113.42	343.47	5.83	-107.59
CC1=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468347	0	40	-2.0	-119.35	364.07	6.75	-112.60
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1CC(F)(F)F	REAL300000468348	0	34	-2.0	-114.18	336.44	5.50	-108.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1CC(F)(F)F	REAL300000468349	0	40	-2.0	-103.13	374.52	7.03	-96.10
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1CC(F)(F)F	REAL300000468350	0	31	-2.0	-110.61	324.14	4.46	-106.15
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1CC(F)(F)F	REAL300000468351	0	37	-2.0	-117.53	346.39	6.21	-111.32
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NN1CC(F)(F)F	REAL300000468352	0	38	-2.0	-102.50	362.03	5.72	-96.78
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468353	0	35	-2.0	-116.04	339.09	4.83	-111.21
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NN1CC(F)(F)F	REAL300000468354	0	38	-2.0	-117.89	355.17	4.25	-113.64
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1CC(F)(F)F	REAL300000468355	0	34	-2.0	-107.36	340.08	5.12	-102.24
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468356	0	40	-2.0	-118.81	362.41	6.75	-112.06
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468357	0	31	-2.0	-112.22	324.09	4.51	-107.71
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000468358	0	38	-2.0	-123.68	358.24	5.50	-118.18
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C(C)=C1	REAL300000468359	0	40	-2.0	-115.80	361.12	7.16	-108.64
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468360	0	34	-2.0	-110.31	333.97	4.58	-105.73
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=NN1CC(F)(F)F	REAL300000468361	0	38	-2.0	-118.45	359.94	4.53	-113.92
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NN1CC(F)(F)F	REAL300000468362	0	37	-2.0	-107.92	351.67	6.24	-101.68
CC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468363	0	34	-2.0	-113.85	339.58	5.33	-108.52
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NN1CC(F)(F)F	REAL300000468364	0	34	-2.0	-101.60	344.01	5.99	-95.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1CC(F)(F)F	REAL300000468365	0	34	-2.0	-103.59	335.47	5.48	-98.11
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1CC(F)(F)F	REAL300000468366	0	31	-2.0	-106.03	323.21	4.57	-101.46
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468367	0	34	-2.0	-108.22	337.36	5.50	-102.72
CC1=CC([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468368	0	37	-2.0	-115.66	356.72	6.14	-109.52
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1CC(F)(F)F	REAL300000468369	0	34	-2.0	-103.71	336.42	5.51	-98.20
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1CC(F)(F)F	REAL300000468370	0	34	-2.0	-101.66	343.44	5.84	-95.82
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468371	0	34	-2.0	-105.01	341.78	5.53	-99.48
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1CC(F)(F)F	REAL300000468372	0	35	-2.0	-116.57	340.67	3.16	-113.41
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1CC(F)(F)F	REAL300000468373	0	37	-2.0	-108.16	353.13	6.22	-101.94
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1CC(F)(F)F	REAL300000468374	0	37	-2.0	-113.29	341.02	6.06	-107.23
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)=NN1CC(F)(F)F	REAL300000468375	0	37	-2.0	-114.98	355.79	6.09	-108.89
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1CC(F)(F)F	REAL300000468376	0	37	-2.0	-104.55	347.85	6.26	-98.29
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=NN1CC(F)(F)F	REAL300000468377	0	40	-2.0	-122.29	367.76	6.61	-115.68
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NN1CC(F)(F)F	REAL300000468378	0	34	-2.0	-105.65	342.70	5.56	-100.09
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1CC(F)(F)F	REAL300000468379	0	40	-2.0	-117.57	365.44	6.82	-110.75
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468380	0	37	-2.0	-115.31	352.43	6.04	-109.27
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=NN1CC(F)(F)F	REAL300000468381	0	37	-2.0	-122.34	355.99	6.13	-116.21
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000468382	0	40	-2.0	-118.49	366.72	6.67	-111.82
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000468383	0	38	-2.0	-116.12	358.98	5.66	-110.46
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1CC(F)(F)F	REAL300000468384	0	37	-2.0	-105.78	351.01	6.08	-99.70
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NN1CC(F)(F)F	REAL300000468385	0	37	-2.0	-114.65	350.91	6.25	-108.40
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1CC(F)(F)F	REAL300000468386	0	34	-2.0	-120.22	336.10	5.52	-114.70
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468387	0	37	-2.0	-107.98	352.12	6.01	-101.97
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1CC(F)(F)F	REAL300000468388	0	33	-2.0	-114.34	327.17	3.56	-110.78
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C(C)=C1	REAL300000468389	0	38	-2.0	-108.58	359.16	5.25	-103.33
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1CC(F)(F)F	REAL300000468390	0	31	-2.0	-104.14	331.07	4.40	-99.74
CCC1=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000468391	0	37	-2.0	-110.15	353.09	5.43	-104.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=CC=C1F	REAL300000468392	1	33	-2.0	-103.22	325.83	5.88	-97.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C1	REAL300000468393	1	33	-2.0	-93.67	321.27	5.85	-87.82
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C1	REAL300000468394	1	33	-2.0	-105.56	321.28	5.84	-99.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(Cl)N=CC=C2C=C1	REAL300000468395	0	37	-2.0	-109.98	349.43	5.65	-104.33
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C1	REAL300000468396	1	37	-2.0	-93.01	352.74	7.14	-85.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000468397	1	36	-2.0	-106.62	337.30	6.38	-100.24
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C1	REAL300000468398	0	33	-2.0	-100.57	334.35	6.42	-94.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=CC=C1Cl	REAL300000468399	1	33	-2.0	-101.47	333.80	6.24	-95.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C1C	REAL300000468400	1	39	-2.0	-107.65	353.96	7.20	-100.45
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C1	REAL300000468401	0	33	-2.0	-102.24	326.76	5.91	-96.33
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C1	REAL300000468402	1	39	-2.0	-92.41	364.86	7.44	-84.97
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C1	REAL300000468403	0	30	-2.0	-100.08	314.47	4.88	-95.20
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(Cl)N=CC=C2C=C1	REAL300000468404	1	36	-2.0	-105.57	336.71	6.64	-98.93
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000468406	0	34	-2.0	-104.07	327.93	5.20	-98.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C1	REAL300000468408	0	33	-2.0	-96.39	330.39	5.53	-90.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=CS1	REAL300000468410	0	30	-2.0	-101.47	312.93	4.90	-96.57
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(Cl)N=CC=C2C=C1	REAL300000468412	1	39	-2.0	-103.62	351.41	7.58	-96.04
CC1=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C(C(=O)[O-])O1	REAL300000468413	0	33	-2.0	-99.33	324.29	5.00	-94.33
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C1	REAL300000468414	0	37	-2.0	-106.89	350.27	4.93	-101.96
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(Cl)N=CC=C2C=C1	REAL300000468415	1	36	-2.0	-96.58	341.99	6.67	-89.91
CC1=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C(C(=O)[O-])S1	REAL300000468416	0	33	-2.0	-102.12	330.98	5.74	-96.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C(Cl)=C1	REAL300000468417	0	33	-2.0	-91.17	334.34	6.41	-84.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C1F	REAL300000468418	1	33	-2.0	-93.30	325.81	5.88	-87.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)S1	REAL300000468419	0	30	-2.0	-95.25	313.55	4.97	-90.28
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C1	REAL300000468420	1	33	-2.0	-96.65	327.69	5.91	-90.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C1F	REAL300000468421	0	36	-2.0	-103.59	347.03	6.54	-97.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C(F)=C1	REAL300000468422	0	33	-2.0	-93.13	326.75	5.92	-87.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C1Cl	REAL300000468423	1	33	-2.0	-91.22	333.78	6.25	-84.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=CC(F)=C1F	REAL300000468424	1	33	-2.0	-95.06	332.10	5.94	-89.12
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C1	REAL300000468425	0	34	-2.0	-104.18	331.00	3.55	-100.63
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(Cl)N=CC=C3C=C2)=C1	REAL300000468425	1	34	-2.0	-105.31	330.25	4.35	-100.96
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C1	REAL300000468426	1	36	-2.0	-98.25	343.46	6.63	-91.62
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=C(Cl)N=CC=C2C=C1	REAL300000468427	1	36	-2.0	-102.51	330.83	6.53	-95.98
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=CC(C(=O)[O-])=C1F	REAL300000468428	1	36	-2.0	-104.64	346.12	6.50	-98.14
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=CC(C(=O)[O-])=C1C	REAL300000468430	1	39	-2.0	-109.96	358.08	7.01	-102.95
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C1	REAL300000468431	0	33	-2.0	-94.26	333.04	5.97	-88.29
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000468433	0	36	-2.0	-104.47	346.60	6.54	-97.93
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C1	REAL300000468434	0	36	-2.0	-111.21	346.32	6.54	-104.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000468435	1	39	-2.0	-107.29	355.22	7.03	-100.26
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000468436	0	37	-2.0	-105.29	349.30	6.08	-99.21
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=CC=C1C(=O)[O-]	REAL300000468437	1	36	-2.0	-93.70	337.29	6.39	-87.31
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(Cl)N=CC=C2C=C1	REAL300000468438	1	36	-2.0	-103.45	340.82	6.69	-96.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C1F	REAL300000468439	0	33	-2.0	-110.52	324.95	5.88	-104.64
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000468440	1	36	-2.0	-98.46	346.22	6.52	-91.94
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C1	REAL300000468441	0	32	-2.0	-101.75	318.27	3.91	-97.84
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=C(Cl)N=CC=C2C=C1	REAL300000468442	0	37	-2.0	-97.52	349.49	5.65	-91.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)=C(Cl)O1	REAL300000468443	0	30	-2.0	-93.50	321.43	4.82	-88.68
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC=C3C=C2)C=C(C(=O)[O-])O1	REAL300000468444	0	36	-2.0	-98.97	343.41	5.85	-93.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=CC=C1F	REAL300000468445	0	37	-2.0	-113.15	344.64	0.56	-112.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1	REAL300000468446	0	37	-2.0	-101.96	340.09	0.55	-101.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=CC=C1	REAL300000468447	0	37	-2.0	-112.79	340.32	0.80	-111.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CC(=O)N1	REAL300000468448	0	41	-2.0	-117.95	368.46	0.60	-117.35
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1	REAL300000468449	0	41	-2.0	-100.94	371.76	2.09	-98.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1C(=O)[O-]	REAL300000468450	0	40	-2.0	-117.01	356.13	1.08	-115.93
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=C1	REAL300000468451	0	37	-2.0	-110.47	353.18	1.10	-109.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=CC=C1Cl	REAL300000468452	0	37	-2.0	-111.53	352.61	0.93	-110.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=C1C	REAL300000468453	0	43	-2.0	-118.23	372.50	1.84	-116.39
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=C1	REAL300000468454	0	37	-2.0	-112.41	345.58	0.60	-111.81
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1	REAL300000468455	0	43	-2.0	-100.28	383.68	2.12	-98.16
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=C1	REAL300000468456	0	34	-2.0	-109.81	333.30	-0.44	-110.25
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CC(=O)N1	REAL300000468457	0	40	-2.0	-116.25	355.54	1.32	-114.93
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1	REAL300000468458	0	41	-2.0	-99.47	371.37	1.08	-98.39
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1C(=O)[O-]	REAL300000468459	0	38	-2.0	-113.78	346.75	-0.11	-113.89
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CC(=O)N1	REAL300000468460	0	41	-2.0	-113.60	364.52	-0.39	-113.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=C1	REAL300000468461	0	37	-2.0	-104.51	349.21	0.23	-104.28
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1C(=O)[O-]	REAL300000468462	0	43	-2.0	-118.90	375.56	1.94	-116.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=CS1	REAL300000468463	0	34	-2.0	-108.79	331.97	-0.17	-108.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1C(=O)[O-]	REAL300000468464	0	41	-2.0	-121.64	367.38	0.60	-121.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CC(=O)N1	REAL300000468465	0	43	-2.0	-114.27	370.23	2.25	-112.02
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C(C(=O)[O-])O1	REAL300000468466	0	37	-2.0	-109.22	343.11	-0.32	-109.54
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=C1	REAL300000468467	0	41	-2.0	-114.23	369.03	-0.38	-114.61
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CC(=O)N1	REAL300000468468	0	40	-2.0	-106.56	360.82	1.35	-105.21
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C(C(=O)[O-])S1	REAL300000468469	0	37	-2.0	-112.45	349.80	0.42	-112.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C(Cl)=C1	REAL300000468470	0	37	-2.0	-99.01	353.37	1.37	-97.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1F	REAL300000468471	0	37	-2.0	-101.26	344.64	0.58	-100.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)S1	REAL300000468472	0	34	-2.0	-103.43	332.36	-0.33	-103.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=CC(F)=C1	REAL300000468473	0	37	-2.0	-105.93	346.72	0.86	-105.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=C1F	REAL300000468474	0	40	-2.0	-111.97	366.08	1.50	-110.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C(F)=C1	REAL300000468475	0	37	-2.0	-101.37	345.78	0.87	-100.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1Cl	REAL300000468476	0	37	-2.0	-99.37	352.61	0.95	-98.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=CC(F)=C1F	REAL300000468477	0	37	-2.0	-102.06	351.13	0.89	-101.17
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=C1	REAL300000468478	0	38	-2.0	-114.92	349.82	-1.75	-116.67
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1	REAL300000468479	0	40	-2.0	-105.21	362.28	1.32	-103.89
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CC(=O)N1	REAL300000468480	0	40	-2.0	-109.29	350.15	1.16	-108.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=CC(C(=O)[O-])=C1F	REAL300000468481	0	40	-2.0	-111.99	364.95	1.17	-110.82
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CC(=O)N1	REAL300000468482	0	40	-2.0	-102.24	355.52	1.30	-100.94
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=CC(C(=O)[O-])=C1C	REAL300000468483	0	43	-2.0	-120.32	377.61	1.73	-118.59
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=C1	REAL300000468484	0	37	-2.0	-102.61	352.05	0.92	-101.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C(C)=C1C(=O)[O-]	REAL300000468485	0	43	-2.0	-115.62	374.79	2.19	-113.43
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1C(=O)[O-]	REAL300000468486	0	40	-2.0	-114.72	365.42	1.23	-113.49
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=C1	REAL300000468487	0	40	-2.0	-120.71	365.33	1.49	-119.22
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1C(=O)[O-]	REAL300000468488	0	43	-2.0	-117.70	374.04	1.73	-115.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1C(=O)[O-]	REAL300000468489	0	41	-2.0	-115.09	368.13	0.75	-114.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=CC=C1C(=O)[O-]	REAL300000468490	0	40	-2.0	-102.31	356.11	1.09	-101.22
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CC(=O)N1	REAL300000468491	0	40	-2.0	-113.91	359.64	1.37	-112.54
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=CC=C1	REAL300000468492	0	37	-2.0	-117.09	343.74	0.57	-116.52
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C1C(=O)[O-]	REAL300000468493	0	40	-2.0	-108.16	365.07	1.21	-106.95
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=C1	REAL300000468494	0	36	-2.0	-111.78	337.10	-1.39	-113.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1CC(=O)N1	REAL300000468495	0	41	-2.0	-105.37	368.52	0.59	-104.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)=C(Cl)O1	REAL300000468496	0	34	-2.0	-101.42	340.42	-0.24	-101.66
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2CC(=O)N2)C=C(C(=O)[O-])O1	REAL300000468497	0	40	-2.0	-109.04	362.23	0.53	-108.51
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000468536	0	38	-2.0	-111.73	341.99	8.13	-103.60
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000468567	0	36	-2.0	-111.09	312.04	6.24	-104.85
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=NN1C	REAL300000468605	0	41	-2.0	-99.12	370.56	3.54	-95.58
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1C	REAL300000468606	0	34	-2.0	-115.91	318.64	4.99	-110.92
CCC1=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=NN1C	REAL300000468607	0	42	-2.0	-117.50	373.73	6.07	-111.43
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=NN1C	REAL300000468608	0	34	-2.0	-113.55	329.80	5.65	-107.90
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1C	REAL300000468609	0	34	-2.0	-105.60	314.09	4.96	-100.64
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1C	REAL300000468610	0	34	-2.0	-118.76	314.11	4.95	-113.81
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=NN1C	REAL300000468611	0	38	-2.0	-124.73	342.24	4.77	-119.96
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=NN1C	REAL300000468612	0	34	-2.0	-114.10	330.35	5.44	-108.66
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1C	REAL300000468613	0	38	-2.0	-105.37	345.56	6.25	-99.12
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1C	REAL300000468614	0	37	-2.0	-120.22	330.12	5.49	-114.73
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NN1C	REAL300000468615	0	34	-2.0	-114.33	326.45	5.50	-108.83
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN1C	REAL300000468616	0	34	-2.0	-114.48	326.61	5.35	-109.13
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=NN1C	REAL300000468617	0	34	-2.0	-109.67	339.68	5.89	-103.78
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=NN1C	REAL300000468618	0	40	-2.0	-121.85	346.77	6.31	-115.54
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1C	REAL300000468619	0	34	-2.0	-116.24	319.58	5.02	-111.22
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1C	REAL300000468620	0	40	-2.0	-104.69	357.67	6.55	-98.14
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1C	REAL300000468621	0	31	-2.0	-112.59	307.30	3.98	-108.61
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1C	REAL300000468622	0	37	-2.0	-119.73	329.54	5.73	-114.00
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NN1C	REAL300000468623	0	38	-2.0	-104.00	345.18	5.24	-98.76
CCC1=CC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=NN1C	REAL300000468624	0	45	-2.0	-100.62	390.94	6.02	-94.60
CCC1=CC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=NN1C	REAL300000468625	0	31	-2.0	-109.36	324.32	4.73	-104.63
CCC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1C	REAL300000468626	0	35	-2.0	-117.08	320.76	4.30	-112.78
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NN1C	REAL300000468627	0	38	-2.0	-120.28	337.90	3.79	-116.49
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1C	REAL300000468628	0	34	-2.0	-108.65	323.22	4.64	-104.01
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=NN1C	REAL300000468629	0	40	-2.0	-122.34	349.55	6.37	-115.97
CCC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1C	REAL300000468630	0	31	-2.0	-114.22	305.76	3.98	-110.24
CCC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=NN1C	REAL300000468631	0	42	-2.0	-118.92	372.42	4.77	-114.15
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=NN1C	REAL300000468632	0	38	-2.0	-124.62	341.39	5.02	-119.60
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=NN1C	REAL300000468633	0	44	-2.0	-123.88	369.34	7.58	-116.30
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=NN1C	REAL300000468634	0	43	-2.0	-122.21	368.00	6.96	-115.25
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=NN1C	REAL300000468635	0	40	-2.0	-117.84	344.23	6.67	-111.17
CCC1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=NN1C	REAL300000468636	0	41	-2.0	-124.66	364.52	5.53	-119.13
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=NN1C	REAL300000468637	0	36	-3.0	-194.19	342.51	5.52	-188.67
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=NN1C	REAL300000468638	0	41	-2.0	-124.16	358.35	6.84	-117.32
CCC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1C	REAL300000468639	0	34	-2.0	-112.01	317.11	4.10	-107.91
CCC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=NN1C	REAL300000468640	0	40	-2.0	-123.52	356.28	4.73	-118.79
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=NN1C	REAL300000468641	0	38	-2.0	-119.86	343.03	4.06	-115.80
CCC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=NN1C	REAL300000468642	0	42	-2.0	-105.60	367.74	5.58	-100.02
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=NN1C	REAL300000468643	0	34	-2.0	-107.90	341.78	5.81	-102.09
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=NN1C	REAL300000468644	0	34	-2.0	-110.57	331.70	5.54	-105.03
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=NN1C	REAL300000468645	0	38	-2.0	-102.33	361.21	5.78	-96.55
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=NN1C	REAL300000468646	0	41	-2.0	-104.56	365.26	5.95	-98.61
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=NN1C	REAL300000468647	0	44	-2.0	-102.95	393.86	6.21	-96.74
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NN1C	REAL300000468648	0	37	-2.0	-109.78	334.82	5.77	-104.01
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=NN1C	REAL300000468649	0	47	-2.0	-104.69	407.72	6.88	-97.81
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=NN1C	REAL300000468650	0	38	-2.0	-103.19	351.41	5.30	-97.89
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(CC)=C2)C=C1C(=O)[O-]	REAL300000468651	0	41	-2.0	-125.27	363.24	5.93	-119.34
CCC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1C	REAL300000468652	0	34	-2.0	-115.81	322.73	4.85	-110.96
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=NN1C	REAL300000468653	0	34	-2.0	-107.76	342.32	5.97	-101.79
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NN1C	REAL300000468654	0	34	-2.0	-102.97	327.16	5.51	-97.46
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=NN1C	REAL300000468655	0	34	-2.0	-102.39	330.51	5.66	-96.73
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1C	REAL300000468656	0	34	-2.0	-104.74	318.64	5.00	-99.74
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1C	REAL300000468657	0	31	-2.0	-107.43	305.64	4.07	-103.36
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1C	REAL300000468658	0	34	-2.0	-109.26	320.51	5.02	-104.24
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=NN1C	REAL300000468659	0	37	-2.0	-117.67	339.86	5.66	-112.01
CCC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=NN1C	REAL300000468660	0	38	-2.0	-107.48	354.41	5.58	-101.90
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1C	REAL300000468661	0	34	-2.0	-105.08	319.57	5.03	-100.05
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1C	REAL300000468662	0	34	-2.0	-102.98	326.61	5.36	-97.62
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=NN1C	REAL300000468663	0	37	-2.0	-111.57	343.55	6.16	-105.41
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=NN1C	REAL300000468664	0	42	-2.0	-101.94	377.84	6.37	-95.57
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=NN1C	REAL300000468665	0	34	-2.0	-102.59	330.35	5.45	-97.14
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NN1C	REAL300000468666	0	34	-2.0	-106.97	324.92	5.05	-101.92
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=NN1C	REAL300000468667	0	36	-2.0	-103.21	342.30	5.63	-97.58
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1C	REAL300000468668	0	35	-2.0	-118.45	323.82	2.68	-115.77
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1C	REAL300000468669	0	37	-2.0	-109.68	336.27	5.74	-103.94
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=NN1C	REAL300000468670	0	34	-2.0	-108.57	334.81	5.49	-103.08
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1C	REAL300000468671	0	37	-2.0	-114.72	324.18	5.58	-109.14
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=NN1C	REAL300000468672	0	37	-2.0	-117.22	338.94	5.61	-111.61
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1C	REAL300000468673	0	37	-2.0	-105.62	329.52	5.73	-99.89
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=NN1C	REAL300000468674	0	40	-2.0	-122.20	346.99	6.02	-116.18
CCC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=NN1C	REAL300000468675	0	36	-2.0	-116.23	340.68	6.05	-110.18
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NN1C	REAL300000468676	0	34	-2.0	-107.45	325.86	5.08	-102.37
CCC1=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=NN1C	REAL300000468677	0	31	-2.0	-104.53	324.10	4.77	-99.76
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1C	REAL300000468678	0	40	-2.0	-118.90	348.58	6.32	-112.58
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=NN1C	REAL300000468679	0	37	-2.0	-117.48	335.60	5.56	-111.92
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=NN1C	REAL300000468680	0	37	-2.0	-116.13	345.87	6.08	-110.05
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=NN1C	REAL300000468681	0	37	-2.0	-123.64	339.12	5.65	-117.99
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=NN1C	REAL300000468682	0	40	-2.0	-120.95	348.39	6.14	-114.81
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=NN1C	REAL300000468683	0	41	-2.0	-121.30	364.58	5.09	-116.21
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=NN1C	REAL300000468684	0	37	-2.0	-107.72	340.37	6.14	-101.58
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=NN1C	REAL300000468685	0	37	-2.0	-101.90	344.24	5.77	-96.13
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=NN1C	REAL300000468686	0	37	-2.0	-116.19	345.33	5.91	-110.28
CCC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=NN1C	REAL300000468687	0	34	-2.0	-111.29	335.40	5.57	-105.72
CCC1=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=NN1C	REAL300000468688	0	38	-2.0	-118.41	342.13	5.18	-113.23
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=NN1C	REAL300000468689	0	46	-2.0	-119.54	379.26	7.83	-111.71
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=NN1C	REAL300000468690	0	34	-2.0	-105.85	339.71	5.51	-100.34
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=NN1C	REAL300000468691	0	38	-2.0	-104.72	358.81	5.26	-99.46
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=NN1C	REAL300000468692	0	37	-2.0	-111.99	343.97	5.92	-106.07
CCC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=NN1C	REAL300000468693	0	43	-2.0	-115.40	363.55	7.05	-108.35
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=NN1C	REAL300000468694	0	38	-2.0	-119.83	354.43	5.58	-114.25
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1C	REAL300000468695	0	37	-2.0	-107.31	334.17	5.60	-101.71
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=NN1C	REAL300000468696	0	39	-2.0	-111.39	357.37	7.14	-104.25
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NN1C	REAL300000468697	0	37	-2.0	-116.95	333.65	5.79	-111.16
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=NN1C	REAL300000468698	0	36	-2.0	-125.87	337.85	6.82	-119.05
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1C	REAL300000468699	0	34	-2.0	-122.87	317.77	4.99	-117.88
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NN1C	REAL300000468700	0	37	-2.0	-110.22	335.27	5.53	-104.69
CCC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=NN1C	REAL300000468701	0	40	-2.0	-127.40	355.15	7.08	-120.32
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1C	REAL300000468702	0	33	-2.0	-116.48	310.32	3.08	-113.40
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=NN1C	REAL300000468703	0	38	-2.0	-110.28	342.31	4.77	-105.51
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1C	REAL300000468704	0	31	-2.0	-105.70	314.24	3.93	-101.77
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=NN1C	REAL300000468705	0	38	-2.0	-113.56	357.89	5.51	-108.05
CCC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=NN1C	REAL300000468706	0	37	-2.0	-109.41	357.45	2.00	-107.41
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=NN1C	REAL300000468707	0	41	-2.0	-112.59	360.23	6.84	-105.75
CCC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=NN1C	REAL300000468708	0	41	-2.0	-116.42	359.54	6.84	-109.58
CCC1=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=NN1C	REAL300000468709	0	37	-2.0	-111.95	335.50	4.94	-107.01
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000468710	0	42	-2.0	-107.43	373.50	2.76	-104.67
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000468711	0	42	-2.0	-97.57	368.95	2.74	-94.83
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000468712	0	42	-2.0	-109.65	368.97	2.73	-106.92
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000468713	0	45	-2.0	-110.78	384.87	3.25	-107.53
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000468714	0	42	-2.0	-106.32	374.45	2.79	-103.53
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000468715	0	39	-2.0	-104.08	362.15	1.75	-102.33
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1OC(C)C	REAL300000468716	0	45	-2.0	-109.43	384.40	3.51	-105.92
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000468717	0	43	-2.0	-108.10	375.64	2.08	-106.02
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2OC(C)C)=C1	REAL300000468718	0	42	-2.0	-100.41	378.10	2.41	-98.00
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000468719	0	39	-2.0	-105.58	360.62	1.77	-103.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000468720	0	42	-2.0	-103.30	372.00	1.87	-101.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2OC(C)C)C=C(C(=O)[O-])S1	REAL300000468721	0	42	-2.0	-106.14	377.60	2.63	-103.51
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000468722	0	42	-2.0	-97.21	373.49	2.77	-94.44
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000468723	0	39	-2.0	-99.21	361.25	1.86	-97.35
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000468724	0	42	-2.0	-100.74	375.39	2.79	-97.95
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000468725	0	42	-2.0	-97.17	374.43	2.80	-94.37
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000468726	0	43	-2.0	-108.03	378.70	0.44	-107.59
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000468727	0	45	-2.0	-100.26	391.14	3.51	-96.75
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1OC(C)C	REAL300000468728	0	45	-2.0	-106.58	379.00	3.35	-103.23
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)C=C1OC(C)C	REAL300000468729	0	45	-2.0	-97.47	384.39	3.50	-93.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000468730	0	46	-2.0	-109.38	397.00	2.95	-106.43
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000468731	0	45	-2.0	-99.25	389.25	3.39	-95.86
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000468732	0	42	-2.0	-114.47	372.62	2.75	-111.72
CC(C)OC1=CC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000468733	0	41	-2.0	-107.53	365.18	0.86	-106.67
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)C=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000468734	0	45	-2.0	-102.69	391.10	2.72	-99.97
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1	REAL300000468735	0	40	-2.0	-94.69	371.95	1.83	-92.86
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC=C1F	REAL300000468736	0	33	-2.0	-112.19	319.88	3.27	-108.92
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCS1	REAL300000468737	0	41	-2.0	-110.28	374.97	4.34	-105.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1	REAL300000468738	0	33	-2.0	-101.52	315.33	3.25	-98.27
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468739	0	33	-2.0	-112.76	315.36	3.24	-109.52
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCS1	REAL300000468740	0	37	-2.0	-116.88	343.49	3.06	-113.82
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1	REAL300000468741	0	37	-2.0	-100.64	346.82	4.54	-96.10
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1C(=O)[O-]	REAL300000468742	0	36	-2.0	-116.92	335.43	3.89	-113.03
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468743	0	33	-2.0	-107.53	328.42	3.80	-103.73
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC=C1Cl	REAL300000468744	0	33	-2.0	-110.42	327.85	3.64	-106.78
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C(Cl)C=C1Cl	REAL300000468745	0	33	-2.0	-103.29	340.92	4.17	-99.12
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCCS2)=C(Cl)C=C1Cl	REAL300000468745	1	32	-3.0	-205.49	337.73	3.39	-202.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1C	REAL300000468746	0	39	-2.0	-113.95	348.01	4.52	-109.43
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468747	0	33	-2.0	-109.20	320.82	3.31	-105.89
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1	REAL300000468748	0	39	-2.0	-99.77	359.06	4.83	-94.94
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468749	0	30	-2.0	-107.40	308.52	2.27	-105.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCS1	REAL300000468750	0	36	-2.0	-111.94	330.78	4.01	-107.93
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1	REAL300000468751	0	37	-2.0	-99.52	346.43	3.53	-95.99
CN1C=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1C(=O)[O-]	REAL300000468752	0	34	-2.0	-113.08	322.00	2.60	-110.48
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCS1	REAL300000468753	0	37	-2.0	-112.43	339.13	2.01	-110.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468754	0	33	-2.0	-104.53	324.47	2.93	-101.60
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1C(=O)[O-]	REAL300000468755	0	39	-2.0	-113.07	346.80	4.55	-108.52
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CS1	REAL300000468756	0	30	-2.0	-108.40	307.55	2.30	-106.10
COC1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC(C(=O)[O-])=C1OC	REAL300000468757	0	41	-2.0	-114.87	373.63	3.05	-111.82
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1C(=O)[O-]	REAL300000468758	0	37	-2.0	-120.52	342.64	3.31	-117.21
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468759	0	43	-2.0	-115.81	370.57	5.78	-110.03
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCS1	REAL300000468760	0	42	-2.0	-113.95	369.24	5.21	-108.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCS1	REAL300000468761	0	39	-2.0	-109.63	345.48	4.76	-104.87
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCS1	REAL300000468762	0	40	-2.0	-118.87	365.78	3.81	-115.06
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC(C(=O)[O-])=C1	REAL300000468763	0	35	-3.0	-189.69	343.90	3.81	-185.88
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468764	0	40	-2.0	-116.18	359.59	5.12	-111.06
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C(C(=O)[O-])O1	REAL300000468765	0	33	-2.0	-105.99	318.38	2.38	-103.61
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC2=C1OCCO2	REAL300000468766	0	39	-2.0	-117.95	357.51	3.02	-114.93
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468767	0	37	-2.0	-115.86	344.32	2.35	-113.51
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCCS3)C=C2C1	REAL300000468768	0	41	-2.0	-101.24	368.98	3.86	-97.38
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC(Cl)=C1Cl	REAL300000468769	0	33	-2.0	-104.18	343.03	4.09	-100.09
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCCS2)=CC(Cl)=C1Cl	REAL300000468769	1	32	-3.0	-207.23	339.85	3.31	-203.92
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C(Cl)C=C1F	REAL300000468770	0	33	-2.0	-104.43	332.93	3.81	-100.62
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCCS2)=C(Cl)C=C1F	REAL300000468770	1	32	-3.0	-205.12	329.75	3.02	-202.10
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1Cl	REAL300000468771	0	37	-2.0	-97.99	362.44	4.07	-93.92
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC=C1OCC(=O)[O-]	REAL300000468772	0	40	-2.0	-100.01	366.50	4.23	-95.78
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCS1	REAL300000468773	0	36	-2.0	-103.17	336.05	4.05	-99.12
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1F	REAL300000468774	0	37	-2.0	-98.93	352.64	3.59	-95.34
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1C(=O)[O-]	REAL300000468775	0	40	-2.0	-119.36	364.48	4.22	-115.14
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C(C(=O)[O-])S1	REAL300000468776	0	33	-2.0	-108.78	323.96	3.14	-105.64
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468777	0	33	-2.0	-101.76	343.57	4.25	-97.51
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2CCCS2)=C1	REAL300000468777	1	32	-3.0	-203.95	340.39	3.46	-200.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C(Cl)=C1	REAL300000468778	0	33	-2.0	-99.28	328.40	3.79	-95.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1F	REAL300000468779	0	33	-2.0	-100.98	319.86	3.28	-97.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)S1	REAL300000468780	0	30	-2.0	-103.25	307.61	2.37	-100.88
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468781	0	33	-2.0	-104.01	321.76	3.31	-100.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1F	REAL300000468782	0	36	-2.0	-110.62	341.11	3.95	-106.67
COC1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C(Cl)C=C1C(=O)[O-]	REAL300000468783	0	37	-2.0	-104.01	355.65	3.85	-100.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C(F)=C1	REAL300000468784	0	33	-2.0	-101.28	320.81	3.31	-97.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1Cl	REAL300000468785	0	33	-2.0	-99.02	327.83	3.65	-95.37
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCS1	REAL300000468786	0	36	-2.0	-104.74	344.79	4.43	-100.31
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1	REAL300000468787	0	41	-2.0	-97.52	379.09	4.66	-92.86
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC(F)=C1F	REAL300000468788	0	33	-2.0	-103.69	326.18	3.34	-100.35
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCCS2)=CC(F)=C1F	REAL300000468788	1	32	-3.0	-203.97	322.99	2.56	-201.41
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468789	0	35	-2.0	-98.41	343.53	3.91	-94.50
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2CCCS2)=C1	REAL300000468789	1	34	-3.0	-201.29	340.36	3.13	-198.16
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468790	0	34	-2.0	-110.18	325.06	0.97	-109.21
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468790	1	33	-3.0	-210.27	321.50	1.85	-208.42
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1	REAL300000468791	0	36	-2.0	-103.87	337.67	4.03	-99.84
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC(Cl)=C1F	REAL300000468792	0	33	-2.0	-105.09	336.06	3.77	-101.32
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCCS2)=CC(Cl)=C1F	REAL300000468792	1	32	-3.0	-206.56	332.88	2.99	-203.57
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1CCCS1	REAL300000468793	0	36	-2.0	-112.85	328.63	3.92	-108.93
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC(C(=O)[O-])=C1F	REAL300000468794	0	36	-2.0	-113.54	340.18	3.89	-109.65
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCCS1	REAL300000468795	0	36	-2.0	-101.14	330.76	4.00	-97.14
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC(C(=O)[O-])=C1C	REAL300000468796	0	39	-2.0	-115.89	348.22	4.31	-111.58
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC=C1[N+](=O)[O-]	REAL300000468797	0	35	-2.0	-113.34	341.92	4.33	-109.01
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCCS2)=CC=C1[N+](=O)[O-]	REAL300000468797	1	34	-3.0	-212.73	338.74	3.55	-209.18
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468798	0	33	-2.0	-101.52	327.09	3.37	-98.15
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2CCCS2)=C1	REAL300000468798	1	32	-3.0	-205.61	323.91	2.59	-203.02
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C(C)=C1C(=O)[O-]	REAL300000468799	0	39	-2.0	-116.39	348.73	4.57	-111.82
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1C(=O)[O-]	REAL300000468800	0	36	-2.0	-111.46	340.66	3.94	-107.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1Cl	REAL300000468801	0	36	-2.0	-109.29	347.09	4.37	-104.92
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468802	0	36	-2.0	-120.94	340.37	3.94	-117.00
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1C(=O)[O-]	REAL300000468803	0	39	-2.0	-114.55	349.63	4.43	-110.12
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1CC(=O)[O-]	REAL300000468804	0	40	-2.0	-117.06	365.82	3.38	-113.68
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1CCCS1	REAL300000468805	0	36	-2.0	-104.77	341.61	4.35	-100.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1C(F)(F)F	REAL300000468806	0	36	-2.0	-98.00	345.46	4.06	-93.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2CCCS2)C=C1C(F)(F)F	REAL300000468806	1	35	-3.0	-196.35	342.30	3.28	-193.07
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC(C(=O)[O-])=C1Cl	REAL300000468807	0	36	-2.0	-112.27	346.56	4.21	-108.06
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1C(=O)[O-]	REAL300000468808	0	37	-2.0	-113.01	343.37	3.45	-109.56
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C(C)=C1CC(=O)[O-]	REAL300000468809	0	45	-2.0	-111.68	380.50	6.09	-105.59
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1C(=O)[O-]	REAL300000468810	0	36	-2.0	-109.20	349.13	4.31	-104.89
CC(C)(C)C1=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C(C(=O)[O-])S1	REAL300000468811	0	42	-2.0	-108.51	365.07	5.15	-103.36
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1C(=O)[O-]	REAL300000468812	0	37	-2.0	-113.05	355.67	3.86	-109.19
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC=C1C(=O)[O-]	REAL300000468813	0	36	-2.0	-101.67	331.35	3.79	-97.88
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C([N+](=O)[O-])=C1	REAL300000468814	0	38	-2.0	-105.51	358.63	5.30	-100.21
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCCS1	REAL300000468815	0	36	-2.0	-109.76	334.87	4.01	-105.75
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1[N+](=O)[O-]	REAL300000468816	0	35	-2.0	-123.51	339.07	5.10	-118.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)C2CCCS2)=C1[N+](=O)[O-]	REAL300000468816	1	34	-3.0	-231.72	335.89	4.31	-227.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1F	REAL300000468817	0	33	-2.0	-120.19	319.00	3.28	-116.91
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C1C(=O)[O-]	REAL300000468818	0	36	-2.0	-107.35	340.31	3.92	-103.43
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=CC2=CC=CC=C21	REAL300000468819	0	39	-2.0	-123.02	356.39	5.37	-117.65
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C1	REAL300000468820	0	32	-2.0	-111.77	311.56	1.38	-110.39
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCCS1	REAL300000468821	0	37	-2.0	-105.48	343.55	3.05	-102.43
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCCS2)=C(Cl)O1	REAL300000468822	0	30	-2.0	-100.78	315.50	2.22	-98.56
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCCS2)=C(Cl)O1	REAL300000468822	1	29	-3.0	-199.37	312.31	1.43	-197.94
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCCS3)C=C2)CC1	REAL300000468823	0	40	-2.0	-107.66	361.62	5.13	-102.53
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCCS3)C=C2C1	REAL300000468824	0	40	-2.0	-109.13	360.79	5.14	-103.99
CCC1=C(S(=O)(=O)[N-]NC(=O)C2CCCS2)C=C(C(=O)[O-])O1	REAL300000468825	0	36	-2.0	-105.47	337.47	3.17	-102.30
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC(Br)=C1C#N	REAL300000468826	1	32	-2.0	-83.68	323.82	6.51	-77.17
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC(Br)=C1C#N	REAL300000468827	1	32	-2.0	-94.71	323.84	6.50	-88.21
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC(Br)=C1C#N	REAL300000468828	0	33	-2.0	-93.41	330.49	5.85	-87.56
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C(C#N)=C2C)C=C(C(=O)[O-])O1	REAL300000468829	0	32	-2.0	-89.88	326.83	5.65	-84.23
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC(Br)=C1C#N	REAL300000468830	0	31	-2.0	-91.82	320.81	4.57	-87.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)=CC=C1F	REAL300000468831	0	32	-2.0	-103.51	325.94	5.16	-98.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)C=C1	REAL300000468832	0	32	-2.0	-93.68	321.37	5.14	-88.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)=C1	REAL300000468833	0	32	-2.0	-106.00	321.40	5.14	-100.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000468834	0	35	-2.0	-107.09	337.41	5.66	-101.43
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)=C1	REAL300000468835	0	32	-2.0	-103.42	326.86	5.19	-98.23
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)=C1	REAL300000468836	0	29	-2.0	-100.52	314.59	4.15	-96.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1OC(F)F	REAL300000468837	0	35	-2.0	-107.17	336.83	5.91	-101.26
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000468838	0	33	-2.0	-104.29	328.05	4.48	-99.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)=C1	REAL300000468839	0	32	-2.0	-96.49	330.53	4.82	-91.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)=CS1	REAL300000468840	0	29	-2.0	-101.87	313.05	4.17	-97.70
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000468841	0	32	-2.0	-100.18	324.41	4.27	-95.91
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300000468842	0	32	-2.0	-103.46	331.09	5.01	-98.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)C=C1F	REAL300000468843	0	32	-2.0	-93.22	325.92	5.18	-88.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)S1	REAL300000468844	0	29	-2.0	-95.41	313.65	4.26	-91.15
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)=C1	REAL300000468845	0	32	-2.0	-96.94	327.81	5.19	-91.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)C(F)=C1	REAL300000468846	0	32	-2.0	-93.01	326.86	5.21	-87.80
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)=C1	REAL300000468847	0	33	-2.0	-106.09	331.11	2.84	-103.25
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)C=C1	REAL300000468848	0	35	-2.0	-97.57	343.58	5.91	-91.66
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1OC(F)F	REAL300000468849	0	35	-2.0	-101.77	331.43	5.77	-96.00
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC=C1OC(F)F	REAL300000468850	0	35	-2.0	-93.85	336.82	5.91	-87.94
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000468851	0	36	-2.0	-105.56	349.34	5.35	-100.21
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000468852	0	35	-2.0	-93.70	337.40	5.67	-88.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)=C1F	REAL300000468853	0	32	-2.0	-109.48	325.03	5.16	-104.32
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)=C1	REAL300000468854	0	31	-2.0	-103.54	318.37	3.20	-100.34
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000468855	0	35	-2.0	-100.01	343.53	5.12	-94.89
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1	REAL300000468856	0	38	-2.0	-87.22	351.83	4.69	-82.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC=C1F	REAL300000468857	1	31	-2.0	-110.24	302.52	6.06	-104.18
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)F	REAL300000468858	0	39	-2.0	-104.95	355.01	7.18	-97.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1	REAL300000468859	1	31	-2.0	-93.89	295.39	6.11	-87.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468860	1	31	-2.0	-113.01	297.99	6.03	-106.98
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)F	REAL300000468861	0	35	-2.0	-112.20	323.53	5.90	-106.30
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1	REAL300000468862	1	35	-2.0	-93.10	326.82	7.39	-85.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1C(=O)[O-]	REAL300000468863	1	34	-2.0	-114.34	314.01	6.57	-107.77
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468864	0	31	-2.0	-102.28	308.46	6.67	-95.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC=C1Cl	REAL300000468865	1	31	-2.0	-108.76	310.49	6.43	-102.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C(Cl)C=C1Cl	REAL300000468866	0	31	-2.0	-98.03	320.96	7.04	-90.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1C	REAL300000468867	1	37	-2.0	-110.02	328.50	7.44	-102.58
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468868	0	31	-2.0	-103.83	300.87	6.16	-97.67
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1	REAL300000468869	1	37	-2.0	-92.50	338.97	7.69	-84.81
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468870	0	28	-2.0	-101.64	288.57	5.11	-96.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)F	REAL300000468871	1	34	-2.0	-108.10	310.82	6.89	-101.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1	REAL300000468872	1	35	-2.0	-91.97	326.44	6.38	-85.59
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1C(=O)[O-]	REAL300000468873	0	32	-2.0	-105.49	302.05	5.44	-100.05
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)F	REAL300000468874	1	35	-2.0	-108.36	319.59	4.91	-103.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468875	0	31	-2.0	-96.36	304.52	5.78	-90.58
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1C(=O)[O-]	REAL300000468876	1	37	-2.0	-114.42	329.43	7.35	-107.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CS1	REAL300000468877	0	28	-2.0	-108.66	289.64	5.07	-103.59
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC(C(=O)[O-])=C1OC	REAL300000468878	1	39	-2.0	-107.98	353.68	5.91	-102.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1C(=O)[O-]	REAL300000468879	1	35	-2.0	-118.88	325.26	6.10	-112.78
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468880	1	41	-2.0	-117.33	353.23	8.66	-108.67
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)F	REAL300000468881	1	40	-2.0	-115.03	350.86	8.02	-107.01
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)F	REAL300000468882	1	37	-2.0	-110.74	321.03	7.53	-103.21
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)F	REAL300000468883	0	38	-2.0	-112.93	345.82	6.66	-106.27
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C(F)F)=CC(C(=O)[O-])=C1	REAL300000468884	0	34	-2.0	-110.62	322.49	6.57	-104.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC(C(=O)[O-])=C1	REAL300000468884	1	33	-3.0	-182.05	323.78	6.66	-175.39
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468885	1	38	-2.0	-112.29	339.63	7.99	-104.30
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C(C(=O)[O-])O1	REAL300000468886	0	31	-2.0	-106.24	300.99	5.17	-101.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC2=C1OCCO2	REAL300000468887	1	37	-2.0	-118.13	340.16	5.81	-112.32
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468888	0	35	-2.0	-106.29	324.35	5.19	-101.10
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(F)F)C=C2C1	REAL300000468889	1	39	-2.0	-98.59	350.90	6.64	-91.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC(Cl)=C1Cl	REAL300000468890	0	31	-2.0	-96.87	323.05	6.95	-89.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C(Cl)C=C1F	REAL300000468891	0	31	-2.0	-99.14	312.98	6.68	-92.46
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1Cl	REAL300000468892	1	35	-2.0	-96.25	345.08	6.86	-89.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC=C1OCC(=O)[O-]	REAL300000468893	1	38	-2.0	-98.34	349.13	7.03	-91.31
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)F	REAL300000468894	0	34	-2.0	-98.57	316.11	6.92	-91.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC=C1OCCCC(=O)[O-]	REAL300000468895	1	44	-2.0	-98.17	391.58	7.96	-90.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1F	REAL300000468896	1	35	-2.0	-97.16	335.28	6.38	-90.78
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1C(=O)[O-]	REAL300000468897	1	38	-2.0	-119.56	347.12	7.01	-112.55
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C(C(=O)[O-])S1	REAL300000468898	0	31	-2.0	-109.46	306.61	5.93	-103.53
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468899	0	31	-2.0	-96.09	323.62	7.12	-88.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C(Cl)=C1	REAL300000468900	0	31	-2.0	-97.31	311.04	6.60	-90.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1F	REAL300000468901	0	31	-2.0	-99.49	302.50	6.07	-93.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)S1	REAL300000468902	0	28	-2.0	-95.42	287.64	5.23	-90.19
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468903	0	31	-2.0	-96.31	301.82	6.16	-90.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1F	REAL300000468904	0	34	-2.0	-105.44	321.13	6.79	-98.65
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C(Cl)C=C1C(=O)[O-]	REAL300000468905	0	35	-2.0	-95.98	335.70	6.72	-89.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C(F)=C1	REAL300000468906	0	31	-2.0	-99.73	303.45	6.11	-93.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1Cl	REAL300000468907	1	31	-2.0	-97.65	310.47	6.44	-91.21
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)F	REAL300000468908	0	34	-2.0	-100.33	324.84	7.31	-93.02
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1	REAL300000468909	0	39	-2.0	-90.02	359.14	7.51	-82.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC(F)=C1F	REAL300000468910	0	31	-2.0	-96.32	306.19	6.19	-90.13
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468911	0	33	-2.0	-90.74	323.56	6.77	-83.97
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468912	0	32	-2.0	-106.82	305.10	3.81	-103.01
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1	REAL300000468913	1	34	-2.0	-97.30	317.57	6.88	-90.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC(Cl)=C1F	REAL300000468914	1	31	-2.0	-97.79	316.08	6.63	-91.16
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)F	REAL300000468915	1	34	-2.0	-101.46	305.43	6.74	-94.72
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC(C(=O)[O-])=C1F	REAL300000468916	1	34	-2.0	-103.95	320.21	6.75	-97.20
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)F	REAL300000468917	1	34	-2.0	-99.91	313.40	6.80	-93.11
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC(C(=O)[O-])=C1C	REAL300000468918	1	37	-2.0	-110.50	328.25	7.17	-103.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC=C1[N+](=O)[O-]	REAL300000468919	0	33	-2.0	-110.78	324.54	7.13	-103.65
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468920	0	31	-2.0	-95.52	307.12	6.22	-89.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C(C)=C1C(=O)[O-]	REAL300000468921	1	37	-2.0	-105.64	329.87	7.49	-98.15
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1C(=O)[O-]	REAL300000468922	0	34	-2.0	-105.01	316.86	6.70	-98.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1Cl	REAL300000468923	0	34	-2.0	-104.17	327.16	7.23	-96.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468924	0	34	-2.0	-109.79	320.42	6.79	-103.00
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1C(=O)[O-]	REAL300000468925	1	37	-2.0	-115.05	331.95	7.22	-107.83
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1CC(=O)[O-]	REAL300000468926	1	38	-2.0	-115.79	348.45	6.17	-109.62
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)F	REAL300000468927	0	34	-2.0	-94.94	322.18	7.25	-87.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1C(F)(F)F	REAL300000468928	1	34	-2.0	-96.50	328.10	6.85	-89.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC(C(=O)[O-])=C1Cl	REAL300000468929	1	34	-2.0	-102.75	326.60	7.06	-95.69
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1C(=O)[O-]	REAL300000468930	0	35	-2.0	-106.74	323.40	6.31	-100.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C(F)C(Cl)=C1F	REAL300000468931	0	31	-2.0	-94.31	320.99	6.65	-87.66
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1C(=O)[O-]	REAL300000468932	1	34	-2.0	-100.62	325.24	7.06	-93.56
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C(C(=O)[O-])S1	REAL300000468933	0	40	-2.0	-108.54	342.33	8.04	-100.50
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1C(=O)[O-]	REAL300000468934	0	35	-2.0	-107.96	335.71	6.73	-101.23
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC=C1C(=O)[O-]	REAL300000468935	1	34	-2.0	-101.86	318.04	6.68	-95.18
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C([N+](=O)[O-])=C1	REAL300000468936	0	36	-2.0	-97.17	338.64	8.29	-88.88
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)F	REAL300000468937	1	34	-2.0	-105.58	315.34	6.91	-98.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1[N+](=O)[O-]	REAL300000468938	0	33	-2.0	-119.80	321.31	7.87	-111.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1F	REAL300000468939	0	31	-2.0	-108.94	299.02	6.12	-102.82
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C1C(=O)[O-]	REAL300000468940	0	34	-2.0	-98.91	316.54	6.67	-92.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=CC2=CC=CC=C21	REAL300000468941	0	37	-2.0	-121.70	339.03	8.15	-113.55
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C1	REAL300000468942	0	30	-2.0	-103.25	291.60	4.21	-99.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)F	REAL300000468943	0	35	-2.0	-104.17	326.19	5.83	-98.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)=C(Cl)O1	REAL300000468944	0	28	-2.0	-100.46	298.09	5.01	-95.45
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(F)F)C=C2)CC1	REAL300000468945	1	38	-2.0	-100.80	341.50	7.99	-92.81
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C(F)F)C=C2C1	REAL300000468946	1	38	-2.0	-110.18	342.08	7.91	-102.27
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)F)C=C(C(=O)[O-])O1	REAL300000468947	0	34	-2.0	-101.03	317.11	6.07	-94.96
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CCO)C2=CC=C(F)C(F)=C2)=C1	REAL300000468983	0	36	-2.0	-113.85	321.38	3.83	-110.02
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000469005	0	41	-2.0	-107.58	371.83	6.89	-100.69
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000469006	0	41	-2.0	-97.74	367.25	6.86	-90.88
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000469007	0	41	-2.0	-110.05	367.31	6.86	-103.19
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000469008	0	45	-2.0	-97.34	398.75	8.16	-89.18
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000469009	0	44	-2.0	-111.44	383.33	7.39	-104.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)C3=CC=CC=C3)N=C2)=C1C	REAL300000469010	0	47	-2.0	-113.34	399.70	8.18	-105.16
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000469011	0	41	-2.0	-107.53	372.79	6.92	-100.61
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000469012	0	47	-2.0	-96.62	410.86	8.45	-88.17
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000469013	0	38	-2.0	-104.35	360.49	5.89	-98.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C2=CC=CC=C2)N=C1	REAL300000469014	0	44	-2.0	-111.42	382.74	7.65	-103.77
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000469015	0	42	-2.0	-108.59	373.95	6.22	-102.37
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C(C)C3=CC=CC=C3)N=C2)=C1	REAL300000469016	0	41	-2.0	-100.53	376.46	6.54	-93.99
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C(C)C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000469017	0	47	-2.0	-112.89	398.41	8.21	-104.68
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000469018	0	38	-2.0	-105.75	358.95	5.90	-99.85
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C2=CC=CC=C2)N=C1	REAL300000469019	0	47	-2.0	-109.77	397.46	8.57	-101.20
CC1=C(S(=O)(=O)[N-]C2=CN(C(C)C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000469020	0	41	-2.0	-104.27	370.31	6.01	-98.26
CC1=C(S(=O)(=O)[N-]C2=CN(C(C)C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000469021	0	41	-2.0	-107.58	377.04	6.75	-100.83
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000469022	0	41	-2.0	-97.22	371.83	6.90	-90.32
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000469023	0	38	-2.0	-99.32	359.57	5.99	-93.33
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000469024	0	41	-2.0	-100.93	373.70	6.92	-94.01
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000469025	0	41	-2.0	-97.11	372.81	6.94	-90.17
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000469026	0	42	-2.0	-110.45	377.06	4.58	-105.87
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000469027	0	44	-2.0	-101.39	389.47	7.64	-93.75
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C2=CC=CC=C2)N=C1	REAL300000469028	0	44	-2.0	-106.18	377.37	7.48	-98.70
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C2=CC=CC=C2)N=C1	REAL300000469029	0	44	-2.0	-98.00	382.76	7.64	-90.36
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000469030	0	47	-2.0	-114.70	404.11	8.02	-106.68
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C3=CC=CC=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000469031	0	47	-2.0	-110.43	401.79	8.23	-102.20
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000469032	0	47	-2.0	-112.22	401.27	8.04	-104.18
CCN1C=C(S(=O)(=O)[N-]C2=CN(C(C)C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000469033	0	45	-2.0	-109.84	395.33	7.09	-102.75
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000469034	0	44	-2.0	-97.94	383.30	7.41	-90.53
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000469035	0	41	-2.0	-113.93	370.92	6.89	-107.04
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000469036	0	40	-2.0	-107.69	363.51	4.99	-102.70
CC(C1=CC=CC=C1)N1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000469037	0	38	-2.0	-98.03	367.45	5.84	-92.19
CCC1=C(S(=O)(=O)[N-]C2=CN(C(C)C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000469038	0	44	-2.0	-104.18	389.43	6.86	-97.32
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1C1=CC(C)=CC=C1	REAL300000469039	0	41	-2.0	-110.03	373.90	7.28	-102.75
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC(C)=CC=C1	REAL300000469040	0	41	-2.0	-99.69	367.93	7.22	-92.47
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC(C)=CC=C1	REAL300000469041	0	41	-2.0	-112.08	367.95	7.21	-104.87
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=NN1C1=CC(C)=CC=C1	REAL300000469042	0	45	-2.0	-99.26	399.40	8.51	-90.75
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC(C)=CC=C1	REAL300000469043	0	44	-2.0	-113.72	385.09	7.78	-105.94
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=NN1C1=CC(C)=CC=C1	REAL300000469044	0	47	-2.0	-115.20	401.10	8.55	-106.65
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=NN1C1=CC(C)=CC=C1	REAL300000469045	0	41	-2.0	-109.72	373.47	7.27	-102.45
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=NN1C1=CC(C)=CC=C1	REAL300000469046	0	47	-2.0	-98.67	412.92	8.84	-89.83
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C1=CC(C)=CC=C1	REAL300000469047	0	38	-2.0	-106.26	361.18	6.24	-100.02
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NN1C1=CC(C)=CC=C1	REAL300000469048	0	44	-2.0	-113.42	383.43	8.00	-105.42
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1C1=CC(C)=CC=C1	REAL300000469049	0	42	-2.0	-110.93	376.00	6.61	-104.32
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)N(C3=CC(C)=CC=C3)N=C2)=C1	REAL300000469050	0	41	-2.0	-102.42	378.46	6.93	-95.49
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=NN1C1=CC(C)=CC=C1	REAL300000469051	0	47	-2.0	-116.54	404.56	8.66	-107.88
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C1=CC(C)=CC=C1	REAL300000469052	0	38	-2.0	-107.71	359.60	6.25	-101.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C2=CC=CC(C)=C2)N=C1	REAL300000469053	0	47	-2.0	-112.20	399.46	8.97	-103.23
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC(C)=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000469054	0	41	-2.0	-106.60	372.35	6.40	-100.20
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC(C)=CC=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000469055	0	41	-2.0	-110.29	377.96	7.15	-103.14
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=NN1C1=CC(C)=CC=C1	REAL300000469056	0	41	-2.0	-99.16	373.87	7.29	-91.87
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1=CC(C)=CC=C1	REAL300000469057	0	38	-2.0	-101.32	361.62	6.38	-94.94
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=NN1C1=CC(C)=CC=C1	REAL300000469058	0	41	-2.0	-102.94	375.77	7.31	-95.63
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=NN1C1=CC(C)=CC=C1	REAL300000469059	0	41	-2.0	-99.01	374.80	7.33	-91.68
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=NN1C1=CC(C)=CC=C1	REAL300000469060	0	42	-2.0	-112.64	377.71	4.94	-107.70
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1C1=CC(C)=CC=C1	REAL300000469061	0	44	-2.0	-103.47	390.12	7.99	-95.48
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NN1C1=CC(C)=CC=C1	REAL300000469062	0	44	-2.0	-107.88	379.94	7.90	-99.98
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NN1C1=CC(C)=CC=C1	REAL300000469063	0	44	-2.0	-99.88	383.41	7.99	-91.89
CC1=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC(C)=CC=C1	REAL300000469064	0	47	-2.0	-115.21	402.78	8.33	-106.88
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=NN1C1=CC(C)=CC=C1	REAL300000469065	0	47	-2.0	-112.09	402.94	8.66	-103.43
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC(C)=C3)N=C2)C=C1C(=O)[O-]	REAL300000469066	0	47	-2.0	-114.48	403.63	8.43	-106.05
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC(C)=C3)N=C2)C=C1C(=O)[O-]	REAL300000469067	0	45	-2.0	-111.77	395.97	7.44	-104.33
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C1=CC(C)=CC=C1	REAL300000469068	0	44	-2.0	-99.90	385.07	7.80	-92.10
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=NN1C1=CC(C)=CC=C1	REAL300000469069	0	41	-2.0	-115.57	372.98	7.27	-108.30
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1C1=CC(C)=CC=C1	REAL300000469070	0	40	-2.0	-109.93	364.16	5.34	-104.59
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=NN1C1=CC(C)=CC=C1	REAL300000469071	0	38	-2.0	-100.25	369.44	6.24	-94.01
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=CC(C)=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000469072	0	44	-2.0	-106.50	391.47	7.25	-99.25
O=C([O-])C1=CC(S(=O)(=O)NC2=CN(CCO)C(=O)C=C2)=CC(C(=O)[O-])=C1	REAL300000469100	0	38	-2.0	-116.03	346.63	1.66	-114.37
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CN(CCO)C(=O)C=C2)=C1	REAL300000469123	0	36	-2.0	-102.56	325.78	0.16	-102.40
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(CCO)C(=O)C=C2)=C1	REAL300000469131	1	35	-2.0	-95.41	333.43	2.08	-93.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCO)C(=O)C=C2)=C(Cl)O1	REAL300000469152	1	32	-2.0	-94.94	321.82	0.94	-94.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=C(Cl)S3)N=C2)C=C1	REAL300000469156	0	33	-2.0	-88.12	343.75	5.78	-82.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(C3=CC=C(Cl)S3)N=C2)=C1	REAL300000469157	0	33	-2.0	-98.92	343.78	5.77	-93.15
CN1C=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=C(Cl)S3)N=C2)C=C1C(=O)[O-]	REAL300000469158	0	34	-2.0	-97.40	350.42	5.13	-92.27
CC1=C(S(=O)(=O)[N-]C2=CN=C(C3=CC=C(Cl)S3)N=C2)C=C(C(=O)[O-])O1	REAL300000469159	0	33	-2.0	-93.70	346.78	4.92	-88.78
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=C(C3=CC=C(Cl)S3)N=C2)=C1	REAL300000469160	0	32	-2.0	-95.99	340.76	3.84	-92.15
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000469161	0	39	-2.0	-85.87	360.02	0.39	-85.48
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000469162	0	32	-2.0	-101.12	308.12	1.83	-99.29
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469163	0	40	-2.0	-102.05	363.19	2.91	-99.14
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000469164	0	32	-2.0	-98.32	319.99	2.48	-95.84
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000469165	0	32	-2.0	-91.44	303.55	1.81	-89.63
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000469166	0	32	-2.0	-102.99	303.57	1.80	-101.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469167	0	36	-2.0	-107.81	331.71	1.61	-106.20
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000469168	0	32	-2.0	-98.66	319.83	2.29	-96.37
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000469169	0	36	-2.0	-91.50	335.02	3.10	-88.40
CC1=CC=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C1C(=O)[O-]	REAL300000469170	0	35	-2.0	-104.01	319.61	2.34	-101.67
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000469171	0	32	-2.0	-98.73	316.64	2.36	-96.37
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000469172	0	32	-2.0	-99.17	316.09	2.20	-96.97
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000469173	0	32	-2.0	-94.57	329.14	2.73	-91.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)OC(C)C)=C1C	REAL300000469174	0	38	-2.0	-105.34	335.96	3.11	-102.23
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000469175	0	32	-2.0	-99.73	309.04	1.87	-97.86
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000469176	0	38	-2.0	-90.63	347.13	3.39	-87.24
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000469177	0	29	-2.0	-97.56	296.75	0.83	-96.73
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469178	0	35	-2.0	-103.59	319.00	2.58	-101.01
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000469179	0	36	-2.0	-90.17	334.64	2.09	-88.08
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000469180	0	43	-2.0	-86.91	380.41	2.87	-84.04
CC(C)OC(=O)N[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000469181	0	29	-2.0	-94.60	313.78	1.58	-93.02
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000469182	0	33	-2.0	-101.74	310.22	1.16	-100.58
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469183	0	36	-2.0	-104.23	327.77	0.62	-103.61
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000469184	0	32	-2.0	-99.09	328.47	2.44	-96.65
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)OC(C)C)=C1	REAL300000469185	0	32	-2.0	-93.78	312.69	1.49	-92.29
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C1C(=O)[O-]	REAL300000469186	0	38	-2.0	-104.68	335.03	3.13	-101.55
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000469187	0	29	-2.0	-99.03	295.22	0.85	-98.18
COC1=CC(S(=O)(=O)[N-]NC(=O)OC(C)C)=CC(C(=O)[O-])=C1OC	REAL300000469188	0	40	-2.0	-103.40	361.90	1.61	-101.79
COC1=CC=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C1C(=O)[O-]	REAL300000469189	0	36	-2.0	-108.93	330.86	1.87	-107.06
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000469190	0	42	-2.0	-107.03	358.80	4.34	-102.69
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000469191	0	41	-2.0	-105.58	357.47	3.79	-101.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469192	0	38	-2.0	-102.07	333.71	3.32	-98.75
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469193	0	39	-2.0	-108.47	354.00	2.37	-106.10
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000469194	0	34	-3.0	-175.32	331.98	2.37	-172.95
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000469195	0	39	-2.0	-107.43	347.82	3.68	-103.75
CC1=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C(C(=O)[O-])O1	REAL300000469196	0	32	-2.0	-97.15	306.58	0.95	-96.20
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000469197	0	38	-2.0	-107.65	345.75	1.58	-106.07
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)OC(C)C)=C1	REAL300000469198	0	36	-2.0	-104.31	332.47	0.91	-103.40
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000469199	0	40	-2.0	-91.27	357.20	2.41	-88.86
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000469200	0	32	-2.0	-93.16	331.25	2.65	-90.51
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000469201	0	32	-2.0	-95.92	321.16	2.38	-93.54
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000469202	0	36	-2.0	-88.92	350.69	2.63	-86.29
CC1=CC(S(=O)(=O)[N-]NC(=O)OC(C)C)=CC=C1OCC(=O)[O-]	REAL300000469203	0	39	-2.0	-90.59	354.72	2.79	-87.80
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000469204	0	42	-2.0	-90.16	383.32	3.06	-87.10
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469205	0	35	-2.0	-94.77	324.27	2.60	-92.17
CC1=CC(S(=O)(=O)[N-]NC(=O)OC(C)C)=CC=C1OCCCC(=O)[O-]	REAL300000469206	0	45	-2.0	-90.99	397.17	3.72	-87.27
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000469207	0	36	-2.0	-90.00	340.87	2.15	-87.85
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000469208	0	42	-2.0	-89.74	393.12	3.54	-86.20
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C1C(=O)[O-]	REAL300000469209	0	39	-2.0	-109.58	352.71	2.78	-106.80
CC1=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C(C(=O)[O-])S1	REAL300000469210	0	32	-2.0	-100.38	312.17	1.70	-98.68
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000469211	0	32	-2.0	-92.76	331.79	2.81	-89.95
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000469212	0	32	-2.0	-89.24	316.62	2.35	-86.89
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000469213	0	32	-2.0	-88.93	319.97	2.48	-86.45
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000469214	0	32	-2.0	-91.22	308.09	1.84	-89.38
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000469215	0	29	-2.0	-92.67	295.84	0.93	-91.74
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000469216	0	32	-2.0	-94.26	309.99	1.87	-92.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)OC(C)C)=C1F	REAL300000469217	0	35	-2.0	-101.00	329.33	2.51	-98.49
COC1=CC(S(=O)(=O)[N-]NC(=O)OC(C)C)=C(Cl)C=C1C(=O)[O-]	REAL300000469218	0	36	-2.0	-93.81	343.88	2.42	-91.39
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000469219	0	32	-2.0	-90.52	309.03	1.87	-88.65
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000469220	0	32	-2.0	-89.12	316.06	2.21	-86.91
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469221	0	35	-2.0	-96.30	333.01	2.99	-93.31
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469222	0	35	-2.0	-93.38	334.40	3.02	-90.36
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000469223	0	40	-2.0	-88.62	367.31	3.22	-85.40
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000469224	0	32	-2.0	-88.66	319.80	2.30	-86.36
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000469225	0	32	-2.0	-93.06	314.40	1.90	-91.16
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000469226	0	34	-2.0	-88.73	331.77	2.47	-86.26
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000469227	0	33	-2.0	-102.29	313.28	-0.47	-102.76
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000469227	1	32	-3.0	-193.26	309.72	0.41	-192.85
CC1=C(Br)C=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C1C(=O)[O-]	REAL300000469228	0	35	-2.0	-96.84	337.47	2.87	-93.97
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000469229	0	35	-2.0	-94.48	325.74	2.59	-91.89
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000469230	0	32	-2.0	-94.22	324.28	2.33	-91.89
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469231	0	35	-2.0	-99.56	313.64	2.44	-97.12
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469232	0	35	-2.0	-96.71	337.04	3.08	-93.63
CC1=CC(S(=O)(=O)[N-]NC(=O)OC(C)C)=CC(C(=O)[O-])=C1F	REAL300000469233	0	35	-2.0	-102.17	328.40	2.45	-99.72
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469234	0	35	-2.0	-91.75	318.57	2.52	-89.23
CC1=CC(S(=O)(=O)[N-]NC(=O)OC(C)C)=CC(C(=O)[O-])=C1C	REAL300000469235	0	38	-2.0	-107.08	340.37	2.97	-104.11
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000469236	0	34	-2.0	-102.16	330.14	2.90	-99.26
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000469237	0	32	-2.0	-91.81	315.32	1.93	-89.88
CC(C)OC(=O)N[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000469238	0	29	-2.0	-90.06	316.15	1.47	-88.59
CC1=CC=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C(C)=C1C(=O)[O-]	REAL300000469239	0	38	-2.0	-103.78	336.96	3.13	-100.65
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C1C(=O)[O-]	REAL300000469240	0	35	-2.0	-100.62	325.04	2.40	-98.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)OC(C)C)=C1Cl	REAL300000469241	0	35	-2.0	-100.33	335.33	2.93	-97.40
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)OC(C)C)=C1	REAL300000469242	0	35	-2.0	-107.60	328.60	2.49	-105.11
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C1C(=O)[O-]	REAL300000469243	0	38	-2.0	-104.46	337.85	2.99	-101.47
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000469244	0	32	-2.0	-95.59	324.51	2.51	-93.08
COC1=CC=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C1CC(=O)[O-]	REAL300000469245	0	39	-2.0	-105.53	354.04	1.93	-103.60
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469246	0	35	-2.0	-93.05	329.83	2.90	-90.15
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000469247	0	35	-2.0	-88.27	333.69	2.61	-85.66
CC1=CC(S(=O)(=O)[N-]NC(=O)OC(C)C)=CC(C(=O)[O-])=C1Cl	REAL300000469248	0	35	-2.0	-100.69	334.79	2.76	-97.93
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000469249	0	32	-2.0	-96.00	324.87	2.42	-93.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)OC(C)C)=C1Br	REAL300000469250	0	35	-2.0	-100.12	338.15	3.05	-97.07
CCN1C=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C1C(=O)[O-]	REAL300000469251	0	36	-2.0	-102.86	331.58	2.01	-100.85
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C(C)=C1CC(=O)[O-]	REAL300000469252	0	44	-2.0	-103.58	367.97	4.64	-98.94
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000469253	0	32	-2.0	-91.04	325.67	2.52	-88.52
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000469254	0	32	-2.0	-90.95	329.17	2.36	-88.59
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000469255	0	36	-2.0	-90.46	348.26	2.11	-88.35
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C1C(=O)[O-]	REAL300000469256	0	35	-2.0	-96.42	333.44	2.77	-93.65
CC(C)OC(=O)N[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000469257	0	41	-2.0	-100.69	353.29	3.71	-96.98
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C1C(=O)[O-]	REAL300000469258	0	36	-2.0	-104.25	343.89	2.42	-101.83
CC1=CC(S(=O)(=O)[N-]NC(=O)OC(C)C)=CC=C1C(=O)[O-]	REAL300000469259	0	35	-2.0	-91.38	319.58	2.35	-89.03
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000469260	0	37	-2.0	-96.06	344.29	3.86	-92.20
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469261	0	35	-2.0	-101.41	323.52	2.62	-98.79
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000469262	0	34	-2.0	-110.22	327.30	3.66	-106.56
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000469263	0	32	-2.0	-107.02	307.23	1.84	-105.18
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C1C(=O)[O-]	REAL300000469264	0	35	-2.0	-94.81	324.75	2.38	-92.43
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000469265	0	38	-2.0	-110.70	344.61	3.92	-106.78
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000469266	0	31	-2.0	-99.71	300.55	-0.14	-99.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)OC(C)C	REAL300000469267	0	36	-2.0	-95.20	331.77	1.61	-93.59
CC(C)OC(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000469268	0	29	-2.0	-91.39	303.71	0.78	-90.61
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000469269	0	36	-2.0	-98.69	347.36	2.35	-96.34
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000469270	0	35	-2.0	-94.23	346.90	-1.16	-95.39
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000469271	0	39	-2.0	-96.85	347.55	3.63	-93.22
CC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000469272	0	39	-2.0	-100.72	349.01	3.69	-97.03
CCC1=C(S(=O)(=O)[N-]NC(=O)OC(C)C)C=C(C(=O)[O-])O1	REAL300000469273	0	35	-2.0	-97.08	325.73	1.73	-95.35
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000469274	0	39	-2.0	-85.43	367.91	4.74	-80.69
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000469275	1	32	-2.0	-101.50	315.98	6.19	-95.31
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1SC	REAL300000469276	0	40	-2.0	-102.15	371.07	7.24	-94.91
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000469277	1	32	-2.0	-91.78	311.43	6.16	-85.62
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000469278	1	32	-2.0	-103.80	311.45	6.15	-97.65
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1SC	REAL300000469279	0	36	-2.0	-108.92	339.59	5.95	-102.97
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000469280	1	36	-2.0	-91.23	342.90	7.45	-83.78
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000469281	1	35	-2.0	-104.94	327.47	6.68	-98.26
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000469282	0	32	-2.0	-99.35	324.52	6.73	-92.62
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000469283	1	32	-2.0	-99.81	323.95	6.55	-93.26
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000469284	1	38	-2.0	-106.29	344.55	7.48	-98.81
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000469285	0	32	-2.0	-100.96	316.93	6.22	-94.74
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000469286	1	38	-2.0	-90.38	355.01	7.74	-82.64
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000469287	0	29	-2.0	-98.47	304.63	5.17	-93.30
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000469288	1	35	-2.0	-104.49	326.89	6.94	-97.55
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000469289	1	36	-2.0	-89.91	342.52	6.43	-83.48
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000469290	0	33	-2.0	-102.28	318.10	5.50	-96.78
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000469291	1	36	-2.0	-105.18	335.23	4.98	-100.20
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000469292	0	32	-2.0	-94.56	320.56	5.83	-88.73
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000469293	1	38	-2.0	-105.70	342.90	7.47	-98.23
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000469294	0	29	-2.0	-99.79	303.10	5.19	-94.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2SC)C=C1C(=O)[O-]	REAL300000469295	1	36	-2.0	-109.68	338.74	6.22	-103.46
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000469296	1	42	-2.0	-108.26	366.69	8.78	-99.48
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000469297	1	41	-2.0	-106.43	365.35	8.16	-98.27
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1SC	REAL300000469298	1	38	-2.0	-102.66	340.30	7.81	-94.85
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1SC	REAL300000469299	0	39	-2.0	-109.32	361.88	6.72	-102.60
CSC1=CC(F)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000469300	0	35	-2.0	-106.87	339.24	6.64	-100.23
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000469300	1	34	-3.0	-179.11	339.85	6.70	-172.41
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000469301	1	39	-2.0	-108.59	355.69	8.05	-100.54
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000469302	0	32	-2.0	-97.93	314.45	5.29	-92.64
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000469303	1	38	-2.0	-108.75	353.61	5.93	-102.82
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000469304	0	36	-2.0	-104.84	340.37	5.23	-99.61
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000469305	1	40	-2.0	-90.38	364.36	6.75	-83.63
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000469306	0	32	-2.0	-96.22	329.05	6.74	-89.48
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000469307	1	39	-2.0	-90.41	362.60	7.14	-83.27
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000469308	0	35	-2.0	-95.40	332.16	6.96	-88.44
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000469309	1	36	-2.0	-89.57	348.75	6.49	-83.08
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2SC)C=C1C(=O)[O-]	REAL300000469310	1	39	-2.0	-110.36	360.59	7.13	-103.23
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000469311	0	32	-2.0	-101.16	320.07	6.05	-95.11
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000469312	0	32	-2.0	-89.29	324.50	6.72	-82.57
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000469313	1	32	-2.0	-91.41	315.98	6.19	-85.22
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000469314	0	29	-2.0	-93.45	303.71	5.28	-88.17
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000469315	0	32	-2.0	-95.02	317.87	6.21	-88.81
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000469316	0	35	-2.0	-102.40	337.19	6.85	-95.55
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000469317	0	32	-2.0	-91.11	316.91	6.23	-84.88
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000469318	1	32	-2.0	-89.37	323.95	6.56	-82.81
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000469319	1	35	-2.0	-97.00	340.89	7.35	-89.65
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000469320	0	40	-2.0	-88.12	375.18	7.57	-80.55
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000469321	1	32	-2.0	-93.33	322.27	6.25	-87.08
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000469322	0	34	-2.0	-89.31	339.64	6.83	-82.48
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000469323	0	33	-2.0	-103.22	321.16	3.85	-99.37
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000469324	1	35	-2.0	-95.04	333.62	6.93	-88.11
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000469325	1	32	-2.0	-94.68	332.15	6.69	-87.99
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000469326	1	35	-2.0	-100.04	321.49	6.78	-93.26
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000469327	1	35	-2.0	-102.81	336.28	6.81	-96.00
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000469328	1	35	-2.0	-91.87	326.86	6.93	-84.94
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000469329	1	38	-2.0	-106.87	344.33	7.21	-99.66
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000469330	0	34	-2.0	-102.46	338.02	7.24	-95.22
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000469331	0	32	-2.0	-92.89	323.18	6.28	-86.61
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000469332	1	38	-2.0	-104.29	345.93	7.54	-96.75
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000469333	0	35	-2.0	-102.08	332.93	6.76	-95.32
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000469334	0	35	-2.0	-101.12	343.23	7.29	-93.83
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000469335	0	35	-2.0	-108.66	336.48	6.84	-101.82
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2SC)C=C1C(=O)[O-]	REAL300000469336	1	38	-2.0	-105.64	345.41	7.33	-98.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2SC)C=C1CC(=O)[O-]	REAL300000469337	1	39	-2.0	-106.23	361.92	6.28	-99.95
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000469338	1	35	-2.0	-93.58	337.71	7.32	-86.26
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000469339	1	35	-2.0	-101.55	342.67	7.11	-94.44
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2SC)C=C1C(=O)[O-]	REAL300000469340	0	36	-2.0	-103.50	339.48	6.37	-97.13
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000469341	1	44	-2.0	-104.05	376.60	9.02	-95.03
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000469342	1	35	-2.0	-97.31	341.31	7.12	-90.19
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000469343	1	35	-2.0	-93.39	331.52	6.79	-86.60
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000469344	1	35	-2.0	-101.99	331.40	6.97	-95.02
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000469345	0	34	-2.0	-110.58	335.18	7.99	-102.59
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000469346	0	32	-2.0	-107.92	315.09	6.17	-101.75
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000469347	1	35	-2.0	-95.67	332.61	6.73	-88.94
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000469348	1	38	-2.0	-112.01	352.49	8.28	-103.73
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000469349	0	31	-2.0	-101.62	307.66	4.27	-97.35
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1SC	REAL300000469350	0	36	-2.0	-95.70	339.65	5.95	-89.75
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000469351	0	29	-2.0	-92.09	311.55	5.12	-86.97
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000469352	1	39	-2.0	-98.03	357.57	8.03	-90.00
CSC1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000469353	1	39	-2.0	-100.86	355.53	8.02	-92.84
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2SC)C=C(C(=O)[O-])O1	REAL300000469354	0	35	-2.0	-97.60	333.56	6.14	-91.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000469355	0	42	-2.0	-99.06	375.57	1.34	-97.72
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469356	0	35	-2.0	-116.94	323.64	2.78	-114.16
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(N)=O	REAL300000469357	0	43	-2.0	-116.17	378.72	3.84	-112.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000469358	0	35	-2.0	-106.88	319.09	2.76	-104.12
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469359	0	35	-2.0	-119.96	319.10	2.75	-117.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(N)=O	REAL300000469360	0	39	-2.0	-124.21	347.25	2.55	-121.66
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000469361	0	39	-2.0	-105.31	350.56	4.05	-101.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469362	0	38	-2.0	-121.40	335.12	3.29	-118.11
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(N)=O)=C1	REAL300000469363	0	35	-2.0	-113.84	332.18	3.33	-110.51
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469364	0	35	-2.0	-115.50	331.61	3.15	-112.35
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C(N)=O)=C1	REAL300000469365	0	41	-2.0	-121.15	352.21	4.09	-117.06
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(N)=O)=C1	REAL300000469366	0	35	-2.0	-116.44	324.57	2.82	-113.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000469367	0	41	-2.0	-104.62	362.68	4.34	-100.28
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(N)=O)=C1	REAL300000469368	0	32	-2.0	-114.14	312.29	1.77	-112.37
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(N)=O)=C1	REAL300000469369	0	38	-2.0	-119.02	334.53	3.55	-115.47
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000469370	0	39	-2.0	-104.14	350.18	3.04	-101.10
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469371	0	36	-2.0	-118.31	325.74	2.11	-116.20
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C(N)=O)=C1	REAL300000469372	0	39	-2.0	-119.40	342.88	1.59	-117.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(N)=O)=C1	REAL300000469373	0	35	-2.0	-110.31	328.21	2.44	-107.87
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C(N)=O)=C1	REAL300000469374	0	41	-2.0	-121.73	354.55	4.18	-117.55
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469375	0	32	-2.0	-115.39	310.76	1.79	-113.60
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(N)=O)=CC(C(=O)[O-])=C1OC	REAL300000469376	0	43	-2.0	-120.74	377.42	2.56	-118.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000469377	0	39	-2.0	-125.80	346.39	2.82	-122.98
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(C(N)=O)=C1	REAL300000469378	0	45	-2.0	-123.63	374.34	5.38	-118.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C(N)=O)=C1	REAL300000469379	0	44	-2.0	-120.70	372.26	4.76	-115.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(N)=O	REAL300000469380	0	41	-2.0	-115.31	344.70	4.40	-110.91
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(N)=O	REAL300000469381	0	42	-2.0	-125.89	369.53	3.32	-122.57
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469382	0	37	-3.0	-199.11	347.51	3.32	-195.79
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C(N)=O)=C1	REAL300000469383	0	42	-2.0	-124.01	363.35	4.65	-119.36
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000469384	0	35	-2.0	-112.49	322.11	1.90	-110.59
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469385	0	41	-2.0	-125.22	361.28	2.53	-122.69
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(N)=O)=C1	REAL300000469386	0	39	-2.0	-122.38	348.02	1.85	-120.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C(C(N)=O)=C1	REAL300000469387	0	43	-2.0	-104.99	372.02	3.36	-101.63
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(C(N)=O)=C1	REAL300000469388	0	35	-2.0	-110.19	336.69	3.35	-106.84
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C(C(N)=O)=C1	REAL300000469389	0	39	-2.0	-102.46	366.21	3.58	-98.88
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(C(N)=O)=C1	REAL300000469390	0	42	-2.0	-104.65	370.26	3.74	-100.91
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(N)=O)=C1	REAL300000469391	0	38	-2.0	-109.77	339.81	3.58	-106.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C(N)=O)=C1	REAL300000469392	0	39	-2.0	-103.38	356.40	3.10	-100.28
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000469393	0	42	-2.0	-126.58	368.25	3.73	-122.85
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(N)=O)C=C(C(=O)[O-])S1	REAL300000469394	0	35	-2.0	-115.41	328.79	2.65	-112.76
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(N)=O)=C1	REAL300000469395	0	35	-2.0	-103.80	332.16	3.31	-100.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(N)=O)=C1	REAL300000469396	0	35	-2.0	-106.14	323.64	2.79	-103.35
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(N)=O)=C1	REAL300000469397	0	32	-2.0	-108.88	311.36	1.88	-107.00
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469398	0	35	-2.0	-110.58	325.52	2.82	-107.76
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C(N)=O)=C1	REAL300000469399	0	38	-2.0	-118.30	344.85	3.45	-114.85
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(N)=O)=C(Cl)C=C1C(=O)[O-]	REAL300000469400	0	39	-2.0	-108.61	359.40	3.37	-105.24
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(N)=O)=C1	REAL300000469401	0	35	-2.0	-106.66	324.57	2.82	-103.84
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(N)=O)=C1	REAL300000469402	0	35	-2.0	-104.28	331.61	3.16	-101.12
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C(N)=O)=C1	REAL300000469403	0	38	-2.0	-111.43	348.55	3.97	-107.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000469404	0	43	-2.0	-101.66	382.84	4.16	-97.50
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469405	0	35	-2.0	-108.39	329.92	2.85	-105.54
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469406	0	37	-2.0	-104.55	347.29	3.42	-101.13
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(N)=O)=C1	REAL300000469407	0	36	-2.0	-117.16	328.82	0.46	-116.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(N)=O)=C1	REAL300000469408	0	38	-2.0	-109.82	341.28	3.54	-106.28
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469409	0	35	-2.0	-109.90	339.81	3.28	-106.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(N)=O)=C1	REAL300000469410	0	38	-2.0	-116.82	329.13	3.40	-113.42
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469411	0	38	-2.0	-118.59	343.94	3.40	-115.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C(N)=O)=C1	REAL300000469412	0	38	-2.0	-106.38	334.51	3.54	-102.84
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469413	0	41	-2.0	-123.61	351.98	3.82	-119.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469414	0	37	-2.0	-117.45	345.68	3.85	-113.60
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(N)=O)=C1	REAL300000469415	0	35	-2.0	-108.32	330.84	2.88	-105.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C(N)=O)=C1	REAL300000469416	0	41	-2.0	-121.54	352.63	4.16	-117.38
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(N)=O)=C1	REAL300000469417	0	38	-2.0	-118.97	344.41	3.45	-115.52
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C(N)=O)=C1	REAL300000469418	0	38	-2.0	-115.90	350.89	3.89	-112.01
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C(N)=O)=C1	REAL300000469419	0	38	-2.0	-126.39	344.15	3.44	-122.95
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000469420	0	41	-2.0	-122.18	353.07	3.94	-118.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(N)=O)C=C1CC(=O)[O-]	REAL300000469421	0	42	-2.0	-123.56	369.58	2.89	-120.67
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C(N)=O)=C1	REAL300000469422	0	38	-2.0	-109.75	345.36	3.93	-105.82
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469423	0	38	-2.0	-117.62	350.32	3.71	-113.91
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000469424	0	39	-2.0	-119.69	347.13	2.97	-116.72
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C(C(N)=O)=C1	REAL300000469425	0	47	-2.0	-121.55	384.25	5.62	-115.93
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469426	0	38	-2.0	-113.43	348.97	3.72	-109.71
CC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469427	0	44	-2.0	-113.94	365.30	4.84	-109.10
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000469428	0	39	-2.0	-119.46	359.43	3.38	-116.08
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C(N)=O)=C1	REAL300000469429	0	38	-2.0	-108.70	339.17	3.40	-105.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(C(N)=O)=C1	REAL300000469430	0	40	-2.0	-110.18	362.36	4.96	-105.22
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C(N)=O)=C1	REAL300000469431	0	38	-2.0	-115.97	339.05	3.57	-112.40
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C(N)=O)=C1	REAL300000469432	0	37	-2.0	-127.31	342.84	4.61	-122.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(N)=O)=C1	REAL300000469433	0	35	-2.0	-125.32	322.74	2.78	-122.54
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469434	0	38	-2.0	-111.75	340.27	3.33	-108.42
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469435	0	41	-2.0	-128.95	360.14	4.87	-124.08
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(N)=O)=C1	REAL300000469436	0	34	-2.0	-118.14	315.32	0.88	-117.26
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1C(N)=O	REAL300000469437	0	39	-2.0	-111.03	347.31	2.55	-108.48
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(N)=O)=C1	REAL300000469438	0	32	-2.0	-106.83	319.21	1.74	-105.09
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(N)=O)=C1	REAL300000469439	0	42	-2.0	-112.94	365.23	4.64	-108.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(N)=O)=C1	REAL300000469440	0	42	-2.0	-118.00	363.19	4.61	-113.39
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000469441	0	38	-2.0	-110.91	337.37	2.72	-108.19
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000469442	1	35	-2.0	-107.99	332.23	4.67	-103.32
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000469443	1	35	-2.0	-98.07	327.68	4.64	-93.43
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000469444	0	35	-2.0	-110.70	327.68	4.64	-106.06
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000469445	0	39	-2.0	-118.04	355.82	4.44	-113.60
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000469446	0	39	-2.0	-98.02	359.13	5.93	-92.09
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000469447	1	38	-2.0	-111.76	343.70	5.17	-106.59
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000469448	0	35	-2.0	-107.93	340.76	5.20	-102.73
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000469449	0	35	-2.0	-106.40	340.20	5.03	-101.37
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000469450	0	41	-2.0	-116.04	360.35	5.98	-110.06
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000469451	0	35	-2.0	-109.52	333.15	4.70	-104.82
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000469452	0	41	-2.0	-97.66	371.27	6.22	-91.44
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000469453	0	32	-2.0	-104.96	320.87	3.66	-101.30
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000469454	0	38	-2.0	-113.94	343.11	5.42	-108.52
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000469455	1	39	-2.0	-96.61	358.75	4.92	-91.69
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000469456	0	36	-2.0	-108.80	334.33	3.99	-104.81
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000469457	1	39	-2.0	-114.77	351.47	3.48	-111.29
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000469458	0	35	-2.0	-100.94	336.79	4.33	-96.61
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000469459	1	41	-2.0	-115.24	359.14	5.95	-109.29
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000469460	0	32	-2.0	-106.37	319.34	3.68	-102.69
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000469461	1	39	-2.0	-116.48	354.97	4.70	-111.78
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000469462	0	44	-2.0	-116.13	381.59	6.65	-109.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC([N+](=O)[O-])=CC=C1NC	REAL300000469463	0	41	-2.0	-112.82	355.98	6.38	-106.44
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000469464	0	42	-2.0	-116.28	378.11	5.21	-111.07
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000469465	0	37	-3.0	-185.22	356.09	5.21	-180.01
CNC1=CC=C([N+](=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000469465	1	38	-2.0	-117.48	355.23	5.20	-112.28
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000469466	0	42	-2.0	-117.97	371.93	6.54	-111.43
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000469467	0	35	-2.0	-106.04	330.69	3.79	-102.25
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000469468	0	39	-2.0	-108.80	356.60	3.73	-105.07
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000469469	1	42	-2.0	-97.05	378.84	5.63	-91.42
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000469470	0	38	-2.0	-103.95	348.39	5.45	-98.50
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000469471	0	39	-2.0	-96.10	364.99	4.99	-91.11
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NC)C=C1C(=O)[O-]	REAL300000469472	1	42	-2.0	-117.09	376.84	5.63	-111.46
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000469473	0	35	-2.0	-109.85	337.37	4.52	-105.33
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000469474	0	35	-2.0	-95.44	340.74	5.21	-90.23
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000469475	0	35	-2.0	-97.47	332.21	4.67	-92.80
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000469476	0	32	-2.0	-99.85	319.94	3.76	-96.09
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000469477	0	35	-2.0	-101.44	334.10	4.71	-96.73
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000469478	0	38	-2.0	-110.81	353.43	5.35	-105.46
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000469479	0	35	-2.0	-97.17	333.15	4.72	-92.45
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000469480	0	35	-2.0	-95.54	340.18	5.04	-90.50
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000469481	0	38	-2.0	-105.80	357.13	5.84	-99.96
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000469482	0	35	-2.0	-99.58	338.51	4.74	-94.84
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000469483	0	37	-2.0	-95.56	355.88	5.30	-90.26
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000469484	0	36	-2.0	-113.59	337.40	2.34	-111.25
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000469485	0	38	-2.0	-103.23	349.87	5.42	-97.81
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000469486	0	38	-2.0	-105.00	337.72	5.27	-99.73
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000469487	1	38	-2.0	-109.27	352.52	5.28	-103.99
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000469488	1	38	-2.0	-98.71	343.10	5.41	-93.30
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000469489	1	41	-2.0	-113.60	361.15	5.72	-107.88
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000469490	0	37	-2.0	-108.66	354.26	5.72	-102.94
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000469491	0	35	-2.0	-100.55	339.42	4.78	-95.77
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000469492	1	41	-2.0	-109.50	361.21	6.05	-103.45
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000469493	0	38	-2.0	-111.83	353.00	5.33	-106.50
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000469494	0	38	-2.0	-109.66	359.47	5.79	-103.87
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000469495	0	38	-2.0	-113.14	352.72	5.32	-107.82
CCC1=CC=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NC)C=C1C(=O)[O-]	REAL300000469496	1	41	-2.0	-112.53	362.01	5.83	-106.70
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000469497	1	42	-2.0	-114.08	378.16	4.77	-109.31
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000469498	0	38	-2.0	-98.79	353.94	5.82	-92.97
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000469499	0	38	-2.0	-108.23	358.92	5.60	-102.63
CCN1C=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NC)C=C1C(=O)[O-]	REAL300000469500	0	39	-2.0	-110.04	355.71	4.85	-105.19
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000469501	0	38	-2.0	-105.12	361.46	5.70	-99.42
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000469502	1	38	-2.0	-98.20	343.69	5.18	-93.02
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000469503	1	38	-2.0	-111.43	347.22	5.48	-105.95
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000469504	0	37	-2.0	-115.50	351.42	6.48	-109.02
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000469505	0	35	-2.0	-112.39	331.31	4.66	-107.73
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000469506	0	38	-2.0	-103.34	352.64	5.31	-98.03
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000469507	0	34	-2.0	-110.46	324.66	2.71	-107.75
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000469508	0	39	-2.0	-102.32	355.89	4.45	-97.87
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000469509	0	32	-2.0	-99.15	327.79	3.61	-95.54
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000469510	0	42	-2.0	-103.47	372.28	6.49	-96.98
CNC1=CC=C([N+](=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000469511	0	42	-2.0	-99.22	372.77	6.52	-92.70
CCC1=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC=C2NC)C=C(C(=O)[O-])O1	REAL300000469512	0	38	-2.0	-106.18	349.81	4.63	-101.55
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(Cl)=C1C	REAL300000469526	1	31	-2.0	-102.57	310.52	5.72	-96.85
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(C)=C2Cl)=C1	REAL300000469531	1	34	-2.0	-98.75	326.46	6.39	-92.36
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(Cl)=C1C	REAL300000469540	0	37	-2.0	-107.01	345.16	7.19	-99.82
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(Cl)=C1C	REAL300000469554	1	31	-2.0	-97.50	309.59	5.84	-91.66
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(Cl)=C1C	REAL300000469563	0	35	-2.0	-105.83	321.46	5.26	-100.57
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(Cl)=C1C	REAL300000469571	1	34	-2.0	-97.07	329.06	6.83	-90.24
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(Cl)=C1C	REAL300000469584	1	39	-2.0	-99.75	360.58	8.91	-90.84
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(Cl)=C1C	REAL300000469586	1	36	-2.0	-115.47	341.05	8.55	-106.92
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(Cl)=C1C	REAL300000469590	1	33	-2.0	-106.03	313.54	4.82	-101.21
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(Cl)=C1C	REAL300000469592	1	31	-2.0	-96.01	317.43	5.69	-90.32
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)=CC=C21	REAL300000469596	1	40	-2.0	-89.14	365.21	2.18	-86.96
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000469597	1	33	-2.0	-104.96	313.28	3.63	-101.33
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N=NN2C	REAL300000469598	0	41	-2.0	-105.00	368.36	4.70	-100.30
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300000469599	1	33	-2.0	-95.51	308.73	3.60	-91.91
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000469600	1	33	-2.0	-107.13	308.74	3.59	-103.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N=NN2C	REAL300000469601	0	37	-2.0	-111.18	336.89	3.39	-107.79
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C21	REAL300000469602	1	37	-2.0	-94.90	340.20	4.89	-90.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C1C(=O)[O-]	REAL300000469603	1	36	-2.0	-108.08	324.76	4.13	-103.95
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C21	REAL300000469604	0	33	-2.0	-101.97	321.81	4.17	-97.80
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000469605	1	33	-2.0	-103.12	321.26	3.99	-99.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)=C1C	REAL300000469606	1	39	-2.0	-108.85	341.42	4.95	-103.90
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C21	REAL300000469607	0	33	-2.0	-103.35	314.22	3.66	-99.69
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300000469608	1	39	-2.0	-94.46	352.32	5.19	-89.27
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000469609	0	30	-2.0	-101.68	301.92	2.61	-99.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N=NN2C	REAL300000469610	1	36	-2.0	-106.84	324.18	4.39	-102.45
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=CC=C21	REAL300000469611	1	37	-2.0	-93.66	339.82	3.88	-89.78
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C1C(=O)[O-]	REAL300000469612	0	34	-2.0	-105.73	315.38	2.95	-102.78
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N=NN2C	REAL300000469613	1	37	-2.0	-107.50	332.52	2.43	-105.07
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)=C1	REAL300000469614	0	33	-2.0	-98.07	317.85	3.28	-94.79
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C1C(=O)[O-]	REAL300000469615	1	39	-2.0	-108.22	339.81	4.94	-103.28
CN1N=NC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000469616	0	30	-2.0	-103.06	300.39	2.64	-100.42
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)=CC(C(=O)[O-])=C1OC	REAL300000469617	1	41	-2.0	-107.45	367.05	3.41	-104.04
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C1C(=O)[O-]	REAL300000469618	1	37	-2.0	-112.98	336.03	3.66	-109.32
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)=CC=C21	REAL300000469619	1	43	-2.0	-110.35	364.00	6.22	-104.13
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N=NN2C	REAL300000469620	1	42	-2.0	-108.71	362.64	5.61	-103.10
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N=NN2C	REAL300000469621	1	39	-2.0	-105.09	338.89	5.32	-99.77
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N=NN2C	REAL300000469622	0	40	-2.0	-110.22	359.17	4.16	-106.06
CN1N=NC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C21	REAL300000469623	0	36	-2.0	-112.93	339.65	4.16	-108.77
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C21	REAL300000469623	1	35	-3.0	-182.01	337.16	4.16	-177.85
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C21	REAL300000469624	1	40	-2.0	-110.72	352.99	5.50	-105.22
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C(C(=O)[O-])O1	REAL300000469625	0	33	-2.0	-100.90	311.78	2.74	-98.16
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)=CC=C21	REAL300000469626	1	39	-2.0	-111.94	350.91	3.37	-108.57
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)=C1	REAL300000469627	0	37	-2.0	-108.65	337.73	2.68	-105.97
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)=CC=C21	REAL300000469628	1	41	-2.0	-93.99	361.66	4.20	-89.79
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=CC=C21	REAL300000469629	0	33	-2.0	-99.08	326.34	4.19	-94.89
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000469630	1	37	-2.0	-92.37	355.85	4.42	-87.95
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)=CC=C1OCC(=O)[O-]	REAL300000469631	1	40	-2.0	-94.11	359.90	4.59	-89.52
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N=NN2C	REAL300000469632	1	36	-2.0	-98.05	329.45	4.42	-93.63
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=CC=C21	REAL300000469633	1	37	-2.0	-93.43	346.05	3.94	-89.49
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C1C(=O)[O-]	REAL300000469634	1	40	-2.0	-113.63	357.89	4.57	-109.06
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C(C(=O)[O-])S1	REAL300000469635	0	33	-2.0	-103.57	318.43	3.49	-100.08
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C21	REAL300000469636	0	33	-2.0	-93.25	321.79	4.16	-89.09
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000469637	1	33	-2.0	-95.23	313.27	3.64	-91.59
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000469638	0	30	-2.0	-96.93	301.00	2.73	-94.20
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000469639	1	33	-2.0	-98.31	315.15	3.66	-94.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)=C1F	REAL300000469640	0	36	-2.0	-104.70	334.50	4.30	-100.40
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)=C(Cl)C=C1C(=O)[O-]	REAL300000469641	0	37	-2.0	-97.98	349.05	4.22	-93.76
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300000469642	0	33	-2.0	-94.96	314.21	3.67	-91.29
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000469643	1	33	-2.0	-93.12	321.24	4.00	-89.12
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N=NN2C	REAL300000469644	1	36	-2.0	-99.57	338.18	4.81	-94.76
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)=CC=C21	REAL300000469645	1	41	-2.0	-91.87	372.49	5.01	-86.86
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000469646	1	33	-2.0	-96.87	319.56	3.69	-93.18
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC=C21	REAL300000469647	0	35	-2.0	-92.76	336.95	4.27	-88.49
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C21	REAL300000469648	0	34	-2.0	-105.42	318.46	1.31	-104.11
CN1N=NC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C21	REAL300000469648	1	34	-2.0	-106.80	317.68	2.09	-104.71
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C21	REAL300000469649	1	36	-2.0	-100.20	330.92	4.38	-95.82
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000469650	1	33	-2.0	-98.17	329.45	4.13	-94.04
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N=NN2C	REAL300000469651	1	36	-2.0	-104.36	318.78	4.24	-100.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)=CC(C(=O)[O-])=C1F	REAL300000469652	1	36	-2.0	-106.26	333.59	4.25	-102.01
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N=NN2C	REAL300000469653	1	36	-2.0	-95.57	324.15	4.38	-91.19
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)=CC(C(=O)[O-])=C1C	REAL300000469654	1	39	-2.0	-111.22	346.24	4.80	-106.42
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=CC=C21	REAL300000469655	0	35	-2.0	-106.34	335.30	4.69	-101.65
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C21	REAL300000469656	0	33	-2.0	-95.61	320.50	3.72	-91.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C(C)=C1C(=O)[O-]	REAL300000469657	1	39	-2.0	-108.73	342.13	5.00	-103.73
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C1C(=O)[O-]	REAL300000469658	0	36	-2.0	-105.58	334.06	4.29	-101.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)=C1Cl	REAL300000469659	0	36	-2.0	-103.60	340.50	4.73	-98.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)=C1	REAL300000469660	0	36	-2.0	-112.93	333.78	4.29	-108.64
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C1C(=O)[O-]	REAL300000469661	1	39	-2.0	-108.82	342.71	4.78	-104.04
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C1CC(=O)[O-]	REAL300000469662	1	40	-2.0	-110.71	359.22	3.73	-106.98
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N=NN2C	REAL300000469663	1	36	-2.0	-97.59	335.01	4.78	-92.81
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)=CC(C(=O)[O-])=C1Cl	REAL300000469664	1	36	-2.0	-104.86	339.98	4.55	-100.31
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C1C(=O)[O-]	REAL300000469665	0	37	-2.0	-106.97	336.76	3.82	-103.15
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C(C)=C1CC(=O)[O-]	REAL300000469666	1	45	-2.0	-108.88	373.89	6.47	-102.41
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C1C(=O)[O-]	REAL300000469667	1	36	-2.0	-101.78	342.48	4.66	-97.12
CN1N=NC2=CC([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)=CC=C21	REAL300000469668	0	42	-2.0	-103.65	358.18	5.73	-97.92
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C1C(=O)[O-]	REAL300000469669	0	37	-2.0	-107.52	349.07	4.24	-103.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)=CC=C1C(=O)[O-]	REAL300000469670	1	36	-2.0	-95.56	324.75	4.14	-91.42
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])=CC=C21	REAL300000469671	0	38	-2.0	-101.12	352.01	5.79	-95.33
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N=NN2C	REAL300000469672	1	36	-2.0	-104.92	328.28	4.44	-100.48
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=CC=C21	REAL300000469673	0	35	-2.0	-115.54	332.48	5.45	-110.09
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000469674	0	33	-2.0	-112.25	312.40	3.63	-108.62
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C1C(=O)[O-]	REAL300000469675	1	36	-2.0	-100.08	333.68	4.27	-95.81
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C21	REAL300000469676	1	39	-2.0	-115.13	349.78	5.73	-109.40
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000469677	0	32	-2.0	-102.95	305.73	1.66	-101.29
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)N=NN2C	REAL300000469678	0	37	-2.0	-99.32	336.95	3.40	-95.92
CN1N=NC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C21	REAL300000469679	0	30	-2.0	-95.17	308.89	2.57	-92.60
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C21	REAL300000469680	1	40	-2.0	-101.21	354.87	5.48	-95.73
CN1N=NC2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C21	REAL300000469681	1	40	-2.0	-106.14	354.19	5.48	-100.66
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)N=NN3C)C=C(C(=O)[O-])O1	REAL300000469682	0	36	-2.0	-100.47	330.87	3.59	-96.88
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000469683	0	43	-2.0	-92.87	377.95	0.17	-92.70
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000469684	0	36	-2.0	-108.92	326.00	1.62	-107.30
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1C	REAL300000469685	0	44	-2.0	-108.65	381.09	2.69	-105.96
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000469686	0	36	-2.0	-99.79	321.47	1.60	-98.19
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000469687	0	36	-2.0	-109.75	326.30	1.72	-108.03
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1C	REAL300000469688	0	40	-2.0	-115.40	349.62	1.40	-114.00
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000469689	0	40	-2.0	-98.82	352.94	2.88	-95.94
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C=C1C(=O)[O-]	REAL300000469690	0	39	-2.0	-113.19	337.44	2.15	-111.04
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000469691	0	36	-2.0	-106.07	334.54	2.15	-103.92
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000469692	0	36	-2.0	-107.15	333.98	1.98	-105.17
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000469693	0	36	-2.0	-101.94	347.05	2.52	-99.42
CC1OCCC1C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000469693	1	35	-3.0	-199.64	343.87	1.75	-197.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2C)=C1C	REAL300000469694	0	42	-2.0	-112.80	353.89	2.89	-109.91
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000469695	0	36	-2.0	-107.54	326.95	1.65	-105.89
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000469696	0	42	-2.0	-97.66	365.06	3.18	-94.48
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000469697	0	33	-2.0	-106.43	314.66	0.61	-105.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1C	REAL300000469698	0	39	-2.0	-110.89	336.91	2.36	-108.53
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000469699	0	40	-2.0	-97.63	352.56	1.87	-95.76
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000469700	0	37	-2.0	-108.68	332.94	1.07	-107.61
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1C	REAL300000469701	0	40	-2.0	-111.07	345.67	0.39	-110.68
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2CCOC2C)=C1	REAL300000469702	0	36	-2.0	-102.29	330.63	1.27	-101.02
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C=C1C(=O)[O-]	REAL300000469703	0	42	-2.0	-112.04	352.97	2.89	-109.15
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000469704	0	33	-2.0	-105.81	317.95	0.76	-105.05
COC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2C)=CC(C(=O)[O-])=C1OC	REAL300000469705	0	44	-2.0	-110.32	384.61	1.53	-108.79
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C=C1C(=O)[O-]	REAL300000469706	0	40	-2.0	-116.99	348.79	1.65	-115.34
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000469707	0	46	-2.0	-114.80	376.73	4.10	-110.70
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1C	REAL300000469708	0	45	-2.0	-112.83	375.37	3.56	-109.27
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1C	REAL300000469709	0	42	-2.0	-108.47	351.61	3.10	-105.37
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1C	REAL300000469710	0	43	-2.0	-117.70	371.90	2.16	-115.54
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000469711	0	38	-3.0	-184.95	354.71	2.28	-182.67
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000469712	0	43	-2.0	-115.12	365.74	3.47	-111.65
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C=C(C(=O)[O-])O1	REAL300000469713	0	36	-2.0	-105.15	324.50	0.73	-104.42
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000469714	0	42	-2.0	-117.07	363.65	1.36	-115.71
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)=C1	REAL300000469715	0	40	-2.0	-114.48	350.40	0.69	-113.79
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000469716	0	44	-2.0	-97.65	374.39	2.19	-95.46
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000469717	0	36	-2.0	-101.20	349.18	2.44	-98.76
CC1OCCC1C(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000469717	1	35	-3.0	-200.18	345.99	1.67	-198.51
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000469718	0	36	-2.0	-103.19	339.07	2.17	-101.02
CC1OCCC1C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000469718	1	35	-3.0	-199.35	335.89	1.39	-197.96
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000469719	0	40	-2.0	-96.34	368.57	2.41	-93.93
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2C)=CC=C1OCC(=O)[O-]	REAL300000469720	0	43	-2.0	-98.10	372.65	2.58	-95.52
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1C	REAL300000469721	0	39	-2.0	-102.22	342.20	2.39	-99.83
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000469722	0	40	-2.0	-97.47	358.76	1.94	-95.53
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C=C1C(=O)[O-]	REAL300000469723	0	43	-2.0	-118.64	370.61	2.56	-116.08
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C=C(C(=O)[O-])S1	REAL300000469724	0	36	-2.0	-107.77	330.07	1.49	-106.28
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000469725	0	36	-2.0	-100.35	349.72	2.59	-97.76
CC1OCCC1C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000469725	1	35	-3.0	-198.08	346.53	1.82	-196.26
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000469726	0	36	-2.0	-97.38	334.54	2.13	-95.25
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000469727	0	36	-2.0	-99.60	325.99	1.63	-97.97
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000469728	0	33	-2.0	-101.15	313.74	0.72	-100.43
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000469729	0	36	-2.0	-103.12	327.90	1.65	-101.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2C)=C1F	REAL300000469730	0	39	-2.0	-109.02	347.26	2.29	-106.73
COC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2C)=C(Cl)C=C1C(=O)[O-]	REAL300000469731	0	40	-2.0	-102.14	361.78	2.20	-99.94
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000469732	0	36	-2.0	-99.14	326.96	1.66	-97.48
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000469733	0	36	-2.0	-97.46	333.96	1.99	-95.47
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1C	REAL300000469734	0	39	-2.0	-103.72	350.94	2.77	-100.95
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000469735	0	44	-2.0	-95.47	385.22	3.00	-92.47
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000469736	0	36	-2.0	-100.97	332.32	1.68	-99.29
CC1OCCC1C(=O)[N-][N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000469736	1	35	-3.0	-197.03	329.14	0.92	-196.11
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000469737	0	38	-2.0	-95.10	354.49	2.39	-92.71
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000469738	0	37	-2.0	-108.79	331.18	-0.68	-109.47
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000469738	1	36	-3.0	-206.86	327.62	0.19	-206.67
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000469739	0	39	-2.0	-101.69	343.66	2.37	-99.32
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000469740	0	36	-2.0	-102.28	342.21	2.12	-100.16
CC1OCCC1C(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000469740	1	35	-3.0	-199.55	339.02	1.35	-198.20
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1CCOC1C	REAL300000469741	0	39	-2.0	-109.01	331.23	2.26	-106.75
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2C)=CC(C(=O)[O-])=C1F	REAL300000469742	0	39	-2.0	-110.39	346.33	2.24	-108.15
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCOC1C	REAL300000469743	0	39	-2.0	-99.73	336.89	2.35	-97.38
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2C)=CC(C(=O)[O-])=C1C	REAL300000469744	0	42	-2.0	-115.15	354.28	2.68	-112.47
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000469745	0	38	-2.0	-110.03	347.83	2.79	-107.24
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000469746	0	36	-2.0	-99.89	333.24	1.71	-98.18
CC1OCCC1C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000469746	1	35	-3.0	-199.39	330.06	0.95	-198.44
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C(C)=C1C(=O)[O-]	REAL300000469747	0	42	-2.0	-113.16	355.28	3.08	-110.08
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C=C1C(=O)[O-]	REAL300000469748	0	39	-2.0	-108.60	342.91	2.19	-106.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2C)=C1Cl	REAL300000469749	0	39	-2.0	-107.83	353.24	2.71	-105.12
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)=C1	REAL300000469750	0	39	-2.0	-115.70	351.31	2.41	-113.29
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C=C1C(=O)[O-]	REAL300000469751	0	42	-2.0	-112.84	355.60	2.79	-110.05
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C=C1CC(=O)[O-]	REAL300000469752	0	43	-2.0	-116.45	371.93	1.72	-114.73
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1C	REAL300000469753	0	39	-2.0	-102.16	347.72	2.70	-99.46
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000469754	0	39	-2.0	-96.54	351.58	2.40	-94.14
CC1OCCC1C(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000469754	1	38	-3.0	-189.37	353.23	1.75	-187.62
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2C)=CC(C(=O)[O-])=C1Cl	REAL300000469755	0	39	-2.0	-108.99	352.72	2.56	-106.43
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C=C1C(=O)[O-]	REAL300000469756	0	40	-2.0	-112.05	349.51	1.81	-110.24
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C(C)=C1CC(=O)[O-]	REAL300000469757	0	48	-2.0	-109.94	386.67	4.45	-105.49
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000469758	0	36	-2.0	-98.74	347.09	2.14	-96.60
CC1OCCC1C(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000469758	1	35	-3.0	-195.94	343.88	1.38	-194.56
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C=C1C(=O)[O-]	REAL300000469759	0	39	-2.0	-106.08	355.43	2.66	-103.42
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000469760	0	45	-2.0	-107.48	371.33	3.46	-104.02
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C=C1C(=O)[O-]	REAL300000469761	0	40	-2.0	-111.66	361.80	2.20	-109.46
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOC2C)=CC=C1C(=O)[O-]	REAL300000469762	0	39	-2.0	-99.90	337.19	2.20	-97.70
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000469763	0	41	-2.0	-105.68	364.70	3.65	-102.03
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOC1C	REAL300000469764	0	39	-2.0	-108.58	341.42	2.39	-106.19
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000469765	0	38	-2.0	-119.54	345.21	3.44	-116.10
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000469766	0	36	-2.0	-116.71	325.09	1.61	-115.10
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C=C1C(=O)[O-]	REAL300000469767	0	39	-2.0	-104.34	346.61	2.28	-102.06
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000469768	0	42	-2.0	-119.35	362.57	3.72	-115.63
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000469769	0	35	-2.0	-108.87	317.71	-0.28	-109.15
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCOC1C	REAL300000469770	0	40	-2.0	-103.65	349.69	1.40	-102.25
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000469771	0	33	-2.0	-99.57	321.61	0.56	-99.01
CC1OCCC1C(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000469771	1	32	-3.0	-193.90	318.43	-0.21	-194.11
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000469772	0	43	-2.0	-105.30	367.61	3.48	-101.82
CC1OCCC1C(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000469773	0	43	-2.0	-106.42	366.95	3.48	-102.94
CCC1=C(S(=O)(=O)[N-]NC(=O)C2CCOC2C)C=C(C(=O)[O-])O1	REAL300000469774	0	39	-2.0	-104.59	343.59	1.52	-103.07
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000469775	1	40	-2.0	-123.21	361.57	7.24	-115.97
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000469776	1	37	-2.0	-125.45	346.13	6.47	-118.98
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1C(=O)[O-]	REAL300000469779	0	31	-2.0	-129.83	299.85	6.09	-123.74
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000469780	0	34	-2.0	-90.02	316.42	5.46	-84.56
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1C(=O)[O-]	REAL300000469781	0	30	-2.0	-111.61	303.21	4.45	-107.16
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C1C(=O)[O-]	REAL300000469782	1	32	-2.0	-117.41	312.15	6.21	-111.20
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=C1C(=O)[O-]	REAL300000469783	1	32	-2.0	-108.81	307.67	5.81	-103.00
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1C(=O)[O-]	REAL300000469784	0	31	-2.0	-119.10	313.58	6.40	-112.70
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=C1C(=O)[O-]	REAL300000469785	0	32	-2.0	-130.30	309.48	6.10	-124.20
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1C(=O)[O-]	REAL300000469786	0	31	-2.0	-121.24	307.84	6.51	-114.73
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000469789	0	34	-2.0	-95.47	315.93	6.34	-89.13
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000469791	0	35	-2.0	-119.24	340.65	7.88	-111.36
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1C(=O)[O-]	REAL300000469792	1	40	-2.0	-122.79	354.16	5.76	-117.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000469793	1	36	-2.0	-120.08	335.62	7.01	-113.07
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=C1C(=O)[O-]	REAL300000469794	0	28	-2.0	-114.10	304.96	5.54	-108.56
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1C(=O)[O-]	REAL300000469797	1	34	-2.0	-109.11	323.08	6.80	-102.31
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000469799	0	34	-2.0	-100.84	319.29	6.30	-94.54
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000469800	0	39	-2.0	-129.95	349.09	4.89	-125.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1OC	REAL300000469801	1	39	-2.0	-120.66	350.06	5.02	-115.64
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469803	0	33	-2.0	-107.90	299.25	4.72	-103.18
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1C(=O)[O-]	REAL300000469804	1	31	-2.0	-112.17	323.25	6.79	-105.38
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000469805	0	34	-2.0	-116.38	319.24	6.29	-110.09
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000469805	1	33	-3.0	-197.74	319.80	6.37	-191.37
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1C(=O)[O-]	REAL300000469806	1	31	-2.0	-110.89	304.04	5.94	-104.95
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1C(=O)[O-]	REAL300000469807	0	31	-2.0	-116.86	321.21	6.90	-109.96
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000469808	1	34	-2.0	-117.68	330.07	6.82	-110.86
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000469809	1	34	-2.0	-123.36	312.74	6.48	-116.88
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000469811	0	34	-2.0	-124.84	317.22	7.19	-117.65
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000469812	1	31	-2.0	-118.24	308.07	6.34	-111.90
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000469813	1	36	-2.0	-116.28	324.81	6.19	-110.09
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000469814	1	37	-2.0	-122.76	328.25	7.24	-115.52
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1C(=O)[O-]	REAL300000469816	1	31	-2.0	-111.21	313.93	6.38	-104.83
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000469817	1	36	-2.0	-132.18	331.84	6.20	-125.98
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000469819	1	40	-2.0	-112.09	360.95	7.39	-104.70
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1C(=O)[O-]	REAL300000469820	0	31	-2.0	-119.98	319.67	6.84	-113.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000469821	1	37	-2.0	-118.84	346.85	6.56	-112.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469825	0	37	-3.0	-199.51	347.95	6.17	-193.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469825	1	38	-2.0	-98.09	349.15	6.17	-91.92
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000469826	0	38	-2.0	-101.29	350.74	7.59	-93.70
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000469826	1	37	-3.0	-175.80	344.24	7.65	-168.15
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1C(=O)[O-]	REAL300000469827	0	28	-2.0	-113.87	300.33	5.44	-108.43
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469829	0	35	-2.0	-128.84	319.61	5.61	-123.23
CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000469830	0	37	-2.0	-112.52	327.41	6.84	-105.68
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469831	0	42	-2.0	-130.69	375.65	4.49	-126.20
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1C(=O)[O-]	REAL300000469832	0	31	-2.0	-117.47	309.41	6.00	-111.47
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000469833	1	31	-2.0	-112.73	324.81	6.85	-105.88
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1C(=O)[O-]	REAL300000469834	0	31	-2.0	-122.60	304.48	6.38	-116.22
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1C(=O)[O-]	REAL300000469835	1	31	-2.0	-118.17	312.63	6.44	-111.73
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000469836	1	33	-2.0	-118.37	319.56	6.49	-111.88
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469837	1	36	-2.0	-115.37	335.06	7.25	-108.12
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000469838	1	33	-2.0	-112.12	332.01	6.87	-105.25
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CS2)=C1C(=O)[O-]	REAL300000469839	0	28	-2.0	-120.02	283.28	4.82	-115.20
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000469841	0	33	-2.0	-135.83	309.87	7.18	-128.65
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C(=O)[O-]	REAL300000469842	0	33	-3.0	-188.74	332.88	6.95	-181.79
CC1=C(F)C=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C(=O)[O-]	REAL300000469842	1	34	-2.0	-96.06	331.41	6.46	-89.60
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000469843	0	34	-2.0	-92.90	323.90	6.70	-86.20
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000469843	1	33	-3.0	-193.20	332.31	6.77	-186.43
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1C(=O)[O-]	REAL300000469846	0	31	-2.0	-118.11	303.25	5.95	-112.16
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1C(=O)[O-]	REAL300000469847	1	31	-2.0	-118.38	297.74	5.88	-112.50
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1C(=O)[O-]	REAL300000469848	1	31	-2.0	-111.99	304.17	5.95	-106.04
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1C(=O)[O-]	REAL300000469850	1	37	-2.0	-122.93	335.83	4.97	-117.96
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469852	1	46	-2.0	-124.08	383.04	8.90	-115.18
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1C(=O)[O-]	REAL300000469853	1	31	-2.0	-110.85	301.07	6.32	-104.53
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1C(=O)[O-]	REAL300000469854	1	31	-2.0	-110.93	305.63	6.42	-104.51
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000469855	0	33	-2.0	-104.83	312.56	6.47	-98.36
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000469856	1	31	-2.0	-122.29	291.34	5.82	-116.47
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000469857	1	38	-2.0	-122.88	340.51	4.69	-118.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])S1	REAL300000469858	0	31	-2.0	-121.33	305.17	5.61	-115.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])=C1C	REAL300000469859	0	40	-2.0	-96.67	352.67	7.68	-88.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1C	REAL300000469859	1	39	-3.0	-195.58	352.92	7.70	-187.88
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469860	0	35	-2.0	-121.38	336.34	6.13	-115.25
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000469861	0	33	-2.0	-125.80	329.15	7.73	-118.07
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C(=O)[O-]	REAL300000469862	0	33	-3.0	-191.86	325.29	6.44	-185.42
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1C(=O)[O-]	REAL300000469863	0	28	-2.0	-111.91	314.19	5.97	-105.94
CC1=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=CC=C1F	REAL300000469865	1	36	-2.0	-118.83	329.62	7.07	-111.76
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1C(=O)[O-]	REAL300000469866	0	31	-2.0	-120.90	303.25	5.95	-114.95
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000469867	0	40	-2.0	-97.53	362.94	7.89	-89.64
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000469867	1	39	-3.0	-174.76	356.35	7.94	-166.82
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000469868	1	41	-2.0	-122.84	360.76	5.51	-117.33
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1C(=O)[O-]	REAL300000469869	1	35	-2.0	-116.26	327.10	2.63	-113.63
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000469870	1	35	-2.0	-115.99	324.54	6.82	-109.17
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1C(=O)[O-]	REAL300000469871	1	36	-2.0	-117.71	333.37	4.27	-113.44
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=C1C(=O)[O-]	REAL300000469872	1	39	-2.0	-118.70	351.17	4.99	-113.71
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1OCC	REAL300000469873	1	45	-2.0	-121.16	393.77	6.86	-114.30
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C(=O)[O-]	REAL300000469875	0	30	-3.0	-190.45	312.99	5.39	-185.06
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1C(=O)[O-]	REAL300000469876	1	34	-2.0	-115.88	323.08	3.32	-112.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469878	0	37	-2.0	-95.56	335.67	7.15	-88.41
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469878	1	36	-3.0	-193.29	335.25	7.16	-186.13
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469879	0	37	-2.0	-120.31	328.96	4.89	-115.42
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1C	REAL300000469880	1	39	-2.0	-115.61	352.77	7.81	-107.80
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000469881	1	37	-2.0	-112.43	339.11	6.46	-105.97
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000469882	1	38	-2.0	-116.75	340.78	4.08	-112.67
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)=C1C(=O)[O-]	REAL300000469883	1	36	-2.0	-118.95	338.52	0.76	-118.19
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)=C1C(=O)[O-]	REAL300000469884	1	42	-2.0	-125.46	362.13	6.92	-118.54
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=C1C(=O)[O-]	REAL300000469885	1	35	-2.0	-116.47	318.82	2.58	-113.89
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C)=C3C(=O)[O-])=CC=C21	REAL300000469886	1	42	-2.0	-131.47	370.60	6.87	-124.60
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1C(=O)[O-]	REAL300000469888	1	37	-2.0	-126.34	337.28	8.09	-118.25
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=CS1	REAL300000469889	0	34	-2.0	-131.66	330.93	6.12	-125.54
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000469890	1	41	-2.0	-116.87	360.89	6.31	-110.56
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000469891	0	38	-2.0	-98.96	350.42	6.58	-92.38
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=C1C(=O)[O-]	REAL300000469893	1	42	-2.0	-125.02	375.57	9.94	-115.08
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1C(=O)[O-]	REAL300000469896	0	31	-2.0	-127.50	296.84	5.88	-121.62
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)=C1C(=O)[O-]	REAL300000469897	0	36	-2.0	-117.26	346.48	4.83	-112.43
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C1C(=O)[O-]	REAL300000469898	1	36	-2.0	-117.43	333.73	6.31	-111.12
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C)=C3C(=O)[O-])=C2N=C1	REAL300000469899	0	39	-2.0	-140.55	352.69	7.09	-133.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(Cl)=C1	REAL300000469901	0	34	-2.0	-122.77	325.89	7.05	-115.72
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1C(=O)[O-]	REAL300000469902	0	35	-2.0	-124.70	336.11	6.09	-118.61
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)=C1C(=O)[O-]	REAL300000469904	1	36	-2.0	-127.27	345.52	0.78	-126.49
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)=C1C(=O)[O-]	REAL300000469905	1	39	-2.0	-118.15	354.18	6.25	-111.90
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000469906	0	37	-2.0	-131.44	341.89	6.51	-124.93
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)=C1C(=O)[O-]	REAL300000469907	1	37	-2.0	-115.52	347.89	2.81	-112.71
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)=C1C(=O)[O-]	REAL300000469908	1	38	-2.0	-115.26	357.18	5.08	-110.18
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=C1C(=O)[O-]	REAL300000469909	1	36	-2.0	-114.32	339.02	7.31	-107.01
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)=C1C(=O)[O-]	REAL300000469910	1	37	-2.0	-117.62	345.45	5.77	-111.85
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000469911	1	35	-2.0	-116.05	337.33	5.61	-110.44
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=C1C(=O)[O-]	REAL300000469912	1	37	-2.0	-124.48	345.02	3.32	-121.16
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1C(=O)[O-]	REAL300000469914	0	31	-2.0	-113.96	310.87	6.45	-107.51
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=C1C(=O)[O-]	REAL300000469915	0	43	-2.0	-128.61	377.27	5.15	-123.46
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(F)=C1	REAL300000469916	0	38	-2.0	-136.96	352.88	4.77	-132.19
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=C1C(=O)[O-]	REAL300000469917	1	37	-2.0	-132.35	352.04	3.34	-129.01
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)=C1C(=O)[O-]	REAL300000469918	1	40	-2.0	-124.20	365.56	8.52	-115.68
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1OC	REAL300000469920	0	39	-2.0	-122.97	355.56	5.09	-117.88
CC1=C(F)C=CC(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000469922	0	35	-2.0	-109.39	319.39	5.70	-103.69
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000469922	1	34	-3.0	-195.43	326.46	5.72	-189.71
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=C1C(=O)[O-]	REAL300000469923	0	31	-2.0	-128.77	308.80	5.38	-123.39
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=C1C(=O)[O-]	REAL300000469924	0	36	-2.0	-119.40	333.41	1.96	-117.44
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469925	0	38	-2.0	-97.04	344.28	5.18	-91.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1F	REAL300000469928	1	35	-2.0	-117.75	327.05	5.19	-112.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C(N)=O	REAL300000469931	1	38	-2.0	-115.97	341.95	3.28	-112.69
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C(N)=O	REAL300000469932	1	39	-2.0	-117.66	353.15	3.19	-114.47
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C)N=C2)=C1C(=O)[O-]	REAL300000469933	0	31	-2.0	-118.02	295.89	3.52	-114.50
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469934	1	36	-2.0	-108.45	335.06	7.25	-101.20
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CN1C	REAL300000469936	0	39	-2.0	-120.40	355.31	3.43	-116.97
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469937	1	34	-2.0	-117.09	323.56	7.10	-109.99
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(F)C(C)=C3C(=O)[O-])C=N2)C=C1	REAL300000469939	0	41	-2.0	-120.49	373.32	7.61	-112.88
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)=C1C(=O)[O-]	REAL300000469941	1	42	-2.0	-120.25	366.83	5.95	-114.30
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000469943	0	33	-3.0	-185.80	328.94	6.06	-179.74
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=C1C(=O)[O-]	REAL300000469944	1	32	-2.0	-108.68	329.01	6.33	-102.35
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=C1C(=O)[O-]	REAL300000469945	1	32	-2.0	-110.30	327.56	6.62	-103.68
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000469946	0	40	-2.0	-95.39	351.62	7.68	-87.71
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C1C(=O)[O-]	REAL300000469947	1	35	-2.0	-126.43	329.70	6.19	-120.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C2=CC=CN=C12	REAL300000469948	1	40	-2.0	-124.68	356.65	5.61	-119.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1Cl	REAL300000469949	1	34	-2.0	-119.35	326.80	6.92	-112.43
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1C(=O)[O-]	REAL300000469950	0	31	-2.0	-124.44	313.01	6.38	-118.06
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469952	0	37	-2.0	-115.06	347.82	6.28	-108.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C2=CC=CC=C12	REAL300000469953	1	41	-2.0	-129.12	360.71	7.48	-121.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1F	REAL300000469954	1	34	-2.0	-119.14	318.08	6.53	-112.61
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469955	1	34	-2.0	-114.52	323.56	7.09	-107.43
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000469956	0	34	-2.0	-127.83	318.26	6.55	-121.28
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469957	1	34	-2.0	-116.95	313.24	6.64	-110.31
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469959	0	36	-2.0	-136.66	324.73	8.11	-128.55
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)=C1C(=O)[O-]	REAL300000469960	0	39	-2.0	-123.62	356.63	5.06	-118.56
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)=C1C(=O)[O-]	REAL300000469961	1	41	-2.0	-135.21	363.08	5.62	-129.59
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000469963	0	39	-2.0	-140.37	352.61	7.10	-133.27
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000469966	0	30	-3.0	-192.30	311.45	5.42	-186.88
CC1=C(F)C=CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000469966	1	31	-2.0	-112.00	312.26	5.35	-106.65
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1Cl	REAL300000469967	0	34	-2.0	-123.36	333.67	7.71	-115.65
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=C1C(=O)[O-]	REAL300000469968	0	33	-2.0	-108.93	332.70	7.05	-101.88
COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000469969	0	38	-2.0	-118.22	338.65	6.37	-111.85
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300000469970	1	39	-2.0	-120.06	334.45	7.17	-112.89
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=C1C(=O)[O-]	REAL300000469971	0	28	-2.0	-117.94	303.65	5.37	-112.57
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000469973	1	44	-2.0	-125.28	388.03	5.58	-119.70
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000469974	0	33	-2.0	-127.88	318.83	7.30	-120.58
CC1=C(F)C=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C(=O)[O-]	REAL300000469975	0	43	-2.0	-101.43	372.06	7.92	-93.51
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C(=O)[O-]	REAL300000469975	1	42	-3.0	-197.02	373.71	8.38	-188.64
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1C(=O)[O-]	REAL300000469976	1	41	-2.0	-119.24	358.51	9.21	-110.03
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000469977	0	33	-2.0	-132.80	324.74	7.18	-125.62
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000469978	1	42	-2.0	-131.81	382.09	5.48	-126.33
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)=C1C(=O)[O-]	REAL300000469981	1	42	-2.0	-132.69	379.39	5.79	-126.90
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000469982	0	35	-2.0	-121.67	322.53	4.18	-117.49
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000469982	1	35	-2.0	-122.43	320.18	5.03	-117.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469983	0	40	-2.0	-99.69	347.58	7.41	-92.28
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469983	1	39	-3.0	-189.52	349.53	8.08	-181.44
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1C(=O)[O-]	REAL300000469984	0	34	-2.0	-126.66	330.86	6.72	-119.94
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469985	0	40	-3.0	-207.33	370.24	6.94	-200.39
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469985	1	41	-2.0	-101.03	371.44	6.92	-94.11
CC1=C(F)C=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000469986	0	36	-3.0	-173.80	339.23	6.84	-166.96
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000469986	1	35	-4.0	-288.80	348.22	6.94	-281.86
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])S1	REAL300000469987	0	34	-2.0	-114.51	339.23	5.58	-108.93
CC1=C(F)C=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C(=O)[O-]	REAL300000469988	0	41	-2.0	-101.38	361.84	7.79	-93.59
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C(=O)[O-]	REAL300000469988	1	40	-3.0	-199.55	364.05	8.27	-191.28
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C	REAL300000469989	0	39	-2.0	-135.88	351.53	8.46	-127.42
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C1C(=O)[O-]	REAL300000469990	1	35	-2.0	-113.44	329.15	6.19	-107.25
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1C(=O)[O-]	REAL300000469991	0	31	-2.0	-114.43	299.24	6.15	-108.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000469992	0	33	-3.0	-185.48	322.82	5.52	-179.96
CC1=C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000469992	1	34	-2.0	-95.98	321.66	5.01	-90.97
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1C(=O)[O-]	REAL300000469993	0	34	-2.0	-142.74	319.54	5.01	-137.73
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000469994	0	37	-2.0	-126.49	351.61	6.52	-119.97
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000469995	0	41	-2.0	-131.49	362.87	7.20	-124.29
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000469996	1	34	-2.0	-110.60	335.65	6.88	-103.72
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000469998	0	33	-2.0	-134.53	325.16	7.98	-126.55
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1C(=O)[O-]	REAL300000469999	1	36	-2.0	-131.90	339.67	5.99	-125.91
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1C(=O)[O-]	REAL300000470000	0	30	-2.0	-112.28	307.69	4.62	-107.66
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000470002	0	33	-2.0	-138.76	317.36	7.44	-131.32
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470003	0	37	-3.0	-201.74	348.80	5.46	-196.28
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470003	1	38	-2.0	-107.66	346.77	4.95	-102.71
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000470004	0	38	-2.0	-120.92	351.92	6.94	-113.98
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000470005	0	41	-2.0	-119.34	377.32	7.38	-111.96
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1C(=O)[O-]	REAL300000470006	0	30	-2.0	-112.03	292.77	4.09	-107.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C(F)(F)F	REAL300000470007	1	37	-2.0	-118.64	345.76	7.34	-111.30
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)=C1C(=O)[O-]	REAL300000470008	1	41	-2.0	-118.40	371.59	6.74	-111.66
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470009	0	34	-2.0	-120.21	339.40	5.47	-114.74
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470010	1	39	-2.0	-112.21	349.41	8.19	-104.02
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=C1C(=O)[O-]	REAL300000470011	1	36	-2.0	-123.86	327.50	6.24	-117.62
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1C(=O)[O-]	REAL300000470012	0	30	-2.0	-113.64	316.50	4.95	-108.69
CC1=CC(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300000470013	0	41	-2.0	-95.48	362.56	7.30	-88.18
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C)C=N2)=C1C(=O)[O-]	REAL300000470014	0	31	-2.0	-129.64	295.36	4.91	-124.73
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C(C)=C(F)C=C3)C=C12	REAL300000470016	1	39	-2.0	-116.32	357.67	5.54	-110.78
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C(C)=C(F)C=C3)C=C12	REAL300000470017	0	35	-2.0	-111.28	331.10	2.80	-108.48
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=C1C(=O)[O-]	REAL300000470018	0	31	-2.0	-109.90	307.59	4.30	-105.60
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1C(=O)[O-]	REAL300000470020	0	31	-2.0	-125.86	303.12	5.94	-119.92
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(F)=C1	REAL300000470021	0	35	-2.0	-120.81	322.32	5.38	-115.43
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000470022	0	33	-2.0	-128.10	329.16	7.76	-120.34
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470023	0	37	-2.0	-93.49	337.92	6.74	-86.75
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470023	1	36	-3.0	-183.88	340.53	7.19	-176.69
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1C(=O)[O-]	REAL300000470024	0	37	-2.0	-128.52	334.47	5.46	-123.06
CC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=C(F)C=C2)=CN1C	REAL300000470025	0	34	-2.0	-131.84	314.88	4.71	-127.13
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1C(=O)[O-]	REAL300000470026	0	35	-2.0	-123.87	329.36	5.87	-118.00
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470027	1	40	-2.0	-125.16	368.01	7.40	-117.76
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=N1	REAL300000470028	0	34	-2.0	-118.39	317.43	4.38	-114.01
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000470029	1	43	-2.0	-111.75	382.45	8.18	-103.57
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470030	1	38	-2.0	-123.94	346.41	5.54	-118.40
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=C1C(=O)[O-]	REAL300000470031	0	34	-2.0	-119.78	335.90	6.89	-112.89
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1C(=O)[O-]	REAL300000470032	0	31	-2.0	-121.56	323.42	5.92	-115.64
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000470033	0	41	-2.0	-101.80	360.57	7.28	-94.52
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1C(=O)[O-]	REAL300000470034	1	36	-2.0	-121.18	327.34	5.12	-116.06
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1F	REAL300000470035	1	40	-2.0	-113.67	372.53	7.42	-106.25
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1C(=O)[O-]	REAL300000470036	0	31	-2.0	-116.62	310.88	6.45	-110.17
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C)=C3C(=O)[O-])C=C2)=CO1	REAL300000470037	1	40	-2.0	-121.15	360.72	4.86	-116.29
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=C1C(=O)[O-]	REAL300000470040	1	35	-2.0	-114.20	335.63	2.67	-111.53
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470041	0	31	-2.0	-116.12	291.73	2.86	-113.26
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470042	1	35	-2.0	-124.41	320.84	5.11	-119.30
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470043	1	34	-2.0	-121.66	306.84	6.58	-115.08
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])S1	REAL300000470044	0	37	-2.0	-125.64	352.67	4.05	-121.59
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])S1	REAL300000470044	1	36	-3.0	-192.93	349.66	2.92	-190.01
CC1=C(F)C=CC([N-]S(=O)(=O)C2=NN(C)C=C2)=C1C(=O)[O-]	REAL300000470045	0	31	-2.0	-128.05	296.19	3.35	-124.70
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=NN2C)=C1C(=O)[O-]	REAL300000470046	0	31	-2.0	-113.65	291.59	3.46	-110.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(F)=C1	REAL300000470052	0	34	-2.0	-127.39	318.26	6.55	-120.84
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])O1	REAL300000470054	0	34	-2.0	-115.80	330.89	4.60	-111.20
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1C(=O)[O-]	REAL300000470055	0	36	-2.0	-140.01	331.28	6.45	-133.56
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=C1C(=O)[O-]	REAL300000470056	0	37	-2.0	-128.37	357.77	6.49	-121.88
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1C(=O)[O-]	REAL300000470057	0	31	-2.0	-112.11	309.52	6.00	-106.11
CC1=C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000470058	0	34	-2.0	-97.70	327.79	5.77	-91.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000470058	1	33	-3.0	-188.80	329.51	6.26	-182.54
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1C	REAL300000470059	1	40	-2.0	-125.84	356.18	7.10	-118.74
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470060	0	35	-2.0	-122.88	333.95	5.68	-117.20
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CN=C1Cl	REAL300000470061	0	33	-2.0	-112.86	321.99	5.03	-107.83
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000470063	1	40	-2.0	-122.31	361.30	7.24	-115.07
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C)=C3C(=O)[O-])C=C21	REAL300000470065	1	42	-2.0	-145.71	370.16	6.84	-138.87
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470066	0	43	-2.0	-117.21	362.44	6.44	-110.77
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])SC=C1	REAL300000470067	0	31	-2.0	-121.37	299.57	5.64	-115.73
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1C	REAL300000470068	0	40	-2.0	-116.73	342.84	5.70	-111.03
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C	REAL300000470069	1	40	-2.0	-117.14	362.16	7.01	-110.13
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000470070	0	36	-2.0	-110.02	335.63	7.00	-103.02
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=C1C(=O)[O-]	REAL300000470073	1	39	-2.0	-134.09	350.93	4.27	-129.82
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470074	1	35	-2.0	-115.68	327.62	6.98	-108.70
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1F	REAL300000470075	1	38	-2.0	-131.77	352.51	4.83	-126.94
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000470076	0	36	-2.0	-119.43	341.10	7.08	-112.35
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(Cl)=C3OC(C)CC3=C2)=C1C(=O)[O-]	REAL300000470077	1	39	-2.0	-118.66	365.13	6.95	-111.71
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1C	REAL300000470078	1	41	-2.0	-143.84	366.22	5.60	-138.24
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470079	0	35	-2.0	-123.36	328.99	6.28	-117.08
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470080	1	35	-2.0	-112.54	327.60	6.96	-105.58
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=C1C(=O)[O-]	REAL300000470082	1	40	-2.0	-124.48	353.02	5.87	-118.61
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1OC	REAL300000470083	1	41	-2.0	-119.86	373.42	6.52	-113.34
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=C1C(=O)[O-]	REAL300000470084	0	32	-2.0	-116.54	318.92	6.01	-110.53
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C)=C3C(=O)[O-])C=C2O1	REAL300000470085	1	36	-2.0	-120.23	334.99	3.47	-116.76
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=C1C(=O)[O-]	REAL300000470086	0	37	-2.0	-119.05	336.11	4.90	-114.15
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1C(=O)[O-]	REAL300000470087	1	36	-2.0	-123.44	332.31	6.20	-117.24
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=N1	REAL300000470088	0	37	-2.0	-122.71	350.72	4.59	-118.12
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=C1C(=O)[O-]	REAL300000470089	0	37	-2.0	-133.41	335.32	4.25	-129.16
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000470090	0	34	-2.0	-123.69	334.18	7.46	-116.23
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=C(F)C=C2)C=NN1C1=CC=CC=N1	REAL300000470093	0	40	-2.0	-124.39	363.55	7.19	-117.20
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1C(=O)[O-]	REAL300000470095	1	31	-2.0	-105.44	310.34	6.00	-99.44
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=C1C(=O)[O-]	REAL300000470096	1	42	-2.0	-115.04	366.94	7.64	-107.40
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CN1C	REAL300000470098	0	38	-2.0	-124.71	352.50	5.92	-118.79
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C(=O)[O-]	REAL300000470100	0	33	-3.0	-179.73	332.86	6.94	-172.79
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C(=O)[O-]	REAL300000470100	1	34	-2.0	-92.26	331.40	6.46	-85.80
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C(=O)[O-]	REAL300000470101	0	34	-2.0	-95.97	315.95	6.35	-89.62
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C(=O)[O-]	REAL300000470101	1	33	-3.0	-180.68	324.31	6.41	-174.27
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)=C1C(=O)[O-]	REAL300000470102	1	39	-2.0	-131.32	357.21	5.19	-126.13
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=C1C(=O)[O-]	REAL300000470103	0	38	-2.0	-124.16	356.31	7.10	-117.06
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000470104	1	41	-2.0	-126.42	351.67	6.07	-120.35
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C(=O)[O-]	REAL300000470106	0	30	-3.0	-184.12	312.07	5.50	-178.62
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=C1C(=O)[O-]	REAL300000470107	0	40	-2.0	-133.98	356.06	6.77	-127.21
CC1=C(F)C=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470108	0	34	-2.0	-90.09	317.58	6.35	-83.74
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470108	1	33	-3.0	-187.57	326.22	6.44	-181.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1F	REAL300000470109	0	36	-3.0	-194.11	345.56	7.07	-187.04
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)=C1C(=O)[O-]	REAL300000470110	1	45	-2.0	-114.59	377.07	7.83	-106.76
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CN1	REAL300000470111	0	35	-2.0	-121.35	334.74	4.15	-117.20
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(=O)[O-]	REAL300000470112	0	33	-3.0	-183.11	325.27	6.45	-176.66
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(=O)[O-]	REAL300000470112	1	34	-2.0	-104.27	323.38	5.95	-98.32
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C(=O)[O-]	REAL300000470113	0	34	-2.0	-93.48	323.93	6.70	-86.78
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C(=O)[O-]	REAL300000470113	1	33	-3.0	-179.29	332.29	6.78	-172.51
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470114	1	34	-2.0	-118.49	312.14	6.61	-111.88
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1C	REAL300000470115	1	40	-2.0	-119.34	362.18	7.00	-112.34
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CS1	REAL300000470116	0	34	-2.0	-120.28	338.61	5.49	-114.79
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1F	REAL300000470117	1	37	-2.0	-113.27	350.67	6.49	-106.78
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])S1	REAL300000470118	0	33	-2.0	-118.84	316.57	4.39	-114.45
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=C1C(=O)[O-]	REAL300000470119	1	35	-2.0	-121.40	326.59	6.97	-114.43
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1[O-]	REAL300000470120	1	39	-2.0	-97.90	345.56	2.65	-95.25
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470123	1	37	-2.0	-116.11	345.57	7.58	-108.53
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470124	1	37	-2.0	-123.66	334.23	7.25	-116.41
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=C1C(=O)[O-]	REAL300000470125	0	34	-2.0	-119.24	346.98	7.75	-111.49
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470126	1	34	-2.0	-118.75	319.18	6.55	-112.20
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470128	0	37	-2.0	-117.31	349.23	5.27	-112.04
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=C1C(=O)[O-]	REAL300000470129	1	37	-2.0	-116.92	342.74	4.87	-112.05
CC1=C(F)C=CC(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470130	0	34	-2.0	-102.91	322.25	6.40	-96.51
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470130	1	33	-3.0	-184.33	330.62	6.47	-177.86
CC1=C(F)C=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470131	0	36	-2.0	-97.16	339.36	6.96	-90.20
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470131	1	35	-3.0	-181.32	348.01	7.04	-174.28
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=C1C(=O)[O-]	REAL300000470132	0	34	-2.0	-124.43	344.68	7.69	-116.74
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470133	0	41	-2.0	-129.95	374.28	6.27	-123.68
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470134	1	43	-2.0	-124.04	379.24	7.79	-116.25
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C(F)C=C1F	REAL300000470136	0	34	-2.0	-118.61	323.54	6.58	-112.03
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000470137	0	37	-2.0	-126.71	336.15	8.86	-117.85
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000470138	1	37	-2.0	-132.15	332.39	8.13	-124.02
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1C(=O)[O-]	REAL300000470139	0	33	-2.0	-120.06	323.35	5.29	-114.77
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C(=O)[O-]	REAL300000470140	0	34	-3.0	-189.40	329.52	4.09	-185.31
CC1=C(F)C=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C(=O)[O-]	REAL300000470140	1	34	-3.0	-186.52	327.16	4.97	-181.55
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1C(=O)[O-]	REAL300000470141	1	41	-2.0	-126.80	346.66	8.44	-118.36
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000470142	0	37	-2.0	-98.38	341.54	7.08	-91.30
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C(=O)[O-]	REAL300000470142	1	36	-3.0	-179.87	334.96	7.14	-172.73
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])O1	REAL300000470143	0	37	-2.0	-116.18	352.75	5.53	-110.65
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470144	0	33	-2.0	-110.10	325.98	6.56	-103.54
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470145	0	36	-2.0	-129.83	347.18	6.87	-122.96
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)=C1C(=O)[O-]	REAL300000470146	1	43	-2.0	-121.22	382.05	7.35	-113.87
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)=C1C(=O)[O-]	REAL300000470147	0	34	-2.0	-132.45	334.04	6.52	-125.93
COC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])SC=C1	REAL300000470148	0	32	-2.0	-129.00	313.52	4.09	-124.91
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=C(F)C=C2)OC2=CC=C(F)C=C12	REAL300000470149	0	37	-2.0	-124.83	348.09	6.92	-117.91
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1C(=O)[O-]	REAL300000470150	0	34	-2.0	-125.68	321.11	6.21	-119.47
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(F)C(C)=C3C(=O)[O-])C=CC=C2C=C1	REAL300000470151	0	39	-2.0	-142.31	352.86	7.05	-135.26
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)=C1C(=O)[O-]	REAL300000470152	1	42	-2.0	-116.92	374.64	5.32	-111.60
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=C1C(=O)[O-]	REAL300000470153	1	37	-2.0	-122.62	346.75	8.55	-114.07
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=C(F)C=C2)SC2=CC=CC(F)=C12	REAL300000470154	0	37	-2.0	-126.35	348.84	8.03	-118.32
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1F	REAL300000470155	0	36	-2.0	-118.83	345.36	7.19	-111.64
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470156	0	33	-2.0	-127.00	324.59	4.57	-122.43
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(F)C(C)=C3C(=O)[O-])C=NC2=C1Cl	REAL300000470158	0	36	-2.0	-111.17	352.33	5.78	-105.39
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=C1C(=O)[O-]	REAL300000470159	0	31	-2.0	-110.94	306.33	4.76	-106.18
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=C1C(=O)[O-]	REAL300000470160	0	31	-2.0	-124.69	311.53	4.65	-120.04
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470161	1	39	-2.0	-125.81	350.34	4.42	-121.39
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1C(=O)[O-]	REAL300000470162	0	32	-2.0	-128.49	307.19	4.55	-123.94
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=C1C(=O)[O-]	REAL300000470163	0	32	-2.0	-111.13	313.57	3.64	-107.49
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])S1	REAL300000470164	0	30	-2.0	-117.61	299.88	3.64	-113.97
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470165	1	36	-2.0	-107.77	339.56	7.27	-100.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470166	0	37	-2.0	-117.54	330.24	7.01	-110.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470166	1	36	-3.0	-199.33	329.87	7.00	-192.33
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=C1C(=O)[O-]	REAL300000470168	1	38	-2.0	-140.76	355.95	3.68	-137.08
CC1=CC(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000470169	0	37	-2.0	-96.34	336.23	6.96	-89.38
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470170	0	37	-2.0	-99.35	335.64	7.14	-92.21
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)=C1C(=O)[O-]	REAL300000470171	0	32	-2.0	-113.29	316.20	6.09	-107.20
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C(C)N1	REAL300000470172	0	44	-2.0	-121.32	387.25	6.49	-114.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1F	REAL300000470173	0	34	-2.0	-121.13	323.54	6.59	-114.54
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000470174	0	37	-2.0	-109.82	346.88	6.56	-103.26
CC1=CC(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000470175	0	40	-2.0	-113.73	343.39	7.33	-106.40
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1C(=O)[O-]	REAL300000470176	1	37	-2.0	-132.87	349.09	8.63	-124.24
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470177	0	35	-3.0	-193.63	346.35	7.47	-186.16
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470177	1	36	-2.0	-116.23	337.98	7.38	-108.85
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1C(=O)[O-]	REAL300000470178	0	34	-2.0	-119.22	336.68	7.31	-111.91
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C(=O)[O-]	REAL300000470181	0	33	-3.0	-183.80	331.54	6.50	-177.30
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300000470182	1	36	-2.0	-110.91	344.38	7.14	-103.77
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1C(=O)[O-]	REAL300000470183	0	30	-2.0	-113.78	303.31	5.24	-108.54
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=C1C(=O)[O-]	REAL300000470184	0	37	-2.0	-129.43	336.78	6.20	-123.23
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=N1	REAL300000470185	0	36	-2.0	-112.50	342.09	4.64	-107.86
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1C(=O)[O-]	REAL300000470186	0	30	-2.0	-109.25	316.79	5.00	-104.25
CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000470187	0	40	-2.0	-122.63	354.34	7.75	-114.88
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000470188	0	36	-3.0	-193.73	341.34	6.98	-186.75
CC1=CC(F)=C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000470188	1	37	-2.0	-108.43	343.00	6.59	-101.84
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470189	0	36	-3.0	-209.99	344.85	7.07	-202.92
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1C(=O)[O-]	REAL300000470190	0	31	-2.0	-108.49	318.58	6.30	-102.19
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470191	1	39	-2.0	-132.71	354.44	7.08	-125.63
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=N1	REAL300000470192	0	38	-2.0	-116.50	351.10	3.43	-113.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000470193	0	36	-2.0	-128.85	341.66	6.64	-122.21
CCC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000470194	0	40	-2.0	-95.47	344.86	7.47	-88.00
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1C(=O)[O-]	REAL300000470195	0	42	-2.0	-118.76	368.50	4.36	-114.40
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1C#N	REAL300000470198	0	35	-2.0	-131.90	328.61	6.61	-125.29
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470199	0	37	-2.0	-89.20	337.83	5.86	-83.34
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=C1C(=O)[O-]	REAL300000470200	0	40	-2.0	-122.36	364.34	7.46	-114.90
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470201	0	37	-2.0	-132.85	338.84	6.55	-126.30
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1C(=O)[O-]	REAL300000470202	0	39	-2.0	-116.85	349.39	3.57	-113.28
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1F	REAL300000470204	0	34	-2.0	-128.93	317.16	6.53	-122.40
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=N1	REAL300000470205	1	37	-2.0	-114.89	340.39	3.44	-111.45
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1C(=O)[O-]	REAL300000470206	0	38	-2.0	-137.25	337.29	5.84	-131.41
COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000470207	0	41	-2.0	-119.64	361.94	6.44	-113.20
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000470208	1	38	-2.0	-117.48	339.41	5.53	-111.95
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470209	0	36	-2.0	-121.60	330.62	2.80	-118.80
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1Cl	REAL300000470210	0	34	-2.0	-123.98	323.21	6.97	-117.01
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C(C)O1	REAL300000470212	0	34	-2.0	-118.64	314.30	5.39	-113.25
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=C1C(=O)[O-]	REAL300000470213	0	37	-2.0	-128.65	337.60	3.48	-125.17
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470215	1	40	-2.0	-117.83	374.42	7.47	-110.36
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470216	1	38	-2.0	-121.52	337.95	5.84	-115.68
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000470217	0	40	-2.0	-112.99	368.35	6.21	-106.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])O1	REAL300000470219	0	31	-2.0	-121.75	295.94	4.63	-117.12
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470220	0	34	-2.0	-122.70	323.56	6.17	-116.53
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1C(=O)[O-]	REAL300000470221	1	34	-2.0	-118.76	317.40	4.48	-114.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000470222	0	39	-2.0	-135.48	337.94	7.55	-127.93
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1C(=O)[O-]	REAL300000470223	0	37	-2.0	-125.94	340.62	7.83	-118.11
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1C(=O)[O-]	REAL300000470224	0	33	-2.0	-106.89	324.07	6.51	-100.38
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000470225	1	31	-2.0	-112.32	314.50	6.40	-105.92
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C(C)O1	REAL300000470226	0	37	-2.0	-113.61	349.18	5.37	-108.24
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1C(=O)[O-]	REAL300000470227	0	30	-2.0	-112.23	303.12	4.51	-107.72
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])N=C1C	REAL300000470228	0	37	-2.0	-132.25	336.96	5.61	-126.64
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470229	0	34	-2.0	-123.17	325.89	7.05	-116.12
CCN1C=C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000470230	0	38	-2.0	-97.98	340.78	6.58	-91.40
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000470230	1	37	-3.0	-197.48	347.77	6.59	-190.89
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470231	0	34	-2.0	-120.09	331.23	4.56	-115.53
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470232	0	43	-2.0	-122.24	370.83	6.37	-115.87
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CN1C	REAL300000470233	0	41	-2.0	-124.29	374.37	6.85	-117.44
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470234	1	39	-2.0	-118.45	351.05	7.75	-110.70
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1C(=O)[O-]	REAL300000470235	0	31	-2.0	-126.14	307.40	6.61	-119.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(Cl)=N1	REAL300000470236	0	33	-2.0	-121.30	321.24	5.14	-116.16
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470237	0	36	-2.0	-119.24	340.39	6.00	-113.24
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1Cl	REAL300000470238	1	35	-2.0	-118.13	346.54	7.29	-110.84
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])S1	REAL300000470239	0	33	-2.0	-117.35	321.35	4.40	-112.95
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C)=C3C(=O)[O-])C=C12	REAL300000470240	0	38	-2.0	-110.61	352.59	3.53	-107.08
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])S1	REAL300000470241	0	33	-2.0	-115.65	329.48	6.15	-109.50
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CN=C1Cl	REAL300000470243	0	34	-2.0	-110.82	332.19	3.77	-107.05
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(F)C(C)=C3C(=O)[O-])=CC=C21	REAL300000470244	1	40	-2.0	-117.72	367.26	6.78	-110.94
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1C(=O)[O-]	REAL300000470245	0	33	-2.0	-110.04	326.08	5.05	-104.99
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470246	1	37	-2.0	-118.23	352.55	6.54	-111.69
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=C1C(=O)[O-]	REAL300000470247	0	34	-2.0	-114.88	329.69	3.03	-111.85
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470248	0	46	-2.0	-117.21	377.14	6.81	-110.40
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=C1C(=O)[O-]	REAL300000470250	0	32	-2.0	-112.41	326.51	6.51	-105.90
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1C(=O)[O-]	REAL300000470251	0	34	-2.0	-132.28	319.27	6.13	-126.15
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470252	0	36	-2.0	-117.88	341.32	4.68	-113.20
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1C(=O)[O-]	REAL300000470253	0	28	-2.0	-115.63	295.73	4.54	-111.09
CC1=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300000470254	0	40	-2.0	-132.90	364.65	4.93	-127.97
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000470255	1	39	-2.0	-116.75	351.13	7.77	-108.98
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1C(=O)[O-]	REAL300000470256	0	31	-2.0	-118.10	312.41	6.22	-111.88
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470260	1	43	-2.0	-122.73	383.43	8.17	-114.56
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1C(=O)[O-]	REAL300000470261	0	31	-2.0	-113.82	326.52	6.93	-106.89
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470262	0	31	-2.0	-114.66	320.34	6.04	-108.62
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(OC)=C1	REAL300000470263	0	41	-2.0	-123.17	374.34	6.27	-116.90
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1C(=O)[O-]	REAL300000470264	1	34	-2.0	-128.02	325.51	6.75	-121.27
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1C(=O)[O-]	REAL300000470265	0	34	-2.0	-117.19	335.58	6.88	-110.31
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1C(=O)[O-]	REAL300000470266	0	34	-2.0	-115.95	330.42	4.67	-111.28
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470267	1	35	-2.0	-127.93	327.43	6.88	-121.05
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=C1C(=O)[O-]	REAL300000470268	1	34	-2.0	-119.79	337.93	2.92	-116.87
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000470270	0	39	-2.0	-116.90	360.80	7.11	-109.79
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(C)=CS1	REAL300000470271	0	37	-2.0	-132.29	346.57	6.99	-125.30
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1F	REAL300000470272	1	35	-2.0	-114.04	327.05	5.19	-108.85
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1C(=O)[O-]	REAL300000470273	0	30	-2.0	-128.97	304.04	6.22	-122.75
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=NN2C)=C1C(=O)[O-]	REAL300000470274	0	30	-2.0	-108.00	284.76	2.28	-105.72
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=C1C(=O)[O-]	REAL300000470275	1	36	-2.0	-116.24	335.71	4.94	-111.30
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470276	0	30	-2.0	-111.17	312.51	5.58	-105.59
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000470278	1	39	-2.0	-118.07	351.29	4.02	-114.05
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1C(=O)[O-]	REAL300000470279	0	35	-2.0	-127.03	319.48	5.25	-121.78
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=C1C(=O)[O-]	REAL300000470280	0	32	-2.0	-117.49	328.46	6.32	-111.17
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1C(=O)[O-]	REAL300000470281	0	34	-2.0	-116.68	335.30	4.88	-111.80
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470282	1	37	-2.0	-117.90	321.17	7.52	-110.38
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1C(=O)[O-]	REAL300000470284	0	35	-2.0	-137.30	329.73	5.89	-131.41
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470285	0	44	-2.0	-116.97	374.51	7.25	-109.72
CC1=C2C=CC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C(C)=C(F)C=C3)C2=NC=C1	REAL300000470286	0	39	-2.0	-140.28	349.23	6.99	-133.29
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)=C1C(=O)[O-]	REAL300000470288	1	35	-2.0	-124.88	342.60	3.11	-121.77
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1C(=O)[O-]	REAL300000470289	0	32	-2.0	-129.38	316.12	4.12	-125.26
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470290	0	34	-2.0	-118.63	315.94	3.28	-115.35
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1OC	REAL300000470291	1	41	-2.0	-117.64	373.41	6.53	-111.11
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-])OCO2	REAL300000470293	1	37	-2.0	-117.32	332.84	5.24	-112.08
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470295	0	37	-2.0	-117.55	341.78	7.09	-110.46
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)=C1C(=O)[O-]	REAL300000470296	1	41	-2.0	-117.68	355.02	5.63	-112.05
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=C1C(=O)[O-]	REAL300000470297	0	37	-2.0	-128.42	352.56	7.37	-121.05
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])S1	REAL300000470299	0	34	-2.0	-125.05	336.32	3.30	-121.75
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])S1	REAL300000470299	1	33	-3.0	-191.77	333.00	2.18	-189.59
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1F	REAL300000470300	1	38	-2.0	-120.93	352.52	4.83	-116.10
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1C(=O)[O-]	REAL300000470301	1	35	-2.0	-117.17	336.80	5.46	-111.71
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=C1C(=O)[O-]	REAL300000470302	1	34	-2.0	-110.03	335.66	6.88	-103.15
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)=C1C(=O)[O-]	REAL300000470303	0	36	-2.0	-119.98	348.14	1.43	-118.55
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=C1C(=O)[O-]	REAL300000470304	1	35	-2.0	-127.31	318.44	7.11	-120.20
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=C1C(=O)[O-]	REAL300000470305	1	35	-2.0	-123.72	333.06	7.02	-116.70
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1C(=O)[O-]	REAL300000470306	0	31	-2.0	-114.85	321.20	6.89	-107.96
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(N)=NO1	REAL300000470308	0	32	-2.0	-107.67	291.86	3.17	-104.50
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470309	0	35	-2.0	-123.96	336.34	6.13	-117.83
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000470310	0	32	-2.0	-115.82	318.84	4.59	-111.23
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470313	1	38	-2.0	-123.14	336.31	5.88	-117.26
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=C1C(=O)[O-]	REAL300000470316	0	29	-2.0	-110.18	303.84	5.37	-104.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=N1	REAL300000470317	0	33	-2.0	-119.00	307.95	4.64	-114.36
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1C(=O)[O-]	REAL300000470318	0	36	-2.0	-122.84	332.53	6.19	-116.65
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(F)=C1	REAL300000470319	0	37	-2.0	-121.52	351.60	6.54	-114.98
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1F	REAL300000470320	0	37	-2.0	-115.06	350.65	6.50	-108.56
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470321	0	39	-2.0	-129.68	367.49	7.66	-122.02
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1C#N	REAL300000470322	1	35	-2.0	-113.18	331.33	6.71	-106.47
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1C(=O)[O-]	REAL300000470323	0	30	-2.0	-106.39	309.08	4.49	-101.90
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(F)=C1	REAL300000470325	0	35	-2.0	-124.73	326.33	5.18	-119.55
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1C(=O)[O-]	REAL300000470326	1	37	-2.0	-116.91	345.31	7.58	-109.33
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1C(=O)[O-]	REAL300000470328	1	34	-2.0	-115.75	316.51	6.67	-109.08
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1C(=O)[O-]	REAL300000470329	1	41	-2.0	-128.09	365.53	9.23	-118.86
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])N(C)N=C1	REAL300000470331	0	34	-2.0	-114.79	308.21	4.28	-110.51
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470332	0	40	-2.0	-125.76	373.47	7.45	-118.31
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=C1C(=O)[O-]	REAL300000470334	0	29	-2.0	-112.59	295.37	4.35	-108.24
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CSC=C2)=C1C(=O)[O-]	REAL300000470335	0	28	-2.0	-117.67	282.46	4.72	-112.95
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470336	0	42	-2.0	-131.94	374.68	5.33	-126.61
CC1=CC(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000470337	0	37	-2.0	-96.82	327.36	6.86	-89.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=N1	REAL300000470338	1	34	-2.0	-114.69	318.53	2.50	-112.19
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1C(=O)[O-]	REAL300000470339	0	31	-2.0	-121.13	313.58	6.40	-114.73
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470341	1	42	-2.0	-117.68	369.70	6.93	-110.75
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470342	0	40	-2.0	-123.89	368.87	8.59	-115.30
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)=C1C(=O)[O-]	REAL300000470343	0	40	-2.0	-123.16	364.70	8.30	-114.86
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000470344	0	34	-2.0	-124.74	327.84	7.18	-117.56
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470345	1	43	-2.0	-127.06	390.15	8.17	-118.89
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1C	REAL300000470346	1	43	-2.0	-119.88	384.04	7.93	-111.95
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=C1C(=O)[O-]	REAL300000470347	0	42	-2.0	-136.75	369.07	7.03	-129.72
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1C(=O)[O-]	REAL300000470348	0	34	-2.0	-126.40	317.95	4.45	-121.95
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470349	1	37	-2.0	-112.73	345.90	7.60	-105.13
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470350	1	38	-2.0	-124.81	342.70	6.04	-118.77
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1C(=O)[O-]	REAL300000470351	0	31	-2.0	-122.14	313.68	6.67	-115.47
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C)=C3C(=O)[O-])C=C2C=C1	REAL300000470353	1	40	-2.0	-126.01	358.65	8.75	-117.26
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1C(=O)[O-]	REAL300000470354	0	28	-2.0	-118.76	299.32	5.27	-113.49
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470355	0	31	-2.0	-120.29	304.92	5.48	-114.81
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)C)C=C2)=C1C(=O)[O-]	REAL300000470356	1	44	-2.0	-121.75	380.43	6.15	-115.60
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1C(=O)[O-]	REAL300000470357	0	28	-2.0	-116.65	289.63	2.63	-114.02
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=C1C(=O)[O-]	REAL300000470358	0	36	-2.0	-130.33	345.86	6.88	-123.45
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1C(=O)[O-]	REAL300000470359	0	30	-2.0	-116.85	298.24	3.93	-112.92
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=C1C(=O)[O-]	REAL300000470360	0	40	-2.0	-117.02	355.63	4.87	-112.15
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=C1C(=O)[O-]	REAL300000470361	1	40	-2.0	-115.52	360.52	4.36	-111.16
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1C(=O)[O-]	REAL300000470364	0	34	-2.0	-118.96	327.53	6.28	-112.68
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1C(=O)[O-]	REAL300000470365	0	34	-2.0	-125.08	342.64	7.88	-117.20
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470366	0	30	-2.0	-113.74	299.83	4.11	-109.63
CC1=C(F)C=CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1C(=O)[O-]	REAL300000470368	0	35	-2.0	-110.61	337.81	5.39	-105.22
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=C1C(=O)[O-]	REAL300000470368	1	35	-2.0	-114.29	340.18	4.52	-109.77
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000470369	0	37	-2.0	-116.47	347.39	7.20	-109.27
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1C(=O)[O-]	REAL300000470372	0	28	-2.0	-120.39	289.63	4.85	-115.54
CC1=CC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])C(C)=C(F)C=C3)=CC=C2NC1=O	REAL300000470373	1	40	-2.0	-116.91	362.40	5.55	-111.36
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1C(=O)[O-]	REAL300000470374	0	37	-2.0	-135.21	352.15	4.26	-130.95
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000470375	0	34	-2.0	-121.90	329.97	4.67	-117.23
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1C(=O)[O-]	REAL300000470376	1	40	-2.0	-121.15	356.19	7.41	-113.74
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=C1C(=O)[O-]	REAL300000470377	1	32	-2.0	-108.44	319.51	5.96	-102.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300000470380	0	36	-2.0	-114.18	343.68	7.18	-107.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470381	0	37	-2.0	-100.17	337.28	6.73	-93.44
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1C(=O)[O-]	REAL300000470382	0	32	-2.0	-120.92	324.23	5.11	-115.81
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000470383	0	35	-3.0	-213.75	343.56	8.22	-205.53
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C(F)C=C1C	REAL300000470386	0	40	-2.0	-121.29	367.64	7.07	-114.22
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1C(=O)[O-]	REAL300000470387	0	31	-2.0	-111.88	323.93	6.01	-105.87
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1C(=O)[O-]	REAL300000470388	0	36	-2.0	-126.48	328.34	2.73	-123.75
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])S1	REAL300000470389	0	34	-2.0	-122.90	321.45	6.44	-116.46
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CN=C1C	REAL300000470390	0	39	-2.0	-113.52	357.58	5.16	-108.36
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470391	0	32	-2.0	-109.79	314.75	4.67	-105.12
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470392	0	33	-2.0	-111.82	318.90	5.19	-106.63
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300000470393	1	37	-2.0	-114.10	345.76	7.33	-106.77
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470394	1	40	-2.0	-127.36	368.29	7.25	-120.11
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1C(=O)[O-]	REAL300000470395	1	33	-2.0	-110.61	331.08	5.68	-104.93
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=C(F)C=C2)C=NN1C	REAL300000470399	0	34	-2.0	-117.35	312.00	4.05	-113.30
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000470400	1	35	-2.0	-118.77	315.43	6.88	-111.89
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470401	1	44	-2.0	-135.75	384.53	6.64	-129.11
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470402	0	34	-2.0	-119.64	314.72	4.18	-115.46
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470403	1	38	-2.0	-121.06	363.16	6.05	-115.01
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=C1C(=O)[O-]	REAL300000470404	0	31	-2.0	-111.25	308.69	4.10	-107.15
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=C1C(=O)[O-]	REAL300000470406	1	36	-2.0	-118.51	337.76	3.02	-115.49
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000470408	0	31	-2.0	-118.21	306.99	3.34	-114.87
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000470409	0	37	-2.0	-117.54	337.64	5.74	-111.80
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1C(=O)[O-]	REAL300000470411	0	39	-2.0	-111.55	362.49	4.38	-107.17
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1Cl	REAL300000470413	1	35	-2.0	-114.97	336.86	5.67	-109.30
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)=C1C(=O)[O-]	REAL300000470414	0	35	-2.0	-129.48	342.93	2.45	-127.03
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C(=O)[O-]	REAL300000470415	0	33	-3.0	-208.74	323.45	6.40	-202.34
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1C(=O)[O-]	REAL300000470416	0	28	-2.0	-127.79	291.81	3.75	-124.04
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1C(=O)[O-]	REAL300000470417	0	33	-2.0	-133.67	322.54	5.24	-128.43
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1C(=O)[O-]	REAL300000470418	1	36	-2.0	-125.47	327.14	5.65	-119.82
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1C(=O)[O-]	REAL300000470420	0	37	-2.0	-132.77	341.86	8.12	-124.65
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1C(=O)[O-]	REAL300000470421	0	34	-2.0	-127.07	331.49	4.89	-122.18
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470422	0	34	-2.0	-118.39	311.43	7.30	-111.09
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1C(=O)[O-]	REAL300000470423	0	35	-2.0	-117.96	335.76	5.94	-112.02
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1C(=O)[O-]	REAL300000470424	0	36	-2.0	-133.37	327.66	5.63	-127.74
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1F	REAL300000470425	1	40	-2.0	-122.86	373.76	7.31	-115.55
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300000470426	0	40	-2.0	-125.00	361.01	8.81	-116.19
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(F)=C1	REAL300000470432	0	34	-2.0	-124.91	314.24	6.75	-118.16
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1C(=O)[O-]	REAL300000470433	0	30	-2.0	-112.96	316.39	5.01	-107.95
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)=C1C(=O)[O-]	REAL300000470434	0	31	-2.0	-113.67	314.93	3.97	-109.70
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=C1C(=O)[O-]	REAL300000470435	1	36	-2.0	-120.72	335.19	4.27	-116.45
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000470437	0	37	-2.0	-103.75	336.12	6.95	-96.80
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000470437	1	36	-3.0	-190.10	344.91	7.04	-183.06
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470439	0	35	-2.0	-123.89	326.01	5.67	-118.22
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=C1C(=O)[O-]	REAL300000470440	1	34	-2.0	-110.75	330.93	4.92	-105.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000470441	1	39	-2.0	-120.30	353.73	7.66	-112.64
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470442	0	47	-2.0	-131.06	395.78	7.93	-123.13
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1Cl	REAL300000470444	0	34	-2.0	-111.34	334.61	3.04	-108.30
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470445	0	30	-2.0	-111.22	288.29	3.77	-107.45
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000470446	1	35	-2.0	-117.10	341.43	3.98	-113.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CC=C1Cl	REAL300000470447	1	34	-2.0	-116.23	326.80	6.91	-109.32
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1C(=O)[O-]	REAL300000470448	1	37	-2.0	-131.65	339.47	6.80	-124.85
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470449	0	40	-2.0	-127.62	371.91	7.16	-120.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000470450	0	33	-2.0	-129.42	325.93	7.01	-122.41
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1C(=O)[O-]	REAL300000470452	1	34	-2.0	-115.03	333.34	4.01	-111.02
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1C(=O)[O-]	REAL300000470453	0	30	-2.0	-125.31	291.85	4.00	-121.31
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1C(=O)[O-]	REAL300000470456	0	30	-2.0	-110.51	292.76	3.96	-106.55
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=C1C(=O)[O-]	REAL300000470458	0	29	-2.0	-125.23	301.73	5.22	-120.01
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1C(=O)[O-]	REAL300000470461	1	31	-2.0	-111.79	313.93	6.38	-105.41
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1C(=O)[O-]	REAL300000470462	0	40	-2.0	-132.11	353.07	6.18	-125.93
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=C1C(=O)[O-]	REAL300000470463	1	38	-2.0	-125.75	356.46	3.68	-122.07
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1C(=O)[O-]	REAL300000470464	0	39	-2.0	-132.24	343.52	7.02	-125.22
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470465	0	41	-2.0	-123.01	364.88	4.80	-118.21
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(F)=C1	REAL300000470466	0	40	-2.0	-120.86	373.46	7.47	-113.39
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470472	1	38	-2.0	-132.95	347.28	3.25	-129.70
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C	REAL300000470475	1	42	-2.0	-125.56	377.04	5.00	-120.56
CC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=C(F)C=C2)N1C	REAL300000470478	0	34	-2.0	-119.46	310.70	4.78	-114.68
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470479	1	44	-2.0	-125.57	381.43	7.48	-118.09
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1F	REAL300000470482	0	36	-2.0	-127.15	339.14	7.93	-119.22
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CN1CC1CC1	REAL300000470483	0	44	-2.0	-137.11	390.22	7.76	-129.35
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])O1	REAL300000470484	0	37	-2.0	-116.91	348.79	5.18	-111.73
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C)=C3C(=O)[O-])C=C2C1	REAL300000470485	1	42	-2.0	-127.76	375.13	6.32	-121.44
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1C(=O)[O-]	REAL300000470486	0	34	-2.0	-118.84	331.09	5.32	-113.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300000470487	1	39	-2.0	-118.92	355.02	8.16	-110.76
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=C1C(=O)[O-]	REAL300000470488	0	34	-2.0	-107.77	332.95	4.44	-103.33
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1C(=O)[O-]	REAL300000470489	0	30	-2.0	-117.89	308.70	4.42	-113.47
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1C(=O)[O-]	REAL300000470490	1	41	-2.0	-135.93	357.44	9.21	-126.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(F)=C1F	REAL300000470492	0	34	-2.0	-126.28	323.43	6.59	-119.69
CC1=C(F)C=CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000470494	0	33	-2.0	-134.16	319.70	4.71	-129.45
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(C)=N1	REAL300000470495	0	43	-2.0	-119.28	379.25	6.58	-112.70
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C(=O)[O-]	REAL300000470497	0	32	-3.0	-189.01	316.79	4.43	-184.58
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470498	0	35	-2.0	-117.71	324.14	5.95	-111.76
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=C1C(=O)[O-]	REAL300000470500	1	43	-2.0	-119.26	369.56	8.07	-111.19
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=C1C(=O)[O-]	REAL300000470501	1	32	-2.0	-111.03	318.56	6.28	-104.75
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=C1C(=O)[O-]	REAL300000470502	0	34	-2.0	-115.34	324.48	4.44	-110.90
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1C(=O)[O-]	REAL300000470503	0	33	-2.0	-133.30	314.51	5.00	-128.30
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1C(=O)[O-]	REAL300000470503	1	33	-2.0	-120.66	314.61	4.86	-115.80
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000470504	0	35	-2.0	-131.05	325.08	5.78	-125.27
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=C1C(=O)[O-]	REAL300000470505	0	41	-2.0	-119.84	352.34	5.93	-113.91
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=C1C(=O)[O-]	REAL300000470506	0	43	-2.0	-118.57	359.68	6.42	-112.15
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1C(=O)[O-]	REAL300000470508	0	41	-2.0	-119.92	358.75	6.17	-113.75
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)=C1C(=O)[O-]	REAL300000470509	0	34	-2.0	-112.41	325.64	4.71	-107.70
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C)N=C2Br)=C1C(=O)[O-]	REAL300000470510	0	31	-2.0	-118.96	316.54	4.02	-114.94
CC1=C(F)C=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1C(=O)[O-]	REAL300000470514	0	32	-2.0	-111.91	305.17	4.44	-107.47
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1C(=O)[O-]	REAL300000470514	1	32	-2.0	-115.36	307.53	3.57	-111.79
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470516	0	37	-2.0	-118.19	334.16	4.98	-113.21
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1F	REAL300000470517	1	36	-2.0	-120.11	336.35	6.28	-113.83
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C1C(=O)[O-]	REAL300000470518	0	31	-2.0	-113.44	296.56	3.17	-110.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(C#N)=C1	REAL300000470519	0	35	-2.0	-129.38	330.85	6.76	-122.62
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470520	0	35	-2.0	-123.40	316.09	7.03	-116.37
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1C(=O)[O-]	REAL300000470521	1	34	-2.0	-116.60	330.53	6.77	-109.83
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=C1C(=O)[O-]	REAL300000470524	1	38	-2.0	-120.51	348.07	7.75	-112.76
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470526	0	31	-2.0	-111.04	310.58	1.61	-109.43
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=NS2)=C1C(=O)[O-]	REAL300000470528	0	27	-2.0	-113.37	278.08	3.52	-109.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470531	0	37	-3.0	-187.01	348.02	6.17	-180.84
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470531	1	38	-2.0	-108.69	345.30	6.08	-102.61
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000470532	0	35	-2.0	-116.87	330.85	1.42	-115.45
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470533	1	40	-2.0	-117.30	340.07	8.21	-109.09
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1C(=O)[O-]	REAL300000470534	0	31	-2.0	-125.99	306.06	5.94	-120.05
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470536	0	30	-3.0	-180.43	319.91	5.35	-175.08
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1C(=O)[O-]	REAL300000470537	1	36	-2.0	-133.11	327.58	6.31	-126.80
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470538	0	38	-2.0	-122.83	352.76	6.01	-116.82
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C1C(=O)[O-]	REAL300000470539	0	32	-2.0	-124.99	317.15	6.23	-118.76
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C)N=N2)=C1C(=O)[O-]	REAL300000470540	0	30	-2.0	-123.09	290.13	2.13	-120.96
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470541	0	34	-2.0	-111.93	345.90	5.10	-106.83
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1C(=O)[O-]	REAL300000470542	0	38	-2.0	-119.58	341.25	5.50	-114.08
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1C(=O)[O-]	REAL300000470543	0	38	-2.0	-117.50	336.58	5.81	-111.69
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1C(=O)[O-]	REAL300000470544	0	41	-2.0	-118.55	360.51	6.38	-112.17
CC1=C(F)C=CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1C(=O)[O-]	REAL300000470545	0	32	-2.0	-97.37	328.11	5.36	-92.01
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1C(=O)[O-]	REAL300000470545	1	31	-3.0	-212.57	330.31	5.42	-207.15
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=C1C(=O)[O-]	REAL300000470546	0	42	-2.0	-126.95	366.39	3.81	-123.14
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1C(=O)[O-]	REAL300000470547	0	37	-2.0	-121.80	358.18	6.72	-115.08
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=C1C(=O)[O-]	REAL300000470548	1	37	-2.0	-119.02	342.06	3.05	-115.97
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1C(=O)[O-]	REAL300000470549	0	28	-2.0	-118.96	292.01	4.54	-114.42
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1F	REAL300000470550	1	35	-2.0	-110.93	337.22	5.36	-105.57
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1C(=O)[O-]	REAL300000470551	0	38	-2.0	-125.25	335.73	5.84	-119.41
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1F	REAL300000470552	0	35	-2.0	-118.62	332.55	5.25	-113.37
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)=C1C(=O)[O-]	REAL300000470554	0	41	-2.0	-127.41	365.66	7.21	-120.20
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470555	0	34	-2.0	-114.27	309.03	6.47	-107.80
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=C1C(=O)[O-]	REAL300000470556	0	39	-2.0	-134.83	348.60	6.39	-128.44
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=C1C(=O)[O-]	REAL300000470557	0	39	-2.0	-119.09	360.02	5.48	-113.61
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=C1C(=O)[O-]	REAL300000470558	1	39	-2.0	-118.32	352.54	8.01	-110.31
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470559	0	35	-2.0	-125.60	327.81	6.48	-119.12
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1C(=O)[O-]	REAL300000470560	0	28	-2.0	-118.40	296.78	5.25	-113.15
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(Br)=NN2C)=C1C(=O)[O-]	REAL300000470561	0	31	-2.0	-109.66	313.29	3.94	-105.72
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000470562	0	33	-2.0	-111.14	325.24	4.97	-106.17
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470563	0	36	-2.0	-132.94	325.01	5.40	-127.54
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470564	0	33	-2.0	-109.03	306.57	3.15	-105.88
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1C(=O)[O-]	REAL300000470566	1	32	-2.0	-109.85	306.22	4.60	-105.25
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1C(=O)[O-]	REAL300000470567	0	34	-2.0	-124.92	330.19	7.25	-117.67
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1C(=O)[O-]	REAL300000470568	0	34	-2.0	-135.87	336.25	5.52	-130.35
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=C1C(=O)[O-]	REAL300000470569	0	38	-2.0	-116.00	343.29	5.54	-110.46
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1OC	REAL300000470571	0	39	-2.0	-123.51	347.13	5.73	-117.78
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=C1C(=O)[O-]	REAL300000470572	1	40	-2.0	-124.70	359.66	3.04	-121.66
CC1=C(F)C=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000470573	0	34	-2.0	-125.55	321.12	6.10	-119.45
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1OC	REAL300000470574	0	39	-2.0	-131.70	350.81	6.14	-125.56
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)=C1C(=O)[O-]	REAL300000470575	0	44	-2.0	-125.51	380.10	6.72	-118.79
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)=C1C(=O)[O-]	REAL300000470576	0	35	-2.0	-126.21	342.20	7.76	-118.45
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=C1C(=O)[O-]	REAL300000470577	0	38	-2.0	-122.32	346.65	5.74	-116.58
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1C(=O)[O-]	REAL300000470579	0	34	-2.0	-130.29	320.78	5.02	-125.27
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=C1C(=O)[O-]	REAL300000470580	0	36	-2.0	-142.26	335.89	4.21	-138.05
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=C1C(=O)[O-]	REAL300000470581	0	38	-2.0	-120.59	329.83	7.73	-112.86
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CN=C1N	REAL300000470582	1	35	-2.0	-121.20	319.37	3.53	-117.67
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470583	0	31	-2.0	-118.99	308.64	1.68	-117.31
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])N=CN1	REAL300000470584	0	31	-2.0	-133.24	290.28	3.89	-129.35
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1C(=O)[O-]	REAL300000470586	1	34	-2.0	-119.37	325.07	6.20	-113.17
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=C1C(=O)[O-]	REAL300000470587	0	41	-2.0	-124.35	362.85	6.22	-118.13
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)=C1C(=O)[O-]	REAL300000470588	1	49	-2.0	-126.30	405.58	9.73	-116.57
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1C(=O)[O-]	REAL300000470589	0	28	-2.0	-117.65	297.18	5.35	-112.30
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1C(=O)[O-]	REAL300000470590	0	41	-2.0	-120.28	365.34	6.45	-113.83
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1C(=O)[O-]	REAL300000470591	0	35	-2.0	-126.80	329.48	6.93	-119.87
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)=C1C(=O)[O-]	REAL300000470592	1	44	-2.0	-126.69	374.12	4.20	-122.49
COC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000470593	0	40	-2.0	-144.31	349.73	6.99	-137.32
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470594	1	40	-2.0	-123.92	355.73	8.03	-115.89
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470595	0	37	-2.0	-113.32	347.62	4.15	-109.17
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=C1C(=O)[O-]	REAL300000470596	0	32	-2.0	-123.38	315.86	6.16	-117.22
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=C1C(=O)[O-]	REAL300000470597	0	38	-2.0	-120.22	337.06	5.34	-114.88
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470598	0	35	-2.0	-107.08	347.79	7.16	-99.92
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=C1C(=O)[O-]	REAL300000470601	0	40	-2.0	-114.02	338.41	5.73	-108.29
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=C1C(=O)[O-]	REAL300000470602	0	40	-2.0	-120.03	355.84	5.53	-114.50
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1C(=O)[O-]	REAL300000470603	0	38	-2.0	-120.66	339.93	4.91	-115.75
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=CN=C1C(F)(F)F	REAL300000470604	0	36	-2.0	-111.04	342.26	5.63	-105.41
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=C1C(=O)[O-]	REAL300000470605	0	42	-2.0	-119.59	365.62	6.62	-112.97
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470606	0	33	-2.0	-103.76	330.36	6.56	-97.20
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000470607	1	34	-2.0	-111.40	336.82	6.90	-104.50
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1C(=O)[O-]	REAL300000470608	1	34	-2.0	-116.62	312.33	6.62	-110.00
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1C(=O)[O-]	REAL300000470609	0	31	-2.0	-119.72	312.89	6.19	-113.53
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1C(=O)[O-]	REAL300000470610	0	31	-2.0	-112.11	323.09	5.92	-106.19
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470611	0	34	-2.0	-114.89	313.52	4.03	-110.86
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1C	REAL300000470613	1	37	-2.0	-122.93	323.84	7.12	-115.81
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1C(=O)[O-]	REAL300000470614	1	34	-2.0	-120.93	319.12	6.84	-114.09
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470615	1	42	-2.0	-132.06	375.92	7.85	-124.21
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)=C1C(=O)[O-]	REAL300000470617	1	41	-2.0	-125.00	371.59	7.51	-117.49
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000470619	1	40	-2.0	-118.00	362.76	7.45	-110.55
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=C1C(=O)[O-]	REAL300000470620	0	32	-2.0	-120.55	323.98	6.66	-113.89
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000470621	0	31	-2.0	-120.81	311.35	6.05	-114.76
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1C(=O)[O-]	REAL300000470622	1	38	-2.0	-124.09	340.58	7.92	-116.17
COC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=CS1	REAL300000470623	0	32	-2.0	-124.82	313.61	4.26	-120.56
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000470624	0	34	-2.0	-118.46	323.63	7.26	-111.20
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470625	0	37	-2.0	-116.53	356.32	6.13	-110.40
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1C(=O)[O-]	REAL300000470626	0	38	-2.0	-126.66	346.06	7.99	-118.67
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1C(=O)[O-]	REAL300000470627	0	41	-2.0	-118.00	356.11	6.41	-111.59
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470628	0	40	-2.0	-116.68	351.28	5.71	-110.97
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000470629	1	40	-2.0	-123.14	355.32	3.35	-119.79
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)=C1C(=O)[O-]	REAL300000470631	0	34	-2.0	-129.92	345.28	2.31	-127.61
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=C1C(=O)[O-]	REAL300000470632	0	36	-2.0	-132.99	334.95	4.17	-128.82
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])O1	REAL300000470633	0	34	-2.0	-121.78	317.43	5.41	-116.37
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1C(=O)[O-]	REAL300000470634	0	31	-2.0	-113.79	315.20	5.03	-108.76
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470635	0	35	-2.0	-115.61	332.29	5.73	-109.88
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)=C1C(=O)[O-]	REAL300000470636	0	45	-2.0	-122.04	389.68	4.95	-117.09
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=C1C(=O)[O-]	REAL300000470637	1	37	-2.0	-122.64	344.55	7.35	-115.29
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1C(=O)[O-]	REAL300000470638	1	35	-2.0	-121.42	330.60	5.40	-116.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])S1	REAL300000470640	0	32	-2.0	-118.04	315.14	4.26	-113.78
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C2=NC=CC=C12	REAL300000470641	0	42	-2.0	-136.49	355.75	8.09	-128.40
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1C(=O)[O-]	REAL300000470643	0	34	-2.0	-115.18	324.02	4.52	-110.66
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470644	1	41	-2.0	-124.08	368.26	6.50	-117.58
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)=C1C(=O)[O-]	REAL300000470645	0	34	-2.0	-116.48	343.02	5.28	-111.20
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)=C1C(=O)[O-]	REAL300000470646	0	41	-2.0	-118.50	371.01	7.01	-111.49
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1C(=O)[O-]	REAL300000470647	0	44	-2.0	-119.48	377.73	6.77	-112.71
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1C(=O)[O-]	REAL300000470648	1	34	-2.0	-121.90	311.88	6.78	-115.12
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470649	1	43	-2.0	-124.78	380.58	8.49	-116.29
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN32)=C1C(=O)[O-]	REAL300000470650	0	34	-2.0	-125.76	316.85	6.21	-119.55
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1C(=O)[O-]	REAL300000470651	1	33	-2.0	-123.74	322.29	5.21	-118.53
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=N1	REAL300000470652	0	33	-2.0	-119.06	312.05	2.68	-116.38
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1Cl	REAL300000470653	0	34	-2.0	-115.16	333.01	4.74	-110.42
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=C1C(=O)[O-]	REAL300000470654	0	33	-2.0	-116.39	332.35	5.10	-111.29
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1C(=O)[O-]	REAL300000470655	0	28	-2.0	-115.11	291.09	4.43	-110.68
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=C1C(=O)[O-]	REAL300000470656	1	36	-2.0	-131.78	344.55	6.78	-125.00
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=C(F)C=C2)C2=CC=CC=C12	REAL300000470657	1	40	-2.0	-133.03	350.11	8.66	-124.37
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1C(=O)[O-]	REAL300000470659	0	31	-2.0	-116.74	318.86	6.43	-110.31
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])O1	REAL300000470660	0	37	-2.0	-135.01	354.96	2.11	-132.90
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000470661	0	41	-2.0	-126.19	368.75	7.23	-118.96
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1C(=O)[O-]	REAL300000470663	0	35	-2.0	-122.18	335.16	7.13	-115.05
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)=C1C(=O)[O-]	REAL300000470664	1	34	-2.0	-111.31	335.44	6.53	-104.78
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=C1C(=O)[O-]	REAL300000470666	0	27	-2.0	-109.91	295.28	4.24	-105.67
CC1=COC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470667	0	31	-2.0	-120.78	295.92	4.48	-116.30
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1	REAL300000470668	1	41	-2.0	-116.94	370.99	7.69	-109.25
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1OC	REAL300000470669	0	36	-2.0	-120.65	344.35	3.83	-116.82
CC1=C(F)C=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1C(=O)[O-]	REAL300000470670	0	32	-2.0	-86.77	326.47	4.38	-82.39
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1C(=O)[O-]	REAL300000470670	1	31	-3.0	-181.89	327.92	4.85	-177.04
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1C(=O)[O-]	REAL300000470671	0	30	-2.0	-105.90	308.97	4.45	-101.45
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=C1C(=O)[O-]	REAL300000470672	1	35	-2.0	-120.16	336.81	5.46	-114.70
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=C1C(=O)[O-]	REAL300000470673	0	37	-2.0	-121.17	335.76	5.76	-115.41
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=C1C(=O)[O-]	REAL300000470674	1	38	-2.0	-130.08	345.07	7.58	-122.50
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=C1C(=O)[O-]	REAL300000470675	0	34	-2.0	-123.57	322.03	7.21	-116.36
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1C(=O)[O-]	REAL300000470676	0	28	-2.0	-109.62	316.43	5.91	-103.71
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=C1C(=O)[O-]	REAL300000470677	0	31	-2.0	-114.53	311.23	3.87	-110.66
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=C1C(=O)[O-]	REAL300000470678	1	36	-2.0	-113.22	336.88	6.47	-106.75
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=C1C(=O)[O-]	REAL300000470679	0	37	-2.0	-132.82	329.18	7.64	-125.18
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C1C(=O)[O-]	REAL300000470680	0	29	-2.0	-118.93	295.50	4.26	-114.67
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470681	0	33	-2.0	-110.31	319.10	5.20	-105.11
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470682	1	42	-2.0	-125.66	374.68	7.43	-118.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(C2CC2)=N1	REAL300000470683	0	41	-2.0	-122.74	368.15	6.61	-116.13
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C2=NSN=C2C=C1	REAL300000470684	0	35	-2.0	-126.67	329.58	5.15	-121.52
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=C1C(=O)[O-]	REAL300000470685	1	37	-2.0	-120.13	353.99	8.59	-111.54
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470688	0	44	-2.0	-119.54	378.03	7.03	-112.51
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1C(=O)[O-]	REAL300000470689	0	28	-2.0	-116.83	290.14	4.31	-112.52
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1C(=O)[O-]	REAL300000470690	0	28	-2.0	-114.78	300.16	5.33	-109.45
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470691	0	45	-2.0	-129.44	396.17	6.11	-123.33
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1C(=O)[O-]	REAL300000470692	0	37	-2.0	-126.09	350.19	8.65	-117.44
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=C1C(=O)[O-]	REAL300000470693	0	39	-2.0	-118.06	343.64	3.56	-114.50
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1C(=O)[O-]	REAL300000470694	1	38	-2.0	-125.23	334.89	7.97	-117.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(C)=N1	REAL300000470698	1	37	-2.0	-114.58	334.19	3.24	-111.34
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470699	0	37	-2.0	-126.51	338.76	3.63	-122.88
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470700	0	34	-2.0	-119.24	334.07	3.48	-115.76
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C	REAL300000470701	1	37	-2.0	-116.07	338.65	3.23	-112.84
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=C1C(=O)[O-]	REAL300000470702	0	40	-2.0	-118.96	354.29	5.97	-112.99
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C)=C1C(=O)[O-]	REAL300000470703	0	40	-2.0	-120.28	354.93	5.56	-114.72
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1C(=O)[O-]	REAL300000470704	0	30	-2.0	-123.12	319.00	3.77	-119.35
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C1C(=O)[O-]	REAL300000470705	0	29	-2.0	-121.63	294.34	4.22	-117.41
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C1C(=O)[O-]	REAL300000470706	0	29	-2.0	-122.72	300.84	5.19	-117.53
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=NN2C(C)C)=C1C(=O)[O-]	REAL300000470707	0	37	-2.0	-116.11	333.09	5.06	-111.05
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C1C	REAL300000470708	0	39	-2.0	-113.49	358.11	5.18	-108.31
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C(=O)[O-]	REAL300000470709	0	41	-2.0	-106.62	365.19	8.14	-98.48
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C(=O)[O-]	REAL300000470709	1	40	-3.0	-187.42	365.93	8.26	-179.16
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])=C1C(=O)[O-]	REAL300000470710	0	34	-2.0	-126.48	332.15	7.72	-118.76
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1C(=O)[O-]	REAL300000470711	0	38	-2.0	-115.57	343.55	5.92	-109.65
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300000470712	0	38	-2.0	-123.46	343.30	7.03	-116.43
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=C(F)C=C2)C=NN1C(C)C	REAL300000470714	0	40	-2.0	-118.43	354.43	5.62	-112.81
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1C(=O)[O-]	REAL300000470715	1	38	-2.0	-123.49	351.20	8.01	-115.48
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1C(=O)[O-]	REAL300000470716	0	33	-2.0	-121.38	320.60	4.93	-116.45
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=C1C(=O)[O-]	REAL300000470717	0	31	-2.0	-120.33	329.99	2.01	-118.32
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1C(=O)[O-]	REAL300000470719	1	38	-2.0	-120.88	345.83	8.03	-112.85
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1C(=O)[O-]	REAL300000470720	0	35	-2.0	-124.87	341.79	6.28	-118.59
CC1=C(F)C=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C(=O)[O-]	REAL300000470721	0	41	-2.0	-103.34	355.01	8.15	-95.19
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C(=O)[O-]	REAL300000470721	1	40	-3.0	-201.94	363.90	8.24	-193.70
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1C(=O)[O-]	REAL300000470722	1	32	-2.0	-122.98	302.36	2.96	-120.02
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1C(=O)[O-]	REAL300000470723	0	34	-2.0	-125.74	329.01	6.75	-118.99
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CSN=C2)=C1C(=O)[O-]	REAL300000470724	0	27	-2.0	-111.12	277.00	3.43	-107.69
CC1=C(F)C=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1C(=O)[O-]	REAL300000470725	0	35	-2.0	-134.76	339.23	5.08	-129.68
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1C(=O)[O-]	REAL300000470726	1	38	-2.0	-131.28	347.17	8.11	-123.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(Cl)=C1Cl	REAL300000470727	0	34	-2.0	-120.91	338.40	7.42	-113.49
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=C1C(=O)[O-]	REAL300000470728	0	38	-2.0	-122.55	359.25	6.87	-115.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C(C(F)F)=C1	REAL300000470729	1	38	-2.0	-126.35	341.80	6.39	-119.96
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C(C)=C(F)C=C2)C2=NC=CC=C12	REAL300000470730	0	39	-2.0	-140.66	349.05	6.98	-133.68
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000470731	0	36	-3.0	-184.67	341.93	6.37	-178.30
CCC1=C(S(=O)(=O)NC2=CC=C(F)C(C)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000470731	1	37	-2.0	-94.98	341.45	5.83	-89.15
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470732	0	44	-2.0	-132.52	380.84	7.83	-124.69
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])C=C(Cl)S1	REAL300000470733	0	31	-2.0	-112.45	316.60	6.22	-106.23
CC1=C(F)C=CC([N-]S(=O)(=O)C2=CN=CS2)=C1C(=O)[O-]	REAL300000470734	0	27	-2.0	-116.12	277.93	2.93	-113.19
CC1=C(F)C=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1C(=O)[O-]	REAL300000470735	0	38	-2.0	-120.87	337.06	5.13	-115.74
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C)=C2C(=O)[O-])=C1	REAL300000470736	0	34	-2.0	-127.83	318.26	6.55	-121.28
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2S1	REAL300000470737	1	36	-2.0	-103.22	345.27	5.98	-97.24
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2S1	REAL300000470738	1	36	-2.0	-93.38	340.72	5.96	-87.42
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2S1	REAL300000470739	1	36	-2.0	-105.61	340.73	5.95	-99.66
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)C=C2S1	REAL300000470740	0	40	-2.0	-110.63	368.88	5.74	-104.89
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2S1	REAL300000470741	1	40	-2.0	-93.00	372.19	7.24	-85.76
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2S1	REAL300000470742	1	39	-2.0	-106.54	356.75	6.48	-100.06
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2S1	REAL300000470743	0	36	-2.0	-101.08	353.80	6.52	-94.56
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2S1	REAL300000470744	1	36	-2.0	-101.44	353.24	6.34	-95.10
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2S1	REAL300000470745	1	42	-2.0	-108.04	373.13	7.26	-100.78
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2S1	REAL300000470746	0	36	-2.0	-102.52	346.21	6.01	-96.51
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2S1	REAL300000470747	1	42	-2.0	-92.34	384.31	7.54	-84.80
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2S1	REAL300000470748	0	33	-2.0	-99.88	333.92	4.96	-94.92
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2S1	REAL300000470749	1	39	-2.0	-106.25	356.17	6.73	-99.52
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2S1	REAL300000470750	1	40	-2.0	-91.74	371.81	6.23	-85.51
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2S1	REAL300000470751	0	37	-2.0	-103.92	347.38	5.29	-98.63
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2S1	REAL300000470753	0	36	-2.0	-96.10	349.84	5.63	-90.47
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=C2S1	REAL300000470754	1	42	-2.0	-107.40	372.19	7.26	-100.14
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2S1	REAL300000470755	0	33	-2.0	-101.35	332.39	4.98	-96.37
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(OC)C(C(=O)[O-])=C3)C=C2S1	REAL300000470756	1	40	-2.0	-111.35	368.02	6.01	-105.34
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3CC)C=C2S1	REAL300000470757	1	42	-2.0	-104.74	370.88	7.66	-97.08
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2S1	REAL300000470758	0	36	-2.0	-99.48	343.74	5.08	-94.40
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2S1	REAL300000470759	0	40	-2.0	-106.94	369.66	5.03	-101.91
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2S1	REAL300000470760	1	39	-2.0	-96.99	361.45	6.76	-90.23
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2S1	REAL300000470761	0	36	-2.0	-102.68	350.43	5.83	-96.85
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2S1	REAL300000470762	0	36	-2.0	-90.98	353.79	6.51	-84.47
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2S1	REAL300000470763	1	36	-2.0	-93.01	345.26	5.99	-87.02
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2S1	REAL300000470764	0	33	-2.0	-94.92	333.00	5.08	-89.84
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2S1	REAL300000470765	1	36	-2.0	-96.59	347.14	6.01	-90.58
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2S1	REAL300000470766	0	39	-2.0	-103.90	366.49	6.65	-97.25
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2S1	REAL300000470767	0	36	-2.0	-92.69	346.20	6.02	-86.67
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2S1	REAL300000470768	1	36	-2.0	-90.97	353.23	6.35	-84.62
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2S1	REAL300000470769	1	36	-2.0	-94.82	351.55	6.04	-88.78
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2S1	REAL300000470770	0	37	-2.0	-105.10	350.45	3.66	-101.44
CCC1=NC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2S1	REAL300000470770	1	37	-2.0	-104.45	339.45	4.53	-99.92
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2S1	REAL300000470771	1	39	-2.0	-97.49	362.91	6.73	-90.76
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2S1	REAL300000470772	1	39	-2.0	-102.02	350.80	6.58	-95.44
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C2S1	REAL300000470773	1	39	-2.0	-104.44	365.57	6.60	-97.84
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C2S1	REAL300000470774	1	39	-2.0	-93.59	356.15	6.72	-86.87
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C2S1	REAL300000470775	1	42	-2.0	-109.79	377.53	7.12	-102.67
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2S1	REAL300000470776	0	36	-2.0	-94.33	352.49	6.07	-88.26
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=C2S1	REAL300000470777	1	42	-2.0	-106.17	375.21	7.34	-98.83
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2S1	REAL300000470778	0	39	-2.0	-104.86	366.05	6.64	-98.22
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2S1	REAL300000470779	0	39	-2.0	-110.54	365.77	6.64	-103.90
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC)C(C(=O)[O-])=C3)C=C2S1	REAL300000470780	1	42	-2.0	-107.29	374.67	7.13	-100.16
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CN(CC)C(C(=O)[O-])=C3)C=C2S1	REAL300000470781	0	40	-2.0	-105.19	368.76	6.16	-99.03
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2S1	REAL300000470782	1	39	-2.0	-93.40	356.74	6.49	-86.91
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C2S1	REAL300000470783	1	39	-2.0	-103.79	360.69	6.77	-97.02
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2S1	REAL300000470784	0	36	-2.0	-109.90	344.39	5.98	-103.92
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2S1	REAL300000470785	1	39	-2.0	-98.22	365.67	6.62	-91.60
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2S1	REAL300000470786	0	35	-2.0	-102.38	337.73	4.00	-98.38
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3OC)C=C2S1	REAL300000470787	0	40	-2.0	-97.33	368.93	5.74	-91.59
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2S1	REAL300000470788	0	33	-2.0	-93.36	340.88	4.92	-88.44
CCC1=NC2=CC=C([N-]S(=O)(=O)C3=C(CC)OC(C(=O)[O-])=C3)C=C2S1	REAL300000470789	0	39	-2.0	-99.20	362.86	5.93	-93.27
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C(Cl)=C2)=C1	REAL300000470791	1	32	-2.0	-98.30	327.71	5.34	-92.96
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000470792	1	33	-2.0	-96.83	334.36	4.70	-92.13
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000470793	0	32	-2.0	-93.28	330.72	4.49	-88.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C(Cl)=C2)=C1	REAL300000470794	0	31	-2.0	-94.20	324.70	3.40	-90.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2Cl)C=C1	REAL300000470795	1	31	-2.0	-104.00	329.04	5.63	-98.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2Cl)=C1	REAL300000470796	1	31	-2.0	-115.95	329.07	5.62	-110.33
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2Cl)C=C1C(=O)[O-]	REAL300000470797	1	34	-2.0	-118.48	345.07	6.15	-112.33
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2Cl)=C1	REAL300000470798	0	28	-2.0	-110.55	322.24	4.64	-105.91
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1Cl	REAL300000470799	1	34	-2.0	-117.09	344.48	6.40	-110.69
CN1C=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2Cl)C=C1C(=O)[O-]	REAL300000470800	0	32	-2.0	-114.50	335.70	4.97	-109.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2Cl)=CS1	REAL300000470801	0	28	-2.0	-112.84	320.72	4.64	-108.20
CC1=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2Cl)C=C(C(=O)[O-])O1	REAL300000470802	0	31	-2.0	-110.24	332.08	4.76	-105.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2Cl)S1	REAL300000470803	0	28	-2.0	-105.95	321.33	4.75	-101.20
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2Cl)=C1	REAL300000470804	0	32	-2.0	-116.05	338.78	3.35	-112.70
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=NN(CC(F)(F)F)C=C2Cl)=C1	REAL300000470804	1	32	-2.0	-117.70	337.51	4.11	-113.59
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2Cl)C=C1	REAL300000470805	1	34	-2.0	-108.28	351.23	6.41	-101.87
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1Cl	REAL300000470806	1	34	-2.0	-112.86	339.12	6.25	-106.61
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1Cl	REAL300000470807	1	34	-2.0	-104.16	344.47	6.38	-97.78
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000470808	1	34	-2.0	-104.15	345.07	6.16	-97.99
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2Cl)=C1	REAL300000470809	0	30	-2.0	-114.01	326.04	3.67	-110.34
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000470810	0	44	-2.0	-110.07	381.86	7.40	-102.67
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000470811	0	44	-2.0	-99.93	377.31	7.39	-92.54
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000470812	0	44	-2.0	-113.01	377.33	7.37	-105.64
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(C)C	REAL300000470813	0	48	-2.0	-118.04	405.47	7.17	-110.87
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000470814	0	48	-2.0	-99.02	408.78	8.67	-90.35
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)C=C1C(=O)[O-]	REAL300000470815	0	47	-2.0	-114.34	393.35	7.91	-106.43
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000470816	0	44	-2.0	-107.82	390.40	7.96	-99.86
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000470817	0	44	-2.0	-108.66	389.84	7.77	-100.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)=C1C	REAL300000470818	0	50	-2.0	-114.94	410.44	8.70	-106.24
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000470819	0	44	-2.0	-109.97	382.81	7.44	-102.53
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000470820	0	50	-2.0	-98.27	420.91	8.95	-89.32
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000470821	0	41	-2.0	-107.09	370.51	6.39	-100.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(C)C	REAL300000470822	0	47	-2.0	-113.07	392.76	8.15	-104.92
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000470823	0	48	-2.0	-97.69	408.40	7.67	-90.02
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000470824	0	45	-2.0	-111.32	383.98	6.72	-104.60
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(C)C	REAL300000470825	0	48	-2.0	-113.19	401.53	6.19	-107.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)=C1	REAL300000470826	0	44	-2.0	-103.16	386.47	7.06	-96.10
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)C=C1C(=O)[O-]	REAL300000470827	0	50	-2.0	-114.37	408.78	8.69	-105.68
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000470828	0	41	-2.0	-108.52	368.98	6.41	-102.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)C=C1C(=O)[O-]	REAL300000470829	0	48	-2.0	-118.78	404.62	7.44	-111.34
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(C)C	REAL300000470830	0	50	-2.0	-110.72	407.46	9.10	-101.62
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)C=C(C(=O)[O-])O1	REAL300000470831	0	44	-2.0	-106.05	380.33	6.51	-99.54
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)=C1	REAL300000470832	0	48	-2.0	-113.86	406.32	6.47	-107.39
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(C)C	REAL300000470833	0	47	-2.0	-103.59	398.05	8.19	-95.40
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)C=C(C(=O)[O-])S1	REAL300000470834	0	44	-2.0	-109.38	385.96	7.26	-102.12
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000470835	0	44	-2.0	-97.17	390.38	7.94	-89.23
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000470836	0	44	-2.0	-99.20	381.84	7.41	-91.79
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000470837	0	41	-2.0	-101.75	369.59	6.50	-95.25
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000470838	0	44	-2.0	-103.61	383.74	7.44	-96.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)=C1F	REAL300000470839	0	47	-2.0	-111.58	403.08	8.07	-103.51
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000470840	0	44	-2.0	-99.58	382.79	7.45	-92.13
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000470841	0	44	-2.0	-97.34	389.82	7.78	-89.56
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000470842	0	44	-2.0	-101.52	388.15	7.47	-94.05
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000470843	0	45	-2.0	-111.64	387.05	5.08	-106.56
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000470844	0	47	-2.0	-103.28	399.51	8.15	-95.13
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(C)C	REAL300000470845	0	47	-2.0	-109.36	387.37	8.00	-101.36
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)=CC(C(=O)[O-])=C1F	REAL300000470846	0	47	-2.0	-111.64	402.16	8.02	-103.62
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(C)C	REAL300000470847	0	47	-2.0	-99.77	392.74	8.15	-91.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)=CC(C(=O)[O-])=C1C	REAL300000470848	0	50	-2.0	-116.42	410.21	8.44	-107.98
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000470849	0	44	-2.0	-101.56	389.07	7.50	-94.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)C(C)=C1C(=O)[O-]	REAL300000470850	0	50	-2.0	-113.91	410.86	8.79	-105.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)C=C1C(=O)[O-]	REAL300000470851	0	47	-2.0	-111.29	398.81	7.97	-103.32
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)=C1	REAL300000470852	0	47	-2.0	-118.77	402.34	8.07	-110.70
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)C=C1C(=O)[O-]	REAL300000470853	0	50	-2.0	-115.14	411.30	8.56	-106.58
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)C=C1C(=O)[O-]	REAL300000470854	0	48	-2.0	-112.51	405.35	7.58	-104.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)=CC=C1C(=O)[O-]	REAL300000470855	0	47	-2.0	-101.69	397.38	8.02	-93.67
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(C)C	REAL300000470856	0	47	-2.0	-110.09	397.28	8.19	-101.90
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000470857	0	44	-2.0	-117.85	380.97	7.41	-110.44
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)C=C1C(=O)[O-]	REAL300000470858	0	47	-2.0	-104.57	398.50	7.95	-96.62
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000470859	0	43	-2.0	-111.04	373.54	5.49	-105.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCCC(C)C	REAL300000470860	0	48	-2.0	-104.17	405.53	7.17	-97.00
CC(C)CCOC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000470861	0	41	-2.0	-100.09	377.44	6.34	-93.75
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCCC(C)C)C=C(C(=O)[O-])O1	REAL300000470862	0	47	-2.0	-105.57	399.46	7.36	-98.21
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1C	REAL300000470863	1	43	-2.0	-85.70	378.70	4.67	-81.03
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(C)=O)=C1	REAL300000470865	0	44	-2.0	-103.07	382.38	7.18	-95.89
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000470867	1	36	-2.0	-103.51	324.33	6.16	-97.35
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(C)=O)=C1	REAL300000470868	0	40	-2.0	-109.70	350.37	5.88	-103.82
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1C	REAL300000470869	1	40	-2.0	-91.61	353.69	7.38	-84.23
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1C	REAL300000470871	0	36	-2.0	-99.80	335.30	6.65	-93.15
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000470872	1	36	-2.0	-99.73	335.70	6.51	-93.22
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1C	REAL300000470873	1	42	-2.0	-107.48	355.44	7.44	-100.04
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C	REAL300000470874	0	36	-2.0	-101.27	327.70	6.14	-95.13
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C	REAL300000470875	1	42	-2.0	-90.76	366.77	7.71	-83.05
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C	REAL300000470876	0	33	-2.0	-98.25	315.95	5.11	-93.14
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1C	REAL300000470877	1	39	-2.0	-105.49	337.66	6.86	-98.63
CC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000470879	1	37	-2.0	-101.99	330.98	5.52	-96.47
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1C	REAL300000470881	0	36	-2.0	-94.34	331.88	5.78	-88.56
CC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C	REAL300000470883	0	33	-2.0	-99.52	315.99	5.20	-94.32
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(C)=O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000470884	1	44	-2.0	-104.32	380.57	5.89	-98.43
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1C	REAL300000470886	1	46	-2.0	-109.16	378.01	8.73	-100.43
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1C	REAL300000470887	1	45	-2.0	-107.49	378.22	8.17	-99.32
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(C)=O)=C1	REAL300000470888	1	42	-2.0	-103.80	353.33	7.84	-95.96
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(C)=O)=C1	REAL300000470889	0	43	-2.0	-109.70	372.65	6.65	-103.05
CC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000470890	0	39	-2.0	-108.74	355.46	6.73	-102.01
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000470890	1	38	-3.0	-177.59	351.61	6.68	-170.91
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1C	REAL300000470891	1	43	-2.0	-109.30	368.59	8.06	-101.24
CC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1C	REAL300000470892	0	36	-2.0	-98.33	325.23	5.23	-93.10
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1C	REAL300000470893	1	42	-2.0	-108.44	364.40	5.85	-102.59
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1C	REAL300000470894	0	40	-2.0	-104.80	351.21	5.17	-99.63
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1C	REAL300000470896	0	36	-2.0	-96.71	339.83	6.66	-90.05
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C	REAL300000470899	1	39	-2.0	-95.86	345.02	6.98	-88.88
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1C	REAL300000470900	1	40	-2.0	-89.70	360.49	6.45	-83.25
CC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1C	REAL300000470902	1	36	-2.0	-101.78	332.91	6.05	-95.73
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C	REAL300000470903	0	36	-2.0	-89.16	337.37	6.72	-82.44
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C	REAL300000470904	1	36	-2.0	-91.05	328.85	6.20	-84.85
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C	REAL300000470905	0	33	-2.0	-93.11	316.59	5.29	-87.82
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000470906	1	36	-2.0	-94.67	329.62	6.18	-88.49
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1C	REAL300000470907	0	39	-2.0	-102.69	348.53	6.80	-95.89
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(C)=O)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000470908	0	40	-2.0	-94.01	362.53	6.70	-87.31
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C	REAL300000470909	0	36	-2.0	-90.98	327.69	6.15	-84.83
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C	REAL300000470910	1	36	-2.0	-89.33	334.73	6.48	-82.85
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1C	REAL300000470911	1	39	-2.0	-97.55	353.76	7.36	-90.19
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1C	REAL300000470912	1	44	-2.0	-88.43	386.94	7.53	-80.90
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000470913	1	36	-2.0	-93.09	334.02	6.21	-86.88
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C	REAL300000470914	1	38	-2.0	-89.14	350.42	6.75	-82.39
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C	REAL300000470915	0	37	-2.0	-104.38	332.90	3.83	-100.55
CC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C	REAL300000470915	1	37	-2.0	-101.76	320.97	4.68	-97.08
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C	REAL300000470916	1	39	-2.0	-95.46	344.41	6.87	-88.59
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000470917	1	36	-2.0	-94.41	345.03	6.69	-87.72
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C	REAL300000470918	1	39	-2.0	-99.48	334.51	6.81	-92.67
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1C	REAL300000470922	0	38	-2.0	-102.32	350.89	7.26	-95.06
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1C	REAL300000470923	0	36	-2.0	-92.77	336.08	6.29	-86.48
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1C	REAL300000470925	0	39	-2.0	-103.72	347.87	6.79	-96.93
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1C	REAL300000470926	0	39	-2.0	-101.47	356.06	7.30	-94.17
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1C	REAL300000470927	0	39	-2.0	-107.78	347.80	6.79	-100.99
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1C	REAL300000470930	1	39	-2.0	-93.04	349.14	7.27	-85.77
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000470931	1	39	-2.0	-101.23	354.44	7.08	-94.15
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(C)=O)=C2)C=C1C(=O)[O-]	REAL300000470932	1	40	-2.0	-103.46	350.25	6.30	-97.16
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000470934	1	39	-2.0	-98.30	356.13	7.15	-91.15
CC(=O)C1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1C	REAL300000470935	1	45	-2.0	-101.19	372.32	8.18	-93.01
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(C)=O)=C2)C=C1C(=O)[O-]	REAL300000470936	1	40	-2.0	-105.36	363.51	6.75	-98.61
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1C	REAL300000470938	0	41	-2.0	-96.12	365.51	8.27	-87.85
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1C	REAL300000470940	0	38	-2.0	-109.97	348.05	8.01	-101.96
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C	REAL300000470941	0	36	-2.0	-106.99	326.43	6.13	-100.86
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000470942	1	39	-2.0	-96.52	348.43	6.80	-89.72
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C	REAL300000470943	1	42	-2.0	-111.81	364.26	8.24	-103.57
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C	REAL300000470944	0	35	-2.0	-101.38	321.30	4.22	-97.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(C)=O)=C1	REAL300000470945	0	40	-2.0	-95.72	352.52	5.96	-89.76
CC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1C	REAL300000470946	0	33	-2.0	-91.96	323.34	5.09	-86.87
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C	REAL300000470947	1	43	-2.0	-98.46	368.36	7.97	-90.49
CC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C	REAL300000470948	1	43	-2.0	-100.91	367.69	7.97	-92.94
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000470949	0	39	-2.0	-98.27	345.32	6.11	-92.16
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NNC2=NC=C(Br)C=N2)=C1	REAL300000470967	0	29	-2.0	-102.64	300.56	3.60	-99.04
O=C([O-])C1=CC(S(=O)(=O)[N-]NC2=NC=C(Br)C=N2)=C(Cl)O1	REAL300000470975	1	25	-2.0	-92.27	298.07	3.85	-88.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)CCC2=C1	REAL300000470980	0	46	-2.0	-116.74	384.52	6.63	-110.11
CC1(C)CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C2O1	REAL300000470983	0	42	-2.0	-106.55	369.44	7.41	-99.14
CC1(C)CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2O1	REAL300000470986	0	42	-2.0	-108.16	361.85	6.90	-101.26
CC1(C)CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2O1	REAL300000470988	0	39	-2.0	-104.87	349.56	5.85	-99.02
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CCC3=C2)C=C1C(=O)[O-]	REAL300000470991	1	43	-2.0	-109.07	362.99	6.18	-102.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CCC3=C2)=C1	REAL300000470993	0	42	-2.0	-100.93	365.45	6.52	-94.41
CC1(C)CCC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2O1	REAL300000470995	1	39	-2.0	-106.42	348.02	5.87	-100.55
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CCC3=C2)C=C(C(=O)[O-])O1	REAL300000470998	0	42	-2.0	-104.56	359.38	5.97	-98.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CCC3=C2)=C1	REAL300000470999	0	46	-2.0	-111.81	385.32	5.92	-105.89
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)CCC2=C1	REAL300000471000	1	45	-2.0	-102.29	377.04	7.65	-94.64
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CCC3=C2)C=C(C(=O)[O-])S1	REAL300000471001	1	42	-2.0	-108.27	364.97	6.72	-101.55
CC1(C)CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C2O1	REAL300000471002	1	42	-2.0	-95.49	369.39	7.39	-88.10
CC1(C)CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2O1	REAL300000471004	0	39	-2.0	-99.66	348.61	5.95	-93.71
CC1(C)CCC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000471005	1	42	-2.0	-101.33	362.75	6.90	-94.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CCC3=C2)=C1F	REAL300000471006	0	45	-2.0	-109.59	382.08	7.53	-102.06
CC1(C)CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2O1	REAL300000471007	0	42	-2.0	-97.37	361.80	6.90	-90.47
CC1(C)CCC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000471009	1	42	-2.0	-99.45	367.17	6.92	-92.53
CC1(C)CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2O1	REAL300000471010	0	43	-2.0	-110.99	366.09	4.55	-106.44
CC1(C)CCC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2O1	REAL300000471010	1	43	-2.0	-107.35	355.07	5.42	-101.93
CC1(C)CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C2O1	REAL300000471016	0	42	-2.0	-99.56	368.09	6.96	-92.60
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CCC3=C2)C=C1C(=O)[O-]	REAL300000471018	0	45	-2.0	-109.37	377.85	7.43	-101.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CCC3=C2)=C1	REAL300000471019	0	45	-2.0	-115.48	381.37	7.52	-107.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CCC3=C2)C=C1C(=O)[O-]	REAL300000471021	1	46	-2.0	-110.42	384.36	7.04	-103.38
CC1(C)CCC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2O1	REAL300000471024	0	42	-2.0	-114.74	360.00	6.86	-107.88
CC1(C)CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2O1	REAL300000471026	0	41	-2.0	-108.26	353.33	4.88	-103.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OC(C)(C)CCC2=C1	REAL300000471027	0	46	-2.0	-102.47	384.54	6.63	-95.84
CC1(C)CCC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2O1	REAL300000471028	0	39	-2.0	-98.22	356.52	5.82	-92.40
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C)(C)CCC3=C2)C=C(C(=O)[O-])O1	REAL300000471029	0	45	-2.0	-104.55	378.50	6.82	-97.73
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000471030	0	44	-2.0	-120.14	376.22	6.63	-113.51
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000471031	0	44	-2.0	-108.32	376.20	6.55	-101.77
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000471032	0	44	-2.0	-123.29	371.69	6.60	-116.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C(C)C)C=C1C(=O)[O-]	REAL300000471033	0	47	-2.0	-126.70	387.91	7.12	-119.58
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000471034	0	44	-2.0	-119.84	377.17	6.66	-113.18
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000471035	0	41	-2.0	-117.61	364.87	5.63	-111.98
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C(C)C	REAL300000471036	0	47	-2.0	-121.45	387.13	7.37	-114.08
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000471037	0	45	-2.0	-121.49	382.88	5.89	-115.60
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C(C)C)=C1	REAL300000471038	0	44	-2.0	-114.56	380.83	6.29	-108.27
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000471039	0	41	-2.0	-118.81	363.34	5.63	-113.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C(C)C)C=C(C(=O)[O-])O1	REAL300000471040	0	44	-2.0	-115.20	374.69	5.74	-109.46
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C(C)C)C=C(C(=O)[O-])S1	REAL300000471041	0	44	-2.0	-118.03	380.31	6.49	-111.54
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000471042	0	44	-2.0	-110.04	376.20	6.64	-103.40
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000471043	0	41	-2.0	-113.11	363.94	5.73	-107.38
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000471044	0	44	-2.0	-110.95	382.62	6.61	-104.34
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000471045	0	44	-2.0	-107.90	381.68	6.61	-101.29
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000471046	0	45	-2.0	-119.41	381.40	4.32	-115.09
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000471047	0	47	-2.0	-111.01	398.41	7.33	-103.68
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C(C)C	REAL300000471048	0	47	-2.0	-122.10	381.91	7.21	-114.89
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C(C)C	REAL300000471049	0	47	-2.0	-108.24	391.64	7.31	-100.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C(C)C)C=C1C(=O)[O-]	REAL300000471050	0	48	-2.0	-123.17	399.72	6.81	-116.36
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C(C)C)=CC=C1C(=O)[O-]	REAL300000471051	0	47	-2.0	-112.50	391.78	7.23	-105.27
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000471052	0	44	-2.0	-125.62	379.86	6.57	-119.05
CC(C)N(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000471053	0	43	-2.0	-118.80	372.42	4.66	-114.14
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C(C)C)C=C(C(=O)[O-])O1	REAL300000471054	0	47	-2.0	-112.73	388.95	6.55	-106.18
CCN(C1=CN(C)N=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000471087	0	37	-2.0	-118.94	332.89	5.34	-113.60
CCN(C1=CN(C)N=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000471118	0	35	-2.0	-112.61	307.72	3.45	-109.16
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000471160	0	41	-2.0	-90.49	368.36	2.69	-87.80
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000471161	0	34	-2.0	-106.57	316.44	4.14	-102.43
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000471162	0	42	-2.0	-108.17	371.54	5.20	-102.97
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=N1	REAL300000471163	0	34	-2.0	-104.49	328.32	4.81	-99.68
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000471164	0	34	-2.0	-96.65	311.89	4.10	-92.55
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000471165	0	34	-2.0	-109.01	311.90	4.10	-104.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000471166	0	38	-2.0	-114.93	340.06	3.91	-111.02
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000471167	0	34	-2.0	-104.49	328.15	4.59	-99.90
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000471168	0	38	-2.0	-96.46	343.35	5.40	-91.06
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000471169	0	37	-2.0	-110.14	327.92	4.63	-105.51
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000471170	0	34	-2.0	-105.11	324.97	4.67	-100.44
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000471171	0	34	-2.0	-104.94	324.41	4.50	-100.44
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=N1	REAL300000471172	0	34	-2.0	-100.80	337.48	5.05	-95.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=C1C	REAL300000471173	0	40	-2.0	-112.48	344.31	5.42	-107.06
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000471174	0	34	-2.0	-106.55	317.38	4.16	-102.39
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000471175	0	40	-2.0	-95.86	355.47	5.69	-90.17
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000471176	0	31	-2.0	-103.27	305.09	3.13	-100.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000471177	0	37	-2.0	-110.51	327.35	4.89	-105.62
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000471178	0	38	-2.0	-95.11	342.97	4.38	-90.73
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C=N1	REAL300000471179	0	45	-2.0	-91.75	388.74	5.15	-86.60
CC(C)N1C=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=N1	REAL300000471180	0	31	-2.0	-100.58	322.09	3.88	-96.70
CC(C)N1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000471181	0	35	-2.0	-107.57	318.55	3.46	-104.11
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000471182	0	38	-2.0	-110.92	336.11	2.92	-108.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=C1	REAL300000471183	0	34	-2.0	-99.43	321.03	3.78	-95.65
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000471184	0	40	-2.0	-112.02	342.99	5.44	-106.58
CC(C)N1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000471185	0	31	-2.0	-104.73	303.55	3.14	-101.59
COC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000471186	0	42	-2.0	-109.34	370.21	3.92	-105.42
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000471187	0	38	-2.0	-114.93	339.19	4.17	-110.76
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000471188	0	44	-2.0	-114.43	367.16	6.73	-107.70
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000471189	0	43	-2.0	-112.76	365.81	6.10	-106.66
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000471190	0	40	-2.0	-108.94	342.05	5.81	-103.13
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000471191	0	41	-2.0	-114.97	362.35	4.68	-110.29
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000471192	0	36	-3.0	-183.15	340.32	4.67	-178.48
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000471193	0	41	-2.0	-114.78	356.15	6.00	-108.78
CC1=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000471194	0	34	-2.0	-103.40	314.91	3.25	-100.15
CC(C)N1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000471195	0	40	-2.0	-113.82	354.07	3.88	-109.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=C1	REAL300000471196	0	38	-2.0	-109.93	340.89	3.20	-106.73
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000471197	0	42	-2.0	-96.47	365.54	4.72	-91.75
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000471198	0	34	-2.0	-98.65	339.57	4.95	-93.70
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000471199	0	34	-2.0	-101.87	329.50	4.68	-97.19
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000471200	0	38	-2.0	-93.63	359.00	4.93	-88.70
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000471201	0	41	-2.0	-95.62	363.06	5.09	-90.53
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=N1	REAL300000471202	0	44	-2.0	-94.52	391.64	5.36	-89.16
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000471203	0	37	-2.0	-101.03	332.62	4.92	-96.11
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000471204	0	47	-2.0	-95.84	405.50	6.02	-89.82
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000471205	0	38	-2.0	-94.64	349.20	4.45	-90.19
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000471206	0	41	-2.0	-115.50	361.04	5.08	-110.42
CC1=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000471207	0	34	-2.0	-106.70	321.61	3.99	-102.71
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000471208	0	34	-2.0	-98.88	340.14	5.13	-93.75
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000471209	0	34	-2.0	-94.33	324.96	4.67	-89.66
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=N1	REAL300000471210	0	34	-2.0	-93.83	328.32	4.80	-89.03
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000471211	0	34	-2.0	-96.12	316.43	4.14	-91.98
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000471212	0	31	-2.0	-98.27	304.17	3.23	-95.04
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000471213	0	34	-2.0	-99.95	318.30	4.16	-95.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=C1F	REAL300000471214	0	37	-2.0	-107.95	337.68	4.80	-103.15
COC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000471215	0	38	-2.0	-98.84	352.23	4.73	-94.11
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000471216	0	34	-2.0	-95.89	317.38	4.18	-91.71
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000471217	0	34	-2.0	-94.24	324.39	4.51	-89.73
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000471218	0	37	-2.0	-102.71	341.36	5.31	-97.40
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000471219	0	42	-2.0	-93.32	375.65	5.51	-87.81
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000471220	0	34	-2.0	-93.79	328.13	4.60	-89.19
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000471221	0	34	-2.0	-98.08	322.72	4.19	-93.89
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000471222	0	36	-2.0	-94.04	340.09	4.77	-89.27
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000471223	0	35	-2.0	-109.62	321.63	1.82	-107.80
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000471224	0	37	-2.0	-100.58	334.07	4.88	-95.70
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000471225	0	34	-2.0	-99.53	332.60	4.63	-94.90
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000471226	0	37	-2.0	-104.75	321.97	4.72	-100.03
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000471227	0	37	-2.0	-107.89	336.74	4.75	-103.14
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000471228	0	37	-2.0	-97.04	327.33	4.88	-92.16
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000471229	0	40	-2.0	-113.35	348.70	5.26	-108.09
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000471230	0	36	-2.0	-107.30	338.46	5.20	-102.10
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000471231	0	34	-2.0	-98.09	323.67	4.23	-93.86
CC(C)N1C=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=N1	REAL300000471232	0	31	-2.0	-96.03	324.48	3.79	-92.24
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000471233	0	40	-2.0	-109.22	345.30	5.51	-103.71
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000471234	0	37	-2.0	-108.89	337.23	4.79	-104.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=C1Cl	REAL300000471235	0	37	-2.0	-106.97	343.68	5.24	-101.73
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=C1	REAL300000471236	0	37	-2.0	-113.16	336.91	4.80	-108.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000471237	0	40	-2.0	-110.91	345.87	5.28	-105.63
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1CC(=O)[O-]	REAL300000471238	0	41	-2.0	-111.08	362.37	4.23	-106.85
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000471239	0	37	-2.0	-98.22	338.18	5.28	-92.94
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000471240	0	37	-2.0	-93.26	342.02	4.91	-88.35
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000471241	0	37	-2.0	-106.63	343.13	5.05	-101.58
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000471242	0	34	-2.0	-101.84	333.19	4.71	-97.13
CCN1C=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000471243	0	38	-2.0	-108.88	339.92	4.33	-104.55
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000471244	0	46	-2.0	-108.74	377.05	6.97	-101.77
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000471245	0	34	-2.0	-96.88	337.49	4.66	-92.22
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=N1	REAL300000471246	0	38	-2.0	-95.69	356.61	4.40	-91.29
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000471247	0	37	-2.0	-103.49	345.64	5.16	-98.33
CC(C)N1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300000471248	0	43	-2.0	-106.62	361.36	6.23	-100.39
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000471249	0	38	-2.0	-110.74	352.23	4.75	-105.99
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000471250	0	37	-2.0	-96.78	327.91	4.65	-92.13
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000471251	0	39	-2.0	-101.18	355.17	6.30	-94.88
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000471252	0	37	-2.0	-107.97	331.86	4.91	-103.06
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000471253	0	36	-2.0	-115.38	335.66	5.96	-109.42
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000471254	0	34	-2.0	-112.34	315.58	4.13	-108.21
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000471255	0	37	-2.0	-101.62	336.84	4.77	-96.85
CC(C)N1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000471256	0	40	-2.0	-117.07	352.95	6.24	-110.83
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000471257	0	33	-2.0	-106.53	308.12	2.23	-104.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000471258	0	38	-2.0	-100.97	340.12	3.90	-97.07
CC(C)N1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000471259	0	31	-2.0	-97.12	312.05	3.08	-94.04
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000471260	0	38	-2.0	-104.31	355.69	4.66	-99.65
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=N1	REAL300000471261	0	37	-2.0	-99.94	355.27	1.14	-98.80
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000471262	0	41	-2.0	-103.50	358.03	5.98	-97.52
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000471263	0	41	-2.0	-106.13	357.34	5.98	-100.15
CCC1=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000471264	0	37	-2.0	-103.42	334.03	4.10	-99.32
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000471265	0	37	-2.0	-126.48	353.80	5.75	-120.73
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000471266	0	37	-2.0	-114.86	349.25	5.72	-109.14
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000471267	0	37	-2.0	-127.37	349.25	5.71	-121.66
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=N1	REAL300000471268	0	41	-2.0	-133.87	377.40	5.54	-128.33
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000471269	0	41	-2.0	-114.50	380.73	7.02	-107.48
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000471270	0	40	-2.0	-130.96	365.28	6.25	-124.71
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000471271	0	37	-2.0	-123.31	362.33	6.28	-117.03
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000471272	0	37	-2.0	-125.08	361.78	6.11	-118.97
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000471273	0	43	-2.0	-130.87	381.93	7.06	-123.81
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000471274	0	37	-2.0	-125.55	354.74	5.78	-119.77
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000471275	0	43	-2.0	-113.88	392.84	7.32	-106.56
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000471276	0	34	-2.0	-121.43	342.45	4.74	-116.69
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000471277	0	40	-2.0	-128.68	364.69	6.49	-122.19
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000471278	0	41	-2.0	-113.04	380.32	6.00	-107.04
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000471279	0	38	-2.0	-125.70	355.91	5.06	-120.64
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000471280	0	41	-2.0	-128.93	373.46	4.53	-124.40
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300000471281	0	37	-2.0	-118.42	358.37	5.40	-113.02
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000471282	0	43	-2.0	-130.07	380.71	7.02	-123.05
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000471283	0	34	-2.0	-122.83	340.90	4.75	-118.08
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000471284	0	41	-2.0	-135.52	376.56	5.79	-129.73
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000471285	0	46	-2.0	-131.12	403.16	7.71	-123.41
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=N1	REAL300000471286	0	43	-2.0	-126.88	379.39	7.43	-119.45
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=N1	REAL300000471287	0	44	-2.0	-134.29	399.68	6.29	-128.00
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000471288	0	39	-3.0	-204.69	377.66	6.28	-198.41
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000471289	0	44	-2.0	-133.22	393.50	7.61	-125.61
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300000471290	0	37	-2.0	-121.00	352.26	4.86	-116.14
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=N1	REAL300000471291	0	41	-2.0	-129.70	378.18	4.82	-124.88
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=N1	REAL300000471292	0	44	-2.0	-113.44	400.42	6.71	-106.73
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000471293	0	40	-2.0	-118.75	369.97	6.53	-112.22
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)=N1	REAL300000471294	0	44	-2.0	-136.11	398.41	6.70	-129.41
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300000471295	0	37	-2.0	-124.54	358.95	5.60	-118.94
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000471296	0	37	-2.0	-112.21	362.30	6.28	-105.93
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000471297	0	37	-2.0	-113.75	353.79	5.75	-108.00
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000471298	0	34	-2.0	-117.03	341.51	4.85	-112.18
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000471299	0	37	-2.0	-119.68	355.66	5.78	-113.90
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000471300	0	40	-2.0	-127.07	375.01	6.42	-120.65
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000471301	0	37	-2.0	-114.65	354.72	5.80	-108.85
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000471302	0	37	-2.0	-112.13	361.77	6.13	-106.00
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000471303	0	37	-2.0	-115.55	360.08	5.81	-109.74
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000471304	0	39	-2.0	-113.23	377.45	6.38	-106.85
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000471305	0	38	-2.0	-127.93	358.97	3.45	-124.48
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000471306	0	40	-2.0	-119.21	371.45	6.51	-112.70
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000471307	0	40	-2.0	-124.74	359.33	6.34	-118.40
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000471308	0	40	-2.0	-125.73	374.08	6.37	-119.36
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000471309	0	40	-2.0	-114.82	364.67	6.49	-108.33
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000471310	0	43	-2.0	-130.70	382.72	6.81	-123.89
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000471311	0	39	-2.0	-124.28	375.80	6.81	-117.47
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000471312	0	37	-2.0	-116.86	360.99	5.85	-111.01
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000471313	0	43	-2.0	-128.86	383.74	7.09	-121.77
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000471314	0	40	-2.0	-126.78	370.74	6.31	-120.47
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=N1	REAL300000471315	0	40	-2.0	-134.15	374.29	6.42	-127.73
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=N1	REAL300000471316	0	43	-2.0	-131.78	383.58	6.90	-124.88
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=N1	REAL300000471317	0	44	-2.0	-131.14	399.73	5.85	-125.29
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=N1	REAL300000471318	0	41	-2.0	-128.80	377.29	5.94	-122.86
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000471319	0	40	-2.0	-114.99	365.25	6.26	-108.73
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000471320	0	40	-2.0	-125.76	368.80	6.55	-119.21
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000471321	0	39	-2.0	-136.52	373.01	7.57	-128.95
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000471322	0	37	-2.0	-133.34	352.92	5.76	-127.58
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000471323	0	40	-2.0	-118.90	370.42	6.29	-112.61
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000471324	0	36	-2.0	-125.95	346.24	3.78	-122.17
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300000471325	0	41	-2.0	-119.51	377.46	5.52	-113.99
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000471326	0	34	-2.0	-114.78	349.40	4.69	-110.09
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000471327	0	44	-2.0	-121.42	395.37	7.60	-113.82
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000471328	0	44	-2.0	-125.02	394.69	7.60	-117.42
CCOC(=O)CN1C=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=N1	REAL300000471329	0	40	-2.0	-120.81	371.39	5.71	-115.10
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000471330	1	38	-2.0	-84.60	357.60	4.70	-79.90
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471331	1	31	-2.0	-100.50	305.66	6.14	-94.36
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C)=C1	REAL300000471332	0	39	-2.0	-101.88	360.74	7.21	-94.67
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471334	1	31	-2.0	-102.86	301.13	6.11	-96.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C)=C1	REAL300000471335	0	35	-2.0	-108.55	329.27	5.91	-102.64
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000471336	1	35	-2.0	-90.52	332.59	7.41	-83.11
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1Cl	REAL300000471338	0	31	-2.0	-98.72	314.20	6.68	-92.04
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471339	1	31	-2.0	-98.84	313.63	6.50	-92.34
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=CC=C1Cl	REAL300000471340	0	31	-2.0	-94.40	326.71	7.06	-87.34
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1Cl	REAL300000471341	1	37	-2.0	-105.98	333.52	7.42	-98.56
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1Cl	REAL300000471342	0	31	-2.0	-100.25	306.61	6.17	-94.08
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000471343	1	37	-2.0	-89.79	344.68	7.70	-82.09
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000471344	0	28	-2.0	-97.29	294.31	5.13	-92.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C)=C1	REAL300000471345	1	34	-2.0	-104.14	316.56	6.89	-97.25
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471347	1	32	-2.0	-101.35	307.77	5.46	-95.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)=C1	REAL300000471349	0	31	-2.0	-93.43	310.24	5.79	-87.64
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471351	0	28	-2.0	-98.74	292.78	5.14	-93.60
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000471352	1	39	-2.0	-103.26	359.43	5.92	-97.34
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1Cl	REAL300000471354	1	41	-2.0	-107.89	356.39	8.73	-99.16
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1Cl	REAL300000471355	1	40	-2.0	-106.30	355.03	8.12	-98.18
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C)=C1	REAL300000471356	1	37	-2.0	-102.60	331.27	7.83	-94.77
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C)=C1	REAL300000471357	0	38	-2.0	-108.89	351.55	6.67	-102.22
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471358	0	34	-2.0	-106.65	332.00	6.67	-99.98
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471358	1	33	-3.0	-177.21	329.52	6.68	-170.53
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1Cl	REAL300000471359	1	38	-2.0	-108.24	345.36	8.01	-100.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000471360	0	31	-2.0	-97.20	304.13	5.25	-91.95
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471361	1	37	-2.0	-107.59	343.28	5.88	-101.71
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)=C1	REAL300000471362	0	35	-2.0	-103.93	330.10	5.20	-98.73
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471364	1	31	-2.0	-92.66	328.81	6.96	-85.70
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1Cl	REAL300000471365	0	31	-2.0	-95.56	318.73	6.69	-88.87
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CC=C1Cl	REAL300000471366	1	35	-2.0	-87.81	348.23	6.94	-80.87
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1Cl	REAL300000471368	1	34	-2.0	-94.68	321.83	6.93	-87.75
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000471370	1	35	-2.0	-88.76	338.42	6.46	-82.30
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000471372	1	31	-2.0	-100.58	309.73	6.00	-94.58
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=CC=C1Cl	REAL300000471373	0	31	-2.0	-92.51	329.34	7.13	-85.38
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1Cl	REAL300000471374	0	31	-2.0	-88.35	314.17	6.67	-81.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000471375	1	31	-2.0	-90.26	305.65	6.15	-84.11
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000471376	0	28	-2.0	-92.25	293.39	5.23	-87.02
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471377	1	31	-2.0	-93.84	307.52	6.18	-87.66
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1Cl	REAL300000471378	0	34	-2.0	-101.63	326.88	6.82	-94.81
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000471379	0	35	-2.0	-93.01	341.44	6.73	-86.28
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1Cl	REAL300000471380	0	31	-2.0	-90.05	306.58	6.18	-83.87
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1Cl	REAL300000471381	1	31	-2.0	-88.29	313.62	6.51	-81.78
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1Cl	REAL300000471382	1	34	-2.0	-96.45	330.56	7.31	-89.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000471383	1	39	-2.0	-87.39	364.87	7.52	-79.87
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471384	1	31	-2.0	-92.11	311.95	6.20	-85.91
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1Cl	REAL300000471385	1	33	-2.0	-88.10	329.32	6.78	-81.32
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Cl	REAL300000471386	0	32	-2.0	-103.09	310.85	3.81	-99.28
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Cl	REAL300000471386	1	32	-2.0	-102.06	310.03	4.61	-97.45
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000471387	1	34	-2.0	-94.34	323.29	6.90	-87.44
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471388	1	31	-2.0	-93.52	321.84	6.64	-86.88
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000471389	1	34	-2.0	-98.99	311.20	6.75	-92.24
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471390	1	34	-2.0	-101.81	325.95	6.76	-95.05
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471393	0	33	-2.0	-101.44	327.68	7.20	-94.24
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1Cl	REAL300000471394	0	31	-2.0	-91.89	312.88	6.24	-85.65
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1Cl	REAL300000471396	0	34	-2.0	-101.37	322.62	6.71	-94.66
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1Cl	REAL300000471397	0	34	-2.0	-100.47	332.88	7.25	-93.22
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)=C1	REAL300000471398	0	34	-2.0	-107.48	326.15	6.80	-100.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000471399	1	37	-2.0	-104.76	335.37	7.30	-97.46
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000471401	1	34	-2.0	-93.20	331.66	7.37	-85.83
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CC=C1Cl	REAL300000471402	1	34	-2.0	-87.32	331.24	6.93	-80.39
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471403	1	34	-2.0	-100.50	332.34	7.07	-93.43
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000471404	1	35	-2.0	-102.61	329.14	6.32	-96.29
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CC=C1Cl	REAL300000471406	0	31	-2.0	-90.72	326.70	6.67	-84.05
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471407	1	34	-2.0	-97.41	334.87	7.18	-90.23
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471408	0	40	-2.0	-100.37	350.60	8.24	-92.13
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000471409	0	35	-2.0	-104.32	341.45	6.74	-97.58
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1Cl	REAL300000471411	0	36	-2.0	-95.59	344.38	8.31	-87.28
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1Cl	REAL300000471413	0	33	-2.0	-109.91	324.86	7.96	-101.95
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000471414	0	31	-2.0	-106.73	304.75	6.14	-100.59
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471415	1	34	-2.0	-95.63	326.06	6.79	-88.84
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471416	1	37	-2.0	-111.11	342.17	8.23	-102.88
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000471417	0	30	-2.0	-100.54	297.35	4.24	-96.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C)=C1	REAL300000471418	0	35	-2.0	-94.88	329.32	5.91	-88.97
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471419	0	28	-2.0	-90.95	301.27	5.09	-85.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1Cl	REAL300000471420	1	38	-2.0	-97.39	347.25	8.00	-89.39
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1Cl	REAL300000471421	1	38	-2.0	-100.39	346.56	8.00	-92.39
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000471422	0	34	-2.0	-97.13	323.26	6.10	-91.03
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000471423	1	44	-2.0	-103.90	388.38	7.43	-96.47
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000471425	1	44	-2.0	-106.37	383.84	7.39	-98.98
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000471427	0	44	-2.0	-104.13	389.31	7.47	-96.66
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000471428	0	41	-2.0	-100.62	377.02	6.42	-94.20
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCC(C)C)C(F)=C1	REAL300000471429	1	47	-2.0	-108.31	399.27	8.19	-100.12
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000471430	1	45	-2.0	-104.68	390.49	6.76	-97.92
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000471431	0	41	-2.0	-102.07	375.49	6.43	-95.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCCC(C)C)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000471432	0	44	-2.0	-101.04	386.85	6.54	-94.50
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000471433	1	44	-2.0	-93.53	388.36	7.44	-86.09
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000471434	0	41	-2.0	-95.63	376.11	6.53	-89.10
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000471435	1	44	-2.0	-97.31	390.24	7.46	-89.85
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000471436	0	44	-2.0	-93.12	389.30	7.47	-85.65
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000471437	0	45	-2.0	-107.64	393.55	5.11	-102.53
CC(C)CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000471437	1	45	-2.0	-102.83	392.64	5.99	-96.84
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000471438	1	47	-2.0	-97.45	406.02	8.18	-89.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OCCC(C)C)C(F)=C1	REAL300000471439	1	47	-2.0	-101.91	393.91	8.04	-93.87
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCC(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000471441	1	48	-2.0	-105.96	411.86	7.62	-98.34
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000471443	0	44	-2.0	-106.29	387.50	7.44	-98.85
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000471444	0	43	-2.0	-98.46	380.82	5.46	-93.00
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCCC(C)C)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000471445	0	47	-2.0	-101.18	405.97	7.39	-93.79
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000471446	1	36	-2.0	-100.77	348.92	4.88	-95.89
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1OC	REAL300000471447	1	36	-2.0	-91.33	344.37	4.86	-86.47
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000471448	1	36	-2.0	-103.07	344.38	4.85	-98.22
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC(Cl)=C1OC	REAL300000471449	1	40	-2.0	-91.31	375.84	6.15	-85.16
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000471450	1	39	-2.0	-104.60	360.40	5.39	-99.21
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC(Cl)=C1OC	REAL300000471451	1	42	-2.0	-107.21	377.06	6.20	-101.01
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(Cl)=C1OC	REAL300000471452	0	36	-2.0	-100.98	349.86	4.92	-96.06
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC(Cl)=C1OC	REAL300000471453	1	42	-2.0	-90.45	387.96	6.44	-84.01
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(Cl)=C1OC	REAL300000471454	0	33	-2.0	-97.89	337.57	3.87	-94.02
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(Cl)=C1OC	REAL300000471455	1	39	-2.0	-105.16	359.82	5.64	-99.52
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000471456	0	37	-2.0	-101.90	351.03	4.21	-97.69
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC(Cl)=C1OC	REAL300000471457	0	36	-2.0	-94.04	353.49	4.54	-89.50
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000471459	0	33	-2.0	-99.33	336.03	3.90	-95.43
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(OC)C(OC)=C1	REAL300000471460	1	42	-2.0	-103.84	374.52	6.57	-97.27
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000471461	0	36	-2.0	-97.80	347.39	4.00	-93.80
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000471462	0	36	-2.0	-101.62	352.98	4.74	-96.88
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(Cl)=C1OC	REAL300000471463	1	36	-2.0	-90.89	348.90	4.89	-86.00
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(Cl)=C1OC	REAL300000471464	0	33	-2.0	-92.80	336.65	3.98	-88.82
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000471465	1	36	-2.0	-94.52	350.79	4.91	-89.61
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(Cl)=C1OC	REAL300000471466	0	36	-2.0	-90.43	349.85	4.93	-85.50
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(Cl)=C1OC	REAL300000471467	0	37	-2.0	-104.18	354.10	2.56	-101.62
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(Cl)=C1OC	REAL300000471467	1	37	-2.0	-101.68	343.11	3.44	-98.24
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(Cl)=C1OC	REAL300000471468	1	39	-2.0	-94.94	366.56	5.64	-89.30
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(Cl)=C1OC	REAL300000471469	1	39	-2.0	-99.07	354.43	5.48	-93.59
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000471471	1	42	-2.0	-107.77	381.88	6.04	-101.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(OC)C(OC)=C2)C=C1C(=O)[O-]	REAL300000471473	1	42	-2.0	-105.32	378.35	6.04	-99.28
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(OC)C(OC)=C2)C=C1C(=O)[O-]	REAL300000471474	0	40	-2.0	-103.12	372.40	5.08	-98.04
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(Cl)=C1OC	REAL300000471475	1	39	-2.0	-91.38	360.39	5.40	-85.98
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(Cl)=C1OC	REAL300000471476	0	36	-2.0	-106.51	348.04	4.89	-101.62
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(Cl)=C1OC	REAL300000471477	0	35	-2.0	-100.73	340.60	2.98	-97.75
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000471478	0	33	-2.0	-91.53	344.52	3.83	-87.70
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(OC)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000471479	0	39	-2.0	-97.83	366.51	4.85	-92.98
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471480	1	34	-2.0	-97.57	337.52	6.09	-91.48
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300000471481	1	34	-2.0	-88.13	332.97	6.06	-82.07
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471482	1	34	-2.0	-99.66	332.98	6.05	-93.61
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1Cl	REAL300000471483	0	38	-2.0	-104.74	361.12	5.85	-98.89
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000471484	1	38	-2.0	-88.09	364.44	7.35	-80.74
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471485	1	37	-2.0	-102.00	353.05	6.70	-95.30
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1Cl	REAL300000471486	1	40	-2.0	-102.79	365.66	7.41	-95.38
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1Cl	REAL300000471487	0	34	-2.0	-96.69	338.45	6.12	-90.57
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000471488	1	40	-2.0	-87.14	376.55	7.65	-79.49
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000471489	0	31	-2.0	-94.30	326.16	5.07	-89.23
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1Cl	REAL300000471490	1	37	-2.0	-100.73	348.41	6.85	-93.88
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000471491	1	38	-2.0	-86.72	364.06	6.34	-80.38
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471492	0	35	-2.0	-98.27	339.62	5.40	-92.87
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000471494	0	34	-2.0	-90.64	342.10	5.74	-84.90
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC=C1Cl	REAL300000471495	1	40	-2.0	-102.11	364.05	7.40	-94.71
COC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471496	0	31	-2.0	-95.70	324.63	5.09	-90.61
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471497	1	38	-2.0	-105.53	360.26	6.12	-99.41
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C(=O)OC)=C1	REAL300000471498	1	40	-2.0	-99.41	363.12	7.78	-91.63
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471499	0	34	-2.0	-94.31	335.98	5.20	-89.11
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000471500	0	38	-2.0	-100.84	361.96	5.14	-95.70
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471501	0	34	-2.0	-97.47	341.58	5.95	-91.52
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000471502	1	34	-2.0	-87.95	337.50	6.10	-81.85
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000471503	0	31	-2.0	-89.54	325.25	5.19	-84.35
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471504	1	34	-2.0	-90.95	339.38	6.12	-84.83
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1Cl	REAL300000471505	0	34	-2.0	-87.33	338.44	6.13	-81.20
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Cl	REAL300000471506	0	35	-2.0	-99.65	342.69	3.77	-95.88
COC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Cl	REAL300000471506	1	35	-2.0	-99.69	331.73	4.65	-95.04
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000471507	1	37	-2.0	-91.84	355.16	6.84	-85.00
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000471508	1	37	-2.0	-96.07	343.04	6.69	-89.38
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1Cl	REAL300000471509	1	37	-2.0	-88.56	348.39	6.83	-81.73
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471510	1	40	-2.0	-102.46	365.87	7.13	-95.33
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000471511	1	40	-2.0	-100.24	367.46	7.45	-92.79
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000471512	1	40	-2.0	-101.23	367.22	7.24	-93.99
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000471513	0	38	-2.0	-99.48	361.01	6.27	-93.21
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Cl	REAL300000471514	1	37	-2.0	-88.19	348.98	6.60	-81.59
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000471515	0	34	-2.0	-103.53	336.64	6.09	-97.44
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000471516	0	33	-2.0	-96.78	329.96	4.11	-92.67
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1Cl	REAL300000471517	0	38	-2.0	-91.98	361.18	5.85	-86.13
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000471518	0	31	-2.0	-88.31	333.12	5.03	-83.28
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000471519	0	37	-2.0	-94.24	355.11	6.05	-88.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C3=CC=CC=C3)N=C2)C=C1	REAL300000471520	0	38	-2.0	-93.91	356.59	6.70	-87.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C3=CC=CC=C3)N=C2)=C1	REAL300000471521	0	38	-2.0	-108.01	354.80	6.72	-101.29
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(C(F)F)N(C3=CC=CC=C3)N=C2)=C1	REAL300000471522	0	35	-2.0	-102.78	348.02	5.76	-97.02
CN1C=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000471523	0	39	-2.0	-103.89	363.25	6.04	-97.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C3=CC=CC=C3)N=C2)=CS1	REAL300000471524	0	35	-2.0	-105.93	346.45	5.77	-100.16
CC1=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000471525	0	38	-2.0	-99.82	359.62	5.83	-93.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C3=CC=CC=C3)N=C2)S1	REAL300000471526	0	35	-2.0	-99.03	347.07	5.86	-93.17
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(C(F)F)N(C3=CC=CC=C3)N=C2)=C1	REAL300000471527	0	37	-2.0	-103.18	352.84	4.81	-98.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=CC=C1F	REAL300000471528	0	34	-2.0	-109.47	336.69	6.55	-102.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1	REAL300000471529	0	34	-2.0	-99.37	332.15	6.53	-92.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C1	REAL300000471530	0	34	-2.0	-112.08	332.15	6.52	-105.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(F)C=N2)C=C1	REAL300000471531	0	38	-2.0	-117.92	360.29	6.33	-111.59
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1	REAL300000471532	0	38	-2.0	-99.07	363.60	7.82	-91.25
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000471533	0	37	-2.0	-113.22	348.17	7.06	-106.16
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C1	REAL300000471534	0	34	-2.0	-107.95	345.22	7.09	-100.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=CC=C1Cl	REAL300000471535	0	34	-2.0	-107.84	344.67	6.92	-100.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C1C	REAL300000471536	0	40	-2.0	-115.20	365.26	7.85	-107.35
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C1	REAL300000471537	0	34	-2.0	-109.54	337.63	6.59	-102.95
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1	REAL300000471538	0	40	-2.0	-98.37	375.73	8.11	-90.26
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C1	REAL300000471539	0	31	-2.0	-106.20	325.34	5.55	-100.65
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(F)C=N2)C=C1	REAL300000471540	0	37	-2.0	-113.44	347.58	7.31	-106.13
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1	REAL300000471541	0	38	-2.0	-97.76	363.23	6.81	-90.95
CN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000471542	0	35	-2.0	-110.35	338.80	5.87	-104.48
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(F)C=N2)C=C1	REAL300000471543	0	38	-2.0	-113.78	356.36	5.33	-108.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C1	REAL300000471544	0	34	-2.0	-102.21	341.26	6.21	-96.00
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000471545	0	40	-2.0	-114.67	363.61	7.84	-106.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=CS1	REAL300000471546	0	31	-2.0	-107.68	323.80	5.55	-102.13
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000471547	0	38	-2.0	-117.86	359.45	6.59	-111.27
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(F)C=N2)C=C1	REAL300000471548	0	40	-2.0	-111.85	362.30	8.25	-103.60
CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000471549	0	34	-2.0	-105.95	335.16	5.67	-100.28
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C1	REAL300000471550	0	38	-2.0	-112.78	361.07	5.63	-107.15
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(F)C=N2)C=C1	REAL300000471551	0	37	-2.0	-103.70	352.86	7.34	-96.36
CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000471552	0	34	-2.0	-109.66	340.78	6.41	-103.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C(Cl)=C1	REAL300000471553	0	34	-2.0	-96.92	345.20	7.07	-89.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1F	REAL300000471554	0	34	-2.0	-98.74	336.68	6.56	-92.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)S1	REAL300000471555	0	31	-2.0	-101.05	324.41	5.65	-95.40
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C1	REAL300000471556	0	34	-2.0	-102.73	338.55	6.59	-96.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C1F	REAL300000471557	0	37	-2.0	-110.90	357.91	7.23	-103.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C(F)=C1	REAL300000471558	0	34	-2.0	-98.72	337.61	6.59	-92.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1Cl	REAL300000471559	0	34	-2.0	-96.93	344.65	6.94	-89.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=CC(F)=C1F	REAL300000471560	0	34	-2.0	-100.82	342.97	6.62	-94.20
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C1	REAL300000471561	0	35	-2.0	-112.42	341.86	4.25	-108.17
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1	REAL300000471562	0	37	-2.0	-103.12	354.34	7.31	-95.81
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(F)C=N2)C=C1	REAL300000471563	0	37	-2.0	-107.99	342.22	7.15	-100.84
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000471564	0	37	-2.0	-110.76	356.98	7.17	-103.59
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(F)C=N2)C=C1	REAL300000471565	0	37	-2.0	-99.67	347.56	7.29	-92.38
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000471566	0	40	-2.0	-115.02	365.61	7.61	-107.41
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C1	REAL300000471567	0	34	-2.0	-100.92	343.88	6.65	-94.27
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C(C)=C1C(=O)[O-]	REAL300000471568	0	40	-2.0	-112.11	366.63	7.89	-104.22
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000471569	0	37	-2.0	-110.60	353.63	7.12	-103.48
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C1	REAL300000471570	0	37	-2.0	-116.56	357.19	7.22	-109.34
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000471571	0	40	-2.0	-113.90	366.47	7.71	-106.19
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000471572	0	38	-2.0	-111.65	360.17	6.74	-104.91
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=CC=C1C(=O)[O-]	REAL300000471573	0	37	-2.0	-99.50	348.16	7.07	-92.43
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(F)C=N2)C=C1	REAL300000471574	0	37	-2.0	-110.99	351.69	7.36	-103.63
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C1F	REAL300000471575	0	34	-2.0	-115.82	335.79	6.55	-109.27
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000471576	0	37	-2.0	-103.52	353.31	7.10	-96.42
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C1	REAL300000471577	0	33	-2.0	-109.70	328.37	4.65	-105.05
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(F)C=N2)C=C1	REAL300000471578	0	38	-2.0	-103.73	360.35	6.33	-97.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)=C(Cl)O1	REAL300000471579	0	31	-2.0	-99.67	332.29	5.50	-94.17
CCC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(F)C=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000471580	0	37	-2.0	-105.84	354.27	6.52	-99.32
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000471585	1	44	-2.0	-102.66	389.30	7.47	-95.19
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(F)=C1	REAL300000471586	1	41	-2.0	-100.20	377.01	6.42	-93.78
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCCC(C)C)C=C2F)C=C(C(=O)[O-])O1	REAL300000471590	1	44	-2.0	-99.25	386.82	6.54	-92.71
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(F)=C1	REAL300000471592	1	41	-2.0	-95.05	376.08	6.53	-88.52
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000471594	1	44	-2.0	-95.82	384.86	7.57	-88.25
CC(C)CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(F)=C1	REAL300000471595	0	45	-2.0	-104.68	387.95	5.96	-98.72
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000471601	1	44	-2.0	-110.52	387.46	7.43	-103.09
CC(C)CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(F)=C1	REAL300000471602	0	43	-2.0	-107.03	375.61	5.62	-101.41
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCCC(C)C)C=C2F)C=C(C(=O)[O-])O1	REAL300000471603	1	47	-2.0	-99.11	405.95	7.39	-91.72
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC3=CC=CC=C3C3=CC=CC=C32)=C1	REAL300000471636	0	40	-2.0	-111.47	345.30	8.36	-103.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)=CC=C1F	REAL300000471655	0	35	-2.0	-114.34	349.90	7.70	-106.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)C=C1	REAL300000471656	0	35	-2.0	-104.08	345.35	7.67	-96.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)=C1	REAL300000471657	0	35	-2.0	-117.29	345.37	7.66	-109.63
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)C=C1C(=O)[O-]	REAL300000471658	0	38	-2.0	-118.46	361.38	8.20	-110.26
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)=C1	REAL300000471659	0	35	-2.0	-115.02	350.84	7.73	-107.29
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)=C1	REAL300000471660	0	32	-2.0	-111.15	338.56	6.69	-104.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300000471661	0	38	-2.0	-118.87	360.80	8.45	-110.42
CN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)C=C1C(=O)[O-]	REAL300000471662	0	36	-2.0	-115.42	352.02	7.01	-108.41
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)=C1	REAL300000471663	0	35	-2.0	-107.12	354.48	7.35	-99.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)=CS1	REAL300000471664	0	32	-2.0	-112.64	337.02	6.70	-105.94
CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000471665	0	35	-2.0	-110.98	348.37	6.81	-104.17
CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000471666	0	35	-2.0	-114.85	353.99	7.56	-107.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)C=C1F	REAL300000471667	0	35	-2.0	-103.30	349.88	7.71	-95.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)S1	REAL300000471668	0	32	-2.0	-105.81	337.62	6.79	-99.02
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)=C1	REAL300000471669	0	35	-2.0	-107.71	351.77	7.73	-99.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)C(F)=C1	REAL300000471670	0	35	-2.0	-103.40	350.83	7.74	-95.66
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)=C1	REAL300000471671	0	36	-2.0	-117.86	355.08	5.39	-112.47
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)C=C1	REAL300000471672	0	38	-2.0	-108.31	367.55	8.45	-99.86
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300000471673	0	38	-2.0	-112.69	355.44	8.29	-104.40
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300000471674	0	38	-2.0	-104.29	360.78	8.44	-95.85
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)C=C1C(=O)[O-]	REAL300000471675	0	39	-2.0	-116.72	373.39	7.89	-108.83
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)=CC=C1C(=O)[O-]	REAL300000471676	0	38	-2.0	-104.20	361.37	8.21	-95.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)=C1F	REAL300000471677	0	35	-2.0	-120.69	349.00	7.69	-113.00
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)=C1	REAL300000471678	0	34	-2.0	-115.16	342.36	5.72	-109.44
CCC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(Cl)C=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000471679	0	38	-2.0	-110.89	367.50	7.66	-103.23
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=N2)C=C1	REAL300000471680	0	38	-2.0	-118.96	354.57	7.85	-111.11
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300000471681	0	38	-2.0	-108.42	350.02	7.83	-100.59
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300000471682	0	38	-2.0	-122.03	350.04	7.82	-114.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(C)C=C2)C=C1	REAL300000471683	0	42	-2.0	-128.45	378.18	7.63	-120.82
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=N2)C=C1	REAL300000471684	0	42	-2.0	-108.03	381.51	9.12	-98.91
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=N2)C=C1	REAL300000471685	0	41	-2.0	-123.34	366.06	8.36	-114.98
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=N2)C=C1	REAL300000471686	0	38	-2.0	-117.90	363.11	8.38	-109.52
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)C=C1	REAL300000471687	0	38	-2.0	-117.52	362.54	8.22	-109.30
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=N2)C=C1	REAL300000471688	0	44	-2.0	-125.43	383.14	9.15	-116.28
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=N2)C=C1	REAL300000471689	0	38	-2.0	-119.88	355.52	7.89	-111.99
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=N2)C=C1	REAL300000471690	0	44	-2.0	-107.60	393.62	9.41	-98.19
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=N2)C=C1	REAL300000471691	0	35	-2.0	-115.78	343.22	6.85	-108.93
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=N2)C=C1	REAL300000471692	0	41	-2.0	-123.66	365.47	8.61	-115.05
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=N2)C=C1	REAL300000471693	0	42	-2.0	-106.72	381.13	8.11	-98.61
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=N2)C=C1	REAL300000471694	0	39	-2.0	-120.09	356.69	7.18	-112.91
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)=N2)C=C1	REAL300000471695	0	42	-2.0	-123.81	374.25	6.63	-117.18
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C3=CC=C(C)C=C3)C=C2)=C1	REAL300000471696	0	38	-2.0	-111.62	359.16	7.51	-104.11
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=N2)C=C1	REAL300000471697	0	44	-2.0	-124.99	381.50	9.14	-115.85
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=N2)C=C1	REAL300000471698	0	35	-2.0	-117.33	341.69	6.85	-110.48
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(C)C=C3)C=C2)C=C1C(=O)[O-]	REAL300000471699	0	42	-2.0	-127.86	377.34	7.89	-119.97
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)=N2)C=C1	REAL300000471700	0	47	-2.0	-126.08	403.94	9.82	-116.26
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(C)C=C2)C=C1	REAL300000471701	0	44	-2.0	-121.86	380.19	9.54	-112.32
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=N2)C=C1	REAL300000471702	0	45	-2.0	-128.03	394.28	9.71	-118.32
CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(C)C=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000471703	0	38	-2.0	-115.41	353.04	6.97	-108.44
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=N2)C=C1	REAL300000471704	0	42	-2.0	-122.78	379.02	6.91	-115.87
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=N2)C=C1	REAL300000471705	0	41	-2.0	-113.38	370.76	8.64	-104.74
CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(C)C=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000471706	0	38	-2.0	-119.51	358.66	7.71	-111.80
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=N2)C=C1	REAL300000471707	0	38	-2.0	-105.80	363.09	8.37	-97.43
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=N2)C=C1	REAL300000471708	0	38	-2.0	-107.63	354.55	7.86	-99.77
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=N2)C=C1	REAL300000471709	0	35	-2.0	-110.33	342.29	6.95	-103.38
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300000471710	0	38	-2.0	-112.37	356.44	7.89	-104.48
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=N2)C=C1	REAL300000471711	0	41	-2.0	-121.29	375.79	8.53	-112.76
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=N2)C=C1	REAL300000471712	0	38	-2.0	-107.88	355.50	7.89	-99.99
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=N2)C=C1	REAL300000471713	0	38	-2.0	-105.86	362.52	8.22	-97.64
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=N2)C=C1	REAL300000471714	0	38	-2.0	-109.95	360.86	7.92	-102.03
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=N2)C=C1	REAL300000471715	0	39	-2.0	-122.60	359.75	5.53	-117.07
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=N2)C=C1	REAL300000471716	0	41	-2.0	-112.85	372.23	8.61	-104.24
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=N2)C=C1	REAL300000471717	0	41	-2.0	-117.51	360.11	8.45	-109.06
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=N2)C=C1	REAL300000471718	0	41	-2.0	-120.41	374.87	8.47	-111.94
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=N2)C=C1	REAL300000471719	0	41	-2.0	-108.64	365.45	8.59	-100.05
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=N2)C=C1	REAL300000471720	0	44	-2.0	-125.25	383.50	8.91	-116.34
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=N2)C=C1	REAL300000471721	0	38	-2.0	-110.86	361.77	7.95	-102.91
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=N2)C=C1	REAL300000471722	0	44	-2.0	-121.67	384.52	9.19	-112.48
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=N2)C=C1	REAL300000471723	0	41	-2.0	-121.19	371.52	8.42	-112.77
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=N2)C=C1	REAL300000471724	0	41	-2.0	-126.41	375.07	8.51	-117.90
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(C)C=C3)C=C2)C=C1C(=O)[O-]	REAL300000471725	0	44	-2.0	-124.10	384.27	9.01	-115.09
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(C)C=C3)C=C2)C=C1C(=O)[O-]	REAL300000471726	0	42	-2.0	-121.48	378.07	8.04	-113.44
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=N2)C=C1	REAL300000471727	0	41	-2.0	-108.69	366.05	8.37	-100.32
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=N2)C=C1	REAL300000471728	0	41	-2.0	-120.39	369.99	8.63	-111.76
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=N2)C=C1	REAL300000471729	0	38	-2.0	-125.67	353.68	7.85	-117.82
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=N2)C=C1	REAL300000471730	0	41	-2.0	-113.25	371.20	8.39	-104.86
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=N2)C=C1	REAL300000471731	0	37	-2.0	-119.91	347.03	5.88	-114.03
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=C(C)C=C2)C=C1	REAL300000471732	0	42	-2.0	-113.13	378.24	7.63	-105.50
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=N2)C=C1	REAL300000471733	0	35	-2.0	-108.82	350.14	6.79	-102.03
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=N2)C=C1	REAL300000471734	0	45	-2.0	-115.55	396.17	9.71	-105.84
CC1=CC=C(N2C=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=N2)C=C1	REAL300000471735	0	45	-2.0	-118.78	395.48	9.71	-109.07
CCC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=C(C)C=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000471736	0	41	-2.0	-115.30	372.16	7.82	-107.48
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(C2CC2)C=C1Cl	REAL300000471737	1	39	-2.0	-101.65	363.63	7.06	-94.59
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C(C2CC2)C=C1Cl	REAL300000471738	1	39	-2.0	-91.85	359.08	7.04	-84.81
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C2CC2)C=C1Cl	REAL300000471739	1	39	-2.0	-104.29	359.10	7.03	-97.26
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C(C2CC2)C=C1Cl	REAL300000471740	1	42	-2.0	-105.23	375.12	7.57	-97.66
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(C2CC2)C=C1Cl	REAL300000471741	0	39	-2.0	-101.64	364.58	7.10	-94.54
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(C2CC2)C=C1Cl	REAL300000471742	0	36	-2.0	-98.64	352.29	6.05	-92.59
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C(C2CC2)C=C1Cl	REAL300000471743	1	42	-2.0	-105.26	374.53	7.81	-97.45
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C2CC2)C=C1Cl	REAL300000471744	0	40	-2.0	-102.65	365.75	6.38	-96.27
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(C2CC2)C=C1Cl	REAL300000471745	0	36	-2.0	-100.05	350.75	6.07	-93.98
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(C2CC2)C=C1Cl	REAL300000471746	0	39	-2.0	-98.46	362.11	6.17	-92.29
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(C2CC2)C=C1Cl	REAL300000471747	1	39	-2.0	-91.35	363.63	7.07	-84.28
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(C2CC2)C=C1Cl	REAL300000471748	0	36	-2.0	-93.50	351.36	6.16	-87.34
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(C2CC2)C=C1Cl	REAL300000471749	1	39	-2.0	-95.07	365.50	7.10	-87.97
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(C2CC2)C=C1Cl	REAL300000471750	0	39	-2.0	-91.19	364.56	7.10	-84.09
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C(C2CC2)C=C1Cl	REAL300000471751	0	40	-2.0	-104.22	368.82	4.74	-99.48
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C(C2CC2)C=C1Cl	REAL300000471751	1	40	-2.0	-103.61	362.96	5.58	-98.03
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C(C2CC2)C=C1Cl	REAL300000471752	1	42	-2.0	-95.35	381.26	7.82	-87.53
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C(C2CC2)C=C1Cl	REAL300000471753	1	42	-2.0	-100.01	369.17	7.66	-92.35
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C(C2CC2)C=C1Cl	REAL300000471754	1	42	-2.0	-92.05	374.51	7.81	-84.24
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(Cl)C=C2C2CC2)C=C1C(=O)[O-]	REAL300000471755	0	43	-2.0	-103.69	387.13	7.25	-96.44
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C(C2CC2)C=C1Cl	REAL300000471756	1	42	-2.0	-91.89	375.11	7.58	-84.31
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(C2CC2)C=C1Cl	REAL300000471757	0	39	-2.0	-107.84	362.73	7.06	-100.78
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(C2CC2)C=C1Cl	REAL300000471758	0	38	-2.0	-102.04	355.31	5.16	-96.88
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=C(Cl)C=C2C2CC2)C=C(C(=O)[O-])O1	REAL300000471759	0	42	-2.0	-98.23	381.24	7.02	-91.21
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=C(F)C=C1F	REAL300000471760	0	38	-2.0	-97.92	361.12	6.82	-91.10
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=C(F)C=C1F	REAL300000471761	0	38	-2.0	-110.92	361.15	6.82	-104.10
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C1=CC=C(F)C=C1F	REAL300000471762	0	35	-2.0	-104.07	354.39	5.85	-98.22
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1C1=CC=C(F)C=C1F	REAL300000471763	0	39	-2.0	-109.10	367.87	6.18	-102.92
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C1=CC=C(F)C=C1F	REAL300000471764	0	35	-2.0	-106.51	352.88	5.86	-100.65
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=C(F)C=C3F)N=C2)C=C(C(=O)[O-])O1	REAL300000471765	0	38	-2.0	-104.25	364.22	5.97	-98.28
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1=CC=C(F)C=C1F	REAL300000471766	0	35	-2.0	-99.32	353.42	5.94	-93.38
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1C1=CC=C(F)C=C1F	REAL300000471767	0	37	-2.0	-108.17	357.47	4.95	-103.22
CN1C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(=O)N(C)C1=O	REAL300000471795	0	37	-2.0	-103.45	337.45	3.47	-99.98
CN1C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(=O)N(C)C1=O	REAL300000471818	0	35	-2.0	-97.81	317.02	1.48	-96.33
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(=O)N(C)C1=O	REAL300000471826	1	34	-2.0	-91.54	326.14	3.35	-88.19
CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(=O)N(C)C1=O	REAL300000471847	1	31	-2.0	-91.47	314.51	2.20	-89.27
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000471851	0	34	-2.0	-81.80	322.55	1.57	-80.23
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000471852	0	27	-2.0	-96.52	270.64	3.01	-93.51
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CON=C1C	REAL300000471853	0	35	-2.0	-98.10	325.72	4.08	-94.02
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000471854	0	27	-2.0	-94.07	282.52	3.70	-90.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CON=C1C	REAL300000471855	0	31	-2.0	-103.63	294.24	2.79	-100.84
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000471856	0	27	-2.0	-94.11	282.35	3.47	-90.64
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000471857	0	31	-2.0	-87.33	297.55	4.28	-83.05
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000471858	0	27	-2.0	-94.51	279.17	3.55	-90.96
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000471859	0	27	-2.0	-94.65	278.61	3.38	-91.27
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000471860	0	27	-2.0	-90.36	291.66	3.94	-86.42
CC1=NOC=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000471861	0	33	-2.0	-101.45	298.49	4.29	-97.16
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000471862	0	27	-2.0	-95.52	271.56	3.05	-92.47
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000471863	0	33	-2.0	-86.45	309.66	4.57	-81.88
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000471864	0	31	-2.0	-86.00	297.16	3.27	-82.73
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000471865	0	38	-2.0	-82.77	342.93	4.04	-78.73
CC1=NOC=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000471866	0	24	-2.0	-90.38	276.31	2.76	-87.62
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000471867	0	31	-2.0	-100.25	290.30	1.81	-98.44
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000471868	0	27	-2.0	-94.35	291.01	3.62	-90.73
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000471869	0	27	-2.0	-89.34	275.21	2.67	-86.67
CC1=NOC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000471870	0	33	-2.0	-102.09	301.54	4.40	-97.69
COC1=CC(S(=O)(=O)[N-]C2=CON=C2C)=CC(C(=O)[O-])=C1OC	REAL300000471871	0	35	-2.0	-99.03	324.40	2.79	-96.24
COC1=CC=C(S(=O)(=O)[N-]C2=CON=C2C)C=C1C(=O)[O-]	REAL300000471872	0	31	-2.0	-104.46	293.38	3.05	-101.41
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000471873	0	37	-2.0	-103.10	321.33	5.61	-97.49
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000471874	0	36	-2.0	-101.69	319.99	4.99	-96.70
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CON=C1C	REAL300000471875	0	33	-2.0	-98.50	296.22	4.69	-93.81
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CON=C1C	REAL300000471876	0	34	-2.0	-103.88	316.53	3.55	-100.33
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000471877	0	29	-3.0	-170.21	294.50	3.55	-166.66
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000471878	0	34	-2.0	-103.30	310.34	4.87	-98.43
CC1=NOC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000471879	0	33	-2.0	-103.21	308.27	2.76	-100.45
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000471880	0	31	-2.0	-99.26	295.02	2.09	-97.17
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000471881	0	35	-2.0	-86.24	319.02	3.59	-82.65
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000471882	0	27	-2.0	-88.61	293.77	3.83	-84.78
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000471883	0	27	-2.0	-91.69	283.69	3.57	-88.12
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000471884	0	31	-2.0	-84.80	313.20	3.81	-80.99
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000471885	0	34	-2.0	-86.38	317.26	3.97	-82.41
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000471886	0	37	-2.0	-86.13	345.85	4.24	-81.89
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000471887	0	30	-2.0	-90.69	286.80	3.80	-86.89
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000471888	0	40	-2.0	-86.94	359.71	4.90	-82.04
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000471889	0	31	-2.0	-85.83	303.40	3.33	-82.50
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000471890	0	37	-2.0	-85.67	355.65	4.72	-80.95
CCOC1=CC=C(S(=O)(=O)[N-]C2=CON=C2C)C=C1C(=O)[O-]	REAL300000471891	0	34	-2.0	-105.07	315.24	3.96	-101.11
CC1=NOC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000471892	0	27	-2.0	-96.31	275.79	2.87	-93.44
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000471893	0	27	-2.0	-88.56	294.32	3.99	-84.57
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000471894	0	27	-2.0	-84.82	279.15	3.54	-81.28
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000471895	0	27	-2.0	-84.51	282.50	3.69	-80.82
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000471896	0	27	-2.0	-86.87	270.62	3.02	-83.85
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000471897	0	27	-2.0	-89.80	272.50	3.05	-86.75
CC1=NOC=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000471898	0	30	-2.0	-96.65	291.85	3.69	-92.96
COC1=CC(S(=O)(=O)[N-]C2=CON=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000471899	0	31	-2.0	-89.40	306.41	3.61	-85.79
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000471900	0	27	-2.0	-86.11	271.55	3.05	-83.06
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000471901	0	27	-2.0	-84.79	278.59	3.39	-81.40
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000471902	0	30	-2.0	-92.36	295.54	4.19	-88.17
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000471903	0	30	-2.0	-88.67	296.93	4.26	-84.41
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000471904	0	35	-2.0	-84.55	329.83	4.40	-80.15
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000471905	0	27	-2.0	-84.28	282.33	3.48	-80.80
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000471906	0	27	-2.0	-88.48	276.91	3.08	-85.40
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000471907	0	29	-2.0	-84.31	294.29	3.65	-80.66
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000471908	0	30	-2.0	-93.60	303.97	4.15	-89.45
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000471909	0	27	-2.0	-89.81	286.80	3.51	-86.30
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000471910	0	30	-2.0	-92.84	299.57	4.27	-88.57
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000471911	0	30	-2.0	-97.72	290.94	3.64	-94.08
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000471912	0	33	-2.0	-101.15	298.97	4.05	-97.10
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000471913	0	29	-2.0	-97.89	292.65	4.08	-93.81
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000471914	0	27	-2.0	-87.53	277.83	3.11	-84.42
CC1=NOC=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000471915	0	24	-2.0	-85.94	278.68	2.66	-83.28
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000471916	0	33	-2.0	-98.89	300.57	4.36	-94.53
CC1=NOC=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000471917	0	30	-2.0	-97.56	291.41	3.68	-93.88
CC1=NOC=C1[N-]S(=O)(=O)C1=C(Cl)C(C)=CC(C(=O)[O-])=C1	REAL300000471918	0	30	-2.0	-96.02	297.86	4.12	-91.90
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000471919	0	30	-2.0	-102.83	291.11	3.68	-99.15
COC1=CC(Br)=C(S(=O)(=O)[N-]C2=CON=C2C)C=C1C(=O)[O-]	REAL300000471920	0	31	-2.0	-99.78	309.77	3.76	-96.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CON=C2C)C=C1C(=O)[O-]	REAL300000471921	0	33	-2.0	-100.04	300.06	4.17	-95.87
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000471922	0	27	-2.0	-91.39	287.04	3.72	-87.67
COC1=CC=C(S(=O)(=O)[N-]C2=CON=C2C)C=C1CC(=O)[O-]	REAL300000471923	0	34	-2.0	-100.80	316.57	3.12	-97.68
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000471924	0	30	-2.0	-88.35	292.36	4.16	-84.19
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000471925	0	30	-2.0	-83.87	296.23	3.80	-80.07
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C(C)=C1	REAL300000471926	0	30	-2.0	-96.21	297.33	3.94	-92.27
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000471927	0	27	-2.0	-91.58	287.39	3.60	-87.98
CC1=NOC=C1[N-]S(=O)(=O)C1=C(Br)C(C)=CC(C(=O)[O-])=C1	REAL300000471928	0	30	-2.0	-95.78	300.67	4.26	-91.52
CC1=NOC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000471929	0	39	-2.0	-98.74	331.24	5.86	-92.88
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000471930	0	27	-2.0	-86.87	288.20	3.74	-83.13
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C(C(=O)[O-])=C1	REAL300000471931	0	27	-2.0	-89.01	297.98	3.94	-85.07
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000471932	0	27	-2.0	-86.69	291.70	3.54	-83.15
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000471933	0	31	-2.0	-86.02	310.79	3.29	-82.73
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000471934	0	30	-2.0	-93.13	299.87	4.05	-89.08
CC1=NOC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000471935	0	36	-2.0	-96.56	315.86	5.08	-91.48
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Br	REAL300000471936	0	27	-2.0	-90.05	295.02	4.08	-85.97
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CON=C2C)C=C1C(=O)[O-]	REAL300000471937	0	31	-2.0	-100.07	306.42	3.61	-96.46
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1C	REAL300000471938	0	33	-2.0	-92.49	318.54	4.89	-87.60
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000471939	0	32	-2.0	-91.43	309.35	5.18	-86.25
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000471940	0	30	-2.0	-97.89	285.62	3.82	-94.07
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000471941	0	29	-2.0	-105.24	289.84	4.85	-100.39
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000471942	0	27	-2.0	-102.16	269.73	3.01	-99.15
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000471943	0	30	-2.0	-91.42	291.05	3.66	-87.76
CC1=NOC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000471944	0	33	-2.0	-106.28	307.13	5.10	-101.18
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CON=C1C	REAL300000471945	0	31	-2.0	-90.81	294.29	2.79	-88.02
CC1=NOC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000471946	0	24	-2.0	-87.02	266.20	1.97	-85.05
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000471947	0	31	-2.0	-94.37	309.88	3.53	-90.84
CC1=NOC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000471948	0	30	-2.0	-89.78	309.44	0.02	-89.76
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000471949	0	34	-2.0	-93.39	312.22	4.87	-88.52
CC1=NOC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000471950	0	34	-2.0	-95.53	310.18	4.85	-90.68
CCC1=C(S(=O)(=O)[N-]C2=CON=C2C)C=C(C(=O)[O-])O1	REAL300000471951	0	30	-2.0	-93.11	288.22	2.97	-90.14
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000471952	1	37	-2.0	-101.31	336.33	5.90	-95.41
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C21	REAL300000471953	1	37	-2.0	-91.95	331.76	5.88	-86.07
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000471954	1	37	-2.0	-103.45	331.78	5.87	-97.58
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2C	REAL300000471955	0	41	-2.0	-107.89	359.92	5.67	-102.22
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=CC=C21	REAL300000471956	1	41	-2.0	-91.51	363.23	7.17	-84.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)C=C1C(=O)[O-]	REAL300000471957	1	40	-2.0	-104.40	347.81	6.41	-97.99
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=CC=C21	REAL300000471958	0	37	-2.0	-98.78	344.85	6.44	-92.34
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C21	REAL300000471959	1	37	-2.0	-99.51	344.30	6.27	-93.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)=C1C	REAL300000471960	1	43	-2.0	-105.91	364.44	7.23	-98.68
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=CC=C21	REAL300000471961	0	37	-2.0	-100.27	337.25	5.94	-94.33
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=CC=C21	REAL300000471962	1	43	-2.0	-90.36	375.34	7.46	-82.90
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C21	REAL300000471963	0	34	-2.0	-98.17	324.96	4.89	-93.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2C	REAL300000471964	1	40	-2.0	-103.84	347.20	6.66	-97.18
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=CC=C21	REAL300000471965	1	41	-2.0	-90.13	362.85	6.16	-83.97
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)C=C1C(=O)[O-]	REAL300000471966	0	38	-2.0	-101.97	338.42	5.23	-96.74
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2C	REAL300000471967	1	41	-2.0	-104.31	355.98	4.68	-99.63
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)=C1	REAL300000471968	0	37	-2.0	-94.59	340.88	5.56	-89.03
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)C=C1C(=O)[O-]	REAL300000471969	1	43	-2.0	-104.86	363.22	7.19	-97.67
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C21	REAL300000471970	0	34	-2.0	-99.57	323.43	4.90	-94.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)C=C1C(=O)[O-]	REAL300000471971	1	41	-2.0	-109.25	359.06	5.94	-103.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2C	REAL300000471972	1	43	-2.0	-102.34	359.85	7.51	-94.83
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=CC=C21	REAL300000471973	1	44	-2.0	-107.55	376.02	7.77	-99.78
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)C=C(C(=O)[O-])O1	REAL300000471974	0	37	-2.0	-97.86	334.78	5.02	-92.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)=C1	REAL300000471975	0	41	-2.0	-104.95	360.69	4.96	-99.99
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2C	REAL300000471976	1	40	-2.0	-95.32	352.07	6.71	-88.61
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)C=C(C(=O)[O-])S1	REAL300000471977	0	37	-2.0	-100.65	341.46	5.76	-94.89
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=CC=C21	REAL300000471978	0	37	-2.0	-89.54	344.82	6.43	-83.11
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C21	REAL300000471979	1	37	-2.0	-91.75	336.29	5.91	-85.84
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C21	REAL300000471980	0	34	-2.0	-93.47	324.03	5.00	-88.47
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000471981	0	37	-2.0	-94.70	338.17	5.94	-88.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)=C1F	REAL300000471982	0	40	-2.0	-101.52	357.53	6.58	-94.94
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=CC=C21	REAL300000471983	0	37	-2.0	-91.26	337.23	5.94	-85.32
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C21	REAL300000471984	1	37	-2.0	-89.62	344.26	6.27	-83.35
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=CC=C21	REAL300000471985	1	37	-2.0	-93.42	342.59	5.96	-87.46
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=CC=C21	REAL300000471986	0	38	-2.0	-102.76	341.48	3.60	-99.16
CN1C(=O)C=CC2=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=CC=C21	REAL300000471986	1	38	-2.0	-106.66	335.89	4.41	-102.25
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=CC=C21	REAL300000471987	1	40	-2.0	-94.48	353.95	6.66	-87.82
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2C	REAL300000471988	1	40	-2.0	-100.06	341.82	6.51	-93.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)=CC(C(=O)[O-])=C1F	REAL300000471989	1	40	-2.0	-102.64	356.61	6.52	-96.12
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2C	REAL300000471990	1	40	-2.0	-92.10	347.19	6.64	-85.46
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)=CC(C(=O)[O-])=C1C	REAL300000471991	1	43	-2.0	-106.21	364.66	6.94	-99.27
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=CC=C21	REAL300000471992	0	37	-2.0	-92.40	343.51	6.00	-86.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)C(C)=C1C(=O)[O-]	REAL300000471993	1	43	-2.0	-104.37	366.26	7.26	-97.11
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)C=C1C(=O)[O-]	REAL300000471994	0	40	-2.0	-102.43	357.09	6.57	-95.86
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)=C1	REAL300000471995	0	40	-2.0	-108.55	356.81	6.56	-101.99
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)C=C1C(=O)[O-]	REAL300000471996	1	43	-2.0	-104.99	365.71	7.06	-97.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)C=C1C(=O)[O-]	REAL300000471997	0	41	-2.0	-103.15	359.80	6.08	-97.07
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)=CC=C1C(=O)[O-]	REAL300000471998	1	40	-2.0	-92.04	347.79	6.42	-85.62
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2C	REAL300000471999	1	40	-2.0	-101.99	351.31	6.71	-95.28
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=CC=C21	REAL300000472000	0	37	-2.0	-107.87	335.40	5.90	-101.97
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)C=C1C(=O)[O-]	REAL300000472001	1	40	-2.0	-96.38	356.73	6.55	-89.83
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C21	REAL300000472002	0	36	-2.0	-99.96	328.76	3.93	-96.03
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2C	REAL300000472003	0	41	-2.0	-95.55	359.98	5.67	-89.88
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=CC=C21	REAL300000472004	0	34	-2.0	-91.95	331.88	4.85	-87.10
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=CC=C21	REAL300000472005	1	44	-2.0	-97.74	377.90	7.76	-89.98
CN1C(=O)C=CC2=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=CC=C21	REAL300000472006	1	44	-2.0	-100.94	375.86	7.74	-93.20
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3C)C=C(C(=O)[O-])O1	REAL300000472007	0	40	-2.0	-97.43	353.80	5.85	-91.58
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1C1=CC=C(C)C=C1	REAL300000472008	0	41	-2.0	-108.86	373.88	7.29	-101.57
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=C(C)C=C1	REAL300000472009	0	41	-2.0	-99.08	369.32	7.26	-91.82
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=C(C)C=C1	REAL300000472010	0	41	-2.0	-111.89	369.34	7.26	-104.63
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=NN1C1=CC=C(C)C=C1	REAL300000472011	0	45	-2.0	-98.61	400.79	8.56	-90.05
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC=C(C)C=C1	REAL300000472012	0	44	-2.0	-112.54	385.57	7.79	-104.75
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=NN1C1=CC=C(C)C=C1	REAL300000472013	0	47	-2.0	-115.30	402.00	8.61	-106.69
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=NN1C1=CC=C(C)C=C1	REAL300000472014	0	41	-2.0	-109.29	374.81	7.33	-101.96
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=NN1C1=CC=C(C)C=C1	REAL300000472015	0	47	-2.0	-98.04	412.90	8.85	-89.19
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C1=CC=C(C)C=C1	REAL300000472016	0	38	-2.0	-105.99	362.53	6.29	-99.70
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NN1C1=CC=C(C)C=C1	REAL300000472017	0	44	-2.0	-113.20	384.77	8.05	-105.15
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1C1=CC=C(C)C=C1	REAL300000472018	0	42	-2.0	-110.20	375.98	6.62	-103.58
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)N(C3=CC=C(C)C=C3)N=C2)=C1	REAL300000472019	0	41	-2.0	-101.87	378.45	6.94	-94.93
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=NN1C1=CC=C(C)C=C1	REAL300000472020	0	47	-2.0	-115.71	404.57	8.67	-107.04
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C1=CC=C(C)C=C1	REAL300000472021	0	38	-2.0	-107.11	360.99	6.30	-100.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N(C2=CC=C(C)C=C2)N=C1	REAL300000472022	0	47	-2.0	-111.43	399.46	8.98	-102.45
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=C(C)C=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000472023	0	41	-2.0	-105.98	372.34	6.41	-99.57
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=C(C)C=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000472024	0	41	-2.0	-109.55	377.96	7.16	-102.39
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=NN1C1=CC=C(C)C=C1	REAL300000472025	0	41	-2.0	-98.49	373.87	7.30	-91.19
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1=CC=C(C)C=C1	REAL300000472026	0	38	-2.0	-100.72	361.60	6.39	-94.33
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=NN1C1=CC=C(C)C=C1	REAL300000472027	0	41	-2.0	-102.26	375.77	7.32	-94.94
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=NN1C1=CC=C(C)C=C1	REAL300000472028	0	41	-2.0	-98.30	374.80	7.34	-90.96
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=NN1C1=CC=C(C)C=C1	REAL300000472029	0	42	-2.0	-112.42	379.06	4.98	-107.44
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1C1=CC=C(C)C=C1	REAL300000472030	0	44	-2.0	-102.85	391.51	8.04	-94.81
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NN1C1=CC=C(C)C=C1	REAL300000472031	0	44	-2.0	-107.13	379.20	7.89	-99.24
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NN1C1=CC=C(C)C=C1	REAL300000472032	0	44	-2.0	-99.38	384.75	8.05	-91.33
CC1=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC=C(C)C=C1	REAL300000472033	0	47	-2.0	-114.52	402.78	8.34	-106.18
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=NN1C1=CC=C(C)C=C1	REAL300000472034	0	47	-2.0	-111.41	402.94	8.67	-102.74
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=C(C)C=C3)N=C2)C=C1C(=O)[O-]	REAL300000472035	0	47	-2.0	-113.22	403.63	8.44	-104.78
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=C(C)C=C3)N=C2)C=C1C(=O)[O-]	REAL300000472036	0	45	-2.0	-111.52	397.37	7.49	-104.03
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C1=CC=C(C)C=C1	REAL300000472037	0	44	-2.0	-99.24	385.05	7.80	-91.44
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=NN1C1=CC=C(C)C=C1	REAL300000472038	0	41	-2.0	-114.80	372.98	7.28	-107.52
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1C1=CC=C(C)C=C1	REAL300000472039	0	40	-2.0	-109.30	366.34	5.34	-103.96
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=NN1C1=CC=C(C)C=C1	REAL300000472040	0	38	-2.0	-99.53	369.49	6.23	-93.30
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=C(C)C=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000472041	0	44	-2.0	-105.82	391.46	7.26	-98.56
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1C	REAL300000472042	1	42	-2.0	-88.32	380.81	5.19	-83.13
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(SC)=C1	REAL300000472044	0	43	-2.0	-105.90	383.97	7.70	-98.20
CSC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000472046	1	35	-2.0	-107.27	324.35	6.59	-100.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(SC)=C1	REAL300000472047	0	39	-2.0	-112.92	352.49	6.40	-106.52
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1C	REAL300000472048	1	39	-2.0	-94.30	355.80	7.90	-86.40
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1C	REAL300000472050	0	35	-2.0	-102.84	337.42	7.17	-95.67
CSC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000472051	1	35	-2.0	-103.09	336.86	6.99	-96.10
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C	REAL300000472053	0	35	-2.0	-104.61	329.83	6.66	-97.95
CSC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C	REAL300000472054	1	41	-2.0	-93.62	367.91	8.19	-85.43
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C	REAL300000472055	0	32	-2.0	-101.44	317.53	5.61	-95.83
CSC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000472058	1	36	-2.0	-105.68	331.00	5.96	-99.72
CSC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1C	REAL300000472060	0	35	-2.0	-97.60	333.47	6.29	-91.31
CSC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C	REAL300000472062	0	32	-2.0	-102.94	316.00	5.63	-97.31
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(SC)=C2)=CC(C(=O)[O-])=C1OC	REAL300000472063	1	43	-2.0	-107.48	382.66	6.41	-101.07
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1C	REAL300000472065	1	45	-2.0	-112.18	379.59	9.23	-102.95
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1C	REAL300000472066	1	44	-2.0	-110.48	378.25	8.60	-101.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(SC)=C1	REAL300000472067	1	41	-2.0	-106.47	354.50	8.32	-98.15
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(SC)=C1	REAL300000472068	0	42	-2.0	-113.47	374.78	7.17	-106.30
CSC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000472069	0	38	-2.0	-109.06	359.46	7.02	-102.04
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000472069	1	37	-3.0	-182.45	352.76	7.16	-175.29
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1C	REAL300000472070	1	42	-2.0	-112.51	368.62	8.50	-104.01
CSC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1C	REAL300000472071	0	35	-2.0	-101.07	327.36	5.74	-95.33
CSC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1C	REAL300000472072	1	41	-2.0	-112.05	366.51	6.37	-105.68
CSC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1C	REAL300000472073	0	39	-2.0	-108.26	353.34	5.69	-102.57
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1C	REAL300000472075	0	35	-2.0	-99.46	341.94	7.19	-92.27
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C	REAL300000472077	1	38	-2.0	-98.59	345.06	7.42	-91.17
CSC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1C	REAL300000472078	1	39	-2.0	-92.43	361.64	6.95	-85.48
CSC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1C	REAL300000472080	1	35	-2.0	-104.55	332.95	6.49	-98.06
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C	REAL300000472081	0	35	-2.0	-92.19	337.40	7.16	-85.03
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C	REAL300000472082	1	35	-2.0	-94.08	328.88	6.64	-87.44
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C	REAL300000472083	0	32	-2.0	-96.38	316.62	5.73	-90.65
CSC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000472084	1	35	-2.0	-98.02	330.75	6.67	-91.35
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1C	REAL300000472085	0	38	-2.0	-106.02	350.12	7.30	-98.72
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C	REAL300000472086	0	35	-2.0	-94.12	329.81	6.67	-87.45
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C	REAL300000472087	1	35	-2.0	-92.22	336.85	7.00	-85.22
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1C	REAL300000472088	1	38	-2.0	-100.34	353.79	7.80	-92.54
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1C	REAL300000472089	1	43	-2.0	-91.12	388.09	8.01	-83.11
CSC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000472090	1	35	-2.0	-96.07	335.17	6.69	-89.38
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C	REAL300000472091	1	37	-2.0	-92.17	352.54	7.27	-84.90
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C	REAL300000472092	0	36	-2.0	-107.08	334.07	4.31	-102.77
CSC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C	REAL300000472092	1	36	-2.0	-103.36	323.08	5.20	-98.16
CSC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C	REAL300000472093	1	38	-2.0	-98.37	346.52	7.39	-90.98
CSC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000472094	1	35	-2.0	-97.61	345.05	7.13	-90.48
CSC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1C	REAL300000472099	0	37	-2.0	-105.38	350.91	7.69	-97.69
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1C	REAL300000472100	0	35	-2.0	-96.11	336.10	6.73	-89.38
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1C	REAL300000472102	0	38	-2.0	-106.95	349.67	7.30	-99.65
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1C	REAL300000472103	0	38	-2.0	-104.63	356.10	7.74	-96.89
CSC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1C	REAL300000472104	0	38	-2.0	-112.13	349.39	7.29	-104.84
CSC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1C	REAL300000472107	1	38	-2.0	-96.58	350.61	7.78	-88.80
CSC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000472108	1	38	-2.0	-104.86	355.59	7.56	-97.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(SC)=C2)C=C1C(=O)[O-]	REAL300000472109	1	39	-2.0	-106.94	352.36	6.81	-100.13
CSC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000472111	1	38	-2.0	-101.74	358.09	7.67	-94.07
CSC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1C	REAL300000472112	1	44	-2.0	-104.18	373.79	8.73	-95.45
CSC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1C	REAL300000472114	0	40	-2.0	-99.87	367.61	8.79	-91.08
CSC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1C	REAL300000472116	0	37	-2.0	-114.42	348.08	8.45	-105.97
CSC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C	REAL300000472117	0	35	-2.0	-111.37	328.01	6.64	-104.73
CSC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000472118	1	38	-2.0	-99.91	349.29	7.28	-92.63
CSC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C	REAL300000472119	1	41	-2.0	-115.57	365.39	8.72	-106.85
CSC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C	REAL300000472120	0	34	-2.0	-104.46	321.34	4.65	-99.81
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(SC)=C1	REAL300000472121	0	39	-2.0	-99.05	352.55	6.40	-92.65
CSC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1C	REAL300000472122	0	32	-2.0	-94.85	324.50	5.58	-89.27
CSC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C	REAL300000472123	1	42	-2.0	-101.38	370.47	8.49	-92.89
CSC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C	REAL300000472124	1	42	-2.0	-104.85	369.81	8.48	-96.37
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(SC)=C2)C=C(C(=O)[O-])O1	REAL300000472125	0	38	-2.0	-100.97	346.48	6.59	-94.38
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=CC(F)=C(F)C=C32)=CC(C(=O)[O-])=C1	REAL300000472149	0	36	-2.0	-111.21	335.21	6.29	-104.92
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCOC3=CC(F)=C(F)C=C32)=C1	REAL300000472165	0	34	-2.0	-105.00	316.85	4.48	-100.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2=CC=CC=C2)C=C1	REAL300000472188	0	42	-2.0	-101.17	376.65	8.34	-92.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2=CC=CC=C2)=C1	REAL300000472189	0	42	-2.0	-114.38	376.68	8.33	-106.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000472190	0	45	-2.0	-115.72	392.69	8.87	-106.85
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2=CC=CC=C2)=C1	REAL300000472191	0	39	-2.0	-108.45	369.86	7.35	-101.10
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1=CC=CC=C1	REAL300000472192	0	45	-2.0	-114.51	392.11	9.12	-105.39
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000472193	0	43	-2.0	-112.60	383.32	7.68	-104.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2=CC=CC=C2)=CS1	REAL300000472194	0	39	-2.0	-109.86	368.32	7.37	-102.49
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000472195	0	42	-2.0	-107.34	379.68	7.47	-99.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2=CC=CC=C2)S1	REAL300000472196	0	39	-2.0	-103.03	368.94	7.46	-95.57
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2=CC=CC=C2)=C1	REAL300000472197	0	43	-2.0	-113.02	386.39	6.04	-106.98
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2=CC=CC=C2)C=C1	REAL300000472198	0	45	-2.0	-104.75	398.85	9.11	-95.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1=CC=CC=C1	REAL300000472199	0	45	-2.0	-110.55	386.71	8.98	-101.57
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OCC1=CC=CC=C1	REAL300000472200	0	45	-2.0	-100.99	392.09	9.11	-91.88
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000472201	0	45	-2.0	-102.88	396.74	8.98	-93.90
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2=CC=CC=C2)=C1	REAL300000472202	0	41	-2.0	-112.35	372.88	6.45	-105.90
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000472204	1	34	-2.0	-102.25	328.52	7.14	-95.11
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000472206	0	31	-2.0	-96.72	321.70	6.15	-90.57
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000472207	1	37	-2.0	-103.49	343.95	7.93	-95.56
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000472208	1	35	-2.0	-100.61	335.16	6.49	-94.12
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000472209	0	31	-2.0	-98.16	320.17	6.17	-91.99
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000472210	0	34	-2.0	-96.60	331.52	6.27	-90.33
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000472211	0	31	-2.0	-91.77	320.78	6.26	-85.51
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000472212	1	37	-2.0	-93.64	350.69	7.92	-85.72
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000472213	1	37	-2.0	-97.96	338.55	7.78	-90.18
CCC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000472216	0	33	-2.0	-100.17	324.73	5.25	-94.92
CC1(C)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300000472240	0	41	-2.0	-113.61	368.33	8.68	-104.93
CC1(C)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC(F)=CC=C21	REAL300000472259	0	39	-2.0	-112.99	338.39	6.79	-106.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2=NC=CC=N2)C=C1	REAL300000472289	1	37	-2.0	-100.43	357.02	6.75	-93.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC2=NC=CC=N2)=C1	REAL300000472290	0	37	-2.0	-111.47	357.05	6.75	-104.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2SC2=NC=CC=N2)=C1	REAL300000472291	0	34	-2.0	-106.31	350.22	5.77	-100.54
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2=NC=CC=N2)C=C1C(=O)[O-]	REAL300000472292	0	38	-2.0	-110.51	363.67	6.10	-104.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2SC2=NC=CC=N2)=CS1	REAL300000472293	0	34	-2.0	-109.23	348.68	5.78	-103.45
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2=NC=CC=N2)C=C(C(=O)[O-])O1	REAL300000472294	0	37	-2.0	-106.22	360.01	5.90	-100.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2SC2=NC=CC=N2)S1	REAL300000472295	0	34	-2.0	-101.89	349.27	5.89	-96.00
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2SC2=NC=CC=N2)=C1	REAL300000472296	0	36	-2.0	-109.57	354.03	4.81	-104.76
CC(C)C1=CC=CC(N(CCO)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000472330	0	45	-2.0	-110.09	381.58	4.64	-105.45
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1OC	REAL300000472350	0	38	-2.0	-107.34	353.81	5.81	-101.53
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1OC	REAL300000472351	0	38	-2.0	-97.03	349.34	5.78	-91.25
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1OC	REAL300000472352	0	38	-2.0	-108.54	349.29	5.77	-102.77
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1OC	REAL300000472353	0	42	-2.0	-114.12	377.49	5.58	-108.54
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1OC	REAL300000472354	0	42	-2.0	-96.39	380.81	7.08	-89.31
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1OC	REAL300000472355	0	41	-2.0	-109.64	365.30	6.32	-103.32
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1OC	REAL300000472356	0	38	-2.0	-104.43	362.43	6.34	-98.09
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1OC	REAL300000472357	0	38	-2.0	-104.46	361.79	6.17	-98.29
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1OC	REAL300000472358	0	44	-2.0	-111.89	382.02	7.13	-104.76
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1OC	REAL300000472359	0	38	-2.0	-106.07	354.81	5.83	-100.24
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1OC	REAL300000472360	0	44	-2.0	-95.65	392.93	7.36	-88.29
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1OC	REAL300000472361	0	35	-2.0	-104.05	342.55	4.79	-99.26
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1OC	REAL300000472362	0	41	-2.0	-109.78	364.79	6.56	-103.22
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1OC	REAL300000472363	0	42	-2.0	-94.91	380.44	6.05	-88.86
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1OC	REAL300000472364	0	39	-2.0	-108.05	355.94	5.12	-102.93
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1OC	REAL300000472365	0	42	-2.0	-110.36	373.14	4.61	-105.75
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1OC	REAL300000472366	0	38	-2.0	-99.61	358.47	5.45	-94.16
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1OC	REAL300000472367	0	44	-2.0	-110.94	380.82	7.10	-103.84
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1OC	REAL300000472368	0	35	-2.0	-105.46	340.95	4.81	-100.65
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1OC	REAL300000472369	0	42	-2.0	-115.67	376.56	5.84	-109.83
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)OC)=C1OC	REAL300000472370	0	44	-2.0	-107.85	371.86	7.26	-100.59
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1OC	REAL300000472371	0	38	-2.0	-102.22	352.31	4.91	-97.31
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1OC	REAL300000472372	0	42	-2.0	-110.44	378.28	4.86	-105.58
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1OC	REAL300000472373	0	41	-2.0	-100.56	370.07	6.59	-93.97
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1OC	REAL300000472374	0	38	-2.0	-106.15	359.05	5.66	-100.49
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1OC	REAL300000472375	0	38	-2.0	-94.58	362.36	6.35	-88.23
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1OC	REAL300000472376	0	38	-2.0	-96.55	353.79	5.82	-90.73
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1OC	REAL300000472377	0	35	-2.0	-98.82	341.56	4.90	-93.92
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1OC	REAL300000472378	0	38	-2.0	-99.73	355.69	5.84	-93.89
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1OC	REAL300000472379	0	41	-2.0	-106.84	375.05	6.47	-100.37
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1OC	REAL300000472380	0	38	-2.0	-96.69	354.77	5.85	-90.84
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1OC	REAL300000472381	0	38	-2.0	-94.57	361.76	6.18	-88.39
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1OC	REAL300000472382	0	39	-2.0	-108.10	359.07	3.48	-104.62
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1OC	REAL300000472383	0	41	-2.0	-101.71	371.53	6.55	-95.16
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1OC	REAL300000472384	0	41	-2.0	-106.50	359.35	6.41	-100.09
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1OC	REAL300000472385	0	41	-2.0	-107.53	374.12	6.43	-101.10
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1OC	REAL300000472386	0	41	-2.0	-97.14	364.77	6.55	-90.59
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1OC	REAL300000472387	0	44	-2.0	-112.78	382.76	6.86	-105.92
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1OC	REAL300000472388	0	44	-2.0	-109.91	382.89	7.19	-102.72
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1OC	REAL300000472389	0	41	-2.0	-108.42	374.67	6.46	-101.96
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1OC	REAL300000472390	0	41	-2.0	-114.09	374.39	6.47	-107.62
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2OC)C=C1C(=O)[O-]	REAL300000472391	0	44	-2.0	-110.33	383.61	6.96	-103.37
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2OC)C=C1C(=O)[O-]	REAL300000472392	0	42	-2.0	-108.36	377.23	5.98	-102.38
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1OC	REAL300000472393	0	41	-2.0	-97.16	365.29	6.32	-90.84
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1OC	REAL300000472394	0	41	-2.0	-107.57	368.89	6.63	-100.94
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1OC	REAL300000472395	0	38	-2.0	-113.29	352.99	5.80	-107.49
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1OC	REAL300000472396	0	41	-2.0	-101.38	370.46	6.35	-95.03
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1OC	REAL300000472397	0	37	-2.0	-105.53	346.28	3.84	-101.69
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1OC	REAL300000472398	0	42	-2.0	-100.97	377.56	5.57	-95.40
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1OC	REAL300000472399	0	35	-2.0	-96.71	349.41	4.75	-91.96
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2OC)C=C(C(=O)[O-])O1	REAL300000472400	0	41	-2.0	-102.76	368.47	5.67	-97.09
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1	REAL300000472403	1	41	-2.0	-111.58	343.54	7.99	-103.59
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCCCC2=C1	REAL300000472404	0	45	-2.0	-117.42	371.73	7.79	-109.63
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1	REAL300000472407	0	41	-2.0	-107.07	356.66	8.57	-98.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=CC=C1Cl	REAL300000472408	1	41	-2.0	-107.52	356.05	8.38	-99.14
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1	REAL300000472410	0	41	-2.0	-108.95	349.07	8.06	-100.89
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)C=C1	REAL300000472411	1	47	-2.0	-97.37	387.12	9.57	-87.80
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1	REAL300000472412	0	38	-2.0	-105.58	336.77	7.01	-98.57
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)C=C1C(=O)[O-]	REAL300000472415	1	42	-2.0	-109.88	350.19	7.34	-102.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1	REAL300000472417	0	41	-2.0	-101.74	352.65	7.66	-94.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=CS1	REAL300000472419	1	38	-2.0	-107.31	335.18	7.02	-100.29
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCCCC2=C1	REAL300000472424	0	48	-2.0	-118.16	394.01	8.56	-109.60
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3CCCCCC3=C2)=C1	REAL300000472425	0	44	-2.0	-108.55	374.56	8.52	-100.03
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1	REAL300000472425	1	43	-3.0	-188.09	371.94	8.55	-179.54
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)C=C(C(=O)[O-])O1	REAL300000472427	0	41	-2.0	-104.88	346.54	7.13	-97.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1	REAL300000472428	0	45	-2.0	-112.68	372.52	7.08	-105.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C(Cl)C=C1F	REAL300000472429	0	41	-2.0	-103.44	361.17	8.58	-94.86
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCCCC2=C1	REAL300000472431	1	44	-2.0	-102.57	364.25	8.81	-93.76
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)C=C1F	REAL300000472432	1	45	-2.0	-95.94	380.84	8.33	-87.61
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)C=C(C(=O)[O-])S1	REAL300000472434	1	41	-2.0	-108.58	352.16	7.88	-100.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)C(Cl)=C1	REAL300000472435	1	41	-2.0	-95.97	356.58	8.55	-87.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)C=C1F	REAL300000472436	1	41	-2.0	-97.85	348.07	8.03	-89.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)S1	REAL300000472437	0	38	-2.0	-100.44	335.83	7.12	-93.32
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1	REAL300000472438	1	41	-2.0	-102.09	349.95	8.06	-94.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1F	REAL300000472439	0	44	-2.0	-110.74	369.28	8.68	-102.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)C(F)=C1	REAL300000472440	0	41	-2.0	-98.08	348.99	8.06	-90.02
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCCCC2=C1	REAL300000472442	1	44	-2.0	-104.33	372.98	9.19	-95.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=CC(F)=C1F	REAL300000472443	1	41	-2.0	-100.21	354.37	8.08	-92.13
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1	REAL300000472444	1	43	-2.0	-96.26	371.74	8.65	-87.61
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1	REAL300000472445	0	42	-2.0	-111.26	353.30	5.71	-105.55
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CCCCCC3=C2)=C1	REAL300000472445	1	42	-2.0	-109.21	352.44	6.50	-102.71
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)C=C1	REAL300000472446	1	44	-2.0	-102.46	365.73	8.76	-93.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=CC(Cl)=C1F	REAL300000472447	1	41	-2.0	-101.77	364.26	8.52	-93.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000472452	1	43	-2.0	-109.02	370.11	9.09	-99.93
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1	REAL300000472453	0	41	-2.0	-100.44	355.29	8.11	-92.33
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)C=C1C(=O)[O-]	REAL300000472455	0	44	-2.0	-110.23	365.05	8.60	-101.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1Cl	REAL300000472456	0	44	-2.0	-109.27	375.31	9.13	-100.14
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1	REAL300000472457	0	44	-2.0	-116.72	368.56	8.68	-108.04
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2CCCCCC2=C1	REAL300000472460	1	44	-2.0	-100.92	369.80	9.16	-91.76
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000472461	1	44	-2.0	-109.41	374.75	8.95	-100.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)C=C1C(=O)[O-]	REAL300000472462	1	45	-2.0	-111.20	371.56	8.21	-102.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1[N+](=O)[O-]	REAL300000472466	0	43	-2.0	-119.36	367.31	9.85	-109.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1F	REAL300000472467	0	41	-2.0	-116.28	347.20	8.02	-108.26
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)C=C1C(=O)[O-]	REAL300000472468	1	44	-2.0	-104.03	368.47	8.67	-95.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=CC2=CC=CC=C21	REAL300000472469	1	47	-2.0	-120.54	384.57	10.11	-110.43
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C1	REAL300000472470	0	40	-2.0	-108.79	340.53	6.04	-102.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCCCCC2=C1	REAL300000472471	0	45	-2.0	-103.17	371.74	7.78	-95.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)=C(Cl)O1	REAL300000472472	0	38	-2.0	-98.75	343.69	6.96	-91.79
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCCCCC4=C3)C=C2)CC1	REAL300000472473	1	48	-2.0	-105.36	389.66	9.88	-95.48
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCCCCC4=C3)C=C2C1	REAL300000472474	1	48	-2.0	-109.33	389.00	9.87	-99.46
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCCCCC3=C2)C=C(C(=O)[O-])O1	REAL300000472475	0	44	-2.0	-105.06	365.66	7.97	-97.09
CC1=CC(C)=C2OCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C2=C1	REAL300000472499	0	42	-2.0	-111.73	363.94	7.59	-104.14
CC1=CC(C)=C2OCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000472519	0	40	-2.0	-109.70	345.56	5.79	-103.91
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NN1C1=CC=C(F)C=C1	REAL300000472550	0	38	-2.0	-104.77	357.53	6.65	-98.12
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=C(F)C=C1	REAL300000472551	0	38	-2.0	-94.90	354.35	6.66	-88.24
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=C(F)C=C1	REAL300000472552	0	38	-2.0	-106.74	353.00	6.62	-100.12
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC=C(F)C=C1	REAL300000472553	0	41	-2.0	-107.86	370.58	7.19	-100.67
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=NN1C1=CC=C(F)C=C1	REAL300000472554	0	38	-2.0	-104.38	358.47	6.69	-97.69
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NN1C1=CC=C(F)C=C1	REAL300000472555	0	35	-2.0	-101.22	346.18	5.65	-95.57
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=NN1C1=CC=C(F)C=C1	REAL300000472556	0	41	-2.0	-108.20	368.43	7.40	-100.80
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NN1C1=CC=C(F)C=C1	REAL300000472557	0	39	-2.0	-105.71	361.00	6.01	-99.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)N(C3=CC=C(F)C=C3)N=C2)=C1	REAL300000472558	0	38	-2.0	-97.56	363.47	6.33	-91.23
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NN1C1=CC=C(F)C=C1	REAL300000472559	0	35	-2.0	-102.92	344.65	5.65	-97.27
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=C(F)C=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000472560	0	38	-2.0	-101.28	356.00	5.77	-95.51
CC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=C(F)C=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000472561	0	38	-2.0	-105.26	362.98	6.55	-98.71
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=NN1C1=CC=C(F)C=C1	REAL300000472562	0	38	-2.0	-94.42	358.89	6.69	-87.73
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NN1C1=CC=C(F)C=C1	REAL300000472563	0	35	-2.0	-96.45	346.62	5.78	-90.67
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=NN1C1=CC=C(F)C=C1	REAL300000472564	0	38	-2.0	-97.85	360.77	6.71	-91.14
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=NN1C1=CC=C(F)C=C1	REAL300000472565	0	38	-2.0	-93.99	358.46	6.69	-87.30
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=NN1C1=CC=C(F)C=C1	REAL300000472566	0	39	-2.0	-107.49	362.71	4.34	-103.15
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NN1C1=CC=C(F)C=C1	REAL300000472567	0	41	-2.0	-98.50	376.53	7.43	-91.07
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=NN1C1=CC=C(F)C=C1	REAL300000472568	0	41	-2.0	-102.70	363.03	7.26	-95.44
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=NN1C1=CC=C(F)C=C1	REAL300000472569	0	41	-2.0	-95.03	368.41	7.39	-87.64
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=C(F)C=C3)N=C2)C=C1C(=O)[O-]	REAL300000472570	0	42	-2.0	-106.97	382.37	6.88	-100.09
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C1=CC=C(F)C=C1	REAL300000472571	0	41	-2.0	-94.92	370.06	7.20	-87.72
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=NN1C1=CC=C(F)C=C1	REAL300000472572	0	38	-2.0	-110.06	358.00	6.67	-103.39
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NN1C1=CC=C(F)C=C1	REAL300000472573	0	37	-2.0	-104.56	349.17	4.74	-99.82
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=NN1C1=CC=C(F)C=C1	REAL300000472574	0	35	-2.0	-95.07	353.09	5.60	-89.47
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(C3=CC=C(F)C=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000472575	0	41	-2.0	-101.16	375.13	6.62	-94.54
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000472576	1	36	-2.0	-100.77	348.92	4.88	-95.89
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1OC	REAL300000472577	1	36	-2.0	-91.33	344.37	4.86	-86.47
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000472578	1	36	-2.0	-103.07	344.38	4.85	-98.22
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC(Cl)=C1OC	REAL300000472579	1	40	-2.0	-91.31	375.84	6.15	-85.16
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000472580	1	39	-2.0	-104.60	360.40	5.39	-99.21
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC(Cl)=C1OC	REAL300000472581	1	42	-2.0	-107.21	377.06	6.20	-101.01
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(Cl)=C1OC	REAL300000472582	0	36	-2.0	-100.98	349.86	4.92	-96.06
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC(Cl)=C1OC	REAL300000472583	1	42	-2.0	-90.45	387.96	6.44	-84.01
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(Cl)=C1OC	REAL300000472584	0	33	-2.0	-97.89	337.57	3.87	-94.02
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(Cl)=C1OC	REAL300000472585	1	39	-2.0	-105.16	359.82	5.64	-99.52
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000472586	0	37	-2.0	-101.90	351.03	4.21	-97.69
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC(Cl)=C1OC	REAL300000472587	0	36	-2.0	-94.04	353.49	4.54	-89.50
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000472589	0	33	-2.0	-99.33	336.03	3.90	-95.43
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(OC)C(OC)=C1	REAL300000472590	1	42	-2.0	-103.84	374.52	6.57	-97.27
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000472591	0	36	-2.0	-97.80	347.39	4.00	-93.80
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000472592	0	36	-2.0	-101.62	352.98	4.74	-96.88
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(Cl)=C1OC	REAL300000472593	1	36	-2.0	-90.89	348.90	4.89	-86.00
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(Cl)=C1OC	REAL300000472594	0	33	-2.0	-92.80	336.65	3.98	-88.82
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000472595	1	36	-2.0	-94.52	350.79	4.91	-89.61
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(Cl)=C1OC	REAL300000472596	0	36	-2.0	-90.43	349.85	4.93	-85.50
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(Cl)=C1OC	REAL300000472597	0	37	-2.0	-104.18	354.10	2.56	-101.62
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(Cl)=C1OC	REAL300000472597	1	37	-2.0	-101.68	343.11	3.44	-98.24
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(Cl)=C1OC	REAL300000472598	1	39	-2.0	-94.94	366.56	5.64	-89.30
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(Cl)=C1OC	REAL300000472599	1	39	-2.0	-99.07	354.43	5.48	-93.59
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000472601	1	42	-2.0	-107.77	381.88	6.04	-101.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(OC)C(OC)=C2)C=C1C(=O)[O-]	REAL300000472603	1	42	-2.0	-105.32	378.35	6.04	-99.28
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(OC)C(OC)=C2)C=C1C(=O)[O-]	REAL300000472604	0	40	-2.0	-103.12	372.40	5.08	-98.04
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(Cl)=C1OC	REAL300000472605	1	39	-2.0	-91.38	360.39	5.40	-85.98
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(Cl)=C1OC	REAL300000472606	0	36	-2.0	-106.51	348.04	4.89	-101.62
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(Cl)=C1OC	REAL300000472607	0	35	-2.0	-100.73	340.60	2.98	-97.75
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300000472608	0	33	-2.0	-91.53	344.52	3.83	-87.70
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(OC)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000472609	0	39	-2.0	-97.83	366.51	4.85	-92.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=CC=C1F	REAL300000472610	0	34	-2.0	-115.07	338.96	6.85	-108.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1	REAL300000472611	0	34	-2.0	-104.70	334.42	6.83	-97.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000472612	0	34	-2.0	-118.15	334.43	6.82	-111.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(C2=CC=CC=C2)=N1	REAL300000472613	0	38	-2.0	-124.11	362.57	6.63	-117.48
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1	REAL300000472614	0	38	-2.0	-104.08	365.88	8.11	-95.97
CC1=CC=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1C(=O)[O-]	REAL300000472615	0	37	-2.0	-119.45	350.45	7.35	-112.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=C1C	REAL300000472616	0	40	-2.0	-121.29	367.10	8.18	-113.11
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000472617	0	34	-2.0	-115.65	339.91	6.88	-108.77
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1	REAL300000472618	0	40	-2.0	-103.54	378.00	8.41	-95.13
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000472619	0	31	-2.0	-111.99	327.62	5.84	-106.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(C2=CC=CC=C2)=N1	REAL300000472620	0	37	-2.0	-119.07	349.86	7.60	-111.47
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1	REAL300000472621	0	38	-2.0	-102.77	365.50	7.10	-95.67
CN1C=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1C(=O)[O-]	REAL300000472622	0	35	-2.0	-116.29	341.08	6.17	-110.12
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(C2=CC=CC=C2)=N1	REAL300000472623	0	38	-2.0	-119.33	358.64	5.64	-113.69
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000472624	0	34	-2.0	-107.81	343.54	6.49	-101.32
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1C(=O)[O-]	REAL300000472625	0	40	-2.0	-120.45	365.88	8.14	-112.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=CS1	REAL300000472626	0	31	-2.0	-113.45	326.09	5.83	-107.62
COC1=CC=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1C(=O)[O-]	REAL300000472627	0	38	-2.0	-123.94	361.72	6.89	-117.05
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(C2=CC=CC=C2)=N1	REAL300000472628	0	40	-2.0	-117.40	364.57	8.56	-108.84
CC1=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C(C(=O)[O-])O1	REAL300000472629	0	34	-2.0	-111.35	337.44	5.96	-105.39
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000472630	0	38	-2.0	-119.27	363.35	5.91	-113.36
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(C2=CC=CC=C2)=N1	REAL300000472631	0	37	-2.0	-109.05	355.14	7.64	-101.41
CC1=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C(C(=O)[O-])S1	REAL300000472632	0	34	-2.0	-115.12	343.06	6.70	-108.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C(Cl)=C1	REAL300000472633	0	34	-2.0	-102.15	347.48	7.38	-94.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1F	REAL300000472634	0	34	-2.0	-103.82	338.97	6.86	-96.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)S1	REAL300000472635	0	31	-2.0	-106.58	326.69	5.95	-100.63
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000472636	0	34	-2.0	-108.52	340.84	6.89	-101.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=C1F	REAL300000472637	0	37	-2.0	-117.19	360.19	7.52	-109.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C(F)=C1	REAL300000472638	0	34	-2.0	-104.28	339.90	6.89	-97.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1Cl	REAL300000472639	0	34	-2.0	-102.14	346.94	7.21	-94.93
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000472640	0	35	-2.0	-118.07	344.15	4.55	-113.52
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1	REAL300000472641	0	37	-2.0	-108.66	356.60	7.60	-101.06
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CSC(C2=CC=CC=C2)=N1	REAL300000472642	0	37	-2.0	-114.08	344.50	7.45	-106.63
CC1=CC(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=CC(C(=O)[O-])=C1F	REAL300000472643	0	37	-2.0	-116.50	359.27	7.47	-109.03
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CSC(C2=CC=CC=C2)=N1	REAL300000472644	0	37	-2.0	-104.82	349.84	7.59	-97.23
CC1=CC(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=CC(C(=O)[O-])=C1C	REAL300000472645	0	40	-2.0	-122.87	371.23	7.99	-114.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000472646	0	34	-2.0	-106.79	346.19	6.94	-99.85
CC1=CC=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C(C)=C1C(=O)[O-]	REAL300000472647	0	40	-2.0	-118.25	368.91	8.21	-110.04
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1C(=O)[O-]	REAL300000472648	0	37	-2.0	-116.96	355.93	7.41	-109.55
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000472649	0	37	-2.0	-123.18	359.45	7.50	-115.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1C(=O)[O-]	REAL300000472650	0	40	-2.0	-120.25	368.40	8.01	-112.24
CCN1C=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1C(=O)[O-]	REAL300000472651	0	38	-2.0	-117.60	362.46	7.04	-110.56
CC1=CC(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=CC=C1C(=O)[O-]	REAL300000472652	0	37	-2.0	-106.46	354.48	7.47	-98.99
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(C2=CC=CC=C2)=N1	REAL300000472653	0	37	-2.0	-116.26	353.97	7.66	-108.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=C1F	REAL300000472654	0	34	-2.0	-122.29	338.09	6.86	-115.43
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C1C(=O)[O-]	REAL300000472655	0	37	-2.0	-109.45	355.60	7.39	-102.06
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000472656	0	33	-2.0	-115.87	330.65	4.94	-110.93
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CSC(C2=CC=CC=C2)=N1	REAL300000472657	0	38	-2.0	-109.37	362.63	6.63	-102.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)=C(Cl)O1	REAL300000472658	0	31	-2.0	-104.98	334.57	5.79	-99.19
CCC1=C(S(=O)(=O)[N-]C2=CSC(C3=CC=CC=C3)=N2)C=C(C(=O)[O-])O1	REAL300000472659	0	37	-2.0	-111.29	356.56	6.82	-104.47
CC(C)(C)OC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000472660	1	43	-2.0	-106.14	379.89	7.75	-98.39
CC(C)(C)OC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000472661	1	43	-2.0	-96.27	375.34	7.73	-88.54
CC(C)(C)OC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000472662	1	43	-2.0	-108.48	375.35	7.72	-100.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000472663	1	46	-2.0	-109.58	391.36	8.25	-101.33
CC(C)(C)OC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000472664	0	43	-2.0	-105.05	380.82	7.78	-97.27
CC(C)(C)OC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000472665	0	40	-2.0	-102.87	368.53	6.73	-96.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)OC(C)(C)C)=C1	REAL300000472666	1	46	-2.0	-108.46	390.77	8.51	-99.95
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000472667	0	44	-2.0	-106.99	381.99	7.07	-99.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC(C)(C)C)=C2)=C1	REAL300000472668	0	43	-2.0	-99.15	384.45	7.40	-91.75
CC(C)(C)OC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000472669	0	40	-2.0	-104.30	366.99	6.75	-97.55
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000472670	0	43	-2.0	-101.90	378.38	6.86	-95.04
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC(C)(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000472671	0	43	-2.0	-104.90	385.04	7.61	-97.29
CC(C)(C)OC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000472672	1	43	-2.0	-95.86	379.87	7.76	-88.10
CC(C)(C)OC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000472673	0	40	-2.0	-97.93	367.62	6.84	-91.09
CC(C)(C)OC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000472674	1	43	-2.0	-99.46	381.76	7.78	-91.68
CC(C)(C)OC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000472675	0	43	-2.0	-95.82	380.81	7.79	-88.03
CC(C)(C)OC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000472676	0	44	-2.0	-107.00	385.04	5.45	-101.55
CC(C)(C)OC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000472676	1	44	-2.0	-107.60	384.16	6.30	-101.30
CC(C)(C)OC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000472677	1	46	-2.0	-98.97	397.53	8.49	-90.48
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)OC(C)(C)C)=C1	REAL300000472678	1	46	-2.0	-105.59	385.41	8.36	-97.23
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)OC(C)(C)C)=C1	REAL300000472679	1	46	-2.0	-96.22	390.76	8.49	-87.73
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000472680	0	47	-2.0	-108.30	403.48	7.93	-100.37
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC(C)(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000472681	1	46	-2.0	-96.39	391.35	8.26	-88.13
CC(C)(C)OC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000472682	0	43	-2.0	-113.70	379.00	7.75	-105.95
CC(C)(C)OC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000472683	0	42	-2.0	-104.53	372.33	5.77	-98.76
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000472684	0	46	-2.0	-101.59	397.48	7.70	-93.89
COC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000472713	0	38	-2.0	-110.82	347.46	6.17	-104.65
COC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000472742	0	36	-2.0	-109.06	312.69	4.30	-104.76
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(F)F)=CC=C1F	REAL300000472782	1	35	-2.0	-119.07	329.76	5.90	-113.17
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)=C1	REAL300000472785	1	31	-2.0	-108.86	314.69	6.66	-102.20
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)=C1	REAL300000472788	1	31	-2.0	-110.91	307.08	6.16	-104.75
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)=C1	REAL300000472790	0	28	-2.0	-104.15	292.81	5.07	-99.08
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)=C1	REAL300000472795	1	31	-2.0	-104.00	310.73	5.79	-98.21
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(F)F)=CC=C1F	REAL300000472802	1	38	-2.0	-118.71	352.04	6.67	-112.04
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(C(F)F)=CC=C2F)=CC(C(=O)[O-])=C1	REAL300000472803	0	34	-2.0	-111.48	332.56	6.44	-105.04
CC1=C(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000472805	1	31	-2.0	-103.94	302.62	5.19	-98.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)=C1	REAL300000472806	1	35	-2.0	-109.60	328.53	5.13	-104.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)S1	REAL300000472815	1	28	-2.0	-98.43	291.88	5.17	-93.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)=C1F	REAL300000472817	1	34	-2.0	-108.68	325.37	6.74	-101.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)C(F)=C1	REAL300000472818	1	31	-2.0	-96.02	305.08	6.10	-89.92
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(C(F)F)=CC=C2F)=C1	REAL300000472823	0	32	-2.0	-113.14	313.99	4.56	-108.58
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)=C1	REAL300000472831	1	31	-2.0	-98.65	311.37	6.16	-92.49
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)C=C1C(=O)[O-]	REAL300000472833	1	34	-2.0	-113.34	326.93	6.79	-106.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)=C1Cl	REAL300000472834	1	34	-2.0	-107.32	331.38	7.17	-100.15
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)=C1	REAL300000472835	1	34	-2.0	-113.38	324.65	6.72	-106.66
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)=C1[N+](=O)[O-]	REAL300000472844	0	33	-2.0	-121.02	325.34	7.95	-113.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)=C1F	REAL300000472845	1	31	-2.0	-118.08	305.25	6.12	-111.96
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)=C1	REAL300000472848	0	30	-2.0	-107.05	296.59	4.12	-102.93
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(F)F)=CC=C1F	REAL300000472849	1	35	-2.0	-101.18	327.82	5.83	-95.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)=C(Cl)O1	REAL300000472850	1	28	-2.0	-97.51	299.72	5.03	-92.48
CCC1=C(S(=O)(=O)[N-]C2=CC(C(F)F)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000472853	1	34	-2.0	-103.94	321.73	6.03	-97.91
CC1=CC=C(N(CC(C)C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1	REAL300000472887	0	47	-2.0	-110.60	376.21	8.83	-101.77
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1	REAL300000472907	0	44	-2.0	-90.14	380.72	0.52	-89.62
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=CC=C1F	REAL300000472908	0	37	-2.0	-113.03	333.53	2.10	-110.93
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CC2CCC1O2	REAL300000472909	0	45	-2.0	-112.86	388.61	3.14	-109.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1	REAL300000472910	0	37	-2.0	-96.89	324.24	1.94	-94.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472911	0	37	-2.0	-116.45	328.99	2.04	-114.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CC2CCC1O2	REAL300000472912	0	41	-2.0	-119.80	357.13	1.85	-117.95
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1	REAL300000472913	0	41	-2.0	-96.08	355.72	3.23	-92.85
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1C(=O)[O-]	REAL300000472914	0	40	-2.0	-117.63	345.02	2.58	-115.05
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472915	0	37	-2.0	-109.58	342.07	2.63	-106.95
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=CC=C1Cl	REAL300000472916	0	37	-2.0	-111.36	341.50	2.46	-108.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1C	REAL300000472917	0	43	-2.0	-117.12	361.38	3.34	-113.78
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472918	0	37	-2.0	-111.29	334.48	2.13	-109.16
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1	REAL300000472919	0	43	-2.0	-94.96	367.83	3.52	-91.44
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472920	0	34	-2.0	-109.94	322.18	1.09	-108.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CC2CCC1O2	REAL300000472921	0	40	-2.0	-115.17	344.41	2.81	-112.36
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1	REAL300000472922	0	41	-2.0	-94.86	355.33	2.22	-92.64
CN1C=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1C(=O)[O-]	REAL300000472923	0	38	-2.0	-115.22	335.63	1.40	-113.82
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CC2CCC1O2	REAL300000472924	0	41	-2.0	-114.09	353.20	0.88	-113.21
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472925	0	37	-2.0	-106.32	338.12	1.73	-104.59
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1C(=O)[O-]	REAL300000472926	0	43	-2.0	-116.58	360.03	3.30	-113.28
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=CS1	REAL300000472927	0	34	-2.0	-104.72	315.92	0.96	-103.76
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1C(=O)[O-]	REAL300000472928	0	41	-2.0	-121.23	356.27	2.11	-119.12
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472929	0	47	-2.0	-119.14	384.21	4.57	-114.57
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CC2CCC1O2	REAL300000472930	0	46	-2.0	-117.17	382.88	4.02	-113.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CC2CCC1O2	REAL300000472931	0	43	-2.0	-111.51	359.12	3.58	-107.93
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CC2CCC1O2	REAL300000472932	0	44	-2.0	-122.46	379.42	2.61	-119.85
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=CC(C(=O)[O-])=C1	REAL300000472933	0	39	-3.0	-192.30	357.39	2.61	-189.69
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472934	0	44	-2.0	-111.92	368.57	3.82	-108.10
CC1=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C(C(=O)[O-])O1	REAL300000472935	0	37	-2.0	-108.30	332.01	1.21	-107.09
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=CC2=C1OCCO2	REAL300000472936	0	43	-2.0	-113.61	366.43	1.70	-111.91
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472937	0	41	-2.0	-117.08	357.95	1.14	-115.94
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)C3CC4CCC3O4)C=C2C1	REAL300000472938	0	45	-2.0	-101.65	381.91	2.65	-99.00
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C(Cl)C=C1F	REAL300000472939	0	37	-2.0	-106.53	346.59	2.65	-103.88
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CC3CCC2O3)=C(Cl)C=C1F	REAL300000472939	1	36	-3.0	-207.98	343.42	1.87	-206.11
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=CC=C1OCC(=O)[O-]	REAL300000472940	0	44	-2.0	-102.08	380.14	3.03	-99.05
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CC2CCC1O2	REAL300000472941	0	40	-2.0	-106.37	349.70	2.85	-103.52
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1F	REAL300000472942	0	41	-2.0	-101.21	366.29	2.42	-98.79
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1C(=O)[O-]	REAL300000472943	0	44	-2.0	-123.12	378.13	3.04	-120.08
CC1=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C(C(=O)[O-])S1	REAL300000472944	0	37	-2.0	-111.98	337.60	1.94	-110.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C(Cl)=C1	REAL300000472945	0	37	-2.0	-101.43	342.04	2.59	-98.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1F	REAL300000472946	0	37	-2.0	-103.41	333.52	2.08	-101.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)S1	REAL300000472947	0	34	-2.0	-105.57	321.27	1.20	-104.37
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472948	0	37	-2.0	-107.42	335.40	2.11	-105.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1F	REAL300000472949	0	40	-2.0	-113.34	354.73	2.74	-110.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C(F)=C1	REAL300000472950	0	37	-2.0	-103.29	334.45	2.11	-101.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1Cl	REAL300000472951	0	37	-2.0	-101.42	341.49	2.44	-98.98
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CC2CCC1O2	REAL300000472952	0	40	-2.0	-107.95	358.44	3.24	-104.71
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1	REAL300000472953	0	45	-2.0	-92.73	388.00	3.34	-89.39
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=CC(F)=C1F	REAL300000472954	0	37	-2.0	-104.94	339.81	2.13	-102.81
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CC3CCC2O3)=CC(F)=C1F	REAL300000472954	1	36	-3.0	-207.10	336.64	1.40	-205.70
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472955	0	39	-2.0	-94.23	352.45	2.60	-91.63
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472956	0	38	-2.0	-112.97	338.70	-0.23	-113.20
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472956	1	37	-3.0	-212.91	335.15	0.67	-212.24
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1	REAL300000472957	0	40	-2.0	-99.07	346.43	2.72	-96.35
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=CC(Cl)=C1F	REAL300000472958	0	37	-2.0	-106.31	349.70	2.57	-103.74
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CC3CCC2O3)=CC(Cl)=C1F	REAL300000472958	1	36	-3.0	-208.82	346.52	1.81	-207.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1CC2CCC1O2	REAL300000472959	0	40	-2.0	-115.68	342.82	2.79	-112.89
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=CC(C(=O)[O-])=C1F	REAL300000472960	0	40	-2.0	-114.49	353.82	2.69	-111.80
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CC2CCC1O2	REAL300000472961	0	40	-2.0	-103.80	344.40	2.81	-100.99
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=CC(C(=O)[O-])=C1C	REAL300000472962	0	43	-2.0	-111.92	357.73	2.97	-108.95
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=CC=C1[N+](=O)[O-]	REAL300000472963	0	39	-2.0	-114.11	355.56	3.13	-110.98
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472964	0	37	-2.0	-104.02	340.74	2.17	-101.85
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2CC3CCC2O3)=C1	REAL300000472964	1	36	-3.0	-208.80	337.55	1.40	-207.40
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C(C)=C1C(=O)[O-]	REAL300000472965	0	43	-2.0	-117.90	362.52	3.36	-114.54
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1C(=O)[O-]	REAL300000472966	0	40	-2.0	-112.32	350.47	2.67	-109.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1Cl	REAL300000472967	0	40	-2.0	-112.15	360.76	3.16	-108.99
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472968	0	40	-2.0	-122.09	354.00	2.73	-119.36
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1C(=O)[O-]	REAL300000472969	0	43	-2.0	-117.12	362.93	3.25	-113.87
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1CC(=O)[O-]	REAL300000472970	0	44	-2.0	-120.13	379.46	2.20	-117.93
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1CC2CCC1O2	REAL300000472971	0	40	-2.0	-107.64	359.52	3.28	-104.36
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=CC(C(=O)[O-])=C1Cl	REAL300000472972	0	40	-2.0	-113.14	360.20	3.01	-110.13
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1C(=O)[O-]	REAL300000472973	0	41	-2.0	-116.49	357.01	2.26	-114.23
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C(C)=C1CC(=O)[O-]	REAL300000472974	0	49	-2.0	-119.31	393.39	4.87	-114.44
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1C(=O)[O-]	REAL300000472975	0	40	-2.0	-103.49	357.71	3.01	-100.48
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=CC=C1C(=O)[O-]	REAL300000472976	0	40	-2.0	-104.06	345.00	2.61	-101.45
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C([N+](=O)[O-])=C1	REAL300000472977	0	42	-2.0	-106.65	369.70	4.10	-102.55
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CC2CCC1O2	REAL300000472978	0	40	-2.0	-111.48	348.95	2.87	-108.61
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1[N+](=O)[O-]	REAL300000472979	0	39	-2.0	-124.04	352.70	3.90	-120.14
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1F	REAL300000472980	0	37	-2.0	-121.24	332.60	2.07	-119.17
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C1C(=O)[O-]	REAL300000472981	0	40	-2.0	-102.36	350.20	2.60	-99.76
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=CC2=CC=CC=C21	REAL300000472982	0	43	-2.0	-123.66	370.03	4.17	-119.49
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C1	REAL300000472983	0	36	-2.0	-113.21	325.20	0.17	-113.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CC2CCC1O2	REAL300000472984	0	41	-2.0	-107.84	357.19	1.85	-105.99
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)=C(Cl)O1	REAL300000472985	0	34	-2.0	-103.16	329.15	1.04	-102.12
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CC3CCC2O3)=C(Cl)O1	REAL300000472985	1	33	-3.0	-202.96	325.95	0.24	-202.72
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3CC4CCC3O4)C=C2)CC1	REAL300000472986	0	44	-2.0	-102.41	370.39	3.82	-98.59
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)C3CC4CCC3O4)C=C2C1	REAL300000472987	0	44	-2.0	-103.99	369.70	3.82	-100.17
CCC1=C(S(=O)(=O)[N-]NC(=O)C2CC3CCC2O3)C=C(C(=O)[O-])O1	REAL300000472988	0	40	-2.0	-108.68	351.11	1.97	-106.71
NC(=O)CN1C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CC1=O	REAL300000473010	0	38	-2.0	-111.43	353.43	1.23	-110.20
NC(=O)CN1C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC1=O	REAL300000473028	0	36	-2.0	-110.42	333.32	-0.74	-111.16
NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CC1=O	REAL300000473035	1	35	-2.0	-100.70	340.96	1.19	-99.51
NC(=O)CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC1=O	REAL300000473053	1	32	-2.0	-99.98	329.37	0.04	-99.94
CCOC(=O)CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(F)(F)F	REAL300000473064	0	36	-2.0	-105.47	344.53	4.85	-100.62
CCOC(=O)CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(F)(F)F	REAL300000473066	0	33	-2.0	-103.10	332.23	3.82	-99.28
CCOC(=O)CC([N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1)C(F)(F)F	REAL300000473071	1	36	-2.0	-98.44	348.18	4.47	-93.97
CCOC(=O)CC([N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C(F)(F)F	REAL300000473076	1	36	-2.0	-99.82	342.06	3.95	-95.87
CCOC(=O)CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(F)(F)F	REAL300000473080	1	33	-2.0	-97.12	331.32	3.91	-93.21
CCOC(=O)CC([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(F)(F)F	REAL300000473081	1	36	-2.0	-99.76	345.46	4.85	-94.91
CCOC(=O)CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(F)(F)F	REAL300000473082	0	36	-2.0	-93.74	344.52	4.86	-88.88
CCOC(=O)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(F)(F)F	REAL300000473083	0	37	-2.0	-110.73	346.03	3.67	-107.06
CCOC(=O)CC([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(F)(F)F	REAL300000473092	0	36	-2.0	-108.57	342.71	4.82	-103.75
CCOC(=O)CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(F)(F)F	REAL300000473093	0	35	-2.0	-104.21	336.04	2.86	-101.35
CCOC(=O)CC([N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(F)(F)F	REAL300000473095	0	33	-2.0	-94.84	339.20	3.77	-91.07
CCOC(=O)CC([N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1)C(F)(F)F	REAL300000473096	1	39	-2.0	-99.27	358.47	4.82	-94.45
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C(F)(F)F	REAL300000473100	1	38	-2.0	-90.73	351.36	5.75	-84.98
COCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000473101	1	38	-2.0	-102.83	351.38	5.74	-97.09
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(F)(F)F	REAL300000473102	0	35	-2.0	-97.23	344.56	4.75	-92.48
COCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000473103	0	39	-2.0	-101.29	358.02	5.09	-96.20
COCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000473104	0	35	-2.0	-98.67	343.03	4.77	-93.90
COCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000473105	0	38	-2.0	-96.93	354.38	4.87	-92.06
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(F)(F)F	REAL300000473106	0	35	-2.0	-92.25	343.64	4.86	-87.39
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(F)(F)F	REAL300000473107	0	37	-2.0	-100.45	347.60	3.86	-96.59
CN1CCC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2C1=O	REAL300000473108	1	39	-2.0	-109.33	349.49	5.56	-103.77
CN1CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C2C1=O	REAL300000473109	1	39	-2.0	-99.20	344.78	5.57	-93.63
CN1CCC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2C1=O	REAL300000473110	1	39	-2.0	-112.29	344.96	5.54	-106.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)CCC2=C1	REAL300000473111	0	43	-2.0	-118.61	373.10	5.34	-113.27
CN1CCC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C2C1=O	REAL300000473112	1	43	-2.0	-99.05	376.25	6.86	-92.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)C=C1C(=O)[O-]	REAL300000473113	1	42	-2.0	-113.02	360.97	6.08	-106.94
CN1CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C2C1=O	REAL300000473114	0	39	-2.0	-108.59	358.03	6.11	-102.48
CN1CCC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C2C1=O	REAL300000473115	1	39	-2.0	-107.70	357.47	5.92	-101.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)=C1C	REAL300000473116	1	45	-2.0	-116.16	377.35	6.86	-109.30
CN1CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2C1=O	REAL300000473117	0	39	-2.0	-110.06	350.44	5.60	-104.46
CN1CCC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C2C1=O	REAL300000473118	1	45	-2.0	-98.97	388.54	7.13	-91.84
CN1CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2C1=O	REAL300000473119	0	36	-2.0	-106.43	338.14	4.56	-101.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)CCC2=C1	REAL300000473120	1	42	-2.0	-114.36	360.38	6.32	-108.04
CN1CCC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=CC=C2C1=O	REAL300000473121	1	43	-2.0	-97.78	375.87	5.85	-91.93
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)C=C1C(=O)[O-]	REAL300000473122	0	40	-2.0	-110.55	351.60	4.90	-105.65
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)CCC2=C1	REAL300000473123	1	43	-2.0	-114.69	369.17	4.36	-110.33
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)=C1	REAL300000473124	0	39	-2.0	-102.22	354.06	5.22	-97.00
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)C=C1C(=O)[O-]	REAL300000473125	1	45	-2.0	-115.52	376.41	6.86	-108.66
CN1CCC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2C1=O	REAL300000473126	0	36	-2.0	-107.58	336.61	4.58	-103.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)C=C1C(=O)[O-]	REAL300000473127	1	43	-2.0	-117.71	372.24	5.61	-112.10
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)CCC2=C1	REAL300000473128	1	45	-2.0	-113.05	375.09	7.27	-105.78
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)C=C(C(=O)[O-])O1	REAL300000473129	0	39	-2.0	-106.70	347.97	4.69	-102.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)=C1	REAL300000473130	0	43	-2.0	-112.68	373.94	4.63	-108.05
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)CCC2=C1	REAL300000473131	1	42	-2.0	-104.51	365.66	6.37	-98.14
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)C=C(C(=O)[O-])S1	REAL300000473132	0	39	-2.0	-110.52	353.56	5.43	-105.09
CN1CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C2C1=O	REAL300000473133	0	39	-2.0	-97.15	358.01	6.10	-91.05
CN1CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2C1=O	REAL300000473134	1	39	-2.0	-99.02	349.49	5.58	-93.44
CN1CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2C1=O	REAL300000473135	0	36	-2.0	-101.11	337.22	4.67	-96.44
CN1CCC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2C1=O	REAL300000473136	0	39	-2.0	-102.99	351.36	5.60	-97.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)=C1F	REAL300000473137	0	42	-2.0	-111.37	370.70	6.25	-105.12
CN1CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2C1=O	REAL300000473138	0	39	-2.0	-98.74	350.42	5.61	-93.13
CN1CCC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C2C1=O	REAL300000473139	1	39	-2.0	-97.11	357.45	5.93	-91.18
CN1CCC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C2C1=O	REAL300000473140	1	39	-2.0	-100.91	355.78	5.63	-95.28
CN1CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2C1=O	REAL300000473141	0	40	-2.0	-113.45	354.67	3.26	-110.19
CN1CCC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2C1=O	REAL300000473141	1	40	-2.0	-109.58	343.69	4.14	-105.44
CN1CCC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2C1=O	REAL300000473142	1	42	-2.0	-103.88	367.14	6.33	-97.55
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)CCC2=C1	REAL300000473143	1	42	-2.0	-107.34	354.99	6.17	-101.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)=CC(C(=O)[O-])=C1F	REAL300000473144	1	42	-2.0	-110.98	369.80	6.19	-104.79
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)CCC2=C1	REAL300000473145	1	42	-2.0	-100.16	360.37	6.32	-93.84
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)=CC(C(=O)[O-])=C1C	REAL300000473146	1	45	-2.0	-114.89	377.84	6.60	-108.29
CN1CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C2C1=O	REAL300000473147	0	39	-2.0	-101.32	356.71	5.67	-95.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)C(C)=C1C(=O)[O-]	REAL300000473148	1	45	-2.0	-111.58	379.44	6.95	-104.63
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)C=C1C(=O)[O-]	REAL300000473149	0	42	-2.0	-111.20	366.44	6.14	-105.06
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)=C1	REAL300000473150	0	42	-2.0	-115.66	369.99	6.23	-109.43
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)C=C1C(=O)[O-]	REAL300000473151	1	45	-2.0	-113.70	379.24	6.73	-106.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)C=C1C(=O)[O-]	REAL300000473152	0	43	-2.0	-111.77	372.97	5.76	-106.01
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)=CC=C1C(=O)[O-]	REAL300000473153	1	42	-2.0	-99.68	360.97	6.08	-93.60
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)CCC2=C1	REAL300000473154	1	42	-2.0	-111.67	364.92	6.36	-105.31
CN1CCC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2C1=O	REAL300000473155	0	39	-2.0	-115.03	348.57	5.56	-109.47
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)C=C1C(=O)[O-]	REAL300000473156	1	42	-2.0	-104.41	369.90	6.23	-98.18
CN1CCC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2C1=O	REAL300000473157	0	38	-2.0	-110.29	341.94	3.60	-106.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)CCC2=C1	REAL300000473158	0	43	-2.0	-103.93	373.16	5.35	-98.58
CN1CCC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2C1=O	REAL300000473159	0	36	-2.0	-100.13	345.10	4.52	-95.61
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)CCC3=C2)C=C(C(=O)[O-])O1	REAL300000473160	0	42	-2.0	-106.81	367.09	5.54	-101.27
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000473189	0	38	-2.0	-112.12	351.25	6.45	-105.67
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000473218	0	36	-2.0	-111.20	320.03	4.59	-106.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000473255	1	34	-2.0	-100.52	330.67	6.72	-93.80
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(C(F)(F)F)=C1	REAL300000473256	1	34	-2.0	-93.32	325.80	6.68	-86.64
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000473257	1	34	-2.0	-105.87	325.82	6.66	-99.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(F)(F)F)=C1	REAL300000473258	0	38	-2.0	-107.92	354.29	6.49	-101.43
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC(C(F)(F)F)=C1	REAL300000473259	1	38	-2.0	-93.19	357.27	7.97	-85.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000473260	1	37	-2.0	-104.02	342.16	7.22	-96.80
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC(C(F)(F)F)=C1	REAL300000473261	0	34	-2.0	-101.94	338.87	7.25	-94.69
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000473262	1	34	-2.0	-98.90	338.65	7.07	-91.83
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC(C(F)(F)F)=C1	REAL300000473263	1	40	-2.0	-109.64	358.49	8.02	-101.62
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(C(F)(F)F)=C1	REAL300000473264	0	34	-2.0	-103.57	331.27	6.74	-96.83
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC(C(F)(F)F)=C1	REAL300000473265	1	40	-2.0	-92.59	369.36	8.26	-84.33
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(C(F)(F)F)=C1	REAL300000473266	0	31	-2.0	-97.34	318.99	5.68	-91.66
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(C(F)(F)F)=C1	REAL300000473267	1	37	-2.0	-103.46	341.58	7.47	-95.99
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000473269	0	35	-2.0	-101.40	332.79	6.05	-95.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC(C)=C2)=C1	REAL300000473271	0	34	-2.0	-93.62	335.25	6.37	-87.25
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000473273	0	31	-2.0	-98.79	317.79	5.72	-93.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(F)(F)F)=C1	REAL300000473275	1	40	-2.0	-101.76	356.28	8.41	-93.35
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC(C(F)(F)F)=C1	REAL300000473276	1	41	-2.0	-111.60	370.38	8.61	-102.99
CC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC(C)=C2)C=C(C(=O)[O-])O1	REAL300000473277	0	34	-2.0	-96.90	329.15	5.84	-91.06
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC(C(F)(F)F)=C1	REAL300000473278	0	38	-2.0	-104.15	354.79	5.75	-98.40
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC(C(F)(F)F)=C1	REAL300000473279	1	37	-2.0	-97.92	346.53	7.49	-90.43
CC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC(C)=C2)C=C(C(=O)[O-])S1	REAL300000473280	0	34	-2.0	-103.67	335.51	6.56	-97.11
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC(C(F)(F)F)=C1	REAL300000473281	0	34	-2.0	-88.42	338.86	7.23	-81.19
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(F)(F)F)=C1	REAL300000473282	1	34	-2.0	-90.38	330.66	6.73	-83.65
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(C(F)(F)F)=C1	REAL300000473283	0	31	-2.0	-92.42	318.08	5.79	-86.63
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000473284	1	34	-2.0	-93.93	332.21	6.73	-87.20
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC(C(F)(F)F)=C1	REAL300000473285	0	37	-2.0	-105.02	351.59	7.38	-97.64
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(C(F)(F)F)=C1	REAL300000473286	0	34	-2.0	-90.21	331.27	6.74	-83.47
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(C(F)(F)F)=C1	REAL300000473287	1	34	-2.0	-88.45	338.64	7.09	-81.36
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000473288	1	34	-2.0	-94.75	336.65	6.76	-87.99
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(C(F)(F)F)=C1	REAL300000473289	0	35	-2.0	-102.21	335.86	4.40	-97.81
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(C(F)(F)F)=C1	REAL300000473289	1	35	-2.0	-105.52	334.70	5.17	-100.35
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(C(F)(F)F)=C1	REAL300000473290	1	37	-2.0	-97.48	347.96	7.46	-90.02
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(C(F)(F)F)=C1	REAL300000473291	1	37	-2.0	-101.46	335.86	7.31	-94.15
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000473292	1	37	-2.0	-104.66	350.66	7.33	-97.33
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000473294	1	40	-2.0	-110.25	363.31	7.86	-102.39
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC(C(F)(F)F)=C1	REAL300000473295	0	34	-2.0	-91.70	337.56	6.79	-84.91
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC(C(F)(F)F)=C1	REAL300000473297	0	37	-2.0	-105.88	351.13	7.37	-98.51
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC(C(F)(F)F)=C1	REAL300000473298	0	37	-2.0	-110.00	350.85	7.37	-102.63
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000473299	1	40	-2.0	-104.73	360.11	7.88	-96.85
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000473300	0	38	-2.0	-102.66	354.16	6.91	-95.75
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(C(F)(F)F)=C1	REAL300000473301	1	37	-2.0	-90.95	342.15	7.24	-83.71
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC(C(F)(F)F)=C1	REAL300000473302	1	37	-2.0	-100.92	345.76	7.49	-93.43
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(C(F)(F)F)=C1	REAL300000473303	0	34	-2.0	-109.23	329.47	6.71	-102.52
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000473304	1	37	-2.0	-95.65	350.74	7.34	-88.31
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(C(F)(F)F)=C1	REAL300000473305	0	33	-2.0	-103.46	322.35	4.84	-98.62
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(F)(F)F)=C1	REAL300000473306	0	38	-2.0	-94.95	354.34	6.49	-88.46
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000473307	0	31	-2.0	-90.83	326.28	5.67	-85.16
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC(C(F)(F)F)=C1	REAL300000473308	1	41	-2.0	-100.32	371.94	8.55	-91.77
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC(C(F)(F)F)=C1	REAL300000473309	1	41	-2.0	-102.89	371.26	8.55	-94.34
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000473310	0	37	-2.0	-96.69	348.27	6.69	-90.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=CC=C1F	REAL300000473311	1	35	-2.0	-116.62	337.30	6.98	-109.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C1	REAL300000473312	1	35	-2.0	-99.40	328.85	6.76	-92.64
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=C1	REAL300000473313	1	35	-2.0	-119.58	332.76	6.95	-112.63
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C(F)F)C2=C1	REAL300000473314	0	39	-2.0	-124.59	360.91	6.75	-117.84
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C1	REAL300000473315	1	39	-2.0	-98.63	360.30	8.04	-90.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C1C(=O)[O-]	REAL300000473316	1	38	-2.0	-120.84	348.78	7.48	-113.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=C1C	REAL300000473317	1	41	-2.0	-121.44	365.16	8.27	-113.17
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=C1	REAL300000473318	0	35	-2.0	-116.48	338.24	7.01	-109.47
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C1	REAL300000473319	1	41	-2.0	-97.95	372.42	8.34	-89.61
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=C1	REAL300000473320	0	32	-2.0	-113.57	325.95	5.98	-107.59
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C(F)F)C2=C1	REAL300000473321	1	38	-2.0	-119.48	348.20	7.74	-111.74
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C1	REAL300000473322	1	39	-2.0	-97.39	359.92	7.03	-90.36
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C1C(=O)[O-]	REAL300000473323	0	36	-2.0	-110.71	335.50	6.10	-104.61
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=C1	REAL300000473325	0	35	-2.0	-102.13	337.97	6.43	-95.70
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C1C(=O)[O-]	REAL300000473326	1	41	-2.0	-121.21	363.83	8.30	-112.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=CS1	REAL300000473327	0	32	-2.0	-108.08	320.51	5.79	-102.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C1C(=O)[O-]	REAL300000473328	1	39	-2.0	-125.39	360.05	7.02	-118.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C(F)F)C2=C1	REAL300000473329	1	41	-2.0	-117.38	362.90	8.69	-108.69
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C(C(=O)[O-])O1	REAL300000473330	0	35	-2.0	-105.86	331.87	5.89	-99.97
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=C1	REAL300000473331	0	39	-2.0	-121.65	361.68	6.05	-115.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C(F)F)C2=C1	REAL300000473332	1	38	-2.0	-109.90	353.47	7.78	-102.12
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C(C(=O)[O-])S1	REAL300000473333	0	35	-2.0	-115.64	342.45	6.85	-108.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C1F	REAL300000473334	1	35	-2.0	-105.74	337.29	6.99	-98.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)S1	REAL300000473335	0	32	-2.0	-100.94	321.14	5.88	-95.06
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=C1	REAL300000473336	1	35	-2.0	-102.36	335.26	6.81	-95.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=C1F	REAL300000473337	0	38	-2.0	-117.96	358.52	7.66	-110.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C(F)=C1	REAL300000473338	0	35	-2.0	-106.24	338.23	7.02	-99.22
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=C1	REAL300000473339	0	36	-2.0	-118.15	342.48	4.66	-113.49
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3C=CN(C(F)F)C3=C2)=C1	REAL300000473339	1	36	-2.0	-116.12	341.70	5.45	-110.67
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C1	REAL300000473340	1	38	-2.0	-102.79	351.02	7.53	-95.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C(F)F)C2=C1	REAL300000473341	1	38	-2.0	-116.16	342.83	7.59	-108.57
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000473342	1	38	-2.0	-111.32	353.69	7.40	-103.92
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C(F)F)C2=C1	REAL300000473343	1	38	-2.0	-106.32	348.17	7.73	-98.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000473344	1	41	-2.0	-117.03	366.35	7.95	-109.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C(C)=C1C(=O)[O-]	REAL300000473345	1	41	-2.0	-120.68	366.15	8.36	-112.32
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C1C(=O)[O-]	REAL300000473346	0	38	-2.0	-118.85	358.08	7.65	-111.20
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=C1	REAL300000473347	0	38	-2.0	-125.43	357.80	7.64	-117.79
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C1C(=O)[O-]	REAL300000473348	1	41	-2.0	-121.61	366.73	8.14	-113.47
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C1C(=O)[O-]	REAL300000473349	0	39	-2.0	-112.13	356.79	6.96	-105.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=CC=C1C(=O)[O-]	REAL300000473350	1	38	-2.0	-106.68	348.77	7.50	-99.18
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C(F)F)C2=C1	REAL300000473351	1	38	-2.0	-116.45	352.72	7.77	-108.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=C1F	REAL300000473352	0	35	-2.0	-124.53	336.43	6.99	-117.54
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C1C(=O)[O-]	REAL300000473353	1	38	-2.0	-105.10	353.79	7.43	-97.67
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=C1	REAL300000473354	0	34	-2.0	-108.96	325.86	4.81	-104.15
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=CN(C(F)F)C2=C1	REAL300000473355	0	39	-2.0	-110.87	360.96	6.76	-104.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)=C(Cl)O1	REAL300000473356	0	32	-2.0	-99.65	329.01	5.72	-93.93
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C=CN(C(F)F)C3=C2)C=C(C(=O)[O-])O1	REAL300000473357	0	38	-2.0	-105.63	351.00	6.74	-98.89
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000473358	0	39	-2.0	-110.46	354.29	9.21	-101.25
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2C=C1	REAL300000473359	0	39	-2.0	-108.01	347.83	8.27	-99.74
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000473360	0	39	-2.0	-119.37	346.44	8.20	-111.17
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)=O)C=CC2=CC=CC=C21	REAL300000473361	0	43	-2.0	-117.52	377.98	9.05	-108.47
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2=CC=CC=C2C=C1	REAL300000473362	0	43	-2.0	-98.83	381.64	10.48	-88.35
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000473363	0	42	-2.0	-125.20	363.72	8.80	-116.40
CC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C2=CC=CC=C2C=C1	REAL300000473364	0	45	-2.0	-125.19	378.44	9.47	-115.72
CC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=CC=CC=C2C=C1	REAL300000473365	0	39	-2.0	-119.76	353.28	8.34	-111.42
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C2=CC=CC=C2C=C1	REAL300000473366	0	45	-2.0	-105.41	391.40	9.85	-95.56
CC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=CC=C2C=C1	REAL300000473367	0	36	-2.0	-114.18	339.67	7.25	-106.93
CC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C2=CC=CC=C2C=C1	REAL300000473368	0	42	-2.0	-113.08	361.74	9.90	-103.18
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2=CC=CC=C2C=C1	REAL300000473369	0	43	-2.0	-104.07	377.48	8.48	-95.59
CC(=O)C1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000473370	0	40	-2.0	-117.66	352.93	7.54	-110.12
CC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C2=CC=CC=C2C=C1	REAL300000473371	0	43	-2.0	-122.11	368.77	6.91	-115.20
CC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C2=CC=CC=C2C=C1	REAL300000473372	0	39	-2.0	-110.61	355.23	7.90	-102.71
CC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C2=CC=CC=C2C=C1	REAL300000473373	0	45	-2.0	-123.74	376.15	9.41	-114.33
CC(=O)C1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000473374	0	36	-2.0	-114.93	338.09	7.25	-107.68
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)=O)C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000473375	0	43	-2.0	-130.03	373.57	8.26	-121.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)=O)C=CC2=CC=CC=C21	REAL300000473376	0	45	-2.0	-112.81	377.79	10.72	-102.09
CC(=O)C1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000473377	0	39	-2.0	-106.20	353.07	8.40	-97.80
CC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C2=CC=CC=C2C=C1	REAL300000473378	0	43	-2.0	-121.53	376.76	7.31	-114.22
CC(=O)C1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000473379	0	39	-2.0	-109.69	355.77	9.03	-100.66
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC=CC=C2C=C1	REAL300000473380	0	39	-2.0	-106.54	351.01	8.26	-98.28
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=CC=C2C=C1	REAL300000473381	0	36	-2.0	-101.36	342.62	8.39	-92.97
CC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000473382	0	39	-2.0	-104.15	356.63	9.25	-94.90
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=CC=CC=C2C=C1	REAL300000473383	0	39	-2.0	-107.34	351.55	8.35	-98.99
CC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=CC=CC=C2C=C1	REAL300000473384	0	40	-2.0	-111.75	357.41	7.07	-104.68
CC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C2C=C1	REAL300000473384	1	39	-3.0	-227.42	353.95	6.82	-220.60
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=CC=CC=C2C=C1	REAL300000473385	0	42	-2.0	-113.20	368.45	8.98	-104.22
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C2=CC=CC=C2C=C1	REAL300000473386	0	42	-2.0	-108.10	359.71	9.84	-98.26
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C2=CC=CC=C2C=C1	REAL300000473387	0	42	-2.0	-99.22	361.60	9.90	-89.32
CC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000473388	0	45	-2.0	-127.55	379.03	9.29	-118.26
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C2=CC=CC=C2C=C1	REAL300000473389	0	45	-2.0	-112.10	377.90	10.48	-101.62
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)=O)C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000473390	0	45	-2.0	-121.60	381.63	9.46	-112.14
CCN1C=C(S(=O)(=O)[N-]C2=C(C(C)=O)C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000473391	0	43	-2.0	-111.09	377.83	9.49	-101.60
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C2=CC=CC=C2C=C1	REAL300000473392	0	42	-2.0	-100.04	366.02	9.72	-90.32
CC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=CC=CC=C2C=C1	REAL300000473393	0	39	-2.0	-116.86	353.71	9.31	-107.55
CC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=CC=C2C=C1	REAL300000473394	0	38	-2.0	-118.08	344.67	6.34	-111.74
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(C)=O)C=CC2=CC=CC=C21	REAL300000473395	0	43	-2.0	-103.27	377.98	9.06	-94.21
CC(=O)C1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000473396	0	36	-2.0	-109.03	345.23	7.16	-101.87
CCC1=C(S(=O)(=O)[N-]C2=C(C(C)=O)C=CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000473397	0	42	-2.0	-115.02	367.36	8.16	-106.86
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000473398	0	38	-2.0	-98.86	350.58	3.19	-95.67
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000473399	0	31	-2.0	-115.43	298.66	4.64	-110.79
CCN1C=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=N1	REAL300000473400	0	39	-2.0	-117.11	353.75	5.70	-111.41
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=N1	REAL300000473401	0	31	-2.0	-113.13	310.55	5.31	-107.82
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=N1	REAL300000473402	0	35	-2.0	-124.32	322.27	4.42	-119.90
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=N1	REAL300000473403	0	31	-2.0	-113.63	310.37	5.09	-108.54
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000473404	0	35	-2.0	-104.99	325.58	5.90	-99.09
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000473405	0	34	-2.0	-120.93	314.20	5.25	-115.68
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000473406	0	31	-2.0	-113.95	307.20	5.17	-108.78
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000473407	0	31	-2.0	-113.97	306.63	5.00	-108.97
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=N1	REAL300000473408	0	31	-2.0	-109.35	319.69	5.55	-103.80
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000473409	0	37	-2.0	-121.62	326.79	5.95	-115.67
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000473410	0	31	-2.0	-115.86	299.60	4.67	-111.19
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000473411	0	37	-2.0	-104.42	337.71	6.20	-98.22
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000473412	0	28	-2.0	-112.44	287.32	3.63	-108.81
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000473413	0	34	-2.0	-119.42	309.56	5.38	-114.04
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000473414	0	35	-2.0	-103.72	325.19	4.89	-98.83
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=N1	REAL300000473415	0	42	-2.0	-100.39	370.97	5.66	-94.73
CCN1C=CC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=N1	REAL300000473416	0	28	-2.0	-109.26	304.31	4.37	-104.89
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000473417	0	35	-2.0	-119.71	318.33	3.42	-116.29
CCN1C=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)=N1	REAL300000473418	0	31	-2.0	-113.96	319.05	5.25	-108.71
CCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300000473419	0	31	-2.0	-108.30	303.23	4.29	-104.01
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000473420	0	37	-2.0	-120.82	325.58	5.92	-114.90
CCN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000473421	0	28	-2.0	-113.89	285.78	3.64	-110.25
CCN1C=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000473422	0	39	-2.0	-118.46	352.45	4.42	-114.04
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000473423	0	35	-2.0	-124.35	321.43	4.67	-119.68
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000473424	0	41	-2.0	-123.56	349.36	7.23	-116.33
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000473425	0	40	-2.0	-121.83	348.02	6.61	-115.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC)C=C1	REAL300000473426	0	37	-2.0	-117.59	324.25	6.32	-111.27
CCN1C=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=N1	REAL300000473427	0	38	-2.0	-124.98	344.56	5.18	-119.80
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000473428	0	33	-3.0	-193.71	322.53	5.17	-188.54
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000473429	0	38	-2.0	-123.83	338.37	6.49	-117.34
CCN1C=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000473430	0	37	-2.0	-123.11	336.29	4.38	-118.73
CCN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=N1	REAL300000473431	0	35	-2.0	-119.19	323.05	3.71	-115.48
CCN1C=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000473432	0	39	-2.0	-105.24	347.77	5.23	-100.01
CCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000473433	0	31	-2.0	-107.51	321.80	5.46	-102.05
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000473434	0	31	-2.0	-110.29	311.72	5.19	-105.10
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300000473435	0	35	-2.0	-102.01	341.24	5.43	-96.58
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=N1	REAL300000473436	0	38	-2.0	-104.20	345.28	5.60	-98.60
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=N1	REAL300000473437	0	41	-2.0	-102.70	373.88	5.86	-96.84
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000473438	0	34	-2.0	-109.58	314.84	5.42	-104.16
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=N1	REAL300000473439	0	44	-2.0	-104.30	387.72	6.53	-97.77
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000473440	0	35	-2.0	-102.96	331.43	4.95	-98.01
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)=N1	REAL300000473441	0	41	-2.0	-102.46	383.68	6.34	-96.12
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CC)C=C2)C=C1C(=O)[O-]	REAL300000473442	0	38	-2.0	-125.00	343.26	5.58	-119.42
CCN1C=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300000473443	0	31	-2.0	-115.37	303.82	4.49	-110.88
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300000473444	0	31	-2.0	-107.49	322.36	5.61	-101.88
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000473445	0	31	-2.0	-102.63	307.18	5.16	-97.47
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=N1	REAL300000473446	0	31	-2.0	-101.99	310.53	5.31	-96.68
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000473447	0	31	-2.0	-104.54	298.64	4.65	-99.89
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000473448	0	28	-2.0	-107.15	286.38	3.73	-103.42
CCN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000473449	0	31	-2.0	-108.88	300.53	4.67	-104.21
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000473450	0	34	-2.0	-117.32	319.88	5.31	-112.01
CCN1C=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=N1	REAL300000473451	0	35	-2.0	-107.13	334.43	5.23	-101.90
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000473452	0	31	-2.0	-104.73	299.59	4.68	-100.05
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000473453	0	31	-2.0	-102.69	306.61	5.01	-97.68
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300000473454	0	34	-2.0	-111.34	323.57	5.81	-105.53
CCN1C=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)=N1	REAL300000473455	0	34	-2.0	-107.70	324.96	5.89	-101.81
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000473456	0	39	-2.0	-101.73	357.88	6.02	-95.71
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=N1	REAL300000473457	0	31	-2.0	-102.32	310.35	5.10	-97.22
CCN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000473458	0	31	-2.0	-106.68	304.94	4.70	-101.98
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000473459	0	33	-2.0	-102.85	322.31	5.27	-97.58
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000473460	0	32	-2.0	-118.33	303.84	2.33	-116.00
CCN1C=CC([N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000473461	0	34	-2.0	-112.11	328.00	5.67	-106.44
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000473462	0	34	-2.0	-109.46	316.31	5.39	-104.07
CCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000473463	0	31	-2.0	-108.23	314.83	5.14	-103.09
CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000473464	0	34	-2.0	-114.17	304.20	5.23	-108.94
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)=N1	REAL300000473465	0	34	-2.0	-111.90	327.60	5.90	-106.00
CCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000473466	0	34	-2.0	-116.88	318.96	5.26	-111.62
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000473467	0	34	-2.0	-105.40	309.54	5.38	-100.02
CCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000473468	0	37	-2.0	-121.57	327.59	5.69	-115.88
CCN1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000473469	0	33	-2.0	-115.81	320.68	5.70	-110.11
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000473470	0	31	-2.0	-107.13	305.86	4.73	-102.40
CCN1C=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=N1	REAL300000473471	0	28	-2.0	-104.86	306.71	4.28	-100.58
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000473472	0	37	-2.0	-118.38	328.61	5.97	-112.41
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000473473	0	34	-2.0	-117.10	315.60	5.20	-111.90
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=N1	REAL300000473474	0	34	-2.0	-115.78	325.89	5.73	-110.05
CCN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=N1	REAL300000473475	0	34	-2.0	-123.03	319.16	5.30	-117.73
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC)C=C2)C=C1C(=O)[O-]	REAL300000473476	0	37	-2.0	-120.45	328.06	5.79	-114.66
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)=N1	REAL300000473477	0	31	-2.0	-109.66	315.07	5.33	-104.33
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=N1	REAL300000473478	0	38	-2.0	-120.27	344.60	4.74	-115.53
CCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=N1	REAL300000473479	0	34	-2.0	-107.30	320.39	5.79	-101.51
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300000473480	0	34	-2.0	-101.60	324.24	5.42	-96.18
CCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000473481	0	34	-2.0	-115.80	325.35	5.56	-110.24
CCN1C=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300000473482	0	31	-2.0	-110.92	315.42	5.22	-105.70
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Br)=N1	REAL300000473483	0	34	-2.0	-115.26	328.70	5.87	-109.39
CCN1C=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=N1	REAL300000473484	0	35	-2.0	-118.00	322.15	4.83	-113.17
CCN1C=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=N1	REAL300000473485	0	43	-2.0	-118.73	359.28	7.48	-111.25
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)=N1	REAL300000473486	0	31	-2.0	-105.28	316.24	5.36	-99.92
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=N1	REAL300000473487	0	31	-2.0	-105.59	319.74	5.16	-100.43
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=N1	REAL300000473488	0	35	-2.0	-104.26	338.82	4.91	-99.35
CCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000473489	0	34	-2.0	-111.57	323.99	5.57	-106.00
CCN1C=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=N1	REAL300000473490	0	40	-2.0	-115.02	343.56	6.70	-108.32
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=N1	REAL300000473491	0	35	-2.0	-119.45	334.45	5.22	-114.23
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000473492	0	34	-2.0	-105.47	310.13	5.15	-100.32
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000473493	0	36	-2.0	-110.81	337.39	6.79	-104.02
CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000473494	0	34	-2.0	-116.74	313.67	5.44	-111.30
CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000473495	0	33	-2.0	-125.25	317.87	6.46	-118.79
CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000473496	0	31	-2.0	-122.24	297.79	4.64	-117.60
CCN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000473497	0	34	-2.0	-109.83	315.29	5.18	-104.65
CCN1C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000473498	0	37	-2.0	-126.99	335.17	6.72	-120.27
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300000473499	0	35	-2.0	-109.84	322.33	4.41	-105.43
CCN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000473500	0	28	-2.0	-105.57	294.27	3.58	-101.99
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300000473501	0	35	-2.0	-113.31	337.92	5.16	-108.15
CCN1C=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=N1	REAL300000473502	0	34	-2.0	-109.03	337.47	1.66	-107.37
CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000473503	0	38	-2.0	-112.24	340.25	6.49	-105.75
CCN1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000473504	0	38	-2.0	-115.89	339.56	6.49	-109.40
CCC1=C(S(=O)(=O)[N-]C2=NN(CC)C=C2)C=C(C(=O)[O-])O1	REAL300000473505	0	34	-2.0	-111.74	316.26	4.60	-107.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000473506	1	38	-2.0	-84.60	357.60	4.70	-79.90
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473507	1	31	-2.0	-100.50	305.66	6.14	-94.36
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C)=C1	REAL300000473508	0	39	-2.0	-101.88	360.74	7.21	-94.67
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473510	1	31	-2.0	-102.86	301.13	6.11	-96.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C)=C1	REAL300000473511	0	35	-2.0	-108.55	329.27	5.91	-102.64
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000473512	1	35	-2.0	-90.52	332.59	7.41	-83.11
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1Cl	REAL300000473514	0	31	-2.0	-98.72	314.20	6.68	-92.04
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473515	1	31	-2.0	-98.84	313.63	6.50	-92.34
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=CC=C1Cl	REAL300000473516	0	31	-2.0	-94.40	326.71	7.06	-87.34
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1Cl	REAL300000473517	1	37	-2.0	-105.98	333.52	7.42	-98.56
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1Cl	REAL300000473518	0	31	-2.0	-100.25	306.61	6.17	-94.08
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000473519	1	37	-2.0	-89.79	344.68	7.70	-82.09
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000473520	0	28	-2.0	-97.29	294.31	5.13	-92.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C)=C1	REAL300000473521	1	34	-2.0	-104.14	316.56	6.89	-97.25
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473523	1	32	-2.0	-101.35	307.77	5.46	-95.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)=C1	REAL300000473525	0	31	-2.0	-93.43	310.24	5.79	-87.64
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473527	0	28	-2.0	-98.74	292.78	5.14	-93.60
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000473528	1	39	-2.0	-103.26	359.43	5.92	-97.34
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1Cl	REAL300000473530	1	41	-2.0	-107.89	356.39	8.73	-99.16
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1Cl	REAL300000473531	1	40	-2.0	-106.30	355.03	8.12	-98.18
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C)=C1	REAL300000473532	1	37	-2.0	-102.60	331.27	7.83	-94.77
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C)=C1	REAL300000473533	0	38	-2.0	-108.89	351.55	6.67	-102.22
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473534	0	34	-2.0	-106.65	332.00	6.67	-99.98
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473534	1	33	-3.0	-177.21	329.52	6.68	-170.53
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1Cl	REAL300000473535	1	38	-2.0	-108.24	345.36	8.01	-100.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000473536	0	31	-2.0	-97.20	304.13	5.25	-91.95
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473537	1	37	-2.0	-107.59	343.28	5.88	-101.71
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)=C1	REAL300000473538	0	35	-2.0	-103.93	330.10	5.20	-98.73
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473540	1	31	-2.0	-92.66	328.81	6.96	-85.70
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1Cl	REAL300000473541	0	31	-2.0	-95.56	318.73	6.69	-88.87
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CC=C1Cl	REAL300000473542	1	35	-2.0	-87.81	348.23	6.94	-80.87
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1Cl	REAL300000473544	1	34	-2.0	-94.68	321.83	6.93	-87.75
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000473546	1	35	-2.0	-88.76	338.42	6.46	-82.30
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000473548	1	31	-2.0	-100.58	309.73	6.00	-94.58
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=CC=C1Cl	REAL300000473549	0	31	-2.0	-92.51	329.34	7.13	-85.38
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1Cl	REAL300000473550	0	31	-2.0	-88.35	314.17	6.67	-81.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000473551	1	31	-2.0	-90.26	305.65	6.15	-84.11
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000473552	0	28	-2.0	-92.25	293.39	5.23	-87.02
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473553	1	31	-2.0	-93.84	307.52	6.18	-87.66
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1Cl	REAL300000473554	0	34	-2.0	-101.63	326.88	6.82	-94.81
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000473555	0	35	-2.0	-93.01	341.44	6.73	-86.28
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1Cl	REAL300000473556	0	31	-2.0	-90.05	306.58	6.18	-83.87
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1Cl	REAL300000473557	1	31	-2.0	-88.29	313.62	6.51	-81.78
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1Cl	REAL300000473558	1	34	-2.0	-96.45	330.56	7.31	-89.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000473559	1	39	-2.0	-87.39	364.87	7.52	-79.87
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473560	1	31	-2.0	-92.11	311.95	6.20	-85.91
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1Cl	REAL300000473561	1	33	-2.0	-88.10	329.32	6.78	-81.32
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Cl	REAL300000473562	0	32	-2.0	-103.09	310.85	3.81	-99.28
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Cl	REAL300000473562	1	32	-2.0	-102.06	310.03	4.61	-97.45
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000473563	1	34	-2.0	-94.34	323.29	6.90	-87.44
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473564	1	31	-2.0	-93.52	321.84	6.64	-86.88
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000473565	1	34	-2.0	-98.99	311.20	6.75	-92.24
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473566	1	34	-2.0	-101.81	325.95	6.76	-95.05
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473569	0	33	-2.0	-101.44	327.68	7.20	-94.24
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1Cl	REAL300000473570	0	31	-2.0	-91.89	312.88	6.24	-85.65
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1Cl	REAL300000473572	0	34	-2.0	-101.37	322.62	6.71	-94.66
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1Cl	REAL300000473573	0	34	-2.0	-100.47	332.88	7.25	-93.22
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)=C1	REAL300000473574	0	34	-2.0	-107.48	326.15	6.80	-100.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000473575	1	37	-2.0	-104.76	335.37	7.30	-97.46
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000473577	1	34	-2.0	-93.20	331.66	7.37	-85.83
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CC=C1Cl	REAL300000473578	1	34	-2.0	-87.32	331.24	6.93	-80.39
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473579	1	34	-2.0	-100.50	332.34	7.07	-93.43
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000473580	1	35	-2.0	-102.61	329.14	6.32	-96.29
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CC=C1Cl	REAL300000473582	0	31	-2.0	-90.72	326.70	6.67	-84.05
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473583	1	34	-2.0	-97.41	334.87	7.18	-90.23
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473584	0	40	-2.0	-100.37	350.60	8.24	-92.13
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000473585	0	35	-2.0	-104.32	341.45	6.74	-97.58
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1Cl	REAL300000473587	0	36	-2.0	-95.59	344.38	8.31	-87.28
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1Cl	REAL300000473589	0	33	-2.0	-109.91	324.86	7.96	-101.95
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000473590	0	31	-2.0	-106.73	304.75	6.14	-100.59
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473591	1	34	-2.0	-95.63	326.06	6.79	-88.84
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473592	1	37	-2.0	-111.11	342.17	8.23	-102.88
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000473593	0	30	-2.0	-100.54	297.35	4.24	-96.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(C)=C1	REAL300000473594	0	35	-2.0	-94.88	329.32	5.91	-88.97
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000473595	0	28	-2.0	-90.95	301.27	5.09	-85.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1Cl	REAL300000473596	1	38	-2.0	-97.39	347.25	8.00	-89.39
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1Cl	REAL300000473597	1	38	-2.0	-100.39	346.56	8.00	-92.39
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000473598	0	34	-2.0	-97.13	323.26	6.10	-91.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=CC=C1F	REAL300000473599	1	34	-2.0	-110.62	321.12	4.29	-106.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1	REAL300000473600	1	34	-2.0	-100.63	316.57	4.26	-96.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473601	1	34	-2.0	-113.27	316.59	4.25	-109.02
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NC=CC2=C1	REAL300000473602	0	38	-2.0	-119.41	344.73	4.05	-115.36
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1	REAL300000473603	1	38	-2.0	-100.48	348.04	5.56	-94.92
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1C(=O)[O-]	REAL300000473604	1	37	-2.0	-114.44	332.60	4.79	-109.65
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473605	0	34	-2.0	-109.44	329.65	4.83	-104.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=CC=C1Cl	REAL300000473606	1	34	-2.0	-109.00	329.10	4.65	-104.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1C	REAL300000473607	1	40	-2.0	-117.03	349.26	5.61	-111.42
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473608	0	34	-2.0	-111.09	322.06	4.32	-106.77
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1	REAL300000473609	1	40	-2.0	-99.60	360.16	5.85	-93.75
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473610	0	31	-2.0	-107.43	309.76	3.28	-104.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NC=CC2=C1	REAL300000473611	1	37	-2.0	-114.91	332.01	5.05	-109.86
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1	REAL300000473612	1	38	-2.0	-99.06	347.66	4.54	-94.52
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1C(=O)[O-]	REAL300000473613	0	35	-2.0	-111.51	323.23	3.61	-107.90
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NC=CC2=C1	REAL300000473614	1	38	-2.0	-115.20	340.79	3.08	-112.12
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473615	0	34	-2.0	-103.57	325.69	3.94	-99.63
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1C(=O)[O-]	REAL300000473616	1	40	-2.0	-116.56	347.65	5.60	-110.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=CS1	REAL300000473617	0	31	-2.0	-108.92	308.23	3.31	-105.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1C(=O)[O-]	REAL300000473618	1	38	-2.0	-119.05	343.87	4.33	-114.72
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473619	1	44	-2.0	-118.78	371.82	6.89	-111.89
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NC=CC2=C1	REAL300000473620	1	43	-2.0	-117.23	370.48	6.29	-110.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NC=CC2=C1	REAL300000473621	1	40	-2.0	-113.49	346.75	5.98	-107.51
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NC=CC2=C1	REAL300000473622	0	41	-2.0	-119.59	367.01	4.82	-114.77
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473623	0	37	-2.0	-111.92	351.68	4.70	-107.22
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473623	1	36	-3.0	-188.06	344.99	4.83	-183.23
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473624	1	41	-2.0	-119.12	360.83	6.16	-112.96
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C(C(=O)[O-])O1	REAL300000473625	0	34	-2.0	-107.42	319.59	3.41	-104.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473626	0	38	-2.0	-114.06	345.56	3.34	-110.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C(Cl)C=C1F	REAL300000473627	0	34	-2.0	-106.00	334.17	4.85	-101.15
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=CC=C1OCC(=O)[O-]	REAL300000473628	1	41	-2.0	-99.52	367.74	5.25	-94.27
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NC=CC2=C1	REAL300000473629	1	37	-2.0	-105.25	337.29	5.08	-100.17
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1F	REAL300000473630	1	38	-2.0	-98.50	353.90	4.60	-93.90
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1C(=O)[O-]	REAL300000473631	1	41	-2.0	-119.64	365.72	5.24	-114.40
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C(C(=O)[O-])S1	REAL300000473632	0	34	-2.0	-111.03	326.27	4.15	-106.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C(Cl)=C1	REAL300000473633	0	34	-2.0	-98.24	329.63	4.82	-93.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1F	REAL300000473634	1	34	-2.0	-100.07	321.12	4.30	-95.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)S1	REAL300000473635	0	31	-2.0	-102.38	308.85	3.39	-98.99
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473636	0	34	-2.0	-103.97	322.99	4.33	-99.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1F	REAL300000473637	0	37	-2.0	-112.38	342.35	4.96	-107.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C(F)=C1	REAL300000473638	0	34	-2.0	-99.99	322.04	4.33	-95.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1Cl	REAL300000473639	1	34	-2.0	-98.20	329.09	4.66	-93.54
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NC=CC2=C1	REAL300000473640	1	37	-2.0	-106.95	346.02	5.47	-101.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=CC(F)=C1F	REAL300000473641	1	34	-2.0	-102.09	327.41	4.35	-97.74
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473642	0	36	-2.0	-98.09	344.77	4.94	-93.15
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473643	0	35	-2.0	-114.12	326.29	1.97	-112.15
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473643	1	35	-2.0	-110.87	315.34	2.86	-108.01
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1	REAL300000473644	1	37	-2.0	-104.42	338.76	5.04	-99.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=CC(Cl)=C1F	REAL300000473645	1	34	-2.0	-103.54	337.30	4.79	-98.75
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NC=CC2=C1	REAL300000473646	1	37	-2.0	-109.06	326.13	4.94	-104.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=CC(C(=O)[O-])=C1F	REAL300000473647	1	37	-2.0	-111.97	341.42	4.92	-107.05
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NC=CC2=C1	REAL300000473648	1	37	-2.0	-100.96	332.00	5.04	-95.92
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=CC(C(=O)[O-])=C1C	REAL300000473649	1	40	-2.0	-117.65	353.38	5.42	-112.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=CC=C1[N+](=O)[O-]	REAL300000473650	0	36	-2.0	-111.39	343.14	5.34	-106.05
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473651	0	34	-2.0	-102.35	328.34	4.38	-97.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C(C)=C1C(=O)[O-]	REAL300000473652	1	40	-2.0	-113.35	349.97	5.66	-107.69
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1C(=O)[O-]	REAL300000473653	0	37	-2.0	-113.38	341.90	4.95	-108.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1Cl	REAL300000473654	0	37	-2.0	-111.17	348.32	5.39	-105.78
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473655	0	37	-2.0	-117.42	341.62	4.95	-112.47
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1C(=O)[O-]	REAL300000473656	1	40	-2.0	-115.13	350.82	5.44	-109.69
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1CC(=O)[O-]	REAL300000473657	1	41	-2.0	-115.45	367.05	4.39	-111.06
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NC=CC2=C1	REAL300000473658	1	37	-2.0	-102.24	342.84	5.45	-96.79
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000473659	1	37	-2.0	-110.77	347.80	5.22	-105.55
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1C(=O)[O-]	REAL300000473660	0	38	-2.0	-112.76	344.59	4.49	-108.27
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1C(=O)[O-]	REAL300000473661	1	37	-2.0	-107.61	350.32	5.32	-102.29
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=CC=C1C(=O)[O-]	REAL300000473662	1	37	-2.0	-100.83	332.59	4.81	-96.02
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NC=CC2=C1	REAL300000473663	1	37	-2.0	-112.48	336.12	5.10	-107.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1[N+](=O)[O-]	REAL300000473664	0	36	-2.0	-119.95	340.31	6.12	-113.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1F	REAL300000473665	0	34	-2.0	-116.70	320.24	4.29	-112.41
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C1C(=O)[O-]	REAL300000473666	1	37	-2.0	-105.75	341.52	4.94	-100.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=CC2=CC=CC=C21	REAL300000473667	1	40	-2.0	-121.44	357.62	6.39	-115.05
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C1	REAL300000473668	0	33	-2.0	-111.10	313.57	2.32	-108.78
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NC=CC2=C1	REAL300000473669	0	38	-2.0	-104.98	344.78	4.06	-100.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)=C(Cl)O1	REAL300000473670	0	31	-2.0	-101.04	316.73	3.24	-97.80
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(=O)NC=CC4=C3)C=C2)CC1	REAL300000473671	1	41	-2.0	-107.65	362.71	6.14	-101.51
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(=O)NC=CC4=C3)C=C2C1	REAL300000473672	1	41	-2.0	-109.97	362.03	6.15	-103.82
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NC=CC3=C2)C=C(C(=O)[O-])O1	REAL300000473673	0	37	-2.0	-107.52	338.71	4.26	-103.26
CCCC(C(=O)OCC)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000473674	0	46	-2.0	-103.71	407.70	7.65	-96.06
CCCC(C(=O)OCC)N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000473675	0	46	-2.0	-117.22	407.74	7.64	-109.58
CCCC(C(=O)OCC)N1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000473676	0	47	-2.0	-115.47	414.36	6.98	-108.49
CCCC(C(=O)OCC)N1C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300000473677	0	46	-2.0	-110.34	410.74	6.79	-103.55
CCCC(C(=O)OCC)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000473678	0	45	-2.0	-114.74	403.91	5.76	-108.98
O=C([O-])C1=CC(S(=O)(=O)N2C3=CC=CC=C3CC2CO)=CC(C(=O)[O-])=C1	REAL300000473706	0	39	-2.0	-112.55	344.74	4.74	-107.81
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2C3=CC=CC=C3CC2CO)=C1	REAL300000473731	0	37	-2.0	-112.44	317.37	3.23	-109.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1F)NC(=O)O2	REAL300000473769	1	35	-2.0	-106.81	327.39	2.47	-104.34
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)=C1	REAL300000473772	1	31	-2.0	-97.54	312.32	3.24	-94.30
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)=C1	REAL300000473775	1	31	-2.0	-98.78	304.72	2.73	-96.05
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)=C1	REAL300000473777	0	28	-2.0	-96.26	292.43	1.71	-94.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)=C1	REAL300000473782	1	31	-2.0	-92.87	308.35	2.37	-90.50
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1F)NC(=O)O2	REAL300000473788	1	38	-2.0	-106.97	349.68	3.24	-103.73
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=C(C=C2F)NC(=O)O3)=CC(C(=O)[O-])=C1	REAL300000473789	0	34	-2.0	-111.25	332.18	3.07	-108.18
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)C=C(C(=O)[O-])O1	REAL300000473791	1	31	-2.0	-96.63	302.25	1.82	-94.81
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)=C1	REAL300000473792	1	35	-2.0	-102.81	328.16	1.77	-101.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)S1	REAL300000473799	1	28	-2.0	-91.61	291.50	1.81	-89.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)=C1F	REAL300000473801	1	34	-2.0	-100.11	325.00	3.37	-96.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)C(F)=C1	REAL300000473802	1	31	-2.0	-89.46	304.71	2.74	-86.72
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(C=C2F)NC(=O)O3)=C1	REAL300000473806	0	32	-2.0	-106.46	311.65	1.13	-105.33
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)=C1	REAL300000473813	1	31	-2.0	-90.86	310.98	2.81	-88.05
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)C=C1C(=O)[O-]	REAL300000473815	1	34	-2.0	-99.77	320.72	3.28	-96.49
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)=C1	REAL300000473816	1	34	-2.0	-106.33	324.26	3.37	-102.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)=C1[N+](=O)[O-]	REAL300000473822	0	33	-2.0	-108.67	322.98	4.53	-104.14
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)=C1F	REAL300000473823	1	31	-2.0	-105.53	302.88	2.70	-102.83
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)=C1	REAL300000473825	0	30	-2.0	-99.31	295.46	0.81	-98.50
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1F)NC(=O)O2	REAL300000473826	1	35	-2.0	-94.12	327.45	2.47	-91.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)=C(Cl)O1	REAL300000473827	0	28	-2.0	-90.43	299.35	1.66	-88.77
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)O3)C=C(C(=O)[O-])O1	REAL300000473830	1	34	-2.0	-96.62	321.37	2.67	-93.95
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)=CC=C12	REAL300000473831	1	40	-2.0	-87.22	366.74	3.63	-83.59
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C12	REAL300000473832	1	33	-2.0	-102.90	314.83	5.09	-97.81
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C)=NOC2=C1	REAL300000473833	0	41	-2.0	-103.12	369.91	6.14	-96.98
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C12	REAL300000473834	1	33	-2.0	-93.39	310.26	5.06	-88.33
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C12	REAL300000473835	1	33	-2.0	-105.04	310.28	5.06	-99.98
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C)=NOC2=C1	REAL300000473836	0	37	-2.0	-109.16	338.43	4.85	-104.31
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C12	REAL300000473837	1	37	-2.0	-93.03	341.74	6.34	-86.69
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000473838	1	36	-2.0	-105.95	326.30	5.59	-100.36
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C12	REAL300000473839	0	33	-2.0	-99.93	323.36	5.63	-94.30
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C12	REAL300000473840	1	33	-2.0	-101.06	322.80	5.45	-95.61
CC1=NOC2=CC([N-]S(=O)(=O)C3=C(C)C(C)=CC(C(=O)[O-])=C3)=CC=C12	REAL300000473841	1	39	-2.0	-106.60	342.68	6.38	-100.22
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C12	REAL300000473842	0	33	-2.0	-101.34	315.76	5.12	-96.22
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C12	REAL300000473843	1	39	-2.0	-91.88	353.85	6.64	-85.24
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C12	REAL300000473844	0	30	-2.0	-99.48	303.47	4.08	-95.40
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C12	REAL300000473845	1	36	-2.0	-104.90	325.72	5.85	-99.05
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=CC=C12	REAL300000473846	1	37	-2.0	-91.67	341.35	5.33	-86.34
CC1=NOC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000473847	0	34	-2.0	-103.56	316.92	4.41	-99.15
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)=CC=C12	REAL300000473848	1	37	-2.0	-105.54	334.49	3.88	-101.66
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(C)=NOC3=C2)=C1	REAL300000473849	0	33	-2.0	-95.89	319.40	4.74	-91.15
CC1=NOC2=CC([N-]S(=O)(=O)C3=C(C)C=C(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000473850	1	39	-2.0	-105.92	341.74	6.38	-99.54
CC1=NOC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C12	REAL300000473851	0	30	-2.0	-100.94	301.93	4.10	-96.84
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C)=NOC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000473852	1	41	-2.0	-105.32	368.59	4.87	-100.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NOC3=C2)C=C1C(=O)[O-]	REAL300000473853	1	37	-2.0	-110.80	337.58	5.12	-105.68
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)=CC=C12	REAL300000473854	1	43	-2.0	-108.35	365.54	7.68	-100.67
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)=CC=C12	REAL300000473855	1	42	-2.0	-106.82	364.19	7.07	-99.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C)=NOC2=C1	REAL300000473856	1	39	-2.0	-103.24	340.44	6.79	-96.45
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C)=NOC2=C1	REAL300000473857	0	40	-2.0	-110.61	360.72	5.62	-104.99
CC1=NOC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C12	REAL300000473858	0	36	-2.0	-111.38	341.20	5.61	-105.77
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C12	REAL300000473858	1	35	-3.0	-179.44	338.70	5.62	-173.82
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C12	REAL300000473859	1	40	-2.0	-108.73	354.54	6.96	-101.77
CC1=NOC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C12	REAL300000473860	0	33	-2.0	-98.78	313.29	4.20	-94.58
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)=CC=C12	REAL300000473861	1	39	-2.0	-109.70	352.46	4.83	-104.87
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC=C12	REAL300000473862	0	37	-2.0	-106.56	339.27	4.14	-102.42
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)=CC=C12	REAL300000473863	1	41	-2.0	-91.98	363.20	5.66	-86.32
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=CC=C12	REAL300000473864	0	33	-2.0	-97.03	327.88	5.66	-91.37
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)=CC=C12	REAL300000473865	1	37	-2.0	-90.41	357.39	5.88	-84.53
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(C)=C3)=CC=C12	REAL300000473866	1	40	-2.0	-92.10	361.44	6.05	-86.05
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=CC=C12	REAL300000473867	1	36	-2.0	-96.02	331.00	5.88	-90.14
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=CC=C12	REAL300000473868	1	37	-2.0	-91.51	347.59	5.41	-86.10
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NOC3=C2)C=C1C(=O)[O-]	REAL300000473869	1	40	-2.0	-111.45	359.43	6.03	-105.42
CC1=NOC2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C12	REAL300000473870	0	33	-2.0	-101.56	319.98	4.95	-96.61
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C12	REAL300000473871	0	33	-2.0	-91.11	323.34	5.62	-85.49
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C12	REAL300000473872	1	33	-2.0	-93.08	314.81	5.10	-87.98
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C12	REAL300000473873	0	30	-2.0	-94.75	302.56	4.19	-90.56
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C12	REAL300000473874	0	33	-2.0	-96.17	316.69	5.12	-91.05
CC1=NOC2=CC([N-]S(=O)(=O)C3=C(F)C(C)=CC(C(=O)[O-])=C3)=CC=C12	REAL300000473875	0	36	-2.0	-102.61	336.04	5.76	-96.85
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C)=NOC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000473876	0	37	-2.0	-95.90	350.59	5.69	-90.21
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C12	REAL300000473877	0	33	-2.0	-92.75	315.75	5.13	-87.62
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C12	REAL300000473878	1	33	-2.0	-91.03	322.78	5.46	-85.57
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)=CC=C12	REAL300000473879	1	36	-2.0	-97.59	339.73	6.26	-91.33
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)=CC=C12	REAL300000473880	1	41	-2.0	-89.99	374.03	6.47	-83.52
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C12	REAL300000473881	1	33	-2.0	-94.74	321.10	5.15	-89.59
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC=C12	REAL300000473882	0	35	-2.0	-90.60	338.49	5.73	-84.87
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C12	REAL300000473883	0	34	-2.0	-103.49	320.00	2.77	-100.72
CC1=NOC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C12	REAL300000473883	1	34	-2.0	-105.18	319.22	3.58	-101.60
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C12	REAL300000473884	1	36	-2.0	-95.77	332.45	5.83	-89.94
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=CC=C12	REAL300000473885	1	33	-2.0	-96.05	330.99	5.59	-90.46
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C12	REAL300000473886	1	36	-2.0	-102.25	320.36	5.70	-96.55
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C(C)=C3)=CC=C12	REAL300000473887	1	36	-2.0	-104.08	335.13	5.71	-98.37
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=CC=C12	REAL300000473888	1	36	-2.0	-93.48	325.70	5.84	-87.64
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C(C)=C3)=CC=C12	REAL300000473889	1	39	-2.0	-109.04	347.78	6.26	-102.78
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=CC=C12	REAL300000473890	0	35	-2.0	-104.32	336.84	6.15	-98.17
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C12	REAL300000473891	0	33	-2.0	-93.54	322.04	5.18	-88.36
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=CC=C12	REAL300000473892	1	39	-2.0	-106.42	344.77	6.46	-99.96
CC1=NOC2=CC([N-]S(=O)(=O)C3=C(F)C=C(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000473893	0	36	-2.0	-103.49	335.60	5.75	-97.74
CC1=NOC2=CC([N-]S(=O)(=O)C3=C(Cl)C(C)=CC(C(=O)[O-])=C3)=CC=C12	REAL300000473894	0	36	-2.0	-101.55	342.05	6.19	-95.36
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC=C12	REAL300000473895	0	36	-2.0	-110.75	335.32	5.75	-105.00
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NOC3=C2)C=C1C(=O)[O-]	REAL300000473896	1	39	-2.0	-106.60	344.25	6.24	-100.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NOC3=C2)C=C1CC(=O)[O-]	REAL300000473897	1	40	-2.0	-108.52	360.76	5.19	-103.33
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)=CC=C12	REAL300000473898	1	36	-2.0	-95.41	336.55	6.24	-89.17
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C(C)=C3)=CC=C12	REAL300000473899	1	36	-2.0	-102.63	341.53	6.02	-96.61
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NOC3=C2)C=C1C(=O)[O-]	REAL300000473900	0	37	-2.0	-104.76	338.31	5.28	-99.48
CC1=NOC2=CC([N-]S(=O)(=O)C3=C(C)C=C(C)C(CC(=O)[O-])=C3C)=CC=C12	REAL300000473901	1	45	-2.0	-106.78	375.43	7.94	-98.84
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000473902	1	36	-2.0	-99.60	344.02	6.13	-93.47
CC1=NOC2=CC([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)=CC=C12	REAL300000473903	0	42	-2.0	-101.70	359.74	7.20	-94.50
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NOC3=C2)C=C1C(=O)[O-]	REAL300000473904	0	37	-2.0	-105.49	350.61	5.70	-99.79
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C12	REAL300000473905	1	36	-2.0	-93.34	326.29	5.60	-87.74
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])=CC=C12	REAL300000473906	0	38	-2.0	-99.18	353.55	7.25	-91.93
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=CC=C12	REAL300000473907	1	36	-2.0	-102.59	330.24	5.88	-96.71
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=CC=C12	REAL300000473908	0	35	-2.0	-113.49	334.01	6.92	-106.57
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C12	REAL300000473909	0	33	-2.0	-110.11	313.95	5.09	-105.02
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000473910	1	36	-2.0	-97.97	335.23	5.73	-92.24
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C12	REAL300000473911	1	39	-2.0	-113.03	351.33	7.19	-105.84
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C12	REAL300000473912	0	32	-2.0	-100.86	307.28	3.11	-97.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C)=NOC2=C1	REAL300000473913	0	37	-2.0	-97.15	338.49	4.86	-92.29
CC1=NOC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C12	REAL300000473914	0	30	-2.0	-93.02	310.43	4.04	-88.98
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C12	REAL300000473915	1	40	-2.0	-99.19	356.41	6.94	-92.25
CC1=NOC2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C12	REAL300000473916	1	40	-2.0	-103.91	355.73	6.95	-96.96
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(C)=NOC3=C2)C=C(C(=O)[O-])O1	REAL300000473917	0	36	-2.0	-98.44	332.42	5.05	-93.39
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC(Br)=C1F	REAL300000473918	1	31	-2.0	-85.83	311.49	6.41	-79.42
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC(Br)=C1F	REAL300000473919	1	31	-2.0	-97.34	311.49	6.40	-90.94
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC(Br)=C1F	REAL300000473920	0	28	-2.0	-91.91	304.68	5.42	-86.49
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC(Br)=C1F	REAL300000473921	0	32	-2.0	-95.89	318.14	5.75	-90.14
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC(Br)=C1F	REAL300000473922	0	28	-2.0	-93.37	303.14	5.44	-87.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C(F)=C2C)C=C(C(=O)[O-])O1	REAL300000473923	0	31	-2.0	-92.00	314.50	5.54	-86.46
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC(Br)=C1F	REAL300000473924	0	28	-2.0	-87.06	303.75	5.53	-81.53
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC(Br)=C1F	REAL300000473925	0	30	-2.0	-94.39	308.46	4.47	-89.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=CC=C1F	REAL300000473926	1	35	-2.0	-113.07	337.49	6.99	-106.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C1	REAL300000473927	1	35	-2.0	-99.68	329.03	6.74	-92.94
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=C1	REAL300000473928	1	35	-2.0	-116.01	332.96	6.96	-109.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C(F)F)C2=CC=C1	REAL300000473929	0	39	-2.0	-121.98	361.10	6.76	-115.22
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C1	REAL300000473930	1	39	-2.0	-99.17	360.49	8.04	-91.13
CC1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C1C(=O)[O-]	REAL300000473931	1	38	-2.0	-118.49	353.03	7.61	-110.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=C1C	REAL300000473932	1	41	-2.0	-114.84	361.44	8.06	-106.78
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=C1	REAL300000473933	0	35	-2.0	-113.73	338.43	7.01	-106.72
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C1	REAL300000473934	1	41	-2.0	-98.44	372.61	8.34	-90.10
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=C1	REAL300000473935	0	32	-2.0	-109.99	326.15	5.97	-104.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C(F)F)C2=CC=C1	REAL300000473936	1	38	-2.0	-117.01	348.39	7.74	-109.27
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C1	REAL300000473937	1	39	-2.0	-97.74	360.11	7.03	-90.71
CN1C=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C1C(=O)[O-]	REAL300000473938	0	36	-2.0	-110.62	335.69	6.09	-104.53
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C(F)F)C2=CC=C1	REAL300000473939	1	39	-2.0	-117.24	357.16	5.77	-111.47
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=C1	REAL300000473940	0	35	-2.0	-106.00	342.07	6.63	-99.37
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C1C(=O)[O-]	REAL300000473941	1	41	-2.0	-118.25	364.41	8.28	-109.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=CS1	REAL300000473942	0	32	-2.0	-108.54	320.69	5.79	-102.75
COC1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C1C(=O)[O-]	REAL300000473943	1	39	-2.0	-121.75	360.24	7.03	-114.72
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C(F)F)C2=CC=C1	REAL300000473944	1	41	-2.0	-115.00	363.09	8.68	-106.32
CC1=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C(C(=O)[O-])O1	REAL300000473945	0	35	-2.0	-105.84	332.05	5.89	-99.95
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=C1	REAL300000473946	0	39	-2.0	-114.03	357.96	5.82	-108.21
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C(F)F)C2=CC=C1	REAL300000473947	0	38	-2.0	-103.34	349.75	7.56	-95.78
CC1=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C(C(=O)[O-])S1	REAL300000473948	0	35	-2.0	-113.22	341.59	6.84	-106.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C1F	REAL300000473949	1	35	-2.0	-102.18	337.48	7.00	-95.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)S1	REAL300000473950	0	32	-2.0	-101.61	321.30	5.87	-95.74
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=C1	REAL300000473951	0	35	-2.0	-106.57	339.38	7.02	-99.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=C1F	REAL300000473952	0	38	-2.0	-111.26	354.80	7.46	-103.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C(F)=C1	REAL300000473953	0	35	-2.0	-99.36	334.51	6.82	-92.54
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=C1	REAL300000473954	0	36	-2.0	-116.13	342.68	4.67	-111.46
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C1	REAL300000473955	1	38	-2.0	-103.45	351.21	7.53	-95.92
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C2C=CN(C(F)F)C2=CC=C1	REAL300000473956	1	38	-2.0	-111.51	343.00	7.59	-103.92
CC1=CC(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=CC(C(=O)[O-])=C1F	REAL300000473957	1	38	-2.0	-114.55	357.81	7.60	-106.95
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2C=CN(C(F)F)C2=CC=C1	REAL300000473958	1	38	-2.0	-99.59	344.45	7.54	-92.05
CC1=CC(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=CC(C(=O)[O-])=C1C	REAL300000473959	1	41	-2.0	-120.55	370.46	8.15	-112.40
CC1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C(C)=C1C(=O)[O-]	REAL300000473960	1	41	-2.0	-115.65	367.44	8.35	-107.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C1C(=O)[O-]	REAL300000473961	0	38	-2.0	-116.04	358.28	7.65	-108.39
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=C1	REAL300000473962	0	38	-2.0	-118.04	354.08	7.45	-110.59
CCC1=CC=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C1C(=O)[O-]	REAL300000473963	1	41	-2.0	-117.96	367.20	8.15	-109.81
CCN1C=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C1C(=O)[O-]	REAL300000473964	0	39	-2.0	-111.84	357.07	6.97	-104.87
CC1=CC(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=CC=C1C(=O)[O-]	REAL300000473965	1	38	-2.0	-103.09	348.97	7.50	-95.59
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2C=CN(C(F)F)C2=CC=C1	REAL300000473966	1	38	-2.0	-114.35	352.49	7.79	-106.56
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=C1F	REAL300000473967	0	35	-2.0	-119.74	336.60	6.98	-112.76
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C1C(=O)[O-]	REAL300000473968	1	38	-2.0	-108.47	357.92	7.63	-100.84
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=C1	REAL300000473969	0	34	-2.0	-113.60	329.95	5.02	-108.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2C=CN(C(F)F)C2=CC=C1	REAL300000473970	0	39	-2.0	-103.89	357.25	6.54	-97.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)=C(Cl)O1	REAL300000473971	0	32	-2.0	-99.78	329.14	5.72	-94.06
CCC1=C(S(=O)(=O)[N-]C2=C3C=CN(C(F)F)C3=CC=C2)C=C(C(=O)[O-])O1	REAL300000473972	0	38	-2.0	-105.43	351.17	6.74	-98.69
O=C([O-])C1=CC(S(=O)(=O)N2CCC(=O)C3=CC(O)=CC=C32)=CC(C(=O)[O-])=C1	REAL300000473996	0	38	-2.0	-109.08	343.89	4.26	-104.82
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC(=O)C3=CC(O)=CC=C32)=C1	REAL300000474016	0	36	-2.0	-100.73	325.30	2.56	-98.17
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000474047	1	32	-2.0	-102.24	326.29	6.63	-95.61
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000474048	1	32	-2.0	-92.42	321.74	6.61	-85.81
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000474049	1	32	-2.0	-104.66	321.76	6.60	-98.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1SC	REAL300000474050	0	36	-2.0	-109.69	349.90	6.39	-103.30
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000474051	1	36	-2.0	-91.77	353.21	7.89	-83.88
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000474052	1	35	-2.0	-105.76	337.78	7.12	-98.64
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000474053	0	32	-2.0	-100.04	334.83	7.17	-92.87
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000474054	1	32	-2.0	-100.53	334.27	6.99	-93.54
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000474055	1	38	-2.0	-107.08	354.86	7.93	-99.15
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000474056	0	32	-2.0	-101.78	327.24	6.66	-95.12
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000474057	0	38	-2.0	-90.96	365.33	8.18	-82.78
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000474058	0	29	-2.0	-99.14	314.94	5.61	-93.53
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000474059	1	35	-2.0	-105.21	337.20	7.38	-97.83
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000474060	1	36	-2.0	-90.45	352.83	6.87	-83.58
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000474061	0	33	-2.0	-103.02	328.41	5.94	-97.08
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000474062	1	36	-2.0	-105.89	345.54	5.43	-100.46
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000474063	0	32	-2.0	-95.25	330.87	6.27	-88.98
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000474064	1	38	-2.0	-106.34	353.21	7.92	-98.42
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000474065	0	29	-2.0	-100.54	313.41	5.63	-94.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2SC)C=C1C(=O)[O-]	REAL300000474066	1	36	-2.0	-110.46	349.05	6.66	-103.80
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000474067	1	41	-2.0	-107.21	375.66	8.60	-98.61
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1SC	REAL300000474068	1	38	-2.0	-103.30	350.62	8.25	-95.05
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000474069	1	39	-2.0	-109.43	366.00	8.49	-100.94
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000474070	0	32	-2.0	-98.61	324.76	5.73	-92.88
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000474071	0	36	-2.0	-105.71	350.68	5.69	-100.02
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000474072	0	35	-2.0	-96.07	342.47	7.40	-88.67
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000474073	0	32	-2.0	-101.81	330.39	6.49	-95.32
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000474074	0	32	-2.0	-89.91	334.81	7.16	-82.75
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000474075	0	32	-2.0	-92.07	326.29	6.64	-85.43
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000474076	0	29	-2.0	-94.08	314.02	5.72	-88.36
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000474077	0	32	-2.0	-95.70	328.18	6.65	-89.05
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000474078	0	35	-2.0	-103.28	347.50	7.29	-95.99
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000474079	0	32	-2.0	-91.89	327.22	6.67	-85.22
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000474080	1	32	-2.0	-90.05	334.27	7.00	-83.05
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000474081	0	32	-2.0	-93.96	332.58	6.69	-87.27
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000474082	0	33	-2.0	-103.98	331.48	4.29	-99.69
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000474083	0	35	-2.0	-95.70	343.93	7.37	-88.33
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000474084	1	35	-2.0	-100.84	331.80	7.23	-93.61
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000474085	1	35	-2.0	-103.55	346.59	7.25	-96.30
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000474086	1	35	-2.0	-92.53	337.17	7.37	-85.16
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000474087	1	38	-2.0	-107.69	354.64	7.66	-100.03
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000474088	0	32	-2.0	-93.67	333.49	6.72	-86.95
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000474089	1	38	-2.0	-105.11	356.24	7.99	-97.12
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000474090	0	35	-2.0	-102.90	343.24	7.20	-95.70
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000474091	0	35	-2.0	-109.56	346.79	7.28	-102.28
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2SC)C=C1C(=O)[O-]	REAL300000474092	1	38	-2.0	-106.42	355.73	7.77	-98.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2SC)C=C1C(=O)[O-]	REAL300000474093	0	36	-2.0	-104.28	349.78	6.82	-97.46
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000474094	1	35	-2.0	-94.04	341.83	7.23	-86.81
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000474095	1	35	-2.0	-102.68	341.71	7.41	-95.27
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000474096	0	32	-2.0	-108.76	325.39	6.61	-102.15
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000474097	0	35	-2.0	-96.46	342.92	7.17	-89.29
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000474098	0	31	-2.0	-102.50	317.97	4.71	-97.79
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1SC	REAL300000474099	0	36	-2.0	-96.40	349.96	6.39	-90.01
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000474100	0	29	-2.0	-92.72	321.86	5.56	-87.16
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000474101	0	39	-2.0	-98.72	367.89	8.48	-90.24
CSC1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000474102	0	39	-2.0	-101.61	365.85	8.46	-93.15
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2SC)C=C(C(=O)[O-])O1	REAL300000474103	0	35	-2.0	-98.22	343.87	6.58	-91.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CC=C1F	REAL300000474104	1	36	-2.0	-108.26	329.61	3.50	-104.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1	REAL300000474105	1	36	-2.0	-98.60	325.04	3.48	-95.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1	REAL300000474106	1	36	-2.0	-111.35	325.06	3.47	-107.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NCCC2=C1	REAL300000474107	0	40	-2.0	-117.62	353.21	3.28	-114.34
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1	REAL300000474108	1	40	-2.0	-98.46	356.52	4.77	-93.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1C(=O)[O-]	REAL300000474109	1	39	-2.0	-111.87	341.08	4.00	-107.87
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1	REAL300000474110	0	36	-2.0	-107.62	338.13	4.04	-103.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CC=C1Cl	REAL300000474111	1	36	-2.0	-106.60	337.58	3.86	-102.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1C	REAL300000474112	1	42	-2.0	-115.47	357.74	4.83	-110.64
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1	REAL300000474113	0	36	-2.0	-109.10	330.54	3.53	-105.57
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1	REAL300000474114	1	42	-2.0	-97.96	368.65	5.06	-92.90
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1	REAL300000474115	0	33	-2.0	-105.44	318.26	2.50	-102.94
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NCCC2=C1	REAL300000474116	1	39	-2.0	-113.35	340.50	4.26	-109.09
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1	REAL300000474117	1	40	-2.0	-97.13	356.14	3.76	-93.37
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1C(=O)[O-]	REAL300000474118	0	37	-2.0	-109.56	331.72	2.83	-106.73
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NCCC2=C1	REAL300000474119	1	40	-2.0	-113.60	349.27	2.29	-111.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1	REAL300000474120	0	36	-2.0	-101.26	334.18	3.15	-98.11
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1C(=O)[O-]	REAL300000474121	1	42	-2.0	-114.89	356.14	4.82	-110.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CS1	REAL300000474122	0	33	-2.0	-106.51	316.71	2.52	-103.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1C(=O)[O-]	REAL300000474123	1	40	-2.0	-116.55	352.36	3.54	-113.01
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NCCC2=C1	REAL300000474124	1	45	-2.0	-115.64	378.97	5.49	-110.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NCCC2=C1	REAL300000474125	1	42	-2.0	-112.06	355.24	5.20	-106.86
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NCCC2=C1	REAL300000474126	0	43	-2.0	-117.88	375.50	4.04	-113.84
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3C(=O)NCCC3=C2)=CC(C(=O)[O-])=C1	REAL300000474127	0	39	-2.0	-116.90	356.21	4.01	-112.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CC(C(=O)[O-])=C1	REAL300000474127	1	38	-3.0	-184.98	353.47	4.04	-180.94
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1	REAL300000474128	1	43	-2.0	-117.43	369.31	5.38	-112.05
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C(C(=O)[O-])O1	REAL300000474129	0	36	-2.0	-105.77	328.07	2.62	-103.15
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1	REAL300000474130	0	40	-2.0	-111.54	354.05	2.56	-108.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C(Cl)C=C1F	REAL300000474131	0	36	-2.0	-104.30	342.66	4.07	-100.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CC=C1OCC(=O)[O-]	REAL300000474132	1	43	-2.0	-97.55	376.22	4.46	-93.09
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NCCC2=C1	REAL300000474133	1	39	-2.0	-103.52	345.78	4.30	-99.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1F	REAL300000474134	1	40	-2.0	-96.64	362.37	3.82	-92.82
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1C(=O)[O-]	REAL300000474135	1	43	-2.0	-117.11	374.22	4.45	-112.66
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C(C(=O)[O-])S1	REAL300000474136	0	36	-2.0	-109.35	334.76	3.36	-105.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C(Cl)=C1	REAL300000474137	0	36	-2.0	-96.14	338.12	4.03	-92.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1F	REAL300000474138	1	36	-2.0	-97.99	329.60	3.51	-94.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)S1	REAL300000474139	0	33	-2.0	-100.13	317.34	2.60	-97.53
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1	REAL300000474140	0	36	-2.0	-102.04	331.48	3.54	-98.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1F	REAL300000474141	0	39	-2.0	-110.42	350.84	4.17	-106.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C(F)=C1	REAL300000474142	0	36	-2.0	-97.74	330.53	3.54	-94.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1Cl	REAL300000474143	1	36	-2.0	-96.13	337.57	3.87	-92.26
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NCCC2=C1	REAL300000474144	1	39	-2.0	-105.29	354.51	4.68	-100.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CC(F)=C1F	REAL300000474145	1	36	-2.0	-99.73	335.90	3.56	-96.17
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1	REAL300000474146	0	38	-2.0	-95.82	353.27	4.14	-91.68
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1	REAL300000474147	0	37	-2.0	-112.46	334.78	1.19	-111.27
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3C(=O)NCCC3=C2)=C1	REAL300000474147	1	37	-2.0	-112.21	333.91	2.07	-110.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1	REAL300000474148	1	39	-2.0	-102.84	347.26	4.26	-98.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CC(Cl)=C1F	REAL300000474149	1	36	-2.0	-101.17	345.79	4.00	-97.17
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NCCC2=C1	REAL300000474150	1	39	-2.0	-106.28	335.11	4.11	-102.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CC(C(=O)[O-])=C1F	REAL300000474151	1	39	-2.0	-110.09	349.92	4.12	-105.97
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NCCC2=C1	REAL300000474152	1	39	-2.0	-99.08	340.48	4.25	-94.83
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CC(C(=O)[O-])=C1C	REAL300000474153	1	42	-2.0	-113.77	357.95	4.54	-109.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000474154	0	38	-2.0	-108.97	351.64	4.56	-104.41
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1	REAL300000474155	0	36	-2.0	-100.36	336.82	3.60	-96.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C(C)=C1C(=O)[O-]	REAL300000474156	1	42	-2.0	-110.72	358.46	4.89	-105.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1C(=O)[O-]	REAL300000474157	0	39	-2.0	-111.36	350.38	4.17	-107.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1Cl	REAL300000474158	0	39	-2.0	-109.42	356.81	4.61	-104.81
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1	REAL300000474159	0	39	-2.0	-114.54	350.10	4.16	-110.38
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1C(=O)[O-]	REAL300000474160	1	42	-2.0	-112.55	359.35	4.66	-107.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1CC(=O)[O-]	REAL300000474161	1	43	-2.0	-113.27	375.54	3.60	-109.67
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NCCC2=C1	REAL300000474162	1	39	-2.0	-99.77	351.33	4.65	-95.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000474163	1	39	-2.0	-108.89	356.31	4.43	-104.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1C(=O)[O-]	REAL300000474164	0	40	-2.0	-110.83	353.09	3.69	-107.14
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1C(=O)[O-]	REAL300000474165	1	39	-2.0	-105.13	358.80	4.54	-100.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CC=C1C(=O)[O-]	REAL300000474166	1	39	-2.0	-98.66	341.07	4.01	-94.65
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NCCC2=C1	REAL300000474167	1	39	-2.0	-111.00	344.60	4.31	-106.69
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CC=C1	REAL300000474168	0	38	-2.0	-116.98	348.80	5.34	-111.64
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CC=C1	REAL300000474169	0	36	-2.0	-113.81	328.69	3.50	-110.31
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C1C(=O)[O-]	REAL300000474170	1	39	-2.0	-103.30	350.00	4.15	-99.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=CC2=CC=CC=C21	REAL300000474171	1	42	-2.0	-118.80	366.11	5.59	-113.21
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C1	REAL300000474172	0	35	-2.0	-109.30	322.06	1.53	-107.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)NCCC2=C1	REAL300000474173	0	40	-2.0	-102.96	353.27	3.27	-99.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)=C(Cl)O1	REAL300000474174	0	33	-2.0	-99.17	325.22	2.45	-96.72
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(=O)NCCC4=C3)C=C2)CC1	REAL300000474175	1	43	-2.0	-105.86	371.19	5.36	-100.50
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(=O)NCCC4=C3)C=C2C1	REAL300000474176	1	43	-2.0	-107.67	370.51	5.37	-102.30
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)NCCC3=C2)C=C(C(=O)[O-])O1	REAL300000474177	0	39	-2.0	-105.88	347.19	3.47	-102.41
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000474178	0	39	-2.0	-85.35	371.56	4.80	-80.55
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000474179	0	32	-2.0	-100.46	319.63	6.25	-94.21
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1SC	REAL300000474180	0	40	-2.0	-101.92	374.70	7.30	-94.62
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000474181	0	32	-2.0	-91.51	315.07	6.22	-85.29
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000474182	0	32	-2.0	-102.74	315.10	6.22	-96.52
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1SC	REAL300000474183	0	36	-2.0	-108.69	343.22	6.01	-102.68
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000474184	0	36	-2.0	-91.10	346.55	7.50	-83.60
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000474185	0	35	-2.0	-103.82	331.10	6.76	-97.06
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000474186	0	32	-2.0	-99.05	328.16	6.77	-92.28
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000474187	0	32	-2.0	-98.79	327.61	6.60	-92.19
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000474188	0	38	-2.0	-106.68	347.75	7.56	-99.12
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000474189	0	32	-2.0	-100.63	320.55	6.28	-94.35
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000474190	0	38	-2.0	-90.30	358.67	7.80	-82.50
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000474191	0	29	-2.0	-98.64	308.27	5.24	-93.40
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000474192	0	35	-2.0	-104.53	330.52	7.00	-97.53
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000474193	1	36	-2.0	-89.65	346.17	6.50	-83.15
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000474194	0	33	-2.0	-102.43	321.74	5.57	-96.86
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000474195	1	36	-2.0	-105.19	338.87	5.05	-100.14
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000474196	0	32	-2.0	-94.01	324.20	5.90	-88.11
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000474197	1	38	-2.0	-105.67	346.54	7.53	-98.14
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000474198	0	29	-2.0	-100.03	306.75	5.25	-94.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2SC)C=C1C(=O)[O-]	REAL300000474199	1	36	-2.0	-110.09	342.38	6.29	-103.80
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000474200	0	42	-2.0	-108.26	370.32	8.85	-99.41
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000474201	0	41	-2.0	-106.39	368.59	8.20	-98.19
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1SC	REAL300000474202	0	38	-2.0	-102.63	336.19	7.65	-94.98
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1SC	REAL300000474203	0	39	-2.0	-109.60	365.51	6.78	-102.82
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000474204	0	34	-3.0	-178.66	343.49	6.79	-171.87
CSC1=C(F)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000474204	1	35	-2.0	-103.82	342.81	6.69	-97.13
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000474205	0	39	-2.0	-107.00	359.33	8.12	-98.88
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000474206	0	32	-2.0	-96.86	318.09	5.36	-91.50
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000474207	0	38	-2.0	-109.08	357.25	5.98	-103.10
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000474208	0	36	-2.0	-104.01	344.01	5.31	-98.70
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000474209	1	40	-2.0	-89.67	368.02	6.82	-82.85
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000474210	0	32	-2.0	-96.13	332.68	6.80	-89.33
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000474211	1	39	-2.0	-90.13	366.25	7.21	-82.92
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000474212	0	35	-2.0	-95.36	335.80	7.03	-88.33
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000474213	0	36	-2.0	-89.27	352.38	6.57	-82.70
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2SC)C=C1C(=O)[O-]	REAL300000474214	1	39	-2.0	-109.28	364.24	7.20	-102.08
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000474215	0	32	-2.0	-101.00	324.78	6.09	-94.91
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000474216	0	32	-2.0	-89.11	328.14	6.78	-82.33
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000474217	0	32	-2.0	-91.14	319.60	6.26	-84.88
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000474218	0	29	-2.0	-92.98	307.35	5.34	-87.64
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000474219	0	32	-2.0	-94.08	321.51	6.29	-87.79
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000474220	0	35	-2.0	-101.27	340.83	6.92	-94.35
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000474221	0	32	-2.0	-91.09	320.55	6.29	-84.80
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000474222	0	32	-2.0	-89.11	327.57	6.62	-82.49
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000474223	0	35	-2.0	-96.98	344.53	7.41	-89.57
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000474224	0	40	-2.0	-88.00	378.83	7.62	-80.38
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000474225	0	32	-2.0	-93.65	325.91	6.32	-87.33
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000474226	0	34	-2.0	-89.44	343.28	6.88	-82.56
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000474227	0	33	-2.0	-103.05	324.81	3.91	-99.14
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000474228	0	35	-2.0	-95.88	337.27	7.00	-88.88
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000474229	0	32	-2.0	-95.01	335.80	6.75	-88.26
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000474230	0	35	-2.0	-100.55	325.12	6.84	-93.71
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000474231	0	35	-2.0	-101.83	339.92	6.87	-94.96
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000474232	1	35	-2.0	-91.40	330.50	6.99	-84.41
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000474233	0	38	-2.0	-107.08	348.55	7.31	-99.77
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000474234	0	34	-2.0	-103.10	341.64	7.32	-95.78
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000474235	0	32	-2.0	-92.11	326.82	6.35	-85.76
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000474236	1	38	-2.0	-103.71	348.62	7.62	-96.09
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000474237	0	35	-2.0	-102.82	340.40	6.90	-95.92
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000474238	0	35	-2.0	-99.88	346.87	7.36	-92.52
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000474239	0	35	-2.0	-107.74	340.12	6.91	-100.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2SC)C=C1C(=O)[O-]	REAL300000474240	0	38	-2.0	-104.42	349.41	7.41	-97.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2SC)C=C1CC(=O)[O-]	REAL300000474241	1	39	-2.0	-104.26	365.56	6.34	-97.92
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000474242	0	35	-2.0	-92.85	341.35	7.39	-85.46
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000474243	0	35	-2.0	-100.53	346.31	7.18	-93.35
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2SC)C=C1C(=O)[O-]	REAL300000474244	0	36	-2.0	-102.59	343.04	6.41	-96.18
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000474245	1	44	-2.0	-103.23	380.24	9.09	-94.14
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000474246	0	35	-2.0	-97.49	344.96	7.19	-90.30
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000474247	0	35	-2.0	-91.62	331.09	6.77	-84.85
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000474248	1	35	-2.0	-102.49	334.62	7.05	-95.44
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000474249	0	34	-2.0	-109.25	336.88	8.00	-101.25
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000474250	0	32	-2.0	-106.94	318.72	6.24	-100.70
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000474251	0	35	-2.0	-95.85	336.26	6.79	-89.06
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000474252	0	38	-2.0	-110.88	356.13	8.34	-102.54
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000474253	0	31	-2.0	-100.18	312.07	4.27	-95.91
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1SC	REAL300000474254	0	36	-2.0	-95.26	343.29	6.02	-89.24
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000474255	0	29	-2.0	-91.43	315.19	5.19	-86.24
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000474256	0	39	-2.0	-98.04	359.68	8.06	-89.98
CSC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000474257	0	39	-2.0	-93.15	360.17	8.09	-85.06
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2SC)C=C(C(=O)[O-])O1	REAL300000474258	0	35	-2.0	-96.27	337.22	6.21	-90.06
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1	REAL300000474259	0	36	-2.0	-89.84	344.59	-1.02	-90.86
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC=C1F	REAL300000474260	0	29	-2.0	-105.68	292.66	0.41	-105.27
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=NN1	REAL300000474261	0	37	-2.0	-105.33	347.75	1.49	-103.84
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474262	0	29	-2.0	-101.80	304.55	1.07	-100.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1	REAL300000474263	0	29	-2.0	-96.13	288.12	0.39	-95.74
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474264	0	29	-2.0	-107.74	288.13	0.38	-107.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=NN1	REAL300000474265	0	33	-2.0	-111.55	316.28	0.20	-111.35
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC=C1Br	REAL300000474266	0	29	-2.0	-103.37	304.37	0.87	-102.50
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1	REAL300000474267	0	33	-2.0	-95.65	319.58	1.69	-93.96
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1C(=O)[O-]	REAL300000474268	0	32	-2.0	-108.83	304.17	0.92	-107.91
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474269	0	29	-2.0	-102.37	301.20	0.94	-101.43
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC=C1Cl	REAL300000474270	0	29	-2.0	-103.82	300.64	0.78	-103.04
O=C([O-])C1=C(Cl)C=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474271	0	29	-2.0	-98.26	313.70	1.32	-96.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1C	REAL300000474272	0	35	-2.0	-109.11	320.80	1.65	-107.46
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474273	0	29	-2.0	-103.68	293.61	0.45	-103.23
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1	REAL300000474274	0	35	-2.0	-94.48	331.69	1.97	-92.51
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474275	0	26	-2.0	-102.31	281.31	-0.59	-102.90
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=NN1	REAL300000474276	0	32	-2.0	-107.06	303.57	1.16	-105.90
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1	REAL300000474277	0	33	-2.0	-94.42	319.20	0.68	-93.74
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NNC=C2)C=C1	REAL300000474277	1	32	-3.0	-205.32	317.49	-0.18	-205.50
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3=CC=NN3)C=C2)C1	REAL300000474278	0	40	-2.0	-91.20	364.97	1.44	-89.76
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C(Br)S1	REAL300000474279	0	26	-2.0	-98.48	298.31	0.18	-98.30
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1C(=O)[O-]	REAL300000474280	0	30	-2.0	-106.63	294.78	-0.25	-106.88
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=NN1	REAL300000474281	0	33	-2.0	-107.84	312.34	-0.81	-108.65
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NNC=C1	REAL300000474281	1	32	-3.0	-223.35	310.21	-1.70	-225.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474282	0	29	-2.0	-98.63	297.25	0.07	-98.56
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1C(=O)[O-]	REAL300000474283	0	35	-2.0	-108.47	319.19	1.65	-106.82
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=NNC=C2)C=C1C(=O)[O-]	REAL300000474283	1	34	-3.0	-226.75	317.49	0.80	-225.95
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CS1	REAL300000474284	0	26	-2.0	-103.78	279.78	-0.57	-104.35
COC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC(C(=O)[O-])=C1OC	REAL300000474285	0	37	-2.0	-108.15	346.44	0.19	-107.96
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1C(=O)[O-]	REAL300000474286	0	33	-2.0	-113.69	315.42	0.45	-113.24
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474287	0	39	-2.0	-110.73	343.37	2.92	-107.81
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=NN1	REAL300000474288	0	38	-2.0	-108.99	342.03	2.35	-106.64
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=NN1	REAL300000474289	0	35	-2.0	-105.05	318.26	1.90	-103.15
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=NN1	REAL300000474290	0	36	-2.0	-110.45	338.57	0.95	-109.50
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC(C(=O)[O-])=C1	REAL300000474291	0	31	-3.0	-182.56	316.54	0.94	-181.62
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474292	0	36	-2.0	-111.06	332.38	2.26	-108.80
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C(C(=O)[O-])O1	REAL300000474293	0	29	-2.0	-101.20	291.15	-0.47	-101.67
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC2=C1OCCO2	REAL300000474294	0	35	-2.0	-112.70	330.29	0.16	-112.54
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474295	0	33	-2.0	-110.60	317.03	-0.51	-111.11
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)C3=CC=NN3)C=C2C1	REAL300000474296	0	37	-2.0	-95.49	341.76	1.00	-94.49
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NNC=C3)C=C2C1	REAL300000474296	1	36	-3.0	-209.30	340.06	0.15	-209.15
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC(Cl)=C1Cl	REAL300000474297	0	29	-2.0	-97.82	315.81	1.24	-96.58
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474298	0	29	-2.0	-99.52	305.72	0.96	-98.56
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1Cl	REAL300000474299	0	33	-2.0	-93.07	335.23	1.21	-91.86
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC=C1OCC(=O)[O-]	REAL300000474300	0	36	-2.0	-94.86	339.29	1.38	-93.48
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NNC=C2)=CC=C1OCC(=O)[O-]	REAL300000474300	1	35	-3.0	-206.21	337.58	0.53	-205.68
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1F	REAL300000474301	0	39	-2.0	-93.69	367.88	1.64	-92.05
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=NN1	REAL300000474302	0	32	-2.0	-98.44	308.84	1.19	-97.25
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC=C1OCCCC(=O)[O-]	REAL300000474303	0	42	-2.0	-94.70	381.72	2.31	-92.39
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NNC=C2)=CC=C1OCCCC(=O)[O-]	REAL300000474303	1	41	-3.0	-205.31	380.02	1.46	-203.85
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1F	REAL300000474304	0	33	-2.0	-94.18	325.42	0.73	-93.45
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1C(=O)[O-]	REAL300000474305	0	36	-2.0	-114.38	337.27	1.36	-113.02
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C(C(=O)[O-])S1	REAL300000474306	0	29	-2.0	-104.04	296.73	0.28	-103.76
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474307	0	29	-2.0	-96.62	316.35	1.40	-95.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C(Cl)=C1	REAL300000474308	0	29	-2.0	-93.82	301.18	0.93	-92.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C(Br)=C1	REAL300000474309	0	29	-2.0	-93.43	304.52	1.05	-92.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1F	REAL300000474310	0	29	-2.0	-95.99	292.66	0.43	-95.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)S1	REAL300000474311	0	26	-2.0	-97.50	280.40	-0.49	-97.99
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474312	0	29	-2.0	-99.02	294.54	0.45	-98.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1F	REAL300000474313	0	32	-2.0	-105.08	313.89	1.09	-103.99
COC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C(Cl)C=C1C(=O)[O-]	REAL300000474314	0	33	-2.0	-98.67	328.43	0.99	-97.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C(F)=C1	REAL300000474315	0	29	-2.0	-95.49	293.61	0.46	-95.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1Cl	REAL300000474316	0	29	-2.0	-93.84	300.64	0.79	-93.05
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=NN1	REAL300000474317	0	32	-2.0	-100.02	317.57	1.57	-98.45
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1	REAL300000474318	0	37	-2.0	-92.48	351.88	1.80	-90.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1Br	REAL300000474319	0	29	-2.0	-93.38	304.37	0.88	-92.50
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC(F)=C1F	REAL300000474320	0	29	-2.0	-97.68	298.96	0.48	-97.20
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474321	0	31	-2.0	-93.49	316.33	1.06	-92.43
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474322	0	30	-2.0	-105.28	297.84	-1.89	-107.17
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474322	1	29	-3.0	-201.24	294.28	-1.01	-202.25
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1	REAL300000474323	0	32	-2.0	-98.39	310.30	1.17	-97.22
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC(Cl)=C1F	REAL300000474324	0	29	-2.0	-98.93	308.84	0.92	-98.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=NN1	REAL300000474325	0	32	-2.0	-105.37	298.20	1.01	-104.36
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC(C(=O)[O-])=C1F	REAL300000474326	0	32	-2.0	-106.99	312.98	1.04	-105.95
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=NN1	REAL300000474327	0	32	-2.0	-96.17	303.55	1.16	-95.01
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC(C(=O)[O-])=C1C	REAL300000474328	0	35	-2.0	-112.16	324.93	1.55	-110.61
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC=C1[N+](=O)[O-]	REAL300000474329	0	31	-2.0	-107.19	314.71	1.47	-105.72
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474330	0	29	-2.0	-96.03	299.89	0.52	-95.51
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)S1	REAL300000474331	0	26	-2.0	-95.24	300.71	0.05	-95.19
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C(C)=C1C(=O)[O-]	REAL300000474332	0	35	-2.0	-109.79	321.52	1.71	-108.08
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NNC=C2)C(C)=C1C(=O)[O-]	REAL300000474332	1	34	-3.0	-229.57	320.89	0.90	-228.67
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1C(=O)[O-]	REAL300000474333	0	32	-2.0	-104.74	309.61	0.98	-103.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1Cl	REAL300000474334	0	32	-2.0	-104.11	319.89	1.51	-102.60
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474335	0	32	-2.0	-113.76	313.14	1.09	-112.67
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1C(=O)[O-]	REAL300000474336	0	35	-2.0	-109.40	322.37	1.57	-107.83
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1CC(=O)[O-]	REAL300000474337	0	36	-2.0	-108.31	338.59	0.52	-107.79
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NNC=C2)C=C1CC(=O)[O-]	REAL300000474337	1	35	-3.0	-226.03	336.89	-0.33	-226.36
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1=CC=NN1	REAL300000474338	0	32	-2.0	-98.59	314.39	1.49	-97.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1C(F)(F)F	REAL300000474339	0	32	-2.0	-93.02	318.24	1.20	-91.82
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC(C(=O)[O-])=C1Cl	REAL300000474340	0	32	-2.0	-105.57	319.37	1.34	-104.23
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474341	0	29	-2.0	-100.69	309.42	1.00	-99.69
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1C(=O)[O-]	REAL300000474342	0	33	-2.0	-107.88	316.16	0.61	-107.27
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C(C)=C1CC(=O)[O-]	REAL300000474343	0	41	-2.0	-109.82	353.28	3.26	-106.56
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=NNC=C2)C(C)=C1CC(=O)[O-]	REAL300000474343	1	40	-3.0	-226.21	351.42	2.36	-223.85
O=C([O-])C1=C(F)C(Cl)=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474344	0	29	-2.0	-95.08	313.71	0.95	-94.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C(OC(F)(F)F)=C1	REAL300000474345	0	33	-2.0	-95.35	332.83	0.69	-94.66
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1C(=O)[O-]	REAL300000474346	0	32	-2.0	-102.57	321.87	1.45	-101.12
CC(C)(C)C1=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C(C(=O)[O-])S1	REAL300000474347	0	38	-2.0	-104.12	337.85	2.29	-101.83
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1C(=O)[O-]	REAL300000474348	0	33	-2.0	-108.00	328.45	1.00	-107.00
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC=C1C(=O)[O-]	REAL300000474349	0	32	-2.0	-96.31	304.13	0.93	-95.38
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C([N+](=O)[O-])=C1	REAL300000474350	0	34	-2.0	-101.96	328.85	2.44	-99.52
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=NN1	REAL300000474351	0	32	-2.0	-104.86	308.09	1.19	-103.67
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC=C1	REAL300000474352	0	31	-2.0	-116.22	311.86	2.24	-113.98
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC=C1	REAL300000474353	0	29	-2.0	-113.06	291.79	0.42	-112.64
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C1C(=O)[O-]	REAL300000474354	0	32	-2.0	-100.84	313.07	1.06	-99.78
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC2=CC=CC=C21	REAL300000474355	0	35	-2.0	-115.83	329.17	2.51	-113.32
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474356	0	28	-2.0	-105.25	284.36	-1.49	-106.74
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=NN1	REAL300000474357	0	33	-2.0	-100.00	316.33	0.19	-99.81
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C(Cl)O1	REAL300000474358	0	26	-2.0	-95.72	288.28	-0.64	-96.36
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=CC=C1OC(F)(F)F	REAL300000474359	0	33	-2.0	-103.36	331.92	0.93	-102.43
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)=C1	REAL300000474360	0	32	-2.0	-99.80	331.48	-2.58	-102.38
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3=CC=NN3)C=C2)CC1	REAL300000474361	0	36	-2.0	-101.81	334.26	2.28	-99.53
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)C3=CC=NN3)C=C2C1	REAL300000474362	0	36	-2.0	-107.16	333.58	2.27	-104.89
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=NN2)C=C(C(=O)[O-])O1	REAL300000474363	0	32	-2.0	-100.89	310.29	0.31	-100.58
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(O)C=C2Cl)=C1	REAL300000474378	1	26	-2.0	-98.28	285.86	1.73	-96.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C=C2Cl)=C1	REAL300000474383	1	29	-2.0	-94.40	301.80	2.40	-92.00
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(O)C=C2Cl)=C1	REAL300000474392	0	32	-2.0	-104.67	320.54	3.20	-101.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2Cl)S1	REAL300000474410	1	26	-2.0	-93.05	284.93	1.83	-91.22
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(O)C=C2Cl)=C1	REAL300000474420	0	30	-2.0	-101.98	296.96	1.29	-100.69
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2Cl)=C1	REAL300000474428	1	29	-2.0	-92.30	304.43	2.84	-89.46
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2Cl)C([N+](=O)[O-])=C1	REAL300000474445	1	34	-2.0	-95.55	335.95	4.91	-90.64
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2Cl)=C1[N+](=O)[O-]	REAL300000474447	1	31	-2.0	-109.94	316.40	4.57	-105.37
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(O)C=C2Cl)=C1	REAL300000474451	1	28	-2.0	-101.02	288.88	0.83	-100.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2Cl)=C(Cl)O1	REAL300000474453	1	26	-2.0	-91.69	292.77	1.68	-90.01
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=CC3=O)C=C2F)=C1	REAL300000474461	0	35	-2.0	-111.48	345.47	6.40	-105.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=CC3=O)C=C2F)C=C(C(=O)[O-])O1	REAL300000474464	1	38	-2.0	-111.32	355.28	6.51	-104.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=CC3=O)C=C2F)S1	REAL300000474465	1	35	-2.0	-105.09	344.53	6.49	-98.60
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=CC3=O)C=C2F)=C1	REAL300000474466	0	37	-2.0	-113.30	348.49	5.48	-107.82
CSC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000474476	1	32	-2.0	-107.28	327.28	6.66	-100.62
CSC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000474478	1	29	-2.0	-104.27	315.01	5.62	-98.65
CSC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000474483	1	32	-2.0	-100.29	330.93	6.28	-94.01
CSC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000474496	1	29	-2.0	-99.02	314.08	5.73	-93.29
CSC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000474498	1	35	-2.0	-108.82	347.58	7.30	-101.52
CSC1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000474502	0	33	-2.0	-108.25	329.07	5.14	-103.11
CSC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000474508	1	32	-2.0	-98.93	333.58	6.72	-92.21
CSC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000474511	1	35	-2.0	-114.48	346.86	7.29	-107.19
CSC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000474516	1	32	-2.0	-113.66	325.45	6.62	-107.04
CSC1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000474518	0	31	-2.0	-107.14	318.79	4.65	-102.49
CSC1=CC=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000474520	1	29	-2.0	-97.65	321.92	5.57	-92.08
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C(C)S1	REAL300000474524	0	34	-2.0	-111.34	336.49	5.59	-105.75
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C(C)S1	REAL300000474525	0	34	-2.0	-101.43	331.96	5.56	-95.87
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C(C)S1	REAL300000474526	0	34	-2.0	-113.89	331.96	5.56	-108.33
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C(C)S1	REAL300000474527	0	38	-2.0	-117.39	360.10	5.38	-112.01
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C(C)S1	REAL300000474528	0	38	-2.0	-100.23	363.42	6.85	-93.38
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C(C)S1	REAL300000474529	0	37	-2.0	-115.16	347.98	6.09	-109.07
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C(C)S1	REAL300000474530	0	34	-2.0	-107.69	345.03	6.13	-101.56
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C(C)S1	REAL300000474531	0	34	-2.0	-109.68	344.47	5.95	-103.73
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C(C)S1	REAL300000474532	0	40	-2.0	-114.75	364.63	6.91	-107.84
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C(C)S1	REAL300000474533	0	34	-2.0	-109.88	337.44	5.62	-104.26
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C(C)S1	REAL300000474534	0	40	-2.0	-99.22	375.53	7.15	-92.07
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C(C)S1	REAL300000474535	0	31	-2.0	-108.17	325.15	4.58	-103.59
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C(C)S1	REAL300000474536	0	37	-2.0	-112.44	347.37	6.37	-106.07
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C(C)S1	REAL300000474537	0	38	-2.0	-99.07	363.05	5.83	-93.24
COC(=O)C1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C(C)S1	REAL300000474538	0	35	-2.0	-112.41	338.61	4.91	-107.50
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C(C)S1	REAL300000474539	0	38	-2.0	-112.57	356.16	4.38	-108.19
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C(C)S1	REAL300000474540	0	34	-2.0	-104.49	341.07	5.24	-99.25
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C(C)S1	REAL300000474541	0	40	-2.0	-113.82	363.42	6.89	-106.93
COC(=O)C1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C(C)S1	REAL300000474542	0	31	-2.0	-109.63	323.61	4.60	-105.03
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C(C)S1	REAL300000474543	0	38	-2.0	-119.81	359.25	5.63	-114.18
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C(C)S1	REAL300000474544	0	43	-2.0	-114.37	385.83	7.60	-106.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)OC)SC(C)=C1	REAL300000474545	0	40	-2.0	-109.24	358.95	7.19	-102.05
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C(C)S1	REAL300000474546	0	41	-2.0	-119.77	382.39	6.14	-113.63
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C(C)S1	REAL300000474547	0	36	-3.0	-191.45	360.33	6.14	-185.31
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C(C)S1	REAL300000474548	0	41	-2.0	-117.04	376.17	7.48	-109.56
COC(=O)C1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C(C)S1	REAL300000474549	0	34	-2.0	-106.49	334.97	4.71	-101.78
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C(C)S1	REAL300000474550	0	38	-2.0	-115.44	360.95	4.65	-110.79
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C(C)S1	REAL300000474551	0	41	-2.0	-99.64	383.12	6.55	-93.09
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C(C)S1	REAL300000474552	0	37	-2.0	-103.61	352.67	6.39	-97.22
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)OC)SC(C)=C2)C=C1C(=O)[O-]	REAL300000474553	0	41	-2.0	-120.54	381.12	6.54	-114.00
COC(=O)C1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C(C)S1	REAL300000474554	0	34	-2.0	-109.22	340.59	5.47	-103.75
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C(C)S1	REAL300000474555	0	34	-2.0	-98.80	345.01	6.11	-92.69
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C(C)S1	REAL300000474556	0	34	-2.0	-100.94	336.48	5.60	-95.34
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C(C)S1	REAL300000474557	0	31	-2.0	-103.21	324.22	4.69	-98.52
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C(C)S1	REAL300000474558	0	34	-2.0	-104.82	338.38	5.62	-99.20
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C(C)S1	REAL300000474559	0	37	-2.0	-111.49	357.71	6.24	-105.25
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C(C)S1	REAL300000474560	0	34	-2.0	-101.24	337.42	5.62	-95.62
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C(C)S1	REAL300000474561	0	34	-2.0	-98.96	344.45	5.96	-93.00
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C(C)S1	REAL300000474562	0	34	-2.0	-102.89	342.75	5.67	-97.22
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C(C)S1	REAL300000474563	0	35	-2.0	-110.48	341.68	3.30	-107.18
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C(C)S1	REAL300000474564	0	37	-2.0	-103.66	354.14	6.35	-97.31
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C(C)S1	REAL300000474565	0	37	-2.0	-111.71	342.00	6.20	-105.51
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C(C)S1	REAL300000474566	0	37	-2.0	-112.72	356.76	6.23	-106.49
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C(C)S1	REAL300000474567	0	37	-2.0	-101.08	347.38	6.33	-94.75
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C(C)S1	REAL300000474568	0	40	-2.0	-117.13	365.43	6.63	-110.50
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C(C)S1	REAL300000474569	0	34	-2.0	-102.04	343.70	5.68	-96.36
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C(C)S1	REAL300000474570	0	40	-2.0	-116.08	366.41	6.97	-109.11
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C(C)S1	REAL300000474571	0	37	-2.0	-110.95	353.41	6.18	-104.77
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C(C)S1	REAL300000474572	0	37	-2.0	-120.96	357.00	6.24	-114.72
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)OC)SC(C)=C2)C=C1C(=O)[O-]	REAL300000474573	0	40	-2.0	-115.88	366.29	6.74	-109.14
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=C(C)S1	REAL300000474574	0	41	-2.0	-114.05	382.44	5.68	-108.37
CCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)OC)SC(C)=C2)C=C1C(=O)[O-]	REAL300000474575	0	38	-2.0	-113.77	359.92	5.77	-108.00
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C(C)S1	REAL300000474576	0	37	-2.0	-101.63	347.97	6.10	-95.53
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C(C)S1	REAL300000474577	0	37	-2.0	-109.77	351.91	6.38	-103.39
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C(C)S1	REAL300000474578	0	34	-2.0	-120.12	335.60	5.58	-114.54
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C(C)S1	REAL300000474579	0	37	-2.0	-105.68	353.09	6.15	-99.53
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C(C)S1	REAL300000474580	0	33	-2.0	-108.93	328.95	3.62	-105.31
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C(C)S1	REAL300000474581	0	38	-2.0	-105.37	360.16	5.37	-100.00
COC(=O)C1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C(C)S1	REAL300000474582	0	31	-2.0	-101.04	332.07	4.54	-96.50
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C(C)S1	REAL300000474583	0	41	-2.0	-106.90	378.09	7.44	-99.46
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C(C)S1	REAL300000474584	0	41	-2.0	-112.77	376.02	7.45	-105.32
CCC1=C(S(=O)(=O)[N-]C2=C(C(=O)OC)SC(C)=C2)C=C(C(=O)[O-])O1	REAL300000474585	0	37	-2.0	-105.38	352.49	5.52	-99.86
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)N=N1	REAL300000474586	0	37	-3.0	-194.91	361.19	-2.01	-196.92
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)N=N1	REAL300000474587	0	30	-3.0	-216.56	309.27	-0.57	-217.13
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CN(C)N=N1	REAL300000474588	0	38	-3.0	-216.91	364.36	0.50	-216.41
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)N=N1	REAL300000474589	0	30	-3.0	-203.49	304.72	-0.59	-204.08
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)N=N1	REAL300000474590	0	30	-3.0	-222.01	304.73	-0.60	-222.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CN(C)N=N1	REAL300000474591	0	34	-3.0	-227.56	332.88	-0.79	-228.35
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)N=N1	REAL300000474592	0	34	-3.0	-201.79	336.19	0.69	-201.10
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C=C1C(=O)[O-]	REAL300000474593	0	33	-3.0	-224.56	320.77	-0.07	-224.63
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)N=N1	REAL300000474594	0	30	-3.0	-214.36	317.81	-0.05	-214.41
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)N=N1	REAL300000474595	0	30	-3.0	-216.32	317.24	-0.21	-216.53
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)N=N1	REAL300000474596	0	30	-3.0	-208.48	330.31	0.32	-208.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)=C1C	REAL300000474597	0	36	-3.0	-222.63	337.40	0.66	-221.97
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)N=N1	REAL300000474598	0	30	-3.0	-218.25	310.21	-0.54	-218.79
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)N=N1	REAL300000474599	0	36	-3.0	-201.93	348.30	0.99	-200.94
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)N=N1	REAL300000474600	0	27	-3.0	-212.64	297.92	-1.58	-214.22
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CN(C)N=N1	REAL300000474601	0	33	-3.0	-219.88	320.17	0.16	-219.72
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)N=N1	REAL300000474602	0	34	-3.0	-200.59	335.80	-0.32	-200.91
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)N=N1	REAL300000474603	0	31	-3.0	-219.21	311.37	-1.25	-220.46
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CN(C)N=N1	REAL300000474604	0	34	-3.0	-219.80	328.94	-1.81	-221.61
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)=C1	REAL300000474605	0	30	-3.0	-207.67	313.85	-0.92	-208.59
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C=C1C(=O)[O-]	REAL300000474606	0	36	-3.0	-222.61	335.80	0.66	-221.95
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)N=N1	REAL300000474607	0	27	-3.0	-214.83	296.39	-1.57	-216.40
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)=CC(C(=O)[O-])=C1OC	REAL300000474608	0	38	-3.0	-221.51	362.99	-0.79	-222.30
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C=C1C(=O)[O-]	REAL300000474609	0	34	-3.0	-227.97	332.02	-0.53	-228.50
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)N=N1	REAL300000474610	0	40	-3.0	-227.39	359.97	1.93	-225.46
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CN(C)N=N1	REAL300000474611	0	39	-3.0	-224.27	358.63	1.36	-222.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CN(C)N=N1	REAL300000474612	0	36	-3.0	-216.13	334.87	0.90	-215.23
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CN(C)N=N1	REAL300000474613	0	37	-3.0	-232.64	355.16	-0.03	-232.67
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)N=N1	REAL300000474614	0	32	-4.0	-313.10	333.15	-0.05	-313.15
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)N=N1	REAL300000474615	0	37	-3.0	-227.42	348.99	1.27	-226.15
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C=C(C(=O)[O-])O1	REAL300000474616	0	30	-3.0	-208.85	307.74	-1.46	-210.31
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)N=N1	REAL300000474617	0	36	-3.0	-227.59	346.91	-0.83	-228.42
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)=C1	REAL300000474618	0	34	-3.0	-226.76	333.64	-1.50	-228.26
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)N=N1	REAL300000474619	0	38	-3.0	-203.87	357.65	0.00	-203.87
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)N=N1	REAL300000474620	0	30	-3.0	-208.70	332.42	0.25	-208.45
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)N=N1	REAL300000474621	0	30	-3.0	-208.17	322.33	-0.03	-208.20
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)N=N1	REAL300000474622	0	34	-3.0	-197.76	351.83	0.22	-197.54
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)=CC=C1OCC(=O)[O-]	REAL300000474623	0	37	-3.0	-201.54	355.89	0.39	-201.15
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CN(C)N=N1	REAL300000474624	0	33	-3.0	-208.10	325.44	0.19	-207.91
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)=CC=C1OCCCC(=O)[O-]	REAL300000474625	0	43	-3.0	-200.69	398.34	1.32	-199.37
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)N=N1	REAL300000474626	0	34	-3.0	-198.02	342.03	-0.25	-198.27
CCOC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C=C1C(=O)[O-]	REAL300000474627	0	37	-3.0	-228.94	353.87	0.37	-228.57
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C=C(C(=O)[O-])S1	REAL300000474628	0	30	-3.0	-214.15	313.34	-0.71	-214.86
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)N=N1	REAL300000474629	0	30	-3.0	-206.79	332.96	0.39	-206.40
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)N=N1	REAL300000474630	0	30	-3.0	-200.10	317.78	-0.06	-200.16
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)N=N1	REAL300000474631	0	30	-3.0	-201.20	309.26	-0.56	-201.76
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)N=N1	REAL300000474632	0	27	-3.0	-205.39	297.00	-1.47	-206.86
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)N=N1	REAL300000474633	0	30	-3.0	-210.33	311.14	-0.53	-210.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)=C1F	REAL300000474634	0	33	-3.0	-220.60	330.50	0.10	-220.50
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)=C(Cl)C=C1C(=O)[O-]	REAL300000474635	0	34	-3.0	-204.53	345.04	0.00	-204.53
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)N=N1	REAL300000474636	0	30	-3.0	-204.20	310.22	-0.53	-204.73
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)N=N1	REAL300000474637	0	30	-3.0	-200.35	317.23	-0.20	-200.55
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CN(C)N=N1	REAL300000474638	0	33	-3.0	-210.45	334.18	0.57	-209.88
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)N=N1	REAL300000474639	0	38	-3.0	-197.38	368.47	0.81	-196.57
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)N=N1	REAL300000474640	0	30	-3.0	-205.58	315.57	-0.51	-206.09
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)N=N1	REAL300000474641	0	32	-3.0	-202.95	332.93	0.07	-202.88
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)N=N1	REAL300000474642	0	31	-3.0	-217.22	314.45	-2.87	-220.09
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)N=N1	REAL300000474643	0	33	-3.0	-208.54	326.90	0.18	-208.36
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)N=N1	REAL300000474644	0	30	-3.0	-208.08	325.45	-0.07	-208.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=CN(C)N=N1	REAL300000474645	0	33	-3.0	-219.48	314.80	0.03	-219.45
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)=CC(C(=O)[O-])=C1F	REAL300000474646	0	33	-3.0	-218.73	329.58	0.05	-218.68
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=CN(C)N=N1	REAL300000474647	0	33	-3.0	-202.67	320.15	0.15	-202.52
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)=CC(C(=O)[O-])=C1C	REAL300000474648	0	36	-3.0	-229.05	341.53	0.57	-228.48
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)N=N1	REAL300000474649	0	32	-3.0	-213.80	331.29	0.50	-213.30
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)N=N1	REAL300000474650	0	30	-3.0	-208.03	316.49	-0.48	-208.51
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C(C)=C1C(=O)[O-]	REAL300000474651	0	36	-3.0	-224.22	339.21	0.77	-223.45
CC1=CC(F)=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C=C1C(=O)[O-]	REAL300000474652	0	33	-3.0	-220.62	326.21	0.00	-220.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)=C1Cl	REAL300000474653	0	33	-3.0	-217.02	336.50	0.51	-216.51
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)=C1	REAL300000474654	0	33	-3.0	-230.81	329.75	0.09	-230.72
CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C=C1C(=O)[O-]	REAL300000474655	0	36	-3.0	-225.90	338.67	0.58	-225.32
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C=C1CC(=O)[O-]	REAL300000474656	0	37	-3.0	-221.79	355.20	-0.47	-222.26
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-][N-]C(=O)C1=CN(C)N=N1	REAL300000474657	0	33	-3.0	-210.46	331.00	0.49	-209.97
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)N=N1	REAL300000474658	0	33	-3.0	-198.64	334.85	0.20	-198.44
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)=CC(C(=O)[O-])=C1Cl	REAL300000474659	0	33	-3.0	-219.03	335.97	0.36	-218.67
CCN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C=C1C(=O)[O-]	REAL300000474660	0	34	-3.0	-221.12	332.76	-0.38	-221.50
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C(C)=C1CC(=O)[O-]	REAL300000474661	0	42	-3.0	-221.75	369.73	2.22	-219.53
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)N=N1	REAL300000474662	0	30	-3.0	-204.52	330.32	-0.05	-204.57
CC1=C(Cl)C=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C=C1C(=O)[O-]	REAL300000474663	0	33	-3.0	-216.21	338.48	0.47	-215.74
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)N=N1	REAL300000474664	0	39	-3.0	-213.82	354.45	1.30	-212.52
COC1=CC(Cl)=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C=C1C(=O)[O-]	REAL300000474665	0	34	-3.0	-219.76	345.05	0.01	-219.75
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)=CC=C1C(=O)[O-]	REAL300000474666	0	33	-3.0	-204.40	320.74	-0.06	-204.46
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])N=N1	REAL300000474667	0	35	-3.0	-216.09	345.45	1.45	-214.64
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CN(C)N=N1	REAL300000474668	0	33	-3.0	-214.27	324.69	0.19	-214.08
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])N=N1	REAL300000474669	0	32	-3.0	-232.21	328.49	1.25	-230.96
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)N=N1	REAL300000474670	0	30	-3.0	-229.22	308.35	-0.58	-229.80
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C=C1C(=O)[O-]	REAL300000474671	0	33	-3.0	-213.49	329.67	0.08	-213.41
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)N=N1	REAL300000474672	0	36	-3.0	-233.51	345.78	1.52	-231.99
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)N=N1	REAL300000474673	0	29	-3.0	-219.61	300.95	-2.48	-222.09
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=CN(C)N=N1	REAL300000474674	0	34	-3.0	-209.92	332.94	-0.79	-210.71
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)N=N1	REAL300000474675	0	27	-3.0	-201.99	304.87	-1.64	-203.63
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)N=N1	REAL300000474676	0	37	-3.0	-211.41	350.86	1.29	-210.12
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)N=N1	REAL300000474677	0	37	-3.0	-222.76	350.17	1.29	-221.47
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)N=N2)C=C(C(=O)[O-])O1	REAL300000474678	0	33	-3.0	-208.60	326.89	-0.67	-209.27
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300000474679	0	41	-2.0	-110.54	366.78	1.15	-109.39
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)O1	REAL300000474680	0	41	-2.0	-101.02	362.23	1.13	-99.89
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)O1	REAL300000474681	0	41	-2.0	-112.63	362.25	1.12	-111.51
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CN(C)CC(C)O1	REAL300000474682	0	45	-2.0	-116.07	390.38	0.93	-115.14
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)O1	REAL300000474683	0	45	-2.0	-100.13	393.72	2.42	-97.71
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)C=C1C(=O)[O-]	REAL300000474684	0	44	-2.0	-115.25	382.31	1.77	-113.48
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)O1	REAL300000474685	0	41	-2.0	-106.92	375.31	1.68	-105.24
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300000474686	0	41	-2.0	-108.84	374.75	1.51	-107.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)=C1C	REAL300000474687	0	47	-2.0	-113.43	394.64	2.42	-111.01
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)O1	REAL300000474688	0	41	-2.0	-108.28	367.72	1.18	-107.10
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)O1	REAL300000474689	0	47	-2.0	-99.77	405.82	2.71	-97.06
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)O1	REAL300000474690	0	38	-2.0	-107.18	355.42	0.14	-107.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CN(C)CC(C)O1	REAL300000474691	0	44	-2.0	-111.81	377.26	1.85	-109.96
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300000474692	0	45	-2.0	-98.92	393.32	1.41	-97.51
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)O1	REAL300000474693	0	42	-2.0	-111.50	368.89	0.48	-111.02
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CN(C)CC(C)O1	REAL300000474694	0	45	-2.0	-112.11	386.03	-0.11	-112.22
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)=C1	REAL300000474695	0	41	-2.0	-103.53	371.37	0.81	-102.72
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)C=C1C(=O)[O-]	REAL300000474696	0	47	-2.0	-112.69	393.72	2.43	-110.26
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)O1	REAL300000474697	0	38	-2.0	-108.61	353.87	0.16	-108.45
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)C=C1C(=O)[O-]	REAL300000474698	0	45	-2.0	-118.81	389.52	1.19	-117.62
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CN(C)CC(C)O1	REAL300000474699	0	50	-2.0	-113.43	416.14	3.09	-110.34
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CN(C)CC(C)O1	REAL300000474700	0	47	-2.0	-109.34	392.38	2.64	-106.70
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)O1	REAL300000474701	0	48	-2.0	-115.61	406.49	3.00	-112.61
CC1=C(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)C=C(C(=O)[O-])O1	REAL300000474702	0	41	-2.0	-105.76	365.28	0.26	-105.50
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)=C1	REAL300000474703	0	45	-2.0	-116.26	391.14	0.22	-116.04
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CN(C)CC(C)O1	REAL300000474704	0	44	-2.0	-102.93	382.95	1.92	-101.01
CC1=C(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)C=C(C(=O)[O-])S1	REAL300000474705	0	41	-2.0	-108.49	370.84	1.02	-107.47
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)O1	REAL300000474706	0	41	-2.0	-98.74	375.29	1.67	-97.07
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300000474707	0	41	-2.0	-100.76	366.78	1.16	-99.60
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)O1	REAL300000474708	0	38	-2.0	-102.36	354.50	0.25	-102.11
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)O1	REAL300000474709	0	41	-2.0	-103.84	368.65	1.19	-102.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)=C1F	REAL300000474710	0	44	-2.0	-109.74	388.02	1.82	-107.92
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)O1	REAL300000474711	0	41	-2.0	-100.46	367.71	1.19	-99.27
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300000474712	0	41	-2.0	-98.66	374.74	1.52	-97.14
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)O1	REAL300000474713	0	41	-2.0	-102.48	373.07	1.21	-101.27
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)O1	REAL300000474714	0	42	-2.0	-109.52	371.96	-1.15	-110.67
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])O1	REAL300000474714	1	41	-3.0	-207.82	368.39	-0.28	-208.10
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)O1	REAL300000474715	0	44	-2.0	-106.41	384.42	1.91	-104.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1CN(C)CC(C)O1	REAL300000474716	0	44	-2.0	-110.71	371.78	1.72	-108.99
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)=CC(C(=O)[O-])=C1F	REAL300000474717	0	44	-2.0	-111.95	387.08	1.77	-110.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CN(C)CC(C)O1	REAL300000474718	0	44	-2.0	-101.03	377.25	1.84	-99.19
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)=CC(C(=O)[O-])=C1C	REAL300000474719	0	47	-2.0	-116.94	399.74	2.32	-114.62
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)O1	REAL300000474720	0	41	-2.0	-100.75	373.99	1.25	-99.50
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)C(C)=C1C(=O)[O-]	REAL300000474721	0	47	-2.0	-115.16	395.63	2.45	-112.71
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)C=C1C(=O)[O-]	REAL300000474722	0	44	-2.0	-109.30	383.72	1.72	-107.58
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)=C1	REAL300000474723	0	44	-2.0	-119.36	387.27	1.81	-117.55
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)C=C1C(=O)[O-]	REAL300000474724	0	47	-2.0	-114.46	396.48	2.31	-112.15
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)C=C1C(=O)[O-]	REAL300000474725	0	45	-2.0	-112.82	390.25	1.33	-111.49
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)=CC=C1C(=O)[O-]	REAL300000474726	0	44	-2.0	-101.12	378.25	1.67	-99.45
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CN(C)CC(C)O1	REAL300000474727	0	44	-2.0	-109.29	382.19	1.92	-107.37
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)O1	REAL300000474728	0	41	-2.0	-118.62	365.90	1.16	-117.46
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)C=C1C(=O)[O-]	REAL300000474729	0	44	-2.0	-104.59	383.42	1.69	-102.90
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)O1	REAL300000474730	0	40	-2.0	-110.20	358.46	-0.76	-110.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CN(C)CC(C)O1	REAL300000474731	0	45	-2.0	-104.85	390.44	0.93	-103.92
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)O1	REAL300000474732	0	38	-2.0	-100.42	362.37	0.11	-100.31
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)O1	REAL300000474733	0	48	-2.0	-106.30	408.37	3.01	-103.29
CC1CN(C)CC(C(=O)N[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)O1	REAL300000474734	0	48	-2.0	-107.72	407.70	3.01	-104.71
CCC1=C(S(=O)(=O)[N-]NC(=O)C2CN(C)CC(C)O2)C=C(C(=O)[O-])O1	REAL300000474735	0	44	-2.0	-105.27	384.38	1.05	-104.22
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000474736	0	42	-2.0	-108.02	379.95	0.86	-107.16
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000474737	0	35	-2.0	-126.39	327.42	2.33	-124.06
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)N(C)C	REAL300000474738	0	43	-2.0	-123.91	384.96	3.45	-120.46
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000474739	0	35	-2.0	-115.32	323.47	2.28	-113.04
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000474740	0	35	-2.0	-130.73	320.01	2.30	-128.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)N(C)C	REAL300000474741	0	39	-2.0	-133.61	351.63	2.09	-131.52
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000474742	0	39	-2.0	-115.83	351.47	3.60	-112.23
CC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000474743	0	38	-2.0	-132.33	336.59	2.82	-129.51
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000474744	0	35	-2.0	-123.21	336.58	2.84	-120.37
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000474745	0	35	-2.0	-122.70	335.43	2.68	-120.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)=C1C	REAL300000474746	0	41	-2.0	-129.48	358.02	3.71	-125.77
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000474747	0	35	-2.0	-125.61	329.34	2.33	-123.28
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000474748	0	41	-2.0	-112.83	367.06	3.87	-108.96
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000474749	0	32	-2.0	-121.13	318.54	1.38	-119.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)N(C)C	REAL300000474750	0	38	-2.0	-128.64	338.93	3.06	-125.58
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000474751	0	39	-2.0	-114.62	351.08	2.59	-112.03
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000474752	0	36	-2.0	-127.63	329.57	1.63	-126.00
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)N(C)C	REAL300000474753	0	39	-2.0	-129.11	346.94	1.13	-127.98
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)=C1	REAL300000474754	0	35	-2.0	-117.64	332.61	1.97	-115.67
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000474755	0	41	-2.0	-128.68	356.90	3.68	-125.00
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000474756	0	32	-2.0	-124.97	315.14	1.30	-123.67
COC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)=CC(C(=O)[O-])=C1OC	REAL300000474757	0	43	-2.0	-127.27	381.21	2.11	-125.16
COC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000474758	0	39	-2.0	-135.34	350.20	2.35	-132.99
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000474759	0	45	-2.0	-133.45	379.11	4.90	-128.55
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)N(C)C	REAL300000474760	0	44	-2.0	-131.04	377.39	4.28	-126.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)N(C)C	REAL300000474761	0	41	-2.0	-125.69	353.28	4.01	-121.68
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)N(C)C	REAL300000474762	0	42	-2.0	-134.01	375.77	2.92	-131.09
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000474763	0	37	-3.0	-206.16	351.89	2.85	-203.31
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000474764	0	42	-2.0	-134.66	364.28	4.19	-130.47
CC1=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000474765	0	35	-2.0	-121.44	326.49	1.43	-120.01
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000474766	0	41	-2.0	-131.84	364.78	2.06	-129.78
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)=C1	REAL300000474767	0	39	-2.0	-129.41	352.42	1.38	-128.03
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000474768	0	43	-2.0	-114.77	377.13	2.90	-111.87
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000474769	0	35	-2.0	-119.86	341.47	2.84	-117.02
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)=CC=C1OCC(=O)[O-]	REAL300000474770	0	42	-2.0	-113.18	374.07	3.28	-109.90
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)N(C)C	REAL300000474771	0	38	-2.0	-118.56	343.86	3.11	-115.45
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000474772	0	39	-2.0	-111.77	360.78	2.62	-109.15
CCOC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000474773	0	42	-2.0	-135.94	372.02	3.28	-132.66
CC1=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C=C(C(=O)[O-])S1	REAL300000474774	0	35	-2.0	-124.34	332.84	2.18	-122.16
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000474775	0	35	-2.0	-110.12	338.40	2.91	-107.21
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000474776	0	35	-2.0	-114.82	328.01	2.32	-112.50
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000474777	0	32	-2.0	-114.24	317.61	1.48	-112.76
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000474778	0	35	-2.0	-117.65	329.90	2.35	-115.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)=C1F	REAL300000474779	0	38	-2.0	-125.07	351.11	3.06	-122.01
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000474780	0	35	-2.0	-114.33	328.95	2.35	-111.98
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000474781	0	35	-2.0	-112.60	335.42	2.69	-109.91
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)N(C)C	REAL300000474782	0	38	-2.0	-120.97	353.32	3.47	-117.50
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000474783	0	43	-2.0	-109.96	386.63	3.72	-106.24
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000474784	0	35	-2.0	-117.69	334.69	2.36	-115.33
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000474785	0	37	-2.0	-113.35	351.68	2.95	-110.40
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000474786	0	36	-2.0	-127.70	329.72	0.03	-127.67
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000474787	0	38	-2.0	-115.94	347.52	3.14	-112.80
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000474788	0	35	-2.0	-118.60	343.85	2.82	-115.78
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)N(C)C	REAL300000474789	0	38	-2.0	-123.39	333.96	2.93	-120.46
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)=CC(C(=O)[O-])=C1F	REAL300000474790	0	38	-2.0	-129.30	344.84	2.95	-126.35
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)N(C)C	REAL300000474791	0	38	-2.0	-114.88	338.91	3.05	-111.83
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)=CC(C(=O)[O-])=C1C	REAL300000474792	0	41	-2.0	-135.32	356.88	3.47	-131.85
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000474793	0	37	-2.0	-127.79	347.57	3.38	-124.41
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000474794	0	35	-2.0	-117.00	335.63	2.40	-114.60
CC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C(C)=C1C(=O)[O-]	REAL300000474795	0	41	-2.0	-128.18	358.04	3.67	-124.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000474796	0	38	-2.0	-125.74	351.81	3.10	-122.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)=C1Cl	REAL300000474797	0	38	-2.0	-123.48	357.12	3.49	-119.99
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)=C1	REAL300000474798	0	38	-2.0	-130.25	350.39	3.04	-127.21
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000474799	0	41	-2.0	-132.97	354.10	3.48	-129.49
COC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C=C1CC(=O)[O-]	REAL300000474800	0	42	-2.0	-128.29	373.95	2.41	-125.88
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)N(C)C	REAL300000474801	0	38	-2.0	-117.40	349.76	3.48	-113.92
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)=CC(C(=O)[O-])=C1Cl	REAL300000474802	0	38	-2.0	-126.48	354.36	3.25	-123.23
CCN1C=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000474803	0	39	-2.0	-127.06	350.95	2.51	-124.55
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C(C)=C1CC(=O)[O-]	REAL300000474804	0	47	-2.0	-130.58	385.90	5.17	-125.41
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000474805	0	38	-2.0	-124.16	349.94	3.26	-120.90
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)=CC=C1C(=O)[O-]	REAL300000474806	0	38	-2.0	-117.12	337.36	2.82	-114.30
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000474807	0	40	-2.0	-120.54	366.87	4.49	-116.05
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)N(C)C	REAL300000474808	0	38	-2.0	-124.53	344.89	3.20	-121.33
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000474809	0	37	-2.0	-134.78	347.60	4.13	-130.65
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000474810	0	35	-2.0	-132.02	327.16	2.32	-129.70
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C=C1C(=O)[O-]	REAL300000474811	0	38	-2.0	-120.56	345.20	2.86	-117.70
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000474812	0	41	-2.0	-138.98	362.44	4.40	-134.58
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000474813	0	34	-2.0	-125.03	321.58	0.46	-124.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)N(C)C	REAL300000474814	0	39	-2.0	-119.35	351.69	2.09	-117.26
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000474815	0	32	-2.0	-114.91	323.25	1.27	-113.64
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000474816	0	42	-2.0	-120.58	368.49	4.18	-116.40
CN(C)C(=O)C1=CNN=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000474817	0	42	-2.0	-125.79	370.79	4.24	-121.55
CCC1=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300000474818	0	38	-2.0	-120.68	345.26	2.29	-118.39
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1	REAL300000474819	1	43	-2.0	-96.11	387.78	-1.77	-97.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=CC=C1F	REAL300000474820	1	36	-2.0	-113.94	335.85	-0.32	-114.26
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(CO)=CC(CO)=C1	REAL300000474821	0	44	-2.0	-113.84	390.93	0.73	-113.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1	REAL300000474822	1	36	-2.0	-102.84	331.30	-0.35	-103.19
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1	REAL300000474823	1	36	-2.0	-115.04	331.31	-0.37	-115.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(CO)=CC(CO)=C1	REAL300000474824	0	40	-2.0	-120.82	359.45	-0.57	-121.39
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1	REAL300000474825	1	40	-2.0	-102.35	362.77	0.94	-101.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1C(=O)[O-]	REAL300000474826	1	39	-2.0	-118.20	347.32	0.17	-118.03
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1	REAL300000474827	0	36	-2.0	-110.75	344.37	0.22	-110.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=CC=C1Cl	REAL300000474828	1	36	-2.0	-112.42	343.82	0.04	-112.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1C	REAL300000474829	1	42	-2.0	-117.99	363.98	0.99	-117.00
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1	REAL300000474830	0	36	-2.0	-112.74	336.78	-0.29	-113.03
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1	REAL300000474831	1	42	-2.0	-101.95	374.89	1.23	-100.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1	REAL300000474832	0	33	-2.0	-109.37	324.49	-1.34	-110.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(CO)=CC(CO)=C1	REAL300000474833	1	39	-2.0	-115.73	346.74	0.43	-115.30
CN1C=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1C(=O)[O-]	REAL300000474835	0	37	-2.0	-113.54	337.95	-1.00	-114.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1	REAL300000474837	0	36	-2.0	-106.27	340.42	-0.68	-106.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=CS1	REAL300000474839	0	33	-2.0	-110.64	322.96	-1.31	-111.95
COC1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=CC(C(=O)[O-])=C1OC	REAL300000474840	1	44	-2.0	-115.16	389.64	-0.54	-115.70
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1	REAL300000474842	1	46	-2.0	-120.32	386.54	2.27	-118.05
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(CO)=CC(CO)=C1	REAL300000474843	1	45	-2.0	-118.22	385.20	1.64	-116.58
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(CO)=CC(CO)=C1	REAL300000474844	1	42	-2.0	-114.38	361.43	1.37	-113.01
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(CO)=CC(CO)=C1	REAL300000474845	0	43	-2.0	-121.00	381.74	0.20	-120.80
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(CO)=CC(CO)=C2)=CC(C(=O)[O-])=C1	REAL300000474846	0	39	-2.0	-110.43	366.43	0.07	-110.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=CC(C(=O)[O-])=C1	REAL300000474846	1	38	-3.0	-191.77	359.71	0.21	-191.56
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1	REAL300000474847	1	43	-2.0	-120.68	375.55	1.54	-119.14
CC1=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C(C(=O)[O-])O1	REAL300000474848	0	36	-2.0	-108.70	334.31	-1.22	-109.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=CC2=C1OCCO2	REAL300000474849	1	42	-2.0	-119.92	373.48	-0.58	-120.50
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1	REAL300000474850	0	40	-2.0	-116.47	360.29	-1.27	-117.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C(Cl)C=C1F	REAL300000474852	0	36	-2.0	-107.02	348.89	0.24	-106.78
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(CO)=CC(CO)=C1	REAL300000474854	1	39	-2.0	-106.25	352.02	0.46	-105.79
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1F	REAL300000474855	1	40	-2.0	-100.53	368.61	-0.02	-100.55
CC1=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C(C(=O)[O-])S1	REAL300000474857	0	36	-2.0	-112.01	341.00	-0.47	-112.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C(Cl)=C1	REAL300000474858	0	36	-2.0	-100.43	344.36	0.21	-100.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1F	REAL300000474859	1	36	-2.0	-101.93	335.83	-0.31	-102.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)S1	REAL300000474860	0	33	-2.0	-104.92	323.57	-1.22	-106.14
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1	REAL300000474861	1	36	-2.0	-105.77	337.73	-0.30	-106.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1F	REAL300000474862	0	39	-2.0	-114.19	357.08	0.34	-113.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C(F)=C1	REAL300000474863	0	36	-2.0	-102.66	336.76	-0.28	-102.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1Cl	REAL300000474864	1	36	-2.0	-100.27	343.80	0.05	-100.22
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(CO)=CC(CO)=C1	REAL300000474865	1	39	-2.0	-107.90	360.75	0.84	-107.06
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1	REAL300000474866	1	44	-2.0	-99.18	395.05	1.06	-98.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=CC(F)=C1F	REAL300000474867	1	36	-2.0	-105.03	342.14	-0.26	-105.29
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1	REAL300000474868	0	38	-2.0	-99.93	359.51	0.31	-99.62
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1	REAL300000474869	0	37	-2.0	-114.83	341.02	-2.65	-117.48
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(CO)=CC(CO)=C2)=C1	REAL300000474869	1	37	-2.0	-111.34	340.21	-1.86	-113.20
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1	REAL300000474870	1	39	-2.0	-107.59	353.49	0.42	-107.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=CC(Cl)=C1F	REAL300000474871	1	36	-2.0	-106.58	352.03	0.18	-106.40
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(CO)=CC(CO)=C1	REAL300000474872	1	39	-2.0	-112.61	341.35	0.28	-112.33
CC1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=CC(C(=O)[O-])=C1F	REAL300000474873	1	39	-2.0	-113.58	356.15	0.30	-113.28
CC1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=CC(C(=O)[O-])=C1C	REAL300000474875	1	42	-2.0	-119.56	368.81	0.85	-118.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=CC=C1[N+](=O)[O-]	REAL300000474876	0	38	-2.0	-114.43	357.88	0.73	-113.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1	REAL300000474877	0	36	-2.0	-104.10	343.06	-0.23	-104.33
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1C(=O)[O-]	REAL300000474879	0	39	-2.0	-115.14	356.62	0.33	-114.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1Cl	REAL300000474880	0	39	-2.0	-112.44	363.05	0.78	-111.66
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1	REAL300000474881	0	39	-2.0	-120.43	356.34	0.34	-120.09
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1C(=O)[O-]	REAL300000474882	1	42	-2.0	-118.93	365.27	0.83	-118.10
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(CO)=CC(CO)=C1	REAL300000474884	1	39	-2.0	-105.57	357.57	0.82	-104.75
CC1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000474885	1	39	-2.0	-112.52	362.54	0.59	-111.93
CCN1C=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1C(=O)[O-]	REAL300000474886	0	40	-2.0	-114.84	359.33	-0.13	-114.97
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1C(=O)[O-]	REAL300000474888	1	39	-2.0	-109.87	361.19	0.61	-109.26
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C(C(=O)[O-])S1	REAL300000474889	0	45	-2.0	-111.34	380.74	1.78	-109.56
CC1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=CC=C1C(=O)[O-]	REAL300000474890	1	39	-2.0	-102.99	347.31	0.19	-102.80
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C([N+](=O)[O-])=C1	REAL300000474891	0	41	-2.0	-108.14	374.57	1.84	-106.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1[N+](=O)[O-]	REAL300000474893	0	38	-2.0	-124.47	355.04	1.49	-122.98
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1F	REAL300000474894	0	36	-2.0	-121.11	334.97	-0.32	-121.43
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C1C(=O)[O-]	REAL300000474895	1	39	-2.0	-108.09	352.49	0.21	-107.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=CC2=CC=CC=C21	REAL300000474896	1	42	-2.0	-125.44	372.35	1.77	-123.67
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C1	REAL300000474897	0	35	-2.0	-113.10	327.52	-2.22	-115.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(CO)=CC(CO)=C1	REAL300000474898	0	40	-2.0	-107.35	359.51	-0.56	-107.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)=C(Cl)O1	REAL300000474899	0	33	-2.0	-102.66	331.46	-1.38	-104.04
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(CO)=CC(CO)=C3)C=C2)CC1	REAL300000474900	1	43	-2.0	-109.27	377.43	1.52	-107.75
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(CO)=CC(CO)=C3)C=C2C1	REAL300000474901	1	43	-2.0	-113.22	376.75	1.52	-111.70
CCC1=C(S(=O)(=O)[N-]C2=CC(CO)=CC(CO)=C2)C=C(C(=O)[O-])O1	REAL300000474902	0	39	-2.0	-108.52	353.43	-0.37	-108.89
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1	REAL300000474903	0	35	-2.0	-86.97	329.44	2.23	-84.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC=C1F	REAL300000474904	0	28	-2.0	-112.75	277.41	3.63	-109.12
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474905	0	36	-2.0	-101.49	332.60	4.74	-96.75
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474906	0	28	-2.0	-97.63	289.41	4.36	-93.27
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474907	0	32	-2.0	-106.48	301.13	3.44	-103.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC=C1Br	REAL300000474908	0	28	-2.0	-110.45	289.12	4.09	-106.36
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1	REAL300000474909	0	32	-2.0	-92.48	304.43	4.93	-87.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1C(=O)[O-]	REAL300000474910	0	31	-2.0	-117.05	292.95	4.25	-112.80
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474911	0	28	-2.0	-98.09	286.06	4.21	-93.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC=C1Cl	REAL300000474912	0	28	-2.0	-110.99	285.38	4.00	-106.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C(Cl)C=C1Cl	REAL300000474913	0	28	-2.0	-94.23	298.56	4.60	-89.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1C	REAL300000474914	0	34	-2.0	-104.49	305.38	4.96	-99.53
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474915	0	28	-2.0	-99.15	278.46	3.70	-95.45
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1	REAL300000474916	0	34	-2.0	-91.11	316.55	5.23	-85.88
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474917	0	25	-2.0	-98.20	266.17	2.66	-95.54
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474918	0	31	-2.0	-102.84	288.42	4.43	-98.41
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1	REAL300000474919	0	32	-2.0	-91.14	304.05	3.92	-87.22
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CC=C[N+]([O-])=C3)C=C2)C1	REAL300000474920	0	39	-2.0	-87.30	349.82	4.71	-82.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C(Br)S1	REAL300000474921	0	25	-2.0	-94.52	283.17	3.44	-91.08
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474922	0	32	-2.0	-103.71	297.19	2.46	-101.25
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1F	REAL300000474923	0	28	-2.0	-100.52	297.88	4.28	-96.24
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474924	0	28	-2.0	-94.71	282.11	3.33	-91.38
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1C(=O)[O-]	REAL300000474925	0	34	-2.0	-103.68	304.44	4.97	-98.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CS1	REAL300000474926	0	25	-2.0	-110.93	264.53	2.64	-108.29
COC1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000474927	0	36	-2.0	-103.71	331.29	3.46	-100.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1C(=O)[O-]	REAL300000474928	0	32	-2.0	-120.67	300.15	3.67	-117.00
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474929	0	38	-2.0	-105.78	328.22	6.28	-99.50
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474930	0	37	-2.0	-104.34	326.89	5.66	-98.68
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474931	0	34	-2.0	-101.34	303.13	5.37	-95.97
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474932	0	35	-2.0	-107.95	323.42	4.21	-103.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC(C(=O)[O-])=C1	REAL300000474933	0	30	-3.0	-175.94	301.39	4.20	-171.74
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474934	0	35	-2.0	-106.20	317.23	5.54	-100.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC2=C1OCCO2	REAL300000474935	0	34	-2.0	-107.89	315.15	3.41	-104.48
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474936	0	32	-2.0	-104.77	301.97	2.74	-102.03
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C[N+]([O-])=C3)C=C2C1	REAL300000474937	0	36	-2.0	-102.44	325.79	4.20	-98.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC(Cl)=C1Cl	REAL300000474938	0	28	-2.0	-93.77	300.66	4.49	-89.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C(Cl)C=C1F	REAL300000474939	0	28	-2.0	-95.74	290.58	4.23	-91.51
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1Cl	REAL300000474940	0	32	-2.0	-100.64	319.97	4.43	-96.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC=C1OCC(=O)[O-]	REAL300000474941	0	35	-2.0	-91.50	324.14	4.63	-86.87
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1F	REAL300000474942	0	38	-2.0	-101.97	352.61	4.86	-97.11
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474943	0	31	-2.0	-94.58	293.69	4.47	-90.11
CC1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC=C1OCCCC(=O)[O-]	REAL300000474944	0	41	-2.0	-102.90	366.46	5.52	-97.38
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1F	REAL300000474945	0	32	-2.0	-101.66	310.17	3.95	-97.71
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1Cl	REAL300000474946	0	38	-2.0	-101.58	362.42	5.34	-96.24
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1C(=O)[O-]	REAL300000474947	0	35	-2.0	-121.36	322.01	4.58	-116.78
CC1=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C(C(=O)[O-])S1	REAL300000474948	0	28	-2.0	-100.19	281.59	3.54	-96.65
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474949	0	28	-2.0	-92.57	301.21	4.66	-87.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C(Cl)=C1	REAL300000474950	0	28	-2.0	-90.39	286.04	4.20	-86.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C(Br)=C1	REAL300000474951	0	28	-2.0	-90.10	289.39	4.34	-85.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1F	REAL300000474952	0	28	-2.0	-92.73	277.51	3.69	-89.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)S1	REAL300000474953	0	25	-2.0	-93.77	265.26	2.77	-91.00
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474954	0	28	-2.0	-94.95	279.39	3.71	-91.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1F	REAL300000474955	0	31	-2.0	-100.12	298.75	4.34	-95.78
COC1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000474956	0	32	-2.0	-95.18	313.30	4.27	-90.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C(F)=C1	REAL300000474957	0	28	-2.0	-91.76	278.45	3.71	-88.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1Cl	REAL300000474958	0	28	-2.0	-90.43	285.48	4.05	-86.38
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474959	0	31	-2.0	-95.98	302.43	4.85	-91.13
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474960	0	31	-2.0	-95.78	308.09	4.99	-90.79
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1	REAL300000474961	0	36	-2.0	-89.73	336.73	5.05	-84.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1Br	REAL300000474962	0	28	-2.0	-89.90	289.22	4.15	-85.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC(F)=C1F	REAL300000474963	0	28	-2.0	-94.05	283.81	3.73	-90.32
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474964	0	30	-2.0	-89.70	301.18	4.31	-85.39
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474965	0	28	-3.0	-191.68	279.14	2.24	-189.44
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1C(=O)[O-]	REAL300000474966	0	31	-2.0	-98.40	310.83	4.80	-93.60
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1	REAL300000474967	0	31	-2.0	-94.42	295.15	4.42	-90.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC(Cl)=C1F	REAL300000474968	0	28	-2.0	-95.12	293.69	4.17	-90.95
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474969	0	31	-2.0	-100.84	283.05	4.28	-96.56
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474970	0	31	-2.0	-96.37	306.46	4.94	-91.43
CC1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000474971	0	31	-2.0	-102.71	297.82	4.29	-98.42
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474972	0	31	-2.0	-92.70	288.40	4.42	-88.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000474973	0	34	-2.0	-106.87	310.48	4.84	-102.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000474974	0	30	-2.0	-113.84	299.43	4.69	-109.15
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474975	0	28	-2.0	-91.89	284.74	3.77	-88.12
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)S1	REAL300000474976	0	25	-2.0	-102.50	285.45	3.30	-99.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C(C)=C1C(=O)[O-]	REAL300000474977	0	34	-2.0	-104.94	307.46	5.04	-99.90
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1C(=O)[O-]	REAL300000474978	0	31	-2.0	-101.04	298.30	4.34	-96.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1Cl	REAL300000474979	0	31	-2.0	-99.41	304.75	4.78	-94.63
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474980	0	31	-2.0	-108.84	298.00	4.33	-104.51
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1C(=O)[O-]	REAL300000474981	0	34	-2.0	-116.46	307.11	4.79	-111.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C(Br)C=C1F	REAL300000474982	0	28	-2.0	-95.36	293.93	4.37	-90.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1CC(=O)[O-]	REAL300000474983	0	35	-2.0	-118.32	323.34	3.74	-114.58
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474984	0	31	-2.0	-95.46	303.53	4.91	-90.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1C(F)(F)F	REAL300000474985	0	31	-2.0	-89.64	303.11	4.44	-85.20
CC1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC(C(=O)[O-])=C1Cl	REAL300000474986	0	31	-2.0	-100.98	304.21	4.60	-96.38
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474987	0	28	-2.0	-96.44	294.28	4.25	-92.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1Br	REAL300000474988	0	31	-2.0	-99.17	307.56	4.91	-94.26
CCN1C=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1C(=O)[O-]	REAL300000474989	0	32	-2.0	-103.03	301.01	3.86	-99.17
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C(C)=C1CC(=O)[O-]	REAL300000474990	0	40	-2.0	-104.92	338.14	6.52	-98.40
O=C([O-])C1=CC(F)=C(Br)C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000474991	0	28	-2.0	-91.00	295.09	4.40	-86.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C(F)C(Cl)=C1F	REAL300000474992	0	28	-2.0	-91.20	298.57	4.21	-86.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C(OC(F)(F)F)=C1	REAL300000474993	0	32	-2.0	-91.57	317.69	3.94	-87.63
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1C(=O)[O-]	REAL300000474994	0	31	-2.0	-97.92	306.73	4.71	-93.21
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C(C(=O)[O-])S1	REAL300000474995	0	37	-2.0	-100.18	322.45	5.77	-94.41
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1C(=O)[O-]	REAL300000474996	0	32	-2.0	-103.50	313.31	4.28	-99.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC=C1C(=O)[O-]	REAL300000474997	0	31	-2.0	-92.40	288.99	4.18	-88.22
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C([N+](=O)[O-])=C1	REAL300000474998	0	33	-2.0	-97.96	316.25	5.82	-92.14
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000474999	0	31	-2.0	-101.13	292.94	4.46	-96.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1[N+](=O)[O-]	REAL300000475000	0	30	-2.0	-111.73	296.71	5.50	-106.23
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1F	REAL300000475001	0	28	-2.0	-108.40	276.65	3.67	-104.73
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C1C(=O)[O-]	REAL300000475002	0	31	-2.0	-96.44	297.93	4.32	-92.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC2=CC=CC=C21	REAL300000475003	0	34	-2.0	-110.81	314.02	5.77	-105.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C[N+]([O-])=C1	REAL300000475004	0	32	-2.0	-95.71	301.19	3.44	-92.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C(Cl)O1	REAL300000475005	0	25	-2.0	-92.10	273.13	2.62	-89.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=CC=C1OC(F)(F)F	REAL300000475006	0	32	-2.0	-110.40	316.65	4.15	-106.25
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)=C1	REAL300000475007	0	31	-2.0	-95.43	316.33	0.68	-94.75
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C[N+]([O-])=C3)C=C2)CC1	REAL300000475008	0	35	-2.0	-97.79	319.11	5.53	-92.26
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C[N+]([O-])=C3)C=C2C1	REAL300000475009	0	35	-2.0	-102.62	318.43	5.53	-97.09
CCC1=C(S(=O)(=O)[N-]C2=CC=C[N+]([O-])=C2)C=C(C(=O)[O-])O1	REAL300000475010	0	31	-2.0	-97.09	295.12	3.64	-93.45
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1Cl	REAL300000475011	0	35	-2.0	-86.23	344.36	1.67	-84.56
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1Cl	REAL300000475012	0	28	-2.0	-102.04	292.45	3.10	-98.94
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(Cl)N(C)N=C1	REAL300000475013	0	36	-2.0	-102.84	347.51	4.17	-98.67
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=C1Cl	REAL300000475014	0	28	-2.0	-99.51	304.32	3.79	-95.72
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1Cl	REAL300000475015	0	28	-2.0	-92.34	287.88	3.09	-89.25
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1Cl	REAL300000475016	0	28	-2.0	-104.21	287.90	3.07	-101.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(Cl)N(C)N=C1	REAL300000475017	0	32	-2.0	-109.18	316.04	2.89	-106.29
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=C1Cl	REAL300000475018	0	28	-2.0	-99.67	304.17	3.56	-96.11
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1Cl	REAL300000475019	0	32	-2.0	-92.01	319.35	4.38	-87.63
CC1=CC=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C1C(=O)[O-]	REAL300000475020	0	31	-2.0	-105.03	303.93	3.61	-101.42
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1Cl	REAL300000475021	0	28	-2.0	-100.08	300.97	3.64	-96.44
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000475022	0	28	-2.0	-100.17	300.43	3.47	-96.70
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1Cl	REAL300000475023	0	28	-2.0	-95.85	313.48	4.02	-91.83
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)=C1C	REAL300000475024	0	34	-2.0	-107.09	320.58	4.43	-102.66
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1Cl	REAL300000475025	0	28	-2.0	-101.33	293.37	3.15	-98.18
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1Cl	REAL300000475026	0	34	-2.0	-91.16	331.47	4.66	-86.50
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1Cl	REAL300000475027	0	25	-2.0	-98.78	281.09	2.11	-96.67
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(Cl)N(C)N=C1	REAL300000475028	0	31	-2.0	-105.02	303.35	3.87	-101.15
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1Cl	REAL300000475029	0	32	-2.0	-90.69	318.97	3.36	-87.33
CN1N=CC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=C1Cl	REAL300000475030	0	39	-2.0	-87.23	364.73	4.14	-83.09
CN1C=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C1C(=O)[O-]	REAL300000475031	0	29	-2.0	-102.77	294.55	2.44	-100.33
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(Cl)N(C)N=C1	REAL300000475032	0	32	-2.0	-105.70	311.69	1.91	-103.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)=C1	REAL300000475033	0	28	-2.0	-94.95	297.02	2.76	-92.19
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C1C(=O)[O-]	REAL300000475034	0	34	-2.0	-106.12	319.35	4.40	-101.72
CN1N=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1Cl	REAL300000475035	0	25	-2.0	-100.07	279.55	2.12	-97.95
COC1=CC(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000475036	0	36	-2.0	-104.58	346.25	2.89	-101.69
COC1=CC=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C1C(=O)[O-]	REAL300000475037	0	32	-2.0	-109.96	315.20	3.14	-106.82
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1Cl	REAL300000475038	0	38	-2.0	-108.63	343.14	5.71	-102.92
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(Cl)N(C)N=C1	REAL300000475039	0	37	-2.0	-106.96	341.80	5.08	-101.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(Cl)N(C)N=C1	REAL300000475040	0	34	-2.0	-103.44	318.03	4.80	-98.64
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(Cl)N(C)N=C1	REAL300000475041	0	35	-2.0	-108.91	338.32	3.65	-105.26
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1Cl	REAL300000475042	0	30	-3.0	-177.97	316.32	3.66	-174.31
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1Cl	REAL300000475043	0	35	-2.0	-108.93	330.75	5.00	-103.93
CC1=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C(C(=O)[O-])O1	REAL300000475044	0	28	-2.0	-98.64	290.92	2.23	-96.41
CN1N=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1Cl	REAL300000475045	0	34	-2.0	-108.94	330.07	2.86	-106.08
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)=C1	REAL300000475046	0	32	-2.0	-104.90	316.83	2.18	-102.72
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1Cl	REAL300000475047	0	36	-2.0	-91.88	341.54	3.69	-88.19
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1Cl	REAL300000475048	0	28	-2.0	-94.11	315.60	3.92	-90.19
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1Cl	REAL300000475049	0	28	-2.0	-97.11	305.51	3.66	-93.45
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1Cl	REAL300000475050	0	32	-2.0	-89.35	335.02	3.90	-85.45
CC1=CC(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000475051	0	35	-2.0	-91.15	339.06	4.06	-87.09
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1Cl	REAL300000475052	0	38	-2.0	-90.34	367.66	4.33	-86.01
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(Cl)N(C)N=C1	REAL300000475053	0	31	-2.0	-95.91	308.61	3.90	-92.01
CC1=CC(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000475054	0	41	-2.0	-91.30	381.51	4.99	-86.31
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1Cl	REAL300000475055	0	32	-2.0	-90.38	325.21	3.42	-86.96
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C1C(=O)[O-]	REAL300000475056	0	35	-2.0	-110.57	337.06	4.05	-106.52
CC1=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C(C(=O)[O-])S1	REAL300000475057	0	28	-2.0	-101.68	297.59	2.97	-98.71
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1Cl	REAL300000475058	0	28	-2.0	-94.07	316.13	4.09	-89.98
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1Cl	REAL300000475059	0	28	-2.0	-90.05	300.95	3.63	-86.42
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=C1Cl	REAL300000475060	0	28	-2.0	-89.70	304.30	3.78	-85.92
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1Cl	REAL300000475061	0	28	-2.0	-92.03	292.45	3.11	-88.92
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1Cl	REAL300000475062	0	25	-2.0	-93.86	280.16	2.20	-91.66
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000475063	0	28	-2.0	-95.39	294.33	3.14	-92.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)=C1F	REAL300000475064	0	31	-2.0	-102.51	313.65	3.79	-98.72
COC1=CC(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000475065	0	32	-2.0	-94.70	328.22	3.71	-90.99
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1Cl	REAL300000475066	0	28	-2.0	-91.58	293.36	3.15	-88.43
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1Cl	REAL300000475067	0	28	-2.0	-90.03	300.42	3.48	-86.55
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(Cl)N(C)N=C1	REAL300000475068	0	31	-2.0	-97.58	317.34	4.29	-93.29
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1Cl	REAL300000475069	0	36	-2.0	-88.93	351.63	4.49	-84.44
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=C1Cl	REAL300000475070	0	28	-2.0	-89.56	304.15	3.57	-85.99
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1Cl	REAL300000475071	0	28	-2.0	-93.89	298.74	3.17	-90.72
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1Cl	REAL300000475072	0	30	-2.0	-89.61	316.09	3.74	-85.87
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1Cl	REAL300000475073	0	28	-3.0	-196.96	294.04	1.68	-195.28
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1Cl	REAL300000475073	1	29	-2.0	-104.15	297.62	0.79	-103.36
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1Cl	REAL300000475074	0	31	-2.0	-95.59	310.08	3.86	-91.73
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1Cl	REAL300000475075	0	28	-2.0	-95.23	308.63	3.61	-91.62
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(Cl)N(C)N=C1	REAL300000475076	0	31	-2.0	-100.27	297.94	3.71	-96.56
CC1=CC(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000475077	0	31	-2.0	-103.20	312.74	3.72	-99.48
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(Cl)N(C)N=C1	REAL300000475078	0	31	-2.0	-92.60	303.31	3.86	-88.74
CC1=CC(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000475079	0	34	-2.0	-106.91	320.78	4.14	-102.77
CN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1Cl	REAL300000475080	0	30	-2.0	-102.94	314.47	4.17	-98.77
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1Cl	REAL300000475081	0	28	-2.0	-93.24	299.67	3.20	-90.04
CC1=CC=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000475082	0	34	-2.0	-104.68	321.44	4.49	-100.19
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C1C(=O)[O-]	REAL300000475083	0	31	-2.0	-103.29	313.23	3.77	-99.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)=C1Cl	REAL300000475084	0	31	-2.0	-101.56	319.66	4.21	-97.35
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)=C1	REAL300000475085	0	31	-2.0	-108.44	312.96	3.77	-104.67
CCC1=CC=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C1C(=O)[O-]	REAL300000475086	0	34	-2.0	-105.76	322.23	4.26	-101.50
COC1=CC=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C1CC(=O)[O-]	REAL300000475087	0	35	-2.0	-106.31	338.39	3.21	-103.10
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(Cl)N(C)N=C1	REAL300000475088	0	31	-2.0	-93.92	314.16	4.26	-89.66
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1Cl	REAL300000475089	0	31	-2.0	-89.02	318.02	3.88	-85.14
CC1=CC(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000475090	0	31	-2.0	-101.82	319.13	4.03	-97.79
CN1N=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000475091	0	28	-2.0	-97.15	309.22	3.69	-93.46
CCN1C=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C1C(=O)[O-]	REAL300000475092	0	32	-2.0	-103.94	315.93	3.31	-100.63
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000475093	0	40	-2.0	-104.15	353.06	5.95	-98.20
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1Cl	REAL300000475094	0	28	-2.0	-92.25	313.50	3.64	-88.61
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=C1Cl	REAL300000475095	0	32	-2.0	-91.30	332.60	3.38	-87.92
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C1C(=O)[O-]	REAL300000475096	0	31	-2.0	-98.69	321.68	4.14	-94.55
CN1N=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1Cl	REAL300000475097	0	37	-2.0	-101.51	337.36	5.21	-96.30
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C1C(=O)[O-]	REAL300000475098	0	32	-2.0	-105.47	328.23	3.71	-101.76
CC1=CC(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000475099	0	31	-2.0	-92.37	303.91	3.62	-88.75
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1Cl	REAL300000475100	0	33	-2.0	-96.50	328.63	5.25	-91.25
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(Cl)N(C)N=C1	REAL300000475101	0	31	-2.0	-102.96	307.45	3.91	-99.05
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1Cl	REAL300000475102	0	30	-2.0	-110.76	311.64	4.93	-105.83
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1Cl	REAL300000475103	0	28	-2.0	-107.88	291.57	3.11	-104.77
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C1C(=O)[O-]	REAL300000475104	0	31	-2.0	-96.94	312.87	3.75	-93.19
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1Cl	REAL300000475105	0	34	-2.0	-112.01	328.95	5.20	-106.81
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1Cl	REAL300000475106	0	27	-2.0	-101.29	284.89	1.15	-100.14
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(Cl)N(C)N=C1	REAL300000475107	0	32	-2.0	-96.26	316.10	2.88	-93.38
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1Cl	REAL300000475108	0	25	-2.0	-92.64	288.00	2.06	-90.58
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=C1Cl	REAL300000475109	0	32	-2.0	-99.68	331.70	3.63	-96.05
CN1N=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=C1Cl	REAL300000475110	0	31	-2.0	-95.49	331.25	0.11	-95.38
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1Cl	REAL300000475111	0	35	-2.0	-98.59	334.04	4.96	-93.63
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1Cl	REAL300000475112	0	35	-2.0	-100.93	332.00	4.94	-95.99
CCC1=C(S(=O)(=O)[N-]C2=C(Cl)N(C)N=C2)C=C(C(=O)[O-])O1	REAL300000475113	0	31	-2.0	-98.46	310.03	3.08	-95.38
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2F)=C1	REAL300000475118	1	28	-2.0	-100.60	297.95	5.75	-94.85
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2F)=C1	REAL300000475119	0	25	-2.0	-98.61	285.66	4.70	-93.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2F)=C1	REAL300000475122	1	28	-2.0	-94.85	301.58	5.36	-89.49
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2F)C=C(C(=O)[O-])O1	REAL300000475124	1	28	-2.0	-97.63	295.48	4.82	-92.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2F)S1	REAL300000475127	1	25	-2.0	-93.66	284.73	4.81	-88.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2F)C(F)=C1	REAL300000475129	1	28	-2.0	-91.53	297.93	5.76	-85.77
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(Br)=C2F)=C1	REAL300000475130	0	29	-2.0	-100.98	297.82	3.74	-97.24
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2F)=C1F	REAL300000475136	1	28	-2.0	-109.24	296.11	5.71	-103.53
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2F)=C1	REAL300000475137	0	27	-2.0	-107.64	285.03	3.85	-103.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2F)=C(Cl)O1	REAL300000475138	1	25	-2.0	-91.94	292.58	4.66	-87.28
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2F)C=C(C(=O)[O-])O1	REAL300000475139	1	31	-2.0	-97.36	314.59	5.67	-91.69
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000475140	0	33	-2.0	-98.33	321.02	4.85	-93.48
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CN=C1C(F)(F)F	REAL300000475141	0	33	-2.0	-88.69	316.48	4.83	-83.86
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000475142	0	33	-2.0	-100.49	316.25	4.78	-95.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)(F)F)C(C)=C1	REAL300000475143	0	37	-2.0	-106.17	344.62	4.62	-101.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CN=C1C(F)(F)F	REAL300000475144	0	37	-2.0	-88.89	347.94	6.12	-82.77
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000475145	0	36	-2.0	-101.40	332.50	5.35	-96.05
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CN=C1C(F)(F)F	REAL300000475146	0	33	-2.0	-96.78	329.55	5.40	-91.38
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000475147	0	33	-2.0	-96.49	328.99	5.21	-91.28
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CN=C1C(F)(F)F	REAL300000475148	0	39	-2.0	-104.07	348.87	6.14	-97.93
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CN=C1C(F)(F)F	REAL300000475149	0	33	-2.0	-97.98	321.96	4.89	-93.09
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CN=C1C(F)(F)F	REAL300000475150	0	39	-2.0	-88.13	360.06	6.41	-81.72
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CN=C1C(F)(F)F	REAL300000475151	0	30	-2.0	-94.86	309.67	3.85	-91.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)(F)F)C(C)=C1	REAL300000475152	0	36	-2.0	-102.32	331.91	5.61	-96.71
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CN=C1C(F)(F)F	REAL300000475153	0	37	-2.0	-87.50	347.56	5.10	-82.40
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000475154	0	34	-2.0	-98.87	323.13	4.18	-94.69
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)(F)F)C(C)=C1	REAL300000475155	1	37	-2.0	-102.73	340.69	3.65	-99.08
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C(C)=C2)=C1	REAL300000475156	0	33	-2.0	-91.21	325.59	4.50	-86.71
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000475157	0	39	-2.0	-103.70	347.55	6.16	-97.54
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000475158	0	30	-2.0	-96.44	307.89	3.81	-92.63
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000475159	0	37	-2.0	-106.33	343.78	4.89	-101.44
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)(F)F)C(C)=C1	REAL300000475160	0	39	-2.0	-101.11	346.61	6.55	-94.56
CC1=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000475161	0	33	-2.0	-95.33	319.48	3.97	-91.36
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C(C)=C2)=C1	REAL300000475162	0	37	-2.0	-101.40	345.46	3.91	-97.49
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CN=C1C(F)(F)F	REAL300000475163	0	36	-2.0	-92.95	337.20	5.64	-87.31
CC1=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000475164	0	33	-2.0	-98.81	325.08	4.72	-94.09
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CN=C1C(F)(F)F	REAL300000475165	0	33	-2.0	-86.45	329.53	5.39	-81.06
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CN=C1C(F)(F)F	REAL300000475166	0	33	-2.0	-88.42	321.00	4.87	-83.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CN=C1C(F)(F)F	REAL300000475167	0	30	-2.0	-90.12	308.75	3.95	-86.17
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000475168	0	33	-2.0	-91.55	322.89	4.89	-86.66
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CN=C1C(F)(F)F	REAL300000475169	0	36	-2.0	-99.20	342.22	5.52	-93.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CN=C1C(F)(F)F	REAL300000475170	0	33	-2.0	-87.82	321.94	4.90	-82.92
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN=C1C(F)(F)F	REAL300000475171	0	33	-2.0	-86.34	328.98	5.23	-81.11
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000475172	0	33	-2.0	-90.15	327.31	4.92	-85.23
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CN=C1C(F)(F)F	REAL300000475173	0	34	-2.0	-101.47	326.18	2.54	-98.93
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CN=C1C(F)(F)F	REAL300000475174	0	36	-2.0	-92.50	338.66	5.60	-86.90
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CN=C1C(F)(F)F	REAL300000475175	0	36	-2.0	-96.32	326.55	5.45	-90.87
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000475176	0	36	-2.0	-99.46	341.33	5.47	-93.99
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C(F)(F)F)C(C)=C1	REAL300000475177	0	36	-2.0	-89.25	331.89	5.60	-83.65
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000475178	0	39	-2.0	-103.15	349.37	5.88	-97.27
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CN=C1C(F)(F)F	REAL300000475179	0	33	-2.0	-89.70	328.23	4.95	-84.75
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000475180	0	39	-2.0	-100.47	350.96	6.21	-94.26
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000475181	0	36	-2.0	-98.96	337.95	5.43	-93.53
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C(C)=C2)=C1	REAL300000475182	0	36	-2.0	-104.22	341.51	5.51	-98.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000475183	0	39	-2.0	-102.13	350.76	6.00	-96.13
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000475184	0	37	-2.0	-100.06	344.50	5.05	-95.01
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000475185	0	36	-2.0	-88.69	332.49	5.37	-83.32
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)(F)F)C(C)=C1	REAL300000475186	0	36	-2.0	-99.99	336.44	5.64	-94.35
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CN=C1C(F)(F)F	REAL300000475187	0	33	-2.0	-103.67	320.09	4.85	-98.82
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000475188	0	36	-2.0	-93.15	341.42	5.50	-87.65
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CN=C1C(F)(F)F	REAL300000475189	0	32	-2.0	-98.25	313.46	2.89	-95.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C(F)(F)F)C(C)=C1	REAL300000475190	0	37	-2.0	-92.66	344.68	4.63	-88.03
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000475191	0	30	-2.0	-89.05	316.63	3.80	-85.25
CCC1=C(S(=O)(=O)[N-]C2=CN=C(C(F)(F)F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000475192	0	36	-2.0	-95.42	338.61	4.82	-90.60
CC1N(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC=C2C1(C)C	REAL300000475217	0	44	-2.0	-112.78	370.77	8.88	-103.90
CC1N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C2C1(C)C	REAL300000475237	0	42	-2.0	-114.25	345.27	7.32	-106.93
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300000475268	1	43	-2.0	-85.47	384.81	4.88	-80.59
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000475269	1	36	-2.0	-101.17	332.89	6.32	-94.85
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1	REAL300000475270	0	44	-2.0	-101.83	387.98	7.38	-94.45
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000475271	1	36	-2.0	-91.54	328.33	6.30	-85.24
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000475272	1	36	-2.0	-103.40	328.37	6.29	-97.11
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000475273	0	40	-2.0	-108.06	356.50	6.09	-101.97
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000475274	1	40	-2.0	-91.27	359.80	7.59	-83.68
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000475275	1	39	-2.0	-105.76	348.44	6.94	-98.82
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000475276	0	36	-2.0	-98.67	341.43	6.87	-91.80
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000475277	1	36	-2.0	-99.41	340.86	6.69	-92.72
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000475278	1	42	-2.0	-105.64	360.75	7.61	-98.03
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000475279	0	36	-2.0	-100.07	333.83	6.36	-93.71
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000475280	1	42	-2.0	-90.24	371.92	7.88	-82.36
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000475281	0	33	-2.0	-97.89	321.54	5.32	-92.57
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000475282	1	39	-2.0	-103.86	343.79	7.09	-96.77
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000475283	1	40	-2.0	-89.90	359.43	6.58	-83.32
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000475284	0	37	-2.0	-101.83	335.01	5.65	-96.18
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1	REAL300000475285	1	40	-2.0	-104.62	352.15	5.13	-99.49
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000475286	0	36	-2.0	-94.12	337.49	5.98	-88.14
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1	REAL300000475287	1	42	-2.0	-104.99	359.82	7.62	-97.37
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000475288	0	33	-2.0	-99.33	320.01	5.35	-93.98
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300000475289	1	44	-2.0	-103.73	386.64	6.11	-97.62
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300000475290	1	40	-2.0	-109.27	355.65	6.36	-102.91
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1	REAL300000475291	1	46	-2.0	-107.39	383.59	8.92	-98.47
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000475292	1	45	-2.0	-105.82	382.25	8.31	-97.51
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1	REAL300000475293	1	42	-2.0	-102.38	358.50	8.03	-94.35
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000475294	0	43	-2.0	-108.98	378.79	6.86	-102.12
CCC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000475295	0	39	-2.0	-112.48	359.49	6.82	-105.66
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000475295	1	38	-3.0	-181.89	356.76	6.86	-175.03
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000475296	1	43	-2.0	-107.75	372.60	8.20	-99.55
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000475297	0	36	-2.0	-97.40	331.37	5.44	-91.96
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000475298	1	42	-2.0	-108.18	370.52	6.07	-102.11
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000475299	0	40	-2.0	-104.74	357.32	5.38	-99.36
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1	REAL300000475300	1	44	-2.0	-91.06	381.99	6.91	-84.15
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000475301	0	36	-2.0	-95.70	345.95	6.90	-88.80
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1	REAL300000475302	1	40	-2.0	-88.63	375.45	7.12	-81.51
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1	REAL300000475303	1	43	-2.0	-90.39	379.51	7.28	-83.11
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000475304	1	39	-2.0	-94.77	349.08	7.12	-87.65
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000475305	1	40	-2.0	-89.68	365.65	6.64	-83.04
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)CC)C=C2)C=C1C(=O)[O-]	REAL300000475306	1	43	-2.0	-109.83	377.49	7.27	-102.56
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000475307	0	36	-2.0	-100.51	336.96	6.19	-94.32
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000475308	0	36	-2.0	-93.04	341.41	6.85	-86.19
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000475309	1	36	-2.0	-91.24	332.89	6.33	-84.91
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000475310	0	33	-2.0	-93.07	320.63	5.42	-87.65
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000475311	1	36	-2.0	-98.81	334.76	6.36	-92.45
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000475312	0	39	-2.0	-101.33	354.12	7.00	-94.33
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000475313	0	40	-2.0	-93.92	368.67	6.92	-87.00
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000475314	0	36	-2.0	-94.75	333.82	6.36	-88.39
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000475315	1	36	-2.0	-89.24	340.86	6.70	-82.54
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000475316	1	39	-2.0	-96.43	357.81	7.50	-88.93
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1	REAL300000475317	1	44	-2.0	-88.17	392.10	7.70	-80.47
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000475318	1	36	-2.0	-97.06	339.18	6.39	-90.67
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000475319	0	38	-2.0	-92.97	356.55	6.96	-86.01
CCC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000475320	0	37	-2.0	-103.67	337.30	4.81	-98.86
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000475320	1	37	-2.0	-102.61	338.07	4.01	-98.60
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000475321	1	39	-2.0	-94.35	350.52	7.08	-87.27
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000475322	1	36	-2.0	-98.39	349.06	6.82	-91.57
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000475323	1	39	-2.0	-101.29	342.18	7.03	-94.26
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000475324	1	39	-2.0	-106.72	353.19	6.94	-99.78
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300000475325	1	39	-2.0	-91.82	343.77	7.07	-84.75
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000475326	1	42	-2.0	-110.81	361.23	7.36	-103.45
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000475327	0	38	-2.0	-102.40	354.93	7.38	-95.02
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000475328	0	36	-2.0	-97.18	340.12	6.42	-90.76
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1	REAL300000475329	1	42	-2.0	-104.27	362.83	7.69	-96.58
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000475330	0	39	-2.0	-101.09	349.83	6.89	-94.20
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000475331	0	39	-2.0	-100.31	360.12	7.43	-92.88
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000475332	0	39	-2.0	-108.64	353.37	6.98	-101.66
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=C1	REAL300000475333	1	42	-2.0	-105.01	362.29	7.48	-97.53
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=C1	REAL300000475334	1	43	-2.0	-106.30	378.82	6.42	-99.88
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000475335	1	39	-2.0	-93.38	355.15	7.44	-85.94
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000475336	1	39	-2.0	-105.48	359.58	7.25	-98.23
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000475337	0	40	-2.0	-103.07	356.38	6.51	-96.56
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=C1	REAL300000475338	1	48	-2.0	-102.74	393.51	9.15	-93.59
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000475339	1	39	-2.0	-97.99	362.14	7.36	-90.63
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1	REAL300000475340	0	45	-2.0	-100.44	377.81	8.43	-92.01
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1	REAL300000475341	0	40	-2.0	-104.18	368.68	6.93	-97.25
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300000475342	1	39	-2.0	-91.63	344.36	6.84	-84.79
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300000475343	0	41	-2.0	-95.29	369.07	8.46	-86.83
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1	REAL300000475344	1	39	-2.0	-101.55	348.30	7.12	-94.43
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000475345	0	38	-2.0	-111.11	352.11	8.15	-102.96
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000475346	0	36	-2.0	-107.98	331.97	6.32	-101.66
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000475347	1	39	-2.0	-96.23	353.32	6.97	-89.26
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000475348	1	42	-2.0	-111.45	369.39	8.41	-103.04
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000475349	0	35	-2.0	-105.48	324.57	4.43	-101.05
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000475350	0	40	-2.0	-95.50	356.56	6.10	-89.40
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000475351	0	33	-2.0	-91.49	328.51	5.27	-86.22
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000475352	1	43	-2.0	-97.66	374.48	8.18	-89.48
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000475353	1	43	-2.0	-105.43	373.80	8.18	-97.25
CCC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000475354	0	39	-2.0	-97.24	350.48	6.29	-90.95
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C	REAL300000475355	1	42	-2.0	-89.30	370.19	3.73	-85.57
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000475356	1	35	-2.0	-105.77	318.26	5.17	-100.60
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1C	REAL300000475357	0	43	-2.0	-106.58	373.35	6.23	-100.35
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000475358	1	35	-2.0	-95.82	313.72	5.15	-90.67
COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000475359	1	35	-2.0	-108.36	313.73	5.14	-103.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1C	REAL300000475360	0	39	-2.0	-113.69	341.88	4.94	-108.75
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C	REAL300000475361	1	39	-2.0	-95.34	345.18	6.43	-88.91
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000475362	1	38	-2.0	-109.56	329.75	5.67	-103.89
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C	REAL300000475363	0	35	-2.0	-103.77	326.80	5.71	-98.06
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000475364	1	35	-2.0	-104.19	326.24	5.53	-98.66
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1C	REAL300000475365	0	35	-2.0	-99.36	339.30	6.09	-93.27
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C	REAL300000475366	1	41	-2.0	-110.83	346.84	6.47	-104.36
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000475367	0	35	-2.0	-105.56	319.21	5.20	-100.36
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300000475368	1	41	-2.0	-94.73	357.31	6.72	-88.01
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000475369	0	32	-2.0	-102.64	306.92	4.15	-98.49
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000475370	1	38	-2.0	-108.99	329.17	5.92	-103.07
COC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000475372	0	36	-2.0	-106.72	320.38	4.49	-102.23
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000475374	0	35	-2.0	-98.73	322.84	4.82	-93.91
COC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000475376	0	32	-2.0	-104.01	305.38	4.17	-99.84
COC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1C	REAL300000475377	1	43	-2.0	-108.80	372.06	4.95	-103.85
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C	REAL300000475379	1	45	-2.0	-112.93	368.96	7.77	-105.16
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C	REAL300000475380	1	44	-2.0	-111.21	367.63	7.15	-104.06
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1C	REAL300000475381	1	41	-2.0	-107.21	343.35	6.85	-100.36
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1C	REAL300000475382	0	42	-2.0	-114.39	364.16	5.70	-108.69
COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000475383	0	38	-2.0	-108.70	341.40	5.63	-103.07
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000475383	1	37	-3.0	-183.98	342.14	5.69	-178.29
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C	REAL300000475384	1	42	-2.0	-113.33	357.98	7.03	-106.30
COC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000475385	0	35	-2.0	-102.07	316.74	4.27	-97.80
COC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C	REAL300000475386	1	41	-2.0	-113.21	355.89	4.91	-108.30
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C	REAL300000475387	0	39	-2.0	-109.34	342.72	4.23	-105.11
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1C	REAL300000475388	1	43	-2.0	-94.63	366.66	5.73	-88.90
COC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000475389	1	35	-2.0	-97.90	341.41	5.98	-91.92
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1C	REAL300000475390	0	35	-2.0	-100.47	331.33	5.73	-94.74
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1C	REAL300000475391	1	39	-2.0	-92.49	360.85	5.96	-86.53
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1C	REAL300000475393	1	45	-2.0	-93.25	393.49	6.38	-86.87
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C	REAL300000475394	1	38	-2.0	-99.54	334.45	5.96	-93.58
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C	REAL300000475396	1	39	-2.0	-93.46	351.04	5.48	-87.98
COC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000475398	0	35	-2.0	-105.24	323.43	5.02	-100.22
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1C	REAL300000475399	0	35	-2.0	-97.51	341.96	6.16	-91.35
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000475400	0	35	-2.0	-93.32	326.78	5.70	-87.62
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000475401	1	35	-2.0	-95.25	318.24	5.18	-90.07
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000475402	0	32	-2.0	-97.49	305.99	4.27	-93.22
COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000475403	1	35	-2.0	-99.15	320.15	5.20	-93.95
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C	REAL300000475404	0	38	-2.0	-106.99	339.48	5.83	-101.16
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC)=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000475405	0	39	-2.0	-97.94	354.04	5.76	-92.18
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000475406	0	35	-2.0	-95.28	319.19	5.21	-90.07
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000475407	1	35	-2.0	-93.32	326.22	5.54	-87.78
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1C	REAL300000475408	1	38	-2.0	-101.28	343.18	6.34	-94.94
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C	REAL300000475409	1	43	-2.0	-92.05	377.47	6.55	-85.50
COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000475410	1	35	-2.0	-97.28	324.56	5.23	-92.05
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C	REAL300000475411	0	37	-2.0	-93.34	341.92	5.81	-87.53
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000475412	0	36	-2.0	-107.85	323.45	2.84	-105.01
COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C	REAL300000475412	1	36	-2.0	-106.54	317.41	3.69	-102.85
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000475413	1	38	-2.0	-100.33	335.91	5.91	-94.42
COC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000475414	1	35	-2.0	-98.72	334.44	5.67	-93.05
COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000475415	1	38	-2.0	-104.54	323.77	5.78	-98.76
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000475416	1	38	-2.0	-107.10	338.56	5.79	-101.31
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000475418	1	41	-2.0	-111.47	347.19	6.21	-105.26
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300000475419	0	37	-2.0	-106.55	340.28	6.24	-100.31
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C	REAL300000475420	0	35	-2.0	-97.24	325.46	5.26	-91.98
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C	REAL300000475422	0	38	-2.0	-106.68	335.22	5.74	-100.94
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1C	REAL300000475423	0	38	-2.0	-105.54	345.51	6.28	-99.26
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C	REAL300000475424	0	38	-2.0	-113.42	338.74	5.83	-107.59
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2C)C=C1C(=O)[O-]	REAL300000475425	1	41	-2.0	-110.24	348.05	6.33	-103.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2C)C=C1CC(=O)[O-]	REAL300000475426	1	42	-2.0	-110.98	364.19	5.26	-105.72
COC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1C	REAL300000475427	1	38	-2.0	-97.86	340.00	6.32	-91.54
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1C	REAL300000475428	1	38	-2.0	-92.33	343.84	5.95	-86.38
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000475429	1	38	-2.0	-105.95	344.95	6.10	-99.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2C)C=C1C(=O)[O-]	REAL300000475430	0	39	-2.0	-107.97	341.68	5.35	-102.62
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1C	REAL300000475432	0	35	-2.0	-95.86	339.35	5.70	-90.16
COC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000475433	1	38	-2.0	-101.74	343.60	6.11	-95.63
COC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1C	REAL300000475434	0	44	-2.0	-104.97	363.18	7.27	-97.70
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2C)C=C1C(=O)[O-]	REAL300000475435	0	39	-2.0	-109.31	354.06	5.77	-103.54
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000475436	1	38	-2.0	-95.99	329.73	5.68	-90.31
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1C	REAL300000475437	0	40	-2.0	-99.89	356.98	7.33	-92.56
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1C	REAL300000475438	1	38	-2.0	-106.29	333.68	5.95	-100.34
COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C	REAL300000475439	0	37	-2.0	-115.61	337.48	7.00	-108.61
COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000475440	0	35	-2.0	-112.67	317.36	5.16	-107.51
COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000475441	1	38	-2.0	-99.99	334.90	5.71	-94.28
COC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300000475442	1	41	-2.0	-116.70	354.77	7.26	-109.44
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000475443	0	34	-2.0	-105.37	310.72	3.20	-102.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1C	REAL300000475444	0	39	-2.0	-100.02	341.93	4.93	-95.09
COC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C	REAL300000475445	0	32	-2.0	-95.92	313.84	4.11	-91.81
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C	REAL300000475446	1	42	-2.0	-102.34	359.86	7.02	-95.32
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C	REAL300000475447	1	42	-2.0	-105.43	357.82	7.01	-98.42
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2C)C=C(C(=O)[O-])O1	REAL300000475448	0	38	-2.0	-101.80	335.85	5.13	-96.67
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000475465	0	44	-2.0	-116.53	369.79	4.93	-111.60
CCCN(C1=CC=CC=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000475501	0	40	-2.0	-109.20	370.32	8.71	-100.49
CCCN(C1=CC=CC=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000475524	0	38	-2.0	-109.07	338.52	6.83	-102.24
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000475557	1	36	-2.0	-98.88	336.58	4.45	-94.43
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000475558	1	36	-2.0	-93.39	332.03	4.43	-88.96
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000475559	1	36	-2.0	-104.79	332.05	4.42	-100.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=NN2C)C=C1	REAL300000475560	0	40	-2.0	-110.77	360.18	4.22	-106.55
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000475561	1	40	-2.0	-89.70	363.13	5.71	-83.99
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)C=C1C(=O)[O-]	REAL300000475562	1	39	-2.0	-105.61	347.51	4.94	-100.67
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000475563	0	36	-2.0	-96.47	344.75	4.99	-91.48
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000475564	1	36	-2.0	-96.95	344.55	4.81	-92.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)=C1C	REAL300000475565	1	42	-2.0	-103.39	364.07	5.73	-97.66
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000475566	0	36	-2.0	-97.78	337.16	4.48	-93.30
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000475567	1	42	-2.0	-88.58	375.24	6.01	-82.57
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000475568	0	33	-2.0	-95.77	324.86	3.44	-92.33
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=NN2C)C=C1	REAL300000475569	1	39	-2.0	-106.99	347.48	5.21	-101.78
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000475570	1	40	-2.0	-88.28	362.75	4.70	-83.58
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)C=C1C(=O)[O-]	REAL300000475571	0	37	-2.0	-103.80	338.70	3.76	-100.04
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=NN2C)C=C1	REAL300000475572	1	40	-2.0	-107.76	355.83	3.26	-104.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)=C1	REAL300000475573	0	36	-2.0	-96.12	341.17	4.10	-92.02
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)C=C1C(=O)[O-]	REAL300000475574	1	42	-2.0	-109.46	367.06	5.85	-103.61
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000475575	0	33	-2.0	-100.83	323.69	3.46	-97.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)C=C1C(=O)[O-]	REAL300000475576	1	40	-2.0	-111.29	359.33	4.49	-106.80
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=NN2C)C=C1	REAL300000475577	1	42	-2.0	-105.65	362.18	6.15	-99.50
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000475578	1	43	-2.0	-110.63	376.30	6.32	-104.31
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)C=C(C(=O)[O-])O1	REAL300000475579	0	36	-2.0	-100.14	335.08	3.56	-96.58
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)=C1	REAL300000475580	0	40	-2.0	-102.70	360.64	3.51	-99.19
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=NN2C)C=C1	REAL300000475581	1	39	-2.0	-97.63	352.75	5.24	-92.39
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)C=C(C(=O)[O-])S1	REAL300000475582	0	36	-2.0	-103.46	340.65	4.32	-99.14
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000475583	0	36	-2.0	-90.99	345.10	4.98	-86.01
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000475584	1	36	-2.0	-93.17	336.58	4.46	-88.71
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000475585	0	33	-2.0	-95.03	324.31	3.55	-91.48
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000475586	1	36	-2.0	-96.15	338.08	4.49	-91.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)=C1F	REAL300000475587	0	39	-2.0	-103.86	357.81	5.12	-98.74
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000475588	0	36	-2.0	-92.46	337.51	4.49	-87.97
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000475589	1	36	-2.0	-91.11	344.55	4.82	-86.29
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000475590	1	36	-2.0	-95.03	342.88	4.51	-90.52
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000475591	0	37	-2.0	-100.54	341.39	2.12	-98.42
CN1N=NN=C1C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000475591	1	37	-2.0	-101.55	340.49	2.88	-98.67
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000475592	1	39	-2.0	-92.57	353.84	5.20	-87.37
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=NN2C)C=C1	REAL300000475593	1	39	-2.0	-101.97	345.69	5.16	-96.81
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)=CC(C(=O)[O-])=C1F	REAL300000475594	1	39	-2.0	-104.54	356.87	5.07	-99.47
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=NN2C)C=C1	REAL300000475595	1	39	-2.0	-90.31	347.09	5.19	-85.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)=CC(C(=O)[O-])=C1C	REAL300000475596	1	42	-2.0	-107.49	364.53	5.48	-102.01
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000475597	0	36	-2.0	-90.00	343.43	4.55	-85.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)C(C)=C1C(=O)[O-]	REAL300000475598	1	42	-2.0	-105.34	364.98	5.82	-99.52
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)C=C1C(=O)[O-]	REAL300000475599	0	39	-2.0	-98.51	353.19	5.02	-93.49
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)=C1	REAL300000475600	0	39	-2.0	-106.32	356.71	5.11	-101.21
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)C=C1C(=O)[O-]	REAL300000475601	1	42	-2.0	-102.40	365.70	5.61	-96.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)C=C1C(=O)[O-]	REAL300000475602	0	40	-2.0	-104.45	360.06	4.64	-99.81
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)=CC=C1C(=O)[O-]	REAL300000475603	1	39	-2.0	-93.50	347.64	4.96	-88.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=NN2C)C=C1	REAL300000475604	1	39	-2.0	-99.65	351.63	5.23	-94.42
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000475605	0	36	-2.0	-108.39	335.65	4.44	-103.95
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)C=C1C(=O)[O-]	REAL300000475606	1	39	-2.0	-98.41	356.85	5.09	-93.32
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000475607	0	35	-2.0	-98.89	327.89	2.55	-96.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=NN2C)C=C1	REAL300000475608	0	40	-2.0	-97.32	360.24	4.22	-93.10
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000475609	0	33	-2.0	-93.83	332.19	3.40	-90.43
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000475610	1	43	-2.0	-95.70	377.80	6.31	-89.39
CN1N=NN=C1C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000475611	1	43	-2.0	-97.47	377.48	6.32	-91.15
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=NN3C)C=C2)C=C(C(=O)[O-])O1	REAL300000475612	0	39	-2.0	-100.15	354.16	4.41	-95.74
CC(C)(C)C(=O)NCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000475613	0	47	-2.0	-100.52	411.94	2.79	-97.73
CC(C)(C)C(=O)NCCCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000475614	0	47	-2.0	-112.30	411.95	2.78	-109.52
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CCCNC(=O)C(C)(C)C)C=C1C(=O)[O-]	REAL300000475615	0	50	-2.0	-113.39	428.00	3.32	-110.07
CC(C)(C)C(=O)NCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000475616	0	44	-2.0	-106.90	405.14	1.81	-105.09
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)CCCNC(=O)C(C)(C)C	REAL300000475617	0	50	-2.0	-111.82	427.39	3.55	-108.27
CN1C=C(S(=O)(=O)[N-]NC(=O)CCCNC(=O)C(C)(C)C)C=C1C(=O)[O-]	REAL300000475618	0	48	-2.0	-111.18	418.61	2.14	-109.04
CC(C)(C)C(=O)NCCCC(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000475619	0	44	-2.0	-108.31	403.61	1.83	-106.48
CC1=C(S(=O)(=O)[N-]NC(=O)CCCNC(=O)C(C)(C)C)C=C(C(=O)[O-])O1	REAL300000475620	0	47	-2.0	-105.86	414.96	1.93	-103.93
CC(C)(C)C(=O)NCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000475621	0	44	-2.0	-102.05	404.23	1.91	-100.14
CC(C)(C)C(=O)NCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000475622	0	50	-2.0	-102.95	434.12	3.57	-99.38
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)CCCNC(=O)C(C)(C)C	REAL300000475623	0	50	-2.0	-109.68	421.50	3.39	-106.29
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)CCCNC(=O)C(C)(C)C	REAL300000475624	0	50	-2.0	-100.73	426.95	3.50	-97.23
CC1=CC(S(=O)(=O)[N-]NC(=O)CCCNC(=O)C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000475625	0	50	-2.0	-100.66	427.96	3.33	-97.33
CC(C)(C)C(=O)NCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000475626	0	46	-2.0	-108.15	408.94	0.84	-107.31
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=CC=C1F	REAL300000475627	0	31	-2.0	-113.37	324.95	2.64	-110.73
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=CC=C1F	REAL300000475627	1	30	-3.0	-219.29	322.61	1.78	-217.51
O=C([O-])C1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)C=C1	REAL300000475628	0	31	-2.0	-99.31	320.57	1.51	-97.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C1	REAL300000475628	1	31	-2.0	-103.45	320.37	2.62	-100.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475629	0	31	-2.0	-115.89	320.41	2.61	-113.28
O=C([O-])C1=CC=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475629	1	31	-2.0	-105.72	320.60	1.50	-104.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(Cl)=N1	REAL300000475630	0	35	-2.0	-120.35	348.54	2.43	-117.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(Cl)=N1	REAL300000475630	1	34	-3.0	-230.26	346.22	1.57	-228.69
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C1	REAL300000475631	0	35	-2.0	-102.70	351.84	3.91	-98.79
O=C([O-])C=CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)C=C1	REAL300000475631	1	35	-2.0	-98.27	352.04	2.80	-95.47
CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475632	0	34	-2.0	-106.43	336.63	2.04	-104.39
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475632	1	34	-2.0	-117.06	336.44	3.15	-113.91
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475633	0	31	-2.0	-110.65	333.47	3.17	-107.48
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475633	1	30	-3.0	-216.63	331.15	2.30	-214.33
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=CC=C1Cl	REAL300000475634	0	31	-2.0	-111.74	332.92	3.01	-108.73
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=CC=C1Cl	REAL300000475634	1	30	-3.0	-219.02	330.59	2.15	-216.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)=C1C	REAL300000475635	0	37	-2.0	-112.68	353.55	2.81	-109.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1C	REAL300000475635	1	37	-2.0	-117.48	353.06	3.88	-113.60
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475636	0	31	-2.0	-112.26	325.87	2.68	-109.58
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475636	1	30	-3.0	-221.09	323.56	1.82	-219.27
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C1	REAL300000475637	0	37	-2.0	-101.81	363.96	4.20	-97.61
O=C([O-])CCC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)C=C1	REAL300000475637	1	37	-2.0	-96.27	364.16	3.09	-93.18
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475638	0	28	-2.0	-109.88	313.58	1.64	-108.24
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475638	1	27	-3.0	-215.47	311.26	0.78	-214.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CC=CC(Cl)=N1	REAL300000475639	0	34	-2.0	-101.77	325.58	3.31	-98.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(Cl)=N1	REAL300000475639	1	34	-2.0	-115.35	335.83	3.38	-111.97
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)C=C1	REAL300000475640	0	34	-3.0	-202.41	349.15	2.04	-200.37
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475641	0	32	-2.0	-114.53	327.05	1.97	-112.56
CN1C=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475641	1	32	-2.0	-105.25	327.24	0.85	-104.40
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(Cl)=N1	REAL300000475642	0	34	-3.0	-221.89	342.29	0.55	-221.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475643	0	31	-2.0	-106.18	329.51	2.30	-103.88
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475643	1	30	-3.0	-210.53	327.20	1.44	-209.09
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475644	0	36	-3.0	-224.79	349.15	3.02	-221.77
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=CS1	REAL300000475645	0	28	-2.0	-111.52	312.04	1.65	-109.87
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=CS1	REAL300000475645	1	27	-3.0	-217.71	309.73	0.78	-216.93
COC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475646	0	35	-2.0	-120.35	347.88	1.57	-118.78
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475646	1	35	-2.0	-121.80	347.68	2.68	-119.12
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CC=CC(Cl)=N1	REAL300000475647	0	40	-2.0	-112.22	374.76	3.47	-108.75
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(Cl)=N1	REAL300000475647	1	40	-2.0	-117.57	374.29	4.58	-112.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CC=CC(Cl)=N1	REAL300000475648	0	37	-2.0	-111.80	352.16	3.10	-108.70
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(Cl)=N1	REAL300000475648	1	37	-2.0	-113.24	350.56	4.13	-109.11
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(Cl)=N1	REAL300000475649	0	38	-2.0	-119.60	370.83	3.18	-116.42
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(Cl)=N1	REAL300000475649	1	37	-3.0	-229.70	368.51	2.32	-227.38
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475650	0	33	-3.0	-192.15	348.81	3.17	-188.98
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475650	1	33	-3.0	-186.41	349.00	2.06	-184.35
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475651	0	38	-2.0	-114.31	363.50	3.42	-110.89
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475651	1	38	-2.0	-119.73	364.65	4.49	-115.24
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C(C(=O)[O-])O1	REAL300000475652	0	31	-2.0	-108.77	323.41	1.76	-107.01
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)C=C(C(=O)[O-])O1	REAL300000475652	1	30	-3.0	-211.42	321.10	0.90	-210.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475653	0	35	-2.0	-118.49	349.30	1.72	-116.77
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475653	1	34	-3.0	-230.10	346.99	0.86	-229.24
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=CC=C1OCC(=O)[O-]	REAL300000475654	0	37	-3.0	-203.39	369.24	2.75	-200.64
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(Cl)=N1	REAL300000475655	0	34	-2.0	-106.20	341.10	3.42	-102.78
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(Cl)=N1	REAL300000475655	1	33	-3.0	-210.20	338.79	2.55	-207.65
CCOC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475656	0	38	-2.0	-112.12	369.73	2.48	-109.64
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475656	1	38	-2.0	-122.53	369.54	3.59	-118.94
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C(C(=O)[O-])S1	REAL300000475657	0	31	-2.0	-111.89	329.02	2.52	-109.37
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)C=C(C(=O)[O-])S1	REAL300000475657	1	30	-3.0	-216.35	326.71	1.65	-214.70
CC1=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)C=C(C(=O)[O-])S1	REAL300000475657	1	31	-2.0	-100.04	320.22	2.26	-97.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C(Cl)=C1	REAL300000475658	0	31	-2.0	-101.02	333.44	3.16	-97.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)C(Cl)=C1	REAL300000475658	1	30	-3.0	-202.41	331.13	2.29	-200.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C1F	REAL300000475659	0	31	-2.0	-102.88	324.92	2.65	-100.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)C=C1F	REAL300000475659	1	30	-3.0	-203.59	322.60	1.79	-201.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)S1	REAL300000475660	0	28	-2.0	-104.84	312.66	1.74	-103.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)S1	REAL300000475660	1	27	-3.0	-208.22	310.35	0.88	-207.34
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475661	0	31	-2.0	-106.68	326.80	2.68	-104.00
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475661	1	30	-3.0	-213.02	324.49	1.82	-211.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1F	REAL300000475662	0	34	-2.0	-113.66	346.15	3.32	-110.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=C1F	REAL300000475662	1	33	-3.0	-223.47	343.84	2.46	-221.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C(F)=C1	REAL300000475663	0	31	-2.0	-102.92	325.88	2.69	-100.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)C(F)=C1	REAL300000475663	1	30	-3.0	-206.98	323.57	1.83	-205.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C1Cl	REAL300000475664	0	31	-2.0	-100.96	332.89	3.02	-97.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)C=C1Cl	REAL300000475664	1	30	-3.0	-202.72	330.57	2.16	-200.56
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=CC(F)=C1F	REAL300000475665	0	31	-2.0	-104.87	331.22	2.71	-102.16
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=CC(F)=C1F	REAL300000475665	1	30	-3.0	-208.07	328.90	1.85	-206.22
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475666	0	32	-2.0	-113.68	330.11	0.34	-113.34
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C1	REAL300000475667	0	34	-2.0	-106.20	342.56	3.40	-102.80
O=C([O-])CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)C=C1	REAL300000475667	1	34	-2.0	-99.53	342.76	2.29	-97.24
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[N-]C(=O)C1=CC=CC(Cl)=N1	REAL300000475668	0	34	-2.0	-109.94	320.38	3.18	-106.76
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(Cl)=N1	REAL300000475668	1	34	-2.0	-113.03	329.94	3.22	-109.81
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=CC(C(=O)[O-])=C1F	REAL300000475669	0	34	-2.0	-114.72	345.25	3.27	-111.45
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=CC(C(=O)[O-])=C1F	REAL300000475669	1	33	-3.0	-221.47	342.93	2.41	-219.06
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[N-]C(=O)C1=CC=CC(Cl)=N1	REAL300000475670	0	34	-2.0	-97.36	325.55	3.29	-94.07
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(Cl)=N1	REAL300000475670	1	34	-2.0	-103.21	335.81	3.38	-99.83
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)=CC(C(=O)[O-])=C1C	REAL300000475671	0	37	-2.0	-109.53	358.09	2.70	-106.83
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=CC(C(=O)[O-])=C1C	REAL300000475671	1	37	-2.0	-120.33	357.89	3.81	-116.52
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475672	0	31	-2.0	-104.10	332.15	2.74	-101.36
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475672	1	30	-3.0	-210.74	329.84	1.88	-208.86
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)C(C)=C1C(=O)[O-]	REAL300000475673	0	36	-3.0	-227.39	351.47	3.08	-224.31
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475674	0	34	-2.0	-113.40	341.87	3.21	-110.19
CC1=CC(F)=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475674	1	33	-3.0	-223.43	339.56	2.35	-221.08
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475675	0	34	-2.0	-121.90	345.41	3.31	-118.59
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475675	1	33	-3.0	-234.19	343.12	2.45	-231.74
CCC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475676	0	37	-2.0	-106.72	354.87	2.69	-104.03
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475676	1	37	-2.0	-117.76	354.68	3.80	-113.96
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)C=C1CC(=O)[O-]	REAL300000475677	0	37	-3.0	-223.99	368.55	1.89	-222.10
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475678	0	35	-2.0	-115.80	348.42	2.84	-112.96
CCN1C=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475678	1	35	-2.0	-106.34	348.62	1.72	-104.62
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(Cl)=N2)=CC=C1C(=O)[O-]	REAL300000475679	0	34	-2.0	-99.44	336.60	2.05	-97.39
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=CC=C1C(=O)[O-]	REAL300000475679	1	34	-2.0	-103.57	336.40	3.16	-100.41
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(Cl)=N1	REAL300000475680	0	34	-2.0	-112.69	340.35	3.42	-109.27
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CC=CC(Cl)=N1	REAL300000475680	1	34	-2.0	-100.02	330.09	3.34	-96.68
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(Cl)=N1	REAL300000475680	1	33	-3.0	-216.18	338.04	2.55	-213.63
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=CC=C1	REAL300000475681	0	31	-2.0	-121.15	324.01	2.64	-118.51
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=CC=C1	REAL300000475681	1	30	-3.0	-232.70	321.74	1.79	-230.91
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475682	0	34	-2.0	-108.62	345.33	3.29	-105.33
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)C=C1C(=O)[O-]	REAL300000475682	1	33	-3.0	-216.36	343.02	2.43	-213.93
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475683	0	30	-2.0	-113.45	316.62	0.75	-112.70
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=C1	REAL300000475683	1	29	-3.0	-222.73	314.30	-0.12	-222.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(Cl)=N1	REAL300000475684	0	35	-2.0	-107.61	348.60	2.42	-105.19
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(Cl)=N1	REAL300000475684	1	34	-3.0	-212.56	346.29	1.56	-211.00
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)=C(Cl)O1	REAL300000475685	0	28	-2.0	-102.95	320.54	1.59	-101.36
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)=C(Cl)O1	REAL300000475685	1	27	-3.0	-204.53	318.23	0.72	-203.81
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3=CC=CC(Cl)=N3)C=C2)CC1	REAL300000475686	0	38	-2.0	-109.45	366.52	4.50	-104.95
O=C([O-])C1(C2=CC=C(S(=O)(=O)N[N-]C(=O)C3=CC=CC(Cl)=N3)C=C2)CC1	REAL300000475686	1	38	-2.0	-102.65	364.57	3.33	-99.32
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)C3=CC=CC(Cl)=N3)C=C2C1	REAL300000475687	0	38	-2.0	-114.78	365.85	4.50	-110.28
O=C([O-])C1CC2=CC=C(S(=O)(=O)N[N-]C(=O)C3=CC=CC(Cl)=N3)C=C2C1	REAL300000475687	1	38	-2.0	-108.34	366.03	3.40	-104.94
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(Cl)=N2)C=C(C(=O)[O-])O1	REAL300000475688	0	34	-2.0	-108.39	342.55	2.54	-105.85
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(Cl)=N2)C=C(C(=O)[O-])O1	REAL300000475688	1	33	-3.0	-210.70	340.24	1.68	-209.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=CC=C1F	REAL300000475689	1	34	-2.0	-100.51	320.89	3.06	-97.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=CC=C1	REAL300000475691	1	34	-2.0	-102.58	316.36	3.03	-99.55
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)OCC2=C1	REAL300000475692	0	38	-2.0	-108.23	344.50	2.82	-105.41
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C1	REAL300000475693	1	38	-2.0	-91.07	347.81	4.32	-86.75
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C1	REAL300000475695	0	34	-2.0	-98.78	329.43	3.60	-95.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=CC=C1Cl	REAL300000475696	1	34	-2.0	-98.71	328.87	3.42	-95.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C1C	REAL300000475697	1	40	-2.0	-106.23	349.03	4.37	-101.86
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C1	REAL300000475698	0	34	-2.0	-100.16	321.84	3.09	-97.07
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C1	REAL300000475699	1	40	-2.0	-90.22	359.95	4.62	-85.60
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C1	REAL300000475700	0	31	-2.0	-97.41	309.55	2.04	-95.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)OCC2=C1	REAL300000475701	1	37	-2.0	-104.22	331.79	3.81	-100.41
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C1C(=O)[O-]	REAL300000475703	1	35	-2.0	-101.28	323.01	2.37	-98.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C1	REAL300000475705	0	34	-2.0	-93.95	325.47	2.71	-91.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=CS1	REAL300000475707	0	31	-2.0	-98.70	308.01	2.06	-96.64
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)OCC2=C1	REAL300000475709	1	43	-2.0	-106.07	370.26	5.04	-101.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)OCC2=C1	REAL300000475710	1	40	-2.0	-102.84	346.53	4.75	-98.09
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)OCC2=C1	REAL300000475711	0	41	-2.0	-107.85	366.79	3.59	-104.26
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3NC(=O)OCC3=C2)=CC(C(=O)[O-])=C1	REAL300000475712	0	37	-2.0	-112.17	347.20	3.60	-108.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=CC(C(=O)[O-])=C1	REAL300000475712	1	36	-3.0	-176.32	344.76	3.59	-172.73
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C1	REAL300000475713	1	41	-2.0	-108.00	360.60	4.92	-103.08
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C(C(=O)[O-])O1	REAL300000475714	0	34	-2.0	-97.70	319.37	2.16	-95.54
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C1	REAL300000475715	0	38	-2.0	-104.05	345.34	2.12	-101.93
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)OCC2=C1	REAL300000475717	1	37	-2.0	-95.09	337.07	3.84	-91.25
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C1F	REAL300000475718	1	38	-2.0	-89.46	353.66	3.38	-86.08
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C(C(=O)[O-])S1	REAL300000475720	1	34	-2.0	-100.89	324.96	2.92	-97.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C(Cl)=C1	REAL300000475721	0	34	-2.0	-88.91	329.44	3.58	-85.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C1F	REAL300000475722	1	34	-2.0	-90.97	320.88	3.07	-87.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)S1	REAL300000475723	0	31	-2.0	-92.89	308.63	2.16	-90.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=CC(F)=C1	REAL300000475724	1	34	-2.0	-93.91	322.76	3.09	-90.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C1F	REAL300000475725	0	37	-2.0	-101.44	342.11	3.72	-97.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C(F)=C1	REAL300000475726	0	34	-2.0	-90.47	321.85	3.09	-87.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C1Cl	REAL300000475727	1	34	-2.0	-88.90	328.86	3.43	-85.47
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)OCC2=C1	REAL300000475728	1	37	-2.0	-96.75	345.81	4.23	-92.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=CC(F)=C1F	REAL300000475729	1	34	-2.0	-92.82	327.18	3.12	-89.70
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C1	REAL300000475730	1	36	-2.0	-88.36	344.56	3.70	-84.66
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C1	REAL300000475731	0	35	-2.0	-103.39	326.07	0.74	-102.65
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3NC(=O)OCC3=C2)=C1	REAL300000475731	1	35	-2.0	-103.27	325.25	1.53	-101.74
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C1	REAL300000475732	1	37	-2.0	-94.64	338.55	3.81	-90.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)OCC2=C1	REAL300000475733	1	37	-2.0	-99.02	326.43	3.67	-95.35
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=CC(C(=O)[O-])=C1F	REAL300000475734	1	37	-2.0	-101.77	341.19	3.68	-98.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000475737	0	36	-2.0	-101.77	342.91	4.13	-97.64
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C1	REAL300000475738	0	34	-2.0	-92.02	328.11	3.15	-88.87
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C1C(=O)[O-]	REAL300000475740	0	37	-2.0	-101.08	337.84	3.63	-97.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C1Cl	REAL300000475741	0	37	-2.0	-100.47	348.14	4.16	-96.31
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C1	REAL300000475742	0	37	-2.0	-107.19	341.37	3.72	-103.47
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C1C(=O)[O-]	REAL300000475743	1	40	-2.0	-104.25	350.30	4.21	-100.04
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)OCC2=C1	REAL300000475745	1	37	-2.0	-92.60	342.62	4.21	-88.39
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000475746	1	37	-2.0	-100.39	347.58	3.99	-96.40
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C1C(=O)[O-]	REAL300000475747	1	38	-2.0	-102.45	344.38	3.24	-99.21
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C1C(=O)[O-]	REAL300000475748	1	37	-2.0	-97.67	350.10	4.10	-93.57
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=CC=C1	REAL300000475751	0	36	-2.0	-109.61	340.11	4.89	-104.72
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=CC=C1	REAL300000475752	0	34	-2.0	-106.53	320.02	3.06	-103.47
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C1C(=O)[O-]	REAL300000475753	1	37	-2.0	-95.92	341.30	3.71	-92.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=CC2=CC=CC=C21	REAL300000475754	1	40	-2.0	-111.03	357.40	5.15	-105.88
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C1	REAL300000475755	0	33	-2.0	-100.30	312.58	1.15	-99.15
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)OCC2=C1	REAL300000475756	0	38	-2.0	-95.22	344.56	2.82	-92.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)=C(Cl)O1	REAL300000475757	0	31	-2.0	-91.54	316.51	2.00	-89.54
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4NC(=O)OCC4=C3)C=C2)CC1	REAL300000475758	1	41	-2.0	-97.60	362.48	4.92	-92.68
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4NC(=O)OCC4=C3)C=C2C1	REAL300000475759	1	41	-2.0	-99.76	361.83	4.91	-94.85
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)OCC3=C2)C=C(C(=O)[O-])O1	REAL300000475760	0	37	-2.0	-97.67	338.49	3.01	-94.66
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1	REAL300000475761	0	40	-2.0	-94.70	358.01	3.44	-91.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC=C1F	REAL300000475762	0	33	-2.0	-111.64	306.10	4.85	-106.79
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC2	REAL300000475763	0	41	-2.0	-112.25	361.19	5.91	-106.34
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475764	0	33	-2.0	-108.37	317.99	5.54	-102.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1	REAL300000475765	0	33	-2.0	-101.62	301.53	4.86	-96.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475766	0	33	-2.0	-114.51	301.55	4.85	-109.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC2	REAL300000475767	0	37	-2.0	-119.53	329.71	4.62	-114.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC=C1Br	REAL300000475768	0	33	-2.0	-109.87	317.82	5.31	-104.56
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1	REAL300000475769	0	37	-2.0	-100.81	333.00	6.14	-94.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1C(=O)[O-]	REAL300000475770	0	36	-2.0	-116.11	317.57	5.38	-110.73
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475771	0	33	-2.0	-109.28	314.64	5.40	-103.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC=C1Cl	REAL300000475772	0	33	-2.0	-110.23	314.08	5.21	-105.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C(Cl)C=C1Cl	REAL300000475773	0	33	-2.0	-104.80	327.13	5.78	-99.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1C	REAL300000475774	0	39	-2.0	-116.42	334.65	6.19	-110.23
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475775	0	33	-2.0	-111.52	307.05	4.88	-106.64
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1	REAL300000475776	0	39	-2.0	-100.15	345.13	6.43	-93.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475777	0	30	-2.0	-108.61	294.74	3.86	-104.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC2	REAL300000475778	0	36	-2.0	-114.45	316.99	5.63	-108.82
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1	REAL300000475779	0	37	-2.0	-99.52	332.62	5.13	-94.39
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1C(=O)[O-]	REAL300000475780	0	34	-2.0	-112.83	308.20	4.20	-108.63
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC2	REAL300000475781	0	37	-2.0	-115.00	325.33	3.69	-111.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475782	0	33	-2.0	-104.84	310.66	4.53	-100.31
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1C(=O)[O-]	REAL300000475783	0	39	-2.0	-117.20	337.00	6.28	-110.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CS1	REAL300000475784	0	30	-2.0	-109.99	293.20	3.89	-106.10
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC(C(=O)[O-])=C1OC	REAL300000475785	0	41	-2.0	-115.01	359.90	4.63	-110.38
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1C(=O)[O-]	REAL300000475786	0	37	-2.0	-120.39	328.84	4.92	-115.47
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475787	0	43	-2.0	-118.75	356.78	7.48	-111.27
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC2	REAL300000475788	0	42	-2.0	-116.80	355.47	6.83	-109.97
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC2	REAL300000475789	0	39	-2.0	-112.12	331.68	6.58	-105.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC2	REAL300000475790	0	40	-2.0	-120.88	352.00	5.38	-115.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC(C(=O)[O-])=C1	REAL300000475791	0	35	-3.0	-191.63	329.97	5.38	-186.25
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2OCC3)=CC(C(=O)[O-])=C1	REAL300000475791	1	36	-2.0	-110.62	330.29	5.31	-105.31
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475792	0	40	-2.0	-119.18	345.80	6.74	-112.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C(C(=O)[O-])O1	REAL300000475793	0	33	-2.0	-107.54	304.58	3.96	-103.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC2=C1OCCO2	REAL300000475794	0	39	-2.0	-119.76	343.73	4.62	-115.14
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475795	0	37	-2.0	-115.75	330.54	3.94	-111.81
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OCC4)C=C2C1	REAL300000475796	0	41	-2.0	-100.33	354.47	5.45	-94.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC(Cl)=C1Cl	REAL300000475797	0	33	-2.0	-103.82	329.24	5.67	-98.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C(Cl)C=C1F	REAL300000475798	0	33	-2.0	-105.62	319.16	5.41	-100.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1Cl	REAL300000475799	0	37	-2.0	-97.96	348.66	5.67	-92.29
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC=C1OCC(=O)[O-]	REAL300000475800	0	40	-2.0	-100.09	352.71	5.84	-94.25
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1F	REAL300000475801	0	43	-2.0	-98.29	381.30	6.10	-92.19
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC2	REAL300000475802	0	36	-2.0	-104.93	322.26	5.67	-99.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC=C1OCCCC(=O)[O-]	REAL300000475803	0	46	-2.0	-99.90	395.16	6.77	-93.13
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1F	REAL300000475804	0	37	-2.0	-98.82	338.86	5.20	-93.62
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1C(=O)[O-]	REAL300000475805	0	40	-2.0	-121.41	350.70	5.82	-115.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C(C(=O)[O-])S1	REAL300000475806	0	33	-2.0	-110.85	310.19	4.71	-106.14
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475807	0	33	-2.0	-102.99	329.78	5.87	-97.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C(Cl)=C1	REAL300000475808	0	33	-2.0	-98.82	314.60	5.42	-93.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C(Br)=C1	REAL300000475809	0	33	-2.0	-98.09	317.95	5.56	-92.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1F	REAL300000475810	0	33	-2.0	-100.93	306.09	4.89	-96.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)S1	REAL300000475811	0	30	-2.0	-103.49	293.81	3.98	-99.51
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475812	0	33	-2.0	-105.30	307.97	4.92	-100.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1F	REAL300000475813	0	36	-2.0	-113.13	327.30	5.54	-107.59
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C(Cl)C=C1C(=O)[O-]	REAL300000475814	0	37	-2.0	-103.50	341.86	5.48	-98.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C(F)=C1	REAL300000475815	0	33	-2.0	-101.28	307.02	4.92	-96.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1Cl	REAL300000475816	0	33	-2.0	-99.06	314.06	5.25	-93.81
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC2	REAL300000475817	0	36	-2.0	-106.60	331.00	6.05	-100.55
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1	REAL300000475818	0	41	-2.0	-97.42	365.29	6.26	-91.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1Br	REAL300000475819	0	33	-2.0	-98.70	317.79	5.35	-93.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC(F)=C1F	REAL300000475820	0	33	-2.0	-102.97	312.39	4.91	-98.06
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475821	0	35	-2.0	-99.08	329.76	5.49	-93.59
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475822	0	34	-2.0	-113.05	311.27	2.56	-110.49
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1	REAL300000475823	0	36	-2.0	-105.15	323.73	5.62	-99.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC(Cl)=C1F	REAL300000475824	0	33	-2.0	-104.52	322.28	5.35	-99.17
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC2	REAL300000475825	0	36	-2.0	-111.07	311.59	5.50	-105.57
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC(C(=O)[O-])=C1F	REAL300000475826	0	36	-2.0	-113.32	326.40	5.50	-107.82
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC2	REAL300000475827	0	36	-2.0	-101.34	316.96	5.63	-95.71
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC(C(=O)[O-])=C1C	REAL300000475828	0	39	-2.0	-118.22	334.43	5.92	-112.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC=C1[N+](=O)[O-]	REAL300000475829	0	35	-2.0	-112.37	328.13	5.95	-106.42
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475830	0	33	-2.0	-103.12	313.29	4.98	-98.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C(C)=C1C(=O)[O-]	REAL300000475831	0	39	-2.0	-115.61	335.08	6.26	-109.35
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1C(=O)[O-]	REAL300000475832	0	36	-2.0	-113.95	326.87	5.55	-108.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1Cl	REAL300000475833	0	36	-2.0	-111.20	333.33	5.99	-105.21
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475834	0	36	-2.0	-120.43	326.60	5.54	-114.89
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1C(=O)[O-]	REAL300000475835	0	39	-2.0	-116.96	335.52	6.04	-110.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1CC(=O)[O-]	REAL300000475836	0	40	-2.0	-117.50	352.03	4.98	-112.52
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC2	REAL300000475837	0	36	-2.0	-104.08	327.81	6.03	-98.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1C(F)(F)F	REAL300000475838	0	36	-2.0	-97.97	331.68	5.66	-92.31
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC(C(=O)[O-])=C1Cl	REAL300000475839	0	36	-2.0	-112.37	332.79	5.81	-106.56
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475840	0	33	-2.0	-107.33	322.85	5.46	-101.87
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1C(=O)[O-]	REAL300000475841	0	37	-2.0	-114.20	329.58	5.07	-109.13
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C(C)=C1CC(=O)[O-]	REAL300000475842	0	45	-2.0	-115.77	366.70	7.72	-108.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C(F)C(Cl)=C1F	REAL300000475843	0	33	-2.0	-101.53	327.17	5.41	-96.12
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1C(=O)[O-]	REAL300000475844	0	36	-2.0	-107.88	331.43	5.82	-102.06
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C(C(=O)[O-])S1	REAL300000475845	0	42	-2.0	-110.00	350.99	6.98	-103.02
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1C(=O)[O-]	REAL300000475846	0	37	-2.0	-114.82	341.89	5.45	-109.37
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC=C1C(=O)[O-]	REAL300000475847	0	36	-2.0	-103.36	321.62	5.50	-97.86
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C([N+](=O)[O-])=C1	REAL300000475848	0	38	-2.0	-106.00	344.81	7.05	-98.95
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC2	REAL300000475849	0	36	-2.0	-111.44	321.52	5.63	-105.81
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1[N+](=O)[O-]	REAL300000475850	0	35	-2.0	-122.53	325.29	6.71	-115.82
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1F	REAL300000475851	0	33	-2.0	-119.55	305.19	4.87	-114.68
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C1C(=O)[O-]	REAL300000475852	0	36	-2.0	-107.06	326.51	5.53	-101.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=CC2=CC=CC=C21	REAL300000475853	0	39	-2.0	-123.20	342.58	6.98	-116.22
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C1	REAL300000475854	0	32	-2.0	-112.63	297.77	2.97	-109.66
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCC2	REAL300000475855	0	37	-2.0	-105.94	329.75	4.64	-101.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)=C(Cl)O1	REAL300000475856	0	30	-2.0	-101.52	301.67	3.79	-97.73
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OCC4)C=C2)CC1	REAL300000475857	0	40	-2.0	-108.02	347.68	6.74	-101.28
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OCC4)C=C2C1	REAL300000475858	0	40	-2.0	-112.15	345.64	6.71	-105.44
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCC3)C=C(C(=O)[O-])O1	REAL300000475859	0	36	-2.0	-107.10	323.67	4.84	-102.26
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C(C(C)(C)C)S1	REAL300000475860	0	43	-2.0	-103.45	390.51	7.39	-96.06
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C(C(C)(C)C)S1	REAL300000475861	0	43	-2.0	-115.86	390.56	7.38	-108.48
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C(C(C)(C)C)S1	REAL300000475862	0	42	-2.0	-114.27	386.76	5.51	-108.76
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000475863	0	36	-2.0	-82.95	338.25	-1.13	-84.08
COC1=NNC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000475864	0	29	-2.0	-97.75	286.31	0.30	-97.45
COC1=NNC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000475865	0	37	-2.0	-98.88	341.38	1.38	-97.50
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=C1	REAL300000475866	0	29	-2.0	-94.71	298.19	1.00	-93.71
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000475867	0	33	-2.0	-104.03	309.91	0.09	-103.94
COC1=NNC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000475868	0	29	-2.0	-95.27	298.02	0.77	-94.50
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000475869	0	33	-2.0	-88.51	313.24	1.57	-86.94
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000475870	0	32	-2.0	-100.43	297.78	0.81	-99.62
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000475871	0	29	-2.0	-95.15	294.84	0.84	-94.31
COC1=NNC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000475872	0	29	-2.0	-95.76	294.29	0.67	-95.09
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000475873	0	29	-2.0	-91.02	307.33	1.23	-89.79
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000475874	0	35	-2.0	-102.05	313.76	1.62	-100.43
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000475875	0	29	-2.0	-96.15	287.24	0.34	-95.81
COC1=NNC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000475876	0	35	-2.0	-87.44	325.35	1.87	-85.57
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000475877	0	26	-2.0	-94.13	274.96	-0.70	-94.83
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000475878	0	32	-2.0	-100.16	297.20	1.06	-99.10
COC1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000475879	0	33	-2.0	-87.25	312.86	0.56	-86.69
COC1=NNC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=C1	REAL300000475880	0	40	-2.0	-83.88	358.62	1.35	-82.53
COC1=NNC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=C1	REAL300000475881	0	26	-2.0	-91.16	291.98	0.07	-91.09
COC1=NNC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000475882	0	30	-2.0	-98.19	288.42	-0.38	-98.57
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000475883	0	33	-2.0	-100.93	305.55	-0.89	-101.82
COC1=NNC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)=C1	REAL300000475884	0	29	-2.0	-95.90	306.69	0.91	-94.99
COC1=NNC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000475885	0	29	-2.0	-90.38	290.88	-0.05	-90.43
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000475886	0	35	-2.0	-101.11	313.23	1.60	-99.51
COC1=NNC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000475887	0	26	-2.0	-95.77	273.42	-0.69	-96.46
COC1=NNC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000475888	0	37	-2.0	-100.05	340.09	0.09	-99.96
COC1=NNC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000475889	0	33	-2.0	-105.43	309.07	0.35	-105.08
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000475890	0	39	-2.0	-103.34	337.00	2.92	-100.42
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000475891	0	38	-2.0	-101.99	335.67	2.30	-99.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=NN1	REAL300000475892	0	35	-2.0	-98.83	311.89	2.00	-96.83
COC1=NNC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000475893	0	36	-2.0	-103.64	332.20	0.84	-102.80
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000475894	0	31	-3.0	-171.50	310.17	0.84	-170.66
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000475895	0	36	-2.0	-103.63	326.02	2.17	-101.46
COC1=NNC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000475896	0	29	-2.0	-93.76	284.77	-0.58	-94.34
COC1=NNC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000475897	0	35	-2.0	-104.24	323.93	0.05	-104.19
COC1=NNC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000475898	0	33	-2.0	-101.17	310.68	-0.62	-101.79
COC1=NNC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000475899	0	37	-2.0	-87.41	334.68	0.88	-86.53
COC1=NNC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000475900	0	29	-2.0	-89.75	309.44	1.13	-88.62
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000475901	0	29	-2.0	-92.42	299.36	0.87	-91.55
COC1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000475902	0	33	-2.0	-86.04	328.88	1.10	-84.94
COC1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000475903	0	36	-2.0	-87.54	332.93	1.26	-86.28
COC1=NNC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000475904	0	39	-2.0	-87.20	361.52	1.53	-85.67
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000475905	0	32	-2.0	-91.55	302.07	1.13	-90.42
COC1=NNC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1	REAL300000475906	0	42	-2.0	-87.95	375.38	2.20	-85.75
COC1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000475907	0	33	-2.0	-87.14	319.07	0.63	-86.51
COC1=NNC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)=C1	REAL300000475908	0	39	-2.0	-86.81	371.32	2.02	-84.79
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=NN2)C=C1C(=O)[O-]	REAL300000475909	0	36	-2.0	-106.05	330.92	1.26	-104.79
COC1=NNC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000475910	0	29	-2.0	-96.84	291.46	0.16	-96.68
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000475911	0	29	-2.0	-89.23	310.00	1.30	-87.93
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000475912	0	29	-2.0	-86.00	294.82	0.84	-85.16
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=C1	REAL300000475913	0	29	-2.0	-85.80	298.17	0.99	-84.81
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000475914	0	29	-2.0	-88.01	286.28	0.32	-87.69
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000475915	0	26	-2.0	-89.39	274.03	-0.60	-89.99
COC1=NNC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000475916	0	29	-2.0	-90.87	288.18	0.35	-90.52
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000475917	0	32	-2.0	-97.27	307.53	0.98	-96.29
COC1=NNC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000475918	0	33	-2.0	-90.77	322.07	0.91	-89.86
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000475919	0	29	-2.0	-87.22	287.23	0.35	-86.87
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000475920	0	29	-2.0	-85.87	294.25	0.68	-85.19
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000475921	0	32	-2.0	-93.03	310.80	1.52	-91.51
COC1=NNC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)=C1	REAL300000475922	0	32	-2.0	-90.19	312.60	1.57	-88.62
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000475923	0	37	-2.0	-85.73	345.52	1.69	-84.04
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000475924	0	29	-2.0	-85.43	297.99	0.78	-84.65
COC1=NNC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000475925	0	29	-2.0	-89.71	292.59	0.37	-89.34
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000475926	0	31	-2.0	-85.49	309.96	0.95	-84.54
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000475927	0	30	-2.0	-98.81	291.48	-1.99	-100.80
COC1=NNC([N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000475928	0	32	-2.0	-93.43	315.65	1.33	-92.10
COC1=NNC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000475929	0	32	-2.0	-91.11	303.95	1.06	-90.05
COC1=NNC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000475930	0	29	-2.0	-90.96	302.47	0.81	-90.15
COC1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000475931	0	32	-2.0	-96.41	291.81	0.92	-95.49
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300000475932	0	32	-2.0	-93.50	314.83	1.60	-91.90
COC1=NNC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000475933	0	32	-2.0	-98.73	306.60	0.93	-97.80
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000475934	0	32	-2.0	-88.52	297.18	1.05	-87.47
COC1=NNC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000475935	0	35	-2.0	-102.02	315.23	1.36	-100.66
COC1=NNC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000475936	0	31	-2.0	-99.26	308.35	1.37	-97.89
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000475937	0	29	-2.0	-88.31	293.50	0.41	-87.90
COC1=NNC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=C1	REAL300000475938	0	26	-2.0	-87.14	294.35	-0.03	-87.17
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000475939	0	35	-2.0	-100.83	315.30	1.69	-99.14
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000475940	0	32	-2.0	-98.16	307.09	0.98	-97.18
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000475941	0	32	-2.0	-96.63	313.53	1.41	-95.22
COC1=NNC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000475942	0	32	-2.0	-104.29	306.80	0.97	-103.32
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=NN2)C=C1C(=O)[O-]	REAL300000475943	0	35	-2.0	-101.03	316.09	1.46	-99.57
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)=C1	REAL300000475944	0	29	-2.0	-92.09	302.70	1.03	-91.06
COC1=NNC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000475945	0	36	-2.0	-101.11	332.24	0.41	-100.70
COC1=NNC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000475946	0	32	-2.0	-89.84	308.03	1.46	-88.38
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000475947	0	32	-2.0	-85.15	311.88	1.09	-84.06
COC1=NNC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000475948	0	32	-2.0	-97.28	312.99	1.23	-96.05
COC1=NNC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000475949	0	29	-2.0	-92.56	303.06	0.89	-91.67
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Br)=C1	REAL300000475950	0	32	-2.0	-96.39	316.34	1.55	-94.84
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=NN2)C=C1C(=O)[O-]	REAL300000475951	0	33	-2.0	-99.31	309.72	0.49	-98.82
COC1=NNC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000475952	0	41	-2.0	-100.88	346.92	3.16	-97.72
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)=C1	REAL300000475953	0	29	-2.0	-87.65	303.88	1.04	-86.61
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000475954	0	29	-2.0	-87.44	307.37	0.84	-86.60
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=C1	REAL300000475955	0	33	-2.0	-87.32	326.47	0.58	-86.74
COC1=NNC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000475956	0	32	-2.0	-92.87	311.63	1.25	-91.62
COC1=NNC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000475957	0	38	-2.0	-97.15	331.64	2.34	-94.81
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000475958	0	33	-2.0	-100.72	322.09	0.91	-99.81
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000475959	0	32	-2.0	-88.14	297.77	0.82	-87.32
COC1=NNC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000475960	0	34	-2.0	-92.54	322.49	2.45	-90.09
COC1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000475961	0	32	-2.0	-98.37	301.30	1.12	-97.25
COC1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000475962	0	31	-2.0	-107.38	305.52	2.14	-105.24
COC1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000475963	0	29	-2.0	-104.06	285.40	0.29	-103.77
COC1=NNC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000475964	0	32	-2.0	-91.44	302.93	0.85	-90.59
COC1=NNC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000475965	0	35	-2.0	-107.34	322.81	2.40	-104.94
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000475966	0	33	-2.0	-91.96	309.97	0.08	-91.88
COC1=NNC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000475967	0	26	-2.0	-87.95	281.87	-0.76	-88.71
COC1=NNC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000475968	0	33	-2.0	-95.34	325.56	0.83	-94.51
COC1=NNC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=C1	REAL300000475969	0	32	-2.0	-91.07	325.11	-2.68	-93.75
COC1=NNC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000475970	0	36	-2.0	-94.42	326.36	2.12	-92.30
COC1=NNC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000475971	0	36	-2.0	-97.35	325.85	2.15	-95.20
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=NN2)C=C(C(=O)[O-])O1	REAL300000475972	0	32	-2.0	-93.60	303.89	0.28	-93.32
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1	REAL300000475973	0	38	-2.0	-86.73	356.26	2.29	-84.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC=C1F	REAL300000475974	0	31	-2.0	-102.55	304.32	3.75	-98.80
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCF)N=C1	REAL300000475975	0	39	-2.0	-103.93	359.41	4.80	-99.13
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000475976	0	31	-2.0	-100.49	316.21	4.42	-96.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1	REAL300000475977	0	31	-2.0	-92.84	299.78	3.71	-89.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000475978	0	31	-2.0	-104.84	299.79	3.71	-101.13
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCF)N=C1	REAL300000475979	0	35	-2.0	-110.60	327.93	3.52	-107.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC=C1Br	REAL300000475980	0	31	-2.0	-100.31	316.04	4.19	-96.12
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1	REAL300000475981	0	35	-2.0	-92.57	331.25	5.01	-87.56
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1C(=O)[O-]	REAL300000475982	0	34	-2.0	-105.75	315.81	4.24	-101.51
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000475983	0	31	-2.0	-101.00	312.86	4.29	-96.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC=C1Cl	REAL300000475984	0	31	-2.0	-100.82	312.30	4.11	-96.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C(Cl)C=C1Cl	REAL300000475985	0	31	-2.0	-96.81	325.36	4.65	-92.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1C	REAL300000475986	0	37	-2.0	-108.34	332.19	5.03	-103.31
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000475987	0	31	-2.0	-102.31	305.27	3.77	-98.54
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1	REAL300000475988	0	37	-2.0	-91.63	343.37	5.30	-86.33
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000475989	0	28	-2.0	-99.10	292.97	2.74	-96.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCF)N=C1	REAL300000475990	0	34	-2.0	-106.42	315.22	4.50	-101.92
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1	REAL300000475991	0	35	-2.0	-91.23	330.87	3.99	-87.24
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CN(CCF)N=C3)C=C2)C1	REAL300000475992	0	42	-2.0	-87.79	376.62	4.77	-83.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C(Br)S1	REAL300000475993	0	28	-2.0	-96.44	310.00	3.48	-92.96
CN1C=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1C(=O)[O-]	REAL300000475994	0	32	-2.0	-103.39	306.43	3.07	-100.32
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCF)N=C1	REAL300000475995	0	35	-2.0	-107.18	323.57	2.54	-104.64
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000475996	0	31	-2.0	-95.46	308.90	3.39	-92.07
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1C(=O)[O-]	REAL300000475997	0	37	-2.0	-107.60	331.25	5.02	-102.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CS1	REAL300000475998	0	28	-2.0	-100.49	291.44	2.75	-97.74
COC1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000475999	0	39	-2.0	-105.13	358.10	3.53	-101.60
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1C(=O)[O-]	REAL300000476000	0	35	-2.0	-110.64	327.08	3.78	-106.86
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000476001	0	41	-2.0	-110.18	355.05	6.34	-103.84
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCF)N=C1	REAL300000476002	0	40	-2.0	-108.48	353.70	5.72	-102.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCF)N=C1	REAL300000476003	0	37	-2.0	-105.00	329.96	5.43	-99.57
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCF)N=C1	REAL300000476004	0	38	-2.0	-110.38	350.22	4.28	-106.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC(C(=O)[O-])=C1	REAL300000476005	0	33	-3.0	-178.19	328.21	4.28	-173.91
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000476006	0	38	-2.0	-110.45	344.04	5.61	-104.84
CC1=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C(C(=O)[O-])O1	REAL300000476007	0	31	-2.0	-99.56	302.80	2.86	-96.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC2=C1OCCO2	REAL300000476008	0	37	-2.0	-109.58	341.95	3.49	-106.09
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000476009	0	35	-2.0	-104.98	328.71	2.81	-102.17
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN(CCF)N=C3)C=C2C1	REAL300000476010	0	39	-2.0	-92.42	353.43	4.33	-88.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC(Cl)=C1Cl	REAL300000476011	0	31	-2.0	-94.72	327.47	4.56	-90.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C(Cl)C=C1F	REAL300000476012	0	31	-2.0	-97.98	317.38	4.31	-93.67
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1Cl	REAL300000476013	0	35	-2.0	-89.84	346.90	4.53	-85.31
CC1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC=C1OCC(=O)[O-]	REAL300000476014	0	38	-2.0	-91.68	350.95	4.70	-86.98
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1F	REAL300000476015	0	41	-2.0	-90.83	379.54	4.96	-85.87
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCF)N=C1	REAL300000476016	0	34	-2.0	-97.09	320.50	4.53	-92.56
CC1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000476017	0	44	-2.0	-91.90	393.39	5.63	-86.27
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1F	REAL300000476018	0	35	-2.0	-90.79	337.09	4.05	-86.74
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1C(=O)[O-]	REAL300000476019	0	38	-2.0	-111.10	348.93	4.69	-106.41
CC1=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C(C(=O)[O-])S1	REAL300000476020	0	31	-2.0	-102.79	309.48	3.60	-99.19
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000476021	0	31	-2.0	-94.82	328.01	4.73	-90.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C(Cl)=C1	REAL300000476022	0	31	-2.0	-90.43	312.84	4.28	-86.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C(Br)=C1	REAL300000476023	0	31	-2.0	-90.04	316.19	4.41	-85.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1F	REAL300000476024	0	31	-2.0	-92.45	304.32	3.76	-88.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)S1	REAL300000476025	0	28	-2.0	-94.17	292.05	2.84	-91.33
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000476026	0	31	-2.0	-95.90	306.20	3.77	-92.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1F	REAL300000476027	0	34	-2.0	-103.70	325.55	4.42	-99.28
COC1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000476028	0	35	-2.0	-95.08	340.10	4.34	-90.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C(F)=C1	REAL300000476029	0	31	-2.0	-91.92	305.25	3.79	-88.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1Cl	REAL300000476030	0	31	-2.0	-90.48	312.29	4.11	-86.37
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCF)N=C1	REAL300000476031	0	34	-2.0	-98.81	329.23	4.92	-93.89
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1	REAL300000476032	0	39	-2.0	-89.46	363.54	5.13	-84.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1Br	REAL300000476033	0	31	-2.0	-89.98	316.02	4.20	-85.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC(F)=C1F	REAL300000476034	0	31	-2.0	-94.27	310.62	3.80	-90.47
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000476035	0	33	-2.0	-90.13	327.98	4.37	-85.76
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000476036	0	32	-2.0	-105.60	309.50	1.43	-104.17
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1	REAL300000476037	0	34	-2.0	-96.34	321.97	4.49	-91.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC(Cl)=C1F	REAL300000476038	0	31	-2.0	-95.69	320.51	4.24	-91.45
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CCF)N=C1	REAL300000476039	0	34	-2.0	-100.45	309.84	4.34	-96.11
CC1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC(C(=O)[O-])=C1F	REAL300000476040	0	34	-2.0	-103.86	324.62	4.37	-99.49
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CCF)N=C1	REAL300000476041	0	34	-2.0	-93.23	315.20	4.49	-88.74
CC1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC(C(=O)[O-])=C1C	REAL300000476042	0	37	-2.0	-108.93	336.59	4.87	-104.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC=C1[N+](=O)[O-]	REAL300000476043	0	33	-2.0	-103.55	326.37	4.80	-98.75
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000476044	0	31	-2.0	-93.99	311.54	3.84	-90.15
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)S1	REAL300000476045	0	28	-2.0	-92.10	312.37	3.40	-88.70
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C(C)=C1C(=O)[O-]	REAL300000476046	0	37	-2.0	-104.92	333.18	5.12	-99.80
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1C(=O)[O-]	REAL300000476047	0	34	-2.0	-104.52	325.10	4.41	-100.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1Cl	REAL300000476048	0	34	-2.0	-102.75	331.55	4.85	-97.90
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000476049	0	34	-2.0	-108.66	324.83	4.40	-104.26
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1C(=O)[O-]	REAL300000476050	0	37	-2.0	-106.44	333.76	4.89	-101.55
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1CC(=O)[O-]	REAL300000476051	0	38	-2.0	-106.52	350.27	3.84	-102.68
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(CCF)N=C1	REAL300000476052	0	34	-2.0	-94.15	326.05	4.89	-89.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1C(F)(F)F	REAL300000476053	0	34	-2.0	-89.48	329.91	4.53	-84.95
CC1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000476054	0	34	-2.0	-102.57	331.01	4.67	-97.90
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000476055	0	31	-2.0	-97.68	321.08	4.32	-93.36
CCN1C=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1C(=O)[O-]	REAL300000476056	0	35	-2.0	-104.64	327.81	3.94	-100.70
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C(C)=C1CC(=O)[O-]	REAL300000476057	0	43	-2.0	-104.17	364.94	6.58	-97.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C(F)C(Cl)=C1F	REAL300000476058	0	31	-2.0	-92.97	325.39	4.27	-88.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C(OC(F)(F)F)=C1	REAL300000476059	0	35	-2.0	-91.73	344.49	4.01	-87.72
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1C(=O)[O-]	REAL300000476060	0	34	-2.0	-99.18	333.53	4.77	-94.41
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C(C(=O)[O-])S1	REAL300000476061	0	40	-2.0	-102.74	349.24	5.84	-96.90
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1C(=O)[O-]	REAL300000476062	0	35	-2.0	-106.62	340.12	4.34	-102.28
CC1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC=C1C(=O)[O-]	REAL300000476063	0	34	-2.0	-92.87	315.80	4.26	-88.61
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C([N+](=O)[O-])=C1	REAL300000476064	0	36	-2.0	-96.45	340.51	5.88	-90.57
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCF)N=C1	REAL300000476065	0	34	-2.0	-104.28	319.33	4.55	-99.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1[N+](=O)[O-]	REAL300000476066	0	33	-2.0	-110.89	323.53	5.57	-105.32
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1F	REAL300000476067	0	31	-2.0	-107.95	303.45	3.74	-104.21
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C1C(=O)[O-]	REAL300000476068	0	34	-2.0	-97.43	324.73	4.38	-93.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC2=CC=CC=C21	REAL300000476069	0	37	-2.0	-112.63	340.83	5.84	-106.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000476070	0	30	-2.0	-102.54	296.77	1.78	-100.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CCF)N=C1	REAL300000476071	0	35	-2.0	-96.90	327.99	3.51	-93.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C(Cl)O1	REAL300000476072	0	28	-2.0	-93.11	299.94	2.68	-90.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=CC=C1OC(F)(F)F	REAL300000476073	0	35	-2.0	-100.21	343.58	4.27	-95.94
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CCF)N=C2)=C1	REAL300000476074	0	34	-2.0	-95.90	343.14	0.75	-95.15
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(CCF)N=C3)C=C2)CC1	REAL300000476075	0	38	-2.0	-98.33	343.77	5.53	-92.80
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(CCF)N=C3)C=C2C1	REAL300000476076	0	38	-2.0	-101.79	345.23	5.59	-96.20
CCC1=C(S(=O)(=O)[N-]C2=CN(CCF)N=C2)C=C(C(=O)[O-])O1	REAL300000476077	0	34	-2.0	-99.63	321.92	3.71	-95.92
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1	REAL300000476078	1	43	-2.0	-89.96	375.85	3.70	-86.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=CC=C1F	REAL300000476079	1	36	-2.0	-106.26	323.97	5.14	-101.12
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCCC2=C1	REAL300000476080	0	44	-2.0	-107.84	379.04	6.20	-101.64
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476082	1	36	-2.0	-109.42	319.44	5.11	-104.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCCC2=C1	REAL300000476083	0	40	-2.0	-115.00	347.56	4.90	-110.10
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1	REAL300000476084	1	40	-2.0	-96.04	350.84	6.41	-89.63
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476086	0	36	-2.0	-104.85	332.49	5.68	-99.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=CC=C1Cl	REAL300000476087	1	36	-2.0	-104.72	331.95	5.50	-99.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1C	REAL300000476088	1	42	-2.0	-112.20	351.79	6.42	-105.78
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476089	0	36	-2.0	-106.65	324.90	5.17	-101.48
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1	REAL300000476090	1	42	-2.0	-95.37	363.00	6.68	-88.69
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476091	0	33	-2.0	-103.47	312.60	4.12	-99.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCCC2=C1	REAL300000476092	1	39	-2.0	-110.25	334.85	5.89	-104.36
CN1C=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1C(=O)[O-]	REAL300000476094	1	37	-2.0	-107.69	326.08	4.46	-103.23
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476096	0	36	-2.0	-99.32	328.53	4.78	-94.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=CS1	REAL300000476098	0	33	-2.0	-104.55	311.09	4.14	-100.41
COC1=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000476099	1	44	-2.0	-109.30	377.74	4.91	-104.39
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476101	1	46	-2.0	-114.31	374.66	7.73	-106.58
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCCC2=C1	REAL300000476102	1	45	-2.0	-112.57	373.32	7.10	-105.47
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCCC2=C1	REAL300000476103	1	42	-2.0	-108.50	349.55	6.82	-101.68
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCCC2=C1	REAL300000476104	0	43	-2.0	-115.74	369.85	5.67	-110.07
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3COCCC3=C2)=C1	REAL300000476105	0	39	-2.0	-110.37	350.48	5.65	-104.72
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476105	1	38	-3.0	-184.61	347.82	5.67	-178.94
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476106	1	43	-2.0	-114.62	363.66	7.00	-107.62
CC1=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C(C(=O)[O-])O1	REAL300000476107	0	36	-2.0	-102.97	322.42	4.24	-98.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=CC2=C1OCCO2	REAL300000476108	1	42	-2.0	-114.15	361.61	4.88	-109.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476109	0	40	-2.0	-110.01	348.40	4.19	-105.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C(Cl)C=C1F	REAL300000476111	0	36	-2.0	-101.43	337.01	5.70	-95.73
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1Cl	REAL300000476112	1	40	-2.0	-93.23	366.54	5.93	-87.30
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCCC2=C1	REAL300000476114	1	39	-2.0	-100.59	340.13	5.92	-94.67
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1F	REAL300000476115	1	40	-2.0	-94.11	356.73	5.46	-88.65
CC1=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C(C(=O)[O-])S1	REAL300000476117	1	36	-2.0	-106.55	328.02	4.99	-101.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C(Cl)=C1	REAL300000476118	0	36	-2.0	-93.93	332.45	5.67	-88.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1F	REAL300000476119	1	36	-2.0	-95.88	323.95	5.15	-90.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)S1	REAL300000476120	0	33	-2.0	-98.10	311.69	4.23	-93.87
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476121	1	36	-2.0	-100.07	325.82	5.17	-94.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1F	REAL300000476122	0	39	-2.0	-108.10	345.16	5.80	-102.30
COC1=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000476123	0	40	-2.0	-98.51	359.73	5.72	-92.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C(F)=C1	REAL300000476124	0	36	-2.0	-95.92	324.86	5.18	-90.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1Cl	REAL300000476125	1	36	-2.0	-93.99	331.92	5.51	-88.48
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2COCCC2=C1	REAL300000476126	1	39	-2.0	-102.31	348.86	6.30	-96.01
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1	REAL300000476127	1	44	-2.0	-92.70	383.16	6.52	-86.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=CC(F)=C1F	REAL300000476128	1	36	-2.0	-97.71	330.25	5.20	-92.51
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476129	1	38	-2.0	-93.81	347.60	5.77	-88.04
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476130	0	37	-2.0	-109.14	329.13	2.82	-106.32
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3COCCC3=C2)=C1	REAL300000476130	1	37	-2.0	-107.42	328.31	3.61	-103.81
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1	REAL300000476131	1	39	-2.0	-100.13	341.61	5.88	-94.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=CC(Cl)=C1F	REAL300000476132	1	36	-2.0	-99.23	340.12	5.63	-93.60
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2COCCC2=C1	REAL300000476133	1	39	-2.0	-105.15	329.49	5.73	-99.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=CC(C(=O)[O-])=C1F	REAL300000476134	1	39	-2.0	-108.15	344.27	5.76	-102.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000476137	0	38	-2.0	-106.85	346.00	6.20	-100.65
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476138	0	36	-2.0	-98.05	331.17	5.23	-92.82
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1C(=O)[O-]	REAL300000476140	0	39	-2.0	-107.80	340.89	5.70	-102.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1Cl	REAL300000476141	0	39	-2.0	-106.68	351.19	6.24	-100.44
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476142	0	39	-2.0	-113.91	344.45	5.79	-108.12
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2COCCC2=C1	REAL300000476145	1	39	-2.0	-98.33	345.68	6.28	-92.05
CC1=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000476146	1	39	-2.0	-107.00	350.66	6.07	-100.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1C(=O)[O-]	REAL300000476147	1	40	-2.0	-109.03	347.46	5.32	-103.71
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1C(=O)[O-]	REAL300000476149	1	39	-2.0	-103.40	353.16	6.17	-97.23
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C(C(=O)[O-])S1	REAL300000476150	0	45	-2.0	-106.21	368.88	7.23	-98.98
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1C(=O)[O-]	REAL300000476151	0	40	-2.0	-110.39	359.74	5.73	-104.66
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C([N+](=O)[O-])=C1	REAL300000476153	0	41	-2.0	-101.78	362.66	7.30	-94.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1[N+](=O)[O-]	REAL300000476155	0	38	-2.0	-116.08	343.14	6.95	-109.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1F	REAL300000476156	0	36	-2.0	-113.09	323.04	5.13	-107.96
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C1C(=O)[O-]	REAL300000476157	1	39	-2.0	-101.57	344.36	5.78	-95.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=CC2=CC=CC=C21	REAL300000476158	1	42	-2.0	-117.39	360.48	7.23	-110.16
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C1	REAL300000476159	0	35	-2.0	-106.37	316.40	3.16	-103.21
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2COCCC2=C1	REAL300000476160	0	40	-2.0	-100.83	347.62	4.90	-95.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)=C(Cl)O1	REAL300000476161	0	33	-2.0	-96.69	319.49	4.06	-92.63
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4COCCC4=C3)C=C2)CC1	REAL300000476162	1	43	-2.0	-103.27	365.54	6.99	-96.28
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4COCCC4=C3)C=C2C1	REAL300000476163	1	43	-2.0	-107.02	364.88	7.00	-100.02
CCC1=C(S(=O)(=O)[N-]C2=CC=C3COCCC3=C2)C=C(C(=O)[O-])O1	REAL300000476164	0	39	-2.0	-102.85	341.55	5.10	-97.75
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC=CC2=C1	REAL300000476166	0	47	-2.0	-110.17	396.51	9.11	-101.06
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476168	1	39	-2.0	-112.29	336.88	8.01	-104.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC=CC2=C1	REAL300000476169	0	43	-2.0	-117.61	365.03	7.81	-109.80
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C1	REAL300000476170	1	43	-2.0	-98.42	368.34	9.30	-89.12
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476172	0	39	-2.0	-107.30	349.95	8.58	-98.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=CC=C1Cl	REAL300000476173	1	39	-2.0	-107.84	349.39	8.40	-99.44
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476175	0	39	-2.0	-109.31	342.36	8.07	-101.24
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C1	REAL300000476176	1	45	-2.0	-98.06	380.46	9.60	-88.46
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476177	0	36	-2.0	-106.13	330.07	7.03	-99.10
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C1C(=O)[O-]	REAL300000476180	1	40	-2.0	-110.45	343.53	7.36	-103.09
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476182	0	39	-2.0	-102.24	345.99	7.69	-94.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=CS1	REAL300000476184	1	36	-2.0	-107.78	328.53	7.05	-100.73
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476186	1	49	-2.0	-116.74	392.13	10.65	-106.09
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC=CC2=C1	REAL300000476187	1	48	-2.0	-114.89	390.78	10.02	-104.87
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC=CC2=C1	REAL300000476188	1	45	-2.0	-110.62	367.03	9.73	-100.89
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC=CC2=C1	REAL300000476189	0	46	-2.0	-118.62	387.32	8.57	-110.05
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3CCCC=CC3=C2)=C1	REAL300000476190	0	42	-2.0	-111.40	372.00	8.44	-102.96
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476190	1	41	-3.0	-188.93	365.29	8.57	-180.36
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476191	1	46	-2.0	-117.03	381.13	9.90	-107.13
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C(C(=O)[O-])O1	REAL300000476192	0	39	-2.0	-105.30	339.89	7.15	-98.15
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476193	0	43	-2.0	-113.29	365.85	7.10	-106.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C(Cl)C=C1F	REAL300000476195	0	39	-2.0	-103.70	354.48	8.60	-95.10
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC=CC2=C1	REAL300000476197	1	42	-2.0	-102.86	357.59	8.83	-94.03
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C1F	REAL300000476198	1	43	-2.0	-96.39	374.17	8.36	-88.03
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C(C(=O)[O-])S1	REAL300000476200	1	39	-2.0	-108.89	345.49	7.91	-100.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C(Cl)=C1	REAL300000476201	0	39	-2.0	-96.60	349.93	8.57	-88.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C1F	REAL300000476202	1	39	-2.0	-98.39	341.41	8.05	-90.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)S1	REAL300000476203	0	36	-2.0	-100.91	329.15	7.14	-93.77
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476204	1	39	-2.0	-102.71	343.29	8.07	-94.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1F	REAL300000476205	0	42	-2.0	-110.76	362.64	8.71	-102.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C(F)=C1	REAL300000476206	0	39	-2.0	-98.73	342.35	8.08	-90.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C1Cl	REAL300000476207	1	39	-2.0	-96.54	349.37	8.41	-88.13
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC=CC2=C1	REAL300000476208	1	42	-2.0	-104.63	366.32	9.21	-95.42
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C1	REAL300000476209	1	47	-2.0	-94.97	400.63	9.42	-85.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=CC(F)=C1F	REAL300000476210	1	39	-2.0	-100.57	347.70	8.10	-92.47
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476211	1	41	-2.0	-96.57	365.07	8.68	-87.89
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476212	0	40	-2.0	-111.40	346.60	5.72	-105.68
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CCCC=CC3=C2)=C1	REAL300000476212	1	40	-2.0	-108.39	345.72	6.53	-101.86
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C1	REAL300000476213	1	42	-2.0	-102.63	359.04	8.79	-93.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=CC(Cl)=C1F	REAL300000476214	1	39	-2.0	-102.12	357.59	8.54	-93.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=CC=C1[N+](=O)[O-]	REAL300000476219	0	41	-2.0	-109.77	363.44	9.11	-100.66
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476220	0	39	-2.0	-100.63	348.64	8.13	-92.50
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C1C(=O)[O-]	REAL300000476222	0	42	-2.0	-111.65	362.20	8.71	-102.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1Cl	REAL300000476223	0	42	-2.0	-109.16	368.64	9.15	-100.01
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476224	0	42	-2.0	-117.73	361.92	8.70	-109.03
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2CCCC=CC2=C1	REAL300000476227	1	42	-2.0	-101.44	363.15	9.19	-92.25
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000476228	1	42	-2.0	-109.68	368.10	8.97	-100.71
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C1C(=O)[O-]	REAL300000476229	1	43	-2.0	-111.82	364.89	8.23	-103.59
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C1C(=O)[O-]	REAL300000476231	1	42	-2.0	-106.61	370.63	9.08	-97.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1[N+](=O)[O-]	REAL300000476234	0	41	-2.0	-119.86	360.63	9.87	-109.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1F	REAL300000476235	0	39	-2.0	-116.83	340.54	8.04	-108.79
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C1C(=O)[O-]	REAL300000476236	1	42	-2.0	-104.71	361.82	8.69	-96.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=CC2=CC=CC=C21	REAL300000476237	1	45	-2.0	-120.77	377.93	10.14	-110.63
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C1	REAL300000476238	0	38	-2.0	-108.94	333.87	6.07	-102.87
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCCC=CC2=C1	REAL300000476239	0	43	-2.0	-103.66	365.08	7.80	-95.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)=C(Cl)O1	REAL300000476240	0	36	-2.0	-99.14	337.03	6.98	-92.16
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCCC=CC4=C3)C=C2)CC1	REAL300000476241	1	46	-2.0	-105.69	382.99	9.90	-95.79
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCCC=CC4=C3)C=C2C1	REAL300000476242	1	46	-2.0	-110.07	382.33	9.91	-100.16
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCCC=CC3=C2)C=C(C(=O)[O-])O1	REAL300000476243	0	42	-2.0	-105.07	359.02	8.00	-97.07
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000476244	0	33	-2.0	-108.81	325.70	6.25	-102.56
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000476245	0	33	-2.0	-98.89	321.15	6.23	-92.66
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000476246	0	33	-2.0	-111.58	322.66	6.29	-105.29
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(C)=O	REAL300000476247	0	37	-2.0	-115.69	349.30	6.01	-109.68
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000476248	0	37	-2.0	-97.39	351.84	7.49	-89.90
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000476249	0	36	-2.0	-112.75	337.17	6.75	-106.00
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000476250	0	33	-2.0	-105.55	333.45	6.77	-98.78
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000476251	0	33	-2.0	-107.05	332.89	6.59	-100.46
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000476252	0	39	-2.0	-113.00	355.77	7.63	-105.37
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000476253	0	33	-2.0	-107.86	325.86	6.26	-101.60
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000476254	0	39	-2.0	-96.85	366.24	7.89	-88.96
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000476255	0	30	-2.0	-105.76	314.35	5.23	-100.53
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000476256	0	36	-2.0	-110.84	336.59	7.01	-103.83
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000476257	1	37	-2.0	-96.30	352.24	6.50	-89.80
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000476258	0	34	-2.0	-109.87	327.81	5.57	-104.30
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000476259	1	37	-2.0	-111.25	344.17	5.04	-106.21
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000476260	0	33	-2.0	-101.81	329.52	5.89	-95.92
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000476261	1	39	-2.0	-113.63	358.11	7.73	-105.90
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000476262	0	30	-2.0	-107.10	312.81	5.26	-101.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000476263	1	37	-2.0	-117.09	347.67	6.27	-110.82
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000476264	0	42	-2.0	-112.71	375.80	8.30	-104.41
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(C)=O	REAL300000476265	0	39	-2.0	-107.71	346.79	7.88	-99.83
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(C)=O	REAL300000476266	0	40	-2.0	-116.83	370.81	6.77	-110.06
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000476267	0	35	-3.0	-189.02	348.79	6.76	-182.26
CC(=O)C1=CC(Cl)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000476267	1	36	-2.0	-108.67	346.96	6.73	-101.94
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000476268	0	40	-2.0	-115.46	365.40	8.11	-107.35
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000476269	0	33	-2.0	-104.35	323.39	5.34	-99.01
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000476270	0	37	-2.0	-113.68	350.08	5.31	-108.37
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000476271	1	40	-2.0	-96.72	371.54	7.19	-89.53
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000476272	0	36	-2.0	-101.65	341.09	7.03	-94.62
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000476273	1	40	-2.0	-118.15	371.80	7.27	-110.88
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000476274	0	33	-2.0	-107.44	329.78	6.12	-101.32
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000476275	0	33	-2.0	-95.89	333.43	6.76	-89.13
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000476276	0	33	-2.0	-98.46	327.20	6.34	-92.12
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000476277	0	30	-2.0	-100.76	313.42	5.35	-95.41
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000476278	0	33	-2.0	-102.36	327.58	6.28	-96.08
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000476279	0	36	-2.0	-109.47	346.13	6.89	-102.58
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000476280	0	33	-2.0	-98.53	326.62	6.29	-92.24
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000476281	0	33	-2.0	-96.52	335.17	6.70	-89.82
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000476282	0	33	-2.0	-100.29	331.98	6.31	-93.98
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000476283	0	35	-2.0	-96.43	349.35	6.89	-89.54
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000476284	0	34	-2.0	-108.94	330.10	3.90	-105.04
CC(=O)C1=CC(Cl)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000476284	1	34	-2.0	-107.79	323.89	4.78	-103.01
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000476285	0	36	-2.0	-101.52	342.56	6.98	-94.54
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000476286	0	36	-2.0	-108.01	330.42	6.85	-101.16
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000476287	0	36	-2.0	-110.29	345.99	6.87	-103.42
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000476288	1	36	-2.0	-98.55	336.58	7.00	-91.55
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000476289	0	39	-2.0	-114.69	353.26	7.27	-107.42
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000476290	0	35	-2.0	-109.33	346.96	7.30	-102.03
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000476291	0	33	-2.0	-100.17	334.40	6.42	-93.75
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000476292	1	39	-2.0	-112.95	354.69	7.62	-105.33
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000476293	0	36	-2.0	-110.45	346.47	6.91	-103.54
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000476294	0	36	-2.0	-117.27	345.40	6.89	-110.38
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000476295	0	39	-2.0	-113.25	354.35	7.39	-105.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)=O)C=C1CC(=O)[O-]	REAL300000476296	1	40	-2.0	-114.74	371.63	6.35	-108.39
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000476297	0	37	-2.0	-111.09	349.19	6.44	-104.65
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000476298	0	36	-2.0	-100.40	340.45	6.85	-93.55
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000476299	1	36	-2.0	-107.98	341.11	7.02	-100.96
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000476300	0	35	-2.0	-118.80	344.90	8.06	-110.74
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000476301	0	33	-2.0	-116.55	324.82	6.25	-110.30
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000476302	0	36	-2.0	-103.08	341.55	6.77	-96.31
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000476303	0	32	-2.0	-109.32	316.60	4.32	-105.00
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(C)=O	REAL300000476304	0	37	-2.0	-103.04	350.87	6.09	-96.95
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000476305	0	30	-2.0	-98.80	321.26	5.19	-93.61
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000476306	0	40	-2.0	-104.76	367.29	8.11	-96.65
CC(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000476307	0	40	-2.0	-109.48	366.75	8.16	-101.32
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)=O)C=C(C(=O)[O-])O1	REAL300000476308	0	36	-2.0	-103.14	338.69	6.18	-96.96
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C#N	REAL300000476309	1	36	-2.0	-98.68	342.69	5.24	-93.44
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C#N	REAL300000476310	1	36	-2.0	-89.20	338.14	5.22	-83.98
COCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C#N	REAL300000476311	1	36	-2.0	-100.76	338.16	5.21	-95.55
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1C#N	REAL300000476312	0	40	-2.0	-105.93	366.30	5.01	-100.92
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C#N	REAL300000476313	1	40	-2.0	-88.71	369.61	6.50	-82.21
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C#N	REAL300000476314	1	39	-2.0	-103.22	358.23	5.86	-97.36
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C#N	REAL300000476315	0	36	-2.0	-96.58	351.23	5.78	-90.80
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C#N	REAL300000476316	1	36	-2.0	-96.84	350.67	5.60	-91.24
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C#N	REAL300000476317	1	42	-2.0	-103.66	370.56	6.52	-97.14
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C#N	REAL300000476318	0	36	-2.0	-97.85	343.64	5.27	-92.58
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C#N	REAL300000476319	1	42	-2.0	-87.81	381.72	6.80	-81.01
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C#N	REAL300000476320	0	33	-2.0	-95.45	331.35	4.22	-91.23
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C#N	REAL300000476321	1	39	-2.0	-101.84	353.59	5.99	-95.85
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C#N	REAL300000476322	1	40	-2.0	-87.39	369.23	5.49	-81.90
COCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C#N	REAL300000476323	0	37	-2.0	-99.44	344.81	4.56	-94.88
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C#N	REAL300000476325	0	36	-2.0	-91.75	347.28	4.90	-86.85
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1C#N	REAL300000476326	1	42	-2.0	-102.91	369.62	6.53	-96.38
COCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C#N	REAL300000476327	0	33	-2.0	-96.76	329.81	4.24	-92.52
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1C#N	REAL300000476328	1	40	-2.0	-106.72	365.44	5.28	-101.44
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1C#N	REAL300000476329	1	45	-2.0	-103.68	392.06	7.21	-96.47
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(COC)C(C#N)=C1	REAL300000476330	1	42	-2.0	-100.39	368.29	6.94	-93.45
COCC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1C#N	REAL300000476331	0	43	-2.0	-106.28	388.59	5.77	-100.51
COCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C#N	REAL300000476332	0	39	-2.0	-108.33	369.04	5.78	-102.55
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C#N	REAL300000476332	1	38	-3.0	-175.30	366.57	5.77	-169.53
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C#N	REAL300000476333	1	43	-2.0	-105.67	382.41	7.11	-98.56
COCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C#N	REAL300000476334	0	36	-2.0	-95.36	341.17	4.35	-91.01
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C#N	REAL300000476335	0	40	-2.0	-102.17	367.15	4.31	-97.86
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C#N	REAL300000476336	0	36	-2.0	-93.67	355.76	5.80	-87.87
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1C#N	REAL300000476337	1	43	-2.0	-87.86	389.32	6.20	-81.66
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C#N	REAL300000476338	1	39	-2.0	-92.75	358.88	6.03	-86.72
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C#N	REAL300000476339	1	40	-2.0	-87.14	375.45	5.56	-81.58
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(COC)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000476340	1	43	-2.0	-107.28	387.32	6.18	-101.10
COCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C#N	REAL300000476341	0	36	-2.0	-98.52	346.76	5.10	-93.42
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C#N	REAL300000476342	0	36	-2.0	-86.85	351.21	5.77	-81.08
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C#N	REAL300000476343	1	36	-2.0	-88.87	342.69	5.25	-83.62
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C#N	REAL300000476344	0	33	-2.0	-90.66	330.43	4.34	-86.32
COCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C#N	REAL300000476345	1	36	-2.0	-91.98	344.57	5.28	-86.70
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C#N	REAL300000476346	0	39	-2.0	-99.12	363.92	5.91	-93.21
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C#N	REAL300000476347	0	36	-2.0	-88.38	343.63	5.28	-83.10
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C#N	REAL300000476348	1	36	-2.0	-86.81	350.66	5.61	-81.20
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C#N	REAL300000476349	1	39	-2.0	-94.35	367.62	6.42	-87.93
COCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C#N	REAL300000476350	1	36	-2.0	-90.54	348.98	5.30	-85.24
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C#N	REAL300000476351	0	38	-2.0	-86.30	366.35	5.88	-80.42
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C#N	REAL300000476352	0	37	-2.0	-100.76	347.87	2.92	-97.84
COCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C#N	REAL300000476352	1	37	-2.0	-100.48	336.89	3.80	-96.68
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C#N	REAL300000476353	1	39	-2.0	-92.12	360.33	5.99	-86.13
COCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1C#N	REAL300000476354	1	36	-2.0	-91.89	358.87	5.74	-86.15
COCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C#N	REAL300000476355	1	39	-2.0	-97.33	348.23	5.85	-91.48
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1C#N	REAL300000476356	1	39	-2.0	-99.95	362.99	5.86	-94.09
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1C#N	REAL300000476357	1	39	-2.0	-89.53	353.57	5.98	-83.55
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1C#N	REAL300000476358	1	42	-2.0	-105.08	374.96	6.38	-98.70
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C#N	REAL300000476359	0	38	-2.0	-99.90	364.72	6.30	-93.60
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C#N	REAL300000476360	0	36	-2.0	-89.78	349.92	5.34	-84.44
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C#N	REAL300000476361	1	42	-2.0	-101.45	372.64	6.60	-94.85
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C#N	REAL300000476362	0	39	-2.0	-98.83	359.64	5.81	-93.02
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C#N	REAL300000476363	0	39	-2.0	-98.26	369.92	6.35	-91.91
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C#N	REAL300000476364	0	39	-2.0	-105.63	363.18	5.90	-99.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(COC)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000476365	1	42	-2.0	-102.48	372.40	6.40	-96.08
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=C1C#N	REAL300000476366	1	43	-2.0	-102.37	388.62	5.34	-97.03
COCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C#N	REAL300000476367	1	39	-2.0	-91.67	368.70	6.47	-85.20
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1C#N	REAL300000476368	1	39	-2.0	-98.53	369.38	6.17	-92.36
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(COC)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000476369	0	40	-2.0	-100.66	366.18	5.42	-95.24
COCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1C#N	REAL300000476370	1	39	-2.0	-95.41	371.90	6.28	-89.13
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C#N	REAL300000476371	1	39	-2.0	-89.23	354.16	5.75	-83.48
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1C#N	REAL300000476372	1	39	-2.0	-99.84	357.70	6.05	-93.79
COCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C#N	REAL300000476373	0	38	-2.0	-108.04	361.89	7.06	-100.98
COCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C#N	REAL300000476374	0	36	-2.0	-104.85	341.78	5.23	-99.62
COCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C#N	REAL300000476375	1	39	-2.0	-93.68	363.10	5.89	-87.79
COCC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C#N	REAL300000476376	1	42	-2.0	-108.76	379.20	7.33	-101.43
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C#N	REAL300000476377	0	35	-2.0	-97.82	335.15	3.26	-94.56
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1C#N	REAL300000476378	0	40	-2.0	-93.05	366.36	5.01	-88.04
COCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C#N	REAL300000476379	0	33	-2.0	-89.36	338.31	4.20	-85.16
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C#N	REAL300000476380	1	43	-2.0	-95.28	384.29	7.10	-88.18
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C#N	REAL300000476381	1	43	-2.0	-98.57	383.60	7.10	-91.47
CCC1=C(S(=O)(=O)[N-]C2=CC=C(COC)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000476382	0	39	-2.0	-95.27	360.29	5.20	-90.07
COC(=O)C(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000476383	1	41	-2.0	-99.17	375.69	6.60	-92.57
COC(=O)C(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000476384	1	41	-2.0	-111.31	375.70	6.58	-104.73
COC(=O)C(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000476385	0	40	-2.0	-101.15	372.68	4.65	-96.50
CN1CCC2=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000476386	1	39	-2.0	-102.14	348.01	5.66	-96.48
CN1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C2C1=O	REAL300000476387	1	39	-2.0	-93.01	343.65	5.61	-87.40
CN1CCC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000476388	1	39	-2.0	-105.34	343.47	5.61	-99.73
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCN(C)C2=O	REAL300000476389	0	43	-2.0	-111.33	371.63	5.41	-105.92
CN1CCC2=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=CC=C2C1=O	REAL300000476390	1	43	-2.0	-93.16	375.12	6.90	-86.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)C=C1C(=O)[O-]	REAL300000476391	1	42	-2.0	-105.40	359.49	6.16	-99.24
CN1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=CC=C2C1=O	REAL300000476392	0	39	-2.0	-101.79	356.70	6.19	-95.60
CN1CCC2=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000476393	1	39	-2.0	-100.40	355.98	6.02	-94.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)=C1C	REAL300000476394	1	45	-2.0	-109.35	376.77	6.93	-102.42
CN1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=CC=C2C1=O	REAL300000476395	0	39	-2.0	-103.15	349.10	5.68	-97.47
CN1CCC2=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=CC=C2C1=O	REAL300000476396	1	45	-2.0	-92.34	387.24	7.19	-85.15
CN1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C2C1=O	REAL300000476397	0	36	-2.0	-99.65	336.68	4.64	-95.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCN(C)C2=O	REAL300000476398	1	42	-2.0	-107.25	358.93	6.41	-100.84
CN1CCC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=CC=C2C1=O	REAL300000476399	1	43	-2.0	-91.73	374.74	5.88	-85.85
CN1C=C(S(=O)(=O)[N-]C2=C3CCN(C)C(=O)C3=CC=C2)C=C1C(=O)[O-]	REAL300000476400	0	40	-2.0	-103.67	350.11	4.98	-98.69
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCN(C)C2=O	REAL300000476401	1	43	-2.0	-107.88	367.28	4.46	-103.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)=C1	REAL300000476402	0	39	-2.0	-95.53	352.78	5.28	-90.25
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)C=C1C(=O)[O-]	REAL300000476403	1	45	-2.0	-109.70	378.94	7.05	-102.65
CN1CCC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000476404	0	36	-2.0	-100.43	335.12	4.66	-95.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)C=C1C(=O)[O-]	REAL300000476405	1	43	-2.0	-111.13	370.76	5.69	-105.44
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCN(C)C2=O	REAL300000476406	1	45	-2.0	-105.86	370.35	7.21	-98.65
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)C=C(C(=O)[O-])O1	REAL300000476407	0	39	-2.0	-100.31	346.63	4.76	-95.55
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)=C1	REAL300000476408	0	43	-2.0	-104.50	372.58	4.69	-99.81
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCN(C)C2=O	REAL300000476409	1	42	-2.0	-97.95	364.37	6.41	-91.54
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)C=C(C(=O)[O-])S1	REAL300000476410	0	39	-2.0	-103.48	353.19	5.51	-97.97
CN1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=CC=C2C1=O	REAL300000476411	0	39	-2.0	-90.57	356.71	6.17	-84.40
CN1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C2C1=O	REAL300000476412	1	39	-2.0	-92.48	348.00	5.67	-86.81
CN1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C2C1=O	REAL300000476413	0	36	-2.0	-94.43	335.88	4.74	-89.69
CN1CCC2=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000476414	0	39	-2.0	-95.81	350.03	5.68	-90.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)=C1F	REAL300000476415	0	42	-2.0	-104.51	369.42	6.30	-98.21
CN1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=CC=C2C1=O	REAL300000476416	0	39	-2.0	-92.08	349.12	5.68	-86.40
CN1CCC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C2C1=O	REAL300000476417	1	39	-2.0	-90.41	355.97	6.03	-84.38
CN1CCC2=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000476418	1	39	-2.0	-94.91	354.49	5.70	-89.21
CN1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=CC=C2C1=O	REAL300000476419	0	40	-2.0	-106.44	353.21	3.33	-103.11
CN1CCC2=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=CC=C2C1=O	REAL300000476419	1	40	-2.0	-109.01	347.93	3.64	-105.37
CN1CCC2=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=CC=C2C1=O	REAL300000476420	1	42	-2.0	-96.17	365.85	6.38	-89.79
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCN(C)C2=O	REAL300000476421	1	42	-2.0	-100.03	353.69	6.25	-93.78
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)=CC(C(=O)[O-])=C1F	REAL300000476422	1	42	-2.0	-104.50	368.51	6.25	-98.25
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCN(C)C2=O	REAL300000476423	1	42	-2.0	-93.57	359.08	6.39	-87.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)=CC(C(=O)[O-])=C1C	REAL300000476424	1	45	-2.0	-107.53	376.54	6.66	-100.87
CN1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=CC=C2C1=O	REAL300000476425	0	39	-2.0	-94.63	355.39	5.72	-88.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)C(C)=C1C(=O)[O-]	REAL300000476426	1	45	-2.0	-104.23	376.88	7.03	-97.20
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)C=C1C(=O)[O-]	REAL300000476427	0	42	-2.0	-103.94	364.99	6.22	-97.72
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)=C1	REAL300000476428	0	42	-2.0	-108.22	368.68	6.30	-101.92
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)C=C1C(=O)[O-]	REAL300000476429	1	45	-2.0	-106.19	377.43	6.80	-99.39
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)C=C1C(=O)[O-]	REAL300000476430	0	43	-2.0	-104.80	371.50	5.85	-98.95
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)=CC=C1C(=O)[O-]	REAL300000476431	1	42	-2.0	-92.88	359.48	6.17	-86.71
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCN(C)C2=O	REAL300000476432	1	42	-2.0	-105.05	363.03	6.47	-98.58
CN1CCC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=CC=C2C1=O	REAL300000476433	0	39	-2.0	-107.31	347.15	5.66	-101.65
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)C=C1C(=O)[O-]	REAL300000476434	1	42	-2.0	-97.15	364.79	6.19	-90.96
CN1CCC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C2C1=O	REAL300000476435	0	38	-2.0	-102.77	339.68	3.75	-99.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCN(C)C2=O	REAL300000476436	0	43	-2.0	-97.13	371.87	5.40	-91.73
CN1CCC2=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=CC=C2C1=O	REAL300000476437	0	36	-2.0	-93.51	343.63	4.61	-88.90
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCN(C)C3=O)C=C(C(=O)[O-])O1	REAL300000476438	0	42	-2.0	-100.31	363.91	5.55	-94.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=CC=C1F	REAL300000476439	0	39	-2.0	-114.51	349.71	4.60	-109.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1	REAL300000476440	0	39	-2.0	-104.04	345.16	4.58	-99.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1	REAL300000476441	0	39	-2.0	-117.36	345.18	4.57	-112.79
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCOCC2)C=C1	REAL300000476442	0	43	-2.0	-123.13	373.33	4.39	-118.74
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1	REAL300000476443	0	43	-2.0	-103.73	376.63	5.87	-97.86
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000476444	0	42	-2.0	-118.37	361.19	5.10	-113.27
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1	REAL300000476445	0	39	-2.0	-113.06	358.24	5.13	-107.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=CC=C1Cl	REAL300000476446	0	39	-2.0	-112.98	357.68	4.96	-108.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1C	REAL300000476447	0	45	-2.0	-120.44	378.26	5.89	-114.55
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1	REAL300000476448	0	39	-2.0	-114.85	350.65	4.63	-110.22
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1	REAL300000476449	0	45	-2.0	-103.12	388.74	6.16	-96.96
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1	REAL300000476450	0	36	-2.0	-111.24	338.36	3.60	-107.64
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCOCC2)C=C1	REAL300000476451	0	42	-2.0	-118.53	360.61	5.34	-113.19
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1	REAL300000476452	0	43	-2.0	-102.40	376.24	4.86	-97.54
CN1C=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000476453	0	40	-2.0	-115.61	351.82	3.93	-111.68
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCOCC2)C=C1	REAL300000476454	0	43	-2.0	-118.55	369.40	3.38	-115.17
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1	REAL300000476455	0	39	-2.0	-107.04	354.29	4.26	-102.78
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000476456	0	45	-2.0	-119.92	376.63	5.88	-114.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=CS1	REAL300000476457	0	36	-2.0	-112.75	336.83	3.60	-109.15
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000476458	0	43	-2.0	-122.95	372.47	4.64	-118.31
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCOCC2)C=C1	REAL300000476459	0	48	-2.0	-120.96	399.07	6.57	-114.39
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCOCC2)C=C1	REAL300000476460	0	45	-2.0	-116.82	375.30	6.28	-110.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCOCC2)C=C1	REAL300000476461	0	46	-2.0	-123.74	395.62	5.15	-118.59
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1	REAL300000476462	0	41	-3.0	-192.55	373.58	5.14	-187.41
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1	REAL300000476463	0	46	-2.0	-123.02	389.41	6.46	-116.56
CC1=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000476464	0	39	-2.0	-110.58	348.20	3.73	-106.85
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1	REAL300000476465	0	43	-2.0	-117.98	374.09	3.67	-114.31
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=CC=C1OCC(=O)[O-]	REAL300000476466	0	46	-2.0	-102.86	396.33	5.56	-97.30
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCOCC2)C=C1	REAL300000476467	0	42	-2.0	-108.62	365.88	5.39	-103.23
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1F	REAL300000476468	0	43	-2.0	-101.60	382.48	4.92	-96.68
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000476469	0	46	-2.0	-123.58	394.33	5.55	-118.03
CC1=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C(C(=O)[O-])S1	REAL300000476470	0	39	-2.0	-114.44	354.86	4.45	-109.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C(Cl)=C1	REAL300000476471	0	39	-2.0	-101.47	358.21	5.12	-96.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1F	REAL300000476472	0	39	-2.0	-103.25	349.69	4.61	-98.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)S1	REAL300000476473	0	36	-2.0	-105.82	337.45	3.71	-102.11
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1	REAL300000476474	0	39	-2.0	-107.61	351.58	4.64	-102.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1F	REAL300000476475	0	42	-2.0	-116.32	370.93	5.28	-111.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C(F)=C1	REAL300000476476	0	39	-2.0	-103.48	350.62	4.64	-98.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1Cl	REAL300000476477	0	39	-2.0	-101.48	357.66	4.97	-96.51
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCOCC2)C=C1	REAL300000476478	0	42	-2.0	-110.42	374.61	5.77	-104.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=CC(F)=C1F	REAL300000476479	0	39	-2.0	-105.58	356.00	4.66	-100.92
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1	REAL300000476480	0	41	-2.0	-101.70	373.37	5.24	-96.46
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1	REAL300000476481	0	40	-2.0	-117.21	354.90	2.31	-114.90
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1	REAL300000476482	0	42	-2.0	-108.05	367.34	5.36	-102.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C2CCOCC2)C=C1	REAL300000476483	0	42	-2.0	-113.11	355.26	5.21	-107.90
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000476484	0	42	-2.0	-115.90	370.01	5.22	-110.68
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2CCOCC2)C=C1	REAL300000476485	0	42	-2.0	-104.24	360.57	5.33	-98.91
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000476486	0	45	-2.0	-121.81	381.97	5.74	-116.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000476487	0	41	-2.0	-114.76	371.73	5.67	-109.09
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1	REAL300000476488	0	39	-2.0	-105.94	356.93	4.71	-101.23
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C(C)=C1C(=O)[O-]	REAL300000476489	0	45	-2.0	-117.27	379.67	5.96	-111.31
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000476490	0	42	-2.0	-116.02	366.65	5.17	-110.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1Cl	REAL300000476491	0	42	-2.0	-114.90	376.94	5.70	-109.20
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1	REAL300000476492	0	42	-2.0	-121.80	370.18	5.26	-116.54
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000476493	0	45	-2.0	-119.45	379.11	5.76	-113.69
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1CC(=O)[O-]	REAL300000476494	0	46	-2.0	-118.90	395.65	4.70	-114.20
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C2CCOCC2)C=C1	REAL300000476495	0	42	-2.0	-106.05	371.44	5.75	-100.30
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000476496	0	42	-2.0	-114.86	376.40	5.53	-109.33
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000476497	0	43	-2.0	-116.90	373.20	4.79	-112.11
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000476498	0	42	-2.0	-110.52	375.04	5.54	-104.98
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=CC=C1C(=O)[O-]	REAL300000476499	0	42	-2.0	-104.24	361.18	5.11	-99.13
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCOCC2)C=C1	REAL300000476500	0	42	-2.0	-115.84	364.71	5.41	-110.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1[N+](=O)[O-]	REAL300000476501	0	41	-2.0	-123.89	368.92	6.42	-117.47
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1F	REAL300000476502	0	39	-2.0	-120.95	348.83	4.61	-116.34
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C1C(=O)[O-]	REAL300000476503	0	42	-2.0	-108.68	366.34	5.14	-103.54
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C1	REAL300000476504	0	38	-2.0	-115.01	341.38	2.69	-112.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2CCOCC2)C=C1	REAL300000476505	0	43	-2.0	-108.66	373.37	4.38	-104.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)=C(Cl)O1	REAL300000476506	0	36	-2.0	-104.35	345.31	3.55	-100.80
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN(C4CCOCC4)C=C3)C=C2)CC1	REAL300000476507	0	46	-2.0	-111.11	391.30	6.46	-104.65
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN(C4CCOCC4)C=C3)C=C2C1	REAL300000476508	0	46	-2.0	-114.62	390.61	6.46	-108.16
CCC1=C(S(=O)(=O)[N-]C2=NN(C3CCOCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000476509	0	42	-2.0	-110.71	367.31	4.56	-106.15
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CN=C1OC	REAL300000476510	0	42	-2.0	-86.78	378.70	0.19	-86.59
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476511	0	35	-2.0	-102.03	326.78	1.63	-100.40
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(OC)C(OC)=C1	REAL300000476512	0	43	-2.0	-103.92	381.86	2.70	-101.22
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CN=C1OC	REAL300000476513	0	35	-2.0	-92.38	322.24	1.61	-90.77
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CN=C1OC	REAL300000476514	0	35	-2.0	-104.26	322.24	1.60	-102.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(OC)C(OC)=C1	REAL300000476515	0	39	-2.0	-109.99	350.38	1.40	-108.59
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CN=C1OC	REAL300000476516	0	39	-2.0	-92.57	353.69	2.90	-89.67
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476517	0	38	-2.0	-105.29	338.26	2.13	-103.16
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CN=C1OC	REAL300000476518	0	35	-2.0	-100.56	335.31	2.19	-98.37
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476519	0	35	-2.0	-100.29	334.76	1.99	-98.30
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CN=C1OC	REAL300000476520	0	41	-2.0	-107.92	354.91	2.95	-104.97
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CN=C1OC	REAL300000476521	0	35	-2.0	-101.70	327.71	1.67	-100.03
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CN=C1OC	REAL300000476522	0	41	-2.0	-91.79	365.82	3.19	-88.60
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CN=C1OC	REAL300000476523	0	32	-2.0	-98.59	315.43	0.63	-97.96
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CN=C1OC	REAL300000476524	0	38	-2.0	-105.91	337.68	2.39	-103.52
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CN=C1OC	REAL300000476525	1	39	-2.0	-91.18	353.31	1.89	-89.29
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476526	0	36	-2.0	-102.70	328.89	0.96	-101.74
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CN=C1OC	REAL300000476527	1	39	-2.0	-106.32	346.45	0.42	-105.90
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CN=C1OC	REAL300000476528	0	35	-2.0	-94.87	331.35	1.28	-93.59
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CN=C1OC	REAL300000476529	1	41	-2.0	-107.34	353.31	2.94	-104.40
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CN=C1OC	REAL300000476530	0	32	-2.0	-100.09	313.89	0.64	-99.45
COC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476531	0	43	-2.0	-104.56	380.56	1.42	-103.14
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC)C(OC)=C2)C=C1C(=O)[O-]	REAL300000476532	1	39	-2.0	-110.13	349.53	1.68	-108.45
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CN=C1OC	REAL300000476533	0	45	-2.0	-109.44	377.47	4.23	-105.21
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CN=C1OC	REAL300000476534	0	44	-2.0	-108.08	376.14	3.62	-104.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(OC)C(OC)=C1	REAL300000476535	0	41	-2.0	-104.68	352.36	3.33	-101.35
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(OC)C(OC)=C1	REAL300000476536	0	42	-2.0	-110.03	372.67	2.17	-107.86
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CN=C1OC	REAL300000476537	0	37	-3.0	-177.20	350.64	2.18	-175.02
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CN=C1OC	REAL300000476537	1	38	-2.0	-111.23	353.04	2.17	-109.06
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CN=C1OC	REAL300000476538	0	42	-2.0	-109.72	366.49	3.51	-106.21
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CN=C1OC	REAL300000476539	0	35	-2.0	-98.90	325.25	0.75	-98.15
COC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476540	0	41	-2.0	-108.89	364.41	1.39	-107.50
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CN=C1OC	REAL300000476541	0	39	-2.0	-105.30	351.22	0.69	-104.61
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=CN=C1OC	REAL300000476542	1	43	-2.0	-92.35	375.88	2.21	-90.14
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CN=C1OC	REAL300000476543	0	35	-2.0	-97.44	339.84	2.19	-95.25
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CN=C1OC	REAL300000476544	1	42	-2.0	-91.57	373.39	2.59	-88.98
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CN=C1OC	REAL300000476545	0	38	-2.0	-96.61	342.95	2.42	-94.19
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CN=C1OC	REAL300000476546	0	39	-2.0	-90.88	359.54	1.94	-88.94
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC)C(OC)=C2)C=C1C(=O)[O-]	REAL300000476547	1	42	-2.0	-110.75	371.39	2.58	-108.17
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CN=C1OC	REAL300000476548	0	35	-2.0	-102.21	331.93	1.49	-100.72
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CN=C1OC	REAL300000476549	0	35	-2.0	-90.14	335.29	2.18	-87.96
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CN=C1OC	REAL300000476550	0	35	-2.0	-92.00	326.76	1.65	-90.35
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CN=C1OC	REAL300000476551	0	32	-2.0	-93.81	314.51	0.72	-93.09
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CN=C1OC	REAL300000476552	0	35	-2.0	-95.31	328.65	1.67	-93.64
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CN=C1OC	REAL300000476553	0	38	-2.0	-102.94	348.01	2.30	-100.64
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CN=C1OC	REAL300000476554	0	35	-2.0	-91.52	327.70	1.69	-89.83
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN=C1OC	REAL300000476555	0	35	-2.0	-90.00	334.74	2.01	-87.99
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CN=C1OC	REAL300000476556	0	38	-2.0	-98.24	351.68	2.81	-95.43
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CN=C1OC	REAL300000476557	0	43	-2.0	-89.58	385.98	3.02	-86.56
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476558	0	35	-2.0	-93.82	333.07	1.70	-92.12
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CN=C1OC	REAL300000476559	0	37	-2.0	-89.67	350.44	2.26	-87.41
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CN=C1OC	REAL300000476560	0	36	-2.0	-105.01	331.94	-0.68	-105.69
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CN=C1OC	REAL300000476561	0	38	-2.0	-96.16	344.41	2.38	-93.78
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476562	0	35	-2.0	-95.12	342.96	2.14	-92.98
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CN=C1OC	REAL300000476563	0	38	-2.0	-100.21	332.28	2.23	-97.98
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476564	0	38	-2.0	-103.24	347.09	2.26	-100.98
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CN=C1OC	REAL300000476565	1	38	-2.0	-92.88	337.65	2.39	-90.49
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476566	0	41	-2.0	-107.06	355.13	2.66	-104.40
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476567	0	37	-2.0	-103.18	348.82	2.68	-100.50
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CN=C1OC	REAL300000476568	0	35	-2.0	-93.40	334.00	1.73	-91.67
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CN=C1OC	REAL300000476569	1	41	-2.0	-104.64	355.62	3.01	-101.63
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CN=C1OC	REAL300000476570	0	38	-2.0	-103.83	347.56	2.29	-101.54
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CN=C1OC	REAL300000476571	0	38	-2.0	-102.15	353.99	2.73	-99.42
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CN=C1OC	REAL300000476572	0	38	-2.0	-108.25	347.27	2.30	-105.95
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC)C(OC)=C2)C=C1C(=O)[O-]	REAL300000476573	0	41	-2.0	-105.90	356.52	2.78	-103.12
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC)C(OC)=C2)C=C1CC(=O)[O-]	REAL300000476574	1	42	-2.0	-106.51	372.71	1.73	-104.78
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CN=C1OC	REAL300000476575	0	38	-2.0	-93.74	348.50	2.80	-90.94
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476576	0	38	-2.0	-101.95	353.48	2.55	-99.40
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(OC)C(OC)=C2)C=C1C(=O)[O-]	REAL300000476577	0	39	-2.0	-103.91	350.26	1.83	-102.08
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=CN=C1OC	REAL300000476578	1	47	-2.0	-104.58	387.24	4.47	-100.11
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476579	0	38	-2.0	-98.67	355.98	2.67	-96.00
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CN=C1OC	REAL300000476580	0	38	-2.0	-92.42	338.24	2.15	-90.27
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CN=C1OC	REAL300000476581	0	40	-2.0	-96.94	365.50	3.79	-93.15
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CN=C1OC	REAL300000476582	1	38	-2.0	-103.82	341.78	2.43	-101.39
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CN=C1OC	REAL300000476583	0	37	-2.0	-110.96	345.99	3.46	-107.50
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CN=C1OC	REAL300000476584	0	35	-2.0	-107.68	325.90	1.63	-106.05
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476585	0	38	-2.0	-96.94	347.17	2.29	-94.65
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CN=C1OC	REAL300000476586	0	41	-2.0	-112.18	363.28	3.73	-108.45
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CN=C1OC	REAL300000476587	0	34	-2.0	-101.88	319.23	-0.33	-102.21
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(OC)C(OC)=C1	REAL300000476588	0	39	-2.0	-96.47	350.44	1.41	-95.06
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CN=C1OC	REAL300000476589	0	32	-2.0	-92.65	322.39	0.58	-92.07
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CN=C1OC	REAL300000476590	0	42	-2.0	-99.15	368.36	3.48	-95.67
COC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CN=C1OC	REAL300000476591	0	42	-2.0	-101.33	367.70	3.48	-97.85
CCC1=C(S(=O)(=O)[N-]C2=CN=C(OC)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000476592	0	38	-2.0	-98.99	344.37	1.60	-97.39
CCS(=O)(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000476595	0	41	-2.0	-109.90	372.82	2.15	-107.75
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000476596	0	42	-2.0	-87.85	376.64	2.65	-85.20
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000476597	1	35	-2.0	-104.33	324.71	4.10	-100.23
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)=O	REAL300000476598	0	43	-2.0	-105.93	379.52	5.17	-100.76
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000476599	1	35	-2.0	-93.58	320.14	4.08	-89.50
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000476600	0	35	-2.0	-106.61	320.17	4.07	-102.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)=O	REAL300000476601	0	39	-2.0	-112.63	348.32	3.87	-108.76
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000476602	0	39	-2.0	-93.64	351.35	5.37	-88.27
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000476603	1	38	-2.0	-106.02	335.36	4.62	-101.40
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000476604	0	35	-2.0	-102.83	333.26	4.64	-98.19
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000476605	0	35	-2.0	-102.55	332.68	4.47	-98.08
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000476606	0	41	-2.0	-108.47	354.12	5.37	-103.10
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000476607	0	35	-2.0	-104.17	325.38	4.14	-100.03
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000476608	0	41	-2.0	-93.06	363.47	5.66	-87.40
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000476609	0	32	-2.0	-100.76	313.36	3.09	-97.67
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000476610	0	38	-2.0	-106.73	336.46	4.83	-101.90
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000476611	1	39	-2.0	-92.34	351.24	4.36	-87.98
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000476612	0	36	-2.0	-104.72	326.54	3.43	-101.29
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000476613	1	39	-2.0	-107.60	344.79	2.88	-104.72
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000476614	0	35	-2.0	-95.91	329.30	3.76	-92.15
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000476615	1	41	-2.0	-109.04	355.07	5.49	-103.55
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000476616	0	32	-2.0	-102.29	311.54	3.11	-99.18
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)=O)=CC(C(=O)[O-])=C1OC	REAL300000476617	0	43	-2.0	-106.80	378.48	3.88	-102.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000476618	1	39	-2.0	-112.48	347.18	4.15	-108.33
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000476619	0	45	-2.0	-110.31	376.26	6.68	-103.63
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000476620	0	44	-2.0	-108.71	374.91	6.05	-102.66
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)=O	REAL300000476621	0	41	-2.0	-105.15	350.86	5.77	-99.38
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)=O	REAL300000476622	0	42	-2.0	-112.07	370.33	4.64	-107.43
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000476623	0	37	-3.0	-178.90	348.58	4.64	-174.26
CC(=O)NC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000476623	1	38	-2.0	-109.39	348.80	4.59	-104.80
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000476624	0	42	-2.0	-110.66	364.96	5.96	-104.70
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000476625	0	35	-2.0	-99.85	323.72	3.20	-96.65
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000476626	0	41	-2.0	-111.29	362.36	3.84	-107.45
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000476627	0	39	-2.0	-106.78	349.72	3.15	-103.63
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000476628	1	43	-2.0	-93.39	373.08	4.68	-88.71
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000476629	0	35	-2.0	-99.63	337.75	4.66	-94.97
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000476630	1	39	-2.0	-90.81	367.28	4.90	-85.91
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000476631	1	42	-2.0	-92.65	371.32	5.07	-87.58
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000476632	0	38	-2.0	-97.44	341.72	4.87	-92.57
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000476633	0	39	-2.0	-91.78	357.47	4.42	-87.36
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000476634	1	42	-2.0	-111.34	369.33	5.04	-106.30
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000476635	0	35	-2.0	-103.16	330.72	3.93	-99.23
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000476636	0	35	-2.0	-91.08	333.22	4.64	-86.44
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000476637	0	35	-2.0	-93.07	324.70	4.11	-88.96
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000476638	0	32	-2.0	-94.97	312.45	3.20	-91.77
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000476639	0	35	-2.0	-96.30	326.30	4.15	-92.15
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000476640	0	38	-2.0	-105.49	345.64	4.78	-100.71
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)=O)=C(Cl)C=C1C(=O)[O-]	REAL300000476641	0	39	-2.0	-95.57	360.47	4.70	-90.87
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000476642	0	35	-2.0	-92.61	325.63	4.15	-88.46
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000476643	0	35	-2.0	-91.06	332.67	4.48	-86.58
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000476644	0	38	-2.0	-99.10	350.47	5.25	-93.85
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000476645	0	43	-2.0	-90.82	383.92	5.48	-85.34
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000476646	0	35	-2.0	-95.91	330.72	4.17	-91.74
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000476647	0	37	-2.0	-91.66	348.36	4.74	-86.92
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000476648	0	36	-2.0	-106.08	330.72	1.77	-104.31
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000476649	0	38	-2.0	-97.67	342.34	4.85	-92.82
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000476650	0	35	-2.0	-97.26	340.89	4.60	-92.66
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000476651	0	38	-2.0	-101.25	329.66	4.71	-96.54
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000476652	1	38	-2.0	-103.86	345.02	4.72	-99.14
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000476653	1	38	-2.0	-93.73	336.42	4.83	-88.90
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000476654	1	41	-2.0	-109.37	353.38	5.13	-104.24
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000476655	0	37	-2.0	-103.42	347.57	5.13	-98.29
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000476656	0	35	-2.0	-95.53	331.91	4.20	-91.33
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000476657	1	41	-2.0	-105.77	354.52	5.46	-100.31
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000476658	0	38	-2.0	-106.54	345.90	4.76	-101.78
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000476659	0	38	-2.0	-104.46	351.68	5.21	-99.25
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000476660	0	38	-2.0	-108.40	344.94	4.77	-103.63
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000476661	1	41	-2.0	-106.61	354.68	5.29	-101.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)=O)C=C1CC(=O)[O-]	REAL300000476662	1	42	-2.0	-107.54	370.66	4.20	-103.34
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000476663	0	38	-2.0	-95.84	350.73	5.32	-90.52
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000476664	0	38	-2.0	-102.53	351.39	5.03	-97.50
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000476665	0	39	-2.0	-106.00	348.21	4.28	-101.72
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000476666	0	38	-2.0	-99.76	350.69	5.02	-94.74
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000476667	0	44	-2.0	-102.01	369.23	6.19	-95.82
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)=O)C=C1C(=O)[O-]	REAL300000476668	0	39	-2.0	-108.41	360.50	4.70	-103.71
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000476669	1	38	-2.0	-95.18	339.98	4.68	-90.50
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000476670	0	40	-2.0	-98.58	363.17	6.27	-92.31
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000476671	1	38	-2.0	-104.29	340.66	4.88	-99.41
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000476672	0	37	-2.0	-112.54	344.48	5.92	-106.62
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000476673	0	35	-2.0	-107.57	323.80	4.10	-103.47
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000476674	0	38	-2.0	-98.11	342.02	4.62	-93.49
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000476675	0	41	-2.0	-114.52	360.90	6.20	-108.32
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000476676	0	34	-2.0	-102.82	316.38	2.19	-100.63
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NC(C)=O	REAL300000476677	0	39	-2.0	-97.72	348.37	3.87	-93.85
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000476678	0	32	-2.0	-94.41	320.27	3.04	-91.37
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000476679	0	42	-2.0	-101.02	366.03	5.95	-95.07
CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000476680	0	42	-2.0	-100.81	364.26	5.93	-94.88
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC(C)=O)C=C(C(=O)[O-])O1	REAL300000476681	0	38	-2.0	-99.53	343.12	4.04	-95.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC3=CC=CC=C3)=C2)C=C1	REAL300000476682	1	39	-2.0	-95.45	366.26	9.11	-86.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(SC3=CC=CC=C3)=C2)=C1	REAL300000476683	1	39	-2.0	-108.13	366.29	9.10	-99.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000476684	1	42	-2.0	-109.50	382.37	9.64	-99.86
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(SC3=CC=CC=C3)=C2)=C1	REAL300000476685	0	36	-2.0	-102.34	359.48	8.12	-94.22
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300000476686	1	42	-2.0	-108.79	381.70	9.89	-98.90
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(SC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000476687	0	40	-2.0	-106.46	372.92	8.45	-98.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(SC3=CC=CC=C3)=C2)=CS1	REAL300000476688	0	36	-2.0	-103.80	357.94	8.14	-95.66
CC1=C(S(=O)(=O)[N-]C2=CC=CC(SC3=CC=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000476689	0	39	-2.0	-101.71	369.30	8.25	-93.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC3=CC=CC=C3)=C2)S1	REAL300000476690	0	36	-2.0	-97.33	358.56	8.23	-89.10
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC3=CC=CC=C3)=C2)C=C1	REAL300000476691	1	42	-2.0	-99.43	388.46	9.89	-89.54
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300000476692	1	42	-2.0	-104.78	376.38	9.75	-95.03
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(SC3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000476694	1	42	-2.0	-95.69	382.33	9.66	-86.03
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(SC3=CC=CC=C3)=C2)=C1	REAL300000476695	0	38	-2.0	-104.87	363.26	7.16	-97.71
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000476696	1	38	-2.0	-114.45	356.64	5.70	-108.75
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C12	REAL300000476697	1	38	-2.0	-104.26	352.10	5.68	-98.58
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C12	REAL300000476698	1	38	-2.0	-117.16	352.11	5.67	-111.49
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000476699	1	41	-2.0	-118.31	368.13	6.21	-112.10
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C21	REAL300000476700	0	38	-2.0	-115.03	357.58	5.74	-109.29
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C12	REAL300000476701	0	35	-2.0	-111.21	345.29	4.70	-106.51
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C12	REAL300000476702	1	41	-2.0	-118.92	367.54	6.46	-112.46
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C12	REAL300000476703	0	39	-2.0	-115.38	358.75	5.03	-110.35
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC=C12	REAL300000476704	0	38	-2.0	-107.29	361.22	5.36	-101.93
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C12	REAL300000476705	0	35	-2.0	-112.71	343.76	4.72	-107.99
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C12	REAL300000476706	0	38	-2.0	-111.29	355.12	4.82	-106.47
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C12	REAL300000476707	0	38	-2.0	-114.94	361.80	5.56	-109.38
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000476708	1	38	-2.0	-103.71	356.64	5.71	-98.00
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C12	REAL300000476709	0	35	-2.0	-106.07	344.38	4.80	-101.27
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000476710	1	38	-2.0	-107.84	358.51	5.74	-102.10
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300000476711	0	38	-2.0	-103.59	357.57	5.75	-97.84
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C21	REAL300000476712	0	39	-2.0	-118.08	361.82	3.39	-114.69
COC(=O)C1=CNC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C12	REAL300000476712	1	39	-2.0	-114.76	350.84	4.27	-110.49
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C12	REAL300000476713	1	41	-2.0	-108.03	374.29	6.46	-101.57
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C12	REAL300000476714	1	41	-2.0	-112.69	362.17	6.31	-106.38
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=CC=C12	REAL300000476715	1	41	-2.0	-104.68	367.52	6.45	-98.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)OC)=CNC3=C2)C=C1C(=O)[O-]	REAL300000476716	0	42	-2.0	-116.62	380.14	5.89	-110.73
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C12	REAL300000476717	1	41	-2.0	-104.43	368.12	6.22	-98.21
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000476718	0	38	-2.0	-120.44	355.77	5.71	-114.73
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C12	REAL300000476719	0	37	-2.0	-115.12	349.10	3.73	-111.39
COC(=O)C1=CNC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C21	REAL300000476720	0	35	-2.0	-104.75	352.25	4.65	-100.10
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)OC)=CNC3=C2)C=C(C(=O)[O-])O1	REAL300000476721	0	41	-2.0	-111.27	374.24	5.67	-105.60
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000476722	0	35	-2.0	-104.77	340.16	5.75	-99.02
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000476723	0	35	-2.0	-95.34	335.61	5.72	-89.62
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000476724	0	35	-2.0	-108.58	335.63	5.71	-102.87
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C)=C1OC	REAL300000476725	0	39	-2.0	-113.22	363.78	5.51	-107.71
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000476726	0	39	-2.0	-94.96	367.08	7.01	-87.95
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000476727	0	38	-2.0	-108.72	351.65	6.25	-102.47
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000476728	0	35	-2.0	-103.27	348.71	6.30	-96.97
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000476729	0	35	-2.0	-103.24	348.13	6.11	-97.13
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000476730	0	41	-2.0	-110.29	368.74	7.04	-103.25
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000476731	0	35	-2.0	-105.26	341.11	5.78	-99.48
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000476732	0	41	-2.0	-94.23	379.19	7.30	-86.93
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000476733	0	32	-2.0	-101.91	328.82	4.73	-97.18
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000476734	0	38	-2.0	-108.43	351.07	6.50	-101.93
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000476735	0	39	-2.0	-93.57	366.70	6.00	-87.57
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000476736	0	36	-2.0	-106.73	342.28	5.06	-101.67
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000476737	0	39	-2.0	-110.25	357.07	4.46	-105.79
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000476738	0	35	-2.0	-98.20	342.40	5.31	-92.89
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000476739	0	41	-2.0	-112.18	368.74	7.04	-105.14
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000476740	0	32	-2.0	-103.25	327.28	4.75	-98.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2OC)C=C1C(=O)[O-]	REAL300000476741	0	39	-2.0	-113.27	362.91	5.78	-107.49
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000476742	0	44	-2.0	-110.61	389.53	7.73	-102.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C)=C1OC	REAL300000476743	0	41	-2.0	-107.67	355.84	7.11	-100.56
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C)=C1OC	REAL300000476744	0	42	-2.0	-113.51	386.07	6.27	-107.24
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000476745	0	37	-3.0	-183.78	364.04	6.28	-177.50
COC1=C(C)C=C(Cl)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000476745	1	38	-2.0	-105.94	364.07	6.22	-99.72
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000476746	0	42	-2.0	-114.05	379.88	7.61	-106.44
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000476747	0	35	-2.0	-102.34	336.33	4.76	-97.58
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000476748	0	39	-2.0	-108.10	362.27	4.72	-103.38
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000476749	0	42	-2.0	-94.01	386.79	6.70	-87.31
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000476750	0	38	-2.0	-99.95	354.00	6.44	-93.51
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2OC)C=C1C(=O)[O-]	REAL300000476751	0	42	-2.0	-115.14	384.76	6.69	-108.45
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000476752	0	35	-2.0	-104.87	344.26	5.61	-99.26
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000476753	0	35	-2.0	-92.85	348.69	6.29	-86.56
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000476754	0	35	-2.0	-94.71	340.15	5.76	-88.95
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000476755	0	32	-2.0	-97.35	327.89	4.85	-92.50
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000476756	0	35	-2.0	-99.30	342.03	5.78	-93.52
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000476757	0	38	-2.0	-106.72	361.37	6.41	-100.31
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000476758	0	35	-2.0	-94.97	341.10	5.79	-89.18
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000476759	0	35	-2.0	-92.79	348.12	6.12	-86.67
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000476760	0	35	-2.0	-96.41	346.45	5.81	-90.60
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000476761	0	36	-2.0	-108.29	343.00	3.32	-104.97
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000476762	0	38	-2.0	-99.17	357.80	6.49	-92.68
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000476763	0	38	-2.0	-103.25	343.32	6.27	-96.98
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000476764	0	38	-2.0	-107.32	360.46	6.37	-100.95
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000476765	0	38	-2.0	-95.54	348.70	6.39	-89.15
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000476766	0	41	-2.0	-110.76	368.50	6.78	-103.98
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000476767	0	35	-2.0	-96.89	347.37	5.84	-91.05
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000476768	0	41	-2.0	-107.86	366.82	7.05	-100.81
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000476769	0	38	-2.0	-106.36	357.12	6.32	-100.04
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000476770	0	38	-2.0	-113.33	360.67	6.41	-106.92
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2OC)C=C1C(=O)[O-]	REAL300000476771	0	41	-2.0	-109.38	369.92	6.89	-102.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2OC)C=C1CC(=O)[O-]	REAL300000476772	0	42	-2.0	-109.54	386.09	5.85	-103.69
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2OC)C=C1C(=O)[O-]	REAL300000476773	0	39	-2.0	-107.23	363.66	5.93	-101.30
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000476774	0	38	-2.0	-95.60	351.64	6.26	-89.34
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000476775	0	38	-2.0	-105.63	355.59	6.53	-99.10
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000476776	0	35	-2.0	-111.13	336.92	5.65	-105.48
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000476777	0	38	-2.0	-99.27	356.79	6.29	-92.98
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000476778	0	34	-2.0	-105.48	329.50	3.74	-101.74
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C)=C1OC	REAL300000476779	0	39	-2.0	-99.55	363.84	5.51	-94.04
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000476780	0	32	-2.0	-96.00	333.43	4.59	-91.41
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000476781	0	42	-2.0	-101.75	381.75	7.59	-94.16
COC1=C(C)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000476782	0	42	-2.0	-104.95	379.71	7.58	-97.37
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C)=C2OC)C=C(C(=O)[O-])O1	REAL300000476783	0	38	-2.0	-102.12	352.42	5.51	-96.61
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000476784	0	40	-2.0	-114.35	369.70	5.74	-108.61
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000476785	0	40	-2.0	-104.72	365.18	5.72	-99.00
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000476786	0	40	-2.0	-117.12	365.16	5.71	-111.41
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=N1	REAL300000476787	0	44	-2.0	-122.92	393.34	5.52	-117.40
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000476788	0	44	-2.0	-104.39	396.62	7.00	-97.39
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000476789	0	43	-2.0	-119.72	385.23	6.35	-113.37
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000476790	0	46	-2.0	-119.86	398.27	7.03	-112.83
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000476791	0	40	-2.0	-114.57	370.68	5.77	-108.80
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000476792	0	46	-2.0	-103.67	408.78	7.30	-96.37
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000476793	0	37	-2.0	-111.25	358.38	4.73	-106.52
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000476794	0	43	-2.0	-118.00	380.63	6.48	-111.52
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000476795	0	44	-2.0	-103.01	396.24	5.99	-97.02
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000476796	0	41	-2.0	-115.66	371.84	5.05	-110.61
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000476797	0	44	-2.0	-118.39	389.41	4.52	-113.87
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300000476798	0	40	-2.0	-107.97	374.32	5.39	-102.58
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000476799	0	46	-2.0	-119.32	396.66	7.02	-112.30
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000476800	0	37	-2.0	-112.75	356.81	4.74	-108.01
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000476801	0	44	-2.0	-124.31	392.49	5.78	-118.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)(C)C(=O)OC)C=C1	REAL300000476802	0	46	-2.0	-116.30	395.35	7.43	-108.87
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300000476803	0	40	-2.0	-110.66	368.20	4.85	-105.81
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=N1	REAL300000476804	0	44	-2.0	-119.45	394.15	4.80	-114.65
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000476805	0	43	-2.0	-108.34	385.88	6.51	-101.83
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300000476806	0	40	-2.0	-114.24	373.83	5.60	-108.64
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000476807	0	40	-2.0	-104.11	369.67	5.75	-98.36
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000476808	0	37	-2.0	-106.60	357.42	4.84	-101.76
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000476809	0	40	-2.0	-108.79	371.60	5.77	-103.02
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000476810	0	43	-2.0	-116.03	390.95	6.41	-109.62
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000476811	0	40	-2.0	-104.36	370.64	5.78	-98.58
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000476812	0	41	-2.0	-116.95	374.91	3.44	-113.51
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000476813	0	43	-2.0	-108.45	387.38	6.49	-101.96
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000476814	0	43	-2.0	-114.42	375.23	6.34	-108.08
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000476815	0	43	-2.0	-121.66	390.93	6.51	-115.15
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000476816	0	43	-2.0	-104.77	380.57	6.48	-98.29
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000476817	0	46	-2.0	-120.33	398.66	6.79	-113.54
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000476818	0	46	-2.0	-118.62	399.68	7.08	-111.54
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000476819	0	43	-2.0	-115.79	386.67	6.31	-109.48
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=N1	REAL300000476820	0	43	-2.0	-123.43	390.18	6.40	-117.03
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000476821	0	46	-2.0	-119.04	399.10	6.89	-112.15
CCN1C=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000476822	0	44	-2.0	-116.93	393.18	5.93	-111.00
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000476823	0	43	-2.0	-104.85	381.17	6.25	-98.60
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000476824	0	43	-2.0	-115.07	385.16	6.51	-108.56
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000476825	0	40	-2.0	-122.66	368.80	5.73	-116.93
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000476826	0	43	-2.0	-114.29	387.26	6.43	-107.86
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000476827	0	39	-2.0	-115.07	361.38	3.83	-111.24
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300000476828	0	44	-2.0	-109.20	393.40	5.52	-103.68
COC(=O)C(C)(C)N1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000476829	0	37	-2.0	-109.47	366.20	4.83	-104.64
CCC1=C(S(=O)(=O)[N-]C2=NN(C(C)(C)C(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000476830	0	43	-2.0	-110.56	387.33	5.70	-104.86
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000476831	1	37	-2.0	-100.82	345.38	7.60	-93.22
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000476832	1	37	-2.0	-90.89	340.83	7.57	-83.32
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000476833	1	37	-2.0	-103.35	340.85	7.56	-95.79
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(C)C	REAL300000476834	0	41	-2.0	-109.05	368.99	7.36	-101.69
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000476835	1	41	-2.0	-90.39	372.30	8.86	-81.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)C=C1C(=O)[O-]	REAL300000476836	1	40	-2.0	-104.48	356.87	8.10	-96.38
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000476837	0	37	-2.0	-99.20	353.92	8.14	-91.06
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000476838	1	37	-2.0	-99.12	353.36	7.96	-91.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)=C1C	REAL300000476839	1	43	-2.0	-106.43	373.96	8.89	-97.54
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000476840	0	37	-2.0	-100.86	346.33	7.63	-93.23
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000476841	1	43	-2.0	-89.63	384.42	9.15	-80.48
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000476842	0	34	-2.0	-97.71	334.04	6.58	-91.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(C)C	REAL300000476843	1	40	-2.0	-104.55	356.29	8.35	-96.20
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000476845	0	38	-2.0	-101.67	347.50	6.91	-94.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)=C1	REAL300000476847	0	37	-2.0	-93.79	349.96	7.24	-86.55
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000476849	0	34	-2.0	-99.06	332.50	6.60	-92.46
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(C)C	REAL300000476851	1	46	-2.0	-106.64	394.75	9.57	-97.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(C)C	REAL300000476852	1	43	-2.0	-102.75	368.44	9.17	-93.58
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(C)C	REAL300000476853	0	44	-2.0	-109.04	391.28	8.13	-100.91
CC(C)C1=CC(Cl)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000476854	0	40	-2.0	-107.24	368.08	8.07	-99.17
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000476854	1	39	-3.0	-178.70	369.25	8.13	-170.57
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000476855	1	44	-2.0	-108.76	385.10	9.46	-99.30
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000476856	0	37	-2.0	-97.57	343.86	6.71	-90.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)=C1	REAL300000476857	0	41	-2.0	-103.85	369.77	6.65	-97.20
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(C)C	REAL300000476859	1	40	-2.0	-95.10	361.56	8.38	-86.72
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)C=C(C(=O)[O-])S1	REAL300000476861	1	37	-2.0	-101.01	349.48	7.46	-93.55
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000476862	0	37	-2.0	-88.43	353.90	8.13	-80.30
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000476863	1	37	-2.0	-90.39	345.38	7.61	-82.78
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000476864	0	34	-2.0	-92.64	333.11	6.69	-85.95
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000476865	1	37	-2.0	-94.25	347.27	7.62	-86.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)=C1F	REAL300000476866	0	40	-2.0	-102.34	366.60	8.26	-94.08
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000476867	0	37	-2.0	-90.28	346.31	7.64	-82.64
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000476868	1	37	-2.0	-88.42	353.35	7.97	-80.45
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000476869	1	37	-2.0	-92.37	351.67	7.66	-84.71
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000476870	0	39	-2.0	-88.38	369.04	8.24	-80.14
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000476871	0	38	-2.0	-103.45	350.56	5.28	-98.17
CC(C)C1=CC(Cl)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000476871	1	38	-2.0	-101.82	340.96	6.03	-95.79
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000476872	1	40	-2.0	-94.55	363.02	8.34	-86.21
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(C)C	REAL300000476873	1	40	-2.0	-98.99	350.89	8.19	-90.80
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)=CC(C(=O)[O-])=C1F	REAL300000476874	1	40	-2.0	-102.15	365.68	8.22	-93.93
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000476877	0	39	-2.0	-101.57	367.41	8.65	-92.92
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000476878	0	37	-2.0	-92.47	352.59	7.69	-84.78
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)C=C1C(=O)[O-]	REAL300000476880	0	40	-2.0	-101.98	362.33	8.17	-93.81
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)=C1	REAL300000476881	0	40	-2.0	-107.74	365.88	8.26	-99.48
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)C=C1C(=O)[O-]	REAL300000476882	1	43	-2.0	-105.18	374.82	8.75	-96.43
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)C=C1C(=O)[O-]	REAL300000476884	0	41	-2.0	-102.90	368.87	7.79	-95.11
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)=CC=C1C(=O)[O-]	REAL300000476885	1	40	-2.0	-92.53	360.90	8.21	-84.32
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000476887	0	39	-2.0	-109.83	364.58	9.41	-100.42
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000476888	0	37	-2.0	-106.95	344.49	7.59	-99.36
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)C=C1C(=O)[O-]	REAL300000476889	1	40	-2.0	-95.07	362.01	8.14	-86.93
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000476890	0	36	-2.0	-101.09	337.07	5.68	-95.41
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C(C)C	REAL300000476891	0	41	-2.0	-95.08	369.05	7.36	-87.72
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000476892	0	34	-2.0	-91.40	340.95	6.55	-84.85
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000476893	1	44	-2.0	-97.58	386.98	9.45	-88.13
CC(C)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000476894	1	44	-2.0	-99.54	384.94	9.43	-90.11
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000476895	0	40	-2.0	-97.36	361.91	7.51	-89.85
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000476896	1	47	-2.0	-90.05	400.78	6.16	-83.89
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000476897	1	40	-2.0	-106.79	348.87	7.61	-99.18
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000476898	0	48	-2.0	-107.84	403.94	8.67	-99.17
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000476900	1	40	-2.0	-109.58	344.33	7.57	-102.01
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000476901	0	44	-2.0	-115.02	372.47	7.36	-107.66
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000476902	1	44	-2.0	-96.12	375.77	8.87	-87.25
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000476904	0	40	-2.0	-104.90	357.40	8.15	-96.75
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000476905	1	40	-2.0	-105.28	356.84	7.97	-97.31
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000476906	1	46	-2.0	-112.41	377.00	8.92	-103.49
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000476907	0	40	-2.0	-106.71	349.80	7.64	-99.07
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000476908	1	46	-2.0	-95.50	387.89	9.17	-86.33
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000476909	0	37	-2.0	-103.56	337.51	6.59	-96.97
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000476910	1	43	-2.0	-110.18	359.76	8.36	-101.82
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000476912	1	41	-2.0	-107.82	350.97	6.92	-100.90
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000476914	0	40	-2.0	-99.62	353.43	7.25	-92.37
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000476916	0	37	-2.0	-105.14	335.98	6.61	-98.53
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000476917	1	48	-2.0	-109.67	402.67	7.39	-102.28
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000476919	1	50	-2.0	-114.25	399.57	10.20	-104.05
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000476920	1	49	-2.0	-112.48	398.23	9.58	-102.90
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)CC)=C1	REAL300000476921	1	46	-2.0	-108.43	374.50	9.29	-99.14
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000476922	0	47	-2.0	-114.82	394.76	8.13	-106.69
CCC(C)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000476923	0	43	-2.0	-108.50	379.25	8.01	-100.49
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000476923	1	42	-3.0	-185.41	372.74	8.14	-177.27
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000476924	1	47	-2.0	-114.67	388.57	9.47	-105.20
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000476925	0	40	-2.0	-102.96	347.34	6.71	-96.25
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000476926	1	46	-2.0	-114.42	386.50	7.35	-107.07
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000476927	0	44	-2.0	-111.03	373.24	6.67	-104.36
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000476929	0	40	-2.0	-101.37	361.91	8.17	-93.20
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000476930	1	44	-2.0	-93.25	391.43	8.39	-84.86
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000476932	1	43	-2.0	-100.54	365.04	8.39	-92.15
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000476933	1	44	-2.0	-94.15	381.63	7.91	-86.24
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000476935	1	40	-2.0	-106.27	354.02	7.46	-98.81
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000476936	0	40	-2.0	-94.10	357.38	8.14	-85.96
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000476937	1	40	-2.0	-95.94	348.85	7.62	-88.32
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000476938	0	37	-2.0	-98.32	336.60	6.70	-91.62
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000476939	1	40	-2.0	-100.23	350.74	7.63	-92.60
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000476940	0	43	-2.0	-108.18	370.08	8.27	-99.91
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000476941	0	44	-2.0	-98.81	384.63	8.20	-90.61
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000476942	0	40	-2.0	-96.12	349.79	7.65	-88.47
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000476943	1	40	-2.0	-94.15	356.82	7.98	-86.17
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000476944	1	43	-2.0	-102.31	373.77	8.77	-93.54
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000476945	1	48	-2.0	-92.82	408.06	8.99	-83.83
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000476946	1	40	-2.0	-98.11	355.15	7.67	-90.44
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000476947	1	42	-2.0	-94.10	372.52	8.24	-85.86
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000476948	0	41	-2.0	-108.99	354.03	5.28	-103.71
CCC(C)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000476948	1	41	-2.0	-106.14	353.13	6.16	-99.98
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000476949	1	43	-2.0	-100.19	366.49	8.36	-91.83
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000476950	1	40	-2.0	-99.67	365.04	8.11	-91.56
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000476951	1	43	-2.0	-105.81	354.39	8.20	-97.61
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000476952	1	43	-2.0	-108.09	369.16	8.23	-99.86
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000476955	0	42	-2.0	-107.20	370.90	8.66	-98.54
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000476956	0	40	-2.0	-98.16	356.08	7.70	-90.46
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000476958	0	43	-2.0	-109.07	369.64	8.26	-100.81
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000476959	0	43	-2.0	-106.72	376.09	8.70	-98.02
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000476960	0	43	-2.0	-114.75	369.36	8.27	-106.48
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000476963	1	43	-2.0	-98.82	370.59	8.75	-90.07
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000476964	1	43	-2.0	-107.02	375.54	8.53	-98.49
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000476965	1	44	-2.0	-109.23	372.46	7.79	-101.44
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000476967	1	43	-2.0	-103.97	378.07	8.64	-95.33
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000476968	0	49	-2.0	-106.14	393.76	9.71	-96.43
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000476969	0	44	-2.0	-110.51	384.65	8.21	-102.30
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000476971	0	45	-2.0	-102.18	387.59	9.77	-92.41
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000476973	0	42	-2.0	-117.04	368.05	9.43	-107.61
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000476974	0	40	-2.0	-113.98	347.98	7.61	-106.37
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000476975	1	43	-2.0	-102.02	369.27	8.25	-93.77
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000476976	1	46	-2.0	-118.06	385.37	9.70	-108.36
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000476977	0	39	-2.0	-106.51	341.31	5.63	-100.88
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000476978	0	44	-2.0	-101.15	372.52	7.38	-93.77
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000476979	0	37	-2.0	-96.79	344.47	6.55	-90.24
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000476980	1	47	-2.0	-103.29	390.45	9.46	-93.83
CCC(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000476981	1	47	-2.0	-107.33	389.77	9.45	-97.88
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)CC)=C2)C=C(C(=O)[O-])O1	REAL300000476982	0	43	-2.0	-102.83	366.46	7.56	-95.27
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)C=C12	REAL300000476983	1	42	-2.0	-94.98	375.52	4.31	-90.67
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C12	REAL300000476984	1	35	-2.0	-112.02	323.59	5.75	-106.27
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=C(C)C2=C1	REAL300000476985	0	43	-2.0	-112.77	378.68	6.81	-105.96
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C12	REAL300000476986	1	35	-2.0	-101.92	319.03	5.73	-96.19
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C12	REAL300000476987	1	35	-2.0	-114.88	319.06	5.72	-109.16
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=C(C)C2=C1	REAL300000476988	0	39	-2.0	-120.24	347.20	5.52	-114.72
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C12	REAL300000476989	1	39	-2.0	-101.16	350.51	7.02	-94.14
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000476990	1	38	-2.0	-116.23	335.07	6.25	-109.98
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C12	REAL300000476991	0	35	-2.0	-109.94	332.13	6.29	-103.65
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C12	REAL300000476992	1	35	-2.0	-110.55	331.57	6.11	-104.44
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C=C3Cl)C=C12	REAL300000476993	0	35	-2.0	-105.43	344.63	6.67	-98.76
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=C(C)C(C)=CC(C(=O)[O-])=C3)C=C12	REAL300000476994	1	41	-2.0	-117.40	351.73	7.07	-110.33
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C12	REAL300000476995	0	35	-2.0	-111.94	324.54	5.78	-106.16
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C12	REAL300000476996	1	41	-2.0	-100.37	362.62	7.30	-93.07
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C12	REAL300000476997	0	32	-2.0	-108.88	312.24	4.73	-104.15
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C12	REAL300000476998	1	38	-2.0	-115.11	334.49	6.51	-108.60
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C12	REAL300000477000	0	36	-2.0	-113.26	325.71	5.07	-108.19
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C12	REAL300000477002	0	35	-2.0	-104.98	328.17	5.41	-99.57
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C12	REAL300000477004	0	32	-2.0	-110.34	310.71	4.76	-105.58
COC1=CC(S(=O)(=O)[N-]C2=CC=C3NC=C(C)C3=C2)=CC(C(=O)[O-])=C1OC	REAL300000477005	1	43	-2.0	-115.24	377.37	5.53	-109.71
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)C=C12	REAL300000477007	1	45	-2.0	-119.29	374.30	8.35	-110.94
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)C=C12	REAL300000477008	1	44	-2.0	-117.53	372.96	7.73	-109.80
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=C(C)C2=C1	REAL300000477009	1	41	-2.0	-113.06	349.19	7.45	-105.61
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=C(C)C2=C1	REAL300000477010	0	42	-2.0	-119.81	369.49	6.29	-113.52
CC1=CNC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C12	REAL300000477011	0	38	-2.0	-112.21	350.18	6.25	-105.96
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C12	REAL300000477011	1	37	-3.0	-191.69	347.46	6.28	-185.41
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C12	REAL300000477012	1	42	-2.0	-119.69	363.31	7.62	-112.07
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C12	REAL300000477013	0	35	-2.0	-107.98	322.07	4.87	-103.11
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)C=C12	REAL300000477014	1	41	-2.0	-119.69	361.24	5.49	-114.20
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C12	REAL300000477015	0	39	-2.0	-115.96	348.04	4.82	-111.14
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)C=C12	REAL300000477016	1	43	-2.0	-100.62	371.98	6.32	-94.30
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(Cl)C(C(=O)[O-])=C3)C=C12	REAL300000477017	1	35	-2.0	-104.17	346.75	6.57	-97.60
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=C12	REAL300000477018	0	35	-2.0	-106.35	336.66	6.31	-100.04
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)C=C12	REAL300000477019	1	39	-2.0	-98.29	366.16	6.54	-91.75
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C12	REAL300000477021	1	38	-2.0	-105.46	339.77	6.55	-98.91
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=C12	REAL300000477022	1	39	-2.0	-99.15	356.35	6.07	-93.08
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C12	REAL300000477024	0	35	-2.0	-111.30	328.75	5.61	-105.69
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3Cl)C=C12	REAL300000477025	0	35	-2.0	-103.62	347.28	6.74	-96.88
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C12	REAL300000477026	0	35	-2.0	-99.34	332.11	6.28	-93.06
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C12	REAL300000477027	1	35	-2.0	-101.15	323.59	5.76	-95.39
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C12	REAL300000477028	0	32	-2.0	-103.69	311.33	4.84	-98.85
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C12	REAL300000477029	1	35	-2.0	-105.44	325.46	5.79	-99.65
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=C(F)C(C)=CC(C(=O)[O-])=C3)C=C12	REAL300000477030	0	38	-2.0	-113.47	344.83	6.42	-107.05
COC1=CC(S(=O)(=O)[N-]C2=CC=C3NC=C(C)C3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000477031	0	39	-2.0	-104.01	359.37	6.34	-97.67
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C12	REAL300000477032	0	35	-2.0	-101.55	324.52	5.79	-95.76
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C12	REAL300000477033	1	35	-2.0	-99.35	331.56	6.12	-93.23
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)C=C12	REAL300000477034	1	38	-2.0	-107.21	348.50	6.93	-100.28
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)C=C12	REAL300000477035	1	43	-2.0	-97.74	382.80	7.13	-90.61
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C12	REAL300000477036	1	35	-2.0	-103.30	329.89	5.81	-97.49
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C12	REAL300000477037	0	37	-2.0	-99.42	347.26	6.39	-93.03
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C12	REAL300000477038	0	36	-2.0	-113.87	328.77	3.43	-110.44
CC1=CNC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C12	REAL300000477038	1	36	-2.0	-110.77	327.98	4.23	-106.54
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C12	REAL300000477039	1	38	-2.0	-105.35	341.23	6.50	-98.85
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=C12	REAL300000477040	1	35	-2.0	-104.85	339.78	6.25	-98.60
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C12	REAL300000477041	1	38	-2.0	-111.25	329.10	6.36	-104.89
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C(C)=C3)C=C12	REAL300000477042	1	38	-2.0	-113.48	343.91	6.37	-107.11
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C(C)=C3)C=C12	REAL300000477044	1	41	-2.0	-119.46	356.56	6.92	-112.54
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=C12	REAL300000477045	0	37	-2.0	-112.53	345.61	6.82	-105.71
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C12	REAL300000477046	0	35	-2.0	-103.45	330.81	5.85	-97.60
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=C(F)C=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000477048	0	38	-2.0	-114.34	344.37	6.42	-107.92
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=C(Cl)C(C)=CC(C(=O)[O-])=C3)C=C12	REAL300000477049	0	38	-2.0	-111.83	350.80	6.86	-104.97
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C12	REAL300000477050	0	38	-2.0	-120.37	344.09	6.41	-113.96
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000477051	1	41	-2.0	-116.97	353.03	6.91	-110.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=C(C)C3=C2)C=C1CC(=O)[O-]	REAL300000477052	1	42	-2.0	-117.87	369.53	5.85	-112.02
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)C=C12	REAL300000477053	1	38	-2.0	-104.26	345.32	6.90	-97.36
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)C=C12	REAL300000477054	1	38	-2.0	-98.32	349.18	6.52	-91.80
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C(C)=C3)C=C12	REAL300000477055	1	38	-2.0	-112.40	350.30	6.68	-105.72
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000477056	0	39	-2.0	-114.56	347.08	5.93	-108.63
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000477058	1	38	-2.0	-109.31	352.80	6.79	-102.52
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)C=C12	REAL300000477059	0	44	-2.0	-110.86	368.50	7.85	-103.01
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3NC=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000477060	0	39	-2.0	-115.47	359.38	6.35	-109.12
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C12	REAL300000477061	1	38	-2.0	-102.08	335.07	6.26	-95.82
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])C=C12	REAL300000477062	0	40	-2.0	-107.71	362.33	7.91	-99.80
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C12	REAL300000477063	1	38	-2.0	-112.14	339.01	6.54	-105.60
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=C12	REAL300000477064	0	37	-2.0	-122.65	342.80	7.57	-115.08
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C12	REAL300000477065	0	35	-2.0	-119.52	322.72	5.76	-113.76
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000477066	1	38	-2.0	-107.40	343.99	6.40	-101.00
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C12	REAL300000477067	1	41	-2.0	-123.42	360.10	7.84	-115.58
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C12	REAL300000477068	0	34	-2.0	-112.66	315.28	3.85	-108.81
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC=C(C)C2=C1	REAL300000477069	0	39	-2.0	-106.39	347.26	5.52	-100.87
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C12	REAL300000477070	0	32	-2.0	-101.88	319.20	4.70	-97.18
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C12	REAL300000477071	1	42	-2.0	-108.45	365.18	7.61	-100.84
CC1=CNC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C12	REAL300000477072	1	42	-2.0	-112.99	364.50	7.61	-105.38
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC=C(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000477073	0	38	-2.0	-107.68	341.18	5.72	-101.96
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C12	REAL300000477074	1	37	-2.0	-101.00	341.20	4.70	-96.30
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C12	REAL300000477076	1	37	-2.0	-103.17	336.66	4.66	-98.51
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)C=C(C)C2=C1	REAL300000477077	0	41	-2.0	-108.79	363.48	4.40	-104.39
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C12	REAL300000477078	1	41	-2.0	-91.27	368.12	5.96	-85.31
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C12	REAL300000477080	0	37	-2.0	-99.37	348.40	5.18	-94.19
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C12	REAL300000477081	1	37	-2.0	-99.18	349.18	5.06	-94.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)C=C(C)C3=C2)=C1C	REAL300000477082	1	43	-2.0	-106.74	369.34	6.01	-100.73
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C12	REAL300000477083	0	37	-2.0	-100.68	340.81	4.67	-96.01
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C12	REAL300000477084	1	43	-2.0	-90.40	380.23	6.26	-84.14
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C12	REAL300000477085	0	34	-2.0	-97.82	329.85	3.69	-94.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)C=C(C)C2=C1	REAL300000477086	1	40	-2.0	-104.78	350.77	5.40	-99.38
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C12	REAL300000477088	1	38	-2.0	-101.69	343.31	4.01	-97.68
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC(=O)C=C(C)C3=C2)=C1	REAL300000477090	0	37	-2.0	-94.08	345.77	4.35	-89.73
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C12	REAL300000477092	0	34	-2.0	-99.15	328.31	3.71	-95.44
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)C=C(C)C2=C1	REAL300000477094	1	43	-2.0	-103.37	365.47	6.33	-97.04
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C12	REAL300000477095	1	44	-2.0	-108.53	380.91	6.56	-101.97
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C=C(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000477096	0	37	-2.0	-98.03	339.67	3.81	-94.22
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C=C(C)C3=C2)=C1	REAL300000477097	0	41	-2.0	-104.05	365.65	3.75	-100.30
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C12	REAL300000477098	1	40	-2.0	-95.50	357.37	5.48	-90.02
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C=C(C)C3=C2)C=C(C(=O)[O-])S1	REAL300000477099	1	37	-2.0	-101.39	343.93	4.50	-96.89
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C12	REAL300000477100	0	37	-2.0	-89.10	349.71	5.23	-83.87
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C12	REAL300000477101	1	37	-2.0	-91.23	341.18	4.70	-86.53
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C12	REAL300000477102	0	34	-2.0	-92.98	328.93	3.79	-89.19
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C12	REAL300000477103	1	37	-2.0	-94.36	343.07	4.73	-89.63
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=C(F)C(C)=CC(C(=O)[O-])=C3)C=C12	REAL300000477104	0	40	-2.0	-101.91	362.41	5.36	-96.55
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C12	REAL300000477105	0	37	-2.0	-90.61	342.13	4.74	-85.87
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C12	REAL300000477106	1	37	-2.0	-89.13	349.16	5.07	-84.06
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C12	REAL300000477107	1	37	-2.0	-92.84	347.48	4.76	-88.08
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C12	REAL300000477108	0	38	-2.0	-103.89	345.05	2.32	-101.57
CC1=CC(=O)NC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C12	REAL300000477108	1	38	-2.0	-102.58	335.40	3.26	-99.32
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C12	REAL300000477109	1	40	-2.0	-94.88	358.83	5.45	-89.43
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C12	REAL300000477110	1	40	-2.0	-99.20	345.39	5.24	-93.96
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C12	REAL300000477114	0	37	-2.0	-92.43	348.42	4.79	-87.64
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000477116	0	40	-2.0	-101.63	356.81	5.21	-96.42
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C=C(C)C3=C2)=C1	REAL300000477117	0	40	-2.0	-107.32	361.69	5.36	-101.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000477119	1	41	-2.0	-102.92	364.67	4.88	-98.04
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C12	REAL300000477122	0	37	-2.0	-106.59	340.32	4.70	-101.89
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C12	REAL300000477123	1	40	-2.0	-95.95	361.60	5.34	-90.61
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C12	REAL300000477124	0	36	-2.0	-100.85	333.65	2.72	-98.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)C=C(C)C2=C1	REAL300000477125	0	41	-2.0	-95.44	364.86	4.46	-90.98
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C12	REAL300000477126	0	34	-2.0	-91.80	336.81	3.64	-88.16
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C12	REAL300000477127	1	44	-2.0	-97.95	382.79	6.55	-91.40
CC1=CC(=O)NC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C12	REAL300000477128	1	44	-2.0	-100.18	382.10	6.55	-93.63
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C=C(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000477129	0	40	-2.0	-98.01	358.79	4.66	-93.35
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)=C1	REAL300000477135	0	43	-2.0	-108.75	372.55	7.64	-101.11
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)=C1	REAL300000477136	0	40	-2.0	-105.37	360.27	6.59	-98.78
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)C=C1C(=O)[O-]	REAL300000477138	1	44	-2.0	-109.63	373.76	6.92	-102.71
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)=C1	REAL300000477139	0	43	-2.0	-101.38	376.23	7.26	-94.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)=CS1	REAL300000477140	1	40	-2.0	-106.85	358.77	6.61	-100.24
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)C=C(C(=O)[O-])O1	REAL300000477141	0	43	-2.0	-105.08	370.13	6.71	-98.37
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)C=C(C(=O)[O-])S1	REAL300000477142	1	43	-2.0	-108.78	375.72	7.45	-101.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)S1	REAL300000477144	0	40	-2.0	-100.15	359.39	6.70	-93.45
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)=C1	REAL300000477145	1	43	-2.0	-101.93	373.53	7.63	-94.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)C(F)=C1	REAL300000477146	0	43	-2.0	-97.78	372.54	7.64	-90.14
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)=C1	REAL300000477147	0	44	-2.0	-111.64	376.80	5.29	-106.35
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3OC4(CCC4)CCC3=C2)=C1	REAL300000477147	1	44	-2.0	-109.67	375.87	6.16	-103.51
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)C=C1C(=O)[O-]	REAL300000477151	1	47	-2.0	-110.94	395.14	7.78	-103.16
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)=C1F	REAL300000477153	0	43	-2.0	-115.19	370.74	7.61	-107.58
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)=C1	REAL300000477154	0	42	-2.0	-108.81	364.06	5.63	-103.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)=C(Cl)O1	REAL300000477155	0	40	-2.0	-98.74	367.27	6.55	-92.19
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC4(CCC4)CCC3=C2)C=C(C(=O)[O-])O1	REAL300000477156	0	46	-2.0	-105.13	389.25	7.56	-97.57
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000477157	0	39	-2.0	-106.90	355.66	2.67	-104.23
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(OC)=C1	REAL300000477158	0	39	-2.0	-97.19	351.11	2.64	-94.55
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(OC)=C1	REAL300000477159	0	39	-2.0	-109.18	351.13	2.63	-106.55
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(OC)=C1	REAL300000477160	0	43	-2.0	-113.70	379.28	2.43	-111.27
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(OC)=C1	REAL300000477161	0	43	-2.0	-96.55	382.58	3.93	-92.62
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000477162	0	42	-2.0	-110.25	367.15	3.17	-107.08
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(OC)=C1	REAL300000477163	0	39	-2.0	-104.15	364.21	3.21	-100.94
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000477164	0	39	-2.0	-105.14	363.64	3.03	-102.11
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(OC)=C1	REAL300000477165	0	45	-2.0	-110.99	384.24	3.96	-107.03
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(OC)=C1	REAL300000477166	0	39	-2.0	-105.82	356.61	2.70	-103.12
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(OC)=C1	REAL300000477167	0	45	-2.0	-95.56	394.70	4.23	-91.33
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(OC)=C1	REAL300000477168	0	36	-2.0	-103.69	344.32	1.66	-102.03
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(OC)=C1	REAL300000477169	0	42	-2.0	-109.24	366.57	3.42	-105.82
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(OC)=C1	REAL300000477170	0	43	-2.0	-95.23	382.20	2.92	-92.31
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000477171	0	40	-2.0	-107.66	357.78	1.99	-105.67
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(OC)=C1	REAL300000477172	0	43	-2.0	-109.84	374.91	1.47	-108.37
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(OC)=C1	REAL300000477173	0	39	-2.0	-99.93	360.24	2.32	-97.61
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(OC)=C1	REAL300000477174	0	45	-2.0	-110.33	382.58	3.95	-106.38
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(OC)=C1	REAL300000477175	0	36	-2.0	-105.03	342.78	1.68	-103.35
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000477176	0	43	-2.0	-115.03	378.42	2.70	-112.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC)C=C1OC	REAL300000477177	0	45	-2.0	-107.25	381.26	4.36	-102.89
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(OC)=C1	REAL300000477178	0	39	-2.0	-102.83	354.14	1.78	-101.05
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(OC)=C1	REAL300000477179	0	43	-2.0	-111.11	380.06	1.73	-109.38
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(OC)=C1	REAL300000477180	0	42	-2.0	-100.15	371.84	3.45	-96.70
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(OC)=C1	REAL300000477181	0	39	-2.0	-105.90	359.76	2.54	-103.36
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(OC)=C1	REAL300000477182	0	39	-2.0	-94.71	364.19	3.20	-91.51
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(OC)=C1	REAL300000477183	0	39	-2.0	-96.79	355.67	2.68	-94.11
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(OC)=C1	REAL300000477184	0	36	-2.0	-98.74	343.40	1.77	-96.97
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(OC)=C1	REAL300000477185	0	39	-2.0	-100.28	357.55	2.70	-97.58
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(OC)=C1	REAL300000477186	0	42	-2.0	-107.26	376.87	3.33	-103.93
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(OC)=C1	REAL300000477187	0	39	-2.0	-96.63	356.60	2.71	-93.92
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(OC)=C1	REAL300000477188	0	39	-2.0	-94.82	363.64	3.04	-91.78
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(OC)=C1	REAL300000477189	0	40	-2.0	-107.74	360.85	0.34	-107.40
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(OC)=C1	REAL300000477190	0	42	-2.0	-99.80	373.30	3.42	-96.38
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(OC)=C1	REAL300000477191	0	42	-2.0	-105.97	361.17	3.26	-102.71
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000477192	0	42	-2.0	-108.26	375.96	3.29	-104.97
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(OC)=C1	REAL300000477193	0	42	-2.0	-97.22	366.54	3.41	-93.81
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000477194	0	45	-2.0	-112.12	384.01	3.70	-108.42
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(OC)=C1	REAL300000477195	0	45	-2.0	-110.12	385.61	4.01	-106.11
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(OC)=C1	REAL300000477196	0	42	-2.0	-106.84	372.61	3.24	-103.60
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(OC)=C1	REAL300000477197	0	42	-2.0	-114.74	376.16	3.33	-111.41
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC)C=C2OC)C=C1C(=O)[O-]	REAL300000477198	0	45	-2.0	-110.90	385.10	3.82	-107.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC)C=C2OC)C=C1C(=O)[O-]	REAL300000477199	0	43	-2.0	-108.90	379.16	2.86	-106.04
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(OC)=C1	REAL300000477200	0	42	-2.0	-98.78	371.20	3.28	-95.50
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(OC)=C1	REAL300000477201	0	42	-2.0	-106.78	371.08	3.44	-103.34
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(OC)=C1	REAL300000477202	0	39	-2.0	-113.94	354.77	2.66	-111.28
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(OC)=C1	REAL300000477203	0	42	-2.0	-100.97	372.30	3.21	-97.76
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(OC)=C1	REAL300000477204	0	38	-2.0	-106.89	347.34	0.77	-106.12
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(OC)=C1	REAL300000477205	0	43	-2.0	-101.08	379.33	2.43	-98.65
CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(OC)=C1	REAL300000477206	0	36	-2.0	-97.06	351.23	1.62	-95.44
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC)C=C2OC)C=C(C(=O)[O-])O1	REAL300000477207	0	42	-2.0	-102.40	373.25	2.63	-99.77
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300000477208	1	36	-2.0	-106.30	338.71	4.52	-101.78
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300000477210	1	36	-2.0	-108.81	334.18	4.49	-104.32
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1OC(F)F	REAL300000477211	1	40	-2.0	-96.45	365.64	5.78	-90.67
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1OC(F)F	REAL300000477213	0	36	-2.0	-106.27	339.65	4.55	-101.72
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1OC(F)F	REAL300000477214	0	33	-2.0	-103.06	327.36	3.50	-99.56
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1OC(F)F	REAL300000477215	1	39	-2.0	-110.24	349.61	5.27	-104.97
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300000477216	1	37	-2.0	-107.22	340.83	3.83	-103.39
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1OC(F)F	REAL300000477217	0	36	-2.0	-99.24	343.30	4.16	-95.08
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300000477218	0	33	-2.0	-104.56	325.83	3.52	-101.04
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300000477219	0	36	-2.0	-103.08	337.19	3.62	-99.46
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300000477220	1	36	-2.0	-106.71	342.78	4.38	-102.33
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1OC(F)F	REAL300000477221	1	36	-2.0	-95.99	338.70	4.53	-91.46
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1OC(F)F	REAL300000477222	0	33	-2.0	-98.09	326.45	3.62	-94.47
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300000477223	1	36	-2.0	-99.65	340.58	4.55	-95.10
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1OC(F)F	REAL300000477224	0	36	-2.0	-95.84	339.65	4.56	-91.28
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1OC(F)F	REAL300000477225	0	37	-2.0	-109.30	343.89	2.20	-107.10
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1OC(F)F	REAL300000477225	1	37	-2.0	-108.24	343.08	3.01	-105.23
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1OC(F)F	REAL300000477226	1	39	-2.0	-100.36	356.35	5.27	-95.09
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1OC(F)F	REAL300000477227	1	39	-2.0	-104.72	344.25	5.13	-99.59
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(OC)=C2)C=C1C(=O)[O-]	REAL300000477229	1	40	-2.0	-108.48	362.19	4.70	-103.78
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1OC(F)F	REAL300000477231	0	36	-2.0	-112.46	337.84	4.52	-107.94
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1OC(F)F	REAL300000477232	0	35	-2.0	-106.33	331.17	2.54	-103.79
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300000477233	0	33	-2.0	-96.80	334.33	3.47	-93.33
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000477234	0	39	-2.0	-103.08	356.31	4.47	-98.61
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)N=N1	REAL300000477235	1	37	-2.0	-119.41	346.26	5.16	-114.25
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)N=N1	REAL300000477236	1	37	-2.0	-109.27	341.74	5.14	-104.13
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)N=N1	REAL300000477237	1	37	-2.0	-122.07	341.76	5.13	-116.94
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN(C)N=N2)=C1	REAL300000477238	0	41	-2.0	-126.60	369.85	4.93	-121.67
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)N=N1	REAL300000477239	1	41	-2.0	-108.16	373.23	6.43	-101.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)C=C1C(=O)[O-]	REAL300000477240	1	40	-2.0	-123.42	357.73	5.67	-117.75
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C2)N=N1	REAL300000477241	0	37	-2.0	-116.53	354.78	5.71	-110.82
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2)N=N1	REAL300000477242	1	37	-2.0	-117.89	354.23	5.53	-112.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)=C1C	REAL300000477243	1	43	-2.0	-123.58	374.44	6.48	-117.10
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)N=N1	REAL300000477244	0	37	-2.0	-118.61	347.18	5.20	-113.41
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2)N=N1	REAL300000477245	1	43	-2.0	-107.27	385.32	6.73	-100.54
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)N=N1	REAL300000477246	0	34	-2.0	-116.19	334.95	4.15	-112.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN(C)N=N2)=C1	REAL300000477247	1	40	-2.0	-121.49	357.14	5.92	-115.57
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)N=N1	REAL300000477249	0	38	-2.0	-120.53	348.36	4.49	-116.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)=C1	REAL300000477251	0	37	-2.0	-112.46	350.88	4.82	-107.64
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)N=N1	REAL300000477253	0	34	-2.0	-117.72	333.36	4.17	-113.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN(C)N=N2)=C1	REAL300000477255	1	43	-2.0	-119.29	371.85	6.85	-112.44
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C2)N=N1	REAL300000477256	1	44	-2.0	-125.88	386.01	7.03	-118.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)C=C(C(=O)[O-])O1	REAL300000477257	0	37	-2.0	-114.85	344.71	4.27	-110.58
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)=C1	REAL300000477258	0	41	-2.0	-123.67	370.74	4.22	-119.45
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN(C)N=N2)=C1	REAL300000477259	1	40	-2.0	-112.04	362.47	5.95	-106.09
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)C=C(C(=O)[O-])S1	REAL300000477260	0	37	-2.0	-118.06	350.31	5.02	-113.04
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2)N=N1	REAL300000477261	0	37	-2.0	-106.64	354.81	5.70	-100.94
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)N=N1	REAL300000477262	1	37	-2.0	-108.69	346.23	5.17	-103.52
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)N=N1	REAL300000477263	0	34	-2.0	-111.15	333.98	4.26	-106.89
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)N=N1	REAL300000477264	1	37	-2.0	-112.84	348.11	5.19	-107.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)=C1F	REAL300000477265	0	40	-2.0	-120.07	367.53	5.84	-114.23
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)N=N1	REAL300000477266	0	37	-2.0	-109.01	347.23	5.21	-103.80
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2)N=N1	REAL300000477267	1	37	-2.0	-106.76	354.20	5.54	-101.22
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C2)N=N1	REAL300000477268	1	37	-2.0	-110.80	352.58	5.23	-105.57
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)N=N1	REAL300000477269	0	38	-2.0	-119.88	351.42	2.85	-117.03
CN1C=C(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)N=N1	REAL300000477269	1	38	-2.0	-116.24	340.50	3.73	-112.51
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)N=N1	REAL300000477270	1	40	-2.0	-111.92	363.92	5.92	-106.00
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN(C)N=N2)=C1	REAL300000477271	1	40	-2.0	-119.39	351.78	5.77	-113.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)=CC(C(=O)[O-])=C1F	REAL300000477272	1	40	-2.0	-120.88	366.54	5.79	-115.09
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)=CC(C(=O)[O-])=C1C	REAL300000477274	1	43	-2.0	-126.98	378.51	6.30	-120.68
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2)N=N1	REAL300000477275	0	37	-2.0	-110.29	353.52	5.26	-105.03
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)C=C1C(=O)[O-]	REAL300000477277	0	40	-2.0	-120.88	367.08	5.83	-115.05
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)=C1	REAL300000477278	0	40	-2.0	-128.80	366.80	5.83	-122.97
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)C=C1C(=O)[O-]	REAL300000477279	1	43	-2.0	-124.17	375.95	6.32	-117.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)C=C1C(=O)[O-]	REAL300000477280	0	41	-2.0	-121.89	369.73	5.36	-116.53
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)=CC=C1C(=O)[O-]	REAL300000477281	1	40	-2.0	-109.60	357.71	5.68	-103.92
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN(C)N=N2)=C1	REAL300000477282	1	40	-2.0	-118.85	361.30	5.97	-112.88
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)N=N1	REAL300000477283	0	37	-2.0	-127.85	345.32	5.16	-122.69
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)C=C1C(=O)[O-]	REAL300000477284	1	40	-2.0	-114.91	366.70	5.81	-109.10
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)N=N1	REAL300000477285	0	36	-2.0	-117.85	338.70	3.19	-114.66
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN(C)N=N2)=C1	REAL300000477286	0	41	-2.0	-113.50	369.96	4.93	-108.57
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)N=N1	REAL300000477287	0	34	-2.0	-108.93	341.91	4.11	-104.82
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C2)N=N1	REAL300000477288	1	44	-2.0	-115.15	387.89	7.02	-108.13
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C2)N=N1	REAL300000477289	1	44	-2.0	-121.22	387.20	7.02	-114.20
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=N3)=C2)C=C(C(=O)[O-])O1	REAL300000477290	0	40	-2.0	-114.18	363.89	5.12	-109.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC2CC2(F)F)C=C1	REAL300000477294	0	40	-2.0	-112.65	367.80	5.96	-106.69
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)=C1	REAL300000477298	0	36	-2.0	-103.45	345.13	6.23	-97.22
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)=C1	REAL300000477300	0	33	-2.0	-100.75	332.84	5.18	-95.57
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000477303	1	37	-2.0	-105.37	346.30	5.52	-99.85
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)=C1	REAL300000477305	0	36	-2.0	-97.94	348.76	5.84	-92.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)=CS1	REAL300000477307	1	33	-2.0	-103.26	331.30	5.20	-98.06
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000477310	0	36	-2.0	-101.39	342.66	5.30	-96.09
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)=C1	REAL300000477311	0	40	-2.0	-108.55	368.62	5.26	-103.29
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000477312	1	36	-2.0	-103.98	348.25	6.06	-97.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)S1	REAL300000477314	0	33	-2.0	-95.30	331.92	5.30	-90.00
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)=C1	REAL300000477315	1	36	-2.0	-97.87	346.06	6.24	-91.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)C(F)=C1	REAL300000477316	0	36	-2.0	-94.28	345.12	6.24	-88.04
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)=C1	REAL300000477317	0	37	-2.0	-106.42	349.36	3.87	-102.55
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3CC3(F)F)C=C2)=C1	REAL300000477317	1	37	-2.0	-106.93	348.73	4.70	-102.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000477324	1	40	-2.0	-106.60	367.66	6.39	-100.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)=C1F	REAL300000477326	0	36	-2.0	-111.26	343.31	6.20	-105.06
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)=C1	REAL300000477327	0	35	-2.0	-105.11	335.86	4.28	-100.83
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC2CC2(F)F)C=C1	REAL300000477328	0	40	-2.0	-99.14	367.85	5.96	-93.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)=C(Cl)O1	REAL300000477329	0	33	-2.0	-95.20	339.80	5.15	-90.05
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CC3(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000477330	0	39	-2.0	-101.34	361.77	6.15	-95.19
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2C=C1OC	REAL300000477331	1	42	-2.0	-97.44	370.14	6.52	-90.92
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2C=C1OC	REAL300000477332	1	42	-2.0	-109.86	370.16	6.50	-103.36
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2C=C1OC	REAL300000477333	0	39	-2.0	-104.13	363.34	5.53	-98.60
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2C=C1OC	REAL300000477334	0	43	-2.0	-108.28	376.80	5.87	-102.41
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2C=C1OC	REAL300000477335	0	39	-2.0	-105.59	361.81	5.56	-100.03
COC1=CC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2C=C1OC	REAL300000477336	0	42	-2.0	-103.52	373.16	5.64	-97.88
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2C=C1OC	REAL300000477337	0	39	-2.0	-99.19	362.43	5.63	-93.56
COC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2C=C1OC	REAL300000477338	0	41	-2.0	-107.57	366.38	4.64	-102.93
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2Cl)=C1	REAL300000477343	1	31	-2.0	-96.26	323.87	3.47	-92.79
O=C([O-])C1=CC(S(=O)(=O)NNC2=NC3=CC=CN=C3S2)=CC(C(=O)[O-])=C1	REAL300000477367	0	34	-2.0	-111.96	345.29	3.58	-108.38
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NNC2=NC3=CC=CN=C3S2)=C1	REAL300000477386	0	32	-2.0	-106.39	315.99	2.03	-104.36
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC2=NC3=CC=CN=C3S2)=C1	REAL300000477393	1	31	-2.0	-94.57	325.10	3.44	-91.13
O=C([O-])C1=CC(S(=O)(=O)[N-]NC2=NC3=CC=CN=C3S2)=C(Cl)O1	REAL300000477411	1	28	-2.0	-94.03	313.50	2.29	-91.74
O=C([O-])C1=CC(S(=O)(=O)NNC2=NC3=CN=CC=C3S2)=CC(C(=O)[O-])=C1	REAL300000477438	0	34	-2.0	-107.58	345.67	3.77	-103.81
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NNC2=NC3=CN=CC=C3S2)=C1	REAL300000477457	0	32	-2.0	-102.26	316.35	2.21	-100.05
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC2=NC3=CN=CC=C3S2)=C1	REAL300000477464	1	31	-2.0	-95.22	325.48	3.63	-91.59
O=C([O-])C1=CC(S(=O)(=O)[N-]NC2=NC3=CN=CC=C3S2)=C(Cl)O1	REAL300000477482	1	28	-2.0	-94.74	313.87	2.48	-92.26
O=C([O-])C1=CC(S(=O)(=O)NNC2=NC=C(Cl)C=N2)=CC(C(=O)[O-])=C1	REAL300000477514	0	31	-2.0	-108.15	325.29	5.04	-103.11
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NNC2=NC=C(Cl)C=N2)=C1	REAL300000477541	0	29	-2.0	-102.87	295.99	3.49	-99.38
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC2=NC=C(Cl)C=N2)=C1	REAL300000477549	1	28	-2.0	-93.05	305.10	4.89	-88.16
O=C([O-])C1=CC(S(=O)(=O)[N-]NC2=NC=C(Cl)C=N2)=C(F)C(Cl)=C1F	REAL300000477561	1	28	-2.0	-92.02	318.95	5.32	-86.70
O=C([O-])C1=CC(S(=O)(=O)[N-]NC2=NC=C(Cl)C=N2)=C(Cl)O1	REAL300000477574	1	25	-2.0	-92.38	293.50	3.74	-88.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=CC=C1F	REAL300000477578	0	35	-2.0	-119.07	333.18	7.18	-111.89
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1	REAL300000477579	0	43	-2.0	-120.69	388.25	8.25	-112.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1	REAL300000477580	0	35	-2.0	-108.52	328.62	7.15	-101.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477581	0	35	-2.0	-122.13	328.64	7.14	-114.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1	REAL300000477582	0	39	-2.0	-128.60	356.78	6.96	-121.64
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1	REAL300000477583	0	39	-2.0	-108.09	360.09	8.44	-99.65
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000477584	0	38	-2.0	-123.42	344.65	7.68	-115.74
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477585	0	35	-2.0	-118.02	341.70	7.71	-110.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=CC=C1Cl	REAL300000477586	0	35	-2.0	-117.62	341.15	7.54	-110.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1C	REAL300000477587	0	41	-2.0	-125.51	361.74	8.47	-117.04
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477588	0	35	-2.0	-120.01	334.11	7.21	-112.80
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1	REAL300000477589	0	41	-2.0	-107.60	372.20	8.74	-98.86
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477590	0	32	-2.0	-115.88	321.82	6.17	-109.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1	REAL300000477591	0	38	-2.0	-123.64	344.07	7.93	-115.71
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1	REAL300000477592	0	39	-2.0	-106.68	359.70	7.43	-99.25
CN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000477593	0	36	-2.0	-120.23	335.29	6.49	-113.74
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1	REAL300000477594	0	39	-2.0	-123.88	352.84	5.95	-117.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477595	0	35	-2.0	-111.69	337.75	6.83	-104.86
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000477596	0	41	-2.0	-125.05	360.09	8.45	-116.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=CS1	REAL300000477597	0	32	-2.0	-117.48	320.30	6.17	-111.31
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000477598	0	39	-2.0	-127.90	355.93	7.21	-120.69
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477599	0	45	-2.0	-127.77	383.87	9.77	-118.00
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1	REAL300000477600	0	44	-2.0	-126.08	382.53	9.15	-116.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1	REAL300000477601	0	41	-2.0	-121.91	358.78	8.87	-113.04
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1	REAL300000477602	0	42	-2.0	-128.84	379.07	7.71	-121.13
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477603	0	37	-3.0	-198.57	357.04	7.71	-190.86
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477604	0	42	-2.0	-128.06	372.88	9.03	-119.03
CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000477605	0	35	-2.0	-115.54	331.64	6.29	-109.25
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477606	0	39	-2.0	-122.56	357.55	6.25	-116.31
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NN(C4=CC=CC=C4)C=C3)C=C2C1	REAL300000477607	0	43	-2.0	-108.39	382.27	7.77	-100.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C(Cl)C=C1F	REAL300000477608	0	35	-2.0	-114.13	346.23	7.73	-106.40
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=CC=C1OCC(=O)[O-]	REAL300000477609	0	42	-2.0	-107.22	379.79	8.14	-99.08
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1	REAL300000477610	0	38	-2.0	-113.42	349.34	7.96	-105.46
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1F	REAL300000477611	0	39	-2.0	-105.77	365.94	7.49	-98.28
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000477612	0	42	-2.0	-128.53	377.79	8.12	-120.41
CC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000477613	0	35	-2.0	-119.34	338.33	7.03	-112.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C(Cl)=C1	REAL300000477614	0	35	-2.0	-105.88	341.69	7.70	-98.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1F	REAL300000477615	0	35	-2.0	-107.66	333.17	7.19	-100.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)S1	REAL300000477616	0	32	-2.0	-110.44	320.89	6.27	-104.17
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477617	0	35	-2.0	-112.43	335.04	7.21	-105.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1F	REAL300000477618	0	38	-2.0	-121.49	354.39	7.85	-113.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C(F)=C1	REAL300000477619	0	35	-2.0	-108.06	334.10	7.22	-100.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1Cl	REAL300000477620	0	35	-2.0	-105.97	341.14	7.55	-98.42
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1	REAL300000477621	0	38	-2.0	-115.27	358.08	8.35	-106.92
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1	REAL300000477622	0	43	-2.0	-104.58	392.37	8.56	-96.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=CC(F)=C1F	REAL300000477623	0	35	-2.0	-110.03	339.47	7.24	-102.79
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477624	0	37	-2.0	-106.18	356.82	7.81	-98.37
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477625	0	36	-2.0	-122.72	338.35	4.87	-117.85
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1	REAL300000477626	0	38	-2.0	-112.83	350.80	7.93	-104.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=CC(Cl)=C1F	REAL300000477627	0	35	-2.0	-111.63	349.35	7.68	-103.95
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1	REAL300000477628	0	38	-2.0	-117.59	338.71	7.77	-109.82
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000477629	0	38	-2.0	-120.45	353.47	7.80	-112.65
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1	REAL300000477630	0	38	-2.0	-108.77	344.05	7.92	-100.85
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000477631	0	41	-2.0	-125.43	362.10	8.23	-117.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000477632	0	37	-2.0	-119.12	355.19	8.24	-110.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477633	0	35	-2.0	-110.97	340.37	7.27	-103.70
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C(C)=C1C(=O)[O-]	REAL300000477634	0	41	-2.0	-121.72	363.11	8.52	-113.20
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000477635	0	38	-2.0	-121.32	350.13	7.74	-113.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1Cl	REAL300000477636	0	38	-2.0	-119.85	360.40	8.27	-111.58
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477637	0	38	-2.0	-126.53	353.67	7.84	-118.69
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000477638	0	41	-2.0	-124.21	362.96	8.33	-115.88
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1CC(=O)[O-]	REAL300000477639	0	42	-2.0	-124.03	379.11	7.28	-116.75
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1	REAL300000477640	0	38	-2.0	-110.64	354.90	8.33	-102.31
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000477641	0	38	-2.0	-119.48	359.86	8.10	-111.38
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000477642	0	39	-2.0	-121.50	356.66	7.37	-114.13
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C(C)=C1CC(=O)[O-]	REAL300000477643	0	47	-2.0	-122.08	393.78	10.02	-112.06
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000477644	0	38	-2.0	-115.26	358.50	8.11	-107.15
CC1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300000477645	0	38	-2.0	-108.84	344.64	7.69	-101.15
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1	REAL300000477646	0	38	-2.0	-120.39	348.59	7.96	-112.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1[N+](=O)[O-]	REAL300000477647	0	37	-2.0	-128.74	352.36	9.01	-119.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1F	REAL300000477648	0	35	-2.0	-125.63	332.27	7.17	-118.46
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000477649	0	38	-2.0	-113.40	349.80	7.72	-105.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=CC2=CC=CC=C21	REAL300000477650	0	41	-2.0	-130.64	369.68	9.27	-121.37
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300000477651	0	34	-2.0	-119.95	325.62	5.20	-114.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)C=C1	REAL300000477652	0	39	-2.0	-113.27	356.84	6.95	-106.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)=C(Cl)O1	REAL300000477653	0	32	-2.0	-108.94	328.74	6.11	-102.83
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN(C4=CC=CC=C4)C=C3)C=C2)CC1	REAL300000477654	0	42	-2.0	-115.66	374.76	9.03	-106.63
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN(C4=CC=CC=C4)C=C3)C=C2C1	REAL300000477655	0	42	-2.0	-118.87	374.08	9.04	-109.83
CCC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000477656	0	38	-2.0	-115.39	350.76	7.14	-108.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(SCC3CC3)=C2)C=C1	REAL300000477657	1	39	-2.0	-90.00	373.91	8.91	-81.09
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(SCC3CC3)=C2)=C1	REAL300000477658	1	39	-2.0	-102.07	373.93	8.90	-93.17
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(SCC3CC3)=C2)=C1	REAL300000477659	0	38	-2.0	-99.65	370.15	7.04	-92.61
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1S(=O)(=O)F	REAL300000477660	1	34	-2.0	-105.05	330.94	2.63	-102.42
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1S(=O)(=O)F	REAL300000477661	1	34	-2.0	-95.44	327.08	2.66	-92.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1S(=O)(=O)F	REAL300000477662	1	34	-2.0	-107.49	326.40	2.60	-104.89
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1S(=O)(=O)F	REAL300000477663	1	38	-2.0	-94.84	358.55	3.95	-90.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(S(=O)(=O)F)=C2)C=C1C(=O)[O-]	REAL300000477664	1	37	-2.0	-109.91	346.00	3.24	-106.67
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1S(=O)(=O)F	REAL300000477665	0	34	-2.0	-102.85	331.25	3.07	-99.78
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1S(=O)(=O)F	REAL300000477666	0	31	-2.0	-102.00	320.29	1.67	-100.33
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1S(=O)(=O)F	REAL300000477667	1	37	-2.0	-108.00	342.53	3.43	-104.57
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1S(=O)(=O)F	REAL300000477668	0	35	-2.0	-105.98	333.05	1.95	-104.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(S(=O)(=O)F)=C2)=C1	REAL300000477669	0	34	-2.0	-96.79	335.58	2.71	-94.08
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1S(=O)(=O)F	REAL300000477670	0	31	-2.0	-102.15	317.44	2.04	-100.11
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(S(=O)(=O)F)=C2)C=C(C(=O)[O-])O1	REAL300000477671	0	34	-2.0	-101.40	329.40	1.74	-99.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(S(=O)(=O)F)=C2)C=C(C(=O)[O-])S1	REAL300000477672	0	34	-2.0	-102.78	335.07	2.93	-99.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1S(=O)(=O)F	REAL300000477673	1	34	-2.0	-94.94	330.93	2.64	-92.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1S(=O)(=O)F	REAL300000477674	0	31	-2.0	-95.71	318.05	2.14	-93.57
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1S(=O)(=O)F	REAL300000477675	1	34	-2.0	-96.82	332.18	3.07	-93.75
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1S(=O)(=O)F	REAL300000477676	0	34	-2.0	-93.46	331.24	3.08	-90.38
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1S(=O)(=O)F	REAL300000477677	0	35	-2.0	-105.21	335.49	0.72	-104.49
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1S(=O)(=O)F	REAL300000477677	1	35	-2.0	-104.57	325.12	1.22	-103.35
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1S(=O)(=O)F	REAL300000477678	1	37	-2.0	-98.34	349.27	3.44	-94.90
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1S(=O)(=O)F	REAL300000477679	1	37	-2.0	-102.89	336.09	3.71	-99.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(S(=O)(=O)F)=C2)C=C1C(=O)[O-]	REAL300000477681	0	38	-2.0	-107.21	354.42	2.81	-104.40
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1S(=O)(=O)F	REAL300000477682	1	37	-2.0	-95.27	342.23	3.15	-92.12
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1S(=O)(=O)F	REAL300000477683	0	34	-2.0	-110.73	330.13	3.08	-107.65
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1S(=O)(=O)F	REAL300000477684	0	33	-2.0	-105.20	322.63	0.73	-104.47
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1S(=O)(=O)F	REAL300000477685	0	31	-2.0	-93.88	325.93	1.99	-91.89
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(S(=O)(=O)F)=C2)C=C(C(=O)[O-])O1	REAL300000477686	0	37	-2.0	-101.10	348.52	2.59	-98.51
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2F)=C1	REAL300000477689	0	25	-2.0	-98.12	286.96	4.85	-93.27
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2F)C=C(C(=O)[O-])O1	REAL300000477692	1	28	-2.0	-98.86	296.77	4.96	-93.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2F)S1	REAL300000477693	1	25	-2.0	-93.18	286.03	4.95	-88.23
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(Br)=C2F)=C1	REAL300000477694	0	27	-2.0	-101.38	289.98	3.95	-97.43
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1	REAL300000477695	0	43	-2.0	-90.06	374.60	3.78	-86.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CC=C1F	REAL300000477696	1	36	-2.0	-106.35	322.62	5.23	-101.12
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1COCC2	REAL300000477697	0	44	-2.0	-107.32	377.71	6.31	-101.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1	REAL300000477698	1	36	-2.0	-96.65	318.09	5.20	-91.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1	REAL300000477699	1	36	-2.0	-109.09	318.14	5.19	-103.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1COCC2	REAL300000477700	0	40	-2.0	-114.44	346.24	5.00	-109.44
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1	REAL300000477701	1	40	-2.0	-96.18	349.59	6.49	-89.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1C(=O)[O-]	REAL300000477702	1	39	-2.0	-111.00	334.14	5.74	-105.26
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1	REAL300000477703	0	36	-2.0	-104.47	331.21	5.77	-98.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CC=C1Cl	REAL300000477704	1	36	-2.0	-104.84	330.60	5.59	-99.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1C	REAL300000477705	1	42	-2.0	-111.59	351.20	6.53	-105.06
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1	REAL300000477706	0	36	-2.0	-106.51	323.62	5.26	-101.25
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1	REAL300000477707	1	42	-2.0	-95.33	361.71	6.79	-88.54
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1	REAL300000477708	0	33	-2.0	-103.33	311.30	4.21	-99.12
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1COCC2	REAL300000477709	1	39	-2.0	-109.68	333.54	5.98	-103.70
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1	REAL300000477710	1	40	-2.0	-94.79	349.21	5.48	-89.31
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1C(=O)[O-]	REAL300000477711	0	37	-2.0	-107.48	324.76	4.55	-102.93
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1COCC2	REAL300000477712	1	40	-2.0	-110.39	341.90	4.03	-106.36
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1	REAL300000477713	0	36	-2.0	-99.84	327.22	4.88	-94.96
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1C(=O)[O-]	REAL300000477714	1	42	-2.0	-111.36	349.14	6.54	-104.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CS1	REAL300000477715	0	33	-2.0	-104.75	309.78	4.24	-100.51
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CC(C(=O)[O-])=C1OC	REAL300000477716	1	44	-2.0	-109.46	376.44	5.01	-104.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1C(=O)[O-]	REAL300000477717	1	40	-2.0	-114.86	345.41	5.27	-109.59
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1	REAL300000477718	1	46	-2.0	-113.67	373.35	7.83	-105.84
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1COCC2	REAL300000477719	1	45	-2.0	-111.82	372.01	7.21	-104.61
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1COCC2	REAL300000477720	1	42	-2.0	-107.80	344.56	6.78	-101.02
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1COCC2	REAL300000477721	0	43	-2.0	-114.29	368.52	5.76	-108.53
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2COCC3)=CC(C(=O)[O-])=C1	REAL300000477722	0	39	-2.0	-110.93	345.93	5.69	-105.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CC(C(=O)[O-])=C1	REAL300000477722	1	38	-3.0	-185.73	346.50	5.76	-179.97
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1	REAL300000477723	1	43	-2.0	-113.98	362.34	7.09	-106.89
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C(C(=O)[O-])O1	REAL300000477724	0	36	-2.0	-102.83	321.09	4.34	-98.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CC2=C1OCCO2	REAL300000477725	1	42	-2.0	-114.50	360.30	4.98	-109.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1	REAL300000477726	0	40	-2.0	-110.96	347.03	4.28	-106.68
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3COCC4)C=C2C1	REAL300000477727	1	44	-2.0	-95.98	371.75	5.82	-90.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C(Cl)C=C1F	REAL300000477728	0	36	-2.0	-101.02	335.70	5.79	-95.23
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1Cl	REAL300000477729	1	40	-2.0	-93.27	365.19	6.02	-87.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CC=C1OCC(=O)[O-]	REAL300000477730	1	43	-2.0	-95.30	369.26	6.19	-89.11
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1COCC2	REAL300000477731	1	39	-2.0	-100.26	338.83	6.02	-94.24
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1F	REAL300000477732	1	40	-2.0	-94.25	355.38	5.55	-88.70
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1C(=O)[O-]	REAL300000477733	1	43	-2.0	-116.29	367.22	6.17	-110.12
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C(C(=O)[O-])S1	REAL300000477734	0	36	-2.0	-106.06	327.78	5.08	-100.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C(Cl)=C1	REAL300000477735	0	36	-2.0	-94.09	331.16	5.76	-88.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1F	REAL300000477736	1	36	-2.0	-96.13	322.65	5.24	-90.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)S1	REAL300000477737	0	33	-2.0	-98.59	310.40	4.33	-94.26
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1	REAL300000477738	0	36	-2.0	-100.41	324.52	5.27	-95.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1F	REAL300000477739	0	39	-2.0	-107.90	343.85	5.89	-102.01
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C(Cl)C=C1C(=O)[O-]	REAL300000477740	0	40	-2.0	-98.76	358.41	5.82	-92.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C(F)=C1	REAL300000477741	0	36	-2.0	-96.27	323.57	5.27	-91.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1Cl	REAL300000477742	1	36	-2.0	-94.21	330.62	5.61	-88.60
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1COCC2	REAL300000477743	1	39	-2.0	-101.94	347.56	6.41	-95.53
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1	REAL300000477744	1	44	-2.0	-92.82	381.85	6.61	-86.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CC(F)=C1F	REAL300000477745	1	36	-2.0	-97.89	328.92	5.29	-92.60
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1	REAL300000477746	0	38	-2.0	-94.08	346.29	5.87	-88.21
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1	REAL300000477747	0	37	-2.0	-108.58	327.82	2.91	-105.67
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC3=C2COCC3)=C1	REAL300000477747	1	37	-2.0	-109.05	322.26	3.72	-105.33
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1	REAL300000477748	1	39	-2.0	-100.21	340.31	5.98	-94.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CC(Cl)=C1F	REAL300000477749	1	36	-2.0	-99.39	338.80	5.73	-93.66
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1COCC2	REAL300000477750	1	39	-2.0	-105.81	328.16	5.83	-99.98
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CC(C(=O)[O-])=C1F	REAL300000477751	1	39	-2.0	-107.71	342.93	5.85	-101.86
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1COCC2	REAL300000477752	1	39	-2.0	-96.59	333.52	5.97	-90.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CC(C(=O)[O-])=C1C	REAL300000477753	1	42	-2.0	-112.98	351.00	6.27	-106.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CC=C1[N+](=O)[O-]	REAL300000477754	0	38	-2.0	-107.71	344.69	6.30	-101.41
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1	REAL300000477755	0	36	-2.0	-98.11	329.86	5.32	-92.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C(C)=C1C(=O)[O-]	REAL300000477756	1	42	-2.0	-110.04	352.62	6.58	-103.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1C(=O)[O-]	REAL300000477757	0	39	-2.0	-108.77	343.42	5.89	-102.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1Cl	REAL300000477758	0	39	-2.0	-106.31	349.88	6.33	-99.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1	REAL300000477759	0	39	-2.0	-114.97	343.12	5.89	-109.08
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1C(=O)[O-]	REAL300000477760	1	42	-2.0	-111.75	352.08	6.39	-105.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1CC(=O)[O-]	REAL300000477761	1	43	-2.0	-111.63	368.59	5.33	-106.30
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1COCC2	REAL300000477762	1	39	-2.0	-98.96	344.37	6.37	-92.59
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CC(C(=O)[O-])=C1Cl	REAL300000477763	1	39	-2.0	-106.61	349.32	6.16	-100.45
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1C(=O)[O-]	REAL300000477764	0	40	-2.0	-109.27	346.07	5.40	-103.87
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C(C)=C1CC(=O)[O-]	REAL300000477765	1	48	-2.0	-110.32	383.26	8.07	-102.25
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1C(=O)[O-]	REAL300000477766	1	39	-2.0	-102.50	347.96	6.16	-96.34
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C(C(=O)[O-])S1	REAL300000477767	0	45	-2.0	-105.37	365.47	7.26	-98.11
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1C(=O)[O-]	REAL300000477768	0	40	-2.0	-110.01	358.43	5.84	-104.17
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CC=C1C(=O)[O-]	REAL300000477769	1	39	-2.0	-96.83	334.12	5.74	-91.09
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C([N+](=O)[O-])=C1	REAL300000477770	0	41	-2.0	-102.01	361.36	7.39	-94.62
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1COCC2	REAL300000477771	1	39	-2.0	-106.96	338.10	6.01	-100.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1[N+](=O)[O-]	REAL300000477772	0	38	-2.0	-117.12	341.83	7.06	-110.06
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1F	REAL300000477773	0	36	-2.0	-114.17	321.77	5.23	-108.94
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C1C(=O)[O-]	REAL300000477774	1	39	-2.0	-100.77	339.26	5.77	-95.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=CC2=CC=CC=C21	REAL300000477775	1	42	-2.0	-118.14	359.15	7.32	-110.82
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C1	REAL300000477776	0	35	-2.0	-107.00	314.31	3.33	-103.67
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1COCC2	REAL300000477777	0	40	-2.0	-100.87	346.31	5.00	-95.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)=C(Cl)O1	REAL300000477778	0	33	-2.0	-96.78	318.19	4.18	-92.60
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3COCC4)C=C2)CC1	REAL300000477779	1	43	-2.0	-102.99	364.27	7.08	-95.91
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3COCC4)C=C2C1	REAL300000477780	1	43	-2.0	-107.05	363.54	7.08	-99.97
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2COCC3)C=C(C(=O)[O-])O1	REAL300000477781	0	39	-2.0	-102.56	338.46	5.14	-97.42
COC1=CC=C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C2=C1	REAL300000477805	0	42	-2.0	-119.58	359.64	7.33	-112.25
COC1=CC=C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000477825	0	40	-2.0	-118.81	341.52	5.55	-113.26
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)=C1	REAL300000477858	1	37	-2.0	-114.13	347.12	4.04	-110.09
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)=C1	REAL300000477862	0	37	-2.0	-111.43	352.76	4.11	-107.32
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)C=C1	REAL300000477863	1	43	-2.0	-100.93	390.66	5.64	-95.29
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)=C1	REAL300000477864	0	34	-2.0	-108.36	340.47	3.06	-105.30
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)C=C1C(=O)[O-]	REAL300000477866	1	38	-2.0	-112.58	353.75	3.40	-109.18
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)=C1	REAL300000477867	0	37	-2.0	-105.27	356.21	3.72	-101.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)=CS1	REAL300000477869	1	34	-2.0	-109.79	338.93	3.08	-106.71
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000477871	0	37	-2.0	-107.93	350.14	3.19	-104.74
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000477872	1	37	-2.0	-111.31	355.88	3.94	-107.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)C=C1F	REAL300000477873	1	37	-2.0	-101.70	351.64	4.09	-97.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)S1	REAL300000477874	0	34	-2.0	-103.99	339.36	3.17	-100.82
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)=C1	REAL300000477875	1	37	-2.0	-104.92	353.69	4.12	-100.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)C(F)=C1	REAL300000477876	0	37	-2.0	-101.70	352.56	4.12	-97.58
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)=C1	REAL300000477877	0	38	-2.0	-113.90	357.00	1.76	-112.14
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3=CC=CN=N3)C=C2)=C1	REAL300000477877	1	38	-2.0	-111.74	355.90	2.62	-109.12
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)C=C1	REAL300000477878	1	40	-2.0	-105.60	369.26	4.83	-100.77
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)C=C1C(=O)[O-]	REAL300000477884	1	41	-2.0	-113.88	375.12	4.26	-109.62
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)=C1F	REAL300000477886	0	37	-2.0	-119.71	350.76	4.08	-115.63
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)=C1	REAL300000477887	0	36	-2.0	-112.61	343.49	2.16	-110.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)=C(Cl)O1	REAL300000477888	0	34	-2.0	-102.08	347.25	3.03	-99.05
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CN=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000477889	0	40	-2.0	-107.63	369.41	4.04	-103.59
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477890	0	40	-2.0	-107.09	357.96	7.15	-99.94
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477890	1	39	-3.0	-216.69	361.77	7.22	-209.47
COC(=O)C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477891	0	37	-2.0	-102.27	344.67	6.39	-95.88
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477891	1	36	-3.0	-217.81	346.34	6.44	-211.37
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C3OCCC3=C2)=C1	REAL300000477892	0	36	-2.0	-101.07	325.78	5.59	-95.48
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)=C1	REAL300000477893	0	39	-2.0	-102.97	345.90	8.19	-94.78
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1	REAL300000477894	0	30	-3.0	-223.14	300.06	6.06	-217.08
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000477895	0	33	-3.0	-168.46	323.23	5.43	-163.03
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000477896	0	29	-3.0	-199.21	303.42	4.42	-194.79
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000477896	1	30	-2.0	-97.56	301.70	4.35	-93.21
N#CC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477897	0	32	-2.0	-96.96	310.58	6.11	-90.85
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477897	1	31	-3.0	-207.84	312.39	6.18	-201.66
N#CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477898	0	32	-2.0	-95.67	310.51	6.12	-89.55
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477898	1	31	-3.0	-202.15	312.37	6.18	-195.97
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000477899	0	30	-3.0	-209.08	313.78	6.37	-202.71
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000477900	0	31	-3.0	-223.13	309.65	6.08	-217.05
N#CC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000477900	1	32	-2.0	-102.91	306.88	5.63	-97.28
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000477901	0	33	-3.0	-189.09	322.73	6.31	-182.78
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000477901	1	32	-4.0	-292.69	324.56	6.38	-286.31
CC1=C(C)C(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(C)=C1C	REAL300000477902	0	46	-2.0	-102.31	360.55	8.67	-93.64
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1	REAL300000477903	0	40	-2.0	-106.10	352.67	5.66	-100.44
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1	REAL300000477903	1	39	-3.0	-213.26	354.38	5.73	-207.53
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000477904	0	36	-2.0	-109.86	333.96	6.92	-102.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000477904	1	35	-3.0	-210.81	335.76	6.98	-203.83
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000477905	0	33	-3.0	-204.56	307.80	3.62	-200.94
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300000477906	0	34	-2.0	-95.44	328.51	6.73	-88.71
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300000477906	1	33	-3.0	-202.53	330.31	6.79	-195.74
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C3CCCCC3=C2)=C1	REAL300000477907	0	41	-2.0	-104.58	352.52	8.21	-96.37
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1	REAL300000477907	1	40	-3.0	-218.49	354.27	8.28	-210.21
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477908	0	33	-3.0	-165.05	318.13	6.29	-158.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477908	1	32	-4.0	-278.37	320.02	6.35	-272.02
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477909	0	38	-3.0	-224.34	349.29	4.86	-219.48
COC1=CC=C(OC)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477909	1	39	-2.0	-108.86	346.70	4.36	-104.50
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1OC	REAL300000477910	0	39	-2.0	-101.49	348.59	4.93	-96.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1OC	REAL300000477910	1	38	-3.0	-211.18	350.30	4.99	-206.19
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C3CCCC3=C2)=C1	REAL300000477911	0	38	-2.0	-104.56	335.34	7.63	-96.93
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1	REAL300000477911	1	37	-3.0	-218.43	337.08	7.70	-210.73
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000477912	0	32	-3.0	-197.73	306.48	4.71	-193.02
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1	REAL300000477913	0	31	-2.0	-96.82	321.63	6.69	-90.13
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1	REAL300000477913	1	30	-3.0	-201.05	323.48	6.77	-194.28
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477914	0	33	-3.0	-169.52	318.34	6.29	-163.23
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477914	1	32	-4.0	-298.75	320.02	6.34	-292.41
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300000477915	0	31	-2.0	-97.47	302.41	5.84	-91.63
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300000477915	1	30	-3.0	-198.80	304.26	5.91	-192.89
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1	REAL300000477916	0	30	-3.0	-207.65	321.41	6.87	-200.78
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1	REAL300000477916	1	31	-2.0	-97.86	318.55	6.43	-91.43
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300000477917	0	34	-2.0	-96.66	328.51	6.72	-89.94
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300000477917	1	33	-3.0	-208.37	330.29	6.79	-201.58
CC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477918	0	34	-2.0	-101.84	311.19	6.39	-95.45
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477918	1	33	-3.0	-216.09	312.96	6.45	-209.64
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C=CC2=CC=CC=C2)=C1	REAL300000477919	0	35	-2.0	-104.34	323.33	6.97	-97.37
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1	REAL300000477920	0	33	-3.0	-217.24	316.04	7.14	-210.10
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1	REAL300000477920	1	34	-2.0	-100.97	313.14	6.73	-94.24
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300000477921	0	31	-2.0	-97.35	306.67	6.25	-91.10
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300000477921	1	30	-3.0	-209.10	308.28	6.31	-202.79
CC(=O)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477922	0	36	-2.0	-104.29	330.15	6.12	-98.17
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477922	1	35	-3.0	-210.98	334.32	6.28	-204.70
CC1=CC=C(C)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477923	0	37	-2.0	-100.95	324.66	7.17	-93.78
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477923	1	36	-3.0	-216.10	328.45	7.23	-208.87
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1C	REAL300000477924	0	37	-2.0	-102.99	328.29	6.93	-96.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1C	REAL300000477924	1	36	-3.0	-217.66	329.97	6.99	-210.67
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1	REAL300000477925	0	31	-2.0	-96.52	312.30	6.28	-90.24
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1	REAL300000477925	1	30	-3.0	-199.52	314.15	6.36	-193.16
CC(=O)C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477926	0	36	-2.0	-107.54	332.52	6.20	-101.34
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000477926	1	35	-3.0	-226.60	332.82	6.19	-220.41
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(C)=C1	REAL300000477927	0	37	-2.0	-100.53	324.63	7.15	-93.38
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000477928	0	36	-3.0	-231.32	336.79	7.18	-224.14
COC(=O)C1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000477928	1	37	-2.0	-108.64	331.77	7.23	-101.41
CCOC(=O)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477929	0	40	-2.0	-99.82	366.32	7.32	-92.50
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477929	1	39	-3.0	-205.82	368.20	7.38	-198.44
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1	REAL300000477930	0	30	-3.0	-210.47	319.88	6.81	-203.66
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1	REAL300000477930	1	31	-2.0	-96.44	317.09	6.39	-90.05
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000477931	0	37	-2.0	-96.93	345.27	6.46	-90.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000477931	1	36	-3.0	-207.97	347.08	6.53	-201.44
CC(C)(C)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477932	0	43	-2.0	-101.90	365.97	8.05	-93.85
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477932	1	42	-3.0	-214.89	367.77	8.11	-206.78
CC(C)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477933	0	40	-2.0	-101.70	349.99	7.66	-94.04
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477933	1	39	-3.0	-214.61	351.79	7.72	-206.89
CCC(C)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477934	0	43	-2.0	-101.52	368.44	8.32	-93.20
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477934	1	42	-3.0	-214.25	370.24	8.38	-205.87
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000477935	0	36	-4.0	-303.74	348.16	6.14	-297.60
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000477935	1	37	-3.0	-193.94	345.57	5.64	-188.30
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477936	0	37	-3.0	-160.86	349.60	7.58	-153.28
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477936	1	36	-4.0	-276.66	351.49	7.64	-269.02
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1	REAL300000477937	0	30	-3.0	-214.12	315.16	7.10	-207.02
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300000477938	0	27	-3.0	-202.67	300.53	5.41	-197.26
CCCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477939	0	40	-2.0	-101.22	354.15	7.95	-93.27
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477939	1	39	-3.0	-214.19	355.96	8.01	-206.18
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000477940	0	34	-3.0	-222.92	319.82	5.58	-217.34
COC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000477940	1	35	-2.0	-104.73	317.17	5.10	-99.63
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000477941	0	36	-3.0	-192.44	334.13	6.82	-185.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000477941	1	35	-4.0	-301.82	336.03	6.88	-294.94
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1	REAL300000477942	0	30	-3.0	-205.14	309.61	5.98	-199.16
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1	REAL300000477943	0	31	-2.0	-95.39	323.25	6.74	-88.65
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1	REAL300000477943	1	30	-3.0	-202.06	325.02	6.82	-195.24
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1	REAL300000477944	0	30	-3.0	-214.68	304.69	6.35	-208.33
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC=C2Cl)=C1	REAL300000477944	1	31	-2.0	-99.65	301.82	5.92	-93.73
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300000477945	0	32	-3.0	-208.83	319.77	6.46	-202.37
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300000477945	1	33	-2.0	-96.17	318.15	6.41	-89.76
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000477946	0	36	-2.0	-102.26	331.47	7.17	-95.09
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000477946	1	35	-3.0	-207.08	335.26	7.23	-199.85
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000477947	0	27	-3.0	-210.72	283.48	4.79	-205.93
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477948	0	35	-2.0	-99.82	319.17	5.02	-94.80
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300000477949	0	32	-3.0	-231.10	310.07	7.16	-223.94
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000477950	0	32	-4.0	-290.80	333.09	6.92	-283.88
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000477950	1	33	-3.0	-184.24	330.22	6.48	-177.76
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000477951	0	33	-3.0	-186.93	330.71	6.67	-180.26
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000477951	1	32	-4.0	-292.88	332.53	6.74	-286.14
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477952	0	34	-2.0	-101.87	311.18	6.41	-95.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477952	1	33	-3.0	-214.98	312.97	6.46	-208.52
CCOC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477953	0	38	-2.0	-101.00	341.08	5.95	-95.05
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1	REAL300000477954	0	30	-3.0	-207.54	303.46	5.92	-201.62
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300000477955	0	31	-2.0	-97.22	296.32	5.80	-91.42
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300000477955	1	30	-3.0	-209.17	297.96	5.85	-203.32
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1	REAL300000477956	0	30	-3.0	-200.77	304.37	5.92	-194.85
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(F)=CC(F)=C2)=C1	REAL300000477956	1	31	-2.0	-95.58	302.60	5.86	-89.72
CC1=CC(C)=C(C)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1C	REAL300000477957	0	43	-2.0	-101.87	346.97	7.91	-93.96
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1C	REAL300000477957	1	42	-3.0	-217.84	355.06	8.48	-209.36
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300000477958	0	37	-2.0	-102.43	334.32	4.88	-97.55
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300000477958	1	36	-3.0	-214.17	336.04	4.94	-209.23
CC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(C)=C1	REAL300000477959	0	40	-2.0	-100.52	337.61	7.89	-92.63
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000477960	0	46	-2.0	-103.23	379.45	8.82	-94.41
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000477960	1	45	-3.0	-218.93	383.25	8.88	-210.05
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300000477961	0	31	-2.0	-96.55	306.49	6.25	-90.30
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300000477961	1	30	-3.0	-204.97	308.30	6.31	-198.66
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300000477962	0	32	-3.0	-196.21	319.79	6.46	-189.75
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300000477962	1	33	-2.0	-93.59	317.97	6.40	-87.19
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC=C2)=C1	REAL300000477963	0	31	-2.0	-101.50	289.87	5.72	-95.78
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000477963	1	30	-3.0	-214.54	291.55	5.79	-208.75
CC(=O)NC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477964	0	38	-2.0	-104.74	345.52	4.64	-100.10
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000477964	1	37	-3.0	-219.27	347.64	4.68	-214.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])S1	REAL300000477965	0	30	-3.0	-212.34	305.38	5.58	-206.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1C	REAL300000477966	0	39	-3.0	-195.84	349.32	7.29	-188.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1C	REAL300000477966	1	38	-4.0	-298.92	353.12	7.68	-291.24
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CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478061	0	39	-3.0	-222.50	371.58	4.30	-218.20
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(C)=C1	REAL300000478062	0	38	-2.0	-99.01	332.69	5.78	-93.23
COC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1C	REAL300000478063	0	41	-2.0	-100.43	352.75	6.52	-93.91
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478064	0	34	-3.0	-219.06	322.66	4.16	-214.90
CC1=CC=C(O)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478064	1	35	-2.0	-101.06	320.12	3.62	-97.44
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CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478066	0	39	-3.0	-193.00	346.81	7.45	-185.55
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COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])S1	REAL300000478068	0	33	-3.0	-202.69	339.43	5.55	-197.14
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COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478074	0	36	-3.0	-219.26	351.82	6.50	-212.76
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478075	0	40	-3.0	-226.64	363.07	7.17	-219.47
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O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1	REAL300000478266	1	30	-3.0	-201.38	314.70	6.37	-195.01
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C(C)O1	REAL300000478267	0	36	-3.0	-202.18	349.39	5.35	-196.83
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CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])N=C1C	REAL300000478269	0	36	-3.0	-223.99	337.17	5.57	-218.42
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478270	0	33	-3.0	-215.59	326.10	7.02	-208.57
CC1=CC=C(Cl)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478270	1	34	-2.0	-100.28	323.23	6.58	-93.70
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000478271	0	36	-4.0	-296.93	347.97	6.56	-290.37
CCN1C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000478271	1	37	-3.0	-185.69	347.90	6.56	-179.13
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478272	0	33	-3.0	-207.79	331.44	4.52	-203.27
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478273	0	42	-3.0	-213.20	371.03	6.34	-206.86
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=CN1C	REAL300000478274	0	40	-3.0	-214.70	374.59	6.82	-207.88
CCOC(=O)C1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=CN1C	REAL300000478274	1	41	-2.0	-110.75	374.45	6.81	-103.94
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478275	0	39	-2.0	-96.93	347.72	7.69	-89.24
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CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(Cl)=N1	REAL300000478277	0	32	-3.0	-210.81	321.45	5.11	-205.70
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478278	0	35	-3.0	-210.15	340.59	5.97	-204.18
COC1=CC(C#N)=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478278	1	36	-2.0	-99.01	338.00	5.48	-93.53
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])S1	REAL300000478279	0	32	-3.0	-206.20	321.56	4.37	-201.83
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3C(=O)[O-])C=C12	REAL300000478280	0	37	-3.0	-196.18	352.79	3.50	-192.68
CCC1=NOC2=NC=C(S(=O)(=O)NC3=CC(C(=O)[O-])=CC=C3C(=O)[O-])C=C12	REAL300000478280	1	38	-2.0	-92.21	351.32	3.44	-88.77
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])S1	REAL300000478281	0	32	-3.0	-204.36	329.69	6.11	-198.25
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478282	0	41	-2.0	-104.11	374.79	2.35	-101.76
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=CN=C1Cl	REAL300000478283	0	33	-3.0	-197.55	332.40	3.76	-193.79
COC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=CN=C1Cl	REAL300000478283	1	34	-2.0	-92.13	330.98	3.71	-88.42
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000478284	0	32	-3.0	-196.86	326.28	5.02	-191.84
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000478284	1	33	-2.0	-92.50	324.78	4.96	-87.54
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478285	0	36	-3.0	-208.55	352.76	6.51	-202.04
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478285	1	37	-2.0	-104.21	351.02	6.44	-97.77
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478286	0	45	-3.0	-211.36	384.37	6.80	-204.56
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(C)=C1F	REAL300000478287	0	38	-2.0	-97.65	337.64	5.82	-91.83
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(C)=C1F	REAL300000478287	1	37	-3.0	-207.80	341.64	5.90	-201.90
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(Cl)=C1	REAL300000478288	0	31	-3.0	-201.95	325.44	6.74	-195.21
N#CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(Cl)=C1	REAL300000478288	1	32	-2.0	-94.13	322.64	6.31	-87.82
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1	REAL300000478289	0	33	-3.0	-226.27	319.49	6.11	-220.16
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478290	0	35	-3.0	-206.92	341.53	4.65	-202.27
COC(=O)C1=CN=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478290	1	36	-2.0	-104.58	339.93	4.59	-99.99
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1	REAL300000478291	0	27	-3.0	-203.14	295.93	4.50	-198.64
CC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478292	0	39	-2.0	-103.71	347.34	7.67	-96.04
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478292	1	38	-3.0	-209.05	351.26	7.74	-201.31
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478293	0	40	-3.0	-224.50	355.09	7.54	-216.96
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478293	1	41	-2.0	-104.00	347.06	7.43	-96.57
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1	REAL300000478294	0	30	-3.0	-208.15	312.63	6.20	-201.95
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)CC2CCCOC2)=C1	REAL300000478295	0	38	-2.0	-99.17	325.27	4.52	-94.65
CN(C)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000478296	0	39	-2.0	-104.10	341.39	6.14	-97.96
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)CCC2=CC=CS2)=C1	REAL300000478297	0	34	-2.0	-99.93	326.98	6.38	-93.55
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478298	0	30	-3.0	-203.66	320.54	6.00	-197.66
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1	REAL300000478299	0	34	-2.0	-101.47	322.13	6.60	-94.87
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1	REAL300000478299	1	33	-3.0	-221.33	325.72	6.72	-214.61
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1	REAL300000478300	0	33	-3.0	-203.76	329.48	4.68	-199.08
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478301	0	34	-3.0	-222.81	327.64	6.86	-215.95
CSC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478301	1	35	-2.0	-105.50	324.86	6.42	-99.08
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300000478302	0	38	-3.0	-205.04	361.00	7.08	-197.96
CC(C)C1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478303	0	40	-2.0	-103.00	342.36	7.37	-95.63
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478303	1	39	-3.0	-219.03	344.78	7.78	-211.25
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(C)=CS1	REAL300000478304	0	36	-3.0	-227.11	346.77	6.98	-220.13
COC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=CC=C1F	REAL300000478305	0	35	-2.0	-95.88	325.44	5.09	-90.79
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=CC=C1F	REAL300000478305	1	34	-3.0	-202.64	327.29	5.16	-197.48
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1	REAL300000478306	0	29	-3.0	-222.18	304.25	6.18	-216.00
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CO2)=C1	REAL300000478307	0	27	-3.0	-209.08	274.23	3.78	-205.30
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478308	0	29	-3.0	-191.75	286.04	2.19	-189.56
CN1N=CC2=CC(S(=O)(=O)NC3=CC(C(=O)[O-])=CC=C3C(=O)[O-])=CN=C21	REAL300000478309	0	36	-2.0	-97.38	334.35	4.86	-92.52
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3C(=O)[O-])=CN=C21	REAL300000478309	1	35	-3.0	-204.17	335.91	4.92	-199.25
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300000478310	0	29	-3.0	-198.83	312.72	5.55	-193.28
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300000478310	1	30	-2.0	-101.53	312.26	5.55	-95.98
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)=C1	REAL300000478311	0	40	-2.0	-101.36	353.46	7.21	-94.15
COC(=O)NC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000478312	0	39	-2.0	-101.06	356.63	3.96	-97.10
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000478312	1	38	-3.0	-213.53	358.75	4.01	-209.52
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300000478313	0	34	-3.0	-215.69	319.68	5.22	-210.47
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478314	0	31	-3.0	-206.09	325.47	6.74	-199.35
N#CC1=CC=C(Cl)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478314	1	32	-2.0	-99.74	322.61	6.31	-93.43
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000478315	0	33	-3.0	-204.27	335.51	4.85	-199.42
CCC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478316	0	37	-2.0	-101.40	318.51	6.89	-94.51
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478316	1	36	-3.0	-210.19	317.22	7.31	-202.88
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478317	0	38	-3.0	-231.91	345.53	6.29	-225.62
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)CCCCCl)=C1	REAL300000478318	0	33	-2.0	-98.13	315.47	5.67	-92.46
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478319	0	33	-3.0	-220.18	311.15	6.76	-213.42
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)=C1	REAL300000478320	0	34	-3.0	-231.43	329.93	5.86	-225.57
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CNC3=CC=CC(F)=C23)=C1	REAL300000478320	1	35	-2.0	-107.17	327.49	5.37	-101.80
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478321	0	43	-3.0	-210.81	381.75	7.25	-203.56
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3C(=O)[O-])C=CC=C12	REAL300000478322	0	38	-3.0	-237.08	349.44	6.95	-230.13
CC1=CC=NC2=C(S(=O)(=O)NC3=CC(C(=O)[O-])=CC=C3C(=O)[O-])C=CC=C12	REAL300000478322	1	39	-2.0	-110.86	346.82	6.50	-104.36
CC(C)(C#N)CCS(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478323	0	37	-2.0	-97.32	331.34	5.58	-91.74
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478324	0	35	-2.0	-104.09	341.00	3.00	-101.09
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478324	1	34	-3.0	-216.54	342.81	3.08	-213.46
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1	REAL300000478325	0	31	-3.0	-221.82	316.33	4.08	-217.74
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478326	0	33	-3.0	-208.04	316.15	3.26	-204.78
COC1=CN=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478326	1	34	-2.0	-101.30	314.56	3.18	-98.12
COCCOCCOCCS(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478327	0	45	-2.0	-102.91	399.96	3.10	-99.81
CC1=CC2=C(C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-])OCO2	REAL300000478328	0	37	-2.0	-99.13	329.20	5.14	-93.99
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-])OCO2	REAL300000478328	1	36	-3.0	-208.23	332.64	5.24	-202.99
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CC1(C)CCCC(CS(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])O1	REAL300000478530	0	44	-2.0	-105.05	364.18	5.94	-99.11
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CC(C)(CCS(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-])C1CC1	REAL300000478532	0	43	-2.0	-98.90	355.75	7.21	-91.69
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C=CC2=CC=CC=C2Cl)=C1	REAL300000478533	0	35	-2.0	-102.82	337.57	7.40	-95.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478534	0	36	-4.0	-285.42	348.22	6.14	-279.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478534	1	37	-3.0	-172.23	345.61	5.65	-166.58
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CCCC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478536	0	40	-2.0	-102.10	340.05	7.65	-94.45
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CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3C(=O)[O-])C=NN2C1	REAL300000478547	0	41	-3.0	-218.70	366.60	3.80	-214.90
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COC1=C(F)C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1F	REAL300000478550	0	35	-2.0	-95.96	335.78	5.28	-90.68
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COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1F	REAL300000478552	0	34	-3.0	-208.55	332.75	5.22	-203.33
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478553	0	40	-3.0	-221.43	366.00	7.18	-214.25
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CC1=CSC(C)=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478554	1	34	-2.0	-101.59	316.21	6.32	-95.27
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3C(=O)[O-])=C2O1	REAL300000478555	0	38	-3.0	-230.38	348.80	6.36	-224.02
CC1CC2=CC=CC(S(=O)(=O)NC3=CC(C(=O)[O-])=CC=C3C(=O)[O-])=C2O1	REAL300000478555	1	39	-2.0	-106.97	345.94	5.94	-101.03
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])S1	REAL300000478556	0	38	-3.0	-208.56	360.23	5.45	-203.11
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COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478558	0	34	-3.0	-216.83	328.03	6.45	-210.38
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CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478561	0	35	-3.0	-229.89	332.24	5.39	-224.50
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COC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1OC	REAL300000478569	1	39	-2.0	-101.82	345.75	5.17	-96.65
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CCCC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478587	0	40	-2.0	-101.63	354.32	7.95	-93.68
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478587	1	39	-3.0	-217.40	355.94	8.00	-209.40
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478588	0	36	-3.0	-199.02	347.83	4.12	-194.90
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CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478604	1	41	-3.0	-226.42	376.13	7.82	-218.60
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CC(=O)OCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000478606	0	40	-2.0	-102.82	368.19	7.38	-95.44
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300000478606	1	39	-3.0	-213.07	369.98	7.44	-205.63
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N#CC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1Cl	REAL300000478607	1	32	-2.0	-96.21	321.39	6.21	-90.00
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COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478611	0	36	-3.0	-205.54	356.53	6.09	-199.45
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CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=N1	REAL300000478631	0	32	-3.0	-206.44	312.26	2.64	-203.80
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1Cl	REAL300000478632	0	33	-3.0	-203.35	333.21	4.71	-198.64
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CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC=C3C(=O)[O-])=CC=C21	REAL300000478646	1	37	-3.0	-223.97	345.28	7.55	-216.42
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CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478650	0	36	-3.0	-228.76	328.01	7.59	-221.17
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478650	1	37	-2.0	-109.10	325.15	7.16	-101.94
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CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(C2CC2)=N1	REAL300000478654	0	40	-3.0	-213.20	368.36	6.57	-206.63
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C2=NSN=C2C=C1	REAL300000478655	0	34	-3.0	-220.65	329.79	5.14	-215.51
CC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(=O)NC(=O)N1	REAL300000478656	0	34	-2.0	-109.87	314.42	1.21	-108.66
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(=O)NC(=O)N1	REAL300000478656	1	33	-3.0	-212.28	314.62	1.52	-210.76
CC(=O)OC1CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C1	REAL300000478657	0	39	-2.0	-100.86	348.06	4.88	-95.98
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478658	0	43	-3.0	-209.09	378.24	6.99	-202.10
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300000478659	0	27	-3.0	-205.53	290.32	4.29	-201.24
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1	REAL300000478660	0	27	-3.0	-203.81	300.36	5.30	-198.51
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478661	0	38	-3.0	-205.41	343.86	3.52	-201.89
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC=C2C2CC2)=C1	REAL300000478662	0	38	-2.0	-102.96	331.66	7.86	-95.10
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1	REAL300000478662	1	37	-3.0	-220.28	335.11	7.95	-212.33
CC1(C)CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])CC1	REAL300000478663	0	42	-2.0	-101.34	340.85	5.75	-95.59
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)N2CCN(CC(F)F)CC2)=C1	REAL300000478664	0	41	-2.0	-99.50	351.97	3.55	-95.95
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(C)=N1	REAL300000478665	0	37	-2.0	-96.31	330.64	3.16	-93.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C(C)=N1	REAL300000478665	1	36	-3.0	-203.32	334.40	3.23	-200.09
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478666	0	36	-3.0	-218.46	338.97	3.61	-214.85
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478667	0	33	-3.0	-209.41	334.27	3.46	-205.95
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1C	REAL300000478668	0	36	-3.0	-204.97	338.87	3.21	-201.76
COC1=NC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1C	REAL300000478668	1	37	-2.0	-97.53	337.43	3.17	-94.36
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=N1	REAL300000478669	0	39	-3.0	-207.66	358.95	5.89	-201.77
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478670	0	39	-3.0	-209.72	357.00	5.47	-204.25
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1	REAL300000478671	0	29	-3.0	-205.86	318.89	3.76	-202.10
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=CO1	REAL300000478672	0	28	-3.0	-209.94	294.51	4.20	-205.74
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])SC=C1	REAL300000478673	0	28	-3.0	-213.87	301.04	5.16	-208.71
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478674	0	36	-3.0	-203.95	333.28	5.05	-198.90
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1C	REAL300000478675	0	38	-3.0	-201.20	358.33	5.16	-196.04
COC(=O)C1=NC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C1C	REAL300000478675	1	39	-2.0	-96.12	356.76	5.12	-91.00
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478676	0	33	-3.0	-220.55	333.43	7.59	-212.96
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1	REAL300000478677	0	37	-3.0	-204.32	343.76	5.90	-198.42
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300000478678	0	37	-3.0	-213.82	343.50	7.01	-206.81
COC1=NOC(CS(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478679	0	34	-2.0	-96.20	323.16	2.07	-94.13
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478679	1	33	-3.0	-201.47	322.61	2.12	-199.35
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=NN1C(C)C	REAL300000478680	0	39	-3.0	-208.90	356.04	5.54	-203.36
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000478681	0	38	-2.0	-103.59	349.57	7.92	-95.67
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000478681	1	37	-3.0	-215.32	351.41	7.98	-207.34
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1	REAL300000478682	0	32	-3.0	-211.59	320.81	4.90	-206.69
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1	REAL300000478682	1	33	-2.0	-96.67	317.34	4.75	-91.92
CC(C)C1CC(CS(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C1	REAL300000478683	0	43	-2.0	-99.05	362.08	7.41	-91.64
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000478684	0	38	-2.0	-104.68	351.27	7.97	-96.71
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000478684	1	37	-3.0	-216.59	353.06	8.03	-208.56
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)=C1	REAL300000478685	0	34	-3.0	-216.56	342.01	6.25	-210.31
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)=C1	REAL300000478685	1	35	-2.0	-98.76	339.37	5.76	-93.00
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300000478686	0	32	-2.0	-101.62	300.79	2.87	-98.75
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300000478686	1	31	-3.0	-214.27	302.57	2.93	-211.34
COC(=O)CC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478687	0	40	-2.0	-102.85	355.76	7.42	-95.43
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478687	1	39	-3.0	-217.82	359.14	7.55	-210.27
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1	REAL300000478688	0	33	-3.0	-217.19	329.22	6.72	-210.47
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000478689	0	26	-3.0	-198.15	277.21	3.40	-194.75
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000478690	0	34	-3.0	-225.58	339.44	5.04	-220.54
O=C([O-])C1=CC=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1	REAL300000478691	0	38	-2.0	-102.10	344.05	8.00	-94.10
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1	REAL300000478691	1	37	-3.0	-225.44	347.38	8.09	-217.35
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478692	0	35	-3.0	-221.96	332.34	5.36	-216.60
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000478693	0	36	-3.0	-235.80	344.24	7.29	-228.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C2=NC=CC=C12	REAL300000478694	0	38	-3.0	-237.69	349.28	6.95	-230.74
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C2=NC=CC=C12	REAL300000478694	1	39	-2.0	-112.31	346.60	6.49	-105.82
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000478695	0	35	-4.0	-281.70	338.23	6.22	-275.48
CCC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000478695	1	36	-3.0	-185.04	338.52	5.89	-179.15
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478696	0	43	-3.0	-228.66	381.00	7.79	-220.87
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478696	1	44	-2.0	-107.14	378.40	7.26	-99.88
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C(Cl)S1	REAL300000478697	0	30	-3.0	-202.43	318.10	6.18	-196.25
CC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC=C2C(=O)[O-])C=C(Cl)S1	REAL300000478697	1	31	-2.0	-97.84	315.12	5.75	-92.09
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000478698	0	26	-3.0	-204.28	278.14	2.89	-201.39
O=C([O-])C1=CC=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1	REAL300000478699	0	37	-3.0	-211.37	337.28	5.10	-206.27
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300000478700	0	33	-3.0	-220.65	318.47	6.52	-214.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=CC=C1F	REAL300000478701	1	31	-2.0	-93.36	314.50	6.10	-87.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1	REAL300000478702	1	31	-2.0	-87.12	309.94	6.08	-81.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000478703	1	31	-2.0	-95.25	309.96	6.07	-89.18
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000478704	0	35	-2.0	-104.67	338.10	5.86	-98.81
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1	REAL300000478705	1	35	-2.0	-87.26	341.41	7.36	-79.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000478706	1	34	-2.0	-97.57	330.03	6.71	-90.86
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000478707	0	31	-2.0	-90.99	323.03	6.64	-84.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=CC=C1Cl	REAL300000478708	1	31	-2.0	-91.49	322.47	6.46	-85.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C1C	REAL300000478709	1	37	-2.0	-102.83	342.64	7.42	-95.41
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000478710	0	31	-2.0	-92.07	315.44	6.13	-85.94
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1	REAL300000478711	1	37	-2.0	-86.47	353.53	7.66	-78.81
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000478712	0	28	-2.0	-90.06	303.14	5.08	-84.98
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000478713	1	34	-2.0	-100.84	325.39	6.84	-94.00
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1	REAL300000478714	1	35	-2.0	-82.69	341.04	6.34	-76.35
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000478715	0	32	-2.0	-93.90	316.61	5.42	-88.48
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000478716	1	35	-2.0	-96.78	334.17	4.89	-91.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000478717	0	31	-2.0	-89.67	319.08	5.75	-83.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000478718	1	37	-2.0	-102.27	341.03	7.41	-94.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=CS1	REAL300000478719	0	28	-2.0	-91.47	301.61	5.10	-86.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000478720	1	35	-2.0	-101.15	337.24	6.13	-95.02
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000478721	1	37	-2.0	-94.86	340.11	7.78	-87.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000478722	0	31	-2.0	-89.97	312.97	5.20	-84.77
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000478723	0	35	-2.0	-99.70	338.95	5.16	-94.54
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000478724	1	34	-2.0	-91.56	330.67	6.88	-84.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000478725	0	31	-2.0	-93.01	318.56	5.96	-87.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C(Cl)=C1	REAL300000478726	0	31	-2.0	-81.87	323.01	6.63	-75.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1F	REAL300000478727	1	31	-2.0	-83.92	314.48	6.11	-77.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)S1	REAL300000478728	0	28	-2.0	-85.32	302.23	5.20	-80.12
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000478729	1	31	-2.0	-86.68	316.36	6.13	-80.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C1F	REAL300000478730	0	34	-2.0	-97.73	335.73	6.77	-90.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C(F)=C1	REAL300000478731	0	31	-2.0	-83.21	315.42	6.14	-77.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1Cl	REAL300000478732	1	31	-2.0	-81.79	322.46	6.47	-75.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=CC(F)=C1F	REAL300000478733	1	31	-2.0	-85.47	320.78	6.16	-79.31
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000478734	0	32	-2.0	-95.02	319.67	3.78	-91.24
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000478734	1	32	-2.0	-101.44	318.84	4.58	-96.86
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1	REAL300000478735	1	34	-2.0	-90.85	332.13	6.85	-84.00
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000478736	1	34	-2.0	-92.00	320.03	6.71	-85.29
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=CC(C(=O)[O-])=C1F	REAL300000478737	1	34	-2.0	-94.58	334.81	6.72	-87.86
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000478738	1	34	-2.0	-84.46	325.37	6.84	-77.62
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=CC(C(=O)[O-])=C1C	REAL300000478739	1	37	-2.0	-97.88	342.85	7.13	-90.75
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000478740	0	31	-2.0	-84.26	321.72	6.19	-78.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000478741	1	37	-2.0	-98.80	344.44	7.46	-91.34
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000478742	0	34	-2.0	-98.63	335.28	6.75	-91.88
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000478743	0	34	-2.0	-102.53	335.00	6.76	-95.77
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000478744	1	37	-2.0	-96.81	344.20	7.25	-89.56
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000478745	0	35	-2.0	-95.05	337.98	6.28	-88.77
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000478746	1	34	-2.0	-84.07	325.96	6.61	-77.46
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000478747	1	34	-2.0	-98.84	329.50	6.91	-91.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C1F	REAL300000478748	0	31	-2.0	-101.92	313.62	6.10	-95.82
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C1C(=O)[O-]	REAL300000478749	1	34	-2.0	-88.29	334.90	6.75	-81.54
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000478750	0	30	-2.0	-96.80	306.95	4.12	-92.68
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000478751	0	35	-2.0	-91.08	338.16	5.86	-85.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)=C(Cl)O1	REAL300000478752	0	28	-2.0	-84.01	310.11	5.04	-78.97
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000478753	0	34	-2.0	-89.89	332.09	6.05	-83.84
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478754	0	39	-2.0	-115.58	362.94	6.94	-108.64
CC1=C([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478755	1	38	-2.0	-110.56	344.07	6.14	-104.42
CC1=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478757	0	33	-2.0	-120.17	316.66	6.56	-113.61
CC1=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478758	0	36	-2.0	-108.14	339.91	5.94	-102.20
CC1=C([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478758	1	35	-3.0	-162.98	341.59	6.00	-156.98
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478759	0	32	-2.0	-102.05	320.02	4.92	-97.13
CC1=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478760	1	34	-2.0	-109.11	328.98	6.68	-102.43
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478761	1	34	-2.0	-104.76	328.97	6.68	-98.08
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478762	0	33	-2.0	-107.89	333.09	6.98	-100.91
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478763	0	34	-2.0	-119.24	328.96	6.67	-112.57
CC1=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478764	0	36	-2.0	-134.71	339.41	6.82	-127.89
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478764	1	35	-3.0	-175.58	341.12	6.88	-168.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000478765	0	38	-2.0	-110.03	352.50	7.49	-102.54
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478766	0	36	-2.0	-106.23	324.40	4.12	-102.11
CC1=C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478767	1	43	-2.0	-114.06	370.88	8.77	-105.29
CC1=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478768	0	36	-2.0	-104.97	334.85	6.80	-98.17
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478768	1	35	-3.0	-163.63	336.60	6.86	-156.77
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478769	0	41	-2.0	-121.15	368.56	5.48	-115.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1OC	REAL300000478770	1	41	-2.0	-110.39	366.85	5.49	-104.90
CC1=C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478771	1	40	-2.0	-114.17	353.68	8.20	-105.97
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478772	0	35	-2.0	-100.71	323.90	5.36	-95.35
CC1=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478773	0	36	-2.0	-95.27	334.96	6.79	-88.48
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478773	1	35	-3.0	-179.22	336.62	6.85	-172.37
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478774	1	33	-2.0	-102.02	320.82	6.41	-95.61
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478775	1	36	-2.0	-113.42	329.58	6.96	-106.46
CC1=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478777	1	33	-2.0	-108.85	324.88	6.81	-102.04
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000478778	0	38	-2.0	-110.66	348.59	6.68	-103.98
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478779	1	39	-2.0	-113.69	347.72	7.83	-105.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1C	REAL300000478780	1	39	-2.0	-114.20	346.54	7.49	-106.71
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478781	1	33	-2.0	-102.32	330.71	6.86	-95.46
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478782	1	38	-2.0	-122.75	350.93	6.77	-115.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(C)=C1	REAL300000478783	1	39	-2.0	-112.80	347.77	7.82	-104.98
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478784	0	39	-2.0	-124.99	356.05	7.78	-117.21
CC1=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478785	1	45	-2.0	-111.85	384.38	8.61	-103.24
CC1=C([N-]S(=O)(=O)C2=CC=C(C(C)C)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478786	1	42	-2.0	-111.85	368.40	8.22	-103.63
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000478787	1	45	-2.0	-111.58	386.84	8.88	-102.70
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478788	0	30	-2.0	-104.11	319.79	6.02	-98.09
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000478789	1	42	-2.0	-111.89	372.55	8.51	-103.38
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478790	0	37	-2.0	-119.41	339.10	6.19	-113.22
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000478791	0	39	-2.0	-134.80	350.38	7.30	-127.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000478791	1	38	-3.0	-180.64	352.81	7.39	-173.25
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478792	0	33	-2.0	-104.74	328.89	6.59	-98.15
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478793	0	33	-2.0	-113.11	323.95	6.96	-106.15
CC1=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478794	0	35	-2.0	-109.25	336.37	6.96	-102.29
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478795	0	38	-2.0	-110.49	354.54	7.84	-102.65
CC1=C([N-]S(=O)(=O)C2=CC=CS2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478796	0	30	-2.0	-110.07	302.79	5.40	-104.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000478797	1	37	-2.0	-110.16	337.65	5.59	-104.57
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478798	0	35	-2.0	-122.69	331.93	7.82	-114.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000478799	1	36	-2.0	-112.74	329.57	6.97	-105.77
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000478800	1	40	-2.0	-109.78	359.51	6.51	-103.27
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478801	0	33	-2.0	-107.12	322.76	6.53	-100.59
CC1=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478802	0	33	-2.0	-109.01	314.56	6.36	-102.65
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478803	0	33	-2.0	-102.64	320.98	6.43	-96.21
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1C	REAL300000478804	1	45	-2.0	-112.76	371.65	8.99	-103.77
CC1=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478805	1	39	-2.0	-112.20	352.61	5.44	-106.76
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(C)=C1	REAL300000478806	1	42	-2.0	-112.26	359.95	8.65	-103.61
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478807	1	33	-2.0	-105.70	324.89	6.81	-98.89
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478808	0	35	-2.0	-100.13	336.38	6.96	-93.17
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478809	1	33	-2.0	-112.77	308.12	6.29	-106.48
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000478810	1	40	-2.0	-118.20	364.01	5.19	-113.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)S1	REAL300000478811	0	33	-2.0	-111.11	324.64	6.20	-104.91
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478812	0	35	-3.0	-177.66	344.76	7.03	-170.63
CC1=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478813	0	38	-2.0	-106.28	349.22	7.65	-98.63
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478814	0	33	-2.0	-111.25	322.73	6.53	-104.72
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478815	1	37	-2.0	-107.66	343.90	3.11	-104.55
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000478816	1	37	-2.0	-109.88	348.36	7.31	-102.57
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478817	1	38	-2.0	-108.86	350.17	4.74	-104.12
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478818	0	32	-3.0	-171.41	332.47	5.98	-165.43
CC1=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478819	1	36	-2.0	-107.11	339.91	3.79	-103.32
COC(=O)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478820	1	35	-2.0	-106.26	326.83	4.87	-101.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478821	0	39	-2.0	-130.94	354.19	7.76	-123.18
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478821	1	38	-3.0	-182.23	354.72	7.74	-174.49
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478822	0	39	-2.0	-109.37	348.43	5.48	-103.89
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000478823	0	39	-2.0	-106.87	362.93	6.95	-99.92
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000478824	0	40	-2.0	-111.14	364.60	4.57	-106.57
CC1=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478825	0	37	-2.0	-111.14	342.66	3.07	-108.07
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000478826	1	39	-2.0	-112.20	351.05	7.73	-104.47
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478827	1	39	-2.0	-114.93	354.07	8.57	-106.36
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000478828	1	43	-2.0	-110.95	384.73	6.80	-104.15
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(C)=C1	REAL300000478829	1	43	-2.0	-108.83	367.24	7.20	-101.63
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(C)C)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478830	1	45	-2.0	-112.18	389.37	8.97	-103.21
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478831	1	33	-2.0	-105.00	314.57	6.36	-98.64
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478832	0	33	-2.0	-116.09	316.31	6.46	-109.63
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478833	0	39	-2.0	-124.74	363.68	4.98	-119.76
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000478834	1	43	-2.0	-109.24	381.00	7.31	-101.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(Cl)=C1	REAL300000478835	0	36	-2.0	-112.76	345.36	7.62	-105.14
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478836	1	36	-2.0	-105.07	332.75	7.22	-97.85
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478837	0	33	-2.0	-104.74	330.39	7.03	-97.71
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478839	0	36	-3.0	-176.34	343.27	6.19	-170.15
CC1=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478839	1	37	-2.0	-96.35	343.50	6.20	-90.15
CC1=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478840	0	33	-2.0	-117.88	328.28	5.97	-111.91
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478841	0	38	-2.0	-109.61	350.16	2.43	-107.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1F	REAL300000478842	1	37	-2.0	-108.02	343.84	5.66	-102.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1C	REAL300000478843	1	40	-2.0	-111.08	357.74	6.33	-104.75
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1C	REAL300000478844	1	43	-2.0	-110.75	379.59	7.26	-103.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1C(N)=O	REAL300000478845	1	40	-2.0	-106.81	358.64	3.75	-103.06
CC1=C([N-]S(=O)(=O)C2=CN(C)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478846	0	33	-2.0	-108.38	312.70	3.99	-104.39
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478847	0	38	-2.0	-100.35	354.52	7.84	-92.51
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=CN1C	REAL300000478849	0	41	-2.0	-110.02	372.06	3.94	-106.08
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478850	1	36	-2.0	-109.58	343.04	7.68	-101.90
CC1=C([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478851	1	40	-2.0	-105.05	367.66	6.72	-98.33
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1C	REAL300000478852	1	43	-2.0	-110.09	384.39	7.29	-102.80
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478853	0	34	-2.0	-101.49	344.33	7.09	-94.40
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478854	1	34	-2.0	-102.14	344.37	7.09	-95.05
CC1=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478855	0	37	-2.0	-116.83	346.52	6.66	-110.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1Cl	REAL300000478856	1	36	-2.0	-109.51	343.59	7.39	-102.12
CC1=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478857	0	33	-2.0	-112.12	332.49	6.97	-105.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1F	REAL300000478858	1	36	-2.0	-109.30	334.84	7.00	-102.30
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478859	1	36	-2.0	-105.85	343.08	7.67	-98.18
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478860	0	36	-2.0	-116.40	337.74	7.13	-109.27
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478861	0	36	-2.0	-109.91	332.72	7.23	-102.68
CC1=C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478862	1	39	-2.0	-110.95	368.20	8.36	-102.59
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478863	0	38	-2.0	-123.01	348.19	8.73	-114.28
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478864	0	32	-3.0	-173.70	328.27	5.88	-167.82
CC1=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478864	1	33	-2.0	-95.82	327.90	5.87	-89.95
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478865	0	35	-2.0	-115.93	338.41	7.88	-108.05
CC1=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478866	0	35	-2.0	-118.31	344.21	7.78	-110.53
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(C)=C1	REAL300000478867	1	40	-2.0	-110.26	355.77	6.48	-103.78
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1C	REAL300000478868	1	43	-2.0	-111.56	375.85	7.21	-104.35
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478869	0	37	-2.0	-116.20	342.00	4.76	-111.44
CC1=C([N-]S(=O)(=O)C2=CNN=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478870	0	30	-2.0	-105.74	289.74	2.68	-103.06
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478871	0	37	-2.0	-103.67	348.63	6.76	-96.91
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478872	0	33	-2.0	-109.56	323.08	6.63	-102.93
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C(C(=O)[O-])O1	REAL300000478873	0	35	-3.0	-171.42	342.28	6.11	-165.31
CC1=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478874	0	36	-2.0	-132.22	339.02	5.60	-126.62
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478875	0	43	-2.0	-121.23	382.33	7.77	-113.46
CC1=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478876	0	35	-2.0	-126.67	336.12	7.95	-118.72
CC1=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478877	0	32	-2.0	-102.40	309.53	4.56	-97.84
CC1=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478878	0	38	-2.0	-113.16	346.98	6.84	-106.32
CC1=C([N-]S(=O)(=O)C2=CN(C)C=N2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478879	0	33	-2.0	-119.00	314.83	5.49	-113.51
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(C)=C1	REAL300000478880	1	43	-2.0	-109.95	377.63	7.39	-102.56
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C)C([N+](=O)[O-])=CC(C(=O)[O-])=C3)C=C12	REAL300000478881	0	37	-2.0	-100.80	350.56	3.38	-97.42
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478882	0	33	-2.0	-100.72	324.11	4.80	-95.92
CC1=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478883	0	33	-2.0	-112.82	322.60	6.53	-106.29
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478884	0	39	-2.0	-117.66	353.95	6.04	-111.62
CC1=NC(S(=O)(=O)[N-]C2=C(C)C([N+](=O)[O-])=CC(C(=O)[O-])=C2)=CN1C	REAL300000478885	0	36	-2.0	-119.55	334.51	5.28	-114.27
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=N1	REAL300000478886	0	36	-2.0	-108.16	336.89	4.96	-103.20
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478887	1	40	-2.0	-114.19	363.23	6.01	-108.18
CC1=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478888	1	38	-2.0	-110.35	344.13	5.59	-104.76
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478889	0	33	-2.0	-108.64	330.35	7.04	-101.60
CC1=C([N-]S(=O)(=O)CCOCC(F)(F)F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478890	1	36	-2.0	-104.21	346.47	4.54	-99.67
CC1=C([N-]S(=O)(=O)C2=CC=C3OC(C)CC3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478891	1	41	-2.0	-110.75	365.08	6.87	-103.88
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478892	0	33	-2.0	-106.08	311.21	3.45	-102.63
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478893	0	37	-2.0	-114.24	337.66	5.59	-108.65
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478894	1	36	-2.0	-112.79	326.35	7.17	-105.62
CC1=C([N-]S(=O)(=O)C2=NN(C)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478896	0	33	-2.0	-116.38	315.83	3.93	-112.45
CC1=C([N-]S(=O)(=O)C2=CC=NN2C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478897	0	33	-2.0	-102.45	311.06	4.03	-98.42
COCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478898	1	33	-2.0	-105.27	305.04	3.11	-102.16
CC1=C([N-]S(=O)(=O)CC2CCCO2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478899	1	37	-2.0	-116.10	330.16	4.61	-111.49
CC1=C([N-]S(=O)(=O)CC2CCCCO2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478900	1	40	-2.0	-114.23	347.67	5.70	-108.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(F)=C1	REAL300000478903	0	36	-2.0	-115.49	337.72	7.13	-108.36
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=CC=C1F	REAL300000478904	1	36	-2.0	-105.53	334.88	6.99	-98.54
CC1=C([N-]S(=O)(=O)C2=CNC=N2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478905	0	30	-2.0	-117.16	292.12	3.79	-113.37
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)O1	REAL300000478906	0	36	-2.0	-104.25	350.35	5.19	-99.06
CC1=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478907	0	38	-2.0	-127.93	350.76	7.03	-120.90
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478908	0	33	-2.0	-102.70	329.00	6.59	-96.11
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=CN=C1Cl	REAL300000478909	0	35	-2.0	-102.74	338.80	5.51	-97.23
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478910	0	39	-2.0	-119.93	368.98	4.00	-115.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(C)=C1C	REAL300000478911	1	43	-2.0	-111.24	372.16	7.10	-104.14
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478913	0	45	-2.0	-110.04	386.25	6.93	-103.11
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)SC=C1	REAL300000478914	0	33	-2.0	-111.24	319.05	6.23	-105.01
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1C	REAL300000478915	0	42	-2.0	-109.86	367.59	6.23	-103.63
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=CC=C1[N+](=O)[O-]	REAL300000478916	0	38	-2.0	-100.61	352.53	7.48	-93.13
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478919	1	37	-2.0	-109.91	347.09	7.57	-102.34
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478920	1	45	-2.0	-113.04	363.18	8.59	-104.45
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478921	1	37	-2.0	-104.92	347.06	7.57	-97.35
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478922	1	45	-2.0	-111.00	369.49	9.79	-101.21
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478924	0	34	-2.0	-106.90	337.16	6.85	-100.05
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3C)C=C2O1	REAL300000478925	0	38	-2.0	-109.07	351.82	3.95	-105.12
CC1=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478926	0	39	-2.0	-108.47	352.91	5.37	-103.10
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478928	1	38	-2.0	-112.21	349.12	6.68	-105.53
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=N1	REAL300000478929	0	39	-2.0	-114.55	367.53	5.06	-109.49
CC1=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478930	0	39	-2.0	-116.36	354.78	4.83	-111.53
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478933	0	33	-2.0	-96.23	329.81	6.59	-89.64
CC1=C([N-]S(=O)(=O)CCOC(C)C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478934	1	39	-2.0	-105.90	347.17	4.82	-101.08
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=CN1C	REAL300000478935	0	40	-2.0	-114.38	369.32	6.39	-107.99
CC1=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478936	0	36	-2.0	-109.81	339.30	6.83	-102.98
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478936	1	35	-3.0	-162.49	341.10	6.89	-155.60
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=CC(C)=C1F	REAL300000478937	1	39	-2.0	-105.81	357.84	7.74	-98.07
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478938	0	32	-3.0	-165.15	331.54	6.09	-159.06
CC1=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478939	0	42	-2.0	-118.56	375.39	7.37	-111.19
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478940	0	35	-3.0	-168.80	343.03	6.91	-161.89
CC1=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478940	1	36	-2.0	-123.91	341.28	6.85	-117.06
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=CN1	REAL300000478941	0	37	-2.0	-111.84	351.55	4.63	-107.21
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478942	0	35	-3.0	-162.91	344.78	7.03	-155.88
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=C(C)C([N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300000478943	1	36	-2.0	-107.96	331.61	7.20	-100.76
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)S1	REAL300000478944	0	35	-2.0	-107.31	335.08	5.00	-102.31
CC1=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478945	1	37	-2.0	-118.66	350.41	7.46	-111.20
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478946	1	39	-2.0	-113.69	351.06	7.72	-105.97
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478947	0	36	-2.0	-108.97	335.98	7.02	-101.95
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478949	0	39	-2.0	-105.34	368.71	5.86	-99.48
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C(F)C=C1F	REAL300000478950	0	36	-2.0	-107.19	343.02	7.16	-100.03
CC1=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478951	0	39	-2.0	-120.49	351.86	8.72	-111.77
CC1=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478952	0	35	-2.0	-108.55	340.14	5.77	-102.78
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478953	0	36	-3.0	-181.59	348.99	4.68	-176.91
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478953	1	36	-3.0	-171.46	343.01	5.53	-165.93
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478954	1	43	-2.0	-116.70	366.14	9.03	-107.67
CC1=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478955	0	39	-2.0	-104.37	357.10	7.57	-96.80
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478955	1	38	-3.0	-170.16	358.79	7.63	-162.53
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)O1	REAL300000478956	0	39	-2.0	-104.27	372.22	6.12	-98.15
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478957	0	35	-2.0	-100.80	342.80	7.03	-93.77
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)SC=C1	REAL300000478959	0	34	-2.0	-121.32	332.97	4.68	-116.64
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478960	0	36	-2.0	-112.26	340.58	6.80	-105.46
CC1=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478961	0	33	-2.0	-99.98	325.80	5.35	-94.63
CC1=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478962	0	33	-2.0	-112.75	331.16	5.22	-107.53
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=CC(OC)=C1	REAL300000478963	0	41	-2.0	-114.77	367.15	4.90	-109.87
CC1=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478964	0	34	-2.0	-115.01	326.70	5.13	-109.88
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478965	0	34	-2.0	-102.66	333.04	4.24	-98.42
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)S1	REAL300000478966	0	32	-2.0	-107.17	319.35	4.22	-102.95
CC1=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478967	0	39	-2.0	-95.11	348.72	7.64	-87.47
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478967	1	38	-3.0	-173.72	349.46	7.58	-166.14
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478968	1	40	-2.0	-108.01	360.52	3.34	-104.67
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478969	0	39	-2.0	-106.41	354.17	7.77	-98.64
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478969	1	38	-3.0	-164.31	354.69	7.74	-156.57
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478970	0	34	-2.0	-109.15	337.45	6.97	-102.18
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1F	REAL300000478971	0	36	-2.0	-110.96	343.01	7.18	-103.78
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1CC	REAL300000478972	1	45	-2.0	-113.99	385.22	8.86	-105.13
CC1=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478974	0	39	-2.0	-118.08	356.26	6.78	-111.30
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=N1	REAL300000478975	0	38	-2.0	-102.58	358.89	5.11	-97.47
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478976	1	41	-2.0	-122.64	371.24	7.56	-115.08
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=N1	REAL300000478977	0	40	-2.0	-106.50	370.56	4.01	-102.49
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C([N+](=O)[O-])=N1	REAL300000478978	0	38	-2.0	-114.11	361.14	7.23	-106.88
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1C#N	REAL300000478980	0	37	-2.0	-119.64	348.07	7.18	-112.46
CC1=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478981	0	42	-2.0	-111.32	383.81	8.05	-103.27
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478982	0	39	-2.0	-118.29	358.14	7.16	-111.13
CC1=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478983	0	41	-2.0	-106.98	366.19	4.03	-102.95
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1F	REAL300000478984	0	36	-2.0	-116.93	336.62	7.11	-109.82
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=N1	REAL300000478985	0	39	-2.0	-104.64	357.19	3.90	-100.74
CC1=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478986	0	40	-2.0	-120.00	356.76	6.43	-113.57
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000478987	1	40	-2.0	-112.28	363.23	6.02	-106.26
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478988	0	38	-2.0	-117.12	350.08	3.38	-113.74
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1Cl	REAL300000478989	0	36	-2.0	-113.98	342.68	7.54	-106.44
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C(C)O1	REAL300000478991	0	36	-2.0	-110.24	333.77	5.98	-104.26
CC1=C([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478992	1	41	-2.0	-111.81	361.86	6.92	-104.89
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000478993	0	40	-2.0	-110.89	357.48	6.42	-104.47
CC1=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478994	1	43	-2.0	-109.87	377.10	7.13	-102.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)O1	REAL300000478995	0	33	-2.0	-110.19	315.41	5.22	-104.97
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000478996	0	36	-2.0	-111.91	343.03	6.76	-105.15
CC1=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478997	1	36	-2.0	-108.10	334.21	4.95	-103.15
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478998	0	35	-2.0	-98.06	340.86	6.98	-91.08
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000478999	0	33	-2.0	-103.00	331.30	6.88	-96.12
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C(C)O1	REAL300000479000	0	39	-2.0	-106.76	368.67	5.96	-100.80
CC1=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479001	0	32	-2.0	-102.58	319.87	4.98	-97.60
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)N=C1C	REAL300000479002	0	39	-2.0	-119.44	356.55	6.19	-113.25
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479003	0	36	-2.0	-113.51	345.37	7.63	-105.88
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000479004	0	39	-3.0	-177.70	364.64	7.06	-170.64
CCN1C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000479004	1	40	-2.0	-96.25	367.55	7.17	-89.08
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479005	0	36	-2.0	-108.68	350.70	5.15	-103.53
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479006	0	45	-2.0	-110.82	390.29	6.96	-103.86
CC1=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479007	0	33	-2.0	-116.35	326.88	7.20	-109.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(Cl)=N1	REAL300000479008	0	35	-2.0	-109.66	340.71	5.72	-103.94
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479009	0	38	-2.0	-110.44	359.90	6.58	-103.86
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)S1	REAL300000479010	0	35	-2.0	-106.77	340.84	4.97	-101.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(C)=C1F	REAL300000479011	1	40	-2.0	-107.14	360.90	6.52	-100.62
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479012	0	34	-2.0	-104.44	344.74	7.35	-97.09
CC1=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479013	0	36	-2.0	-120.34	338.79	6.71	-113.63
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479014	0	38	-2.0	-107.57	358.08	5.15	-102.42
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479015	0	43	-2.0	-118.99	374.36	8.16	-110.83
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479019	0	33	-2.0	-104.62	339.85	6.62	-98.00
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479020	1	36	-2.0	-112.06	340.36	7.16	-104.90
CC1=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479021	0	36	-2.0	-107.21	349.89	5.25	-101.96
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479022	0	37	-2.0	-119.02	346.95	7.45	-111.57
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479023	1	42	-2.0	-115.93	364.81	8.39	-107.54
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=CC=C1F	REAL300000479024	1	37	-2.0	-104.48	343.84	5.66	-98.82
CC1=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479025	0	32	-2.0	-116.90	323.51	6.80	-110.10
CC1=C([N-]S(=O)(=O)C2=CC=CO2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479026	0	30	-2.0	-109.16	293.50	4.38	-104.78
CC1=C([N-]S(=O)(=O)C2=CN=NN2C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479027	0	32	-2.0	-98.14	305.22	2.81	-95.33
CC1=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479028	0	38	-2.0	-105.70	352.53	5.42	-100.28
CC1=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479029	0	32	-2.0	-102.39	329.33	6.05	-96.34
CC1=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479030	0	37	-2.0	-113.63	338.94	5.83	-107.80
CC1=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479031	0	34	-2.0	-108.83	344.73	7.36	-101.47
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479032	1	39	-2.0	-112.13	337.60	7.97	-104.16
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479033	0	41	-2.0	-126.21	362.13	6.80	-119.41
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479035	0	36	-2.0	-117.41	327.76	7.25	-110.16
CC1=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479036	0	37	-2.0	-123.81	349.22	6.48	-117.33
CC1=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479038	0	34	-2.0	-117.61	335.59	4.70	-112.91
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479039	0	36	-2.0	-108.11	332.70	3.75	-104.36
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C)OCO2	REAL300000479040	1	39	-2.0	-108.96	352.31	5.83	-103.13
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479043	0	37	-2.0	-113.13	337.52	7.67	-105.46
CC1=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479044	1	37	-2.0	-118.96	350.42	7.45	-111.51
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479045	1	39	-2.0	-104.55	344.60	8.06	-96.49
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(N)=NO1	REAL300000479046	0	34	-2.0	-100.25	318.35	3.77	-96.48
CC1=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479047	0	34	-2.0	-106.88	335.65	5.06	-101.82
CC1=C([N-]S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479048	0	44	-2.0	-113.52	389.40	7.07	-106.45
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479049	1	40	-2.0	-115.04	355.79	6.46	-108.58
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479051	0	31	-2.0	-102.27	323.34	5.96	-96.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=N1	REAL300000479052	0	35	-2.0	-108.82	324.76	5.12	-103.70
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479053	0	38	-2.0	-111.01	349.34	6.65	-104.36
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=CC=C1C#N	REAL300000479054	1	37	-2.0	-104.41	348.13	7.18	-97.23
CC1=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479055	0	32	-2.0	-96.83	325.89	4.97	-91.86
COC(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479056	1	36	-2.0	-111.95	324.15	4.05	-107.90
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(F)=C1	REAL300000479057	0	37	-2.0	-112.65	345.85	5.76	-106.89
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479058	0	39	-2.0	-111.23	353.86	6.80	-104.43
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479059	1	36	-2.0	-109.01	340.34	7.16	-101.85
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)N(C)N=C1	REAL300000479061	0	36	-2.0	-103.37	327.69	4.86	-98.51
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479063	0	31	-2.0	-102.25	314.75	4.94	-97.31
CC1=C([N-]S(=O)(=O)C2=CSC=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479064	0	30	-2.0	-108.48	299.27	5.19	-103.29
CC1=C([N-]S(=O)(=O)C2=COC=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479065	0	30	-2.0	-108.51	290.69	4.17	-104.34
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000479066	0	39	-2.0	-102.34	350.97	7.34	-95.00
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000479066	1	38	-3.0	-163.91	352.60	7.39	-156.52
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=N1	REAL300000479067	0	36	-2.0	-104.71	335.34	2.97	-101.74
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479068	0	33	-2.0	-111.10	333.05	6.99	-104.11
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479069	0	44	-2.0	-115.14	388.89	7.54	-107.60
CC1=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479070	0	36	-2.0	-113.21	347.32	7.77	-105.44
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479071	0	36	-2.0	-116.37	337.43	5.03	-111.34
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479072	0	40	-2.0	-114.23	359.51	6.51	-107.72
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479073	0	39	-2.0	-136.38	355.22	3.98	-132.40
CC1=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479074	0	30	-2.0	-112.24	318.80	5.85	-106.39
CC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479075	0	33	-2.0	-110.06	324.39	6.07	-103.99
CC1=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479076	0	30	-2.0	-105.48	309.11	3.21	-102.27
CC1=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479077	0	32	-2.0	-103.91	317.71	4.51	-99.40
CC1=C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479078	0	42	-2.0	-105.86	372.34	5.34	-100.52
CC1=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479079	0	42	-2.0	-105.11	377.33	4.83	-100.28
CC1=C([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479080	1	41	-2.0	-109.86	368.69	7.25	-102.61
CC1=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479081	0	36	-2.0	-106.44	347.00	6.87	-99.57
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479082	0	38	-2.0	-119.94	351.97	5.97	-113.97
CC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479083	0	32	-2.0	-103.36	319.32	4.70	-98.66
CC1=C([N-]S(=O)(=O)N=S2(=O)CCCC2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479085	0	37	-2.0	-137.23	341.96	3.67	-133.56
CC1=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479086	1	40	-2.0	-111.87	357.35	8.39	-103.48
CC1=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479087	0	30	-2.0	-115.31	309.10	5.44	-109.87
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479088	0	34	-2.0	-101.52	334.83	6.72	-94.80
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C)C1=CC=CC=C1	REAL300000479089	0	43	-2.0	-110.17	380.11	6.86	-103.31
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)CC1	REAL300000479090	1	37	-2.0	-116.05	331.12	5.43	-110.62
CC1=C([N-]S(=O)(=O)N=S(C)(C)=O)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479091	0	33	-2.0	-134.91	316.17	2.34	-132.57
CC1=C([N-]S(=O)(=O)C2=NC=CN2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479092	0	30	-2.0	-110.47	292.44	2.98	-107.49
CC1=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479093	0	38	-2.0	-116.59	347.81	3.31	-113.28
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)S1	REAL300000479094	0	36	-2.0	-113.37	342.25	6.93	-106.44
CC1=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479095	0	34	-2.0	-100.21	331.50	5.14	-95.07
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479096	0	35	-2.0	-101.61	338.37	5.77	-95.84
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)CC1	REAL300000479099	1	42	-2.0	-125.68	370.64	7.92	-117.76
CC1=C(S(=O)(=O)[N-]C2=C(C)C([N+](=O)[O-])=CC(C(=O)[O-])=C2)C=NN1C	REAL300000479100	0	36	-2.0	-110.35	331.49	4.63	-105.72
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000479101	1	37	-2.0	-112.52	339.25	7.38	-105.14
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479102	0	36	-2.0	-108.97	334.21	4.76	-104.21
CC1=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479103	0	33	-2.0	-102.02	323.97	4.89	-97.13
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479104	1	41	-2.0	-106.33	356.44	6.26	-100.07
CC1=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479106	0	33	-2.0	-105.97	326.47	3.93	-102.04
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479107	0	37	-2.0	-121.18	362.40	3.04	-118.14
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479108	0	35	-3.0	-181.47	342.92	6.99	-174.48
CC1=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479109	0	35	-2.0	-122.19	342.05	5.81	-116.38
CC1=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479110	1	38	-2.0	-114.54	343.96	6.13	-108.41
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479112	0	36	-2.0	-113.53	335.25	7.78	-105.75
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479113	0	38	-2.0	-121.66	347.17	6.21	-115.45
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C)OC	REAL300000479114	1	39	-2.0	-111.34	342.37	5.03	-106.31
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479115	1	45	-2.0	-111.31	381.02	6.31	-105.00
CC1=C([N-]S(=O)(=O)CCOCC2CC2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479116	1	40	-2.0	-105.69	358.57	5.66	-100.03
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(F)=C1	REAL300000479118	0	36	-2.0	-118.67	340.72	7.35	-111.32
CC1=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479119	0	38	-2.0	-110.61	352.01	4.74	-105.87
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C)C1CC1	REAL300000479120	0	40	-2.0	-111.44	350.00	5.68	-105.76
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479121	0	37	-2.0	-115.98	345.49	6.26	-109.72
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479122	0	32	-2.0	-100.84	307.76	4.35	-96.49
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=CC=C1Cl	REAL300000479123	1	36	-2.0	-106.47	343.62	7.39	-99.08
CC1=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479124	1	39	-2.0	-121.01	356.25	7.28	-113.73
CC1=C([N-]S(=O)(=O)N=S(C)(=O)N(C)C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479125	0	38	-2.0	-123.54	352.47	2.34	-121.20
CC1=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479126	0	32	-2.0	-112.42	311.32	4.58	-107.84
CC1=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479129	0	32	-2.0	-101.23	309.57	4.44	-96.79
CC1=C([N-]S(=O)(=O)CCOCC2CCC2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479130	1	43	-2.0	-105.77	375.14	6.19	-99.58
CC1=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479131	0	31	-2.0	-113.99	321.21	5.81	-108.18
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C)C(C)C	REAL300000479133	1	42	-2.0	-111.33	359.61	5.68	-105.65
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479134	0	33	-2.0	-102.60	330.71	6.86	-95.74
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479135	0	41	-2.0	-122.09	363.00	7.61	-114.48
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479141	1	40	-2.0	-122.58	364.09	3.73	-118.85
CC1=C([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479142	0	36	-2.0	-112.44	339.26	3.09	-109.35
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)N(C)N=C1	REAL300000479143	0	39	-2.0	-110.43	360.02	5.47	-104.96
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C)C1CC1	REAL300000479144	0	43	-2.0	-112.77	371.33	6.63	-106.14
CC1=NC=C(S(=O)(=O)[N-]C2=C(C)C([N+](=O)[O-])=CC(C(=O)[O-])=C2)N1C	REAL300000479145	0	36	-2.0	-107.57	329.97	5.45	-102.12
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C)C1CCCC1	REAL300000479146	0	46	-2.0	-108.27	380.55	6.65	-101.62
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)O1	REAL300000479147	0	39	-2.0	-104.77	368.25	5.77	-99.00
CC1=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479148	0	36	-2.0	-107.54	350.56	5.90	-101.64
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479149	0	32	-2.0	-104.75	328.17	5.00	-99.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(F)=C1F	REAL300000479150	0	36	-2.0	-112.66	342.91	7.18	-105.48
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)OC=C1	REAL300000479151	0	36	-2.0	-118.02	342.94	5.87	-112.15
CC1=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479152	0	35	-2.0	-122.87	337.90	5.38	-117.49
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(C)=N1	REAL300000479153	0	45	-2.0	-108.62	398.72	7.17	-101.45
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479154	0	34	-3.0	-176.15	335.49	5.09	-171.06
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479155	0	37	-2.0	-112.14	343.61	6.54	-105.60
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479156	0	34	-2.0	-102.70	335.38	6.75	-95.95
CC1=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479157	0	35	-2.0	-108.17	334.09	5.44	-102.73
CC1=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479157	1	35	-2.0	-122.67	333.99	5.59	-117.08
CC1=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479158	0	37	-2.0	-117.88	344.55	6.36	-111.52
CC1=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479159	0	43	-2.0	-106.97	371.81	6.51	-100.46
CC1=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479160	0	45	-2.0	-108.22	378.82	6.98	-101.24
CC1=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479162	0	43	-2.0	-108.31	375.56	6.63	-101.68
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479164	0	34	-2.0	-111.92	327.00	4.15	-107.77
CC1=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479164	1	34	-2.0	-98.58	321.05	5.01	-93.57
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1	REAL300000479165	1	43	-2.0	-111.73	385.36	9.07	-102.66
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479166	0	36	-2.0	-124.36	341.82	4.05	-120.31
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479167	0	39	-2.0	-109.27	353.67	5.55	-103.72
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1F	REAL300000479168	0	38	-2.0	-110.59	353.14	6.76	-103.83
CC1=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479169	0	33	-2.0	-103.33	313.37	3.63	-99.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(C#N)=C1	REAL300000479170	0	37	-2.0	-117.88	350.37	7.34	-110.54
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479171	0	37	-2.0	-120.41	342.59	7.62	-112.79
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479173	1	40	-2.0	-115.56	371.90	8.25	-107.31
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479174	1	39	-2.0	-105.45	354.93	8.49	-96.96
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479175	0	33	-2.0	-100.39	330.07	2.20	-98.19
CC1=C([N-]S(=O)(=O)CC2CCCC(C)(C)O2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479176	1	46	-2.0	-116.72	382.86	6.62	-110.10
CC1=C([N-]S(=O)(=O)C2=CC=NS2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479177	0	29	-2.0	-103.31	297.56	4.11	-99.20
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C(C(N)=O)O1	REAL300000479180	0	37	-2.0	-111.06	350.32	2.01	-109.05
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479181	1	42	-2.0	-113.10	359.17	8.74	-104.36
CC1=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479182	0	33	-2.0	-117.39	325.53	6.52	-110.87
CC1=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479184	0	38	-2.0	-119.77	347.06	6.90	-112.87
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479185	0	40	-2.0	-111.64	372.24	6.59	-105.05
CC1=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479186	0	34	-2.0	-112.62	336.66	6.82	-105.80
CC1=C([N-]S(=O)(=O)C2=CN(C)N=N2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479187	0	32	-2.0	-111.92	309.61	2.72	-109.20
CC1=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479188	0	40	-2.0	-108.46	358.06	5.96	-102.50
CC1=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479189	0	40	-2.0	-107.78	357.70	6.27	-101.51
CC1=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479190	0	43	-2.0	-104.99	380.41	7.00	-97.99
CC1=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479191	0	40	-2.0	-111.57	355.20	6.42	-105.15
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479192	0	36	-2.0	-107.40	333.69	7.07	-100.33
CC1=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479193	0	41	-2.0	-122.70	368.26	6.97	-115.73
CC1=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479194	0	41	-2.0	-107.70	379.50	6.06	-101.64
CC1=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479195	0	30	-2.0	-108.55	316.25	5.84	-102.71
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479196	0	38	-2.0	-125.11	348.84	5.90	-119.21
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479197	0	35	-2.0	-97.23	326.09	3.73	-93.50
CC1=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479199	0	34	-2.0	-100.17	323.04	5.07	-95.10
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479200	0	36	-2.0	-112.97	349.70	7.82	-105.15
CC1=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479201	0	40	-2.0	-103.66	362.76	6.12	-97.54
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(C)=C1F	REAL300000479202	1	42	-2.0	-108.11	366.46	8.76	-99.35
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1OC	REAL300000479203	0	41	-2.0	-117.15	366.60	6.33	-110.82
CC1=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479204	0	36	-2.0	-112.73	340.59	6.68	-106.05
CC1=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479205	0	40	-2.0	-111.73	366.11	6.31	-105.42
CC1=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479206	0	36	-2.0	-118.80	340.29	5.59	-113.21
CC1=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479207	0	38	-2.0	-127.69	355.36	4.80	-122.89
CC1=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479208	0	40	-2.0	-113.35	351.46	8.37	-104.98
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=CN=C1N	REAL300000479209	1	37	-2.0	-110.86	336.16	3.99	-106.87
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479210	0	33	-2.0	-107.74	328.11	2.27	-105.47
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)N=CN1	REAL300000479211	0	33	-2.0	-118.26	309.92	4.50	-113.76
CC1=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479213	0	36	-2.0	-109.36	344.54	6.79	-102.57
CC1=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479214	0	43	-2.0	-111.89	382.35	6.81	-105.08
CC1=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479215	0	30	-2.0	-108.40	316.65	5.94	-102.46
CC1=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479216	0	43	-2.0	-108.73	382.15	6.93	-101.80
CC1=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479217	0	37	-2.0	-116.96	348.94	7.51	-109.45
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479218	1	42	-2.0	-113.75	372.56	8.50	-105.25
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479219	0	39	-2.0	-101.41	367.10	4.74	-96.67
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479220	0	34	-2.0	-113.59	335.34	6.74	-106.85
CC1=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479221	0	40	-2.0	-107.77	356.50	5.94	-101.83
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479223	1	39	-2.0	-111.14	337.79	7.93	-103.21
CC1=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479224	0	42	-2.0	-102.26	359.04	6.37	-95.89
CC1=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479225	0	42	-2.0	-109.32	372.67	6.00	-103.32
CC1=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479226	0	40	-2.0	-108.87	359.44	5.48	-103.39
CC1=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479227	0	44	-2.0	-108.46	382.42	7.10	-101.36
CC1=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479228	1	36	-2.0	-111.98	336.15	7.11	-104.87
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479229	0	36	-2.0	-102.91	331.98	4.67	-98.24
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1C	REAL300000479231	1	39	-2.0	-113.56	343.32	7.71	-105.85
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479232	0	36	-2.0	-121.72	331.45	7.68	-114.04
CC1=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479233	0	34	-2.0	-109.92	343.45	7.25	-102.67
CC1=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479234	1	40	-2.0	-113.68	357.34	8.39	-105.29
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=CS1	REAL300000479235	0	34	-2.0	-115.80	333.08	4.84	-110.96
CC1=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479236	0	40	-2.0	-114.15	365.53	8.56	-105.59
CC1=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479237	0	43	-2.0	-105.53	375.59	7.01	-98.52
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479238	0	42	-2.0	-104.81	370.77	6.30	-98.51
CC1=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479240	0	38	-2.0	-120.32	354.42	4.76	-115.56
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)O1	REAL300000479241	0	36	-2.0	-110.23	336.90	6.00	-104.23
CC1=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479242	0	33	-2.0	-102.78	334.67	5.61	-97.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)S1	REAL300000479243	0	34	-2.0	-107.97	334.60	4.85	-103.12
CC1=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479244	0	36	-2.0	-105.84	343.48	5.11	-100.73
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479245	1	43	-2.0	-114.47	385.09	6.98	-107.49
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479246	0	36	-2.0	-115.91	331.38	7.36	-108.55
CC1=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479247	0	36	-2.0	-114.87	337.81	6.75	-108.12
CC1=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479248	0	35	-2.0	-112.84	339.11	5.68	-107.16
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=N1	REAL300000479249	0	35	-2.0	-107.60	331.52	3.26	-104.34
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1Cl	REAL300000479250	0	36	-2.0	-106.21	352.49	5.32	-100.89
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479251	0	30	-2.0	-103.88	310.56	5.02	-98.86
CC1=C([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479252	1	40	-2.0	-111.79	366.09	6.66	-105.13
CC1=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479254	0	37	-2.0	-111.39	354.63	7.72	-103.67
CC1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479255	0	33	-2.0	-109.44	315.40	5.06	-104.38
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=NN1	REAL300000479256	0	39	-2.0	-108.38	371.17	4.19	-104.19
CC1=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479257	0	32	-2.0	-96.52	325.78	4.92	-91.60
CC1=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479258	0	39	-2.0	-107.98	355.24	6.34	-101.64
CC1=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479259	1	40	-2.0	-118.28	361.87	8.05	-110.23
CC1=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479260	0	33	-2.0	-105.88	330.70	4.46	-101.42
CC1=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479261	0	31	-2.0	-112.95	314.97	4.85	-108.10
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479262	0	35	-2.0	-102.81	338.57	5.79	-97.02
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(C2CC2)=N1	REAL300000479263	0	43	-2.0	-111.94	387.62	7.20	-104.74
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(=O)NC(=O)N1	REAL300000479264	0	36	-2.0	-111.41	331.22	2.01	-109.40
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479266	0	30	-2.0	-107.34	309.59	4.91	-102.43
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479267	0	30	-2.0	-104.95	319.63	5.92	-99.03
CC1=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479268	0	41	-2.0	-104.19	363.09	4.14	-100.05
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479269	1	40	-2.0	-116.98	354.36	8.56	-108.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C(C)=N1	REAL300000479271	0	39	-2.0	-104.61	353.66	3.82	-100.79
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479272	0	39	-2.0	-115.24	358.22	4.23	-111.01
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C1C	REAL300000479273	0	39	-2.0	-105.57	355.47	3.70	-101.87
CC1=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479274	0	42	-2.0	-108.85	375.57	6.38	-102.47
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479275	0	42	-2.0	-109.21	374.39	6.14	-103.07
CC1=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479276	0	31	-2.0	-109.80	313.76	4.82	-104.98
CC1=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479277	0	31	-2.0	-117.54	322.87	5.73	-111.81
CC1=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479278	0	39	-2.0	-104.09	352.54	5.67	-98.42
CC1=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479279	0	40	-2.0	-104.03	363.03	6.51	-97.52
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479280	0	36	-2.0	-108.95	339.18	2.62	-106.33
CC1=C(S(=O)(=O)[N-]C2=C(C)C([N+](=O)[O-])=CC(C(=O)[O-])=C2)C=NN1C(C)C	REAL300000479281	0	42	-2.0	-110.78	375.30	6.14	-104.64
CC1=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479282	0	35	-2.0	-105.72	335.47	5.31	-100.41
CC1=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479284	0	34	-2.0	-112.18	319.18	3.44	-108.74
CC1=C([N-]S(=O)(=O)C2=CSN=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479285	0	29	-2.0	-101.79	293.81	3.89	-97.90
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300000479286	0	38	-2.0	-119.02	351.60	5.99	-113.03
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C(C(=O)[O-])O1	REAL300000479287	0	38	-3.0	-172.02	361.39	6.95	-165.07
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)C=C(Cl)S1	REAL300000479288	0	33	-2.0	-105.68	336.07	6.81	-98.87
CC1=C([N-]S(=O)(=O)C2=CN=CS2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479289	0	29	-2.0	-106.09	297.40	3.51	-102.58
CC1=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479290	0	40	-2.0	-111.76	356.53	5.71	-106.05
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2C)=C1	REAL300000479291	0	36	-2.0	-116.40	337.74	7.13	-109.27
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000479292	0	38	-2.0	-98.23	350.91	3.00	-95.23
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000479293	0	31	-2.0	-114.88	298.98	4.45	-110.43
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C	REAL300000479294	0	39	-2.0	-116.45	354.05	5.53	-110.92
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000479295	0	31	-2.0	-112.48	310.86	5.12	-107.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C	REAL300000479296	0	35	-2.0	-123.81	322.58	4.22	-119.59
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000479297	0	31	-2.0	-113.06	310.69	4.90	-108.16
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000479298	0	35	-2.0	-104.35	325.90	5.70	-98.65
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000479299	0	34	-2.0	-119.07	310.46	4.95	-114.12
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000479300	0	31	-2.0	-113.34	307.51	4.97	-108.37
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000479301	0	31	-2.0	-113.40	306.96	4.81	-108.59
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000479302	0	31	-2.0	-108.81	320.01	5.34	-103.47
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000479303	0	37	-2.0	-121.02	327.11	5.76	-115.26
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000479304	0	31	-2.0	-115.30	299.92	4.47	-110.83
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000479305	0	37	-2.0	-103.76	338.02	6.00	-97.76
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000479306	0	28	-2.0	-111.92	287.63	3.43	-108.49
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000479307	0	34	-2.0	-118.86	309.87	5.20	-113.66
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000479308	0	35	-2.0	-102.97	325.52	4.69	-98.28
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000479309	0	42	-2.0	-99.69	371.30	5.48	-94.21
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000479310	0	28	-2.0	-108.66	304.62	4.18	-104.48
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000479311	0	35	-2.0	-119.53	318.23	3.25	-116.28
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000479312	0	31	-2.0	-113.11	319.36	5.06	-108.05
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000479313	0	31	-2.0	-107.69	303.56	4.09	-103.60
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000479314	0	37	-2.0	-120.30	325.90	5.73	-114.57
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000479315	0	28	-2.0	-113.34	286.10	3.44	-109.90
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C)=CC(C(=O)[O-])=C1OC	REAL300000479316	0	39	-2.0	-117.93	352.76	4.23	-113.70
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C)C=C1C(=O)[O-]	REAL300000479317	0	35	-2.0	-123.62	321.73	4.48	-119.14
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000479318	0	41	-2.0	-122.89	349.68	7.03	-115.86
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000479319	0	40	-2.0	-121.14	348.34	6.42	-114.72
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C	REAL300000479320	0	37	-2.0	-117.00	324.58	6.13	-110.87
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C=C1C	REAL300000479321	0	38	-2.0	-123.73	344.86	4.99	-118.74
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000479322	0	33	-3.0	-193.07	322.85	4.97	-188.10
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000479323	0	38	-2.0	-123.29	338.69	6.30	-116.99
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000479324	0	37	-2.0	-122.61	336.62	4.18	-118.43
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000479325	0	35	-2.0	-118.34	323.43	3.51	-114.83
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000479326	0	39	-2.0	-104.63	348.08	5.04	-99.59
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000479327	0	31	-2.0	-106.95	322.12	5.27	-101.68
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000479328	0	31	-2.0	-109.77	312.04	4.99	-104.78
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000479329	0	35	-2.0	-101.37	341.56	5.23	-96.14
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000479330	0	38	-2.0	-103.52	345.60	5.40	-98.12
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000479331	0	41	-2.0	-102.02	374.19	5.66	-96.36
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000479332	0	34	-2.0	-109.02	315.15	5.23	-103.79
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000479333	0	44	-2.0	-103.66	388.05	6.34	-97.32
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000479334	0	35	-2.0	-102.25	331.75	4.76	-97.49
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000479335	0	41	-2.0	-101.79	383.99	6.15	-95.64
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C)C=C1C(=O)[O-]	REAL300000479336	0	38	-2.0	-124.35	343.59	5.38	-118.97
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000479337	0	31	-2.0	-114.82	304.12	4.30	-110.52
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000479338	0	31	-2.0	-106.85	322.66	5.42	-101.43
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000479339	0	31	-2.0	-101.89	307.49	4.96	-96.93
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000479340	0	31	-2.0	-101.29	310.84	5.11	-96.18
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000479341	0	31	-2.0	-103.88	298.98	4.46	-99.42
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000479342	0	28	-2.0	-106.56	286.70	3.54	-103.02
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000479343	0	31	-2.0	-108.29	300.85	4.48	-103.81
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000479344	0	34	-2.0	-116.74	320.20	5.12	-111.62
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000479345	0	35	-2.0	-106.48	334.75	5.03	-101.45
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000479346	0	31	-2.0	-104.05	299.91	4.48	-99.57
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000479347	0	31	-2.0	-102.09	306.95	4.82	-97.27
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000479348	0	34	-2.0	-110.77	323.88	5.61	-105.16
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000479349	0	34	-2.0	-106.89	325.27	5.71	-101.18
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000479350	0	39	-2.0	-101.06	358.18	5.83	-95.23
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000479351	0	31	-2.0	-101.67	310.68	4.92	-96.75
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000479352	0	31	-2.0	-106.14	305.26	4.51	-101.63
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000479353	0	33	-2.0	-102.26	322.63	5.09	-97.17
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000479354	0	32	-2.0	-117.74	304.16	2.14	-115.60
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000479355	0	34	-2.0	-111.49	328.32	5.48	-106.01
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000479356	0	34	-2.0	-109.22	316.62	5.19	-104.03
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000479357	0	31	-2.0	-107.67	315.15	4.95	-102.72
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000479358	0	34	-2.0	-113.27	304.52	5.05	-108.22
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000479359	0	34	-2.0	-111.35	327.91	5.70	-105.65
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000479360	0	34	-2.0	-116.25	319.28	5.07	-111.18
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000479361	0	34	-2.0	-104.70	309.86	5.18	-99.52
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000479362	0	37	-2.0	-122.40	331.26	5.58	-116.82
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000479363	0	33	-2.0	-115.32	321.00	5.50	-109.82
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000479364	0	31	-2.0	-106.58	306.20	4.54	-102.04
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000479365	0	28	-2.0	-104.19	307.02	4.08	-100.11
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000479366	0	37	-2.0	-117.48	328.92	5.80	-111.68
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000479367	0	34	-2.0	-117.70	319.75	5.10	-112.60
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000479368	0	34	-2.0	-115.16	326.21	5.54	-109.62
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000479369	0	34	-2.0	-122.19	319.48	5.11	-117.08
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C)C=C1C(=O)[O-]	REAL300000479370	0	37	-2.0	-119.79	328.76	5.60	-114.19
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000479371	0	31	-2.0	-109.06	315.39	5.14	-103.92
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C=C2C)C=C1CC(=O)[O-]	REAL300000479372	0	38	-2.0	-119.62	344.91	4.55	-115.07
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000479373	0	34	-2.0	-106.48	320.71	5.59	-100.89
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000479374	0	34	-2.0	-101.02	324.55	5.22	-95.80
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000479375	0	34	-2.0	-115.24	325.67	5.38	-109.86
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000479376	0	31	-2.0	-110.25	315.73	5.03	-105.22
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300000479377	0	34	-2.0	-114.66	329.01	5.69	-108.97
CCN1C=C(S(=O)(=O)[N-]C2=NN(C)C=C2C)C=C1C(=O)[O-]	REAL300000479378	0	35	-2.0	-117.30	322.47	4.63	-112.67
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000479379	0	43	-2.0	-117.79	359.59	7.30	-110.49
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000479380	0	31	-2.0	-104.69	316.54	5.18	-99.51
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000479381	0	31	-2.0	-105.08	320.05	4.97	-100.11
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000479382	0	35	-2.0	-103.60	339.14	4.71	-98.89
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000479383	0	34	-2.0	-110.95	324.31	5.38	-105.57
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000479384	0	40	-2.0	-114.36	343.89	6.49	-107.87
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C)C=C2C)C=C1C(=O)[O-]	REAL300000479385	0	35	-2.0	-118.95	334.77	5.03	-113.92
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000479386	0	34	-2.0	-104.85	310.45	4.95	-99.90
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000479387	0	36	-2.0	-109.81	337.71	6.61	-103.20
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000479388	0	34	-2.0	-116.19	313.98	5.25	-110.94
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000479389	0	33	-2.0	-124.23	318.17	6.27	-117.96
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000479390	0	31	-2.0	-121.36	298.10	4.44	-116.92
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000479391	0	34	-2.0	-109.22	315.60	4.99	-104.23
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000479392	0	37	-2.0	-126.29	335.48	6.53	-119.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C=C1C	REAL300000479393	0	35	-2.0	-109.16	322.64	4.22	-104.94
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000479394	0	28	-2.0	-105.07	294.54	3.37	-101.70
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000479395	0	35	-2.0	-112.72	338.23	4.97	-107.75
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000479396	0	34	-2.0	-108.43	337.77	1.45	-106.98
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000479397	0	38	-2.0	-111.69	340.57	6.30	-105.39
CC1=CN(C)N=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000479398	0	38	-2.0	-115.15	339.88	6.30	-108.85
CCC1=C(S(=O)(=O)[N-]C2=NN(C)C=C2C)C=C(C(=O)[O-])O1	REAL300000479399	0	34	-2.0	-111.08	316.57	4.40	-106.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=CC=C1F	REAL300000479400	0	34	-2.0	-111.80	323.84	4.15	-107.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1	REAL300000479401	0	34	-2.0	-101.65	319.29	4.14	-97.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479402	0	34	-2.0	-114.60	319.30	4.11	-110.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CO1	REAL300000479403	0	38	-2.0	-119.13	347.45	3.92	-115.21
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1	REAL300000479404	0	38	-2.0	-100.31	350.75	5.42	-94.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1C(=O)[O-]	REAL300000479405	0	37	-2.0	-117.27	339.37	4.78	-112.49
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479406	0	34	-2.0	-109.05	332.37	4.69	-104.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=CC=C1Cl	REAL300000479407	0	34	-2.0	-110.23	331.81	4.51	-105.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1C	REAL300000479408	0	40	-2.0	-116.12	352.41	5.47	-110.65
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479409	0	34	-2.0	-111.59	324.78	4.18	-107.41
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1	REAL300000479410	0	40	-2.0	-99.63	362.88	5.71	-93.92
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479411	0	31	-2.0	-108.93	312.49	3.13	-105.80
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CO1	REAL300000479412	0	37	-2.0	-114.06	334.73	4.90	-109.16
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1	REAL300000479413	1	38	-2.0	-99.01	350.37	4.41	-94.60
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1C(=O)[O-]	REAL300000479414	0	35	-2.0	-112.84	325.95	3.49	-109.35
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CO1	REAL300000479415	1	38	-2.0	-114.29	343.51	2.95	-111.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479416	0	34	-2.0	-104.93	328.41	3.81	-101.12
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1C(=O)[O-]	REAL300000479417	1	40	-2.0	-115.40	350.75	5.44	-109.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=CS1	REAL300000479418	0	31	-2.0	-110.13	310.95	3.15	-106.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1C(=O)[O-]	REAL300000479419	1	38	-2.0	-120.41	346.58	4.19	-116.22
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479420	0	44	-2.0	-118.30	374.54	6.75	-111.55
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CO1	REAL300000479421	0	43	-2.0	-115.32	371.99	6.28	-109.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CO1	REAL300000479422	0	40	-2.0	-110.98	344.52	6.49	-104.49
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CO1	REAL300000479423	0	41	-2.0	-119.91	369.73	4.69	-115.22
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479424	0	36	-3.0	-193.22	347.71	4.68	-188.54
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479424	1	37	-2.0	-111.71	345.73	4.98	-106.73
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479425	0	41	-2.0	-118.69	363.55	6.02	-112.67
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C(C(=O)[O-])O1	REAL300000479426	0	34	-2.0	-107.54	322.31	3.27	-104.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479427	0	38	-2.0	-115.99	348.22	3.21	-112.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C(Cl)C=C1F	REAL300000479428	0	34	-2.0	-105.62	336.90	4.71	-100.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=CC=C1OCC(=O)[O-]	REAL300000479429	1	41	-2.0	-99.52	370.47	5.10	-94.42
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CO1	REAL300000479430	0	37	-2.0	-104.94	340.01	4.95	-99.99
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1F	REAL300000479431	0	38	-2.0	-98.39	356.60	4.47	-93.92
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1C(=O)[O-]	REAL300000479432	1	41	-2.0	-121.20	368.44	5.10	-116.10
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C(C(=O)[O-])S1	REAL300000479433	0	34	-2.0	-110.65	327.93	4.01	-106.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C(Cl)=C1	REAL300000479434	0	34	-2.0	-98.66	332.36	4.68	-93.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1F	REAL300000479435	0	34	-2.0	-101.08	323.82	4.16	-96.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)S1	REAL300000479436	0	31	-2.0	-103.68	311.57	3.25	-100.43
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479437	0	34	-2.0	-105.53	325.72	4.20	-101.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1F	REAL300000479438	0	37	-2.0	-113.26	345.06	4.82	-108.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C(F)=C1	REAL300000479439	0	34	-2.0	-101.39	324.77	4.19	-97.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1Cl	REAL300000479440	0	34	-2.0	-99.15	331.79	4.52	-94.63
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CO1	REAL300000479441	0	37	-2.0	-106.50	348.75	5.33	-101.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=CC(F)=C1F	REAL300000479442	0	34	-2.0	-103.44	330.12	4.21	-99.23
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479443	0	36	-2.0	-99.56	347.49	4.79	-94.77
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479444	0	35	-2.0	-112.40	329.02	1.84	-110.56
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1	REAL300000479445	0	37	-2.0	-104.88	341.48	4.91	-99.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=CC(Cl)=C1F	REAL300000479446	0	34	-2.0	-104.87	340.01	4.65	-100.22
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CO1	REAL300000479447	0	37	-2.0	-110.72	329.34	4.77	-105.95
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=CC(C(=O)[O-])=C1F	REAL300000479448	0	37	-2.0	-113.35	344.15	4.78	-108.57
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CO1	REAL300000479449	1	37	-2.0	-101.13	334.71	4.89	-96.24
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=CC(C(=O)[O-])=C1C	REAL300000479450	0	40	-2.0	-119.25	356.80	5.32	-113.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=CC=C1[N+](=O)[O-]	REAL300000479451	0	36	-2.0	-112.15	345.86	5.21	-106.94
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479452	0	34	-2.0	-103.47	331.04	4.25	-99.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C(C)=C1C(=O)[O-]	REAL300000479453	1	40	-2.0	-114.88	353.78	5.52	-109.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1C(=O)[O-]	REAL300000479454	0	37	-2.0	-114.00	344.62	4.82	-109.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1Cl	REAL300000479455	0	37	-2.0	-111.01	351.07	5.26	-105.75
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479456	0	37	-2.0	-120.13	344.32	4.81	-115.32
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1C(=O)[O-]	REAL300000479457	0	40	-2.0	-116.64	353.63	5.32	-111.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1CC(=O)[O-]	REAL300000479458	0	41	-2.0	-117.16	369.77	4.25	-112.91
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CO1	REAL300000479459	0	37	-2.0	-103.90	346.09	5.27	-98.63
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=CC(C(=O)[O-])=C1Cl	REAL300000479460	0	37	-2.0	-112.24	350.54	5.09	-107.15
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1C(=O)[O-]	REAL300000479461	0	38	-2.0	-114.11	347.31	4.33	-109.78
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1C(=O)[O-]	REAL300000479462	0	37	-2.0	-109.18	353.07	5.20	-103.98
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=CC=C1C(=O)[O-]	REAL300000479463	0	37	-2.0	-101.92	335.31	4.66	-97.26
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CO1	REAL300000479464	0	37	-2.0	-111.49	338.83	4.96	-106.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1[N+](=O)[O-]	REAL300000479465	0	36	-2.0	-120.93	343.03	5.98	-114.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1F	REAL300000479466	0	34	-2.0	-119.19	322.94	4.15	-115.04
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C1C(=O)[O-]	REAL300000479467	0	37	-2.0	-107.43	344.26	4.81	-102.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=CC2=CC=CC=C21	REAL300000479468	0	40	-2.0	-123.25	360.34	6.26	-116.99
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C1	REAL300000479469	0	33	-2.0	-110.89	316.29	2.17	-108.72
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CO1	REAL300000479470	0	38	-2.0	-105.43	347.51	3.92	-101.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)=C(Cl)O1	REAL300000479471	0	31	-2.0	-101.94	319.41	3.09	-98.85
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NC=CO3)C=C2)CC1	REAL300000479472	0	41	-2.0	-107.75	365.43	6.00	-101.75
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NC=CO3)C=C2C1	REAL300000479473	0	41	-2.0	-110.34	364.75	6.02	-104.32
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CO2)C=C(C(=O)[O-])O1	REAL300000479474	0	37	-2.0	-106.12	337.43	4.65	-101.47
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C(F)C=C1C#N	REAL300000479478	1	37	-2.0	-107.07	345.14	4.70	-102.37
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C(F)C=C1C#N	REAL300000479481	1	33	-2.0	-97.72	330.07	5.48	-92.24
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(F)C=C1C#N	REAL300000479484	1	33	-2.0	-98.88	322.47	4.97	-93.91
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(F)C=C1C#N	REAL300000479486	0	30	-2.0	-95.85	310.18	3.94	-91.91
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C(F)C=C1C#N	REAL300000479491	0	33	-2.0	-92.21	326.11	4.60	-87.61
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(F)C=C1C#N	REAL300000479493	1	30	-2.0	-97.21	308.65	3.95	-93.26
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=C(C#N)C(OC)=C1	REAL300000479497	1	40	-2.0	-106.50	367.43	5.47	-101.03
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C(F)C=C1C#N	REAL300000479498	0	36	-2.0	-106.48	349.76	5.29	-101.19
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(F)C=C1C#N	REAL300000479500	1	33	-2.0	-96.52	320.00	4.05	-92.47
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C(F)C=C1C#N	REAL300000479501	1	37	-2.0	-102.09	345.98	3.99	-98.10
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C(F)C=C1C#N	REAL300000479507	1	33	-2.0	-87.26	330.04	5.48	-81.78
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(F)C=C1C#N	REAL300000479509	0	30	-2.0	-91.14	309.25	4.05	-87.09
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C(F)C=C1C#N	REAL300000479511	1	36	-2.0	-100.18	342.74	5.60	-94.58
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(F)C=C1C#N	REAL300000479512	1	33	-2.0	-88.72	322.46	4.99	-83.73
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C(F)C=C1C#N	REAL300000479517	0	34	-2.0	-100.02	329.41	3.34	-96.68
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C(F)C=C1C#N	REAL300000479523	1	35	-2.0	-100.39	343.55	6.01	-94.38
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C(F)C=C1C#N	REAL300000479524	1	33	-2.0	-90.72	328.73	5.04	-85.68
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C(F)C=C1C#N	REAL300000479526	1	36	-2.0	-99.85	338.48	5.52	-94.33
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C(F)C=C1C#N	REAL300000479527	1	36	-2.0	-99.37	348.78	6.05	-93.32
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C(F)C=C1C#N	REAL300000479528	1	36	-2.0	-105.02	342.03	5.60	-99.42
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C(F)C=C1C#N	REAL300000479537	0	35	-2.0	-107.37	340.73	6.77	-100.60
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(F)C=C1C#N	REAL300000479538	1	33	-2.0	-104.29	320.63	4.93	-99.36
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(F)C=C1C#N	REAL300000479540	0	32	-2.0	-99.36	313.97	2.98	-96.38
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C(F)C=C1C#N	REAL300000479541	1	37	-2.0	-93.58	345.20	4.72	-88.86
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C(F)C=C1C#N	REAL300000479542	0	30	-2.0	-90.21	317.10	3.89	-86.32
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=C(C#N)C=C2F)C=C(C(=O)[O-])O1	REAL300000479545	1	36	-2.0	-96.63	339.12	4.90	-91.73
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2O1	REAL300000479546	0	42	-2.0	-114.26	360.45	6.94	-107.32
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2O1	REAL300000479547	0	42	-2.0	-103.93	355.88	6.92	-97.01
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2O1	REAL300000479548	0	42	-2.0	-117.52	355.91	6.91	-110.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000479549	0	46	-2.0	-122.77	384.06	6.71	-116.06
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2O1	REAL300000479550	0	46	-2.0	-102.77	387.34	8.20	-94.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000479551	0	45	-2.0	-120.28	375.99	7.56	-112.72
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C2O1	REAL300000479552	0	42	-2.0	-112.20	368.98	7.48	-104.72
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2O1	REAL300000479553	0	42	-2.0	-112.92	368.42	7.30	-105.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=C1C	REAL300000479554	0	48	-2.0	-119.45	389.03	8.24	-111.21
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2O1	REAL300000479555	0	42	-2.0	-114.62	361.39	6.98	-107.64
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2O1	REAL300000479556	0	48	-2.0	-102.36	399.46	8.49	-93.87
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2O1	REAL300000479557	0	39	-2.0	-111.35	349.10	5.93	-105.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000479558	0	45	-2.0	-117.44	371.36	7.69	-109.75
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2O1	REAL300000479559	0	46	-2.0	-101.50	386.96	7.18	-94.32
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000479560	0	43	-2.0	-115.72	362.57	6.27	-109.45
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000479561	0	46	-2.0	-117.49	380.12	5.72	-111.77
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=C1	REAL300000479562	0	42	-2.0	-107.30	365.03	6.60	-100.70
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000479563	0	48	-2.0	-118.89	387.38	8.23	-110.66
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2O1	REAL300000479564	0	39	-2.0	-112.70	347.56	5.94	-106.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000479565	0	46	-2.0	-123.23	383.21	6.98	-116.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000479566	0	48	-2.0	-114.72	386.05	8.64	-106.08
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C(C(=O)[O-])O1	REAL300000479567	0	42	-2.0	-110.13	358.92	6.05	-104.08
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=C1	REAL300000479568	0	46	-2.0	-118.00	384.89	6.00	-112.00
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000479569	0	45	-2.0	-107.68	376.63	7.73	-99.95
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C(C(=O)[O-])S1	REAL300000479570	0	42	-2.0	-113.53	365.62	6.80	-106.73
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2O1	REAL300000479571	0	42	-2.0	-101.08	368.97	7.47	-93.61
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2O1	REAL300000479572	0	42	-2.0	-103.12	360.43	6.95	-96.17
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2O1	REAL300000479573	0	39	-2.0	-105.94	348.19	6.04	-99.90
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2O1	REAL300000479574	0	42	-2.0	-107.86	362.30	6.98	-100.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=C1F	REAL300000479575	0	45	-2.0	-116.28	381.67	7.61	-108.67
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2O1	REAL300000479576	0	42	-2.0	-103.72	361.38	6.98	-96.74
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2O1	REAL300000479577	0	42	-2.0	-101.35	368.40	7.31	-94.04
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C2O1	REAL300000479578	0	42	-2.0	-105.57	366.70	7.00	-98.57
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2O1	REAL300000479579	0	43	-2.0	-115.95	365.63	4.62	-111.33
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2O1	REAL300000479580	0	45	-2.0	-109.02	378.06	7.68	-101.34
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000479581	0	45	-2.0	-113.48	365.95	7.55	-105.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=CC(C(=O)[O-])=C1F	REAL300000479582	0	45	-2.0	-115.85	380.72	7.56	-108.29
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000479583	0	45	-2.0	-103.62	371.34	7.69	-95.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=CC(C(=O)[O-])=C1C	REAL300000479584	0	48	-2.0	-121.01	389.35	7.99	-113.02
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2O1	REAL300000479585	0	42	-2.0	-106.05	367.66	7.04	-99.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C(C)=C1C(=O)[O-]	REAL300000479586	0	48	-2.0	-118.08	389.45	8.31	-109.77
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000479587	0	45	-2.0	-116.05	377.39	7.51	-108.54
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=C1	REAL300000479588	0	45	-2.0	-123.15	380.94	7.60	-115.55
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000479589	0	48	-2.0	-119.56	390.24	8.10	-111.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000479590	0	46	-2.0	-117.07	383.94	7.12	-109.95
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=CC=C1C(=O)[O-]	REAL300000479591	0	45	-2.0	-104.22	371.92	7.46	-96.76
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000479592	0	45	-2.0	-114.18	375.86	7.73	-106.45
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2O1	REAL300000479593	0	42	-2.0	-122.21	359.56	6.94	-115.27
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000479594	0	45	-2.0	-109.00	377.05	7.48	-101.52
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2O1	REAL300000479595	0	41	-2.0	-115.45	352.13	5.02	-110.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000479596	0	46	-2.0	-108.42	384.13	6.71	-101.71
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2O1	REAL300000479597	0	39	-2.0	-104.17	356.02	5.90	-98.27
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C(C(=O)[O-])O1	REAL300000479598	0	45	-2.0	-109.52	378.04	6.90	-102.62
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1	REAL300000479599	0	40	-2.0	-93.91	369.68	-1.90	-95.81
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC=C1F	REAL300000479600	0	33	-2.0	-110.60	317.76	-0.45	-111.05
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC(=O)N1	REAL300000479601	0	41	-2.0	-108.97	372.85	0.62	-108.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1	REAL300000479602	0	33	-2.0	-100.59	313.20	-0.48	-101.07
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC=C1	REAL300000479603	0	33	-2.0	-111.88	313.24	-0.49	-112.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC(=O)N1	REAL300000479604	0	37	-2.0	-115.08	341.37	-0.67	-115.75
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1	REAL300000479605	0	37	-2.0	-99.69	344.67	0.81	-98.88
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000479606	0	36	-2.0	-114.74	333.31	0.16	-114.58
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479607	0	33	-2.0	-106.66	326.28	0.07	-106.59
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC=C1Cl	REAL300000479608	0	33	-2.0	-108.68	325.73	-0.09	-108.77
O=C([O-])C1=C(Cl)C=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479609	0	33	-2.0	-102.38	338.79	0.45	-101.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1C	REAL300000479610	0	39	-2.0	-113.25	345.60	0.81	-112.44
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479611	0	33	-2.0	-107.90	318.68	-0.42	-108.32
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1	REAL300000479612	0	39	-2.0	-98.40	356.79	1.11	-97.29
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479613	0	30	-2.0	-106.89	306.41	-1.46	-108.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC(=O)N1	REAL300000479614	0	36	-2.0	-110.89	328.66	0.28	-110.61
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1	REAL300000479615	0	37	-2.0	-98.51	344.29	-0.20	-98.71
CN1C=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000479616	0	34	-2.0	-111.49	319.88	-1.13	-112.62
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC(=O)N1	REAL300000479617	0	37	-2.0	-110.58	337.45	-1.68	-112.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479618	0	33	-2.0	-103.74	322.35	-0.80	-104.54
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000479619	0	39	-2.0	-112.36	344.66	0.83	-111.53
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CS1	REAL300000479620	0	30	-2.0	-107.64	304.90	-1.44	-109.08
COC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC(C(=O)[O-])=C1OC	REAL300000479621	0	41	-2.0	-113.13	371.51	-0.68	-113.81
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000479622	0	37	-2.0	-118.31	340.52	-0.42	-118.73
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479623	0	43	-2.0	-114.44	368.46	2.05	-112.39
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC(=O)N1	REAL300000479624	0	42	-2.0	-112.57	367.13	1.48	-111.09
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC(=O)N1	REAL300000479625	0	39	-2.0	-109.24	343.36	1.04	-108.20
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC(=O)N1	REAL300000479626	0	40	-2.0	-117.09	363.65	0.09	-117.00
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479627	0	35	-3.0	-187.23	341.61	0.08	-187.15
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479628	0	40	-2.0	-114.80	357.48	1.40	-113.40
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C(C(=O)[O-])O1	REAL300000479629	0	33	-2.0	-105.91	316.26	-1.36	-107.27
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC2=C1OCCO2	REAL300000479630	0	39	-2.0	-117.53	355.37	-0.71	-118.24
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479631	0	37	-2.0	-113.67	342.17	-1.38	-115.05
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCC(=O)N3)C=C2C1	REAL300000479632	0	41	-2.0	-100.03	366.86	0.14	-99.89
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC(Cl)=C1Cl	REAL300000479633	0	33	-2.0	-102.78	340.91	0.37	-102.41
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479634	0	33	-2.0	-104.04	330.80	0.09	-103.95
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1Cl	REAL300000479635	0	37	-2.0	-97.83	360.32	0.34	-97.49
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC=C1OCC(=O)[O-]	REAL300000479636	0	40	-2.0	-99.55	364.38	0.51	-99.04
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC(=O)N1	REAL300000479637	0	36	-2.0	-102.70	333.93	0.32	-102.38
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC=C1OCCCC(=O)[O-]	REAL300000479638	0	46	-2.0	-99.18	406.83	1.44	-97.74
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1F	REAL300000479639	0	37	-2.0	-98.99	350.52	-0.14	-99.13
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000479640	0	40	-2.0	-118.53	362.36	0.49	-118.04
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C(C(=O)[O-])S1	REAL300000479641	0	33	-2.0	-108.55	321.80	-0.58	-109.13
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479642	0	33	-2.0	-101.16	341.43	0.52	-100.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C(Cl)=C1	REAL300000479643	0	33	-2.0	-98.78	326.26	0.06	-98.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1F	REAL300000479644	0	33	-2.0	-101.13	317.76	-0.44	-101.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)S1	REAL300000479645	0	30	-2.0	-102.59	305.49	-1.36	-103.95
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC(F)=C1	REAL300000479646	0	33	-2.0	-103.91	319.61	-0.42	-104.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1F	REAL300000479647	0	36	-2.0	-109.00	339.00	0.22	-108.78
COC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C(Cl)C=C1C(=O)[O-]	REAL300000479648	0	37	-2.0	-103.68	353.51	0.13	-103.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C(F)=C1	REAL300000479649	0	33	-2.0	-100.45	318.67	-0.41	-100.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1Cl	REAL300000479650	0	33	-2.0	-98.96	325.73	-0.08	-99.04
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC(=O)N1	REAL300000479651	0	36	-2.0	-104.12	342.67	0.70	-103.42
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1	REAL300000479652	0	41	-2.0	-97.09	376.97	0.93	-96.16
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC(F)=C1F	REAL300000479653	0	33	-2.0	-102.77	324.05	-0.39	-103.16
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479654	0	35	-2.0	-98.45	341.39	0.18	-98.27
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479655	0	34	-2.0	-109.34	322.92	-2.76	-112.10
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479655	1	33	-3.0	-204.51	319.36	-1.88	-206.39
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1	REAL300000479656	0	36	-2.0	-102.09	335.39	0.30	-101.79
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC(Cl)=C1F	REAL300000479657	0	33	-2.0	-104.01	333.94	0.04	-103.97
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1CCC(=O)N1	REAL300000479658	0	36	-2.0	-109.82	323.28	0.14	-109.68
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC(C(=O)[O-])=C1F	REAL300000479659	0	36	-2.0	-112.02	338.06	0.17	-111.85
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCC(=O)N1	REAL300000479660	0	36	-2.0	-101.16	328.62	0.27	-100.89
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC(C(=O)[O-])=C1C	REAL300000479661	0	39	-2.0	-115.34	346.08	0.58	-114.76
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC=C1[N+](=O)[O-]	REAL300000479662	0	35	-2.0	-112.37	339.80	0.60	-111.77
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479663	0	33	-2.0	-100.61	324.96	-0.36	-100.97
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C(C)=C1C(=O)[O-]	REAL300000479664	0	39	-2.0	-114.72	347.23	0.88	-113.84
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000479665	0	36	-2.0	-107.90	334.72	0.11	-107.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1Cl	REAL300000479666	0	36	-2.0	-107.99	344.97	0.64	-107.35
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479667	0	36	-2.0	-118.35	338.24	0.21	-118.14
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000479668	0	39	-2.0	-113.97	347.46	0.70	-113.27
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1CC(=O)[O-]	REAL300000479669	0	40	-2.0	-116.38	363.69	-0.35	-116.73
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1CCC(=O)N1	REAL300000479670	0	36	-2.0	-103.63	339.49	0.62	-103.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1C(F)(F)F	REAL300000479671	0	36	-2.0	-98.07	343.34	0.33	-97.74
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC(C(=O)[O-])=C1Cl	REAL300000479672	0	36	-2.0	-110.40	344.45	0.48	-109.92
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000479673	0	37	-2.0	-112.29	341.24	-0.27	-112.56
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C(C)=C1CC(=O)[O-]	REAL300000479674	0	45	-2.0	-115.61	377.63	2.35	-113.26
O=C([O-])C1=C(F)C(Cl)=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479675	0	33	-2.0	-99.79	338.79	0.07	-99.72
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000479676	0	36	-2.0	-107.47	347.01	0.58	-106.89
CC(C)(C)C1=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C(C(=O)[O-])S1	REAL300000479677	0	42	-2.0	-108.26	362.95	1.42	-106.84
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000479678	0	37	-2.0	-112.24	353.53	0.13	-112.11
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC=C1C(=O)[O-]	REAL300000479679	0	36	-2.0	-101.26	329.23	0.06	-101.20
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C([N+](=O)[O-])=C1	REAL300000479680	0	38	-2.0	-103.42	353.93	1.57	-101.85
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCC(=O)N1	REAL300000479681	0	36	-2.0	-108.32	333.20	0.31	-108.01
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC=C1	REAL300000479682	0	35	-2.0	-120.35	336.93	1.37	-118.98
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC=C1	REAL300000479683	0	33	-2.0	-117.40	316.86	-0.46	-117.86
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000479684	0	36	-2.0	-105.80	338.19	0.19	-105.61
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=CC2=CC=CC=C21	REAL300000479685	0	39	-2.0	-120.53	354.27	1.64	-118.89
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C1	REAL300000479686	0	32	-2.0	-109.88	309.44	-2.35	-112.23
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCC(=O)N1	REAL300000479687	0	37	-2.0	-104.65	341.43	-0.68	-105.33
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)=C(Cl)O1	REAL300000479688	0	30	-2.0	-99.99	313.39	-1.51	-101.50
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCC(=O)N3)C=C2)CC1	REAL300000479689	0	40	-2.0	-105.74	359.35	1.40	-104.34
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCC(=O)N3)C=C2C1	REAL300000479690	0	40	-2.0	-107.31	358.67	1.41	-105.90
CCC1=C(S(=O)(=O)[N-]NC(=O)C2CCC(=O)N2)C=C(C(=O)[O-])O1	REAL300000479691	0	36	-2.0	-104.80	335.37	-0.56	-105.36
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1	REAL300000479692	0	36	-2.0	-93.38	344.88	-1.08	-94.46
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC=C1F	REAL300000479693	0	29	-2.0	-109.45	292.95	0.36	-109.09
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CNN=C1	REAL300000479694	0	37	-2.0	-109.24	348.03	1.43	-107.81
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1	REAL300000479695	0	29	-2.0	-105.75	304.84	1.02	-104.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1	REAL300000479696	0	29	-2.0	-99.85	288.40	0.34	-99.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1	REAL300000479697	0	29	-2.0	-111.61	288.42	0.33	-111.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CNN=C1	REAL300000479698	0	33	-2.0	-115.72	316.56	0.14	-115.58
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC=C1Br	REAL300000479699	0	29	-2.0	-107.24	304.66	0.82	-106.42
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1	REAL300000479700	0	33	-2.0	-99.27	319.87	1.63	-97.64
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479701	0	32	-2.0	-112.76	304.46	0.87	-111.89
CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479701	1	32	-2.0	-106.93	305.38	-0.13	-107.06
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1	REAL300000479702	0	29	-2.0	-106.30	301.49	0.89	-105.41
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC=C1Cl	REAL300000479703	0	29	-2.0	-107.63	300.92	0.72	-106.91
O=C([O-])C1=C(Cl)C=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1	REAL300000479704	0	29	-2.0	-102.11	313.98	1.26	-100.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1C	REAL300000479705	0	35	-2.0	-112.89	320.81	1.63	-111.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[N-]C(=O)C2=CNN=C2)=C1C	REAL300000479705	1	35	-2.0	-101.37	308.73	1.30	-100.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1	REAL300000479706	0	29	-2.0	-107.70	293.89	0.39	-107.31
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1	REAL300000479707	0	35	-2.0	-98.16	331.98	1.92	-96.24
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1	REAL300000479708	0	26	-2.0	-106.16	281.60	-0.64	-106.80
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CNN=C1	REAL300000479709	0	32	-2.0	-111.01	303.85	1.10	-109.91
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1	REAL300000479710	0	33	-2.0	-98.02	319.49	0.62	-97.40
O=C([O-])COC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CNN=C2)C=C1	REAL300000479710	1	33	-2.0	-92.48	320.42	-0.38	-92.86
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3=CNN=C3)C=C2)C1	REAL300000479711	0	40	-2.0	-94.77	365.26	1.39	-93.38
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C(Br)S1	REAL300000479712	0	26	-2.0	-102.31	298.60	0.12	-102.19
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479713	0	30	-2.0	-110.45	295.06	-0.31	-110.76
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CNN=C1	REAL300000479714	0	33	-2.0	-111.75	312.62	-0.86	-112.61
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CNN=C1	REAL300000479714	1	33	-2.0	-105.26	313.64	-1.86	-107.12
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1	REAL300000479715	0	29	-2.0	-102.41	297.53	0.02	-102.39
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479716	0	35	-2.0	-112.14	319.88	1.64	-110.50
CC1=CC(C)=C(S(=O)(=O)N[N-]C(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479716	1	35	-2.0	-100.38	307.86	1.31	-99.07
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COC1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC(C(=O)[O-])=C1OC	REAL300000479718	0	37	-2.0	-112.05	346.72	0.14	-111.91
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479719	0	33	-2.0	-117.55	315.71	0.40	-117.15
COC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479719	1	33	-2.0	-112.37	316.63	-0.60	-112.97
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CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CNN=C1	REAL300000479721	0	38	-2.0	-113.02	342.32	2.30	-110.72
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CNN=C1	REAL300000479722	0	35	-2.0	-108.94	318.56	1.85	-107.09
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CNN=C1	REAL300000479723	0	36	-2.0	-117.32	338.85	0.90	-116.42
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CC1=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C(C(=O)[O-])O1	REAL300000479726	0	29	-2.0	-105.02	291.43	-0.52	-105.54
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CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1	REAL300000479728	0	33	-2.0	-114.30	317.32	-0.57	-114.87
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CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC=C1OCC(=O)[O-]	REAL300000479733	0	36	-2.0	-98.50	339.57	1.32	-97.18
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CNN=C2)=CC=C1OCC(=O)[O-]	REAL300000479733	1	36	-2.0	-92.92	340.50	0.33	-92.59
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1F	REAL300000479734	0	39	-2.0	-97.18	368.16	1.58	-95.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CNN=C1	REAL300000479735	0	32	-2.0	-102.28	309.12	1.13	-101.15
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC=C1OCCCC(=O)[O-]	REAL300000479736	0	42	-2.0	-98.25	382.01	2.25	-96.00
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CNN=C2)=CC=C1OCCCC(=O)[O-]	REAL300000479736	1	42	-2.0	-92.54	382.94	1.26	-91.28
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1F	REAL300000479737	0	33	-2.0	-97.75	325.71	0.68	-97.07
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479738	0	36	-2.0	-118.27	337.55	1.31	-116.96
CCOC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479738	1	36	-2.0	-108.70	338.49	0.31	-108.39
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C(C(=O)[O-])S1	REAL300000479739	0	29	-2.0	-107.91	297.02	0.23	-107.68
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O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)S1	REAL300000479744	0	26	-2.0	-101.29	280.69	-0.54	-101.83
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CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1F	REAL300000479746	0	32	-2.0	-109.19	314.18	1.04	-108.15
COC1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000479747	0	33	-2.0	-102.26	328.73	0.95	-101.31
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O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1Cl	REAL300000479749	0	29	-2.0	-97.46	300.91	0.73	-96.73
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CNN=C1	REAL300000479750	0	32	-2.0	-103.85	317.86	1.52	-102.33
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1	REAL300000479751	0	37	-2.0	-95.96	352.16	1.74	-94.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1Br	REAL300000479752	0	29	-2.0	-97.05	304.65	0.83	-96.22
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O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC(Cl)=C1F	REAL300000479757	0	29	-2.0	-102.69	309.12	0.86	-101.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CNN=C1	REAL300000479758	0	32	-2.0	-109.05	298.49	0.95	-108.10
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[N-]C(=O)C1=CNN=C1	REAL300000479758	1	32	-2.0	-103.97	286.53	0.63	-103.34
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC(C(=O)[O-])=C1F	REAL300000479759	0	32	-2.0	-110.82	313.25	0.98	-109.84
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CNN=C1	REAL300000479760	0	32	-2.0	-99.76	303.83	1.09	-98.67
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[N-]C(=O)C1=CNN=C1	REAL300000479760	1	32	-2.0	-93.62	291.74	0.76	-92.86
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC(C(=O)[O-])=C1C	REAL300000479761	0	35	-2.0	-116.11	325.22	1.50	-114.61
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CNN=C2)=CC(C(=O)[O-])=C1C	REAL300000479761	1	35	-2.0	-110.03	326.16	0.51	-109.52
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O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1	REAL300000479763	0	29	-2.0	-99.97	300.17	0.46	-99.51
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)S1	REAL300000479764	0	26	-2.0	-98.94	301.00	0.00	-98.94
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C(C)=C1C(=O)[O-]	REAL300000479765	0	35	-2.0	-113.49	321.81	1.66	-111.83
CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CNN=C2)C(C)=C1C(=O)[O-]	REAL300000479765	1	35	-2.0	-108.73	310.48	1.37	-107.36
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479766	0	32	-2.0	-108.80	309.89	0.93	-107.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1Cl	REAL300000479767	0	32	-2.0	-108.06	320.18	1.45	-106.61
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1	REAL300000479768	0	32	-2.0	-117.55	313.43	1.02	-116.53
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479769	0	35	-2.0	-113.46	322.35	1.52	-111.94
CCC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479769	1	35	-2.0	-107.35	323.60	0.52	-106.83
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1CC(=O)[O-]	REAL300000479770	0	36	-2.0	-112.36	338.88	0.46	-111.90
COC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CNN=C2)C=C1CC(=O)[O-]	REAL300000479770	1	36	-2.0	-105.04	339.82	-0.53	-105.57
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1=CNN=C1	REAL300000479771	0	32	-2.0	-102.19	314.68	1.43	-100.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1C(F)(F)F	REAL300000479772	0	32	-2.0	-96.57	318.53	1.15	-95.42
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC(C(=O)[O-])=C1Cl	REAL300000479773	0	32	-2.0	-109.43	319.64	1.29	-108.14
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1	REAL300000479774	0	29	-2.0	-104.59	309.71	0.94	-103.65
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479775	0	33	-2.0	-111.78	316.43	0.54	-111.24
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C(C)=C1CC(=O)[O-]	REAL300000479776	0	41	-2.0	-113.50	353.57	3.21	-110.29
CC1=CC(C)=C(S(=O)(=O)N[N-]C(=O)C2=CNN=C2)C(C)=C1CC(=O)[O-]	REAL300000479776	1	41	-2.0	-108.34	352.68	2.37	-105.97
O=C([O-])C1=C(F)C(Cl)=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1	REAL300000479777	0	29	-2.0	-98.91	314.00	0.89	-98.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C(OC(F)(F)F)=C1	REAL300000479778	0	33	-2.0	-98.99	333.12	0.63	-98.36
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479779	0	32	-2.0	-106.45	322.16	1.40	-105.05
CC(C)(C)C1=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C(C(=O)[O-])S1	REAL300000479780	0	38	-2.0	-107.92	338.14	2.25	-105.67
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479781	0	33	-2.0	-111.90	328.74	0.95	-110.95
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC=C1C(=O)[O-]	REAL300000479782	0	32	-2.0	-99.98	304.42	0.88	-99.10
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CNN=C2)=CC=C1C(=O)[O-]	REAL300000479782	1	32	-2.0	-94.37	305.36	-0.12	-94.49
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C([N+](=O)[O-])=C1	REAL300000479783	0	34	-2.0	-103.21	331.69	2.39	-100.82
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CNN=C1	REAL300000479784	0	32	-2.0	-108.70	308.37	1.14	-107.56
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC=C1	REAL300000479785	0	31	-2.0	-119.81	312.17	2.19	-117.62
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC=C1	REAL300000479786	0	29	-2.0	-116.84	292.03	0.36	-116.48
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000479787	0	32	-2.0	-104.66	313.36	1.01	-103.65
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC2=CC=CC=C21	REAL300000479788	0	35	-2.0	-119.78	329.46	2.46	-117.32
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1	REAL300000479789	0	28	-2.0	-109.18	284.64	-1.54	-110.72
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CNN=C1	REAL300000479790	0	33	-2.0	-103.77	316.63	0.14	-103.63
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C(Cl)O1	REAL300000479791	0	26	-2.0	-99.52	288.56	-0.69	-100.21
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=CC=C1OC(F)(F)F	REAL300000479792	0	33	-2.0	-107.11	332.21	0.88	-106.23
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)=C1	REAL300000479793	0	32	-2.0	-103.46	331.76	-2.63	-106.09
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3=CNN=C3)C=C2)CC1	REAL300000479794	0	36	-2.0	-105.61	334.54	2.22	-103.39
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)C3=CNN=C3)C=C2C1	REAL300000479795	0	36	-2.0	-110.83	333.86	2.22	-108.61
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CNN=C2)C=C(C(=O)[O-])O1	REAL300000479796	0	32	-2.0	-104.71	310.54	0.26	-104.45
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000479797	0	39	-2.0	-94.10	376.54	2.16	-91.94
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000479798	0	32	-2.0	-110.52	324.64	3.60	-106.92
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC(C)=CS1	REAL300000479799	0	40	-2.0	-110.12	379.71	4.67	-105.45
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000479800	0	32	-2.0	-100.77	320.07	3.58	-97.19
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000479801	0	32	-2.0	-112.83	320.09	3.57	-109.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC(C)=CS1	REAL300000479802	0	36	-2.0	-116.60	348.23	3.38	-113.22
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000479803	0	36	-2.0	-100.10	351.54	4.87	-95.23
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000479804	0	35	-2.0	-114.03	336.13	4.11	-109.92
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000479805	0	32	-2.0	-107.18	333.16	4.13	-103.05
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000479806	0	32	-2.0	-108.82	332.61	3.96	-104.86
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000479807	0	38	-2.0	-113.70	352.48	4.86	-108.84
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000479808	0	32	-2.0	-108.71	325.56	3.63	-105.08
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000479809	0	38	-2.0	-98.99	363.65	5.16	-93.83
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000479810	0	29	-2.0	-107.02	313.27	2.59	-104.43
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000479811	0	35	-2.0	-111.84	335.52	4.35	-107.49
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000479812	0	36	-2.0	-98.89	351.15	3.86	-95.03
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000479813	0	33	-2.0	-111.61	326.73	2.93	-108.68
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000479814	0	36	-2.0	-112.50	344.29	2.37	-110.13
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000479815	0	32	-2.0	-103.38	329.21	3.26	-100.12
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000479816	0	38	-2.0	-113.28	351.16	4.84	-108.44
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000479817	0	29	-2.0	-108.63	311.74	2.61	-106.02
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC(C)=CS2)C=C1C(=O)[O-]	REAL300000479818	0	36	-2.0	-118.83	347.38	3.64	-115.19
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000479819	0	42	-2.0	-115.60	375.32	6.10	-109.50
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000479820	0	41	-2.0	-113.84	373.98	5.54	-108.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC(C)=CS1	REAL300000479821	0	38	-2.0	-109.58	350.22	5.08	-104.50
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC(C)=CS1	REAL300000479822	0	39	-2.0	-118.86	370.52	4.14	-114.72
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000479823	0	34	-3.0	-189.00	348.51	4.14	-184.86
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000479824	0	39	-2.0	-115.97	364.34	5.45	-110.52
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000479825	0	32	-2.0	-105.70	323.10	2.72	-102.98
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000479826	0	38	-2.0	-117.89	362.26	3.34	-114.55
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000479827	0	36	-2.0	-116.22	348.99	2.67	-113.55
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000479828	0	40	-2.0	-100.05	373.71	4.19	-95.86
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000479829	0	32	-2.0	-104.05	337.68	4.15	-99.90
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000479830	0	39	-2.0	-99.32	371.24	4.56	-94.76
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000479831	0	35	-2.0	-102.98	340.81	4.38	-98.60
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000479832	0	36	-2.0	-98.41	357.40	3.92	-94.49
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC(C)=CS2)C=C1C(=O)[O-]	REAL300000479833	0	39	-2.0	-119.60	369.23	4.55	-115.05
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000479834	0	32	-2.0	-108.58	328.69	3.48	-105.10
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000479835	0	32	-2.0	-98.42	333.14	4.12	-94.30
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000479836	0	32	-2.0	-100.37	324.62	3.60	-96.77
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000479837	0	29	-2.0	-102.11	312.36	2.69	-99.42
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000479838	0	32	-2.0	-103.90	326.49	3.64	-100.26
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000479839	0	35	-2.0	-110.10	345.83	4.27	-105.83
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000479840	0	32	-2.0	-100.30	325.55	3.64	-96.66
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000479841	0	32	-2.0	-98.39	332.59	3.97	-94.42
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000479842	0	35	-2.0	-104.53	349.53	4.76	-99.77
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000479843	0	40	-2.0	-96.70	383.83	4.98	-91.72
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000479844	0	32	-2.0	-102.21	330.92	3.66	-98.55
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000479845	0	34	-2.0	-98.09	348.28	4.24	-93.85
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000479846	0	33	-2.0	-109.85	329.80	1.28	-108.57
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000479846	1	32	-3.0	-209.96	326.24	2.16	-207.80
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000479847	0	35	-2.0	-102.96	342.25	4.35	-98.61
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000479848	0	32	-2.0	-103.61	340.81	4.10	-99.51
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000479849	0	35	-2.0	-110.58	329.63	4.17	-106.41
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000479850	0	35	-2.0	-111.86	344.94	4.22	-107.64
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000479851	0	35	-2.0	-100.65	335.50	4.33	-96.32
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000479852	0	38	-2.0	-117.49	356.88	4.74	-112.75
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000479853	0	34	-2.0	-111.60	346.66	4.66	-106.94
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000479854	0	32	-2.0	-100.89	331.85	3.69	-97.20
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000479855	0	38	-2.0	-115.00	354.56	4.95	-110.05
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000479856	0	35	-2.0	-109.77	341.56	4.17	-105.60
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000479857	0	35	-2.0	-108.97	351.87	4.69	-104.28
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000479858	0	35	-2.0	-119.38	345.12	4.26	-115.12
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC(C)=CS2)C=C1C(=O)[O-]	REAL300000479859	0	38	-2.0	-114.62	354.37	4.76	-109.86
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC(C)=CS2)C=C1CC(=O)[O-]	REAL300000479860	0	39	-2.0	-117.27	370.56	3.70	-113.57
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000479861	0	35	-2.0	-104.66	350.62	4.81	-99.85
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000479862	0	35	-2.0	-110.58	351.33	4.53	-106.05
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC(C)=CS2)C=C1C(=O)[O-]	REAL300000479863	0	36	-2.0	-112.92	348.12	3.79	-109.13
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000479864	0	44	-2.0	-115.99	384.37	6.34	-109.65
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000479865	0	35	-2.0	-107.63	353.83	4.64	-102.99
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000479866	0	35	-2.0	-100.85	336.10	4.12	-96.73
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000479867	0	37	-2.0	-104.11	363.37	5.63	-98.48
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000479868	0	35	-2.0	-109.33	340.04	4.38	-104.95
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000479869	0	34	-2.0	-121.77	343.81	5.43	-116.34
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000479870	0	32	-2.0	-118.65	323.70	3.60	-115.05
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000479871	0	35	-2.0	-105.83	345.02	4.25	-101.58
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000479872	0	38	-2.0	-121.21	361.13	5.69	-115.52
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000479873	0	31	-2.0	-110.45	316.31	1.70	-108.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC(C)=CS1	REAL300000479874	0	36	-2.0	-104.78	348.29	3.38	-101.40
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000479875	0	29	-2.0	-100.10	320.22	2.54	-97.56
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000479876	0	39	-2.0	-106.43	366.21	5.45	-100.98
CC1=CSC(C(=O)N[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000479877	0	39	-2.0	-112.66	365.54	5.46	-107.20
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC(C)=CS2)C=C(C(=O)[O-])O1	REAL300000479878	0	35	-2.0	-105.19	342.25	3.50	-101.69
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1	REAL300000479879	0	38	-2.0	-97.41	366.40	0.72	-96.69
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C1	REAL300000479879	1	37	-3.0	-197.15	364.09	-0.13	-197.28
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)C=C1	REAL300000479879	1	38	-2.0	-93.55	366.60	-0.38	-93.93
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CC=C1F	REAL300000479880	0	31	-2.0	-114.15	314.50	2.16	-111.99
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=CC=C1F	REAL300000479880	1	30	-3.0	-220.15	312.17	1.31	-218.84
O=C([O-])C1=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)=CC=C1F	REAL300000479880	1	31	-2.0	-104.79	314.69	1.06	-103.73
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(F)=N1	REAL300000479881	0	39	-2.0	-114.33	369.56	3.23	-111.10
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(F)=N1	REAL300000479881	1	38	-3.0	-219.51	367.26	2.39	-217.12
O=C([O-])C1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)C=C1	REAL300000479882	0	31	-2.0	-100.44	310.12	1.04	-99.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1	REAL300000479882	1	31	-2.0	-104.16	309.92	2.14	-102.02
O=C([O-])C1=CC=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479883	0	31	-2.0	-106.33	310.15	1.03	-105.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479883	1	31	-2.0	-116.74	309.96	2.13	-114.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(F)=N1	REAL300000479884	0	35	-2.0	-121.27	338.09	1.94	-119.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(F)=N1	REAL300000479884	1	34	-3.0	-231.24	335.78	1.09	-230.15
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C1	REAL300000479885	0	34	-3.0	-204.49	339.08	2.58	-201.91
CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479886	0	34	-2.0	-107.07	326.18	1.57	-105.50
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479886	1	34	-2.0	-117.92	325.99	2.67	-115.25
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479887	0	31	-2.0	-111.55	323.02	2.69	-108.86
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479887	1	30	-3.0	-217.58	320.70	1.83	-215.75
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CC=C1Cl	REAL300000479888	0	31	-2.0	-112.49	322.47	2.52	-109.97
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=CC=C1Cl	REAL300000479888	1	30	-3.0	-219.90	320.14	1.68	-218.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)=C1C	REAL300000479889	0	37	-2.0	-114.56	343.10	2.34	-112.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1C	REAL300000479889	1	37	-2.0	-118.34	342.62	3.39	-114.95
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479890	0	31	-2.0	-113.19	315.42	2.19	-111.00
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479890	1	30	-3.0	-222.10	313.11	1.35	-220.75
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C1	REAL300000479891	0	36	-3.0	-204.59	351.20	2.87	-201.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479892	0	28	-2.0	-110.69	303.14	1.16	-109.53
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479892	1	27	-3.0	-216.38	300.82	0.31	-216.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CC=CC(F)=N1	REAL300000479893	0	34	-2.0	-102.16	315.13	2.83	-99.33
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(F)=N1	REAL300000479893	1	34	-2.0	-116.30	325.38	2.90	-113.40
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C1	REAL300000479894	0	34	-3.0	-203.36	338.70	1.57	-201.79
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479895	0	32	-2.0	-115.34	316.60	1.49	-113.85
CN1C=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479895	1	32	-2.0	-105.97	316.79	0.38	-105.59
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(F)=N1	REAL300000479896	0	34	-3.0	-222.84	331.84	0.08	-222.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479897	0	31	-2.0	-106.99	319.06	1.82	-105.17
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479897	1	30	-3.0	-211.34	316.75	0.97	-210.37
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479898	0	36	-3.0	-225.80	338.70	2.55	-223.25
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CS1	REAL300000479899	0	28	-2.0	-112.30	301.59	1.16	-111.14
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=CS1	REAL300000479899	1	27	-3.0	-218.62	299.28	0.31	-218.31
COC1=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)=CC(C(=O)[O-])=C1OC	REAL300000479900	0	39	-2.0	-116.68	368.45	0.84	-115.84
COC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CC(C(=O)[O-])=C1OC	REAL300000479900	1	39	-2.0	-117.08	368.20	1.94	-115.14
COC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479901	0	35	-2.0	-122.83	337.43	1.10	-121.73
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479901	1	35	-2.0	-122.61	337.24	2.20	-120.41
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479902	0	41	-2.0	-115.95	365.75	3.60	-112.35
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479902	1	41	-2.0	-120.22	365.18	4.66	-115.56
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CC=CC(F)=N1	REAL300000479903	0	40	-2.0	-114.05	364.31	2.99	-111.06
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(F)=N1	REAL300000479903	1	40	-2.0	-118.50	363.84	4.10	-114.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CC=CC(F)=N1	REAL300000479904	0	37	-2.0	-113.60	341.71	2.62	-110.98
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(F)=N1	REAL300000479904	1	37	-2.0	-114.10	340.12	3.65	-110.45
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(F)=N1	REAL300000479905	0	38	-2.0	-120.53	360.38	2.70	-117.83
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(F)=N1	REAL300000479905	1	37	-3.0	-230.74	358.07	1.85	-228.89
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479906	0	33	-3.0	-188.51	338.55	1.59	-186.92
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479906	1	33	-3.0	-192.95	338.36	2.69	-190.26
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479907	0	38	-2.0	-116.12	353.05	2.95	-113.17
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479907	1	38	-2.0	-120.67	354.20	4.01	-116.66
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C(C(=O)[O-])O1	REAL300000479908	0	31	-2.0	-109.57	312.96	1.28	-108.29
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C(C(=O)[O-])O1	REAL300000479908	1	30	-3.0	-212.31	310.65	0.43	-211.88
O=C([O-])C1=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)=CC2=C1OCCO2	REAL300000479909	0	37	-2.0	-112.46	352.32	0.80	-111.66
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CC2=C1OCCO2	REAL300000479909	1	37	-2.0	-121.54	352.12	1.90	-119.64
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479910	0	35	-2.0	-119.24	338.85	1.23	-118.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479910	1	34	-3.0	-230.90	336.54	0.39	-230.51
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=CC=CC(F)=N3)C=C2C1	REAL300000479911	0	38	-3.0	-207.28	361.26	1.90	-205.38
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479912	0	31	-2.0	-108.11	327.53	2.71	-105.40
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479912	1	30	-3.0	-211.12	325.22	1.85	-209.27
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=CC=C1OCC(=O)[O-]	REAL300000479913	0	37	-3.0	-204.28	358.79	2.27	-202.01
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(F)=N1	REAL300000479914	0	34	-2.0	-107.01	330.65	2.93	-104.08
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(F)=N1	REAL300000479914	1	33	-3.0	-211.21	328.34	2.07	-209.14
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1F	REAL300000479915	0	35	-2.0	-101.68	347.26	2.48	-99.20
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C1F	REAL300000479915	1	34	-3.0	-200.57	344.93	1.63	-198.94
CCOC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479916	0	38	-2.0	-112.77	359.28	2.01	-110.76
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479916	1	38	-2.0	-123.23	359.09	3.11	-120.12
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C(C(=O)[O-])S1	REAL300000479917	0	31	-2.0	-112.77	318.57	2.03	-110.74
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C(C(=O)[O-])S1	REAL300000479917	1	30	-3.0	-217.35	316.26	1.17	-216.18
CC1=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)C=C(C(=O)[O-])S1	REAL300000479917	1	31	-2.0	-100.53	309.76	1.78	-98.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C(Cl)=C1	REAL300000479918	0	31	-2.0	-101.77	322.99	2.68	-99.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C(Cl)=C1	REAL300000479918	1	30	-3.0	-203.20	320.68	1.82	-201.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1F	REAL300000479919	0	31	-2.0	-103.60	314.47	2.17	-101.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C1F	REAL300000479919	1	30	-3.0	-204.45	312.15	1.32	-203.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)S1	REAL300000479920	0	28	-2.0	-105.63	302.21	1.26	-104.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)S1	REAL300000479920	1	27	-3.0	-209.05	299.90	0.41	-208.64
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479921	0	31	-2.0	-107.45	316.35	2.20	-105.25
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479921	1	30	-3.0	-213.94	314.04	1.35	-212.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1F	REAL300000479922	0	34	-2.0	-114.58	335.71	2.83	-111.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=C1F	REAL300000479922	1	33	-3.0	-224.44	333.39	1.99	-222.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C(F)=C1	REAL300000479923	0	31	-2.0	-103.73	315.43	2.20	-101.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C(F)=C1	REAL300000479923	1	30	-3.0	-207.81	313.12	1.35	-206.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1Cl	REAL300000479924	0	31	-2.0	-101.69	322.44	2.53	-99.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C1Cl	REAL300000479924	1	30	-3.0	-203.61	320.12	1.69	-201.92
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(F)=N1	REAL300000479925	0	34	-2.0	-108.57	339.39	3.32	-105.25
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(F)=N1	REAL300000479925	1	33	-3.0	-213.34	337.08	2.46	-210.88
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1	REAL300000479926	0	39	-2.0	-100.14	373.69	3.54	-96.60
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C1	REAL300000479926	1	38	-3.0	-199.60	371.38	2.69	-196.91
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)C=C1	REAL300000479926	1	39	-2.0	-95.69	373.88	2.44	-93.25
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CC(F)=C1F	REAL300000479927	0	31	-2.0	-105.64	320.77	2.22	-103.42
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=CC(F)=C1F	REAL300000479927	1	30	-3.0	-208.93	318.45	1.38	-207.55
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479928	0	33	-2.0	-101.52	338.14	2.80	-98.72
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479928	1	32	-3.0	-206.23	335.83	1.95	-204.28
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479929	0	32	-2.0	-114.62	319.66	-0.14	-114.76
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C1	REAL300000479930	0	33	-3.0	-211.64	329.80	2.07	-209.57
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CC(Cl)=C1F	REAL300000479931	0	31	-2.0	-107.08	330.66	2.66	-104.42
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=CC(Cl)=C1F	REAL300000479931	1	30	-3.0	-211.40	328.34	1.81	-209.59
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[N-]C(=O)C1=CC=CC(F)=N1	REAL300000479932	0	34	-2.0	-113.18	309.93	2.71	-110.47
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(F)=N1	REAL300000479932	1	34	-2.0	-113.82	319.49	2.73	-111.09
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CC(C(=O)[O-])=C1F	REAL300000479933	0	34	-2.0	-115.50	334.80	2.78	-112.72
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=CC(C(=O)[O-])=C1F	REAL300000479933	1	33	-3.0	-222.37	332.49	1.93	-220.44
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)=CC(C(=O)[O-])=C1F	REAL300000479933	1	34	-2.0	-105.88	334.99	1.68	-104.20
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[N-]C(=O)C1=CC=CC(F)=N1	REAL300000479934	0	34	-2.0	-98.31	315.10	2.82	-95.49
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(F)=N1	REAL300000479934	1	34	-2.0	-104.02	325.36	2.89	-101.13
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)=CC(C(=O)[O-])=C1C	REAL300000479935	0	37	-2.0	-110.20	347.64	2.23	-107.97
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CC(C(=O)[O-])=C1C	REAL300000479935	1	37	-2.0	-121.12	347.44	3.33	-117.79
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CC=C1[N+](=O)[O-]	REAL300000479936	0	33	-2.0	-114.92	336.52	3.22	-111.70
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=CC=C1[N+](=O)[O-]	REAL300000479936	1	32	-3.0	-216.94	334.19	2.38	-214.56
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479937	0	31	-2.0	-104.96	321.70	2.26	-102.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479937	1	30	-3.0	-211.71	319.39	1.41	-210.30
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C(C)=C1C(=O)[O-]	REAL300000479938	0	36	-3.0	-228.20	341.02	2.61	-225.59
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479939	0	34	-2.0	-114.31	331.42	2.73	-111.58
CC1=CC(F)=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479939	1	33	-3.0	-224.39	329.11	1.88	-222.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1Cl	REAL300000479940	0	34	-2.0	-113.29	341.71	3.25	-110.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=C1Cl	REAL300000479940	1	33	-3.0	-220.33	339.40	2.40	-217.93
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479941	0	34	-2.0	-122.64	334.96	2.82	-119.82
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479941	1	33	-3.0	-235.05	332.67	1.97	-233.08
CCC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479942	0	37	-2.0	-107.41	344.42	2.22	-105.19
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479942	1	37	-2.0	-118.54	344.23	3.32	-115.22
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C1CC(=O)[O-]	REAL300000479943	0	37	-3.0	-225.02	358.10	1.41	-223.61
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(F)=N1	REAL300000479944	0	34	-2.0	-106.68	336.21	3.23	-103.45
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(F)=N1	REAL300000479944	1	33	-3.0	-213.97	334.40	2.41	-211.56
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CC(C(=O)[O-])=C1Cl	REAL300000479945	0	34	-2.0	-114.32	341.19	3.09	-111.23
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=CC(C(=O)[O-])=C1Cl	REAL300000479945	1	33	-3.0	-222.66	338.88	2.24	-220.42
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479946	0	35	-2.0	-116.68	337.97	2.35	-114.33
CCN1C=C(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479946	1	35	-2.0	-107.10	338.17	1.25	-105.85
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C(C)=C1CC(=O)[O-]	REAL300000479947	0	42	-3.0	-224.78	372.63	4.11	-220.67
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479948	0	34	-2.0	-111.28	343.69	3.20	-108.08
CC1=C(Cl)C=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479948	1	33	-3.0	-219.81	341.38	2.35	-217.46
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)=CC=C1C(=O)[O-]	REAL300000479949	0	34	-2.0	-100.65	326.15	1.58	-99.07
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CC=C1C(=O)[O-]	REAL300000479949	1	34	-2.0	-104.33	325.95	2.68	-101.65
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C([N+](=O)[O-])=C1	REAL300000479950	0	36	-2.0	-110.21	350.66	4.19	-106.02
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C([N+](=O)[O-])=C1	REAL300000479950	1	35	-3.0	-219.15	348.35	3.33	-215.82
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(F)=N1	REAL300000479951	0	33	-3.0	-217.17	327.59	2.08	-215.09
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CC=C1	REAL300000479952	0	33	-2.0	-125.01	333.67	3.99	-121.02
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=CC=C1	REAL300000479952	1	32	-3.0	-236.32	331.38	3.13	-233.19
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CC=C1	REAL300000479953	0	31	-2.0	-121.87	313.56	2.16	-119.71
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=CC=C1	REAL300000479953	1	30	-3.0	-233.51	311.29	1.32	-232.19
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479954	0	34	-2.0	-109.39	334.88	2.81	-106.58
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C1C(=O)[O-]	REAL300000479954	1	33	-3.0	-217.20	332.57	1.96	-215.24
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=CC2=CC=CC=C21	REAL300000479955	0	37	-2.0	-125.03	350.99	4.26	-120.77
O=C([O-])C1=CC(S(=O)(=O)N[N-]C(=O)C2=CC=CC(F)=N2)=CC2=CC=CC=C21	REAL300000479955	1	37	-2.0	-125.00	351.18	3.16	-121.84
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C1	REAL300000479956	0	30	-2.0	-114.32	306.17	0.26	-114.06
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=C1	REAL300000479956	1	29	-3.0	-223.63	303.85	-0.59	-224.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(F)=N1	REAL300000479957	0	35	-2.0	-108.42	338.15	1.94	-106.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CC(F)=N1	REAL300000479957	1	34	-3.0	-213.39	335.84	1.09	-212.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[N-]C(=O)C1=CC=CC(F)=N1	REAL300000479957	1	35	-2.0	-100.24	333.91	1.48	-98.76
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)=C(Cl)O1	REAL300000479958	0	28	-2.0	-103.72	310.09	1.11	-102.61
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)=C(Cl)O1	REAL300000479958	1	27	-3.0	-205.34	307.78	0.25	-205.09
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=CC=CC(F)=N3)C=C2)CC1	REAL300000479959	0	37	-3.0	-216.68	351.62	3.11	-213.57
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)C3=CC=CC(F)=N3)C=C2C1	REAL300000479960	0	38	-2.0	-115.50	355.40	4.02	-111.48
O=C([O-])C1CC2=CC=C(S(=O)(=O)N[N-]C(=O)C3=CC=CC(F)=N3)C=C2C1	REAL300000479960	1	38	-2.0	-109.31	355.59	2.93	-106.38
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(F)=N2)C=C(C(=O)[O-])O1	REAL300000479961	0	34	-2.0	-109.18	332.11	2.06	-107.12
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CC(F)=N2)C=C(C(=O)[O-])O1	REAL300000479961	1	33	-3.0	-211.60	329.79	1.21	-210.39
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000479962	1	40	-2.0	-129.00	359.32	7.35	-121.65
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000479963	1	37	-2.0	-131.87	343.88	6.57	-125.30
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C1	REAL300000479964	1	36	-2.0	-127.68	325.02	5.76	-121.92
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1	REAL300000479966	0	31	-2.0	-136.04	297.60	6.19	-129.85
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000479967	0	34	-2.0	-104.22	320.94	5.56	-98.66
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000479967	1	33	-3.0	-189.78	322.56	5.62	-184.16
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000479968	0	30	-2.0	-117.81	300.95	4.55	-113.26
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C1	REAL300000479969	1	32	-2.0	-123.44	309.90	6.31	-117.13
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000479971	0	31	-2.0	-125.28	311.32	6.49	-118.79
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C#N)=C1	REAL300000479972	0	32	-2.0	-135.91	307.20	6.20	-129.71
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1	REAL300000479973	0	31	-2.0	-126.91	305.58	6.61	-120.30
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1NC(C)=O	REAL300000479974	1	42	-2.0	-145.66	373.17	4.23	-141.43
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300000479975	1	35	-2.0	-120.01	335.07	5.70	-114.31
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000479976	0	34	-2.0	-121.20	320.38	6.44	-114.76
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000479976	1	33	-3.0	-201.25	322.09	6.50	-194.75
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C(C)=C(C)C(C)=C2C)=C1	REAL300000479977	1	46	-2.0	-132.51	365.76	9.06	-123.45
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000479978	0	35	-2.0	-124.40	338.40	7.99	-116.41
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1	REAL300000479979	1	40	-2.0	-129.42	351.93	5.85	-123.57
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300000479980	0	36	-2.0	-126.22	333.30	7.10	-119.12
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Br)S2)=C1	REAL300000479981	0	28	-2.0	-120.29	302.70	5.63	-114.66
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(C(C)(C)C)C=C2C)=C1	REAL300000479982	1	49	-2.0	-129.31	395.43	9.90	-119.41
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000479983	1	47	-2.0	-128.23	390.94	9.72	-118.51
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300000479984	1	34	-2.0	-119.45	327.82	6.91	-112.54
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1	REAL300000479985	1	41	-2.0	-131.72	351.82	8.40	-123.32
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000479986	0	34	-2.0	-104.67	315.64	6.41	-98.26
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000479986	1	33	-3.0	-189.36	317.54	6.48	-182.88
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000479987	0	39	-2.0	-136.11	346.83	4.99	-131.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1OC	REAL300000479988	1	39	-2.0	-127.15	347.82	5.12	-122.03
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1	REAL300000479989	1	38	-2.0	-131.80	334.62	7.82	-123.98
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000479990	0	33	-2.0	-118.25	302.18	4.87	-113.38
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1	REAL300000479991	1	31	-2.0	-118.37	321.01	6.89	-111.48
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000479992	0	34	-2.0	-121.50	315.72	6.41	-115.09
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000479992	1	33	-3.0	-205.35	317.56	6.47	-198.88
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300000479993	1	31	-2.0	-117.05	301.79	6.03	-111.02
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1	REAL300000479994	0	31	-2.0	-122.40	318.95	6.99	-115.41
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300000479995	1	34	-2.0	-123.84	328.17	6.93	-116.91
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000479996	1	34	-2.0	-129.73	310.52	6.58	-123.15
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1	REAL300000479998	0	34	-2.0	-130.02	313.65	7.26	-122.76
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300000479999	1	31	-2.0	-124.38	305.82	6.43	-117.95
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480000	1	36	-2.0	-126.98	331.84	6.40	-120.58
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480001	1	37	-2.0	-128.66	325.99	7.36	-121.30
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)=C1	REAL300000480002	1	37	-2.0	-131.14	327.51	7.12	-124.02
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1	REAL300000480003	1	31	-2.0	-117.32	311.68	6.48	-110.84
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480004	1	36	-2.0	-138.58	329.58	6.29	-132.29
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(C)=C1	REAL300000480005	1	37	-2.0	-128.13	325.99	7.35	-120.78
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480006	0	40	-2.0	-122.40	365.72	7.50	-114.90
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1	REAL300000480007	0	31	-2.0	-125.64	317.42	6.93	-118.71
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000480008	1	37	-2.0	-124.84	344.62	6.66	-118.18
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300000480009	1	43	-2.0	-129.02	365.31	8.23	-120.79
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)C)C=C2)=C1	REAL300000480010	1	40	-2.0	-128.82	349.34	7.84	-120.98
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480011	1	43	-2.0	-128.30	367.78	8.50	-119.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480012	0	37	-3.0	-206.41	345.70	6.27	-200.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480012	1	38	-2.0	-106.23	343.08	5.75	-100.48
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000480013	0	38	-2.0	-102.84	347.30	7.70	-95.14
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000480013	1	37	-3.0	-186.73	349.01	7.77	-178.96
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300000480014	0	28	-2.0	-120.08	298.06	5.53	-114.55
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480015	1	40	-2.0	-128.19	353.48	8.13	-120.06
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480016	0	35	-2.0	-135.16	317.35	5.70	-129.46
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000480017	0	37	-2.0	-101.30	331.63	6.93	-94.37
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000480017	1	36	-3.0	-207.52	333.58	7.00	-200.52
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480018	0	42	-2.0	-137.25	373.72	4.57	-132.68
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1	REAL300000480019	0	31	-2.0	-123.61	307.15	6.10	-117.51
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1	REAL300000480020	0	31	-2.0	-118.91	322.55	6.94	-111.97
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1	REAL300000480021	0	31	-2.0	-128.41	302.23	6.47	-121.94
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1	REAL300000480022	1	31	-2.0	-124.40	310.39	6.54	-117.86
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300000480023	0	33	-2.0	-124.53	317.31	6.58	-117.95
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)=C1	REAL300000480024	0	36	-2.0	-120.86	332.80	7.35	-113.51
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=C1	REAL300000480025	0	33	-2.0	-118.04	329.76	6.96	-111.08
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000480026	0	28	-2.0	-126.24	281.02	4.91	-121.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480027	1	35	-2.0	-126.35	318.58	5.21	-121.14
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300000480028	0	33	-2.0	-141.32	307.64	7.30	-134.02
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000480029	0	33	-3.0	-195.23	330.62	7.04	-188.19
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000480029	1	34	-2.0	-99.20	327.82	6.59	-92.61
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000480030	0	34	-2.0	-118.40	328.38	6.80	-111.60
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000480030	1	33	-3.0	-200.50	330.06	6.86	-193.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480031	1	34	-2.0	-129.13	310.50	6.59	-122.54
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480032	1	38	-2.0	-126.14	340.43	6.14	-120.00
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1	REAL300000480033	0	31	-2.0	-124.23	301.00	6.04	-118.19
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300000480034	0	31	-2.0	-124.75	295.50	5.98	-118.77
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1	REAL300000480035	0	31	-2.0	-118.09	301.91	6.05	-112.04
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)=C1	REAL300000480036	1	43	-2.0	-130.27	352.61	8.60	-121.67
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300000480037	1	37	-2.0	-129.38	333.58	5.07	-124.31
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(C)=C1	REAL300000480038	1	40	-2.0	-129.15	340.64	8.24	-120.91
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)=C1	REAL300000480039	1	46	-2.0	-130.29	380.79	9.02	-121.27
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300000480040	1	31	-2.0	-121.21	305.82	6.43	-114.78
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1	REAL300000480041	1	31	-2.0	-121.34	310.38	6.54	-114.80
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300000480042	0	33	-2.0	-115.08	317.33	6.58	-108.50
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000480043	1	31	-2.0	-128.71	289.09	5.91	-122.80
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480044	1	38	-2.0	-133.29	345.16	4.80	-128.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])S1	REAL300000480045	0	31	-2.0	-127.59	302.92	5.71	-121.88
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000480046	0	40	-2.0	-99.60	347.39	7.74	-91.86
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000480046	1	39	-3.0	-202.37	350.66	7.81	-194.56
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480047	0	35	-2.0	-127.49	334.08	6.22	-121.27
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=C1	REAL300000480048	0	33	-2.0	-131.01	326.90	7.85	-123.16
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000480049	0	33	-3.0	-198.90	323.03	6.53	-192.37
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1	REAL300000480050	0	28	-2.0	-117.49	311.93	6.06	-111.43
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCC(C)C)C=C2)=C1	REAL300000480051	1	46	-2.0	-127.96	392.55	9.42	-118.54
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=C1	REAL300000480052	0	36	-2.0	-124.65	327.34	7.19	-117.46
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1	REAL300000480053	0	31	-2.0	-126.98	301.00	6.04	-120.94
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000480054	0	40	-2.0	-101.93	359.51	8.00	-93.93
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000480054	1	39	-3.0	-185.58	361.13	8.06	-177.52
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480055	1	41	-2.0	-132.94	365.74	5.62	-127.32
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1	REAL300000480056	1	35	-2.0	-122.35	324.83	2.73	-119.62
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480057	1	35	-2.0	-126.50	329.29	6.93	-119.57
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1	REAL300000480058	1	36	-2.0	-123.98	331.11	4.37	-119.61
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000480059	1	39	-2.0	-125.03	348.90	5.10	-119.93
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1OCC	REAL300000480060	1	45	-2.0	-127.74	391.53	6.96	-120.78
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)=C1	REAL300000480061	1	36	-2.0	-123.84	337.36	6.09	-117.75
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000480062	0	30	-3.0	-197.81	310.74	5.48	-192.33
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1	REAL300000480063	1	34	-2.0	-121.88	320.83	3.41	-118.47
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000480065	0	37	-2.0	-98.29	329.26	7.16	-91.13
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000480065	1	36	-3.0	-199.99	332.99	7.26	-192.73
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480066	0	37	-2.0	-126.81	326.71	4.98	-121.83
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)=C1	REAL300000480067	0	39	-2.0	-121.13	350.52	7.92	-113.21
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480068	0	37	-2.0	-122.82	343.86	6.57	-116.25
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480069	0	38	-2.0	-127.17	345.52	4.19	-122.98
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)=C1	REAL300000480070	0	36	-2.0	-129.89	343.33	0.87	-129.02
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)=C1	REAL300000480071	1	42	-2.0	-135.93	366.89	7.03	-128.90
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=C1	REAL300000480072	0	35	-2.0	-126.88	323.59	2.69	-124.19
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC(C)=CC(F)=C3C(=O)[O-])=CC=C21	REAL300000480073	1	42	-2.0	-138.09	368.35	6.96	-131.13
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480074	1	37	-2.0	-128.72	331.99	7.35	-121.37
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300000480075	1	37	-2.0	-132.94	335.03	8.19	-124.75
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=CS1	REAL300000480076	0	34	-2.0	-137.51	328.67	6.22	-131.29
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480077	1	41	-2.0	-127.39	365.66	6.42	-120.97
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000480078	0	38	-2.0	-102.85	346.98	6.69	-96.16
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000480078	1	37	-3.0	-185.82	348.62	6.76	-179.06
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C	REAL300000480079	1	45	-2.0	-128.92	394.14	6.15	-122.77
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=C1	REAL300000480080	1	42	-2.0	-131.54	373.33	10.03	-121.51
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC(C)C)C=C2)=C1	REAL300000480081	1	43	-2.0	-128.51	370.25	8.60	-119.91
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1	REAL300000480082	1	31	-2.0	-120.23	295.49	5.98	-114.25
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2F)=C1	REAL300000480083	0	31	-2.0	-133.74	294.59	5.97	-127.77
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)=C1	REAL300000480084	0	36	-2.0	-122.95	344.22	4.91	-118.04
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C1	REAL300000480085	1	36	-2.0	-123.56	331.47	6.42	-117.14
CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480086	0	39	-2.0	-146.57	350.44	7.18	-139.39
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480087	1	41	-2.0	-125.57	361.93	6.94	-118.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(Cl)=C1	REAL300000480088	0	34	-2.0	-128.51	323.64	7.14	-121.37
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1	REAL300000480089	0	35	-2.0	-130.72	333.85	6.19	-124.53
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=C1	REAL300000480090	1	37	-2.0	-124.51	339.83	3.15	-121.36
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)=C1	REAL300000480091	0	36	-2.0	-133.59	343.33	0.87	-132.72
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)=C1	REAL300000480092	1	39	-2.0	-124.52	351.93	6.34	-118.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300000480093	0	37	-2.0	-136.89	339.63	6.64	-130.25
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)=C1	REAL300000480094	1	37	-2.0	-121.46	345.64	2.91	-118.55
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)=C1	REAL300000480095	0	38	-2.0	-121.37	354.93	5.17	-116.20
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000480096	1	36	-2.0	-120.57	336.80	7.41	-113.16
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)=C1	REAL300000480097	1	37	-2.0	-123.73	343.23	5.87	-117.86
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000480098	1	35	-2.0	-122.38	335.09	5.70	-116.68
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=C1	REAL300000480099	0	37	-2.0	-135.19	349.79	3.43	-131.76
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C=C2C)=C1	REAL300000480100	1	34	-2.0	-119.34	310.98	6.76	-112.58
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300000480101	0	31	-2.0	-119.58	308.62	6.54	-113.04
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=C1	REAL300000480102	0	43	-2.0	-134.97	375.02	5.24	-129.73
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000480103	0	38	-2.0	-143.66	350.66	4.86	-138.80
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=C1	REAL300000480104	0	37	-2.0	-139.08	349.79	3.43	-135.65
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)=C1	REAL300000480105	1	40	-2.0	-130.73	363.29	8.61	-122.12
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1OC	REAL300000480107	0	39	-2.0	-129.28	353.30	5.18	-124.10
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1OC	REAL300000480108	1	42	-2.0	-125.80	363.27	5.89	-119.91
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000480109	0	34	-3.0	-203.11	324.21	5.83	-197.28
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000480109	1	35	-2.0	-119.00	324.09	5.81	-113.19
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=C1	REAL300000480110	0	31	-2.0	-134.98	306.57	5.48	-129.50
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=C1	REAL300000480111	0	36	-2.0	-125.13	331.04	2.08	-123.05
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000480112	0	38	-2.0	-99.74	338.02	5.21	-94.53
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000480112	1	37	-3.0	-199.27	341.34	5.31	-193.96
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480113	1	42	-2.0	-127.79	374.06	5.41	-122.38
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000480114	1	35	-2.0	-124.24	334.61	5.77	-118.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1F	REAL300000480115	1	35	-2.0	-124.02	324.80	5.29	-118.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C	REAL300000480116	1	38	-2.0	-127.68	338.68	5.95	-121.73
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C	REAL300000480117	1	41	-2.0	-127.51	360.53	6.88	-120.63
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)=C1	REAL300000480118	1	38	-2.0	-122.25	339.68	3.36	-118.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C(N)=O	REAL300000480119	1	39	-2.0	-123.95	350.90	3.29	-120.66
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2)=C1	REAL300000480120	0	31	-2.0	-124.36	293.64	3.62	-120.74
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)=C1	REAL300000480121	0	36	-2.0	-114.22	332.80	7.36	-106.86
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CN1C	REAL300000480123	0	39	-2.0	-126.18	352.97	3.57	-122.61
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)=C1	REAL300000480124	1	34	-2.0	-122.80	321.31	7.21	-115.59
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCC(C)C)C=C2)=C1	REAL300000480125	1	44	-2.0	-125.76	382.04	7.63	-118.13
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC(C)=CC(F)=C3C(=O)[O-])C=N2)C=C1	REAL300000480126	0	41	-2.0	-127.01	371.06	7.71	-119.30
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C1	REAL300000480127	1	38	-2.0	-119.18	348.60	6.34	-112.84
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)=C1	REAL300000480128	1	42	-2.0	-126.59	364.56	6.04	-120.55
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C	REAL300000480129	1	41	-2.0	-128.72	362.67	6.80	-121.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480130	0	33	-3.0	-193.41	326.66	6.16	-187.25
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=C1	REAL300000480131	1	32	-2.0	-117.27	326.65	6.35	-110.92
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=C1	REAL300000480132	1	32	-2.0	-116.29	325.31	6.72	-109.57
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000480133	0	40	-2.0	-98.20	345.18	7.71	-90.49
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000480133	1	39	-3.0	-201.99	349.01	7.79	-194.20
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C1	REAL300000480134	1	35	-2.0	-132.42	327.45	6.28	-126.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C2=CC=CN=C12	REAL300000480135	1	40	-2.0	-131.02	354.40	5.70	-125.32
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)=C1	REAL300000480136	1	34	-2.0	-125.59	324.56	7.03	-118.56
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1	REAL300000480137	0	31	-2.0	-130.65	310.75	6.47	-124.18
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(C)C)C(C)=C2)=C1	REAL300000480138	1	44	-2.0	-128.18	378.45	7.50	-120.68
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480139	0	37	-2.0	-121.10	345.56	6.37	-114.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C2=CC=CC=C12	REAL300000480140	1	41	-2.0	-135.35	358.46	7.57	-127.78
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=C1	REAL300000480141	1	34	-2.0	-125.47	315.81	6.62	-118.85
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)=C1	REAL300000480142	1	34	-2.0	-120.46	321.31	7.19	-113.27
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480143	0	34	-2.0	-134.14	316.00	6.64	-127.50
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)=C1	REAL300000480144	1	34	-2.0	-122.72	310.98	6.76	-115.96
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C1	REAL300000480145	1	37	-2.0	-126.74	349.14	7.98	-118.76
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=C1	REAL300000480146	0	36	-2.0	-142.76	322.72	8.17	-134.59
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)=C1	REAL300000480147	0	39	-2.0	-129.84	354.39	5.16	-124.68
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)=C1	REAL300000480148	1	41	-2.0	-137.06	361.23	5.76	-131.30
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000480149	1	45	-2.0	-125.76	383.74	8.13	-117.63
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480150	0	39	-2.0	-146.44	350.36	7.19	-139.25
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCCC(C)C)C=C2)=C1	REAL300000480151	1	47	-2.0	-125.47	401.00	8.24	-117.23
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480152	1	41	-2.0	-128.96	374.94	6.83	-122.13
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000480153	0	30	-3.0	-199.62	309.21	5.51	-194.11
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000480153	1	31	-2.0	-116.92	308.76	5.50	-111.42
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC(C)=C2Cl)=C1	REAL300000480154	0	34	-2.0	-129.24	331.43	7.80	-121.44
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=C1	REAL300000480155	0	33	-2.0	-114.52	330.45	7.15	-107.37
COC1=CC=C(S(=O)(=O)NC2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000480156	0	38	-2.0	-128.40	342.92	6.47	-121.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000480156	1	37	-3.0	-211.70	344.85	6.54	-205.16
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)=C1	REAL300000480157	0	39	-2.0	-130.50	339.20	7.29	-123.21
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)C=CS2)=C1	REAL300000480158	0	28	-2.0	-122.63	301.40	5.47	-117.16
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CC=C1O	REAL300000480159	1	38	-2.0	-124.82	352.69	4.60	-120.22
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480160	1	44	-2.0	-135.69	392.78	5.71	-129.98
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1	REAL300000480161	0	33	-2.0	-132.84	316.58	7.40	-125.44
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000480162	0	43	-2.0	-104.57	368.49	8.06	-96.51
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000480162	1	42	-3.0	-202.68	370.71	8.47	-194.21
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300000480163	1	41	-2.0	-129.73	363.28	9.32	-120.41
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1	REAL300000480164	0	33	-2.0	-137.90	322.49	7.28	-130.62
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480165	1	42	-2.0	-138.17	379.84	5.58	-132.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(C)=C1	REAL300000480166	1	38	-2.0	-125.82	334.05	5.99	-119.83
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C	REAL300000480167	1	41	-2.0	-126.53	353.70	6.73	-119.80
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)=C1	REAL300000480168	1	42	-2.0	-138.81	377.15	5.89	-132.92
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480169	0	35	-2.0	-127.42	320.28	4.27	-123.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480170	0	40	-2.0	-103.31	344.36	7.58	-95.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480170	1	39	-3.0	-194.05	343.15	8.01	-186.04
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1	REAL300000480171	0	34	-2.0	-133.00	328.62	6.82	-126.18
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480172	0	40	-3.0	-214.58	367.98	7.04	-207.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480172	1	41	-2.0	-101.06	362.53	6.46	-94.60
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000480173	0	36	-3.0	-181.94	344.18	6.97	-174.97
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000480173	1	35	-4.0	-297.68	345.96	7.03	-290.65
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])S1	REAL300000480174	0	34	-2.0	-120.75	336.97	5.67	-115.08
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000480175	0	41	-2.0	-104.93	358.84	7.94	-96.99
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000480175	1	40	-3.0	-206.37	361.80	8.37	-198.00
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])=C1	REAL300000480176	0	39	-2.0	-141.31	349.30	8.54	-132.77
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C1	REAL300000480177	0	35	-2.0	-119.19	326.91	6.28	-112.91
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1	REAL300000480178	0	31	-2.0	-124.78	304.01	6.27	-118.51
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000480179	0	33	-3.0	-192.60	320.56	5.62	-186.98
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1	REAL300000480180	0	34	-2.0	-149.36	317.29	5.11	-144.25
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480181	0	37	-2.0	-132.49	349.35	6.62	-125.87
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480182	0	41	-2.0	-137.60	360.61	7.29	-130.31
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000480183	1	34	-2.0	-116.65	333.41	6.97	-109.68
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480184	1	47	-2.0	-125.55	404.93	8.50	-117.05
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1	REAL300000480185	0	33	-2.0	-140.05	322.82	8.06	-131.99
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1	REAL300000480186	1	36	-2.0	-137.85	337.43	6.08	-131.77
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1	REAL300000480187	0	30	-2.0	-118.45	305.41	4.72	-113.73
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480188	1	45	-2.0	-127.87	395.91	6.37	-121.50
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1	REAL300000480189	0	33	-2.0	-144.38	315.12	7.54	-136.84
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000480190	0	37	-3.0	-209.00	346.54	5.56	-203.44
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000480190	1	38	-2.0	-112.58	343.84	5.09	-107.49
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000480191	0	38	-2.0	-127.53	349.66	7.03	-120.50
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000480192	0	41	-2.0	-125.71	375.07	7.48	-118.23
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1	REAL300000480193	0	30	-2.0	-118.18	290.50	4.20	-113.98
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C(F)(F)F)=C2)=C1	REAL300000480194	1	37	-2.0	-124.87	343.52	7.43	-117.44
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)=C1	REAL300000480195	1	41	-2.0	-124.50	369.35	6.82	-117.68
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480196	0	34	-2.0	-126.39	337.14	5.57	-120.82
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480197	0	39	-2.0	-115.75	343.02	8.10	-107.65
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=C1	REAL300000480198	0	36	-2.0	-129.97	325.25	6.33	-123.64
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1	REAL300000480199	0	30	-2.0	-119.33	314.25	5.04	-114.29
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000480200	0	41	-2.0	-102.90	366.88	7.39	-95.51
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000480200	1	40	-3.0	-186.62	368.71	7.46	-179.16
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C=N2)=C1	REAL300000480201	0	31	-2.0	-136.18	293.11	5.01	-131.17
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(C)=C1	REAL300000480202	1	41	-2.0	-125.53	355.91	6.92	-118.61
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC(C)=CC(F)=C3C(=O)[O-])C=C12	REAL300000480203	0	39	-2.0	-122.78	355.42	5.65	-117.13
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C)=CC(F)=C3C(=O)[O-])C=C12	REAL300000480204	0	35	-2.0	-117.46	328.84	2.89	-114.57
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=C1	REAL300000480205	0	31	-2.0	-113.46	307.68	4.04	-109.42
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=C1	REAL300000480206	1	40	-2.0	-129.44	370.63	8.76	-120.68
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1	REAL300000480207	0	31	-2.0	-132.10	300.86	6.04	-126.06
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000480208	0	35	-2.0	-131.23	327.07	5.50	-125.73
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1	REAL300000480209	0	33	-2.0	-132.98	326.91	7.85	-125.13
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000480210	0	37	-2.0	-94.45	335.64	7.24	-87.21
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000480210	1	36	-3.0	-190.60	338.27	7.30	-183.30
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1	REAL300000480211	0	37	-2.0	-134.79	332.23	5.55	-129.24
CC1=NC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CN1C	REAL300000480212	0	34	-2.0	-138.27	312.62	4.81	-133.46
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1	REAL300000480213	0	35	-2.0	-130.27	327.11	5.96	-124.31
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480214	1	40	-2.0	-131.49	365.74	7.49	-124.00
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=N1	REAL300000480215	0	34	-2.0	-124.80	315.17	4.48	-120.32
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480216	0	43	-2.0	-122.12	387.22	8.29	-113.83
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480217	1	38	-2.0	-130.32	344.16	5.63	-124.69
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000480218	0	34	-2.0	-125.79	333.65	6.98	-118.81
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1	REAL300000480219	0	31	-2.0	-128.03	321.17	6.01	-122.02
CCOC1=CC=C(S(=O)(=O)NC2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000480220	0	41	-2.0	-107.63	364.99	7.38	-100.25
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000480220	1	40	-3.0	-212.58	366.69	7.45	-205.13
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1	REAL300000480221	1	36	-2.0	-127.61	325.07	5.21	-122.40
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CC=C1F	REAL300000480222	1	40	-2.0	-119.93	370.28	7.51	-112.42
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1	REAL300000480223	0	31	-2.0	-122.17	308.62	6.54	-115.63
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(F)=C3C(=O)[O-])C=C2)=CO1	REAL300000480224	1	40	-2.0	-131.63	365.48	4.98	-126.65
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OC(C)CC3=C2)=C1	REAL300000480226	1	39	-2.0	-127.85	346.01	6.52	-121.33
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=C1	REAL300000480227	0	35	-2.0	-120.30	333.38	2.76	-117.54
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480228	0	31	-2.0	-122.28	289.48	2.96	-119.32
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480229	1	35	-2.0	-130.96	318.59	5.21	-125.75
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C)=C1	REAL300000480230	1	34	-2.0	-127.74	304.58	6.68	-121.06
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])S1	REAL300000480231	0	37	-2.0	-132.04	350.72	4.13	-127.91
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])S1	REAL300000480231	1	36	-3.0	-200.48	346.47	3.04	-197.44
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=NN(C)C=C2)=C1	REAL300000480232	0	31	-2.0	-134.50	293.94	3.44	-131.06
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C)=C1	REAL300000480233	0	31	-2.0	-119.98	289.33	3.55	-116.43
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)CC2CCCO2)=C1	REAL300000480235	1	35	-2.0	-127.81	308.44	4.14	-123.67
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)CC2CCCCO2)=C1	REAL300000480236	1	38	-2.0	-126.93	325.95	5.20	-121.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000480239	0	34	-2.0	-133.77	316.01	6.65	-127.12
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)=C1	REAL300000480240	1	34	-2.0	-121.31	315.81	6.61	-114.70
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])O1	REAL300000480241	0	34	-2.0	-122.19	328.64	4.71	-117.48
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1	REAL300000480242	0	36	-2.0	-145.97	329.03	6.54	-139.43
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000480243	0	37	-2.0	-134.86	355.52	6.59	-128.27
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1	REAL300000480244	0	31	-2.0	-117.99	307.31	6.10	-111.89
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000480245	0	33	-3.0	-195.74	326.18	6.37	-189.37
CC1=C(S(=O)(=O)NC2=CC(C)=CC(F)=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000480245	1	34	-2.0	-101.05	323.88	5.91	-95.14
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1C	REAL300000480246	1	40	-2.0	-131.46	353.42	7.23	-124.23
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480247	0	35	-2.0	-128.64	331.70	5.77	-122.87
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)=C1	REAL300000480248	0	33	-2.0	-119.14	319.74	5.13	-114.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(C)=C1C	REAL300000480249	1	41	-2.0	-127.23	350.43	6.63	-120.60
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480250	1	40	-2.0	-132.65	366.04	7.36	-125.29
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(F)=C3C(=O)[O-])C=C21	REAL300000480252	1	42	-2.0	-152.18	367.91	6.94	-145.24
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480253	0	43	-2.0	-128.35	368.21	6.52	-121.83
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])SC=C1	REAL300000480254	0	31	-2.0	-127.59	297.32	5.73	-121.86
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1C	REAL300000480255	0	40	-2.0	-127.26	347.60	5.81	-121.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C	REAL300000480256	0	40	-2.0	-123.49	359.89	7.10	-116.39
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)=C1	REAL300000480257	0	36	-2.0	-116.24	333.33	7.09	-109.15
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000480260	1	39	-2.0	-140.55	348.68	4.37	-136.18
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)=C1	REAL300000480261	1	35	-2.0	-124.46	332.07	6.15	-118.31
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CC=C1F	REAL300000480262	1	38	-2.0	-138.36	350.26	4.93	-133.43
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2F)=C1	REAL300000480263	0	36	-2.0	-125.34	338.77	7.17	-118.17
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=C3OC(C)CC3=C2)=C1	REAL300000480264	1	39	-2.0	-125.19	362.86	7.03	-118.16
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CC=C1C	REAL300000480265	1	41	-2.0	-150.37	363.68	5.71	-144.66
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480266	0	35	-2.0	-129.59	326.74	6.38	-123.21
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)=C1	REAL300000480267	1	35	-2.0	-118.13	328.45	6.64	-111.49
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000480269	1	40	-2.0	-134.87	357.78	5.98	-128.89
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CC=C1OC	REAL300000480270	1	41	-2.0	-126.25	371.17	6.61	-119.64
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=C1	REAL300000480271	0	32	-2.0	-123.40	315.42	6.36	-117.04
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(F)=C3C(=O)[O-])C=C2O1	REAL300000480272	0	36	-2.0	-126.62	332.74	3.57	-123.05
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=C1	REAL300000480273	0	37	-2.0	-125.47	333.85	5.00	-120.47
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1	REAL300000480274	1	36	-2.0	-129.96	330.05	6.30	-123.66
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=N1	REAL300000480275	0	37	-2.0	-128.80	348.47	4.69	-124.11
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=C1	REAL300000480276	0	37	-2.0	-139.81	333.06	4.35	-135.46
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])=C1	REAL300000480277	0	34	-2.0	-131.66	335.77	7.08	-124.58
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300000480280	0	40	-2.0	-130.81	361.29	7.30	-123.51
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480281	1	42	-2.0	-122.00	371.69	5.56	-116.44
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000480282	0	31	-2.0	-111.37	308.09	6.09	-105.28
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=C1	REAL300000480283	1	42	-2.0	-125.44	371.71	7.75	-117.69
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CN1C	REAL300000480285	0	38	-2.0	-131.10	350.26	6.02	-125.08
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480286	1	46	-2.0	-128.88	379.53	8.70	-120.18
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000480287	0	33	-3.0	-186.56	330.61	7.03	-179.53
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000480287	1	34	-2.0	-96.12	327.80	6.59	-89.53
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000480288	0	34	-2.0	-103.70	320.08	6.44	-97.26
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000480288	1	33	-3.0	-188.06	322.08	6.51	-181.55
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)=C1	REAL300000480289	1	39	-2.0	-137.15	355.57	5.33	-131.82
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000480290	0	38	-2.0	-130.75	354.05	7.18	-123.57
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480291	1	41	-2.0	-138.52	367.33	6.58	-131.94
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)=C1	REAL300000480292	1	37	-2.0	-122.54	336.12	7.25	-115.29
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000480293	0	30	-3.0	-191.52	309.82	5.60	-185.92
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=C1	REAL300000480294	0	40	-2.0	-136.36	353.64	7.17	-129.19
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000480295	0	33	-3.0	-194.91	323.96	6.54	-188.37
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000480295	1	34	-2.0	-96.40	322.27	6.47	-89.93
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000480296	0	36	-3.0	-201.21	343.30	7.16	-194.05
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)=C1	REAL300000480297	1	45	-2.0	-125.30	381.90	7.97	-117.33
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CN1	REAL300000480298	0	35	-2.0	-127.72	332.49	4.25	-123.47
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000480299	0	33	-3.0	-190.55	323.02	6.54	-184.01
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000480300	0	34	-2.0	-101.38	328.10	6.79	-94.59
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000480300	1	33	-3.0	-186.74	330.05	6.87	-179.87
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)=C1	REAL300000480301	1	34	-2.0	-124.60	309.48	6.73	-117.87
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CC=C1C	REAL300000480302	1	40	-2.0	-125.68	359.94	7.10	-118.58
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CS1	REAL300000480303	0	34	-2.0	-126.58	336.36	5.59	-120.99
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CC=C1F	REAL300000480304	1	37	-2.0	-119.54	348.42	6.59	-112.95
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])S1	REAL300000480305	0	33	-2.0	-124.48	313.37	4.51	-119.97
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=C1	REAL300000480306	1	35	-2.0	-131.53	331.35	7.09	-124.44
CC(=O)NC1=CC(S(=O)(=O)NC2=CC(C)=CC(F)=C2C(=O)[O-])=CC=C1[O-]	REAL300000480307	1	39	-2.0	-106.76	349.08	2.77	-103.99
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)=C1	REAL300000480310	1	37	-2.0	-121.86	343.32	7.69	-114.17
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480311	1	37	-2.0	-130.20	331.98	7.34	-122.86
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=C1	REAL300000480312	0	34	-2.0	-125.59	344.74	7.85	-117.74
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)=C1	REAL300000480313	0	34	-2.0	-125.22	316.91	6.65	-118.57
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480315	0	37	-2.0	-123.86	346.99	5.38	-118.48
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=C1	REAL300000480316	1	37	-2.0	-123.11	340.47	4.97	-118.14
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000480317	0	34	-2.0	-111.96	326.66	6.50	-105.46
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000480317	1	33	-3.0	-191.58	328.37	6.56	-185.02
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000480318	0	35	-3.0	-188.62	345.74	7.14	-181.48
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000480318	1	36	-2.0	-106.11	344.06	7.08	-99.03
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=C1	REAL300000480319	0	34	-2.0	-130.26	342.44	7.78	-122.48
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480320	0	41	-2.0	-135.85	372.03	6.36	-129.49
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480321	1	43	-2.0	-129.86	376.99	7.89	-121.97
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)=C1	REAL300000480322	1	42	-2.0	-128.30	366.53	7.17	-121.13
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)=C1	REAL300000480323	0	34	-2.0	-124.81	321.30	6.67	-118.14
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=C1	REAL300000480324	0	37	-2.0	-137.09	340.86	8.98	-128.11
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1	REAL300000480325	0	37	-2.0	-138.13	330.14	8.22	-129.91
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1	REAL300000480326	0	33	-2.0	-126.50	321.08	5.39	-121.11
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000480327	0	34	-3.0	-195.89	327.27	4.17	-191.72
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000480327	1	34	-3.0	-180.36	321.05	4.52	-175.84
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1	REAL300000480328	1	41	-2.0	-132.80	344.42	8.54	-124.26
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000480329	0	37	-2.0	-102.73	338.11	7.19	-95.54
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000480329	1	36	-3.0	-190.74	339.73	7.26	-183.48
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])O1	REAL300000480330	0	37	-2.0	-122.64	350.50	5.64	-117.00
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1	REAL300000480331	0	33	-2.0	-115.97	323.71	6.65	-109.32
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480332	0	36	-2.0	-134.87	342.64	6.87	-128.00
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)=C1	REAL300000480333	1	43	-2.0	-127.64	379.81	7.44	-120.20
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)=C1	REAL300000480334	0	34	-2.0	-138.07	331.84	6.63	-131.44
COC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])SC=C1	REAL300000480335	0	32	-2.0	-133.79	311.26	4.19	-129.60
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300000480336	0	37	-2.0	-131.28	345.84	7.01	-124.27
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000480337	0	34	-2.0	-132.34	318.86	6.30	-126.04
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)=C1	REAL300000480338	0	39	-2.0	-148.38	350.60	7.15	-141.23
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)=C1	REAL300000480339	1	42	-2.0	-123.19	372.39	5.43	-117.76
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=C1	REAL300000480340	0	37	-2.0	-128.60	344.51	8.64	-119.96
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])SC2=CC=CC(F)=C12	REAL300000480341	0	37	-2.0	-132.71	346.59	8.11	-124.60
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)=C1	REAL300000480342	0	36	-2.0	-124.72	343.11	7.29	-117.43
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480343	0	33	-2.0	-133.02	322.34	4.66	-128.36
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC(C)=CC(F)=C3C(=O)[O-])C=NC2=C1Cl	REAL300000480345	0	36	-2.0	-117.25	350.08	5.87	-111.38
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=C1	REAL300000480346	0	31	-2.0	-117.60	305.14	4.82	-112.78
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=C1	REAL300000480347	0	31	-2.0	-136.21	309.44	4.73	-131.48
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480348	0	39	-2.0	-132.31	348.09	4.52	-127.79
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1	REAL300000480349	0	32	-2.0	-134.52	304.93	4.65	-129.87
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=C1	REAL300000480350	0	32	-2.0	-116.92	311.31	3.74	-113.18
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])S1	REAL300000480351	0	30	-2.0	-123.93	297.62	3.74	-120.19
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)=C1	REAL300000480352	1	36	-2.0	-113.15	337.30	7.38	-105.77
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000480353	0	37	-2.0	-122.27	324.66	7.07	-115.20
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000480353	1	36	-3.0	-206.82	327.59	7.12	-199.70
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000480355	0	38	-2.0	-147.31	353.70	3.78	-143.53
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000480356	0	37	-2.0	-102.23	340.66	7.06	-95.17
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000480356	1	36	-3.0	-203.26	342.39	7.12	-196.14
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000480357	0	37	-2.0	-103.15	330.20	7.20	-95.95
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000480357	1	36	-3.0	-188.60	332.97	7.25	-181.35
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C(C)N1	REAL300000480359	0	44	-2.0	-127.58	385.11	6.60	-120.98
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)=C1	REAL300000480360	0	34	-2.0	-127.21	321.28	6.68	-120.53
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000480361	0	37	-2.0	-116.00	344.62	6.66	-109.34
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000480362	0	40	-2.0	-125.16	353.31	7.61	-117.55
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000480362	1	39	-3.0	-210.42	350.43	7.54	-202.88
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1	REAL300000480363	0	37	-2.0	-138.69	346.84	8.73	-129.96
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000480364	0	35	-3.0	-200.62	344.13	7.57	-193.05
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000480364	1	36	-2.0	-105.27	342.41	7.50	-97.77
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1	REAL300000480365	0	34	-2.0	-125.58	334.43	7.41	-118.17
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1CC	REAL300000480366	1	43	-2.0	-131.44	366.16	8.48	-122.96
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000480368	0	33	-3.0	-190.90	329.29	6.60	-184.30
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)=C1	REAL300000480369	0	36	-2.0	-116.89	342.14	7.24	-109.65
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1	REAL300000480370	0	30	-2.0	-123.94	308.06	5.36	-118.58
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=C1	REAL300000480371	0	37	-2.0	-136.07	334.53	6.30	-129.77
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=N1	REAL300000480372	0	36	-2.0	-118.78	339.84	4.74	-114.04
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1	REAL300000480373	0	30	-2.0	-114.80	314.54	5.08	-109.72
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000480374	0	40	-2.0	-127.65	348.26	7.80	-119.85
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000480374	1	39	-3.0	-211.91	351.09	7.87	-204.04
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000480375	0	36	-3.0	-200.92	339.03	7.07	-193.85
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000480376	0	36	-3.0	-217.88	342.59	7.16	-210.72
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1	REAL300000480377	0	31	-2.0	-114.38	316.34	6.39	-107.99
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480378	1	39	-2.0	-139.14	352.18	7.18	-131.96
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=N1	REAL300000480379	0	38	-2.0	-122.87	348.85	3.53	-119.34
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000480380	0	36	-2.0	-134.96	339.41	6.76	-128.20
CCC1=CC=C(S(=O)(=O)NC2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000480381	0	40	-2.0	-101.58	350.03	7.59	-93.99
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000480381	1	39	-3.0	-208.68	351.52	7.66	-201.02
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1	REAL300000480382	0	42	-2.0	-125.19	366.25	4.45	-120.74
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)=C1	REAL300000480385	0	35	-2.0	-137.71	326.38	6.70	-131.01
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)=C1	REAL300000480386	0	37	-2.0	-95.41	334.31	6.32	-89.09
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)=C1	REAL300000480386	1	36	-3.0	-187.43	338.02	6.40	-181.03
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=C1	REAL300000480387	0	40	-2.0	-128.92	362.09	7.56	-121.36
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480388	0	37	-2.0	-135.62	336.42	6.67	-128.95
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300000480389	0	39	-2.0	-123.21	347.13	3.66	-119.55
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)=C1	REAL300000480390	1	38	-2.0	-129.35	353.44	6.46	-122.89
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=C1	REAL300000480391	0	34	-2.0	-135.44	314.91	6.62	-128.82
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=N1	REAL300000480392	0	37	-2.0	-121.27	338.12	3.54	-117.73
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1	REAL300000480393	0	38	-2.0	-143.81	335.04	5.94	-137.87
COC1=CC=C(S(=O)(=O)NC2=CC(C)=CC(F)=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000480394	0	41	-2.0	-130.33	366.24	6.54	-123.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1CC(=O)[O-]	REAL300000480394	1	40	-3.0	-215.52	368.02	6.60	-208.92
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480395	1	38	-2.0	-127.91	344.16	5.64	-122.27
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480396	0	36	-2.0	-127.35	328.36	2.90	-124.45
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)=C1	REAL300000480397	0	34	-2.0	-129.87	320.96	7.05	-122.82
CC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C(C)O1	REAL300000480399	0	34	-2.0	-124.82	312.04	5.49	-119.33
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=C1	REAL300000480400	0	37	-2.0	-134.34	335.34	3.58	-130.76
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=C1	REAL300000480401	1	39	-2.0	-128.67	342.79	6.54	-122.13
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480402	0	40	-2.0	-123.94	372.16	7.56	-116.38
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480403	0	38	-2.0	-127.63	335.71	5.95	-121.68
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300000480404	0	40	-2.0	-116.93	362.23	6.21	-110.72
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(C)C)C=C2)=C1	REAL300000480405	1	41	-2.0	-126.66	358.36	6.76	-119.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])O1	REAL300000480406	0	31	-2.0	-128.24	293.69	4.72	-123.52
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480407	0	34	-2.0	-129.02	321.31	6.27	-122.75
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1	REAL300000480408	1	34	-2.0	-123.88	315.13	4.57	-119.31
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=C1	REAL300000480409	0	39	-2.0	-145.97	342.73	7.67	-138.30
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1	REAL300000480410	0	37	-2.0	-131.74	338.37	7.93	-123.81
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1	REAL300000480411	0	33	-2.0	-112.90	321.84	6.61	-106.29
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1	REAL300000480412	0	31	-2.0	-118.46	312.25	6.50	-111.96
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C(C)O1	REAL300000480413	0	37	-2.0	-119.52	346.96	5.47	-114.05
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1	REAL300000480414	0	30	-2.0	-118.43	300.84	4.61	-113.82
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])N=C1C	REAL300000480415	0	37	-2.0	-138.90	334.71	5.70	-133.20
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480416	0	34	-2.0	-128.94	323.63	7.14	-121.80
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000480417	0	37	-3.0	-205.01	345.58	6.69	-198.32
CCN1C=C(S(=O)(=O)NC2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000480417	1	38	-2.0	-120.44	345.43	6.68	-113.76
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480418	0	34	-2.0	-126.51	328.98	4.66	-121.85
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480419	0	43	-2.0	-128.44	368.58	6.47	-121.97
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CN1C	REAL300000480420	0	41	-2.0	-130.58	372.13	6.94	-123.64
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)=C1	REAL300000480421	0	39	-2.0	-124.32	348.78	7.85	-116.47
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1	REAL300000480422	0	31	-2.0	-132.07	305.14	6.71	-125.36
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)=C1	REAL300000480423	0	33	-2.0	-127.10	318.99	5.23	-121.87
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480424	0	36	-2.0	-125.17	338.14	6.10	-119.07
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000480425	1	35	-2.0	-124.46	344.30	7.38	-117.08
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])S1	REAL300000480426	0	33	-2.0	-123.84	319.11	4.49	-119.35
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C)=CC(F)=C3C(=O)[O-])C=C12	REAL300000480427	0	38	-2.0	-116.94	350.33	3.62	-113.32
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])S1	REAL300000480428	0	33	-2.0	-121.68	327.22	6.24	-115.44
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CN=C1Cl	REAL300000480430	0	34	-2.0	-117.07	329.94	3.87	-113.20
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(C)=CC(F)=C3C(=O)[O-])=CC=C21	REAL300000480431	1	40	-2.0	-123.93	365.02	6.87	-117.06
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000480432	0	33	-2.0	-116.25	324.60	5.23	-111.02
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480433	0	37	-2.0	-124.51	350.30	6.63	-117.88
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=C1	REAL300000480434	0	34	-2.0	-125.64	335.69	3.01	-122.63
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480435	0	46	-2.0	-127.68	380.63	6.89	-120.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(C)=C1F	REAL300000480436	1	38	-2.0	-124.32	339.18	6.03	-118.29
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=C1	REAL300000480437	0	32	-2.0	-118.72	323.01	6.86	-111.86
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1	REAL300000480438	0	34	-2.0	-138.63	317.03	6.22	-132.41
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480439	0	36	-2.0	-124.12	339.05	4.77	-119.35
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1	REAL300000480440	0	28	-2.0	-122.03	293.48	4.65	-117.38
CC1=NC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300000480441	0	40	-2.0	-138.98	363.42	5.03	-133.95
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)=C1	REAL300000480442	1	39	-2.0	-122.14	348.78	7.87	-114.27
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1	REAL300000480443	0	31	-2.0	-124.17	310.17	6.33	-117.84
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480447	1	43	-2.0	-128.52	381.18	8.27	-120.25
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1	REAL300000480448	0	31	-2.0	-119.45	324.27	7.02	-112.43
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480449	0	31	-2.0	-120.87	318.08	6.13	-114.74
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(OC)=C1	REAL300000480450	0	41	-2.0	-129.23	372.08	6.36	-122.87
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1	REAL300000480451	1	34	-2.0	-129.02	321.28	6.78	-122.24
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1	REAL300000480452	0	34	-2.0	-123.36	333.34	6.98	-116.38
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1	REAL300000480453	0	34	-2.0	-122.58	327.02	4.81	-117.77
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480454	0	35	-2.0	-133.74	325.17	6.98	-126.76
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000480455	0	34	-2.0	-128.81	334.46	3.14	-125.67
COC(=O)C(CS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-])C1=CC=CC=C1	REAL300000480456	1	43	-2.0	-132.47	379.48	8.69	-123.78
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300000480457	0	39	-2.0	-123.24	358.54	7.20	-116.04
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(C)=CS1	REAL300000480458	0	37	-2.0	-138.30	344.31	7.10	-131.20
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CC=C1F	REAL300000480459	1	35	-2.0	-120.31	324.81	5.29	-115.02
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1	REAL300000480460	0	30	-2.0	-134.53	301.79	6.31	-128.22
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=NN2C)=C1	REAL300000480461	0	30	-2.0	-115.33	283.50	2.33	-113.00
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=C1	REAL300000480462	0	36	-2.0	-122.61	333.44	5.04	-117.57
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300000480463	0	30	-2.0	-117.03	310.26	5.67	-111.36
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480465	1	39	-2.0	-128.40	356.27	4.13	-124.27
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300000480466	0	35	-2.0	-133.62	317.22	5.35	-128.27
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=C1	REAL300000480467	0	32	-2.0	-121.10	323.23	6.85	-114.25
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000480468	0	34	-2.0	-122.82	333.05	4.98	-117.84
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480469	1	37	-2.0	-122.21	314.80	7.43	-114.78
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1	REAL300000480471	0	35	-2.0	-143.34	327.47	5.99	-137.35
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480472	0	44	-2.0	-127.42	379.30	7.38	-120.04
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)=C1	REAL300000480473	0	39	-2.0	-146.42	346.98	7.09	-139.33
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)=C1	REAL300000480475	0	35	-2.0	-131.10	340.35	3.20	-127.90
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1	REAL300000480476	0	32	-2.0	-135.50	313.86	4.21	-131.29
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480477	0	34	-2.0	-124.94	313.67	3.39	-121.55
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1OC	REAL300000480478	0	41	-2.0	-124.01	371.16	6.62	-117.39
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2C)OCO3)=C1	REAL300000480480	1	37	-2.0	-123.31	330.59	5.36	-117.95
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480482	0	37	-2.0	-130.18	339.35	7.12	-123.06
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)=C1	REAL300000480483	0	41	-2.0	-128.60	360.66	5.74	-122.86
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=C1	REAL300000480484	0	37	-2.0	-134.22	350.31	7.46	-126.76
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])S1	REAL300000480486	0	34	-2.0	-131.58	334.05	3.40	-128.18
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])S1	REAL300000480486	1	33	-3.0	-199.73	330.75	2.26	-197.47
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1F	REAL300000480487	1	38	-2.0	-127.20	349.98	4.93	-122.27
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000480488	1	35	-2.0	-123.50	334.56	5.56	-117.94
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000480489	0	34	-2.0	-116.24	333.41	6.97	-109.27
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)=C1	REAL300000480490	0	36	-2.0	-126.01	345.89	1.53	-124.48
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=C1	REAL300000480491	1	35	-2.0	-132.11	313.87	7.23	-124.88
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1	REAL300000480493	0	31	-2.0	-120.56	318.95	6.99	-113.57
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(F)C=C2C)=C1	REAL300000480494	1	37	-2.0	-120.70	325.75	7.69	-113.01
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(N)=NO1	REAL300000480495	0	32	-2.0	-118.00	296.63	3.29	-114.71
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480496	0	35	-2.0	-129.83	334.08	6.22	-123.61
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1	REAL300000480497	0	32	-2.0	-122.01	316.59	4.68	-117.33
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)=C1	REAL300000480499	1	42	-2.0	-126.83	370.34	6.70	-120.13
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480500	1	38	-2.0	-129.13	334.06	5.99	-123.14
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000480501	1	38	-2.0	-122.39	349.66	6.56	-115.83
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)S2)=C1	REAL300000480503	0	29	-2.0	-116.94	301.87	5.43	-111.51
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)N=C2)=C1	REAL300000480504	0	33	-2.0	-125.45	305.69	4.74	-120.71
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1	REAL300000480505	0	36	-2.0	-129.37	330.28	6.28	-123.09
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000480506	0	37	-2.0	-127.78	349.34	6.64	-121.14
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1F	REAL300000480507	0	37	-2.0	-121.23	348.40	6.60	-114.63
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480508	0	39	-2.0	-135.08	365.23	7.75	-127.33
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)=C1	REAL300000480509	1	35	-2.0	-118.92	329.45	6.54	-112.38
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1	REAL300000480510	0	30	-2.0	-112.50	306.83	4.60	-107.90
COC(C)CS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480511	1	34	-2.0	-125.00	304.64	3.90	-121.10
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000480512	0	35	-2.0	-131.14	324.08	5.27	-125.87
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000480513	1	37	-2.0	-127.22	350.12	7.71	-119.51
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1	REAL300000480514	1	37	-2.0	-127.72	334.82	6.42	-121.30
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1	REAL300000480515	1	34	-2.0	-126.28	321.28	6.78	-119.50
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000480516	1	41	-2.0	-134.70	363.29	9.33	-125.37
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])N(C)N=C1	REAL300000480518	0	34	-2.0	-121.16	305.96	4.37	-116.79
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480519	0	40	-2.0	-131.73	371.22	7.55	-124.18
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)O2)=C1	REAL300000480521	0	29	-2.0	-118.85	293.36	4.42	-114.43
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC=C2)=C1	REAL300000480522	0	28	-2.0	-123.94	280.19	4.82	-119.12
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480523	0	42	-2.0	-138.25	372.42	5.42	-132.83
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000480524	0	37	-2.0	-105.33	332.14	6.97	-98.36
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000480524	1	36	-3.0	-190.04	333.58	7.02	-183.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=N1	REAL300000480525	0	34	-2.0	-120.98	316.27	2.60	-118.38
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1	REAL300000480526	0	31	-2.0	-127.20	311.32	6.49	-120.71
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480528	0	42	-2.0	-123.46	367.22	7.04	-116.42
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480529	0	40	-2.0	-129.70	366.62	8.69	-121.01
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)=C1	REAL300000480530	0	40	-2.0	-129.04	362.44	8.40	-120.64
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC3=CC=CC=C32)=C1	REAL300000480531	0	34	-2.0	-130.78	325.61	7.28	-123.50
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480532	1	43	-2.0	-133.36	387.92	8.28	-125.08
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CC=C1C	REAL300000480533	1	43	-2.0	-126.20	381.80	8.02	-118.18
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=C1	REAL300000480534	0	42	-2.0	-142.56	366.81	7.13	-135.43
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1	REAL300000480535	0	34	-2.0	-132.62	315.70	4.55	-128.07
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)=C1	REAL300000480536	1	37	-2.0	-118.69	343.65	7.70	-110.99
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480537	1	38	-2.0	-131.34	340.44	6.14	-125.20
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1	REAL300000480538	0	31	-2.0	-128.05	311.43	6.78	-121.27
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480539	0	37	-2.0	-155.36	333.50	3.50	-151.86
CC1=CC=C2C=C(S(=O)(=O)[N-]C3=CC(C)=CC(F)=C3C(=O)[O-])C=CC2=C1	REAL300000480540	1	40	-2.0	-132.66	356.39	8.84	-123.82
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1	REAL300000480541	0	28	-2.0	-123.39	297.07	5.36	-118.03
CC1=CSC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480542	0	31	-2.0	-126.56	302.66	5.57	-120.99
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)C)C=C2)=C1	REAL300000480543	1	44	-2.0	-132.14	385.08	6.27	-125.87
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2Cl)=C1	REAL300000480544	0	28	-2.0	-122.51	287.37	2.72	-119.79
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=C1	REAL300000480545	0	36	-2.0	-136.38	343.62	6.97	-129.41
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1	REAL300000480546	0	30	-2.0	-123.14	295.99	4.03	-119.11
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=C1	REAL300000480547	0	40	-2.0	-122.91	353.62	4.98	-117.93
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=C1	REAL300000480548	0	40	-2.0	-122.08	358.27	4.47	-117.61
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C1	REAL300000480550	1	39	-2.0	-126.42	349.63	6.88	-119.54
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1	REAL300000480551	0	34	-2.0	-125.47	325.27	6.37	-119.10
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1	REAL300000480552	0	34	-2.0	-130.38	341.60	7.91	-122.47
CC1=NSC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480553	0	30	-2.0	-120.01	297.59	4.21	-115.80
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000480555	0	35	-2.0	-119.80	337.92	4.62	-115.18
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1	REAL300000480555	1	35	-2.0	-108.07	331.73	4.92	-103.15
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000480556	0	37	-2.0	-121.88	342.58	7.21	-114.67
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1	REAL300000480557	0	35	-2.0	-156.45	320.25	3.19	-153.26
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1	REAL300000480558	1	38	-2.0	-128.93	338.31	8.02	-120.91
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000480559	0	28	-2.0	-125.05	287.37	4.95	-120.10
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)=CC3=C2)=C1	REAL300000480560	1	40	-2.0	-123.15	360.16	5.66	-117.49
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1	REAL300000480561	0	37	-2.0	-141.32	349.92	4.33	-136.99
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=C1	REAL300000480562	0	34	-2.0	-127.52	327.73	4.76	-122.76
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000480563	0	40	-2.0	-129.01	353.92	7.51	-121.50
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=C1	REAL300000480564	0	32	-2.0	-115.91	315.83	6.34	-109.57
COC(CS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-])C1=CC=CC=C1	REAL300000480565	1	41	-2.0	-124.90	359.71	6.48	-118.42
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C)=C([N+](=O)[O-])C=C2F)=C1	REAL300000480567	0	36	-2.0	-120.42	341.44	7.27	-113.15
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000480568	0	37	-2.0	-97.82	333.77	7.19	-90.63
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000480568	1	36	-3.0	-195.71	337.51	7.30	-188.41
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1	REAL300000480569	0	32	-2.0	-126.98	321.98	5.20	-121.78
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000480570	0	35	-3.0	-220.12	341.30	8.32	-211.80
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)N=S(C)(C)=O)=C1	REAL300000480572	0	31	-2.0	-153.57	294.45	1.85	-151.72
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C(F)C=C1C	REAL300000480573	0	40	-2.0	-127.55	365.36	7.17	-120.38
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1	REAL300000480574	0	31	-2.0	-117.99	321.68	6.10	-111.89
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1	REAL300000480575	0	36	-2.0	-132.82	326.09	2.83	-129.99
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])S1	REAL300000480576	0	34	-2.0	-129.14	319.21	6.54	-122.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CN=C1C	REAL300000480577	0	39	-2.0	-119.91	355.33	5.26	-114.65
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1	REAL300000480578	0	32	-2.0	-115.73	312.47	4.78	-110.95
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)=C1	REAL300000480579	0	33	-2.0	-117.82	316.65	5.28	-112.54
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)=C1	REAL300000480580	1	37	-2.0	-120.44	343.52	7.42	-113.02
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480581	1	40	-2.0	-133.67	366.04	7.35	-126.32
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1	REAL300000480582	1	33	-2.0	-116.75	328.84	5.78	-110.97
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=NN1C	REAL300000480586	0	34	-2.0	-123.50	309.76	4.15	-119.35
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480587	1	35	-2.0	-129.35	320.17	7.00	-122.35
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480588	1	44	-2.0	-141.68	383.05	6.77	-134.91
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480589	0	34	-2.0	-125.81	312.48	4.27	-121.54
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480590	1	38	-2.0	-125.12	360.89	6.14	-118.98
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=C1	REAL300000480591	0	31	-2.0	-116.59	304.44	4.57	-112.02
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=C1	REAL300000480593	1	36	-2.0	-124.79	335.54	3.11	-121.68
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1	REAL300000480595	0	31	-2.0	-123.82	304.74	3.44	-120.38
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1	REAL300000480596	0	37	-2.0	-124.07	335.39	5.83	-118.24
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1	REAL300000480598	0	39	-2.0	-117.96	360.24	4.48	-113.48
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000480599	1	38	-2.0	-134.58	345.08	5.66	-128.92
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CC=C1Cl	REAL300000480600	1	35	-2.0	-121.31	334.62	5.77	-115.54
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)=C1	REAL300000480601	0	35	-2.0	-135.67	340.67	2.55	-133.12
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000480602	0	33	-3.0	-216.52	321.19	6.50	-210.02
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1	REAL300000480603	0	28	-2.0	-131.01	288.45	3.91	-127.10
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1	REAL300000480604	0	33	-2.0	-139.69	320.29	5.33	-134.36
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1	REAL300000480605	1	36	-2.0	-131.47	324.90	5.75	-125.72
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1	REAL300000480607	0	37	-2.0	-139.28	339.61	8.22	-131.06
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300000480608	0	34	-2.0	-133.11	329.24	4.99	-128.12
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)=C1	REAL300000480609	0	34	-2.0	-128.68	316.22	7.41	-121.27
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000480610	0	35	-2.0	-124.02	333.51	6.03	-117.99
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1	REAL300000480611	0	36	-2.0	-139.75	325.40	5.74	-134.01
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1F	REAL300000480612	0	40	-2.0	-129.09	371.51	7.40	-121.69
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300000480613	0	40	-2.0	-132.30	360.18	8.90	-123.40
CCC(CS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-])OC	REAL300000480614	1	37	-2.0	-124.83	321.42	4.57	-120.26
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480615	1	44	-2.0	-126.25	377.78	7.35	-118.90
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480616	1	43	-2.0	-126.40	360.59	5.82	-120.58
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000480619	0	34	-2.0	-135.43	319.01	6.87	-128.56
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1	REAL300000480620	0	30	-2.0	-118.67	314.13	5.11	-113.56
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)=C1	REAL300000480621	0	31	-2.0	-119.37	312.68	4.07	-115.30
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=C1	REAL300000480622	0	36	-2.0	-127.11	332.94	4.37	-122.74
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)N=S(C)(=O)C2=CC=CC=C2)=C1	REAL300000480623	0	38	-2.0	-153.59	351.27	4.63	-148.96
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000480624	0	37	-2.0	-111.49	336.82	6.97	-104.52
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000480624	1	36	-3.0	-196.88	338.72	7.04	-189.84
COC(CS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-])C1CC1	REAL300000480625	1	38	-2.0	-125.24	330.69	5.31	-119.93
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480626	0	35	-2.0	-129.85	323.75	5.76	-124.09
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=C1	REAL300000480627	1	34	-2.0	-116.80	328.69	5.01	-111.79
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000480628	0	39	-2.0	-125.82	351.51	7.76	-118.06
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480629	0	47	-2.0	-137.39	393.52	8.02	-129.37
COC(CS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-])C1CCOCC1	REAL300000480630	1	45	-2.0	-122.44	370.29	4.40	-118.04
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1Cl	REAL300000480631	0	34	-2.0	-117.61	332.35	3.15	-114.46
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480632	0	30	-2.0	-117.35	286.05	3.86	-113.49
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000480633	0	35	-2.0	-123.33	339.17	4.07	-119.26
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)=C1	REAL300000480634	1	34	-2.0	-122.61	324.56	7.02	-115.59
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1	REAL300000480635	1	37	-2.0	-138.03	337.19	6.90	-131.13
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480636	0	40	-2.0	-133.80	369.65	7.26	-126.54
CC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300000480637	0	33	-2.0	-135.06	323.68	7.11	-127.95
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)N=S(C)(=O)N(C)C)=C1	REAL300000480638	0	36	-2.0	-147.38	328.32	1.74	-145.64
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1	REAL300000480639	1	34	-2.0	-121.10	331.09	4.10	-117.00
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000480640	0	30	-2.0	-131.64	289.60	4.09	-127.55
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1	REAL300000480643	0	30	-2.0	-116.65	290.50	4.07	-112.58
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)SC=C2)=C1	REAL300000480645	0	29	-2.0	-130.93	299.51	5.30	-125.63
COC(CS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-])C(C)C	REAL300000480647	1	40	-2.0	-125.29	338.97	4.89	-120.40
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1	REAL300000480648	1	31	-2.0	-118.02	311.68	6.48	-111.54
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1	REAL300000480649	0	40	-2.0	-138.45	350.79	6.26	-132.19
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=C1	REAL300000480650	1	38	-2.0	-131.91	354.21	3.77	-128.14
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1	REAL300000480651	0	39	-2.0	-138.46	341.28	7.13	-131.33
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480652	0	41	-2.0	-129.26	362.03	4.81	-124.45
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(F)=C1	REAL300000480653	0	40	-2.0	-127.07	371.21	7.56	-119.51
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480659	1	38	-2.0	-139.34	345.02	3.35	-135.99
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)=C1	REAL300000480660	0	34	-2.0	-132.28	317.50	2.61	-129.67
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)CC2(OC(C)C)CCOC2)=C1	REAL300000480661	1	45	-2.0	-125.91	364.96	4.96	-120.95
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C	REAL300000480662	1	42	-2.0	-132.24	373.83	5.00	-127.24
COC(CS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300000480663	1	41	-2.0	-128.43	358.96	7.26	-121.17
CCOC(CS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-])C1CC1	REAL300000480664	1	41	-2.0	-126.33	352.51	6.26	-120.07
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])N1C	REAL300000480665	0	34	-2.0	-125.70	308.24	4.96	-120.74
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480666	1	44	-2.0	-132.06	379.13	7.57	-124.49
COC(CS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-])C1CCCC1	REAL300000480667	1	44	-2.0	-123.92	362.76	6.25	-117.67
COC(CS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-])C1CCCCC1	REAL300000480668	1	47	-2.0	-124.72	379.36	6.79	-117.93
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2[N+](=O)[O-])=C1	REAL300000480669	0	36	-2.0	-132.24	334.34	8.01	-124.23
CCC1=NC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=CN1CC1CC1	REAL300000480670	0	44	-2.0	-143.02	387.96	7.85	-135.17
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])O1	REAL300000480671	0	37	-2.0	-123.48	346.54	5.29	-118.19
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC(C)=CC(F)=C3C(=O)[O-])C=C2C1	REAL300000480672	1	42	-2.0	-133.78	372.53	6.39	-127.39
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300000480673	0	34	-2.0	-125.25	328.84	5.40	-119.85
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)=C1	REAL300000480674	1	39	-2.0	-124.93	352.76	8.25	-116.68
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=C1	REAL300000480675	0	34	-2.0	-113.70	329.69	4.59	-109.11
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1	REAL300000480676	0	30	-2.0	-124.07	306.45	4.52	-119.55
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000480677	1	41	-2.0	-142.10	355.19	9.32	-132.78
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)=C1	REAL300000480679	0	34	-2.0	-132.52	321.17	6.69	-125.83
CCC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C(C)C=C1OC	REAL300000480680	1	44	-2.0	-127.15	375.33	7.48	-119.67
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1	REAL300000480681	0	33	-2.0	-139.89	316.19	4.89	-135.00
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(C)=N1	REAL300000480682	0	43	-2.0	-125.57	377.01	6.68	-118.89
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480683	1	44	-2.0	-124.03	384.19	7.42	-116.61
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000480684	0	32	-3.0	-203.70	313.77	4.59	-199.11
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480685	0	35	-2.0	-122.13	317.97	5.88	-116.25
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C(C)C	REAL300000480686	1	47	-2.0	-128.96	399.05	8.16	-120.80
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=C1	REAL300000480687	1	43	-2.0	-125.75	367.31	8.17	-117.58
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=C1	REAL300000480688	0	32	-2.0	-116.98	316.37	6.37	-110.61
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=C1	REAL300000480689	0	34	-2.0	-120.90	322.24	4.54	-116.36
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1	REAL300000480690	0	33	-2.0	-126.75	312.37	4.96	-121.79
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1	REAL300000480690	1	33	-2.0	-139.68	312.26	5.10	-134.58
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC3=CC=CC=C32)=C1	REAL300000480691	0	35	-2.0	-137.39	322.83	5.88	-131.51
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=C1	REAL300000480692	0	41	-2.0	-126.44	350.09	6.03	-120.41
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=C1	REAL300000480693	0	43	-2.0	-123.07	354.46	6.44	-116.63
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1	REAL300000480695	0	41	-2.0	-126.58	356.50	6.25	-120.33
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)=C1	REAL300000480696	0	34	-2.0	-118.46	323.38	4.81	-113.65
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2Br)=C1	REAL300000480697	0	31	-2.0	-124.80	314.29	4.11	-120.69
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)N=S(C)(=O)C2CCCCC2)=C1	REAL300000480700	0	44	-2.0	-154.84	376.72	5.32	-149.52
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1	REAL300000480701	0	32	-2.0	-120.91	305.28	3.67	-117.24
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300000480701	1	32	-2.0	-109.58	299.06	3.99	-105.59
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480702	1	41	-2.0	-128.01	366.30	8.69	-119.32
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480703	0	37	-2.0	-122.75	328.23	4.97	-117.78
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1F	REAL300000480704	0	36	-2.0	-126.74	334.88	6.40	-120.34
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C1	REAL300000480705	0	31	-2.0	-119.64	294.31	3.27	-116.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(C#N)=C1	REAL300000480706	0	35	-2.0	-134.97	328.59	6.86	-128.11
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)=C1	REAL300000480707	0	35	-2.0	-133.47	320.83	7.15	-126.32
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000480708	1	34	-2.0	-121.72	325.78	6.81	-114.91
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1CC	REAL300000480710	1	47	-2.0	-127.65	403.63	8.43	-119.22
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=C1	REAL300000480711	1	38	-2.0	-130.89	352.84	7.87	-123.02
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)=C1	REAL300000480712	1	37	-2.0	-121.80	336.08	8.12	-113.68
COC1=NSC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480713	0	31	-2.0	-117.19	308.34	1.71	-115.48
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)CC2CCCC(C)(C)O2)=C1	REAL300000480714	1	44	-2.0	-129.26	361.13	6.14	-123.12
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000480715	0	27	-2.0	-119.46	275.83	3.61	-115.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480718	0	37	-3.0	-194.41	345.76	6.26	-188.15
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480718	1	38	-2.0	-99.74	343.13	5.78	-93.96
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000480719	0	35	-2.0	-122.89	328.60	1.52	-121.37
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480720	1	40	-2.0	-121.81	336.40	8.20	-113.61
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1	REAL300000480721	0	31	-2.0	-121.94	309.33	5.83	-116.11
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000480723	0	30	-3.0	-187.34	317.66	5.45	-181.89
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1	REAL300000480724	0	36	-2.0	-138.83	325.34	6.42	-132.41
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480725	0	38	-2.0	-129.30	350.50	6.10	-123.20
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C1	REAL300000480726	0	32	-2.0	-131.02	314.95	6.33	-124.69
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=N2)=C1	REAL300000480727	0	30	-2.0	-129.40	287.89	2.23	-127.17
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480728	0	34	-2.0	-118.30	343.66	5.19	-113.11
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1	REAL300000480729	0	38	-2.0	-126.15	338.99	5.58	-120.57
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1	REAL300000480730	0	38	-2.0	-123.86	336.38	5.80	-118.06
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1	REAL300000480731	0	41	-2.0	-124.28	358.50	6.52	-117.76
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300000480732	0	32	-2.0	-107.04	325.40	4.96	-102.08
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300000480732	1	31	-3.0	-220.66	328.06	5.52	-215.14
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=C1	REAL300000480733	0	42	-2.0	-133.39	364.14	3.91	-129.48
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000480734	0	37	-2.0	-128.23	355.93	6.82	-121.41
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000480735	1	37	-2.0	-125.27	339.81	3.15	-122.12
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1	REAL300000480736	0	28	-2.0	-126.02	293.20	4.51	-121.51
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1F	REAL300000480737	1	35	-2.0	-117.22	334.97	5.46	-111.76
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1	REAL300000480738	0	38	-2.0	-129.19	332.01	5.98	-123.21
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1F	REAL300000480739	0	35	-2.0	-124.69	330.27	5.35	-119.34
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C	REAL300000480740	1	47	-2.0	-128.51	392.00	7.93	-120.58
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)=C1	REAL300000480741	0	41	-2.0	-132.38	363.53	7.31	-125.07
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480742	0	34	-2.0	-124.04	311.99	6.61	-117.43
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=C1	REAL300000480743	0	39	-2.0	-140.78	346.56	6.50	-134.28
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=C1	REAL300000480744	0	39	-2.0	-125.62	357.76	5.58	-120.04
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=C1	REAL300000480745	1	39	-2.0	-128.65	357.30	8.13	-120.52
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480746	0	35	-2.0	-131.87	325.55	6.58	-125.29
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC=C2Cl)=C1	REAL300000480747	0	28	-2.0	-123.94	294.52	5.35	-118.59
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Br)=NN2C)=C1	REAL300000480748	0	31	-2.0	-115.72	310.03	4.09	-111.63
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1	REAL300000480749	0	33	-2.0	-117.21	322.98	5.08	-112.13
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480750	0	36	-2.0	-144.09	330.82	5.50	-138.59
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480751	0	33	-2.0	-115.17	304.32	3.24	-111.93
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1	REAL300000480753	0	32	-2.0	-115.90	303.97	4.69	-111.21
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1	REAL300000480754	0	34	-2.0	-131.44	327.93	7.35	-124.09
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1	REAL300000480755	0	34	-2.0	-142.33	334.00	5.61	-136.72
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=C1	REAL300000480756	0	38	-2.0	-122.61	341.04	5.64	-116.97
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)=C1	REAL300000480757	1	40	-2.0	-125.91	344.84	8.26	-117.65
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1OC	REAL300000480758	0	39	-2.0	-127.89	340.96	5.66	-122.23
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000480759	1	40	-2.0	-130.72	357.41	3.13	-127.59
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=COC3=CC=CC=C32)=C1	REAL300000480760	0	34	-2.0	-131.78	318.86	6.19	-125.59
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1OC	REAL300000480761	0	39	-2.0	-137.98	348.58	6.24	-131.74
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)=C1	REAL300000480762	0	44	-2.0	-131.58	377.84	6.82	-124.76
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)=C1	REAL300000480763	0	35	-2.0	-131.98	339.94	7.85	-124.13
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=C1	REAL300000480764	0	38	-2.0	-128.37	344.39	5.84	-122.53
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1	REAL300000480765	1	35	-2.0	-127.71	328.33	5.49	-122.22
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1	REAL300000480766	0	34	-2.0	-136.66	318.53	5.11	-131.55
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=C1	REAL300000480767	0	36	-2.0	-148.28	333.64	4.32	-143.96
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=C1	REAL300000480768	0	38	-2.0	-128.26	329.76	7.88	-120.38
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)=C1	REAL300000480769	1	35	-2.0	-127.68	317.10	3.62	-124.06
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480770	0	31	-2.0	-125.14	306.38	1.78	-123.36
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])N=CN1	REAL300000480771	0	31	-2.0	-135.45	288.21	4.01	-131.44
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1	REAL300000480773	0	34	-2.0	-125.63	322.77	6.29	-119.34
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=C1	REAL300000480774	0	41	-2.0	-130.26	360.63	6.32	-123.94
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)=C1	REAL300000480775	1	49	-2.0	-131.26	402.63	9.81	-121.45
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1	REAL300000480776	0	28	-2.0	-123.31	294.93	5.45	-117.86
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1	REAL300000480777	0	41	-2.0	-126.98	363.07	6.56	-120.42
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1	REAL300000480778	0	35	-2.0	-132.20	327.22	7.03	-125.17
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)=C1	REAL300000480779	1	44	-2.0	-137.12	378.91	4.32	-132.80
COC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300000480780	0	40	-2.0	-154.95	354.51	7.11	-147.84
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480781	1	40	-2.0	-130.44	353.48	8.12	-122.32
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480782	0	37	-2.0	-119.44	344.38	4.31	-115.13
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=C1	REAL300000480783	0	32	-2.0	-128.84	313.59	6.27	-122.57
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=C1	REAL300000480784	0	38	-2.0	-126.74	334.81	5.44	-121.30
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000480785	0	35	-2.0	-112.90	345.54	7.25	-105.65
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC=C2C)=C1	REAL300000480787	1	37	-2.0	-128.54	319.22	7.59	-120.95
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=C1	REAL300000480788	0	40	-2.0	-120.14	336.13	5.81	-114.33
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=C1	REAL300000480789	0	40	-2.0	-126.57	353.59	5.63	-120.94
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1	REAL300000480790	0	38	-2.0	-126.59	337.67	5.01	-121.58
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)=C1	REAL300000480791	0	36	-2.0	-117.28	340.01	5.73	-111.55
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=C1	REAL300000480792	0	42	-2.0	-126.09	363.36	6.73	-119.36
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=C1	REAL300000480793	0	33	-2.0	-109.57	328.11	6.66	-102.91
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=C1	REAL300000480794	0	34	-2.0	-117.43	334.56	6.99	-110.44
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1	REAL300000480795	1	34	-2.0	-126.95	317.08	6.73	-120.22
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1	REAL300000480796	0	31	-2.0	-124.70	310.67	6.28	-118.42
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1	REAL300000480797	0	31	-2.0	-118.15	320.84	6.02	-112.13
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480798	0	34	-2.0	-121.18	310.26	4.19	-116.99
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C)=C2C)=C1	REAL300000480800	1	37	-2.0	-128.87	321.59	7.22	-121.65
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1	REAL300000480801	0	34	-2.0	-126.68	316.88	6.93	-119.75
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480802	1	42	-2.0	-138.42	373.67	7.94	-130.48
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)=C1	REAL300000480804	1	41	-2.0	-131.33	369.33	7.60	-123.73
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)=C1	REAL300000480805	1	37	-2.0	-122.64	351.55	6.95	-115.69
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480806	1	40	-2.0	-128.42	367.52	7.57	-120.85
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=C1	REAL300000480807	0	32	-2.0	-126.01	321.72	6.76	-119.25
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1	REAL300000480808	0	31	-2.0	-125.70	308.68	6.14	-119.56
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1	REAL300000480809	1	38	-2.0	-130.83	338.31	8.02	-122.81
COC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=CS1	REAL300000480810	0	32	-2.0	-130.99	311.36	4.35	-126.64
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=C1	REAL300000480811	0	34	-2.0	-123.32	320.20	7.34	-115.98
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480812	0	37	-2.0	-122.81	354.07	6.23	-116.58
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1	REAL300000480813	0	38	-2.0	-133.13	343.81	8.08	-125.05
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1	REAL300000480814	0	41	-2.0	-124.65	353.91	6.52	-118.13
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480815	0	40	-2.0	-123.10	349.03	5.80	-117.30
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480816	1	40	-2.0	-133.37	360.30	3.43	-129.94
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)=C1	REAL300000480818	0	34	-2.0	-136.48	343.03	2.41	-134.07
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=C1	REAL300000480819	0	36	-2.0	-139.32	332.70	4.27	-135.05
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])O1	REAL300000480820	0	34	-2.0	-128.30	315.18	5.51	-122.79
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1	REAL300000480821	0	31	-2.0	-120.11	312.95	5.13	-114.98
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480822	0	35	-2.0	-121.57	330.04	5.83	-115.74
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)=C1	REAL300000480823	0	45	-2.0	-127.87	387.43	5.05	-122.82
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=C1	REAL300000480824	1	37	-2.0	-129.14	342.30	7.44	-121.70
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300000480825	1	35	-2.0	-127.89	328.35	5.49	-122.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])S1	REAL300000480827	0	32	-2.0	-124.35	312.89	4.36	-119.99
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)=C1	REAL300000480828	0	42	-2.0	-147.03	360.54	8.20	-138.83
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300000480830	0	34	-2.0	-121.44	321.77	4.61	-116.83
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480831	1	41	-2.0	-130.42	366.01	6.60	-123.82
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)=C1	REAL300000480832	0	34	-2.0	-122.25	340.77	5.37	-116.88
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)=C1	REAL300000480833	0	41	-2.0	-125.21	368.77	7.10	-118.11
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1	REAL300000480834	0	44	-2.0	-126.15	375.48	6.86	-119.29
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1	REAL300000480835	0	34	-2.0	-127.60	309.66	6.88	-120.72
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480836	1	43	-2.0	-131.29	377.80	8.83	-122.46
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C3C=CC=CN32)=C1	REAL300000480837	0	34	-2.0	-132.32	314.59	6.31	-126.01
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1	REAL300000480838	1	33	-2.0	-130.21	320.05	5.29	-124.92
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=N1	REAL300000480839	0	33	-2.0	-125.55	309.80	2.78	-122.77
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1Cl	REAL300000480840	0	34	-2.0	-121.00	330.75	4.84	-116.16
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=C1	REAL300000480841	0	33	-2.0	-122.68	330.11	5.19	-117.49
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1	REAL300000480842	0	28	-2.0	-121.59	288.84	4.52	-117.07
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=C1	REAL300000480843	0	36	-2.0	-137.62	342.29	6.87	-130.75
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)=C1	REAL300000480844	1	40	-2.0	-139.09	347.87	8.75	-130.34
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=C1	REAL300000480845	1	38	-2.0	-127.43	347.02	6.28	-121.15
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1	REAL300000480846	0	31	-2.0	-122.81	316.61	6.52	-116.29
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])O1	REAL300000480847	0	37	-2.0	-141.98	352.72	2.20	-139.78
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)=C1	REAL300000480848	0	41	-2.0	-132.03	364.79	7.26	-124.77
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1	REAL300000480850	0	35	-2.0	-128.81	332.92	7.23	-121.58
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)=C1	REAL300000480851	0	34	-2.0	-113.00	337.77	6.33	-106.67
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Br)C=NS2)=C1	REAL300000480853	0	27	-2.0	-115.84	293.02	4.34	-111.50
CC1=COC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480854	0	31	-2.0	-127.33	293.68	4.58	-122.75
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1	REAL300000480855	1	41	-2.0	-127.25	375.76	7.81	-119.44
COC1=CSC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1OC	REAL300000480856	0	36	-2.0	-125.66	342.05	3.93	-121.73
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1	REAL300000480857	0	32	-2.0	-91.05	322.88	4.51	-86.54
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1	REAL300000480857	1	31	-3.0	-189.11	325.67	4.95	-184.16
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1	REAL300000480858	0	30	-2.0	-111.88	306.72	4.55	-107.33
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=C1	REAL300000480859	1	35	-2.0	-126.40	334.59	5.56	-120.84
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=C1	REAL300000480860	0	37	-2.0	-127.34	332.49	5.92	-121.42
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=C1	REAL300000480861	1	38	-2.0	-136.76	342.81	7.67	-129.09
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=C1	REAL300000480862	0	34	-2.0	-128.94	319.78	7.31	-121.63
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1	REAL300000480863	0	28	-2.0	-115.71	314.17	6.01	-109.70
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=C1	REAL300000480864	0	31	-2.0	-120.39	308.97	3.98	-116.41
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000480865	0	36	-2.0	-125.32	341.77	6.59	-118.73
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=C1	REAL300000480866	0	37	-2.0	-137.98	325.74	7.71	-130.27
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C1	REAL300000480867	0	29	-2.0	-124.58	293.25	4.35	-120.23
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)=C1	REAL300000480868	0	33	-2.0	-116.04	316.84	5.30	-110.74
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480869	1	42	-2.0	-132.01	372.76	7.54	-124.47
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(C2CC2)=N1	REAL300000480870	0	41	-2.0	-128.89	365.90	6.71	-122.18
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)=C1	REAL300000480871	0	35	-2.0	-132.18	327.33	5.27	-126.91
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=C1	REAL300000480872	1	37	-2.0	-126.57	351.74	8.69	-117.88
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C)NC(=O)NC2=O)=C1	REAL300000480873	0	34	-2.0	-131.78	312.16	1.65	-130.13
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480875	0	44	-2.0	-125.41	376.99	7.06	-118.35
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300000480876	0	28	-2.0	-122.82	287.86	4.41	-118.41
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1	REAL300000480877	0	28	-2.0	-120.94	297.90	5.42	-115.52
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480878	0	45	-2.0	-135.62	393.92	6.20	-129.42
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300000480879	0	37	-2.0	-132.12	347.94	8.75	-123.37
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=C1	REAL300000480880	0	39	-2.0	-124.58	341.37	3.66	-120.92
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1	REAL300000480881	1	38	-2.0	-130.67	332.65	8.08	-122.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(C)=N1	REAL300000480885	0	37	-2.0	-120.64	331.94	3.36	-117.28
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480886	0	37	-2.0	-132.83	336.50	3.73	-129.10
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480887	0	34	-2.0	-125.29	331.81	3.59	-121.70
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C	REAL300000480888	0	37	-2.0	-122.51	336.40	3.33	-119.18
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=C1	REAL300000480889	0	40	-2.0	-124.66	352.05	6.05	-118.61
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C)=CC(F)=C1C(=O)[O-]	REAL300000480890	0	40	-2.0	-126.85	352.67	5.65	-121.20
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1	REAL300000480891	0	30	-2.0	-123.44	316.43	3.90	-119.54
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C1	REAL300000480892	0	29	-2.0	-127.54	292.07	4.32	-123.22
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C1	REAL300000480893	0	29	-2.0	-122.57	301.15	5.25	-117.32
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C(C)C)=C1	REAL300000480894	0	37	-2.0	-122.52	330.80	5.18	-117.34
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C1C	REAL300000480895	0	39	-2.0	-119.83	355.87	5.28	-114.55
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000480896	0	41	-2.0	-111.64	361.97	8.29	-103.35
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000480896	1	40	-3.0	-194.50	363.68	8.36	-186.14
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])=C1	REAL300000480897	0	34	-2.0	-136.24	338.34	6.66	-129.58
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1	REAL300000480898	0	38	-2.0	-121.76	341.31	6.04	-115.72
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300000480899	0	38	-2.0	-129.77	342.81	7.06	-122.71
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480900	0	34	-2.0	-118.31	320.15	2.26	-116.05
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=NN1C(C)C	REAL300000480901	0	40	-2.0	-124.94	353.58	5.65	-119.29
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000480902	1	38	-2.0	-130.06	348.95	8.11	-121.95
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1	REAL300000480903	0	33	-2.0	-123.60	316.44	4.94	-118.66
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=C1	REAL300000480904	0	31	-2.0	-126.46	327.74	2.10	-124.36
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000480906	1	38	-2.0	-131.56	350.60	8.15	-123.41
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1	REAL300000480907	0	35	-2.0	-130.93	339.55	6.38	-124.55
CC1=CC(F)=C(C(=O)[O-])C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000480908	0	41	-2.0	-102.77	361.31	8.30	-94.47
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000480908	1	40	-3.0	-209.87	361.64	8.34	-201.53
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300000480909	1	32	-2.0	-129.38	300.11	3.06	-126.32
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1	REAL300000480910	0	34	-2.0	-137.01	328.76	6.91	-130.10
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000480911	0	27	-2.0	-117.22	274.74	3.52	-113.70
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000480912	0	35	-2.0	-141.47	336.98	5.17	-136.30
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1	REAL300000480913	1	38	-2.0	-136.93	344.92	8.21	-128.72
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2Cl)=C1	REAL300000480914	0	34	-2.0	-126.62	336.15	7.52	-119.10
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=C1	REAL300000480915	0	38	-2.0	-129.15	356.99	6.97	-122.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C(C(F)F)=C1	REAL300000480916	0	38	-2.0	-131.65	338.26	6.47	-125.18
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)=C1	REAL300000480917	0	39	-2.0	-146.70	346.80	7.07	-139.63
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000480918	0	36	-3.0	-189.59	335.81	6.36	-183.23
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480919	0	44	-2.0	-138.72	378.54	7.91	-130.81
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])C=C(Cl)S1	REAL300000480920	0	31	-2.0	-118.18	315.64	6.30	-111.88
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000480921	0	27	-2.0	-122.20	275.68	3.03	-119.17
CC1=CC(F)=C(C(=O)[O-])C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1	REAL300000480922	0	38	-2.0	-127.02	334.82	5.23	-121.79
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C)=CC(F)=C2C(=O)[O-])=C1	REAL300000480923	0	34	-2.0	-134.14	316.00	6.64	-127.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)=C1	REAL300000480926	1	41	-2.0	-102.85	359.71	4.14	-98.71
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)=C1	REAL300000480928	0	41	-2.0	-99.83	365.19	4.20	-95.63
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)=C1	REAL300000480929	0	38	-2.0	-97.34	352.90	3.15	-94.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(N2CCOCC2)=C1	REAL300000480930	1	44	-2.0	-103.64	375.14	4.92	-98.72
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)C=C1C(=O)[O-]	REAL300000480931	1	42	-2.0	-101.45	366.36	3.49	-97.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)=CS1	REAL300000480932	0	38	-2.0	-98.78	351.36	3.17	-95.61
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)C=C(C(=O)[O-])O1	REAL300000480933	0	41	-2.0	-97.04	362.72	3.27	-93.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)C=C1F	REAL300000480934	1	41	-2.0	-90.54	364.23	4.18	-86.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)S1	REAL300000480935	0	38	-2.0	-92.39	351.98	3.27	-89.12
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)=C1	REAL300000480936	1	41	-2.0	-93.96	366.12	4.20	-89.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)C(F)=C1	REAL300000480937	0	41	-2.0	-90.19	365.17	4.21	-85.98
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)=C1	REAL300000480938	0	42	-2.0	-102.46	369.43	1.85	-100.61
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(F)C(N3CCOCC3)=C2)=C1	REAL300000480938	1	42	-2.0	-101.16	358.43	2.73	-98.43
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)C=C1	REAL300000480939	1	44	-2.0	-94.15	381.90	4.91	-89.24
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)C=C1C(=O)[O-]	REAL300000480942	1	45	-2.0	-102.68	387.73	4.35	-98.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)=C1F	REAL300000480944	0	41	-2.0	-107.18	363.37	4.17	-103.01
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)=C1	REAL300000480945	0	40	-2.0	-99.77	356.70	2.19	-97.58
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(N3CCOCC3)=C2)C=C(C(=O)[O-])O1	REAL300000480946	0	44	-2.0	-96.88	381.84	4.12	-92.76
CC(C)N1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000480947	1	42	-2.0	-97.16	374.81	5.92	-91.24
CC(C)N1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000480948	1	42	-2.0	-108.56	374.47	5.90	-102.66
CC(C)N1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000480949	0	39	-2.0	-103.97	367.61	4.92	-99.05
CC(C)N1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000480950	0	43	-2.0	-108.04	381.07	5.26	-102.78
CC(C)N1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000480951	0	39	-2.0	-105.36	366.12	4.94	-100.42
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=NN3C(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000480952	0	42	-2.0	-102.44	377.46	5.04	-97.40
CC(C)N1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000480953	0	39	-2.0	-98.90	367.13	5.05	-93.85
CC(C)N1N=NN=C1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000480954	0	41	-2.0	-105.01	371.40	3.96	-101.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=CC=C1F	REAL300000480955	1	44	-2.0	-106.86	372.05	8.82	-98.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1	REAL300000480957	1	44	-2.0	-109.63	367.51	8.79	-100.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCCCC2)=C1	REAL300000480958	0	48	-2.0	-115.09	395.66	8.59	-106.50
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)C=C1	REAL300000480959	1	48	-2.0	-96.15	398.97	10.09	-86.06
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1	REAL300000480961	0	44	-2.0	-104.92	380.58	9.37	-95.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=CC=C1Cl	REAL300000480962	1	44	-2.0	-105.32	380.03	9.18	-96.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1C	REAL300000480963	1	50	-2.0	-112.44	400.19	10.14	-102.30
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1	REAL300000480964	0	44	-2.0	-106.74	372.99	8.86	-97.88
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)C=C1	REAL300000480965	1	50	-2.0	-95.44	411.08	10.38	-85.06
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1	REAL300000480966	0	41	-2.0	-103.66	360.70	7.81	-95.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCCCC2)=C1	REAL300000480967	1	47	-2.0	-110.28	382.93	9.58	-100.70
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)C=C1C(=O)[O-]	REAL300000480969	1	45	-2.0	-107.96	374.15	8.15	-99.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1	REAL300000480971	0	44	-2.0	-99.68	376.62	8.47	-91.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=CS1	REAL300000480973	0	41	-2.0	-105.08	359.16	7.83	-97.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCCCC2)=C1	REAL300000480975	1	50	-2.0	-108.45	397.65	10.51	-97.94
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1	REAL300000480976	1	51	-2.0	-114.70	411.76	10.69	-104.01
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)C=C(C(=O)[O-])O1	REAL300000480977	0	44	-2.0	-103.02	370.52	7.93	-95.09
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1	REAL300000480978	0	48	-2.0	-110.75	396.50	7.88	-102.87
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCCCC2)=C1	REAL300000480979	1	47	-2.0	-100.53	388.21	9.61	-90.92
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)C=C(C(=O)[O-])S1	REAL300000480980	1	44	-2.0	-106.39	377.19	8.68	-97.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)C(Cl)=C1	REAL300000480981	0	44	-2.0	-94.16	380.56	9.35	-84.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)C=C1F	REAL300000480982	1	44	-2.0	-96.03	372.03	8.83	-87.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)S1	REAL300000480983	0	41	-2.0	-98.37	359.78	7.91	-90.46
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1	REAL300000480984	1	44	-2.0	-100.25	373.91	8.86	-91.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1F	REAL300000480985	0	47	-2.0	-108.22	393.26	9.49	-98.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)C(F)=C1	REAL300000480986	0	44	-2.0	-96.22	372.97	8.86	-87.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)C=C1Cl	REAL300000480987	1	44	-2.0	-94.19	380.01	9.20	-84.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=CC(F)=C1F	REAL300000480988	1	44	-2.0	-98.14	378.33	8.89	-89.25
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1	REAL300000480989	0	45	-2.0	-108.95	377.21	6.50	-102.45
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3CCCCC3)=C2)=C1	REAL300000480989	1	45	-2.0	-106.50	376.31	7.38	-99.12
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)C=C1	REAL300000480990	1	47	-2.0	-100.27	389.68	9.58	-90.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2CCCCC2)=C1	REAL300000480991	1	47	-2.0	-105.96	377.58	9.43	-96.53
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=CC(C(=O)[O-])=C1F	REAL300000480992	1	47	-2.0	-108.21	392.34	9.44	-98.77
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1	REAL300000480995	0	44	-2.0	-98.20	379.27	8.92	-89.28
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)C=C1C(=O)[O-]	REAL300000480997	0	47	-2.0	-109.12	392.82	9.48	-99.64
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1	REAL300000480998	0	47	-2.0	-114.92	392.54	9.48	-105.44
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)C=C1C(=O)[O-]	REAL300000481000	1	48	-2.0	-109.25	395.52	9.01	-100.24
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1F	REAL300000481003	0	44	-2.0	-114.11	371.16	8.83	-105.28
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)C=C1C(=O)[O-]	REAL300000481004	1	47	-2.0	-102.10	392.45	9.47	-92.63
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C1	REAL300000481005	0	43	-2.0	-106.43	364.50	6.85	-99.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2CCCCC2)=C1	REAL300000481006	0	48	-2.0	-101.14	395.71	8.59	-92.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)=C(Cl)O1	REAL300000481007	0	41	-2.0	-96.78	367.65	7.77	-89.01
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4CCCCC4)=C3)C=C2)CC1	REAL300000481008	1	51	-2.0	-103.23	413.63	10.68	-92.55
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4CCCCC4)=C3)C=C2C1	REAL300000481009	1	51	-2.0	-107.55	412.95	10.68	-96.87
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCCC3)=C2)C=C(C(=O)[O-])O1	REAL300000481010	0	47	-2.0	-102.77	389.64	8.78	-93.99
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000481011	0	40	-2.0	-110.69	368.84	4.73	-105.96
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000481012	0	40	-2.0	-101.57	364.30	4.70	-96.87
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000481013	0	40	-2.0	-113.25	364.31	4.69	-108.56
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000481014	0	44	-2.0	-118.75	392.48	4.51	-114.24
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000481015	0	44	-2.0	-101.18	395.75	6.00	-95.18
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000481016	0	43	-2.0	-115.76	384.39	5.34	-110.42
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=N1	REAL300000481017	0	46	-2.0	-115.71	396.74	6.01	-109.70
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000481018	0	40	-2.0	-110.59	369.83	4.76	-105.83
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000481019	0	46	-2.0	-100.24	407.87	6.28	-93.96
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000481020	0	37	-2.0	-107.70	357.50	3.73	-103.97
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300000481021	0	43	-2.0	-113.79	379.77	5.49	-108.30
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000481022	0	44	-2.0	-99.78	395.37	4.98	-94.80
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000481023	0	41	-2.0	-111.94	370.96	4.06	-107.88
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=N1	REAL300000481024	0	44	-2.0	-114.31	388.52	3.51	-110.80
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=N1	REAL300000481025	0	40	-2.0	-104.69	373.46	4.38	-100.31
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=N1	REAL300000481026	0	46	-2.0	-115.37	395.41	6.04	-109.33
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000481027	0	37	-2.0	-109.13	355.97	3.74	-105.39
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000481028	0	44	-2.0	-119.15	391.59	4.77	-114.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)(C)C(=O)OC)N=C1	REAL300000481029	0	46	-2.0	-111.96	394.45	6.41	-105.55
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=N1	REAL300000481030	0	40	-2.0	-107.09	367.32	3.85	-103.24
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=N1	REAL300000481031	0	44	-2.0	-115.98	393.30	3.79	-112.19
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=N1	REAL300000481032	0	43	-2.0	-104.59	385.06	5.52	-99.07
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=N1	REAL300000481033	0	40	-2.0	-110.21	374.04	4.59	-105.62
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000481034	0	40	-2.0	-100.91	368.84	4.73	-96.18
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000481035	0	37	-2.0	-103.44	356.59	3.82	-99.62
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000481036	0	40	-2.0	-104.28	370.70	4.76	-99.52
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=N1	REAL300000481037	0	43	-2.0	-112.07	390.10	5.40	-106.67
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000481038	0	40	-2.0	-101.24	369.80	4.78	-96.46
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000481039	0	41	-2.0	-112.74	374.06	2.42	-110.32
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000481040	0	43	-2.0	-104.97	386.47	5.48	-99.49
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000481041	0	43	-2.0	-111.23	374.39	5.32	-105.91
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000481042	0	43	-2.0	-112.07	389.14	5.35	-106.72
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000481043	0	43	-2.0	-101.52	379.75	5.49	-96.03
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000481044	0	46	-2.0	-119.53	401.11	5.86	-113.67
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000481045	0	46	-2.0	-115.71	397.73	6.11	-109.60
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=N1	REAL300000481046	0	43	-2.0	-112.90	389.65	5.40	-107.50
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=N1	REAL300000481047	0	43	-2.0	-120.16	389.32	5.39	-114.77
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C(=O)OC)N=C2)C=C1C(=O)[O-]	REAL300000481048	0	46	-2.0	-115.13	398.25	5.89	-109.24
CCN1C=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C(=O)OC)N=C2)C=C1C(=O)[O-]	REAL300000481049	0	44	-2.0	-113.26	392.33	4.92	-108.34
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000481050	0	43	-2.0	-101.80	380.31	5.25	-96.55
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=N1	REAL300000481051	0	43	-2.0	-111.17	384.27	5.50	-105.67
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000481052	0	40	-2.0	-119.39	368.00	4.73	-114.66
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000481053	0	43	-2.0	-107.50	389.24	5.37	-102.13
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000481054	0	39	-2.0	-111.17	360.53	2.83	-108.34
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=N1	REAL300000481055	0	44	-2.0	-105.81	392.55	4.50	-101.31
COC(=O)C(C)(C)N1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000481056	0	37	-2.0	-101.35	364.46	3.68	-97.67
CCC1=C(S(=O)(=O)[N-]C2=CN(C(C)(C)C(=O)OC)N=C2)C=C(C(=O)[O-])O1	REAL300000481057	0	43	-2.0	-106.86	386.44	4.70	-102.16
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C2=CC=CC=C21	REAL300000481063	0	38	-2.0	-90.90	329.28	6.96	-83.94
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=CC=C1F	REAL300000481070	0	38	-2.0	-103.22	328.82	7.84	-95.38
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300000481078	0	38	-2.0	-98.35	328.57	7.94	-90.41
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481084	0	38	-2.0	-104.82	328.54	7.94	-96.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C2=CC=CC=C21	REAL300000481105	0	42	-2.0	-101.65	357.50	7.82	-93.83
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300000481106	0	42	-2.0	-100.84	360.05	9.22	-91.62
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000481111	0	41	-2.0	-104.14	344.29	8.46	-95.68
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481122	0	38	-2.0	-95.76	335.99	8.38	-87.38
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=CC=C1Cl	REAL300000481123	0	38	-2.0	-100.11	336.79	8.21	-91.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1C	REAL300000481139	0	44	-2.0	-101.95	353.25	9.04	-92.91
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481142	0	38	-2.0	-96.08	335.01	8.10	-87.98
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300000481147	0	44	-2.0	-98.80	372.16	9.50	-89.30
O=C([O-])C1=CSC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481154	0	35	-2.0	-100.17	322.09	6.98	-93.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C2=CC=CC=C21	REAL300000481157	0	41	-2.0	-103.57	334.93	8.32	-95.25
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300000481170	0	42	-2.0	-99.09	359.67	8.21	-90.88
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000481194	0	39	-2.0	-100.79	332.25	7.15	-93.64
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C2=CC=CC=C21	REAL300000481197	0	42	-2.0	-102.70	344.87	6.54	-96.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481214	0	38	-2.0	-95.79	335.17	7.56	-88.23
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000481217	0	44	-2.0	-101.45	353.40	9.06	-92.39
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=CS1	REAL300000481233	0	35	-2.0	-102.01	320.37	6.98	-95.03
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000481235	0	42	-2.0	-108.50	351.57	7.89	-100.61
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481244	1	39	-2.0	-108.71	328.72	6.69	-102.02
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C2=CC=CC=C21	REAL300000481246	0	44	-2.0	-107.78	366.75	9.91	-97.87
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000481252	0	38	-2.0	-102.19	333.96	7.15	-95.04
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481260	0	42	-2.0	-115.59	358.15	7.11	-108.48
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C2=CC=CC=C21	REAL300000481278	0	41	-2.0	-95.98	340.82	8.53	-87.45
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300000481296	1	41	-2.0	-92.44	355.34	4.41	-88.03
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300000481309	0	38	-2.0	-100.46	333.22	7.78	-92.68
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C(Cl)=C1	REAL300000481351	0	38	-2.0	-98.20	335.90	8.35	-89.85
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1F	REAL300000481352	0	38	-2.0	-96.89	328.79	7.85	-89.04
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300000481356	0	35	-2.0	-97.41	321.10	7.07	-90.34
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481358	0	38	-2.0	-94.45	331.50	7.88	-86.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1F	REAL300000481359	0	41	-2.0	-96.72	355.46	8.73	-87.99
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C(F)=C1	REAL300000481361	0	38	-2.0	-99.36	335.15	8.10	-91.26
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1Cl	REAL300000481362	0	38	-2.0	-93.84	336.76	8.20	-85.64
CC(=O)NC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=CC=C1[O-]	REAL300000481370	1	43	-2.0	-97.13	358.84	4.14	-92.99
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=CC(F)=C1F	REAL300000481379	0	38	-2.0	-98.10	339.41	8.02	-90.08
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481384	0	38	-3.0	-177.73	335.66	6.62	-171.11
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481384	1	39	-2.0	-98.04	335.43	5.91	-92.13
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300000481386	0	41	-2.0	-99.00	350.76	8.69	-90.31
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C2=CC=CC=C21	REAL300000481407	0	41	-2.0	-99.81	330.20	8.17	-91.64
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=CC(C(=O)[O-])=C1F	REAL300000481409	0	41	-2.0	-105.40	353.42	8.58	-96.82
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C2=CC=CC=C21	REAL300000481410	0	41	-2.0	-96.00	334.91	8.32	-87.68
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000481415	0	44	-2.0	-107.54	366.10	9.13	-98.41
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481419	0	38	-2.0	-91.91	341.14	8.16	-83.75
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C(C)=C1C(=O)[O-]	REAL300000481425	0	44	-2.0	-116.41	355.58	9.13	-107.28
CC1=CC(F)=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000481426	0	41	-2.0	-95.89	350.98	8.63	-87.26
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481427	0	41	-2.0	-118.18	354.38	8.71	-109.47
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000481431	0	44	-2.0	-102.62	358.40	8.99	-93.63
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C2=CC=CC=C21	REAL300000481436	0	41	-2.0	-94.69	341.10	7.62	-87.07
COC1=CC=C([O-])C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481445	1	40	-2.0	-106.50	336.79	5.32	-101.18
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000481466	0	42	-2.0	-101.66	353.62	8.02	-93.64
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300000481533	1	38	-2.0	-91.71	339.46	3.69	-88.02
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000481569	0	41	-2.0	-95.03	341.10	8.35	-86.68
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C2=CC=CC=C21	REAL300000481608	0	41	-2.0	-101.34	340.50	8.53	-92.81
O=C([O-])C1CCN(S(=O)(=O)C2=NC=C[N-]2)C2=CC=CC=C21	REAL300000481613	0	32	-2.0	-92.39	276.67	3.68	-88.71
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1F	REAL300000481641	0	38	-2.0	-118.18	333.36	8.06	-110.12
CC1=C(F)C=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000481659	0	41	-2.0	-96.53	350.38	8.48	-88.05
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481713	0	37	-2.0	-97.38	323.42	6.41	-90.97
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C2=CC=CC=C21	REAL300000481726	0	36	-2.0	-100.05	313.72	6.07	-93.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C2=CC=CC=C21	REAL300000481743	0	42	-2.0	-100.86	357.89	7.78	-93.08
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C(Cl)O1	REAL300000481748	0	35	-2.0	-94.75	330.64	6.97	-87.78
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300000481859	1	41	-2.0	-93.92	359.17	5.22	-88.70
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=N[N-]1	REAL300000481859	1	41	-2.0	-93.88	359.20	5.22	-88.66
CCC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000481914	0	41	-2.0	-101.34	348.49	7.69	-93.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=C(Cl)SN=N3)=C2)C=C1	REAL300000481920	1	33	-2.0	-97.64	337.92	5.54	-92.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=C(Cl)SN=N3)=C2)=C1	REAL300000481921	1	33	-2.0	-110.60	337.94	5.53	-105.07
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=C(Cl)SN=N3)=C2)C=C1C(=O)[O-]	REAL300000481922	0	34	-2.0	-108.94	344.59	4.87	-104.07
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=C(Cl)SN=N3)=C2)C=C(C(=O)[O-])O1	REAL300000481923	0	33	-2.0	-103.81	340.96	4.66	-99.15
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=C(Cl)SN=N3)=C2)=C1	REAL300000481924	0	32	-2.0	-106.48	334.92	3.58	-102.90
NC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481925	0	32	-2.0	-92.18	324.57	4.44	-87.74
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481926	0	32	-2.0	-82.77	320.01	4.41	-78.36
NC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481927	0	32	-2.0	-93.97	320.04	4.41	-89.56
NC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481928	0	36	-2.0	-82.89	351.48	5.70	-77.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC([N+](=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000481929	0	35	-2.0	-94.39	335.83	4.95	-89.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC([N+](=O)[O-])=C2N)=C1C	REAL300000481930	0	38	-2.0	-96.74	353.15	5.73	-91.01
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481931	0	32	-2.0	-91.19	327.32	4.47	-86.72
NC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481932	0	38	-2.0	-81.89	363.60	5.99	-75.90
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481933	0	29	-2.0	-88.82	315.03	3.42	-85.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC([N+](=O)[O-])=C1N	REAL300000481934	0	35	-2.0	-95.30	337.29	5.19	-90.11
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC([N+](=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000481935	0	33	-2.0	-92.51	326.69	3.76	-88.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=CC([N+](=O)[O-])=C2N)=C1	REAL300000481936	0	32	-2.0	-85.03	329.14	4.08	-80.95
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC([N+](=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000481937	1	38	-2.0	-96.31	353.48	5.73	-90.58
NC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481938	0	29	-2.0	-90.23	311.69	3.44	-86.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC([N+](=O)[O-])=C1N	REAL300000481939	0	38	-2.0	-93.76	350.11	6.12	-87.64
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC([N+](=O)[O-])=C2N)C=C(C(=O)[O-])O1	REAL300000481940	0	32	-2.0	-88.90	323.05	3.55	-85.35
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC([N+](=O)[O-])=C2N)C=C(C(=O)[O-])S1	REAL300000481941	0	32	-2.0	-92.05	328.66	4.30	-87.75
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481942	0	32	-2.0	-82.69	324.57	4.45	-78.24
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481943	0	29	-2.0	-83.99	312.29	3.53	-80.46
NC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481944	0	32	-2.0	-85.23	326.46	4.48	-80.75
NC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481945	0	32	-2.0	-81.76	325.49	4.48	-77.28
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481946	0	33	-2.0	-94.20	329.75	2.11	-92.09
NC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481947	0	35	-2.0	-85.82	342.20	5.18	-80.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC([N+](=O)[O-])=C1N	REAL300000481948	0	35	-2.0	-89.97	329.58	5.05	-84.92
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC([N+](=O)[O-])=C1N	REAL300000481949	1	35	-2.0	-83.27	335.45	5.16	-78.11
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC([N+](=O)[O-])=C2N)=CC(C(=O)[O-])=C1C	REAL300000481950	0	38	-2.0	-95.92	352.75	5.46	-90.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC([N+](=O)[O-])=C2N)C(C)=C1C(=O)[O-]	REAL300000481951	1	38	-2.0	-94.14	356.45	5.81	-88.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC([N+](=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000481952	0	38	-2.0	-94.93	354.35	5.59	-89.34
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC([N+](=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000481953	0	36	-2.0	-93.63	348.06	4.62	-89.01
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC([N+](=O)[O-])=C2N)=CC=C1C(=O)[O-]	REAL300000481954	0	35	-2.0	-84.27	339.37	5.02	-79.25
NC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481955	0	32	-2.0	-96.85	323.67	4.43	-92.42
NC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481956	0	31	-2.0	-91.08	316.25	2.52	-88.56
NC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300000481957	0	29	-2.0	-83.07	320.13	3.38	-79.69
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC([N+](=O)[O-])=C2N)C=C(C(=O)[O-])O1	REAL300000481958	0	35	-2.0	-88.73	342.16	4.40	-84.33
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000481959	0	43	-2.0	-105.46	387.23	5.79	-99.67
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000481960	0	43	-2.0	-96.33	383.25	5.74	-90.59
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000481961	0	43	-2.0	-107.63	382.70	5.76	-101.87
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000481962	0	46	-2.0	-109.08	398.84	6.31	-102.77
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000481963	0	43	-2.0	-106.50	389.99	5.64	-100.86
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000481964	0	40	-2.0	-103.48	378.17	4.57	-98.91
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000481965	0	46	-2.0	-109.60	398.71	6.51	-103.09
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000481966	0	44	-2.0	-107.03	390.32	5.08	-101.95
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000481967	0	40	-2.0	-103.88	374.93	4.76	-99.12
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000481968	0	43	-2.0	-103.13	385.71	4.90	-98.23
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000481969	0	43	-2.0	-95.74	387.21	5.80	-89.94
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000481970	0	40	-2.0	-97.57	376.76	4.87	-92.70
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000481971	0	43	-2.0	-99.21	389.68	5.80	-93.41
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000481972	0	43	-2.0	-95.27	389.13	5.78	-89.49
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000481973	0	44	-2.0	-109.53	393.90	3.30	-106.23
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000481974	0	46	-2.0	-99.48	405.44	6.51	-92.97
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000481975	0	46	-2.0	-103.33	393.87	6.39	-96.94
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1C	REAL300000481976	0	46	-2.0	-96.43	398.10	6.52	-89.91
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N(CCC(=O)OC)N=C2C)C=C1C(=O)[O-]	REAL300000481977	0	47	-2.0	-107.93	411.62	5.92	-102.01
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000481978	0	46	-2.0	-96.22	398.85	6.31	-89.91
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000481979	0	43	-2.0	-111.23	387.31	5.74	-105.49
COC(=O)CCN1N=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000481980	0	42	-2.0	-106.28	380.90	3.69	-102.59
CCC1=C(S(=O)(=O)[N-]C2=C(C)N(CCC(=O)OC)N=C2C)C=C(C(=O)[O-])O1	REAL300000481981	0	46	-2.0	-103.21	404.84	5.76	-97.45
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=C1	REAL300000481982	1	32	-2.0	-104.40	329.98	6.80	-97.60
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)C=C1	REAL300000481983	1	32	-2.0	-99.45	329.95	6.80	-92.65
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(CC(=O)[O-])=C1	REAL300000481984	0	32	-2.0	-116.50	327.24	6.66	-109.84
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(CC(=O)[O-])=C1	REAL300000481985	0	34	-2.0	-102.41	325.37	4.22	-98.19
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(CC(=O)[O-])=C1	REAL300000481986	0	33	-2.0	-96.73	324.07	5.33	-91.40
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=C1	REAL300000481987	1	34	-2.0	-108.24	330.55	7.07	-101.17
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=C1	REAL300000481989	1	37	-2.0	-107.61	346.04	7.83	-99.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)C=C1C	REAL300000481990	1	37	-2.0	-108.96	348.26	7.64	-101.32
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000481992	0	28	-2.0	-105.33	301.07	5.41	-99.92
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)C=C1	REAL300000481993	1	34	-2.0	-107.57	330.54	7.08	-100.49
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300000481994	1	31	-2.0	-104.43	315.55	6.47	-97.96
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000481995	1	31	-2.0	-107.39	309.15	6.40	-100.99
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)S1	REAL300000481997	0	31	-2.0	-106.56	322.96	6.20	-100.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)C=C1	REAL300000481999	1	37	-2.0	-106.95	352.03	7.85	-99.10
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1	REAL300000482000	1	31	-2.0	-99.97	315.54	6.47	-93.50
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1	REAL300000482001	0	31	-2.0	-112.26	314.64	6.46	-105.80
CN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)C=N1	REAL300000482002	0	31	-2.0	-104.39	313.69	4.11	-100.28
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CNN=C2)=C1	REAL300000482004	0	28	-2.0	-100.58	290.73	2.80	-97.78
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1	REAL300000482005	0	30	-2.0	-97.97	310.55	4.68	-93.29
CN1C=NC(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=C1	REAL300000482006	0	31	-2.0	-116.43	313.32	5.48	-110.95
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)C=N1	REAL300000482007	0	31	-2.0	-95.59	325.09	4.92	-90.67
CC1=NC(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=CN1C	REAL300000482008	0	34	-2.0	-117.13	332.84	5.28	-111.85
CCN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)C=N1	REAL300000482009	0	34	-2.0	-104.67	335.23	4.96	-99.71
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(CC(=O)[O-])=C1	REAL300000482010	0	31	-2.0	-102.07	309.56	3.45	-98.62
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(CC(=O)[O-])=C1	REAL300000482011	1	34	-2.0	-107.24	324.21	7.18	-100.06
CN1C=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=N1	REAL300000482013	0	31	-2.0	-112.08	313.98	3.94	-108.14
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(CC(=O)[O-])=C1	REAL300000482014	0	31	-2.0	-98.95	309.38	4.02	-94.93
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CNC=N2)=C1	REAL300000482019	0	28	-2.0	-111.73	290.44	3.79	-107.94
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)SC=C1	REAL300000482021	0	31	-2.0	-108.08	319.90	6.03	-102.05
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=C1	REAL300000482029	1	37	-2.0	-108.54	352.03	7.84	-100.70
CC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)S1	REAL300000482032	0	30	-2.0	-102.77	317.67	4.22	-98.55
CC1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=C(C)O1	REAL300000482037	0	34	-2.0	-104.19	332.12	5.98	-98.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)O1	REAL300000482038	0	31	-2.0	-106.59	313.74	5.22	-101.37
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CO2)=C1	REAL300000482040	0	28	-2.0	-105.27	291.83	4.40	-100.87
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(CC(=O)[O-])=C1	REAL300000482041	0	30	-2.0	-93.26	302.57	2.87	-90.39
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(CC(=O)[O-])=C1	REAL300000482042	1	37	-2.0	-105.35	339.35	8.11	-97.24
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)C(N)=NO1	REAL300000482046	0	32	-2.0	-96.39	315.57	3.81	-92.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)C=N1	REAL300000482048	0	33	-2.0	-103.72	325.74	5.23	-98.49
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)N(C)N=C1	REAL300000482051	0	34	-2.0	-99.77	326.03	4.88	-94.89
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)O1	REAL300000482052	0	29	-2.0	-99.09	313.07	4.94	-94.15
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CSC=C2)=C1	REAL300000482053	0	28	-2.0	-103.03	300.25	5.31	-97.72
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=COC=C2)=C1	REAL300000482054	0	28	-2.0	-103.79	291.68	4.29	-99.50
CC1=CSC(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=C1	REAL300000482055	0	31	-2.0	-105.53	322.70	6.07	-99.46
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1	REAL300000482056	0	28	-2.0	-102.86	307.42	3.21	-99.65
CC1=NSC(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=C1	REAL300000482057	0	30	-2.0	-100.01	317.63	4.70	-95.31
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000482059	0	28	-2.0	-107.40	307.42	5.44	-101.96
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(Br)=CC(CC(=O)[O-])=C1	REAL300000482061	1	31	-2.0	-130.99	314.49	2.35	-128.64
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=NC=CN2)=C1	REAL300000482062	0	28	-2.0	-108.95	290.76	2.98	-105.97
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)C=NN1C	REAL300000482065	0	34	-2.0	-103.71	329.79	4.64	-99.07
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)C=C1	REAL300000482066	1	35	-2.0	-107.37	340.22	7.49	-99.88
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(Br)=CC(CC(=O)[O-])=C1	REAL300000482067	0	34	-2.0	-105.06	332.51	4.76	-100.30
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=C1	REAL300000482068	0	31	-2.0	-97.47	325.00	5.00	-92.47
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(CC(=O)[O-])=C1	REAL300000482073	0	30	-2.0	-97.30	306.09	4.35	-92.95
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000482074	0	30	-2.0	-110.13	309.65	4.58	-105.55
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1	REAL300000482076	0	30	-2.0	-97.18	310.56	4.55	-92.63
CC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)N1C	REAL300000482079	0	34	-2.0	-104.71	328.29	5.45	-99.26
NC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)C=N1	REAL300000482081	0	31	-2.0	-99.18	314.35	3.75	-95.43
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000482082	0	27	-2.0	-99.56	295.88	4.11	-95.45
CN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)N=N1	REAL300000482083	0	30	-2.0	-106.96	307.94	2.72	-104.24
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(CC(=O)[O-])=C1	REAL300000482084	0	33	-2.0	-93.69	324.38	3.74	-89.95
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)N=CN1	REAL300000482085	0	31	-2.0	-114.75	308.25	4.50	-110.25
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(CC(=O)[O-])=C1	REAL300000482087	1	37	-2.0	-106.03	338.80	8.03	-98.00
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=C1	REAL300000482088	0	34	-2.0	-99.89	331.32	4.63	-95.26
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=C1C	REAL300000482089	1	37	-2.0	-107.66	341.63	7.71	-99.95
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)O1	REAL300000482091	0	34	-2.0	-106.64	335.22	6.00	-100.64
CCN1N=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=N1	REAL300000482092	0	33	-2.0	-104.40	329.85	3.27	-101.13
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1	REAL300000482093	0	28	-2.0	-100.66	308.89	5.01	-95.65
CC1=COC(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)=C1	REAL300000482094	0	31	-2.0	-105.76	313.73	5.07	-100.69
N#CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)OC=C1	REAL300000482095	0	29	-2.0	-106.06	310.98	4.87	-101.19
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300000482096	0	28	-2.0	-102.92	307.91	4.91	-98.01
N#CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(CC(=O)[O-])=C2)C=CO1	REAL300000482097	0	29	-2.0	-107.62	312.10	4.82	-102.80
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300000482098	1	32	-2.0	-107.92	320.17	3.55	-104.37
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000482099	0	27	-2.0	-96.81	294.78	3.99	-92.82
O=C([O-])CC1=CC(Br)=CC([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000482100	0	27	-2.0	-101.37	295.73	3.51	-97.86
COC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000482101	0	32	-2.0	-93.60	316.19	4.98	-88.62
COC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000482102	0	32	-2.0	-105.92	316.21	4.97	-100.95
COC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000482103	0	29	-2.0	-100.16	309.39	3.98	-96.18
COC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000482104	0	33	-2.0	-104.35	322.86	4.31	-100.04
COC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000482105	0	29	-2.0	-101.58	307.86	4.00	-97.58
COC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000482106	0	32	-2.0	-99.75	319.22	4.10	-95.65
COC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000482107	0	29	-2.0	-95.07	308.47	4.09	-90.98
COC1=CC(Br)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000482108	0	31	-2.0	-103.66	312.42	3.08	-100.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)=CC=C1F	REAL300000482109	0	37	-2.0	-100.69	351.71	3.33	-97.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C=C1	REAL300000482110	0	37	-2.0	-91.16	347.41	3.31	-87.85
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)=C1	REAL300000482111	0	37	-2.0	-102.75	347.18	3.30	-99.45
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C=C1	REAL300000482112	0	41	-2.0	-91.37	378.87	4.60	-86.77
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000482113	0	40	-2.0	-103.51	363.95	3.76	-99.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)=C1C	REAL300000482114	0	43	-2.0	-105.85	379.58	4.61	-101.24
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)=C1	REAL300000482115	0	37	-2.0	-99.70	352.66	3.36	-96.34
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C=C1	REAL300000482116	0	43	-2.0	-90.41	390.99	4.89	-85.52
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)=C1	REAL300000482117	0	34	-2.0	-97.28	340.37	2.32	-94.96
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(OC2=CC=CC=C2)N=C1	REAL300000482118	0	40	-2.0	-104.25	362.61	4.08	-100.17
CN1C=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000482119	0	38	-2.0	-101.25	354.07	2.66	-98.59
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)=C1	REAL300000482120	0	37	-2.0	-93.40	356.54	2.99	-90.41
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000482121	0	43	-2.0	-105.48	378.56	4.65	-100.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)=CS1	REAL300000482122	0	34	-2.0	-98.76	338.83	2.33	-96.43
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(OC2=CC=CC=C2)N=C1	REAL300000482123	0	43	-2.0	-103.10	377.58	5.03	-98.07
CC1=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000482124	0	37	-2.0	-97.49	350.19	2.44	-95.05
CC1=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000482125	0	37	-2.0	-100.86	356.03	3.21	-97.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C=C1F	REAL300000482126	0	37	-2.0	-91.04	351.95	3.35	-87.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)S1	REAL300000482127	0	34	-2.0	-92.48	339.45	2.43	-90.05
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)=C1	REAL300000482128	0	37	-2.0	-94.04	353.59	3.36	-90.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C(F)=C1	REAL300000482129	0	37	-2.0	-90.18	352.89	3.38	-86.80
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)=C1	REAL300000482130	0	38	-2.0	-103.27	356.90	1.01	-102.26
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C=C1	REAL300000482131	0	40	-2.0	-94.32	369.59	4.08	-90.24
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C(OC2=CC=CC=C2)N=C1	REAL300000482132	0	40	-2.0	-99.04	357.59	3.92	-95.12
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(OC2=CC=CC=C2)N=C1	REAL300000482133	0	40	-2.0	-91.84	362.59	4.07	-87.77
CC1=CC(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000482134	0	43	-2.0	-106.54	384.54	4.43	-102.11
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000482135	0	43	-2.0	-103.15	381.85	4.67	-98.48
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000482136	0	43	-2.0	-104.08	381.51	4.43	-99.65
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000482137	0	41	-2.0	-102.43	375.21	3.51	-98.92
CC1=CC(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000482138	0	40	-2.0	-91.12	363.92	3.77	-87.35
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)=C1F	REAL300000482139	0	37	-2.0	-106.18	351.09	3.34	-102.84
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)=C1	REAL300000482140	0	36	-2.0	-99.74	344.41	1.38	-98.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)=C(Cl)O1	REAL300000482141	0	34	-2.0	-91.35	347.33	2.26	-89.09
CCC1=C(S(=O)(=O)[N-]C2=CN=C(OC3=CC=CC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000482142	0	40	-2.0	-97.43	369.31	3.29	-94.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CS1	REAL300000482143	0	35	-2.0	-89.65	335.31	3.30	-86.35
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CS1	REAL300000482144	1	28	-2.0	-105.96	283.37	4.74	-101.22
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(C)=C1	REAL300000482145	0	36	-2.0	-107.68	338.47	5.81	-101.87
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=CS1	REAL300000482146	0	28	-2.0	-103.90	295.26	5.42	-98.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(C)=C1	REAL300000482147	0	32	-2.0	-114.54	306.99	4.53	-110.01
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=CS1	REAL300000482148	0	28	-2.0	-103.94	295.08	5.20	-98.74
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CS1	REAL300000482149	1	32	-2.0	-95.62	310.30	6.01	-89.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CS1	REAL300000482150	1	31	-2.0	-110.98	298.91	5.35	-105.63
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CS1	REAL300000482151	0	28	-2.0	-104.56	291.91	5.29	-99.27
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CS1	REAL300000482152	0	28	-2.0	-104.38	291.35	5.10	-99.28
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=CS1	REAL300000482153	0	28	-2.0	-99.98	304.41	5.66	-94.32
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CS1	REAL300000482154	1	34	-2.0	-111.99	311.52	6.07	-105.92
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CS1	REAL300000482155	0	28	-2.0	-106.20	284.32	4.78	-101.42
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CS1	REAL300000482156	0	34	-2.0	-95.02	322.41	6.30	-88.72
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CS1	REAL300000482157	0	25	-2.0	-102.70	272.03	3.74	-98.96
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CS1	REAL300000482158	1	31	-2.0	-109.82	294.27	5.49	-104.33
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CS1	REAL300000482159	1	32	-2.0	-94.32	309.92	4.99	-89.33
CC1=CC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=CS1	REAL300000482160	1	39	-2.0	-91.01	355.68	5.76	-85.25
CC1=CC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=CS1	REAL300000482161	0	25	-2.0	-99.86	289.02	4.50	-95.36
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CS1	REAL300000482162	0	29	-2.0	-107.03	285.49	4.07	-102.96
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CS1	REAL300000482163	1	32	-2.0	-110.15	303.05	3.52	-106.63
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)=CS1	REAL300000482164	0	28	-2.0	-104.05	303.76	5.36	-98.69
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CS1	REAL300000482165	0	28	-2.0	-98.68	287.95	4.39	-94.29
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CS1	REAL300000482166	1	34	-2.0	-111.48	309.91	6.06	-105.42
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CS1	REAL300000482167	0	25	-2.0	-104.20	270.49	3.76	-100.44
COC1=CC(S(=O)(=O)[N-]C2=CSC(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000482168	1	36	-2.0	-108.68	337.16	4.53	-104.15
COC1=CC=C(S(=O)(=O)[N-]C2=CSC(C)=C2)C=C1C(=O)[O-]	REAL300000482169	1	32	-2.0	-114.41	306.12	4.77	-109.64
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CS1	REAL300000482170	1	38	-2.0	-113.85	334.08	7.35	-106.50
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CS1	REAL300000482171	1	37	-2.0	-112.19	332.74	6.73	-105.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(C)=C1	REAL300000482172	1	34	-2.0	-108.24	308.97	6.44	-101.80
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(C)=C1	REAL300000482173	0	35	-2.0	-114.69	329.27	5.28	-109.41
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CS1	REAL300000482174	0	30	-3.0	-182.82	307.25	5.27	-177.55
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CS1	REAL300000482174	1	31	-2.0	-107.12	312.97	5.13	-101.99
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CS1	REAL300000482175	1	35	-2.0	-114.15	323.09	6.60	-107.55
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CS1	REAL300000482176	0	28	-2.0	-102.50	281.85	3.86	-98.64
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CS1	REAL300000482177	1	34	-2.0	-113.29	321.01	4.47	-108.82
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CS1	REAL300000482178	0	32	-2.0	-109.38	307.83	3.81	-105.57
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=CS1	REAL300000482179	1	36	-2.0	-95.79	332.48	5.33	-90.46
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=CS1	REAL300000482180	0	28	-2.0	-97.96	306.52	5.56	-92.40
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CS1	REAL300000482181	0	28	-2.0	-101.09	296.44	5.31	-95.78
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CS1	REAL300000482182	1	32	-2.0	-92.78	325.96	5.53	-87.25
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CS1	REAL300000482183	1	35	-2.0	-94.85	330.00	5.70	-89.15
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=CS1	REAL300000482184	0	38	-2.0	-93.61	358.60	5.96	-87.65
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CS1	REAL300000482185	0	31	-2.0	-100.09	299.55	5.52	-94.57
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=CS1	REAL300000482186	1	41	-2.0	-95.07	372.43	6.63	-88.44
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CS1	REAL300000482187	0	32	-2.0	-93.67	316.15	5.06	-88.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)=CS1	REAL300000482188	1	38	-2.0	-93.34	368.40	6.44	-86.90
CCOC1=CC=C(S(=O)(=O)[N-]C2=CSC(C)=C2)C=C1C(=O)[O-]	REAL300000482189	1	35	-2.0	-115.07	327.98	5.68	-109.39
CC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CS1	REAL300000482190	0	28	-2.0	-106.26	287.44	4.62	-101.64
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=CS1	REAL300000482191	0	28	-2.0	-98.11	307.06	5.73	-92.38
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CS1	REAL300000482192	0	28	-2.0	-93.25	291.89	5.27	-87.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=CS1	REAL300000482193	0	28	-2.0	-92.80	295.24	5.41	-87.39
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CS1	REAL300000482194	0	28	-2.0	-95.14	283.38	4.75	-90.39
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CS1	REAL300000482195	0	25	-2.0	-97.43	271.11	3.84	-93.59
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CS1	REAL300000482196	0	28	-2.0	-99.34	285.25	4.77	-94.57
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CS1	REAL300000482197	0	31	-2.0	-107.41	304.61	5.41	-102.00
COC1=CC(S(=O)(=O)[N-]C2=CSC(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000482198	0	32	-2.0	-97.81	319.14	5.34	-92.47
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CS1	REAL300000482199	0	28	-2.0	-95.08	284.30	4.78	-90.30
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CS1	REAL300000482200	1	28	-2.0	-93.29	291.35	5.11	-88.18
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CS1	REAL300000482201	0	31	-2.0	-101.88	308.28	5.91	-95.97
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)=CS1	REAL300000482202	0	31	-2.0	-97.95	309.67	6.01	-91.94
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CS1	REAL300000482203	0	36	-2.0	-92.49	342.59	6.13	-86.36
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=CS1	REAL300000482204	1	28	-2.0	-92.87	295.09	5.21	-87.66
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CS1	REAL300000482205	0	28	-2.0	-97.30	289.66	4.80	-92.50
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CS1	REAL300000482206	0	30	-2.0	-93.18	307.04	5.38	-87.80
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CS1	REAL300000482207	0	29	-2.0	-109.01	288.55	2.44	-106.57
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=CS1	REAL300000482208	1	31	-2.0	-103.43	316.68	5.87	-97.56
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CS1	REAL300000482209	0	31	-2.0	-99.91	301.01	5.49	-94.42
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CS1	REAL300000482210	0	28	-2.0	-98.81	299.55	5.24	-93.57
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CS1	REAL300000482211	1	31	-2.0	-104.43	288.39	5.39	-99.04
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)=CS1	REAL300000482212	0	31	-2.0	-102.43	312.31	6.00	-96.43
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CS1	REAL300000482213	1	31	-2.0	-107.18	303.67	5.36	-101.82
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CS1	REAL300000482214	1	31	-2.0	-96.03	294.26	5.48	-90.55
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CS1	REAL300000482215	1	34	-2.0	-112.98	315.64	5.88	-107.10
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CS1	REAL300000482216	0	30	-2.0	-106.35	305.40	5.79	-100.56
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CS1	REAL300000482217	0	28	-2.0	-97.51	290.60	4.83	-92.68
CC1=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=CS1	REAL300000482218	0	25	-2.0	-95.21	291.42	4.40	-90.81
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CS1	REAL300000482219	1	34	-2.0	-108.67	312.23	6.13	-102.54
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CS1	REAL300000482220	0	31	-2.0	-108.31	304.16	5.41	-102.90
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CS1	REAL300000482221	0	31	-2.0	-106.12	310.59	5.85	-100.27
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CS1	REAL300000482222	0	31	-2.0	-112.91	303.88	5.40	-107.51
CCC1=CC=C(S(=O)(=O)[N-]C2=CSC(C)=C2)C=C1C(=O)[O-]	REAL300000482223	1	34	-2.0	-110.45	313.07	5.89	-104.56
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)=CS1	REAL300000482224	0	28	-2.0	-100.62	299.79	5.44	-95.18
COC1=CC=C(S(=O)(=O)[N-]C2=CSC(C)=C2)C=C1CC(=O)[O-]	REAL300000482225	1	35	-2.0	-110.57	329.31	4.84	-105.73
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CS1	REAL300000482226	0	31	-2.0	-97.54	305.10	5.90	-91.64
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CS1	REAL300000482227	1	31	-2.0	-92.18	308.95	5.52	-86.66
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CS1	REAL300000482228	0	31	-2.0	-106.03	310.06	5.67	-100.36
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=CS1	REAL300000482229	0	28	-2.0	-101.27	300.13	5.32	-95.95
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Br)=CS1	REAL300000482230	0	31	-2.0	-105.77	313.40	5.98	-99.79
CCN1C=C(S(=O)(=O)[N-]C2=CSC(C)=C2)C=C1C(=O)[O-]	REAL300000482231	0	32	-2.0	-108.23	306.85	4.94	-103.29
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=CS1	REAL300000482232	1	40	-2.0	-108.23	343.75	7.57	-100.66
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)=CS1	REAL300000482233	0	28	-2.0	-95.99	300.94	5.46	-90.53
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CS1	REAL300000482234	0	28	-2.0	-96.10	304.44	5.27	-90.83
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=CS1	REAL300000482235	0	32	-2.0	-94.79	323.54	5.02	-89.77
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CS1	REAL300000482236	1	31	-2.0	-102.88	312.59	5.78	-97.10
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CS1	REAL300000482237	0	37	-2.0	-105.91	328.29	6.85	-99.06
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CSC(C)=C2)C=C1C(=O)[O-]	REAL300000482238	0	32	-2.0	-109.93	319.17	5.35	-104.58
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CS1	REAL300000482239	1	31	-2.0	-95.92	294.85	5.25	-90.67
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CS1	REAL300000482240	0	33	-2.0	-100.65	322.12	6.91	-93.74
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CS1	REAL300000482241	1	31	-2.0	-107.30	298.38	5.56	-101.74
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CS1	REAL300000482242	0	30	-2.0	-115.03	302.57	6.57	-108.46
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CS1	REAL300000482243	0	28	-2.0	-112.39	282.50	4.74	-107.65
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CS1	REAL300000482244	0	31	-2.0	-100.96	303.78	5.38	-95.58
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CS1	REAL300000482245	0	34	-2.0	-116.91	319.88	6.84	-110.07
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CSC(C)=C1	REAL300000482246	0	32	-2.0	-100.21	307.04	4.52	-95.69
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CS1	REAL300000482247	0	25	-2.0	-96.12	278.99	3.69	-92.43
CC1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=CS1	REAL300000482248	1	32	-2.0	-103.60	322.62	5.26	-98.34
CC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=CS1	REAL300000482249	0	31	-2.0	-99.28	322.19	1.75	-97.53
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CS1	REAL300000482250	0	35	-2.0	-102.74	324.97	6.60	-96.14
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CS1	REAL300000482251	0	35	-2.0	-105.83	324.31	6.60	-99.23
CCC1=C(S(=O)(=O)[N-]C2=CSC(C)=C2)C=C(C(=O)[O-])O1	REAL300000482252	0	31	-2.0	-102.41	300.97	4.71	-97.70
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)C)C=C1F	REAL300000482256	1	42	-2.0	-113.01	371.99	4.74	-108.27
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000482260	1	38	-2.0	-102.89	349.35	5.01	-97.88
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(F)=C1	REAL300000482262	0	35	-2.0	-101.33	337.06	3.97	-97.36
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C=C2F)=C1	REAL300000482267	0	38	-2.0	-97.02	353.00	4.63	-92.39
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(F)=C1	REAL300000482269	1	35	-2.0	-105.68	332.62	3.83	-101.85
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C=C2F)C=C(C(=O)[O-])O1	REAL300000482272	1	38	-2.0	-100.38	346.89	4.09	-96.29
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C=C2F)=C1	REAL300000482273	1	42	-2.0	-108.82	368.41	4.13	-104.69
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(F)=C1	REAL300000482277	0	35	-2.0	-96.16	336.53	4.06	-92.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C=C2F)=C1F	REAL300000482279	1	41	-2.0	-107.36	365.19	5.73	-101.63
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000482280	1	38	-2.0	-95.25	344.90	5.11	-90.14
CN(C)C(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(F)=C1	REAL300000482281	0	39	-2.0	-108.22	348.28	3.52	-104.70
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C=C2F)C=C1C(=O)[O-]	REAL300000482288	1	41	-2.0	-105.53	367.94	5.62	-99.91
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C=C2F)=C1	REAL300000482289	1	41	-2.0	-115.64	364.47	5.72	-109.92
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000482294	1	38	-2.0	-112.71	347.51	4.97	-107.74
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(F)=C1	REAL300000482296	0	37	-2.0	-105.59	335.66	3.17	-102.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)C)C=C1F	REAL300000482297	1	42	-2.0	-100.28	367.65	4.84	-95.44
CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(F)=C1	REAL300000482298	0	35	-2.0	-94.42	343.63	3.93	-90.49
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C)C=C2F)C=C(C(=O)[O-])O1	REAL300000482299	1	41	-2.0	-100.07	366.01	4.94	-95.13
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCOC3=C(F)C=CC(F)=C32)=C1	REAL300000482323	0	36	-2.0	-112.32	329.94	6.15	-106.17
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCOC3=C(F)C=CC(F)=C32)=C1	REAL300000482339	0	34	-2.0	-108.32	307.60	4.00	-104.32
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2O1	REAL300000482362	0	40	-2.0	-113.90	356.76	6.88	-107.02
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2O1	REAL300000482363	0	40	-2.0	-103.59	352.20	6.86	-96.73
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2O1	REAL300000482364	0	40	-2.0	-117.09	352.17	6.85	-110.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C=C2	REAL300000482365	0	44	-2.0	-122.24	380.29	6.64	-115.60
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2O1	REAL300000482366	0	44	-2.0	-102.51	383.67	8.15	-94.36
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)C=C1C(=O)[O-]	REAL300000482367	0	43	-2.0	-118.40	368.24	7.38	-111.02
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C2O1	REAL300000482368	0	40	-2.0	-111.72	365.20	7.41	-104.31
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2O1	REAL300000482369	0	40	-2.0	-112.49	364.73	7.24	-105.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)=C1C	REAL300000482370	0	46	-2.0	-119.23	384.80	8.18	-111.05
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2O1	REAL300000482371	0	40	-2.0	-114.19	357.64	6.91	-107.28
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2O1	REAL300000482372	0	46	-2.0	-101.89	395.79	8.42	-93.47
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2O1	REAL300000482373	0	37	-2.0	-111.00	345.35	5.86	-105.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C=C2	REAL300000482374	0	43	-2.0	-116.88	367.61	7.62	-109.26
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2O1	REAL300000482375	0	44	-2.0	-101.24	383.29	7.13	-94.11
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)C=C1C(=O)[O-]	REAL300000482376	0	41	-2.0	-115.27	358.87	6.20	-109.07
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C=C2	REAL300000482377	0	44	-2.0	-116.97	376.35	5.66	-111.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)=C1	REAL300000482378	0	40	-2.0	-106.91	361.29	6.52	-100.39
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)C=C1C(=O)[O-]	REAL300000482379	0	46	-2.0	-118.34	383.60	8.17	-110.17
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2O1	REAL300000482380	0	37	-2.0	-112.37	343.81	5.88	-106.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)C=C1C(=O)[O-]	REAL300000482381	0	44	-2.0	-122.96	379.50	6.92	-116.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C=C2	REAL300000482382	0	46	-2.0	-114.22	382.27	8.57	-105.65
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C2O1	REAL300000482383	0	47	-2.0	-121.74	396.38	8.74	-113.00
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)C=C(C(=O)[O-])O1	REAL300000482384	0	40	-2.0	-109.61	355.16	5.98	-103.63
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)=C1	REAL300000482385	0	44	-2.0	-117.54	381.12	5.94	-111.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C=C2	REAL300000482386	0	43	-2.0	-107.15	372.87	7.67	-99.48
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)C=C(C(=O)[O-])S1	REAL300000482387	0	40	-2.0	-113.12	360.78	6.74	-106.38
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2O1	REAL300000482388	0	40	-2.0	-100.78	365.23	7.42	-93.36
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2O1	REAL300000482389	0	40	-2.0	-102.77	356.74	6.89	-95.88
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2O1	REAL300000482390	0	37	-2.0	-105.55	344.42	5.97	-99.58
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2O1	REAL300000482391	0	40	-2.0	-107.47	358.62	6.92	-100.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)=C1F	REAL300000482392	0	43	-2.0	-115.88	377.90	7.55	-108.33
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2O1	REAL300000482393	0	40	-2.0	-103.40	357.64	6.93	-96.47
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2O1	REAL300000482394	0	40	-2.0	-100.97	364.71	7.25	-93.72
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C2O1	REAL300000482395	0	40	-2.0	-105.15	363.03	6.94	-98.21
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2O1	REAL300000482396	0	41	-2.0	-115.40	361.88	4.56	-110.84
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2O1	REAL300000482397	0	43	-2.0	-107.13	374.39	7.61	-99.52
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C=C2	REAL300000482398	0	43	-2.0	-113.11	362.19	7.47	-105.64
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)=CC(C(=O)[O-])=C1F	REAL300000482399	0	43	-2.0	-115.35	377.05	7.50	-107.85
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C=C2	REAL300000482400	0	43	-2.0	-103.19	367.58	7.62	-95.57
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)=CC(C(=O)[O-])=C1C	REAL300000482401	0	46	-2.0	-120.61	385.09	7.92	-112.69
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2O1	REAL300000482402	0	40	-2.0	-105.65	363.91	6.98	-98.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)C(C)=C1C(=O)[O-]	REAL300000482403	0	46	-2.0	-117.32	386.63	8.24	-109.08
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)C=C1C(=O)[O-]	REAL300000482404	0	43	-2.0	-116.65	377.45	7.53	-109.12
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)=C1	REAL300000482405	0	43	-2.0	-122.85	377.18	7.53	-115.32
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)C=C1C(=O)[O-]	REAL300000482406	0	46	-2.0	-119.12	386.54	8.04	-111.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)C=C1C(=O)[O-]	REAL300000482407	0	44	-2.0	-116.56	380.25	7.06	-109.50
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)=CC=C1C(=O)[O-]	REAL300000482408	0	43	-2.0	-103.89	368.23	7.39	-96.50
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C=C2	REAL300000482409	0	43	-2.0	-113.70	372.10	7.66	-106.04
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2O1	REAL300000482410	0	40	-2.0	-121.96	355.81	6.86	-115.10
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)C=C1C(=O)[O-]	REAL300000482411	0	43	-2.0	-108.61	373.38	7.42	-101.19
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2O1	REAL300000482412	0	39	-2.0	-113.66	349.12	4.90	-108.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)C=C2	REAL300000482413	0	44	-2.0	-107.99	380.36	6.65	-101.34
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2O1	REAL300000482414	0	37	-2.0	-103.72	352.27	5.81	-97.91
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C2O1	REAL300000482415	0	47	-2.0	-110.09	398.29	8.73	-101.36
CC1(C)C=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C2O1	REAL300000482416	0	47	-2.0	-114.03	396.25	8.72	-105.31
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)C=C3)C=C(C(=O)[O-])O1	REAL300000482417	0	43	-2.0	-109.06	374.28	6.83	-102.23
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(C)S1	REAL300000482418	1	38	-2.0	-112.61	363.15	3.96	-108.65
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C(C)S1	REAL300000482419	1	38	-2.0	-102.38	358.60	3.93	-98.45
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C)S1	REAL300000482420	0	38	-2.0	-115.44	358.62	3.92	-111.52
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C(C)S1	REAL300000482421	0	42	-2.0	-122.05	386.76	3.73	-118.32
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C(C)S1	REAL300000482422	0	42	-2.0	-101.83	390.07	5.22	-96.61
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C(C)S1	REAL300000482423	1	41	-2.0	-116.53	374.64	4.46	-112.07
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C(C)S1	REAL300000482424	0	44	-2.0	-119.52	391.72	5.25	-114.27
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(C)S1	REAL300000482425	0	38	-2.0	-113.57	364.10	3.99	-109.58
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C(C)S1	REAL300000482426	0	44	-2.0	-101.40	402.18	5.52	-95.88
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(C)S1	REAL300000482427	0	35	-2.0	-109.47	352.14	2.94	-106.53
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C(C)S1	REAL300000482428	0	41	-2.0	-117.62	374.39	4.69	-112.93
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C(C)S1	REAL300000482429	1	42	-2.0	-100.50	389.69	4.21	-96.29
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C)S1	REAL300000482430	0	39	-2.0	-113.52	365.26	3.27	-110.25
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C(C)S1	REAL300000482431	1	42	-2.0	-118.25	382.40	2.76	-115.49
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C(C)S1	REAL300000482432	0	38	-2.0	-105.42	367.73	3.61	-101.81
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C(C)S1	REAL300000482433	1	44	-2.0	-118.91	390.07	5.25	-113.66
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(C)S1	REAL300000482434	0	35	-2.0	-110.91	350.27	2.96	-107.95
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C(C)S1	REAL300000482435	1	42	-2.0	-121.17	385.90	3.99	-117.18
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C(C)S1	REAL300000482436	0	44	-2.0	-116.09	388.74	5.65	-110.44
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(C)S1	REAL300000482437	0	38	-2.0	-109.84	361.96	3.05	-106.79
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C(C)S1	REAL300000482438	0	42	-2.0	-115.84	387.60	3.02	-112.82
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C(C)S1	REAL300000482439	0	38	-2.0	-113.49	368.31	3.82	-109.67
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(C)S1	REAL300000482440	0	38	-2.0	-101.69	363.13	3.96	-97.73
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(C)S1	REAL300000482441	0	35	-2.0	-104.24	351.21	3.04	-101.20
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(C)S1	REAL300000482442	0	38	-2.0	-106.02	365.02	3.99	-102.03
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(C)S1	REAL300000482443	0	38	-2.0	-101.65	364.08	4.00	-97.65
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C(C)S1	REAL300000482444	0	39	-2.0	-116.79	368.33	1.64	-115.15
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C(C)S1	REAL300000482445	0	41	-2.0	-106.79	380.79	4.71	-102.08
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C(C)S1	REAL300000482446	0	41	-2.0	-110.61	368.99	4.55	-106.06
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C(C)S1	REAL300000482447	1	41	-2.0	-102.83	374.04	4.69	-98.14
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C(C)S1	REAL300000482448	1	44	-2.0	-118.57	392.08	5.01	-113.56
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C(C)S1	REAL300000482449	1	44	-2.0	-115.00	392.15	5.35	-109.65
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C(C)S1	REAL300000482450	1	44	-2.0	-117.30	392.56	5.11	-112.19
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C(C)S1	REAL300000482451	0	42	-2.0	-114.86	386.64	4.14	-110.72
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C(C)S1	REAL300000482452	1	41	-2.0	-102.57	374.62	4.47	-98.10
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(C)S1	REAL300000482453	0	38	-2.0	-118.33	362.59	3.94	-114.39
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(C)S1	REAL300000482454	0	37	-2.0	-113.12	354.83	2.05	-111.07
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C(C)S1	REAL300000482455	0	42	-2.0	-106.80	386.82	3.73	-103.07
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C(C)S1	REAL300000482456	0	35	-2.0	-103.21	359.05	2.89	-100.32
CCNC(=O)C1=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C(C)S1	REAL300000482457	0	41	-2.0	-109.85	380.74	3.91	-105.94
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1C	REAL300000482461	0	45	-2.0	-113.27	386.75	6.57	-106.70
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C	REAL300000482464	0	41	-2.0	-103.30	371.68	7.35	-95.95
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000482467	0	41	-2.0	-104.88	364.09	6.84	-98.04
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000482469	0	38	-2.0	-101.79	351.79	5.79	-96.00
CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000482472	1	42	-2.0	-105.94	365.26	6.12	-99.82
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C	REAL300000482474	0	41	-2.0	-97.83	367.73	6.45	-91.38
CCCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C	REAL300000482476	1	38	-2.0	-103.20	350.26	5.81	-97.39
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1C	REAL300000482480	0	48	-2.0	-113.62	409.04	7.34	-106.28
CCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000482481	0	44	-2.0	-109.12	389.48	7.34	-101.78
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C	REAL300000482483	0	41	-2.0	-101.43	361.62	5.91	-95.52
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C	REAL300000482484	0	45	-2.0	-108.68	387.59	5.86	-102.82
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C	REAL300000482486	1	44	-2.0	-99.17	379.32	7.59	-91.58
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C	REAL300000482489	1	41	-2.0	-105.08	367.21	6.67	-98.41
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000482490	1	41	-2.0	-92.55	371.66	7.34	-85.21
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000482492	0	38	-2.0	-96.66	350.88	5.91	-90.75
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000482493	1	41	-2.0	-98.36	365.01	6.84	-91.52
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C	REAL300000482494	0	44	-2.0	-106.33	384.37	7.48	-98.85
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000482495	0	41	-2.0	-94.30	364.07	6.85	-87.45
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000482498	1	41	-2.0	-96.49	369.43	6.87	-89.62
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C	REAL300000482499	1	43	-2.0	-92.40	386.80	7.45	-84.95
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C	REAL300000482500	0	42	-2.0	-107.66	368.32	4.49	-103.17
CCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C	REAL300000482500	1	42	-2.0	-105.48	367.51	5.31	-100.17
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300000482506	1	43	-2.0	-105.58	385.17	7.87	-97.71
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000482507	0	41	-2.0	-96.39	370.36	6.90	-89.49
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C	REAL300000482509	0	44	-2.0	-106.04	380.09	7.38	-98.66
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C	REAL300000482510	0	44	-2.0	-105.11	390.37	7.91	-97.20
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C	REAL300000482511	0	44	-2.0	-112.31	383.65	7.47	-104.84
CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1C	REAL300000482516	1	45	-2.0	-107.30	386.63	6.99	-100.31
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C	REAL300000482520	0	43	-2.0	-114.67	382.34	8.63	-106.04
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000482521	0	41	-2.0	-111.56	362.27	6.81	-104.75
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000482524	0	40	-2.0	-105.28	354.84	4.90	-100.38
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1C	REAL300000482525	0	45	-2.0	-99.29	386.81	6.57	-92.72
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000482526	0	38	-2.0	-95.26	358.75	5.75	-89.51
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1C	REAL300000482529	0	44	-2.0	-101.38	380.74	6.76	-94.62
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1OC	REAL300000482530	1	39	-2.0	-106.11	351.91	4.28	-101.83
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300000482531	1	39	-2.0	-96.02	347.36	4.26	-91.76
COCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1OC	REAL300000482532	1	39	-2.0	-108.74	347.37	4.25	-104.49
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1OC	REAL300000482533	0	43	-2.0	-114.55	375.52	4.05	-110.50
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1OC	REAL300000482534	1	43	-2.0	-95.77	378.83	5.54	-90.23
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000482535	1	42	-2.0	-111.16	367.44	4.90	-106.26
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1OC	REAL300000482536	0	39	-2.0	-104.59	360.45	4.82	-99.77
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1OC	REAL300000482537	1	39	-2.0	-104.47	359.88	4.64	-99.83
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1OC	REAL300000482538	1	45	-2.0	-112.12	380.05	5.60	-106.52
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1OC	REAL300000482539	0	39	-2.0	-106.17	352.85	4.31	-101.86
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1OC	REAL300000482540	1	45	-2.0	-95.19	390.94	5.84	-89.35
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1OC	REAL300000482541	0	36	-2.0	-102.84	340.56	3.26	-99.58
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1OC	REAL300000482542	1	42	-2.0	-109.95	362.81	5.03	-104.92
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1OC	REAL300000482543	1	43	-2.0	-94.53	378.45	4.53	-90.00
COCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000482544	0	40	-2.0	-107.06	354.02	3.59	-103.47
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1OC	REAL300000482546	0	39	-2.0	-98.88	356.49	3.93	-94.95
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1OC	REAL300000482547	1	45	-2.0	-111.61	378.45	5.60	-106.01
COCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1OC	REAL300000482548	0	36	-2.0	-104.33	339.02	3.28	-101.05
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1OC	REAL300000482549	1	43	-2.0	-114.53	374.65	4.32	-110.21
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1OC	REAL300000482550	1	48	-2.0	-112.29	401.28	6.26	-106.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(COC)C(OC)=C1	REAL300000482551	1	45	-2.0	-108.50	377.52	5.96	-102.54
COCC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1OC	REAL300000482552	0	46	-2.0	-114.93	397.80	4.81	-110.12
COCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1OC	REAL300000482553	0	42	-2.0	-110.13	378.25	4.81	-105.32
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1OC	REAL300000482553	1	41	-3.0	-183.38	375.78	4.81	-178.57
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1OC	REAL300000482554	1	46	-2.0	-114.22	391.64	6.15	-108.07
COCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1OC	REAL300000482555	0	39	-2.0	-102.58	350.38	3.38	-99.20
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1OC	REAL300000482556	0	43	-2.0	-109.71	376.36	3.34	-106.37
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1OC	REAL300000482557	1	46	-2.0	-94.95	398.52	5.24	-89.71
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1OC	REAL300000482558	1	42	-2.0	-100.30	368.08	5.06	-95.24
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1OC	REAL300000482559	1	43	-2.0	-93.88	384.67	4.60	-89.28
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(COC)C(OC)=C2)C=C1C(=O)[O-]	REAL300000482560	1	46	-2.0	-115.19	396.51	5.22	-109.97
COCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1OC	REAL300000482561	0	39	-2.0	-106.27	355.97	4.14	-102.13
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1OC	REAL300000482562	0	39	-2.0	-93.69	360.43	4.81	-88.88
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OC	REAL300000482563	1	39	-2.0	-95.45	351.90	4.29	-91.16
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1OC	REAL300000482564	0	36	-2.0	-97.66	339.64	3.38	-94.28
COCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OC	REAL300000482565	1	39	-2.0	-99.39	353.78	4.32	-95.07
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1OC	REAL300000482566	0	42	-2.0	-107.54	373.13	4.95	-102.59
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1OC	REAL300000482567	0	39	-2.0	-95.44	352.83	4.32	-91.12
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1OC	REAL300000482568	1	39	-2.0	-93.58	359.87	4.65	-88.93
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1OC	REAL300000482569	1	42	-2.0	-102.05	376.82	5.45	-96.60
COCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1OC	REAL300000482570	1	39	-2.0	-97.50	358.19	4.34	-93.16
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1OC	REAL300000482571	0	41	-2.0	-93.51	375.57	4.92	-88.59
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1OC	REAL300000482572	0	40	-2.0	-108.99	357.09	1.96	-107.03
COCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1OC	REAL300000482572	1	40	-2.0	-105.45	346.10	2.85	-102.60
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1OC	REAL300000482573	1	42	-2.0	-99.91	369.54	5.03	-94.88
COCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1OC	REAL300000482574	1	42	-2.0	-104.70	357.44	4.89	-99.81
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1OC	REAL300000482575	1	42	-2.0	-107.44	372.21	4.90	-102.54
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1OC	REAL300000482576	1	42	-2.0	-96.32	362.78	5.02	-91.30
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000482577	1	45	-2.0	-113.22	384.18	5.42	-107.80
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1OC	REAL300000482578	0	41	-2.0	-106.78	373.93	5.34	-101.44
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1OC	REAL300000482579	0	39	-2.0	-97.57	359.13	4.37	-93.20
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1OC	REAL300000482580	1	45	-2.0	-108.83	381.85	5.64	-103.19
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1OC	REAL300000482581	0	42	-2.0	-108.48	372.69	4.95	-103.53
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1OC	REAL300000482582	0	42	-2.0	-106.36	379.14	5.39	-100.97
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1OC	REAL300000482583	0	42	-2.0	-113.34	372.39	4.94	-108.40
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(COC)C(OC)=C2)C=C1C(=O)[O-]	REAL300000482584	1	45	-2.0	-110.62	381.62	5.44	-105.18
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=C1OC	REAL300000482585	1	46	-2.0	-110.60	397.84	4.38	-106.22
COCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1OC	REAL300000482586	1	42	-2.0	-98.78	377.91	5.51	-93.27
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1OC	REAL300000482587	1	42	-2.0	-106.27	378.60	5.21	-101.06
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(COC)C(OC)=C2)C=C1C(=O)[O-]	REAL300000482588	0	43	-2.0	-108.31	375.38	4.46	-103.85
COCC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000482589	1	42	-2.0	-103.16	381.11	5.32	-97.84
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1OC	REAL300000482590	1	42	-2.0	-96.18	363.38	4.79	-91.39
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1OC	REAL300000482591	1	42	-2.0	-107.56	366.91	5.09	-102.47
COCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1OC	REAL300000482592	0	41	-2.0	-115.66	371.10	6.10	-109.56
COCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1OC	REAL300000482593	0	39	-2.0	-112.60	351.03	4.28	-108.32
COCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000482594	1	42	-2.0	-101.23	372.31	4.93	-96.30
COCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1OC	REAL300000482595	0	38	-2.0	-106.10	344.36	2.30	-103.80
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1OC	REAL300000482596	0	43	-2.0	-100.44	375.58	4.04	-96.40
COCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1OC	REAL300000482597	0	36	-2.0	-96.33	347.52	3.22	-93.11
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1OC	REAL300000482598	1	46	-2.0	-102.87	393.50	6.14	-96.73
COCC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1OC	REAL300000482599	1	46	-2.0	-105.99	392.81	6.14	-99.85
CCC1=C(S(=O)(=O)[N-]C2=CC=C(COC)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000482600	0	42	-2.0	-102.54	369.51	4.23	-98.31
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000482601	1	38	-2.0	-104.15	349.32	6.13	-98.02
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000482603	1	38	-2.0	-106.52	344.77	6.09	-100.43
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300000482604	0	42	-2.0	-112.81	372.92	5.90	-106.91
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000482605	1	42	-2.0	-94.16	376.23	7.39	-86.77
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1F	REAL300000482607	0	38	-2.0	-103.03	357.84	6.67	-96.36
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000482608	1	38	-2.0	-102.46	357.28	6.49	-95.97
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000482609	1	44	-2.0	-104.75	377.45	7.44	-97.31
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000482610	0	38	-2.0	-104.41	350.25	6.16	-98.25
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000482611	1	44	-2.0	-93.31	388.35	7.68	-85.63
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000482612	0	35	-2.0	-100.85	337.96	5.11	-95.74
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000482613	1	41	-2.0	-108.63	360.21	6.88	-101.75
CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000482615	1	39	-2.0	-104.87	351.42	5.45	-99.42
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000482617	0	38	-2.0	-92.89	353.89	5.78	-87.11
CCCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000482619	0	35	-2.0	-102.32	336.42	5.13	-97.19
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1F	REAL300000482621	1	47	-2.0	-110.90	398.67	8.10	-102.80
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1F	REAL300000482622	1	44	-2.0	-107.41	374.92	7.82	-99.59
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1F	REAL300000482623	0	45	-2.0	-112.31	395.21	6.66	-105.65
CCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000482624	0	41	-2.0	-107.78	379.90	6.52	-101.26
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000482624	1	40	-3.0	-180.32	373.18	6.66	-173.66
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1F	REAL300000482625	1	45	-2.0	-106.67	389.04	7.99	-98.68
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000482626	0	38	-2.0	-101.23	347.78	5.23	-96.00
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000482627	0	42	-2.0	-103.48	373.76	5.19	-98.29
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1F	REAL300000482629	1	41	-2.0	-93.71	365.48	6.92	-86.79
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000482631	1	38	-2.0	-104.95	353.37	5.99	-98.96
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1F	REAL300000482632	0	38	-2.0	-91.82	357.82	6.66	-85.16
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000482633	1	38	-2.0	-93.76	349.30	6.14	-87.62
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000482634	0	35	-2.0	-95.82	337.05	5.23	-90.59
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000482635	1	38	-2.0	-97.44	351.18	6.16	-91.28
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1F	REAL300000482636	0	41	-2.0	-100.19	370.54	6.80	-93.39
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000482637	0	38	-2.0	-93.39	350.24	6.17	-87.22
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000482638	1	38	-2.0	-91.76	357.27	6.50	-85.26
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000482639	1	38	-2.0	-95.67	355.59	6.19	-89.48
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1F	REAL300000482640	1	40	-2.0	-91.61	372.96	6.76	-84.85
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000482641	0	39	-2.0	-107.80	354.49	3.80	-104.00
CCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000482641	1	39	-2.0	-102.75	353.58	4.68	-98.07
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000482642	1	41	-2.0	-97.72	366.95	6.87	-90.85
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000482643	1	41	-2.0	-102.13	354.84	6.74	-95.39
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000482644	1	41	-2.0	-105.44	369.62	6.75	-98.69
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300000482647	0	40	-2.0	-104.92	371.33	7.18	-97.74
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1F	REAL300000482648	0	38	-2.0	-95.86	356.53	6.23	-89.63
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1F	REAL300000482650	0	41	-2.0	-105.43	366.25	6.70	-98.73
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1F	REAL300000482651	0	41	-2.0	-107.22	369.80	6.79	-100.43
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=C1F	REAL300000482652	1	44	-2.0	-108.25	379.00	7.28	-100.97
CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1F	REAL300000482654	1	42	-2.0	-106.11	372.80	6.32	-99.79
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1F	REAL300000482657	0	40	-2.0	-112.86	368.50	7.95	-104.91
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000482658	0	38	-2.0	-106.53	348.43	6.13	-100.40
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000482659	1	41	-2.0	-99.05	369.71	6.78	-92.27
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000482660	0	37	-2.0	-98.74	341.76	4.15	-94.59
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000482661	0	42	-2.0	-94.26	372.97	5.89	-88.37
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000482662	0	35	-2.0	-94.72	344.93	5.08	-89.64
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1F	REAL300000482663	1	45	-2.0	-96.37	390.89	7.99	-88.38
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1F	REAL300000482664	1	45	-2.0	-103.14	390.21	7.99	-95.15
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1F	REAL300000482665	0	41	-2.0	-101.28	366.91	6.08	-95.20
CC1CC(=O)N(C)C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000482668	1	42	-2.0	-105.59	362.45	6.41	-99.18
CC1CC(=O)N(C)C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000482670	0	42	-2.0	-103.03	367.92	6.48	-96.55
CC1CC(=O)N(C)C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000482671	0	39	-2.0	-100.06	355.62	5.43	-94.63
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C(C)CC(=O)N2C	REAL300000482672	1	45	-2.0	-107.04	377.86	7.20	-99.84
CC1CC(=O)N(C)C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C21	REAL300000482673	1	43	-2.0	-104.07	369.08	5.76	-98.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(C)CC(=O)N3C)=C1	REAL300000482674	0	42	-2.0	-96.37	371.54	6.10	-90.27
CC1CC(=O)N(C)C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000482675	0	39	-2.0	-101.55	354.09	5.45	-96.10
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(C)CC(=O)N3C)C=C(C(=O)[O-])O1	REAL300000482676	0	42	-2.0	-100.15	365.45	5.55	-94.60
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(C)CC(=O)N3C)C=C(C(=O)[O-])S1	REAL300000482677	1	42	-2.0	-103.50	371.04	6.31	-97.19
CC1CC(=O)N(C)C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000482678	1	42	-2.0	-93.14	366.96	6.46	-86.68
CC1CC(=O)N(C)C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000482679	0	39	-2.0	-95.19	354.71	5.55	-89.64
CC1CC(=O)N(C)C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000482680	1	42	-2.0	-96.53	368.85	6.48	-90.05
CC1CC(=O)N(C)C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000482681	0	42	-2.0	-92.86	367.90	6.49	-86.37
CC1CC(=O)N(C)C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000482682	0	43	-2.0	-106.09	372.15	4.13	-101.96
CC1CC(=O)N(C)C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000482682	1	43	-2.0	-104.58	361.15	5.02	-99.56
CC1CC(=O)N(C)C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000482683	1	45	-2.0	-97.18	384.28	7.22	-89.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C(C)CC(=O)N2C	REAL300000482684	1	45	-2.0	-101.63	372.46	7.04	-94.59
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(C)CC(=O)N3C)C=C1C(=O)[O-]	REAL300000482686	1	46	-2.0	-105.30	390.45	6.63	-98.67
CC1CC(=O)N(C)C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000482688	0	42	-2.0	-109.28	366.04	6.44	-102.84
CC1CC(=O)N(C)C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000482689	0	41	-2.0	-103.21	358.67	4.54	-98.67
CC1CC(=O)N(C)C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000482690	0	39	-2.0	-93.93	362.57	5.39	-88.54
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(C)CC(=O)N3C)C=C(C(=O)[O-])O1	REAL300000482691	0	45	-2.0	-100.11	384.56	6.40	-93.71
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1	REAL300000482692	0	36	-2.0	-87.91	346.34	1.94	-85.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CC=C1F	REAL300000482693	0	29	-2.0	-104.46	294.42	3.38	-101.08
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NSN=C21	REAL300000482694	0	37	-2.0	-104.53	349.51	4.44	-100.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1	REAL300000482695	0	29	-2.0	-94.64	289.86	3.36	-91.28
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1	REAL300000482696	0	29	-2.0	-106.88	289.89	3.35	-103.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NSN=C21	REAL300000482697	0	33	-2.0	-111.11	318.03	3.15	-107.96
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1	REAL300000482698	0	33	-2.0	-93.96	321.34	4.65	-89.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000482699	0	32	-2.0	-107.85	305.91	3.89	-103.96
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1	REAL300000482700	0	29	-2.0	-101.70	302.96	3.93	-97.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CC=C1Cl	REAL300000482701	0	29	-2.0	-102.71	302.39	3.75	-98.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1C	REAL300000482702	0	35	-2.0	-108.39	322.99	4.69	-103.70
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1	REAL300000482703	0	29	-2.0	-103.57	295.36	3.42	-100.15
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1	REAL300000482704	0	35	-2.0	-93.05	333.45	4.94	-88.11
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1	REAL300000482705	0	26	-2.0	-101.26	283.07	2.38	-98.88
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NSN=C21	REAL300000482706	0	32	-2.0	-106.56	305.32	4.15	-102.41
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1	REAL300000482707	0	33	-2.0	-92.61	320.95	3.64	-88.97
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000482708	0	30	-2.0	-105.09	296.53	2.71	-102.38
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NSN=C21	REAL300000482709	0	33	-2.0	-106.81	314.09	2.18	-104.63
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1	REAL300000482710	0	29	-2.0	-97.48	299.02	3.04	-94.44
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000482711	0	35	-2.0	-107.77	321.33	4.68	-103.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CS1	REAL300000482712	0	26	-2.0	-102.59	281.54	2.41	-100.18
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CC(C(=O)[O-])=C1OC	REAL300000482713	0	37	-2.0	-107.33	348.21	3.17	-104.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000482714	0	33	-2.0	-112.52	317.16	3.42	-109.10
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1	REAL300000482715	0	39	-2.0	-110.38	345.13	5.98	-104.40
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NSN=C21	REAL300000482716	0	38	-2.0	-108.55	343.79	5.38	-103.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NSN=C21	REAL300000482717	0	35	-2.0	-104.46	320.01	5.09	-99.37
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NSN=C21	REAL300000482718	0	36	-2.0	-112.16	340.32	3.92	-108.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CC(C(=O)[O-])=C1	REAL300000482719	0	31	-3.0	-182.35	318.29	3.92	-178.43
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1	REAL300000482720	0	36	-2.0	-110.81	334.13	5.25	-105.56
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C(C(=O)[O-])O1	REAL300000482721	0	29	-2.0	-100.29	292.89	2.50	-97.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CC2=C1OCCO2	REAL300000482722	0	35	-2.0	-111.51	332.05	3.13	-108.38
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1	REAL300000482723	0	33	-2.0	-107.77	318.85	2.44	-105.33
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=NSN=C43)C=C2C1	REAL300000482724	0	37	-2.0	-93.15	342.80	3.96	-89.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C(Cl)C=C1F	REAL300000482725	0	29	-2.0	-98.52	307.48	3.96	-94.56
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1Cl	REAL300000482726	0	33	-2.0	-91.22	336.98	4.18	-87.04
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CC=C1OCC(=O)[O-]	REAL300000482727	0	36	-2.0	-93.09	341.04	4.35	-88.74
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NSN=C21	REAL300000482728	0	32	-2.0	-97.52	310.60	4.18	-93.34
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1F	REAL300000482729	0	33	-2.0	-92.24	327.18	3.70	-88.54
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000482730	0	36	-2.0	-113.17	339.02	4.33	-108.84
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C(C(=O)[O-])S1	REAL300000482731	0	29	-2.0	-103.36	298.51	3.26	-100.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C(Cl)=C1	REAL300000482732	0	29	-2.0	-91.99	302.94	3.92	-88.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1F	REAL300000482733	0	29	-2.0	-94.22	294.40	3.39	-90.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)S1	REAL300000482734	0	26	-2.0	-96.34	282.14	2.48	-93.86
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1	REAL300000482735	0	29	-2.0	-97.88	296.30	3.42	-94.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1F	REAL300000482736	0	32	-2.0	-104.80	315.63	4.05	-100.75
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C(Cl)C=C1C(=O)[O-]	REAL300000482737	0	33	-2.0	-96.74	330.20	3.98	-92.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C(F)=C1	REAL300000482738	0	29	-2.0	-94.11	295.35	3.43	-90.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1Cl	REAL300000482739	0	29	-2.0	-92.20	302.37	3.76	-88.44
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NSN=C21	REAL300000482740	0	32	-2.0	-99.07	319.33	4.57	-94.50
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1	REAL300000482741	0	37	-2.0	-90.73	353.62	4.77	-85.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CC(F)=C1F	REAL300000482742	0	29	-2.0	-96.13	300.70	3.45	-92.68
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1	REAL300000482743	0	31	-2.0	-92.05	318.08	4.02	-88.03
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1	REAL300000482744	0	30	-2.0	-105.16	299.60	1.06	-104.10
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1	REAL300000482745	0	32	-2.0	-97.58	312.05	4.14	-93.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CC(Cl)=C1F	REAL300000482746	0	29	-2.0	-97.56	310.59	3.89	-93.67
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=NSN=C21	REAL300000482747	0	32	-2.0	-103.41	299.92	3.99	-99.42
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CC(C(=O)[O-])=C1F	REAL300000482748	0	32	-2.0	-105.62	314.72	4.01	-101.61
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=NSN=C21	REAL300000482749	0	32	-2.0	-94.48	305.30	4.13	-90.35
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CC(C(=O)[O-])=C1C	REAL300000482750	0	35	-2.0	-109.68	322.76	4.42	-105.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CC=C1[N+](=O)[O-]	REAL300000482751	0	31	-2.0	-105.35	316.44	4.44	-100.91
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1	REAL300000482752	0	29	-2.0	-95.54	301.62	3.48	-92.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C(C)=C1C(=O)[O-]	REAL300000482753	0	35	-2.0	-107.60	324.36	4.75	-102.85
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000482754	0	32	-2.0	-104.47	311.36	3.95	-100.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1Cl	REAL300000482755	0	32	-2.0	-103.27	321.67	4.50	-98.77
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1	REAL300000482756	0	32	-2.0	-112.23	314.90	4.05	-108.18
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000482757	0	35	-2.0	-108.51	324.12	4.54	-103.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1CC(=O)[O-]	REAL300000482758	0	36	-2.0	-109.56	340.35	3.49	-106.07
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=NSN=C21	REAL300000482759	0	32	-2.0	-96.59	316.68	4.50	-92.09
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CC(C(=O)[O-])=C1Cl	REAL300000482760	0	32	-2.0	-104.35	321.11	4.31	-100.04
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000482761	0	33	-2.0	-106.38	317.91	3.58	-102.80
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C(C)=C1CC(=O)[O-]	REAL300000482762	0	41	-2.0	-105.33	354.80	6.20	-99.13
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000482763	0	32	-2.0	-100.12	319.75	4.32	-95.80
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C(C(=O)[O-])S1	REAL300000482764	0	38	-2.0	-102.56	339.32	5.49	-97.07
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000482765	0	33	-2.0	-106.98	330.21	3.99	-102.99
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CC=C1C(=O)[O-]	REAL300000482766	0	32	-2.0	-96.23	309.94	4.00	-92.23
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C([N+](=O)[O-])=C1	REAL300000482767	0	34	-2.0	-98.41	333.14	5.56	-92.85
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NSN=C21	REAL300000482768	0	32	-2.0	-104.03	309.84	4.18	-99.85
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1[N+](=O)[O-]	REAL300000482769	0	31	-2.0	-114.58	313.62	5.21	-109.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1F	REAL300000482770	0	29	-2.0	-111.69	293.52	3.38	-108.31
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000482771	0	32	-2.0	-98.49	311.05	3.93	-94.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=CC2=CC=CC=C21	REAL300000482772	0	35	-2.0	-114.96	330.92	5.48	-109.48
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C1	REAL300000482773	0	28	-2.0	-104.60	286.10	1.49	-103.11
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=NSN=C21	REAL300000482774	0	33	-2.0	-98.39	318.09	3.16	-95.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)=C(Cl)O1	REAL300000482775	0	26	-2.0	-94.54	289.99	2.34	-92.20
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=NSN=C43)C=C2)CC1	REAL300000482776	0	36	-2.0	-100.58	336.01	5.24	-95.34
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=NSN=C43)C=C2C1	REAL300000482777	0	36	-2.0	-104.15	333.98	5.22	-98.93
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=NSN=C32)C=C(C(=O)[O-])O1	REAL300000482778	0	32	-2.0	-99.78	312.01	3.35	-96.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=CC=C1F	REAL300000482779	1	39	-2.0	-101.40	351.22	4.72	-96.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1	REAL300000482780	1	39	-2.0	-91.00	346.68	4.70	-86.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=CC=C1	REAL300000482781	1	39	-2.0	-101.93	346.70	4.69	-97.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC(=O)N1	REAL300000482782	0	43	-2.0	-107.80	374.80	4.49	-103.31
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1	REAL300000482783	1	43	-2.0	-90.88	378.11	5.98	-84.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000482784	1	42	-2.0	-104.13	366.76	5.34	-98.79
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=C1	REAL300000482785	0	39	-2.0	-98.47	359.76	5.25	-93.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=CC=C1Cl	REAL300000482786	1	39	-2.0	-99.58	359.19	5.08	-94.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=C1C	REAL300000482787	1	45	-2.0	-105.47	379.78	6.02	-99.45
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=C1	REAL300000482788	0	39	-2.0	-99.92	352.17	4.74	-95.18
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1	REAL300000482789	1	45	-2.0	-89.93	390.27	6.27	-83.66
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=C1	REAL300000482790	0	36	-2.0	-96.85	339.86	3.70	-93.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC(=O)N1	REAL300000482791	1	42	-2.0	-103.75	362.10	5.46	-98.29
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1	REAL300000482792	1	43	-2.0	-89.36	377.73	4.97	-84.39
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000482793	0	40	-2.0	-100.64	353.34	4.04	-96.60
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC(=O)N1	REAL300000482794	1	43	-2.0	-104.36	370.46	3.52	-100.84
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=C1	REAL300000482795	0	39	-2.0	-94.01	355.78	4.37	-89.64
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000482796	1	45	-2.0	-104.77	378.13	6.01	-98.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=CS1	REAL300000482797	0	36	-2.0	-99.39	338.35	3.72	-95.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000482798	1	43	-2.0	-109.45	373.99	4.76	-104.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC(=O)N1	REAL300000482799	1	45	-2.0	-102.23	373.27	6.27	-95.96
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C(C(=O)[O-])O1	REAL300000482800	0	39	-2.0	-97.29	349.69	3.82	-93.47
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=C1	REAL300000482801	0	43	-2.0	-103.99	375.66	3.78	-100.21
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC(=O)N1	REAL300000482802	1	42	-2.0	-94.70	367.38	5.51	-89.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C(C(=O)[O-])S1	REAL300000482803	0	39	-2.0	-100.30	356.36	4.57	-95.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C(Cl)=C1	REAL300000482804	0	39	-2.0	-88.56	359.74	5.24	-83.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1F	REAL300000482805	1	39	-2.0	-90.57	351.22	4.73	-85.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)S1	REAL300000482806	0	36	-2.0	-92.87	338.94	3.81	-89.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=CC(F)=C1	REAL300000482807	1	39	-2.0	-94.57	353.10	4.76	-89.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=C1F	REAL300000482808	0	42	-2.0	-101.30	372.43	5.39	-95.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C(F)=C1	REAL300000482809	0	39	-2.0	-90.30	352.15	4.75	-85.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1Cl	REAL300000482810	1	39	-2.0	-88.62	359.19	5.09	-83.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=CC(F)=C1F	REAL300000482811	1	39	-2.0	-91.77	357.52	4.78	-86.99
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=C1	REAL300000482812	0	40	-2.0	-103.07	356.41	2.39	-100.68
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2C2CCC(=O)N2)=C1	REAL300000482812	1	40	-2.0	-107.80	349.89	2.73	-105.07
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1	REAL300000482813	1	42	-2.0	-94.59	368.87	5.47	-89.12
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC(=O)N1	REAL300000482814	1	42	-2.0	-98.95	356.76	5.33	-93.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=CC(C(=O)[O-])=C1F	REAL300000482815	1	42	-2.0	-101.04	371.53	5.34	-95.70
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC(=O)N1	REAL300000482816	1	42	-2.0	-91.19	362.09	5.46	-85.73
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=CC(C(=O)[O-])=C1C	REAL300000482817	1	45	-2.0	-106.45	379.58	5.75	-100.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=C1	REAL300000482818	0	39	-2.0	-91.95	358.40	4.82	-87.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C(C)=C1C(=O)[O-]	REAL300000482819	1	45	-2.0	-103.03	381.16	6.08	-96.95
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000482820	0	42	-2.0	-101.01	368.17	5.29	-95.72
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=C1	REAL300000482821	0	42	-2.0	-107.55	371.70	5.38	-102.17
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000482822	1	45	-2.0	-105.21	380.92	5.88	-99.33
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000482823	0	43	-2.0	-101.81	374.72	4.90	-96.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=CC=C1C(=O)[O-]	REAL300000482824	1	42	-2.0	-90.99	362.70	5.23	-85.76
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC(=O)N1	REAL300000482825	1	42	-2.0	-101.44	366.64	5.50	-95.94
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=CC=C1	REAL300000482826	0	39	-2.0	-106.80	350.33	4.72	-102.08
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C1C(=O)[O-]	REAL300000482827	1	42	-2.0	-93.86	367.85	5.26	-88.60
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=C1	REAL300000482828	0	38	-2.0	-99.82	342.91	2.81	-97.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC(=O)N1	REAL300000482829	0	43	-2.0	-94.70	374.89	4.48	-90.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)=C(Cl)O1	REAL300000482830	0	36	-2.0	-91.26	346.79	3.66	-87.60
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC(=O)N2)C=C(C(=O)[O-])O1	REAL300000482831	0	42	-2.0	-97.08	367.16	4.62	-92.46
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482832	0	43	-2.0	-111.58	391.77	3.91	-107.67
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=C1	REAL300000482833	0	43	-2.0	-107.34	391.74	3.90	-103.44
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482834	0	43	-2.0	-122.34	389.03	3.81	-118.53
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482835	0	44	-2.0	-104.47	384.01	2.47	-102.00
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482836	0	45	-2.0	-115.62	392.33	4.19	-111.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C(OCCCCO)=C1	REAL300000482838	0	42	-2.0	-111.31	387.66	4.04	-107.27
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482839	0	48	-2.0	-115.65	407.83	4.96	-110.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=C1C	REAL300000482840	0	48	-2.0	-116.48	409.35	4.73	-111.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C(C)=C1	REAL300000482841	0	48	-2.0	-115.05	407.83	4.94	-110.11
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482842	0	46	-2.0	-121.80	399.19	3.30	-118.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C(OCCCCO)=C1	REAL300000482843	0	42	-2.0	-116.02	384.07	4.09	-111.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C(OCCCCO)=C1	REAL300000482844	0	39	-2.0	-112.71	362.86	2.51	-110.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=C1	REAL300000482845	0	46	-2.0	-112.60	400.42	2.81	-109.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=C1	REAL300000482846	0	45	-2.0	-115.01	392.34	4.19	-110.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C(OCCCCO)=C1	REAL300000482847	0	42	-2.0	-111.46	377.34	3.59	-107.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C(OCCCCO)=C1	REAL300000482848	0	42	-2.0	-108.29	387.66	4.03	-104.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C(OCCCCO)=C1	REAL300000482849	0	42	-2.0	-114.96	370.92	3.51	-111.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)S1	REAL300000482851	0	42	-2.0	-113.77	384.75	3.32	-110.45
COC(=O)CCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482852	1	44	-2.0	-109.89	389.61	2.06	-107.83
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482853	0	48	-2.0	-113.03	407.63	2.54	-110.49
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=C1	REAL300000482854	0	48	-2.0	-114.45	413.82	4.95	-109.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C(OCCCCO)=C1	REAL300000482855	0	42	-2.0	-107.61	377.33	3.58	-104.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C(OCCCCO)=C1	REAL300000482856	0	42	-2.0	-118.93	376.43	3.58	-115.35
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482857	0	45	-2.0	-107.59	392.82	4.34	-103.25
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=N1	REAL300000482858	0	42	-2.0	-111.40	375.48	1.23	-110.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=C1F	REAL300000482860	0	45	-2.0	-111.72	397.65	4.23	-107.49
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482861	0	45	-2.0	-119.16	397.84	4.25	-114.91
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482862	0	45	-2.0	-111.60	392.82	4.36	-107.24
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482863	0	46	-2.0	-117.29	402.12	1.89	-115.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C(OCCCCO)=C1	REAL300000482864	0	39	-2.0	-108.78	352.51	-0.08	-108.86
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C(OCCCCO)=C1	REAL300000482865	0	41	-2.0	-105.30	372.34	1.81	-103.49
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482866	0	42	-2.0	-121.89	374.95	2.61	-119.28
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=N1	REAL300000482867	0	42	-2.0	-103.82	386.88	2.05	-101.77
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=CN1C	REAL300000482868	0	45	-2.0	-124.10	394.63	2.40	-121.70
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=N1	REAL300000482869	0	45	-2.0	-111.61	397.01	2.08	-109.53
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482870	0	42	-2.0	-109.49	371.32	0.56	-108.93
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482871	0	46	-2.0	-116.55	400.43	2.82	-113.73
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482872	0	45	-2.0	-114.93	386.42	4.27	-110.66
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=N1	REAL300000482874	0	42	-2.0	-120.09	375.95	1.04	-119.05
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482875	0	42	-2.0	-105.90	371.17	1.15	-104.75
COCCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482876	0	42	-2.0	-108.18	367.82	0.30	-107.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)CC2CCCO2)C(OCCCCO)=C1	REAL300000482877	0	46	-2.0	-117.46	390.28	1.72	-115.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)CC2CCCCO2)C(OCCCCO)=C1	REAL300000482878	0	49	-2.0	-115.86	407.79	2.77	-113.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C(F)=C1	REAL300000482880	0	45	-2.0	-118.50	397.84	4.25	-114.25
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=CC=C1F	REAL300000482881	0	45	-2.0	-108.14	397.64	4.22	-103.92
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C(OCCCCO)=C1	REAL300000482882	0	39	-2.0	-120.08	352.23	0.92	-119.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)SC=C1	REAL300000482884	0	42	-2.0	-114.01	379.16	3.33	-110.68
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=N1	REAL300000482888	0	48	-2.0	-111.62	415.69	2.60	-109.02
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=CN1	REAL300000482890	0	48	-2.0	-121.27	414.90	1.97	-119.30
CC(C)OCCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482893	0	48	-2.0	-108.73	409.95	2.01	-106.72
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482894	0	45	-2.0	-110.81	391.73	4.32	-106.49
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482895	0	48	-2.0	-115.92	413.82	4.95	-110.97
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482896	0	45	-2.0	-111.36	398.76	4.25	-107.11
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)S1	REAL300000482899	0	41	-2.0	-110.25	379.46	1.34	-108.91
COCCOCCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482900	0	49	-2.0	-110.99	423.30	0.53	-110.46
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482902	0	48	-2.0	-121.11	416.37	3.91	-117.20
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482904	0	48	-2.0	-121.08	418.25	4.27	-116.81
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1F	REAL300000482905	0	45	-2.0	-119.95	396.74	4.23	-115.72
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C(C)O1	REAL300000482907	0	45	-2.0	-112.30	393.88	3.09	-109.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)O1	REAL300000482908	0	42	-2.0	-113.26	375.53	2.33	-110.93
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482909	0	45	-2.0	-114.71	404.57	3.94	-110.77
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)N=C1C	REAL300000482910	0	48	-2.0	-123.16	416.54	3.30	-119.86
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C(OCCCCO)=C1	REAL300000482913	0	39	-2.0	-112.20	353.61	1.52	-110.68
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482914	0	41	-2.0	-101.91	365.34	-0.07	-101.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C(OCCCCO)=C1	REAL300000482915	0	46	-2.0	-116.70	399.06	2.95	-113.75
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482916	0	48	-2.0	-113.63	401.15	5.23	-108.40
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482919	0	45	-2.0	-110.92	395.50	1.00	-109.92
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C(N)=NO1	REAL300000482921	0	43	-2.0	-104.25	378.47	0.88	-103.37
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)S1	REAL300000482923	0	40	-2.0	-105.32	383.44	3.08	-102.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=N1	REAL300000482924	0	44	-2.0	-111.54	387.53	2.34	-109.20
COC(C)CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482925	0	45	-2.0	-113.90	386.48	1.47	-112.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)N(C)N=C1	REAL300000482927	0	45	-2.0	-106.84	387.80	1.98	-104.86
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)O1	REAL300000482928	0	40	-2.0	-105.71	374.86	2.05	-103.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C(OCCCCO)=C1	REAL300000482929	0	39	-2.0	-110.83	362.03	2.43	-108.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC=C2)C(OCCCCO)=C1	REAL300000482930	0	39	-2.0	-111.05	353.47	1.40	-109.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=N1	REAL300000482931	0	45	-2.0	-107.67	398.11	0.20	-107.47
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482932	0	42	-2.0	-112.75	384.50	3.18	-109.57
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C(OCCCCO)=C1	REAL300000482933	0	39	-2.0	-109.65	369.21	0.33	-109.32
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482934	0	41	-2.0	-106.63	379.43	1.82	-104.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC(=O)S2)C(OCCCCO)=C1	REAL300000482935	1	39	-2.0	-106.62	367.77	-0.59	-107.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C(OCCCCO)=C1	REAL300000482936	0	39	-2.0	-115.72	369.21	2.55	-113.17
COCC1(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)CC1	REAL300000482937	1	46	-2.0	-118.25	392.47	2.52	-115.73
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482938	0	42	-2.0	-137.41	376.28	-0.55	-137.96
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C(OCCCCO)=C1	REAL300000482939	0	39	-2.0	-114.09	352.55	0.10	-113.99
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)S1	REAL300000482940	0	45	-2.0	-115.11	401.05	4.14	-110.97
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=NN1C	REAL300000482943	0	45	-2.0	-112.65	391.60	1.75	-110.90
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=C1	REAL300000482944	0	46	-2.0	-114.79	402.01	4.60	-110.19
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482945	0	45	-2.0	-112.25	394.31	1.86	-110.39
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482946	0	42	-2.0	-105.01	386.79	2.12	-102.89
CCC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO)OC	REAL300000482948	0	48	-2.0	-113.33	404.70	1.81	-111.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)CCOCC2CC2)C(OCCCCO)=C1	REAL300000482949	0	49	-2.0	-108.57	421.35	2.86	-105.71
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO)C1CC1	REAL300000482950	0	49	-2.0	-113.34	412.53	2.89	-110.45
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482951	0	41	-2.0	-104.38	367.88	1.48	-102.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C(OCCCCO)=C1	REAL300000482952	0	41	-2.0	-116.08	371.44	1.71	-114.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C(OCCCCO)=C1	REAL300000482955	0	41	-2.0	-104.30	372.33	1.66	-102.64
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=CS1	REAL300000482956	0	40	-2.0	-117.46	381.34	2.92	-114.54
COC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO)C(C)C	REAL300000482958	0	51	-2.0	-113.50	420.09	2.44	-111.06
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)N1C	REAL300000482959	0	45	-2.0	-111.09	390.08	2.58	-108.51
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C(OCCCCO)=C1	REAL300000482961	0	43	-2.0	-112.72	387.11	1.27	-111.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])C(OCCCCO)=C1	REAL300000482961	1	42	-3.0	-194.62	383.55	2.14	-192.48
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482962	0	48	-2.0	-112.28	413.79	2.67	-109.61
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=N1	REAL300000482963	0	42	-2.0	-106.62	376.14	0.86	-105.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C(OCCCCO)=C1	REAL300000482964	0	38	-2.0	-106.43	357.67	1.21	-105.22
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)N=N1	REAL300000482966	0	41	-2.0	-115.26	369.72	-0.17	-115.43
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482967	0	45	-2.0	-110.46	393.83	4.21	-106.25
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482968	0	44	-2.0	-101.24	386.16	0.84	-100.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=CN=C1N	REAL300000482970	0	46	-2.0	-113.66	398.94	1.24	-112.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)N=CN1	REAL300000482971	0	42	-2.0	-121.24	370.04	1.64	-119.60
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482973	0	48	-2.0	-114.75	401.06	5.20	-109.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C(OCCCCO)=C1	REAL300000482974	0	45	-2.0	-114.09	398.92	4.33	-109.76
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482975	0	45	-2.0	-106.77	393.13	1.74	-105.03
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1C	REAL300000482976	0	48	-2.0	-115.59	403.42	4.82	-110.77
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)O1	REAL300000482978	0	45	-2.0	-113.24	397.01	3.11	-110.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C(OCCCCO)=C1	REAL300000482979	0	45	-2.0	-117.14	391.50	4.49	-112.65
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=N1	REAL300000482980	0	44	-2.0	-111.05	391.64	0.38	-110.67
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C(OCCCCO)=C1	REAL300000482981	0	39	-2.0	-107.26	370.68	2.13	-105.13
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482982	0	42	-2.0	-112.50	375.52	2.18	-110.32
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)OC=C1	REAL300000482983	0	40	-2.0	-113.86	375.09	1.98	-111.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(OCCCCO)=C1	REAL300000482984	0	39	-2.0	-110.30	369.70	2.01	-108.29
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)C=CO1	REAL300000482985	0	40	-2.0	-113.58	373.89	1.92	-111.66
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)SC=C1	REAL300000482986	0	40	-2.0	-116.36	382.98	2.85	-113.51
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCCCO	REAL300000482987	0	48	-2.0	-107.41	412.65	2.78	-104.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C(OCCCCO)=C1	REAL300000482989	0	43	-2.0	-114.81	381.95	0.67	-114.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C(OCCCCO)=C1	REAL300000482990	0	38	-2.0	-104.76	356.58	1.11	-103.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C(OCCCCO)=C1	REAL300000482991	0	38	-2.0	-109.03	357.52	0.63	-108.40
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCCCO)=C1	REAL300000482992	0	45	-2.0	-119.16	397.84	4.25	-114.91
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=C(F)C=CC=C3F)C=C2F)C=C1	REAL300000482993	0	35	-2.0	-110.53	338.08	6.69	-103.84
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)N=C3)C=C2F)C=C1	REAL300000482994	0	34	-2.0	-97.03	341.42	5.04	-91.99
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000482995	1	36	-2.0	-101.97	350.41	6.79	-95.18
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=C1	REAL300000482996	1	36	-2.0	-98.42	350.38	6.80	-91.62
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000482997	0	36	-2.0	-105.35	346.52	6.51	-98.84
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000482998	0	38	-2.0	-100.67	345.82	4.23	-96.44
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000482999	0	37	-2.0	-97.00	344.49	5.33	-91.67
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(F)=C3)C=C2F)C=C1	REAL300000483000	1	35	-2.0	-96.68	342.29	6.52	-90.16
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483001	1	38	-2.0	-104.65	350.97	7.06	-97.59
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(Cl)=C3)C=C2F)C=C1	REAL300000483003	1	35	-2.0	-101.34	346.29	6.92	-94.42
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483007	0	39	-2.0	-104.47	356.68	6.02	-98.45
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3Cl)C=C2F)C=C1	REAL300000483008	0	35	-2.0	-99.80	341.55	6.78	-93.02
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2F)C=C1	REAL300000483009	0	32	-2.0	-97.19	320.34	5.23	-91.96
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3F)C=C2F)C=C1	REAL300000483012	0	35	-2.0	-95.14	340.32	6.36	-88.78
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(F)=C3)C=C2F)C=C1	REAL300000483013	1	35	-2.0	-101.66	335.97	6.47	-95.19
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(F)=C3)C=C2F)C=C1	REAL300000483014	1	35	-2.0	-96.71	342.38	6.54	-90.17
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C=C3)C=C2F)C=C1	REAL300000483015	1	35	-2.0	-98.76	346.30	6.92	-91.84
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2F)C=C1	REAL300000483016	1	35	-2.0	-104.21	329.56	6.41	-97.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)S1	REAL300000483017	0	35	-2.0	-97.93	342.23	6.03	-91.90
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC=C3F)C=C2F)C=C1	REAL300000483018	0	35	-2.0	-98.02	340.32	6.36	-91.66
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483020	0	41	-2.0	-97.70	366.03	5.30	-92.40
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3F)C=C2F)C=C1	REAL300000483023	0	35	-2.0	-102.34	333.92	6.28	-96.06
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1Cl	REAL300000483025	0	35	-2.0	-104.92	345.89	5.79	-99.13
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=N1	REAL300000483026	0	35	-2.0	-102.68	334.11	4.11	-98.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=C1F	REAL300000483028	1	38	-2.0	-101.78	356.30	7.11	-94.67
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483029	0	38	-2.0	-102.39	355.33	6.95	-95.44
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483030	1	38	-2.0	-96.06	350.30	7.06	-89.00
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483031	0	39	-2.0	-101.22	359.61	4.58	-96.64
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483031	1	39	-2.0	-95.84	358.75	5.41	-90.43
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CNN=C3)C=C2F)C=C1	REAL300000483032	0	32	-2.0	-100.51	311.15	2.80	-97.71
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CN=CC(F)=C3)C=C2F)C=C1	REAL300000483033	0	34	-2.0	-97.12	330.99	4.69	-92.43
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483034	0	35	-2.0	-106.24	332.60	5.32	-100.92
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=N1	REAL300000483035	0	35	-2.0	-96.36	345.50	4.93	-91.43
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(F)=C3F)C=C2F)C=C1	REAL300000483036	0	35	-2.0	-100.56	340.20	6.34	-94.22
CC1=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=CN1C	REAL300000483037	0	38	-2.0	-107.07	351.94	5.12	-101.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=N1	REAL300000483038	0	38	-2.0	-102.71	355.64	4.98	-97.73
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483039	0	35	-2.0	-95.14	328.83	3.27	-91.87
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483040	1	39	-2.0	-105.77	359.07	5.71	-100.06
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=N1	REAL300000483043	0	35	-2.0	-103.89	333.26	3.76	-100.13
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483044	0	35	-2.0	-92.34	328.65	3.86	-88.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C(F)=C1	REAL300000483050	0	38	-2.0	-101.77	355.33	6.96	-94.81
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CNC=N3)C=C2F)C=C1	REAL300000483052	0	32	-2.0	-104.86	309.88	3.60	-101.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)SC=C1	REAL300000483054	0	35	-2.0	-99.40	339.18	5.87	-93.53
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=N1	REAL300000483058	0	41	-2.0	-102.48	374.33	5.50	-96.98
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=CN1	REAL300000483060	0	41	-2.0	-104.31	372.22	4.66	-99.65
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483064	1	38	-2.0	-95.36	349.22	7.03	-88.33
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)S1	REAL300000483065	0	37	-2.0	-96.59	354.93	4.72	-91.87
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483066	1	41	-2.0	-104.70	372.45	7.83	-96.87
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483067	1	38	-2.0	-101.50	357.38	7.14	-94.36
COC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)SC=C1	REAL300000483070	0	36	-2.0	-105.79	350.58	4.50	-101.29
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483071	0	35	-2.0	-90.58	344.44	5.14	-85.44
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)N=C1Cl	REAL300000483072	0	35	-2.0	-101.67	348.60	5.06	-96.61
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)S1	REAL300000483073	0	34	-2.0	-95.51	336.95	4.06	-91.45
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483076	0	41	-2.0	-105.25	374.02	6.61	-98.64
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483078	0	41	-2.0	-105.35	375.90	6.98	-98.37
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1F	REAL300000483079	0	38	-2.0	-103.09	354.21	6.94	-96.15
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C(C)O1	REAL300000483081	0	38	-2.0	-97.20	351.39	5.81	-91.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)O1	REAL300000483082	0	35	-2.0	-98.23	333.01	5.04	-93.19
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483083	0	38	-2.0	-98.69	361.38	6.61	-92.08
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CN=CC(Cl)=C3)C=C2F)C=C1	REAL300000483084	0	34	-2.0	-97.21	341.34	5.10	-92.11
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)N=C1C	REAL300000483085	0	41	-2.0	-106.65	374.02	6.02	-100.63
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)S1	REAL300000483086	0	37	-2.0	-95.01	358.43	4.81	-90.20
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CO3)C=C2F)C=C1	REAL300000483089	0	32	-2.0	-97.46	311.10	4.22	-93.24
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483090	0	34	-2.0	-88.63	321.83	2.69	-85.94
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CN=C4CCCN34)C=C2F)C=C1	REAL300000483091	0	39	-2.0	-101.91	356.55	5.66	-96.25
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483094	0	38	-2.0	-107.63	349.17	7.37	-100.26
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483096	0	38	-2.0	-101.78	354.16	3.88	-97.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C(N)=NO1	REAL300000483098	0	36	-2.0	-96.97	336.00	3.81	-93.16
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)S1	REAL300000483100	0	33	-2.0	-91.35	340.92	5.78	-85.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=N1	REAL300000483101	1	37	-2.0	-102.13	346.16	5.23	-96.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)N(C)N=C1	REAL300000483104	0	38	-2.0	-92.80	345.29	4.69	-88.11
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)O1	REAL300000483105	0	33	-2.0	-92.22	332.34	4.77	-87.45
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CSC=C3)C=C2F)C=C1	REAL300000483106	1	32	-2.0	-100.95	320.68	5.31	-95.64
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=COC=C3)C=C2F)C=C1	REAL300000483107	0	32	-2.0	-101.87	312.10	4.29	-97.58
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=N1	REAL300000483108	1	38	-2.0	-99.04	356.74	3.09	-95.95
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483109	0	35	-2.0	-97.16	341.98	5.89	-91.27
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CNN=C3Cl)C=C2F)C=C1	REAL300000483110	0	32	-2.0	-95.58	326.70	3.03	-92.55
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)N=C3F)C=C2F)C=C1	REAL300000483111	0	34	-2.0	-94.18	335.33	4.34	-89.84
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483112	0	34	-2.0	-92.75	336.91	4.52	-88.23
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=C(F)C=CS3)C=C2F)C=C1	REAL300000483114	0	32	-2.0	-100.34	326.69	5.27	-95.07
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=NC=CN3)C=C2F)C=C1	REAL300000483117	0	32	-2.0	-99.52	310.04	2.81	-96.71
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)S1	REAL300000483118	0	38	-2.0	-99.70	359.86	6.76	-92.94
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=NN1C	REAL300000483121	0	38	-2.0	-97.80	349.06	4.45	-93.35
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483123	0	38	-2.0	-97.54	351.80	4.58	-92.96
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483124	0	35	-2.0	-97.14	345.42	5.01	-92.13
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483131	0	34	-2.0	-91.14	327.17	4.12	-87.02
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CN=C3F)C=C2F)C=C1	REAL300000483132	0	34	-2.0	-100.65	328.92	4.40	-96.25
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)N=C3)C=C2F)C=C1	REAL300000483135	0	34	-2.0	-96.65	330.97	4.56	-92.09
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=CS1	REAL300000483137	0	33	-2.0	-101.32	338.82	5.62	-95.70
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)N1C	REAL300000483143	0	38	-2.0	-98.25	348.55	5.23	-93.02
O=C([O-])C1=NN(C2=CC=C(NS(=O)(=O)C3=CC(F)=CC=C3[O-])C=C2F)C=C1	REAL300000483145	0	36	-2.0	-91.03	343.70	4.83	-86.20
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC=C3O)C=C2F)C=C1	REAL300000483145	1	36	-2.0	-97.59	344.60	3.98	-93.61
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483146	0	41	-2.0	-97.37	371.26	5.38	-91.99
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=N1	REAL300000483147	0	35	-2.0	-98.79	334.78	3.76	-95.03
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483148	0	35	-2.0	-90.27	347.66	2.02	-88.25
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=NS3)C=C2F)C=C1	REAL300000483149	0	31	-2.0	-92.66	315.16	3.93	-88.73
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)N=N1	REAL300000483151	0	34	-2.0	-102.09	327.36	2.55	-99.54
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483152	1	38	-2.0	-100.33	353.15	7.12	-93.21
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483153	0	37	-2.0	-88.98	342.34	3.56	-85.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=CN=C1N	REAL300000483155	1	39	-2.0	-103.87	357.58	4.11	-99.76
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483156	0	35	-2.0	-96.45	345.73	2.09	-94.36
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)N=CN1	REAL300000483157	0	35	-2.0	-106.04	328.80	4.25	-101.79
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CF)C=C3)C=C2F)C=C1	REAL300000483161	1	38	-2.0	-104.08	357.56	7.22	-96.86
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483162	0	38	-2.0	-94.00	351.95	4.37	-89.63
COC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=CS1	REAL300000483164	0	36	-2.0	-101.60	350.65	4.68	-96.92
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)O1	REAL300000483166	0	38	-2.0	-98.04	354.49	5.82	-92.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)S1	REAL300000483167	0	36	-2.0	-95.70	352.21	4.68	-91.02
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CN(CCF)N=C3)C=C2F)C=C1	REAL300000483168	0	38	-2.0	-100.63	362.24	5.10	-95.53
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3CF)C=C2F)C=C1	REAL300000483169	1	38	-2.0	-100.41	350.05	7.14	-93.27
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=N1	REAL300000483170	0	37	-2.0	-97.13	349.27	3.08	-94.05
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)O3)C=C2F)C=C1	REAL300000483171	0	32	-2.0	-93.16	328.16	4.83	-88.33
CC1=COC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483172	0	35	-2.0	-97.63	333.00	4.90	-92.73
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1Cl	REAL300000483173	0	35	-2.0	-94.67	348.27	4.27	-90.40
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)OC=C1	REAL300000483174	0	33	-2.0	-99.47	330.26	4.69	-94.78
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC=C3)C=C2F)C=C1	REAL300000483175	0	32	-2.0	-95.68	327.21	4.73	-90.95
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=CO1	REAL300000483177	0	33	-2.0	-98.66	331.37	4.64	-94.02
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)SC=C1	REAL300000483178	0	33	-2.0	-101.15	340.47	5.57	-95.58
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300000483179	0	41	-2.0	-94.76	371.33	5.41	-89.35
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(O)=C3)C=C2F)C=C1	REAL300000483182	1	36	-2.0	-104.64	340.58	3.54	-101.10
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CSN=C3)C=C2F)C=C1	REAL300000483183	0	31	-2.0	-96.87	315.21	4.00	-92.87
O=C([O-])C1=NN(C2=CC=C([N-]S(=O)(=O)C3=CN=CS3)C=C2F)C=C1	REAL300000483184	0	31	-2.0	-94.62	314.99	3.33	-91.29
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300000483185	0	38	-2.0	-102.39	355.33	6.95	-95.44
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=CC=C1F	REAL300000483186	0	36	-2.0	-119.23	341.58	3.55	-115.68
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1	REAL300000483187	0	36	-2.0	-102.55	336.98	3.53	-99.02
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483188	0	36	-2.0	-99.48	337.05	3.52	-95.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1	REAL300000483189	0	40	-2.0	-110.08	361.42	3.39	-106.69
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(=O)[N-]2)C=C1	REAL300000483189	1	39	-3.0	-174.01	358.67	3.44	-170.57
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1	REAL300000483190	0	40	-2.0	-109.01	368.50	4.82	-104.19
CC1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000483191	0	39	-2.0	-119.57	356.84	4.16	-115.41
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483192	0	36	-2.0	-103.54	346.27	4.18	-99.36
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483192	1	35	-3.0	-164.37	343.60	4.22	-160.15
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=CC=C1Cl	REAL300000483193	0	36	-2.0	-115.63	349.55	3.92	-111.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1C	REAL300000483194	0	42	-2.0	-113.07	365.66	4.97	-108.10
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483195	0	35	-3.0	-165.74	336.01	3.71	-162.03
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483195	1	36	-2.0	-103.08	338.78	3.66	-99.42
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1	REAL300000483196	0	42	-2.0	-103.34	380.62	5.10	-98.24
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483197	0	32	-3.0	-162.65	323.72	2.66	-159.99
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1	REAL300000483198	0	39	-2.0	-109.24	345.44	4.00	-105.24
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1	REAL300000483199	0	40	-2.0	-105.52	368.12	3.81	-101.71
CN1C=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000483200	0	37	-2.0	-99.40	343.61	2.86	-96.54
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1	REAL300000483201	0	40	-2.0	-112.63	356.59	2.45	-110.18
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483202	0	35	-3.0	-158.38	339.66	3.32	-155.06
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000483203	0	42	-2.0	-111.42	363.87	4.99	-106.43
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=CS1	REAL300000483204	0	33	-2.0	-99.04	328.77	2.55	-96.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)=CS1	REAL300000483204	1	32	-3.0	-164.37	322.18	2.69	-161.68
COC1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000483205	0	40	-2.0	-124.93	364.28	3.59	-121.34
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1	REAL300000483206	0	42	-2.0	-108.79	363.19	4.86	-103.93
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483207	0	43	-2.0	-113.47	377.48	5.52	-107.95
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C(C(=O)[O-])O1	REAL300000483208	0	35	-3.0	-161.32	333.57	2.78	-158.54
CC1=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C(C(=O)[O-])O1	REAL300000483208	1	36	-2.0	-110.18	336.45	2.73	-107.45
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483209	0	40	-2.0	-108.69	362.27	2.68	-106.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483209	1	39	-3.0	-171.13	359.51	2.73	-168.40
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1	REAL300000483210	0	39	-2.0	-102.76	350.85	4.04	-98.72
CC1=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C(C(=O)[O-])S1	REAL300000483211	0	36	-2.0	-110.91	341.89	3.50	-107.41
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C(Cl)=C1	REAL300000483212	0	36	-2.0	-101.46	346.23	4.19	-97.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)C(Cl)=C1	REAL300000483212	1	35	-3.0	-153.72	343.58	4.20	-149.52
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1F	REAL300000483213	0	36	-2.0	-102.91	341.51	3.56	-99.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)S1	REAL300000483214	0	32	-3.0	-157.15	322.79	2.76	-154.39
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483215	0	36	-2.0	-111.46	343.65	3.58	-107.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1F	REAL300000483216	0	38	-3.0	-167.19	356.30	4.35	-162.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1F	REAL300000483216	1	39	-2.0	-103.70	358.94	4.31	-99.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)C(F)=C1	REAL300000483217	0	35	-3.0	-155.17	336.00	3.71	-151.46
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C(F)=C1	REAL300000483217	1	36	-2.0	-101.55	338.63	3.68	-97.87
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1Cl	REAL300000483218	0	36	-2.0	-99.91	349.48	3.92	-95.99
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=CC(F)=C1F	REAL300000483219	0	36	-2.0	-103.45	348.07	3.60	-99.85
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1	REAL300000483221	0	39	-2.0	-103.10	359.23	4.30	-98.80
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1	REAL300000483222	0	39	-2.0	-99.21	339.97	3.87	-95.34
CC1=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000483223	0	39	-2.0	-106.84	362.07	4.16	-102.68
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1	REAL300000483224	0	39	-2.0	-100.31	345.42	4.00	-96.31
CC1=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000483225	0	42	-2.0	-115.67	370.69	4.82	-110.85
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483226	0	35	-3.0	-157.34	342.28	3.77	-153.57
CC1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C(C)=C1C(=O)[O-]	REAL300000483227	0	42	-2.0	-108.70	366.11	5.06	-103.64
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000483228	0	38	-3.0	-166.95	352.01	4.24	-162.71
CC1=CC(F)=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000483228	1	39	-2.0	-102.93	354.60	4.22	-98.71
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483229	0	38	-3.0	-175.25	355.57	4.34	-170.91
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483229	1	39	-2.0	-109.21	358.32	4.31	-104.90
CCC1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000483230	0	42	-2.0	-98.64	371.39	4.70	-93.94
CCN1C=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000483231	0	40	-2.0	-99.81	364.98	3.72	-96.09
CC1=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=CC=C1C(=O)[O-]	REAL300000483232	0	39	-2.0	-102.31	352.96	4.08	-98.23
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1	REAL300000483233	0	39	-2.0	-113.63	353.26	4.42	-109.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1F	REAL300000483234	0	35	-3.0	-174.53	334.19	3.68	-170.85
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1F	REAL300000483234	1	36	-2.0	-108.86	336.78	3.64	-105.22
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C1C(=O)[O-]	REAL300000483235	0	39	-2.0	-100.30	358.26	4.29	-96.01
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C1	REAL300000483236	0	34	-3.0	-166.80	326.74	1.76	-165.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1	REAL300000483237	0	40	-2.0	-104.89	361.46	3.40	-101.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=CC(=O)[N-]2)C=C1	REAL300000483237	1	39	-3.0	-159.98	358.74	3.44	-156.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)=C(Cl)O1	REAL300000483238	0	32	-3.0	-155.46	330.68	2.62	-152.84
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3=CC=C(N4C=CC(=O)[N-]4)C=C3)C=C2)CC1	REAL300000483239	0	43	-2.0	-103.05	383.18	5.41	-97.64
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3=CC=C(N4C=CC(=O)[N-]4)C=C3)C=C2C1	REAL300000483240	0	43	-2.0	-103.26	382.69	5.41	-97.85
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C(C(=O)[O-])O1	REAL300000483241	0	38	-3.0	-161.26	352.66	3.64	-157.62
CCC1=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C=C2)C=C(C(=O)[O-])O1	REAL300000483241	1	39	-2.0	-104.68	355.04	3.08	-101.60
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000483242	1	33	-2.0	-121.13	315.34	5.57	-115.56
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000483243	0	28	-2.0	-129.51	287.92	5.98	-123.53
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000483244	0	27	-2.0	-111.23	291.29	4.35	-106.88
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483245	1	29	-2.0	-116.94	300.26	6.10	-110.84
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=C1	REAL300000483246	1	29	-2.0	-112.23	300.24	6.10	-106.13
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000483247	1	35	-2.0	-125.24	324.94	7.62	-117.62
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483248	0	30	-2.0	-111.67	294.35	4.63	-107.04
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000483249	1	28	-2.0	-110.57	292.12	5.83	-104.74
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483250	1	31	-2.0	-123.33	300.83	6.38	-116.95
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000483252	1	28	-2.0	-118.01	296.15	6.23	-111.78
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=C1	REAL300000483253	1	33	-2.0	-120.14	319.88	6.10	-114.04
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483254	1	34	-2.0	-122.13	316.31	7.15	-114.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=C1C	REAL300000483255	1	34	-2.0	-124.68	317.84	6.92	-117.76
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483256	1	33	-2.0	-132.04	319.91	6.10	-125.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C(C)=C1	REAL300000483257	1	34	-2.0	-121.60	316.32	7.15	-114.45
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=C1	REAL300000483258	1	37	-2.0	-122.11	339.64	7.64	-114.47
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000483259	0	25	-2.0	-113.39	288.40	5.33	-108.06
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=C1	REAL300000483260	1	37	-2.0	-121.61	343.81	7.93	-113.68
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483261	0	32	-2.0	-128.59	307.68	5.50	-123.09
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000483262	0	28	-2.0	-121.69	292.55	6.28	-115.41
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000483263	0	25	-2.0	-119.56	271.35	4.71	-114.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=C1	REAL300000483264	1	32	-2.0	-119.71	308.90	5.01	-114.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=C1	REAL300000483265	1	31	-2.0	-122.60	300.82	6.39	-116.21
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000483266	0	28	-2.0	-117.69	291.32	5.84	-111.85
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000483267	1	28	-2.0	-118.25	285.83	5.78	-112.47
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000483268	0	28	-2.0	-111.61	292.24	5.85	-105.76
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000483270	1	28	-2.0	-114.70	296.14	6.23	-108.47
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000483271	1	28	-2.0	-122.20	279.41	5.71	-116.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])S1	REAL300000483272	0	28	-2.0	-121.23	293.24	5.50	-115.73
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000483273	0	28	-2.0	-120.43	291.31	5.84	-114.59
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483274	0	34	-2.0	-120.15	317.03	4.80	-115.35
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=C1	REAL300000483275	1	32	-2.0	-120.22	313.92	2.49	-117.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=C1	REAL300000483276	1	34	-2.0	-122.13	322.31	7.15	-114.98
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000483277	1	28	-2.0	-113.81	285.82	5.78	-108.03
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000483278	0	28	-2.0	-127.08	284.92	5.77	-121.31
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483279	1	31	-2.0	-112.74	301.30	6.55	-106.19
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1Cl	REAL300000483280	0	28	-2.0	-128.56	296.89	5.28	-123.28
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=N1	REAL300000483281	0	28	-2.0	-117.79	283.97	3.42	-114.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=C1F	REAL300000483282	1	31	-2.0	-118.94	306.15	6.42	-112.52
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483283	0	31	-2.0	-127.64	306.32	6.44	-121.20
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483284	1	31	-2.0	-116.21	301.31	6.55	-109.66
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483285	0	32	-2.0	-126.53	310.53	4.09	-122.44
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000483286	0	25	-2.0	-114.36	261.00	2.10	-112.26
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000483287	0	31	-2.0	-142.97	307.61	4.91	-138.06
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000483288	0	27	-2.0	-111.71	280.84	3.99	-107.72
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483289	0	28	-2.0	-129.76	283.43	4.81	-124.95
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000483290	0	28	-2.0	-125.39	291.19	5.84	-119.55
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=CN1C	REAL300000483291	0	31	-2.0	-135.23	303.96	4.62	-130.61
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=N1	REAL300000483292	0	31	-2.0	-118.20	305.50	4.28	-113.92
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000483293	1	33	-2.0	-119.93	315.41	5.01	-114.92
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483294	0	28	-2.0	-115.53	279.81	2.75	-112.78
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483295	1	32	-2.0	-124.39	308.91	5.01	-119.38
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483296	1	31	-2.0	-121.11	294.91	6.49	-114.62
CN1C=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=N1	REAL300000483297	0	28	-2.0	-128.10	284.26	3.26	-124.84
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483298	0	28	-2.0	-113.43	279.66	3.33	-110.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C(F)=C1	REAL300000483302	0	31	-2.0	-127.17	306.33	6.45	-120.72
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=CC=C1F	REAL300000483303	1	31	-2.0	-114.66	306.15	6.41	-108.25
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000483304	0	25	-2.0	-130.50	260.89	3.09	-127.41
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])SC=C1	REAL300000483306	0	28	-2.0	-121.00	287.64	5.53	-115.47
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483307	1	32	-2.0	-114.72	315.68	6.88	-107.84
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483308	1	32	-2.0	-111.60	315.67	6.87	-104.73
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C(F)=C1	REAL300000483309	0	29	-2.0	-116.14	305.72	6.17	-109.97
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=N1	REAL300000483310	0	34	-2.0	-118.86	324.18	4.79	-114.07
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=CN1	REAL300000483311	0	34	-2.0	-132.81	323.39	4.14	-128.67
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483314	1	31	-2.0	-117.92	299.80	6.53	-111.39
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])S1	REAL300000483315	0	30	-2.0	-118.02	303.69	4.31	-113.71
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=C1	REAL300000483316	1	32	-2.0	-125.02	321.66	6.89	-118.13
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483317	1	34	-2.0	-123.74	322.31	7.14	-116.60
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483318	1	31	-2.0	-118.64	307.25	6.45	-112.19
COC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])SC=C1	REAL300000483319	0	29	-2.0	-127.33	301.59	4.00	-123.33
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000483320	0	31	-2.0	-125.91	309.18	6.10	-119.81
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483321	0	28	-2.0	-111.11	295.44	4.62	-106.49
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])N=C1Cl	REAL300000483322	0	28	-2.0	-124.58	299.60	4.54	-120.04
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000483323	0	29	-2.0	-127.70	295.26	4.45	-123.25
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])S1	REAL300000483324	0	27	-2.0	-117.55	287.95	3.54	-114.01
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483326	0	34	-2.0	-129.64	324.86	6.10	-123.54
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483328	0	34	-2.0	-132.18	326.90	6.45	-125.73
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1F	REAL300000483329	0	31	-2.0	-128.85	305.23	6.43	-122.42
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C(C)O1	REAL300000483331	0	31	-2.0	-118.39	302.40	5.29	-113.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])O1	REAL300000483332	0	28	-2.0	-121.92	284.02	4.53	-117.39
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483333	0	31	-2.0	-122.65	311.64	6.07	-116.58
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000483334	0	27	-2.0	-112.02	291.19	4.41	-107.61
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])N=C1C	REAL300000483335	0	34	-2.0	-132.36	325.03	5.50	-126.86
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])S1	REAL300000483336	0	30	-2.0	-117.35	309.43	4.29	-113.06
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000483337	0	31	-2.0	-132.07	307.35	6.02	-126.05
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000483339	0	25	-2.0	-120.09	262.10	3.70	-116.39
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483340	0	27	-2.0	-107.65	272.84	2.16	-105.49
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000483341	0	32	-2.0	-124.47	307.40	5.16	-119.31
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483342	1	34	-2.0	-115.51	305.17	7.23	-108.28
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483344	0	31	-2.0	-118.42	304.01	3.18	-115.24
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483345	1	32	-2.0	-124.25	304.09	7.04	-117.21
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483346	1	32	-2.0	-124.58	321.67	6.88	-117.70
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C(N)=NO1	REAL300000483347	0	29	-2.0	-111.26	286.95	3.09	-108.17
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])S1	REAL300000483349	0	26	-2.0	-110.19	291.92	5.26	-104.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=N1	REAL300000483350	0	30	-2.0	-118.88	296.02	4.54	-114.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=CC=C1C#N	REAL300000483351	1	32	-2.0	-112.56	319.39	6.60	-105.96
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])N(C)N=C1	REAL300000483354	0	31	-2.0	-114.70	296.28	4.17	-110.53
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])O1	REAL300000483355	0	26	-2.0	-112.03	283.35	4.25	-107.78
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000483356	0	25	-2.0	-117.31	270.52	4.62	-112.69
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000483357	0	25	-2.0	-117.66	261.95	3.60	-114.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=N1	REAL300000483358	0	31	-2.0	-114.39	306.60	2.40	-111.99
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000483359	0	25	-2.0	-116.69	287.40	5.17	-111.52
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483360	0	28	-2.0	-120.17	292.99	5.36	-114.81
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000483361	0	25	-2.0	-115.57	277.71	2.51	-113.06
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000483362	0	27	-2.0	-116.51	286.32	3.83	-112.68
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483363	0	27	-2.0	-113.67	287.91	4.01	-109.66
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000483365	1	35	-2.0	-122.26	328.64	7.82	-114.44
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000483366	0	25	-2.0	-118.53	277.70	4.76	-113.77
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=C1F	REAL300000483367	1	29	-2.0	-108.87	306.14	6.15	-102.72
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483369	1	28	-2.0	-146.98	284.77	1.65	-145.33
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000483370	0	25	-2.0	-125.88	261.04	2.29	-123.59
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])S1	REAL300000483371	0	31	-2.0	-122.65	309.53	6.34	-116.31
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=NN1C	REAL300000483372	0	31	-2.0	-117.04	300.08	3.95	-113.09
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=C1	REAL300000483373	1	32	-2.0	-122.70	310.50	6.80	-115.90
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483374	0	31	-2.0	-119.21	302.80	4.06	-115.15
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000483375	1	33	-2.0	-125.58	315.22	5.56	-120.02
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000483376	0	33	-2.0	-133.10	315.73	5.53	-127.57
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483381	0	27	-2.0	-110.61	276.37	3.67	-106.94
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000483382	0	27	-2.0	-125.01	279.92	3.90	-121.11
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000483384	0	27	-2.0	-110.14	280.83	3.87	-106.27
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483390	0	29	-2.0	-110.47	306.66	6.17	-104.30
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000483391	0	30	-2.0	-120.05	302.69	4.76	-115.29
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000483391	1	30	-2.0	-133.22	302.59	4.90	-128.32
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000483392	0	32	-2.0	-130.75	313.16	5.68	-125.07
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000483393	0	29	-2.0	-114.63	295.61	3.47	-111.16
O=C([O-])C1=C(Br)C=CC=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000483393	1	29	-2.0	-100.62	289.43	4.29	-96.33
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483394	0	34	-2.0	-115.98	318.58	4.76	-111.22
NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=N1	REAL300000483395	0	28	-2.0	-113.22	284.63	3.06	-110.16
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483396	0	28	-2.0	-110.75	298.67	1.51	-109.24
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000483397	0	24	-2.0	-112.82	266.16	3.41	-109.41
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483398	1	37	-2.0	-115.08	326.67	8.00	-107.08
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1F	REAL300000483399	0	29	-2.0	-124.37	305.22	6.13	-118.24
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483400	0	31	-2.0	-117.45	302.31	6.40	-111.05
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000483401	0	25	-2.0	-117.10	284.84	5.15	-111.95
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000483402	1	29	-2.0	-109.45	294.30	4.50	-104.95
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000483403	0	31	-2.0	-125.21	309.19	5.99	-119.22
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=CN=C1N	REAL300000483404	1	32	-2.0	-121.06	307.44	3.42	-117.64
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483405	0	28	-2.0	-118.43	296.71	1.59	-116.84
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])N=CN1	REAL300000483406	0	28	-2.0	-132.59	278.35	3.78	-128.81
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000483408	0	25	-2.0	-116.53	285.26	5.25	-111.28
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483409	1	37	-2.0	-123.90	343.81	7.92	-115.98
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483410	1	34	-2.0	-121.87	309.55	7.39	-114.48
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000483411	1	31	-2.0	-120.51	307.40	6.53	-113.98
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483412	0	31	-2.0	-114.65	300.59	3.99	-110.66
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1C	REAL300000483414	1	34	-2.0	-122.36	311.91	7.02	-115.34
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000483415	1	35	-2.0	-123.99	328.65	7.82	-116.17
COC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=CS1	REAL300000483416	0	29	-2.0	-124.42	301.68	4.15	-120.27
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])O1	REAL300000483417	0	31	-2.0	-121.97	305.50	5.31	-116.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])S1	REAL300000483418	0	29	-2.0	-117.83	303.21	4.16	-113.67
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000483419	0	31	-2.0	-114.78	312.09	4.40	-110.38
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000483420	1	31	-2.0	-121.24	299.96	6.68	-114.56
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000483421	0	31	-2.0	-125.86	304.92	6.11	-119.75
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=N1	REAL300000483422	0	30	-2.0	-119.18	300.13	2.58	-116.60
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000483423	0	25	-2.0	-114.90	279.17	4.32	-110.58
CC1=COC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483424	0	28	-2.0	-120.98	284.00	4.38	-116.60
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1Cl	REAL300000483425	0	28	-2.0	-113.87	299.31	3.76	-110.11
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])OC=C1	REAL300000483426	0	26	-2.0	-118.11	283.58	4.16	-113.95
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000483427	0	25	-2.0	-116.22	278.19	4.20	-112.02
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000483428	0	25	-2.0	-114.24	288.23	5.22	-109.02
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000483429	1	35	-2.0	-123.99	322.97	7.88	-116.11
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])C=CO1	REAL300000483431	0	26	-2.0	-120.66	282.40	4.11	-116.55
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])SC=C1	REAL300000483432	0	26	-2.0	-116.15	291.47	5.06	-111.09
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(Br)=C1C(=O)[O-]	REAL300000483433	0	34	-2.0	-116.04	321.12	4.97	-111.07
COC1=NOC(CS(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483434	1	31	-2.0	-111.75	310.47	2.06	-109.69
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000483436	1	29	-2.0	-122.87	290.44	2.86	-120.01
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000483437	0	24	-2.0	-110.49	265.07	3.31	-107.18
O=C([O-])C1=C(Br)C=CC=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000483438	0	24	-2.0	-115.57	266.01	2.83	-112.74
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Br)=C2C(=O)[O-])=C1	REAL300000483439	0	31	-2.0	-127.64	306.32	6.44	-121.20
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1OC	REAL300000483442	1	42	-2.0	-106.90	367.77	5.93	-100.97
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1OC	REAL300000483443	0	46	-2.0	-112.29	395.91	5.72	-106.57
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1OC	REAL300000483444	1	46	-2.0	-94.34	399.23	7.22	-87.12
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1OC	REAL300000483446	0	42	-2.0	-102.55	380.84	6.50	-96.05
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1OC	REAL300000483447	1	42	-2.0	-102.77	380.28	6.32	-96.45
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1OC	REAL300000483448	1	48	-2.0	-109.96	400.45	7.27	-102.69
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1OC	REAL300000483449	0	42	-2.0	-104.01	373.25	5.99	-98.02
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1OC	REAL300000483450	1	48	-2.0	-93.64	411.34	7.52	-86.12
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1OC	REAL300000483451	0	39	-2.0	-101.14	360.95	4.94	-96.20
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1OC	REAL300000483452	1	45	-2.0	-108.00	383.20	6.71	-101.29
CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000483454	1	43	-2.0	-105.28	374.42	5.27	-100.01
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1OC	REAL300000483456	0	42	-2.0	-97.30	376.89	5.60	-91.70
CCCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1OC	REAL300000483458	0	39	-2.0	-102.58	359.42	4.96	-97.62
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1OC	REAL300000483460	1	48	-2.0	-106.52	397.92	7.64	-98.88
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1OC	REAL300000483461	0	42	-2.0	-100.88	370.78	5.06	-95.82
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1OC	REAL300000483462	0	46	-2.0	-108.00	396.76	5.01	-102.99
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1OC	REAL300000483463	1	45	-2.0	-98.51	388.48	6.74	-91.77
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1OC	REAL300000483464	1	42	-2.0	-104.42	376.37	5.82	-98.60
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1OC	REAL300000483465	0	42	-2.0	-92.14	380.82	6.49	-85.65
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1OC	REAL300000483466	1	42	-2.0	-94.10	372.30	5.97	-88.13
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1OC	REAL300000483467	0	39	-2.0	-96.10	360.04	5.06	-91.04
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OC	REAL300000483468	1	42	-2.0	-97.76	374.18	5.99	-91.77
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1OC	REAL300000483469	0	45	-2.0	-105.43	393.54	6.63	-98.80
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1OC	REAL300000483470	0	42	-2.0	-93.81	373.24	6.00	-87.81
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1OC	REAL300000483471	1	42	-2.0	-92.17	380.27	6.33	-85.84
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1OC	REAL300000483472	0	43	-2.0	-106.81	377.49	3.64	-103.17
CCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1OC	REAL300000483472	1	43	-2.0	-105.84	376.67	4.45	-101.39
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1OC	REAL300000483473	1	45	-2.0	-98.04	389.94	6.71	-91.33
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1OC	REAL300000483474	1	45	-2.0	-103.16	377.85	6.57	-96.59
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1OC	REAL300000483479	0	45	-2.0	-105.09	389.25	6.53	-98.56
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1OC	REAL300000483480	0	45	-2.0	-111.58	392.81	6.62	-104.96
CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1OC	REAL300000483482	1	46	-2.0	-106.59	395.78	6.14	-100.45
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1OC	REAL300000483485	0	42	-2.0	-110.92	371.43	5.96	-104.96
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1OC	REAL300000483486	1	45	-2.0	-99.55	392.71	6.60	-92.95
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1OC	REAL300000483487	0	41	-2.0	-104.00	364.76	3.98	-100.02
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1OC	REAL300000483488	0	46	-2.0	-98.72	395.98	5.72	-93.00
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1OC	REAL300000483489	0	39	-2.0	-94.70	367.93	4.91	-89.79
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1OC	REAL300000483490	0	45	-2.0	-100.79	389.91	5.91	-94.88
CC1=CC=C(N(CC2CC2)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000483524	0	42	-2.0	-114.92	359.02	8.21	-106.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)=CC=C1F	REAL300000483544	1	32	-2.0	-98.52	326.59	6.50	-92.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)C=C1	REAL300000483545	1	32	-2.0	-88.92	322.05	6.48	-82.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)=C1	REAL300000483546	1	32	-2.0	-100.81	322.05	6.47	-94.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000483547	1	35	-2.0	-101.86	338.07	7.00	-94.86
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)=C1	REAL300000483548	0	32	-2.0	-97.91	327.53	6.53	-91.38
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)=C1	REAL300000483549	0	29	-2.0	-95.03	315.24	5.48	-89.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(SC(F)(F)F)=C1	REAL300000483550	1	35	-2.0	-101.80	337.48	7.25	-94.55
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000483551	0	33	-2.0	-99.34	328.70	5.82	-93.52
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)=C1	REAL300000483552	0	32	-2.0	-91.51	331.17	6.15	-85.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)=CS1	REAL300000483553	0	29	-2.0	-96.50	313.70	5.50	-91.00
CC1=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000483554	0	32	-2.0	-95.04	325.06	5.60	-89.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000483555	0	32	-2.0	-98.38	330.65	6.36	-92.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)C=C1F	REAL300000483556	1	32	-2.0	-88.57	326.57	6.51	-82.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)S1	REAL300000483557	0	29	-2.0	-90.21	314.32	5.60	-84.61
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)=C1	REAL300000483558	1	32	-2.0	-91.86	328.46	6.54	-85.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)C(F)=C1	REAL300000483559	0	32	-2.0	-88.16	327.51	6.54	-81.62
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)=C1	REAL300000483560	0	33	-2.0	-100.62	331.77	4.18	-96.44
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(SC(F)(F)F)=C2)=C1	REAL300000483560	1	33	-2.0	-100.68	330.96	4.99	-95.69
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)C=C1	REAL300000483561	1	35	-2.0	-92.13	344.24	7.24	-84.89
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(SC(F)(F)F)=C1	REAL300000483562	1	35	-2.0	-97.22	332.12	7.11	-90.11
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000483564	0	36	-2.0	-100.54	350.18	6.68	-93.86
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000483565	1	35	-2.0	-88.93	338.06	7.01	-81.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)=C1F	REAL300000483566	0	32	-2.0	-104.90	325.67	6.49	-98.41
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)=C1	REAL300000483567	0	31	-2.0	-97.87	319.04	4.52	-93.35
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(SC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000483568	0	35	-2.0	-94.95	344.18	6.45	-88.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CC=C3)=C2)C=C1	REAL300000483569	1	42	-2.0	-97.67	376.90	8.29	-89.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CC=C3)=C2)=C1	REAL300000483570	1	42	-2.0	-110.26	376.92	8.29	-101.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000483571	1	45	-2.0	-111.42	392.94	8.83	-102.59
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CC=C3)=C2)=C1	REAL300000483572	0	39	-2.0	-104.45	370.10	7.31	-97.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300000483573	1	45	-2.0	-110.44	392.35	9.07	-101.37
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000483574	0	43	-2.0	-108.67	383.57	7.65	-101.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CC=C3)=C2)=CS1	REAL300000483575	0	39	-2.0	-105.99	368.57	7.33	-98.66
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000483576	0	42	-2.0	-103.69	379.93	7.43	-96.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CC=C3)=C2)S1	REAL300000483577	0	39	-2.0	-99.37	369.20	7.41	-91.96
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CC=C3)=C2)=C1	REAL300000483578	0	43	-2.0	-109.05	386.63	6.01	-103.04
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(OCC3=CC=CC=C3)=C2)=C1	REAL300000483578	1	43	-2.0	-108.20	385.73	6.88	-101.32
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CC=C3)=C2)C=C1	REAL300000483579	1	45	-2.0	-100.81	399.09	9.06	-91.75
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300000483580	1	45	-2.0	-106.92	386.99	8.92	-98.00
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300000483581	1	45	-2.0	-97.65	392.34	9.07	-88.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000483582	1	45	-2.0	-97.77	392.93	8.84	-88.93
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OCC3=CC=CC=C3)=C2)=C1	REAL300000483583	0	41	-2.0	-106.60	373.91	6.35	-100.25
CC1(C)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000483611	0	41	-2.0	-111.78	361.95	8.60	-103.18
CC1(C)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000483636	0	39	-2.0	-111.57	331.98	6.72	-104.85
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000483672	1	39	-2.0	-90.79	354.57	1.42	-89.37
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000483673	1	32	-2.0	-106.75	302.63	2.86	-103.89
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(O)=C1	REAL300000483674	0	40	-2.0	-109.08	357.72	3.91	-105.17
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=C1	REAL300000483675	0	32	-2.0	-105.28	314.52	3.54	-101.74
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000483676	1	32	-2.0	-97.15	298.09	2.84	-94.31
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000483677	1	32	-2.0	-109.46	298.10	2.83	-106.63
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(O)=C1	REAL300000483678	0	36	-2.0	-116.16	326.24	2.63	-113.53
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000483679	1	32	-2.0	-104.86	314.35	3.32	-101.54
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000483680	1	36	-2.0	-96.90	329.56	4.12	-92.78
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000483681	1	35	-2.0	-111.66	314.12	3.36	-108.30
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000483682	0	32	-2.0	-105.97	311.17	3.40	-102.57
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000483683	1	32	-2.0	-105.21	310.61	3.22	-101.99
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000483684	0	32	-2.0	-101.48	323.68	3.77	-97.71
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000483685	1	38	-2.0	-113.75	330.77	4.17	-109.58
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000483686	0	32	-2.0	-107.65	303.58	2.89	-104.76
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000483687	1	38	-2.0	-96.34	341.68	4.42	-91.92
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000483688	0	29	-2.0	-104.54	291.28	1.84	-102.70
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000483689	1	35	-2.0	-111.60	313.53	3.61	-107.99
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000483690	1	36	-2.0	-95.65	329.18	3.11	-92.54
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=C1	REAL300000483691	1	43	-2.0	-92.24	374.94	3.90	-88.34
CC1=CC(O)=CC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=C1	REAL300000483692	0	29	-2.0	-101.43	308.31	2.62	-98.81
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000483693	0	33	-2.0	-107.86	304.75	2.17	-105.69
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=CC(O)=C2)=C1	REAL300000483695	0	32	-2.0	-99.91	307.21	2.51	-97.40
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000483696	1	38	-2.0	-112.94	329.56	4.16	-108.78
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000483697	0	29	-2.0	-105.27	289.75	1.86	-103.41
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000483698	1	40	-2.0	-110.62	356.41	2.64	-107.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(O)=C2)C=C1C(=O)[O-]	REAL300000483699	1	36	-2.0	-115.30	325.39	2.90	-112.40
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000483700	1	42	-2.0	-115.59	353.34	5.45	-110.14
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000483701	1	41	-2.0	-113.96	352.00	4.83	-109.13
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(O)=C1	REAL300000483702	1	38	-2.0	-109.97	328.24	4.55	-105.42
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(O)=C1	REAL300000483703	0	39	-2.0	-116.11	348.53	3.38	-112.73
CC1=CC(O)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000483704	0	35	-2.0	-111.67	328.97	3.40	-108.27
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000483704	1	34	-3.0	-184.81	326.51	3.38	-181.43
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000483705	1	39	-2.0	-115.01	342.35	4.72	-110.29
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(O)=C2)C=C(C(=O)[O-])O1	REAL300000483706	0	32	-2.0	-104.08	301.11	1.97	-102.11
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000483707	1	38	-2.0	-114.28	340.27	2.60	-111.68
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000483708	0	36	-2.0	-110.39	327.09	1.92	-108.47
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000483709	1	40	-2.0	-97.28	351.73	3.44	-93.84
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000483710	1	32	-2.0	-99.62	325.79	3.68	-95.94
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000483711	0	32	-2.0	-102.49	315.69	3.42	-99.07
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000483712	1	36	-2.0	-94.00	345.20	3.65	-90.35
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000483713	1	39	-2.0	-96.17	349.26	3.82	-92.35
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000483714	1	42	-2.0	-94.75	377.85	4.08	-90.67
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000483715	1	35	-2.0	-101.83	318.81	3.64	-98.19
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1	REAL300000483716	1	45	-2.0	-96.29	391.69	4.75	-91.54
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000483717	1	36	-2.0	-94.91	335.39	3.18	-91.73
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)=C1	REAL300000483718	1	42	-2.0	-94.49	387.66	4.57	-89.92
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(O)=C2)C=C1C(=O)[O-]	REAL300000483719	1	39	-2.0	-116.92	347.23	3.80	-113.12
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(O)=C2)C=C(C(=O)[O-])S1	REAL300000483720	0	32	-2.0	-107.62	307.80	2.71	-104.91
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000483721	0	32	-2.0	-99.50	326.32	3.85	-95.65
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000483722	0	32	-2.0	-94.57	311.16	3.39	-91.18
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=C1	REAL300000483723	0	32	-2.0	-94.01	314.51	3.53	-90.48
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000483724	1	32	-2.0	-96.42	302.63	2.87	-93.55
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000483725	0	29	-2.0	-98.80	290.36	1.96	-96.84
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000483726	1	32	-2.0	-100.22	304.51	2.89	-97.33
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000483727	0	35	-2.0	-109.11	323.87	3.53	-105.58
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(O)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000483728	0	36	-2.0	-99.12	338.40	3.45	-95.67
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000483729	0	32	-2.0	-96.42	303.55	2.90	-93.52
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000483730	1	32	-2.0	-94.66	310.60	3.23	-91.43
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000483731	1	35	-2.0	-103.57	327.54	4.03	-99.54
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000483732	1	40	-2.0	-93.76	361.85	4.24	-89.52
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000483733	1	32	-2.0	-94.23	314.34	3.33	-90.90
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000483734	1	32	-2.0	-98.90	308.94	2.92	-95.98
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000483735	0	34	-2.0	-94.35	326.29	3.50	-90.85
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000483736	0	33	-2.0	-110.41	307.82	0.53	-109.88
CC1=CC(O)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000483736	1	33	-2.0	-104.84	307.01	1.32	-103.52
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000483737	1	35	-2.0	-101.60	320.28	3.61	-97.99
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000483738	1	32	-2.0	-100.43	318.82	3.36	-97.07
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000483739	1	35	-2.0	-105.42	308.14	3.47	-101.95
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000483740	1	35	-2.0	-108.11	322.95	3.48	-104.63
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000483741	1	35	-2.0	-97.43	313.51	3.60	-93.83
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000483742	1	38	-2.0	-113.86	335.60	4.03	-109.83
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000483743	0	34	-2.0	-107.35	324.68	3.93	-103.42
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000483744	0	32	-2.0	-98.99	309.86	2.95	-96.04
CC1=CC(O)=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=C1	REAL300000483745	0	29	-2.0	-96.79	310.68	2.50	-94.29
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000483746	1	38	-2.0	-109.64	332.58	4.22	-105.42
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000483747	0	35	-2.0	-110.04	323.41	3.53	-106.51
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000483748	0	35	-2.0	-107.78	329.85	3.97	-103.81
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000483749	0	35	-2.0	-113.97	323.14	3.52	-110.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(O)=C2)C=C1C(=O)[O-]	REAL300000483750	1	38	-2.0	-112.45	332.07	4.01	-108.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(O)=C2)C=C1CC(=O)[O-]	REAL300000483751	1	39	-2.0	-112.14	348.56	2.96	-109.18
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000483752	1	35	-2.0	-98.71	324.37	4.00	-94.71
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000483753	1	35	-2.0	-93.68	328.23	3.63	-90.05
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000483754	1	35	-2.0	-106.97	329.34	3.79	-103.18
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000483755	1	32	-2.0	-102.16	319.39	3.44	-98.72
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(O)=C2)C=C1C(=O)[O-]	REAL300000483756	0	36	-2.0	-109.19	326.12	3.04	-106.15
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000483758	0	32	-2.0	-97.62	323.68	3.38	-94.24
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=C1	REAL300000483759	0	36	-2.0	-96.12	342.80	3.12	-93.00
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000483760	1	35	-2.0	-104.66	331.84	3.90	-100.76
CC1=CC(O)=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000483761	0	41	-2.0	-107.49	347.54	4.96	-102.53
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=CC(O)=C2)C=C1C(=O)[O-]	REAL300000483762	0	36	-2.0	-111.57	338.42	3.46	-108.11
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000483763	1	35	-2.0	-97.28	314.11	3.37	-93.91
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000483764	0	37	-2.0	-102.19	341.37	5.01	-97.18
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000483765	1	35	-2.0	-109.09	317.64	3.67	-105.42
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000483766	0	34	-2.0	-116.09	321.84	4.68	-111.41
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000483767	0	32	-2.0	-113.20	301.76	2.86	-110.34
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000483768	1	35	-2.0	-102.78	323.04	3.51	-99.27
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000483769	1	38	-2.0	-118.89	339.14	4.95	-113.94
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000483770	0	31	-2.0	-107.37	294.32	0.95	-106.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(O)=C1	REAL300000483771	0	36	-2.0	-101.56	326.30	2.62	-98.94
CC1=CC(O)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000483772	0	29	-2.0	-97.70	298.25	1.80	-95.90
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000483773	1	36	-2.0	-104.58	341.89	3.38	-101.20
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=C1	REAL300000483774	0	35	-2.0	-100.68	341.45	-0.13	-100.81
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000483775	1	39	-2.0	-103.83	344.23	4.72	-99.11
CC1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000483776	1	39	-2.0	-107.21	343.55	4.72	-102.49
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(O)=C2)C=C(C(=O)[O-])O1	REAL300000483777	0	35	-2.0	-104.05	320.23	2.82	-101.23
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000483778	0	43	-2.0	-97.84	382.71	5.15	-92.69
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000483779	0	36	-2.0	-116.09	330.78	6.59	-109.50
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000483780	0	44	-2.0	-114.97	385.87	7.65	-107.32
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000483781	0	36	-2.0	-105.91	326.23	6.57	-99.34
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000483782	0	36	-2.0	-119.14	326.26	6.56	-112.58
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000483783	0	40	-2.0	-123.42	354.40	6.36	-117.06
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000483784	0	40	-2.0	-104.18	357.70	7.86	-96.32
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000483785	0	39	-2.0	-120.56	342.27	7.10	-113.46
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000483786	0	36	-2.0	-112.87	339.33	7.14	-105.73
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000483787	0	36	-2.0	-114.65	338.76	6.96	-107.69
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000483788	0	42	-2.0	-120.28	359.36	7.90	-112.38
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000483789	0	36	-2.0	-115.68	331.73	6.63	-109.05
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000483790	0	42	-2.0	-103.47	369.82	8.15	-95.32
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000483791	0	33	-2.0	-113.16	319.44	5.59	-107.57
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000483792	0	39	-2.0	-118.13	341.69	7.35	-110.78
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000483793	1	40	-2.0	-102.96	357.32	6.85	-96.11
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000483794	0	37	-2.0	-117.43	332.90	5.91	-111.52
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000483795	1	40	-2.0	-118.57	350.03	5.39	-113.18
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000483796	0	36	-2.0	-109.42	335.39	6.25	-103.17
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000483797	1	42	-2.0	-120.96	361.70	7.98	-112.98
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000483798	0	33	-2.0	-114.51	317.90	5.61	-108.90
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000483799	0	44	-2.0	-119.89	384.57	6.37	-113.52
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000483800	1	40	-2.0	-125.01	353.54	6.63	-118.38
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000483801	0	46	-2.0	-122.73	381.49	9.19	-113.54
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000483802	0	45	-2.0	-119.81	379.47	8.57	-111.24
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000483803	0	42	-2.0	-114.53	351.94	8.22	-106.31
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000483804	0	43	-2.0	-124.91	376.69	7.13	-117.78
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000483805	0	38	-3.0	-198.73	354.66	7.13	-191.60
CCC(=O)C1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000483805	1	39	-2.0	-112.52	352.90	7.11	-105.41
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000483806	0	43	-2.0	-123.18	370.50	8.46	-114.72
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000483807	0	36	-2.0	-111.62	329.26	5.71	-105.91
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000483808	0	42	-2.0	-124.35	368.42	6.34	-118.01
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000483809	0	40	-2.0	-120.00	355.24	5.65	-114.35
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000483810	1	44	-2.0	-103.91	379.17	7.17	-96.74
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000483811	0	36	-2.0	-109.19	343.85	7.16	-102.03
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000483812	0	40	-2.0	-101.16	373.36	7.39	-93.77
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000483813	1	43	-2.0	-103.49	377.41	7.55	-95.94
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000483814	0	39	-2.0	-108.78	346.96	7.38	-101.40
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000483815	0	40	-2.0	-102.11	363.56	6.91	-95.20
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)CC)C=C1C(=O)[O-]	REAL300000483816	1	43	-2.0	-125.74	375.40	7.54	-118.20
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000483817	0	36	-2.0	-114.53	334.88	6.46	-108.07
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000483818	0	36	-2.0	-102.64	339.30	7.12	-95.52
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000483819	0	36	-2.0	-105.15	330.79	6.60	-98.55
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000483820	0	33	-2.0	-107.92	318.52	5.69	-102.23
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000483821	0	36	-2.0	-109.76	332.66	6.63	-103.13
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000483822	0	39	-2.0	-117.46	352.00	7.26	-110.20
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000483823	0	40	-2.0	-107.48	366.56	7.18	-100.30
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000483824	0	36	-2.0	-105.75	331.71	6.63	-99.12
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000483825	0	36	-2.0	-103.32	338.76	6.97	-96.35
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000483826	0	39	-2.0	-110.42	355.70	7.77	-102.65
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000483827	0	44	-2.0	-100.50	389.98	7.98	-92.52
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000483828	0	36	-2.0	-107.42	337.07	6.66	-100.76
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000483829	0	38	-2.0	-103.66	354.44	7.23	-96.43
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000483830	0	37	-2.0	-116.29	335.97	4.27	-112.02
CCC(=O)C1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000483830	1	37	-2.0	-114.17	329.79	5.14	-109.03
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000483831	0	39	-2.0	-108.82	348.43	7.35	-101.47
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000483832	0	36	-2.0	-108.99	346.96	7.09	-101.90
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000483833	0	39	-2.0	-115.82	336.29	7.21	-108.61
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000483834	0	39	-2.0	-117.72	351.08	7.21	-110.51
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000483835	1	39	-2.0	-105.30	341.67	7.34	-97.96
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000483836	0	42	-2.0	-122.85	359.13	7.63	-115.22
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000483837	0	38	-2.0	-116.41	352.83	7.66	-108.75
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000483838	0	36	-2.0	-107.48	337.99	6.69	-100.79
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000483839	1	42	-2.0	-120.52	359.79	7.97	-112.55
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000483840	0	39	-2.0	-118.21	351.57	7.26	-110.95
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000483841	0	39	-2.0	-115.00	358.04	7.70	-107.30
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000483842	0	39	-2.0	-125.55	351.27	7.26	-118.29
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000483843	0	42	-2.0	-121.38	360.22	7.75	-113.63
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000483844	1	43	-2.0	-122.77	376.73	6.70	-116.07
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000483845	0	39	-2.0	-108.65	352.52	7.75	-100.90
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000483846	0	39	-2.0	-116.74	357.47	7.52	-109.22
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000483847	0	40	-2.0	-118.80	354.28	6.79	-112.01
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000483848	1	48	-2.0	-120.61	391.40	9.44	-111.17
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000483849	0	39	-2.0	-112.55	356.12	7.53	-105.02
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000483850	0	45	-2.0	-112.84	372.51	8.67	-104.17
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000483851	0	40	-2.0	-118.40	366.58	7.19	-111.21
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000483852	0	39	-2.0	-107.73	346.32	7.21	-100.52
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000483853	0	41	-2.0	-109.05	369.50	8.77	-100.28
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000483854	1	39	-2.0	-115.37	345.78	7.40	-107.97
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000483855	0	38	-2.0	-126.45	349.99	8.42	-118.03
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000483856	0	36	-2.0	-124.56	329.89	6.59	-117.97
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000483857	0	39	-2.0	-110.83	347.42	7.14	-103.69
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000483858	0	42	-2.0	-128.22	367.29	8.68	-119.54
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000483859	0	35	-2.0	-117.40	322.47	4.69	-112.71
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000483860	0	40	-2.0	-110.01	354.45	6.36	-103.65
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000483861	0	33	-2.0	-105.77	326.36	5.55	-100.22
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000483862	0	43	-2.0	-111.75	372.38	8.45	-103.30
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000483863	0	43	-2.0	-117.14	370.34	8.43	-108.71
CCC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000483864	0	39	-2.0	-110.08	344.60	6.53	-103.55
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC=C2C)C(C(=O)[O-])=C1	REAL300000483865	1	44	-2.0	-127.05	384.70	6.88	-120.17
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000483866	1	41	-2.0	-129.81	369.26	6.09	-123.72
CCOC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C(C(=O)[O-])=C1	REAL300000483869	0	35	-2.0	-134.08	322.98	5.72	-128.36
CCOC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000483870	0	38	-2.0	-96.28	346.33	5.09	-91.19
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C(C(=O)[O-])=C1	REAL300000483871	0	34	-2.0	-115.86	326.34	4.08	-111.78
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000483872	1	36	-2.0	-121.67	335.33	5.83	-115.84
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C(C(=O)[O-])=C1	REAL300000483873	1	36	-2.0	-117.17	335.29	5.83	-111.34
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C(C(=O)[O-])=C1	REAL300000483874	0	35	-2.0	-123.31	336.71	6.02	-117.29
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000483875	0	38	-2.0	-100.90	345.80	5.97	-94.93
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000483878	1	40	-2.0	-124.31	358.68	6.63	-117.68
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000483879	1	38	-2.0	-117.46	353.21	6.44	-111.02
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000483881	0	38	-2.0	-102.84	341.00	5.94	-96.90
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000483882	0	43	-2.0	-134.34	372.21	4.52	-129.82
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)ON=C2C)C(C(=O)[O-])=C1	REAL300000483885	0	37	-2.0	-116.24	327.56	4.39	-111.85
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000483886	1	35	-2.0	-116.48	346.39	6.42	-110.06
CCOC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000483887	0	38	-2.0	-118.74	341.21	5.94	-112.80
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000483887	1	37	-3.0	-203.14	342.94	6.00	-197.14
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000483888	1	35	-2.0	-115.19	327.18	5.56	-109.63
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000483889	0	35	-2.0	-120.81	344.34	6.52	-114.29
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000483890	1	38	-2.0	-122.00	353.21	6.44	-115.56
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2)C(C(=O)[O-])=C1	REAL300000483891	1	38	-2.0	-128.05	335.88	6.11	-121.94
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000483893	0	38	-2.0	-128.21	339.01	6.79	-121.42
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000483894	1	35	-2.0	-122.65	331.21	5.96	-116.69
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000483895	1	40	-2.0	-124.84	355.72	5.85	-118.99
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000483898	1	35	-2.0	-115.51	337.07	6.01	-109.50
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)C(C(=O)[O-])=C1	REAL300000483899	1	40	-2.0	-136.68	354.97	5.82	-130.86
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC)C=C2C(=O)[O-])C=C1	REAL300000483901	1	44	-2.0	-120.43	391.10	7.03	-113.40
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C(C(=O)[O-])=C1	REAL300000483902	0	35	-2.0	-123.88	342.80	6.46	-117.42
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000483903	1	41	-2.0	-122.83	370.00	6.18	-116.65
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C(=O)[O-])=C1	REAL300000483907	0	41	-3.0	-204.68	371.08	5.80	-198.88
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C(=O)[O-])=C1	REAL300000483907	1	42	-2.0	-104.84	368.41	5.29	-99.55
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000483908	0	42	-2.0	-100.95	372.69	7.23	-93.72
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000483909	0	32	-2.0	-117.94	323.46	5.06	-112.88
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC)C(C(=O)[O-])=C1	REAL300000483911	0	39	-2.0	-133.38	342.74	5.23	-128.15
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000483912	0	41	-2.0	-121.20	360.09	6.55	-114.65
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000483913	0	35	-2.0	-121.61	332.54	5.63	-115.98
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000483914	1	35	-2.0	-117.07	347.94	6.47	-110.60
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000483915	0	35	-2.0	-126.73	327.62	6.00	-120.73
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000483916	1	37	-2.0	-122.58	342.70	6.11	-116.47
CCOC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000483917	1	40	-2.0	-119.20	358.19	6.88	-112.32
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C(C(=O)[O-])=C1	REAL300000483918	0	32	-2.0	-124.17	306.41	4.44	-119.73
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000483920	0	37	-2.0	-139.03	335.57	6.86	-132.17
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000483923	0	35	-2.0	-122.41	326.38	5.57	-116.84
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000483924	1	35	-2.0	-122.83	320.88	5.51	-117.32
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000483925	1	35	-2.0	-116.18	327.29	5.58	-110.60
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C(C(=O)[O-])=C1	REAL300000483930	1	35	-2.0	-119.35	331.20	5.96	-113.39
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000483931	1	37	-2.0	-113.11	342.70	6.11	-107.00
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000483932	1	35	-2.0	-126.82	314.47	5.44	-121.38
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)S2)C(C(=O)[O-])=C1	REAL300000483934	0	35	-2.0	-125.76	328.31	5.24	-120.52
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000483935	0	44	-2.0	-98.70	372.11	7.24	-91.46
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2OC)C(C(=O)[O-])=C1	REAL300000483936	0	39	-2.0	-125.67	359.47	5.75	-119.92
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(=O)[O-])=C1	REAL300000483937	0	37	-3.0	-197.00	348.42	6.06	-190.94
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(=O)[O-])=C1	REAL300000483937	1	38	-2.0	-110.52	346.01	5.61	-104.91
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000483938	0	32	-2.0	-115.63	337.32	5.59	-110.04
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000483940	1	40	-2.0	-122.70	352.72	6.71	-115.99
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000483941	0	35	-2.0	-125.11	326.38	5.57	-119.54
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000483942	0	44	-2.0	-99.77	384.89	7.53	-92.24
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000483942	1	43	-3.0	-183.40	386.52	7.59	-175.81
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C(C(=O)[O-])=C1	REAL300000483944	1	39	-2.0	-120.45	350.22	2.26	-118.19
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(=O)[O-])=C1	REAL300000483949	0	34	-3.0	-195.58	336.12	5.02	-190.56
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C(C(=O)[O-])=C1	REAL300000483950	1	38	-2.0	-119.91	346.23	2.94	-116.97
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C(=O)[O-])=C1	REAL300000483951	0	41	-2.0	-97.49	354.63	6.69	-90.80
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)C(C(=O)[O-])=C1	REAL300000483952	0	41	-2.0	-125.12	351.17	4.47	-120.65
CCOC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300000483953	1	43	-2.0	-119.49	375.91	7.44	-112.05
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C=C2)C(C(=O)[O-])=C1	REAL300000483954	1	41	-2.0	-120.79	369.24	6.10	-114.69
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC)C=C2)C(C(=O)[O-])=C1	REAL300000483955	1	42	-2.0	-125.14	370.91	3.72	-121.42
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C(C(=O)[O-])=C1	REAL300000483956	1	39	-2.0	-124.94	348.98	2.22	-122.72
CCOC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000483958	1	41	-2.0	-130.96	360.42	7.73	-123.23
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)OC)SC=C2)C(C(=O)[O-])=C1	REAL300000483959	0	38	-2.0	-135.76	354.06	5.75	-130.01
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000483961	0	42	-2.0	-100.83	372.37	6.22	-94.61
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C(C(=O)[O-])=C1	REAL300000483964	0	35	-2.0	-131.84	319.96	5.50	-126.34
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C(C(=O)[O-])=C1	REAL300000483965	1	40	-2.0	-121.80	356.86	5.95	-115.85
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)C(C(=O)[O-])=C1	REAL300000483966	0	43	-2.0	-144.75	375.83	6.71	-138.04
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)C(C(=O)[O-])=C1	REAL300000483968	1	38	-2.0	-126.84	349.02	6.67	-120.17
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000483971	0	41	-2.0	-134.62	365.02	6.17	-128.45
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)C(C(=O)[O-])=C1	REAL300000483973	1	41	-2.0	-121.63	368.62	5.40	-116.23
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C(C(=O)[O-])=C1	REAL300000483974	1	41	-2.0	-132.82	375.18	2.96	-129.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C(C(=O)[O-])=C1	REAL300000483976	0	35	-2.0	-117.93	334.01	6.07	-111.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2F)C(C(=O)[O-])=C1	REAL300000483977	0	42	-2.0	-141.48	376.33	4.38	-137.10
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C(C(=O)[O-])=C1	REAL300000483978	1	41	-2.0	-136.92	375.18	2.96	-133.96
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C=C2F)C(C(=O)[O-])=C1	REAL300000483980	0	43	-2.0	-127.33	378.69	4.71	-122.62
CCOC1=CC=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000483982	0	39	-2.0	-116.34	349.43	5.35	-110.99
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000483982	1	38	-3.0	-200.98	349.59	5.35	-195.63
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C(C(=O)[O-])=C1	REAL300000483983	0	35	-2.0	-133.18	331.94	5.00	-128.18
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000483984	0	40	-2.0	-123.32	356.43	1.61	-121.71
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C(=O)[O-])=C1	REAL300000483985	0	42	-2.0	-98.95	363.38	4.73	-94.22
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2)C(C(=O)[O-])=C1	REAL300000483988	1	39	-2.0	-122.07	350.19	4.80	-117.27
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2)C(C(=O)[O-])=C1	REAL300000483993	0	35	-2.0	-122.51	319.02	3.15	-119.36
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000483994	1	40	-2.0	-112.31	358.19	6.88	-105.43
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)NC)=C2)C(C(=O)[O-])=C1	REAL300000483995	0	43	-2.0	-124.19	378.36	3.10	-121.09
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)C(C(=O)[O-])=C1	REAL300000483996	1	38	-2.0	-121.16	346.70	6.73	-114.43
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C(=O)[O-])=C1	REAL300000484000	0	37	-3.0	-191.15	352.08	5.69	-185.46
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000484001	1	36	-2.0	-113.84	350.68	6.25	-107.59
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C(C(=O)[O-])=C1	REAL300000484002	1	36	-2.0	-114.43	350.70	6.25	-108.18
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300000484003	0	44	-2.0	-97.53	370.56	7.23	-90.30
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000484004	1	39	-2.0	-130.61	352.84	5.81	-124.80
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000484006	0	35	-2.0	-128.75	336.14	6.00	-122.75
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2OC)C(C(=O)[O-])=C1	REAL300000484008	0	41	-2.0	-119.15	370.95	5.90	-113.25
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)C(C(=O)[O-])=C1	REAL300000484009	1	38	-2.0	-123.62	341.20	6.15	-117.47
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C(C(=O)[O-])=C1	REAL300000484011	0	38	-2.0	-132.35	341.39	6.17	-126.18
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)C(C(=O)[O-])=C1	REAL300000484012	1	38	-2.0	-121.00	336.37	6.28	-114.72
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000484013	0	40	-2.0	-140.84	348.11	7.70	-133.14
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C(C(=O)[O-])=C1	REAL300000484014	1	45	-2.0	-135.12	386.62	5.29	-129.83
CCOC1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484015	0	35	-2.0	-100.36	334.12	5.01	-95.35
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484015	1	34	-3.0	-197.39	334.60	5.04	-192.35
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484016	0	42	-2.0	-125.22	368.37	6.01	-119.21
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000484018	0	37	-2.0	-130.83	341.96	6.93	-123.90
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C(C(=O)[O-])=C1	REAL300000484019	1	45	-2.0	-127.73	388.66	8.85	-118.88
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2O)C(C(=O)[O-])=C1	REAL300000484022	0	39	-2.0	-125.95	345.67	3.80	-122.15
CCOC1=CC=C(NS(=O)(=O)C2=CC(C)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000484022	1	39	-2.0	-113.28	339.66	4.67	-108.61
CCOC1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C(C(=O)[O-])=C1	REAL300000484023	0	32	-2.0	-119.14	296.06	1.84	-117.30
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C(C(=O)[O-])=C1	REAL300000484024	0	44	-2.0	-102.02	369.77	7.09	-94.93
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C(C(=O)[O-])=C1	REAL300000484025	0	38	-2.0	-131.21	354.00	6.34	-124.87
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)S2)C(C(=O)[O-])=C1	REAL300000484026	0	38	-2.0	-118.58	362.36	5.20	-113.38
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000484027	0	43	-2.0	-139.40	374.69	8.07	-131.33
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C(C(=O)[O-])=C1	REAL300000484028	1	39	-2.0	-117.30	352.29	5.81	-111.49
CCOC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000484029	0	35	-2.0	-122.93	329.39	5.80	-117.13
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484030	0	37	-3.0	-190.52	345.94	5.14	-185.38
CCOC1=CC=C(NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484030	1	38	-2.0	-97.35	343.61	4.68	-92.67
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C(C(=O)[O-])=C1	REAL300000484031	0	38	-2.0	-147.79	342.67	4.64	-143.15
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC=C2F)C(C(=O)[O-])=C1	REAL300000484032	0	41	-2.0	-130.40	374.74	6.15	-124.25
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2OCC)C(C(=O)[O-])=C1	REAL300000484033	0	45	-2.0	-135.99	386.00	6.82	-129.17
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C(C(=O)[O-])=C1	REAL300000484034	1	40	-2.0	-135.72	362.81	5.61	-130.11
CCOC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000484035	0	37	-2.0	-142.33	340.50	7.07	-135.26
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(=O)[O-])=C1	REAL300000484036	0	41	-3.0	-212.01	371.86	5.09	-206.92
CCOC1=CC=C(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C(=O)[O-])=C1	REAL300000484036	1	42	-2.0	-109.69	369.22	4.61	-105.08
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000484037	0	42	-2.0	-125.46	375.05	6.56	-118.90
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000484038	0	34	-2.0	-116.27	315.88	3.72	-112.55
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CS2)C(C(=O)[O-])=C1	REAL300000484039	0	38	-2.0	-124.31	362.53	5.11	-119.20
CCOC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2CC)C(C(=O)[O-])=C1	REAL300000484040	1	43	-2.0	-114.25	368.31	7.63	-106.62
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C(C(=O)[O-])=C1	REAL300000484041	1	40	-2.0	-128.17	350.64	5.86	-122.31
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C(C(=O)[O-])=C1	REAL300000484042	0	34	-2.0	-117.43	339.62	4.57	-112.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C=N2)C(C(=O)[O-])=C1	REAL300000484043	0	35	-2.0	-134.33	318.49	4.54	-129.79
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)C(C(=O)[O-])=C1	REAL300000484045	1	43	-2.0	-120.81	380.79	5.17	-115.64
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)C(C(=O)[O-])=C1	REAL300000484046	0	39	-2.0	-115.52	354.23	2.42	-113.10
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000484048	0	35	-2.0	-130.11	326.25	5.57	-124.54
CCOC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(OC)C=C2F)C(C(=O)[O-])=C1	REAL300000484049	0	39	-2.0	-129.17	352.45	5.02	-124.15
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000484050	0	41	-2.0	-93.23	359.62	6.72	-86.51
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000484050	1	40	-3.0	-188.77	363.65	6.82	-181.95
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C(C(=O)[O-])=C1	REAL300000484051	0	41	-2.0	-132.98	357.61	5.09	-127.89
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C)=N2)C(C(=O)[O-])=C1	REAL300000484052	0	38	-2.0	-140.10	338.17	4.33	-135.77
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C(C(=O)[O-])=C1	REAL300000484053	0	39	-2.0	-128.44	352.49	5.49	-122.95
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC)C=C2C(=O)[O-])=C1	REAL300000484054	1	44	-2.0	-129.47	391.14	7.02	-122.45
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)N=C2)C(C(=O)[O-])=C1	REAL300000484055	0	38	-2.0	-122.86	340.56	4.01	-118.85
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(COC)=C2)C(C(=O)[O-])=C1	REAL300000484056	1	42	-2.0	-128.38	369.54	5.16	-123.22
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C(C(=O)[O-])=C1	REAL300000484057	1	40	-2.0	-125.66	350.45	4.74	-120.92
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000484058	0	35	-2.0	-120.51	334.01	6.07	-114.44
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000484060	1	39	-2.0	-118.40	358.77	2.29	-116.11
CCOC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C)C(C(=O)[O-])=C1	REAL300000484061	0	35	-2.0	-120.35	314.87	2.49	-117.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC)=C2)C(C(=O)[O-])=C1	REAL300000484062	1	39	-2.0	-129.00	343.97	4.74	-124.26
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)N=C(NC(C)=O)S2)C(C(=O)[O-])=C1	REAL300000484064	0	41	-2.0	-129.87	376.11	3.65	-126.22
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)N=C([N-]C(C)=O)S2)C(C(=O)[O-])=C1	REAL300000484064	1	40	-3.0	-198.42	372.79	2.54	-195.88
CCOC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2)C(C(=O)[O-])=C1	REAL300000484065	0	35	-2.0	-132.52	319.32	2.97	-129.55
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C)C(C(=O)[O-])=C1	REAL300000484066	0	35	-2.0	-117.94	314.72	3.08	-114.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000484070	0	38	-2.0	-131.81	341.39	6.18	-125.63
CCOC1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C(C(=O)[O-])=C1	REAL300000484072	0	32	-2.0	-131.76	295.79	2.83	-128.93
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)O2)C(C(=O)[O-])=C1	REAL300000484073	0	38	-2.0	-120.07	354.02	4.24	-115.83
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000484074	0	40	-2.0	-144.31	354.42	6.07	-138.24
CCOC1=CC=C(NS(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484075	0	38	-2.0	-99.81	349.25	5.44	-94.37
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484075	1	37	-3.0	-193.89	351.56	5.89	-188.00
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)OC)=C2C)C(C(=O)[O-])=C1	REAL300000484076	1	44	-2.0	-129.91	379.31	6.74	-123.17
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000484077	0	39	-2.0	-126.94	357.08	5.30	-121.64
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)C(C(=O)[O-])=C1	REAL300000484078	0	37	-2.0	-117.19	345.13	4.66	-112.53
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)OC)C=C2)C(C(=O)[O-])=C1	REAL300000484080	1	44	-2.0	-130.81	391.43	6.89	-123.92
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)C(C(=O)[O-])=C1	REAL300000484082	0	47	-2.0	-126.36	393.60	6.04	-120.32
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CS2)C(C(=O)[O-])=C1	REAL300000484083	0	35	-2.0	-125.70	322.70	5.26	-120.44
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)N(CC)N=C2C)C(C(=O)[O-])=C1	REAL300000484084	0	44	-2.0	-125.41	372.98	5.34	-120.07
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C(C)=C2)C(C(=O)[O-])=C1	REAL300000484085	1	44	-2.0	-121.47	385.28	6.63	-114.84
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000484086	1	40	-2.0	-114.22	358.70	6.62	-107.60
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000484087	1	43	-2.0	-138.64	374.07	3.89	-134.75
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)C(C(=O)[O-])=C1	REAL300000484088	1	39	-2.0	-119.54	350.74	6.62	-112.92
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(NC(C)=O)=C2)C(C(=O)[O-])=C1	REAL300000484089	1	42	-2.0	-136.33	375.65	4.46	-131.87
CCOC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000484090	0	40	-2.0	-123.50	364.16	6.70	-116.80
CCOC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2OC)C(C(=O)[O-])=C1	REAL300000484092	0	39	-2.0	-127.78	352.12	5.91	-121.87
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)C(C(=O)[O-])=C1	REAL300000484093	1	39	-2.0	-116.42	350.72	6.60	-109.82
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000484094	0	36	-2.0	-121.20	340.78	5.89	-115.31
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)C(C(=O)[O-])=C1	REAL300000484095	1	40	-2.0	-124.55	358.12	3.10	-121.45
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000484096	0	41	-2.0	-123.66	359.23	4.53	-119.13
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC(=O)OC)N=C2)C(C(=O)[O-])=C1	REAL300000484098	0	41	-2.0	-126.85	373.86	4.21	-122.64
CCOC1=CC=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C(C(=O)[O-])=C1	REAL300000484099	0	41	-2.0	-137.61	358.45	3.88	-133.73
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000484100	0	38	-2.0	-127.22	356.31	7.25	-119.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000484103	1	35	-2.0	-109.53	333.47	5.62	-103.91
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000484104	1	46	-2.0	-123.42	396.92	7.27	-116.15
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000484106	0	42	-2.0	-129.01	375.64	5.55	-123.46
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000484108	0	38	-2.0	-94.09	353.17	6.12	-87.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(=O)[O-])=C1	REAL300000484108	1	37	-3.0	-184.59	355.99	6.56	-178.03
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000484109	0	38	-2.0	-101.96	345.53	5.98	-95.98
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000484109	1	37	-3.0	-185.81	347.45	6.04	-179.77
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(=O)[O-])=C1	REAL300000484112	0	34	-3.0	-189.25	335.21	5.13	-184.12
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000484113	0	44	-2.0	-134.29	379.03	6.70	-127.59
CCOC1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484114	0	38	-2.0	-95.62	347.70	6.00	-89.62
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484114	1	37	-3.0	-192.75	349.35	6.07	-186.68
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000484115	0	40	-3.0	-199.29	368.69	6.69	-192.60
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000484115	1	41	-2.0	-112.28	366.29	6.24	-106.04
CCOC1=CC=C([N-]S(=O)(=O)C2=CNC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000484116	0	39	-2.0	-125.70	357.88	3.78	-121.92
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000484117	0	37	-3.0	-188.27	348.41	6.07	-182.20
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000484117	1	38	-2.0	-107.82	345.98	5.61	-102.21
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000484118	0	38	-2.0	-99.60	353.50	6.33	-93.27
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)C(C(=O)[O-])=C1	REAL300000484119	1	38	-2.0	-122.58	335.27	6.25	-116.33
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000484120	1	44	-2.0	-123.64	385.32	6.62	-117.02
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000484121	0	38	-2.0	-124.55	361.75	5.11	-119.44
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000484122	1	41	-2.0	-117.55	373.81	6.12	-111.43
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)N=C(C)S2)C(C(=O)[O-])=C1	REAL300000484123	0	37	-2.0	-123.25	339.70	4.01	-119.24
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C(C(=O)[O-])=C1	REAL300000484124	1	39	-2.0	-129.55	356.73	6.61	-122.94
CCOC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C(NC(C)=O)=C2)C(C(=O)[O-])=C1	REAL300000484125	1	43	-2.0	-105.01	374.46	2.31	-102.70
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC)=C2)C(C(=O)[O-])=C1	REAL300000484126	1	41	-2.0	-128.32	357.37	6.87	-121.45
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000484127	1	38	-2.0	-123.32	342.31	6.17	-117.15
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(C)O2)C(C(=O)[O-])=C1	REAL300000484128	0	41	-2.0	-121.67	372.37	4.90	-116.77
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000484131	0	38	-2.0	-122.95	346.66	6.20	-116.75
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000484132	1	41	-2.0	-136.40	355.52	7.75	-128.65
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C(C(=O)[O-])=C1	REAL300000484133	0	37	-2.0	-124.61	346.47	4.92	-119.69
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(=O)[O-])=C1	REAL300000484134	0	38	-3.0	-194.30	352.66	3.70	-190.60
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000484134	1	38	-3.0	-178.91	346.42	4.06	-174.85
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000484136	0	41	-2.0	-100.73	363.49	6.72	-94.01
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000484136	1	40	-3.0	-188.54	365.11	6.78	-181.76
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC)C=C2C(=O)[O-])O1	REAL300000484137	0	41	-2.0	-120.39	375.88	5.17	-115.22
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484138	0	37	-2.0	-114.08	349.10	6.18	-107.90
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)=O)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000484139	0	40	-2.0	-133.79	370.31	6.49	-127.30
CCOC1=CC=C([N-]S(=O)(=O)C2=C(OC)C=CS2)C(C(=O)[O-])=C1	REAL300000484140	0	36	-2.0	-132.03	336.65	3.72	-128.31
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)C(C(=O)[O-])=C1	REAL300000484141	0	41	-2.0	-128.72	371.23	6.54	-122.18
CCOC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(C(=O)[O-])=C1	REAL300000484142	0	38	-2.0	-130.21	344.25	5.83	-124.38
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)C(C(=O)[O-])=C1	REAL300000484143	0	43	-2.0	-146.61	375.99	6.67	-139.94
CCOC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000484144	0	40	-2.0	-122.92	368.49	6.83	-116.09
CCOC1=CC=C([N-]S(=O)(=O)C2=CSN=C2C(=O)OC)C(C(=O)[O-])=C1	REAL300000484145	0	37	-2.0	-131.08	347.72	4.18	-126.90
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C(C(=O)[O-])=C1	REAL300000484146	0	35	-2.0	-115.33	329.45	4.39	-110.94
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C(C(=O)[O-])=C1	REAL300000484147	0	35	-2.0	-134.12	334.82	4.26	-129.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC(OC)=C2)C(C(=O)[O-])=C1	REAL300000484148	1	43	-2.0	-130.42	373.46	4.05	-126.37
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C(C(=O)[O-])=C1	REAL300000484149	0	36	-2.0	-132.46	330.32	4.18	-128.28
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C(C(=O)[O-])=C1	REAL300000484150	0	36	-2.0	-115.14	336.70	3.27	-111.87
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(C)S2)C(C(=O)[O-])=C1	REAL300000484151	0	34	-2.0	-122.02	323.00	3.27	-118.75
CCOC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)C(C(=O)[O-])=C1	REAL300000484152	1	40	-2.0	-111.44	362.69	6.91	-104.53
CCOC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000484153	0	41	-2.0	-119.45	350.03	6.60	-112.85
CCOC1=CC=C(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484155	0	41	-2.0	-101.81	366.11	6.59	-95.22
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C(=O)[O-])=C1	REAL300000484156	0	41	-2.0	-101.11	354.59	6.69	-94.42
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000484157	0	38	-2.0	-125.37	346.67	6.21	-119.16
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(OC)=C2)C(C(=O)[O-])=C1	REAL300000484158	0	41	-2.0	-113.97	370.01	6.19	-107.78
CCOC1=CC=C(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484159	0	44	-2.0	-102.15	373.84	7.00	-95.15
CCOC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C(C(=O)[O-])=C1	REAL300000484160	0	38	-2.0	-123.45	359.82	6.92	-116.53
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484162	1	40	-2.0	-114.97	367.52	6.77	-108.20
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C(C(=O)[O-])=C1	REAL300000484163	0	34	-2.0	-122.18	333.45	4.89	-117.29
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000484164	0	41	-2.0	-134.19	359.92	5.83	-128.36
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)N=C2)C(C(=O)[O-])=C1	REAL300000484165	0	40	-2.0	-116.64	365.22	4.27	-112.37
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C(C(=O)[O-])=C1	REAL300000484166	0	34	-2.0	-113.07	339.90	4.62	-108.45
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000484167	0	44	-2.0	-124.74	373.63	7.34	-117.40
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000484168	0	40	-3.0	-198.93	364.42	6.60	-192.33
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000484168	1	41	-2.0	-113.01	365.68	6.25	-106.76
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000484169	0	40	-3.0	-215.36	367.99	6.69	-208.67
CCOC1=CC=C(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000484169	1	41	-2.0	-120.54	365.66	6.24	-114.30
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)CC)=C2)C(C(=O)[O-])=C1	REAL300000484170	1	43	-2.0	-137.07	377.57	6.71	-130.36
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CCOC)N=C2)C(C(=O)[O-])=C1	REAL300000484171	0	42	-2.0	-121.03	374.23	3.06	-117.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)N=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000484172	0	40	-2.0	-132.82	364.79	6.29	-126.53
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484173	0	44	-2.0	-101.25	375.39	7.13	-94.12
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C(C(=O)[O-])=C1	REAL300000484174	0	46	-2.0	-123.17	391.64	3.97	-119.20
CCOC1=CC=C(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)C(C(=O)[O-])=C1	REAL300000484177	0	41	-2.0	-94.03	359.66	5.84	-88.19
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000484178	0	44	-2.0	-126.81	387.47	7.09	-119.72
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(OCC)C=C2C(=O)[O-])=C1	REAL300000484179	0	41	-2.0	-133.47	361.80	6.20	-127.27
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C(C(=O)[O-])=C1	REAL300000484180	0	43	-2.0	-121.28	372.52	3.18	-118.10
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)C(C(=O)[O-])=C1	REAL300000484181	0	38	-2.0	-133.34	340.29	6.15	-127.19
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC)N=C2)C(C(=O)[O-])=C1	REAL300000484182	1	41	-2.0	-119.17	363.51	3.06	-116.11
CCOC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C(C(=O)[O-])=C1	REAL300000484183	0	42	-2.0	-141.59	360.43	5.47	-136.12
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(COC)C=C2)C(C(=O)[O-])=C1	REAL300000484184	1	42	-2.0	-125.91	369.54	5.17	-120.74
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2O)C(C(=O)[O-])=C1	REAL300000484185	0	40	-2.0	-125.77	353.75	2.42	-123.35
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)C(C(=O)[O-])=C1	REAL300000484186	0	38	-2.0	-128.00	346.34	6.58	-121.42
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C)=C2)C(C(=O)[O-])=C1	REAL300000484188	0	38	-2.0	-123.08	337.43	5.02	-118.06
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C(C(=O)[O-])=C1	REAL300000484189	0	41	-2.0	-132.44	360.73	3.11	-129.33
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2COC)C(C(=O)[O-])=C1	REAL300000484191	1	42	-2.0	-125.75	361.09	5.48	-120.27
CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000484192	0	44	-2.0	-115.23	387.70	5.74	-109.49
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)O2)C(C(=O)[O-])=C1	REAL300000484194	0	35	-2.0	-126.27	319.08	4.25	-122.02
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)S2)C(C(=O)[O-])=C1	REAL300000484195	0	38	-2.0	-127.25	348.12	5.85	-121.40
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000484197	0	43	-2.0	-144.48	368.11	7.20	-137.28
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C(C(=O)[O-])=C1	REAL300000484198	0	41	-2.0	-130.44	363.75	7.46	-122.98
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000484199	0	37	-2.0	-110.91	347.21	6.13	-104.78
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000484200	1	35	-2.0	-116.69	337.62	6.03	-110.66
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000484201	0	41	-2.0	-117.56	372.34	5.00	-112.56
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000484202	0	34	-2.0	-116.57	326.23	4.14	-112.43
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C)=N2)C(C(=O)[O-])=C1	REAL300000484203	0	41	-2.0	-136.98	360.09	5.23	-131.75
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000484204	0	38	-2.0	-127.43	349.02	6.67	-120.76
CCOC1=CC=C(NS(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484205	0	42	-2.0	-117.82	370.81	6.20	-111.62
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484205	1	41	-3.0	-202.76	370.97	6.22	-196.54
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CO2)C(C(=O)[O-])=C1	REAL300000484206	0	38	-2.0	-124.25	354.37	4.19	-120.06
CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)N(C)N=C2CC)C(C(=O)[O-])=C1	REAL300000484207	0	47	-2.0	-126.61	393.96	5.99	-120.62
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC)C=C2C(=O)[O-])=CN1C	REAL300000484208	0	45	-2.0	-128.61	397.51	6.47	-122.14
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000484209	1	43	-2.0	-122.42	374.16	7.38	-115.04
CCOC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000484210	0	35	-2.0	-130.29	330.53	6.24	-124.05
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)C(C(=O)[O-])=C1	REAL300000484211	0	37	-2.0	-125.33	344.37	4.76	-120.57
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2OC)C(C(=O)[O-])=C1	REAL300000484212	0	40	-2.0	-123.17	363.52	5.63	-117.54
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(CC)S2)C(C(=O)[O-])=C1	REAL300000484213	0	37	-2.0	-121.70	344.49	4.02	-117.68
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(CC)C3=C2)C(C(=O)[O-])=C1	REAL300000484214	0	42	-2.0	-114.94	375.72	3.15	-111.79
CCOC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)S2)C(C(=O)[O-])=C1	REAL300000484215	0	37	-2.0	-119.83	352.61	5.77	-114.06
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000484216	0	38	-2.0	-115.06	355.33	3.40	-111.66
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000484217	0	37	-2.0	-114.22	349.19	4.69	-109.53
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000484218	1	41	-2.0	-122.45	375.68	6.16	-116.29
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)C(C(=O)[O-])=C1	REAL300000484219	0	50	-2.0	-125.31	413.74	6.92	-118.39
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C(C(=O)[O-])=C1	REAL300000484221	0	36	-2.0	-116.75	348.37	6.39	-110.36
CCOC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C(C(=O)[O-])=C1	REAL300000484222	0	38	-2.0	-136.80	342.41	5.75	-131.05
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000484223	0	40	-2.0	-122.00	364.43	4.30	-117.70
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C(C(=O)[O-])=C1	REAL300000484224	0	32	-2.0	-119.76	318.86	4.16	-115.60
CCOC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300000484225	1	43	-2.0	-120.56	374.17	7.40	-113.16
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000484227	0	35	-2.0	-118.87	343.47	5.66	-113.21
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000484228	1	38	-2.0	-127.14	346.66	6.31	-120.83
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000484229	0	38	-2.0	-120.12	353.55	4.30	-115.82
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2SC)C(C(=O)[O-])=C1	REAL300000484230	1	39	-2.0	-132.10	350.56	6.51	-125.59
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C1	REAL300000484231	0	43	-2.0	-121.21	383.92	6.72	-114.49
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)OC)SC=C2C)C(C(=O)[O-])=C1	REAL300000484232	0	41	-2.0	-136.55	369.70	6.62	-129.93
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000484233	1	39	-2.0	-118.47	350.19	4.81	-113.66
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C(C(=O)[O-])=C1	REAL300000484234	0	32	-2.0	-124.52	297.16	3.43	-121.09
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C)C(C(=O)[O-])=C1	REAL300000484235	0	34	-2.0	-112.45	308.94	1.86	-110.59
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C(C(=O)[O-])=C1	REAL300000484236	1	40	-2.0	-120.54	358.83	4.57	-115.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484237	0	34	-2.0	-115.11	335.65	5.21	-109.90
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C(C(=O)[O-])=C1	REAL300000484240	0	39	-2.0	-131.35	342.60	4.88	-126.47
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000484241	0	36	-2.0	-119.36	348.40	6.39	-112.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000484242	0	38	-2.0	-120.90	358.43	4.51	-116.39
CCOC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C(C(=O)[O-])=C1	REAL300000484245	0	39	-2.0	-141.61	352.86	5.51	-136.10
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)N(CC3CC3)N=C2C)C(C(=O)[O-])=C1	REAL300000484246	0	48	-2.0	-125.34	404.67	6.90	-118.44
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)C(C(=O)[O-])=C1	REAL300000484247	0	43	-2.0	-144.63	372.37	6.62	-138.01
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000484248	1	39	-2.0	-129.24	365.74	2.73	-126.51
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000484249	0	36	-2.0	-133.60	339.25	3.75	-129.85
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=CC(OC)=C2)C(C(=O)[O-])=C1	REAL300000484250	0	38	-2.0	-122.95	339.05	2.92	-120.03
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2OC)C(C(=O)[O-])=C1	REAL300000484253	0	41	-2.0	-120.35	360.87	6.54	-113.81
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)C(C(=O)[O-])=C1	REAL300000484254	1	45	-2.0	-127.38	383.74	5.13	-122.25
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(NC(C)=O)S2)C(C(=O)[O-])=C1	REAL300000484255	0	38	-2.0	-129.44	359.43	2.93	-126.51
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)C(C(=O)[O-])=C1	REAL300000484255	1	37	-3.0	-197.27	356.16	1.80	-195.47
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C(F)=C2)C(C(=O)[O-])=C1	REAL300000484256	1	42	-2.0	-125.30	375.65	4.46	-120.84
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C(C(=O)[O-])=C1	REAL300000484257	1	39	-2.0	-130.59	339.19	6.76	-123.83
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C(C(=O)[O-])=C1	REAL300000484258	1	39	-2.0	-129.10	356.65	6.62	-122.48
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C(C(=O)[O-])=C1	REAL300000484259	0	35	-2.0	-118.80	344.34	6.51	-112.29
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)ON=C2N)C(C(=O)[O-])=C1	REAL300000484261	0	36	-2.0	-115.94	322.01	2.81	-113.13
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000484262	0	39	-2.0	-128.24	359.47	5.75	-122.49
CCOC1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000484263	1	36	-2.0	-120.23	341.98	4.21	-116.02
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=CC=C2C)C(C(=O)[O-])=C1	REAL300000484264	1	42	-2.0	-127.35	359.45	5.51	-121.84
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C(C(=O)[O-])=C1	REAL300000484267	0	33	-2.0	-115.00	327.00	4.99	-110.01
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2)C(C(=O)[O-])=C1	REAL300000484268	1	37	-2.0	-123.54	331.08	4.28	-119.26
CCOC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C(C(=O)[O-])=C1	REAL300000484269	0	40	-2.0	-127.40	355.66	5.81	-121.59
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C=C2F)C(C(=O)[O-])=C1	REAL300000484270	0	41	-2.0	-125.47	374.73	6.17	-119.30
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C(F)=C2)C(C(=O)[O-])=C1	REAL300000484271	1	41	-2.0	-119.19	373.79	6.13	-113.06
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)C(C(=O)[O-])=C1	REAL300000484272	1	39	-2.0	-117.39	354.44	6.33	-111.06
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000484273	0	34	-2.0	-110.46	332.22	4.12	-106.34
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C=C2F)C(C(=O)[O-])=C1	REAL300000484275	0	39	-2.0	-129.11	349.46	4.80	-124.31
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000484277	1	38	-2.0	-124.21	348.65	6.37	-117.84
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C(C(=O)[O-])=C1	REAL300000484278	1	45	-2.0	-132.69	388.68	8.85	-123.84
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)C=NN2C)C(C(=O)[O-])=C1	REAL300000484280	0	38	-2.0	-119.13	331.34	3.90	-115.23
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C(C(=O)[O-])=C1	REAL300000484281	0	33	-2.0	-116.53	318.41	3.99	-112.54
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C(C(=O)[O-])=C1	REAL300000484282	1	32	-2.0	-121.96	305.58	4.35	-117.61
CCOC1=CC=C([N-]S(=O)(=O)C2=COC=C2)C(C(=O)[O-])=C1	REAL300000484283	0	32	-2.0	-122.29	297.01	3.32	-118.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(COC)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000484284	0	46	-2.0	-136.31	397.81	4.95	-131.36
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C(=O)[O-])=C1	REAL300000484285	0	41	-2.0	-103.39	358.09	6.56	-96.83
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)N=C2)C(C(=O)[O-])=C1	REAL300000484286	1	38	-2.0	-119.02	341.65	2.13	-116.89
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C(C(=O)[O-])=C1	REAL300000484287	0	35	-2.0	-125.43	336.71	6.02	-119.41
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OCC)C=C2C(=O)[O-])=C1	REAL300000484288	0	44	-2.0	-127.78	392.01	8.21	-119.57
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000484289	0	44	-2.0	-127.33	387.83	7.92	-119.41
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000484290	0	38	-2.0	-128.98	350.98	6.80	-122.18
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C(C(=O)[O-])=C1	REAL300000484291	0	46	-2.0	-140.77	392.20	6.66	-134.11
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000484292	0	38	-2.0	-130.81	341.08	4.08	-126.73
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC)C=C2C(=O)[O-])=C1	REAL300000484293	1	42	-2.0	-129.19	365.83	5.66	-123.53
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000484294	0	35	-2.0	-126.16	336.82	6.30	-119.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)C(C(=O)[O-])=C1	REAL300000484295	1	44	-2.0	-130.62	381.78	8.37	-122.25
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C(C(=O)[O-])=C1	REAL300000484296	0	32	-2.0	-121.39	322.46	4.89	-116.50
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CS2)C(C(=O)[O-])=C1	REAL300000484297	0	35	-2.0	-124.71	328.05	5.10	-119.61
CCOC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C(C(=O)[O-])=C1	REAL300000484298	0	32	-2.0	-120.49	312.76	2.25	-118.24
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C(C(=O)[O-])=C1	REAL300000484299	0	34	-2.0	-121.05	321.40	3.56	-117.49
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)C(C(=O)[O-])=C1	REAL300000484300	0	44	-2.0	-120.97	379.02	4.50	-116.47
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000484301	1	44	-2.0	-119.85	383.65	4.00	-115.85
CCOC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(C(=O)[O-])=C1	REAL300000484303	0	38	-2.0	-123.20	350.66	5.90	-117.30
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NS2)C(C(=O)[O-])=C1	REAL300000484304	0	34	-2.0	-118.07	322.97	3.73	-114.34
CCOC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C(C(=O)[O-])=C1	REAL300000484307	0	32	-2.0	-123.09	312.76	4.48	-118.61
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000484308	0	38	-2.0	-125.70	353.12	4.29	-121.41
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C(C(=O)[O-])=C1	REAL300000484309	1	44	-2.0	-126.94	379.31	7.03	-119.91
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C(C(=O)[O-])=C1	REAL300000484310	1	36	-2.0	-113.78	341.18	5.87	-107.91
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C([N+](=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000484311	0	40	-2.0	-118.33	366.84	6.80	-111.53
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C(=O)[O-])=C1	REAL300000484312	0	41	-2.0	-96.99	359.13	6.72	-90.27
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C(C(=O)[O-])=C1	REAL300000484313	0	36	-2.0	-124.79	347.37	4.73	-120.06
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C(C(=O)[O-])=C1	REAL300000484316	0	35	-2.0	-116.04	347.06	5.63	-110.41
CCOC1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C(C(=O)[O-])=C1	REAL300000484317	0	32	-2.0	-130.40	296.10	2.02	-128.38
CCOC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000484318	0	40	-2.0	-131.04	351.47	2.35	-128.69
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)S2)C(C(=O)[O-])=C1	REAL300000484319	0	38	-2.0	-127.37	344.59	6.07	-121.30
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(C)C(C(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000484320	0	43	-2.0	-117.92	380.71	4.79	-113.13
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)C(C(=O)[O-])=C1	REAL300000484321	1	37	-2.0	-115.81	342.03	4.82	-110.99
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC(=O)OC)=C2)C(C(=O)[O-])=C1	REAL300000484322	1	44	-2.0	-131.73	391.43	6.88	-124.85
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C(C(=O)[O-])=C1	REAL300000484323	1	37	-2.0	-114.83	354.22	5.31	-109.52
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000484325	0	38	-2.0	-121.82	335.14	3.66	-118.16
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C)C(C(=O)[O-])=C1	REAL300000484327	0	38	-2.0	-124.02	337.86	3.80	-120.22
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(COC)=C2)C(C(=O)[O-])=C1	REAL300000484328	1	42	-2.0	-123.13	386.28	5.67	-117.46
CCOC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000484329	0	35	-2.0	-121.85	330.13	2.97	-118.88
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000484330	0	41	-2.0	-122.01	360.78	5.36	-116.65
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(OC)=C2)C(C(=O)[O-])=C1	REAL300000484332	1	39	-2.0	-119.34	360.00	5.30	-114.04
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000484333	0	37	-3.0	-214.00	346.58	6.02	-207.98
CCOC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000484333	1	38	-2.0	-119.54	344.21	5.57	-113.97
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C(C(=O)[O-])=C1	REAL300000484334	0	32	-2.0	-129.01	313.83	3.44	-125.57
CCOC1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C(C(=O)[O-])=C1	REAL300000484335	0	37	-2.0	-137.97	345.67	4.86	-133.11
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C(C(=O)[O-])=C1	REAL300000484336	1	40	-2.0	-129.51	350.28	5.28	-124.23
CCOC1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000484337	0	41	-2.0	-137.28	364.99	7.75	-129.53
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000484338	0	38	-2.0	-127.02	341.60	6.94	-120.08
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C(C(=O)[O-])=C1	REAL300000484339	0	40	-2.0	-137.88	350.79	5.25	-132.63
CCOC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)C(C(=O)[O-])=C1	REAL300000484344	0	38	-2.0	-133.46	344.39	6.39	-127.07
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C(C(=O)[O-])=C1	REAL300000484345	0	34	-2.0	-116.91	339.52	4.64	-112.27
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C(C(=O)[O-])=C1	REAL300000484346	1	40	-2.0	-125.06	358.33	3.90	-121.16
CCOC1=CC=C(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484348	0	41	-2.0	-108.97	362.27	6.49	-102.48
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484348	1	40	-3.0	-194.67	364.11	6.57	-188.10
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC)C(C(=O)[O-])=C1	REAL300000484350	0	39	-2.0	-128.12	349.14	5.29	-122.83
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484351	1	43	-2.0	-124.14	376.94	7.28	-116.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(OC)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000484353	0	38	-2.0	-115.65	357.72	2.67	-112.98
CCOC1=CC=C([N-]S(=O)(=O)C2=CON=C2C)C(C(=O)[O-])=C1	REAL300000484354	0	34	-2.0	-115.32	311.43	3.40	-111.92
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C(C(=O)[O-])=C1	REAL300000484355	1	38	-2.0	-120.67	349.94	6.55	-114.12
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000484356	1	41	-2.0	-136.21	362.57	6.43	-129.78
CCOC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC(C)=C2)C(C(=O)[O-])=C1	REAL300000484357	0	37	-2.0	-133.13	349.06	6.63	-126.50
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C(C(=O)[O-])=C1	REAL300000484359	1	38	-2.0	-119.12	356.47	3.63	-115.49
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C(C(=O)[O-])=C1	REAL300000484360	0	34	-2.0	-129.67	314.98	3.62	-126.05
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C(C(=O)[O-])=C1	REAL300000484362	0	34	-2.0	-114.80	315.88	3.60	-111.20
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000484365	1	35	-2.0	-116.06	337.07	6.01	-110.05
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C(C(=O)[O-])=C1	REAL300000484366	0	44	-2.0	-136.50	376.17	5.79	-130.71
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C(C(=O)[O-])=C1	REAL300000484367	0	43	-2.0	-136.69	366.66	6.65	-130.04
CCOC1=CC=C([N-]S(=O)(=O)C2=COC(C(=O)N(C)C)=C2C)C(C(=O)[O-])=C1	REAL300000484368	0	45	-2.0	-126.86	387.97	4.40	-122.46
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000484371	1	42	-2.0	-137.49	370.40	2.88	-134.61
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(C)CC)=C2)C(C(=O)[O-])=C1	REAL300000484375	1	48	-2.0	-130.05	404.51	7.10	-122.95
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000484378	0	40	-2.0	-130.31	362.28	7.56	-122.75
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CC3)C(CC)=N2)C(C(=O)[O-])=C1	REAL300000484379	0	48	-2.0	-141.18	413.35	7.39	-133.79
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)OC)O2)C(C(=O)[O-])=C1	REAL300000484380	0	41	-2.0	-121.27	371.92	4.82	-116.45
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000484381	0	38	-2.0	-123.15	354.23	4.94	-118.21
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)C(C(=O)[O-])=C1	REAL300000484382	1	43	-2.0	-122.58	378.55	7.76	-114.82
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C(C(=O)[O-])=C1	REAL300000484383	0	38	-2.0	-111.97	356.09	4.06	-107.91
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C(C(=O)[O-])=C1	REAL300000484384	0	34	-2.0	-121.95	331.86	4.05	-117.90
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C(C(=O)[O-])=C1	REAL300000484385	1	45	-2.0	-140.29	380.57	8.85	-131.44
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000484386	0	38	-2.0	-130.64	346.56	6.22	-124.42
CCOC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000484388	0	37	-2.0	-138.05	341.58	4.42	-133.63
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC)C=C2C(=O)[O-])C(C)=N1	REAL300000484389	0	47	-2.0	-123.66	402.39	6.21	-117.45
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(=O)[O-])=C1	REAL300000484390	0	36	-3.0	-201.46	339.15	4.12	-197.34
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)C(C(=O)[O-])=C1	REAL300000484391	0	39	-2.0	-120.57	343.28	5.41	-115.16
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C(C(=O)[O-])=C1	REAL300000484392	1	47	-2.0	-123.69	392.70	7.69	-116.00
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000484393	1	36	-2.0	-115.12	341.74	5.90	-109.22
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000484394	0	38	-2.0	-119.15	347.63	4.07	-115.08
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C(C(=O)[O-])=C1	REAL300000484395	0	37	-2.0	-138.01	337.65	4.62	-133.39
CCOC1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C(C(=O)[O-])=C1	REAL300000484395	1	37	-2.0	-124.88	337.75	4.49	-120.39
CCOC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000484396	0	39	-2.0	-135.63	348.22	5.41	-130.22
CCOC1=CC=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000484397	0	45	-2.0	-124.49	375.47	5.56	-118.93
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000484398	0	47	-2.0	-121.48	379.83	5.97	-115.51
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000484399	0	45	-2.0	-124.56	381.88	5.79	-118.77
CCOC1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000484400	0	36	-2.0	-106.28	324.67	4.07	-102.21
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C(C(=O)[O-])=C1	REAL300000484400	1	36	-2.0	-119.31	330.66	3.20	-116.11
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2CC)C(C(=O)[O-])=C1	REAL300000484402	0	41	-2.0	-121.17	353.59	4.50	-116.67
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)C(C(=O)[O-])=C1	REAL300000484403	1	40	-2.0	-124.45	359.49	5.91	-118.54
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C(C(=O)[O-])=C1	REAL300000484404	0	35	-2.0	-117.76	319.69	2.79	-114.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C(C(=O)[O-])=C1	REAL300000484407	1	42	-2.0	-128.95	378.23	7.40	-121.55
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=NS2)C(C(=O)[O-])=C1	REAL300000484409	0	35	-2.0	-115.11	333.72	1.24	-113.87
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C(C(=O)[O-])=C1	REAL300000484411	0	31	-2.0	-117.28	301.22	3.14	-114.14
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C(=O)[O-])=C1	REAL300000484413	0	41	-3.0	-192.23	371.14	5.79	-186.44
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C(=O)[O-])=C1	REAL300000484413	1	42	-2.0	-97.90	368.47	5.30	-92.60
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000484414	0	39	-2.0	-121.05	353.98	1.05	-120.00
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000484416	0	35	-2.0	-129.19	328.84	5.56	-123.63
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484417	0	34	-3.0	-185.37	343.04	4.98	-180.39
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C(C(=O)[O-])=C1	REAL300000484418	1	40	-2.0	-136.90	350.72	5.95	-130.95
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=CN2C)C(C(=O)[O-])=C1	REAL300000484419	0	42	-2.0	-127.17	375.89	5.63	-121.54
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C(C(=O)[O-])=C1	REAL300000484420	0	36	-2.0	-129.06	340.29	5.86	-123.20
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000484421	0	42	-2.0	-124.26	364.37	5.12	-119.14
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C(C(=O)[O-])=C1	REAL300000484422	0	42	-2.0	-121.80	361.77	5.31	-116.49
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C(C(=O)[O-])=C1	REAL300000484423	0	45	-2.0	-122.09	383.89	6.05	-116.04
CCOC1=CC=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C(C(=O)[O-])=C1	REAL300000484424	0	46	-2.0	-131.58	389.53	3.44	-128.14
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C(C(=O)[O-])=C1	REAL300000484425	1	41	-2.0	-123.20	365.20	2.68	-120.52
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C(C(=O)[O-])=C1	REAL300000484426	0	32	-2.0	-122.97	315.15	4.16	-118.81
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(OC)C(F)=C2)C(C(=O)[O-])=C1	REAL300000484427	1	39	-2.0	-115.18	360.35	4.99	-110.19
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C(C(=O)[O-])=C1	REAL300000484428	0	42	-2.0	-127.27	357.39	5.50	-121.77
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(OC)C=C2F)C(C(=O)[O-])=C1	REAL300000484429	0	39	-2.0	-122.82	355.66	4.88	-117.94
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C(C(=O)[O-])=C1	REAL300000484430	0	45	-2.0	-130.66	388.92	6.83	-123.83
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC=C2C)C(C(=O)[O-])=C1	REAL300000484431	1	38	-2.0	-122.26	337.38	6.14	-116.12
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C(C(=O)[O-])=C1	REAL300000484432	0	43	-2.0	-139.46	371.88	6.02	-133.44
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000484433	0	43	-2.0	-123.55	383.15	5.10	-118.45
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C(C(=O)[O-])=C1	REAL300000484434	1	43	-2.0	-126.65	382.76	7.64	-119.01
CCOC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC(F)=C2OC)C(C(=O)[O-])=C1	REAL300000484435	0	39	-2.0	-129.91	350.95	6.10	-123.81
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C(C(=O)[O-])=C1	REAL300000484436	0	32	-2.0	-122.08	319.91	4.88	-117.20
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000484437	0	37	-2.0	-115.36	348.37	4.60	-110.76
CCOC1=CC=C([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)C(C(=O)[O-])=C1	REAL300000484438	0	40	-2.0	-142.33	356.20	5.04	-137.29
CCOC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C(C(=O)[O-])=C1	REAL300000484439	1	36	-2.0	-113.99	329.36	4.23	-109.76
CCOC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C(C(=O)[O-])=C1	REAL300000484440	0	38	-2.0	-129.39	353.32	6.86	-122.53
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C(C(=O)[O-])=C1	REAL300000484441	0	38	-2.0	-140.66	359.39	5.14	-135.52
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C(C(=O)[O-])=C1	REAL300000484442	0	42	-2.0	-120.57	366.42	5.17	-115.40
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)C(C(=O)[O-])=C1	REAL300000484444	0	43	-2.0	-126.34	366.28	5.19	-121.15
CCOC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000484445	0	38	-2.0	-130.00	344.25	5.72	-124.28
CCOC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC(OC)=C2OC)C(C(=O)[O-])=C1	REAL300000484446	0	43	-2.0	-136.05	373.97	5.77	-130.28
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C(C(=O)[O-])=C1	REAL300000484447	0	48	-2.0	-129.69	403.24	6.35	-123.34
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C(C(=O)[O-])=C1	REAL300000484448	0	42	-2.0	-126.65	369.75	5.37	-121.28
CCOC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000484450	0	38	-2.0	-134.75	343.91	4.64	-130.11
CCOC1=CC=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C(C(=O)[O-])=C1	REAL300000484451	0	40	-2.0	-146.37	359.02	3.84	-142.53
CCOC1=CC=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000484452	0	42	-2.0	-126.61	355.15	7.41	-119.20
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)C(C(=O)[O-])=C1	REAL300000484453	1	39	-2.0	-125.84	342.49	3.15	-122.69
CCOC1=CC=C([N-]S(=O)(=O)C2=CSN=C2OC)C(C(=O)[O-])=C1	REAL300000484454	0	35	-2.0	-123.22	331.77	1.30	-121.92
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)NC=N2)C(C(=O)[O-])=C1	REAL300000484455	0	35	-2.0	-133.58	313.60	3.54	-130.04
CCOC1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C(C(=O)[O-])=C1	REAL300000484457	1	38	-2.0	-123.80	348.20	5.82	-117.98
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000484458	0	45	-2.0	-128.50	386.00	5.85	-122.65
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C(C(=O)[O-])=C1	REAL300000484459	0	32	-2.0	-121.46	320.28	4.98	-116.48
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000484460	0	45	-2.0	-124.86	388.45	6.08	-118.78
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C(C(=O)[O-])=C1	REAL300000484461	0	39	-2.0	-130.38	352.60	6.56	-123.82
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC)C=C2C(=O)[O-])=C1	REAL300000484462	1	44	-2.0	-128.47	378.87	7.65	-120.82
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=NN2C)C(C(=O)[O-])=C1	REAL300000484463	0	41	-2.0	-117.51	370.75	3.78	-113.73
CCOC1=CC=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000484464	0	42	-2.0	-125.14	360.17	4.97	-120.17
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000484466	0	44	-2.0	-118.25	361.46	5.35	-112.90
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000484467	0	44	-2.0	-124.73	378.97	5.16	-119.57
CCOC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000484468	0	42	-2.0	-124.68	363.06	4.53	-120.15
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000484469	1	46	-2.0	-123.99	388.75	6.26	-117.73
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C(C(=O)[O-])=C1	REAL300000484470	1	38	-2.0	-125.10	342.46	6.26	-118.84
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C(C(=O)[O-])=C1	REAL300000484471	0	35	-2.0	-122.91	336.06	5.81	-117.10
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000484472	0	35	-2.0	-116.33	346.20	5.54	-110.79
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NN2C)C(C(=O)[O-])=C1	REAL300000484473	0	38	-2.0	-119.36	336.66	3.66	-115.70
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000484476	1	38	-2.0	-133.14	334.23	6.71	-126.43
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC)C=C2C(=O)[O-])=C1	REAL300000484477	1	46	-2.0	-136.44	399.06	7.47	-128.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(COC(C)=O)C=C2)C(C(=O)[O-])=C1	REAL300000484479	1	44	-2.0	-126.47	392.91	7.09	-119.38
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C(C(=O)[O-])=C1	REAL300000484480	0	36	-2.0	-124.33	347.11	6.29	-118.04
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000484481	0	35	-2.0	-123.86	334.07	5.67	-118.19
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C(C(=O)[O-])=C1	REAL300000484482	1	42	-2.0	-128.88	363.69	7.55	-121.33
CCOC1=CC=C([N-]S(=O)(=O)C2=C(OC)SC=C2)C(C(=O)[O-])=C1	REAL300000484483	0	36	-2.0	-129.25	336.74	3.88	-125.37
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(C)S2)C(C(=O)[O-])=C1	REAL300000484484	0	41	-2.0	-120.88	379.45	5.74	-115.14
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C(C(=O)[O-])=C1	REAL300000484485	0	42	-2.0	-131.24	369.19	7.61	-123.63
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C(C(=O)[O-])=C1	REAL300000484486	0	45	-2.0	-122.59	379.29	6.05	-116.54
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)CC)C(C(=O)[O-])=C1	REAL300000484487	0	44	-2.0	-121.92	374.44	5.32	-116.60
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C(C(=O)[O-])=C1	REAL300000484489	0	40	-2.0	-137.43	358.08	3.80	-133.63
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)O2)C(C(=O)[O-])=C1	REAL300000484490	0	38	-2.0	-126.26	340.56	5.04	-121.22
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C(C(=O)[O-])=C1	REAL300000484491	0	35	-2.0	-118.00	338.34	4.66	-113.34
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2OC)C(C(=O)[O-])=C1	REAL300000484492	0	39	-2.0	-119.91	355.43	5.34	-114.57
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000484493	1	41	-2.0	-127.21	367.69	6.97	-120.24
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C(C(=O)[O-])=C1	REAL300000484494	1	39	-2.0	-125.99	353.73	5.02	-120.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)S2)C(C(=O)[O-])=C1	REAL300000484495	0	36	-2.0	-122.40	338.26	3.89	-118.51
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C(C(=O)[O-])=C1	REAL300000484497	0	38	-2.0	-119.93	347.15	4.14	-115.79
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC)C=C2C(=O)[O-])=C1	REAL300000484498	1	45	-2.0	-128.48	391.40	6.13	-122.35
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000484499	0	48	-2.0	-124.05	400.87	6.38	-117.67
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C(C(=O)[O-])=C1	REAL300000484500	1	38	-2.0	-125.99	335.04	6.41	-119.58
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C(C(=O)[O-])=C1	REAL300000484501	0	38	-2.0	-132.82	341.48	5.79	-127.03
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C(C(=O)[O-])=C1	REAL300000484502	1	37	-2.0	-128.26	345.43	4.82	-123.44
CCOC1=CC=C([N-]S(=O)(=O)C2=NN(CC)N=C2)C(C(=O)[O-])=C1	REAL300000484503	0	37	-2.0	-123.54	335.19	2.31	-121.23
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(CC)N=C2)C(C(=O)[O-])=C1	REAL300000484504	0	38	-2.0	-119.25	356.14	4.36	-114.89
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C(C(=O)[O-])=C1	REAL300000484505	0	32	-2.0	-119.28	314.23	4.05	-115.23
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000484506	1	44	-2.0	-137.38	373.24	8.28	-129.10
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000484508	0	35	-2.0	-120.91	341.99	6.05	-114.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000484510	0	39	-2.0	-126.70	358.30	6.75	-119.95
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484511	1	38	-2.0	-113.22	359.92	6.25	-106.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CO2)C(C(=O)[O-])=C1	REAL300000484513	0	35	-2.0	-125.34	319.06	4.10	-121.24
CCOC1=CC=C([N-]S(=O)(=O)C2=C(OC)C(OC)=CS2)C(C(=O)[O-])=C1	REAL300000484514	0	40	-2.0	-123.85	367.44	3.45	-120.40
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000484515	0	34	-2.0	-109.99	332.11	4.07	-105.92
CCOC1=CC=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C(C(=O)[O-])=C1	REAL300000484516	0	41	-2.0	-125.38	357.88	5.44	-119.94
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000484517	1	42	-2.0	-134.76	368.20	7.20	-127.56
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000484518	0	32	-2.0	-113.64	339.54	5.54	-108.10
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000484519	0	35	-2.0	-118.66	334.33	3.49	-115.17
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000484520	1	40	-2.0	-123.48	365.93	6.08	-117.40
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C(C(=O)[O-])=C1	REAL300000484521	1	41	-2.0	-136.36	350.96	7.24	-129.12
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C(C(=O)[O-])=C1	REAL300000484522	0	33	-2.0	-122.44	318.64	3.89	-118.55
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)C(C(=O)[O-])=C1	REAL300000484523	0	37	-2.0	-114.19	342.23	4.83	-109.36
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC)C=C2C(=O)[O-])=C1	REAL300000484524	1	46	-2.0	-130.05	398.11	7.07	-122.98
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)N=C2C2CC2)C(C(=O)[O-])=C1	REAL300000484525	0	45	-2.0	-126.98	391.28	6.23	-120.75
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000484526	0	39	-2.0	-130.74	352.72	4.80	-125.94
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NN2C2CCCC2)C(C(=O)[O-])=C1	REAL300000484528	0	48	-2.0	-124.14	401.16	6.64	-117.50
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(C(=O)[O-])=C1	REAL300000484529	0	32	-2.0	-120.90	313.25	3.94	-116.96
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C(C(=O)[O-])=C1	REAL300000484530	0	32	-2.0	-118.74	323.29	4.95	-113.79
CCOC1=CC=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000484531	0	43	-2.0	-122.53	366.77	3.20	-119.33
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)N=C2C)C(C(=O)[O-])=C1	REAL300000484535	1	41	-2.0	-118.68	357.32	2.88	-115.80
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)C(C(=O)[O-])=C1	REAL300000484536	0	41	-2.0	-131.01	361.89	3.26	-127.75
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2OC)C(C(=O)[O-])=C1	REAL300000484537	0	38	-2.0	-123.47	357.19	3.11	-120.36
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)C(C(=O)[O-])=C1	REAL300000484538	1	41	-2.0	-120.52	361.79	2.86	-117.66
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000484539	0	44	-2.0	-122.58	377.41	5.59	-116.99
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)C(C(=O)[O-])=C1	REAL300000484540	0	44	-2.0	-124.85	378.09	5.17	-119.68
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C(C(=O)[O-])=C1	REAL300000484541	0	34	-2.0	-121.49	341.81	3.42	-118.07
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C(C(=O)[O-])=C1	REAL300000484542	0	33	-2.0	-125.38	317.39	3.86	-121.52
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C(C(=O)[O-])=C1	REAL300000484543	0	33	-2.0	-120.70	326.53	4.77	-115.93
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C(C(=O)[O-])=C1	REAL300000484544	0	41	-2.0	-120.44	356.20	4.70	-115.74
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(=O)OC)C(C)=C2)C(C(=O)[O-])=C1	REAL300000484545	0	43	-2.0	-117.66	381.26	4.81	-112.85
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000484546	0	38	-2.0	-130.16	356.38	7.24	-122.92
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C(C(=O)[O-])=C1	REAL300000484547	0	42	-2.0	-119.77	366.69	5.54	-114.23
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000484548	0	42	-2.0	-127.58	368.19	6.58	-121.00
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000484550	0	44	-2.0	-122.95	377.56	5.25	-117.70
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C(C(=O)[O-])=C1	REAL300000484551	1	42	-2.0	-128.03	374.33	7.63	-120.40
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000484552	0	37	-2.0	-121.60	341.82	4.47	-117.13
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000484554	1	42	-2.0	-126.06	375.97	7.68	-118.38
CCOC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C(C(=O)[O-])=C1	REAL300000484555	0	39	-2.0	-128.99	364.93	5.90	-123.09
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C(C(=O)[O-])=C1	REAL300000484556	1	36	-2.0	-127.47	325.50	2.59	-124.88
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000484557	0	38	-2.0	-135.34	354.15	6.43	-128.91
CCOC1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C(C(=O)[O-])=C1	REAL300000484558	0	31	-2.0	-115.19	300.13	3.05	-112.14
CCOC1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000484559	0	39	-2.0	-139.25	362.37	4.70	-134.55
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C(C(=O)[O-])=C1	REAL300000484560	1	42	-2.0	-135.12	370.31	7.74	-127.38
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000484561	0	43	-2.0	-145.03	372.19	6.60	-138.43
CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484562	0	40	-3.0	-187.97	361.28	5.89	-182.08
CCOC1=CC=C(NS(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000484562	1	41	-2.0	-96.86	361.44	5.53	-91.33
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)C(C(=O)[O-])=C1	REAL300000484563	0	48	-2.0	-137.76	403.94	7.44	-130.32
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000484564	1	35	-2.0	-116.51	339.73	5.84	-110.67
CCOC1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C(C(=O)[O-])=C1	REAL300000484565	0	31	-2.0	-120.15	301.06	2.56	-117.59
CCOC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000484566	0	42	-2.0	-125.26	360.20	4.75	-120.51
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C(C(=O)[O-])=C1	REAL300000484567	0	38	-2.0	-132.35	341.39	6.17	-126.18
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2O1	REAL300000484568	0	41	-2.0	-106.38	364.09	6.05	-100.33
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2O1	REAL300000484569	0	41	-2.0	-96.26	359.52	6.03	-90.23
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2O1	REAL300000484570	0	41	-2.0	-108.78	359.54	6.01	-102.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3=O)C=C1C(=O)[O-]	REAL300000484571	0	44	-2.0	-110.28	375.56	6.56	-103.72
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2O1	REAL300000484572	0	41	-2.0	-106.16	365.01	6.09	-100.07
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2O1	REAL300000484573	0	38	-2.0	-103.01	352.72	5.04	-97.97
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2=O	REAL300000484574	0	44	-2.0	-109.44	374.98	6.82	-102.62
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3=O)C=C1C(=O)[O-]	REAL300000484575	0	42	-2.0	-107.14	366.19	5.38	-101.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3=O)=C1	REAL300000484576	0	41	-2.0	-99.29	368.67	5.71	-93.58
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2O1	REAL300000484577	0	38	-2.0	-104.66	351.19	5.06	-99.60
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3=O)C=C(C(=O)[O-])O1	REAL300000484578	0	41	-2.0	-102.47	362.54	5.16	-97.31
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3=O)C=C(C(=O)[O-])S1	REAL300000484579	0	41	-2.0	-105.85	369.24	5.92	-99.93
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2O1	REAL300000484580	0	41	-2.0	-95.79	364.06	6.06	-89.73
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2O1	REAL300000484581	0	38	-2.0	-98.09	351.78	5.15	-92.94
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2O1	REAL300000484582	0	41	-2.0	-99.79	365.95	6.09	-93.70
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2O1	REAL300000484583	0	41	-2.0	-95.82	364.99	6.09	-89.73
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2O1	REAL300000484584	0	42	-2.0	-108.28	369.25	3.73	-104.55
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2O1	REAL300000484585	0	44	-2.0	-99.95	381.72	6.80	-93.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2=O	REAL300000484586	0	44	-2.0	-104.88	369.57	6.66	-98.22
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2=O	REAL300000484587	0	44	-2.0	-96.30	374.95	6.80	-89.50
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3=O)C=C1C(=O)[O-]	REAL300000484588	0	45	-2.0	-108.56	387.67	6.24	-102.32
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3=O)=CC=C1C(=O)[O-]	REAL300000484589	0	44	-2.0	-96.42	375.54	6.57	-89.85
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2O1	REAL300000484590	0	41	-2.0	-113.12	363.17	6.05	-107.07
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2O1	REAL300000484591	0	40	-2.0	-106.09	356.53	4.10	-101.99
CC1(C)CC(=O)C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2O1	REAL300000484592	0	38	-2.0	-96.55	359.64	5.00	-91.55
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3=O)C=C(C(=O)[O-])O1	REAL300000484593	0	44	-2.0	-102.18	381.66	6.01	-96.17
CC1(CO)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C2O1	REAL300000484627	0	41	-2.0	-109.96	349.89	2.85	-107.11
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C1CC1	REAL300000484647	0	42	-2.0	-90.54	374.59	3.52	-87.02
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000484648	0	35	-2.0	-107.01	323.36	4.98	-102.03
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C)N=C1	REAL300000484649	0	43	-2.0	-108.70	377.73	6.03	-102.67
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C1CC1	REAL300000484650	0	35	-2.0	-97.20	318.11	4.94	-92.26
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C1CC1	REAL300000484651	0	35	-2.0	-109.95	318.84	4.96	-104.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C)N=C1	REAL300000484652	0	39	-2.0	-116.19	346.26	4.74	-111.45
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C1CC1	REAL300000484653	0	39	-2.0	-96.64	349.58	6.22	-90.42
CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C1C(=O)[O-]	REAL300000484654	0	38	-2.0	-110.69	334.19	5.47	-105.22
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C1CC1	REAL300000484655	0	35	-2.0	-106.11	331.18	5.52	-100.59
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000484656	0	35	-2.0	-105.34	331.34	5.35	-99.99
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1C1CC1	REAL300000484657	0	35	-2.0	-101.74	343.68	5.89	-95.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)=C1C	REAL300000484658	0	41	-2.0	-113.78	351.02	6.26	-107.52
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C1CC1	REAL300000484659	0	35	-2.0	-107.82	323.60	4.99	-102.83
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C1CC1	REAL300000484660	0	41	-2.0	-96.07	361.70	6.52	-89.55
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C1CC1	REAL300000484661	0	32	-2.0	-104.32	311.31	3.97	-100.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C)N=C1	REAL300000484662	0	38	-2.0	-111.82	333.25	5.71	-106.11
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C1CC1	REAL300000484663	0	39	-2.0	-95.25	349.19	5.21	-90.04
CN1C=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C1C(=O)[O-]	REAL300000484664	0	36	-2.0	-108.26	325.47	4.32	-103.94
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C)N=C1	REAL300000484665	0	39	-2.0	-112.09	342.12	3.75	-108.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)=C1	REAL300000484666	0	35	-2.0	-100.03	327.23	4.61	-95.42
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C1C(=O)[O-]	REAL300000484667	0	41	-2.0	-114.18	353.35	6.37	-107.81
CN1N=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C1CC1	REAL300000484668	0	32	-2.0	-105.26	310.48	3.99	-101.27
COC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000484669	0	43	-2.0	-110.35	377.15	4.78	-105.57
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C1C(=O)[O-]	REAL300000484670	0	39	-2.0	-115.81	346.11	5.03	-110.78
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C1CC1	REAL300000484671	0	45	-2.0	-115.60	373.09	7.55	-108.05
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C)N=C1	REAL300000484672	0	44	-2.0	-113.64	367.11	6.79	-106.85
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C)N=C1	REAL300000484673	0	41	-2.0	-110.44	353.82	6.53	-103.91
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C)N=C1	REAL300000484674	0	42	-2.0	-115.55	368.55	5.51	-110.04
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C1CC1	REAL300000484675	0	37	-3.0	-185.04	347.24	5.52	-179.52
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C1CC1	REAL300000484676	0	42	-2.0	-115.99	363.07	6.84	-109.15
CC1=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C(C(=O)[O-])O1	REAL300000484677	0	35	-2.0	-104.07	321.13	4.08	-99.99
CN1N=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000484678	0	41	-2.0	-114.72	361.00	4.74	-109.98
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)=C1	REAL300000484679	0	39	-2.0	-109.76	347.10	4.04	-105.72
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1C1CC1	REAL300000484680	0	43	-2.0	-96.55	372.46	5.57	-90.98
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000484681	0	35	-2.0	-99.53	346.49	5.82	-93.71
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1C1CC1	REAL300000484682	0	35	-2.0	-102.84	335.70	5.54	-97.30
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1C1CC1	REAL300000484683	0	39	-2.0	-93.70	365.93	5.77	-87.93
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000484684	0	42	-2.0	-95.73	369.98	5.94	-89.79
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1C1CC1	REAL300000484685	0	45	-2.0	-94.46	398.57	6.20	-88.26
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C)N=C1	REAL300000484686	0	38	-2.0	-102.16	338.53	5.74	-96.42
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000484687	0	48	-2.0	-95.86	412.43	6.87	-88.99
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C1CC1	REAL300000484688	0	39	-2.0	-94.63	356.12	5.30	-89.33
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C1C(=O)[O-]	REAL300000484689	0	42	-2.0	-116.06	367.98	5.93	-110.13
CC1=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C(C(=O)[O-])S1	REAL300000484690	0	35	-2.0	-107.96	327.12	4.80	-103.16
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1C1CC1	REAL300000484691	0	35	-2.0	-99.80	346.34	5.98	-93.82
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C1CC1	REAL300000484692	0	35	-2.0	-94.47	331.16	5.51	-88.96
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C1CC1	REAL300000484693	0	35	-2.0	-96.68	323.35	4.99	-91.69
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C1CC1	REAL300000484694	0	32	-2.0	-98.85	310.38	4.06	-94.79
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C1CC1	REAL300000484695	0	35	-2.0	-100.50	325.22	5.03	-95.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)=C1F	REAL300000484696	0	38	-2.0	-109.32	343.87	5.63	-103.69
COC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000484697	0	39	-2.0	-99.08	358.42	5.58	-93.50
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C1CC1	REAL300000484698	0	35	-2.0	-96.42	323.58	5.01	-91.41
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C1CC1	REAL300000484699	0	35	-2.0	-94.70	331.33	5.35	-89.35
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C)N=C1	REAL300000484700	0	38	-2.0	-103.98	347.27	6.13	-97.85
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C1CC1	REAL300000484701	0	43	-2.0	-93.30	381.86	6.34	-86.96
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000484702	0	35	-2.0	-98.92	329.64	5.06	-93.86
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C1CC1	REAL300000484703	0	37	-2.0	-94.78	347.02	5.62	-89.16
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C1CC1	REAL300000484704	0	36	-2.0	-111.06	327.83	2.66	-108.40
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C1CC1	REAL300000484705	0	38	-2.0	-101.28	340.30	5.71	-95.57
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C1CC1	REAL300000484706	0	35	-2.0	-100.31	339.53	5.50	-94.81
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C)N=C1	REAL300000484707	0	38	-2.0	-104.62	327.45	5.55	-99.07
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000484708	0	38	-2.0	-108.78	343.67	5.61	-103.17
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C)N=C1	REAL300000484709	0	38	-2.0	-97.49	333.24	5.70	-91.79
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000484710	0	41	-2.0	-113.08	352.31	6.03	-107.05
CN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C1CC1	REAL300000484711	0	37	-2.0	-107.21	344.84	6.07	-101.14
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C1CC1	REAL300000484712	0	35	-2.0	-99.21	329.87	5.06	-94.15
CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000484713	0	41	-2.0	-108.88	351.57	6.31	-102.57
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C1C(=O)[O-]	REAL300000484714	0	38	-2.0	-109.06	339.71	5.53	-103.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)=C1Cl	REAL300000484715	0	38	-2.0	-107.92	349.88	6.09	-101.83
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)=C1	REAL300000484716	0	38	-2.0	-113.29	343.15	5.62	-107.67
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C1C(=O)[O-]	REAL300000484717	0	41	-2.0	-111.45	352.75	6.14	-105.31
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C1CC(=O)[O-]	REAL300000484718	0	42	-2.0	-111.74	369.30	5.08	-106.66
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C)N=C1	REAL300000484719	0	38	-2.0	-98.30	344.46	6.12	-92.18
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1C1CC1	REAL300000484720	0	38	-2.0	-93.60	348.95	5.77	-87.83
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000484721	0	38	-2.0	-107.57	350.06	5.91	-101.66
CCN1C=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C1C(=O)[O-]	REAL300000484722	0	39	-2.0	-109.54	346.85	5.18	-104.36
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000484723	0	47	-2.0	-108.13	383.25	7.81	-100.32
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1C1CC1	REAL300000484724	0	35	-2.0	-98.01	343.72	5.49	-92.52
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C1C(=O)[O-]	REAL300000484725	0	38	-2.0	-103.29	348.72	5.93	-97.36
CN1N=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1C1CC1	REAL300000484726	0	44	-2.0	-107.58	373.17	6.93	-100.65
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C1C(=O)[O-]	REAL300000484727	0	39	-2.0	-111.71	358.43	5.59	-106.12
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000484728	0	38	-2.0	-97.19	334.24	5.50	-91.69
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1C1CC1	REAL300000484729	0	40	-2.0	-100.17	359.38	7.01	-93.16
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C)N=C1	REAL300000484730	0	38	-2.0	-109.36	337.65	5.78	-103.58
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C1CC1	REAL300000484731	0	37	-2.0	-114.53	338.38	6.67	-107.86
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C1CC1	REAL300000484732	0	35	-2.0	-112.37	321.78	4.96	-107.41
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C1C(=O)[O-]	REAL300000484733	0	38	-2.0	-101.67	340.03	5.54	-96.13
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C1CC1	REAL300000484734	0	41	-2.0	-117.20	359.31	7.11	-110.09
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C1CC1	REAL300000484735	0	34	-2.0	-107.85	315.82	3.03	-104.82
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)N(C)N=C1	REAL300000484736	0	39	-2.0	-101.35	346.32	4.74	-96.61
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C1CC1	REAL300000484737	0	32	-2.0	-98.05	318.26	3.92	-94.13
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C1CC1	REAL300000484738	0	42	-2.0	-104.16	364.94	6.84	-97.32
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C1CC1	REAL300000484739	0	42	-2.0	-105.77	364.27	6.84	-98.93
CCC1=C(S(=O)(=O)[N-]C2=C(C3CC3)N(C)N=C2)C=C(C(=O)[O-])O1	REAL300000484740	0	38	-2.0	-103.87	333.79	4.72	-99.15
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000484741	1	41	-2.0	-107.93	375.06	7.85	-100.08
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000484743	1	41	-2.0	-110.60	370.53	7.82	-102.78
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000484745	0	41	-2.0	-105.37	376.01	7.89	-97.48
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000484746	0	38	-2.0	-102.60	363.72	6.84	-95.76
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000484747	1	44	-2.0	-108.98	385.95	8.61	-100.37
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000484748	1	42	-2.0	-108.97	377.17	7.18	-101.79
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000484749	0	41	-2.0	-98.86	379.64	7.51	-91.35
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000484750	0	38	-2.0	-106.21	362.18	6.86	-99.35
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000484751	0	41	-2.0	-102.26	373.56	6.96	-95.30
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000484752	1	41	-2.0	-105.55	379.14	7.71	-97.84
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000484753	1	41	-2.0	-97.38	375.04	7.86	-89.52
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000484754	0	38	-2.0	-97.64	362.78	6.95	-90.69
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000484755	1	41	-2.0	-101.35	376.93	7.89	-93.46
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000484756	0	41	-2.0	-95.33	375.98	7.89	-87.44
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000484757	0	42	-2.0	-107.87	380.23	5.54	-102.33
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000484757	1	42	-2.0	-106.54	379.43	6.33	-100.21
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000484758	1	44	-2.0	-99.24	392.69	8.61	-90.63
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000484759	1	44	-2.0	-104.67	380.57	8.46	-96.21
CCN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000484761	1	45	-2.0	-110.24	398.54	8.04	-102.20
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000484763	0	41	-2.0	-112.60	374.16	7.85	-104.75
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000484764	0	40	-2.0	-106.10	366.75	5.95	-100.15
COC(=O)[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000484765	0	38	-2.0	-96.09	370.67	6.81	-89.28
CCC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000484766	0	44	-2.0	-102.11	392.65	7.81	-94.30
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000484767	1	38	-2.0	-108.01	343.52	6.73	-101.28
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000484768	1	38	-2.0	-97.92	338.97	6.71	-91.21
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000484769	1	38	-2.0	-110.86	338.98	6.70	-104.16
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C2=CC=CC=C12	REAL300000484770	0	42	-2.0	-116.65	367.11	6.49	-110.16
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000484771	1	42	-2.0	-97.39	370.44	8.00	-89.39
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000484772	1	41	-2.0	-112.10	355.00	7.23	-104.87
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C2=CC=CC=C12	REAL300000484773	0	38	-2.0	-106.40	352.05	7.26	-99.14
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000484774	1	38	-2.0	-106.49	351.50	7.09	-99.40
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C2=CC=CC=C12	REAL300000484775	1	44	-2.0	-113.66	371.37	8.00	-105.66
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=CC=CC=C12	REAL300000484776	0	38	-2.0	-108.45	344.44	6.76	-101.69
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000484777	1	44	-2.0	-96.67	382.56	8.29	-88.38
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=CC=C12	REAL300000484778	0	35	-2.0	-104.98	332.17	5.72	-99.26
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C2=CC=CC=C12	REAL300000484779	1	41	-2.0	-111.75	354.41	7.48	-104.27
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000484780	1	42	-2.0	-96.04	370.06	6.99	-89.05
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000484781	0	39	-2.0	-109.03	345.63	6.05	-102.98
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C2=CC=CC=C12	REAL300000484783	0	38	-2.0	-100.97	348.09	6.38	-94.59
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C2=CC=CC=C12	REAL300000484784	1	44	-2.0	-113.07	370.44	8.02	-105.05
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000484785	0	35	-2.0	-106.36	330.63	5.73	-100.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C3=CC=CC=C23)C=C1C(=O)[O-]	REAL300000484786	1	42	-2.0	-116.68	366.27	6.77	-109.91
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C2=CC=CC=C12	REAL300000484787	1	47	-2.0	-113.98	392.88	8.71	-105.27
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC)C2=CC=CC=C12	REAL300000484788	1	44	-2.0	-109.83	367.13	8.34	-101.49
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C2=CC=CC=C12	REAL300000484789	1	45	-2.0	-116.14	383.23	8.60	-107.54
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000484790	0	38	-2.0	-104.41	341.99	5.84	-98.57
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C2=CC=CC=C12	REAL300000484791	0	42	-2.0	-111.63	367.90	5.79	-105.84
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C2=CC=CC=C12	REAL300000484792	1	41	-2.0	-102.26	359.28	7.53	-94.73
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000484793	0	38	-2.0	-107.87	348.67	6.59	-101.28
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C2=CC=CC=C12	REAL300000484794	0	38	-2.0	-95.30	352.03	7.26	-88.04
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC=CC=C12	REAL300000484795	1	38	-2.0	-97.25	343.49	6.74	-90.51
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=CC=C12	REAL300000484796	0	35	-2.0	-99.74	331.24	5.82	-93.92
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000484797	1	38	-2.0	-101.48	345.39	6.77	-94.71
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C2=CC=CC=C12	REAL300000484798	0	41	-2.0	-109.86	364.74	7.41	-102.45
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=CC=CC=C12	REAL300000484799	0	38	-2.0	-97.48	344.44	6.77	-90.71
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=CC=CC=C12	REAL300000484800	1	38	-2.0	-95.47	351.47	7.10	-88.37
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000484801	1	38	-2.0	-99.41	349.80	6.79	-92.62
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=CC=CC=C12	REAL300000484802	0	39	-2.0	-110.83	348.70	4.40	-106.43
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C12	REAL300000484802	1	39	-2.0	-107.58	343.24	5.26	-102.32
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000484803	1	41	-2.0	-102.14	361.16	7.49	-94.65
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C2=CC=CC=C12	REAL300000484804	1	41	-2.0	-106.58	349.02	7.34	-99.24
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000484805	1	41	-2.0	-109.42	363.82	7.35	-102.07
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C2=CC=CC=C12	REAL300000484806	1	41	-2.0	-97.96	354.39	7.47	-90.49
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000484807	1	44	-2.0	-114.06	371.86	7.77	-106.29
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C2=CC=CC=C12	REAL300000484808	0	38	-2.0	-99.80	350.72	6.83	-92.97
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C2=CC=CC=C12	REAL300000484809	1	44	-2.0	-111.02	372.51	8.09	-102.93
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C2=CC=CC=C12	REAL300000484810	0	41	-2.0	-110.80	364.30	7.39	-103.41
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C2=CC=CC=C12	REAL300000484811	0	41	-2.0	-115.57	364.01	7.39	-108.18
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C3=CC=CC=C23)C=C1C(=O)[O-]	REAL300000484812	1	44	-2.0	-112.89	373.30	7.89	-105.00
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C3=CC=CC=C23)C=C1C(=O)[O-]	REAL300000484813	0	42	-2.0	-110.34	367.01	6.91	-103.43
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C2=CC=CC=C12	REAL300000484814	1	41	-2.0	-98.13	354.99	7.25	-90.88
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C2=CC=CC=C12	REAL300000484815	1	41	-2.0	-109.19	358.52	7.54	-101.65
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=CC=CC=C12	REAL300000484816	0	38	-2.0	-114.78	342.61	6.73	-108.05
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000484817	1	41	-2.0	-103.33	363.94	7.38	-95.95
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=CC=C12	REAL300000484818	0	37	-2.0	-108.30	335.97	4.76	-103.54
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C2=CC=CC=C12	REAL300000484819	0	42	-2.0	-102.29	367.18	6.50	-95.79
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000484820	0	35	-2.0	-98.18	339.08	5.68	-92.50
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C2=CC=CC=C12	REAL300000484821	1	45	-2.0	-104.74	385.11	8.59	-96.15
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C2=CC=CC=C12	REAL300000484822	1	45	-2.0	-107.19	383.07	8.57	-98.62
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C3=CC=CC=C23)C=C(C(=O)[O-])O1	REAL300000484823	0	41	-2.0	-104.13	361.02	6.68	-97.45
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3)=C1	REAL300000484835	1	32	-2.0	-103.65	320.36	6.50	-97.15
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3)=C1	REAL300000484840	1	35	-2.0	-99.79	336.31	7.17	-92.62
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=C(C=C2Cl)CCC3)=CC(C(=O)[O-])=C1	REAL300000484847	0	38	-2.0	-107.62	355.00	7.97	-99.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3)S1	REAL300000484858	1	32	-2.0	-98.54	319.44	6.61	-91.93
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(C=C2Cl)CCC3)=C1	REAL300000484865	0	36	-2.0	-106.34	331.30	6.03	-100.31
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3)=C1	REAL300000484872	1	35	-2.0	-98.18	338.92	7.61	-90.57
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3)=C1[N+](=O)[O-]	REAL300000484881	1	37	-2.0	-116.52	350.92	9.34	-107.18
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3)=C1	REAL300000484884	1	34	-2.0	-107.16	323.39	5.60	-101.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)CCC3)=C(Cl)O1	REAL300000484886	1	32	-2.0	-96.96	327.28	6.46	-90.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=CC=C1F	REAL300000484890	1	42	-2.0	-105.84	362.76	6.42	-99.42
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C1	REAL300000484892	1	42	-2.0	-108.55	358.26	6.39	-102.16
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCOCC2)=C1	REAL300000484893	0	46	-2.0	-114.17	386.36	6.19	-107.98
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)C=C1	REAL300000484894	1	46	-2.0	-95.38	389.68	7.68	-87.70
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C1	REAL300000484896	0	42	-2.0	-104.05	371.28	6.96	-97.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=CC=C1Cl	REAL300000484897	1	42	-2.0	-104.28	370.73	6.78	-97.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C1C	REAL300000484898	1	48	-2.0	-111.60	390.89	7.73	-103.87
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C1	REAL300000484899	0	42	-2.0	-105.80	363.69	6.45	-99.35
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)C=C1	REAL300000484900	1	48	-2.0	-94.70	401.78	7.97	-86.73
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C1	REAL300000484901	0	39	-2.0	-102.64	351.39	5.40	-97.24
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCOCC2)=C1	REAL300000484902	1	45	-2.0	-109.46	373.65	7.17	-102.29
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)C=C1C(=O)[O-]	REAL300000484904	1	43	-2.0	-106.84	364.86	5.74	-101.10
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C1	REAL300000484906	0	42	-2.0	-98.70	367.32	6.06	-92.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=CS1	REAL300000484908	0	39	-2.0	-104.07	349.90	5.42	-98.65
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCOCC2)=C1	REAL300000484910	1	48	-2.0	-107.72	388.35	8.10	-99.62
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)C=C(C(=O)[O-])O1	REAL300000484911	0	42	-2.0	-102.21	361.26	5.53	-96.68
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C1	REAL300000484912	0	46	-2.0	-109.46	387.20	5.48	-103.98
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CCOCC2)=C1	REAL300000484913	1	45	-2.0	-99.80	378.92	7.21	-92.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)C=C(C(=O)[O-])S1	REAL300000484914	1	42	-2.0	-105.72	366.81	6.28	-99.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)C(Cl)=C1	REAL300000484915	0	42	-2.0	-93.26	371.26	6.95	-86.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)C=C1F	REAL300000484916	1	42	-2.0	-95.21	362.74	6.43	-88.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)S1	REAL300000484917	0	39	-2.0	-97.42	350.48	5.52	-91.90
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C1	REAL300000484918	1	42	-2.0	-99.19	364.62	6.46	-92.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C1F	REAL300000484919	0	45	-2.0	-107.15	383.97	7.09	-100.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)C(F)=C1	REAL300000484920	0	42	-2.0	-95.29	363.68	6.46	-88.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)C=C1Cl	REAL300000484921	1	42	-2.0	-93.30	370.71	6.79	-86.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=CC(F)=C1F	REAL300000484922	1	42	-2.0	-97.22	369.04	6.48	-90.74
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C1	REAL300000484923	0	43	-2.0	-108.21	367.93	4.10	-104.11
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3CCOCC3)=C2)=C1	REAL300000484923	1	43	-2.0	-105.76	367.02	4.97	-100.79
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)C=C1	REAL300000484924	1	45	-2.0	-99.42	380.38	7.16	-92.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2CCOCC2)=C1	REAL300000484925	1	45	-2.0	-104.61	368.28	7.03	-97.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=CC(C(=O)[O-])=C1F	REAL300000484926	1	45	-2.0	-107.16	383.06	7.04	-100.12
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C1	REAL300000484929	0	42	-2.0	-97.23	369.97	6.52	-90.71
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)C=C1C(=O)[O-]	REAL300000484931	0	45	-2.0	-106.97	379.69	6.99	-99.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C1	REAL300000484932	0	45	-2.0	-113.49	383.25	7.08	-106.41
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)C=C1C(=O)[O-]	REAL300000484934	1	46	-2.0	-108.25	386.24	6.61	-101.64
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C1F	REAL300000484937	0	42	-2.0	-112.67	361.83	6.41	-106.26
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)C=C1C(=O)[O-]	REAL300000484938	1	45	-2.0	-101.08	383.20	7.07	-94.01
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C1	REAL300000484939	0	41	-2.0	-106.26	354.43	4.52	-101.74
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2CCOCC2)=C1	REAL300000484940	0	46	-2.0	-100.20	386.42	6.18	-94.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)=C(Cl)O1	REAL300000484941	0	39	-2.0	-95.97	358.36	5.36	-90.61
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCOCC3)=C2)C=C(C(=O)[O-])O1	REAL300000484942	0	45	-2.0	-102.06	380.39	6.38	-95.68
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000484943	0	43	-2.0	-97.70	395.58	-0.21	-97.91
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000484944	0	36	-2.0	-113.54	343.68	1.24	-112.30
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000484945	0	44	-2.0	-112.59	398.74	2.31	-110.28
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000484946	0	36	-2.0	-104.32	339.11	1.22	-103.10
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000484947	0	36	-2.0	-115.63	339.12	1.21	-114.42
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000484948	0	40	-2.0	-118.99	367.27	1.02	-117.97
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000484949	0	40	-2.0	-103.50	370.57	2.50	-101.00
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000484950	0	39	-2.0	-116.67	355.16	1.74	-114.93
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000484951	0	42	-2.0	-116.29	371.52	2.50	-113.79
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000484952	0	36	-2.0	-111.39	344.60	1.27	-110.12
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000484953	0	42	-2.0	-102.20	382.69	2.80	-99.40
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000484954	0	33	-2.0	-110.33	332.31	0.23	-110.10
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000484955	0	39	-2.0	-114.40	354.56	1.97	-112.43
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000484956	0	40	-2.0	-102.27	370.19	1.49	-100.78
COCCOCC(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000484957	0	37	-2.0	-114.57	345.78	0.56	-114.01
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000484958	0	40	-2.0	-115.23	363.33	0.01	-115.22
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000484959	0	36	-2.0	-106.93	348.24	0.89	-106.04
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000484960	0	42	-2.0	-115.74	370.19	2.46	-113.28
COCCOCC(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000484961	0	33	-2.0	-112.09	330.77	0.25	-111.84
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000484962	0	44	-2.0	-117.24	397.45	1.02	-116.22
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000484963	0	40	-2.0	-122.25	366.41	1.27	-120.98
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000484964	0	46	-2.0	-118.20	394.38	3.72	-114.48
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000484965	0	45	-2.0	-116.37	393.02	3.18	-113.19
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)COCCOC	REAL300000484966	0	42	-2.0	-112.21	369.27	2.73	-109.48
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000484967	0	43	-2.0	-121.17	389.56	1.78	-119.39
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000484968	0	38	-3.0	-191.59	367.54	1.77	-189.82
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000484969	0	43	-2.0	-118.41	383.37	3.09	-115.32
COCCOCC(=O)N[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000484970	0	36	-2.0	-108.87	342.13	0.35	-108.52
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000484971	0	42	-2.0	-120.83	381.30	0.98	-119.85
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000484972	0	40	-2.0	-119.75	368.03	0.31	-119.44
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000484973	0	44	-2.0	-103.45	392.76	1.83	-101.62
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000484974	0	40	-2.0	-100.85	386.24	2.03	-98.82
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000484975	0	43	-2.0	-102.67	390.28	2.20	-100.47
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000484976	0	39	-2.0	-106.01	359.83	2.01	-104.00
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000484977	0	40	-2.0	-101.95	376.44	1.56	-100.39
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)COCCOC)C=C1C(=O)[O-]	REAL300000484978	0	43	-2.0	-122.97	388.27	2.18	-120.79
COCCOCC(=O)N[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000484979	0	36	-2.0	-111.46	347.72	1.12	-110.34
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000484980	0	36	-2.0	-102.00	352.17	1.75	-100.25
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000484981	0	36	-2.0	-104.09	343.65	1.25	-102.84
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000484982	0	33	-2.0	-105.79	331.39	0.34	-105.45
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000484983	0	36	-2.0	-106.93	345.54	1.27	-105.66
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000484984	0	39	-2.0	-112.79	364.88	1.91	-110.88
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000484985	0	40	-2.0	-106.80	379.44	1.81	-104.99
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000484986	0	36	-2.0	-103.81	344.58	1.28	-102.53
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000484987	0	36	-2.0	-101.99	351.62	1.61	-100.38
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000484988	0	39	-2.0	-107.41	368.57	2.39	-105.02
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000484989	0	44	-2.0	-100.28	402.87	2.62	-97.66
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000484990	0	38	-2.0	-101.73	367.32	1.88	-99.85
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000484991	0	37	-2.0	-112.44	348.84	-1.07	-113.51
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000484991	1	36	-3.0	-210.30	345.27	-0.19	-210.49
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000484992	0	39	-2.0	-106.09	361.29	1.99	-104.10
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000484993	0	36	-2.0	-107.37	359.84	1.74	-105.63
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000484994	0	39	-2.0	-114.03	348.66	1.81	-112.22
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000484995	0	39	-2.0	-114.96	363.95	1.86	-113.10
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000484996	0	39	-2.0	-104.26	354.12	1.92	-102.34
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000484997	0	42	-2.0	-120.69	375.92	2.38	-118.31
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000484998	0	38	-2.0	-114.97	365.70	2.31	-112.66
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000484999	0	36	-2.0	-103.97	350.88	1.33	-102.64
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000485000	0	42	-2.0	-118.57	372.51	2.53	-116.04
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000485001	0	39	-2.0	-112.33	360.60	1.81	-110.52
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000485002	0	39	-2.0	-111.59	370.89	2.33	-109.26
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000485003	0	39	-2.0	-122.91	364.16	1.90	-121.01
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)COCCOC)C=C1C(=O)[O-]	REAL300000485004	0	42	-2.0	-117.29	373.41	2.40	-114.89
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000485005	0	43	-2.0	-120.20	389.60	1.34	-118.86
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000485006	0	39	-2.0	-107.16	365.39	2.32	-104.84
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000485007	0	39	-2.0	-113.56	370.34	2.17	-111.39
CCN1C=C(S(=O)(=O)[N-]NC(=O)COCCOC)C=C1C(=O)[O-]	REAL300000485008	0	40	-2.0	-115.92	367.13	1.42	-114.50
COCCOCC(=O)N[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000485009	0	48	-2.0	-119.77	403.52	4.04	-115.73
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000485010	0	39	-2.0	-109.63	369.00	2.17	-107.46
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000485011	0	40	-2.0	-115.46	379.44	1.82	-113.64
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000485012	0	39	-2.0	-104.43	355.13	1.75	-102.68
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000485013	0	41	-2.0	-110.73	379.84	3.27	-107.46
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000485014	0	39	-2.0	-112.21	359.08	2.01	-110.20
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000485015	0	38	-2.0	-125.26	362.85	3.07	-122.19
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000485016	0	36	-2.0	-122.08	342.78	1.24	-120.84
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000485017	0	39	-2.0	-107.94	360.30	1.78	-106.16
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000485018	0	42	-2.0	-124.50	380.16	3.33	-121.17
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000485019	0	35	-2.0	-110.83	336.11	-0.74	-111.57
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000485020	0	40	-2.0	-107.99	367.32	1.02	-106.97
COCCOCC(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000485021	0	33	-2.0	-103.62	339.26	0.18	-103.44
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000485022	0	43	-2.0	-110.34	383.10	3.03	-107.31
COCCOCC(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000485023	0	43	-2.0	-115.93	384.56	3.09	-112.84
CCC1=C(S(=O)(=O)[N-]NC(=O)COCCOC)C=C(C(=O)[O-])O1	REAL300000485024	0	39	-2.0	-108.32	361.28	1.13	-107.19
CC(C)(C)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000485025	0	45	-2.0	-107.61	382.35	7.81	-99.80
CC(C)(C)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000485026	0	45	-2.0	-121.37	382.37	7.80	-113.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000485027	0	48	-2.0	-122.93	398.39	8.34	-114.59
CC(C)(C)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000485028	0	42	-2.0	-115.23	375.55	6.83	-108.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=CC2=CC=CN=C21	REAL300000485029	0	48	-2.0	-121.02	397.80	8.59	-112.43
CN1C=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000485030	0	46	-2.0	-119.33	389.02	7.15	-112.18
CC(C)(C)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000485031	0	42	-2.0	-116.62	374.02	6.84	-109.78
CC1=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=CC3=CC=CN=C32)C=C(C(=O)[O-])O1	REAL300000485032	0	45	-2.0	-113.73	385.37	6.94	-106.79
CC(C)(C)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000485033	0	42	-2.0	-109.77	374.63	6.93	-102.84
CC(C)(C)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000485034	0	48	-2.0	-111.18	404.54	8.59	-102.59
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=CC2=CC=CN=C21	REAL300000485035	0	48	-2.0	-117.37	392.41	8.43	-108.94
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C)=CC2=CC=CN=C21	REAL300000485036	0	48	-2.0	-107.07	397.78	8.58	-98.49
CC1=CC(S(=O)(=O)[N-]C2=CC(C(C)(C)C)=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000485037	0	48	-2.0	-109.36	402.42	8.45	-100.91
CC(C)(C)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000485038	0	44	-2.0	-119.54	378.58	5.94	-113.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=CC=C1F	REAL300000485039	0	39	-2.0	-113.51	359.91	6.73	-106.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C1	REAL300000485040	0	39	-2.0	-103.06	355.36	6.71	-96.35
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=C1	REAL300000485041	0	39	-2.0	-116.04	355.39	6.70	-109.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCSCC2)C=C1	REAL300000485042	0	43	-2.0	-122.37	383.45	6.49	-115.88
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C1	REAL300000485043	0	43	-2.0	-102.65	386.83	8.00	-94.65
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C1C(=O)[O-]	REAL300000485044	0	42	-2.0	-118.89	375.44	7.35	-111.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=C1C	REAL300000485045	0	45	-2.0	-119.19	388.48	8.02	-111.17
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=C1	REAL300000485046	0	39	-2.0	-113.79	360.78	6.75	-107.04
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C1	REAL300000485047	0	45	-2.0	-102.13	398.95	8.29	-93.84
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=C1	REAL300000485048	0	36	-2.0	-110.25	348.56	5.73	-104.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCSCC2)C=C1	REAL300000485049	0	42	-2.0	-117.63	370.74	7.46	-110.17
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C1	REAL300000485050	0	43	-2.0	-101.36	386.45	6.99	-94.37
CN1C=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C1C(=O)[O-]	REAL300000485051	0	40	-2.0	-114.36	362.03	6.06	-108.30
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCSCC2)C=C1	REAL300000485052	0	43	-2.0	-117.94	379.51	5.49	-112.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=C1	REAL300000485053	0	39	-2.0	-106.04	364.49	6.39	-99.65
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C1C(=O)[O-]	REAL300000485054	0	45	-2.0	-118.99	386.75	7.99	-111.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=CS1	REAL300000485055	0	36	-2.0	-111.51	347.04	5.74	-105.77
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C1C(=O)[O-]	REAL300000485056	0	43	-2.0	-122.26	382.65	6.77	-115.49
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCSCC2)C=C1	REAL300000485057	0	45	-2.0	-115.89	385.45	8.41	-107.48
CC1=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000485058	0	39	-2.0	-109.87	358.31	5.83	-104.04
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=C1	REAL300000485059	0	43	-2.0	-117.21	384.36	5.80	-111.41
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCSCC2)C=C1	REAL300000485060	0	42	-2.0	-107.71	376.02	7.50	-100.21
CC1=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C(C(=O)[O-])S1	REAL300000485061	0	39	-2.0	-113.68	363.93	6.57	-107.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C1F	REAL300000485062	0	39	-2.0	-102.38	359.89	6.74	-95.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)S1	REAL300000485063	0	36	-2.0	-104.74	347.56	5.81	-98.93
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=C1	REAL300000485064	0	39	-2.0	-106.59	361.78	6.77	-99.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=C1F	REAL300000485065	0	42	-2.0	-115.28	381.13	7.41	-107.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C(F)=C1	REAL300000485066	0	39	-2.0	-102.48	360.83	6.78	-95.70
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=C1	REAL300000485067	0	40	-2.0	-116.42	365.02	4.41	-112.01
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C1	REAL300000485068	0	42	-2.0	-107.07	377.55	7.49	-99.58
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C2CCSCC2)C=C1	REAL300000485069	0	42	-2.0	-111.92	365.37	7.31	-104.61
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000485070	0	42	-2.0	-114.88	380.21	7.36	-107.52
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2CCSCC2)C=C1	REAL300000485071	0	42	-2.0	-103.23	370.78	7.48	-95.75
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000485072	0	45	-2.0	-120.76	392.17	7.87	-112.89
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C(C)=C1C(=O)[O-]	REAL300000485073	0	45	-2.0	-116.03	389.78	8.05	-107.98
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C1C(=O)[O-]	REAL300000485074	0	42	-2.0	-115.00	376.78	7.28	-107.72
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=C1	REAL300000485075	0	42	-2.0	-120.91	380.38	7.40	-113.51
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C1C(=O)[O-]	REAL300000485076	0	45	-2.0	-118.36	389.31	7.89	-110.47
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C1C(=O)[O-]	REAL300000485077	0	43	-2.0	-115.69	383.41	6.93	-108.76
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=CC=C1C(=O)[O-]	REAL300000485078	0	42	-2.0	-103.27	371.38	7.25	-96.02
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCSCC2)C=C1	REAL300000485079	0	42	-2.0	-114.65	375.26	7.49	-107.16
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=C1F	REAL300000485080	0	39	-2.0	-119.84	358.94	6.71	-113.13
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C1C(=O)[O-]	REAL300000485081	0	42	-2.0	-107.72	376.53	7.28	-100.44
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=C1	REAL300000485082	0	38	-2.0	-113.85	351.59	4.83	-109.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2CCSCC2)C=C1	REAL300000485083	0	43	-2.0	-107.62	383.57	6.51	-101.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)=C(Cl)O1	REAL300000485084	0	36	-2.0	-103.43	355.41	5.65	-97.78
CCC1=C(S(=O)(=O)[N-]C2=NN(C3CCSCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000485085	0	42	-2.0	-109.77	377.43	6.68	-103.09
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000485086	1	36	-2.0	-110.45	338.56	1.77	-108.68
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C2N1	REAL300000485087	1	36	-2.0	-100.63	334.01	1.75	-98.88
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000485088	1	36	-2.0	-112.93	334.03	1.74	-111.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(C(N)=O)=CC2=C1	REAL300000485089	0	40	-2.0	-117.60	362.17	1.54	-116.06
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C2N1	REAL300000485090	1	40	-2.0	-99.94	365.47	3.04	-96.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)C=C1C(=O)[O-]	REAL300000485091	1	39	-2.0	-114.03	350.05	2.28	-111.75
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C2N1	REAL300000485092	0	36	-2.0	-107.89	347.09	2.31	-105.58
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000485093	1	36	-2.0	-108.76	346.53	2.13	-106.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)=C1C	REAL300000485094	1	42	-2.0	-114.85	366.42	3.05	-111.80
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2N1	REAL300000485095	0	36	-2.0	-109.58	339.50	1.80	-107.78
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C2N1	REAL300000485096	1	42	-2.0	-98.98	377.59	3.33	-95.65
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2N1	REAL300000485097	0	33	-2.0	-107.28	327.21	0.77	-106.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(C(N)=O)=CC2=C1	REAL300000485098	1	39	-2.0	-112.95	349.46	2.53	-110.42
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)C=C1C(=O)[O-]	REAL300000485100	0	37	-2.0	-111.44	340.67	1.10	-110.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)=C1	REAL300000485102	0	36	-2.0	-103.54	343.14	1.43	-102.11
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2N1	REAL300000485104	0	33	-2.0	-108.69	325.67	0.77	-107.92
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(C(N)=O)=CC2=C1	REAL300000485106	1	42	-2.0	-111.03	364.17	3.47	-107.56
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C2N1	REAL300000485107	1	43	-2.0	-117.12	378.27	3.64	-113.48
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)C=C(C(=O)[O-])O1	REAL300000485108	0	36	-2.0	-106.47	337.03	0.89	-105.58
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)=C1	REAL300000485109	0	40	-2.0	-114.29	363.01	0.84	-113.45
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(C(N)=O)=CC2=C1	REAL300000485110	1	39	-2.0	-103.76	354.73	2.56	-101.20
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)C=C(C(=O)[O-])S1	REAL300000485111	0	36	-2.0	-109.44	343.72	1.63	-107.81
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C2N1	REAL300000485112	0	36	-2.0	-98.16	347.08	2.30	-95.86
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2N1	REAL300000485113	1	36	-2.0	-100.15	338.55	1.78	-98.37
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2N1	REAL300000485114	0	33	-2.0	-102.32	326.29	0.87	-101.45
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000485115	1	36	-2.0	-103.77	340.43	1.81	-101.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)=C1F	REAL300000485116	0	39	-2.0	-111.01	359.78	2.45	-108.56
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2N1	REAL300000485117	0	36	-2.0	-100.11	339.49	1.81	-98.30
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C2N1	REAL300000485118	1	36	-2.0	-98.18	346.52	2.14	-96.04
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000485119	1	36	-2.0	-102.06	344.84	1.83	-100.23
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2N1	REAL300000485120	0	37	-2.0	-111.67	343.74	-0.54	-112.21
NC(=O)C1=CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2N1	REAL300000485120	1	37	-2.0	-108.64	332.76	0.34	-108.30
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2N1	REAL300000485121	1	39	-2.0	-103.41	356.19	2.53	-100.88
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(C(N)=O)=CC2=C1	REAL300000485122	1	39	-2.0	-109.75	344.06	2.39	-107.36
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)=CC(C(=O)[O-])=C1F	REAL300000485123	1	39	-2.0	-111.81	358.86	2.39	-109.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)=CC(C(=O)[O-])=C1C	REAL300000485125	1	42	-2.0	-117.32	371.52	2.94	-114.38
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C2N1	REAL300000485126	0	36	-2.0	-101.47	345.78	1.87	-99.60
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)C=C1C(=O)[O-]	REAL300000485128	0	39	-2.0	-111.88	359.34	2.44	-109.44
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)=C1	REAL300000485129	0	39	-2.0	-118.55	359.06	2.43	-116.12
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)C=C1C(=O)[O-]	REAL300000485130	1	42	-2.0	-114.71	367.96	2.93	-111.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)C=C1C(=O)[O-]	REAL300000485131	0	40	-2.0	-112.75	362.04	1.96	-110.79
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)=CC=C1C(=O)[O-]	REAL300000485132	1	39	-2.0	-100.76	350.03	2.29	-98.47
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(C(N)=O)=CC2=C1	REAL300000485133	1	39	-2.0	-110.68	353.56	2.58	-108.10
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2N1	REAL300000485134	0	36	-2.0	-117.87	337.68	1.78	-116.09
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)C=C1C(=O)[O-]	REAL300000485135	1	39	-2.0	-105.69	358.97	2.42	-103.27
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2N1	REAL300000485136	0	35	-2.0	-109.20	331.01	-0.20	-109.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(C(N)=O)=CC2=C1	REAL300000485137	0	40	-2.0	-104.76	362.22	1.54	-103.22
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000485138	0	33	-2.0	-100.57	334.17	0.72	-99.85
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C2N1	REAL300000485139	1	43	-2.0	-106.56	380.15	3.63	-102.93
NC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C2N1	REAL300000485140	1	43	-2.0	-111.41	379.46	3.63	-107.78
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C(N)=O)=CC3=C2)C=C(C(=O)[O-])O1	REAL300000485141	0	39	-2.0	-106.14	356.15	1.74	-104.40
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000485142	1	38	-2.0	-105.99	356.48	7.79	-98.20
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000485144	1	38	-2.0	-108.66	351.95	7.76	-100.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CCSC	REAL300000485145	0	42	-2.0	-113.92	380.09	7.56	-106.36
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000485146	1	42	-2.0	-94.50	383.42	9.05	-85.45
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000485148	0	38	-2.0	-103.78	365.02	8.33	-95.45
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000485149	1	38	-2.0	-104.42	364.46	8.15	-96.27
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000485150	1	44	-2.0	-111.21	385.05	9.10	-102.11
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000485151	0	38	-2.0	-105.75	357.42	7.82	-97.93
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000485152	1	44	-2.0	-93.86	395.53	9.35	-84.51
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000485153	0	35	-2.0	-102.87	345.13	6.77	-96.10
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000485154	1	41	-2.0	-109.18	367.38	8.55	-100.63
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000485156	1	39	-2.0	-106.94	358.59	7.10	-99.84
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000485158	0	38	-2.0	-98.56	361.06	7.44	-91.12
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000485160	0	35	-2.0	-104.20	343.60	6.79	-97.41
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000485162	1	47	-2.0	-111.17	403.52	9.68	-101.49
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CCSC	REAL300000485163	1	44	-2.0	-106.98	372.46	9.16	-97.82
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CCSC	REAL300000485164	0	45	-2.0	-114.43	402.38	8.33	-106.10
CSCCC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000485165	0	41	-2.0	-107.31	378.89	8.26	-99.05
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000485165	1	40	-3.0	-185.19	380.37	8.32	-176.87
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000485166	1	45	-2.0	-113.78	396.19	9.65	-104.13
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000485167	0	38	-2.0	-102.33	354.96	6.89	-95.44
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000485168	0	42	-2.0	-108.13	380.94	6.85	-101.28
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000485170	1	41	-2.0	-99.75	372.66	8.58	-91.17
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000485171	1	42	-2.0	-92.65	389.24	8.11	-84.54
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000485173	1	38	-2.0	-105.64	360.57	7.65	-97.99
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000485174	0	38	-2.0	-92.85	365.00	8.32	-84.53
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000485175	1	38	-2.0	-94.95	356.46	7.80	-87.15
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000485176	0	35	-2.0	-97.33	344.20	6.89	-90.44
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000485177	1	38	-2.0	-98.75	358.36	7.83	-90.92
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000485178	0	41	-2.0	-107.37	377.69	8.45	-98.92
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000485179	0	38	-2.0	-95.00	357.41	7.83	-87.17
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000485180	1	38	-2.0	-93.12	364.44	8.16	-84.96
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000485181	1	41	-2.0	-101.50	381.40	8.95	-92.55
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000485182	1	38	-2.0	-97.45	362.77	7.85	-89.60
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000485183	1	40	-2.0	-93.37	380.15	8.43	-84.94
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000485184	0	39	-2.0	-107.70	361.67	5.46	-102.24
CSCCC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000485184	1	39	-2.0	-110.12	355.78	5.78	-104.34
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000485185	1	41	-2.0	-98.98	374.13	8.54	-90.44
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000485186	1	41	-2.0	-103.51	362.00	8.40	-95.11
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000485187	1	41	-2.0	-106.64	376.78	8.41	-98.23
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000485190	0	40	-2.0	-106.68	378.50	8.86	-97.82
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000485191	0	38	-2.0	-97.38	363.68	7.89	-89.49
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000485193	0	41	-2.0	-106.96	373.42	8.36	-98.60
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000485194	0	41	-2.0	-105.71	383.73	8.90	-96.81
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000485195	0	41	-2.0	-112.70	376.98	8.45	-104.25
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000485198	1	41	-2.0	-97.05	378.21	8.93	-88.12
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000485199	1	41	-2.0	-105.46	383.17	8.72	-96.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CCSC)C=C1C(=O)[O-]	REAL300000485200	1	42	-2.0	-108.30	379.97	7.97	-100.33
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000485201	1	41	-2.0	-102.03	381.81	8.73	-93.30
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000485204	0	40	-2.0	-113.39	372.56	9.50	-103.89
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000485205	0	38	-2.0	-111.70	355.59	7.78	-103.92
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000485206	1	41	-2.0	-100.32	373.11	8.33	-91.99
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000485207	0	37	-2.0	-105.86	348.17	5.87	-99.99
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CCSC	REAL300000485208	0	42	-2.0	-99.71	380.15	7.55	-92.16
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000485209	0	35	-2.0	-96.26	352.06	6.73	-89.53
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000485210	1	45	-2.0	-102.10	398.09	9.64	-92.46
CSCCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000485211	1	45	-2.0	-104.55	396.05	9.63	-94.92
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CCSC)C=C(C(=O)[O-])O1	REAL300000485212	0	41	-2.0	-101.78	368.69	7.58	-94.20
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C	REAL300000485213	1	45	-2.0	-90.83	391.58	4.38	-86.45
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000485214	1	38	-2.0	-107.47	339.67	5.83	-101.64
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(OC)=C1C	REAL300000485215	0	46	-2.0	-108.35	394.76	6.88	-101.47
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000485216	1	38	-2.0	-97.49	335.10	5.80	-91.69
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000485217	1	38	-2.0	-110.23	335.14	5.79	-104.44
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(OC)=C1C	REAL300000485218	0	42	-2.0	-115.64	363.27	5.59	-110.05
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C	REAL300000485219	1	42	-2.0	-96.88	366.57	7.09	-89.79
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000485220	1	41	-2.0	-111.45	351.16	6.33	-105.12
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C	REAL300000485221	0	38	-2.0	-105.62	348.20	6.37	-99.25
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000485222	1	38	-2.0	-105.93	347.64	6.19	-99.74
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1C	REAL300000485223	1	44	-2.0	-112.74	367.53	7.11	-105.63
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C	REAL300000485224	0	38	-2.0	-107.51	340.60	5.86	-101.65
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300000485225	1	44	-2.0	-96.10	378.69	7.38	-88.72
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000485226	0	35	-2.0	-104.44	328.32	4.81	-99.63
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1C	REAL300000485227	1	41	-2.0	-110.87	350.57	6.58	-104.29
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000485229	0	39	-2.0	-108.57	341.79	5.14	-103.43
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1C	REAL300000485231	0	38	-2.0	-100.52	344.25	5.48	-95.04
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000485233	0	35	-2.0	-105.84	326.78	4.83	-101.01
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1C	REAL300000485234	1	46	-2.0	-110.63	393.45	5.61	-105.02
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C	REAL300000485236	1	48	-2.0	-114.85	390.38	8.42	-106.43
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1C	REAL300000485237	1	47	-2.0	-113.11	389.03	7.81	-105.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(OC)=C1C	REAL300000485238	1	44	-2.0	-108.93	364.64	7.50	-101.43
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(OC)=C1C	REAL300000485239	0	45	-2.0	-116.42	385.57	6.35	-110.07
COC1=CC(C)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000485240	0	41	-2.0	-109.33	362.08	6.30	-103.03
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C	REAL300000485240	1	40	-3.0	-186.42	363.54	6.36	-180.06
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C	REAL300000485241	1	45	-2.0	-115.19	379.39	7.69	-107.50
COC1=CC(C)=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000485242	0	38	-2.0	-103.85	338.14	4.94	-98.91
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C	REAL300000485243	1	44	-2.0	-115.05	377.31	5.57	-109.48
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1C	REAL300000485244	0	42	-2.0	-111.50	364.06	4.88	-106.62
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1C	REAL300000485245	1	46	-2.0	-96.27	388.06	6.40	-89.87
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1C	REAL300000485246	0	38	-2.0	-102.16	352.72	6.39	-95.77
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1C	REAL300000485247	1	42	-2.0	-94.02	382.25	6.62	-87.40
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1C	REAL300000485249	1	41	-2.0	-101.38	355.84	6.61	-94.77
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C	REAL300000485250	1	42	-2.0	-95.01	372.44	6.14	-88.87
COC1=CC(C)=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300000485252	0	38	-2.0	-107.25	343.76	5.69	-101.56
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C	REAL300000485253	0	38	-2.0	-94.93	348.19	6.36	-88.57
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C	REAL300000485254	1	38	-2.0	-96.89	339.68	5.84	-91.05
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000485255	0	35	-2.0	-99.28	327.39	4.92	-94.36
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000485256	1	38	-2.0	-100.97	341.56	5.86	-95.11
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1C	REAL300000485257	0	41	-2.0	-108.92	360.89	6.50	-102.42
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(OC)=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000485258	0	42	-2.0	-99.62	375.44	6.42	-93.20
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C	REAL300000485259	0	38	-2.0	-97.03	340.59	5.87	-91.16
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C	REAL300000485260	1	38	-2.0	-95.01	347.65	6.20	-88.81
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1C	REAL300000485261	1	41	-2.0	-103.06	364.58	7.01	-96.05
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C	REAL300000485262	1	46	-2.0	-93.55	398.85	7.21	-86.34
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000485263	1	38	-2.0	-98.95	345.95	5.89	-93.06
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C	REAL300000485264	0	40	-2.0	-95.08	363.32	6.46	-88.62
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C	REAL300000485265	0	39	-2.0	-109.72	344.85	3.50	-106.22
COC1=CC(C)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C	REAL300000485265	1	39	-2.0	-107.78	338.96	4.37	-103.41
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000485266	1	41	-2.0	-100.93	357.29	6.58	-94.35
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000485267	1	38	-2.0	-100.44	355.84	6.33	-94.11
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000485268	1	41	-2.0	-106.35	345.17	6.44	-99.91
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000485269	1	41	-2.0	-108.99	359.96	6.45	-102.54
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000485271	1	44	-2.0	-113.50	368.04	6.87	-106.63
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300000485272	0	40	-2.0	-108.24	361.72	6.89	-101.35
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C	REAL300000485273	0	38	-2.0	-99.00	346.88	5.92	-93.08
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1C	REAL300000485275	0	41	-2.0	-109.79	360.45	6.48	-103.31
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1C	REAL300000485276	0	41	-2.0	-107.40	366.90	6.92	-100.48
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1C	REAL300000485277	0	41	-2.0	-115.37	360.17	6.49	-108.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(OC)=C2C)C=C1C(=O)[O-]	REAL300000485278	1	44	-2.0	-112.25	369.11	6.98	-105.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(OC)=C2C)C=C1CC(=O)[O-]	REAL300000485279	1	45	-2.0	-112.90	385.61	5.93	-106.97
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1C	REAL300000485280	1	41	-2.0	-99.64	361.40	6.98	-92.66
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300000485281	1	41	-2.0	-107.82	366.35	6.75	-101.07
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(OC)=C2C)C=C1C(=O)[O-]	REAL300000485282	0	42	-2.0	-109.85	363.15	6.01	-103.84
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000485284	1	41	-2.0	-103.59	365.00	6.76	-96.83
COC1=CC(C)=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1C	REAL300000485285	0	47	-2.0	-106.61	384.57	7.93	-98.68
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=CC(OC)=C2C)C=C1C(=O)[O-]	REAL300000485286	0	42	-2.0	-111.12	375.46	6.42	-104.70
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1C	REAL300000485287	1	41	-2.0	-99.16	355.21	6.44	-92.72
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1C	REAL300000485288	0	43	-2.0	-101.63	378.39	7.99	-93.64
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1C	REAL300000485289	1	41	-2.0	-108.02	355.08	6.61	-101.41
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C	REAL300000485290	0	40	-2.0	-117.56	358.87	7.64	-109.92
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C	REAL300000485291	0	38	-2.0	-114.52	338.77	5.82	-108.70
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1C	REAL300000485292	1	41	-2.0	-101.83	356.29	6.37	-95.46
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300000485293	1	44	-2.0	-118.64	376.18	7.92	-110.72
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000485294	0	37	-2.0	-108.00	331.36	3.92	-104.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(OC)=C1C	REAL300000485295	0	42	-2.0	-101.83	363.33	5.60	-96.23
COC1=CC(C)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C	REAL300000485296	0	35	-2.0	-97.63	335.24	4.77	-92.86
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C	REAL300000485297	1	45	-2.0	-104.02	381.25	7.67	-96.35
COC1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C	REAL300000485298	1	45	-2.0	-107.32	379.22	7.66	-99.66
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(OC)=C2C)C=C(C(=O)[O-])O1	REAL300000485299	0	41	-2.0	-103.56	357.25	5.78	-97.78
CC1(C)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=C(Cl)C=C21	REAL300000485328	0	39	-2.0	-106.72	348.72	7.24	-99.48
CN(C)C(=O)NCCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000485348	1	46	-2.0	-117.01	402.43	5.61	-111.40
CN(C)C(=O)NCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000485349	0	43	-2.0	-111.27	394.71	4.69	-106.58
CN(C)C(=O)NCCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000485350	1	47	-2.0	-115.55	409.07	4.98	-110.57
CN(C)C(=O)NCCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000485351	0	43	-2.0	-112.40	392.77	4.72	-107.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(CCNC(=O)N(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000485352	0	46	-2.0	-110.68	404.15	4.83	-105.85
CN(C)C(=O)NCCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000485353	0	43	-2.0	-107.27	394.20	4.78	-102.49
CN(C)C(=O)NCCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000485354	0	45	-2.0	-115.81	397.33	3.80	-112.01
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000485355	0	42	-2.0	-92.27	374.34	2.19	-90.08
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000485356	0	35	-2.0	-107.98	322.44	3.63	-104.35
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1O	REAL300000485357	0	43	-2.0	-110.35	377.51	4.70	-105.65
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000485358	0	35	-2.0	-98.85	317.88	3.61	-95.24
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000485359	0	35	-2.0	-112.44	317.90	3.60	-108.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1O	REAL300000485360	0	39	-2.0	-117.91	346.03	3.39	-114.52
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000485361	0	39	-2.0	-98.43	349.33	4.90	-93.53
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000485362	0	38	-2.0	-112.12	333.91	4.14	-107.98
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000485363	0	35	-2.0	-107.53	330.96	4.18	-103.35
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000485364	0	35	-2.0	-106.57	330.41	4.00	-102.57
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000485365	0	35	-2.0	-102.98	343.46	4.55	-98.43
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000485366	0	41	-2.0	-115.64	350.56	4.94	-110.70
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000485367	0	35	-2.0	-109.43	323.36	3.66	-105.77
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000485368	0	41	-2.0	-97.55	361.47	5.18	-92.37
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000485369	0	32	-2.0	-106.49	311.07	2.62	-103.87
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000485370	0	38	-2.0	-113.26	333.32	4.38	-108.88
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000485371	0	39	-2.0	-96.95	348.95	3.89	-93.06
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000485372	0	36	-2.0	-110.75	324.54	2.95	-107.80
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000485373	0	39	-2.0	-113.84	341.67	2.45	-111.39
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2O)=C1	REAL300000485374	0	35	-2.0	-101.54	327.00	3.29	-98.25
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000485375	0	41	-2.0	-115.98	353.34	5.01	-110.97
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000485376	0	32	-2.0	-107.97	309.54	2.64	-105.33
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2O)=CC(C(=O)[O-])=C1OC	REAL300000485377	0	43	-2.0	-112.86	376.22	3.41	-109.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000485378	0	39	-2.0	-118.47	345.19	3.67	-114.80
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000485379	0	45	-2.0	-117.34	373.14	6.23	-111.11
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000485380	0	44	-2.0	-115.56	371.78	5.60	-109.96
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1O	REAL300000485381	0	41	-2.0	-111.32	348.01	5.32	-106.00
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1O	REAL300000485382	0	42	-2.0	-118.76	368.32	4.16	-114.60
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000485383	0	37	-3.0	-187.93	346.29	4.16	-183.77
CC1=CC(C)=C(O)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000485383	1	38	-2.0	-106.76	346.29	4.12	-102.64
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000485384	0	42	-2.0	-117.64	362.14	5.50	-112.14
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2O)C=C(C(=O)[O-])O1	REAL300000485385	0	35	-2.0	-104.47	320.89	2.74	-101.73
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000485386	0	41	-2.0	-115.90	360.06	3.37	-112.53
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000485387	0	39	-2.0	-111.90	346.87	2.68	-109.22
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000485388	0	43	-2.0	-98.30	370.80	4.20	-94.10
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000485389	0	35	-2.0	-101.76	345.57	4.44	-97.32
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000485390	0	35	-2.0	-104.00	335.48	4.20	-99.80
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000485391	0	39	-2.0	-95.18	365.00	4.43	-90.75
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000485392	0	42	-2.0	-97.48	369.05	4.59	-92.89
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000485393	0	45	-2.0	-96.14	397.65	4.86	-91.28
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000485394	0	38	-2.0	-103.45	338.60	4.41	-99.04
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1	REAL300000485395	0	48	-2.0	-97.42	411.51	5.53	-91.89
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000485396	0	39	-2.0	-96.08	355.20	3.95	-92.13
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000485397	0	42	-2.0	-117.44	367.04	4.58	-112.86
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2O)C=C(C(=O)[O-])S1	REAL300000485398	0	35	-2.0	-109.50	326.51	3.49	-106.01
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000485399	0	35	-2.0	-100.09	346.11	4.62	-95.47
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000485400	0	35	-2.0	-96.03	330.94	4.16	-91.87
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000485401	0	35	-2.0	-97.98	322.42	3.64	-94.34
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000485402	0	32	-2.0	-100.35	310.16	2.73	-97.62
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000485403	0	35	-2.0	-101.66	324.31	3.66	-98.00
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000485404	0	38	-2.0	-110.96	343.64	4.30	-106.66
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000485405	0	39	-2.0	-100.69	358.19	4.23	-96.46
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000485406	0	35	-2.0	-98.15	323.34	3.66	-94.49
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000485407	0	35	-2.0	-96.22	330.39	4.01	-92.21
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000485408	0	38	-2.0	-105.27	347.33	4.80	-100.47
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000485409	0	43	-2.0	-94.93	381.62	5.01	-89.92
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000485410	0	35	-2.0	-100.96	328.72	3.70	-97.26
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000485411	0	37	-2.0	-96.83	346.07	4.27	-92.56
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000485412	0	36	-2.0	-111.99	327.61	1.30	-110.69
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000485413	0	38	-2.0	-102.53	340.07	4.38	-98.15
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000485414	0	35	-2.0	-102.54	338.60	4.13	-98.41
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000485415	0	38	-2.0	-106.93	327.93	4.24	-102.69
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000485416	0	38	-2.0	-109.42	342.73	4.25	-105.17
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000485417	0	38	-2.0	-99.09	333.30	4.38	-94.71
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000485418	0	41	-2.0	-114.13	350.78	4.66	-109.47
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000485419	0	37	-2.0	-108.53	344.47	4.70	-103.83
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000485420	0	35	-2.0	-100.21	329.62	3.73	-96.48
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000485421	0	41	-2.0	-111.56	351.42	5.01	-106.55
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000485422	0	38	-2.0	-111.80	343.20	4.29	-107.51
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000485423	0	38	-2.0	-109.43	349.65	4.74	-104.69
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000485424	0	38	-2.0	-115.67	342.93	4.29	-111.38
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000485425	0	41	-2.0	-112.81	352.18	4.79	-108.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2O)C=C1CC(=O)[O-]	REAL300000485426	0	42	-2.0	-115.01	368.37	3.74	-111.27
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000485427	0	38	-2.0	-100.36	344.15	4.78	-95.58
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000485428	0	38	-2.0	-95.02	348.03	4.42	-90.60
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000485429	0	38	-2.0	-108.45	349.12	4.55	-103.90
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000485430	0	39	-2.0	-112.08	345.91	3.82	-108.26
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000485431	0	47	-2.0	-111.34	383.04	6.47	-104.87
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000485432	0	35	-2.0	-99.33	343.50	4.15	-95.18
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000485433	0	38	-2.0	-106.88	351.66	4.66	-102.22
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000485434	0	44	-2.0	-108.97	367.33	5.73	-103.24
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000485435	0	39	-2.0	-113.11	358.21	4.24	-108.87
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000485436	0	38	-2.0	-100.63	337.96	4.25	-96.38
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000485437	0	40	-2.0	-103.78	361.14	5.79	-97.99
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000485438	0	38	-2.0	-110.69	337.42	4.44	-106.25
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000485439	0	37	-2.0	-117.23	341.63	5.44	-111.79
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000485440	0	35	-2.0	-114.79	321.52	3.63	-111.16
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000485441	0	38	-2.0	-104.90	342.84	4.27	-100.63
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000485442	0	41	-2.0	-119.26	358.94	5.72	-113.54
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000485443	0	34	-2.0	-109.04	314.10	1.72	-107.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(C)=C1O	REAL300000485444	0	39	-2.0	-103.33	346.08	3.40	-99.93
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000485445	0	32	-2.0	-98.59	317.99	2.57	-96.02
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000485446	0	42	-2.0	-105.03	364.02	5.48	-99.55
CC1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000485447	0	42	-2.0	-108.29	361.97	5.46	-102.83
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C)=C2O)C=C(C(=O)[O-])O1	REAL300000485448	0	38	-2.0	-105.68	340.02	3.59	-102.09
CN(C1=C2NC=CC2=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000485477	0	38	-2.0	-112.31	353.46	7.08	-105.23
CN(C1=C2NC=CC2=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000485504	0	36	-2.0	-110.41	322.37	5.22	-105.19
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000485540	1	42	-2.0	-109.22	380.75	4.99	-104.23
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000485542	1	42	-2.0	-111.98	376.24	4.96	-107.02
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000485543	0	46	-2.0	-117.80	404.36	4.76	-113.04
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000485544	1	46	-2.0	-99.24	407.67	6.26	-92.98
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000485546	0	42	-2.0	-107.65	389.29	5.54	-102.11
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000485547	1	42	-2.0	-107.61	388.73	5.35	-102.26
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000485548	1	48	-2.0	-114.94	408.62	6.28	-108.66
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000485549	0	42	-2.0	-109.51	381.70	5.03	-104.48
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000485550	1	48	-2.0	-98.61	419.78	6.55	-92.06
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000485551	0	39	-2.0	-106.08	369.40	3.98	-102.10
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000485552	1	45	-2.0	-113.02	391.65	5.75	-107.27
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000485554	1	43	-2.0	-110.30	382.87	4.32	-105.98
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000485556	0	42	-2.0	-102.74	385.33	4.64	-98.10
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000485558	0	39	-2.0	-106.67	367.87	4.00	-102.67
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(COCCOC)C=C1	REAL300000485560	1	48	-2.0	-111.41	406.36	6.68	-104.73
COCCOCC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000485561	0	42	-2.0	-105.78	379.23	4.10	-101.68
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000485562	0	46	-2.0	-113.78	405.19	4.06	-109.72
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000485563	1	45	-2.0	-103.47	396.93	5.78	-97.69
COCCOCC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000485564	1	42	-2.0	-109.38	384.82	4.86	-104.52
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000485565	0	42	-2.0	-97.08	389.27	5.53	-91.55
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000485566	1	42	-2.0	-98.94	380.76	5.01	-93.93
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000485567	0	39	-2.0	-101.37	368.49	4.10	-97.27
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000485568	1	42	-2.0	-102.68	382.63	5.03	-97.65
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000485569	0	45	-2.0	-110.97	401.98	5.67	-105.30
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000485570	0	42	-2.0	-99.02	381.68	5.04	-93.98
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000485571	1	42	-2.0	-97.04	388.72	5.37	-91.67
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000485572	0	43	-2.0	-112.14	385.93	2.68	-109.46
COCCOCC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000485572	1	43	-2.0	-108.00	385.12	3.46	-104.54
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000485573	1	45	-2.0	-103.40	398.39	5.74	-97.66
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000485574	1	45	-2.0	-109.67	390.04	5.71	-103.96
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000485575	1	45	-2.0	-111.46	401.05	5.62	-105.84
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000485579	0	45	-2.0	-110.61	397.69	5.57	-105.04
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000485580	0	45	-2.0	-117.57	401.23	5.66	-111.91
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(COCCOC)C=C2)C=C1C(=O)[O-]	REAL300000485582	1	46	-2.0	-111.64	404.24	5.19	-106.45
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000485585	0	42	-2.0	-116.83	379.88	4.99	-111.84
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000485586	1	45	-2.0	-105.17	401.18	5.63	-99.54
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000485587	0	41	-2.0	-108.80	372.43	3.08	-105.72
COCCOCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000485588	0	46	-2.0	-103.86	404.42	4.76	-99.10
COCCOCC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000485589	0	39	-2.0	-99.59	376.37	3.94	-95.65
CCC1=C(S(=O)(=O)[N-]C2=CC=C(COCCOC)C=C2)C=C(C(=O)[O-])O1	REAL300000485590	0	45	-2.0	-105.70	398.34	4.95	-100.75
CC1=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000485627	0	38	-2.0	-112.14	341.13	4.71	-107.43
CC1=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1O	REAL300000485656	0	36	-2.0	-105.62	324.15	2.99	-102.63
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485693	0	38	-2.0	-105.86	345.71	5.83	-100.03
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485694	0	35	-2.0	-106.65	330.27	5.10	-101.55
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C1	REAL300000485695	0	34	-2.0	-102.79	311.41	4.30	-98.49
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3CC2)=C1	REAL300000485696	0	37	-2.0	-104.41	329.97	6.84	-97.57
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1	REAL300000485697	0	29	-2.0	-110.84	283.99	4.69	-106.15
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000485698	0	31	-3.0	-157.37	308.95	4.16	-153.21
O=C([O-])C1=CC(F)=C(O)C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000485698	1	32	-2.0	-93.64	316.08	1.95	-91.69
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000485699	0	28	-2.0	-94.89	287.35	3.09	-91.80
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485700	0	30	-2.0	-100.42	296.33	4.84	-95.58
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485701	0	30	-2.0	-96.75	296.31	4.84	-91.91
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000485702	0	29	-2.0	-101.16	297.72	5.03	-96.13
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485703	0	30	-2.0	-112.00	293.59	4.72	-107.28
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1	REAL300000485704	0	29	-2.0	-104.57	291.98	5.13	-99.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1NC(C)=O	REAL300000485705	0	40	-2.0	-118.09	359.27	2.77	-115.32
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300000485706	0	33	-2.0	-96.55	321.49	4.24	-92.31
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000485707	0	31	-3.0	-168.69	308.49	5.05	-163.64
O=C([O-])C1=CC(F)=C(O)C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000485707	1	32	-2.0	-95.59	315.57	2.82	-92.77
CC1=C(C)C(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=C1C	REAL300000485708	0	44	-2.0	-106.42	352.15	7.50	-98.92
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1	REAL300000485709	0	38	-2.0	-103.86	338.32	4.39	-99.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1[N+](=O)[O-]	REAL300000485710	0	34	-2.0	-102.81	319.69	5.63	-97.18
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485711	0	32	-2.0	-99.71	291.74	2.23	-97.48
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Br)S2)=C1	REAL300000485712	0	26	-2.0	-96.95	289.10	4.20	-92.75
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485713	0	47	-2.0	-103.87	381.85	8.33	-95.54
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000485714	0	45	-2.0	-103.04	377.35	8.26	-94.78
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300000485715	0	32	-2.0	-96.24	314.22	5.45	-90.79
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1	REAL300000485716	0	39	-2.0	-105.55	338.21	6.93	-98.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485717	0	31	-3.0	-158.58	303.94	5.01	-153.57
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485717	1	32	-2.0	-105.26	311.04	2.80	-102.46
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485718	0	37	-2.0	-111.53	333.23	3.41	-108.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1OC	REAL300000485719	0	37	-2.0	-102.69	334.21	3.65	-99.04
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1	REAL300000485720	0	36	-2.0	-105.85	321.04	6.36	-99.49
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485721	0	31	-2.0	-95.28	288.59	3.36	-91.92
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1	REAL300000485722	0	29	-2.0	-95.60	307.40	5.42	-90.18
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485723	0	31	-3.0	-171.62	303.95	5.00	-166.62
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485723	1	32	-2.0	-95.53	311.07	2.79	-92.74
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300000485724	0	29	-2.0	-94.88	288.19	4.57	-90.31
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1	REAL300000485725	0	29	-2.0	-100.42	305.35	5.51	-94.91
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300000485726	0	32	-2.0	-99.83	314.57	5.47	-94.36
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485727	0	32	-2.0	-104.50	296.91	5.11	-99.39
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C=CC2=CC=CC=C2)=C1	REAL300000485728	1	33	-2.0	-102.83	307.39	5.65	-97.18
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1	REAL300000485729	0	32	-2.0	-107.36	301.36	5.78	-101.58
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300000485730	0	29	-2.0	-100.40	292.22	4.97	-95.43
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485731	0	34	-2.0	-102.60	318.23	4.93	-97.67
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485732	0	35	-2.0	-104.28	312.39	5.84	-98.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C	REAL300000485733	0	35	-2.0	-105.51	313.91	5.65	-99.86
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1	REAL300000485734	0	29	-2.0	-95.02	298.08	5.01	-90.01
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485735	0	34	-2.0	-112.80	316.76	4.85	-107.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=C1	REAL300000485736	0	35	-2.0	-103.83	312.39	5.84	-97.99
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485737	0	35	-2.0	-116.92	322.49	5.61	-111.31
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485738	0	38	-2.0	-98.86	352.11	6.04	-92.82
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1	REAL300000485739	0	29	-2.0	-102.82	303.81	5.45	-97.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1[N+](=O)[O-]	REAL300000485740	0	35	-2.0	-101.17	331.00	5.19	-95.98
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485741	0	41	-2.0	-103.50	351.69	6.77	-96.73
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485742	0	38	-2.0	-103.39	335.73	6.38	-97.01
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485743	0	41	-2.0	-103.25	354.17	7.04	-96.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485744	0	35	-3.0	-176.00	332.09	4.69	-171.31
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485745	0	35	-3.0	-158.29	335.40	6.30	-151.99
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485745	1	36	-2.0	-107.12	342.50	4.09	-103.03
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1	REAL300000485746	0	29	-2.0	-105.17	299.09	5.67	-99.50
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300000485747	0	26	-2.0	-96.79	284.47	4.10	-92.69
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485748	0	38	-2.0	-103.31	339.88	6.67	-96.64
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485749	0	33	-2.0	-110.49	303.75	4.13	-106.36
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000485750	0	34	-3.0	-175.38	319.97	5.55	-169.83
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000485750	1	35	-2.0	-131.56	326.89	3.32	-128.24
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485751	0	40	-2.0	-111.74	360.12	3.00	-108.74
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1	REAL300000485752	0	29	-2.0	-99.77	293.55	4.63	-95.14
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1	REAL300000485753	0	29	-2.0	-95.70	308.95	5.48	-90.22
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1	REAL300000485754	0	29	-2.0	-105.26	288.63	4.99	-100.27
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1	REAL300000485755	0	29	-2.0	-100.35	296.78	5.07	-95.28
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300000485756	0	31	-2.0	-100.57	303.71	5.12	-95.45
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485757	0	34	-2.0	-99.41	319.20	5.85	-93.56
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=C1	REAL300000485758	0	31	-2.0	-95.13	316.16	5.50	-89.63
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000485759	0	26	-2.0	-102.09	267.42	3.48	-98.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485760	0	33	-2.0	-102.04	304.99	3.74	-98.30
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300000485761	0	31	-2.0	-116.46	296.58	5.67	-110.79
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485762	0	31	-3.0	-166.21	317.02	5.56	-160.65
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000485763	0	31	-3.0	-167.39	316.46	5.41	-161.98
O=C([O-])C1=CC(F)=C(O)C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000485763	1	32	-2.0	-93.21	323.55	3.18	-90.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485764	0	32	-2.0	-104.09	296.89	5.12	-98.97
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485765	0	36	-2.0	-101.77	326.85	4.67	-97.10
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1	REAL300000485766	0	29	-2.0	-100.51	287.39	4.57	-95.94
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300000485767	0	29	-2.0	-100.55	281.89	4.51	-96.04
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1	REAL300000485768	0	29	-2.0	-95.05	288.30	4.58	-90.47
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1C	REAL300000485769	0	41	-2.0	-104.73	339.00	7.02	-97.71
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300000485770	0	35	-2.0	-104.14	319.98	3.60	-100.54
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=C1	REAL300000485771	0	38	-2.0	-104.11	327.04	6.69	-97.42
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485772	0	44	-2.0	-105.25	367.19	7.50	-97.75
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300000485773	0	29	-2.0	-97.72	292.21	4.97	-92.75
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1	REAL300000485774	0	29	-2.0	-97.65	296.78	5.07	-92.58
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300000485775	0	31	-2.0	-92.89	303.72	5.12	-87.77
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000485776	0	29	-2.0	-104.04	275.48	4.45	-99.59
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485777	0	36	-2.0	-108.97	331.83	3.33	-105.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000485778	0	29	-2.0	-103.22	289.31	4.28	-98.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1C	REAL300000485779	0	37	-3.0	-172.42	337.06	6.29	-166.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)=C1C	REAL300000485779	1	38	-2.0	-131.83	344.50	4.19	-127.64
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485780	0	33	-2.0	-103.94	320.48	4.65	-99.29
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=C1	REAL300000485781	0	31	-2.0	-107.38	313.29	6.18	-101.20
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485782	0	31	-3.0	-167.89	309.43	5.07	-162.82
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1	REAL300000485783	0	26	-2.0	-95.74	298.33	4.61	-91.13
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485784	0	44	-2.0	-103.20	378.95	7.95	-95.25
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485785	0	34	-2.0	-100.40	313.73	5.69	-94.71
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1	REAL300000485786	0	29	-2.0	-103.07	287.39	4.58	-98.49
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485787	0	37	-3.0	-157.26	347.52	6.60	-150.66
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485787	1	38	-2.0	-102.47	354.71	4.38	-98.09
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485788	0	39	-2.0	-108.64	352.14	4.15	-104.49
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1	REAL300000485789	0	33	-2.0	-100.00	311.23	1.27	-98.73
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485790	0	33	-2.0	-101.88	315.70	5.47	-96.41
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1	REAL300000485791	0	34	-2.0	-100.73	317.51	2.91	-97.82
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000485792	0	37	-2.0	-101.71	335.32	3.63	-98.08
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1OCC	REAL300000485793	0	43	-2.0	-102.95	377.92	5.49	-97.46
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)=C1	REAL300000485794	0	34	-2.0	-101.97	323.77	4.62	-97.35
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485795	0	28	-3.0	-165.35	297.14	4.06	-161.29
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1	REAL300000485796	0	32	-2.0	-99.86	307.23	1.96	-97.90
COC(=O)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485797	0	31	-2.0	-109.98	301.30	0.85	-109.13
COC(=O)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-]	REAL300000485797	1	30	-3.0	-207.87	292.68	3.82	-204.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485798	0	34	-3.0	-170.46	319.39	5.74	-164.72
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485798	1	35	-2.0	-130.11	327.46	3.66	-126.45
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485799	0	35	-2.0	-102.53	313.10	3.48	-99.05
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1C	REAL300000485800	0	37	-2.0	-99.16	336.92	6.40	-92.76
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485801	0	35	-2.0	-99.10	330.25	5.11	-93.99
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485802	0	36	-2.0	-103.17	331.92	2.72	-100.45
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485803	0	34	-2.0	-104.64	329.68	-0.59	-105.23
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)=C1	REAL300000485804	0	40	-2.0	-110.37	353.30	5.57	-104.80
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485805	0	38	-2.0	-111.90	347.75	6.03	-105.87
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485806	0	33	-2.0	-103.53	310.00	1.22	-102.31
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=CC=C21	REAL300000485807	0	40	-2.0	-112.80	356.07	5.57	-107.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485808	0	35	-2.0	-103.56	318.39	5.89	-97.67
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300000485809	0	35	-2.0	-106.72	321.43	6.73	-99.99
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=CS1	REAL300000485810	0	32	-2.0	-113.34	315.07	4.57	-108.77
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485811	0	39	-2.0	-102.84	352.06	4.96	-97.88
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=C1	REAL300000485812	0	39	-2.0	-101.29	334.59	5.23	-96.06
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485813	0	35	-3.0	-157.00	335.03	5.29	-151.71
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485813	1	36	-2.0	-103.12	342.18	3.08	-100.04
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C	REAL300000485814	0	43	-2.0	-104.27	380.54	4.68	-99.59
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=C1	REAL300000485815	0	40	-2.0	-105.71	359.72	8.57	-97.14
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485816	0	41	-2.0	-103.66	356.70	7.13	-96.53
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1	REAL300000485817	0	29	-2.0	-97.06	281.89	4.51	-92.55
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC=C2F)=C1	REAL300000485818	0	29	-2.0	-108.54	280.97	4.51	-104.03
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C1	REAL300000485819	0	34	-2.0	-100.38	317.87	4.94	-95.44
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485820	0	35	-2.0	-116.15	328.36	2.83	-113.32
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=C2N=C1	REAL300000485821	0	37	-2.0	-120.04	336.83	5.73	-114.31
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485822	0	39	-2.0	-101.34	348.34	5.47	-95.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(Cl)=C1	REAL300000485823	0	32	-2.0	-105.03	310.03	5.66	-99.37
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1	REAL300000485824	0	33	-2.0	-106.51	320.23	4.61	-101.90
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=C1	REAL300000485825	0	35	-2.0	-101.13	326.23	1.68	-99.45
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485826	0	34	-2.0	-108.29	329.67	-0.59	-108.88
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=CC=C21	REAL300000485827	0	37	-2.0	-101.16	338.32	4.88	-96.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C([N+](=O)[O-])=C1	REAL300000485828	0	35	-2.0	-112.26	326.04	4.97	-107.29
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)=C1	REAL300000485829	0	35	-2.0	-100.22	332.04	1.45	-98.77
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=C2C1=O	REAL300000485830	0	36	-2.0	-98.65	341.33	3.72	-94.93
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000485831	0	34	-2.0	-97.96	323.18	5.95	-92.01
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=CC=C21	REAL300000485832	0	35	-2.0	-100.56	329.60	4.41	-96.15
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000485833	0	33	-2.0	-98.29	321.48	4.24	-94.05
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485834	0	35	-2.0	-109.02	336.19	1.97	-107.05
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485835	0	32	-2.0	-96.79	297.38	5.24	-91.55
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=C1	REAL300000485836	0	39	-2.0	-106.91	345.36	8.30	-98.61
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300000485837	0	29	-2.0	-97.77	295.02	5.06	-92.71
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=C1	REAL300000485838	0	41	-2.0	-111.36	361.42	3.82	-107.54
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(F)=C1	REAL300000485839	0	36	-2.0	-116.21	337.34	3.38	-112.83
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485840	0	35	-2.0	-112.06	336.19	1.97	-110.09
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1OC	REAL300000485842	0	37	-2.0	-104.65	339.69	3.72	-100.93
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1OC	REAL300000485843	0	40	-2.0	-102.37	349.66	4.37	-98.00
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000485844	0	32	-3.0	-169.86	310.60	4.39	-165.47
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1Cl	REAL300000485845	0	29	-2.0	-109.91	292.96	4.03	-105.88
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(N)=O	REAL300000485846	0	34	-2.0	-102.09	317.44	0.64	-101.45
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485847	0	35	-3.0	-170.42	328.15	3.79	-166.63
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485847	1	36	-2.0	-131.55	336.22	1.70	-129.85
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485848	0	40	-2.0	-104.25	360.47	3.94	-100.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1Cl	REAL300000485849	0	33	-2.0	-100.68	321.00	4.30	-96.38
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1F	REAL300000485850	0	33	-2.0	-100.64	311.20	3.82	-96.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C	REAL300000485851	0	36	-2.0	-102.93	325.05	4.49	-98.44
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C	REAL300000485852	0	39	-2.0	-102.57	346.92	5.42	-97.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(N)=O	REAL300000485853	0	36	-2.0	-99.17	326.07	1.92	-97.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(N)=O	REAL300000485854	0	37	-2.0	-101.01	337.30	1.83	-99.18
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000485855	0	29	-2.0	-101.53	280.04	2.19	-99.34
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485856	0	34	-2.0	-92.59	319.20	5.85	-86.74
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCC2=CC=CC=C2)=C1	REAL300000485857	0	35	-2.0	-113.58	327.24	3.81	-109.77
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CN1C	REAL300000485858	0	37	-2.0	-102.60	339.37	2.13	-100.47
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485859	0	32	-2.0	-99.89	307.71	5.70	-94.19
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485860	0	42	-2.0	-101.38	368.44	6.17	-95.21
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=N2)C=C1	REAL300000485861	0	39	-2.0	-102.37	357.46	6.28	-96.09
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C1	REAL300000485862	0	36	-2.0	-108.57	342.13	2.69	-105.88
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C1	REAL300000485862	1	35	-3.0	-205.87	333.51	5.66	-200.21
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)=C1	REAL300000485863	0	40	-2.0	-102.78	350.95	4.59	-98.19
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C	REAL300000485864	0	39	-2.0	-102.94	349.07	5.33	-97.61
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485865	0	31	-3.0	-162.02	313.06	4.72	-157.30
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1Cl	REAL300000485866	0	30	-2.0	-94.21	311.70	5.26	-88.95
N#CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1Cl	REAL300000485867	0	30	-2.0	-94.86	311.72	5.25	-89.61
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000485868	0	37	-3.0	-171.97	335.40	6.28	-165.69
CC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000485868	1	38	-2.0	-130.93	343.47	4.20	-126.73
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C1	REAL300000485869	0	33	-2.0	-107.92	313.86	4.81	-103.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C2=CC=CN=C12	REAL300000485870	0	38	-2.0	-106.47	340.79	4.21	-102.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1Cl	REAL300000485871	0	32	-2.0	-101.06	310.95	5.56	-95.50
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1	REAL300000485872	0	29	-2.0	-105.95	297.15	5.01	-100.94
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1OC(C)C	REAL300000485873	0	42	-2.0	-102.98	364.84	6.04	-96.94
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485874	0	35	-2.0	-98.63	331.96	4.80	-93.83
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C2=CC=CC=C12	REAL300000485875	0	39	-2.0	-109.70	344.86	6.10	-103.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1F	REAL300000485876	0	32	-2.0	-100.86	302.21	5.16	-95.70
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485877	0	32	-2.0	-97.43	307.71	5.69	-91.74
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485878	0	32	-2.0	-108.59	302.40	5.16	-103.43
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485879	0	32	-2.0	-99.91	297.38	5.24	-94.67
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C1	REAL300000485880	0	35	-2.0	-102.58	335.54	6.51	-96.07
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485881	0	34	-2.0	-116.89	309.13	6.43	-110.46
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)=C1	REAL300000485882	0	37	-2.0	-105.59	340.80	3.69	-101.90
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485883	0	39	-2.0	-112.19	347.62	4.31	-107.88
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000485884	0	43	-2.0	-101.30	370.14	6.67	-94.63
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485885	0	37	-2.0	-120.01	336.75	5.75	-114.26
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485886	0	45	-2.0	-101.01	387.40	6.77	-94.24
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485887	0	39	-2.0	-105.52	361.35	5.37	-100.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CS1	REAL300000485888	0	28	-3.0	-167.01	295.60	4.06	-162.95
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1Cl	REAL300000485889	0	32	-2.0	-105.78	317.83	6.26	-99.52
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=C1	REAL300000485890	0	31	-2.0	-93.45	316.84	5.66	-87.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000485891	0	35	-3.0	-177.79	331.23	5.08	-172.71
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000485891	1	36	-2.0	-100.15	338.23	2.85	-97.30
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C2=CC=CN=C2C=C1	REAL300000485892	0	37	-2.0	-105.46	325.59	5.72	-99.74
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Br)C=CS2)=C1	REAL300000485893	0	26	-2.0	-101.08	287.80	4.05	-97.03
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1O	REAL300000485894	0	36	-2.0	-101.21	339.09	3.14	-98.07
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485895	0	42	-2.0	-111.34	378.89	4.25	-107.09
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1	REAL300000485896	0	31	-2.0	-109.25	302.97	5.74	-103.51
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485897	0	40	-3.0	-173.53	357.85	7.00	-166.53
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485897	1	41	-2.0	-132.25	363.60	4.44	-127.81
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300000485898	0	39	-2.0	-104.49	349.68	7.86	-96.63
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1	REAL300000485899	0	31	-2.0	-112.91	308.88	5.68	-107.23
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485900	0	38	-2.0	-111.70	355.52	2.99	-108.71
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485901	0	40	-2.0	-112.48	366.24	4.11	-108.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=C1	REAL300000485902	0	36	-2.0	-101.92	320.45	4.47	-97.45
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C	REAL300000485903	0	39	-2.0	-102.96	340.10	5.26	-97.70
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)=C1	REAL300000485904	0	40	-2.0	-114.25	363.54	4.42	-109.83
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485905	0	33	-2.0	-105.52	306.67	2.70	-102.82
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CNN=C2)=C1	REAL300000485906	0	26	-2.0	-98.92	257.07	0.88	-98.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485907	0	37	-3.0	-169.10	334.08	6.69	-162.41
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485907	1	38	-2.0	-129.75	345.05	4.51	-125.24
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1	REAL300000485908	0	32	-2.0	-107.85	315.01	5.33	-102.52
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485909	0	38	-3.0	-180.05	354.38	5.46	-174.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC(C(=O)[O-])=C1	REAL300000485910	0	33	-4.0	-256.47	332.35	5.57	-250.90
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)=CC(C(=O)[O-])=C1	REAL300000485910	1	34	-3.0	-186.54	339.44	3.34	-183.20
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000485911	0	32	-2.0	-97.42	323.36	4.24	-93.18
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485912	0	38	-3.0	-175.28	348.20	6.90	-168.38
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485912	1	39	-2.0	-131.92	355.62	4.79	-127.13
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C	REAL300000485913	0	37	-2.0	-114.76	335.01	6.86	-107.90
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C1	REAL300000485914	0	33	-2.0	-96.87	313.30	4.83	-92.04
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1	REAL300000485915	0	29	-2.0	-101.04	290.40	4.76	-96.28
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C(C(=O)[O-])O1	REAL300000485916	0	31	-3.0	-163.03	306.96	4.16	-158.87
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1	REAL300000485917	0	32	-2.0	-123.79	303.68	3.69	-120.10
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485918	0	35	-2.0	-108.17	335.75	5.15	-103.02
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485919	0	39	-2.0	-112.19	347.01	5.71	-106.48
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000485920	0	32	-2.0	-94.57	319.81	5.51	-89.06
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485921	0	45	-2.0	-101.00	391.34	7.03	-93.97
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1	REAL300000485922	0	31	-2.0	-114.40	309.20	6.32	-108.08
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1	REAL300000485923	0	34	-2.0	-114.26	323.82	4.62	-109.64
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1	REAL300000485924	0	28	-2.0	-95.39	291.81	3.26	-92.13
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485925	0	43	-2.0	-104.31	382.32	4.91	-99.40
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1	REAL300000485926	0	31	-2.0	-118.13	301.51	5.83	-112.30
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485927	0	35	-3.0	-176.32	332.91	3.98	-172.34
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000485928	0	36	-2.0	-102.98	336.06	5.60	-97.38
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000485929	0	39	-2.0	-102.48	361.47	6.04	-96.44
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1	REAL300000485930	0	28	-2.0	-95.14	276.89	2.73	-92.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(F)(F)F	REAL300000485931	0	35	-2.0	-100.45	329.91	5.97	-94.48
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=CC=C21	REAL300000485932	0	39	-2.0	-101.60	355.73	5.36	-96.24
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485933	0	32	-2.0	-102.14	323.54	4.14	-98.00
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485934	0	37	-2.0	-98.31	333.92	6.80	-91.51
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=C1	REAL300000485935	0	34	-2.0	-105.48	311.65	4.86	-100.62
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1	REAL300000485936	0	28	-2.0	-97.12	300.64	3.56	-93.56
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1OCC(=O)[O-]	REAL300000485937	0	38	-3.0	-157.59	355.11	6.00	-151.59
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1OCC(=O)[O-]	REAL300000485937	1	39	-2.0	-102.21	362.15	3.78	-98.43
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485938	0	29	-2.0	-111.81	279.51	3.59	-108.22
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=C1	REAL300000485939	0	39	-2.0	-101.64	342.30	5.40	-96.24
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=C12	REAL300000485940	0	37	-2.0	-99.21	341.80	4.17	-95.04
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=C12	REAL300000485941	0	33	-2.0	-95.44	315.24	1.43	-94.01
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000485942	0	29	-2.0	-93.90	291.43	2.96	-90.94
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=C1	REAL300000485943	0	38	-2.0	-105.03	357.03	7.29	-97.74
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1	REAL300000485944	0	29	-2.0	-106.98	287.26	4.57	-102.41
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(F)=C1	REAL300000485945	0	33	-2.0	-106.27	313.48	3.99	-102.28
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1	REAL300000485946	0	31	-2.0	-109.39	313.31	6.19	-103.20
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485947	0	34	-3.0	-161.24	324.67	5.78	-155.46
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485947	1	35	-2.0	-119.82	332.59	3.70	-116.12
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1	REAL300000485948	0	35	-2.0	-109.69	318.62	3.98	-105.71
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CN1C	REAL300000485949	0	32	-2.0	-112.13	299.01	3.38	-108.75
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1	REAL300000485950	0	33	-2.0	-106.23	313.49	4.40	-101.83
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485951	0	38	-2.0	-106.35	352.15	6.03	-100.32
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000485952	0	32	-2.0	-101.67	301.57	3.04	-98.63
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485953	0	41	-2.0	-98.40	373.61	6.83	-91.57
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485954	0	36	-2.0	-105.31	330.55	4.17	-101.14
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485955	0	35	-2.0	-111.05	327.12	5.68	-105.37
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000485956	0	32	-2.0	-102.15	320.05	5.52	-96.63
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)=C1	REAL300000485957	0	32	-2.0	-99.56	307.77	5.84	-93.72
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1	REAL300000485958	0	29	-2.0	-103.67	307.55	4.54	-99.13
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000485959	0	38	-3.0	-180.83	353.08	5.99	-174.84
CCOC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000485959	1	39	-2.0	-138.53	360.16	3.77	-134.76
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1	REAL300000485960	0	34	-2.0	-102.43	311.46	3.74	-98.69
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1	REAL300000485961	0	29	-2.0	-100.23	295.02	5.06	-95.17
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=C2)=CO1	REAL300000485962	0	38	-2.0	-106.54	351.89	3.52	-103.02
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCOCC(F)(F)F)=C1	REAL300000485963	0	32	-2.0	-107.75	320.94	0.51	-107.24
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)CCOCC(F)(F)F)=C1	REAL300000485963	1	31	-3.0	-204.05	312.32	3.48	-200.57
CC1CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=CC=C2O1	REAL300000485964	0	37	-2.0	-102.79	332.40	5.05	-97.74
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=C1	REAL300000485965	0	33	-2.0	-98.01	319.78	1.31	-96.70
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485966	0	29	-2.0	-99.64	275.87	1.49	-98.15
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485967	0	33	-2.0	-105.50	304.98	3.75	-101.75
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485968	0	32	-2.0	-103.58	290.97	5.18	-98.40
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000485969	0	35	-2.0	-107.58	336.82	2.66	-104.92
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000485969	1	34	-3.0	-166.77	333.82	1.53	-165.24
CN1C=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=N1	REAL300000485970	0	29	-2.0	-108.95	280.32	2.03	-106.92
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485971	0	29	-2.0	-96.48	275.73	2.07	-94.41
COC1=CC=C(OCCCS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485972	0	43	-2.0	-115.04	386.72	2.69	-112.35
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CC2CCCO2)=C1	REAL300000485973	0	33	-2.0	-119.72	301.92	0.49	-119.23
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)CC2CCCO2)=C1	REAL300000485973	1	32	-3.0	-220.41	293.35	3.42	-216.99
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CC2CCCCO2)=C1	REAL300000485974	0	36	-2.0	-118.08	319.48	1.55	-116.53
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)CC2CCCCO2)=C1	REAL300000485974	1	35	-3.0	-218.83	310.85	4.42	-214.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(F)=C1	REAL300000485977	0	32	-2.0	-108.20	302.40	5.17	-103.03
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1F	REAL300000485978	0	32	-2.0	-97.66	302.20	5.15	-92.51
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CNC=N2)=C1	REAL300000485979	0	26	-2.0	-108.86	256.79	1.88	-106.98
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)O1	REAL300000485980	0	32	-2.0	-98.39	315.03	3.28	-95.11
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1	REAL300000485981	0	34	-2.0	-119.93	315.43	5.09	-114.84
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000485982	0	35	-2.0	-107.95	341.90	5.16	-102.79
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1	REAL300000485983	0	29	-2.0	-95.55	293.66	4.63	-90.92
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C(C(=O)[O-])S1	REAL300000485984	0	31	-3.0	-166.71	312.58	4.88	-161.83
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1C	REAL300000485985	0	38	-2.0	-106.45	340.32	5.71	-100.74
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000485986	0	33	-2.0	-105.46	318.09	4.29	-101.17
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CN=C1Cl	REAL300000485987	0	31	-2.0	-95.63	306.14	3.68	-91.95
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485988	0	35	-2.0	-110.76	333.65	2.06	-108.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=C1C	REAL300000485989	0	39	-2.0	-102.85	336.83	5.11	-97.74
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000485990	0	38	-2.0	-108.66	352.46	5.89	-102.77
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=C21	REAL300000485992	0	40	-2.0	-124.18	356.00	5.57	-118.61
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000485993	0	41	-2.0	-103.47	353.59	5.01	-98.46
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)SC=C1	REAL300000485994	0	29	-2.0	-103.58	283.71	4.24	-99.34
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1C	REAL300000485995	0	38	-2.0	-103.28	334.00	4.29	-98.99
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C	REAL300000485996	0	38	-2.0	-99.58	346.28	5.65	-93.93
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1[N+](=O)[O-]	REAL300000485997	0	34	-2.0	-93.46	319.70	5.63	-87.83
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000486000	0	37	-2.0	-114.57	335.07	2.90	-111.67
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486001	0	33	-2.0	-99.68	311.75	5.57	-94.11
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1F	REAL300000486002	0	36	-2.0	-112.10	336.66	3.47	-108.63
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1[N+](=O)[O-]	REAL300000486003	0	34	-2.0	-101.97	325.17	5.70	-96.27
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486004	0	41	-2.0	-102.31	327.73	7.02	-95.29
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1C	REAL300000486005	0	39	-2.0	-121.11	350.08	4.25	-116.86
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486006	0	33	-2.0	-105.49	313.15	4.69	-100.80
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486007	0	33	-2.0	-96.49	311.74	5.57	-90.92
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486008	0	41	-2.0	-102.79	337.36	7.74	-95.05
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000486010	0	38	-2.0	-110.10	344.16	4.52	-105.58
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1OC	REAL300000486011	0	39	-2.0	-102.73	357.57	5.16	-97.57
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(F)=C1	REAL300000486012	0	30	-2.0	-100.24	301.79	4.92	-95.32
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=C2O1	REAL300000486013	0	34	-2.0	-102.21	319.13	2.12	-100.09
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000486014	0	35	-2.0	-101.68	320.25	3.57	-98.11
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486015	0	34	-2.0	-108.50	313.33	0.77	-107.73
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1	REAL300000486016	0	34	-2.0	-104.49	316.46	4.84	-99.65
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000486017	0	35	-2.0	-107.00	334.86	3.25	-103.75
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CN1	REAL300000486018	0	35	-2.0	-112.15	319.45	2.93	-109.22
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C([N+](=O)[O-])=C1	REAL300000486019	0	32	-2.0	-106.89	317.32	6.06	-100.83
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=NN1C1=CC=CC=N1	REAL300000486022	0	38	-2.0	-106.39	347.72	5.83	-100.56
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486023	0	40	-2.0	-110.59	365.22	1.91	-108.68
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2[O-])C=C1	REAL300000486023	1	39	-3.0	-208.71	356.60	4.88	-203.83
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000486024	0	29	-2.0	-89.76	294.48	4.63	-85.13
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486025	0	40	-2.0	-101.20	357.95	6.28	-94.92
CC(C)OCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486026	0	35	-2.0	-109.54	321.65	0.80	-108.74
CC(C)OCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-]	REAL300000486026	1	34	-3.0	-207.46	313.02	3.76	-203.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CN1C	REAL300000486027	0	36	-2.0	-106.23	336.65	4.58	-101.65
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486028	0	44	-2.0	-103.47	365.93	7.24	-96.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(Cl)=C1	REAL300000486029	0	31	-3.0	-157.19	317.00	5.55	-151.64
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000486030	0	31	-3.0	-158.08	308.47	5.05	-153.03
O=C([O-])C1=CC(F)=C(O)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000486030	1	32	-2.0	-107.46	315.40	2.83	-104.63
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486031	0	37	-2.0	-112.15	341.97	3.85	-108.30
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000486032	0	36	-2.0	-106.26	340.45	5.76	-100.50
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486033	0	39	-2.0	-111.11	353.72	5.10	-106.01
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC(C)=C1F	REAL300000486034	0	35	-2.0	-98.35	322.52	5.79	-92.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000486035	0	28	-3.0	-160.60	296.21	4.16	-156.44
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486036	0	38	-2.0	-111.54	340.03	5.75	-105.79
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486037	0	31	-3.0	-163.85	310.37	5.07	-158.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1F	REAL300000486038	0	34	-3.0	-169.59	329.70	5.70	-163.89
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486039	0	43	-2.0	-101.38	368.31	6.51	-94.87
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CN1	REAL300000486040	0	33	-2.0	-104.82	318.88	2.84	-101.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(F)=C1	REAL300000486041	0	31	-3.0	-159.06	309.41	5.09	-153.97
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000486042	0	31	-3.0	-156.34	316.44	5.42	-150.92
O=C([O-])C1=CC(F)=C(O)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000486042	1	32	-2.0	-102.93	323.37	3.18	-99.75
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486043	0	32	-2.0	-100.47	296.28	5.21	-95.26
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1C	REAL300000486044	0	38	-2.0	-101.16	346.30	5.64	-95.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CS1	REAL300000486045	0	32	-2.0	-103.31	322.76	4.15	-99.16
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1F	REAL300000486046	0	35	-2.0	-97.11	334.82	5.13	-91.98
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000486047	0	31	-2.0	-101.02	300.72	2.99	-98.03
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486048	0	33	-2.0	-108.45	317.74	5.62	-102.83
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486049	0	37	-2.0	-93.12	333.86	6.68	-86.44
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1O	REAL300000486050	0	37	-2.0	-115.83	341.62	0.61	-115.22
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486053	0	35	-2.0	-99.33	329.71	6.18	-93.15
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486054	0	35	-2.0	-104.82	318.37	5.88	-98.94
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486055	0	32	-2.0	-100.50	303.31	5.18	-95.32
CC(C)(C)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486056	0	37	-2.0	-113.28	322.57	2.50	-110.78
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486057	0	35	-2.0	-99.33	333.37	3.94	-95.39
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=C1	REAL300000486058	0	35	-2.0	-100.30	326.86	3.52	-96.78
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000486059	0	31	-3.0	-160.04	314.77	5.11	-154.93
O=C([O-])C1=CC(F)=C(O)C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000486059	1	32	-2.0	-93.96	321.86	2.88	-91.08
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486060	0	39	-2.0	-112.12	358.42	4.79	-107.33
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486061	0	41	-2.0	-106.19	363.38	6.38	-99.81
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=CC=C2O1	REAL300000486062	0	40	-2.0	-102.94	352.92	5.71	-97.23
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C(F)C=C1F	REAL300000486063	0	32	-2.0	-100.64	307.70	5.21	-95.43
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=C1	REAL300000486064	0	35	-2.0	-111.20	327.27	7.42	-103.78
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1	REAL300000486065	0	35	-2.0	-112.20	316.53	6.75	-105.45
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1	REAL300000486066	0	31	-2.0	-101.64	307.48	3.94	-97.70
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486067	0	32	-3.0	-168.78	313.66	2.61	-166.17
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1	REAL300000486068	0	39	-2.0	-107.50	330.80	7.06	-100.44
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486069	0	34	-3.0	-161.60	326.12	5.79	-155.81
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486069	1	35	-2.0	-104.91	333.31	3.58	-101.33
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)O1	REAL300000486070	0	35	-2.0	-98.57	336.89	4.20	-94.37
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1	REAL300000486071	0	31	-2.0	-93.83	310.12	5.19	-88.64
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486072	0	34	-2.0	-112.35	331.32	5.48	-106.87
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=CC=C21	REAL300000486073	0	41	-2.0	-103.12	366.22	6.00	-97.12
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486074	0	32	-2.0	-113.78	318.23	5.13	-108.65
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)SC=C1	REAL300000486075	0	30	-2.0	-110.65	297.66	2.78	-107.87
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)OC2=CC=C(F)C=C12	REAL300000486076	0	35	-2.0	-103.62	332.23	5.59	-98.03
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000486077	0	32	-2.0	-106.25	305.25	4.87	-101.38
CC1=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=CC=C2C=C1	REAL300000486078	0	37	-2.0	-121.77	337.00	5.70	-116.07
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=C21	REAL300000486079	0	40	-2.0	-99.64	358.79	3.96	-95.68
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=C1	REAL300000486080	0	35	-2.0	-104.08	330.90	7.17	-96.91
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)SC2=CC=CC(F)=C12	REAL300000486081	0	35	-2.0	-106.83	332.98	6.64	-100.19
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1F	REAL300000486082	0	34	-2.0	-101.20	329.51	5.82	-95.38
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486083	0	31	-2.0	-109.21	308.74	3.01	-106.20
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])=C1	REAL300000486084	0	37	-2.0	-126.33	346.94	4.21	-122.12
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486085	0	29	-2.0	-93.98	290.47	3.39	-90.59
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)N=C1Cl	REAL300000486086	0	29	-2.0	-109.50	295.83	3.32	-106.18
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC(OC)=C1	REAL300000486087	0	37	-2.0	-106.73	334.47	3.05	-103.68
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1	REAL300000486088	0	30	-2.0	-109.47	291.32	3.20	-106.27
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1C	REAL300000486089	0	37	-2.0	-117.59	325.79	6.97	-110.62
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486090	0	30	-2.0	-94.88	297.71	2.27	-92.61
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000486091	0	28	-2.0	-100.03	284.02	2.31	-97.72
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486092	0	34	-2.0	-93.17	323.70	5.87	-87.30
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486093	0	34	-3.0	-172.02	313.99	5.62	-166.40
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486093	1	35	-2.0	-94.81	321.95	3.51	-91.30
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486094	0	36	-2.0	-111.67	335.00	-0.69	-112.36
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-]	REAL300000486094	1	35	-3.0	-209.88	326.37	2.28	-207.60
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC(C(=O)[O-])=C1F	REAL300000486095	0	34	-3.0	-172.25	328.80	5.66	-166.59
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)=CC(C(=O)[O-])=C1F	REAL300000486095	1	35	-2.0	-132.03	335.83	3.44	-128.59
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486096	0	34	-3.0	-158.70	319.37	5.74	-152.96
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486096	1	35	-2.0	-105.57	327.44	3.66	-101.91
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486097	0	35	-2.0	-112.06	334.44	5.43	-106.63
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(F)=C1	REAL300000486098	0	30	-2.0	-100.61	304.78	5.09	-95.52
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1F	REAL300000486099	0	32	-2.0	-102.99	307.68	5.22	-97.77
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1[N+](=O)[O-]	REAL300000486100	0	35	-2.0	-93.63	331.02	5.19	-88.44
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC(C(=O)[O-])=C1C	REAL300000486101	0	37	-3.0	-177.50	336.82	6.07	-171.43
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)=CC(C(=O)[O-])=C1C	REAL300000486101	1	38	-2.0	-95.61	343.56	3.84	-91.77
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1	REAL300000486102	0	35	-2.0	-113.44	333.22	7.26	-106.18
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1	REAL300000486103	0	32	-2.0	-100.84	320.82	5.98	-94.86
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1CC	REAL300000486104	0	41	-2.0	-105.52	352.55	7.01	-98.51
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCC2CC2)=C1	REAL300000486105	0	32	-2.0	-112.62	298.95	2.36	-110.26
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000486106	0	31	-3.0	-159.88	315.68	5.13	-154.75
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC([N+](=O)[O-])=C1F	REAL300000486107	0	34	-2.0	-94.96	328.54	5.77	-89.19
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1	REAL300000486108	0	28	-2.0	-101.64	294.45	3.80	-97.84
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486109	0	35	-2.0	-110.96	320.93	4.89	-106.07
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000486110	0	34	-2.0	-95.77	326.23	3.28	-92.49
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1	REAL300000486111	0	28	-2.0	-93.75	300.93	3.62	-90.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=C1C(=O)[O-]	REAL300000486112	0	37	-3.0	-176.79	337.48	6.40	-170.39
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=C1C(=O)[O-]	REAL300000486112	1	38	-2.0	-98.13	345.86	4.26	-93.87
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000486113	0	34	-3.0	-169.33	325.43	5.60	-163.73
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486114	0	34	-3.0	-181.63	328.98	5.70	-175.93
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486115	0	37	-2.0	-112.97	338.58	5.71	-107.26
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000486116	0	36	-2.0	-100.12	335.24	2.09	-98.03
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C([N+](=O)[O-])=N1	REAL300000486117	0	34	-2.0	-110.68	325.81	5.11	-105.57
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000486118	0	37	-3.0	-176.34	338.24	6.19	-170.15
CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000486118	1	38	-2.0	-132.11	345.25	3.98	-128.13
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1	REAL300000486119	0	40	-2.0	-101.47	352.64	3.02	-98.45
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1C#N	REAL300000486122	0	33	-2.0	-113.07	312.74	5.22	-107.85
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486123	0	34	-3.0	-157.24	324.42	4.89	-152.35
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486123	1	35	-2.0	-107.58	332.51	2.81	-104.77
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000486124	0	38	-2.0	-103.58	348.48	6.12	-97.46
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486125	0	35	-2.0	-110.94	322.81	5.25	-105.69
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300000486126	0	37	-2.0	-99.91	333.52	2.23	-97.68
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)=C1	REAL300000486127	0	36	-2.0	-105.43	339.85	4.99	-100.44
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1F	REAL300000486128	0	32	-2.0	-109.53	301.30	5.16	-104.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000486129	0	35	-2.0	-97.65	324.52	2.07	-95.58
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1	REAL300000486130	0	36	-2.0	-115.50	321.43	4.52	-110.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1CC(=O)[O-]	REAL300000486131	0	38	-3.0	-177.77	354.41	5.14	-172.63
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)C=C1CC(=O)[O-]	REAL300000486131	1	39	-2.0	-98.24	361.48	2.92	-95.32
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486132	0	36	-2.0	-103.56	330.57	4.18	-99.38
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486133	0	34	-2.0	-105.90	314.76	1.32	-104.58
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1Cl	REAL300000486134	0	32	-2.0	-106.12	307.35	5.58	-100.54
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C(C)O1	REAL300000486136	0	32	-2.0	-101.29	298.44	4.03	-97.26
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)=C1	REAL300000486137	0	35	-2.0	-109.55	321.74	2.10	-107.45
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=C1	REAL300000486138	0	37	-2.0	-103.89	329.20	5.08	-98.81
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486139	0	36	-2.0	-102.81	322.10	4.45	-98.36
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C(C(=O)OC)O1	REAL300000486140	0	38	-2.0	-97.55	352.49	4.87	-92.68
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486141	0	39	-2.0	-101.91	344.77	5.30	-96.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)O1	REAL300000486142	0	29	-2.0	-103.39	280.08	3.30	-100.09
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486143	0	32	-2.0	-104.01	307.71	4.84	-99.17
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1	REAL300000486144	0	32	-2.0	-100.63	301.54	3.11	-97.52
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C2=NC=CC=C2C=C1	REAL300000486145	0	37	-2.0	-118.58	329.29	6.19	-112.39
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1	REAL300000486146	0	35	-2.0	-111.94	324.76	6.23	-105.71
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486147	0	35	-2.0	-108.04	327.12	5.68	-102.36
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1	REAL300000486148	0	31	-2.0	-91.62	308.22	5.14	-86.48
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1	REAL300000486149	0	29	-2.0	-95.35	298.64	5.03	-90.32
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C(C)O1	REAL300000486150	0	35	-2.0	-97.62	333.32	4.02	-93.60
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1	REAL300000486151	0	28	-2.0	-95.48	287.24	3.15	-92.33
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)N=C1C	REAL300000486152	0	35	-2.0	-113.21	321.09	4.28	-108.93
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486153	0	32	-2.0	-105.42	310.03	5.66	-99.76
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000486154	0	35	-3.0	-171.31	331.97	5.26	-166.05
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486155	0	32	-2.0	-102.09	315.37	3.22	-98.87
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486156	0	41	-2.0	-104.24	354.97	4.93	-99.31
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CN1C	REAL300000486157	0	39	-2.0	-105.92	358.52	5.51	-100.41
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486158	0	37	-2.0	-99.83	335.17	6.36	-93.47
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1	REAL300000486159	0	29	-2.0	-108.36	291.54	5.19	-103.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(Cl)=N1	REAL300000486160	0	31	-2.0	-103.64	305.38	3.74	-99.90
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486161	0	34	-2.0	-102.61	324.53	4.53	-98.08
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1Cl	REAL300000486162	0	33	-2.0	-100.57	330.69	5.92	-94.65
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000486163	0	31	-2.0	-99.56	305.50	3.06	-96.50
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=C12	REAL300000486164	0	36	-2.0	-94.30	336.73	2.16	-92.14
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000486165	0	31	-2.0	-97.89	313.62	4.81	-93.08
CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486166	0	39	-2.0	-121.87	365.27	-1.12	-122.99
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CN=C1Cl	REAL300000486167	0	32	-2.0	-93.93	316.34	2.41	-91.52
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=CC=C21	REAL300000486168	0	38	-2.0	-100.60	351.41	5.42	-95.18
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000486169	0	31	-2.0	-93.89	310.99	3.76	-90.13
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486170	0	35	-2.0	-100.32	336.69	5.17	-95.15
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=C1	REAL300000486171	0	32	-2.0	-101.41	320.86	1.67	-99.74
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486172	0	44	-2.0	-103.40	373.82	5.84	-97.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=C1F	REAL300000486173	0	36	-2.0	-100.41	325.58	4.51	-95.90
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(Cl)=C1	REAL300000486174	0	30	-2.0	-97.49	309.38	5.39	-92.10
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1	REAL300000486175	0	32	-2.0	-112.67	303.41	4.78	-107.89
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486176	0	34	-2.0	-99.99	325.44	3.31	-96.68
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1	REAL300000486177	0	26	-2.0	-98.09	279.86	3.21	-94.88
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C(C2=CC=CC=C2)O1	REAL300000486178	0	38	-2.0	-110.46	349.92	3.54	-106.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1[N+](=O)[O-]	REAL300000486179	0	37	-2.0	-100.31	335.17	6.36	-93.95
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486180	0	39	-2.0	-110.91	339.05	5.95	-104.96
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1	REAL300000486181	0	29	-2.0	-100.38	296.56	4.82	-95.56
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CC2CCCOC2)=C1	REAL300000486182	0	36	-2.0	-116.14	315.72	1.05	-115.09
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)CC2CCCOC2)=C1	REAL300000486182	1	35	-3.0	-215.06	307.15	3.98	-211.08
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486183	0	37	-2.0	-105.80	326.59	4.84	-100.96
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCC2=CC=CS2)=C1	REAL300000486184	0	32	-2.0	-112.33	317.47	2.91	-109.42
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)CCC2=CC=CS2)=C1	REAL300000486184	1	31	-3.0	-212.05	308.86	5.88	-206.17
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486185	0	41	-2.0	-105.55	367.57	6.76	-98.79
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1	REAL300000486186	0	29	-2.0	-97.30	310.66	5.54	-91.76
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486187	0	29	-2.0	-97.39	304.48	4.70	-92.69
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(OC)=C1	REAL300000486188	0	39	-2.0	-105.41	358.48	4.78	-100.63
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1	REAL300000486189	0	32	-2.0	-103.68	307.67	5.32	-98.36
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1	REAL300000486190	0	32	-2.0	-99.52	319.72	5.51	-94.01
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1	REAL300000486191	0	32	-2.0	-101.10	313.42	3.37	-97.73
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486192	0	33	-2.0	-110.11	311.57	5.49	-104.62
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000486193	0	32	-2.0	-104.50	320.85	1.68	-102.82
COC(=O)C(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O)C1=CC=CC=C1	REAL300000486194	0	41	-2.0	-121.67	373.02	5.05	-116.62
COC(=O)C(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-])C1=CC=CC=C1	REAL300000486194	1	40	-3.0	-224.26	364.41	7.79	-216.47
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300000486195	0	37	-2.0	-98.98	344.92	5.74	-93.24
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486196	0	38	-2.0	-106.12	329.50	6.42	-99.70
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=CS1	REAL300000486197	0	35	-2.0	-112.64	330.72	5.35	-107.29
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1F	REAL300000486198	0	33	-2.0	-97.04	311.20	3.82	-93.22
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1	REAL300000486199	0	28	-2.0	-110.87	288.18	4.65	-106.22
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CO2)=C1	REAL300000486200	0	26	-2.0	-102.19	258.17	2.48	-99.71
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486201	0	28	-2.0	-93.09	269.89	0.87	-92.22
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=CN=C21	REAL300000486202	0	34	-2.0	-98.96	319.84	3.59	-95.37
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300000486203	0	28	-2.0	-94.60	296.65	4.22	-90.38
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OCC2)=C1	REAL300000486204	0	38	-2.0	-104.03	337.53	5.89	-98.14
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OCC2)=C1	REAL300000486204	1	37	-3.0	-221.61	336.02	6.63	-214.98
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486205	0	37	-2.0	-104.63	342.66	2.66	-101.97
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300000486206	0	33	-2.0	-106.92	303.61	3.93	-102.99
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486207	0	30	-2.0	-100.14	309.40	5.38	-94.76
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000486208	0	32	-2.0	-101.24	319.45	3.55	-97.69
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486209	0	35	-2.0	-102.24	305.70	6.13	-96.11
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486210	0	37	-2.0	-116.82	329.47	4.56	-112.26
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCCCCl)=C1	REAL300000486211	0	31	-2.0	-110.98	305.99	2.20	-108.78
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486212	0	32	-2.0	-108.39	295.09	5.35	-103.04
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1	REAL300000486213	0	33	-2.0	-117.77	313.89	4.54	-113.23
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486214	0	42	-2.0	-103.36	365.68	5.85	-97.51
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=CC=C12	REAL300000486215	0	37	-2.0	-119.98	333.37	5.64	-114.34
CC(C)(C#N)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486216	0	35	-2.0	-114.17	321.86	2.12	-112.05
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486217	0	33	-2.0	-106.62	326.74	1.74	-104.88
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1	REAL300000486218	0	30	-2.0	-111.02	300.26	2.77	-108.25
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486219	0	32	-2.0	-100.60	300.06	1.93	-98.67
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1OC	REAL300000486220	0	39	-2.0	-100.37	357.55	5.17	-95.20
COCCOCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486221	0	43	-2.0	-114.01	390.48	-0.36	-114.37
COCCOCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-]	REAL300000486221	1	42	-3.0	-212.53	381.85	2.61	-209.92
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O)OCO2	REAL300000486222	0	35	-2.0	-100.11	316.98	3.84	-96.27
CCCC(CC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486223	1	37	-2.0	-116.65	322.13	3.05	-113.60
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486224	0	35	-2.0	-102.71	325.93	5.60	-97.11
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486225	0	39	-2.0	-103.40	345.67	4.29	-99.11
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486226	0	38	-2.0	-117.87	344.36	6.54	-111.33
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=C1	REAL300000486227	0	35	-2.0	-110.89	336.69	5.97	-104.92
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CC2=CC=CC(Cl)=C2)=C1	REAL300000486228	0	32	-2.0	-113.53	322.48	3.54	-109.99
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000486229	0	32	-2.0	-107.18	320.45	1.96	-105.22
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000486229	1	31	-3.0	-165.54	317.14	0.84	-164.70
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1F	REAL300000486230	0	36	-2.0	-103.49	336.66	3.48	-100.01
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000486231	0	33	-2.0	-99.89	320.96	4.09	-95.80
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000486232	0	32	-2.0	-93.33	319.81	5.51	-87.82
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000486233	0	34	-2.0	-104.32	332.28	0.06	-104.26
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486234	0	33	-2.0	-109.86	308.36	5.67	-104.19
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486235	0	33	-2.0	-108.13	317.74	5.61	-102.52
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1	REAL300000486236	0	29	-2.0	-98.36	305.35	5.50	-92.86
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486237	0	35	-2.0	-97.20	312.14	6.12	-91.08
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(N)=NO1	REAL300000486238	0	30	-2.0	-95.11	283.04	1.78	-93.33
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=C1	REAL300000486239	0	29	-2.0	-96.71	305.51	5.74	-90.97
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486240	0	33	-2.0	-106.41	320.48	4.65	-101.76
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1	REAL300000486241	0	30	-2.0	-99.64	302.98	3.25	-96.39
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCC2CC3=CC=CC=C3C2)=C1	REAL300000486242	0	42	-2.0	-114.18	370.73	5.61	-108.57
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=NO1	REAL300000486243	0	40	-2.0	-117.39	363.87	3.05	-114.34
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2[O-])=NO1	REAL300000486243	1	39	-3.0	-216.94	355.25	6.03	-210.91
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486244	0	36	-2.0	-105.05	320.46	4.47	-100.58
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1Cl	REAL300000486245	0	36	-2.0	-100.14	336.05	5.07	-95.07
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CCCCC2)=C1	REAL300000486246	1	33	-2.0	-101.79	290.85	4.75	-97.04
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000486247	0	27	-2.0	-95.01	288.00	4.03	-90.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000486248	0	31	-2.0	-101.30	292.09	3.27	-98.03
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1	REAL300000486249	0	34	-2.0	-104.10	316.67	4.82	-99.28
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(F)=C1	REAL300000486250	0	35	-2.0	-103.27	335.74	5.19	-98.08
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1F	REAL300000486251	0	35	-2.0	-98.65	334.80	5.14	-93.51
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1C#N	REAL300000486252	0	33	-2.0	-96.57	315.46	5.35	-91.22
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1	REAL300000486253	0	28	-2.0	-90.42	293.22	3.13	-87.29
COC(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486254	0	32	-2.0	-115.67	298.17	0.25	-115.42
COC(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-]	REAL300000486254	1	31	-3.0	-214.98	289.55	3.12	-211.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(F)=C1	REAL300000486255	0	33	-2.0	-105.97	310.47	3.81	-102.16
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1[N+](=O)[O-]	REAL300000486256	0	37	-2.0	-115.81	336.27	7.38	-108.43
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000486257	0	35	-2.0	-103.53	336.51	6.24	-97.29
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1	REAL300000486258	0	35	-2.0	-103.08	321.23	4.96	-98.12
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1	REAL300000486258	1	34	-3.0	-218.00	319.68	5.69	-212.31
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1	REAL300000486259	0	32	-2.0	-101.49	307.68	5.32	-96.17
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000486260	0	39	-2.0	-107.96	349.69	7.86	-100.10
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)N(C)N=C1	REAL300000486262	0	32	-2.0	-97.23	292.35	2.84	-94.39
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCC2=CC=CC(Cl)=C2)=C1	REAL300000486263	0	35	-2.0	-112.29	343.98	4.33	-107.96
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)O1	REAL300000486264	0	27	-2.0	-96.21	279.41	3.03	-93.18
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CSC=C2)=C1	REAL300000486265	0	26	-2.0	-100.15	266.59	3.37	-96.78
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=COC=C2)=C1	REAL300000486266	0	26	-2.0	-100.41	258.02	2.37	-98.04
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486267	0	40	-2.0	-112.49	358.82	3.85	-108.64
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1C(=O)[O-]	REAL300000486268	0	34	-3.0	-160.40	324.00	5.66	-154.74
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1C(=O)[O-]	REAL300000486268	1	35	-2.0	-100.60	327.48	3.37	-97.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000486269	0	32	-2.0	-97.65	302.66	1.14	-96.51
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1	REAL300000486270	0	29	-2.0	-103.21	297.72	5.03	-98.18
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCCOCC2=CC=CC=C2)=C1	REAL300000486271	0	42	-2.0	-115.75	382.78	3.88	-111.87
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486272	0	40	-2.0	-118.55	360.97	3.43	-115.12
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-]	REAL300000486272	1	39	-3.0	-217.20	352.58	6.31	-210.89
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486273	0	38	-2.0	-105.64	353.02	7.20	-98.44
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486274	0	38	-2.0	-105.17	348.84	6.91	-98.26
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CSC3=CC=CC=C32)=C1	REAL300000486275	0	32	-2.0	-105.77	312.01	5.82	-99.95
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486276	0	41	-2.0	-109.21	374.31	6.81	-102.40
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)N(C)N=C1	REAL300000486277	0	38	-2.0	-104.64	346.59	4.20	-100.44
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1C	REAL300000486278	0	41	-2.0	-101.36	368.17	6.57	-94.79
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=C2O1	REAL300000486279	0	40	-2.0	-115.73	353.21	5.68	-110.05
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1	REAL300000486280	0	32	-2.0	-108.39	302.07	3.10	-105.29
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486281	0	35	-2.0	-96.05	330.04	6.20	-89.85
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486282	0	36	-2.0	-105.62	326.84	4.67	-100.95
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1	REAL300000486283	0	29	-2.0	-104.07	297.82	5.25	-98.82
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486284	0	35	-2.0	-126.31	319.90	1.89	-124.42
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-]	REAL300000486284	1	34	-3.0	-250.05	318.37	2.63	-247.42
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=C2C=C1	REAL300000486285	0	38	-2.0	-106.42	342.78	7.39	-99.03
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1	REAL300000486286	0	26	-2.0	-101.87	283.47	3.94	-97.93
CC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486287	0	29	-2.0	-102.27	289.06	4.14	-98.13
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486288	0	42	-2.0	-107.88	371.47	4.80	-103.08
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CNN=C2Cl)=C1	REAL300000486289	0	26	-2.0	-100.42	273.77	1.29	-99.13
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=C1	REAL300000486290	0	34	-2.0	-111.51	330.01	5.52	-105.99
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1	REAL300000486291	0	28	-2.0	-99.41	282.39	2.56	-96.85
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486292	0	38	-2.0	-98.51	340.02	3.50	-95.01
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000486293	0	38	-2.0	-98.27	344.67	2.99	-95.28
COC1=CC=C2C=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)CCC2=C1	REAL300000486294	1	41	-2.0	-103.86	359.41	6.14	-97.72
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C1	REAL300000486295	0	37	-2.0	-101.96	336.02	5.42	-96.54
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1	REAL300000486296	0	32	-2.0	-100.51	311.66	4.94	-95.57
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486297	0	34	-2.0	-113.37	316.64	3.81	-109.56
CC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486298	0	28	-2.0	-96.92	283.98	2.77	-94.15
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CNC(=O)S2)=C1	REAL300000486299	0	26	-2.0	-97.72	272.32	0.36	-97.36
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)C2=CNC(=O)S2)=C1	REAL300000486299	1	25	-3.0	-202.90	270.81	1.10	-201.80
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000486300	0	33	-2.0	-100.06	323.99	3.03	-97.03
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1	REAL300000486300	1	32	-3.0	-185.42	320.75	3.90	-181.52
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000486301	0	35	-2.0	-98.91	331.40	5.84	-93.07
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1	REAL300000486302	0	33	-2.0	-128.66	306.64	1.61	-127.05
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1	REAL300000486302	1	32	-3.0	-251.59	305.12	2.35	-249.24
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1	REAL300000486303	0	36	-2.0	-103.53	324.71	6.55	-96.98
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000486304	0	26	-2.0	-103.81	273.77	3.54	-100.27
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=CC=C2NC1=O	REAL300000486305	0	38	-2.0	-100.19	346.56	4.19	-96.00
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1	REAL300000486306	0	35	-2.0	-116.63	336.31	2.77	-113.86
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C(F)(F)F)=N1	REAL300000486307	0	32	-2.0	-104.30	314.13	3.27	-101.03
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000486308	0	38	-2.0	-103.35	340.33	6.06	-97.29
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1F	REAL300000486309	0	30	-2.0	-94.32	302.19	4.89	-89.43
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O)C1=CC=CC=C1	REAL300000486310	0	39	-2.0	-116.64	358.46	2.97	-113.67
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-])C1=CC=CC=C1	REAL300000486310	1	38	-3.0	-218.29	348.76	6.22	-212.07
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)CCCCC1	REAL300000486311	0	44	-2.0	-123.46	368.19	3.82	-119.64
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2[O-])CCCCC1	REAL300000486311	1	43	-3.0	-224.15	359.56	6.71	-217.44
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C(F)C=C1[N+](=O)[O-]	REAL300000486312	0	34	-2.0	-96.58	327.85	5.81	-90.77
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486313	0	34	-3.0	-167.36	323.90	5.78	-161.58
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486313	1	35	-2.0	-130.31	331.97	3.69	-126.62
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1	REAL300000486314	0	30	-2.0	-102.96	308.38	3.75	-99.21
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)CC1	REAL300000486315	0	33	-2.0	-120.03	304.14	1.31	-118.72
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2[O-])CC1	REAL300000486315	1	32	-3.0	-222.02	295.54	4.26	-217.76
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486316	0	29	-2.0	-127.18	280.85	0.25	-126.93
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-]	REAL300000486316	1	28	-3.0	-246.70	279.32	0.98	-245.72
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1	REAL300000486317	0	29	-2.0	-95.29	308.07	4.67	-90.62
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=NC=CN2)=C1	REAL300000486318	0	26	-2.0	-103.53	257.10	1.07	-102.46
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1	REAL300000486319	0	34	-2.0	-108.79	312.48	1.41	-107.38
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000486320	0	32	-2.0	-104.66	305.60	5.05	-99.61
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CN=C1C	REAL300000486321	0	37	-2.0	-96.33	341.73	3.79	-92.54
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1	REAL300000486322	0	30	-2.0	-92.99	298.87	3.31	-89.68
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486323	0	31	-2.0	-94.95	303.04	3.79	-91.16
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1C(F)(F)F	REAL300000486324	0	35	-2.0	-96.70	329.91	5.96	-90.74
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486325	0	38	-2.0	-109.48	352.44	5.88	-103.60
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1	REAL300000486326	0	31	-2.0	-94.53	315.25	4.33	-90.20
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)CC1	REAL300000486329	0	38	-2.0	-122.70	351.14	3.13	-119.57
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2[O-])CC1	REAL300000486329	1	37	-3.0	-225.58	340.81	6.50	-219.08
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=NN1C	REAL300000486330	0	32	-2.0	-101.47	296.15	2.69	-98.78
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486331	0	33	-2.0	-104.09	306.59	5.53	-98.56
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486332	0	42	-2.0	-114.49	369.44	5.31	-109.18
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486333	0	32	-2.0	-102.40	298.87	2.80	-99.60
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486334	0	36	-2.0	-101.98	347.30	4.68	-97.30
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486335	0	29	-2.0	-94.71	291.35	3.05	-91.66
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486336	0	37	-2.0	-110.34	330.91	2.24	-108.10
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-]	REAL300000486336	1	36	-3.0	-210.54	322.28	5.12	-205.42
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=C1	REAL300000486337	0	34	-2.0	-101.68	321.93	1.66	-100.02
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCCCF)=C1	REAL300000486338	0	31	-2.0	-110.99	295.43	1.72	-109.27
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1	REAL300000486339	0	29	-2.0	-101.49	291.13	1.93	-99.56
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1	REAL300000486340	0	35	-2.0	-98.64	321.78	4.33	-94.31
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)CCCC1	REAL300000486341	0	41	-2.0	-122.56	355.71	3.52	-119.04
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2[O-])CCCC1	REAL300000486341	1	40	-3.0	-222.60	347.33	6.30	-216.30
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1	REAL300000486342	0	37	-2.0	-95.22	346.63	3.01	-92.21
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000486343	0	36	-2.0	-108.62	331.47	4.20	-104.42
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=C1	REAL300000486344	0	32	-2.0	-99.78	312.70	2.01	-97.77
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1Cl	REAL300000486345	0	33	-2.0	-97.64	321.01	4.30	-93.34
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000486346	0	33	-2.0	-111.78	327.07	1.12	-110.66
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000486347	0	31	-3.0	-180.75	307.59	5.03	-175.72
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1	REAL300000486348	0	26	-2.0	-107.71	274.84	2.45	-105.26
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1	REAL300000486349	0	31	-2.0	-114.54	306.68	3.87	-110.67
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1	REAL300000486350	0	34	-2.0	-106.16	311.31	4.29	-101.87
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=C1	REAL300000486351	0	36	-2.0	-116.31	332.69	4.44	-111.87
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=C1	REAL300000486351	1	35	-3.0	-218.66	324.06	7.40	-211.26
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1	REAL300000486352	0	35	-2.0	-112.07	326.00	6.77	-105.30
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300000486353	0	32	-2.0	-108.14	315.63	3.54	-104.60
CCC1=CC(CC)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(CC)=C1	REAL300000486354	0	47	-2.0	-102.85	380.26	9.16	-93.69
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486355	0	32	-2.0	-105.01	302.61	5.85	-99.16
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000486356	0	33	-2.0	-101.17	319.91	4.46	-96.71
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1	REAL300000486357	0	34	-2.0	-113.56	311.79	4.29	-109.27
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C2=CC=CC(C)=C2S1	REAL300000486358	0	38	-2.0	-105.41	345.39	7.39	-98.02
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O)OC	REAL300000486359	0	35	-2.0	-115.59	316.19	0.65	-114.94
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-])OC	REAL300000486359	1	34	-3.0	-214.19	309.12	3.73	-210.46
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486360	0	42	-2.0	-117.14	371.31	3.71	-113.43
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-]	REAL300000486360	1	41	-3.0	-217.69	362.68	6.57	-211.12
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486361	0	41	-2.0	-115.55	354.16	1.94	-113.61
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-]	REAL300000486361	1	40	-3.0	-215.90	344.33	4.79	-211.11
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCOCC2CC2)=C1	REAL300000486362	0	36	-2.0	-109.46	332.98	1.63	-107.83
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)CCOCC2CC2)=C1	REAL300000486362	1	35	-3.0	-207.31	324.42	4.60	-202.71
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCC2=CC=C(Cl)C=C2)=C1	REAL300000486363	0	35	-2.0	-110.84	343.97	4.33	-106.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(F)=C1	REAL300000486364	0	32	-2.0	-109.93	305.42	5.36	-104.57
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1	REAL300000486365	0	28	-2.0	-96.62	300.53	3.61	-93.01
CN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1Br	REAL300000486366	0	29	-2.0	-98.30	299.06	2.62	-95.68
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=CC=C21	REAL300000486367	0	34	-2.0	-103.67	319.34	2.91	-100.76
CS(=O)(=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O)C1=CC=CC=C1	REAL300000486368	0	36	-2.0	-125.40	337.67	3.07	-122.33
CS(=O)(=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-])C1=CC=CC=C1	REAL300000486368	1	35	-3.0	-245.72	336.15	3.80	-241.92
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000486369	0	34	-3.0	-164.34	328.91	5.68	-158.66
CC1=C(F)C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000486369	1	35	-2.0	-94.27	335.99	3.45	-90.82
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O)C1CC1	REAL300000486370	0	36	-2.0	-115.11	324.22	1.66	-113.45
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-])C1CC1	REAL300000486370	1	35	-3.0	-218.56	315.24	4.88	-213.68
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486371	0	33	-2.0	-106.45	310.15	4.19	-102.26
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=C1	REAL300000486372	0	32	-2.0	-94.58	315.08	3.55	-91.03
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1[N+](=O)[O-]	REAL300000486373	0	37	-2.0	-102.64	337.94	6.28	-96.36
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486374	0	45	-2.0	-111.86	379.92	6.45	-105.41
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O)C1CCOCC1	REAL300000486375	0	43	-2.0	-111.31	363.78	0.76	-110.55
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-])C1CCOCC1	REAL300000486375	1	42	-3.0	-211.17	355.19	3.69	-207.48
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1Cl	REAL300000486376	0	32	-2.0	-94.56	318.74	1.67	-92.89
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486377	0	28	-2.0	-95.01	272.44	2.42	-92.59
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000486378	0	33	-2.0	-99.33	325.56	2.60	-96.73
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CC=C1Cl	REAL300000486379	0	32	-2.0	-98.53	310.95	5.54	-92.99
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1	REAL300000486380	0	35	-2.0	-112.83	323.61	5.43	-107.40
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C([N+](=O)[O-])S1	REAL300000486381	0	31	-2.0	-110.77	310.07	5.44	-105.33
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486382	0	34	-2.0	-116.70	316.08	0.25	-116.45
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-]	REAL300000486382	1	33	-3.0	-234.17	315.49	1.03	-233.14
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1	REAL300000486383	0	32	-2.0	-98.22	317.48	2.65	-95.57
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000486384	0	28	-2.0	-106.69	275.99	2.62	-104.07
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCC2CCCCC2)=C1	REAL300000486385	0	41	-2.0	-113.18	348.03	3.99	-109.19
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCC2CCCC2)=C1	REAL300000486386	0	38	-2.0	-113.14	331.52	3.41	-109.73
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1	REAL300000486387	0	28	-2.0	-94.16	276.90	2.61	-91.55
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCOCC2CCC2)=C1	REAL300000486388	0	39	-2.0	-109.49	349.60	2.16	-107.33
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)CCOCC2CCC2)=C1	REAL300000486388	1	38	-3.0	-207.60	340.98	5.14	-202.46
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=CS1	REAL300000486389	0	27	-2.0	-107.38	285.87	3.85	-103.53
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486390	0	36	-2.0	-108.13	343.25	6.00	-102.13
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O)C(C)C	REAL300000486392	0	38	-2.0	-115.77	332.93	1.27	-114.50
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-])C(C)C	REAL300000486392	1	37	-3.0	-215.92	323.87	4.19	-211.73
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1	REAL300000486393	0	29	-2.0	-95.42	298.08	5.01	-90.41
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1	REAL300000486394	0	38	-2.0	-111.03	337.18	4.70	-106.33
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1	REAL300000486395	0	37	-2.0	-112.95	327.67	5.52	-107.43
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486396	0	39	-2.0	-104.36	348.38	3.36	-101.00
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCC2=CC=C(F)C=C2)=C1	REAL300000486398	0	35	-2.0	-110.99	333.65	3.88	-107.11
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCC2=CC=CC=C2F)=C1	REAL300000486399	0	35	-2.0	-116.53	332.81	3.85	-112.68
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCC2=CC=CC=C2Cl)=C1	REAL300000486400	0	35	-2.0	-115.51	339.92	4.19	-111.32
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486402	0	36	-2.0	-113.36	331.41	1.88	-111.48
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(=O)NC1=O	REAL300000486403	0	32	-2.0	-108.77	303.89	1.02	-107.75
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2[O-])C(=O)NC1=O	REAL300000486403	1	31	-3.0	-216.69	302.37	1.76	-214.93
CC(C)OC1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)CCOC1	REAL300000486404	0	43	-2.0	-118.66	356.82	1.16	-117.50
CC(C)OC1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2[O-])CCOC1	REAL300000486404	1	42	-3.0	-219.03	349.87	4.08	-214.95
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)N(C)N=C1	REAL300000486405	0	35	-2.0	-104.26	324.73	3.27	-100.99
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C	REAL300000486406	0	40	-2.0	-106.28	361.18	3.64	-102.64
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O)C1=CC=C(F)C=C1	REAL300000486407	0	39	-2.0	-124.25	352.44	3.60	-120.65
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-])C1=CC=C(F)C=C1	REAL300000486407	1	38	-3.0	-223.30	343.86	6.37	-216.93
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O)C1CC1	REAL300000486408	0	39	-2.0	-116.38	346.04	2.63	-113.75
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-])C1CC1	REAL300000486408	1	38	-3.0	-217.74	337.42	5.53	-212.21
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)N1C	REAL300000486409	0	32	-2.0	-101.97	294.85	3.40	-98.57
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486410	0	42	-2.0	-106.09	365.52	6.11	-99.98
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O)C1CCCC1	REAL300000486411	0	42	-2.0	-114.88	356.40	2.95	-111.93
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-])C1CCCC1	REAL300000486411	1	41	-3.0	-215.46	347.83	5.84	-209.62
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O)C1CCCCC1	REAL300000486412	0	45	-2.0	-113.30	372.73	3.15	-110.15
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-])C1CCCCC1	REAL300000486412	1	44	-3.0	-215.69	364.27	6.07	-209.62
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1F	REAL300000486413	0	34	-2.0	-108.43	323.29	6.37	-102.06
CCC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CN1CC1CC1	REAL300000486414	0	42	-2.0	-115.11	374.36	6.44	-108.67
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)O1	REAL300000486415	0	35	-2.0	-99.09	332.93	3.86	-95.23
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=C2C1	REAL300000486416	0	40	-2.0	-109.99	360.48	5.01	-104.98
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300000486417	0	32	-2.0	-100.56	315.24	3.98	-96.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=C1[N+](=O)[O-]	REAL300000486418	0	37	-2.0	-100.56	339.16	6.78	-93.78
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486419	0	32	-2.0	-91.48	317.10	3.06	-88.42
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1	REAL300000486420	0	28	-2.0	-99.97	292.84	3.05	-96.92
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000486421	0	39	-2.0	-115.01	341.59	7.83	-107.18
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCC2=C(F)C=CC=C2F)=C1	REAL300000486422	0	35	-2.0	-119.00	337.88	3.88	-115.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(F)=C1F	REAL300000486423	0	32	-2.0	-107.04	307.57	5.22	-101.82
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)OC=C1	REAL300000486424	0	32	-2.0	-109.88	307.62	3.69	-106.19
CCC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C(C)C=C1OC	REAL300000486425	0	42	-2.0	-102.95	362.14	5.96	-96.99
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=N1	REAL300000486426	0	31	-2.0	-115.10	302.56	3.23	-111.87
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=N1	REAL300000486427	0	41	-2.0	-102.16	363.40	5.20	-96.96
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486428	0	30	-3.0	-170.91	300.16	3.15	-167.76
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486429	0	33	-2.0	-102.94	308.28	4.49	-98.45
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C(C)C	REAL300000486430	0	45	-2.0	-103.65	385.44	6.70	-96.95
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1F	REAL300000486431	0	41	-2.0	-100.55	353.71	6.70	-93.85
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486432	0	30	-2.0	-95.05	302.74	4.91	-90.14
CN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1C(F)(F)F	REAL300000486433	0	32	-2.0	-98.86	308.63	3.05	-95.81
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1	REAL300000486434	0	31	-2.0	-103.22	298.76	3.53	-99.69
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1	REAL300000486434	1	31	-2.0	-115.02	298.66	3.67	-111.35
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CNC3=CC=CC=C32)=C1	REAL300000486435	0	33	-2.0	-111.61	309.23	4.44	-107.17
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486436	0	39	-2.0	-100.93	336.48	4.53	-96.40
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C(C)(C)C)=N1	REAL300000486437	0	41	-2.0	-101.43	343.85	5.00	-96.43
CCC(C)(C)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486438	0	40	-2.0	-113.53	336.80	3.00	-110.53
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1	REAL300000486439	0	39	-2.0	-101.79	342.90	4.83	-96.96
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486440	0	32	-2.0	-95.64	309.78	3.26	-92.38
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(Br)=N1	REAL300000486441	0	29	-2.0	-102.52	300.69	2.68	-99.84
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2CC2C2=CC=CC(F)=C2)=C1	REAL300000486442	0	36	-2.0	-114.06	339.09	4.50	-109.56
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)C2CC2C2=CC=CC(F)=C2)=C1	REAL300000486442	1	35	-3.0	-215.70	330.47	7.47	-208.23
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2(COCC3=CC=CC=C3)CC2)=C1	REAL300000486443	0	43	-2.0	-120.93	377.49	5.80	-115.13
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)C2(COCC3=CC=CC=C3)CC2)=C1	REAL300000486443	1	42	-3.0	-222.82	369.91	8.01	-214.81
CS(=O)(=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O)C1CCCCC1	REAL300000486444	0	42	-2.0	-126.57	363.13	3.72	-122.85
CS(=O)(=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1[O-])C1CCCCC1	REAL300000486444	1	41	-3.0	-248.66	361.61	4.45	-244.21
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1	REAL300000486445	0	30	-2.0	-100.68	291.67	2.09	-98.59
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300000486445	1	29	-3.0	-186.64	288.11	2.95	-183.69
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486446	0	39	-2.0	-103.23	352.69	7.23	-96.00
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486447	0	32	-2.0	-115.91	306.50	1.90	-114.01
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486448	0	35	-2.0	-102.22	318.34	3.59	-98.63
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1F	REAL300000486449	0	34	-2.0	-103.85	322.78	5.02	-98.83
NC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000486450	0	29	-2.0	-96.88	280.70	1.81	-95.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C#N)=C1	REAL300000486451	0	33	-2.0	-110.93	314.99	5.38	-105.55
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486452	0	33	-2.0	-110.94	307.26	5.59	-105.35
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000486453	0	32	-2.0	-97.73	312.16	5.35	-92.38
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C=CC2=CC=CC(Cl)=C2)=C1	REAL300000486454	1	33	-2.0	-99.84	324.12	6.17	-93.67
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1CC	REAL300000486455	0	45	-2.0	-102.43	390.03	6.96	-95.47
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486456	0	36	-2.0	-107.08	339.24	6.40	-100.68
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486457	0	35	-2.0	-97.98	322.49	6.55	-91.43
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486458	0	29	-2.0	-94.04	294.74	0.28	-93.76
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)O1	REAL300000486459	0	42	-2.0	-120.42	354.67	2.49	-117.93
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2[O-])O1	REAL300000486459	1	41	-3.0	-223.12	346.05	5.41	-217.71
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000486460	0	25	-2.0	-96.59	262.23	2.18	-94.41
CC(C)(CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O)C1CC1	REAL300000486461	0	41	-2.0	-113.69	346.25	3.76	-109.93
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C=CC2=CC=CC=C2Cl)=C1	REAL300000486462	1	33	-2.0	-103.46	321.64	6.08	-97.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486463	0	35	-3.0	-163.53	332.16	4.70	-158.83
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C(C(N)=O)O1	REAL300000486464	0	33	-2.0	-101.02	314.99	0.07	-100.95
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486465	0	38	-2.0	-102.75	327.22	6.90	-95.85
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1	REAL300000486466	0	29	-2.0	-109.12	290.21	4.55	-104.57
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)CCC2=CC=CC(F)=C2)=C1	REAL300000486467	0	35	-2.0	-112.50	333.66	3.89	-108.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C(Cl)O1	REAL300000486468	0	28	-3.0	-157.80	304.06	4.01	-153.79
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1	REAL300000486469	0	34	-2.0	-113.04	311.73	4.95	-108.09
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486470	0	36	-2.0	-105.58	336.90	4.64	-100.94
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1F	REAL300000486471	0	30	-2.0	-106.96	301.29	4.86	-102.10
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)N=N1	REAL300000486472	0	28	-2.0	-104.72	274.28	0.81	-103.91
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486473	0	32	-2.0	-94.99	330.04	3.76	-91.23
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1	REAL300000486474	0	36	-2.0	-101.84	325.39	4.16	-97.68
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1	REAL300000486475	0	36	-2.0	-98.62	322.78	4.30	-94.32
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1	REAL300000486476	0	39	-2.0	-99.01	344.89	5.03	-93.98
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300000486477	0	29	-3.0	-182.73	314.45	3.94	-178.79
O=C([O-])C1=CC(F)=C(O)C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300000486477	1	30	-2.0	-96.73	319.52	1.86	-94.87
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=NN2C1	REAL300000486478	0	40	-2.0	-108.90	350.53	2.51	-106.39
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000486479	0	35	-2.0	-102.95	342.33	5.38	-97.57
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000486480	0	35	-2.0	-101.38	326.21	1.68	-99.70
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1	REAL300000486481	0	26	-2.0	-101.51	276.15	3.18	-98.33
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1F	REAL300000486482	0	33	-2.0	-93.91	321.36	3.99	-89.92
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1	REAL300000486483	0	36	-2.0	-103.36	318.38	4.52	-98.84
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1F	REAL300000486484	0	33	-2.0	-101.23	316.67	3.88	-97.35
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C	REAL300000486485	0	45	-2.0	-105.18	379.04	6.46	-98.72
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486486	0	39	-2.0	-108.18	349.92	5.73	-102.45
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486487	0	32	-2.0	-100.06	298.38	5.06	-95.00
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=C2O1	REAL300000486488	0	37	-2.0	-114.71	332.89	5.06	-109.65
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000486489	0	37	-2.0	-100.64	344.17	4.14	-96.50
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=C2)CC1	REAL300000486490	0	37	-2.0	-106.82	343.73	6.66	-100.16
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486491	0	33	-2.0	-106.64	311.94	4.87	-101.77
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CSC=C2Cl)=C1	REAL300000486492	0	26	-2.0	-101.33	280.92	3.90	-97.43
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486493	0	29	-2.0	-93.01	297.44	2.56	-90.45
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1	REAL300000486494	0	31	-2.0	-94.30	309.39	3.60	-90.70
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486495	0	34	-2.0	-117.30	316.17	4.04	-113.26
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486496	0	31	-2.0	-92.00	290.72	1.76	-90.24
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1	REAL300000486498	0	30	-2.0	-93.07	290.36	3.25	-89.82
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1	REAL300000486499	0	32	-2.0	-105.63	314.32	5.92	-99.71
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1	REAL300000486500	0	32	-2.0	-117.19	320.39	4.19	-113.00
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486501	0	36	-2.0	-98.15	327.43	4.16	-93.99
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=C1F	REAL300000486502	0	38	-2.0	-101.13	331.40	6.71	-94.42
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1OC	REAL300000486503	0	37	-2.0	-107.65	331.27	4.26	-103.39
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000486504	0	38	-2.0	-107.51	343.80	1.67	-105.84
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=COC3=CC=CC=C32)=C1	REAL300000486505	0	32	-2.0	-106.55	305.26	4.77	-101.78
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1OC	REAL300000486506	0	37	-2.0	-111.87	334.97	4.52	-107.35
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C2CCCC2)=N1	REAL300000486507	0	42	-2.0	-106.04	364.24	5.36	-100.68
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C2=CC=CC=C2S1	REAL300000486508	0	33	-2.0	-107.17	326.34	6.32	-100.85
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C2CC2)=N1	REAL300000486509	0	36	-2.0	-104.81	330.74	4.39	-100.42
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1	REAL300000486510	0	33	-2.0	-103.36	314.74	4.03	-99.33
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1	REAL300000486511	0	32	-2.0	-110.75	304.92	3.49	-107.26
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C=CC=C21	REAL300000486512	0	34	-2.0	-121.82	320.03	2.87	-118.95
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=C21	REAL300000486513	0	36	-2.0	-104.95	316.17	6.36	-98.59
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CN=C1N	REAL300000486514	0	33	-2.0	-103.16	303.50	2.16	-101.00
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486515	0	29	-2.0	-101.69	292.78	0.30	-101.39
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)N=CN1	REAL300000486516	0	29	-2.0	-111.30	274.60	2.54	-108.76
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1	REAL300000486518	0	32	-2.0	-102.02	309.16	4.83	-97.19
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C2CCC2)=N1	REAL300000486519	0	39	-2.0	-105.32	347.01	4.86	-100.46
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486520	0	47	-2.0	-107.13	389.72	8.34	-98.79
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1	REAL300000486521	0	26	-2.0	-100.67	281.29	3.99	-96.68
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1	REAL300000486522	0	39	-2.0	-101.80	349.48	5.12	-96.68
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1	REAL300000486523	0	33	-2.0	-107.72	313.61	5.57	-102.15
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486524	0	42	-2.0	-112.06	365.30	2.85	-109.21
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C2=NC=CC=C2C=C1	REAL300000486525	0	38	-2.0	-127.41	340.91	5.43	-121.98
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486526	0	38	-2.0	-104.87	339.87	6.66	-98.21
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486527	0	35	-2.0	-96.69	331.76	2.77	-93.92
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486528	0	30	-2.0	-106.23	299.99	4.78	-101.45
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486529	0	36	-2.0	-101.80	321.18	3.97	-97.83
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486531	0	35	-2.0	-103.72	305.62	6.03	-97.69
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486532	0	38	-2.0	-96.11	322.52	4.27	-91.84
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000486533	0	38	-2.0	-102.04	339.98	4.20	-97.84
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1	REAL300000486534	0	36	-2.0	-102.42	324.07	3.55	-98.87
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=CN=C1C(F)(F)F	REAL300000486535	0	34	-2.0	-94.05	326.41	4.27	-89.78
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000486536	0	40	-2.0	-101.29	349.75	5.27	-96.02
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=C1	REAL300000486537	0	31	-2.0	-88.26	314.51	5.19	-83.07
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=C1	REAL300000486538	0	32	-2.0	-94.56	320.64	5.52	-89.04
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1	REAL300000486539	0	32	-2.0	-102.96	303.49	5.26	-97.70
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1	REAL300000486540	0	29	-2.0	-102.17	297.05	4.79	-97.38
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1	REAL300000486541	0	29	-2.0	-95.84	307.21	4.58	-91.26
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486542	0	32	-2.0	-97.32	297.67	2.66	-94.66
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1C	REAL300000486544	0	35	-2.0	-104.35	307.98	5.72	-98.63
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1	REAL300000486545	0	32	-2.0	-112.46	296.49	5.69	-106.77
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486546	0	40	-2.0	-112.52	360.07	6.48	-106.04
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3CCC2)=C1	REAL300000486547	1	40	-2.0	-106.23	344.17	7.50	-98.73
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=CC=C21	REAL300000486548	0	39	-2.0	-106.35	355.73	6.13	-100.22
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)=C1	REAL300000486549	0	35	-2.0	-99.10	337.96	5.48	-93.62
O=C([O-])C1=CC(F)=C([O-])C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)=C1	REAL300000486549	1	34	-3.0	-212.40	336.43	6.21	-206.19
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486550	0	38	-2.0	-104.25	353.92	6.10	-98.15
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1Cl	REAL300000486551	0	30	-2.0	-103.88	308.11	5.27	-98.61
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1	REAL300000486552	0	29	-2.0	-103.83	295.48	4.66	-99.17
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1	REAL300000486553	0	36	-2.0	-104.95	324.71	6.55	-98.40
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=CS1	REAL300000486554	0	30	-2.0	-107.02	297.75	2.90	-104.12
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=C1	REAL300000486555	0	32	-2.0	-101.74	307.77	5.84	-95.90
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486556	0	35	-2.0	-98.85	340.46	4.79	-94.06
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1	REAL300000486557	0	36	-2.0	-107.10	330.21	6.61	-100.49
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1	REAL300000486558	0	39	-2.0	-99.00	340.24	5.03	-93.97
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486559	0	38	-2.0	-98.13	335.42	4.31	-93.82
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486560	0	38	-2.0	-109.22	346.69	1.96	-107.26
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486562	0	32	-2.0	-110.13	329.43	0.97	-109.16
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)C2=N1	REAL300000486563	0	34	-2.0	-113.86	319.09	2.83	-111.03
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)O1	REAL300000486564	0	32	-2.0	-103.32	301.56	4.09	-99.23
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1	REAL300000486565	0	29	-2.0	-96.81	299.33	3.71	-93.10
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486566	0	33	-2.0	-99.52	316.42	4.25	-95.27
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C2CCOCC2)=N1	REAL300000486567	0	43	-2.0	-104.08	373.82	3.60	-100.48
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486568	0	35	-2.0	-103.47	328.70	5.98	-97.49
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300000486569	0	33	-2.0	-103.01	314.75	4.03	-98.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)S1	REAL300000486571	0	30	-2.0	-100.40	299.28	2.93	-97.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C2=NC=CC=C12	REAL300000486572	0	40	-2.0	-119.77	346.93	6.68	-113.09
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300000486574	0	32	-2.0	-99.27	308.16	3.18	-96.09
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486575	0	39	-2.0	-105.54	352.41	5.14	-100.40
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1Cl	REAL300000486576	0	32	-2.0	-99.75	327.16	3.86	-95.89
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486577	0	39	-2.0	-100.08	355.16	5.64	-94.44
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1	REAL300000486578	0	42	-2.0	-101.45	361.88	5.43	-96.02
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1	REAL300000486579	0	32	-2.0	-106.71	297.18	5.32	-101.39
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486580	0	41	-2.0	-108.80	362.38	7.00	-101.80
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=C3C=CC=CN32)=C1	REAL300000486581	0	32	-2.0	-108.54	302.49	4.82	-103.72
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1	REAL300000486582	0	31	-2.0	-104.72	306.43	3.85	-100.87
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=N1	REAL300000486583	0	31	-2.0	-101.53	296.20	1.35	-100.18
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1Cl	REAL300000486584	0	32	-2.0	-98.99	317.16	3.40	-95.59
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=C1	REAL300000486585	0	31	-2.0	-98.77	316.50	3.72	-95.05
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1	REAL300000486586	0	26	-2.0	-97.74	275.22	3.10	-94.64
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=C1	REAL300000486587	0	34	-2.0	-112.78	328.69	5.40	-107.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C2=CC=CC=C12	REAL300000486588	0	38	-2.0	-112.91	334.25	7.28	-105.63
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=C1	REAL300000486589	0	36	-2.0	-104.24	333.42	4.82	-99.42
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1	REAL300000486590	0	29	-2.0	-99.32	303.00	5.06	-94.26
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)O1	REAL300000486591	0	35	-2.0	-114.11	339.10	0.78	-113.33
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C2=CC=CC=C2)=N1	REAL300000486592	0	39	-2.0	-107.57	352.91	5.89	-101.68
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C=CC2=CC=C(F)C=C2)=C1	REAL300000486593	1	33	-2.0	-98.89	313.81	5.72	-93.17
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1	REAL300000486594	0	33	-2.0	-103.56	319.31	5.79	-97.77
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1[N+](=O)[O-]	REAL300000486595	0	32	-2.0	-93.84	320.94	5.27	-88.57
COC1=CC=C(C=C(C)S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486596	1	40	-2.0	-102.05	353.12	5.55	-96.50
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Br)C=NS2)=C1	REAL300000486597	0	25	-2.0	-93.81	279.41	2.86	-90.95
CC1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486598	0	29	-2.0	-102.60	280.07	3.15	-99.45
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1	REAL300000486599	0	39	-2.0	-103.32	362.15	6.34	-96.98
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=NN1	REAL300000486600	0	35	-2.0	-101.76	335.85	2.28	-99.48
COC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1OC	REAL300000486601	0	34	-2.0	-103.65	328.49	2.47	-101.18
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1	REAL300000486602	0	29	-3.0	-158.03	312.07	3.46	-154.57
O=C([O-])C1=CC(F)=C(O)C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1	REAL300000486602	1	30	-2.0	-100.80	318.10	0.89	-99.91
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1	REAL300000486603	0	28	-2.0	-90.16	293.11	3.09	-87.07
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=C1	REAL300000486604	0	33	-2.0	-102.70	320.96	4.09	-98.61
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486605	0	35	-2.0	-102.43	319.91	4.36	-98.07
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(F)=C3O)=CC=C21	REAL300000486606	0	36	-2.0	-110.11	329.21	6.23	-103.88
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=C1	REAL300000486607	0	32	-2.0	-105.09	306.17	5.78	-99.31
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1	REAL300000486608	0	26	-2.0	-92.88	300.55	4.57	-88.31
CN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1Cl	REAL300000486609	0	29	-2.0	-98.77	295.35	2.53	-96.24
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000486610	0	34	-2.0	-101.55	326.95	5.09	-96.46
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486611	0	35	-2.0	-115.16	313.34	6.22	-108.94
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)OC=C1	REAL300000486612	0	27	-2.0	-102.21	279.64	2.93	-99.28
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486613	0	31	-2.0	-94.42	303.24	3.80	-90.62
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486614	0	40	-2.0	-106.38	359.12	6.07	-100.31
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C2CC2)=N1	REAL300000486615	0	39	-2.0	-104.99	352.28	5.25	-99.74
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C2=NSN=C2C=C1	REAL300000486616	0	33	-2.0	-109.55	313.73	3.74	-105.81
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=C1	REAL300000486617	0	35	-2.0	-101.83	338.13	7.23	-94.60
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(=O)NC(=O)N1	REAL300000486618	0	32	-2.0	-108.43	298.55	-0.02	-108.45
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2[O-])C(=O)NC(=O)N1	REAL300000486618	1	31	-3.0	-216.02	297.03	0.71	-215.31
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486620	0	42	-2.0	-100.02	362.18	5.63	-94.39
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300000486621	0	26	-2.0	-100.04	274.26	2.98	-97.06
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1	REAL300000486622	0	26	-2.0	-97.36	284.29	3.99	-93.37
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486623	0	43	-2.0	-110.94	380.32	4.63	-106.31
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300000486624	0	35	-2.0	-107.58	334.34	7.26	-100.32
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486625	0	37	-2.0	-99.25	327.77	2.17	-97.08
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1	REAL300000486626	0	36	-2.0	-107.03	319.03	6.58	-100.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C)=N1	REAL300000486630	0	35	-2.0	-97.35	318.33	1.84	-95.51
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486631	0	35	-2.0	-107.93	322.90	2.17	-105.76
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486632	0	32	-2.0	-101.76	318.21	2.01	-99.75
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C	REAL300000486633	0	35	-2.0	-98.41	322.80	1.87	-96.54
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=N1	REAL300000486634	0	38	-2.0	-101.65	342.88	4.59	-97.06
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486635	0	38	-2.0	-102.70	339.09	4.19	-98.51
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1	REAL300000486636	0	28	-2.0	-99.51	302.81	2.46	-97.05
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=CO1	REAL300000486637	0	27	-2.0	-104.08	278.45	2.88	-101.20
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)SC=C1	REAL300000486638	0	27	-2.0	-103.34	287.54	3.83	-99.51
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486639	0	35	-2.0	-97.63	317.19	3.68	-93.95
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C1C	REAL300000486640	0	37	-2.0	-96.20	342.26	3.82	-92.38
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000486641	0	38	-3.0	-165.53	350.10	6.89	-158.64
O=C([O-])C1=CC(F)=C(O)C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000486641	1	39	-2.0	-98.86	357.21	4.68	-94.18
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486642	0	32	-2.0	-109.65	317.34	6.06	-103.59
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1	REAL300000486643	0	36	-2.0	-97.50	327.70	4.54	-92.96
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300000486644	0	36	-2.0	-103.51	327.43	5.63	-97.88
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486645	0	32	-2.0	-111.80	313.68	-1.39	-113.19
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2[O-])=C1	REAL300000486645	1	31	-3.0	-206.69	305.06	1.58	-205.11
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=NN1C(C)C	REAL300000486646	0	38	-2.0	-102.03	338.57	4.26	-97.77
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000486647	0	36	-2.0	-104.20	335.34	6.64	-97.56
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1	REAL300000486648	0	31	-2.0	-99.22	302.83	3.48	-95.74
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=C1	REAL300000486649	0	29	-2.0	-102.54	314.13	0.67	-101.87
CC(C)C1CC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C1	REAL300000486650	0	41	-2.0	-115.40	352.54	3.95	-111.45
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000486651	0	36	-2.0	-105.60	336.99	6.68	-98.92
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1	REAL300000486652	0	33	-2.0	-106.29	325.94	4.94	-101.35
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000486653	0	38	-3.0	-173.29	348.03	6.88	-166.41
O=C([O-])C1=CC(F)=C(O)C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000486653	1	39	-2.0	-113.30	356.55	4.68	-108.62
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300000486654	0	30	-2.0	-104.13	286.51	1.59	-102.54
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486655	0	38	-2.0	-107.72	340.51	6.08	-101.64
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1	REAL300000486656	0	32	-2.0	-112.06	315.16	5.44	-106.62
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000486657	0	25	-2.0	-94.49	261.14	2.06	-92.43
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000486658	0	33	-2.0	-114.75	323.37	3.76	-110.99
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1	REAL300000486659	0	36	-2.0	-111.19	331.30	6.71	-104.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(Cl)=C1Cl	REAL300000486660	0	32	-2.0	-103.33	322.54	6.03	-97.30
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=C1	REAL300000486661	0	36	-2.0	-104.01	343.39	5.54	-98.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C(C(F)F)=C1	REAL300000486662	0	36	-2.0	-100.84	332.75	4.74	-96.10
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486663	0	34	-2.0	-111.02	316.28	3.82	-107.20
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(F)=C1O	REAL300000486664	0	35	-2.0	-119.86	324.84	5.75	-114.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C2=NC=CC=C12	REAL300000486665	0	37	-2.0	-120.39	333.19	5.62	-114.77
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C(C(=O)[O-])O1	REAL300000486666	0	34	-3.0	-163.04	326.07	5.00	-158.04
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486667	0	42	-2.0	-113.05	364.93	6.34	-106.71
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)C=C(Cl)S1	REAL300000486668	0	29	-2.0	-96.20	302.04	4.84	-91.36
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000486669	0	25	-2.0	-98.77	262.08	1.59	-97.18
O=C([O-])C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1	REAL300000486670	0	36	-2.0	-103.29	321.20	3.81	-99.48
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2O)=C1	REAL300000486671	0	32	-2.0	-108.59	302.40	5.16	-103.43
O=C([O-])C1=CC(S(=O)(=O)NN=C2NC3=CC=NC=C3S2)=CC(C(=O)[O-])=C1	REAL300000486693	0	34	-2.0	-111.83	343.89	4.03	-107.80
O=C([O-])C1=CC(S(=O)(=O)NNC2=NC3=CC=NC=C3S2)=CC(C(=O)[O-])=C1	REAL300000486693	1	34	-2.0	-108.96	345.13	3.70	-105.26
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NN=C2NC3=CC=NC=C3S2)=C1	REAL300000486711	0	32	-2.0	-109.67	317.37	2.42	-107.25
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NNC2=NC3=CC=NC=C3S2)=C1	REAL300000486711	1	32	-2.0	-101.93	315.82	2.14	-99.79
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]N=C2NC3=CC=NC=C3S2)=C1	REAL300000486718	0	31	-2.0	-98.69	325.29	3.87	-94.82
O=C([O-])C1=CC(S(=O)(=O)[N-]N=C2NC3=CC=NC=C3S2)=C(Cl)O1	REAL300000486736	1	28	-2.0	-97.42	313.69	2.71	-94.71
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2O1	REAL300000486740	0	42	-2.0	-114.26	360.45	6.94	-107.32
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2O1	REAL300000486741	0	42	-2.0	-103.93	355.88	6.92	-97.01
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2O1	REAL300000486742	0	42	-2.0	-117.52	355.91	6.91	-110.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000486743	0	46	-2.0	-122.77	384.06	6.71	-116.06
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2O1	REAL300000486744	0	46	-2.0	-102.77	387.34	8.20	-94.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000486745	0	45	-2.0	-120.28	375.99	7.56	-112.72
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C2O1	REAL300000486746	0	42	-2.0	-112.20	368.98	7.48	-104.72
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2O1	REAL300000486747	0	42	-2.0	-112.92	368.42	7.30	-105.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=C1C	REAL300000486748	0	48	-2.0	-119.45	389.03	8.24	-111.21
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2O1	REAL300000486749	0	42	-2.0	-114.62	361.39	6.98	-107.64
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2O1	REAL300000486750	0	48	-2.0	-102.36	399.46	8.49	-93.87
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2O1	REAL300000486751	0	39	-2.0	-111.35	349.10	5.93	-105.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000486752	0	45	-2.0	-117.44	371.36	7.69	-109.75
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2O1	REAL300000486753	0	46	-2.0	-101.50	386.96	7.18	-94.32
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000486754	0	43	-2.0	-115.72	362.57	6.27	-109.45
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000486755	0	46	-2.0	-117.49	380.12	5.72	-111.77
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=C1	REAL300000486756	0	42	-2.0	-107.30	365.03	6.60	-100.70
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000486757	0	48	-2.0	-118.89	387.38	8.23	-110.66
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2O1	REAL300000486758	0	39	-2.0	-112.70	347.56	5.94	-106.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000486759	0	46	-2.0	-123.23	383.21	6.98	-116.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000486760	0	48	-2.0	-114.72	386.05	8.64	-106.08
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C(C(=O)[O-])O1	REAL300000486761	0	42	-2.0	-110.13	358.92	6.05	-104.08
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=C1	REAL300000486762	0	46	-2.0	-118.00	384.89	6.00	-112.00
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000486763	0	45	-2.0	-107.68	376.63	7.73	-99.95
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C(C(=O)[O-])S1	REAL300000486764	0	42	-2.0	-113.53	365.62	6.80	-106.73
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2O1	REAL300000486765	0	42	-2.0	-101.08	368.97	7.47	-93.61
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2O1	REAL300000486766	0	42	-2.0	-103.12	360.43	6.95	-96.17
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2O1	REAL300000486767	0	39	-2.0	-105.94	348.19	6.04	-99.90
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2O1	REAL300000486768	0	42	-2.0	-107.86	362.30	6.98	-100.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=C1F	REAL300000486769	0	45	-2.0	-116.28	381.67	7.61	-108.67
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2O1	REAL300000486770	0	42	-2.0	-103.72	361.38	6.98	-96.74
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2O1	REAL300000486771	0	42	-2.0	-101.35	368.40	7.31	-94.04
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C2O1	REAL300000486772	0	42	-2.0	-105.57	366.70	7.00	-98.57
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2O1	REAL300000486773	0	43	-2.0	-115.95	365.63	4.62	-111.33
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2O1	REAL300000486774	0	45	-2.0	-109.02	378.06	7.68	-101.34
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000486775	0	45	-2.0	-113.48	365.95	7.55	-105.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=CC(C(=O)[O-])=C1F	REAL300000486776	0	45	-2.0	-115.85	380.72	7.56	-108.29
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000486777	0	45	-2.0	-103.62	371.34	7.69	-95.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=CC(C(=O)[O-])=C1C	REAL300000486778	0	48	-2.0	-121.01	389.35	7.99	-113.02
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2O1	REAL300000486779	0	42	-2.0	-106.05	367.66	7.04	-99.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C(C)=C1C(=O)[O-]	REAL300000486780	0	48	-2.0	-118.08	389.45	8.31	-109.77
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000486781	0	45	-2.0	-116.05	377.39	7.51	-108.54
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=C1	REAL300000486782	0	45	-2.0	-123.15	380.94	7.60	-115.55
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000486783	0	48	-2.0	-119.56	390.24	8.10	-111.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000486784	0	46	-2.0	-117.07	383.94	7.12	-109.95
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)=CC=C1C(=O)[O-]	REAL300000486785	0	45	-2.0	-104.22	371.92	7.46	-96.76
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000486786	0	45	-2.0	-114.18	375.86	7.73	-106.45
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2O1	REAL300000486787	0	42	-2.0	-122.21	359.56	6.94	-115.27
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C1C(=O)[O-]	REAL300000486788	0	45	-2.0	-109.00	377.05	7.48	-101.52
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2O1	REAL300000486789	0	41	-2.0	-115.45	352.13	5.02	-110.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2	REAL300000486790	0	46	-2.0	-108.42	384.13	6.71	-101.71
CC1(C)CCC2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2O1	REAL300000486791	0	39	-2.0	-104.17	356.02	5.90	-98.27
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3)C=C(C(=O)[O-])O1	REAL300000486792	0	45	-2.0	-109.52	378.04	6.90	-102.62
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000486793	1	40	-2.0	-92.19	360.21	7.88	-84.31
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000486794	0	40	-2.0	-104.26	360.23	7.85	-96.41
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000486795	1	43	-2.0	-105.30	376.30	8.39	-96.91
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=CC=C12	REAL300000486796	0	37	-2.0	-98.69	353.41	6.89	-91.80
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C2=CC=CC=C12	REAL300000486797	0	43	-2.0	-105.32	375.65	8.65	-96.67
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000486798	0	41	-2.0	-102.53	366.87	7.22	-95.31
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000486799	0	37	-2.0	-100.14	351.88	6.91	-93.23
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000486800	0	40	-2.0	-98.40	363.25	7.01	-91.39
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=CC=C12	REAL300000486801	0	37	-2.0	-93.78	352.48	6.99	-86.79
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000486802	0	43	-2.0	-95.85	382.40	8.64	-87.21
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C2=CC=CC=C12	REAL300000486803	0	43	-2.0	-100.43	370.28	8.49	-91.94
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C2=CC=CC=C12	REAL300000486804	1	43	-2.0	-92.41	375.63	8.64	-83.77
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C2=CC=CC=C12	REAL300000486805	1	43	-2.0	-92.28	376.29	8.42	-83.86
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=CC=C12	REAL300000486806	0	39	-2.0	-101.48	357.20	5.93	-95.55
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC=C(Br)C=C32)=C1	REAL300000486824	0	33	-2.0	-109.97	312.78	6.27	-103.70
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=CS1	REAL300000486831	0	35	-2.0	-86.48	334.48	3.32	-83.16
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CS1	REAL300000486832	1	28	-2.0	-102.86	282.54	4.77	-98.09
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)SC=C1	REAL300000486833	0	36	-2.0	-103.79	337.63	5.83	-97.96
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=CS1	REAL300000486834	0	28	-2.0	-100.31	294.43	5.46	-94.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)SC=C1	REAL300000486835	0	32	-2.0	-110.60	306.15	4.55	-106.05
CC1=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=CS1	REAL300000486836	1	28	-2.0	-100.75	294.25	5.23	-95.52
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=CS1	REAL300000486837	1	32	-2.0	-92.50	309.46	6.03	-86.47
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=CS1	REAL300000486838	1	31	-2.0	-106.40	294.02	5.27	-101.13
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=CS1	REAL300000486839	0	28	-2.0	-100.92	291.08	5.30	-95.62
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CS1	REAL300000486840	1	28	-2.0	-101.25	290.51	5.13	-96.12
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=CS1	REAL300000486841	0	28	-2.0	-96.60	303.57	5.68	-90.92
CC1=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)C=CS1	REAL300000486842	1	34	-2.0	-108.01	310.40	6.05	-101.96
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CS1	REAL300000486843	0	28	-2.0	-102.71	283.47	4.80	-97.91
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=CS1	REAL300000486844	1	34	-2.0	-91.77	321.58	6.33	-85.44
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CS1	REAL300000486845	0	25	-2.0	-99.83	271.19	3.76	-96.07
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=CS1	REAL300000486846	1	31	-2.0	-106.13	293.44	5.52	-100.61
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=CS1	REAL300000486847	1	32	-2.0	-91.18	309.08	5.02	-86.16
CC1=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C=CS1	REAL300000486848	1	39	-2.0	-87.71	354.84	5.80	-81.91
CC1=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=CS1	REAL300000486849	0	25	-2.0	-96.57	288.22	4.52	-92.05
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CS1	REAL300000486850	0	29	-2.0	-103.89	284.65	4.09	-99.80
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=CS1	REAL300000486851	1	32	-2.0	-106.45	302.21	3.56	-102.89
CC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)C=CS1	REAL300000486852	0	28	-2.0	-101.37	302.94	5.38	-95.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)SC=C2)=C1	REAL300000486853	0	28	-2.0	-95.94	287.11	4.43	-91.51
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)C=CS1	REAL300000486854	1	34	-2.0	-108.66	313.45	6.16	-102.50
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CS1	REAL300000486855	0	25	-2.0	-101.18	269.66	3.78	-97.40
COC1=CC(S(=O)(=O)[N-]C2=C(C)SC=C2)=CC(C(=O)[O-])=C1OC	REAL300000486856	1	36	-2.0	-105.93	336.31	4.56	-101.37
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC=C2)C=C1C(=O)[O-]	REAL300000486857	1	32	-2.0	-111.24	305.29	4.80	-106.44
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=CS1	REAL300000486858	1	38	-2.0	-110.03	333.24	7.39	-102.64
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=CS1	REAL300000486859	1	37	-2.0	-108.24	331.91	6.76	-101.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)SC=C1	REAL300000486860	1	34	-2.0	-104.37	308.15	6.46	-97.91
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)SC=C1	REAL300000486861	0	35	-2.0	-111.20	328.44	5.31	-105.89
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CS1	REAL300000486862	0	31	-2.0	-107.03	306.05	5.32	-101.71
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CS1	REAL300000486862	1	30	-3.0	-180.39	306.41	5.31	-175.08
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=CS1	REAL300000486863	1	35	-2.0	-110.37	322.25	6.63	-103.74
CC1=C(S(=O)(=O)[N-]C2=C(C)SC=C2)C=C(C(=O)[O-])O1	REAL300000486864	0	28	-2.0	-99.49	281.01	3.88	-95.61
CC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=CS1	REAL300000486865	1	34	-2.0	-110.20	320.18	4.51	-105.69
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=CS1	REAL300000486866	0	32	-2.0	-106.37	306.92	3.84	-102.53
CC1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=CS1	REAL300000486867	1	36	-2.0	-91.81	330.92	5.34	-86.47
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=CS1	REAL300000486868	0	28	-2.0	-95.11	305.68	5.60	-89.51
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=CS1	REAL300000486869	0	28	-2.0	-97.72	295.61	5.32	-92.40
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=CS1	REAL300000486870	1	32	-2.0	-89.74	325.10	5.55	-84.19
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=CS1	REAL300000486871	1	35	-2.0	-91.67	329.16	5.73	-85.94
CC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=CS1	REAL300000486872	1	38	-2.0	-90.51	357.75	5.99	-84.52
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=CS1	REAL300000486873	0	31	-2.0	-96.73	298.71	5.55	-91.18
CC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)C=CS1	REAL300000486874	1	41	-2.0	-91.72	371.61	6.66	-85.06
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=CS1	REAL300000486875	1	32	-2.0	-90.70	315.30	5.07	-85.63
CC1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)C=CS1	REAL300000486876	1	38	-2.0	-90.17	367.56	6.47	-83.70
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC=C2)C=C1C(=O)[O-]	REAL300000486877	1	35	-2.0	-111.91	327.14	5.71	-106.20
CC1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=CS1	REAL300000486878	0	28	-2.0	-102.85	286.64	4.64	-98.21
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=CS1	REAL300000486879	0	28	-2.0	-94.79	306.22	5.76	-89.03
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=CS1	REAL300000486880	0	28	-2.0	-90.43	291.06	5.30	-85.13
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=CS1	REAL300000486881	0	28	-2.0	-89.89	294.41	5.45	-84.44
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CS1	REAL300000486882	0	28	-2.0	-92.53	282.53	4.78	-87.75
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CS1	REAL300000486883	0	25	-2.0	-94.77	270.26	3.88	-90.89
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CS1	REAL300000486884	0	28	-2.0	-96.30	284.41	4.80	-91.50
CC1=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C=CS1	REAL300000486885	0	31	-2.0	-103.95	303.76	5.44	-98.51
COC1=CC(S(=O)(=O)[N-]C2=C(C)SC=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000486886	0	32	-2.0	-95.09	318.32	5.37	-89.72
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CS1	REAL300000486887	0	28	-2.0	-92.39	283.45	4.81	-87.58
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CS1	REAL300000486888	1	28	-2.0	-90.58	290.50	5.14	-85.44
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=CS1	REAL300000486889	0	31	-2.0	-98.46	307.45	5.94	-92.52
CC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)C=CS1	REAL300000486890	1	31	-2.0	-95.19	308.83	6.04	-89.15
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=CS1	REAL300000486891	0	36	-2.0	-89.28	341.75	6.15	-83.13
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=CS1	REAL300000486892	1	28	-2.0	-90.16	294.24	5.23	-84.93
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=CS1	REAL300000486893	0	28	-2.0	-94.59	288.83	4.84	-89.75
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=CS1	REAL300000486894	0	30	-2.0	-90.42	306.19	5.40	-85.02
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CS1	REAL300000486895	0	29	-2.0	-105.21	287.72	2.45	-102.76
CC1=C([N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)C=CS1	REAL300000486896	1	31	-2.0	-99.20	311.89	5.80	-93.40
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CS1	REAL300000486897	1	31	-2.0	-96.50	300.18	5.52	-90.98
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=CS1	REAL300000486898	1	28	-2.0	-96.05	298.71	5.28	-90.77
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=CS1	REAL300000486899	1	31	-2.0	-101.39	288.04	5.38	-96.01
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)C=CS1	REAL300000486900	1	31	-2.0	-99.04	311.47	6.03	-93.01
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)C=CS1	REAL300000486901	1	31	-2.0	-104.17	302.84	5.40	-98.77
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=CS1	REAL300000486902	1	31	-2.0	-93.09	293.41	5.51	-87.58
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)C=CS1	REAL300000486903	1	34	-2.0	-109.73	315.50	5.94	-103.79
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=CS1	REAL300000486904	0	30	-2.0	-103.52	304.58	5.83	-97.69
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CS1	REAL300000486905	0	28	-2.0	-94.41	289.76	4.86	-89.55
CC1=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=CS1	REAL300000486906	0	25	-2.0	-92.67	290.58	4.44	-88.23
CC1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=CS1	REAL300000486907	1	34	-2.0	-105.47	312.49	6.13	-99.34
CC1=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C=CS1	REAL300000486908	0	31	-2.0	-104.80	303.32	5.43	-99.37
CC1=C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)C=CS1	REAL300000486909	0	31	-2.0	-102.57	309.77	5.86	-96.71
CC1=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=CS1	REAL300000486910	0	31	-2.0	-110.07	303.04	5.43	-104.64
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC=C2)C=C1C(=O)[O-]	REAL300000486911	1	34	-2.0	-107.18	312.33	5.92	-101.26
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)C=CS1	REAL300000486912	0	28	-2.0	-97.21	298.95	5.48	-91.73
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC=C2)C=C1CC(=O)[O-]	REAL300000486913	1	35	-2.0	-107.87	328.47	4.87	-103.00
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=CS1	REAL300000486914	0	31	-2.0	-94.76	304.26	5.93	-88.83
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=CS1	REAL300000486915	1	31	-2.0	-89.51	308.14	5.54	-83.97
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)C=CS1	REAL300000486916	1	31	-2.0	-103.00	309.23	5.70	-97.30
CC1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=CS1	REAL300000486917	0	28	-2.0	-98.21	299.30	5.35	-92.86
CC1=C([N-]S(=O)(=O)C2=C(Br)C(C)=CC(C(=O)[O-])=C2)C=CS1	REAL300000486918	0	31	-2.0	-102.11	312.58	6.01	-96.10
CCN1C=C(S(=O)(=O)[N-]C2=C(C)SC=C2)C=C1C(=O)[O-]	REAL300000486919	0	32	-2.0	-105.03	306.03	4.96	-100.07
CC1=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=CS1	REAL300000486920	1	40	-2.0	-105.49	343.15	7.60	-97.89
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)C=CS1	REAL300000486921	0	28	-2.0	-92.78	300.10	5.49	-87.29
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=CS1	REAL300000486922	0	28	-2.0	-93.14	303.61	5.29	-87.85
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=CS1	REAL300000486923	0	32	-2.0	-91.96	322.70	5.04	-86.92
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=CS1	REAL300000486924	1	31	-2.0	-98.71	307.87	5.70	-93.01
CC1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=CS1	REAL300000486925	0	37	-2.0	-102.07	327.45	6.88	-95.19
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)SC=C2)C=C1C(=O)[O-]	REAL300000486926	0	32	-2.0	-106.41	318.33	5.37	-101.04
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=CS1	REAL300000486927	1	31	-2.0	-94.66	298.07	5.38	-89.28
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=CS1	REAL300000486928	0	33	-2.0	-97.64	318.72	6.92	-90.72
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=CS1	REAL300000486929	1	31	-2.0	-103.55	297.96	5.55	-98.00
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=CS1	REAL300000486930	0	30	-2.0	-112.13	301.75	6.59	-105.54
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CS1	REAL300000486931	0	28	-2.0	-109.41	281.64	4.76	-104.65
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=CS1	REAL300000486932	0	31	-2.0	-96.98	299.17	5.31	-91.67
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=CS1	REAL300000486933	0	34	-2.0	-113.59	319.04	6.87	-106.72
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)SC=C1	REAL300000486934	0	32	-2.0	-97.10	306.20	4.54	-92.56
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CS1	REAL300000486935	0	25	-2.0	-93.34	278.14	3.73	-89.61
CC1=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=CS1	REAL300000486936	1	32	-2.0	-100.74	321.79	5.29	-95.45
CC1=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=CS1	REAL300000486937	0	31	-2.0	-96.58	321.35	1.79	-94.79
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=CS1	REAL300000486938	1	35	-2.0	-99.42	324.13	6.62	-92.80
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=CS1	REAL300000486939	1	35	-2.0	-102.29	322.09	6.61	-95.68
CCC1=C(S(=O)(=O)[N-]C2=C(C)SC=C2)C=C(C(=O)[O-])O1	REAL300000486940	0	31	-2.0	-99.12	300.13	4.73	-94.39
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1	REAL300000486941	0	42	-2.0	-92.88	369.82	2.93	-89.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC=C1F	REAL300000486942	0	35	-2.0	-109.39	317.89	4.37	-105.02
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCCN2N=C1	REAL300000486943	0	43	-2.0	-111.01	372.96	5.45	-105.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1	REAL300000486944	0	35	-2.0	-99.35	313.34	4.35	-95.00
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000486945	0	35	-2.0	-111.94	313.39	4.34	-107.60
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCCN2N=C1	REAL300000486946	0	39	-2.0	-118.13	341.48	4.16	-113.97
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1	REAL300000486947	0	39	-2.0	-98.96	344.81	5.64	-93.32
CC1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1C(=O)[O-]	REAL300000486948	0	38	-2.0	-113.35	329.37	4.87	-108.48
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000486949	0	35	-2.0	-107.97	326.42	4.91	-103.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC=C1Cl	REAL300000486950	0	35	-2.0	-107.84	325.87	4.73	-103.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C(Cl)C=C1Cl	REAL300000486951	0	35	-2.0	-103.52	338.91	5.30	-98.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1C	REAL300000486952	0	41	-2.0	-115.60	346.02	5.70	-109.90
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000486953	0	35	-2.0	-109.65	318.81	4.41	-105.24
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1	REAL300000486954	0	41	-2.0	-98.46	356.94	5.93	-92.53
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000486955	0	32	-2.0	-106.16	306.53	3.38	-102.78
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCCN2N=C1	REAL300000486956	0	38	-2.0	-113.44	328.78	5.12	-108.32
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1	REAL300000486957	0	39	-2.0	-97.70	344.43	4.63	-93.07
CN1C=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1C(=O)[O-]	REAL300000486958	0	36	-2.0	-110.50	320.00	3.71	-106.79
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCCN2N=C1	REAL300000486959	0	39	-2.0	-113.98	337.14	3.19	-110.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000486960	0	35	-2.0	-102.25	322.46	4.03	-98.22
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1C(=O)[O-]	REAL300000486961	0	41	-2.0	-114.71	344.81	5.66	-109.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CS1	REAL300000486962	0	32	-2.0	-107.64	305.01	3.38	-104.26
COC1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC(C(=O)[O-])=C1OC	REAL300000486963	0	43	-2.0	-112.31	371.67	4.17	-108.14
COC1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1C(=O)[O-]	REAL300000486964	0	39	-2.0	-117.87	340.64	4.41	-113.46
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000486965	0	45	-2.0	-117.47	368.58	6.98	-110.49
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCCN2N=C1	REAL300000486966	0	44	-2.0	-115.72	367.25	6.35	-109.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCCN2N=C1	REAL300000486967	0	41	-2.0	-111.60	343.50	6.06	-105.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCCN2N=C1	REAL300000486968	0	42	-2.0	-118.09	363.77	4.92	-113.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC(C(=O)[O-])=C1	REAL300000486969	0	37	-3.0	-186.89	341.75	4.92	-181.97
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000486970	0	42	-2.0	-117.77	357.60	6.23	-111.54
CC1=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C(C(=O)[O-])O1	REAL300000486971	0	35	-2.0	-106.16	316.39	3.49	-102.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC2=C1OCCO2	REAL300000486972	0	41	-2.0	-116.79	355.51	4.13	-112.66
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000486973	0	39	-2.0	-112.49	342.27	3.44	-109.05
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=C4CCCCN4N=C3)C=C2C1	REAL300000486974	0	43	-2.0	-99.07	366.98	4.95	-94.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC(Cl)=C1Cl	REAL300000486975	0	35	-2.0	-101.43	341.02	5.19	-96.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C(Cl)C=C1F	REAL300000486976	0	35	-2.0	-104.60	330.94	4.94	-99.66
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1Cl	REAL300000486977	0	39	-2.0	-96.13	360.45	5.17	-90.96
CC1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC=C1OCC(=O)[O-]	REAL300000486978	0	42	-2.0	-98.18	364.51	5.33	-92.85
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1F	REAL300000486979	0	45	-2.0	-96.89	393.09	5.59	-91.30
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCCN2N=C1	REAL300000486980	0	38	-2.0	-103.75	334.06	5.16	-98.59
CC1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000486981	0	48	-2.0	-98.35	406.94	6.26	-92.09
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1F	REAL300000486982	0	39	-2.0	-97.03	350.64	4.69	-92.34
CCOC1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1C(=O)[O-]	REAL300000486983	0	42	-2.0	-118.52	362.48	5.33	-113.19
CC1=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C(C(=O)[O-])S1	REAL300000486984	0	35	-2.0	-109.57	323.04	4.23	-105.34
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000486985	0	35	-2.0	-101.60	341.57	5.36	-96.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C(Cl)=C1	REAL300000486986	0	35	-2.0	-96.82	326.40	4.90	-91.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1F	REAL300000486987	0	35	-2.0	-98.73	317.86	4.39	-94.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)S1	REAL300000486988	0	32	-2.0	-101.01	305.61	3.47	-97.54
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000486989	0	35	-2.0	-102.83	319.75	4.41	-98.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1F	REAL300000486990	0	38	-2.0	-111.14	339.10	5.06	-106.08
COC1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000486991	0	39	-2.0	-101.37	353.65	4.96	-96.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C(F)=C1	REAL300000486992	0	35	-2.0	-98.72	318.81	4.42	-94.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1Cl	REAL300000486993	0	35	-2.0	-96.80	325.83	4.75	-92.05
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCCN2N=C1	REAL300000486994	0	38	-2.0	-105.56	342.79	5.54	-100.02
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1	REAL300000486995	0	43	-2.0	-95.71	377.09	5.75	-89.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC(F)=C1F	REAL300000486996	0	35	-2.0	-100.80	324.17	4.43	-96.37
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000486997	0	37	-2.0	-96.79	341.54	5.01	-91.78
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000486998	0	36	-2.0	-112.53	323.06	2.07	-110.46
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1	REAL300000486999	0	38	-2.0	-103.45	335.54	5.13	-98.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC(Cl)=C1F	REAL300000487000	0	35	-2.0	-102.30	334.06	4.87	-97.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C2CCCCN2N=C1	REAL300000487001	0	38	-2.0	-107.58	323.39	4.97	-102.61
CC1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC(C(=O)[O-])=C1F	REAL300000487002	0	38	-2.0	-110.75	338.18	4.99	-105.76
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2CCCCN2N=C1	REAL300000487003	0	38	-2.0	-99.53	328.76	5.12	-94.41
CC1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC(C(=O)[O-])=C1C	REAL300000487004	0	41	-2.0	-115.12	346.81	5.43	-109.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC=C1[N+](=O)[O-]	REAL300000487005	0	37	-2.0	-109.89	339.91	5.43	-104.46
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000487006	0	35	-2.0	-101.05	325.11	4.48	-96.57
CC1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C(C)=C1C(=O)[O-]	REAL300000487007	0	41	-2.0	-112.00	346.74	5.76	-106.24
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1C(=O)[O-]	REAL300000487008	0	38	-2.0	-110.86	334.84	4.95	-105.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1Cl	REAL300000487009	0	38	-2.0	-109.86	345.11	5.48	-104.38
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000487010	0	38	-2.0	-116.24	338.38	5.03	-111.21
CCC1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1C(=O)[O-]	REAL300000487011	0	41	-2.0	-114.00	347.59	5.53	-108.47
COC1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1CC(=O)[O-]	REAL300000487012	0	42	-2.0	-114.12	363.82	4.47	-109.65
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C2CCCCN2N=C1	REAL300000487013	0	38	-2.0	-101.69	343.89	5.59	-96.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1C(F)(F)F	REAL300000487014	0	38	-2.0	-95.81	343.46	5.15	-90.66
CC1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000487015	0	38	-2.0	-109.57	344.57	5.30	-104.27
CCN1C=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1C(=O)[O-]	REAL300000487016	0	39	-2.0	-111.80	341.38	4.57	-107.23
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C(C)=C1CC(=O)[O-]	REAL300000487017	0	47	-2.0	-111.64	378.50	7.22	-104.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C(F)C(Cl)=C1F	REAL300000487018	0	35	-2.0	-99.78	338.95	4.92	-94.86
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1C(=O)[O-]	REAL300000487019	0	38	-2.0	-105.35	343.21	5.31	-100.04
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C(C(=O)[O-])S1	REAL300000487020	0	44	-2.0	-109.13	362.80	6.48	-102.65
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1C(=O)[O-]	REAL300000487021	0	39	-2.0	-113.63	353.66	4.97	-108.66
CC1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC=C1C(=O)[O-]	REAL300000487022	0	38	-2.0	-99.57	329.35	4.89	-94.68
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C([N+](=O)[O-])=C1	REAL300000487023	0	40	-2.0	-103.73	356.61	6.54	-97.19
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCCN2N=C1	REAL300000487024	0	38	-2.0	-110.92	332.88	5.18	-105.74
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1[N+](=O)[O-]	REAL300000487025	0	37	-2.0	-118.38	337.07	6.21	-112.17
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1F	REAL300000487026	0	35	-2.0	-115.47	317.01	4.39	-111.08
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C1C(=O)[O-]	REAL300000487027	0	38	-2.0	-103.58	334.51	4.91	-98.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=CC2=CC=CC=C21	REAL300000487028	0	41	-2.0	-120.25	354.39	6.47	-113.78
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C1	REAL300000487029	0	34	-2.0	-109.60	309.57	2.47	-107.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2CCCCN2N=C1	REAL300000487030	0	39	-2.0	-103.74	341.55	4.16	-99.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)=C(Cl)O1	REAL300000487031	0	32	-2.0	-99.82	313.49	3.34	-96.48
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C4CCCCN4N=C3)C=C2)CC1	REAL300000487032	0	42	-2.0	-104.99	357.33	6.17	-98.82
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C4CCCCN4N=C3)C=C2C1	REAL300000487033	0	42	-2.0	-108.83	358.79	6.23	-102.60
CCC1=C(S(=O)(=O)[N-]C2=C3CCCCN3N=C2)C=C(C(=O)[O-])O1	REAL300000487034	0	38	-2.0	-106.11	335.51	4.34	-101.77
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000487035	0	43	-2.0	-112.89	369.02	1.26	-111.63
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000487036	0	43	-2.0	-95.88	345.02	1.09	-94.79
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000487037	0	43	-2.0	-107.44	345.05	1.08	-106.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCN1C(C)(C)C	REAL300000487038	0	47	-2.0	-118.36	392.95	1.23	-117.13
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000487039	0	47	-2.0	-94.71	376.50	2.37	-92.34
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)C=C1C(=O)[O-]	REAL300000487040	0	46	-2.0	-116.24	380.51	1.76	-114.48
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000487041	0	43	-2.0	-109.03	377.87	1.97	-107.06
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000487042	0	43	-2.0	-111.23	376.99	1.62	-109.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)=C1C	REAL300000487043	0	49	-2.0	-115.44	397.20	2.71	-112.73
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000487044	0	43	-2.0	-110.59	370.28	1.48	-109.11
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000487045	0	49	-2.0	-93.56	388.61	2.67	-90.89
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000487046	0	40	-2.0	-109.38	357.98	0.44	-108.94
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCN1C(C)(C)C	REAL300000487047	0	46	-2.0	-113.57	380.23	2.19	-111.38
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000487048	0	47	-2.0	-93.44	376.12	1.37	-92.07
CN1C=C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)C=C1C(=O)[O-]	REAL300000487049	0	44	-2.0	-113.83	371.44	0.78	-113.05
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCN1C(C)(C)C	REAL300000487050	0	47	-2.0	-113.70	389.00	0.22	-113.48
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)=C1	REAL300000487051	0	43	-2.0	-105.71	373.92	1.10	-104.61
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)C=C1C(=O)[O-]	REAL300000487052	0	49	-2.0	-114.90	395.87	2.67	-112.23
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000487053	0	40	-2.0	-103.83	336.70	0.10	-103.73
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)C=C1C(=O)[O-]	REAL300000487054	0	47	-2.0	-121.24	391.77	1.30	-119.94
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCN1C(C)(C)C	REAL300000487055	0	52	-2.0	-115.47	418.70	3.39	-112.08
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCN1C(C)(C)C	REAL300000487056	0	49	-2.0	-111.06	394.94	2.94	-108.12
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCN1C(C)(C)C	REAL300000487057	0	50	-2.0	-120.82	415.23	1.99	-118.83
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000487058	0	45	-3.0	-184.45	373.45	1.65	-182.80
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000487059	0	50	-2.0	-118.18	408.73	3.11	-115.07
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)C=C(C(=O)[O-])O1	REAL300000487060	0	43	-2.0	-107.67	367.84	0.56	-107.11
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)=C1	REAL300000487061	0	47	-2.0	-116.77	393.77	0.52	-116.25
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)=CC=C1OCC(=O)[O-]	REAL300000487062	0	50	-2.0	-93.48	396.08	1.77	-91.71
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCN1C(C)(C)C	REAL300000487063	0	46	-2.0	-104.91	385.51	2.23	-102.68
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)C=C1C(=O)[O-]	REAL300000487064	0	50	-2.0	-121.63	413.62	2.20	-119.43
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)C=C(C(=O)[O-])S1	REAL300000487065	0	43	-2.0	-110.40	373.40	1.32	-109.08
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000487066	0	43	-2.0	-100.64	377.85	1.97	-98.67
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000487067	0	43	-2.0	-102.71	369.02	1.27	-101.44
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000487068	0	40	-2.0	-104.51	357.06	0.55	-103.96
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000487069	0	43	-2.0	-98.51	351.34	0.85	-97.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)=C1F	REAL300000487070	0	46	-2.0	-112.09	390.56	2.12	-109.97
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000487071	0	43	-2.0	-102.56	370.26	1.49	-101.07
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000487072	0	43	-2.0	-100.64	376.99	1.63	-99.01
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000487073	0	43	-2.0	-96.66	355.76	0.88	-95.78
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000487074	0	44	-2.0	-111.44	374.52	-0.86	-112.30
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000487074	1	43	-3.0	-212.46	370.95	0.02	-212.44
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000487075	0	46	-2.0	-97.87	367.22	1.87	-96.00
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1CCN1C(C)(C)C	REAL300000487076	0	46	-2.0	-113.12	374.97	2.03	-111.09
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)=CC(C(=O)[O-])=C1F	REAL300000487077	0	46	-2.0	-106.15	369.77	1.44	-104.71
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCN1C(C)(C)C	REAL300000487078	0	46	-2.0	-102.72	380.21	2.17	-100.55
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)=CC(C(=O)[O-])=C1C	REAL300000487079	0	49	-2.0	-110.71	376.77	2.00	-108.71
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000487080	0	43	-2.0	-102.96	376.56	1.54	-101.42
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)C(C)=C1C(=O)[O-]	REAL300000487081	0	49	-2.0	-117.66	398.18	2.74	-114.92
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)C=C1C(=O)[O-]	REAL300000487082	0	46	-2.0	-111.60	386.40	1.99	-109.61
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)=C1	REAL300000487083	0	46	-2.0	-122.11	389.84	2.11	-120.00
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)C=C1C(=O)[O-]	REAL300000487084	0	49	-2.0	-117.03	398.58	2.42	-114.61
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)C=C1CC(=O)[O-]	REAL300000487085	0	50	-2.0	-111.64	395.40	0.92	-110.72
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)C=C1C(=O)[O-]	REAL300000487086	0	47	-2.0	-115.06	392.82	1.65	-113.41
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000487087	0	46	-2.0	-95.62	359.87	1.49	-94.13
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCN1C(C)(C)C	REAL300000487088	0	46	-2.0	-111.12	384.75	2.21	-108.91
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000487089	0	43	-2.0	-121.25	368.46	1.44	-119.81
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)C=C1C(=O)[O-]	REAL300000487090	0	46	-2.0	-108.40	389.63	1.91	-106.49
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000487091	0	42	-2.0	-112.75	360.71	-0.64	-113.39
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCN1C(C)(C)C	REAL300000487092	0	47	-2.0	-106.84	393.00	1.22	-105.62
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000487093	0	40	-2.0	-102.43	364.94	0.40	-102.03
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000487094	0	50	-2.0	-100.65	391.06	2.67	-97.98
CC(C)(C)N1CCC1C(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000487095	0	50	-2.0	-102.64	390.48	2.98	-99.66
CCC1=C(S(=O)(=O)[N-]NC(=O)C2CCN2C(C)(C)C)C=C(C(=O)[O-])O1	REAL300000487096	0	46	-2.0	-107.13	386.92	1.34	-105.79
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000487097	1	38	-2.0	-106.79	361.60	8.72	-98.07
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300000487098	1	38	-2.0	-96.98	357.02	8.71	-88.27
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)S1	REAL300000487099	1	38	-2.0	-110.78	357.07	8.69	-102.09
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)S1	REAL300000487100	1	42	-2.0	-95.83	388.48	9.99	-85.84
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000487101	1	41	-2.0	-110.81	373.08	9.23	-101.58
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000487102	0	38	-2.0	-107.81	362.50	8.76	-99.05
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)S1	REAL300000487103	0	35	-2.0	-104.73	350.23	7.71	-97.02
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)S1	REAL300000487104	1	41	-2.0	-111.00	372.46	9.47	-101.53
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)S1	REAL300000487105	0	39	-2.0	-108.71	363.72	8.05	-100.66
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)S1	REAL300000487106	0	38	-2.0	-100.04	366.19	8.38	-91.66
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)S1	REAL300000487107	0	35	-2.0	-105.18	348.72	7.72	-97.46
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)S1	REAL300000487108	0	38	-2.0	-103.97	360.04	7.83	-96.14
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)S1	REAL300000487109	0	38	-2.0	-107.35	365.65	8.59	-98.76
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000487110	1	38	-2.0	-96.37	361.60	8.73	-87.64
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)S1	REAL300000487111	0	35	-2.0	-98.82	349.29	7.83	-90.99
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000487112	0	38	-2.0	-100.52	363.47	8.76	-91.76
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000487113	0	38	-2.0	-96.56	362.52	8.77	-87.79
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)S1	REAL300000487114	0	39	-2.0	-109.70	366.74	6.41	-103.29
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)S1	REAL300000487115	1	41	-2.0	-100.68	379.21	9.47	-91.21
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000487116	1	41	-2.0	-105.29	367.07	9.33	-95.96
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000487117	1	41	-2.0	-96.98	372.47	9.46	-87.52
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CC=C(C)S2)C=C1C(=O)[O-]	REAL300000487118	0	42	-2.0	-110.01	385.09	8.90	-101.11
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000487119	1	41	-2.0	-97.28	373.08	9.24	-88.04
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000487120	0	38	-2.0	-113.26	360.68	8.73	-104.53
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)S1	REAL300000487121	0	37	-2.0	-107.71	353.30	6.80	-100.91
CC1=CC=C(C2=CC=CC=C2[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)S1	REAL300000487122	0	35	-2.0	-97.89	357.13	7.67	-90.22
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=CC=C(C)S2)C=C(C(=O)[O-])O1	REAL300000487123	0	41	-2.0	-103.45	379.16	8.67	-94.78
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000487175	0	41	-2.0	-85.89	368.06	-0.79	-86.68
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487176	0	34	-2.0	-100.74	316.13	0.66	-100.08
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(C(N)=O)=C1	REAL300000487177	0	42	-2.0	-103.04	371.21	1.71	-101.33
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C(N)=O	REAL300000487178	0	34	-2.0	-91.31	311.60	0.64	-90.67
CC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487179	0	34	-2.0	-102.90	311.60	0.61	-102.29
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(C(N)=O)=C1	REAL300000487180	0	38	-2.0	-109.02	339.74	0.42	-108.60
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000487181	0	38	-2.0	-91.63	343.05	1.92	-89.71
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000487182	0	37	-2.0	-104.97	331.27	1.26	-103.71
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C(N)=O	REAL300000487183	0	34	-2.0	-99.60	324.66	1.20	-98.40
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487184	0	34	-2.0	-98.92	324.10	1.02	-97.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)=C1C	REAL300000487185	0	40	-2.0	-107.32	344.28	1.96	-105.36
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(N)=O	REAL300000487186	0	34	-2.0	-100.67	317.07	0.69	-99.98
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000487187	0	40	-2.0	-90.88	355.18	2.20	-88.68
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(N)=O	REAL300000487188	0	31	-2.0	-97.41	304.78	-0.35	-97.76
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(C(N)=O)=C1	REAL300000487189	0	37	-2.0	-105.09	327.03	1.41	-103.68
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000487190	1	38	-2.0	-90.20	342.66	0.90	-89.30
CC1=NC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487191	0	35	-2.0	-101.56	318.24	-0.02	-101.58
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(C(N)=O)=C1	REAL300000487192	1	38	-2.0	-105.49	335.80	-0.55	-106.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)=C1	REAL300000487193	0	34	-2.0	-93.68	320.71	0.30	-93.38
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000487194	1	40	-2.0	-106.72	342.70	1.96	-104.76
CC1=NC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487195	0	31	-2.0	-98.87	303.25	-0.33	-99.20
COC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000487196	0	42	-2.0	-103.36	369.91	0.45	-102.91
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000487197	1	38	-2.0	-108.64	338.88	0.69	-107.95
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1C(N)=O	REAL300000487198	0	44	-2.0	-108.54	366.84	3.26	-105.28
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1C(N)=O	REAL300000487199	0	43	-2.0	-107.16	365.49	2.64	-104.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(C(N)=O)=C1	REAL300000487200	0	40	-2.0	-103.95	341.72	2.35	-101.60
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(C(N)=O)=C1	REAL300000487201	0	41	-2.0	-108.32	362.02	1.19	-107.13
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487202	0	36	-3.0	-175.28	340.00	1.20	-174.08
CC1=NC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487202	1	37	-2.0	-111.47	342.40	1.19	-110.28
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C(N)=O	REAL300000487203	0	41	-2.0	-108.75	355.84	2.53	-106.22
CC1=C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000487204	0	34	-2.0	-98.06	314.60	-0.23	-98.29
CC1=NC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487205	0	40	-2.0	-107.45	353.76	0.41	-107.04
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)=C1	REAL300000487206	0	38	-2.0	-103.90	340.58	-0.28	-104.18
CC1=NC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1C(N)=O	REAL300000487207	1	42	-2.0	-91.35	365.23	1.23	-90.12
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C(N)=O	REAL300000487208	0	34	-2.0	-96.58	329.19	1.23	-95.35
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1C(N)=O	REAL300000487209	0	38	-2.0	-88.90	358.70	1.43	-87.47
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)=CC=C1OCC(=O)[O-]	REAL300000487210	1	41	-2.0	-90.56	362.75	1.61	-88.95
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C(N)=O	REAL300000487211	0	37	-2.0	-95.74	332.32	1.44	-94.30
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C(N)=O	REAL300000487212	0	38	-2.0	-89.85	348.90	0.96	-88.89
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000487213	1	41	-2.0	-109.24	360.75	1.59	-107.65
CC1=C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)C=C(C(=O)[O-])S1	REAL300000487214	0	34	-2.0	-101.66	320.19	0.52	-101.14
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C(N)=O	REAL300000487215	0	34	-2.0	-89.02	324.64	1.20	-87.82
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(N)=O	REAL300000487216	0	34	-2.0	-90.97	316.11	0.67	-90.30
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(N)=O	REAL300000487217	0	31	-2.0	-92.74	303.86	-0.25	-92.99
CC1=NC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487218	0	34	-2.0	-94.06	318.00	0.69	-93.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)=C1F	REAL300000487219	0	37	-2.0	-101.92	337.35	1.31	-100.61
COC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000487220	0	38	-2.0	-93.58	351.91	1.25	-92.33
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(N)=O	REAL300000487221	0	34	-2.0	-90.29	317.06	0.71	-89.58
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(N)=O	REAL300000487222	0	34	-2.0	-88.90	324.08	1.03	-87.87
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C(N)=O	REAL300000487223	0	37	-2.0	-97.37	341.06	1.82	-95.55
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000487224	0	42	-2.0	-88.69	375.34	2.04	-86.65
CC1=NC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487225	0	34	-2.0	-92.80	322.41	0.73	-92.07
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C(N)=O	REAL300000487226	0	36	-2.0	-88.66	339.78	1.30	-87.36
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C(N)=O	REAL300000487227	0	35	-2.0	-104.47	321.31	-1.66	-106.13
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000487228	0	37	-2.0	-95.32	333.78	1.39	-93.93
CC1=NC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487229	0	34	-2.0	-94.09	332.30	1.17	-92.92
CC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C(N)=O	REAL300000487230	0	37	-2.0	-98.69	321.76	1.26	-97.43
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000487231	0	37	-2.0	-101.91	336.43	1.29	-100.62
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C)C(C(N)=O)=C1	REAL300000487232	1	37	-2.0	-91.90	327.01	1.41	-90.49
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000487233	0	40	-2.0	-107.11	348.50	1.80	-105.31
CC1=NC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487234	0	36	-2.0	-101.94	338.19	1.71	-100.23
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C(N)=O	REAL300000487235	0	34	-2.0	-92.38	323.35	0.75	-91.63
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)C(C)=C1C(=O)[O-]	REAL300000487236	1	40	-2.0	-102.74	346.16	2.03	-100.71
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000487237	0	37	-2.0	-101.69	333.10	1.23	-100.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)=C1Cl	REAL300000487238	0	37	-2.0	-101.11	343.38	1.75	-99.36
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)=C1	REAL300000487239	0	37	-2.0	-106.22	336.61	1.33	-104.89
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000487240	0	40	-2.0	-104.47	345.87	1.81	-102.66
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)C=C1CC(=O)[O-]	REAL300000487241	1	41	-2.0	-105.65	362.06	0.74	-104.91
CC1=NC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C(N)=O	REAL300000487242	0	37	-2.0	-92.22	338.35	1.79	-90.43
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000487243	0	37	-2.0	-100.47	342.82	1.59	-98.88
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000487244	0	38	-2.0	-102.75	339.61	0.84	-101.91
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)C(C)=C1CC(=O)[O-]	REAL300000487245	1	46	-2.0	-103.06	376.34	3.49	-99.57
CC1=NC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487246	0	37	-2.0	-97.49	345.51	1.70	-95.79
CC1=NC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487247	0	43	-2.0	-101.28	361.03	2.74	-98.54
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000487248	0	38	-2.0	-105.10	351.92	1.27	-103.83
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000487249	0	37	-2.0	-91.28	327.63	1.17	-90.11
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C(N)=O	REAL300000487250	0	39	-2.0	-95.15	354.93	2.81	-92.34
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(C(N)=O)=C1	REAL300000487251	1	37	-2.0	-102.78	331.55	1.45	-101.33
CC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C(N)=O	REAL300000487252	0	36	-2.0	-108.85	335.35	2.49	-106.36
CC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(N)=O	REAL300000487253	0	34	-2.0	-105.93	315.21	0.65	-105.28
CC1=NC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487254	0	37	-2.0	-95.79	336.85	1.30	-94.49
CC1=NC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487255	0	40	-2.0	-110.81	352.67	2.76	-108.05
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(N)=O	REAL300000487256	0	33	-2.0	-100.30	307.81	-1.25	-101.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C)C(C(N)=O)=C1	REAL300000487257	0	38	-2.0	-95.26	339.80	0.42	-94.84
CC1=NC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000487258	0	31	-2.0	-91.72	311.74	-0.40	-92.12
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C(N)=O	REAL300000487259	0	41	-2.0	-98.36	357.72	2.49	-95.87
CC1=NC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C(N)=O	REAL300000487260	0	41	-2.0	-99.42	357.03	2.50	-96.92
CCC1=C(S(=O)(=O)[N-]C2=CN=C(C)C(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000487261	0	37	-2.0	-98.20	333.73	0.61	-97.59
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000487262	1	39	-2.0	-90.09	353.06	1.51	-88.58
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000487263	1	32	-2.0	-106.84	301.14	2.95	-103.89
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC=C1C	REAL300000487264	0	40	-2.0	-108.22	356.22	4.01	-104.21
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000487265	0	32	-2.0	-104.55	313.02	3.64	-100.91
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000487266	1	32	-2.0	-96.37	296.60	2.93	-93.44
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000487267	1	32	-2.0	-108.62	296.60	2.92	-105.70
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC=C1C	REAL300000487268	0	36	-2.0	-115.45	324.74	2.72	-112.73
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000487269	1	32	-2.0	-104.99	312.85	3.41	-101.58
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000487270	1	36	-2.0	-96.14	328.05	4.21	-91.93
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000487271	1	35	-2.0	-110.74	312.62	3.45	-107.29
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000487272	0	32	-2.0	-105.29	309.67	3.49	-101.80
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000487273	1	32	-2.0	-105.30	309.12	3.31	-101.99
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000487274	0	32	-2.0	-100.81	322.17	3.87	-96.94
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000487275	1	38	-2.0	-113.22	329.26	4.27	-108.95
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000487276	0	32	-2.0	-107.06	302.08	2.98	-104.08
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000487277	1	38	-2.0	-95.50	340.17	4.51	-90.99
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000487278	0	29	-2.0	-103.78	289.79	1.93	-101.85
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000487279	1	35	-2.0	-111.02	312.03	3.70	-107.32
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000487280	1	36	-2.0	-94.69	327.67	3.20	-91.49
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000487281	1	43	-2.0	-91.37	373.43	3.98	-87.39
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000487282	0	29	-2.0	-100.82	306.81	2.71	-98.11
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000487283	0	33	-2.0	-106.96	303.25	2.26	-104.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(O)=CC=C2C)=C1	REAL300000487285	0	32	-2.0	-99.20	305.71	2.60	-96.60
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000487286	1	38	-2.0	-112.36	328.05	4.24	-108.12
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000487287	0	29	-2.0	-105.23	288.25	1.95	-103.28
COC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000487288	1	40	-2.0	-109.92	354.92	2.73	-107.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C)C=C1C(=O)[O-]	REAL300000487289	1	36	-2.0	-114.52	323.89	2.99	-111.53
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000487290	1	42	-2.0	-114.93	351.83	5.55	-109.38
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000487291	1	41	-2.0	-113.20	350.50	4.93	-108.27
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC=C1C	REAL300000487292	1	38	-2.0	-109.35	326.09	4.62	-104.73
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC=C1C	REAL300000487293	0	39	-2.0	-115.49	347.03	3.49	-112.00
CC1=CC=C(O)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000487294	0	35	-2.0	-112.86	323.54	3.42	-109.44
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000487294	1	34	-3.0	-184.14	325.00	3.48	-180.66
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000487295	1	39	-2.0	-115.27	340.84	4.82	-110.45
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000487296	0	32	-2.0	-103.51	299.61	2.05	-101.46
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000487297	1	38	-2.0	-114.30	338.77	2.69	-111.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C)=C1	REAL300000487298	0	36	-2.0	-108.96	325.52	2.01	-106.95
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000487299	1	40	-2.0	-95.65	349.53	3.52	-92.13
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000487300	1	32	-2.0	-98.89	324.27	3.77	-95.12
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000487301	0	32	-2.0	-101.87	314.19	3.51	-98.36
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000487302	1	36	-2.0	-93.21	343.71	3.74	-89.47
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000487303	1	39	-2.0	-95.17	347.76	3.91	-91.26
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000487304	1	42	-2.0	-94.14	376.35	4.17	-89.97
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000487305	1	35	-2.0	-101.21	317.31	3.74	-97.47
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000487306	1	45	-2.0	-95.39	390.21	4.84	-90.55
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000487307	1	36	-2.0	-94.18	333.90	3.27	-90.91
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000487308	1	42	-2.0	-93.77	386.15	4.66	-89.11
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C)C=C1C(=O)[O-]	REAL300000487309	1	39	-2.0	-116.09	345.75	3.90	-112.19
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000487310	0	32	-2.0	-107.19	305.22	2.81	-104.38
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000487311	0	32	-2.0	-98.86	324.83	3.94	-94.92
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000487312	0	32	-2.0	-93.72	309.65	3.48	-90.24
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000487313	0	32	-2.0	-93.12	313.00	3.63	-89.49
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000487314	1	32	-2.0	-95.86	301.12	2.96	-92.90
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000487315	0	29	-2.0	-98.10	288.86	2.04	-96.06
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000487316	1	32	-2.0	-100.12	303.02	2.99	-97.13
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000487317	0	35	-2.0	-108.47	322.34	3.61	-104.86
COC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000487318	0	36	-2.0	-98.26	336.90	3.54	-94.72
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000487319	0	32	-2.0	-95.58	302.06	2.99	-92.59
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000487320	1	32	-2.0	-93.91	309.10	3.32	-90.59
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000487321	1	35	-2.0	-103.00	326.04	4.13	-98.87
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000487322	1	40	-2.0	-92.97	360.33	4.33	-88.64
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000487323	1	32	-2.0	-93.52	312.83	3.42	-90.10
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000487324	1	32	-2.0	-98.19	307.42	3.01	-95.18
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000487325	0	34	-2.0	-93.62	324.80	3.59	-90.03
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000487326	0	33	-2.0	-109.94	306.31	0.63	-109.31
CC1=CC=C(O)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000487326	1	33	-2.0	-110.38	303.74	1.44	-108.94
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000487327	1	35	-2.0	-100.46	318.77	3.70	-96.76
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000487328	1	32	-2.0	-99.71	317.31	3.45	-96.26
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000487329	1	35	-2.0	-104.26	306.64	3.55	-100.71
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000487330	1	35	-2.0	-107.31	321.43	3.57	-103.74
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000487331	1	35	-2.0	-96.69	312.01	3.69	-93.00
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000487332	1	38	-2.0	-111.69	330.06	4.00	-107.69
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000487333	0	34	-2.0	-107.51	323.18	4.01	-103.50
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000487334	0	32	-2.0	-98.34	308.34	3.05	-95.29
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000487335	0	29	-2.0	-96.11	309.18	2.61	-93.50
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000487336	1	38	-2.0	-108.73	330.13	4.33	-104.40
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000487337	0	35	-2.0	-109.39	321.92	3.62	-105.77
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000487338	0	35	-2.0	-107.09	328.38	4.06	-103.03
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C)=C1	REAL300000487339	0	35	-2.0	-112.81	321.64	3.61	-109.20
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C)C=C1C(=O)[O-]	REAL300000487340	1	38	-2.0	-111.51	330.92	4.11	-107.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C)C=C1CC(=O)[O-]	REAL300000487341	1	39	-2.0	-111.50	347.07	3.05	-108.45
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000487342	1	35	-2.0	-97.69	322.86	4.10	-93.59
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000487343	1	35	-2.0	-92.78	326.71	3.73	-89.05
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000487344	1	35	-2.0	-106.18	327.82	3.88	-102.30
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000487345	1	32	-2.0	-102.06	317.90	3.53	-98.53
CCN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C)C=C1C(=O)[O-]	REAL300000487346	0	36	-2.0	-109.00	324.55	3.12	-105.88
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000487348	0	32	-2.0	-97.01	322.20	3.48	-93.53
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000487349	0	36	-2.0	-95.29	341.30	3.21	-92.08
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000487350	1	35	-2.0	-102.72	326.46	3.89	-98.83
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000487351	0	41	-2.0	-106.66	346.04	5.05	-101.61
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C)C=C1C(=O)[O-]	REAL300000487352	0	36	-2.0	-110.92	336.92	3.55	-107.37
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000487353	1	35	-2.0	-96.61	312.60	3.46	-93.15
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000487354	0	37	-2.0	-100.68	339.85	5.11	-95.57
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000487355	1	35	-2.0	-108.53	316.13	3.76	-104.77
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000487356	0	34	-2.0	-114.84	320.33	4.78	-110.06
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000487357	0	32	-2.0	-111.97	300.23	2.94	-109.03
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000487358	1	35	-2.0	-101.07	317.76	3.49	-97.58
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000487359	1	38	-2.0	-117.97	337.64	5.04	-112.93
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000487360	0	31	-2.0	-107.02	293.57	0.98	-106.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC=C1C	REAL300000487361	0	36	-2.0	-100.71	324.80	2.71	-98.00
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000487362	0	29	-2.0	-97.18	296.70	1.90	-95.28
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000487363	1	36	-2.0	-104.62	340.39	3.47	-101.15
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000487364	0	35	-2.0	-99.86	339.95	-0.04	-99.90
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000487365	1	39	-2.0	-103.06	342.72	4.81	-98.25
CC1=CC=C(O)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000487366	1	39	-2.0	-105.19	340.69	4.79	-100.40
CCC1=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000487367	0	35	-2.0	-103.43	318.71	2.91	-100.52
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1	REAL300000487385	0	48	-2.0	-115.99	377.68	8.12	-107.87
COC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C(F)=C1	REAL300000487397	1	40	-2.0	-104.27	361.02	5.47	-98.80
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000487407	1	32	-2.0	-102.89	306.88	4.44	-98.45
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(F)=C1	REAL300000487409	1	29	-2.0	-100.60	294.58	3.40	-97.20
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(F)=C1	REAL300000487414	1	32	-2.0	-97.15	310.54	4.07	-93.08
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000487423	0	35	-2.0	-106.57	329.95	4.86	-101.71
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(F)=C1	REAL300000487425	1	32	-2.0	-99.82	304.41	3.52	-96.30
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(F)=C1	REAL300000487441	1	29	-2.0	-95.60	293.66	3.50	-92.10
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(F)=C1	REAL300000487443	1	35	-2.0	-110.18	322.72	5.15	-105.03
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000487445	1	32	-2.0	-97.32	302.44	4.53	-92.79
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(F)=C1	REAL300000487451	0	33	-2.0	-105.73	305.68	2.97	-102.76
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(F)=C1	REAL300000487459	1	32	-2.0	-100.03	308.71	4.59	-95.44
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(F)=C1	REAL300000487461	1	35	-2.0	-105.15	326.71	5.07	-100.08
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000487463	1	35	-2.0	-111.85	326.45	5.07	-106.78
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C(F)=C1	REAL300000487471	1	32	-2.0	-98.63	322.58	5.01	-93.62
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(F)=C1	REAL300000487476	0	37	-2.0	-102.79	340.23	6.64	-96.15
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(F)=C1	REAL300000487478	1	34	-2.0	-114.31	325.13	6.23	-108.08
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000487479	1	32	-2.0	-111.10	305.04	4.41	-106.69
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(F)=C1	REAL300000487482	0	31	-2.0	-103.98	297.61	2.49	-101.49
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(F)=C1	REAL300000487484	1	29	-2.0	-93.91	301.51	3.34	-90.57
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2F)C=C(C(=O)[O-])O1	REAL300000487487	1	35	-2.0	-99.65	323.53	4.37	-95.28
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000487488	0	36	-2.0	-79.93	349.38	4.05	-75.88
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000487489	1	29	-2.0	-95.26	297.45	5.50	-89.76
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C#N)=C1	REAL300000487490	0	37	-2.0	-96.47	352.54	6.55	-89.92
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=C1	REAL300000487491	0	29	-2.0	-92.86	309.35	6.17	-86.69
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000487492	1	29	-2.0	-85.86	292.90	5.47	-80.39
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000487493	1	29	-2.0	-97.28	292.92	5.46	-91.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C#N)=C1	REAL300000487494	0	33	-2.0	-102.58	321.07	5.26	-97.32
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000487495	1	29	-2.0	-92.85	309.17	5.94	-86.91
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000487496	1	33	-2.0	-85.79	324.37	6.76	-79.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000487497	1	32	-2.0	-98.24	308.94	6.00	-92.24
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000487498	0	29	-2.0	-93.31	305.99	6.04	-87.27
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000487499	1	29	-2.0	-93.34	305.43	5.86	-87.48
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000487500	0	29	-2.0	-89.14	318.50	6.41	-82.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)=C1C	REAL300000487501	1	35	-2.0	-100.73	325.59	6.81	-93.92
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000487502	0	29	-2.0	-94.43	298.40	5.53	-88.90
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000487503	1	35	-2.0	-84.83	336.49	7.06	-77.77
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000487504	0	26	-2.0	-92.03	286.10	4.49	-87.54
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C#N)=C1	REAL300000487505	1	32	-2.0	-98.72	308.37	6.25	-92.47
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000487506	1	33	-2.0	-84.42	323.99	5.75	-78.67
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000487507	0	30	-2.0	-95.92	299.57	4.82	-91.10
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C#N)=C1	REAL300000487508	1	33	-2.0	-99.48	316.73	4.29	-95.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)=C1	REAL300000487509	0	29	-2.0	-88.37	302.03	5.15	-83.22
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000487510	1	35	-2.0	-99.74	324.38	6.79	-92.95
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000487511	0	26	-2.0	-93.40	284.57	4.51	-88.89
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)=CC(C(=O)[O-])=C1OC	REAL300000487512	1	37	-2.0	-97.87	351.26	5.27	-92.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000487513	1	33	-2.0	-103.10	320.21	5.53	-97.57
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000487514	1	39	-2.0	-102.08	348.16	8.09	-93.99
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C#N)=C1	REAL300000487515	1	38	-2.0	-100.63	346.82	7.47	-93.16
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C#N)=C1	REAL300000487516	1	35	-2.0	-97.43	323.08	7.18	-90.25
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C#N)=C1	REAL300000487517	0	36	-2.0	-102.28	343.34	6.03	-96.25
N#CC1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000487518	0	32	-2.0	-107.12	323.80	6.04	-101.08
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000487518	1	31	-3.0	-170.78	321.33	6.03	-164.75
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000487519	1	36	-2.0	-102.45	337.17	7.37	-95.08
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000487520	0	29	-2.0	-92.27	295.93	4.61	-87.66
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000487521	1	35	-2.0	-101.93	335.09	5.24	-96.69
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)=C1	REAL300000487522	0	33	-2.0	-98.42	321.88	4.56	-93.86
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000487523	1	37	-2.0	-85.36	346.56	6.09	-79.27
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000487524	1	29	-2.0	-87.36	320.61	6.32	-81.04
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000487525	0	29	-2.0	-90.54	310.51	6.06	-84.48
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000487526	1	33	-2.0	-83.21	340.02	6.29	-76.92
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)=CC=C1OCC(=O)[O-]	REAL300000487527	1	36	-2.0	-84.87	344.08	6.45	-78.42
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000487528	1	39	-2.0	-84.17	372.66	6.72	-77.45
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C#N)=C1	REAL300000487529	1	32	-2.0	-89.71	313.64	6.28	-83.43
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)=CC=C1OCCCC(=O)[O-]	REAL300000487530	1	42	-2.0	-84.98	386.51	7.39	-77.59
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000487531	1	33	-2.0	-84.27	330.22	5.81	-78.46
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000487532	1	36	-2.0	-103.71	342.06	6.44	-97.27
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C(C(=O)[O-])S1	REAL300000487533	0	29	-2.0	-95.45	301.51	5.36	-90.09
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000487534	0	29	-2.0	-87.35	321.14	6.49	-80.86
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000487535	0	29	-2.0	-83.49	305.98	6.03	-77.46
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=C1	REAL300000487536	0	29	-2.0	-83.18	309.33	6.17	-77.01
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000487537	1	29	-2.0	-85.66	297.45	5.51	-80.15
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000487538	0	26	-2.0	-87.23	285.19	4.60	-82.63
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000487539	0	29	-2.0	-88.56	299.33	5.53	-83.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)=C1F	REAL300000487540	0	32	-2.0	-95.79	318.69	6.17	-89.62
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000487541	0	33	-2.0	-88.32	333.21	6.09	-82.23
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000487542	0	29	-2.0	-84.88	298.38	5.54	-79.34
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000487543	1	29	-2.0	-83.56	305.42	5.87	-77.69
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C#N)=C1	REAL300000487544	1	32	-2.0	-91.26	322.38	6.67	-84.59
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000487545	0	37	-2.0	-82.78	356.67	6.88	-75.90
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000487546	1	29	-2.0	-83.05	309.16	5.96	-77.09
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000487547	1	29	-2.0	-87.27	303.76	5.56	-81.71
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000487548	0	31	-2.0	-83.08	321.11	6.13	-76.95
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000487549	0	30	-2.0	-97.81	302.64	3.17	-94.64
N#CC1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000487549	1	30	-2.0	-99.90	301.86	3.96	-95.94
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000487550	1	32	-2.0	-89.09	315.09	6.25	-82.84
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000487551	1	29	-2.0	-88.53	313.64	6.00	-82.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C#N)=C1	REAL300000487552	1	32	-2.0	-93.52	302.96	6.11	-87.41
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)=CC(C(=O)[O-])=C1F	REAL300000487553	1	32	-2.0	-96.49	317.77	6.12	-90.37
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C#N)=C1	REAL300000487554	1	32	-2.0	-86.35	308.33	6.24	-80.11
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)=CC(C(=O)[O-])=C1C	REAL300000487555	1	35	-2.0	-101.28	330.41	6.67	-94.61
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000487556	0	31	-2.0	-96.78	319.50	6.55	-90.23
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000487557	0	29	-2.0	-86.44	304.68	5.59	-80.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C(C)=C1C(=O)[O-]	REAL300000487558	1	35	-2.0	-97.72	327.41	6.85	-90.87
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000487559	0	32	-2.0	-96.70	318.22	6.17	-90.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)=C1Cl	REAL300000487560	0	32	-2.0	-95.00	324.68	6.60	-88.40
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)=C1	REAL300000487561	0	32	-2.0	-101.56	317.93	6.16	-95.40
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000487562	1	35	-2.0	-98.91	326.89	6.65	-92.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C1CC(=O)[O-]	REAL300000487563	1	36	-2.0	-99.18	343.38	5.60	-93.58
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C#N)=C1	REAL300000487564	1	32	-2.0	-87.17	319.20	6.64	-80.53
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000487565	1	32	-2.0	-82.78	323.05	6.27	-76.51
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000487566	1	32	-2.0	-95.03	324.16	6.42	-88.61
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000487567	1	29	-2.0	-90.24	314.21	6.08	-84.16
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000487568	0	33	-2.0	-97.11	320.94	5.69	-91.42
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C(C)=C1CC(=O)[O-]	REAL300000487569	1	41	-2.0	-97.08	358.07	8.34	-88.74
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000487570	0	29	-2.0	-85.61	318.51	6.02	-79.59
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000487571	1	32	-2.0	-91.91	326.68	6.53	-85.38
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C(C(=O)[O-])S1	REAL300000487572	0	38	-2.0	-95.41	342.36	7.60	-87.81
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000487573	0	33	-2.0	-98.89	333.25	6.10	-92.79
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000487574	1	32	-2.0	-85.97	308.91	6.01	-79.96
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000487575	0	34	-2.0	-90.09	336.19	7.66	-82.43
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C#N)=C1	REAL300000487576	1	32	-2.0	-96.85	312.44	6.30	-90.55
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000487577	0	31	-2.0	-104.18	316.66	7.31	-96.87
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000487578	0	29	-2.0	-100.90	296.58	5.50	-95.40
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000487579	1	32	-2.0	-90.18	317.85	6.15	-84.03
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000487580	1	35	-2.0	-105.02	333.96	7.59	-97.43
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000487581	0	28	-2.0	-94.77	289.15	3.60	-91.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C#N)=C1	REAL300000487582	0	33	-2.0	-89.73	321.13	5.26	-84.47
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000487583	0	26	-2.0	-86.12	293.07	4.44	-81.68
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000487584	1	36	-2.0	-92.17	339.05	7.35	-84.82
N#CC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000487585	1	36	-2.0	-94.77	338.37	7.34	-87.43
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000487586	0	32	-2.0	-92.31	315.06	5.46	-86.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)=CC=C1F	REAL300000487587	1	33	-2.0	-95.71	328.64	5.85	-89.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)C=C1	REAL300000487588	1	33	-2.0	-86.10	324.13	5.78	-80.32
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)=C1	REAL300000487589	1	33	-2.0	-97.56	324.16	5.77	-91.79
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)C=C1	REAL300000487590	1	37	-2.0	-85.27	355.56	7.13	-78.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000487591	1	36	-2.0	-99.23	344.20	6.48	-92.75
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)=C1	REAL300000487592	0	33	-2.0	-95.07	329.59	5.89	-89.18
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)=C1	REAL300000487593	0	30	-2.0	-93.33	317.31	4.79	-88.54
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(F)(F)F)C=C1	REAL300000487594	1	36	-2.0	-98.06	339.55	6.63	-91.43
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000487595	0	34	-2.0	-96.06	330.79	5.12	-90.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)=C1	REAL300000487596	0	33	-2.0	-87.88	333.22	5.52	-82.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)=CS1	REAL300000487597	0	30	-2.0	-94.54	315.78	4.82	-89.72
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000487598	0	33	-2.0	-91.65	327.15	4.98	-86.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000487599	0	33	-2.0	-96.85	332.73	5.67	-91.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)C=C1F	REAL300000487600	1	33	-2.0	-85.18	328.65	5.87	-79.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)S1	REAL300000487601	0	30	-2.0	-86.81	316.37	4.96	-81.85
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)=C1	REAL300000487602	0	33	-2.0	-88.15	330.52	5.90	-82.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)C(F)=C1	REAL300000487603	0	33	-2.0	-85.28	329.61	5.84	-79.44
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)=C1	REAL300000487604	0	34	-2.0	-97.13	333.83	3.56	-93.57
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)C(F)(F)F)C=C2)=C1	REAL300000487604	1	34	-2.0	-101.48	333.30	4.31	-97.17
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)C=C1	REAL300000487605	1	36	-2.0	-89.24	346.31	6.55	-82.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(F)(F)F)C=C1	REAL300000487606	1	36	-2.0	-94.91	337.94	6.56	-88.35
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(F)(F)F)C=C1	REAL300000487607	1	36	-2.0	-86.73	339.52	6.61	-80.12
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000487608	0	37	-2.0	-96.52	352.14	6.06	-90.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000487609	1	36	-2.0	-86.19	340.21	6.32	-79.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)=C1F	REAL300000487610	0	33	-2.0	-101.59	327.80	5.80	-95.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)=C1	REAL300000487611	0	32	-2.0	-95.26	320.32	3.96	-91.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)=C(Cl)O1	REAL300000487612	0	30	-2.0	-86.21	324.29	4.74	-81.47
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000487613	0	36	-2.0	-91.60	346.24	5.83	-85.77
CC1=CC(F)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(Cl)=C1	REAL300000487637	0	34	-2.0	-108.23	338.89	6.93	-101.30
CC1=CC(F)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(Cl)=C1	REAL300000487657	0	32	-2.0	-106.12	309.69	5.00	-101.12
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1	REAL300000487689	1	38	-2.0	-90.14	349.52	3.93	-86.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CC=C1F	REAL300000487690	1	31	-2.0	-106.46	297.60	5.37	-101.09
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC2=C1	REAL300000487691	0	39	-2.0	-107.48	352.68	6.42	-101.06
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487692	0	31	-2.0	-103.72	309.49	6.05	-97.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1	REAL300000487693	1	31	-2.0	-96.50	293.05	5.35	-91.15
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487694	1	31	-2.0	-108.99	293.06	5.34	-103.65
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC2=C1	REAL300000487695	0	35	-2.0	-114.32	321.21	5.14	-109.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CC=C1Br	REAL300000487696	1	31	-2.0	-104.35	309.31	5.83	-98.52
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1	REAL300000487697	1	35	-2.0	-96.16	324.51	6.63	-89.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1C(=O)[O-]	REAL300000487698	1	34	-2.0	-110.22	309.08	5.87	-104.35
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487699	0	31	-2.0	-104.46	306.14	5.91	-98.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CC=C1Cl	REAL300000487700	1	31	-2.0	-104.83	305.57	5.73	-99.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C(Cl)C=C1Cl	REAL300000487701	0	31	-2.0	-100.03	318.64	6.28	-93.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1C	REAL300000487702	1	37	-2.0	-111.55	325.46	6.65	-104.90
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487703	0	31	-2.0	-106.15	298.54	5.40	-100.75
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1	REAL300000487704	1	37	-2.0	-95.38	336.63	6.93	-88.45
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487705	0	28	-2.0	-103.24	286.25	4.35	-98.89
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC2=C1	REAL300000487706	1	34	-2.0	-109.65	308.50	6.12	-103.53
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1C(=O)[O-]	REAL300000487708	0	32	-2.0	-107.42	299.70	4.69	-102.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487710	0	31	-2.0	-99.35	302.18	5.02	-94.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CS1	REAL300000487712	0	28	-2.0	-104.74	284.71	4.37	-100.37
COC1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000487713	1	39	-2.0	-109.41	351.38	5.15	-104.26
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487715	1	41	-2.0	-113.57	348.32	7.95	-105.62
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC2=C1	REAL300000487716	1	40	-2.0	-111.87	346.96	7.34	-104.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC2=C1	REAL300000487717	1	37	-2.0	-107.92	323.21	7.07	-100.85
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC2=C1	REAL300000487718	0	38	-2.0	-115.10	343.50	5.91	-109.19
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3OC=CC3=C2)=C1	REAL300000487719	0	34	-2.0	-110.82	328.03	5.78	-105.04
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487719	1	33	-3.0	-184.21	321.47	5.90	-178.31
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487720	1	38	-2.0	-113.93	337.31	7.24	-106.69
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C(C(=O)[O-])O1	REAL300000487721	0	31	-2.0	-102.73	296.07	4.48	-98.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CC2=C1OCCO2	REAL300000487722	1	37	-2.0	-113.76	335.23	5.11	-108.65
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487723	0	35	-2.0	-110.09	322.05	4.44	-105.65
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C4OC=CC4=C3)C=C2C1	REAL300000487724	1	39	-2.0	-96.20	346.70	5.96	-90.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CC(Cl)=C1Cl	REAL300000487725	1	31	-2.0	-98.49	320.74	6.19	-92.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C(Cl)C=C1F	REAL300000487726	0	31	-2.0	-101.13	310.66	5.92	-95.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1Cl	REAL300000487727	1	35	-2.0	-93.34	340.16	6.16	-87.18
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1F	REAL300000487729	1	41	-2.0	-94.02	372.80	6.59	-87.43
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC2=C1	REAL300000487730	1	34	-2.0	-100.20	313.77	6.16	-94.04
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1F	REAL300000487732	1	35	-2.0	-94.31	330.36	5.69	-88.62
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C(C(=O)[O-])S1	REAL300000487734	0	31	-2.0	-105.97	302.76	5.22	-100.75
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487735	0	31	-2.0	-98.21	321.28	6.36	-91.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C(Cl)=C1	REAL300000487736	0	31	-2.0	-94.13	306.12	5.90	-88.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C(Br)=C1	REAL300000487737	0	31	-2.0	-93.56	309.46	6.03	-87.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1F	REAL300000487738	1	31	-2.0	-95.99	297.59	5.38	-90.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)S1	REAL300000487739	0	28	-2.0	-98.09	285.33	4.47	-93.62
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487740	1	31	-2.0	-99.85	299.47	5.41	-94.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1F	REAL300000487741	0	34	-2.0	-107.47	318.82	6.04	-101.43
COC1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000487742	0	35	-2.0	-98.82	333.37	5.96	-92.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C(F)=C1	REAL300000487743	0	31	-2.0	-95.94	298.53	5.41	-90.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1Cl	REAL300000487744	1	31	-2.0	-94.08	305.55	5.74	-88.34
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC2=C1	REAL300000487745	1	34	-2.0	-101.89	322.51	6.54	-95.35
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1	REAL300000487746	1	39	-2.0	-92.87	356.81	6.75	-86.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1Br	REAL300000487747	1	31	-2.0	-93.65	309.29	5.84	-87.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CC(F)=C1F	REAL300000487748	1	31	-2.0	-97.96	303.88	5.43	-92.53
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487749	0	33	-2.0	-93.94	321.25	6.01	-87.93
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487750	0	32	-2.0	-108.55	302.78	3.05	-105.50
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3OC=CC3=C2)=C1	REAL300000487750	1	32	-2.0	-105.29	291.79	3.94	-101.35
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1	REAL300000487751	1	34	-2.0	-99.98	315.23	6.12	-93.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CC(Cl)=C1F	REAL300000487752	1	31	-2.0	-99.36	313.77	5.87	-93.49
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2OC=CC2=C1	REAL300000487753	1	34	-2.0	-105.30	303.13	5.98	-99.32
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CC(C(=O)[O-])=C1F	REAL300000487754	1	34	-2.0	-107.81	317.90	5.99	-101.82
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CC(C(=O)[O-])=C1C	REAL300000487756	1	37	-2.0	-113.41	329.87	6.51	-106.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CC=C1[N+](=O)[O-]	REAL300000487757	0	33	-2.0	-107.30	319.62	6.44	-100.86
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487758	0	31	-2.0	-97.78	304.82	5.47	-92.31
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1C(=O)[O-]	REAL300000487760	0	34	-2.0	-107.27	314.54	5.94	-101.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1Cl	REAL300000487761	0	34	-2.0	-106.18	324.83	6.48	-99.70
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487762	0	34	-2.0	-114.01	318.10	6.03	-107.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1C(=O)[O-]	REAL300000487763	1	37	-2.0	-110.92	327.00	6.53	-104.39
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1CC(=O)[O-]	REAL300000487764	1	38	-2.0	-110.49	343.53	5.47	-105.02
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC2=C1	REAL300000487765	1	34	-2.0	-98.42	319.85	6.49	-91.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1C(F)(F)F	REAL300000487766	1	34	-2.0	-93.11	323.19	6.15	-86.96
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000487767	1	34	-2.0	-106.56	324.29	6.30	-100.26
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487768	1	31	-2.0	-101.68	314.36	5.95	-95.73
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1C(=O)[O-]	REAL300000487769	0	35	-2.0	-108.67	321.09	5.55	-103.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C(F)C(Cl)=C1F	REAL300000487771	0	31	-2.0	-96.41	318.65	5.90	-90.51
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1C(=O)[O-]	REAL300000487772	1	34	-2.0	-103.47	326.81	6.41	-97.06
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C(C(=O)[O-])S1	REAL300000487773	0	40	-2.0	-105.78	342.53	7.47	-98.31
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1C(=O)[O-]	REAL300000487774	0	35	-2.0	-110.00	333.39	5.97	-104.03
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CC=C1C(=O)[O-]	REAL300000487775	1	34	-2.0	-96.63	309.07	5.88	-90.75
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C([N+](=O)[O-])=C1	REAL300000487776	0	36	-2.0	-101.95	336.33	7.53	-94.42
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC2=C1	REAL300000487777	1	34	-2.0	-106.95	313.02	6.16	-100.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1[N+](=O)[O-]	REAL300000487778	0	33	-2.0	-116.50	316.81	7.20	-109.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1F	REAL300000487779	0	31	-2.0	-113.30	296.73	5.37	-107.93
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C1C(=O)[O-]	REAL300000487780	1	34	-2.0	-101.65	318.00	6.02	-95.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=CC2=CC=CC=C21	REAL300000487781	1	37	-2.0	-117.26	334.10	7.46	-109.80
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C1	REAL300000487782	0	30	-2.0	-106.63	289.28	3.46	-103.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OC=CC2=C1	REAL300000487783	0	35	-2.0	-100.81	321.26	5.14	-95.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)=C(Cl)O1	REAL300000487784	0	28	-2.0	-96.54	293.21	4.32	-92.22
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4OC=CC4=C3)C=C2)CC1	REAL300000487785	1	38	-2.0	-103.10	339.19	7.23	-95.87
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4OC=CC4=C3)C=C2C1	REAL300000487786	1	38	-2.0	-106.92	338.51	7.23	-99.69
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC=CC3=C2)C=C(C(=O)[O-])O1	REAL300000487787	0	34	-2.0	-102.56	315.20	5.33	-97.23
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1	REAL300000487788	0	36	-2.0	-86.00	339.11	0.85	-85.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC=C1F	REAL300000487789	0	29	-2.0	-102.73	287.17	2.29	-100.44
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1O	REAL300000487790	0	37	-2.0	-101.75	342.26	3.34	-98.41
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487791	0	29	-2.0	-98.05	299.06	2.98	-95.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1	REAL300000487792	0	29	-2.0	-92.17	282.63	2.27	-89.90
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487793	0	29	-2.0	-103.32	282.64	2.26	-101.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1O	REAL300000487794	0	33	-2.0	-107.91	310.78	2.06	-105.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC=C1Br	REAL300000487795	0	29	-2.0	-100.38	298.88	2.75	-97.63
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1	REAL300000487796	0	33	-2.0	-91.88	314.10	3.55	-88.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000487797	0	32	-2.0	-104.19	298.66	2.79	-101.40
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487798	0	29	-2.0	-98.72	295.71	2.84	-95.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC=C1Cl	REAL300000487799	0	29	-2.0	-100.89	295.14	2.65	-98.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C(Cl)C=C1Cl	REAL300000487800	0	29	-2.0	-94.47	308.20	3.21	-91.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1C	REAL300000487801	0	35	-2.0	-105.16	315.75	3.59	-101.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487802	0	29	-2.0	-100.47	288.12	2.32	-98.15
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1	REAL300000487803	0	35	-2.0	-91.12	326.22	3.84	-87.28
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487804	0	26	-2.0	-98.07	275.82	1.28	-96.79
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1O	REAL300000487805	0	32	-2.0	-103.39	298.08	3.04	-100.35
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1	REAL300000487806	0	33	-2.0	-90.40	313.72	2.54	-87.86
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3O)C=C2)C1	REAL300000487807	0	40	-2.0	-87.23	359.50	3.31	-83.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C(Br)S1	REAL300000487808	0	26	-2.0	-95.62	292.85	2.05	-93.57
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000487809	0	30	-2.0	-103.16	289.29	1.60	-101.56
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1O	REAL300000487810	0	33	-2.0	-105.86	306.42	1.10	-104.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487811	0	29	-2.0	-95.23	291.77	1.94	-93.29
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000487812	0	35	-2.0	-106.37	314.10	3.57	-102.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CS1	REAL300000487813	0	26	-2.0	-99.37	274.29	1.29	-98.08
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC(C(=O)[O-])=C1OC	REAL300000487814	0	37	-2.0	-105.54	340.97	2.07	-103.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000487815	0	33	-2.0	-110.82	309.93	2.33	-108.49
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487816	0	39	-2.0	-107.09	337.88	4.89	-102.20
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1O	REAL300000487817	0	38	-2.0	-105.36	336.54	4.27	-101.09
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1O	REAL300000487818	0	35	-2.0	-103.45	312.77	3.98	-99.47
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1O	REAL300000487819	0	36	-2.0	-108.86	333.07	2.81	-106.05
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487820	0	31	-3.0	-178.71	311.04	2.82	-175.89
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(F)=C2O)=C1	REAL300000487820	1	32	-2.0	-104.59	311.00	2.77	-101.82
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487821	0	36	-2.0	-107.38	326.88	4.15	-103.23
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C(C(=O)[O-])O1	REAL300000487822	0	29	-2.0	-97.32	285.65	1.39	-95.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC2=C1OCCO2	REAL300000487823	0	35	-2.0	-109.62	324.80	2.03	-107.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487824	0	33	-2.0	-104.75	311.56	1.34	-103.41
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3O)C=C2C1	REAL300000487825	0	37	-2.0	-90.32	335.57	2.85	-87.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC(Cl)=C1Cl	REAL300000487826	0	29	-2.0	-94.65	310.32	3.10	-91.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C(Cl)C=C1F	REAL300000487827	0	29	-2.0	-95.68	300.23	2.85	-92.83
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1Cl	REAL300000487828	0	33	-2.0	-88.97	329.74	3.08	-85.89
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC=C1OCC(=O)[O-]	REAL300000487829	0	36	-2.0	-90.85	333.80	3.25	-87.60
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1F	REAL300000487830	0	39	-2.0	-89.69	362.38	3.51	-86.18
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1O	REAL300000487831	0	32	-2.0	-94.55	303.36	3.07	-91.48
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC=C1OCCCC(=O)[O-]	REAL300000487832	0	42	-2.0	-91.00	376.25	4.18	-86.82
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1F	REAL300000487833	0	33	-2.0	-89.96	319.93	2.61	-87.35
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000487834	0	36	-2.0	-109.69	331.79	3.24	-106.45
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C(C(=O)[O-])S1	REAL300000487835	0	29	-2.0	-101.80	292.33	2.13	-99.67
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487836	0	29	-2.0	-92.89	310.87	3.28	-89.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C(Cl)=C1	REAL300000487837	0	29	-2.0	-89.77	295.69	2.83	-86.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C(Br)=C1	REAL300000487838	0	29	-2.0	-89.22	299.04	2.96	-86.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1F	REAL300000487839	0	29	-2.0	-91.70	287.15	2.30	-89.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)S1	REAL300000487840	0	26	-2.0	-94.03	274.90	1.38	-92.65
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487841	0	29	-2.0	-94.64	289.06	2.32	-92.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1F	REAL300000487842	0	32	-2.0	-101.65	308.39	2.95	-98.70
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000487843	0	33	-2.0	-94.24	322.94	2.89	-91.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C(F)=C1	REAL300000487844	0	29	-2.0	-91.75	288.10	2.33	-89.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1Cl	REAL300000487845	0	29	-2.0	-89.72	295.12	2.66	-87.06
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1O	REAL300000487846	0	32	-2.0	-97.57	312.08	3.45	-94.12
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1	REAL300000487847	0	37	-2.0	-88.69	346.38	3.67	-85.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1Br	REAL300000487848	0	29	-2.0	-89.28	298.86	2.76	-86.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC(F)=C1F	REAL300000487849	0	29	-2.0	-94.33	293.46	2.34	-91.99
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487850	0	31	-2.0	-89.96	310.83	2.92	-87.04
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487851	0	30	-2.0	-102.10	292.36	-0.03	-102.13
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1	REAL300000487852	0	32	-2.0	-96.71	304.82	3.03	-93.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC(Cl)=C1F	REAL300000487853	0	29	-2.0	-95.73	303.35	2.78	-92.95
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1O	REAL300000487854	0	32	-2.0	-101.44	292.68	2.89	-98.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC(C(=O)[O-])=C1F	REAL300000487855	0	32	-2.0	-102.20	307.47	2.91	-99.29
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1O	REAL300000487856	0	32	-2.0	-91.95	298.05	3.03	-88.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC(C(=O)[O-])=C1C	REAL300000487857	0	35	-2.0	-107.80	316.10	3.33	-104.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC=C1[N+](=O)[O-]	REAL300000487858	0	31	-2.0	-103.83	309.19	3.36	-100.47
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487859	0	29	-2.0	-92.68	294.37	2.38	-90.30
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)S1	REAL300000487860	0	26	-2.0	-91.77	295.22	1.94	-89.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C(C)=C1C(=O)[O-]	REAL300000487861	0	35	-2.0	-105.56	317.12	3.65	-101.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000487862	0	32	-2.0	-101.27	304.12	2.86	-98.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1Cl	REAL300000487863	0	32	-2.0	-100.21	314.42	3.40	-96.81
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487864	0	32	-2.0	-110.25	307.65	2.95	-107.30
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000487865	0	35	-2.0	-104.90	316.96	3.45	-101.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1CC(=O)[O-]	REAL300000487866	0	36	-2.0	-104.78	333.11	2.39	-102.39
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1O	REAL300000487867	0	32	-2.0	-93.43	308.90	3.44	-89.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1C(F)(F)F	REAL300000487868	0	32	-2.0	-88.67	312.75	3.07	-85.60
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000487869	0	32	-2.0	-100.89	313.86	3.21	-97.68
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487870	0	29	-2.0	-96.38	303.94	2.86	-93.52
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000487871	0	33	-2.0	-103.07	310.59	2.46	-100.61
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C(C)=C1CC(=O)[O-]	REAL300000487872	0	41	-2.0	-104.09	347.79	5.13	-98.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C(F)C(Cl)=C1F	REAL300000487873	0	29	-2.0	-91.50	308.24	2.82	-88.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C(OC(F)(F)F)=C1	REAL300000487874	0	33	-2.0	-91.31	327.34	2.55	-88.76
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000487875	0	32	-2.0	-98.15	312.51	3.22	-94.93
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C(C(=O)[O-])S1	REAL300000487876	0	38	-2.0	-101.71	332.08	4.38	-97.33
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000487877	0	33	-2.0	-104.04	322.96	2.89	-101.15
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC=C1C(=O)[O-]	REAL300000487878	0	32	-2.0	-92.23	298.65	2.80	-89.43
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C([N+](=O)[O-])=C1	REAL300000487879	0	34	-2.0	-96.50	325.89	4.45	-92.05
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1O	REAL300000487880	0	32	-2.0	-100.95	302.59	3.07	-97.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1[N+](=O)[O-]	REAL300000487881	0	31	-2.0	-112.87	306.36	4.11	-108.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1F	REAL300000487882	0	29	-2.0	-109.70	286.28	2.27	-107.43
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000487883	0	32	-2.0	-96.49	303.81	2.82	-93.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC2=CC=CC=C21	REAL300000487884	0	35	-2.0	-111.25	323.68	4.38	-106.87
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487885	0	28	-2.0	-102.35	278.85	0.37	-101.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1O	REAL300000487886	0	33	-2.0	-95.88	310.84	2.05	-93.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C(Cl)O1	REAL300000487887	0	26	-2.0	-91.87	282.74	1.22	-90.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=CC=C1OC(F)(F)F	REAL300000487888	0	33	-2.0	-100.34	326.42	2.81	-97.53
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)=C1	REAL300000487889	0	32	-2.0	-95.72	325.96	-0.71	-96.43
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3O)C=C2)CC1	REAL300000487890	0	36	-2.0	-97.79	328.77	4.14	-93.65
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(F)=C3O)C=C2C1	REAL300000487891	0	36	-2.0	-102.21	326.72	4.12	-98.09
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2O)C=C(C(=O)[O-])O1	REAL300000487892	0	32	-2.0	-96.79	304.77	2.24	-94.55
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CC2CC2)C2=CC=CC(F)=C2)=C1	REAL300000487916	0	41	-2.0	-106.78	364.06	9.03	-97.75
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CC2CC2)C2=CC=CC(F)=C2)=C1	REAL300000487935	0	39	-2.0	-106.93	347.84	7.44	-99.49
CCOC1=CC=C(N(CC2CC2)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000487981	0	46	-2.0	-109.98	383.69	7.72	-102.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300000487991	0	32	-3.0	-186.10	313.54	3.73	-182.37
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300000487991	1	33	-2.0	-92.47	311.56	3.83	-88.64
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300000487991	1	33	-2.0	-92.45	311.58	3.83	-88.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300000487991	1	32	-3.0	-186.06	313.58	3.74	-182.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300000487992	0	32	-3.0	-174.66	309.00	3.71	-170.95
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300000487992	1	33	-2.0	-95.99	306.99	3.81	-92.18
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300000487992	1	33	-2.0	-95.96	307.02	3.81	-92.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300000487992	1	32	-3.0	-174.60	309.03	3.72	-170.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000487993	0	32	-3.0	-189.88	309.01	3.70	-186.18
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000487993	1	33	-2.0	-113.57	307.21	3.79	-109.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000487993	1	32	-3.0	-189.81	309.05	3.71	-186.10
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000487993	1	33	-2.0	-113.52	307.23	3.79	-109.73
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300000487994	0	36	-3.0	-190.62	337.15	3.50	-187.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300000487994	1	36	-3.0	-190.60	337.19	3.51	-187.09
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300000487995	0	36	-3.0	-171.37	340.46	5.00	-166.37
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300000487995	1	37	-2.0	-93.94	338.46	5.09	-88.85
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300000487995	1	37	-2.0	-93.91	338.48	5.09	-88.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000487996	0	35	-3.0	-193.72	329.08	4.35	-189.37
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000487996	1	36	-2.0	-92.37	323.04	4.33	-88.04
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300000487996	1	36	-2.0	-92.35	323.05	4.33	-88.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300000487996	1	35	-3.0	-193.69	329.12	4.36	-189.33
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000487997	0	32	-3.0	-180.36	322.08	4.28	-176.08
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000487997	1	32	-3.0	-180.26	322.12	4.28	-175.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300000487998	0	32	-3.0	-185.18	321.51	4.10	-181.08
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300000487998	1	33	-2.0	-89.97	319.54	4.19	-85.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300000487998	1	32	-3.0	-185.11	321.55	4.11	-181.00
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300000487998	1	33	-2.0	-89.96	319.56	4.19	-85.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300000487999	0	38	-3.0	-187.12	341.40	5.01	-182.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300000487999	1	39	-2.0	-91.05	337.73	5.30	-85.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300000487999	1	39	-2.0	-91.04	337.77	5.30	-85.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300000487999	1	38	-3.0	-187.06	341.44	5.02	-182.04
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488000	0	32	-3.0	-183.62	314.48	3.77	-179.85
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000488000	1	32	-3.0	-183.54	314.51	3.78	-179.76
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300000488001	0	38	-3.0	-170.30	352.58	5.28	-165.02
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300000488001	1	39	-2.0	-93.17	350.70	5.39	-87.78
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300000488001	1	38	-3.0	-170.26	352.62	5.30	-164.96
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488002	0	29	-3.0	-183.16	302.20	2.72	-180.44
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000488002	1	29	-3.0	-183.10	302.23	2.73	-180.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300000488003	0	35	-3.0	-184.77	324.44	4.48	-180.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300000488003	1	36	-2.0	-90.11	320.24	4.75	-85.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300000488003	1	36	-2.0	-90.11	320.27	4.75	-85.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300000488003	1	35	-3.0	-184.70	324.47	4.49	-180.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300000488004	0	36	-3.0	-170.56	340.08	3.99	-166.57
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300000488004	1	37	-2.0	-93.89	338.16	4.09	-89.80
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300000488004	1	37	-2.0	-94.01	338.14	4.08	-89.93
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488005	0	33	-3.0	-187.94	315.66	3.05	-184.89
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300000488005	1	33	-3.0	-187.87	315.69	3.06	-184.81
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300000488006	0	37	-2.0	-91.46	329.12	2.78	-88.68
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300000488006	1	36	-3.0	-184.07	333.21	2.52	-181.55
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300000488006	1	37	-2.0	-91.50	329.08	2.78	-88.72
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488007	0	32	-3.0	-178.74	318.12	3.39	-175.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000488007	1	32	-3.0	-178.66	318.15	3.40	-175.26
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488008	0	38	-3.0	-186.63	340.46	5.01	-181.62
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300000488008	1	39	-2.0	-91.91	340.14	5.39	-86.52
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488008	1	39	-2.0	-91.95	340.12	5.39	-86.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300000488009	0	29	-3.0	-184.65	300.66	2.74	-181.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300000488009	1	29	-3.0	-184.59	300.70	2.75	-181.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488010	0	36	-3.0	-196.21	336.29	3.77	-192.44
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300000488010	1	37	-2.0	-120.11	334.38	3.87	-116.24
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488010	1	37	-2.0	-120.23	334.36	3.87	-116.36
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488011	0	42	-3.0	-190.61	364.25	6.33	-184.28
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488011	1	43	-2.0	-97.26	360.70	6.03	-91.23
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000488011	1	43	-2.0	-97.18	360.74	6.03	-91.15
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300000488012	0	41	-3.0	-186.36	361.56	5.76	-180.60
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300000488012	1	42	-2.0	-96.91	359.79	5.43	-91.48
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300000488012	1	41	-3.0	-186.30	361.60	5.76	-180.54
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300000488013	0	38	-3.0	-180.42	334.19	5.56	-174.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300000488013	1	39	-2.0	-95.70	335.63	4.93	-90.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300000488013	1	39	-2.0	-95.66	335.66	4.93	-90.73
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300000488014	0	39	-3.0	-197.81	359.44	4.27	-193.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300000488014	1	39	-3.0	-197.73	359.48	4.28	-193.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300000488015	0	34	-4.0	-283.72	337.41	4.27	-279.45
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300000488015	1	35	-3.0	-173.65	335.41	4.35	-169.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300000488015	1	34	-4.0	-283.66	337.45	4.28	-279.38
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300000488015	1	35	-3.0	-173.58	335.43	4.35	-169.23
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488016	0	39	-3.0	-190.73	353.26	5.60	-185.13
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488016	1	40	-2.0	-97.66	350.26	5.32	-92.34
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000488016	1	40	-2.0	-97.55	350.29	5.32	-92.23
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL300000488017	0	32	-3.0	-178.42	312.02	2.84	-175.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL300000488017	1	32	-3.0	-178.32	312.05	2.86	-175.46
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488018	0	36	-3.0	-198.05	337.93	2.79	-195.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000488018	1	36	-3.0	-197.98	337.96	2.80	-195.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(Cl)C=C1F	REAL300000488019	0	32	-3.0	-176.04	326.60	4.30	-171.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(Cl)C=C1F	REAL300000488019	1	32	-3.0	-175.98	326.64	4.31	-171.67
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300000488020	0	39	-3.0	-171.41	360.15	4.69	-166.72
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OCC(=O)[O-]	REAL300000488020	1	40	-2.0	-93.86	358.30	4.79	-89.07
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300000488020	1	40	-2.0	-93.91	358.28	4.79	-89.12
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300000488021	0	35	-3.0	-175.95	329.72	4.52	-171.43
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300000488021	1	35	-3.0	-175.89	329.75	4.52	-171.37
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300000488021	1	36	-2.0	-86.46	325.45	4.78	-81.68
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300000488022	0	36	-3.0	-169.31	346.30	4.05	-165.26
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300000488022	1	37	-2.0	-93.09	344.44	4.15	-88.94
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300000488022	1	36	-3.0	-169.26	346.34	4.06	-165.20
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488023	0	39	-3.0	-197.14	358.14	4.68	-192.46
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300000488023	1	40	-2.0	-98.49	356.24	4.78	-93.71
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488023	1	40	-2.0	-98.48	356.22	4.78	-93.70
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL300000488024	0	32	-3.0	-181.04	317.63	3.60	-177.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL300000488024	1	32	-3.0	-180.95	317.67	3.61	-177.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300000488025	0	32	-3.0	-172.00	322.06	4.27	-167.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300000488025	1	32	-3.0	-171.94	322.10	4.28	-167.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300000488026	0	32	-3.0	-173.61	313.52	3.74	-169.87
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300000488026	1	33	-2.0	-95.11	311.53	3.84	-91.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300000488026	1	32	-3.0	-173.55	313.56	3.75	-169.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300000488027	0	29	-3.0	-177.07	301.26	2.83	-174.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300000488027	1	29	-3.0	-177.04	301.30	2.84	-174.20
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488028	0	32	-3.0	-179.98	315.43	3.77	-176.21
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000488028	1	32	-3.0	-179.91	315.46	3.78	-176.13
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488028	1	33	-2.0	-87.89	313.54	3.87	-84.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300000488029	0	35	-3.0	-185.70	334.77	4.41	-181.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300000488029	1	35	-3.0	-185.66	334.80	4.42	-181.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300000488030	0	32	-3.0	-175.60	314.47	3.77	-171.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300000488030	1	32	-3.0	-175.62	314.51	3.79	-171.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300000488031	0	32	-3.0	-172.10	321.49	4.11	-167.99
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300000488031	1	33	-2.0	-92.83	319.50	4.19	-88.64
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300000488031	1	33	-2.0	-92.85	319.53	4.19	-88.66
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300000488032	0	35	-3.0	-177.51	338.45	4.90	-172.61
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300000488032	1	36	-2.0	-86.65	334.18	5.17	-81.48
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300000488032	1	35	-3.0	-177.46	338.49	4.92	-172.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(F)=C1F	REAL300000488033	0	32	-3.0	-177.06	319.83	3.80	-173.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(F)=C1F	REAL300000488033	1	32	-3.0	-177.01	319.86	3.81	-173.20
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(F)=C1F	REAL300000488033	1	33	-2.0	-104.28	317.85	3.89	-100.39
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488034	0	34	-3.0	-173.82	337.20	4.37	-169.45
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000488034	1	34	-3.0	-173.71	337.24	4.38	-169.33
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488035	0	33	-3.0	-181.29	318.72	1.41	-179.88
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000488035	1	33	-3.0	-181.18	318.76	1.43	-179.75
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300000488036	0	35	-3.0	-175.46	331.18	4.48	-170.98
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300000488036	1	36	-2.0	-94.39	329.30	4.59	-89.80
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300000488036	1	35	-3.0	-175.39	331.22	4.49	-170.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(Cl)=C1F	REAL300000488037	0	32	-3.0	-178.96	329.72	4.23	-174.73
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(Cl)=C1F	REAL300000488037	1	33	-2.0	-105.18	327.73	4.32	-100.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(Cl)=C1F	REAL300000488037	1	32	-3.0	-178.90	329.75	4.25	-174.65
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(Cl)=C1F	REAL300000488037	1	33	-2.0	-105.24	327.75	4.32	-100.92
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300000488038	0	35	-3.0	-191.06	319.05	4.34	-186.72
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300000488038	1	36	-2.0	-113.54	315.84	4.58	-108.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300000488038	1	36	-2.0	-113.45	315.87	4.58	-108.87
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1F	REAL300000488039	0	35	-3.0	-188.19	333.85	4.35	-183.84
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1F	REAL300000488039	1	36	-2.0	-93.32	331.87	4.45	-88.87
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1F	REAL300000488039	1	36	-2.0	-93.27	331.89	4.45	-88.82
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1F	REAL300000488039	1	35	-3.0	-188.12	333.89	4.37	-183.75
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300000488040	0	35	-3.0	-173.97	324.42	4.48	-169.49
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300000488040	1	36	-2.0	-94.29	321.44	4.70	-89.59
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300000488040	1	36	-2.0	-94.36	321.41	4.70	-89.66
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1C	REAL300000488041	0	38	-3.0	-195.83	346.51	4.90	-190.93
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1C	REAL300000488041	1	39	-2.0	-115.35	339.79	4.86	-110.49
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1C	REAL300000488041	1	39	-2.0	-115.34	339.81	4.86	-110.48
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1C	REAL300000488041	1	38	-3.0	-195.77	346.54	4.91	-190.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300000488042	0	34	-3.0	-185.86	335.57	4.79	-181.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300000488042	1	34	-3.0	-185.79	335.60	4.80	-180.99
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488043	0	32	-3.0	-176.03	320.74	3.83	-172.20
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000488043	1	32	-3.0	-175.97	320.78	3.84	-172.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1C(=O)[O-]	REAL300000488044	0	38	-3.0	-196.28	343.49	5.09	-191.19
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1C(=O)[O-]	REAL300000488044	1	39	-2.0	-118.56	339.41	5.35	-113.21
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1C(=O)[O-]	REAL300000488044	1	39	-2.0	-118.61	339.38	5.35	-113.26
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488045	0	35	-3.0	-186.51	334.32	4.39	-182.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300000488045	1	35	-3.0	-186.47	334.36	4.41	-182.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300000488046	0	35	-3.0	-182.65	340.77	4.84	-177.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300000488046	1	35	-3.0	-182.56	340.81	4.85	-177.71
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488047	0	35	-3.0	-201.76	334.04	4.39	-197.37
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000488047	1	35	-3.0	-201.68	334.08	4.41	-197.27
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488048	0	38	-3.0	-193.00	343.33	4.89	-188.11
CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488048	1	39	-2.0	-92.49	341.37	4.99	-87.50
CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300000488048	1	39	-2.0	-92.51	341.39	4.99	-87.52
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1CC(=O)[O-]	REAL300000488049	0	39	-3.0	-199.57	359.47	3.83	-195.74
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1CC(=O)[O-]	REAL300000488049	1	40	-2.0	-120.42	357.60	3.93	-116.49
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1CC(=O)[O-]	REAL300000488049	1	40	-2.0	-120.37	357.63	3.93	-116.44
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300000488050	0	35	-3.0	-182.60	335.27	4.89	-177.71
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300000488050	1	36	-2.0	-105.23	332.53	5.09	-100.14
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300000488050	1	35	-3.0	-182.53	335.31	4.89	-177.64
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1Cl	REAL300000488051	0	35	-3.0	-187.70	340.24	4.66	-183.04
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1Cl	REAL300000488051	1	36	-2.0	-91.02	338.26	4.76	-86.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1Cl	REAL300000488051	1	35	-3.0	-187.61	340.28	4.67	-182.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488052	0	36	-3.0	-189.70	337.03	3.91	-185.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300000488052	1	36	-3.0	-189.61	337.07	3.93	-185.68
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488053	0	35	-3.0	-184.67	342.78	4.77	-179.90
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488053	1	36	-2.0	-105.03	336.51	4.73	-100.30
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300000488053	1	35	-3.0	-184.59	342.82	4.78	-179.81
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300000488054	0	35	-3.0	-175.35	325.02	4.25	-171.10
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300000488054	1	36	-2.0	-98.46	326.19	4.40	-94.06
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300000488054	1	36	-2.0	-98.41	326.21	4.40	-94.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300000488054	1	35	-3.0	-175.23	325.05	4.26	-170.97
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300000488055	0	35	-3.0	-181.04	328.54	4.54	-176.50
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300000488055	1	36	-2.0	-89.77	324.86	4.77	-85.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300000488055	1	36	-2.0	-89.78	324.84	4.77	-85.01
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300000488056	0	34	-3.0	-203.28	332.73	5.56	-197.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300000488056	1	34	-3.0	-203.17	332.77	5.56	-197.61
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300000488057	0	32	-3.0	-200.32	312.65	3.73	-196.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300000488057	1	32	-3.0	-200.32	312.68	3.74	-196.58
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488058	0	35	-3.0	-182.56	333.97	4.38	-178.18
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000488058	1	36	-2.0	-103.54	327.81	4.34	-99.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300000488058	1	35	-3.0	-182.51	334.00	4.39	-178.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300000488059	0	38	-3.0	-200.99	350.05	5.82	-195.17
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300000488059	1	39	-2.0	-123.32	347.66	5.89	-117.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300000488059	1	38	-3.0	-200.93	350.08	5.83	-195.10
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300000488060	0	31	-3.0	-180.46	306.00	1.77	-178.69
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300000488060	1	31	-3.0	-180.35	306.04	1.77	-178.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300000488061	0	36	-3.0	-179.05	337.22	3.50	-175.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300000488061	1	36	-3.0	-178.99	337.25	3.51	-175.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(Cl)O1	REAL300000488062	0	29	-3.0	-173.55	309.12	2.69	-170.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(Cl)O1	REAL300000488062	1	29	-3.0	-173.47	309.14	2.69	-170.78
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300000488063	0	39	-3.0	-179.14	355.14	5.58	-173.56
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300000488063	1	40	-2.0	-103.65	353.22	5.69	-97.96
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2)CC1	REAL300000488063	1	39	-3.0	-179.10	355.17	5.59	-173.51
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300000488064	0	39	-3.0	-180.54	354.45	5.60	-174.94
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300000488064	1	40	-2.0	-100.12	351.17	5.67	-94.45
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2C1	REAL300000488064	1	39	-3.0	-180.50	354.49	5.59	-174.91
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL300000488065	0	35	-3.0	-175.90	327.06	3.82	-172.08
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL300000488065	1	35	-3.0	-175.81	327.11	3.83	-171.98
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488068	1	34	-2.0	-121.21	316.64	4.85	-116.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC(=O)C2=C1	REAL300000488069	0	38	-2.0	-124.95	344.78	4.64	-120.31
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C=C1	REAL300000488070	1	38	-2.0	-107.84	348.10	6.14	-101.70
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488072	0	34	-2.0	-115.30	329.71	5.42	-109.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=CC=C1Cl	REAL300000488073	1	34	-2.0	-117.06	329.16	5.24	-111.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1C	REAL300000488074	1	40	-2.0	-122.26	349.32	6.19	-116.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488075	0	34	-2.0	-117.24	322.12	4.91	-112.33
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C=C1	REAL300000488076	1	40	-2.0	-107.64	360.22	6.44	-101.20
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488077	0	31	-2.0	-115.59	309.82	3.87	-111.72
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC(=O)C2=C1	REAL300000488078	1	37	-2.0	-120.07	332.07	5.63	-114.44
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000488080	1	35	-2.0	-119.80	323.29	4.19	-115.61
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488082	0	34	-2.0	-111.82	325.76	4.53	-107.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=CS1	REAL300000488084	0	31	-2.0	-117.01	308.29	3.89	-113.12
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488086	1	44	-2.0	-124.00	371.88	7.47	-116.53
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC(=O)C2=C1	REAL300000488087	1	43	-2.0	-122.15	370.54	6.86	-115.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC(=O)C2=C1	REAL300000488088	1	40	-2.0	-117.81	346.77	6.57	-111.24
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC(=O)C2=C1	REAL300000488089	0	41	-2.0	-127.35	367.07	5.41	-121.94
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488090	0	37	-2.0	-120.96	347.52	5.42	-115.54
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488090	1	36	-3.0	-198.83	345.04	5.41	-193.42
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488091	1	41	-2.0	-124.37	360.88	6.74	-117.63
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000488092	0	34	-2.0	-113.97	319.65	3.99	-109.98
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488093	0	38	-2.0	-122.95	345.62	3.93	-119.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C(Cl)C=C1F	REAL300000488094	0	34	-2.0	-112.04	334.23	5.44	-106.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC(=O)C2=C1	REAL300000488096	1	37	-2.0	-111.10	337.35	5.66	-105.44
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C=C1F	REAL300000488097	1	38	-2.0	-106.13	353.95	5.20	-100.93
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000488099	1	34	-2.0	-116.81	325.24	4.74	-112.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C(Cl)=C1	REAL300000488100	0	34	-2.0	-106.45	329.69	5.41	-101.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C=C1F	REAL300000488101	1	34	-2.0	-108.40	321.17	4.89	-103.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)S1	REAL300000488102	0	31	-2.0	-110.60	308.91	3.98	-106.62
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488103	1	34	-2.0	-112.15	323.04	4.91	-107.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1F	REAL300000488104	0	37	-2.0	-118.72	342.39	5.55	-113.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C(F)=C1	REAL300000488105	0	34	-2.0	-108.66	322.10	4.92	-103.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C=C1Cl	REAL300000488106	1	34	-2.0	-106.49	329.14	5.25	-101.24
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC(=O)C2=C1	REAL300000488107	1	37	-2.0	-112.66	346.08	6.05	-106.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=CC(F)=C1F	REAL300000488108	1	34	-2.0	-110.36	327.46	4.94	-105.42
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488109	1	36	-2.0	-106.31	344.84	5.52	-100.79
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488110	0	35	-2.0	-118.35	326.35	2.56	-115.79
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488110	1	35	-2.0	-116.08	315.37	3.44	-112.64
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C=C1	REAL300000488111	1	37	-2.0	-114.68	338.82	5.63	-109.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=CC(Cl)=C1F	REAL300000488112	1	34	-2.0	-111.74	337.35	5.38	-106.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=CC=C1[N+](=O)[O-]	REAL300000488117	0	36	-2.0	-119.66	343.20	5.94	-113.72
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488118	0	34	-2.0	-109.33	328.39	4.97	-104.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000488120	0	37	-2.0	-119.57	341.96	5.54	-114.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1Cl	REAL300000488121	0	37	-2.0	-117.12	348.42	5.98	-111.14
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488122	0	37	-2.0	-128.17	341.68	5.54	-122.63
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2NC=CC(=O)C2=C1	REAL300000488125	1	37	-2.0	-111.76	342.90	6.03	-105.73
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000488126	1	37	-2.0	-118.88	347.86	5.80	-113.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000488127	1	38	-2.0	-121.11	344.67	5.06	-116.05
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000488128	1	37	-2.0	-115.93	350.38	5.92	-110.01
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1[N+](=O)[O-]	REAL300000488131	0	36	-2.0	-130.55	340.36	6.70	-123.85
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1F	REAL300000488132	0	34	-2.0	-127.31	320.30	4.88	-122.43
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000488133	1	37	-2.0	-114.12	341.58	5.52	-108.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=CC2=CC=CC=C21	REAL300000488134	1	40	-2.0	-129.64	357.68	6.97	-122.67
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C1	REAL300000488135	0	33	-2.0	-116.31	313.62	2.90	-113.41
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC=CC(=O)C2=C1	REAL300000488136	0	38	-2.0	-112.95	344.84	4.64	-108.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)=C(Cl)O1	REAL300000488137	0	31	-2.0	-108.41	316.79	3.82	-104.59
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4NC=CC(=O)C4=C3)C=C2)CC1	REAL300000488138	1	41	-2.0	-114.40	362.77	6.73	-107.67
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4NC=CC(=O)C4=C3)C=C2C1	REAL300000488139	1	41	-2.0	-121.00	362.10	6.74	-114.26
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC=CC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000488140	0	37	-2.0	-113.38	338.77	4.84	-108.54
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488141	1	41	-2.0	-110.40	374.30	5.57	-104.83
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1	REAL300000488144	0	35	-2.0	-114.85	328.02	5.19	-109.66
O=C([O-])CC(=O)NC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300000488145	0	38	-2.0	-101.27	355.64	4.60	-96.67
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1	REAL300000488146	0	34	-2.0	-99.54	331.39	3.55	-95.99
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488147	1	36	-2.0	-104.47	340.36	5.32	-99.15
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1	REAL300000488148	1	36	-2.0	-100.98	340.33	5.32	-95.66
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1	REAL300000488149	0	35	-2.0	-105.00	341.76	5.51	-99.49
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488150	0	36	-2.0	-115.62	337.64	5.20	-110.42
O=C([O-])CC(=O)NC1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000488151	0	38	-2.0	-111.74	355.16	5.47	-106.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000488152	1	40	-2.0	-106.03	366.39	6.23	-99.80
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488153	0	38	-2.0	-103.09	335.75	2.76	-100.33
O=C([O-])CC(=O)NC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000488155	0	38	-2.0	-104.61	354.42	5.37	-99.24
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488156	0	43	-2.0	-115.07	377.26	3.99	-111.08
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1OC	REAL300000488157	1	43	-2.0	-106.47	378.24	4.12	-102.35
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488159	0	37	-2.0	-99.54	332.62	3.88	-95.66
O=C([O-])CC(=O)NC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000488160	0	38	-2.0	-105.33	354.45	5.35	-99.98
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000488160	1	37	-3.0	-174.46	347.99	5.47	-168.99
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300000488161	1	35	-2.0	-98.65	332.22	5.04	-93.61
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488162	1	38	-2.0	-108.60	340.94	5.59	-103.01
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1	REAL300000488164	1	35	-2.0	-104.42	336.25	5.44	-98.98
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1	REAL300000488165	1	40	-2.0	-106.37	359.98	5.32	-101.05
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1	REAL300000488168	1	35	-2.0	-98.88	342.11	5.48	-93.40
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488169	1	40	-2.0	-116.75	362.31	5.40	-111.35
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488171	0	41	-2.0	-119.41	364.91	6.29	-113.12
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1	REAL300000488175	0	32	-2.0	-101.12	328.51	4.54	-96.58
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488177	0	39	-2.0	-114.03	347.78	4.72	-109.31
CC1=CC=C(S(=O)(=O)NC2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000488178	0	41	-2.0	-109.07	366.27	5.94	-103.13
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1	REAL300000488179	0	35	-2.0	-103.75	337.62	5.10	-98.65
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1	REAL300000488180	0	35	-2.0	-108.95	332.67	5.49	-103.46
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300000488181	1	37	-2.0	-104.64	347.75	5.59	-99.05
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488182	1	40	-2.0	-103.54	363.23	6.36	-97.18
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300000488183	0	32	-2.0	-106.27	311.46	3.93	-102.34
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300000488185	0	37	-2.0	-119.06	340.81	6.34	-112.72
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1	REAL300000488188	0	35	-2.0	-104.37	331.44	5.06	-99.31
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1	REAL300000488189	1	35	-2.0	-104.53	325.93	4.98	-99.55
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1	REAL300000488190	1	35	-2.0	-99.28	332.35	5.06	-94.22
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1	REAL300000488192	1	41	-2.0	-108.43	364.01	4.07	-104.36
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1	REAL300000488194	1	35	-2.0	-101.82	336.25	5.44	-96.38
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300000488195	0	37	-2.0	-97.38	347.74	5.59	-91.79
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300000488196	1	35	-2.0	-107.98	319.53	4.92	-103.06
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1	REAL300000488197	1	42	-2.0	-112.75	375.64	3.81	-108.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)S1	REAL300000488198	0	35	-2.0	-107.27	333.34	4.72	-102.55
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488199	0	39	-2.0	-107.46	364.53	5.24	-102.22
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000488200	0	37	-3.0	-171.19	353.47	5.55	-165.64
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488201	1	40	-2.0	-104.02	359.99	6.35	-97.67
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1	REAL300000488202	0	35	-2.0	-107.07	331.44	5.06	-102.01
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1	REAL300000488203	1	39	-2.0	-104.21	355.27	1.74	-102.47
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1	REAL300000488204	1	39	-2.0	-105.57	359.71	5.94	-99.63
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1	REAL300000488205	1	40	-2.0	-104.73	361.56	3.37	-101.36
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000488206	0	34	-3.0	-168.39	341.18	4.50	-163.89
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1	REAL300000488207	1	38	-2.0	-103.16	351.27	2.43	-100.73
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488209	0	41	-2.0	-109.18	362.99	5.84	-103.34
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488210	0	41	-2.0	-106.95	356.23	3.96	-102.99
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1	REAL300000488211	1	41	-2.0	-103.15	374.28	5.59	-97.56
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1	REAL300000488212	1	42	-2.0	-107.03	375.95	3.20	-103.83
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1	REAL300000488213	1	39	-2.0	-107.04	354.02	1.71	-105.33
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1	REAL300000488215	1	41	-2.0	-110.22	365.47	7.19	-103.03
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=CS1	REAL300000488216	0	38	-2.0	-116.56	359.10	5.22	-111.34
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1	REAL300000488221	0	35	-2.0	-112.26	325.01	4.99	-107.27
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488222	0	41	-2.0	-120.11	372.39	3.51	-116.60
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(NC(=O)CC(=O)[O-])C=C3)=C2N=C1	REAL300000488223	0	43	-2.0	-122.61	380.86	6.20	-116.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(Cl)=C1	REAL300000488225	0	38	-2.0	-108.69	354.08	6.16	-102.53
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1	REAL300000488227	0	35	-2.0	-101.65	339.06	5.56	-96.09
CN1C=C(S(=O)(=O)NC2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000488229	0	39	-2.0	-109.67	357.34	4.80	-104.87
CN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000488229	1	38	-3.0	-172.79	354.63	4.84	-167.95
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1Cl	REAL300000488230	0	35	-2.0	-114.00	337.01	4.49	-109.51
CN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000488231	0	40	-2.0	-106.31	360.97	1.10	-105.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1F	REAL300000488233	1	39	-2.0	-104.11	355.23	4.29	-99.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1C(N)=O	REAL300000488236	1	42	-2.0	-103.39	370.21	2.39	-101.00
CN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=N1	REAL300000488237	0	35	-2.0	-105.72	324.08	2.63	-103.09
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488238	1	40	-2.0	-96.81	363.25	6.37	-90.44
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CN1C	REAL300000488240	0	43	-2.0	-106.77	383.42	2.58	-104.19
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488241	1	38	-2.0	-103.89	351.73	6.21	-97.68
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488244	0	37	-3.0	-165.56	357.13	5.17	-160.39
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1Cl	REAL300000488245	1	36	-2.0	-97.98	355.73	5.73	-92.25
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000488246	1	36	-2.0	-98.55	355.75	5.72	-92.83
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1	REAL300000488247	1	39	-2.0	-111.78	357.89	5.30	-106.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1Cl	REAL300000488248	1	38	-2.0	-105.45	354.99	6.02	-99.43
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1	REAL300000488249	0	35	-2.0	-109.61	341.20	5.48	-104.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1F	REAL300000488250	1	38	-2.0	-105.47	346.25	5.62	-99.85
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488252	0	38	-2.0	-112.31	346.43	5.64	-106.67
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488253	1	38	-2.0	-103.97	341.41	5.76	-98.21
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488255	0	40	-2.0	-119.93	352.80	7.23	-112.70
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488256	0	43	-2.0	-122.75	380.80	6.21	-116.54
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000488257	0	34	-3.0	-172.02	339.65	4.52	-167.50
O=C([O-])CC(=O)NC1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000488257	1	35	-2.0	-109.07	342.34	4.49	-104.58
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C2=CC=CN=C2C=C1	REAL300000488258	1	43	-2.0	-108.56	369.52	6.30	-102.26
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1	REAL300000488259	0	37	-2.0	-112.85	345.11	6.37	-106.48
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C1	REAL300000488260	0	37	-2.0	-116.37	352.85	6.29	-110.08
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488263	0	39	-2.0	-109.76	350.70	3.28	-106.48
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488263	1	39	-2.0	-104.68	349.81	4.12	-100.56
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1	REAL300000488264	0	32	-2.0	-103.17	301.10	1.32	-101.85
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)S1	REAL300000488265	0	38	-2.0	-101.68	367.41	4.69	-96.99
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1	REAL300000488266	1	39	-2.0	-101.19	357.34	5.28	-95.91
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1	REAL300000488267	0	35	-2.0	-105.25	334.43	5.26	-99.99
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000488268	0	37	-3.0	-166.70	351.02	4.62	-162.08
CC1=C(S(=O)(=O)NC2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000488268	1	38	-2.0	-109.13	353.56	4.58	-104.55
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1	REAL300000488269	0	38	-2.0	-127.60	347.71	4.12	-123.48
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488270	0	45	-2.0	-115.49	391.04	6.30	-109.19
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1	REAL300000488271	0	37	-2.0	-121.10	341.98	6.45	-114.65
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1	REAL300000488272	0	34	-2.0	-99.49	320.94	3.19	-96.30
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488273	0	38	-2.0	-106.12	367.57	4.58	-101.54
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1	REAL300000488274	1	40	-2.0	-108.83	355.66	5.35	-103.48
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488275	0	35	-2.0	-115.68	323.55	4.02	-111.66
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(NC(=O)CC(=O)[O-])C=C3)C=C12	REAL300000488277	0	39	-2.0	-99.20	359.29	1.91	-97.29
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=N1	REAL300000488278	0	35	-2.0	-98.37	335.47	3.45	-94.92
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1	REAL300000488279	0	35	-2.0	-110.66	331.31	5.04	-105.62
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1	REAL300000488280	0	41	-2.0	-113.03	362.65	4.56	-108.47
CC1=NC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CN1C	REAL300000488281	0	38	-2.0	-116.27	343.07	3.81	-112.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=N1	REAL300000488282	0	38	-2.0	-105.77	345.62	3.48	-102.29
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488283	1	42	-2.0	-109.32	374.60	4.65	-104.67
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1	REAL300000488284	1	40	-2.0	-106.33	355.50	4.22	-102.11
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1	REAL300000488285	0	35	-2.0	-104.16	339.06	5.56	-98.60
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488288	0	35	-2.0	-103.62	319.93	1.97	-101.65
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488289	1	39	-2.0	-109.42	349.02	4.21	-105.21
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=N1	REAL300000488291	0	35	-2.0	-113.07	324.36	2.46	-110.61
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488292	0	35	-2.0	-100.76	319.76	2.56	-98.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(F)=C1	REAL300000488298	0	38	-2.0	-111.80	346.45	5.66	-106.14
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1	REAL300000488300	0	32	-2.0	-113.15	300.84	2.31	-110.84
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)O1	REAL300000488301	0	38	-2.0	-102.77	359.08	3.71	-99.06
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1	REAL300000488302	0	40	-2.0	-122.64	359.45	5.55	-117.09
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1	REAL300000488303	0	35	-2.0	-99.73	337.71	5.10	-94.63
CC1=C(S(=O)(=O)NC2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C(C(=O)[O-])S1	REAL300000488304	0	38	-2.0	-109.40	359.26	5.34	-104.06
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C(C(=O)[O-])S1	REAL300000488304	1	37	-3.0	-170.25	356.61	5.37	-164.88
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488305	0	39	-2.0	-109.21	362.14	4.79	-104.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CN=C1Cl	REAL300000488306	0	37	-2.0	-100.27	350.17	4.14	-96.13
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488307	0	41	-2.0	-115.26	377.68	2.51	-112.75
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488310	0	47	-2.0	-106.75	398.71	5.53	-101.22
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)SC=C1	REAL300000488311	0	35	-2.0	-108.53	330.25	4.55	-103.98
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1C	REAL300000488312	0	44	-2.0	-107.04	378.04	4.83	-102.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CC=C1[N+](=O)[O-]	REAL300000488313	0	40	-2.0	-97.84	363.59	6.12	-91.72
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488316	1	39	-2.0	-103.57	355.78	6.08	-97.49
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488317	1	47	-2.0	-105.16	371.08	7.61	-97.55
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488318	1	39	-2.0	-100.32	355.77	6.09	-94.23
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(F)=C1	REAL300000488321	0	36	-2.0	-104.10	345.83	5.38	-98.72
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(NC(=O)CC(=O)[O-])C=C3)C=C2O1	REAL300000488322	1	40	-2.0	-106.09	363.16	2.58	-103.51
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=N1	REAL300000488323	0	41	-2.0	-105.16	364.31	4.01	-101.15
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1	REAL300000488325	1	40	-2.0	-108.60	360.50	5.31	-103.29
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=N1	REAL300000488326	0	41	-2.0	-111.20	378.88	3.68	-107.52
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CN1	REAL300000488327	0	41	-2.0	-114.28	363.32	3.36	-110.92
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300000488330	1	35	-2.0	-94.33	338.52	5.11	-89.22
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CN1C	REAL300000488332	0	42	-2.0	-111.11	380.67	5.02	-106.09
O=C([O-])CC(=O)NC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000488333	0	38	-2.0	-107.17	358.97	5.40	-101.77
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000488333	1	37	-3.0	-161.65	352.52	5.52	-156.13
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000488335	0	34	-3.0	-164.24	340.24	4.60	-159.64
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488336	0	44	-2.0	-115.11	384.07	6.17	-108.94
O=C([O-])CC(=O)NC1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000488337	0	38	-2.0	-109.57	360.97	5.43	-104.14
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000488337	1	37	-3.0	-165.35	354.40	5.55	-159.80
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CN1	REAL300000488338	0	39	-2.0	-107.65	362.91	3.27	-104.38
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000488339	0	37	-3.0	-162.22	353.46	5.56	-156.66
O=C([O-])CC(=O)NC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000488339	1	38	-2.0	-103.79	356.25	5.55	-98.24
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488340	1	38	-2.0	-104.58	339.90	5.74	-98.84
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CS1	REAL300000488341	0	38	-2.0	-106.42	366.80	4.60	-101.82
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)S1	REAL300000488342	0	37	-2.0	-104.84	344.76	3.50	-101.34
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1	REAL300000488343	1	39	-2.0	-112.49	361.76	6.09	-106.40
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488344	1	41	-2.0	-108.66	362.42	6.35	-102.31
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488345	1	38	-2.0	-105.18	347.33	5.66	-99.52
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488347	0	41	-2.0	-103.60	377.43	4.37	-99.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C(F)C=C1F	REAL300000488348	0	38	-2.0	-104.57	351.70	5.68	-98.89
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1	REAL300000488349	1	41	-2.0	-115.13	360.56	7.24	-107.89
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1	REAL300000488350	0	37	-2.0	-105.42	351.52	4.40	-101.02
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000488351	0	38	-3.0	-172.64	357.70	3.19	-169.45
O=C([O-])CC(=O)NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000488351	1	38	-3.0	-171.62	356.94	4.03	-167.59
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1	REAL300000488352	1	45	-2.0	-110.75	374.84	7.55	-103.20
O=C([O-])CC(=O)NC1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000488353	0	41	-2.0	-102.53	376.61	6.14	-96.39
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000488353	1	40	-3.0	-164.97	370.15	6.26	-158.71
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)O1	REAL300000488354	0	41	-2.0	-102.93	380.94	4.64	-98.29
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1	REAL300000488355	0	37	-2.0	-97.47	354.15	5.66	-91.81
COC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)SC=C1	REAL300000488357	0	36	-2.0	-114.95	341.69	3.20	-111.75
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000488358	0	38	-2.0	-110.14	349.29	5.32	-104.82
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(NC(=O)CC(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000488359	0	43	-2.0	-124.23	381.05	6.16	-118.07
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488360	0	37	-2.0	-112.49	352.77	3.67	-108.82
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488361	0	35	-2.0	-98.36	334.51	3.87	-94.49
CN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)N=C1Cl	REAL300000488362	0	35	-2.0	-110.16	339.72	3.75	-106.41
COC1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CC(OC)=C1	REAL300000488363	1	43	-2.0	-110.62	378.52	3.53	-107.09
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1	REAL300000488364	0	36	-2.0	-113.07	335.37	3.66	-109.41
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488365	0	36	-2.0	-99.18	341.76	2.76	-96.42
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)S1	REAL300000488366	0	34	-2.0	-104.19	328.05	2.74	-101.45
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488367	0	41	-2.0	-109.64	360.63	6.13	-103.51
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488369	0	41	-2.0	-107.65	366.05	6.24	-101.41
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(F)=C1	REAL300000488370	0	36	-2.0	-104.82	348.80	5.60	-99.22
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1F	REAL300000488371	0	38	-2.0	-106.89	351.73	5.69	-101.20
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488374	0	41	-2.0	-114.75	364.96	5.30	-109.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=N1	REAL300000488375	0	40	-2.0	-100.28	370.26	3.75	-96.53
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488376	1	43	-2.0	-116.48	382.61	6.19	-110.29
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=N1	REAL300000488377	0	42	-2.0	-104.15	379.29	2.53	-101.62
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C([N+](=O)[O-])=N1	REAL300000488378	0	40	-2.0	-113.86	369.83	5.75	-108.11
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1C#N	REAL300000488380	0	39	-2.0	-116.58	356.78	5.71	-110.87
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)S1	REAL300000488381	0	44	-2.0	-107.45	392.53	6.57	-100.88
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488382	0	41	-2.0	-114.65	366.84	5.67	-108.98
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1	REAL300000488383	0	43	-2.0	-103.72	377.59	2.67	-101.05
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1F	REAL300000488384	0	38	-2.0	-113.19	345.33	5.63	-107.56
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=N1	REAL300000488385	1	41	-2.0	-101.75	368.56	2.54	-99.21
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1	REAL300000488386	0	42	-2.0	-117.63	365.31	4.96	-112.67
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1	REAL300000488387	1	42	-2.0	-107.43	374.58	4.65	-102.78
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488388	0	40	-2.0	-110.12	358.79	1.90	-108.22
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1Cl	REAL300000488389	0	38	-2.0	-109.76	351.38	6.06	-103.70
CC1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C(C)O1	REAL300000488391	0	38	-2.0	-105.72	342.50	4.50	-101.22
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488393	1	42	-2.0	-106.44	366.13	4.96	-101.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)O1	REAL300000488395	0	35	-2.0	-107.61	324.13	3.74	-103.87
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488396	0	38	-2.0	-108.14	353.19	5.34	-102.80
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1	REAL300000488397	1	38	-2.0	-104.57	345.57	3.58	-100.99
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C2=NC=CC=C2C=C1	REAL300000488398	0	43	-2.0	-122.05	372.93	6.74	-115.31
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1	REAL300000488399	0	37	-2.0	-96.32	352.27	5.61	-90.71
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1	REAL300000488400	1	35	-2.0	-99.69	342.67	5.51	-94.18
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C(C)O1	REAL300000488401	0	41	-2.0	-102.02	377.37	4.48	-97.54
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1	REAL300000488402	0	34	-2.0	-99.72	331.28	3.61	-96.11
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)N=C1C	REAL300000488403	0	41	-2.0	-116.05	365.08	4.72	-111.33
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488404	0	38	-2.0	-109.22	354.06	6.15	-103.07
CCN1C=C(S(=O)(=O)NC2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000488405	0	42	-2.0	-105.37	382.41	5.56	-99.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000488405	1	41	-3.0	-174.11	375.99	5.71	-168.40
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488406	0	38	-2.0	-106.29	359.42	3.66	-102.63
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488407	0	47	-2.0	-107.32	395.68	5.49	-101.83
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1	REAL300000488408	0	35	-2.0	-111.85	335.59	5.72	-106.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(Cl)=N1	REAL300000488409	0	37	-2.0	-107.44	349.41	4.24	-103.20
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488410	0	40	-2.0	-106.16	368.56	5.11	-101.05
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)S1	REAL300000488411	0	37	-2.0	-103.81	349.55	3.50	-100.31
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)S1	REAL300000488412	0	37	-2.0	-102.16	357.65	5.26	-96.90
COC1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CN=C1Cl	REAL300000488413	0	38	-2.0	-98.23	360.39	2.88	-95.35
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(Cl)=C1	REAL300000488415	0	36	-2.0	-101.36	353.42	5.88	-95.48
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1	REAL300000488416	0	38	-2.0	-115.97	347.46	5.24	-110.73
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488417	0	40	-2.0	-104.02	369.48	3.79	-100.23
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488418	0	45	-2.0	-113.92	383.08	6.68	-107.24
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488422	0	35	-2.0	-101.70	348.51	5.15	-96.55
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1	REAL300000488423	1	38	-2.0	-107.56	351.72	5.80	-101.76
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1	REAL300000488424	0	38	-2.0	-104.30	357.46	3.81	-100.49
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488425	1	39	-2.0	-113.29	355.63	5.99	-107.30
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488426	1	44	-2.0	-109.43	373.55	6.92	-102.51
COC1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CC=C1F	REAL300000488427	1	39	-2.0	-101.27	355.23	4.29	-96.98
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1	REAL300000488428	0	34	-2.0	-113.99	332.23	5.33	-108.66
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1	REAL300000488429	0	32	-2.0	-106.50	302.21	2.92	-103.58
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488430	0	34	-2.0	-96.89	314.00	1.33	-95.56
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(NC(=O)CC(=O)[O-])C=C3)=CN=C21	REAL300000488431	1	40	-2.0	-102.94	363.89	4.05	-98.89
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1	REAL300000488432	0	34	-2.0	-100.01	340.70	4.69	-95.32
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1	REAL300000488433	0	39	-2.0	-109.46	347.50	4.36	-105.10
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488434	0	36	-2.0	-104.06	353.45	5.88	-98.18
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488435	1	41	-2.0	-105.82	349.77	6.64	-99.18
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488436	0	43	-2.0	-120.18	373.50	5.43	-114.75
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488438	0	38	-2.0	-111.27	338.89	5.89	-105.38
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C=C1	REAL300000488439	0	39	-2.0	-120.51	357.91	4.99	-115.52
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(NC(=O)CC(=O)[O-])C=C3)C=CC=C12	REAL300000488440	0	43	-2.0	-122.55	377.41	6.10	-116.45
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1	REAL300000488442	0	36	-2.0	-114.31	344.29	3.22	-111.09
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488443	0	38	-2.0	-104.81	344.10	2.39	-102.42
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)S1	REAL300000488447	0	38	-2.0	-111.20	364.47	2.41	-108.79
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)S1	REAL300000488447	1	37	-3.0	-168.04	361.17	1.28	-166.76
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488448	1	39	-2.0	-112.05	352.37	6.18	-105.87
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488449	1	39	-2.0	-112.34	361.77	6.08	-106.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(N)=NO1	REAL300000488451	0	36	-2.0	-99.45	327.05	2.30	-97.15
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488452	0	39	-2.0	-110.08	364.51	5.23	-104.85
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1	REAL300000488453	0	36	-2.0	-103.78	347.03	3.70	-100.08
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488455	1	42	-2.0	-108.84	364.49	4.99	-103.85
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)S1	REAL300000488457	0	33	-2.0	-99.55	332.02	4.47	-95.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=N1	REAL300000488458	0	37	-2.0	-105.52	336.13	3.75	-101.77
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1	REAL300000488459	0	40	-2.0	-107.96	360.72	5.29	-102.67
CC1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CC=C1C#N	REAL300000488460	1	39	-2.0	-100.70	359.50	5.82	-94.88
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1	REAL300000488461	0	34	-2.0	-94.92	337.27	3.60	-91.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(F)=C1	REAL300000488463	0	39	-2.0	-109.61	354.52	4.29	-105.32
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1	REAL300000488465	1	38	-2.0	-105.86	353.69	5.85	-100.01
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)N(C)N=C1	REAL300000488467	0	38	-2.0	-101.30	336.44	3.39	-97.91
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)O1	REAL300000488469	0	33	-2.0	-100.75	323.46	3.46	-97.29
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1	REAL300000488470	0	32	-2.0	-104.24	310.62	3.83	-100.41
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1	REAL300000488471	0	32	-2.0	-104.84	302.05	2.80	-102.04
CC1=CC(S(=O)(=O)NC2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000488472	0	41	-2.0	-106.34	366.47	6.02	-100.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=N1	REAL300000488473	1	38	-2.0	-101.79	346.71	1.61	-100.18
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1	REAL300000488474	0	35	-2.0	-107.07	341.76	5.51	-101.56
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488475	1	46	-2.0	-106.75	398.27	6.06	-100.69
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1	REAL300000488476	0	38	-2.0	-109.08	356.09	6.28	-102.80
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1	REAL300000488477	0	38	-2.0	-112.16	346.12	3.55	-108.61
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488478	1	42	-2.0	-109.31	370.89	5.15	-104.16
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(NC(=O)CC(=O)[O-])C=C3)C=C2C=C1	REAL300000488480	1	44	-2.0	-109.90	386.82	7.85	-102.05
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1	REAL300000488481	0	32	-2.0	-106.39	327.50	4.37	-102.02
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488482	0	35	-2.0	-106.36	333.09	4.59	-101.77
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1	REAL300000488483	0	32	-2.0	-104.26	317.81	1.73	-102.53
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1	REAL300000488484	0	34	-2.0	-103.40	326.44	3.03	-100.37
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488485	0	44	-2.0	-102.84	384.11	3.97	-98.87
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=N1	REAL300000488486	1	44	-2.0	-101.99	388.69	3.47	-98.52
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1	REAL300000488488	0	38	-2.0	-104.48	355.70	5.39	-99.09
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488489	0	40	-2.0	-116.28	360.39	4.53	-111.75
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488490	0	34	-2.0	-101.51	328.03	3.22	-98.29
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1	REAL300000488494	0	32	-2.0	-108.60	317.80	3.96	-104.64
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1F	REAL300000488495	1	36	-2.0	-98.10	346.22	5.36	-92.74
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1	REAL300000488499	0	32	-2.0	-107.91	301.15	1.50	-106.41
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1	REAL300000488500	0	40	-2.0	-112.50	356.53	1.83	-110.67
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)S1	REAL300000488501	0	38	-2.0	-109.20	350.96	5.45	-103.75
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1	REAL300000488502	0	36	-2.0	-97.41	342.91	3.77	-93.64
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488503	0	37	-2.0	-99.11	347.07	4.31	-94.80
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=NN1C	REAL300000488507	0	38	-2.0	-105.64	342.43	3.13	-102.51
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1	REAL300000488508	1	39	-2.0	-107.86	350.60	6.01	-101.85
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488509	0	38	-2.0	-106.33	342.92	3.28	-103.05
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488510	0	35	-2.0	-98.93	335.38	3.53	-95.40
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1	REAL300000488513	0	35	-2.0	-105.24	335.19	2.45	-102.79
COC1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000488515	1	39	-2.0	-101.76	365.04	4.77	-96.99
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)S1	REAL300000488516	0	39	-2.0	-115.81	371.13	1.56	-114.25
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000488517	0	37	-3.0	-183.26	351.64	5.52	-177.74
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1	REAL300000488518	0	37	-2.0	-117.66	350.72	4.34	-113.32
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1	REAL300000488519	1	40	-2.0	-109.75	355.33	4.76	-104.99
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488521	0	38	-2.0	-108.09	346.40	6.42	-101.67
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1	REAL300000488522	0	40	-2.0	-116.92	355.84	4.74	-112.18
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(F)=C1	REAL300000488527	0	38	-2.0	-113.78	349.43	5.87	-107.91
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(NC(=O)CC(=O)[O-])C=C3)=CC=C21	REAL300000488528	1	40	-2.0	-106.69	363.37	3.37	-103.32
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488530	0	39	-2.0	-110.23	354.18	4.77	-105.46
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1Cl	REAL300000488531	0	38	-2.0	-98.85	362.77	2.15	-96.70
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488532	0	34	-2.0	-99.36	316.49	2.87	-96.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000488533	1	38	-2.0	-102.56	354.98	6.02	-96.54
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1	REAL300000488534	1	41	-2.0	-116.62	367.61	5.91	-110.71
CC1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C([N+](=O)[O-])S1	REAL300000488535	0	37	-2.0	-113.98	354.10	6.12	-107.86
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1	REAL300000488537	0	34	-2.0	-110.52	320.02	3.10	-107.42
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1	REAL300000488540	0	34	-2.0	-99.00	320.94	3.07	-95.93
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=CS1	REAL300000488542	0	33	-2.0	-111.25	329.94	4.32	-106.93
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1	REAL300000488545	1	35	-2.0	-99.09	342.11	5.48	-93.61
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1	REAL300000488546	0	43	-2.0	-116.16	371.72	6.12	-110.04
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488552	1	42	-2.0	-118.12	375.46	2.36	-115.76
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)N(C)N=C1	REAL300000488554	0	41	-2.0	-108.07	368.77	4.00	-104.07
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)N1C	REAL300000488556	0	38	-2.0	-107.84	341.11	3.84	-104.00
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)O1	REAL300000488559	0	41	-2.0	-103.44	376.96	4.28	-99.16
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1	REAL300000488560	0	38	-2.0	-104.51	359.26	4.42	-100.09
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1	REAL300000488561	0	34	-2.0	-103.92	336.89	3.52	-100.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(F)=C1F	REAL300000488563	0	38	-2.0	-110.68	351.62	5.70	-104.98
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)OC=C1	REAL300000488564	0	38	-2.0	-115.68	355.78	3.94	-111.74
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=N1	REAL300000488565	0	37	-2.0	-118.86	346.59	3.90	-114.96
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(C)=N1	REAL300000488566	0	47	-2.0	-105.94	407.45	5.68	-100.26
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000488567	0	36	-3.0	-174.34	344.21	3.60	-170.74
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488568	0	39	-2.0	-108.16	352.12	4.98	-103.18
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CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488580	0	41	-2.0	-105.84	362.34	4.07	-101.77
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(C#N)=C1	REAL300000488583	0	39	-2.0	-114.43	359.04	5.88	-108.55
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488584	0	39	-2.0	-113.22	351.22	6.16	-107.06
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1	REAL300000488586	1	42	-2.0	-111.04	383.26	6.87	-104.17
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488588	0	35	-2.0	-98.63	338.76	0.72	-97.91
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1	REAL300000488590	0	31	-2.0	-101.23	306.25	2.63	-98.60
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C(C(N)=O)O1	REAL300000488593	0	39	-2.0	-105.50	359.05	0.53	-104.97
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488594	1	44	-2.0	-106.09	371.25	7.42	-98.67
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1	REAL300000488595	0	35	-2.0	-112.42	334.25	5.05	-107.37
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1	REAL300000488597	1	40	-2.0	-115.93	355.76	5.43	-110.50
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488598	0	42	-2.0	-111.36	380.91	5.13	-106.23
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1F	REAL300000488599	0	36	-2.0	-110.75	345.35	5.34	-105.41
CN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)N=N1	REAL300000488600	0	34	-2.0	-109.10	318.31	1.24	-107.86
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1	REAL300000488601	0	42	-2.0	-105.84	369.43	4.60	-101.24
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1	REAL300000488602	0	42	-2.0	-102.71	366.82	4.81	-97.90
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1	REAL300000488603	0	45	-2.0	-103.52	389.08	5.43	-98.09
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1	REAL300000488604	0	42	-2.0	-107.24	362.43	4.98	-102.26
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488605	1	38	-2.0	-103.57	342.86	5.63	-97.94
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(NC(=O)CC(=O)[O-])C=C3)=C2O1	REAL300000488606	0	43	-2.0	-117.63	376.71	5.50	-112.13
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)S1	REAL300000488607	0	43	-2.0	-104.64	388.19	4.58	-100.06
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(NC(=O)CC(=O)[O-])C=C3)C=C2)CC1	REAL300000488608	1	43	-2.0	-108.76	387.76	7.13	-101.63
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1	REAL300000488609	0	32	-2.0	-105.20	324.94	4.36	-100.84
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488610	0	40	-2.0	-121.18	361.26	4.50	-116.68
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488611	0	37	-2.0	-98.29	334.24	2.18	-96.11
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1	REAL300000488613	1	36	-2.0	-97.44	334.40	3.71	-93.73
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1	REAL300000488614	0	38	-2.0	-109.51	358.39	6.35	-103.16
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488615	0	42	-2.0	-101.81	370.47	4.69	-97.12
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1OC	REAL300000488617	0	43	-2.0	-112.50	375.13	4.78	-107.72
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1	REAL300000488618	0	38	-2.0	-109.91	349.29	5.20	-104.71
CN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(C2CC2)=N1	REAL300000488619	0	42	-2.0	-108.76	376.65	4.80	-103.96
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1	REAL300000488620	0	38	-2.0	-114.09	348.96	4.13	-109.96
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(NC(=O)CC(=O)[O-])C=C3)C=CC=C21	REAL300000488621	0	40	-2.0	-124.78	364.08	3.32	-121.46
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(NC(=O)CC(=O)[O-])C=C3)=C21	REAL300000488622	0	42	-2.0	-107.84	360.46	6.85	-100.99
CC1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=CN=C1N	REAL300000488623	1	39	-2.0	-107.03	347.54	2.63	-104.40
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488624	0	35	-2.0	-105.64	336.82	0.79	-104.85
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)N=CN1	REAL300000488625	0	35	-2.0	-114.61	317.57	3.03	-111.58
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CN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(C2CCC2)=N1	REAL300000488628	0	45	-2.0	-108.63	391.05	5.34	-103.29
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1	REAL300000488629	0	32	-2.0	-104.71	325.34	4.46	-100.25
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1	REAL300000488630	0	45	-2.0	-105.55	393.51	5.56	-99.99
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1	REAL300000488631	0	39	-2.0	-110.50	356.26	6.12	-104.38
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488632	1	44	-2.0	-108.67	383.92	7.14	-101.53
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488633	0	41	-2.0	-100.88	375.81	3.26	-97.62
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488634	0	36	-2.0	-110.07	344.03	5.27	-104.80
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488635	0	42	-2.0	-105.51	365.25	4.45	-101.06
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488638	0	44	-2.0	-104.04	369.21	4.63	-99.41
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=N1	REAL300000488639	0	44	-2.0	-105.91	384.03	4.63	-101.28
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1	REAL300000488640	0	42	-2.0	-105.88	368.09	4.02	-101.86
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=N1	REAL300000488641	0	46	-2.0	-105.33	393.80	5.74	-99.59
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1	REAL300000488642	1	38	-2.0	-107.03	347.51	5.74	-101.29
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488643	0	38	-2.0	-101.58	341.71	3.14	-98.44
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1	REAL300000488646	1	38	-2.0	-115.75	340.50	6.21	-109.54
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1Cl	REAL300000488647	0	36	-2.0	-107.61	352.13	5.77	-101.84
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1	REAL300000488648	1	42	-2.0	-108.71	368.74	7.02	-101.69
COC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=CS1	REAL300000488649	0	36	-2.0	-110.81	341.80	3.37	-107.44
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1	REAL300000488650	0	42	-2.0	-110.59	374.25	7.10	-103.49
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1	REAL300000488651	0	45	-2.0	-103.01	384.30	5.53	-97.48
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488652	0	44	-2.0	-103.73	380.66	4.75	-98.98
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(NC(=O)CC(=O)[O-])C=C3)C2=N1	REAL300000488654	0	40	-2.0	-117.04	363.14	3.28	-113.76
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)O1	REAL300000488655	0	38	-2.0	-107.53	345.62	4.52	-103.01
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1	REAL300000488656	0	35	-2.0	-101.26	343.39	4.14	-97.12
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488657	1	41	-2.0	-107.25	372.74	6.45	-100.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)S1	REAL300000488658	0	36	-2.0	-104.59	343.33	3.37	-101.22
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CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488660	1	45	-2.0	-109.46	396.46	5.61	-103.85
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1	REAL300000488661	1	38	-2.0	-110.01	341.17	5.85	-104.16
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1	REAL300000488662	0	38	-2.0	-112.40	346.50	5.27	-107.13
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1	REAL300000488663	1	37	-2.0	-108.52	350.46	4.32	-104.20
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=N1	REAL300000488664	0	37	-2.0	-105.77	340.23	1.78	-103.99
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1Cl	REAL300000488665	0	38	-2.0	-103.00	361.20	3.84	-99.16
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000488667	1	44	-2.0	-115.63	378.29	7.77	-107.86
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CC1=COC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488671	0	35	-2.0	-106.85	324.12	3.59	-103.26
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=NN1	REAL300000488672	0	41	-2.0	-105.77	379.73	2.73	-103.04
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1	REAL300000488673	0	34	-2.0	-94.65	337.16	3.56	-91.09
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488674	0	41	-2.0	-105.93	363.93	4.86	-101.07
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(NC(=O)CC(=O)[O-])C=C3)=CC=C21	REAL300000488675	1	42	-2.0	-113.85	373.22	6.69	-107.16
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1Cl	REAL300000488676	0	35	-2.0	-102.80	339.39	2.98	-99.82
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488677	1	41	-2.0	-118.21	357.34	6.75	-111.46
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)OC=C1	REAL300000488678	0	33	-2.0	-107.56	321.36	3.38	-104.18
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488679	0	37	-2.0	-98.60	347.27	4.31	-94.29
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(C2CC2)=N1	REAL300000488680	0	45	-2.0	-108.40	396.37	5.71	-102.69
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1	REAL300000488683	0	32	-2.0	-104.35	318.28	3.43	-100.92
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1	REAL300000488684	0	32	-2.0	-101.58	328.33	4.44	-97.14
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488685	0	43	-2.0	-103.26	371.81	2.66	-100.60
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1	REAL300000488686	1	42	-2.0	-110.38	363.07	7.09	-103.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C(C)=N1	REAL300000488688	1	41	-2.0	-101.35	362.36	2.36	-98.99
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488689	0	41	-2.0	-111.55	366.93	2.75	-108.80
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488690	0	38	-2.0	-105.60	362.23	2.61	-102.99
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C1C	REAL300000488691	1	41	-2.0	-102.46	366.85	2.33	-100.13
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=N1	REAL300000488692	0	44	-2.0	-105.25	382.48	5.06	-100.19
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488693	0	44	-2.0	-106.46	383.14	4.66	-101.80
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=CO1	REAL300000488694	0	33	-2.0	-108.29	322.48	3.34	-104.95
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)SC=C1	REAL300000488695	0	33	-2.0	-108.39	331.57	4.26	-104.13
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488696	0	41	-2.0	-103.23	362.43	4.10	-99.13
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1	REAL300000488697	0	42	-2.0	-101.15	371.74	5.03	-96.12
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=NN1C(C)C	REAL300000488699	0	44	-2.0	-106.06	384.02	4.66	-101.40
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1	REAL300000488700	0	37	-2.0	-103.37	346.86	3.94	-99.43
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1	REAL300000488702	1	36	-2.0	-108.07	330.54	2.06	-106.01
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1	REAL300000488703	0	31	-2.0	-98.97	305.18	2.52	-96.45
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(NC(=O)CC(=O)[O-])C=C1	REAL300000488704	0	40	-2.0	-113.98	360.30	4.51	-109.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000488705	0	43	-2.0	-122.86	377.26	6.09	-116.77
CCC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000488706	0	40	-3.0	-166.44	370.10	5.48	-160.96
CCC1=C(S(=O)(=O)NC2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000488706	1	41	-2.0	-106.14	372.66	4.93	-101.21
CC1=C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)C=C(Cl)S1	REAL300000488707	0	35	-2.0	-100.42	344.81	5.32	-95.10
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1	REAL300000488708	0	31	-2.0	-103.12	306.11	2.04	-101.08
O=C([O-])CC(=O)NC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1	REAL300000488709	0	42	-2.0	-107.06	365.26	4.24	-102.82
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(NC(=O)CC(=O)[O-])C=C2)=C1	REAL300000488710	0	38	-2.0	-112.31	346.43	5.64	-106.67
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488711	1	44	-2.0	-105.88	385.91	8.65	-97.23
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488712	1	41	-2.0	-105.37	371.66	7.86	-97.51
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1	REAL300000488715	0	35	-2.0	-109.73	325.38	7.46	-102.27
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300000488716	0	38	-2.0	-98.40	356.13	6.78	-91.62
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1	REAL300000488717	0	34	-2.0	-93.82	328.73	5.83	-87.99
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488718	1	36	-2.0	-99.53	336.95	7.58	-91.95
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488719	1	36	-2.0	-95.59	337.68	7.60	-87.99
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1	REAL300000488720	0	35	-2.0	-99.36	339.11	7.79	-91.57
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488721	0	36	-2.0	-110.23	334.21	7.47	-102.76
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C=C1	REAL300000488722	0	35	-2.0	-103.18	332.60	7.88	-95.30
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1F	REAL300000488723	0	38	-2.0	-102.75	355.66	7.66	-95.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1F	REAL300000488723	1	37	-3.0	-167.89	349.09	7.78	-160.11
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1	REAL300000488725	1	44	-2.0	-101.56	378.91	7.15	-94.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000488726	1	40	-2.0	-101.73	360.30	8.38	-93.35
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488727	0	38	-2.0	-97.88	331.25	5.04	-92.84
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C=C1	REAL300000488728	1	51	-2.0	-101.74	417.96	10.99	-90.75
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300000488729	1	38	-2.0	-95.26	354.83	8.19	-87.07
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488731	0	38	-2.0	-99.61	351.05	7.64	-91.97
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488732	0	43	-2.0	-110.31	374.61	6.28	-104.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1OC	REAL300000488733	1	43	-2.0	-101.55	374.82	6.40	-95.15
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488735	0	37	-2.0	-93.87	329.20	6.14	-87.73
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1	REAL300000488736	1	35	-2.0	-94.30	348.78	8.18	-86.12
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488737	0	38	-2.0	-124.13	351.13	7.62	-116.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488737	1	37	-3.0	-168.79	344.56	7.74	-161.05
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300000488738	1	35	-2.0	-93.59	329.57	7.32	-86.27
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C1	REAL300000488739	0	35	-2.0	-99.28	345.96	8.27	-91.01
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300000488740	1	38	-2.0	-98.73	355.60	8.21	-90.52
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488741	1	38	-2.0	-103.45	338.28	7.87	-95.58
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C1	REAL300000488743	0	38	-2.0	-105.72	341.97	8.57	-97.15
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1	REAL300000488744	1	35	-2.0	-99.15	333.60	7.72	-91.43
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488745	1	40	-2.0	-101.14	357.33	7.60	-93.54
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488746	1	41	-2.0	-103.57	353.00	8.62	-94.95
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1	REAL300000488748	1	35	-2.0	-93.73	339.46	7.77	-85.96
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488749	1	40	-2.0	-111.89	357.38	7.60	-104.29
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488751	0	41	-2.0	-114.68	361.35	8.57	-106.11
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488752	1	44	-2.0	-97.42	393.50	8.79	-88.63
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C1	REAL300000488753	0	35	-2.0	-100.81	345.20	8.22	-92.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000488754	1	41	-2.0	-100.07	371.61	7.93	-92.14
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488755	1	47	-2.0	-102.29	392.31	9.51	-92.78
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488757	1	47	-2.0	-101.81	395.54	9.80	-92.01
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488758	0	41	-3.0	-174.48	372.70	7.55	-166.93
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488758	1	42	-2.0	-108.69	375.47	7.48	-101.21
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488759	0	42	-2.0	-101.87	382.73	8.92	-92.95
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488759	1	41	-3.0	-155.37	376.79	9.06	-146.31
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C1	REAL300000488760	0	35	-2.0	-103.50	339.72	8.51	-94.99
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1	REAL300000488761	0	32	-2.0	-95.85	325.08	6.81	-89.04
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488763	0	39	-2.0	-109.37	344.37	6.98	-102.39
CC1=CC=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000488764	0	41	-2.0	-101.82	370.97	8.27	-93.55
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1	REAL300000488765	0	35	-2.0	-97.56	334.93	7.39	-90.17
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1	REAL300000488766	1	35	-2.0	-94.71	349.56	8.21	-86.50
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1	REAL300000488767	0	35	-2.0	-103.88	329.24	7.75	-96.13
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C=C1	REAL300000488768	1	35	-2.0	-99.11	338.16	7.83	-91.28
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300000488769	1	37	-2.0	-99.69	344.32	7.86	-91.83
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488770	1	40	-2.0	-99.60	359.82	8.63	-90.97
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C=C1	REAL300000488771	1	37	-2.0	-95.23	356.77	8.24	-86.99
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300000488772	0	32	-2.0	-100.89	308.81	6.21	-94.68
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300000488774	0	37	-2.0	-113.72	337.20	8.60	-105.12
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488775	0	37	-3.0	-164.63	357.64	8.33	-156.30
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488775	1	38	-2.0	-102.01	360.27	8.29	-93.72
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1Cl	REAL300000488776	0	38	-2.0	-99.63	363.63	8.02	-91.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1Cl	REAL300000488776	1	37	-3.0	-166.49	357.07	8.15	-158.34
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1	REAL300000488779	0	35	-2.0	-98.74	328.78	7.33	-91.41
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1	REAL300000488780	1	35	-2.0	-99.32	323.28	7.27	-92.05
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1	REAL300000488781	0	35	-2.0	-94.14	328.92	7.32	-86.82
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1	REAL300000488783	1	41	-2.0	-103.02	360.59	6.34	-96.68
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488785	1	50	-2.0	-104.42	407.80	10.28	-94.14
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1	REAL300000488786	1	35	-2.0	-96.46	333.60	7.72	-88.74
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C=C1	REAL300000488787	1	35	-2.0	-96.40	338.17	7.83	-88.57
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300000488788	0	37	-2.0	-91.76	345.09	7.88	-83.88
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300000488789	1	35	-2.0	-103.14	316.10	7.18	-95.96
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488790	1	42	-2.0	-107.79	372.94	6.09	-101.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300000488791	0	35	-2.0	-101.96	330.70	7.00	-94.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1C	REAL300000488792	0	44	-2.0	-122.38	376.43	8.63	-113.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1C	REAL300000488792	1	43	-3.0	-171.59	377.23	9.10	-162.49
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488793	0	39	-2.0	-102.33	361.86	7.52	-94.81
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1	REAL300000488794	0	37	-2.0	-104.34	354.69	9.13	-95.21
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488795	0	37	-3.0	-166.30	350.05	7.82	-158.48
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=C1	REAL300000488796	0	32	-2.0	-94.77	338.98	7.35	-87.42
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488798	1	40	-2.0	-98.67	354.35	8.46	-90.21
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1	REAL300000488799	0	35	-2.0	-102.14	328.01	7.32	-94.82
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488800	0	44	-2.0	-98.67	394.64	9.22	-89.45
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488800	1	43	-3.0	-154.67	388.90	9.35	-145.32
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488801	1	45	-2.0	-107.61	393.52	6.91	-100.70
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1	REAL300000488802	1	39	-2.0	-98.77	352.61	4.02	-94.75
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488803	1	39	-2.0	-100.33	357.06	8.23	-92.10
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1	REAL300000488804	1	40	-2.0	-99.42	358.89	5.65	-93.77
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=C1	REAL300000488805	1	43	-2.0	-100.40	376.68	6.39	-94.01
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488807	0	34	-3.0	-162.42	337.76	6.77	-155.65
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1	REAL300000488808	1	38	-2.0	-98.91	347.84	4.70	-94.21
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488810	0	41	-2.0	-110.03	359.55	8.10	-101.93
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488810	1	40	-3.0	-169.57	360.00	8.55	-161.02
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488811	0	41	-2.0	-100.70	354.48	6.28	-94.42
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1C	REAL300000488812	1	43	-2.0	-99.47	377.09	9.20	-90.27
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488813	1	41	-2.0	-97.77	371.64	7.87	-89.90
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488814	1	42	-2.0	-101.95	372.54	5.47	-96.48
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488815	1	40	-2.0	-103.82	370.33	2.14	-101.68
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488816	0	44	-2.0	-111.52	389.05	8.86	-102.66
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488817	1	39	-2.0	-102.03	350.61	3.98	-98.05
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1	REAL300000488819	1	41	-2.0	-105.18	362.81	9.48	-95.70
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=CS1	REAL300000488820	0	38	-2.0	-111.63	355.68	7.49	-104.14
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488821	1	45	-2.0	-101.66	392.67	7.70	-93.96
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488823	0	42	-2.0	-100.79	382.35	7.91	-92.88
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300000488825	1	35	-2.0	-95.85	323.27	7.27	-88.58
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1	REAL300000488826	0	35	-2.0	-107.19	321.61	7.25	-99.94
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C1	REAL300000488827	1	40	-2.0	-98.71	359.26	7.72	-90.99
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488828	0	41	-2.0	-114.99	369.73	5.79	-109.20
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=C2N=C1	REAL300000488829	0	43	-2.0	-117.78	377.45	8.47	-109.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(Cl)=C1	REAL300000488831	0	38	-2.0	-103.28	351.42	8.43	-94.85
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C=C1	REAL300000488832	1	41	-2.0	-99.95	366.85	4.41	-95.54
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488833	1	40	-2.0	-106.51	370.28	2.15	-104.36
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=CC=C21	REAL300000488834	1	43	-2.0	-100.00	379.41	7.64	-92.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C([N+](=O)[O-])=C1	REAL300000488835	0	41	-2.0	-109.05	367.43	7.92	-101.13
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C=C1	REAL300000488836	1	40	-2.0	-97.22	363.79	8.69	-88.53
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=CC=C21	REAL300000488837	1	41	-2.0	-99.09	370.55	7.16	-91.93
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488838	1	41	-2.0	-106.82	377.57	4.73	-102.09
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C1	REAL300000488840	1	45	-2.0	-104.69	385.93	11.06	-93.63
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1	REAL300000488841	0	35	-2.0	-96.01	336.40	7.84	-88.17
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(F)=C1	REAL300000488842	0	42	-2.0	-113.14	378.73	6.15	-106.99
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488843	1	41	-2.0	-109.92	376.80	4.71	-105.21
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1OC	REAL300000488845	0	43	-2.0	-103.26	380.31	6.46	-96.80
CN1C=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000488847	0	39	-2.0	-119.01	357.85	6.97	-112.04
CN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000488847	1	38	-3.0	-166.77	351.21	7.11	-159.66
CN1C=NC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1Cl	REAL300000488848	0	35	-2.0	-109.38	333.58	6.76	-102.62
CN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C(N)=O	REAL300000488849	0	40	-2.0	-100.96	358.05	3.36	-97.60
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488850	0	42	-2.0	-111.45	370.61	6.56	-104.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1Cl	REAL300000488852	1	39	-2.0	-99.29	362.39	7.06	-92.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1F	REAL300000488853	1	39	-2.0	-99.29	352.58	6.58	-92.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C(N)=O	REAL300000488856	1	42	-2.0	-98.18	366.68	4.64	-93.54
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C(N)=O	REAL300000488857	1	43	-2.0	-99.86	377.91	4.57	-95.29
CN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300000488858	0	35	-2.0	-99.53	321.42	4.91	-94.62
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488859	1	40	-2.0	-91.85	359.81	8.63	-83.22
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CN1C	REAL300000488861	0	43	-2.0	-101.47	379.98	4.85	-96.62
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488862	1	38	-2.0	-99.79	347.91	8.49	-91.30
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=N2)C=C1	REAL300000488864	0	45	-2.0	-100.84	398.07	8.98	-91.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488867	0	37	-3.0	-159.13	353.70	7.43	-151.70
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1Cl	REAL300000488868	1	36	-2.0	-92.81	352.31	8.00	-84.81
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1Cl	REAL300000488869	1	36	-2.0	-93.97	352.33	8.00	-85.97
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000488870	0	44	-2.0	-110.18	377.85	9.10	-101.08
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1	REAL300000488871	1	39	-2.0	-106.72	355.23	7.57	-99.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C2=CC=CN=C12	REAL300000488872	1	44	-2.0	-104.49	382.18	6.99	-97.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1Cl	REAL300000488873	1	38	-2.0	-99.80	352.33	8.32	-91.48
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1	REAL300000488874	0	35	-2.0	-103.89	338.54	7.77	-96.12
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488876	0	41	-2.0	-97.07	373.34	7.67	-89.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000488877	1	45	-2.0	-107.48	386.24	8.86	-98.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1F	REAL300000488878	1	38	-2.0	-99.66	343.59	7.91	-91.75
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488879	1	38	-2.0	-96.63	348.32	8.47	-88.16
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488880	0	38	-2.0	-107.38	343.01	7.91	-99.47
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488881	1	38	-2.0	-99.99	337.58	8.04	-91.95
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)C=C1	REAL300000488882	1	41	-2.0	-101.23	376.91	9.27	-91.96
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488883	0	40	-2.0	-114.69	349.49	9.49	-105.20
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488884	1	45	-2.0	-112.31	387.56	7.05	-105.26
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488885	0	43	-2.0	-117.74	378.14	8.49	-109.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CS1	REAL300000488886	0	34	-3.0	-165.67	336.21	6.79	-158.88
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CS1	REAL300000488886	1	35	-2.0	-101.42	342.83	6.65	-94.77
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C=C1	REAL300000488887	0	37	-2.0	-91.76	358.23	8.44	-83.32
COC1=CC=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000488888	0	42	-2.0	-106.77	378.56	7.69	-99.08
CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C2=CC=CN=C2C=C1	REAL300000488889	1	43	-2.0	-103.17	366.97	8.58	-94.59
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1O	REAL300000488890	1	42	-2.0	-99.26	379.71	5.89	-93.37
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1	REAL300000488891	0	37	-2.0	-106.95	343.62	8.67	-98.28
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300000488892	1	45	-2.0	-103.06	390.29	10.60	-92.46
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C1	REAL300000488893	0	37	-2.0	-110.29	350.29	8.58	-101.71
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488894	0	44	-2.0	-111.48	396.13	5.70	-105.78
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488897	0	39	-2.0	-105.47	347.21	5.56	-99.91
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488897	1	39	-2.0	-95.49	346.46	6.32	-89.17
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1	REAL300000488898	0	32	-2.0	-97.25	297.68	3.60	-93.65
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488899	0	44	-2.0	-109.57	376.94	8.97	-100.60
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488899	1	43	-3.0	-168.29	374.70	9.48	-158.81
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C1	REAL300000488900	0	38	-2.0	-106.08	356.40	8.11	-97.97
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300000488901	0	38	-2.0	-96.08	364.74	6.96	-89.12
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C	REAL300000488902	0	43	-2.0	-113.15	376.28	9.83	-103.32
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1	REAL300000488903	1	39	-2.0	-95.50	354.68	7.57	-87.93
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1	REAL300000488904	0	35	-2.0	-100.20	331.00	7.53	-92.67
CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000488905	0	37	-3.0	-161.09	348.37	6.90	-154.19
CC1=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000488905	1	38	-2.0	-107.18	350.58	6.85	-100.33
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1	REAL300000488906	0	38	-2.0	-122.88	344.30	6.39	-116.49
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488907	0	41	-2.0	-107.32	376.37	7.89	-99.43
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488908	0	45	-2.0	-110.97	387.63	8.56	-102.41
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=C1	REAL300000488909	0	37	-2.0	-113.08	350.59	9.36	-103.72
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1	REAL300000488910	1	40	-2.0	-113.27	364.43	7.37	-105.90
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C=C1	REAL300000488911	0	34	-2.0	-94.07	333.19	6.00	-88.07
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1	REAL300000488912	0	37	-2.0	-116.76	342.86	8.82	-107.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488913	0	41	-3.0	-172.45	373.49	6.84	-165.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488913	1	42	-2.0	-105.79	376.27	6.80	-98.99
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1	REAL300000488914	0	42	-2.0	-101.04	377.44	8.31	-92.73
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C=C1	REAL300000488915	0	45	-2.0	-100.93	402.09	8.75	-92.18
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1	REAL300000488916	0	34	-2.0	-93.91	318.27	5.48	-88.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C(F)(F)F	REAL300000488917	1	41	-2.0	-99.44	370.52	8.71	-90.73
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488918	0	38	-2.0	-100.87	364.94	6.86	-94.01
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488919	1	43	-2.0	-98.30	374.54	9.57	-88.73
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1	REAL300000488920	1	40	-2.0	-103.95	352.27	7.63	-96.32
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C1	REAL300000488921	0	34	-2.0	-95.01	342.02	6.33	-88.68
CN1C=NC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488922	0	35	-2.0	-109.88	320.12	6.29	-103.59
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=C12	REAL300000488924	1	43	-2.0	-97.43	382.41	6.91	-90.52
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=C12	REAL300000488925	0	39	-2.0	-93.98	356.62	4.19	-89.79
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300000488926	0	35	-2.0	-92.67	332.81	5.72	-86.95
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1	REAL300000488928	0	35	-2.0	-104.79	328.64	7.33	-97.46
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(F)=C1	REAL300000488929	0	39	-2.0	-105.21	354.08	6.76	-98.45
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1	REAL300000488930	0	37	-2.0	-106.95	353.95	9.12	-97.83
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488931	0	41	-2.0	-113.95	364.69	8.13	-105.82
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488931	1	40	-3.0	-159.79	365.28	8.57	-151.22
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1	REAL300000488932	0	41	-2.0	-108.20	359.23	6.83	-101.37
CC1=NC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CN1C	REAL300000488933	0	38	-2.0	-111.97	339.63	6.08	-105.89
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1	REAL300000488934	0	39	-2.0	-105.08	354.12	7.24	-97.84
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488935	1	44	-2.0	-105.06	393.52	8.78	-96.28
CCN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300000488936	0	38	-2.0	-99.91	342.18	5.76	-94.15
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488937	1	42	-2.0	-104.62	371.17	6.91	-97.71
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488938	0	41	-2.0	-109.13	368.50	8.66	-100.47
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C=C1	REAL300000488939	0	35	-2.0	-101.99	349.00	7.30	-94.69
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1	REAL300000488940	1	40	-2.0	-101.25	352.08	6.48	-94.77
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1	REAL300000488941	0	35	-2.0	-99.31	335.63	7.82	-91.49
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=C2)=CO1	REAL300000488942	1	44	-2.0	-104.86	393.26	6.26	-98.60
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=C1	REAL300000488945	1	39	-2.0	-96.71	361.17	4.06	-92.65
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488946	0	35	-2.0	-97.88	317.29	4.24	-93.64
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488947	1	39	-2.0	-104.31	346.37	6.50	-97.81
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488948	1	38	-2.0	-103.19	331.18	7.97	-95.22
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300000488949	0	41	-2.0	-107.22	380.30	5.27	-101.95
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300000488949	1	40	-3.0	-162.37	373.46	4.32	-158.05
CN1C=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=N1	REAL300000488950	0	35	-2.0	-108.02	320.94	4.73	-103.29
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488951	0	35	-2.0	-94.92	315.32	4.86	-90.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(F)=C1	REAL300000488956	0	38	-2.0	-106.44	343.78	7.94	-98.50
CC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1F	REAL300000488957	1	38	-2.0	-96.71	342.81	7.88	-88.83
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1	REAL300000488958	0	32	-2.0	-108.46	298.18	4.59	-103.87
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)O1	REAL300000488959	0	38	-2.0	-97.00	356.42	5.99	-91.01
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1	REAL300000488960	0	40	-2.0	-117.92	356.04	7.82	-110.10
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1	REAL300000488961	0	35	-2.0	-94.59	334.30	7.37	-87.22
CC1=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C(C(=O)[O-])S1	REAL300000488962	0	38	-2.0	-108.88	356.13	7.62	-101.26
CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C(C(=O)[O-])S1	REAL300000488962	1	37	-3.0	-165.30	354.26	7.64	-157.66
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1C	REAL300000488963	1	44	-2.0	-104.78	380.45	8.51	-96.27
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000488964	0	39	-2.0	-104.39	358.71	7.05	-97.34
CC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CN=C1Cl	REAL300000488965	0	37	-2.0	-94.20	347.52	6.42	-87.78
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488966	0	41	-2.0	-110.67	374.27	4.78	-105.89
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000488968	1	44	-2.0	-107.75	393.82	8.65	-99.10
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488970	0	47	-2.0	-101.60	395.28	7.80	-93.80
CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)SC=C1	REAL300000488971	0	35	-2.0	-103.59	326.84	6.82	-96.77
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1C	REAL300000488972	0	44	-2.0	-101.44	375.38	7.10	-94.34
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C	REAL300000488973	1	44	-2.0	-98.36	386.90	8.39	-89.97
CC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1[N+](=O)[O-]	REAL300000488974	0	40	-2.0	-92.49	360.31	8.37	-84.12
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C1	REAL300000488977	1	43	-2.0	-115.09	375.69	5.65	-109.44
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488978	1	39	-2.0	-99.39	352.37	8.35	-91.04
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1F	REAL300000488979	1	42	-2.0	-109.68	378.06	6.21	-103.47
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000488980	0	40	-2.0	-100.77	368.48	8.55	-92.22
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488981	1	47	-2.0	-100.42	368.44	9.85	-90.57
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1C	REAL300000488982	1	45	-2.0	-119.12	391.76	7.00	-112.12
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488983	0	39	-2.0	-104.14	354.52	7.67	-96.47
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488984	1	39	-2.0	-95.62	352.35	8.35	-87.27
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488985	1	47	-2.0	-103.71	380.83	10.41	-93.30
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(F)=C1	REAL300000488987	0	36	-2.0	-98.49	343.17	7.66	-90.83
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=C2O1	REAL300000488988	1	40	-2.0	-100.82	359.74	4.85	-95.97
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300000488989	0	41	-2.0	-100.32	360.86	6.28	-94.04
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000488990	0	40	-2.0	-104.35	353.94	3.67	-100.68
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1	REAL300000488991	1	40	-2.0	-103.08	357.07	7.58	-95.50
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300000488992	0	41	-2.0	-105.77	375.45	5.96	-99.81
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CN1	REAL300000488993	0	41	-2.0	-108.07	360.67	5.64	-102.43
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C([N+](=O)[O-])=C1	REAL300000488994	0	38	-2.0	-103.80	358.71	9.01	-94.79
CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=NN1C1=CC=CC=N1	REAL300000488997	0	44	-2.0	-104.73	390.67	8.43	-96.30
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300000488999	1	35	-2.0	-88.55	335.86	7.39	-81.16
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000489000	1	46	-2.0	-99.79	399.32	9.03	-90.76
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CN1C	REAL300000489002	0	42	-2.0	-104.95	377.26	7.30	-97.65
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000489003	1	50	-2.0	-102.02	407.30	9.99	-92.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(Cl)=C1	REAL300000489004	0	37	-3.0	-153.54	358.39	8.32	-145.22
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(Cl)=C1	REAL300000489004	1	38	-2.0	-103.40	360.23	8.29	-95.11
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1F	REAL300000489005	0	38	-2.0	-103.05	355.80	7.66	-95.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1F	REAL300000489005	1	37	-3.0	-154.89	349.85	7.80	-147.09
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489006	1	43	-2.0	-112.10	382.21	6.61	-105.49
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000489007	1	45	-2.0	-110.79	384.49	7.45	-103.34
CC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC(C)=C1F	REAL300000489008	1	41	-2.0	-97.34	363.14	8.53	-88.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300000489009	0	34	-3.0	-157.47	337.59	6.89	-150.58
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489010	0	44	-2.0	-110.23	380.65	8.45	-101.78
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489011	0	38	-2.0	-103.45	357.60	7.70	-95.75
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489011	1	37	-3.0	-161.05	350.98	7.81	-153.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1F	REAL300000489012	0	40	-3.0	-167.71	370.35	8.46	-159.25
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CN1	REAL300000489013	0	39	-2.0	-102.32	360.27	5.54	-96.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(F)=C1	REAL300000489014	0	37	-3.0	-155.32	350.80	7.83	-147.49
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(F)=C1	REAL300000489014	1	38	-2.0	-103.01	352.75	7.78	-95.23
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1Cl	REAL300000489015	0	38	-2.0	-99.73	363.76	8.02	-91.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1Cl	REAL300000489015	1	37	-3.0	-153.07	357.82	8.16	-144.91
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489016	1	38	-2.0	-99.49	336.49	8.01	-91.48
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1C	REAL300000489017	1	44	-2.0	-100.13	386.91	8.37	-91.76
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CS1	REAL300000489018	0	38	-2.0	-101.16	364.14	6.88	-94.28
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1F	REAL300000489019	1	41	-2.0	-96.02	375.42	7.87	-88.15
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300000489020	0	37	-2.0	-100.56	344.66	5.62	-94.94
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000489021	1	39	-2.0	-107.84	359.12	8.38	-99.46
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489022	1	43	-2.0	-91.41	374.45	9.53	-81.88
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1[O-]	REAL300000489023	1	43	-2.0	-100.78	385.26	3.98	-96.80
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489026	1	41	-2.0	-98.91	370.33	8.96	-89.95
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489027	1	41	-2.0	-103.88	358.99	8.62	-95.26
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489028	1	38	-2.0	-99.65	343.93	7.92	-91.73
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489030	0	41	-2.0	-98.09	373.99	6.64	-91.45
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=C1	REAL300000489031	1	41	-2.0	-98.90	368.25	6.26	-92.64
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC(F)=C1F	REAL300000489032	0	38	-2.0	-96.97	362.01	7.72	-89.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC(F)=C1F	REAL300000489032	1	37	-3.0	-157.13	355.38	7.85	-149.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C(F)C=C1F	REAL300000489034	0	38	-2.0	-99.17	348.32	7.95	-91.22
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1	REAL300000489035	1	41	-2.0	-110.44	357.15	9.51	-100.93
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1	REAL300000489036	0	37	-2.0	-99.90	348.86	6.68	-93.22
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489037	0	38	-3.0	-168.61	354.28	5.47	-163.14
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489037	1	38	-3.0	-166.75	353.46	6.26	-160.49
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1	REAL300000489038	1	45	-2.0	-105.92	372.18	9.83	-96.09
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000489039	0	41	-2.0	-99.24	373.24	8.42	-90.82
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000489039	1	40	-3.0	-159.74	366.74	8.53	-151.21
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)O1	REAL300000489040	0	41	-2.0	-97.05	378.28	6.92	-90.13
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1	REAL300000489041	0	37	-2.0	-92.82	350.73	7.92	-84.90
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489042	0	40	-2.0	-111.20	369.66	8.15	-103.05
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=CC=C21	REAL300000489043	1	47	-2.0	-101.77	406.83	8.73	-93.04
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489044	0	38	-2.0	-110.58	359.61	7.91	-102.67
COC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)SC=C1	REAL300000489045	0	36	-2.0	-109.56	336.42	6.21	-103.35
CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)OC2=CC=C(F)C=C12	REAL300000489046	0	41	-2.0	-100.67	369.84	8.48	-92.19
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300000489047	0	38	-2.0	-104.74	345.86	7.59	-97.15
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000489048	0	43	-2.0	-119.20	378.38	8.44	-110.76
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1F	REAL300000489049	0	40	-2.0	-100.55	370.15	8.56	-91.99
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489050	0	37	-2.0	-107.02	349.35	5.94	-101.08
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489052	0	35	-2.0	-93.18	332.90	6.11	-87.07
CN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)N=C1Cl	REAL300000489053	0	35	-2.0	-105.94	336.28	6.02	-99.92
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489054	1	43	-2.0	-105.53	375.09	5.79	-99.74
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CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489149	0	35	-2.0	-96.45	345.08	7.41	-89.04
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1	REAL300000489150	1	38	-2.0	-108.01	350.27	8.12	-99.89
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1	REAL300000489151	0	38	-2.0	-99.07	354.02	6.09	-92.98
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489152	1	39	-2.0	-108.82	352.19	8.25	-100.57
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C=C1	REAL300000489153	1	38	-2.0	-101.72	362.69	4.29	-97.43
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C=C1	REAL300000489154	0	43	-2.0	-96.98	386.31	8.48	-88.50
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489155	1	44	-2.0	-105.09	370.11	9.18	-95.91
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C)=CS1	REAL300000489156	0	41	-2.0	-110.52	371.35	8.38	-102.14
COC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1F	REAL300000489157	1	39	-2.0	-96.09	351.81	6.56	-89.53
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1	REAL300000489158	0	34	-2.0	-108.17	329.57	7.60	-100.57
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1	REAL300000489159	0	32	-2.0	-101.31	298.78	5.18	-96.13
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489160	0	34	-2.0	-90.67	311.34	3.61	-87.06
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=CN=C21	REAL300000489161	1	40	-2.0	-97.52	360.46	6.31	-91.21
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1	REAL300000489162	0	34	-2.0	-94.58	337.27	6.96	-87.62
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000489164	1	43	-2.0	-103.50	384.04	5.42	-98.08
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1	REAL300000489165	0	39	-2.0	-103.92	344.87	6.63	-97.29
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489166	0	36	-2.0	-99.29	350.02	8.15	-91.14
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C1	REAL300000489167	0	38	-2.0	-100.07	360.05	6.26	-93.81
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489168	1	41	-2.0	-101.56	346.30	8.90	-92.66
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489169	0	43	-2.0	-115.14	370.84	7.71	-107.43
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489171	0	38	-2.0	-106.01	335.50	8.14	-97.87
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C=C1	REAL300000489172	0	39	-2.0	-115.24	354.48	7.26	-107.98
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489173	0	48	-2.0	-100.89	407.20	8.69	-92.20
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=CC=C12	REAL300000489174	0	43	-2.0	-117.77	373.99	8.37	-109.40
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489176	1	39	-2.0	-106.12	367.36	4.49	-101.63
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1	REAL300000489177	0	36	-2.0	-109.11	340.88	5.49	-103.62
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489178	0	38	-2.0	-99.54	340.68	4.65	-94.89
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C1)OCO2	REAL300000489180	1	41	-2.0	-99.56	357.19	6.63	-92.93
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489182	0	41	-2.0	-101.74	366.36	8.40	-93.34
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000489183	1	45	-2.0	-101.90	389.39	7.03	-94.87
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489184	0	44	-2.0	-115.33	383.17	9.50	-105.83
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300000489186	0	38	-2.0	-105.61	361.84	4.70	-100.91
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300000489186	1	37	-3.0	-161.77	357.76	3.55	-158.22
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1F	REAL300000489187	1	42	-2.0	-102.16	378.06	6.22	-95.94
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300000489188	0	40	-2.0	-104.74	373.64	2.81	-101.93
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489189	1	39	-2.0	-105.40	348.94	8.45	-96.95
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489190	1	39	-2.0	-107.74	359.12	8.37	-99.37
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C1	REAL300000489191	0	35	-2.0	-96.66	346.73	8.28	-88.38
CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(N)=NO1	REAL300000489193	0	36	-2.0	-93.31	324.41	4.57	-88.74
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489194	0	39	-2.0	-105.26	361.86	7.52	-97.74
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1	REAL300000489195	0	36	-2.0	-97.64	344.37	5.97	-91.67
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489198	1	42	-2.0	-104.59	361.07	7.26	-97.33
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300000489201	0	33	-2.0	-93.99	329.37	6.76	-87.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300000489202	0	37	-2.0	-99.97	333.47	6.03	-93.94
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1	REAL300000489203	0	40	-2.0	-102.67	357.28	7.55	-95.12
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(F)=C1	REAL300000489204	0	41	-2.0	-101.12	377.12	7.93	-93.19
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1F	REAL300000489205	0	41	-2.0	-97.23	376.18	7.89	-89.34
CC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1C#N	REAL300000489206	1	39	-2.0	-95.53	356.06	8.09	-87.44
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1	REAL300000489207	0	34	-2.0	-89.05	334.61	5.88	-83.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(F)=C1	REAL300000489209	0	39	-2.0	-104.01	351.85	6.56	-97.45
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1[N+](=O)[O-]	REAL300000489210	0	43	-2.0	-114.06	377.65	10.39	-103.67
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C=C1	REAL300000489211	1	41	-2.0	-102.84	377.11	8.98	-93.86
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1	REAL300000489213	1	38	-2.0	-100.00	349.06	8.07	-91.93
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=C1	REAL300000489214	1	45	-2.0	-106.57	390.29	10.60	-95.97
CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)N(C)N=C1	REAL300000489216	0	38	-2.0	-95.57	333.73	5.66	-89.91
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)O1	REAL300000489218	0	33	-2.0	-95.00	320.80	5.74	-89.26
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1	REAL300000489219	0	32	-2.0	-99.17	307.21	6.10	-93.07
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1	REAL300000489220	0	32	-2.0	-99.87	298.63	5.08	-94.79
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489221	0	46	-2.0	-110.77	400.20	6.72	-104.05
CC1=CC(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000489222	0	41	-2.0	-105.15	367.25	8.16	-96.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300000489223	1	38	-2.0	-96.19	344.04	3.89	-92.30
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1	REAL300000489224	0	35	-2.0	-102.11	338.33	7.77	-94.34
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489226	1	46	-2.0	-102.90	394.74	8.32	-94.58
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489227	0	44	-2.0	-104.06	393.63	9.96	-94.10
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489228	0	44	-2.0	-103.89	389.46	9.67	-94.22
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C32)C=C1	REAL300000489229	0	38	-2.0	-103.83	353.44	8.56	-95.27
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)N(C)N=C1	REAL300000489230	0	44	-2.0	-102.64	387.92	7.20	-95.44
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=C2O1	REAL300000489231	0	46	-2.0	-114.32	393.96	8.37	-105.95
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1	REAL300000489232	0	38	-2.0	-107.42	342.73	5.82	-101.60
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489233	1	41	-2.0	-95.15	370.65	8.98	-86.17
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489234	1	42	-2.0	-104.30	368.22	7.43	-96.87
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1	REAL300000489235	0	35	-2.0	-103.66	338.45	8.05	-95.61
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=C2C=C1	REAL300000489237	1	44	-2.0	-104.95	383.40	10.13	-94.82
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1	REAL300000489238	0	32	-2.0	-100.91	320.84	6.82	-94.09
CC1=CSC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489239	0	35	-2.0	-101.28	329.68	6.86	-94.42
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1	REAL300000489240	0	32	-2.0	-98.54	314.38	4.00	-94.54
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1	REAL300000489241	0	34	-2.0	-97.18	323.79	5.31	-91.87
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489242	0	44	-2.0	-97.50	380.65	6.24	-91.26
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300000489243	0	44	-2.0	-96.59	385.27	5.74	-90.85
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1	REAL300000489246	0	38	-2.0	-99.07	352.27	7.66	-91.41
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489247	0	40	-2.0	-108.83	363.90	6.16	-102.67
CC1=NSC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489248	0	34	-2.0	-96.04	324.59	5.49	-90.55
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1	REAL300000489251	1	42	-2.0	-102.37	365.32	9.29	-93.08
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1	REAL300000489252	0	32	-2.0	-104.11	312.73	6.31	-97.80
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=CC=C2NC1=O	REAL300000489253	1	44	-2.0	-98.97	387.59	6.94	-92.03
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C=C1	REAL300000489254	0	41	-2.0	-114.51	376.93	5.61	-108.90
CN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300000489255	0	38	-2.0	-102.12	354.74	6.05	-96.07
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1	REAL300000489256	1	44	-2.0	-102.03	380.91	8.79	-93.24
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1F	REAL300000489257	1	36	-2.0	-92.94	342.81	7.63	-85.31
CC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000489260	0	40	-2.0	-94.68	369.23	8.57	-86.11
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489261	0	41	-2.0	-111.57	366.36	8.54	-103.03
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=C1	REAL300000489262	0	36	-2.0	-100.46	349.75	6.49	-93.97
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C1	REAL300000489265	0	35	-2.0	-94.14	349.45	7.40	-86.74
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1	REAL300000489266	0	32	-2.0	-103.45	297.72	3.77	-99.68
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1	REAL300000489267	0	40	-2.0	-107.56	353.10	4.10	-103.46
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300000489268	0	38	-2.0	-104.33	349.49	7.64	-96.69
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CN=C1C	REAL300000489269	0	43	-2.0	-95.08	382.36	6.53	-88.55
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1	REAL300000489270	0	36	-2.0	-91.83	340.25	6.06	-85.77
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489271	0	37	-2.0	-93.78	343.66	6.57	-87.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1C(F)(F)F	REAL300000489272	1	41	-2.0	-95.69	370.52	8.70	-86.99
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489273	1	44	-2.0	-108.98	393.06	8.62	-100.36
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=C1	REAL300000489274	1	37	-2.0	-93.15	356.62	7.07	-86.08
CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=NN1C	REAL300000489278	0	38	-2.0	-100.79	337.62	5.46	-95.33
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000489279	1	39	-2.0	-102.94	347.19	8.28	-94.66
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489280	0	38	-2.0	-100.96	339.49	5.56	-95.40
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489281	1	42	-2.0	-100.43	387.91	7.42	-93.01
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489282	0	35	-2.0	-93.42	332.73	5.80	-87.62
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C=C1	REAL300000489284	1	40	-2.0	-100.39	362.52	4.40	-95.99
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1	REAL300000489286	0	35	-2.0	-99.01	332.55	4.73	-94.28
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C1	REAL300000489287	0	41	-2.0	-100.40	366.77	6.92	-93.48
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C=C1	REAL300000489289	0	43	-2.0	-93.88	387.26	5.75	-88.13
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C=C1	REAL300000489290	1	42	-2.0	-107.38	372.11	6.94	-100.44
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C=C1	REAL300000489291	0	38	-2.0	-98.98	353.34	4.76	-94.22
COC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1Cl	REAL300000489292	1	39	-2.0	-96.60	361.62	7.04	-89.56
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300000489293	0	39	-2.0	-111.22	367.70	3.83	-107.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1F	REAL300000489294	0	37	-3.0	-175.40	348.97	7.79	-167.61
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C1	REAL300000489295	0	32	-2.0	-106.75	316.56	5.13	-101.62
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1	REAL300000489296	0	37	-2.0	-112.79	347.30	6.61	-106.18
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1	REAL300000489297	1	40	-2.0	-105.53	351.93	7.01	-98.52
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C1	REAL300000489299	0	41	-2.0	-110.16	366.61	9.50	-100.66
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C=C1	REAL300000489300	0	38	-2.0	-106.17	356.26	6.26	-99.91
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489301	0	38	-2.0	-102.48	342.66	8.70	-93.78
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1	REAL300000489302	0	40	-2.0	-111.79	353.18	7.02	-104.77
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(F)=C1	REAL300000489308	0	38	-2.0	-108.93	346.01	8.14	-100.79
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C1	REAL300000489309	0	34	-2.0	-94.83	341.91	6.39	-88.44
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=CC=C21	REAL300000489310	1	40	-2.0	-101.58	359.97	5.64	-95.94
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000489312	0	41	-2.0	-95.46	368.37	8.30	-87.16
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000489312	1	40	-3.0	-161.41	369.52	8.42	-152.99
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489314	0	39	-2.0	-105.44	351.54	7.06	-98.38
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C=C1	REAL300000489315	1	38	-2.0	-93.57	355.68	6.30	-87.27
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000489316	1	43	-2.0	-100.35	378.50	9.01	-91.34
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1Cl	REAL300000489318	0	38	-2.0	-93.51	359.37	4.42	-89.09
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489319	0	34	-2.0	-93.44	313.79	5.16	-88.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1Cl	REAL300000489320	1	38	-2.0	-97.51	351.56	8.28	-89.23
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1	REAL300000489321	1	41	-2.0	-111.65	364.20	8.17	-103.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C([N+](=O)[O-])S1	REAL300000489322	0	37	-2.0	-108.45	350.68	8.39	-100.06
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=C1	REAL300000489324	1	38	-2.0	-96.92	358.87	5.39	-91.53
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1	REAL300000489325	0	34	-2.0	-104.63	317.36	5.39	-99.24
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1	REAL300000489328	0	34	-2.0	-93.19	318.27	5.35	-87.84
N#CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=CS1	REAL300000489330	0	33	-2.0	-105.80	326.52	6.59	-99.21
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1	REAL300000489333	1	35	-2.0	-94.05	339.46	7.77	-86.28
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C1	REAL300000489334	0	44	-2.0	-107.86	378.57	7.56	-100.30
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1	REAL300000489335	0	43	-2.0	-111.65	368.29	8.41	-103.24
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489336	0	45	-2.0	-102.23	390.36	6.16	-96.07
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489342	1	42	-2.0	-111.99	372.80	4.64	-107.35
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)N(C)N=C1	REAL300000489345	0	41	-2.0	-102.44	366.06	6.27	-96.17
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)N1C	REAL300000489348	0	38	-2.0	-99.49	336.05	6.24	-93.25
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489349	1	48	-2.0	-102.44	406.16	8.86	-93.58
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1F	REAL300000489352	0	40	-2.0	-106.06	363.86	9.31	-96.75
CCC1=NC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CN1CC1CC1	REAL300000489353	0	48	-2.0	-111.06	410.97	8.98	-102.08
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)O1	REAL300000489354	0	41	-2.0	-97.89	373.53	6.56	-91.33
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1	REAL300000489355	0	38	-2.0	-99.19	355.85	6.69	-92.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C)=C1[N+](=O)[O-]	REAL300000489356	1	43	-2.0	-98.45	380.16	9.51	-88.94
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489357	0	38	-2.0	-89.53	356.48	5.83	-83.70
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1	REAL300000489358	0	34	-2.0	-97.83	334.25	5.80	-92.03
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=C1	REAL300000489359	1	45	-2.0	-112.98	382.20	10.59	-102.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(F)=C1F	REAL300000489361	0	38	-2.0	-104.82	348.96	7.98	-96.84
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)OC=C1	REAL300000489362	0	38	-2.0	-111.20	353.14	6.22	-104.98
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=N1	REAL300000489364	0	37	-2.0	-113.61	343.94	6.18	-107.43
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C)=N1	REAL300000489365	0	47	-2.0	-100.46	404.02	7.95	-92.51
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489366	0	36	-3.0	-166.54	341.55	5.89	-160.65
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489367	0	39	-2.0	-102.09	349.66	7.36	-94.73
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1F	REAL300000489368	1	47	-2.0	-99.16	395.09	9.46	-89.70
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489369	1	36	-2.0	-94.14	343.35	7.66	-86.48
CN1N=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1C(F)(F)F	REAL300000489370	0	38	-2.0	-97.66	350.44	5.83	-91.83
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1	REAL300000489371	0	37	-2.0	-113.93	339.27	6.38	-107.55
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1	REAL300000489371	1	37	-2.0	-101.08	339.38	6.23	-94.85
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C32)C=C1	REAL300000489372	0	39	-2.0	-109.45	349.84	7.15	-102.30
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489373	0	45	-2.0	-99.27	377.08	7.30	-91.97
CN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C(C)(C)C)=N1	REAL300000489374	0	47	-2.0	-99.42	384.49	7.80	-91.62
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1	REAL300000489376	0	45	-2.0	-100.17	383.57	7.54	-92.63
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489377	0	38	-2.0	-94.07	351.16	6.09	-87.98
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1	REAL300000489379	0	36	-2.0	-89.80	331.46	5.72	-84.08
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1	REAL300000489379	1	36	-2.0	-100.79	333.06	4.96	-95.83
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489381	0	38	-2.0	-114.71	347.86	4.86	-109.85
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489382	0	41	-2.0	-100.69	358.96	6.35	-94.34
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1F	REAL300000489383	1	40	-2.0	-102.62	364.16	7.77	-94.85
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300000489384	0	35	-2.0	-95.56	321.30	4.55	-91.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C#N)=C1	REAL300000489385	0	39	-2.0	-109.00	355.61	8.12	-100.88
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489386	0	39	-2.0	-108.88	347.80	8.43	-100.45
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=C1	REAL300000489387	1	38	-2.0	-97.95	355.29	8.14	-89.81
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000489389	1	42	-2.0	-105.99	379.85	9.14	-96.85
COC1=NSC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489391	0	35	-2.0	-93.10	335.35	2.99	-90.11
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1	REAL300000489393	0	31	-2.0	-95.46	303.61	4.91	-90.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489396	0	41	-3.0	-159.99	373.54	7.56	-152.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489396	1	42	-2.0	-107.92	375.52	7.51	-100.41
CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C(C(N)=O)O1	REAL300000489397	0	39	-2.0	-100.74	357.47	2.77	-97.97
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489398	1	44	-2.0	-101.98	367.80	9.68	-92.30
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1	REAL300000489399	0	35	-2.0	-107.26	331.59	7.33	-99.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C(Cl)O1	REAL300000489401	0	34	-3.0	-155.56	344.71	6.74	-148.82
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1	REAL300000489402	1	40	-2.0	-110.74	352.35	7.69	-103.05
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489403	0	42	-2.0	-103.82	378.29	7.39	-96.43
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1F	REAL300000489404	0	36	-2.0	-104.80	342.69	7.62	-97.18
CN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)N=N1	REAL300000489405	0	34	-2.0	-103.52	315.67	3.52	-100.00
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489406	0	38	-2.0	-93.83	370.66	6.47	-87.36
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1	REAL300000489407	0	42	-2.0	-99.92	366.00	6.88	-93.04
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1	REAL300000489408	0	42	-2.0	-96.98	364.08	7.10	-89.88
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1	REAL300000489409	0	45	-2.0	-95.43	375.92	8.01	-87.42
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=NN2C1	REAL300000489410	0	46	-2.0	-107.65	391.16	5.19	-102.46
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C1	REAL300000489411	1	41	-2.0	-100.03	366.82	4.42	-95.61
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C1	REAL300000489412	0	32	-2.0	-100.75	320.98	5.79	-94.96
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1F	REAL300000489413	1	39	-2.0	-92.66	361.98	6.74	-85.92
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1	REAL300000489414	0	42	-2.0	-101.90	359.01	7.25	-94.65
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1F	REAL300000489415	0	39	-2.0	-100.18	357.31	6.62	-93.56
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489416	0	45	-2.0	-107.25	390.56	8.58	-98.67
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489417	0	38	-2.0	-98.43	339.15	7.90	-90.53
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=C2O1	REAL300000489418	0	43	-2.0	-112.66	374.26	7.79	-104.87
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300000489419	0	43	-2.0	-99.13	385.54	6.87	-92.26
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=C2)CC1	REAL300000489420	1	43	-2.0	-103.99	385.10	9.42	-94.57
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489421	0	39	-2.0	-104.30	353.34	7.86	-96.44
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1	REAL300000489422	0	32	-2.0	-99.97	321.56	6.62	-93.35
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C1	REAL300000489423	0	37	-2.0	-93.08	350.76	6.36	-86.72
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489424	0	40	-2.0	-115.75	356.79	6.80	-108.95
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489425	0	37	-2.0	-90.46	332.10	4.53	-85.93
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1	REAL300000489427	1	36	-2.0	-91.79	331.75	5.99	-85.80
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1	REAL300000489428	0	38	-2.0	-104.02	355.71	8.62	-95.40
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C1	REAL300000489429	0	38	-2.0	-117.70	361.01	6.90	-110.80
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489430	0	42	-2.0	-97.40	368.03	6.91	-90.49
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1OC	REAL300000489432	0	43	-2.0	-106.68	372.65	7.13	-99.55
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C32)C=C1	REAL300000489433	0	38	-2.0	-104.63	345.87	7.47	-97.16
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1OC	REAL300000489434	0	43	-2.0	-109.32	376.33	7.53	-101.79
CN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C2CCCC2)=N1	REAL300000489435	0	48	-2.0	-103.94	404.86	8.09	-95.85
N#CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C2=CC=CC=C2S1	REAL300000489436	0	39	-2.0	-105.53	367.72	9.14	-96.39
CN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C2CC2)=N1	REAL300000489437	0	42	-2.0	-103.19	371.40	7.12	-96.07
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1	REAL300000489439	0	38	-2.0	-109.06	346.30	6.41	-102.65
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=CC=C21	REAL300000489440	0	40	-2.0	-119.02	361.41	5.60	-113.42
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=C21	REAL300000489441	0	42	-2.0	-103.43	357.05	9.11	-94.32
CC1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CN=C1N	REAL300000489442	1	39	-2.0	-101.66	344.88	4.91	-96.75
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489443	0	35	-2.0	-100.01	333.41	3.06	-96.95
CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)N=CN1	REAL300000489444	0	35	-2.0	-108.37	314.92	5.31	-103.06
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1	REAL300000489446	1	38	-2.0	-100.71	349.81	7.58	-93.13
CN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C2CCC2)=N1	REAL300000489447	0	45	-2.0	-103.05	388.33	7.61	-95.44
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1	REAL300000489448	0	32	-2.0	-99.25	322.71	6.74	-92.51
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1	REAL300000489449	0	45	-2.0	-100.43	390.06	7.83	-92.60
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1	REAL300000489450	0	39	-2.0	-107.60	355.87	8.22	-99.38
COC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C2=NC=CC=C2C=C1	REAL300000489451	0	44	-2.0	-125.48	382.30	8.40	-117.08
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489452	1	44	-2.0	-103.87	380.48	9.40	-94.47
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489453	0	41	-2.0	-94.18	371.37	5.60	-88.58
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489454	0	36	-2.0	-104.52	341.38	7.56	-96.96
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489455	0	42	-2.0	-100.19	361.78	6.72	-93.47
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489458	0	44	-2.0	-95.00	363.08	7.10	-87.90
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300000489459	0	44	-2.0	-100.64	380.63	6.91	-93.73
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1	REAL300000489460	0	42	-2.0	-100.60	364.56	6.29	-94.31
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300000489461	0	46	-2.0	-99.98	390.37	8.00	-91.98
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C=C1	REAL300000489462	0	37	-2.0	-87.38	355.13	7.93	-79.45
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1	REAL300000489463	1	38	-2.0	-102.00	344.86	8.02	-93.98
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C1	REAL300000489464	0	35	-2.0	-101.04	337.64	7.58	-93.46
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C1	REAL300000489465	0	35	-2.0	-94.15	348.61	7.31	-86.84
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489466	0	38	-2.0	-95.82	337.25	5.45	-90.37
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1C	REAL300000489468	1	41	-2.0	-103.50	348.59	8.49	-95.01
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1	REAL300000489469	0	38	-2.0	-101.31	343.90	8.21	-93.10
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489470	1	46	-2.0	-111.45	400.69	9.22	-102.23
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000489472	1	44	-2.0	-102.74	395.28	8.85	-93.89
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1Cl	REAL300000489473	0	36	-2.0	-101.77	349.49	8.05	-93.72
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1	REAL300000489474	0	35	-2.0	-102.06	336.11	7.42	-94.64
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1	REAL300000489475	1	42	-2.0	-103.59	366.09	9.31	-94.28
COC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=CS1	REAL300000489476	0	36	-2.0	-106.07	338.37	5.63	-100.44
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489477	0	41	-2.0	-97.84	381.07	7.50	-90.34
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1	REAL300000489478	0	42	-2.0	-105.69	370.83	9.35	-96.34
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1	REAL300000489479	0	45	-2.0	-97.63	380.86	7.80	-89.83
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489480	0	44	-2.0	-96.93	376.82	7.09	-89.84
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300000489481	1	44	-2.0	-108.26	387.04	4.74	-103.52
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C2=N1	REAL300000489483	0	40	-2.0	-111.80	359.71	5.55	-106.25
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)O1	REAL300000489484	0	38	-2.0	-102.02	342.96	6.80	-95.22
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1	REAL300000489485	0	35	-2.0	-95.48	340.73	6.42	-89.06
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489486	0	39	-2.0	-98.68	357.05	7.10	-91.58
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489487	1	41	-2.0	-102.01	369.31	8.72	-93.29
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1	REAL300000489488	1	39	-2.0	-101.81	356.12	6.78	-95.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300000489489	0	36	-2.0	-99.48	339.90	5.64	-93.84
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000489490	0	46	-2.0	-118.51	387.54	9.53	-108.98
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1	REAL300000489492	0	38	-2.0	-97.51	348.77	5.90	-91.61
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489493	1	45	-2.0	-104.76	393.02	7.87	-96.89
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489494	0	45	-2.0	-97.80	394.77	8.44	-89.36
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1	REAL300000489495	0	48	-2.0	-99.81	402.49	8.12	-91.69
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1	REAL300000489496	1	38	-2.0	-105.20	336.66	8.15	-97.05
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1	REAL300000489497	0	38	-2.0	-106.62	341.59	7.59	-99.03
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1	REAL300000489498	1	37	-2.0	-103.55	347.04	6.58	-96.97
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=N1	REAL300000489499	0	37	-2.0	-100.06	336.81	4.05	-96.01
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1Cl	REAL300000489500	0	38	-2.0	-97.94	357.79	6.11	-91.83
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1	REAL300000489501	0	32	-2.0	-96.36	316.62	5.82	-90.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000489502	1	44	-2.0	-111.04	374.87	10.04	-101.00
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C1	REAL300000489504	0	35	-2.0	-97.20	344.39	7.82	-89.38
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)O1	REAL300000489505	0	41	-2.0	-111.96	379.72	3.49	-108.47
CN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C2=CC=CC=C2)=N1	REAL300000489506	0	45	-2.0	-104.83	393.53	8.61	-96.22
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1	REAL300000489508	0	39	-2.0	-102.47	359.91	8.52	-93.95
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300000489509	0	38	-2.0	-92.99	361.55	8.01	-84.98
CC1=COC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489511	0	35	-2.0	-101.22	321.46	5.87	-95.35
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=NN1	REAL300000489512	0	41	-2.0	-100.03	377.07	5.01	-95.02
COC1=CSC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1OC	REAL300000489513	0	40	-2.0	-102.62	366.73	5.94	-96.68
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1	REAL300000489514	0	34	-2.0	-88.78	334.50	5.84	-82.94
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489515	0	41	-2.0	-100.26	361.24	7.14	-93.12
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=CC=C21	REAL300000489516	1	42	-2.0	-108.74	369.82	8.96	-99.78
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=C1	REAL300000489517	0	32	-2.0	-91.71	341.95	7.30	-84.41
CN1N=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1Cl	REAL300000489518	0	35	-2.0	-97.62	335.99	5.24	-92.38
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C=C1	REAL300000489519	1	40	-2.0	-99.69	368.32	7.84	-91.85
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489520	0	41	-2.0	-113.70	353.94	9.02	-104.68
N#CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)OC=C1	REAL300000489521	0	33	-2.0	-102.43	321.03	5.64	-96.79
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489522	0	37	-2.0	-93.79	343.85	6.58	-87.21
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489523	1	46	-2.0	-105.20	399.44	8.80	-96.40
CCN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C2CC2)=N1	REAL300000489524	0	45	-2.0	-103.28	392.90	7.98	-95.30
CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C2=NSN=C2C=C1	REAL300000489525	0	39	-2.0	-109.02	354.36	6.53	-102.49
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489528	0	48	-2.0	-100.18	404.01	8.33	-91.85
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1	REAL300000489529	0	32	-2.0	-98.77	315.61	5.70	-93.07
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1	REAL300000489530	0	32	-2.0	-96.20	325.69	6.72	-89.48
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489531	0	43	-2.0	-97.27	369.18	4.93	-92.34
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1	REAL300000489532	1	42	-2.0	-106.00	359.66	9.36	-96.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C)=N1	REAL300000489536	1	41	-2.0	-96.22	358.95	4.62	-91.60
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489537	0	41	-2.0	-106.41	363.52	5.02	-101.39
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489538	0	38	-2.0	-100.53	358.82	4.86	-95.67
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C	REAL300000489539	1	41	-2.0	-97.11	363.41	4.60	-92.51
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300000489540	0	44	-2.0	-100.07	383.49	7.30	-92.77
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489541	0	44	-2.0	-101.11	379.66	6.93	-94.18
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C1	REAL300000489542	0	34	-2.0	-99.68	343.43	5.18	-94.50
N#CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=CO1	REAL300000489543	0	33	-2.0	-102.20	319.80	5.60	-96.60
N#CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)SC=C1	REAL300000489544	0	33	-2.0	-104.19	325.58	6.57	-97.62
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489545	0	41	-2.0	-96.61	357.83	6.44	-90.17
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C	REAL300000489546	0	43	-2.0	-94.67	383.65	6.57	-88.10
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489547	0	38	-2.0	-107.29	357.99	8.99	-98.30
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1	REAL300000489548	0	42	-2.0	-95.26	363.86	7.43	-87.83
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1	REAL300000489549	0	42	-2.0	-101.14	369.83	8.35	-92.79
CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=NN1C(C)C	REAL300000489551	0	44	-2.0	-101.27	379.17	6.99	-94.28
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=C1	REAL300000489552	1	42	-2.0	-104.76	378.37	9.44	-95.32
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1	REAL300000489553	0	37	-2.0	-102.04	346.10	6.31	-95.73
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C=C1	REAL300000489555	1	42	-2.0	-103.75	375.96	9.38	-94.37
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)C=C1	REAL300000489556	0	39	-2.0	-103.81	367.33	7.66	-96.15
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1	REAL300000489557	1	36	-2.0	-103.02	327.13	4.33	-98.69
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489558	1	44	-2.0	-106.00	380.95	8.86	-97.14
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C1	REAL300000489559	0	38	-2.0	-105.35	353.78	8.12	-97.23
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1	REAL300000489560	0	31	-2.0	-93.22	302.52	4.79	-88.43
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1	REAL300000489561	0	39	-2.0	-103.43	360.98	6.32	-97.11
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=C1	REAL300000489562	1	42	-2.0	-102.43	370.19	9.46	-92.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C(F)F)=C1	REAL300000489563	1	42	-2.0	-107.60	367.31	7.79	-99.81
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489564	0	40	-2.0	-109.21	356.90	6.77	-102.44
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300000489565	0	41	-2.0	-117.24	369.99	8.71	-108.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C2=NC=CC=C12	REAL300000489566	0	43	-2.0	-118.26	373.83	8.36	-109.90
CCC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000489567	0	40	-3.0	-161.11	367.46	7.75	-153.36
CCC1=C(S(=O)(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000489567	1	41	-2.0	-106.87	369.31	7.18	-99.69
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489568	0	48	-2.0	-111.64	405.55	9.19	-102.45
CC1=C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C(Cl)S1	REAL300000489569	0	35	-2.0	-95.69	342.66	7.57	-88.12
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1	REAL300000489570	0	31	-2.0	-97.86	302.69	4.30	-93.56
O=C([O-])[C@@H]1C[C@H]1C1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1	REAL300000489571	0	42	-2.0	-102.30	361.82	6.51	-95.79
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300000489572	0	38	-2.0	-107.38	343.01	7.91	-99.47
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=NN1C	REAL300000489573	0	41	-2.0	-93.98	381.42	2.84	-91.14
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1C	REAL300000489574	0	34	-2.0	-110.19	329.51	4.28	-105.91
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=NN1C	REAL300000489575	0	42	-2.0	-111.36	384.58	5.36	-106.00
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1C	REAL300000489576	0	34	-2.0	-100.27	324.95	4.26	-96.01
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1C	REAL300000489577	0	34	-2.0	-112.74	324.97	4.25	-108.49
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=NN1C	REAL300000489578	0	38	-2.0	-118.08	353.11	4.06	-114.02
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1C	REAL300000489579	0	38	-2.0	-99.97	356.42	5.54	-94.43
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1C	REAL300000489580	0	37	-2.0	-113.89	340.99	4.78	-109.11
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NN1C	REAL300000489581	0	34	-2.0	-108.24	338.04	4.80	-103.44
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN1C	REAL300000489582	0	34	-2.0	-108.54	337.49	4.64	-103.90
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=NN1C	REAL300000489583	0	40	-2.0	-115.55	357.64	5.60	-109.95
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1C	REAL300000489584	0	34	-2.0	-109.77	330.44	4.31	-105.46
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1C	REAL300000489585	0	40	-2.0	-99.22	368.53	5.84	-93.38
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1C	REAL300000489586	0	31	-2.0	-106.92	318.16	3.27	-103.65
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1C	REAL300000489587	0	37	-2.0	-113.54	340.40	5.03	-108.51
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NN1C	REAL300000489588	0	38	-2.0	-98.67	356.05	4.53	-94.14
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1C	REAL300000489589	0	35	-2.0	-111.19	331.62	3.59	-107.60
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NN1C	REAL300000489590	0	38	-2.0	-114.27	348.76	3.10	-111.17
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1C	REAL300000489591	0	34	-2.0	-102.97	334.08	3.93	-99.04
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=NN1C	REAL300000489592	0	40	-2.0	-116.15	360.42	5.67	-110.48
COC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1C	REAL300000489593	0	31	-2.0	-108.39	316.62	3.27	-105.12
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=NN1C	REAL300000489594	0	42	-2.0	-113.11	383.29	4.06	-109.05
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=NN1C	REAL300000489595	0	38	-2.0	-118.69	352.26	4.32	-114.37
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=NN1C	REAL300000489596	0	44	-2.0	-117.23	380.20	6.89	-110.34
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=NN1C	REAL300000489597	0	43	-2.0	-115.59	378.87	6.26	-109.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(=O)OC)=C1	REAL300000489598	0	40	-2.0	-111.94	355.10	5.97	-105.97
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=NN1C	REAL300000489599	0	41	-2.0	-117.66	375.40	4.82	-112.84
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=NN1C	REAL300000489600	0	36	-3.0	-187.45	353.37	4.81	-182.64
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=NN1C	REAL300000489601	0	41	-2.0	-117.50	369.21	6.14	-111.36
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1C	REAL300000489602	0	34	-2.0	-106.42	327.97	3.39	-103.03
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=NN1C	REAL300000489603	0	40	-2.0	-117.49	367.14	4.02	-113.47
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=NN1C	REAL300000489604	0	38	-2.0	-114.17	353.89	3.35	-110.82
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=NN1C	REAL300000489605	0	42	-2.0	-100.03	378.60	4.87	-95.16
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=NN1C	REAL300000489606	0	34	-2.0	-104.91	342.56	4.83	-100.08
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=NN1C	REAL300000489607	0	41	-2.0	-99.15	376.12	5.24	-93.91
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NN1C	REAL300000489608	0	37	-2.0	-104.00	345.68	5.07	-98.93
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=NN1C	REAL300000489609	0	38	-2.0	-98.11	362.27	4.60	-93.51
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000489610	0	41	-2.0	-119.27	374.11	5.22	-114.05
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1C	REAL300000489611	0	34	-2.0	-109.92	333.60	4.14	-105.78
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NN1C	REAL300000489612	0	34	-2.0	-97.97	338.02	4.80	-93.17
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1C	REAL300000489613	0	34	-2.0	-99.72	329.51	4.29	-95.43
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1C	REAL300000489614	0	31	-2.0	-101.78	317.23	3.38	-98.40
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1C	REAL300000489615	0	34	-2.0	-103.52	331.38	4.32	-99.20
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=NN1C	REAL300000489616	0	37	-2.0	-111.09	350.72	4.95	-106.14
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1C	REAL300000489617	0	34	-2.0	-99.64	330.43	4.32	-95.32
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1C	REAL300000489618	0	34	-2.0	-97.82	337.47	4.65	-93.17
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=NN1C	REAL300000489619	0	37	-2.0	-105.66	354.41	5.45	-100.21
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=NN1C	REAL300000489620	0	42	-2.0	-96.74	388.71	5.66	-91.08
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NN1C	REAL300000489621	0	34	-2.0	-101.66	335.79	4.34	-97.32
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=NN1C	REAL300000489622	0	36	-2.0	-97.63	353.16	4.92	-92.71
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1C	REAL300000489623	0	35	-2.0	-112.22	334.69	1.98	-110.24
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1C	REAL300000489624	0	37	-2.0	-103.61	347.13	5.03	-98.58
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=NN1C	REAL300000489625	0	34	-2.0	-103.15	345.68	4.78	-98.37
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1C	REAL300000489626	0	37	-2.0	-109.20	335.04	4.89	-104.31
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=NN1C	REAL300000489627	0	37	-2.0	-111.54	349.82	4.90	-106.64
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1C	REAL300000489628	0	37	-2.0	-100.52	340.38	5.02	-95.50
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=NN1C	REAL300000489629	0	40	-2.0	-115.81	357.85	5.32	-110.49
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=NN1C	REAL300000489630	0	36	-2.0	-110.98	351.54	5.35	-105.63
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NN1C	REAL300000489631	0	34	-2.0	-101.37	336.73	4.38	-96.99
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1C	REAL300000489632	0	40	-2.0	-113.35	359.44	5.63	-107.72
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=NN1C	REAL300000489633	0	37	-2.0	-110.78	346.46	4.85	-105.93
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=NN1C	REAL300000489634	0	37	-2.0	-109.95	356.73	5.38	-104.57
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=NN1C	REAL300000489635	0	37	-2.0	-117.70	350.00	4.94	-112.76
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000489636	0	40	-2.0	-114.59	359.26	5.44	-109.15
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=NN1C	REAL300000489637	0	41	-2.0	-115.55	375.44	4.38	-111.17
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=NN1C	REAL300000489638	0	37	-2.0	-102.32	351.23	5.43	-96.89
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=NN1C	REAL300000489639	0	37	-2.0	-110.33	356.20	5.21	-105.12
CCN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000489640	0	38	-2.0	-112.46	352.99	4.47	-107.99
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=NN1C	REAL300000489641	0	46	-2.0	-113.81	390.12	7.13	-106.68
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=NN1C	REAL300000489642	0	37	-2.0	-106.02	354.83	5.22	-100.80
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1C	REAL300000489643	0	37	-2.0	-101.99	345.04	4.90	-97.09
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=NN1C	REAL300000489644	0	39	-2.0	-105.86	368.23	6.45	-99.41
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NN1C	REAL300000489645	0	37	-2.0	-111.19	344.51	5.10	-106.09
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=NN1C	REAL300000489646	0	36	-2.0	-120.15	348.71	6.11	-114.04
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1C	REAL300000489647	0	34	-2.0	-116.95	328.63	4.28	-112.67
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NN1C	REAL300000489648	0	37	-2.0	-104.33	346.13	4.82	-99.51
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=NN1C	REAL300000489649	0	40	-2.0	-120.97	366.01	6.37	-114.60
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1C	REAL300000489650	0	33	-2.0	-110.34	321.18	2.37	-107.97
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=NN1C	REAL300000489651	0	38	-2.0	-104.63	353.17	4.06	-100.57
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1C	REAL300000489652	0	31	-2.0	-100.29	325.12	3.22	-97.07
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=NN1C	REAL300000489653	0	41	-2.0	-106.80	371.10	6.14	-100.66
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=NN1C	REAL300000489654	0	41	-2.0	-110.79	370.41	6.14	-104.65
CCC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000489655	0	37	-2.0	-106.27	347.09	4.24	-102.03
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000489656	1	33	-2.0	-101.42	329.88	0.06	-101.36
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1F	REAL300000489657	1	33	-2.0	-92.74	325.38	0.03	-92.71
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000489658	1	33	-2.0	-104.95	325.40	0.02	-104.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000489659	1	36	-2.0	-107.14	345.41	0.67	-106.47
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000489660	0	33	-2.0	-101.27	330.82	0.09	-101.18
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000489661	0	30	-2.0	-99.25	318.53	-0.96	-100.21
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(S(N)(=O)=O)=C1	REAL300000489662	1	36	-2.0	-105.34	340.77	0.81	-104.53
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000489663	0	34	-2.0	-103.37	332.05	-0.62	-103.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(S(N)(=O)=O)=C2)=C1	REAL300000489664	0	33	-2.0	-94.88	334.46	-0.29	-95.17
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000489665	0	30	-2.0	-99.61	316.99	-0.94	-100.55
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(S(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000489666	0	33	-2.0	-99.14	328.41	-0.84	-99.98
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(S(N)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300000489667	0	33	-2.0	-102.07	333.94	-0.08	-102.15
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000489668	1	33	-2.0	-92.50	329.87	0.07	-92.43
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000489669	0	30	-2.0	-94.00	317.67	-0.85	-94.85
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000489670	1	33	-2.0	-96.01	331.80	0.09	-95.92
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000489671	0	33	-2.0	-91.86	330.86	0.09	-91.77
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000489672	0	34	-2.0	-104.09	335.06	-2.26	-106.35
NS(=O)(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000489672	1	34	-2.0	-108.42	334.15	-1.39	-109.81
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000489673	1	36	-2.0	-95.40	347.53	0.81	-94.59
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(S(N)(=O)=O)=C1	REAL300000489674	1	36	-2.0	-100.35	335.41	0.67	-99.68
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000489676	0	37	-2.0	-104.46	353.37	0.24	-104.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(S(N)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000489677	1	36	-2.0	-92.73	341.40	0.57	-92.16
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000489678	0	33	-2.0	-107.76	329.00	0.06	-107.70
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000489679	0	32	-2.0	-102.28	321.63	-1.85	-104.13
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000489680	0	30	-2.0	-92.95	325.54	-1.00	-93.95
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(S(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000489681	0	36	-2.0	-98.82	347.48	0.01	-98.81
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000489682	0	44	-2.0	-114.38	386.06	4.40	-109.98
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000489683	0	39	-2.0	-123.51	358.64	4.83	-118.68
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000489684	0	38	-2.0	-106.18	361.99	3.17	-103.01
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000489685	0	40	-2.0	-112.47	371.00	4.93	-107.54
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000489686	0	40	-2.0	-108.26	370.93	4.94	-103.32
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000489687	0	40	-2.0	-124.09	368.25	4.84	-119.25
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000489688	0	41	-3.0	-168.21	378.59	5.11	-163.10
COCCOC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000489688	1	42	-2.0	-105.51	378.48	5.05	-100.46
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000489689	0	46	-2.0	-118.04	395.65	6.45	-111.59
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)ON=C1C	REAL300000489690	0	41	-2.0	-105.65	363.22	3.50	-102.15
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000489691	0	41	-3.0	-182.85	378.60	5.10	-177.75
COCCOC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000489691	1	42	-2.0	-103.48	378.54	5.04	-98.44
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000489692	0	39	-2.0	-105.95	362.84	4.66	-101.29
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1	REAL300000489693	0	42	-2.0	-116.95	371.54	5.21	-111.74
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000489695	0	39	-2.0	-112.34	366.87	5.06	-107.28
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300000489696	0	44	-2.0	-114.31	391.38	4.95	-109.36
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C	REAL300000489697	0	45	-2.0	-116.75	387.04	5.97	-110.78
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C)=C1	REAL300000489698	0	45	-2.0	-117.86	388.55	5.75	-112.11
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300000489699	0	44	-2.0	-125.95	392.91	5.02	-120.93
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C	REAL300000489700	0	45	-2.0	-116.13	387.04	5.97	-110.16
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300000489701	0	48	-2.0	-115.52	410.38	6.47	-109.05
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000489702	0	36	-2.0	-108.20	359.12	4.16	-104.04
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)C=C1	REAL300000489703	0	48	-2.0	-115.39	414.53	6.76	-108.63
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC	REAL300000489704	0	43	-2.0	-123.01	378.38	4.34	-118.67
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000489705	0	39	-2.0	-117.24	363.28	5.11	-112.13
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000489706	0	41	-2.0	-112.56	378.36	5.21	-107.35
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000489707	0	36	-2.0	-113.98	342.07	3.55	-110.43
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C=C1	REAL300000489708	0	43	-2.0	-113.81	379.63	3.84	-109.97
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000489709	0	41	-2.0	-128.03	371.23	5.96	-122.07
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1	REAL300000489710	0	42	-2.0	-116.36	371.54	5.22	-111.14
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)C=C1	REAL300000489711	0	46	-2.0	-113.45	401.48	4.77	-108.68
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000489712	0	39	-2.0	-111.77	362.04	4.67	-107.10
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000489713	0	39	-2.0	-112.43	356.54	4.61	-107.82
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000489714	0	39	-2.0	-106.33	362.96	4.68	-101.65
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300000489715	1	48	-2.0	-116.32	401.68	6.89	-109.43
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000489716	0	39	-2.0	-109.41	366.87	5.06	-104.35
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000489717	0	41	-2.0	-103.91	378.37	5.21	-98.70
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000489718	0	39	-2.0	-116.21	350.13	4.54	-111.67
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)S1	REAL300000489719	0	39	-2.0	-115.14	363.96	4.34	-110.80
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000489720	0	39	-2.0	-115.09	362.04	4.67	-110.42
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(SC)C=C1	REAL300000489721	0	43	-2.0	-113.62	390.33	5.57	-108.05
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CCC(=O)OC	REAL300000489722	1	41	-2.0	-110.84	368.82	3.10	-107.74
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300000489723	0	45	-2.0	-114.28	386.83	3.57	-110.71
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000489724	0	43	-2.0	-114.67	384.64	1.32	-113.35
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)C=C1	REAL300000489725	0	45	-2.0	-115.72	393.04	5.99	-109.73
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000489726	0	39	-2.0	-108.68	356.54	4.61	-104.07
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000489727	0	39	-2.0	-120.47	355.62	4.61	-115.86
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1Cl	REAL300000489728	0	42	-2.0	-117.01	384.68	5.77	-111.24
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C	REAL300000489729	0	42	-2.0	-108.44	372.03	5.37	-103.07
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000489730	0	42	-3.0	-180.54	385.25	4.46	-176.08
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000489731	0	39	-2.0	-122.13	367.60	4.12	-118.01
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000489732	0	44	-2.0	-113.51	392.09	0.71	-112.80
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300000489733	0	43	-2.0	-112.05	385.85	3.92	-108.13
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300000489734	0	46	-2.0	-114.85	399.70	4.59	-110.26
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000489735	0	39	-2.0	-112.58	354.68	2.26	-110.32
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300000489737	0	42	-2.0	-112.18	382.36	5.83	-106.35
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300000489738	0	42	-2.0	-113.07	385.60	5.65	-107.42
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300000489739	0	42	-2.0	-112.87	376.86	5.25	-107.62
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300000489740	0	42	-2.0	-109.26	382.35	5.81	-103.45
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000489741	0	42	-2.0	-120.69	377.05	5.27	-115.42
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C	REAL300000489742	0	42	-2.0	-112.37	372.03	5.38	-106.99
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300000489743	1	46	-2.0	-113.69	395.10	4.60	-109.09
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1O	REAL300000489744	0	43	-2.0	-118.14	381.33	2.91	-115.23
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000489745	0	36	-2.0	-109.80	331.72	0.94	-108.86
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000489746	0	41	-3.0	-173.68	381.61	4.26	-169.42
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000489747	0	42	-2.0	-136.50	378.33	3.74	-132.76
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000489748	0	38	-2.0	-106.27	351.54	2.83	-103.44
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000489749	0	39	-2.0	-123.43	354.16	3.64	-119.79
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000489750	0	39	-2.0	-104.75	366.10	3.06	-101.69
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000489751	0	39	-2.0	-118.12	361.91	4.67	-113.45
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C)=N1	REAL300000489752	0	42	-2.0	-124.47	373.67	3.45	-121.02
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)C=N1	REAL300000489753	0	42	-2.0	-112.81	376.22	3.11	-109.70
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(COC)=C1	REAL300000489754	0	46	-2.0	-117.92	405.20	4.27	-113.65
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000489755	0	44	-2.0	-114.19	386.11	3.84	-110.35
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1C	REAL300000489756	0	39	-2.0	-110.38	350.53	1.59	-108.79
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC)=C1	REAL300000489757	0	43	-2.0	-117.83	379.64	3.84	-113.99
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C	REAL300000489758	0	42	-2.0	-115.99	365.62	5.31	-110.68
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000489760	0	39	-2.0	-121.48	355.15	2.07	-119.41
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000489761	0	39	-2.0	-106.96	350.38	2.18	-104.78
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CCOC	REAL300000489762	0	39	-2.0	-109.04	347.03	1.33	-107.71
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000489763	0	43	-2.0	-118.50	369.49	2.73	-115.77
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC1CCCCO1	REAL300000489764	0	46	-2.0	-116.81	387.00	3.80	-113.01
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1F	REAL300000489767	0	42	-2.0	-120.14	377.05	5.28	-114.86
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C)=C1	REAL300000489768	0	42	-2.0	-109.27	376.86	5.24	-104.03
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000489769	0	36	-2.0	-121.52	331.44	1.94	-119.58
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1	REAL300000489770	0	42	-2.0	-109.00	389.68	3.33	-105.67
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CS1	REAL300000489772	0	39	-2.0	-115.31	358.36	4.37	-110.94
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)=C1C	REAL300000489773	0	48	-2.0	-114.44	408.65	4.44	-110.00
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300000489776	0	43	-2.0	-112.13	386.39	5.71	-106.42
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1C	REAL300000489777	0	43	-2.0	-108.07	386.41	5.70	-102.37
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000489779	0	40	-2.0	-111.40	376.46	4.99	-106.41
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000489780	0	45	-2.0	-112.86	394.89	3.63	-109.23
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000489782	0	45	-2.0	-121.98	393.94	2.99	-118.99
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CCOC(C)C	REAL300000489785	0	45	-2.0	-109.64	389.16	3.05	-106.59
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300000489786	0	45	-2.0	-110.04	397.17	5.88	-104.16
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000489787	0	48	-2.0	-122.84	414.68	5.52	-117.32
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC(C(=O)OC)=C1	REAL300000489788	0	43	-2.0	-116.03	393.54	2.89	-113.14
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000489789	0	42	-2.0	-111.96	370.93	5.34	-106.62
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)N=C(C)S1	REAL300000489790	0	41	-2.0	-112.29	375.37	3.11	-109.18
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000489791	0	43	-2.0	-121.21	392.38	5.72	-115.49
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)=C1	REAL300000489792	0	45	-2.0	-117.20	393.03	5.98	-111.22
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300000489793	0	42	-2.0	-112.54	377.96	5.28	-107.26
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(OC)C=CS1	REAL300000489796	0	40	-2.0	-123.55	372.31	2.82	-120.73
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000489797	0	42	-2.0	-117.21	379.91	4.94	-112.27
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000489798	0	39	-2.0	-105.06	366.17	3.45	-101.61
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000489799	0	39	-2.0	-117.83	370.32	3.39	-114.44
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000489800	0	40	-2.0	-120.34	365.98	3.29	-117.05
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C)S1	REAL300000489801	0	38	-2.0	-111.32	358.67	2.37	-108.95
COCCOCCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCOC	REAL300000489802	0	46	-2.0	-111.85	402.51	1.56	-110.29
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000489804	0	45	-2.0	-122.65	395.58	4.93	-117.72
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CCOC)N=C1	REAL300000489805	0	46	-2.0	-110.78	409.89	2.16	-108.62
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300000489807	0	43	-2.0	-125.12	387.41	5.34	-119.78
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)=C1	REAL300000489808	0	45	-2.0	-122.61	397.46	5.30	-117.31
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1F	REAL300000489809	0	42	-2.0	-121.54	375.95	5.26	-116.28
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)C=N1	REAL300000489810	0	45	-2.0	-108.72	399.17	2.17	-106.55
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000489811	0	46	-2.0	-125.54	395.92	4.58	-120.96
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(COC)C=C1	REAL300000489812	0	46	-2.0	-115.63	405.20	4.28	-111.35
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(OC)=CC=C1O	REAL300000489813	0	44	-2.0	-118.64	389.41	1.53	-117.11
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300000489814	0	42	-2.0	-118.23	382.00	5.68	-112.55
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C)=C1	REAL300000489816	0	42	-2.0	-113.10	373.09	4.12	-108.98
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1COC	REAL300000489817	0	46	-2.0	-114.71	396.75	4.57	-110.14
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)O1	REAL300000489818	0	39	-2.0	-114.68	354.74	3.36	-111.32
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)S1	REAL300000489819	0	42	-2.0	-116.15	383.79	4.96	-111.19
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000489820	0	42	-2.0	-112.11	376.18	3.20	-108.91
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000489821	0	38	-2.0	-106.58	361.89	3.25	-103.33
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)N=C1C	REAL300000489822	0	45	-2.0	-124.84	395.75	4.34	-120.50
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300000489823	0	42	-2.0	-117.55	384.68	5.77	-111.78
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300000489824	0	42	-2.0	-113.01	390.03	3.28	-109.73
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)S1	REAL300000489825	0	41	-2.0	-111.00	380.15	3.12	-107.88
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000489826	0	42	-2.0	-124.66	378.07	4.86	-119.80
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300000489828	1	47	-2.0	-118.30	402.64	4.97	-113.33
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1SC	REAL300000489830	0	43	-2.0	-122.57	386.23	5.60	-116.97
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300000489831	0	43	-2.0	-108.27	385.86	3.92	-104.35
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000489832	0	36	-2.0	-113.47	332.82	2.54	-110.93
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000489833	0	38	-2.0	-101.92	344.60	0.96	-100.96
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000489834	0	43	-2.0	-117.01	378.12	3.98	-113.03
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCOC	REAL300000489835	0	45	-2.0	-114.26	380.35	6.26	-108.00
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(OC)=C1	REAL300000489838	0	42	-2.0	-112.08	374.71	2.02	-110.06
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000489841	0	43	-2.0	-117.83	383.00	5.80	-112.03
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000489842	0	43	-2.0	-121.30	392.37	5.71	-115.59
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300000489843	1	45	-2.0	-108.56	386.79	6.32	-102.24
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300000489844	0	40	-2.0	-105.33	357.68	1.91	-103.42
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(OC)=CC=C1C	REAL300000489845	0	46	-2.0	-117.73	395.11	4.61	-113.12
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000489847	0	37	-2.0	-106.32	362.64	4.10	-102.22
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1	REAL300000489848	0	41	-2.0	-112.82	366.73	3.36	-109.46
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300000489849	0	43	-2.0	-108.07	390.08	5.44	-102.63
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(C)OC	REAL300000489850	0	42	-2.0	-114.77	365.69	2.50	-112.27
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C=C1F	REAL300000489851	0	43	-2.0	-117.37	385.12	3.90	-113.47
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=NN1C	REAL300000489853	0	42	-2.0	-107.88	367.01	3.01	-104.87
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000489854	0	37	-2.0	-106.87	354.07	3.08	-103.79
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000489855	0	36	-2.0	-112.01	341.24	3.45	-108.56
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000489856	0	36	-2.0	-112.12	332.67	2.43	-109.69
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)N=C1	REAL300000489857	0	42	-2.0	-108.81	377.31	1.24	-107.57
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000489858	0	42	-2.0	-120.22	376.74	3.17	-117.05
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)=C1	REAL300000489859	0	46	-2.0	-117.85	401.49	4.77	-113.08
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCOC	REAL300000489860	0	45	-2.0	-140.10	394.54	2.12	-137.98
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000489861	0	36	-2.0	-114.38	358.12	3.99	-110.39
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CS1	REAL300000489862	0	39	-2.0	-114.13	363.71	4.20	-109.93
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000489863	0	36	-2.0	-110.74	348.42	1.36	-109.38
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000489864	0	38	-2.0	-109.59	357.06	2.66	-106.93
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=NS1	REAL300000489865	0	38	-2.0	-107.77	358.63	2.84	-104.93
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC(=O)S1	REAL300000489866	1	36	-2.0	-107.68	346.97	0.43	-107.25
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300000489867	0	43	-2.0	-141.31	381.29	1.82	-139.49
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000489868	0	46	-2.0	-115.56	399.36	6.65	-108.91
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000489869	0	36	-2.0	-116.71	348.42	3.58	-113.13
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000489870	0	40	-2.0	-105.36	376.86	4.97	-100.39
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1(COC)CC1	REAL300000489871	0	43	-2.0	-118.38	368.89	3.67	-114.71
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)N=S(C)(C)=O	REAL300000489872	0	39	-2.0	-138.79	355.49	0.48	-138.31
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000489873	0	36	-2.0	-115.11	331.76	1.12	-113.99
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000489874	0	44	-2.0	-120.64	387.13	1.47	-119.17
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)S1	REAL300000489875	0	42	-2.0	-116.54	380.25	5.17	-111.37
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000489876	0	40	-2.0	-104.04	373.51	3.41	-100.63
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1	REAL300000489879	0	42	-2.0	-113.15	370.80	2.78	-110.37
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)C=C1	REAL300000489880	0	43	-2.0	-116.16	381.22	5.63	-110.53
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C	REAL300000489881	0	42	-2.0	-113.32	373.52	2.91	-110.41
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000489882	0	39	-2.0	-105.84	365.97	3.15	-102.69
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(C)(C)C(=O)OC	REAL300000489883	0	47	-2.0	-111.28	398.43	4.49	-106.79
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000489885	0	44	-2.0	-118.14	385.94	4.38	-113.76
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000489887	0	42	-2.0	-117.35	377.28	6.04	-111.31
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000489888	0	44	-2.0	-125.94	386.45	4.37	-121.57
CCC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCOC)OC	REAL300000489889	0	45	-2.0	-113.89	385.26	3.06	-110.83
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(CC(C)C)OC	REAL300000489890	0	51	-2.0	-114.68	420.47	4.09	-110.59
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CCOCC1CC1	REAL300000489891	0	46	-2.0	-109.42	400.56	3.88	-105.54
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(OC)C1CC1	REAL300000489892	0	46	-2.0	-114.16	395.05	3.85	-110.31
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300000489893	0	43	-2.0	-119.00	384.80	4.40	-114.60
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CON=C1C	REAL300000489894	0	38	-2.0	-105.26	347.08	2.50	-102.76
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300000489895	0	42	-2.0	-110.25	385.60	5.64	-104.61
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)N=S(C)(=O)N(C)C	REAL300000489896	0	44	-2.0	-131.25	391.04	0.41	-130.84
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000489897	0	38	-2.0	-117.63	350.64	2.73	-114.90
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000489900	0	38	-2.0	-105.36	351.54	2.69	-102.67
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CCOCC1CCC1	REAL300000489901	0	49	-2.0	-109.46	417.13	4.42	-105.04
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000489902	0	37	-2.0	-118.97	360.50	3.95	-115.02
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(OC)C(C)C	REAL300000489904	0	48	-2.0	-114.76	400.02	3.49	-111.27
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(=O)NC1=O	REAL300000489909	0	42	-2.0	-118.78	378.55	1.25	-117.53
CCOC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCOC)C1CC1	REAL300000489910	0	49	-2.0	-115.43	413.56	4.88	-110.55
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C)N1C	REAL300000489911	0	42	-2.0	-112.78	369.51	3.52	-109.26
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000489912	0	42	-2.0	-111.91	389.88	4.05	-107.86
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000489913	0	40	-3.0	-181.46	374.81	3.24	-178.22
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300000489914	0	43	-2.0	-114.46	382.93	4.68	-109.78
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000489915	0	40	-2.0	-106.41	377.39	5.00	-101.41
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000489916	0	41	-2.0	-113.66	373.41	3.59	-110.07
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000489916	1	41	-2.0	-127.10	373.30	3.74	-123.36
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000489917	0	43	-2.0	-123.17	383.88	4.51	-118.66
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000489919	0	40	-2.0	-113.21	366.32	2.30	-110.91
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000489919	1	39	-3.0	-198.28	362.76	3.16	-195.12
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCOC	REAL300000489920	0	45	-2.0	-113.06	392.99	3.69	-109.37
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000489921	0	39	-2.0	-107.65	355.35	1.90	-105.75
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C#N	REAL300000489922	0	43	-2.0	-122.86	389.61	5.49	-117.37
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C#N	REAL300000489923	0	43	-2.0	-123.95	381.91	5.77	-118.18
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(OC)=NS1	REAL300000489924	0	39	-2.0	-104.86	369.38	0.34	-104.52
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000489925	0	35	-2.0	-107.56	336.88	2.25	-105.31
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300000489927	0	43	-2.0	-113.11	389.65	0.16	-112.95
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCOC	REAL300000489928	0	48	-2.0	-114.76	401.86	7.04	-107.72
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000489930	0	40	-2.0	-117.89	375.96	4.96	-112.93
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=N1	REAL300000489931	0	38	-2.0	-116.01	348.93	0.87	-115.14
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000489932	0	46	-2.0	-112.98	400.04	4.23	-108.75
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000489933	0	46	-2.0	-109.54	397.43	4.44	-105.10
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000489934	0	46	-2.0	-114.59	393.05	4.61	-109.98
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)SC=C1C	REAL300000489935	0	42	-2.0	-111.62	373.04	5.25	-106.37
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000489936	0	36	-2.0	-112.93	355.57	3.98	-108.95
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCOC	REAL300000489937	0	41	-2.0	-102.03	365.37	1.88	-100.15
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000489939	0	40	-2.0	-104.10	365.01	3.33	-100.77
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000489940	0	46	-2.0	-108.50	402.08	4.27	-104.23
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000489941	0	42	-2.0	-117.69	379.91	4.83	-112.86
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000489942	0	46	-2.0	-115.88	405.43	4.48	-111.40
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(N)C(C)=C1	REAL300000489943	0	43	-2.0	-114.82	378.14	2.26	-112.56
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSN=C1OC	REAL300000489944	0	39	-2.0	-112.45	367.43	0.41	-112.04
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)NC=N1	REAL300000489945	0	39	-2.0	-122.82	349.24	2.66	-120.16
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000489947	0	36	-2.0	-112.41	355.98	4.08	-108.33
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000489948	0	43	-2.0	-120.05	388.26	5.66	-114.39
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)=C1	REAL300000489949	0	48	-2.0	-117.30	414.53	6.75	-110.55
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300000489950	0	40	-2.0	-118.22	374.66	4.89	-113.33
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000489951	0	46	-2.0	-112.54	395.83	4.08	-108.46
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C	REAL300000489953	0	45	-2.0	-116.02	380.27	6.22	-109.80
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000489954	0	48	-2.0	-106.89	397.17	4.44	-102.45
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000489955	0	48	-2.0	-113.42	414.63	4.26	-109.16
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000489956	0	46	-2.0	-113.48	398.72	3.63	-109.85
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000489957	0	42	-2.0	-115.29	378.12	5.36	-109.93
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=NN1C	REAL300000489958	0	42	-2.0	-107.87	372.32	2.76	-105.11
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C	REAL300000489960	0	45	-2.0	-116.78	382.63	5.84	-110.94
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000489961	0	46	-2.0	-117.23	399.36	6.65	-110.58
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(OC)SC=C1	REAL300000489962	0	40	-2.0	-119.32	372.40	2.99	-116.33
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCCOC	REAL300000489963	0	48	-2.0	-109.42	410.10	4.43	-104.99
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)O1	REAL300000489965	0	42	-2.0	-114.65	376.22	4.14	-110.51
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)S1	REAL300000489966	0	40	-2.0	-112.02	373.92	2.99	-109.03
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000489967	0	42	-2.0	-110.00	382.81	3.25	-106.75
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000489968	0	42	-2.0	-118.04	370.71	5.51	-112.53
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000489969	0	42	-2.0	-117.61	375.63	4.94	-112.67
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCCOC)=N1	REAL300000489970	0	41	-2.0	-112.35	370.85	1.41	-110.94
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000489971	0	36	-2.0	-108.58	349.89	3.16	-105.42
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000489973	0	43	-2.0	-115.57	393.96	5.86	-109.71
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CO1	REAL300000489974	0	39	-2.0	-113.90	354.73	3.21	-110.69
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000489975	0	39	-2.0	-109.90	370.01	2.61	-107.29
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000489976	0	37	-2.0	-114.72	354.27	3.00	-111.72
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)NC(=O)NC1=O	REAL300000489977	0	42	-2.0	-117.56	372.84	0.53	-117.03
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000489978	0	36	-2.0	-111.37	348.91	3.05	-108.32
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000489979	0	36	-2.0	-108.88	358.95	4.06	-104.82
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000489980	0	46	-2.0	-119.63	393.69	6.70	-112.93
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)N=C1C	REAL300000489982	0	45	-2.0	-108.47	392.98	1.97	-106.50
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CN=C1OC	REAL300000489983	0	45	-2.0	-119.54	397.55	2.37	-117.17
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300000489984	0	45	-2.0	-109.62	397.45	1.96	-107.66
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000489985	0	48	-2.0	-112.41	413.08	4.70	-107.71
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300000489986	0	48	-2.0	-113.60	413.74	4.28	-109.32
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000489987	0	37	-2.0	-114.99	353.06	2.96	-112.03
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000489988	0	37	-2.0	-117.11	362.22	3.87	-113.24
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000489989	0	45	-2.0	-108.55	391.84	3.81	-104.74
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000489990	0	46	-2.0	-108.32	402.34	4.67	-103.65
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC1=CC(OC)=NO1	REAL300000489991	0	42	-2.0	-110.47	381.20	0.86	-109.61
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300000489992	0	48	-2.0	-113.81	413.22	4.35	-109.46
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000489994	0	40	-2.0	-115.96	361.16	1.69	-114.27
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000489995	0	35	-2.0	-105.55	335.79	2.14	-103.41
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000489996	0	35	-2.0	-110.06	336.72	1.66	-108.40
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000489997	0	46	-2.0	-115.11	395.86	3.86	-111.25
COCCOC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000489998	0	42	-2.0	-120.69	377.05	5.27	-115.42
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCC(=O)N(C)C	REAL300000489999	0	44	-2.0	-108.59	387.87	4.80	-103.79
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)=C1	REAL300000490000	0	45	-2.0	-119.69	393.97	6.55	-113.14
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000490001	0	39	-2.0	-116.73	364.87	4.89	-111.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)C=C1	REAL300000490002	0	45	-2.0	-119.21	394.36	6.56	-112.65
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000490003	0	42	-2.0	-115.39	379.35	5.95	-109.44
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000490004	0	42	-2.0	-119.22	373.35	5.88	-113.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)S1	REAL300000490005	0	42	-2.0	-118.01	386.77	5.68	-112.33
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000490006	0	42	-2.0	-111.27	378.98	5.95	-105.32
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000490007	0	42	-2.0	-123.29	378.44	5.95	-117.34
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000490008	0	42	-2.0	-115.64	377.90	3.59	-112.05
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000490009	0	39	-2.0	-112.41	354.15	2.29	-110.12
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000490010	0	41	-2.0	-109.48	374.76	4.16	-105.32
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000490011	0	42	-2.0	-125.96	376.55	4.97	-120.99
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)=CN1C	REAL300000490012	0	45	-2.0	-129.07	396.26	4.77	-124.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)C=N1	REAL300000490013	0	45	-2.0	-115.85	399.43	4.44	-111.41
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCC(=O)N(C)C	REAL300000490014	0	42	-2.0	-113.52	375.20	2.87	-110.65
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCC(=O)N(C)C	REAL300000490015	0	45	-2.0	-118.79	388.43	6.65	-112.14
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000490016	0	42	-2.0	-124.76	377.55	3.40	-121.36
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000490017	0	42	-2.0	-110.42	373.83	3.53	-106.89
COCCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCC(=O)N(C)C	REAL300000490018	0	42	-2.0	-111.70	369.84	2.67	-109.03
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000490019	0	46	-2.0	-120.47	392.30	4.07	-116.40
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000490020	0	39	-2.0	-124.15	354.25	3.28	-120.87
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)SC=C1	REAL300000490022	0	42	-2.0	-118.24	381.82	5.72	-112.52
CC(C)OCCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCC(=O)N(C)C	REAL300000490024	0	48	-2.0	-112.39	411.96	4.39	-108.00
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)S1	REAL300000490025	0	41	-2.0	-114.27	381.10	3.71	-110.56
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)=C(C)O1	REAL300000490028	0	45	-2.0	-116.29	396.31	5.45	-110.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)O1	REAL300000490029	0	42	-2.0	-117.71	377.54	4.71	-113.00
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000490030	0	39	-2.0	-116.67	356.27	3.89	-112.78
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000490031	0	41	-2.0	-105.81	367.35	2.30	-103.51
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)C(N)=NO1	REAL300000490033	0	43	-2.0	-108.67	380.89	3.24	-105.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)C=N1	REAL300000490035	0	44	-2.0	-115.51	389.14	4.71	-110.80
COC(C)CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCC(=O)N(C)C	REAL300000490036	0	45	-2.0	-116.92	388.12	3.84	-113.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)N(C)N=C1	REAL300000490038	0	45	-2.0	-111.39	390.23	4.35	-107.04
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000490039	0	40	-2.0	-109.45	376.87	4.43	-105.02
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000490040	0	39	-2.0	-114.43	363.63	4.78	-109.65
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000490041	0	39	-2.0	-114.83	355.07	3.76	-111.07
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)=C1	REAL300000490042	0	42	-2.0	-116.95	386.51	5.54	-111.41
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)=C1	REAL300000490043	0	41	-2.0	-110.73	381.44	4.18	-106.55
COCC1(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)CC1	REAL300000490044	0	46	-2.0	-119.08	390.81	4.81	-114.27
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)N=S(C)(C)=O	REAL300000490045	0	42	-2.0	-142.02	378.30	1.81	-140.21
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000490046	0	39	-2.0	-120.45	354.98	2.46	-117.99
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)C=NN1C	REAL300000490047	0	45	-2.0	-116.04	394.26	4.13	-111.91
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCC(=O)N(C)C	REAL300000490048	0	45	-2.0	-116.21	395.92	4.23	-111.98
CCC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCC(=O)N(C)C)OC	REAL300000490049	0	48	-2.0	-116.62	406.72	4.17	-112.45
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCC(=O)N(C)C	REAL300000490050	0	41	-2.0	-108.05	369.49	3.83	-104.22
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000490051	0	41	-2.0	-120.97	374.10	4.08	-116.89
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000490053	0	41	-2.0	-107.82	373.95	4.02	-103.80
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000490054	0	42	-2.0	-110.90	378.80	3.24	-107.66
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000490055	0	38	-2.0	-110.36	359.69	3.59	-106.77
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)N=CN1	REAL300000490056	0	42	-2.0	-125.68	372.46	3.99	-121.69
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)=C1	REAL300000490057	0	45	-2.0	-111.21	395.14	4.11	-107.10
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)O1	REAL300000490058	0	45	-2.0	-117.54	398.65	5.49	-112.05
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)=N1	REAL300000490059	0	44	-2.0	-115.30	393.28	2.75	-112.55
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)N(C)C)=C1	REAL300000490060	0	42	-2.0	-116.77	377.15	4.56	-112.21
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000490061	0	40	-2.0	-117.05	377.75	4.35	-112.70
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000490062	0	40	-2.0	-117.50	375.49	4.29	-113.21
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000490063	0	43	-2.0	-119.04	383.58	3.03	-116.01
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000490064	0	38	-2.0	-108.28	358.21	3.50	-104.78
CN(C)C(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000490065	0	38	-2.0	-112.82	359.12	2.99	-109.83
O=C([O-])C1=CC=C(N(CCC2CCCO2)S(=O)(=O)C2=NC=C[N-]2)C=C1	REAL300000490132	0	42	-2.0	-101.79	356.64	4.45	-97.34
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000490167	0	35	-2.0	-89.71	328.13	1.30	-88.41
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000490168	0	36	-2.0	-107.10	331.28	3.81	-103.29
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=N1	REAL300000490169	0	28	-2.0	-103.54	288.08	3.43	-100.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000490170	0	32	-2.0	-113.67	299.81	2.53	-111.14
CN1C=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000490171	0	28	-2.0	-103.44	287.91	3.20	-100.24
CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000490172	0	32	-2.0	-95.58	303.12	4.02	-91.56
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000490173	0	28	-2.0	-104.13	284.73	3.30	-100.83
CN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000490174	0	28	-2.0	-103.91	284.17	3.11	-100.80
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=N1	REAL300000490175	0	28	-2.0	-99.78	297.23	3.67	-96.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=C1C	REAL300000490176	0	34	-2.0	-111.27	304.06	4.03	-107.24
CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000490177	0	34	-2.0	-94.89	315.23	4.31	-90.58
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000490178	0	32	-2.0	-94.29	302.73	3.00	-91.29
CN1C=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C=N1	REAL300000490179	0	39	-2.0	-90.92	348.50	3.78	-87.14
CN1C=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=N1	REAL300000490180	0	25	-2.0	-99.64	281.87	2.49	-97.15
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000490181	0	32	-2.0	-110.09	295.45	1.55	-108.54
CN1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)C=N1	REAL300000490182	0	28	-2.0	-103.39	296.56	3.37	-100.02
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C)N=C2)=C1	REAL300000490183	0	28	-2.0	-98.53	280.77	2.40	-96.13
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000490184	0	34	-2.0	-110.56	303.12	4.03	-106.53
COC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000490185	0	36	-2.0	-108.23	329.97	2.54	-105.69
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000490186	0	32	-2.0	-113.74	298.95	2.79	-110.95
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000490187	0	38	-2.0	-113.19	326.90	5.35	-107.84
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000490188	0	37	-2.0	-111.46	325.57	4.72	-106.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000490189	0	34	-2.0	-107.87	301.83	4.44	-103.43
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000490190	0	35	-2.0	-113.62	322.09	3.29	-110.33
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000490191	0	30	-3.0	-181.46	300.08	3.29	-178.17
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000490192	0	35	-2.0	-113.50	315.91	4.62	-108.88
CN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000490193	0	34	-2.0	-112.65	313.84	2.50	-110.15
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C)N=C2)=C1	REAL300000490194	0	32	-2.0	-108.14	300.58	1.82	-106.32
CN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000490195	0	36	-2.0	-95.53	325.30	3.34	-92.19
CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000490196	0	28	-2.0	-97.71	299.34	3.57	-94.14
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000490197	0	28	-2.0	-101.00	289.25	3.32	-97.68
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000490198	0	32	-2.0	-92.82	318.76	3.54	-89.28
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000490199	0	35	-2.0	-94.71	322.82	3.71	-91.00
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=N1	REAL300000490200	0	38	-2.0	-93.78	351.41	3.97	-89.81
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000490201	0	31	-2.0	-99.91	292.37	3.54	-96.37
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000490202	0	41	-2.0	-94.99	365.26	4.64	-90.35
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000490203	0	32	-2.0	-93.80	308.95	3.06	-90.74
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000490204	0	38	-2.0	-93.49	361.22	4.45	-89.04
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000490205	0	35	-2.0	-114.45	320.80	3.70	-110.75
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C(C(=O)[O-])S1	REAL300000490206	0	28	-2.0	-105.77	281.36	2.61	-103.16
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000490207	0	28	-2.0	-97.91	299.88	3.74	-94.17
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000490208	0	28	-2.0	-93.32	284.71	3.29	-90.03
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=N1	REAL300000490209	0	28	-2.0	-92.88	288.06	3.42	-89.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=C1F	REAL300000490210	0	31	-2.0	-106.70	297.42	3.43	-103.27
COC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000490211	0	32	-2.0	-97.88	311.97	3.34	-94.54
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000490212	0	28	-2.0	-93.35	284.16	3.12	-90.23
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000490213	0	31	-2.0	-101.67	301.10	3.93	-97.74
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000490214	0	31	-2.0	-97.56	302.49	4.00	-93.56
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000490215	0	36	-2.0	-92.53	335.41	4.13	-88.40
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000490216	0	28	-2.0	-92.91	287.89	3.21	-89.70
CN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000490217	0	28	-2.0	-97.20	282.48	2.81	-94.39
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000490218	0	30	-2.0	-93.02	299.85	3.38	-89.64
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000490219	0	31	-2.0	-102.87	309.51	3.88	-98.99
CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000490220	0	28	-2.0	-98.72	292.37	3.25	-95.47
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000490221	0	31	-2.0	-102.18	305.13	4.02	-98.16
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000490222	0	31	-2.0	-106.78	296.50	3.37	-103.41
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000490223	0	34	-2.0	-112.15	308.46	3.88	-108.27
CN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000490224	0	30	-2.0	-106.30	298.22	3.81	-102.49
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000490225	0	28	-2.0	-97.12	283.42	2.85	-94.27
CN1C=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=N1	REAL300000490226	0	25	-2.0	-94.82	281.65	2.54	-92.28
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000490227	0	34	-2.0	-108.04	305.05	4.13	-103.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000490228	0	31	-2.0	-107.55	296.97	3.42	-104.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=C1Cl	REAL300000490229	0	31	-2.0	-105.71	303.42	3.86	-101.85
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C)N=C2)=C1	REAL300000490230	0	31	-2.0	-111.93	296.70	3.41	-108.52
COC1=CC(Br)=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000490231	0	32	-2.0	-109.10	315.33	3.50	-105.60
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000490232	0	34	-2.0	-109.72	305.63	3.90	-105.82
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)C=N1	REAL300000490233	0	28	-2.0	-100.53	292.60	3.45	-97.08
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1CC(=O)[O-]	REAL300000490234	0	35	-2.0	-109.99	322.13	2.85	-107.14
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000490235	0	31	-2.0	-97.13	297.92	3.90	-93.23
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000490236	0	31	-2.0	-92.26	301.79	3.52	-88.74
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000490237	0	31	-2.0	-105.53	302.89	3.67	-101.86
CN1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000490238	0	28	-2.0	-100.85	292.95	3.33	-97.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2)=C1Br	REAL300000490239	0	31	-2.0	-105.41	306.24	3.99	-101.42
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000490240	0	40	-2.0	-107.41	336.57	5.57	-101.84
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)C=N1	REAL300000490241	0	28	-2.0	-95.90	293.76	3.47	-92.43
CN1C=C([N-]S(=O)(=O)C2=CC(Br)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000490242	0	28	-2.0	-98.15	303.55	3.67	-94.48
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000490243	0	28	-2.0	-96.01	297.26	3.28	-92.73
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=N1	REAL300000490244	0	32	-2.0	-94.60	316.36	3.02	-91.58
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000490245	0	31	-2.0	-102.31	305.40	3.78	-98.53
CN1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300000490246	0	37	-2.0	-105.51	321.11	4.85	-100.66
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Br)C=N1	REAL300000490247	0	28	-2.0	-99.35	300.58	3.82	-95.53
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000490248	0	32	-2.0	-109.50	311.99	3.35	-106.15
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000490249	0	34	-2.0	-101.38	323.28	4.66	-96.72
CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000490250	0	33	-2.0	-100.08	314.92	4.91	-95.17
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000490251	0	31	-2.0	-107.12	291.20	3.56	-103.56
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000490252	0	30	-2.0	-114.15	295.40	4.58	-109.57
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000490253	0	31	-2.0	-100.52	296.60	3.39	-97.13
CN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000490254	0	34	-2.0	-115.93	312.70	4.85	-111.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1	REAL300000490255	0	32	-2.0	-99.88	299.86	2.52	-97.36
CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000490256	0	25	-2.0	-96.19	271.81	1.70	-94.49
CN1C=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000490257	0	32	-2.0	-103.29	315.45	3.27	-100.02
CN1C=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=N1	REAL300000490258	0	31	-2.0	-98.88	315.01	-0.24	-99.12
CN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000490259	0	35	-2.0	-102.44	317.79	4.60	-97.84
CN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000490260	0	35	-2.0	-104.93	317.10	4.60	-100.33
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC=CC(Br)=C32)=C1	REAL300000490270	0	33	-2.0	-114.11	301.95	5.39	-108.72
CS(=O)(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000490277	1	39	-2.0	-94.70	364.37	1.87	-92.83
CS(=O)(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000490278	1	39	-2.0	-105.73	364.38	1.86	-103.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2CNS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000490279	1	42	-2.0	-106.66	380.41	2.39	-104.27
CS(=O)(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000490280	0	36	-2.0	-100.48	357.57	0.87	-99.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1CNS(C)(=O)=O	REAL300000490281	1	42	-2.0	-107.67	379.82	2.64	-105.03
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2CNS(C)(=O)=O)C=C1C(=O)[O-]	REAL300000490282	0	40	-2.0	-104.09	371.03	1.20	-102.89
CS(=O)(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000490283	0	36	-2.0	-101.82	356.03	0.90	-100.92
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2CNS(C)(=O)=O)C=C(C(=O)[O-])O1	REAL300000490284	0	39	-2.0	-101.05	367.39	1.00	-100.05
CS(=O)(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000490285	0	36	-2.0	-96.63	356.64	1.00	-95.63
CS(=O)(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000490286	1	42	-2.0	-98.76	386.57	2.65	-96.11
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CNS(C)(=O)=O	REAL300000490287	1	42	-2.0	-102.58	374.43	2.49	-100.09
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1CNS(C)(=O)=O	REAL300000490288	1	42	-2.0	-94.79	379.81	2.64	-92.15
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2CNS(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300000490289	1	42	-2.0	-96.00	384.43	2.51	-93.49
CS(=O)(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000490290	0	38	-2.0	-105.25	360.60	-0.02	-105.27
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000490291	0	38	-2.0	-106.04	344.81	2.42	-103.62
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000490292	0	38	-2.0	-99.56	340.79	2.27	-97.29
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000490293	0	38	-2.0	-108.30	340.55	2.34	-105.96
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000490294	0	42	-2.0	-114.37	368.69	2.04	-112.33
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000490295	0	42	-2.0	-99.41	372.26	3.56	-95.85
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000490296	0	41	-2.0	-111.14	360.08	3.01	-108.13
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000490297	0	38	-2.0	-104.96	354.18	2.89	-102.07
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000490298	0	38	-2.0	-104.47	352.78	2.78	-101.69
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000490299	0	44	-2.0	-111.66	372.57	3.63	-108.03
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000490300	0	38	-2.0	-107.03	346.59	2.40	-104.63
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000490301	0	44	-2.0	-98.34	384.38	3.85	-94.49
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000490302	0	35	-2.0	-103.91	334.30	1.36	-102.55
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000490303	0	41	-2.0	-109.67	356.55	3.06	-106.61
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000490304	0	42	-2.0	-97.80	371.88	2.54	-95.26
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000490305	0	39	-2.0	-107.46	347.19	1.71	-105.75
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000490306	0	42	-2.0	-109.74	364.69	1.20	-108.54
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000490307	0	38	-2.0	-101.88	349.48	2.04	-99.84
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000490308	0	44	-2.0	-109.22	371.91	3.62	-105.60
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000490309	0	35	-2.0	-104.69	332.20	1.39	-103.30
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000490310	0	42	-2.0	-114.04	367.84	2.40	-111.64
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000490311	0	47	-2.0	-111.53	394.45	4.31	-107.22
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000490312	0	44	-2.0	-107.58	368.01	4.04	-103.54
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000490313	0	45	-2.0	-115.16	390.98	2.79	-112.37
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000490314	0	40	-3.0	-185.19	368.75	2.90	-182.29
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000490315	0	45	-2.0	-114.07	384.42	4.24	-109.83
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000490316	0	38	-2.0	-102.68	343.35	1.49	-101.19
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000490317	0	42	-2.0	-114.56	369.14	1.33	-113.23
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000490318	0	45	-2.0	-97.88	391.70	3.33	-94.55
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000490319	0	41	-2.0	-100.77	361.26	3.12	-97.65
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2CC)C=C1C(=O)[O-]	REAL300000490320	0	45	-2.0	-121.13	389.41	3.36	-117.77
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000490321	0	38	-2.0	-106.27	350.24	2.20	-104.07
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000490322	0	38	-2.0	-97.09	353.23	2.90	-94.19
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000490323	0	38	-2.0	-99.16	345.09	2.39	-96.77
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000490324	0	35	-2.0	-101.65	333.38	1.47	-100.18
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000490325	0	38	-2.0	-100.12	346.95	2.41	-97.71
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000490326	0	41	-2.0	-108.62	365.94	3.07	-105.55
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000490327	0	38	-2.0	-99.55	345.64	2.43	-97.12
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000490328	0	38	-2.0	-96.98	353.05	2.75	-94.23
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000490329	0	38	-2.0	-102.95	351.00	2.45	-100.50
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000490330	0	40	-2.0	-98.32	368.74	3.02	-95.30
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000490331	0	38	-3.0	-206.63	347.26	0.81	-205.82
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000490331	1	39	-2.0	-108.86	350.26	-0.06	-108.92
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000490332	0	41	-2.0	-103.29	362.98	3.04	-100.25
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000490333	0	41	-2.0	-109.15	350.24	2.94	-106.21
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000490334	0	41	-2.0	-113.18	365.39	2.99	-110.19
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000490335	0	41	-2.0	-99.28	355.59	3.09	-96.19
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000490336	0	44	-2.0	-110.54	373.14	3.53	-107.01
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000490337	0	40	-2.0	-112.77	366.93	3.39	-109.38
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000490338	0	38	-2.0	-99.57	351.93	2.49	-97.08
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000490339	0	44	-2.0	-113.21	373.99	3.74	-109.47
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000490340	0	41	-2.0	-107.62	362.35	3.01	-104.61
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000490341	0	41	-2.0	-118.94	365.19	3.05	-115.89
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000490342	0	44	-2.0	-110.32	374.53	3.54	-106.78
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000490343	0	45	-2.0	-111.62	390.74	2.52	-109.10
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000490344	0	42	-2.0	-113.33	368.51	2.57	-110.76
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000490345	0	41	-2.0	-100.92	359.42	2.98	-97.94
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000490346	0	41	-2.0	-106.91	360.45	3.21	-103.70
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000490347	0	40	-2.0	-120.33	364.27	4.03	-116.30
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000490348	0	38	-2.0	-117.55	344.21	2.37	-115.18
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000490349	0	41	-2.0	-104.35	361.57	3.01	-101.34
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000490350	0	37	-2.0	-110.86	336.39	0.48	-110.38
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000490351	0	42	-2.0	-103.68	368.38	2.03	-101.65
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000490352	0	35	-2.0	-97.43	340.49	1.33	-96.10
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000490353	0	45	-2.0	-104.24	387.10	4.24	-100.00
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000490354	0	45	-2.0	-108.85	384.64	4.21	-104.64
CCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000490355	0	41	-2.0	-102.55	362.50	2.33	-100.22
CC1=CC=C(OC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)C(C)=C1	REAL300000490356	1	45	-2.0	-96.62	397.54	9.31	-87.31
CC1=CC=C(OC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=C1	REAL300000490357	1	45	-2.0	-109.21	397.56	9.30	-99.91
CC1=CC=C(OC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)C(C)=C1	REAL300000490358	0	44	-2.0	-106.48	392.92	7.27	-99.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1F	REAL300000490362	1	32	-2.0	-102.68	314.48	5.16	-97.52
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=C1	REAL300000490365	1	28	-2.0	-93.70	299.41	5.93	-87.77
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=C1	REAL300000490368	1	28	-2.0	-94.73	291.81	5.42	-89.31
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=C1	REAL300000490370	0	25	-2.0	-91.65	279.52	4.39	-87.26
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)C=C1C(=O)[O-]	REAL300000490373	1	29	-2.0	-91.82	297.41	4.61	-87.21
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=C1	REAL300000490375	0	28	-2.0	-84.42	299.90	4.95	-79.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=CS1	REAL300000490377	1	25	-2.0	-93.06	277.99	4.41	-88.65
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1F	REAL300000490381	1	35	-2.0	-102.10	336.77	5.92	-96.18
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=C(F)C(F)=C2F)=C1	REAL300000490382	0	31	-2.0	-103.33	319.27	5.76	-97.57
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)C=C(C(=O)[O-])O1	REAL300000490384	1	28	-2.0	-92.45	289.34	4.51	-87.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=C1	REAL300000490385	1	32	-2.0	-94.45	319.72	4.36	-90.09
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)C=C(C(=O)[O-])S1	REAL300000490390	1	28	-2.0	-95.90	294.96	5.25	-90.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)C(Cl)=C1	REAL300000490391	1	28	-2.0	-80.03	303.81	5.83	-74.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)S1	REAL300000490393	0	25	-2.0	-86.91	278.60	4.49	-82.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=C1F	REAL300000490395	1	31	-2.0	-90.66	316.50	5.96	-84.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)C(F)=C1	REAL300000490396	1	28	-2.0	-81.23	296.22	5.34	-75.89
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=C1	REAL300000490400	1	30	-2.0	-79.30	318.95	5.94	-73.36
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=C(F)C(F)=C2F)=C1	REAL300000490401	0	29	-2.0	-96.72	295.08	3.85	-92.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=CC=C1[N+](=O)[O-]	REAL300000490407	1	30	-2.0	-96.34	312.89	6.44	-89.90
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=C1	REAL300000490408	1	28	-2.0	-82.06	302.49	5.39	-76.67
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)C=C1C(=O)[O-]	REAL300000490410	1	31	-2.0	-95.38	307.81	5.96	-89.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=C1Cl	REAL300000490411	1	31	-2.0	-90.05	322.54	6.41	-83.64
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=C1	REAL300000490412	1	31	-2.0	-97.97	315.77	5.96	-92.01
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)C=C1C(=O)[O-]	REAL300000490417	1	32	-2.0	-96.52	314.36	5.59	-90.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=C1[N+](=O)[O-]	REAL300000490421	0	30	-2.0	-102.96	310.07	7.20	-95.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=C1F	REAL300000490422	1	28	-2.0	-100.01	289.97	5.38	-94.63
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=C1	REAL300000490425	0	27	-2.0	-90.52	286.97	3.38	-87.14
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(F)=C1F	REAL300000490426	1	32	-2.0	-85.62	318.96	5.06	-80.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)=C(Cl)O1	REAL300000490427	0	25	-2.0	-85.98	286.44	4.35	-81.63
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(F)=C2F)C=C(C(=O)[O-])O1	REAL300000490430	1	31	-2.0	-92.57	308.47	5.36	-87.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490433	1	31	-2.0	-100.24	304.88	5.96	-94.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)F)=C1	REAL300000490434	0	35	-2.0	-104.62	330.49	5.70	-98.92
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C=C1	REAL300000490435	1	35	-2.0	-88.41	336.34	7.26	-81.15
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490437	0	31	-2.0	-95.31	315.41	6.48	-88.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=CC=C1Cl	REAL300000490438	1	31	-2.0	-96.33	317.39	6.35	-89.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1C	REAL300000490439	1	37	-2.0	-102.72	337.27	7.27	-95.45
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490440	0	31	-2.0	-96.70	307.82	5.97	-90.73
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C=C1	REAL300000490441	1	37	-2.0	-87.38	348.44	7.55	-79.83
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490442	0	28	-2.0	-95.04	298.06	4.98	-90.06
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)F)=C1	REAL300000490443	1	34	-2.0	-100.44	317.77	6.69	-93.75
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000490445	1	32	-2.0	-98.05	308.98	5.25	-92.80
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490447	0	31	-2.0	-91.08	311.46	5.59	-85.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=CS1	REAL300000490449	0	28	-2.0	-96.45	293.99	4.94	-91.51
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490451	1	41	-2.0	-104.45	360.13	8.58	-95.87
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)F)=C1	REAL300000490452	1	40	-2.0	-102.39	356.24	7.91	-94.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)F)=C1	REAL300000490453	1	37	-2.0	-99.00	332.49	7.62	-91.38
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)F)=C1	REAL300000490454	0	38	-2.0	-104.89	352.77	6.47	-98.42
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490455	0	34	-2.0	-105.20	333.21	6.47	-98.73
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490455	1	33	-3.0	-173.41	330.76	6.47	-166.94
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490456	1	38	-2.0	-104.73	349.13	7.86	-96.87
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000490457	0	31	-2.0	-94.54	307.89	5.10	-89.44
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490458	0	35	-2.0	-101.56	333.87	5.05	-96.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C(Cl)C=C1F	REAL300000490459	0	31	-2.0	-92.42	319.94	6.50	-85.92
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)F)=C1	REAL300000490461	1	34	-2.0	-91.89	325.59	6.78	-85.11
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C=C1F	REAL300000490462	1	35	-2.0	-86.81	342.17	6.31	-80.50
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000490464	1	31	-2.0	-97.58	313.48	5.85	-91.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C(Cl)=C1	REAL300000490465	0	31	-2.0	-86.28	317.93	6.52	-79.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C=C1F	REAL300000490466	1	31	-2.0	-88.24	309.39	6.00	-82.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)S1	REAL300000490467	0	28	-2.0	-90.18	297.15	5.09	-85.09
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490468	1	31	-2.0	-90.68	308.75	5.97	-84.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1F	REAL300000490469	0	34	-2.0	-98.46	330.64	6.67	-91.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C(F)=C1	REAL300000490470	0	31	-2.0	-87.91	310.34	6.03	-81.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C=C1Cl	REAL300000490471	1	31	-2.0	-86.28	317.36	6.36	-79.92
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)F)=C1	REAL300000490472	1	34	-2.0	-93.48	334.32	7.16	-86.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=CC(F)=C1F	REAL300000490473	1	31	-2.0	-89.27	313.18	6.00	-83.27
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490474	1	33	-2.0	-85.88	330.53	6.58	-79.30
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490475	0	32	-2.0	-99.48	312.06	3.62	-95.86
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490475	1	32	-2.0	-99.24	303.60	4.56	-94.68
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C=C1	REAL300000490476	1	34	-2.0	-91.60	327.05	6.75	-84.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=CC(Cl)=C1F	REAL300000490477	1	31	-2.0	-90.50	323.07	6.44	-84.06
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)F)=C1	REAL300000490478	1	34	-2.0	-96.73	312.41	6.54	-90.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=CC=C1[N+](=O)[O-]	REAL300000490482	0	33	-2.0	-99.39	331.44	7.05	-92.34
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490483	0	31	-2.0	-89.21	316.63	6.09	-83.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000490485	0	34	-2.0	-97.64	323.82	6.51	-91.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1Cl	REAL300000490486	0	34	-2.0	-97.39	336.64	7.10	-90.29
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490487	0	34	-2.0	-105.45	329.89	6.65	-98.80
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)F)=C1	REAL300000490490	1	34	-2.0	-91.37	335.42	7.22	-84.15
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000490491	1	34	-2.0	-97.09	333.56	6.86	-90.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000490492	1	35	-2.0	-99.27	330.36	6.12	-93.15
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000490493	1	34	-2.0	-94.04	336.10	6.97	-87.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1[N+](=O)[O-]	REAL300000490496	0	33	-2.0	-107.74	326.06	7.75	-99.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1F	REAL300000490497	0	31	-2.0	-104.42	305.96	5.93	-98.49
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000490498	1	34	-2.0	-92.32	327.30	6.58	-85.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=CC2=CC=CC=C21	REAL300000490499	1	37	-2.0	-108.40	345.92	8.08	-100.32
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000490500	0	30	-2.0	-97.88	301.10	4.09	-93.79
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(F)F)=C1	REAL300000490501	0	35	-2.0	-92.50	333.08	5.76	-86.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)=C(Cl)O1	REAL300000490502	0	28	-2.0	-88.72	305.03	4.96	-83.76
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(F)F)=C3)C=C2)CC1	REAL300000490503	1	38	-2.0	-94.90	348.48	7.79	-87.11
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(C(F)F)=C3)C=C2C1	REAL300000490504	1	38	-2.0	-97.48	347.78	7.79	-89.69
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000490505	0	34	-2.0	-94.35	327.01	5.95	-88.40
COC1=CC=CC(OC(F)(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000490506	0	36	-2.0	-98.40	335.58	5.84	-92.56
COC1=CC=CC(OC(F)(F)F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000490507	0	36	-2.0	-110.61	335.60	5.83	-104.78
COC1=CC=CC(OC(F)(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000490508	0	33	-2.0	-105.27	328.78	4.88	-100.39
COC1=CC=CC(OC(F)(F)F)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000490509	0	37	-2.0	-110.77	342.24	5.21	-105.56
COC1=CC=CC(OC(F)(F)F)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000490510	0	33	-2.0	-108.03	327.26	4.87	-103.16
COC1=CC=CC(OC(F)(F)F)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000490511	0	36	-2.0	-104.48	338.60	4.98	-99.50
COC1=CC=CC(OC(F)(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000490512	0	33	-2.0	-100.27	327.85	4.99	-95.28
COC1=CC=CC(OC(F)(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000490513	0	35	-2.0	-107.09	332.59	3.92	-103.17
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)C3=CC=CC=C3)=C2)=C1	REAL300000490515	1	40	-2.0	-106.37	374.66	8.49	-97.88
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1	REAL300000490516	0	38	-2.0	-95.18	357.17	3.33	-91.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC=C1F	REAL300000490517	0	31	-2.0	-111.71	305.25	4.77	-106.94
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCF)C=C1	REAL300000490518	0	39	-2.0	-113.25	360.34	5.84	-107.41
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490519	0	31	-2.0	-109.43	317.14	5.45	-103.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1	REAL300000490520	0	31	-2.0	-101.54	300.71	4.75	-96.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490521	0	31	-2.0	-114.37	300.72	4.74	-109.63
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCF)C=C1	REAL300000490522	0	35	-2.0	-120.38	328.86	4.55	-115.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC=C1Br	REAL300000490523	0	31	-2.0	-109.73	316.96	5.23	-104.50
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1	REAL300000490524	0	35	-2.0	-101.25	332.17	6.04	-95.21
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1C(=O)[O-]	REAL300000490525	0	34	-2.0	-116.86	320.79	5.39	-111.47
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490526	0	31	-2.0	-110.15	313.79	5.30	-104.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC=C1Cl	REAL300000490527	0	31	-2.0	-110.15	313.22	5.13	-105.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C(Cl)C=C1Cl	REAL300000490528	0	31	-2.0	-105.66	326.28	5.68	-99.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1C	REAL300000490529	0	37	-2.0	-117.88	333.39	6.08	-111.80
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490530	0	31	-2.0	-111.90	306.19	4.80	-107.10
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1	REAL300000490531	0	37	-2.0	-100.64	344.30	6.33	-94.31
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490532	0	28	-2.0	-108.61	293.91	3.77	-104.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCF)C=C1	REAL300000490533	0	34	-2.0	-115.68	316.15	5.51	-110.17
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1	REAL300000490534	0	35	-2.0	-100.00	331.78	5.03	-94.97
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=NN(CCF)C=C3)C=C2)C1	REAL300000490535	0	42	-2.0	-96.61	377.55	5.81	-90.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C(Br)S1	REAL300000490536	0	28	-2.0	-105.62	310.93	4.52	-101.10
CN1C=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1C(=O)[O-]	REAL300000490537	0	32	-2.0	-112.74	307.37	4.09	-108.65
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCF)C=C1	REAL300000490538	0	35	-2.0	-116.30	324.51	3.58	-112.72
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490539	0	31	-2.0	-104.44	309.83	4.43	-100.01
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1C(=O)[O-]	REAL300000490540	0	37	-2.0	-117.04	332.17	6.05	-110.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CS1	REAL300000490541	0	28	-2.0	-110.06	292.37	3.77	-106.29
COC1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000490542	0	39	-2.0	-114.60	359.05	4.55	-110.05
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1C(=O)[O-]	REAL300000490543	0	35	-2.0	-120.09	328.02	4.81	-115.28
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490544	0	41	-2.0	-119.68	355.95	7.37	-112.31
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCF)C=C1	REAL300000490545	0	40	-2.0	-117.94	354.61	6.74	-111.20
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCF)C=C1	REAL300000490546	0	37	-2.0	-113.94	330.85	6.45	-107.49
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCF)C=C1	REAL300000490547	0	38	-2.0	-120.23	351.15	5.31	-114.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC(C(=O)[O-])=C1	REAL300000490548	0	33	-3.0	-189.17	329.12	5.31	-183.86
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490549	0	38	-2.0	-120.03	344.97	6.63	-113.40
CC1=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C(C(=O)[O-])O1	REAL300000490550	0	31	-2.0	-108.30	303.72	3.89	-104.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC2=C1OCCO2	REAL300000490551	0	37	-2.0	-119.03	342.89	4.51	-114.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490552	0	35	-2.0	-114.79	329.64	3.84	-110.95
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NN(CCF)C=C3)C=C2C1	REAL300000490553	0	39	-2.0	-101.34	354.36	5.36	-95.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC(Cl)=C1Cl	REAL300000490554	0	31	-2.0	-103.77	328.39	5.59	-98.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C(Cl)C=C1F	REAL300000490555	0	31	-2.0	-106.70	318.31	5.32	-101.38
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1Cl	REAL300000490556	0	35	-2.0	-98.36	347.81	5.57	-92.79
CC1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC=C1OCC(=O)[O-]	REAL300000490557	0	38	-2.0	-100.50	351.88	5.73	-94.77
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1F	REAL300000490558	0	41	-2.0	-99.04	380.46	5.99	-93.05
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCF)C=C1	REAL300000490559	0	34	-2.0	-106.02	321.42	5.56	-100.46
CC1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC=C1OCCCC(=O)[O-]	REAL300000490560	0	44	-2.0	-100.55	394.31	6.66	-93.89
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1F	REAL300000490561	0	35	-2.0	-99.28	338.01	5.09	-94.19
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1C(=O)[O-]	REAL300000490562	0	38	-2.0	-120.75	349.85	5.72	-115.03
CC1=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C(C(=O)[O-])S1	REAL300000490563	0	31	-2.0	-111.74	310.41	4.62	-107.12
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490564	0	31	-2.0	-103.72	328.95	5.75	-97.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C(Cl)=C1	REAL300000490565	0	31	-2.0	-98.88	313.77	5.29	-93.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C(Br)=C1	REAL300000490566	0	31	-2.0	-98.36	317.12	5.45	-92.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1F	REAL300000490567	0	31	-2.0	-100.86	305.23	4.78	-96.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)S1	REAL300000490568	0	28	-2.0	-103.30	292.97	3.87	-99.43
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490569	0	31	-2.0	-104.89	307.12	4.81	-100.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1F	REAL300000490570	0	34	-2.0	-113.40	326.48	5.45	-107.95
COC1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000490571	0	35	-2.0	-103.49	341.02	5.35	-98.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C(F)=C1	REAL300000490572	0	31	-2.0	-100.84	306.18	4.81	-96.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1Cl	REAL300000490573	0	31	-2.0	-99.02	313.20	5.14	-93.88
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCF)C=C1	REAL300000490574	0	34	-2.0	-107.78	330.16	5.94	-101.84
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1	REAL300000490575	0	39	-2.0	-97.95	364.45	6.15	-91.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1Br	REAL300000490576	0	31	-2.0	-98.66	316.94	5.24	-93.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC(F)=C1F	REAL300000490577	0	31	-2.0	-103.08	311.54	4.83	-98.25
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490578	0	33	-2.0	-99.02	328.91	5.41	-93.61
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490579	0	32	-2.0	-114.52	310.43	2.47	-112.05
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1	REAL300000490580	0	34	-2.0	-105.57	322.90	5.53	-100.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC(Cl)=C1F	REAL300000490581	0	31	-2.0	-104.56	321.42	5.27	-99.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CCF)C=C1	REAL300000490582	0	34	-2.0	-109.91	310.79	5.37	-104.54
CC1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC(C(=O)[O-])=C1F	REAL300000490583	0	34	-2.0	-113.05	325.55	5.39	-107.66
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCF)C=C1	REAL300000490584	0	34	-2.0	-101.74	316.13	5.51	-96.23
CC1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC(C(=O)[O-])=C1C	REAL300000490585	0	37	-2.0	-118.76	337.52	5.91	-112.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC=C1[N+](=O)[O-]	REAL300000490586	0	33	-2.0	-112.34	327.27	5.84	-106.50
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490587	0	31	-2.0	-103.28	312.45	4.87	-98.41
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)S1	REAL300000490588	0	28	-2.0	-101.08	313.30	4.42	-96.66
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C(C)=C1C(=O)[O-]	REAL300000490589	0	37	-2.0	-114.47	334.10	6.15	-108.32
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1C(=O)[O-]	REAL300000490590	0	34	-2.0	-113.11	322.19	5.34	-107.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1Cl	REAL300000490591	0	34	-2.0	-111.94	332.48	5.87	-106.07
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490592	0	34	-2.0	-118.68	325.75	5.43	-113.25
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1C(=O)[O-]	REAL300000490593	0	37	-2.0	-116.44	334.65	5.93	-110.51
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1CC(=O)[O-]	REAL300000490594	0	38	-2.0	-116.17	351.19	4.87	-111.30
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(CCF)C=C1	REAL300000490595	0	34	-2.0	-103.27	326.98	5.92	-97.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1C(F)(F)F	REAL300000490596	0	34	-2.0	-97.99	330.83	5.55	-92.44
CC1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000490597	0	34	-2.0	-111.98	331.94	5.70	-106.28
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490598	0	31	-2.0	-106.87	322.01	5.35	-101.52
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1C(=O)[O-]	REAL300000490599	0	35	-2.0	-114.06	328.74	4.96	-109.10
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C(C)=C1CC(=O)[O-]	REAL300000490600	0	43	-2.0	-114.28	365.87	7.62	-106.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C(F)C(Cl)=C1F	REAL300000490601	0	31	-2.0	-101.90	326.32	5.30	-96.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C(OC(F)(F)F)=C1	REAL300000490602	0	35	-2.0	-100.50	345.42	5.04	-95.46
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1C(=O)[O-]	REAL300000490603	0	34	-2.0	-107.68	330.58	5.71	-101.97
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C(C(=O)[O-])S1	REAL300000490604	0	40	-2.0	-111.46	350.15	6.83	-104.63
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1C(=O)[O-]	REAL300000490605	0	35	-2.0	-115.72	341.04	5.36	-110.36
CC1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC=C1C(=O)[O-]	REAL300000490606	0	34	-2.0	-101.67	316.72	5.29	-96.38
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C([N+](=O)[O-])=C1	REAL300000490607	0	36	-2.0	-106.49	343.98	6.93	-99.56
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCF)C=C1	REAL300000490608	0	34	-2.0	-113.15	320.26	5.58	-107.57
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1[N+](=O)[O-]	REAL300000490609	0	33	-2.0	-120.69	324.44	6.60	-114.09
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1F	REAL300000490610	0	31	-2.0	-117.80	304.38	4.78	-113.02
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C1C(=O)[O-]	REAL300000490611	0	34	-2.0	-105.94	321.88	5.31	-100.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC2=CC=CC=C21	REAL300000490612	0	37	-2.0	-122.52	341.76	6.87	-115.65
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490613	0	30	-2.0	-111.89	297.70	2.79	-109.10
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCF)C=C1	REAL300000490614	0	35	-2.0	-105.99	328.92	4.55	-101.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C(Cl)O1	REAL300000490615	0	28	-2.0	-101.98	300.86	3.72	-98.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=CC=C1OC(F)(F)F	REAL300000490616	0	35	-2.0	-109.29	344.51	5.29	-104.00
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CCF)C=C2)=C1	REAL300000490617	0	34	-2.0	-105.06	344.05	1.78	-103.28
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN(CCF)C=C3)C=C2)CC1	REAL300000490618	0	38	-2.0	-108.57	346.84	6.63	-101.94
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN(CCF)C=C3)C=C2C1	REAL300000490619	0	38	-2.0	-111.72	346.15	6.63	-105.09
CCC1=C(S(=O)(=O)[N-]C2=NN(CCF)C=C2)C=C(C(=O)[O-])O1	REAL300000490620	0	34	-2.0	-108.19	322.85	4.73	-103.46
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CS1	REAL300000490621	0	30	-2.0	-103.49	317.83	-1.05	-104.54
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300000490622	0	30	-2.0	-94.96	313.34	-1.08	-96.04
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300000490623	0	30	-2.0	-107.53	313.30	-1.08	-108.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(S(N)(=O)=O)=C1	REAL300000490624	0	34	-2.0	-112.94	341.44	-1.26	-114.20
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CS1	REAL300000490625	0	34	-2.0	-94.66	344.76	0.22	-94.44
CC1=CC=C(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000490626	0	33	-2.0	-106.98	329.38	-0.55	-107.53
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CS1	REAL300000490627	0	30	-2.0	-103.48	326.42	-0.52	-104.00
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CS1	REAL300000490628	0	30	-2.0	-101.95	325.86	-0.70	-102.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)=C1C	REAL300000490629	0	36	-2.0	-111.14	346.03	0.27	-110.87
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CS1	REAL300000490630	0	30	-2.0	-104.67	318.83	-1.03	-105.70
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CS1	REAL300000490631	0	36	-2.0	-93.78	356.87	0.51	-93.27
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CS1	REAL300000490632	0	27	-2.0	-101.78	306.53	-2.07	-103.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(S(N)(=O)=O)=C1	REAL300000490633	0	33	-2.0	-108.76	328.73	-0.30	-109.06
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CS1	REAL300000490634	0	34	-2.0	-93.24	344.38	-0.80	-94.04
CN1C=C(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000490635	0	31	-2.0	-106.13	320.01	-1.73	-107.86
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(S(N)(=O)=O)=C1	REAL300000490636	1	34	-2.0	-109.30	337.50	-2.27	-111.57
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)=C1	REAL300000490637	0	30	-2.0	-97.21	322.46	-1.40	-98.61
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000490638	0	36	-2.0	-110.49	344.42	0.27	-110.22
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CS1	REAL300000490639	0	27	-2.0	-101.69	304.95	-2.03	-103.72
COC1=CC=C(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000490640	0	34	-2.0	-111.73	340.64	-1.02	-112.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(S(N)(=O)=O)=C1	REAL300000490641	0	36	-2.0	-107.36	343.47	0.65	-106.71
CC1=C(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000490642	0	30	-2.0	-102.80	316.36	-1.93	-104.73
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)=C1	REAL300000490643	0	34	-2.0	-106.86	342.27	-1.99	-108.85
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(S(N)(=O)=O)=C1	REAL300000490644	0	33	-2.0	-99.30	334.00	-0.26	-99.56
CC1=C(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300000490645	0	30	-2.0	-105.08	322.99	-1.19	-106.27
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CS1	REAL300000490646	0	30	-2.0	-93.30	326.41	-0.53	-93.83
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CS1	REAL300000490647	0	30	-2.0	-94.72	317.87	-1.05	-95.77
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CS1	REAL300000490648	0	27	-2.0	-95.78	305.57	-1.95	-97.73
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CS1	REAL300000490649	0	30	-2.0	-98.34	319.71	-1.00	-99.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)=C1F	REAL300000490650	0	33	-2.0	-105.97	339.12	-0.39	-106.36
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CS1	REAL300000490651	0	30	-2.0	-94.79	318.82	-1.02	-95.81
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CS1	REAL300000490652	0	30	-2.0	-92.48	325.79	-0.68	-93.16
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CS1	REAL300000490653	0	30	-2.0	-95.60	324.19	-1.00	-96.60
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CS1	REAL300000490654	0	31	-2.0	-107.57	323.02	-3.36	-110.93
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CS1	REAL300000490655	0	33	-2.0	-98.69	335.48	-0.30	-98.99
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CSC(S(N)(=O)=O)=C1	REAL300000490656	0	33	-2.0	-102.35	322.90	-0.41	-102.76
CC1=CC(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000490657	0	33	-2.0	-106.53	338.16	-0.43	-106.96
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CSC(S(N)(=O)=O)=C1	REAL300000490658	0	33	-2.0	-95.51	328.77	-0.32	-95.83
CC1=CC(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000490659	0	36	-2.0	-109.91	350.11	0.10	-109.81
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CS1	REAL300000490660	0	30	-2.0	-97.10	325.11	-0.96	-98.06
CC1=CC=C(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)C(C)=C1C(=O)[O-]	REAL300000490661	0	36	-2.0	-106.74	346.74	0.33	-106.41
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000490662	0	33	-2.0	-106.88	338.67	-0.39	-107.27
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)=C1	REAL300000490663	0	33	-2.0	-110.18	338.39	-0.40	-110.58
CCC1=CC=C(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000490664	0	36	-2.0	-107.34	347.53	0.11	-107.23
CCN1C=C(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000490665	0	34	-2.0	-107.42	341.38	-0.87	-108.29
CC1=CC(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000490666	0	33	-2.0	-94.71	329.31	-0.54	-95.25
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSC(S(N)(=O)=O)=C1	REAL300000490667	0	33	-2.0	-106.93	332.89	-0.24	-107.17
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CS1	REAL300000490668	0	30	-2.0	-109.34	316.96	-1.04	-110.38
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000490669	0	33	-2.0	-98.89	338.30	-0.40	-99.29
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CS1	REAL300000490670	0	29	-2.0	-103.86	310.29	-3.02	-106.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CSC(S(N)(=O)=O)=C1	REAL300000490671	0	34	-2.0	-98.97	341.50	-1.26	-100.23
NS(=O)(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CS1	REAL300000490672	0	27	-2.0	-95.39	313.50	-2.10	-97.49
CCC1=C(S(=O)(=O)[N-]C2=CSC(S(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000490673	0	33	-2.0	-102.87	335.49	-1.08	-103.95
CC1CC2=CC=CC(F)=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C1	REAL300000490697	0	41	-2.0	-119.32	353.36	8.58	-110.74
CC1CC2=CC=CC(F)=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1	REAL300000490716	0	39	-2.0	-120.16	330.52	6.31	-113.85
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C#N	REAL300000490746	1	40	-2.0	-82.77	371.83	3.31	-79.46
COC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1C#N	REAL300000490748	0	41	-2.0	-98.68	374.99	5.81	-92.87
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C#N	REAL300000490750	1	33	-2.0	-100.17	315.37	4.72	-95.45
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1C#N	REAL300000490751	0	37	-2.0	-104.88	343.52	4.52	-100.36
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C#N	REAL300000490752	1	37	-2.0	-88.53	346.82	6.01	-82.52
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C#N	REAL300000490754	0	33	-2.0	-95.74	328.45	5.29	-90.45
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C#N	REAL300000490755	1	33	-2.0	-96.32	327.88	5.11	-91.21
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C#N	REAL300000490757	0	33	-2.0	-96.97	320.85	4.78	-92.19
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C#N	REAL300000490758	1	39	-2.0	-87.37	358.94	6.31	-81.06
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C#N	REAL300000490759	0	30	-2.0	-94.96	308.56	3.73	-91.23
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C#N	REAL300000490762	1	34	-2.0	-98.83	322.02	4.06	-94.77
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C#N	REAL300000490764	0	33	-2.0	-91.45	324.49	4.40	-87.05
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C#N	REAL300000490766	1	30	-2.0	-96.25	307.02	3.75	-92.50
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1C#N	REAL300000490769	1	43	-2.0	-104.28	370.63	7.33	-96.95
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1C#N	REAL300000490770	1	42	-2.0	-102.64	369.28	6.73	-95.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC)C(C#N)=C1	REAL300000490771	1	39	-2.0	-99.35	345.49	6.45	-92.90
COC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1C#N	REAL300000490772	0	40	-2.0	-105.40	365.80	5.28	-100.12
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C#N	REAL300000490773	0	36	-2.0	-109.86	346.25	5.29	-104.57
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C#N	REAL300000490773	1	35	-3.0	-174.28	343.78	5.28	-169.00
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C#N	REAL300000490774	1	40	-2.0	-104.63	359.64	6.62	-98.01
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C#N	REAL300000490775	0	33	-2.0	-94.88	318.38	3.85	-91.03
COC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C#N	REAL300000490776	1	39	-2.0	-104.97	357.54	4.49	-100.48
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C#N	REAL300000490777	0	37	-2.0	-101.53	344.36	3.81	-97.72
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C#N	REAL300000490779	0	33	-2.0	-93.01	332.97	5.30	-87.71
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C#N	REAL300000490782	1	36	-2.0	-92.09	336.08	5.54	-86.55
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C#N	REAL300000490783	1	37	-2.0	-87.07	352.67	5.07	-82.00
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C#N	REAL300000490785	1	33	-2.0	-97.76	323.97	4.61	-93.15
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C#N	REAL300000490786	0	33	-2.0	-86.70	328.42	5.28	-81.42
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C#N	REAL300000490787	1	33	-2.0	-88.75	319.90	4.76	-83.99
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C#N	REAL300000490788	0	30	-2.0	-90.35	307.64	3.85	-86.50
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C#N	REAL300000490789	1	33	-2.0	-91.52	321.78	4.79	-86.73
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C#N	REAL300000490790	0	36	-2.0	-98.25	341.14	5.42	-92.83
COC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1C#N	REAL300000490791	0	37	-2.0	-91.44	355.69	5.34	-86.10
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C#N	REAL300000490792	0	33	-2.0	-88.11	320.84	4.79	-83.32
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C#N	REAL300000490793	1	33	-2.0	-86.64	327.87	5.12	-81.52
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C#N	REAL300000490794	1	36	-2.0	-93.63	344.82	5.92	-87.71
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C#N	REAL300000490795	1	41	-2.0	-85.45	379.11	6.13	-79.32
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C#N	REAL300000490796	1	33	-2.0	-90.26	326.19	4.81	-85.45
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C#N	REAL300000490797	1	35	-2.0	-86.10	343.56	5.39	-80.71
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C#N	REAL300000490798	0	34	-2.0	-102.32	324.28	3.24	-99.08
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C#N	REAL300000490798	1	34	-2.0	-99.74	325.09	2.43	-97.31
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C#N	REAL300000490799	1	36	-2.0	-91.52	337.54	5.50	-86.02
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1C#N	REAL300000490800	1	33	-2.0	-91.55	336.08	5.25	-86.30
COC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C#N	REAL300000490805	0	35	-2.0	-99.68	341.93	5.81	-93.87
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C#N	REAL300000490806	0	33	-2.0	-89.15	327.13	4.85	-84.30
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C#N	REAL300000490808	0	36	-2.0	-97.87	336.85	5.32	-92.55
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C#N	REAL300000490809	0	36	-2.0	-97.42	347.12	5.86	-91.56
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C#N	REAL300000490810	0	36	-2.0	-105.10	340.41	5.41	-99.69
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C#N	REAL300000490813	1	36	-2.0	-90.47	341.64	5.89	-84.58
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1C#N	REAL300000490814	1	36	-2.0	-97.98	346.61	5.68	-92.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000490815	1	37	-2.0	-100.10	343.38	4.93	-95.17
COC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1C#N	REAL300000490817	1	36	-2.0	-94.89	349.11	5.79	-89.10
COC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C#N	REAL300000490818	1	42	-2.0	-97.67	364.84	6.85	-90.82
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1C#N	REAL300000490819	1	37	-2.0	-101.33	355.70	5.35	-95.98
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C#N	REAL300000490821	0	38	-2.0	-93.38	358.64	6.91	-86.47
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C#N	REAL300000490823	0	35	-2.0	-107.58	339.10	6.57	-101.01
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C#N	REAL300000490824	0	33	-2.0	-104.38	318.99	4.74	-99.64
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C#N	REAL300000490825	1	36	-2.0	-93.18	340.31	5.40	-87.78
COC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C#N	REAL300000490826	1	39	-2.0	-108.05	356.41	6.84	-101.21
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C#N	REAL300000490827	0	32	-2.0	-96.88	312.36	2.77	-94.11
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1C#N	REAL300000490828	0	37	-2.0	-92.65	343.58	4.52	-88.13
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C#N	REAL300000490829	0	30	-2.0	-88.98	315.52	3.69	-85.29
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C#N	REAL300000490830	1	40	-2.0	-94.77	361.50	6.61	-88.16
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C#N	REAL300000490831	1	40	-2.0	-98.36	360.81	6.61	-91.75
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000490832	0	36	-2.0	-94.69	337.50	4.70	-89.99
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000490833	1	37	-2.0	-112.75	339.28	7.29	-105.46
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000490834	1	37	-2.0	-102.51	334.72	7.28	-95.23
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000490835	1	37	-2.0	-115.68	334.75	7.27	-108.41
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000490836	0	41	-2.0	-120.32	362.89	7.07	-113.25
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000490837	1	41	-2.0	-101.18	366.19	8.56	-92.62
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000490838	1	40	-2.0	-117.14	350.77	7.80	-109.34
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000490839	0	37	-2.0	-110.09	347.82	7.84	-102.25
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000490840	1	37	-2.0	-111.31	347.25	7.65	-103.66
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000490841	1	43	-2.0	-117.20	367.85	8.60	-108.60
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000490842	0	37	-2.0	-112.53	340.22	7.33	-105.20
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000490843	1	43	-2.0	-100.48	378.32	8.85	-91.63
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000490844	0	34	-2.0	-109.78	327.93	6.28	-103.50
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000490845	1	40	-2.0	-115.24	350.18	8.05	-107.19
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000490846	1	41	-2.0	-99.91	365.81	7.55	-92.36
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000490847	0	38	-2.0	-113.90	341.39	6.60	-107.30
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000490848	1	41	-2.0	-115.68	358.53	6.09	-109.59
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000490849	0	37	-2.0	-105.85	343.85	6.94	-98.91
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000490850	1	43	-2.0	-116.64	366.19	8.58	-108.06
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000490851	0	34	-2.0	-111.19	326.40	6.29	-104.90
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000490852	1	41	-2.0	-121.45	362.02	7.33	-114.12
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000490853	1	46	-2.0	-117.27	387.62	9.24	-108.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C(F)(F)CC	REAL300000490854	1	43	-2.0	-112.58	357.77	8.75	-103.83
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000490855	0	44	-2.0	-121.58	385.18	7.84	-113.74
CCC(F)(F)C1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000490856	0	40	-2.0	-110.86	361.15	7.79	-103.07
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000490856	1	39	-3.0	-194.27	363.15	7.83	-186.44
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000490857	1	44	-2.0	-120.00	378.99	9.15	-110.85
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000490858	0	37	-2.0	-108.45	337.75	6.40	-102.05
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000490859	0	41	-2.0	-116.54	363.73	6.35	-110.19
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000490860	1	44	-2.0	-100.48	385.90	8.25	-92.23
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000490861	0	40	-2.0	-105.87	355.46	8.08	-97.79
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)(F)CC)C=C1C(=O)[O-]	REAL300000490862	1	44	-2.0	-122.23	383.88	8.23	-114.00
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000490863	0	37	-2.0	-111.63	343.37	7.15	-104.48
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000490864	0	37	-2.0	-99.61	347.80	7.83	-91.78
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000490865	0	37	-2.0	-101.82	339.26	7.30	-94.52
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000490866	0	34	-2.0	-104.55	327.00	6.39	-98.16
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000490867	0	37	-2.0	-106.37	341.15	7.34	-99.03
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000490868	0	40	-2.0	-114.24	360.49	7.96	-106.28
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000490869	0	37	-2.0	-102.27	340.21	7.34	-94.93
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000490870	1	37	-2.0	-99.94	347.23	7.66	-92.28
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000490871	0	37	-2.0	-104.12	345.56	7.36	-96.76
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000490872	0	38	-2.0	-113.60	344.46	4.96	-108.64
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000490873	1	40	-2.0	-105.69	356.92	8.04	-97.65
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000490874	1	40	-2.0	-112.23	344.78	7.91	-104.32
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000490875	1	40	-2.0	-114.35	359.58	7.92	-106.43
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000490876	1	40	-2.0	-102.12	350.16	8.03	-94.09
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000490877	1	43	-2.0	-119.18	367.62	8.34	-110.84
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000490878	0	37	-2.0	-104.32	346.48	7.40	-96.92
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000490879	1	43	-2.0	-116.81	368.28	8.67	-108.14
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000490880	0	40	-2.0	-113.87	356.22	7.86	-106.01
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000490881	0	40	-2.0	-121.71	359.78	7.95	-113.76
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)(F)CC)C=C1C(=O)[O-]	REAL300000490882	1	43	-2.0	-117.73	369.03	8.45	-109.28
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000490883	1	44	-2.0	-118.87	385.21	7.39	-111.48
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)(F)CC)C=C1C(=O)[O-]	REAL300000490884	0	41	-2.0	-115.25	362.77	7.47	-107.78
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000490885	1	40	-2.0	-102.73	350.76	7.81	-94.92
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000490886	1	40	-2.0	-112.22	354.69	8.07	-104.15
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000490887	0	37	-2.0	-120.75	338.38	7.28	-113.47
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000490888	0	40	-2.0	-107.42	355.91	7.84	-99.58
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000490889	0	36	-2.0	-113.81	330.95	5.37	-108.44
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000490890	0	41	-2.0	-106.62	362.95	7.07	-99.55
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000490891	0	34	-2.0	-102.67	334.85	6.23	-96.44
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000490892	1	44	-2.0	-108.60	380.87	9.15	-99.45
CCC(F)(F)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000490893	0	44	-2.0	-113.13	378.83	9.14	-103.99
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C(F)(F)CC)C=C(C(=O)[O-])O1	REAL300000490894	0	40	-2.0	-107.60	352.93	7.14	-100.46
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1	REAL300000490895	0	39	-2.0	-92.39	357.97	2.13	-90.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC=C1F	REAL300000490896	0	32	-2.0	-109.11	306.03	3.57	-105.54
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NC=CN=C12	REAL300000490897	0	40	-2.0	-109.55	361.11	4.63	-104.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1	REAL300000490898	0	32	-2.0	-99.06	301.49	3.55	-95.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490899	0	32	-2.0	-111.69	301.49	3.54	-108.15
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NC=CN=C12	REAL300000490900	0	36	-2.0	-116.61	329.63	3.34	-113.27
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1	REAL300000490901	0	36	-2.0	-98.45	332.95	4.84	-93.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1C(=O)[O-]	REAL300000490902	0	35	-2.0	-113.00	317.51	4.08	-108.92
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490903	0	32	-2.0	-106.61	314.56	4.11	-102.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC=C1Cl	REAL300000490904	0	32	-2.0	-107.46	314.00	3.93	-103.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C(Cl)C=C1Cl	REAL300000490905	0	32	-2.0	-102.17	327.06	4.49	-97.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1C	REAL300000490906	0	38	-2.0	-113.69	334.60	4.88	-108.81
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490907	0	32	-2.0	-108.79	306.97	3.60	-105.19
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1	REAL300000490908	0	38	-2.0	-97.74	345.07	5.13	-92.61
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490909	0	29	-2.0	-106.09	294.68	2.56	-103.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NC=CN=C12	REAL300000490910	0	35	-2.0	-111.77	316.93	4.33	-107.44
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1	REAL300000490911	0	36	-2.0	-97.10	332.57	3.83	-93.27
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1C(=O)[O-]	REAL300000490912	0	33	-2.0	-109.91	308.14	2.89	-107.02
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NC=CN=C12	REAL300000490913	0	36	-2.0	-112.44	325.28	2.37	-110.07
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490914	0	32	-2.0	-102.10	310.60	3.23	-98.87
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1C(=O)[O-]	REAL300000490915	0	38	-2.0	-113.06	332.94	4.86	-108.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CS1	REAL300000490916	0	29	-2.0	-107.45	293.14	2.57	-104.88
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC(C(=O)[O-])=C1OC	REAL300000490917	0	40	-2.0	-112.08	359.82	3.35	-108.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1C(=O)[O-]	REAL300000490918	0	36	-2.0	-117.49	328.77	3.61	-113.88
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490919	0	42	-2.0	-115.78	356.73	6.17	-109.61
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NC=CN=C12	REAL300000490920	0	41	-2.0	-113.83	355.39	5.54	-108.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NC=CN=C12	REAL300000490921	0	38	-2.0	-109.43	331.62	5.26	-104.17
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NC=CN=C12	REAL300000490922	0	39	-2.0	-117.44	351.92	4.11	-113.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC(C(=O)[O-])=C1	REAL300000490923	0	34	-3.0	-187.79	329.90	4.10	-183.69
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=NC=CN=C32)=CC(C(=O)[O-])=C1	REAL300000490923	1	35	-2.0	-111.64	329.93	4.05	-107.59
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490924	0	39	-2.0	-116.15	345.74	5.44	-110.71
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C(C(=O)[O-])O1	REAL300000490925	0	32	-2.0	-104.99	304.50	2.68	-102.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC2=C1OCCO2	REAL300000490926	0	38	-2.0	-116.54	343.66	3.31	-113.23
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490927	0	36	-2.0	-113.06	330.41	2.63	-110.43
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=NC=CN=C34)C=C2C1	REAL300000490928	0	40	-2.0	-97.79	354.42	4.15	-93.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC(Cl)=C1Cl	REAL300000490929	0	32	-2.0	-101.20	329.18	4.39	-96.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C(Cl)C=C1F	REAL300000490930	0	32	-2.0	-103.23	319.09	4.13	-99.10
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1Cl	REAL300000490931	0	36	-2.0	-95.55	348.61	4.37	-91.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC=C1OCC(=O)[O-]	REAL300000490932	0	39	-2.0	-97.62	352.65	4.53	-93.09
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NC=CN=C12	REAL300000490933	0	35	-2.0	-102.41	322.20	4.36	-98.05
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1F	REAL300000490934	0	36	-2.0	-96.56	338.81	3.89	-92.67
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1C(=O)[O-]	REAL300000490935	0	39	-2.0	-118.15	350.63	4.52	-113.63
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C(C(=O)[O-])S1	REAL300000490936	0	32	-2.0	-108.18	311.19	3.42	-104.76
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490937	0	32	-2.0	-100.43	329.72	4.56	-95.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C(Cl)=C1	REAL300000490938	0	32	-2.0	-96.33	314.54	4.10	-92.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1F	REAL300000490939	0	32	-2.0	-98.58	306.02	3.58	-95.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)S1	REAL300000490940	0	29	-2.0	-100.90	293.75	2.67	-98.23
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490941	0	32	-2.0	-102.55	307.91	3.61	-98.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1F	REAL300000490942	0	35	-2.0	-110.24	327.24	4.24	-106.00
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C(Cl)C=C1C(=O)[O-]	REAL300000490943	0	36	-2.0	-100.98	341.80	4.16	-96.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C(F)=C1	REAL300000490944	0	32	-2.0	-98.68	306.96	3.61	-95.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1Cl	REAL300000490945	0	32	-2.0	-96.62	313.99	3.94	-92.68
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NC=CN=C12	REAL300000490946	0	35	-2.0	-104.09	330.94	4.74	-99.35
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1	REAL300000490947	0	40	-2.0	-95.13	365.24	4.95	-90.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC(F)=C1F	REAL300000490948	0	32	-2.0	-100.63	312.32	3.63	-97.00
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490949	0	34	-2.0	-96.69	329.68	4.21	-92.48
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490950	0	33	-2.0	-110.50	311.21	1.25	-109.25
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1	REAL300000490951	0	35	-2.0	-103.52	323.67	4.33	-99.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC(Cl)=C1F	REAL300000490952	0	32	-2.0	-102.03	322.20	4.07	-97.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=NC=CN=C12	REAL300000490953	0	35	-2.0	-107.92	311.53	4.18	-103.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC(C(=O)[O-])=C1F	REAL300000490954	0	35	-2.0	-110.46	326.33	4.19	-106.27
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=NC=CN=C12	REAL300000490955	0	35	-2.0	-98.89	316.91	4.32	-94.57
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC(C(=O)[O-])=C1C	REAL300000490956	0	38	-2.0	-114.76	334.96	4.62	-110.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC=C1[N+](=O)[O-]	REAL300000490957	0	34	-2.0	-109.80	328.05	4.64	-105.16
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490958	0	32	-2.0	-100.52	313.23	3.67	-96.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C(C)=C1C(=O)[O-]	REAL300000490959	0	38	-2.0	-112.42	335.03	4.94	-107.48
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1C(=O)[O-]	REAL300000490960	0	35	-2.0	-109.92	322.97	4.14	-105.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1Cl	REAL300000490961	0	35	-2.0	-108.50	333.28	4.68	-103.82
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490962	0	35	-2.0	-117.01	326.50	4.23	-112.78
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1C(=O)[O-]	REAL300000490963	0	38	-2.0	-113.71	335.43	4.73	-108.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1CC(=O)[O-]	REAL300000490964	0	39	-2.0	-114.14	351.96	3.67	-110.47
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=NC=CN=C12	REAL300000490965	0	35	-2.0	-101.19	327.76	4.72	-96.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1C(F)(F)F	REAL300000490966	0	35	-2.0	-95.57	331.61	4.35	-91.22
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC(C(=O)[O-])=C1Cl	REAL300000490967	0	35	-2.0	-109.25	332.72	4.50	-104.75
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1C(=O)[O-]	REAL300000490968	0	36	-2.0	-111.25	329.44	3.74	-107.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C(C)=C1CC(=O)[O-]	REAL300000490969	0	44	-2.0	-112.21	366.64	6.41	-105.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C(F)C(Cl)=C1F	REAL300000490970	0	32	-2.0	-99.06	327.11	4.10	-94.96
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1C(=O)[O-]	REAL300000490971	0	35	-2.0	-105.06	331.37	4.51	-100.55
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C(C(=O)[O-])S1	REAL300000490972	0	41	-2.0	-107.22	350.92	5.66	-101.56
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1C(=O)[O-]	REAL300000490973	0	36	-2.0	-112.15	341.82	4.17	-107.98
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC=C1C(=O)[O-]	REAL300000490974	0	35	-2.0	-99.22	317.50	4.09	-95.13
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C([N+](=O)[O-])=C1	REAL300000490975	0	37	-2.0	-103.17	344.75	5.72	-97.45
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=NC=CN=C12	REAL300000490976	0	35	-2.0	-109.05	321.44	4.36	-104.69
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1[N+](=O)[O-]	REAL300000490977	0	34	-2.0	-119.32	325.24	5.40	-113.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1F	REAL300000490978	0	32	-2.0	-116.27	305.13	3.57	-112.70
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C1C(=O)[O-]	REAL300000490979	0	35	-2.0	-103.41	322.67	4.11	-99.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=CC2=CC=CC=C21	REAL300000490980	0	38	-2.0	-120.02	342.53	5.66	-114.36
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C1	REAL300000490981	0	31	-2.0	-109.60	297.70	1.66	-107.94
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=NC=CN=C12	REAL300000490982	0	36	-2.0	-103.06	329.69	3.34	-99.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)=C(Cl)O1	REAL300000490983	0	29	-2.0	-99.14	301.60	2.52	-96.62
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=NC=CN=C34)C=C2)CC1	REAL300000490984	0	39	-2.0	-105.41	347.62	5.43	-99.98
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=NC=CN=C34)C=C2C1	REAL300000490985	0	39	-2.0	-108.60	345.58	5.41	-103.19
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=NC=CN=C23)C=C(C(=O)[O-])O1	REAL300000490986	0	35	-2.0	-104.38	323.61	3.53	-100.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=CC=C1F	REAL300000490987	1	34	-2.0	-100.16	330.31	4.05	-96.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C=C1	REAL300000490988	1	34	-2.0	-90.85	325.75	4.03	-86.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=CC=C1	REAL300000490989	1	34	-2.0	-102.79	325.78	4.02	-98.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CSC2=C1	REAL300000490990	0	38	-2.0	-107.87	353.92	3.82	-104.05
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C=C1	REAL300000490991	1	38	-2.0	-90.40	357.23	5.32	-85.08
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=C1	REAL300000490993	0	34	-2.0	-98.34	338.85	4.60	-93.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=CC=C1Cl	REAL300000490994	1	34	-2.0	-98.37	338.28	4.41	-93.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=C1C	REAL300000490995	1	40	-2.0	-105.76	358.46	5.37	-100.39
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=C1	REAL300000490996	0	34	-2.0	-99.71	331.26	4.10	-95.61
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C=C1	REAL300000490997	1	40	-2.0	-89.52	369.34	5.60	-83.92
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=C1	REAL300000490998	0	31	-2.0	-97.37	318.97	3.04	-94.33
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CSC2=C1	REAL300000490999	1	37	-2.0	-103.72	341.21	4.81	-98.91
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C=C1C(=O)[O-]	REAL300000491001	1	35	-2.0	-101.27	332.42	3.37	-97.90
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=C1	REAL300000491003	0	34	-2.0	-93.41	334.90	3.72	-89.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=CS1	REAL300000491005	0	31	-2.0	-98.34	317.43	3.05	-95.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CSC2=C1	REAL300000491007	1	40	-2.0	-102.16	355.92	5.75	-96.41
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C=C(C(=O)[O-])O1	REAL300000491008	0	34	-2.0	-97.18	328.79	3.16	-94.02
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=C1	REAL300000491009	0	38	-2.0	-103.55	354.77	3.12	-100.43
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CSC2=C1	REAL300000491010	1	37	-2.0	-94.58	346.50	4.85	-89.73
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C=C(C(=O)[O-])S1	REAL300000491011	1	34	-2.0	-100.33	334.38	3.91	-96.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C(Cl)=C1	REAL300000491012	0	34	-2.0	-88.45	338.83	4.59	-83.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C=C1F	REAL300000491013	1	34	-2.0	-90.62	330.30	4.07	-86.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)S1	REAL300000491014	0	31	-2.0	-92.28	318.05	3.15	-89.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=CC(F)=C1	REAL300000491015	1	34	-2.0	-93.94	332.17	4.09	-89.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=C1F	REAL300000491016	0	37	-2.0	-101.08	351.54	4.74	-96.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C(F)=C1	REAL300000491017	0	34	-2.0	-90.07	331.24	4.10	-85.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C=C1Cl	REAL300000491018	1	34	-2.0	-88.56	338.28	4.42	-84.14
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=C1	REAL300000491019	0	35	-2.0	-102.57	335.49	1.75	-100.82
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3NC(=O)CSC3=C2)=C1	REAL300000491019	1	35	-2.0	-100.58	324.52	2.62	-97.96
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C=C1	REAL300000491020	1	37	-2.0	-93.86	347.94	4.80	-89.06
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CSC2=C1	REAL300000491021	1	37	-2.0	-98.78	335.85	4.66	-94.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=CC(C(=O)[O-])=C1F	REAL300000491022	1	37	-2.0	-101.89	350.63	4.67	-97.22
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C=C1C(=O)[O-]	REAL300000491026	0	37	-2.0	-100.66	347.26	4.62	-96.04
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=C1	REAL300000491027	0	37	-2.0	-107.04	350.79	4.72	-102.32
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C=C1C(=O)[O-]	REAL300000491028	1	40	-2.0	-104.01	360.02	5.21	-98.80
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C=C1C(=O)[O-]	REAL300000491029	0	38	-2.0	-102.47	353.80	4.23	-98.24
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=CC=C1	REAL300000491032	0	34	-2.0	-106.36	329.40	4.05	-102.31
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C=C1C(=O)[O-]	REAL300000491033	1	37	-2.0	-95.28	350.72	4.69	-90.59
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=C1	REAL300000491034	0	33	-2.0	-99.71	322.76	2.08	-97.63
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)CSC2=C1	REAL300000491035	0	38	-2.0	-94.76	353.98	3.83	-90.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)=C(Cl)O1	REAL300000491036	0	31	-2.0	-91.06	325.93	3.01	-88.05
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CSC3=C2)C=C(C(=O)[O-])O1	REAL300000491037	0	37	-2.0	-97.05	347.91	4.01	-93.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(=O)C1=CC=CC=C1	REAL300000491039	1	43	-2.0	-113.06	386.85	8.97	-104.09
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(=O)C1=CC=CC=C1	REAL300000491040	1	44	-2.0	-111.23	394.51	8.37	-102.86
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)C3=CC=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000491041	0	43	-2.0	-106.07	389.89	8.12	-97.95
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(=O)C1=CC=CC=C1	REAL300000491042	0	42	-2.0	-110.44	383.07	7.10	-103.34
N#CC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=N2)C=C1	REAL300000491043	0	39	-2.0	-96.72	373.94	6.97	-89.75
N#CC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=N2)C=C1	REAL300000491044	0	39	-2.0	-108.54	373.97	6.96	-101.58
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(C#N)C=C3)N=C2)C=C1C(=O)[O-]	REAL300000491045	0	42	-2.0	-110.80	394.03	7.61	-103.19
N#CC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=N2)C=C1	REAL300000491046	0	36	-2.0	-103.12	367.14	6.00	-97.12
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=C(C#N)C=C2)N=C1	REAL300000491047	0	42	-2.0	-110.40	389.39	7.76	-102.64
CN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(C#N)C=C3)N=C2)C=C1C(=O)[O-]	REAL300000491048	0	40	-2.0	-107.17	380.60	6.33	-100.84
N#CC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=N2)C=C1	REAL300000491049	0	36	-2.0	-104.46	365.61	6.01	-98.45
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(C#N)C=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000491050	0	39	-2.0	-103.65	376.97	6.12	-97.53
N#CC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=N2)C=C1	REAL300000491051	0	36	-2.0	-98.34	366.23	6.09	-92.25
N#CC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=N2)C=C1	REAL300000491052	0	40	-2.0	-109.67	383.68	4.68	-104.99
N#CC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=N2)C=C1	REAL300000491053	0	42	-2.0	-100.46	396.13	7.75	-92.71
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=C(C#N)C=C2)N=C1	REAL300000491054	0	42	-2.0	-104.29	384.02	7.59	-96.70
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=C(C#N)C=C2)N=C1	REAL300000491055	0	42	-2.0	-97.14	389.38	7.74	-89.40
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(C#N)C=C3)N=C2)C=C1C(=O)[O-]	REAL300000491056	0	43	-2.0	-108.47	401.98	7.20	-101.27
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(C#N)C=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000491057	0	42	-2.0	-96.80	389.97	7.51	-89.29
N#CC1=CC=C(CN2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=N2)C=C1	REAL300000491058	0	38	-2.0	-106.10	370.18	5.10	-101.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(Cl)=C1F	REAL300000491062	1	32	-2.0	-104.66	332.93	5.90	-98.76
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)=C1	REAL300000491065	1	28	-2.0	-95.43	317.86	6.66	-88.77
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)=C1	REAL300000491068	1	28	-2.0	-96.86	310.25	6.16	-90.70
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)=C1	REAL300000491070	0	25	-2.0	-94.71	297.97	5.11	-89.60
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)=C1	REAL300000491075	0	28	-2.0	-90.99	313.89	5.78	-85.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)=CS1	REAL300000491077	1	25	-2.0	-98.76	292.01	5.22	-93.54
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)C=C(C(=O)[O-])O1	REAL300000491080	1	28	-2.0	-94.09	307.79	5.23	-88.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)=C1	REAL300000491081	1	32	-2.0	-101.40	333.77	5.19	-96.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)C(Cl)=C1	REAL300000491084	1	28	-2.0	-86.02	317.83	6.66	-79.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)S1	REAL300000491086	0	25	-2.0	-89.85	297.04	5.23	-84.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)=C1F	REAL300000491088	1	31	-2.0	-98.13	330.53	6.79	-91.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)C(F)=C1	REAL300000491089	1	28	-2.0	-87.63	310.25	6.17	-81.46
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(Cl)=CC(Cl)=C2F)=C1	REAL300000491091	0	29	-2.0	-99.88	312.76	4.63	-95.25
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000491098	1	31	-2.0	-99.00	330.10	6.79	-92.21
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)=C1	REAL300000491099	1	31	-2.0	-105.34	329.80	6.79	-98.55
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)=C1F	REAL300000491104	1	28	-2.0	-104.81	308.42	6.12	-98.69
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)=C1	REAL300000491106	0	27	-2.0	-100.80	296.57	4.31	-96.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(Cl)=C1F	REAL300000491107	1	32	-2.0	-92.17	332.99	5.89	-86.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)=C(Cl)O1	REAL300000491108	0	25	-2.0	-88.31	304.89	5.07	-83.24
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(Cl)=C2F)C=C(C(=O)[O-])O1	REAL300000491109	1	31	-2.0	-93.93	326.91	6.09	-87.84
CC(C)(C)OC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000491110	1	45	-2.0	-103.22	387.75	5.26	-97.96
CC(C)(C)OC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000491111	1	45	-2.0	-115.33	387.74	5.24	-110.09
CC(C)(C)OC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000491112	0	42	-2.0	-109.68	380.93	4.26	-105.42
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000491113	0	46	-2.0	-113.87	394.39	4.60	-109.27
CC(C)(C)OC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000491114	0	42	-2.0	-112.21	379.13	4.29	-107.92
CC1=C(S(=O)(=O)[N-]C2=CC=CC(NC(=O)OC(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000491115	0	45	-2.0	-108.24	390.78	4.38	-103.86
CC(C)(C)OC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000491116	0	42	-2.0	-105.25	380.02	4.37	-100.88
CC(C)(C)OC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000491117	0	44	-2.0	-111.86	384.73	3.30	-108.56
CCN(C1=CC=CC(C)=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000491145	0	40	-2.0	-109.50	369.17	8.62	-100.88
CCN(C1=CC=CC(C)=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000491168	0	38	-2.0	-109.18	337.34	6.71	-102.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=CC=C1F	REAL300000491201	1	32	-2.0	-103.00	315.86	4.68	-98.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1	REAL300000491202	1	32	-2.0	-93.22	311.30	4.66	-88.56
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C1	REAL300000491203	1	32	-2.0	-105.36	311.32	4.65	-100.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(F)F)=C1	REAL300000491204	0	36	-2.0	-111.16	339.46	4.45	-106.71
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1	REAL300000491205	1	36	-2.0	-93.25	342.77	5.95	-87.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000491206	1	35	-2.0	-106.41	327.34	5.19	-101.22
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C1	REAL300000491207	0	32	-2.0	-101.52	324.39	5.23	-96.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=CC=C1Cl	REAL300000491208	1	32	-2.0	-101.31	323.83	5.05	-96.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C1C	REAL300000491209	1	38	-2.0	-108.92	343.99	6.00	-102.92
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C1	REAL300000491210	0	32	-2.0	-102.84	316.80	4.72	-98.12
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1	REAL300000491211	1	38	-2.0	-92.56	354.89	6.24	-86.32
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C1	REAL300000491212	0	29	-2.0	-99.59	304.51	3.67	-95.92
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(F)F)=C1	REAL300000491213	1	35	-2.0	-106.93	326.76	5.44	-101.49
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1	REAL300000491214	1	36	-2.0	-91.98	342.39	4.94	-87.04
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000491215	0	33	-2.0	-103.73	317.96	4.00	-99.73
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(F)F)=C1	REAL300000491216	1	36	-2.0	-107.30	335.53	3.47	-103.83
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C1	REAL300000491217	0	32	-2.0	-95.87	320.43	4.34	-91.53
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000491218	1	38	-2.0	-107.98	342.78	5.98	-102.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=CS1	REAL300000491219	0	29	-2.0	-101.11	302.97	3.69	-97.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000491220	1	36	-2.0	-111.19	338.61	4.72	-106.47
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(F)F)=C1	REAL300000491221	1	38	-2.0	-105.62	341.46	6.37	-99.25
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000491222	0	32	-2.0	-99.73	314.33	3.79	-95.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C1	REAL300000491223	0	36	-2.0	-106.35	340.31	3.74	-102.61
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(F)F)=C1	REAL300000491224	0	35	-2.0	-97.42	332.03	5.47	-91.95
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000491225	0	32	-2.0	-103.29	319.92	4.54	-98.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C(Cl)=C1	REAL300000491226	0	32	-2.0	-90.92	324.37	5.21	-85.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1F	REAL300000491227	1	32	-2.0	-92.76	315.85	4.69	-88.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)S1	REAL300000491228	0	29	-2.0	-94.56	303.59	3.78	-90.78
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C1	REAL300000491229	0	32	-2.0	-96.29	317.72	4.72	-91.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C1F	REAL300000491230	0	35	-2.0	-104.09	337.09	5.36	-98.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C(F)=C1	REAL300000491231	0	32	-2.0	-92.43	316.79	4.73	-87.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1Cl	REAL300000491232	1	32	-2.0	-90.83	323.82	5.06	-85.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=CC(F)=C1F	REAL300000491233	1	32	-2.0	-94.65	322.15	4.75	-89.90
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C1	REAL300000491234	0	33	-2.0	-105.91	321.04	2.37	-103.54
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1	REAL300000491235	1	35	-2.0	-97.00	333.49	5.44	-91.56
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(F)F)=C1	REAL300000491236	1	35	-2.0	-101.35	321.36	5.30	-96.05
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000491237	1	35	-2.0	-104.21	336.16	5.30	-98.91
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(F)F)=C1	REAL300000491238	1	35	-2.0	-93.62	326.73	5.43	-88.19
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000491239	1	38	-2.0	-109.55	348.82	5.85	-103.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C1	REAL300000491240	0	32	-2.0	-94.39	323.08	4.78	-89.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000491241	1	38	-2.0	-105.61	345.80	6.04	-99.57
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000491242	0	35	-2.0	-105.07	336.63	5.35	-99.72
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C1	REAL300000491243	0	35	-2.0	-109.57	336.36	5.35	-104.22
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000491244	1	38	-2.0	-107.16	345.29	5.84	-101.32
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000491245	0	36	-2.0	-104.95	339.34	4.88	-100.07
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000491246	1	35	-2.0	-93.27	327.33	5.20	-88.07
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(F)F)=C1	REAL300000491247	1	35	-2.0	-104.38	331.28	5.48	-98.90
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C1F	REAL300000491248	0	32	-2.0	-108.91	314.98	4.69	-104.22
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000491249	1	35	-2.0	-97.95	336.26	5.33	-92.62
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C1	REAL300000491250	0	31	-2.0	-102.84	307.54	2.79	-100.05
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(F)F)=C1	REAL300000491251	0	36	-2.0	-97.42	339.52	4.45	-92.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)=C(Cl)O1	REAL300000491252	0	29	-2.0	-93.38	311.47	3.63	-89.75
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000491253	0	35	-2.0	-99.76	333.45	4.64	-95.12
CC1=CC=CC2=C1CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000491284	0	38	-2.0	-111.74	341.92	8.17	-103.57
CC1=CC=CC2=C1CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000491315	0	36	-2.0	-110.86	311.95	6.28	-104.58
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1	REAL300000491353	1	38	-2.0	-93.21	350.05	2.41	-90.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=CC=C1F	REAL300000491354	1	31	-2.0	-109.66	298.10	3.85	-105.81
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC2=C1OCO2	REAL300000491355	0	39	-2.0	-110.56	353.20	4.90	-105.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1	REAL300000491356	1	31	-2.0	-99.95	293.56	3.84	-96.11
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1	REAL300000491357	1	31	-2.0	-113.08	293.56	3.82	-109.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC2=C1OCO2	REAL300000491358	0	35	-2.0	-117.69	321.72	3.63	-114.06
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1	REAL300000491359	1	35	-2.0	-99.40	325.04	5.13	-94.27
CC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000491360	1	34	-2.0	-114.37	309.59	4.36	-110.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1C	REAL300000491361	1	37	-2.0	-114.68	326.68	5.16	-109.52
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1	REAL300000491362	0	31	-2.0	-109.64	299.04	3.90	-105.74
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1	REAL300000491363	1	37	-2.0	-98.66	337.15	5.41	-93.25
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1	REAL300000491364	0	28	-2.0	-106.95	286.76	2.86	-104.09
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC2=C1OCO2	REAL300000491365	1	34	-2.0	-112.78	309.01	4.61	-108.17
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1	REAL300000491366	1	35	-2.0	-98.05	324.65	4.11	-93.94
CN1C=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000491367	1	32	-2.0	-110.86	300.22	3.19	-107.67
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC2=C1OCO2	REAL300000491368	1	35	-2.0	-113.45	317.36	2.67	-110.78
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1	REAL300000491369	0	31	-2.0	-103.24	302.68	3.52	-99.72
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000491370	1	37	-2.0	-115.42	329.02	5.25	-110.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=CS1	REAL300000491371	1	28	-2.0	-108.76	285.23	2.87	-105.89
COC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=CC(C(=O)[O-])=C1OC	REAL300000491372	1	39	-2.0	-113.62	351.89	3.63	-109.99
COC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000491373	1	35	-2.0	-118.38	320.86	3.90	-114.48
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1	REAL300000491374	1	41	-2.0	-117.05	348.81	6.47	-110.58
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC2=C1OCO2	REAL300000491375	1	40	-2.0	-115.13	347.47	5.84	-109.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC2=C1OCO2	REAL300000491376	1	37	-2.0	-110.78	323.69	5.55	-105.23
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC2=C1OCO2	REAL300000491377	0	38	-2.0	-117.52	344.00	4.38	-113.14
O=C([O-])C1=CC(S(=O)(=O)NC2=C(F)C=CC3=C2OCO3)=CC(C(=O)[O-])=C1	REAL300000491378	0	34	-2.0	-113.22	320.39	4.16	-109.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=CC(C(=O)[O-])=C1	REAL300000491378	1	33	-3.0	-189.01	321.98	4.40	-184.61
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1	REAL300000491379	1	38	-2.0	-117.37	337.82	5.73	-111.64
CC1=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C(C(=O)[O-])O1	REAL300000491380	0	31	-2.0	-105.85	298.40	2.93	-102.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=CC2=C1OCCO2	REAL300000491381	1	37	-2.0	-117.49	335.73	3.60	-113.89
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1	REAL300000491382	0	35	-2.0	-114.01	322.54	2.92	-111.09
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=C(F)C=CC4=C3OCO4)C=C2C1	REAL300000491383	1	39	-2.0	-98.61	346.49	4.43	-94.18
CC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=CC=C1OCC(=O)[O-]	REAL300000491384	1	38	-2.0	-98.58	344.73	4.81	-93.77
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC2=C1OCO2	REAL300000491385	1	34	-2.0	-103.39	314.28	4.65	-98.74
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1F	REAL300000491386	1	35	-2.0	-97.36	330.86	4.17	-93.19
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000491387	1	38	-2.0	-119.73	342.70	4.80	-114.93
CC1=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C(C(=O)[O-])S1	REAL300000491388	1	31	-2.0	-109.14	303.27	3.73	-105.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C(Cl)=C1	REAL300000491389	1	31	-2.0	-97.37	306.63	4.38	-92.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1F	REAL300000491390	1	31	-2.0	-99.36	298.08	3.86	-95.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)S1	REAL300000491391	0	28	-2.0	-102.06	285.84	2.96	-99.10
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1	REAL300000491392	1	31	-2.0	-103.74	299.98	3.90	-99.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1F	REAL300000491393	0	34	-2.0	-111.21	319.33	4.53	-106.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C(F)=C1	REAL300000491394	0	31	-2.0	-99.60	299.04	3.89	-95.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1Cl	REAL300000491395	1	31	-2.0	-97.45	306.05	4.22	-93.23
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC2=C1OCO2	REAL300000491396	1	34	-2.0	-105.08	323.02	5.03	-100.05
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1	REAL300000491397	1	39	-2.0	-95.87	357.32	5.23	-90.64
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1	REAL300000491398	1	33	-2.0	-97.38	321.76	4.50	-92.88
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(F)C=CC3=C2OCO3)=C1	REAL300000491399	0	32	-2.0	-111.76	297.64	1.68	-110.08
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1	REAL300000491399	1	32	-2.0	-111.38	303.29	1.54	-109.84
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1	REAL300000491400	1	34	-2.0	-103.59	315.75	4.61	-98.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=CC(Cl)=C1F	REAL300000491401	1	31	-2.0	-103.23	314.27	4.35	-98.88
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC2=C1OCO2	REAL300000491402	1	34	-2.0	-109.33	303.61	4.48	-104.85
CC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=CC(C(=O)[O-])=C1F	REAL300000491403	1	34	-2.0	-111.83	318.42	4.48	-107.35
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC2=C1OCO2	REAL300000491404	1	34	-2.0	-99.93	308.98	4.60	-95.33
CC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=CC(C(=O)[O-])=C1C	REAL300000491405	1	37	-2.0	-115.77	326.45	4.89	-110.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=CC=C1[N+](=O)[O-]	REAL300000491406	1	33	-2.0	-110.29	320.12	4.91	-105.38
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1	REAL300000491407	0	31	-2.0	-101.35	305.31	3.96	-97.39
CC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C(C)=C1C(=O)[O-]	REAL300000491408	1	37	-2.0	-113.79	326.96	5.25	-108.54
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000491409	0	34	-2.0	-112.07	318.89	4.53	-107.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1Cl	REAL300000491410	1	34	-2.0	-109.43	325.33	4.96	-104.47
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1	REAL300000491411	0	34	-2.0	-118.47	318.59	4.52	-113.95
CCC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000491412	1	37	-2.0	-115.17	327.90	5.01	-110.16
COC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1CC(=O)[O-]	REAL300000491413	1	38	-2.0	-115.78	344.03	3.95	-111.83
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(F)C=CC2=C1OCO2	REAL300000491414	1	34	-2.0	-102.43	319.83	5.03	-97.40
CC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=CC(C(=O)[O-])=C1Cl	REAL300000491415	1	34	-2.0	-110.76	324.81	4.79	-105.97
CCN1C=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000491416	1	35	-2.0	-112.14	321.59	4.05	-108.09
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000491417	1	34	-2.0	-107.02	327.34	4.90	-102.12
CC1=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=CC=C1C(=O)[O-]	REAL300000491418	1	34	-2.0	-101.73	313.64	4.47	-97.26
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C([N+](=O)[O-])=C1	REAL300000491419	0	36	-2.0	-104.52	336.83	6.01	-98.51
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC2=C1OCO2	REAL300000491420	1	34	-2.0	-110.35	313.10	4.66	-105.69
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1[N+](=O)[O-]	REAL300000491421	0	33	-2.0	-120.56	317.31	5.67	-114.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1F	REAL300000491422	0	31	-2.0	-117.60	297.21	3.85	-113.75
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000491423	1	34	-2.0	-105.18	318.53	4.50	-100.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=CC2=CC=CC=C21	REAL300000491424	1	37	-2.0	-121.88	334.61	5.95	-115.93
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C1	REAL300000491425	0	30	-2.0	-109.51	290.55	1.91	-107.60
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC2=C1OCO2	REAL300000491426	1	35	-2.0	-104.28	321.77	3.62	-100.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)=C(Cl)O1	REAL300000491427	0	28	-2.0	-100.25	293.68	2.81	-97.44
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C(F)C=CC4=C3OCO4)C=C2)CC1	REAL300000491428	1	38	-2.0	-106.69	339.70	5.71	-100.98
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C(F)C=CC4=C3OCO4)C=C2C1	REAL300000491429	1	38	-2.0	-110.19	337.66	5.69	-104.50
CCC1=C(S(=O)(=O)[N-]C2=C(F)C=CC3=C2OCO3)C=C(C(=O)[O-])O1	REAL300000491430	0	34	-2.0	-105.76	315.70	3.82	-101.94
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000491431	0	36	-2.0	-114.87	340.25	4.60	-110.27
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000491432	0	36	-2.0	-103.93	335.73	4.57	-99.36
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000491433	0	36	-2.0	-117.27	335.72	4.56	-112.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=NN1C	REAL300000491434	0	40	-2.0	-120.39	363.74	4.35	-116.04
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000491435	0	40	-2.0	-101.75	367.18	5.86	-95.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)C=C1C(=O)[O-]	REAL300000491436	0	39	-2.0	-115.20	352.01	5.07	-110.13
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000491437	0	36	-2.0	-110.66	348.67	5.12	-105.54
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000491438	0	36	-2.0	-113.16	348.23	4.96	-108.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)=C1C	REAL300000491439	0	42	-2.0	-118.06	367.99	5.86	-112.20
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000491440	0	36	-2.0	-112.67	341.06	4.62	-108.05
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000491441	0	42	-2.0	-100.91	379.35	6.14	-94.77
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000491442	0	33	-2.0	-111.65	328.78	3.57	-108.08
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=NN1C	REAL300000491443	0	39	-2.0	-116.02	351.03	5.34	-110.68
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000491444	1	40	-2.0	-100.77	366.82	4.83	-95.94
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)C=C1C(=O)[O-]	REAL300000491445	0	37	-2.0	-115.61	342.38	3.92	-111.69
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=NN1C	REAL300000491446	1	40	-2.0	-116.41	359.37	3.38	-113.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)=C1	REAL300000491447	0	36	-2.0	-106.57	344.70	4.24	-102.33
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)C=C1C(=O)[O-]	REAL300000491448	1	42	-2.0	-118.71	370.93	5.97	-112.74
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000491449	0	33	-2.0	-112.90	327.37	3.61	-109.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)C=C1C(=O)[O-]	REAL300000491450	1	40	-2.0	-123.30	363.03	4.63	-118.67
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=NN1C	REAL300000491451	0	42	-2.0	-113.51	365.39	6.23	-107.28
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000491452	0	43	-2.0	-120.64	379.84	6.45	-114.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)C=C(C(=O)[O-])O1	REAL300000491453	0	36	-2.0	-110.32	338.60	3.70	-106.62
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)=C1	REAL300000491454	0	40	-2.0	-117.67	364.51	3.64	-114.03
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=NN1C	REAL300000491455	0	39	-2.0	-107.29	356.30	5.37	-101.92
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)C=C(C(=O)[O-])S1	REAL300000491456	0	36	-2.0	-112.81	345.29	4.44	-108.37
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000491457	0	36	-2.0	-101.08	348.69	5.13	-95.95
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000491458	0	36	-2.0	-103.29	340.26	4.61	-98.68
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000491459	0	33	-2.0	-105.42	327.85	3.68	-101.74
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000491460	0	36	-2.0	-106.15	342.18	4.62	-101.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)=C1F	REAL300000491461	0	39	-2.0	-112.76	361.39	5.27	-107.49
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000491462	0	36	-2.0	-103.92	341.10	4.64	-99.28
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000491463	0	36	-2.0	-101.40	348.23	4.97	-96.43
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000491464	0	36	-2.0	-106.50	346.58	4.66	-101.84
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000491465	0	37	-2.0	-113.96	345.31	2.26	-111.70
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000491466	0	39	-2.0	-105.69	357.95	5.33	-100.36
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=NN1C	REAL300000491467	0	39	-2.0	-113.15	344.44	5.21	-107.94
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)=CC(C(=O)[O-])=C1F	REAL300000491468	0	39	-2.0	-113.68	360.60	5.21	-108.47
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=NN1C	REAL300000491469	1	39	-2.0	-104.06	351.01	5.32	-98.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)=CC(C(=O)[O-])=C1C	REAL300000491470	0	42	-2.0	-122.01	373.25	5.77	-116.24
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000491471	0	36	-2.0	-104.00	347.37	4.69	-99.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)C(C)=C1C(=O)[O-]	REAL300000491472	1	42	-2.0	-117.27	369.37	5.96	-111.31
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)C=C1C(=O)[O-]	REAL300000491473	0	39	-2.0	-115.12	361.00	5.26	-109.86
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)=C1	REAL300000491474	0	39	-2.0	-121.29	360.63	5.24	-116.05
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)C=C1C(=O)[O-]	REAL300000491475	0	42	-2.0	-116.34	369.44	5.72	-110.62
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)C=C1C(=O)[O-]	REAL300000491476	0	40	-2.0	-116.94	363.76	4.79	-112.15
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)=CC=C1C(=O)[O-]	REAL300000491477	0	39	-2.0	-104.58	350.58	5.13	-99.45
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=NN1C	REAL300000491478	1	39	-2.0	-113.86	355.12	5.38	-108.48
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000491479	0	36	-2.0	-120.26	339.23	4.58	-115.68
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)C=C1C(=O)[O-]	REAL300000491480	0	39	-2.0	-110.11	360.80	5.25	-104.86
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000491481	0	35	-2.0	-111.30	332.58	2.61	-108.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=NN1C	REAL300000491482	0	40	-2.0	-107.74	363.80	4.35	-103.39
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000491483	0	33	-2.0	-103.38	335.74	3.54	-99.84
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000491484	0	43	-2.0	-109.49	381.85	6.44	-103.05
CN1N=NN=C1C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000491485	0	43	-2.0	-116.03	379.72	6.44	-109.59
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=NN2C)C=C(C(=O)[O-])O1	REAL300000491486	0	39	-2.0	-109.80	357.73	4.55	-105.25
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1OC	REAL300000491490	0	43	-2.0	-115.74	375.56	4.04	-111.70
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1OC	REAL300000491493	0	39	-2.0	-105.75	360.49	4.81	-100.94
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1OC	REAL300000491496	0	39	-2.0	-107.47	352.89	4.30	-103.17
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1OC	REAL300000491498	0	36	-2.0	-104.52	340.60	3.26	-101.26
COCC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1OC	REAL300000491501	1	40	-2.0	-108.79	354.06	3.60	-105.19
COCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1OC	REAL300000491503	0	39	-2.0	-100.67	356.53	3.93	-96.74
COCC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1OC	REAL300000491505	1	36	-2.0	-106.02	339.07	3.27	-102.75
COCC1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=CC=C1OC	REAL300000491509	0	46	-2.0	-116.72	397.85	4.81	-111.91
COCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1OC	REAL300000491510	0	42	-2.0	-110.33	378.29	4.80	-105.53
COCC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1OC	REAL300000491512	0	39	-2.0	-103.88	350.43	3.38	-100.50
COCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1OC	REAL300000491513	0	43	-2.0	-111.60	376.40	3.34	-108.26
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1OC	REAL300000491515	1	42	-2.0	-101.39	368.13	5.06	-96.33
COCC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1OC	REAL300000491518	1	39	-2.0	-107.30	356.02	4.13	-103.17
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1OC	REAL300000491519	1	39	-2.0	-95.35	360.47	4.80	-90.55
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1OC	REAL300000491520	1	39	-2.0	-97.17	351.94	4.28	-92.89
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1OC	REAL300000491521	0	36	-2.0	-99.48	339.69	3.37	-96.11
COCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1OC	REAL300000491522	1	39	-2.0	-101.14	353.82	4.31	-96.83
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1OC	REAL300000491523	0	42	-2.0	-108.94	373.18	4.95	-103.99
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1OC	REAL300000491524	0	39	-2.0	-97.31	352.88	4.31	-93.00
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1OC	REAL300000491526	1	42	-2.0	-103.11	376.86	5.44	-97.67
COCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1OC	REAL300000491527	1	39	-2.0	-99.14	358.24	4.32	-94.82
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1OC	REAL300000491528	1	41	-2.0	-95.24	375.61	4.91	-90.33
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1OC	REAL300000491529	0	40	-2.0	-109.67	357.13	1.96	-107.71
COCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1OC	REAL300000491529	1	40	-2.0	-107.79	356.22	2.83	-104.96
COCC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1OC	REAL300000491535	1	41	-2.0	-108.47	373.98	5.32	-103.15
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1OC	REAL300000491536	0	39	-2.0	-99.07	359.17	4.37	-94.70
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1OC	REAL300000491538	0	42	-2.0	-108.61	368.89	4.84	-103.77
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1OC	REAL300000491539	0	42	-2.0	-107.56	379.18	5.38	-102.18
COCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1OC	REAL300000491540	0	42	-2.0	-115.71	372.45	4.93	-110.78
COCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1OC	REAL300000491543	1	42	-2.0	-99.94	373.68	5.43	-94.51
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C(COC)=C2)C=C1C(=O)[O-]	REAL300000491545	1	43	-2.0	-110.14	375.44	4.46	-105.68
COCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1OC	REAL300000491549	0	41	-2.0	-118.08	371.14	6.09	-111.99
COCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1OC	REAL300000491550	0	39	-2.0	-114.89	351.03	4.27	-110.62
COCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1OC	REAL300000491551	1	42	-2.0	-103.08	372.35	4.92	-98.16
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1OC	REAL300000491552	0	38	-2.0	-108.13	343.64	2.37	-105.76
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1OC	REAL300000491553	0	43	-2.0	-102.13	375.62	4.04	-98.09
COCC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1OC	REAL300000491554	0	36	-2.0	-97.80	347.57	3.23	-94.57
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C(COC)=C2)C=C(C(=O)[O-])O1	REAL300000491557	0	42	-2.0	-103.71	369.55	4.23	-99.48
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1F	REAL300000491558	1	43	-2.0	-84.32	383.26	3.13	-81.19
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C)C(F)=C1	REAL300000491560	0	44	-2.0	-100.96	386.26	5.64	-95.32
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C)C(F)=C1	REAL300000491563	0	40	-2.0	-107.30	354.78	4.34	-102.96
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1F	REAL300000491566	0	36	-2.0	-97.84	339.87	5.11	-92.73
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000491569	0	36	-2.0	-99.20	332.12	4.60	-94.60
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000491571	0	33	-2.0	-96.79	319.82	3.55	-93.24
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000491574	1	37	-2.0	-104.59	333.29	3.89	-100.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N(C)C)C(F)=C2)=C1	REAL300000491576	0	36	-2.0	-93.08	335.76	4.23	-88.85
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000491578	1	33	-2.0	-98.21	318.29	3.57	-94.64
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C)C(F)=C1	REAL300000491584	0	43	-2.0	-108.21	377.07	5.10	-103.11
CN(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000491585	0	39	-2.0	-106.97	361.77	4.96	-102.01
CC1=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000491587	0	36	-2.0	-96.42	329.65	3.67	-92.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C(F)=C2)=C1	REAL300000491589	0	40	-2.0	-107.14	355.63	3.63	-103.51
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1F	REAL300000491591	1	36	-2.0	-94.79	344.40	5.12	-89.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C)C(F)=C1	REAL300000491593	1	39	-2.0	-98.49	347.37	5.35	-93.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000491596	1	36	-2.0	-99.58	335.40	4.43	-95.15
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1F	REAL300000491597	1	36	-2.0	-88.14	339.86	5.10	-83.04
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000491599	0	33	-2.0	-91.90	318.91	3.67	-88.23
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000491600	1	36	-2.0	-93.41	333.21	4.61	-88.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N(C)C)C(F)=C2)=C1F	REAL300000491601	0	39	-2.0	-105.37	352.40	5.24	-100.13
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000491602	0	36	-2.0	-89.80	332.10	4.61	-85.19
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1F	REAL300000491605	1	44	-2.0	-90.53	390.39	5.95	-84.58
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000491606	1	36	-2.0	-91.79	337.62	4.63	-87.16
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1F	REAL300000491607	1	38	-2.0	-87.75	354.83	5.21	-82.54
CN(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000491608	0	37	-2.0	-102.31	335.54	3.05	-99.26
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000491608	1	37	-2.0	-101.80	336.35	2.25	-99.55
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300000491615	1	38	-2.0	-101.19	353.36	5.63	-95.56
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1F	REAL300000491616	0	36	-2.0	-91.10	338.39	4.67	-86.43
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000491618	0	39	-2.0	-100.26	348.12	5.14	-95.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N(C)C)C(F)=C2)=C1Cl	REAL300000491619	0	39	-2.0	-104.42	358.41	5.68	-98.74
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C(F)=C2)=C1	REAL300000491620	0	39	-2.0	-110.25	351.66	5.23	-105.02
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000491625	1	40	-2.0	-102.17	354.67	4.75	-97.42
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1F	REAL300000491629	0	41	-2.0	-98.45	369.91	6.73	-91.72
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1F	REAL300000491631	0	38	-2.0	-109.96	350.53	6.39	-103.57
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000491632	0	36	-2.0	-106.70	330.26	4.57	-102.13
CN(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000491635	0	35	-2.0	-103.89	322.86	2.65	-101.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N(C)C)C(F)=C1	REAL300000491636	1	40	-2.0	-94.48	355.01	4.34	-90.14
CN(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000491637	0	33	-2.0	-90.39	326.95	3.52	-86.87
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N(C)C)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000491640	0	39	-2.0	-96.25	348.77	4.53	-91.72
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000491641	1	34	-2.0	-104.99	325.79	6.68	-98.31
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000491642	1	34	-2.0	-95.13	321.24	6.66	-88.47
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000491643	1	34	-2.0	-107.46	321.26	6.65	-100.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(C)(F)F	REAL300000491644	0	38	-2.0	-112.13	349.39	6.44	-105.69
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000491645	1	38	-2.0	-94.27	352.70	7.94	-86.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491646	1	37	-2.0	-108.71	337.27	7.18	-101.53
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000491647	0	34	-2.0	-102.46	334.32	7.22	-95.24
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000491648	1	34	-2.0	-103.32	333.76	7.04	-96.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)=C1C	REAL300000491649	1	40	-2.0	-109.35	354.36	7.97	-101.38
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000491650	0	34	-2.0	-104.31	326.73	6.71	-97.60
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000491651	1	40	-2.0	-93.44	364.83	8.23	-85.21
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000491652	0	31	-2.0	-101.89	314.44	5.66	-96.23
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(C)(F)F	REAL300000491653	1	37	-2.0	-107.46	336.69	7.44	-100.02
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000491654	1	38	-2.0	-92.97	352.33	6.92	-86.05
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491655	0	35	-2.0	-105.92	327.90	5.99	-99.93
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(C)(F)F	REAL300000491656	1	38	-2.0	-107.69	345.46	5.46	-102.23
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)=C1	REAL300000491657	0	34	-2.0	-98.11	330.36	6.33	-91.78
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491658	1	40	-2.0	-108.71	352.70	7.97	-100.74
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000491659	0	31	-2.0	-103.24	312.91	5.68	-97.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491660	1	38	-2.0	-113.35	348.54	6.71	-106.64
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(C)(F)F	REAL300000491661	1	40	-2.0	-105.30	344.34	8.14	-97.16
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000491662	1	41	-2.0	-111.77	365.50	8.54	-103.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)C=C(C(=O)[O-])O1	REAL300000491663	0	34	-2.0	-100.96	324.26	5.78	-95.18
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)=C1	REAL300000491664	0	38	-2.0	-109.04	350.17	5.73	-103.31
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(C)(F)F	REAL300000491665	0	37	-2.0	-98.39	341.96	7.46	-90.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)C=C(C(=O)[O-])S1	REAL300000491666	0	34	-2.0	-104.04	329.88	6.54	-97.50
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000491667	0	34	-2.0	-92.54	334.30	7.22	-85.32
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000491668	1	34	-2.0	-94.63	325.79	6.69	-87.94
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000491669	0	31	-2.0	-96.85	313.52	5.77	-91.08
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000491670	0	34	-2.0	-98.41	327.67	6.71	-91.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)=C1F	REAL300000491671	0	37	-2.0	-105.81	347.00	7.34	-98.47
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000491672	0	34	-2.0	-94.61	326.72	6.72	-87.89
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000491673	1	34	-2.0	-92.66	333.76	7.05	-85.61
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000491674	1	34	-2.0	-96.67	332.07	6.74	-89.93
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000491675	0	35	-2.0	-106.00	330.97	4.35	-101.65
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000491676	1	37	-2.0	-98.15	343.43	7.42	-90.73
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(C)(F)F	REAL300000491677	1	37	-2.0	-104.03	331.29	7.29	-96.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)=CC(C(=O)[O-])=C1F	REAL300000491678	1	37	-2.0	-106.43	346.09	7.30	-99.13
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(C)(F)F	REAL300000491679	1	37	-2.0	-94.99	336.67	7.42	-87.57
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)=CC(C(=O)[O-])=C1C	REAL300000491680	1	40	-2.0	-110.66	354.13	7.71	-102.95
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000491681	0	34	-2.0	-96.24	332.99	6.77	-89.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)C(C)=C1C(=O)[O-]	REAL300000491682	1	40	-2.0	-108.39	355.73	8.04	-100.35
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491683	0	37	-2.0	-105.44	342.73	7.25	-98.19
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)=C1	REAL300000491684	0	37	-2.0	-112.97	346.30	7.34	-105.63
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491685	1	40	-2.0	-109.34	355.54	7.82	-101.52
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491686	0	38	-2.0	-107.15	349.28	6.86	-100.29
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)=CC=C1C(=O)[O-]	REAL300000491687	1	37	-2.0	-96.74	341.32	7.29	-89.45
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(C)(F)F	REAL300000491688	1	37	-2.0	-104.79	341.21	7.46	-97.33
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000491689	0	34	-2.0	-112.04	324.89	6.67	-105.37
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491690	1	37	-2.0	-99.33	342.42	7.22	-92.11
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000491691	0	33	-2.0	-105.35	317.47	4.76	-100.59
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(C)(F)F	REAL300000491692	0	38	-2.0	-98.96	349.46	6.44	-92.52
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000491693	0	31	-2.0	-95.26	321.35	5.62	-89.64
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000491694	1	41	-2.0	-101.14	367.38	8.53	-92.61
CC(F)(F)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000491695	1	41	-2.0	-104.78	365.34	8.52	-96.26
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)(F)F)C=C(C(=O)[O-])O1	REAL300000491696	0	37	-2.0	-100.39	339.43	6.51	-93.88
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000491697	0	34	-2.0	-105.54	321.97	6.60	-98.94
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000491698	0	34	-2.0	-95.66	317.43	6.58	-89.08
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000491699	0	34	-2.0	-108.04	317.44	6.57	-101.47
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(C)(F)F	REAL300000491700	0	38	-2.0	-112.13	345.57	6.37	-105.76
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000491701	0	38	-2.0	-94.58	348.90	7.86	-86.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491702	0	37	-2.0	-109.28	333.46	7.09	-102.19
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000491703	0	34	-2.0	-102.53	330.51	7.14	-95.39
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000491704	0	34	-2.0	-103.93	329.94	6.96	-96.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)=C1C	REAL300000491705	0	40	-2.0	-109.63	350.11	7.91	-101.72
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000491706	0	34	-2.0	-104.48	322.91	6.63	-97.85
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000491707	0	40	-2.0	-94.10	361.02	8.15	-85.95
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000491708	0	31	-2.0	-102.48	310.62	5.58	-96.90
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(C)(F)F	REAL300000491709	0	37	-2.0	-107.40	332.87	7.35	-100.05
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000491710	1	38	-2.0	-93.34	348.52	6.84	-86.50
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491711	0	35	-2.0	-106.46	324.09	5.92	-100.54
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(C)(F)F	REAL300000491712	1	38	-2.0	-107.97	341.22	5.40	-102.57
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)=C1	REAL300000491713	0	34	-2.0	-98.68	326.55	6.25	-92.43
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491714	1	40	-2.0	-108.62	348.90	7.89	-100.73
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000491715	0	31	-2.0	-103.77	309.10	5.61	-98.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491716	1	38	-2.0	-113.98	344.73	6.63	-107.35
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(C)(F)F	REAL300000491717	0	40	-2.0	-105.08	340.53	8.06	-97.02
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000491718	0	41	-2.0	-111.82	361.68	8.46	-103.36
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)C=C(C(=O)[O-])O1	REAL300000491719	0	34	-2.0	-101.16	320.45	5.70	-95.46
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)=C1	REAL300000491720	0	38	-2.0	-110.33	346.36	5.66	-104.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(C)(F)F	REAL300000491721	0	37	-2.0	-98.46	338.15	7.38	-91.08
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)C=C(C(=O)[O-])S1	REAL300000491722	0	34	-2.0	-104.00	327.13	6.45	-97.55
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000491723	0	34	-2.0	-93.00	330.49	7.13	-85.87
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000491724	0	34	-2.0	-95.16	321.95	6.61	-88.55
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000491725	0	31	-2.0	-97.43	309.71	5.70	-91.73
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000491726	0	34	-2.0	-99.07	323.86	6.62	-92.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)=C1F	REAL300000491727	0	37	-2.0	-106.03	343.20	7.27	-98.76
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000491728	0	34	-2.0	-95.29	322.90	6.64	-88.65
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000491729	0	34	-2.0	-93.23	329.92	6.97	-86.26
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000491730	0	34	-2.0	-97.26	328.26	6.66	-90.60
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000491731	0	35	-2.0	-105.65	327.16	4.27	-101.38
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000491732	0	37	-2.0	-100.73	339.62	7.34	-93.39
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(C)(F)F	REAL300000491733	0	37	-2.0	-105.07	327.48	7.21	-97.86
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)=CC(C(=O)[O-])=C1F	REAL300000491734	0	37	-2.0	-106.99	342.27	7.22	-99.77
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(C)(F)F	REAL300000491735	1	37	-2.0	-95.43	332.85	7.34	-88.09
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)=CC(C(=O)[O-])=C1C	REAL300000491736	0	40	-2.0	-111.25	350.90	7.64	-103.61
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000491737	0	34	-2.0	-96.55	329.17	6.69	-89.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)C(C)=C1C(=O)[O-]	REAL300000491738	1	40	-2.0	-109.63	350.97	7.98	-101.65
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491739	0	37	-2.0	-106.85	342.76	7.26	-99.59
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)=C1	REAL300000491740	0	37	-2.0	-114.16	342.49	7.26	-106.90
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491741	0	40	-2.0	-109.93	351.76	7.76	-102.17
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491742	0	38	-2.0	-107.74	345.39	6.77	-100.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)=CC=C1C(=O)[O-]	REAL300000491743	0	37	-2.0	-95.77	333.45	7.11	-88.66
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(C)(F)F	REAL300000491744	1	37	-2.0	-105.14	336.98	7.40	-97.74
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000491745	0	34	-2.0	-113.34	321.08	6.59	-106.75
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000491746	0	37	-2.0	-99.95	338.61	7.14	-92.81
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000491747	0	33	-2.0	-106.00	313.65	4.68	-101.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1C(C)(F)F	REAL300000491748	0	38	-2.0	-99.46	345.64	6.36	-93.10
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000491749	0	31	-2.0	-95.64	317.54	5.54	-90.10
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000491750	0	41	-2.0	-101.36	363.56	8.45	-92.91
CC(F)(F)C1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000491751	0	41	-2.0	-96.78	362.53	8.45	-88.33
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2C(C)(F)F)C=C(C(=O)[O-])O1	REAL300000491752	0	37	-2.0	-100.41	335.66	6.43	-93.98
CC(=O)C1=CC=C(Br)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000491755	0	32	-2.0	-115.89	325.72	4.24	-111.65
CC1=CC=CC(OC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=C1	REAL300000491756	1	42	-2.0	-97.69	377.46	8.60	-89.09
CC1=CC=CC(OC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300000491757	1	42	-2.0	-108.97	375.77	8.53	-100.44
CC1=CC=CC(OC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2)=C1	REAL300000491758	1	45	-2.0	-109.69	392.22	9.09	-100.60
CC1=CC=CC(OC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=C1	REAL300000491759	0	39	-2.0	-104.43	370.66	7.60	-96.83
CC1=CC=CC(OC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2)=C1	REAL300000491760	1	45	-2.0	-110.42	392.91	9.38	-101.04
CC1=CC=CC(OC2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=C1	REAL300000491761	0	43	-2.0	-108.73	384.12	7.95	-100.78
CC1=CC=CC(OC2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=C1	REAL300000491762	0	39	-2.0	-104.60	367.42	7.56	-97.04
CC1=C(S(=O)(=O)[N-]C2=CC(OC3=CC(C)=CC=C3)=CC=C2)C=C(C(=O)[O-])O1	REAL300000491763	0	42	-2.0	-102.20	378.78	7.66	-94.54
CC1=CC=CC(OC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=C1	REAL300000491764	0	39	-2.0	-97.87	368.04	7.66	-90.21
CC1=CC=CC(OC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)=C1	REAL300000491765	0	43	-2.0	-109.08	387.18	6.32	-102.76
CC1=CC=CC(OC2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)=C1	REAL300000491765	1	43	-2.0	-107.56	384.64	7.03	-100.53
CC1=CC=CC(OC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)=C1	REAL300000491766	1	45	-2.0	-100.76	399.66	9.37	-91.39
CC1=CC=CC(OC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)=C1	REAL300000491767	1	45	-2.0	-107.08	386.41	9.18	-97.90
CC1=CC=CC(OC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=C2)=C1	REAL300000491768	1	45	-2.0	-97.75	392.89	9.36	-88.39
CC1=CC=CC(OC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2)=C1	REAL300000491769	1	45	-2.0	-96.31	392.20	9.09	-87.22
CC1=CC=CC(OC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=C1	REAL300000491770	0	41	-2.0	-106.46	374.46	6.65	-99.81
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)C=C2C1	REAL300000491771	0	44	-2.0	-99.62	386.52	1.41	-98.21
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2C1	REAL300000491772	0	37	-2.0	-116.70	334.58	2.86	-113.84
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)CC2=C1	REAL300000491773	0	45	-2.0	-118.01	389.92	3.94	-114.07
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2C1	REAL300000491774	0	37	-2.0	-106.13	330.04	2.84	-103.29
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2C1	REAL300000491775	0	37	-2.0	-119.25	330.30	2.84	-116.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)CC2=C1	REAL300000491776	0	41	-2.0	-125.33	358.44	2.65	-122.68
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2C1	REAL300000491777	0	41	-2.0	-105.87	361.75	4.13	-101.74
CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C=C1C(=O)[O-]	REAL300000491778	0	40	-2.0	-120.94	346.07	3.37	-117.57
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2C1	REAL300000491779	0	37	-2.0	-114.91	343.37	3.40	-111.51
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2C1	REAL300000491780	0	37	-2.0	-115.22	342.56	3.22	-112.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)=C1C	REAL300000491781	0	43	-2.0	-122.25	363.40	4.18	-118.07
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2C1	REAL300000491782	0	37	-2.0	-116.74	335.78	2.90	-113.84
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2C1	REAL300000491783	0	43	-2.0	-105.29	373.86	4.42	-100.87
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2C1	REAL300000491784	0	34	-2.0	-112.45	318.53	1.50	-110.95
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)CC2=C1	REAL300000491785	0	40	-2.0	-119.80	340.77	3.25	-116.55
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2C1	REAL300000491786	0	41	-2.0	-104.47	361.37	3.12	-101.35
CN1C=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C=C1C(=O)[O-]	REAL300000491787	0	38	-2.0	-117.55	336.70	2.18	-115.37
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)CC2=C1	REAL300000491788	0	41	-2.0	-120.65	354.51	1.66	-118.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)=C1	REAL300000491789	0	37	-2.0	-108.50	334.45	2.16	-106.34
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C=C1C(=O)[O-]	REAL300000491790	0	43	-2.0	-122.44	360.79	3.89	-118.55
CN1CCN2N=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2C1	REAL300000491791	0	34	-2.0	-114.99	321.71	1.85	-113.14
COC1=CC(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000491792	0	45	-2.0	-119.34	388.37	2.64	-116.70
COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C=C1C(=O)[O-]	REAL300000491793	0	41	-2.0	-125.51	357.33	2.90	-122.61
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)C=C2C1	REAL300000491794	0	47	-2.0	-124.01	380.58	5.10	-118.91
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)CC2=C1	REAL300000491795	0	46	-2.0	-122.71	384.20	4.85	-117.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)CC2=C1	REAL300000491796	0	43	-2.0	-117.98	355.47	4.20	-113.78
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)CC2=C1	REAL300000491797	0	44	-2.0	-126.03	380.73	3.41	-122.62
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C2C1	REAL300000491798	0	39	-3.0	-194.82	358.45	3.38	-191.44
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2C1	REAL300000491799	0	44	-2.0	-124.28	369.58	4.36	-119.92
CC1=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C=C(C(=O)[O-])O1	REAL300000491800	0	37	-2.0	-112.53	333.30	1.98	-110.55
CN1CCN2N=C([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)C=C2C1	REAL300000491801	0	43	-2.0	-124.01	372.23	2.60	-121.41
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)=C1	REAL300000491802	0	41	-2.0	-119.69	354.26	1.57	-118.12
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)C=C2C1	REAL300000491803	0	45	-2.0	-105.96	383.68	3.44	-102.52
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=C2C1	REAL300000491804	0	37	-2.0	-111.25	347.89	3.40	-107.85
CC1=CC(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)=CC=C1OCC(=O)[O-]	REAL300000491805	0	44	-2.0	-104.99	381.20	3.81	-101.18
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)CC2=C1	REAL300000491806	0	40	-2.0	-109.81	346.05	3.29	-106.52
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=C2C1	REAL300000491807	0	41	-2.0	-103.66	367.35	3.18	-100.48
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C=C1C(=O)[O-]	REAL300000491808	0	44	-2.0	-125.71	379.18	3.81	-121.90
CC1=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C=C(C(=O)[O-])S1	REAL300000491809	0	37	-2.0	-115.91	333.97	2.36	-113.55
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2C1	REAL300000491810	0	37	-2.0	-102.98	338.39	3.02	-99.96
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2C1	REAL300000491811	0	37	-2.0	-105.31	334.59	2.87	-102.44
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2C1	REAL300000491812	0	34	-2.0	-107.86	322.55	1.97	-105.89
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2C1	REAL300000491813	0	37	-2.0	-110.00	336.46	2.90	-107.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)=C1F	REAL300000491814	0	40	-2.0	-117.73	351.10	3.18	-114.55
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2C1	REAL300000491815	0	37	-2.0	-104.99	330.80	2.54	-102.45
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2C1	REAL300000491816	0	37	-2.0	-103.51	342.56	3.23	-100.28
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)CC2=C1	REAL300000491817	0	40	-2.0	-111.64	354.78	3.67	-107.97
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)C=C2C1	REAL300000491818	0	45	-2.0	-102.49	393.79	4.24	-98.25
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2C1	REAL300000491819	0	37	-2.0	-107.43	340.87	2.92	-104.51
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C2C1	REAL300000491820	0	39	-2.0	-103.78	358.24	3.50	-100.28
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2C1	REAL300000491821	0	38	-2.0	-118.69	335.06	0.20	-118.49
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2C1	REAL300000491822	0	40	-2.0	-110.13	352.46	3.62	-106.51
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=C2C1	REAL300000491823	0	37	-2.0	-109.01	350.76	3.36	-105.65
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN2CCN(C)CC2=C1	REAL300000491824	0	40	-2.0	-115.38	340.37	3.47	-111.91
CC1=CC(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)=CC(C(=O)[O-])=C1F	REAL300000491825	0	40	-2.0	-117.72	354.88	3.48	-114.24
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN2CCN(C)CC2=C1	REAL300000491826	0	40	-2.0	-105.61	340.75	3.24	-102.37
CC1=CC(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)=CC(C(=O)[O-])=C1C	REAL300000491827	0	43	-2.0	-124.35	366.85	4.00	-120.35
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=C2C1	REAL300000491828	0	39	-2.0	-116.93	356.61	3.92	-113.01
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2C1	REAL300000491829	0	37	-2.0	-107.47	337.10	2.60	-104.87
CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C(C)=C1C(=O)[O-]	REAL300000491830	0	43	-2.0	-118.81	359.82	3.86	-114.95
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C=C1C(=O)[O-]	REAL300000491831	0	40	-2.0	-117.51	346.84	3.07	-114.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)=C1Cl	REAL300000491832	0	40	-2.0	-116.22	357.11	3.60	-112.62
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)=C1	REAL300000491833	0	40	-2.0	-124.34	355.31	3.52	-120.82
CCC1=CC=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C=C1C(=O)[O-]	REAL300000491834	0	43	-2.0	-121.68	364.29	4.02	-117.66
COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C=C1CC(=O)[O-]	REAL300000491835	0	44	-2.0	-121.39	380.52	2.96	-118.43
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN2CCN(C)CC2=C1	REAL300000491836	0	40	-2.0	-107.59	351.60	3.66	-103.93
CC1=CC(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000491837	0	40	-2.0	-116.74	361.27	3.79	-112.95
CCN1C=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C=C1C(=O)[O-]	REAL300000491838	0	41	-2.0	-118.83	358.33	3.06	-115.77
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C(C)=C1CC(=O)[O-]	REAL300000491839	0	49	-2.0	-120.18	395.20	5.70	-114.48
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C=C1C(=O)[O-]	REAL300000491840	0	40	-2.0	-112.41	359.91	3.80	-108.61
CN1CCN2N=C([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)C=C2C1	REAL300000491841	0	46	-2.0	-115.15	375.09	4.53	-110.62
CC1=CC(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)=CC=C1C(=O)[O-]	REAL300000491842	0	40	-2.0	-107.88	350.10	3.47	-104.41
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])C=C2C1	REAL300000491843	0	42	-2.0	-111.84	373.56	5.04	-106.80
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)CC2=C1	REAL300000491844	0	40	-2.0	-117.10	344.88	3.31	-113.79
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=C2C1	REAL300000491845	0	39	-2.0	-125.79	349.08	4.33	-121.46
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2C1	REAL300000491846	0	37	-2.0	-122.74	329.00	2.51	-120.23
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C=C1C(=O)[O-]	REAL300000491847	0	40	-2.0	-110.59	351.21	3.40	-107.19
CN1CCN2N=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C2C1	REAL300000491848	0	43	-2.0	-128.16	371.09	4.95	-123.21
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2C1	REAL300000491849	0	36	-2.0	-116.14	322.33	0.52	-115.62
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN2CCN(C)CC2=C1	REAL300000491850	0	41	-2.0	-110.19	353.54	2.28	-107.91
CN1CCN2N=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2C1	REAL300000491851	0	34	-2.0	-105.60	325.48	1.45	-104.15
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2C1	REAL300000491852	0	44	-2.0	-113.07	376.18	4.72	-108.35
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2C1	REAL300000491853	0	44	-2.0	-116.74	375.74	4.73	-112.01
CCC1=C(S(=O)(=O)[N-]C2=NN3CCN(C)CC3=C2)C=C(C(=O)[O-])O1	REAL300000491854	0	40	-2.0	-112.39	352.43	2.83	-109.56
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000491855	1	41	-2.0	-102.82	377.89	7.87	-94.95
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000491857	1	41	-2.0	-104.93	373.38	7.84	-97.09
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000491859	0	41	-2.0	-102.58	378.84	7.90	-94.68
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000491860	0	38	-2.0	-99.58	366.54	6.86	-92.72
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000491861	1	44	-2.0	-106.02	388.80	8.63	-97.39
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000491862	1	42	-2.0	-103.38	380.01	7.19	-96.19
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000491863	0	41	-2.0	-95.78	382.49	7.52	-88.26
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000491864	0	38	-2.0	-101.01	365.01	6.88	-94.13
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000491865	0	41	-2.0	-99.42	376.40	6.98	-92.44
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000491866	1	41	-2.0	-102.60	381.99	7.75	-94.85
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000491867	1	41	-2.0	-92.49	377.90	7.88	-84.61
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000491868	0	38	-2.0	-94.52	365.62	6.97	-87.55
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000491869	1	41	-2.0	-96.18	379.76	7.91	-88.27
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000491870	0	41	-2.0	-92.38	378.83	7.91	-84.47
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000491871	0	42	-2.0	-105.14	383.07	5.56	-99.58
CCOC(=O)C=CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000491871	1	42	-2.0	-105.86	382.30	6.35	-99.51
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000491872	1	44	-2.0	-96.21	395.53	8.62	-87.59
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000491873	1	44	-2.0	-102.25	386.65	8.59	-93.66
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000491875	1	45	-2.0	-104.66	401.38	8.06	-96.60
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000491877	0	41	-2.0	-108.84	377.02	7.86	-100.98
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000491878	0	40	-2.0	-102.85	369.57	5.97	-96.88
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000491879	0	38	-2.0	-93.24	373.51	6.81	-86.43
CCOC(=O)C=CC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000491880	0	44	-2.0	-99.26	395.49	7.84	-91.42
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000491881	1	39	-2.0	-111.28	347.60	6.50	-104.78
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000491882	1	39	-2.0	-100.97	343.06	6.48	-94.49
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000491883	1	39	-2.0	-114.31	343.07	6.47	-107.84
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000491884	0	43	-2.0	-120.45	371.21	6.27	-114.18
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000491885	1	43	-2.0	-100.26	374.52	7.77	-92.49
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000491886	1	42	-2.0	-115.64	359.08	7.01	-108.63
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000491887	0	39	-2.0	-109.88	356.14	7.05	-102.83
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000491888	1	39	-2.0	-109.86	355.57	6.87	-102.99
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000491889	1	45	-2.0	-117.40	376.17	7.79	-109.61
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000491890	0	39	-2.0	-112.02	348.54	6.54	-105.48
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000491891	1	45	-2.0	-99.71	386.64	8.06	-91.65
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000491892	0	36	-2.0	-108.34	336.26	5.49	-102.85
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000491893	1	42	-2.0	-115.40	358.50	7.25	-108.15
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000491894	1	43	-2.0	-98.93	374.14	6.76	-92.17
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000491895	0	40	-2.0	-112.37	349.70	5.82	-106.55
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000491897	0	39	-2.0	-104.22	352.18	6.15	-98.07
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000491898	1	45	-2.0	-117.23	374.11	7.82	-109.41
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000491899	0	36	-2.0	-109.77	334.71	5.51	-104.26
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000491900	1	43	-2.0	-120.14	370.34	6.54	-113.60
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000491901	1	48	-2.0	-117.76	396.97	8.47	-109.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=CC=C1C1CC1	REAL300000491902	1	45	-2.0	-113.39	372.56	8.17	-105.22
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000491903	0	46	-2.0	-120.70	393.50	7.04	-113.66
COC1=CC=C(C2CC2)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000491904	0	42	-2.0	-112.77	370.06	6.98	-105.79
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000491904	1	41	-3.0	-191.32	371.48	7.03	-184.29
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000491905	1	46	-2.0	-120.04	387.31	8.36	-111.68
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000491906	0	39	-2.0	-107.93	346.07	5.61	-102.32
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000491907	0	43	-2.0	-114.67	372.05	5.56	-109.11
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000491908	0	39	-2.0	-106.16	360.66	7.06	-99.10
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000491909	1	46	-2.0	-99.45	394.22	7.46	-91.99
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000491910	1	42	-2.0	-105.56	363.78	7.28	-98.28
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000491911	1	43	-2.0	-98.14	380.35	6.82	-91.32
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C2CC2)C=C1C(=O)[O-]	REAL300000491912	1	46	-2.0	-120.70	392.20	7.45	-113.25
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000491913	0	39	-2.0	-111.66	351.69	6.36	-105.30
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000491914	0	39	-2.0	-98.15	356.12	7.03	-91.12
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000491915	1	39	-2.0	-100.20	347.57	6.51	-93.69
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000491916	0	36	-2.0	-102.90	335.33	5.60	-97.30
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000491917	1	39	-2.0	-104.83	349.48	6.54	-98.29
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000491918	0	42	-2.0	-113.66	368.83	7.18	-106.48
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000491919	0	39	-2.0	-100.50	348.53	6.54	-93.96
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000491920	1	39	-2.0	-98.41	355.55	6.88	-91.53
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000491921	1	42	-2.0	-107.32	372.51	7.67	-99.65
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000491922	1	39	-2.0	-102.53	353.89	6.57	-95.96
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000491923	0	41	-2.0	-98.59	371.26	7.14	-91.45
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000491924	0	40	-2.0	-114.37	352.78	4.19	-110.18
COC1=CC=C(C2CC2)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000491924	1	40	-2.0	-117.79	346.91	4.50	-113.29
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000491925	1	42	-2.0	-105.19	365.24	7.26	-97.93
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000491926	1	39	-2.0	-104.02	363.78	7.01	-97.01
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000491927	1	42	-2.0	-109.57	353.14	7.10	-102.47
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000491928	1	42	-2.0	-112.64	367.91	7.13	-105.51
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000491929	1	42	-2.0	-101.03	358.48	7.24	-93.79
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000491930	1	45	-2.0	-117.58	375.95	7.54	-110.04
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000491931	0	41	-2.0	-111.62	369.62	7.56	-104.06
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000491932	0	39	-2.0	-103.32	354.80	6.60	-96.72
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000491933	1	45	-2.0	-113.91	377.55	7.85	-106.06
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000491934	0	42	-2.0	-114.44	368.39	7.17	-107.27
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000491935	0	42	-2.0	-111.81	374.83	7.61	-104.20
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000491936	0	42	-2.0	-118.73	368.08	7.17	-111.56
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C2CC2)C=C1C(=O)[O-]	REAL300000491937	1	45	-2.0	-116.36	377.30	7.66	-108.70
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000491938	1	46	-2.0	-116.05	393.53	6.61	-109.44
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000491939	1	42	-2.0	-102.85	369.34	7.65	-95.20
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000491940	1	42	-2.0	-111.63	374.30	7.43	-104.20
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C2CC2)C=C1C(=O)[O-]	REAL300000491941	0	43	-2.0	-113.69	371.09	6.69	-107.00
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000491942	1	42	-2.0	-107.44	372.94	7.44	-100.00
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000491943	1	42	-2.0	-101.26	359.07	7.02	-94.24
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000491944	1	42	-2.0	-112.68	362.61	7.31	-105.37
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000491945	0	41	-2.0	-120.65	366.80	8.31	-112.34
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000491946	0	39	-2.0	-117.86	346.73	6.51	-111.35
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000491947	1	42	-2.0	-105.70	364.24	7.05	-98.65
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000491948	1	45	-2.0	-122.88	384.11	8.59	-114.29
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000491949	0	38	-2.0	-112.22	339.28	4.60	-107.62
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000491950	0	43	-2.0	-105.45	371.27	6.27	-99.18
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000491951	0	36	-2.0	-101.54	343.21	5.47	-96.07
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000491952	1	46	-2.0	-108.01	389.19	8.36	-99.65
COC1=CC=C(C2CC2)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000491953	1	46	-2.0	-111.13	388.51	8.36	-102.77
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC=C2C2CC2)C=C(C(=O)[O-])O1	REAL300000491954	0	42	-2.0	-107.63	365.19	6.46	-101.17
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1F	REAL300000491957	1	43	-2.0	-106.83	380.69	8.29	-98.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1F	REAL300000491960	1	39	-2.0	-113.99	349.22	6.99	-107.00
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)=C1	REAL300000491966	1	35	-2.0	-105.87	326.55	7.26	-98.61
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)=C1	REAL300000491968	1	32	-2.0	-103.15	314.26	6.21	-96.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)=C1	REAL300000491973	1	35	-2.0	-99.37	330.21	6.88	-92.49
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1F	REAL300000491981	1	42	-2.0	-115.27	371.51	7.76	-107.51
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C3CC3)C=C2F)=C1	REAL300000491982	0	38	-2.0	-107.73	349.62	7.68	-100.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)C=C(C(=O)[O-])O1	REAL300000491984	1	35	-2.0	-102.23	324.08	6.33	-95.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)S1	REAL300000491997	1	32	-2.0	-98.13	313.34	6.31	-91.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)=C1F	REAL300000491999	1	38	-2.0	-107.30	346.82	7.89	-99.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)C(F)=C1	REAL300000492001	1	35	-2.0	-95.99	326.54	7.27	-88.72
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3CC3)C=C2F)=C1	REAL300000492007	0	36	-2.0	-106.66	325.36	5.78	-100.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)=C1	REAL300000492015	1	35	-2.0	-97.54	332.81	7.32	-90.22
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)C=C1C(=O)[O-]	REAL300000492017	1	38	-2.0	-107.04	342.55	7.79	-99.25
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)=C1	REAL300000492019	1	38	-2.0	-114.79	346.13	7.89	-106.90
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)C([N+](=O)[O-])=C1	REAL300000492030	0	40	-2.0	-100.61	364.33	9.39	-91.22
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)=C1[N+](=O)[O-]	REAL300000492032	0	37	-2.0	-117.15	344.81	9.05	-108.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)=C1F	REAL300000492033	1	35	-2.0	-113.95	324.72	7.22	-106.73
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)=C1	REAL300000492036	0	34	-2.0	-106.80	317.29	5.31	-101.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)=C(Cl)O1	REAL300000492038	1	32	-2.0	-96.30	321.18	6.17	-90.13
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2F)C=C(C(=O)[O-])O1	REAL300000492041	1	38	-2.0	-102.04	343.21	7.18	-94.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=CC=C1F	REAL300000492042	0	37	-2.0	-107.70	332.84	5.01	-102.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1	REAL300000492043	0	37	-2.0	-98.58	328.29	4.99	-93.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1	REAL300000492044	0	37	-2.0	-110.41	328.31	4.98	-105.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCCO2	REAL300000492045	0	41	-2.0	-115.39	356.45	4.78	-110.61
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1	REAL300000492046	0	41	-2.0	-98.01	359.76	6.28	-91.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1C(=O)[O-]	REAL300000492047	0	40	-2.0	-112.90	348.38	5.63	-107.27
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1	REAL300000492048	0	37	-2.0	-105.49	341.38	5.56	-99.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=CC=C1Cl	REAL300000492049	0	37	-2.0	-106.10	340.81	5.38	-100.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1C	REAL300000492050	0	43	-2.0	-112.23	361.42	6.31	-105.92
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1	REAL300000492051	0	37	-2.0	-107.64	333.78	5.05	-102.59
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1	REAL300000492052	0	43	-2.0	-97.10	371.87	6.56	-90.54
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1	REAL300000492053	0	34	-2.0	-104.82	321.49	4.00	-100.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCCO2	REAL300000492054	0	40	-2.0	-112.22	343.76	5.78	-106.44
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1	REAL300000492055	0	41	-2.0	-96.58	359.38	5.26	-91.32
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1C(=O)[O-]	REAL300000492056	0	38	-2.0	-108.98	334.95	4.33	-104.65
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCCO2	REAL300000492057	0	41	-2.0	-110.58	352.51	3.80	-106.78
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1	REAL300000492058	0	37	-2.0	-102.00	337.44	4.66	-97.34
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1C(=O)[O-]	REAL300000492059	0	43	-2.0	-111.68	359.75	6.31	-105.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=CS1	REAL300000492060	0	34	-2.0	-106.21	319.96	4.02	-102.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1C(=O)[O-]	REAL300000492061	0	41	-2.0	-116.14	355.59	5.05	-111.09
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCCO2	REAL300000492062	0	46	-2.0	-112.56	382.21	7.00	-105.56
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCCO2	REAL300000492063	0	43	-2.0	-109.99	358.46	6.72	-103.27
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCCO2	REAL300000492064	0	44	-2.0	-116.36	378.74	5.54	-110.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=CC(C(=O)[O-])=C1	REAL300000492065	0	39	-3.0	-187.60	356.71	5.55	-182.05
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2OCCCO3)=CC(C(=O)[O-])=C1	REAL300000492065	1	40	-2.0	-112.83	356.79	5.50	-107.33
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1	REAL300000492066	0	44	-2.0	-116.75	372.57	6.88	-109.87
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C(C(=O)[O-])O1	REAL300000492067	0	37	-2.0	-103.87	331.32	4.12	-99.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1	REAL300000492068	0	41	-2.0	-112.13	357.25	4.07	-108.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=CC=C1OCC(=O)[O-]	REAL300000492069	0	44	-2.0	-97.15	379.54	5.96	-91.19
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCCO2	REAL300000492070	0	40	-2.0	-102.61	349.04	5.80	-96.81
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1F	REAL300000492071	0	41	-2.0	-96.15	365.60	5.32	-90.83
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1C(=O)[O-]	REAL300000492072	0	44	-2.0	-118.71	377.44	5.96	-112.75
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C(C(=O)[O-])S1	REAL300000492073	0	37	-2.0	-108.46	338.02	4.87	-103.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C(Cl)=C1	REAL300000492074	0	37	-2.0	-96.08	341.36	5.55	-90.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1F	REAL300000492075	0	37	-2.0	-98.17	332.82	5.02	-93.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)S1	REAL300000492076	0	34	-2.0	-100.04	320.59	4.11	-95.93
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1	REAL300000492077	0	37	-2.0	-102.73	334.71	5.05	-97.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1F	REAL300000492078	0	40	-2.0	-109.14	354.05	5.68	-103.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C(F)=C1	REAL300000492079	0	37	-2.0	-98.39	333.77	5.06	-93.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1Cl	REAL300000492080	0	37	-2.0	-96.14	340.79	5.39	-90.75
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCCO2	REAL300000492081	0	40	-2.0	-104.36	357.77	6.21	-98.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=CC(F)=C1F	REAL300000492082	0	37	-2.0	-99.39	339.13	5.08	-94.31
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1	REAL300000492083	0	39	-2.0	-95.58	356.50	5.65	-89.93
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1	REAL300000492084	0	38	-2.0	-109.04	338.02	2.70	-106.34
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1	REAL300000492085	0	40	-2.0	-101.87	350.48	5.75	-96.12
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCCO2	REAL300000492086	0	40	-2.0	-108.49	338.35	5.61	-102.88
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=CC(C(=O)[O-])=C1F	REAL300000492087	0	40	-2.0	-110.92	353.14	5.64	-105.28
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCCO2	REAL300000492088	0	40	-2.0	-98.26	343.73	5.75	-92.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=CC(C(=O)[O-])=C1C	REAL300000492089	0	43	-2.0	-113.61	361.19	6.04	-107.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=CC=C1[N+](=O)[O-]	REAL300000492090	0	39	-2.0	-108.18	354.86	6.07	-102.11
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1	REAL300000492091	0	37	-2.0	-99.57	340.04	5.11	-94.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C(C)=C1C(=O)[O-]	REAL300000492092	0	43	-2.0	-112.73	362.78	6.37	-106.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1C(=O)[O-]	REAL300000492093	0	40	-2.0	-108.85	349.78	5.59	-103.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1Cl	REAL300000492094	0	40	-2.0	-107.37	360.09	6.12	-101.25
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1	REAL300000492095	0	40	-2.0	-117.89	353.32	5.68	-112.21
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1C(=O)[O-]	REAL300000492096	0	43	-2.0	-114.18	362.70	6.17	-108.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1CC(=O)[O-]	REAL300000492097	0	44	-2.0	-113.33	378.77	5.11	-108.22
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCCO2	REAL300000492098	0	40	-2.0	-100.18	354.59	6.17	-94.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=CC(C(=O)[O-])=C1Cl	REAL300000492099	0	40	-2.0	-109.79	359.53	5.94	-103.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1C(=O)[O-]	REAL300000492100	0	41	-2.0	-110.25	356.34	5.20	-105.05
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1C(=O)[O-]	REAL300000492101	0	40	-2.0	-103.92	358.17	5.95	-97.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=CC=C1C(=O)[O-]	REAL300000492102	0	40	-2.0	-98.67	344.31	5.53	-93.14
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCCO2	REAL300000492103	0	40	-2.0	-107.58	348.26	5.80	-101.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1[N+](=O)[O-]	REAL300000492104	0	39	-2.0	-120.26	352.03	6.83	-113.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1F	REAL300000492105	0	37	-2.0	-114.97	331.97	5.01	-109.96
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C1C(=O)[O-]	REAL300000492106	0	40	-2.0	-102.25	349.47	5.56	-96.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=CC2=CC=CC=C21	REAL300000492107	0	43	-2.0	-118.70	369.34	7.10	-111.60
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C1	REAL300000492108	0	36	-2.0	-109.66	324.52	3.10	-106.56
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OCCCO2	REAL300000492109	0	41	-2.0	-102.68	356.51	4.78	-97.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)=C(Cl)O1	REAL300000492110	0	34	-2.0	-98.94	328.44	3.96	-94.98
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OCCCO4)C=C2)CC1	REAL300000492111	0	44	-2.0	-104.35	374.43	6.85	-97.50
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3OCCCO4)C=C2C1	REAL300000492112	0	44	-2.0	-109.18	372.39	6.84	-102.34
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OCCCO3)C=C(C(=O)[O-])O1	REAL300000492113	0	40	-2.0	-103.26	350.44	4.97	-98.29
COC(=O)CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000492130	0	42	-2.0	-113.58	365.88	6.93	-106.65
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(S(C)(=O)=O)=C1	REAL300000492140	1	37	-2.0	-111.14	352.31	3.21	-107.93
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(S(C)(=O)=O)=C1	REAL300000492141	1	37	-2.0	-102.53	347.75	3.19	-99.34
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(S(C)(=O)=O)=C1	REAL300000492142	1	37	-2.0	-113.74	347.78	3.18	-110.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(S(C)(=O)=O)=C1	REAL300000492143	0	41	-2.0	-121.66	375.90	2.98	-118.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC(S(C)(=O)=O)=C1	REAL300000492144	1	41	-2.0	-102.29	379.23	4.48	-97.81
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(S(C)(=O)=O)=C1	REAL300000492145	1	40	-2.0	-117.75	363.80	3.72	-114.03
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC(S(C)(=O)=O)=C1	REAL300000492146	1	43	-2.0	-119.29	380.44	4.53	-114.76
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(S(C)(=O)=O)=C1	REAL300000492147	0	37	-2.0	-113.05	353.24	3.25	-109.80
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC(S(C)(=O)=O)=C1	REAL300000492148	1	43	-2.0	-101.41	391.35	4.77	-96.64
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(S(C)(=O)=O)=C1	REAL300000492149	0	34	-2.0	-110.29	340.95	2.20	-108.09
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(S(C)(=O)=O)=C1	REAL300000492150	1	40	-2.0	-117.07	363.20	3.96	-113.11
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC(S(C)(=O)=O)=C1	REAL300000492151	1	41	-2.0	-100.75	378.85	3.46	-97.29
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(S(C)(=O)=O)=C1	REAL300000492152	0	38	-2.0	-112.50	354.42	2.53	-109.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC(C)=C2)=C1	REAL300000492154	0	37	-2.0	-105.01	356.88	2.86	-102.15
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC(S(C)(=O)=O)=C1	REAL300000492155	1	43	-2.0	-118.31	379.22	4.50	-113.81
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(S(C)(=O)=O)=C1	REAL300000492156	0	34	-2.0	-109.68	339.43	2.22	-107.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(S(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000492157	1	41	-2.0	-119.50	375.06	3.25	-116.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(S(C)(=O)=O)=C1	REAL300000492158	1	43	-2.0	-115.25	377.90	4.90	-110.35
CC1=C(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC(C)=C2)C=C(C(=O)[O-])O1	REAL300000492159	0	37	-2.0	-109.75	350.77	2.33	-107.42
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC(S(C)(=O)=O)=C1	REAL300000492160	0	41	-2.0	-115.11	376.75	2.27	-112.84
CC1=C(S(=O)(=O)[N-]C2=CC(S(C)(=O)=O)=CC(C)=C2)C=C(C(=O)[O-])S1	REAL300000492161	0	37	-2.0	-113.12	357.46	3.07	-110.05
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(S(C)(=O)=O)=C1	REAL300000492162	1	37	-2.0	-101.74	352.30	3.22	-98.52
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(S(C)(=O)=O)=C1	REAL300000492163	0	34	-2.0	-103.90	340.03	2.31	-101.59
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(S(C)(=O)=O)=C1	REAL300000492164	1	37	-2.0	-104.84	354.18	3.25	-101.59
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(S(C)(=O)=O)=C1	REAL300000492165	0	37	-2.0	-101.79	353.23	3.26	-98.53
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(S(C)(=O)=O)=C1	REAL300000492166	0	38	-2.0	-115.63	357.48	0.89	-114.74
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(S(C)(=O)=O)=C1	REAL300000492166	1	38	-2.0	-106.00	346.48	1.78	-104.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(S(C)(=O)=O)=C1	REAL300000492167	1	40	-2.0	-107.24	369.95	3.96	-103.28
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(S(C)(=O)=O)=C1	REAL300000492168	1	40	-2.0	-110.31	357.81	3.82	-106.49
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC(S(C)(=O)=O)=C1	REAL300000492169	1	40	-2.0	-102.86	363.18	3.96	-98.90
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC(S(C)(=O)=O)=C1	REAL300000492170	1	43	-2.0	-121.11	384.58	4.35	-116.76
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC(S(C)(=O)=O)=C1	REAL300000492171	1	43	-2.0	-114.54	382.24	4.57	-109.97
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(S(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000492172	1	43	-2.0	-118.48	381.74	4.37	-114.11
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(S(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000492173	0	41	-2.0	-113.78	375.80	3.40	-110.38
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(S(C)(=O)=O)=C1	REAL300000492174	1	40	-2.0	-102.83	363.78	3.73	-99.10
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(S(C)(=O)=O)=C1	REAL300000492175	0	37	-2.0	-117.93	351.42	3.22	-114.71
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(S(C)(=O)=O)=C1	REAL300000492176	0	36	-2.0	-111.58	344.76	1.24	-110.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC(S(C)(=O)=O)=C1	REAL300000492177	0	41	-2.0	-107.05	375.96	2.98	-104.07
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(S(C)(=O)=O)=C1	REAL300000492178	0	34	-2.0	-103.12	347.91	2.16	-100.96
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(S(C)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000492179	0	40	-2.0	-109.62	369.90	3.18	-106.44
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300000492180	1	40	-2.0	-96.16	361.62	7.79	-88.37
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000492181	1	40	-2.0	-108.78	361.65	7.78	-101.00
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000492182	1	43	-2.0	-109.96	377.73	8.31	-101.65
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC2=CC=CC=C21	REAL300000492183	0	37	-2.0	-102.99	354.82	6.79	-96.20
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC2=CC=CC=C21	REAL300000492184	1	43	-2.0	-109.90	377.07	8.57	-101.33
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000492185	0	41	-2.0	-106.92	368.29	7.13	-99.79
COC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000492186	0	37	-2.0	-104.38	353.29	6.82	-97.56
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000492187	0	40	-2.0	-102.78	364.65	6.92	-95.86
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC2=CC=CC=C21	REAL300000492188	0	37	-2.0	-97.93	353.91	6.91	-91.02
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300000492189	1	43	-2.0	-99.80	383.81	8.55	-91.25
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC2=CC=CC=C21	REAL300000492190	1	43	-2.0	-104.70	371.70	8.41	-96.29
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC2=CC=CC=C21	REAL300000492191	1	43	-2.0	-96.45	377.06	8.55	-87.90
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC2=CC=CC=C21	REAL300000492192	1	43	-2.0	-96.33	377.72	8.33	-88.00
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC2=CC=CC=C21	REAL300000492193	0	39	-2.0	-106.39	357.86	5.90	-100.49
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000492194	0	37	-2.0	-109.88	357.50	6.30	-103.58
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000492195	0	37	-2.0	-99.36	352.96	6.28	-93.08
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000492196	0	37	-2.0	-110.18	352.96	6.27	-103.91
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000492197	0	41	-2.0	-115.42	381.11	6.07	-109.35
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000492198	0	41	-2.0	-98.40	384.44	7.57	-90.83
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000492199	0	40	-2.0	-111.75	366.29	7.07	-104.68
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000492200	0	43	-2.0	-112.98	385.72	7.63	-105.35
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000492201	0	37	-2.0	-107.73	354.95	6.54	-101.19
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000492202	0	43	-2.0	-97.42	396.55	7.85	-89.57
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000492203	0	34	-2.0	-106.33	342.65	5.50	-100.83
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000492204	0	40	-2.0	-110.64	367.96	7.07	-103.57
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000492205	0	41	-2.0	-97.03	384.05	6.56	-90.47
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000492206	0	38	-2.0	-109.39	359.61	5.63	-103.76
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000492207	0	41	-2.0	-111.48	374.49	5.25	-106.23
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000492208	0	37	-2.0	-102.96	362.09	5.97	-96.99
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000492209	0	43	-2.0	-112.58	380.66	7.87	-104.71
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000492210	0	34	-2.0	-106.25	344.62	5.30	-100.95
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000492211	0	41	-2.0	-116.12	380.25	6.34	-109.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)SC(C)=C1C(=O)OC	REAL300000492212	0	43	-2.0	-109.14	379.50	8.21	-100.93
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000492213	0	37	-2.0	-105.00	356.00	5.42	-99.58
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000492214	0	41	-2.0	-112.62	379.26	5.49	-107.13
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000492215	0	37	-2.0	-108.02	358.89	6.33	-101.69
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000492216	0	37	-2.0	-98.95	357.50	6.31	-92.64
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000492217	0	34	-2.0	-101.48	345.22	5.41	-96.07
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000492218	0	37	-2.0	-101.56	359.38	6.34	-95.22
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000492219	0	37	-2.0	-98.39	354.93	6.54	-91.85
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000492220	0	38	-2.0	-109.07	362.67	3.99	-105.08
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000492221	0	40	-2.0	-102.32	375.15	7.05	-95.27
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000492222	0	40	-2.0	-107.83	358.95	7.09	-100.74
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000492223	0	40	-2.0	-99.15	364.52	7.24	-91.91
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000492224	0	43	-2.0	-113.81	382.58	7.59	-106.22
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000492225	0	43	-2.0	-114.07	386.60	7.69	-106.38
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC(C)=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000492226	0	43	-2.0	-113.50	384.97	7.72	-105.78
CCN1C=C(S(=O)(=O)[N-]C2=C(C)SC(C)=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000492227	0	41	-2.0	-112.47	381.10	6.50	-105.97
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000492228	0	40	-2.0	-99.42	366.79	7.05	-92.37
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000492229	0	37	-2.0	-115.64	353.08	6.51	-109.13
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000492230	0	36	-2.0	-107.79	349.94	4.34	-103.45
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000492231	0	41	-2.0	-102.93	377.67	6.22	-96.71
COC(=O)C1=C(C)SC(C)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000492232	0	34	-2.0	-99.71	350.44	5.41	-94.30
CCC1=C(S(=O)(=O)[N-]C2=C(C)SC(C)=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000492233	0	40	-2.0	-105.07	371.60	6.47	-98.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)=CC=C1F	REAL300000492234	1	39	-2.0	-100.56	355.05	5.49	-95.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)C=C1	REAL300000492235	1	39	-2.0	-91.12	350.50	5.46	-85.66
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)=C1	REAL300000492236	1	39	-2.0	-102.57	350.51	5.46	-97.11
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)C=C1	REAL300000492237	1	43	-2.0	-90.82	381.96	6.76	-84.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)C=C1C(=O)[O-]	REAL300000492238	1	42	-2.0	-103.58	366.53	5.99	-97.59
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)=C1	REAL300000492239	0	39	-2.0	-99.62	355.98	5.52	-94.10
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)=C1	REAL300000492240	0	36	-2.0	-97.31	343.69	4.47	-92.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300000492241	1	42	-2.0	-103.63	365.94	6.25	-97.38
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)C=C1C(=O)[O-]	REAL300000492242	0	40	-2.0	-101.22	357.16	4.83	-96.39
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)=C1	REAL300000492243	0	39	-2.0	-93.63	359.62	5.15	-88.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)=CS1	REAL300000492244	0	36	-2.0	-98.66	342.16	4.49	-94.17
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)C=C(C(=O)[O-])O1	REAL300000492245	0	39	-2.0	-97.26	353.51	4.61	-92.65
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)C=C(C(=O)[O-])S1	REAL300000492246	1	39	-2.0	-100.19	360.20	5.35	-94.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)C=C1F	REAL300000492247	1	39	-2.0	-90.85	355.04	5.50	-85.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)S1	REAL300000492248	0	36	-2.0	-92.52	342.78	4.59	-87.93
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)=C1	REAL300000492249	1	39	-2.0	-93.89	356.91	5.53	-88.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)C(F)=C1	REAL300000492250	0	39	-2.0	-90.26	355.97	5.53	-84.73
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)=C1	REAL300000492251	0	40	-2.0	-102.54	360.22	3.18	-99.36
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3NC(=O)N(C4CC4)C3=C2)=C1	REAL300000492251	1	40	-2.0	-104.07	359.42	3.98	-100.09
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)C=C1	REAL300000492252	1	42	-2.0	-94.09	372.67	6.25	-87.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300000492253	1	42	-2.0	-99.04	360.55	6.11	-92.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)C=C1C(=O)[O-]	REAL300000492255	0	43	-2.0	-102.44	378.46	5.66	-96.78
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)=CC=C1C(=O)[O-]	REAL300000492256	1	42	-2.0	-91.16	366.52	6.01	-85.15
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)=C1F	REAL300000492257	0	39	-2.0	-106.57	354.17	5.50	-101.07
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)=C1	REAL300000492258	0	38	-2.0	-99.72	347.50	3.52	-96.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)=C(Cl)O1	REAL300000492259	0	36	-2.0	-91.23	350.65	4.44	-86.79
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)N(C4CC4)C3=C2)C=C(C(=O)[O-])O1	REAL300000492260	0	42	-2.0	-97.16	372.64	5.46	-91.70
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(CS(=O)(=O)F)=C2)=C1	REAL300000492262	1	34	-2.0	-105.81	340.48	2.94	-102.87
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(CS(=O)(=O)F)=C2)=C1	REAL300000492263	0	31	-2.0	-102.28	333.66	1.95	-100.33
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(CS(=O)(=O)F)=C2)C=C1C(=O)[O-]	REAL300000492264	1	35	-2.0	-104.62	347.13	2.30	-102.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(CS(=O)(=O)F)=C2)=CS1	REAL300000492265	1	31	-2.0	-103.77	332.13	1.97	-101.80
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(CS(=O)(=O)F)=C2)C=C(C(=O)[O-])O1	REAL300000492266	0	34	-2.0	-100.77	343.49	2.07	-98.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(CS(=O)(=O)F)=C2)S1	REAL300000492267	0	31	-2.0	-96.28	332.75	2.07	-94.21
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(CS(=O)(=O)F)=C2)=C1	REAL300000492268	0	33	-2.0	-103.81	336.71	1.06	-102.75
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)=C1	REAL300000492273	0	43	-2.0	-99.89	374.65	6.67	-93.22
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)=C1	REAL300000492274	0	40	-2.0	-97.39	362.35	5.62	-91.77
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000492276	1	44	-2.0	-101.56	375.82	5.96	-95.60
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)=C1	REAL300000492277	0	43	-2.0	-93.67	378.29	6.29	-87.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)=CS1	REAL300000492278	1	40	-2.0	-98.92	360.82	5.64	-93.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000492279	0	43	-2.0	-101.14	372.18	5.74	-95.40
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000492280	1	43	-2.0	-100.39	377.77	6.51	-93.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)S1	REAL300000492282	0	40	-2.0	-92.52	361.44	5.74	-86.78
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)=C1	REAL300000492283	1	43	-2.0	-94.09	375.57	6.68	-87.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)C(F)=C1	REAL300000492284	0	43	-2.0	-90.33	374.63	6.68	-83.65
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3CCCCC3)C(F)=C2)=C1	REAL300000492285	0	44	-2.0	-102.99	378.07	5.11	-97.88
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)=C1	REAL300000492285	1	44	-2.0	-102.48	378.88	4.32	-98.16
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)C=C1C(=O)[O-]	REAL300000492289	1	47	-2.0	-102.86	397.20	6.83	-96.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)=C1F	REAL300000492291	0	43	-2.0	-107.56	372.78	6.63	-100.93
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)=C1	REAL300000492292	0	42	-2.0	-104.71	366.16	4.66	-100.05
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCCCC3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000492293	0	46	-2.0	-96.86	391.30	6.59	-90.27
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(C)C	REAL300000492298	0	47	-2.0	-105.56	402.62	8.11	-97.45
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(C)C	REAL300000492299	0	44	-2.0	-102.42	390.32	7.06	-95.36
CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(C)C	REAL300000492301	1	48	-2.0	-106.69	403.79	7.39	-99.30
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C(C)C	REAL300000492302	0	47	-2.0	-98.50	406.25	7.72	-90.78
CCCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(C)C	REAL300000492303	1	44	-2.0	-103.86	388.79	7.08	-96.78
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C(C)C	REAL300000492304	0	47	-2.0	-102.00	400.15	7.18	-94.82
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C(C)C	REAL300000492305	1	47	-2.0	-105.66	405.74	7.94	-97.72
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(C)C	REAL300000492307	0	44	-2.0	-97.23	389.41	7.18	-90.05
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(C)C	REAL300000492308	1	47	-2.0	-99.04	403.54	8.11	-90.93
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(C)C	REAL300000492309	0	47	-2.0	-94.96	402.60	8.12	-86.84
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C(C)C	REAL300000492310	0	48	-2.0	-108.21	406.85	5.76	-102.45
CCCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C(C)C	REAL300000492310	1	48	-2.0	-104.94	395.88	6.65	-98.29
CCCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1C(C)C	REAL300000492314	1	51	-2.0	-108.00	425.16	8.26	-99.74
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(C)C	REAL300000492316	0	47	-2.0	-112.41	400.80	8.08	-104.33
CCCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(C)C	REAL300000492317	0	46	-2.0	-105.95	393.36	6.17	-99.78
CCCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1C(C)C	REAL300000492318	0	50	-2.0	-101.96	419.27	8.03	-93.93
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1	REAL300000492319	0	43	-2.0	-92.62	379.68	0.31	-92.31
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC=C1F	REAL300000492320	0	36	-2.0	-108.48	327.75	1.76	-106.72
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOCC1	REAL300000492321	0	44	-2.0	-107.89	382.84	2.83	-105.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1	REAL300000492322	0	36	-2.0	-99.25	323.21	1.73	-97.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492323	0	36	-2.0	-110.65	323.23	1.72	-108.93
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOCC1	REAL300000492324	0	40	-2.0	-114.40	351.36	1.54	-112.86
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1	REAL300000492325	0	40	-2.0	-98.54	354.67	3.02	-95.52
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1C(=O)[O-]	REAL300000492326	0	39	-2.0	-111.76	339.26	2.26	-109.50
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492327	0	36	-2.0	-105.21	336.29	2.28	-102.93
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC=C1Cl	REAL300000492328	0	36	-2.0	-106.74	335.73	2.12	-104.62
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C(Cl)C=C1Cl	REAL300000492329	0	36	-2.0	-101.05	348.78	2.66	-98.39
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOCC2)=C(Cl)C=C1Cl	REAL300000492329	1	35	-3.0	-201.81	346.53	1.89	-199.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1C	REAL300000492330	0	42	-2.0	-111.58	355.62	3.02	-108.56
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492331	0	36	-2.0	-106.69	328.70	1.79	-104.90
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1	REAL300000492332	0	42	-2.0	-97.28	366.79	3.32	-93.96
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492333	0	33	-2.0	-105.31	316.41	0.75	-104.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOCC1	REAL300000492334	0	39	-2.0	-109.94	338.23	2.45	-107.49
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1	REAL300000492335	0	40	-2.0	-97.26	354.29	2.01	-95.25
CN1C=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1C(=O)[O-]	REAL300000492336	0	37	-2.0	-109.63	329.88	1.08	-108.55
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOCC1	REAL300000492337	0	40	-2.0	-110.40	347.43	0.53	-109.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492338	0	36	-2.0	-101.97	332.34	1.41	-100.56
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1C(=O)[O-]	REAL300000492339	0	42	-2.0	-110.80	354.68	3.03	-107.77
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CS1	REAL300000492340	0	33	-2.0	-107.29	314.87	0.76	-106.53
COC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC(C(=O)[O-])=C1OC	REAL300000492341	0	44	-2.0	-111.86	381.53	1.54	-110.32
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1C(=O)[O-]	REAL300000492342	0	40	-2.0	-117.39	350.51	1.79	-115.60
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492343	0	46	-2.0	-113.52	378.45	4.26	-109.26
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOCC1	REAL300000492344	0	45	-2.0	-111.66	377.12	3.70	-107.96
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOCC1	REAL300000492345	0	42	-2.0	-107.49	353.36	3.25	-104.24
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOCC1	REAL300000492346	0	43	-2.0	-116.49	373.65	2.29	-114.20
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC(C(=O)[O-])=C1	REAL300000492347	0	38	-3.0	-186.56	351.64	2.29	-184.27
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492348	0	43	-2.0	-113.94	367.47	3.61	-110.33
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C(C(=O)[O-])O1	REAL300000492349	0	36	-2.0	-103.93	326.23	0.87	-103.06
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC2=C1OCCO2	REAL300000492350	0	42	-2.0	-115.85	365.40	1.50	-114.35
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492351	0	40	-2.0	-114.68	352.13	0.83	-113.85
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCOCC3)C=C2C1	REAL300000492352	0	44	-2.0	-98.60	376.85	2.35	-96.25
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC(Cl)=C1Cl	REAL300000492353	0	36	-2.0	-101.36	350.91	2.58	-98.78
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOCC2)=CC(Cl)=C1Cl	REAL300000492353	1	35	-3.0	-203.13	348.65	1.81	-201.32
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C(Cl)C=C1F	REAL300000492354	0	36	-2.0	-102.25	340.81	2.31	-99.94
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOCC2)=C(Cl)C=C1F	REAL300000492354	1	35	-3.0	-201.43	338.55	1.53	-199.90
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1Cl	REAL300000492355	0	40	-2.0	-95.86	370.32	2.55	-93.31
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC=C1OCC(=O)[O-]	REAL300000492356	0	43	-2.0	-97.67	374.38	2.72	-94.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOCC1	REAL300000492357	0	39	-2.0	-101.11	343.93	2.53	-98.58
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1F	REAL300000492358	0	40	-2.0	-96.88	360.51	2.07	-94.81
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1C(=O)[O-]	REAL300000492359	0	43	-2.0	-118.07	372.36	2.70	-115.37
CC1=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C(C(=O)[O-])S1	REAL300000492360	0	36	-2.0	-106.66	331.82	1.63	-105.03
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492361	0	36	-2.0	-99.49	351.44	2.73	-96.76
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2CCOCC2)=C1	REAL300000492361	1	35	-3.0	-200.20	349.18	1.95	-198.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C(Cl)=C1	REAL300000492362	0	36	-2.0	-96.97	336.27	2.27	-94.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1F	REAL300000492363	0	36	-2.0	-98.86	327.75	1.77	-97.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)S1	REAL300000492364	0	33	-2.0	-100.80	315.49	0.86	-99.94
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492365	0	36	-2.0	-102.52	329.62	1.79	-100.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1F	REAL300000492366	0	39	-2.0	-108.05	348.98	2.43	-105.62
COC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C(Cl)C=C1C(=O)[O-]	REAL300000492367	0	40	-2.0	-101.82	363.53	2.34	-99.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C(F)=C1	REAL300000492368	0	36	-2.0	-98.91	328.68	1.80	-97.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1Cl	REAL300000492369	0	36	-2.0	-96.88	335.72	2.13	-94.75
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOCC1	REAL300000492370	0	39	-2.0	-102.62	352.66	2.91	-99.71
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1	REAL300000492371	0	44	-2.0	-95.24	386.97	3.14	-92.10
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC(F)=C1F	REAL300000492372	0	36	-2.0	-101.00	334.05	1.82	-99.18
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOCC2)=CC(F)=C1F	REAL300000492372	1	35	-3.0	-199.88	331.79	1.05	-198.83
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492373	0	38	-2.0	-96.79	351.43	2.40	-94.39
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492374	0	37	-2.0	-107.78	332.94	-0.55	-108.33
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492374	1	36	-3.0	-206.33	329.37	0.33	-206.00
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1	REAL300000492375	0	39	-2.0	-101.36	345.39	2.51	-98.85
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC(Cl)=C1F	REAL300000492376	0	36	-2.0	-102.37	343.94	2.26	-100.11
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOCC2)=CC(Cl)=C1F	REAL300000492376	1	35	-3.0	-202.48	341.68	1.49	-200.99
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1CCOCC1	REAL300000492377	0	39	-2.0	-109.18	333.29	2.35	-106.83
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC(C(=O)[O-])=C1F	REAL300000492378	0	39	-2.0	-109.90	348.05	2.38	-107.52
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCOCC1	REAL300000492379	0	39	-2.0	-98.97	338.63	2.49	-96.48
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC(C(=O)[O-])=C1C	REAL300000492380	0	42	-2.0	-116.07	360.02	2.89	-113.18
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC=C1[N+](=O)[O-]	REAL300000492381	0	38	-2.0	-109.71	349.80	2.82	-106.89
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492382	0	36	-2.0	-99.10	334.98	1.85	-97.25
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2CCOCC2)=C1	REAL300000492382	1	35	-3.0	-201.59	332.72	1.08	-200.51
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C(C)=C1C(=O)[O-]	REAL300000492383	0	42	-2.0	-113.61	356.61	3.05	-110.56
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1C(=O)[O-]	REAL300000492384	0	39	-2.0	-107.70	344.70	2.33	-105.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1Cl	REAL300000492385	0	39	-2.0	-106.90	354.99	2.85	-104.05
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492386	0	39	-2.0	-117.97	348.26	2.42	-115.55
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1C(=O)[O-]	REAL300000492387	0	42	-2.0	-112.45	357.16	2.91	-109.54
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1CC(=O)[O-]	REAL300000492388	0	43	-2.0	-115.07	373.69	1.86	-113.21
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1CCOCC1	REAL300000492389	0	39	-2.0	-102.12	349.49	2.83	-99.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1C(F)(F)F	REAL300000492390	0	39	-2.0	-95.95	353.33	2.54	-93.41
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC(C(=O)[O-])=C1Cl	REAL300000492391	0	39	-2.0	-108.56	354.44	2.68	-105.88
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1C(=O)[O-]	REAL300000492392	0	40	-2.0	-110.95	351.24	1.95	-109.00
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C(C)=C1CC(=O)[O-]	REAL300000492393	0	48	-2.0	-114.80	387.63	4.56	-110.24
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C(F)C(Cl)=C1F	REAL300000492394	0	36	-2.0	-97.99	348.80	2.28	-95.71
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOCC2)=C(F)C(Cl)=C1F	REAL300000492394	1	35	-3.0	-198.08	346.57	1.51	-196.57
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1C(=O)[O-]	REAL300000492395	0	39	-2.0	-105.68	356.96	2.79	-102.89
CC(C)(C)C1=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C(C(=O)[O-])S1	REAL300000492396	0	45	-2.0	-106.78	372.95	3.63	-103.15
COC1=CC(Cl)=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1C(=O)[O-]	REAL300000492397	0	40	-2.0	-110.76	363.54	2.34	-108.42
CC1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC=C1C(=O)[O-]	REAL300000492398	0	39	-2.0	-99.35	339.22	2.27	-97.08
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C([N+](=O)[O-])=C1	REAL300000492399	0	41	-2.0	-102.03	366.50	3.79	-98.24
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1CCOCC1	REAL300000492400	0	39	-2.0	-107.36	343.18	2.53	-104.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1[N+](=O)[O-]	REAL300000492401	0	38	-2.0	-120.37	346.95	3.58	-116.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1F	REAL300000492402	0	36	-2.0	-117.22	326.89	1.76	-115.46
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C1C(=O)[O-]	REAL300000492403	0	39	-2.0	-103.88	348.16	2.40	-101.48
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=CC2=CC=CC=C21	REAL300000492404	0	42	-2.0	-119.80	364.27	3.86	-115.94
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C1	REAL300000492405	0	35	-2.0	-106.23	320.21	-0.22	-106.45
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1CCOCC1	REAL300000492406	0	40	-2.0	-103.07	351.42	1.53	-101.54
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2CCOCC2)=C(Cl)O1	REAL300000492407	0	33	-2.0	-98.67	323.36	0.72	-97.95
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2CCOCC2)=C(Cl)O1	REAL300000492407	1	32	-3.0	-195.85	321.11	-0.08	-195.93
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCOCC3)C=C2)CC1	REAL300000492408	0	43	-2.0	-104.88	369.35	3.61	-101.27
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]NC(=O)C3CCOCC3)C=C2C1	REAL300000492409	0	43	-2.0	-110.67	368.66	3.61	-107.06
CCC1=C(S(=O)(=O)[N-]NC(=O)C2CCOCC2)C=C(C(=O)[O-])O1	REAL300000492410	0	39	-2.0	-103.49	345.33	1.66	-101.83
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1O	REAL300000492411	1	45	-2.0	-88.63	391.79	2.75	-85.88
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(C)C)=C1	REAL300000492413	0	46	-2.0	-106.54	394.94	5.25	-101.29
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(C)C)=C1	REAL300000492416	0	42	-2.0	-113.57	363.46	3.95	-109.62
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1O	REAL300000492419	0	38	-2.0	-103.02	348.39	4.73	-98.29
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1O	REAL300000492422	0	38	-2.0	-104.70	340.80	4.22	-100.48
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1O	REAL300000492424	0	35	-2.0	-101.53	328.50	3.18	-98.35
CC(C)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1O	REAL300000492427	1	39	-2.0	-105.77	341.97	3.51	-102.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)C)=C2)=C1	REAL300000492429	0	38	-2.0	-97.85	344.43	3.84	-94.01
CC(C)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1O	REAL300000492431	1	35	-2.0	-102.97	326.97	3.19	-99.78
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(C)C)=C1	REAL300000492437	0	45	-2.0	-114.06	385.75	4.72	-109.34
CC(C)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000492438	0	41	-2.0	-111.27	366.19	4.72	-106.55
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000492440	0	38	-2.0	-101.74	338.33	3.30	-98.44
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)C)=C2)=C1	REAL300000492442	0	42	-2.0	-108.29	364.30	3.25	-105.04
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1O	REAL300000492444	1	38	-2.0	-99.65	352.92	4.74	-94.91
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(C)C)=C1	REAL300000492447	1	41	-2.0	-99.37	356.03	4.98	-94.39
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000492450	1	38	-2.0	-104.68	343.92	4.05	-100.63
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1O	REAL300000492451	1	38	-2.0	-92.59	348.37	4.72	-87.87
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1O	REAL300000492453	0	35	-2.0	-96.81	327.59	3.29	-93.52
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000492454	1	38	-2.0	-98.06	341.73	4.23	-93.83
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)C)=C2)=C1F	REAL300000492455	0	41	-2.0	-106.61	361.09	4.85	-101.76
COC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000492456	0	42	-2.0	-97.24	375.63	4.78	-92.46
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1O	REAL300000492457	0	38	-2.0	-94.39	340.78	4.23	-90.16
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1O	REAL300000492460	1	46	-2.0	-91.53	399.07	5.57	-85.96
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1O	REAL300000492461	1	38	-2.0	-96.73	346.14	4.25	-92.48
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1O	REAL300000492462	1	40	-2.0	-92.73	363.51	4.83	-87.90
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1O	REAL300000492463	0	39	-2.0	-107.25	345.04	1.87	-105.38
CC(C)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1O	REAL300000492463	1	39	-2.0	-107.63	344.13	2.74	-104.89
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1O	REAL300000492470	1	40	-2.0	-106.13	361.88	5.25	-100.88
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1O	REAL300000492471	0	38	-2.0	-96.59	347.08	4.29	-92.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)C)=C2)C=C1C(=O)[O-]	REAL300000492473	0	41	-2.0	-107.47	360.64	4.86	-102.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)C)=C2)=C1Cl	REAL300000492474	0	41	-2.0	-105.34	367.06	5.29	-100.05
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)C)=C2)=C1	REAL300000492475	0	41	-2.0	-112.00	360.36	4.85	-107.15
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)C)=C2)C=C1C(=O)[O-]	REAL300000492480	1	42	-2.0	-107.04	363.34	4.37	-102.67
CC(C)C1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1O	REAL300000492483	1	47	-2.0	-104.28	384.78	6.29	-97.99
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)C)=C2)C=C1C(=O)[O-]	REAL300000492484	1	42	-2.0	-108.53	375.64	4.79	-103.74
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1O	REAL300000492486	0	43	-2.0	-100.11	378.59	6.36	-93.75
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1O	REAL300000492488	0	40	-2.0	-115.25	359.05	6.01	-109.24
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1O	REAL300000492489	0	38	-2.0	-112.01	338.94	4.19	-107.82
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1O	REAL300000492492	0	37	-2.0	-105.47	331.55	2.29	-103.18
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(C)C)=C1	REAL300000492493	0	42	-2.0	-99.40	363.52	3.96	-95.44
CC(C)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1O	REAL300000492494	0	35	-2.0	-95.15	335.47	3.14	-92.01
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000492497	0	41	-2.0	-101.67	357.45	4.15	-97.52
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C21	REAL300000492498	0	37	-2.0	-102.76	334.71	4.40	-98.36
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C21	REAL300000492499	0	37	-2.0	-93.38	329.82	4.40	-88.98
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C21	REAL300000492500	0	37	-2.0	-104.95	329.84	4.39	-100.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)C(=O)CO2	REAL300000492501	0	41	-2.0	-109.30	357.97	4.19	-105.11
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C21	REAL300000492502	0	41	-2.0	-92.67	361.30	5.69	-86.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)C=C1C(=O)[O-]	REAL300000492503	0	40	-2.0	-105.92	346.18	4.90	-101.02
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C21	REAL300000492504	0	37	-2.0	-100.25	342.91	4.97	-95.28
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C21	REAL300000492505	0	37	-2.0	-100.93	342.68	4.76	-96.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)=C1C	REAL300000492506	0	43	-2.0	-107.04	361.23	5.66	-101.38
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C21	REAL300000492507	0	37	-2.0	-101.83	335.31	4.45	-97.38
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C21	REAL300000492508	0	43	-2.0	-91.52	373.42	5.96	-85.56
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C21	REAL300000492509	0	34	-2.0	-99.75	323.02	3.41	-96.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)C(=O)CO2	REAL300000492510	0	40	-2.0	-105.29	343.51	5.11	-100.18
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C21	REAL300000492511	0	41	-2.0	-91.34	360.92	4.67	-86.67
CN1C=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)OCC(=O)N3C)C=C1C(=O)[O-]	REAL300000492512	0	38	-2.0	-103.85	336.80	3.72	-100.13
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)C(=O)CO2	REAL300000492513	1	41	-2.0	-105.67	352.23	3.14	-102.53
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)=C1	REAL300000492514	0	37	-2.0	-96.20	338.96	4.07	-92.13
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)C=C1C(=O)[O-]	REAL300000492515	0	43	-2.0	-106.34	359.51	5.64	-100.70
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C21	REAL300000492516	0	34	-2.0	-100.96	321.80	3.41	-97.55
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)C=C1C(=O)[O-]	REAL300000492517	0	41	-2.0	-111.24	357.45	4.44	-106.80
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)C(=O)CO2	REAL300000492518	0	43	-2.0	-100.21	353.00	5.69	-94.52
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)C=C(C(=O)[O-])O1	REAL300000492519	0	37	-2.0	-99.37	332.84	3.53	-95.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)=C1	REAL300000492520	0	41	-2.0	-106.40	358.76	3.48	-102.92
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)C(=O)CO2	REAL300000492521	0	40	-2.0	-96.58	348.75	5.14	-91.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)C=C(C(=O)[O-])S1	REAL300000492522	0	37	-2.0	-102.22	337.88	4.26	-97.96
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C21	REAL300000492523	0	37	-2.0	-91.02	342.89	4.96	-86.06
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C21	REAL300000492524	0	37	-2.0	-93.25	334.67	4.42	-88.83
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C21	REAL300000492525	0	34	-2.0	-95.11	322.09	3.52	-91.59
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C21	REAL300000492526	0	37	-2.0	-96.32	336.57	4.43	-91.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)=C1F	REAL300000492527	0	40	-2.0	-103.18	355.57	5.09	-98.09
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C21	REAL300000492528	0	37	-2.0	-92.83	335.30	4.46	-88.37
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C21	REAL300000492529	0	37	-2.0	-91.15	342.64	4.78	-86.37
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C21	REAL300000492530	0	37	-2.0	-95.14	340.97	4.47	-90.67
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C21	REAL300000492531	0	38	-2.0	-104.08	338.93	2.12	-101.96
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C21	REAL300000492532	0	40	-2.0	-95.98	352.02	5.16	-90.82
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)C(=O)CO2	REAL300000492533	0	40	-2.0	-101.67	338.68	4.98	-96.69
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)=CC(C(=O)[O-])=C1F	REAL300000492534	0	40	-2.0	-104.09	354.99	5.02	-99.07
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)C(=O)CO2	REAL300000492535	0	40	-2.0	-93.52	343.54	5.10	-88.42
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)=CC(C(=O)[O-])=C1C	REAL300000492536	0	43	-2.0	-108.14	363.62	5.45	-102.69
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C21	REAL300000492537	0	37	-2.0	-94.07	341.57	4.52	-89.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)C(C)=C1C(=O)[O-]	REAL300000492538	0	43	-2.0	-105.94	362.27	5.70	-100.24
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)C=C1C(=O)[O-]	REAL300000492539	0	40	-2.0	-104.03	355.16	5.09	-98.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)=C1	REAL300000492540	0	40	-2.0	-110.38	354.89	5.08	-105.30
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)C=C1C(=O)[O-]	REAL300000492541	0	43	-2.0	-106.55	364.45	5.55	-101.00
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)C=C1C(=O)[O-]	REAL300000492542	0	41	-2.0	-105.11	358.17	4.59	-100.52
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)=CC=C1C(=O)[O-]	REAL300000492543	0	40	-2.0	-93.56	346.16	4.91	-88.65
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)C(=O)CO2	REAL300000492544	0	40	-2.0	-103.36	348.61	5.19	-98.17
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C21	REAL300000492545	0	37	-2.0	-109.64	333.48	4.42	-105.22
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)C=C1C(=O)[O-]	REAL300000492546	0	40	-2.0	-98.55	355.31	5.03	-93.52
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C21	REAL300000492547	0	36	-2.0	-101.63	327.14	2.43	-99.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)C(=O)CO2	REAL300000492548	0	41	-2.0	-96.95	358.03	4.19	-92.76
CN1C(=O)COC2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C21	REAL300000492549	0	34	-2.0	-93.65	329.94	3.36	-90.29
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)C(=O)CO3)C=C(C(=O)[O-])O1	REAL300000492550	0	40	-2.0	-95.99	348.03	4.20	-91.79
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000492551	1	34	-2.0	-97.56	329.56	5.72	-91.84
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1F	REAL300000492552	1	34	-2.0	-88.18	325.00	5.70	-82.48
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000492553	1	34	-2.0	-99.48	325.02	5.69	-93.79
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1F	REAL300000492554	0	38	-2.0	-104.54	353.16	5.49	-99.05
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1F	REAL300000492555	1	38	-2.0	-88.22	356.48	6.99	-81.23
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000492556	1	37	-2.0	-101.78	345.09	6.34	-95.44
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1F	REAL300000492557	0	34	-2.0	-95.48	338.09	6.27	-89.21
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000492558	1	34	-2.0	-95.67	337.53	6.09	-89.58
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1F	REAL300000492559	1	40	-2.0	-102.71	357.70	7.05	-95.66
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000492560	0	34	-2.0	-96.50	330.49	5.76	-90.74
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000492561	1	40	-2.0	-87.25	368.59	7.28	-79.97
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000492562	0	31	-2.0	-94.22	318.20	4.71	-89.51
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1F	REAL300000492563	1	37	-2.0	-100.70	340.45	6.49	-94.21
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000492565	0	35	-2.0	-98.15	331.65	5.04	-93.11
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1F	REAL300000492567	0	34	-2.0	-90.58	334.14	5.38	-85.20
COC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000492569	0	31	-2.0	-95.63	316.67	4.73	-90.90
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1F	REAL300000492571	1	43	-2.0	-102.58	378.92	7.70	-94.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(=O)OC)=C1	REAL300000492572	1	40	-2.0	-99.36	355.16	7.42	-91.94
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=CC=C1F	REAL300000492573	0	41	-2.0	-104.85	375.45	6.25	-98.60
COC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000492574	0	37	-2.0	-110.05	355.90	6.26	-103.79
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000492574	1	36	-3.0	-172.43	353.43	6.26	-166.17
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1F	REAL300000492575	1	41	-2.0	-104.37	369.29	7.60	-96.77
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000492576	0	34	-2.0	-94.35	328.02	4.84	-89.51
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000492577	0	38	-2.0	-100.64	354.00	4.78	-95.86
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1F	REAL300000492579	1	37	-2.0	-91.74	345.73	6.51	-85.23
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000492581	1	34	-2.0	-97.44	333.62	5.58	-91.86
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1F	REAL300000492582	0	34	-2.0	-85.99	338.07	6.25	-79.74
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000492583	1	34	-2.0	-88.01	329.54	5.73	-82.28
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000492584	0	31	-2.0	-89.51	317.29	4.82	-84.69
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000492585	1	34	-2.0	-90.83	331.42	5.76	-85.07
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1F	REAL300000492586	0	37	-2.0	-97.90	350.79	6.40	-91.50
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000492587	0	34	-2.0	-87.26	330.48	5.76	-81.50
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300000492588	1	34	-2.0	-85.90	337.51	6.10	-79.80
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000492589	1	34	-2.0	-89.59	335.83	5.79	-83.80
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000492590	0	36	-2.0	-85.42	353.21	6.36	-79.06
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000492591	0	35	-2.0	-99.67	334.73	3.41	-96.26
COC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000492591	1	35	-2.0	-100.21	323.76	4.28	-95.93
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000492592	1	37	-2.0	-91.79	347.20	6.48	-85.31
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000492593	1	37	-2.0	-95.93	335.09	6.33	-89.60
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000492594	1	37	-2.0	-98.80	349.87	6.34	-92.46
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000492596	1	40	-2.0	-102.22	357.90	6.76	-95.46
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300000492597	0	36	-2.0	-99.04	351.58	6.78	-92.26
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1F	REAL300000492598	0	34	-2.0	-88.57	336.77	5.82	-82.75
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1F	REAL300000492600	0	37	-2.0	-98.68	350.33	6.39	-92.29
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000492601	0	37	-2.0	-103.94	350.05	6.38	-97.56
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000492602	1	40	-2.0	-101.03	359.26	6.88	-94.15
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000492604	0	38	-2.0	-99.33	353.04	5.90	-93.43
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1F	REAL300000492605	1	37	-2.0	-88.18	341.02	6.24	-81.94
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1F	REAL300000492607	0	36	-2.0	-106.50	348.74	7.54	-98.96
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000492608	0	34	-2.0	-103.30	328.68	5.73	-97.57
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000492609	1	37	-2.0	-92.47	349.95	6.37	-86.10
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000492610	0	33	-2.0	-96.66	322.00	3.75	-92.91
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1F	REAL300000492611	0	38	-2.0	-91.96	353.22	5.49	-86.47
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000492612	0	31	-2.0	-88.34	325.16	4.67	-83.67
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1F	REAL300000492613	1	41	-2.0	-93.54	369.00	7.52	-86.02
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1F	REAL300000492614	1	41	-2.0	-97.20	370.45	7.58	-89.62
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000492615	0	37	-2.0	-94.27	347.15	5.69	-88.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)=CC=C1F	REAL300000492616	1	34	-2.0	-104.05	334.39	6.82	-97.23
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)=C1	REAL300000492618	1	34	-2.0	-106.39	329.87	6.78	-99.61
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)=C1	REAL300000492620	0	34	-2.0	-100.37	335.30	6.84	-93.53
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)=C1	REAL300000492621	0	31	-2.0	-97.91	323.01	5.79	-92.12
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)C(F)(F)F)C=C1	REAL300000492622	1	37	-2.0	-108.05	345.29	7.57	-100.48
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000492623	1	35	-2.0	-104.71	336.50	6.13	-98.58
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)=C1	REAL300000492624	0	34	-2.0	-96.92	338.97	6.46	-90.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)=CS1	REAL300000492625	0	31	-2.0	-99.14	321.47	5.81	-93.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000492626	0	34	-2.0	-100.98	332.89	5.93	-95.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000492627	1	34	-2.0	-100.55	338.48	6.68	-93.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)C=C1F	REAL300000492628	1	34	-2.0	-93.55	334.39	6.83	-86.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)S1	REAL300000492629	0	31	-2.0	-95.80	322.11	5.91	-89.89
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)=C1	REAL300000492630	1	34	-2.0	-97.46	336.26	6.86	-90.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)C(F)=C1	REAL300000492631	0	34	-2.0	-93.34	335.32	6.86	-86.48
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)=C1	REAL300000492632	0	35	-2.0	-102.94	339.54	4.48	-98.46
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(F)C(F)(F)F)C=C2)=C1	REAL300000492632	1	35	-2.0	-102.76	338.78	5.30	-97.46
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)C=C1	REAL300000492633	1	37	-2.0	-97.98	352.02	7.56	-90.42
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)C(F)(F)F)C=C1	REAL300000492634	1	37	-2.0	-101.01	343.71	7.53	-93.48
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000492636	1	38	-2.0	-106.00	357.87	7.01	-98.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)=C1F	REAL300000492638	0	34	-2.0	-109.77	333.51	6.82	-102.95
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)=C1	REAL300000492639	0	33	-2.0	-104.10	326.06	4.91	-99.19
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)C(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000492640	0	37	-2.0	-100.98	351.98	6.79	-94.19
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000492641	0	41	-2.0	-117.59	380.40	8.31	-109.28
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000492642	0	41	-2.0	-107.41	375.85	8.29	-99.12
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000492643	0	41	-2.0	-121.13	375.87	8.28	-112.85
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000492644	0	45	-2.0	-106.72	407.32	9.58	-97.14
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000492645	0	44	-2.0	-123.64	395.94	8.93	-114.71
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000492646	0	47	-2.0	-124.41	408.97	9.61	-114.80
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000492647	0	41	-2.0	-118.85	381.35	8.34	-110.51
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000492648	0	47	-2.0	-106.31	419.44	9.87	-96.44
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000492649	0	38	-2.0	-114.92	369.06	7.31	-107.61
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000492650	0	44	-2.0	-122.46	391.30	9.06	-113.40
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000492651	0	42	-2.0	-119.24	382.51	7.63	-111.61
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000492652	0	41	-2.0	-110.55	384.99	7.97	-102.58
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000492653	0	47	-2.0	-123.84	407.31	9.60	-114.24
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000492654	0	38	-2.0	-115.95	367.52	7.30	-108.65
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CC=C2)C=C1C	REAL300000492655	0	47	-2.0	-120.46	406.01	10.00	-110.46
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000492656	0	41	-2.0	-114.57	378.87	7.43	-107.14
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000492657	0	41	-2.0	-118.24	385.56	8.16	-110.08
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000492658	0	41	-2.0	-106.59	380.39	8.32	-98.27
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000492659	0	38	-2.0	-109.24	368.12	7.41	-101.83
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000492660	0	41	-2.0	-111.06	382.26	8.35	-102.71
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000492661	0	41	-2.0	-106.87	381.33	8.35	-98.52
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000492662	0	42	-2.0	-121.37	385.58	6.01	-115.36
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000492663	0	44	-2.0	-111.73	398.04	9.07	-102.66
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000492664	0	44	-2.0	-116.06	385.94	8.92	-107.14
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000492665	0	44	-2.0	-107.58	391.28	9.05	-98.53
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000492666	0	47	-2.0	-125.25	412.66	9.45	-115.80
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000492667	0	47	-2.0	-120.29	410.34	9.66	-110.63
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=C3)C=C2C)C=C1C(=O)[O-]	REAL300000492668	0	47	-2.0	-122.56	410.10	9.47	-113.09
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=C3)C=C2C)C=C1C(=O)[O-]	REAL300000492669	0	45	-2.0	-120.18	403.89	8.50	-111.68
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000492670	0	44	-2.0	-107.63	391.88	8.83	-98.80
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000492671	0	41	-2.0	-124.05	379.51	8.31	-115.74
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000492672	0	40	-2.0	-118.93	372.09	6.40	-112.53
CC1=CN(CC2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000492673	0	38	-2.0	-107.99	375.97	7.24	-100.75
CCC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=C3)C=C2C)C=C(C(=O)[O-])O1	REAL300000492674	0	44	-2.0	-114.41	397.99	8.27	-106.14
CC(=O)C1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000492702	0	39	-2.0	-108.32	360.27	7.34	-100.98
CC(=O)C1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000492727	0	37	-2.0	-105.02	323.93	5.43	-99.59
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1	REAL300000492762	0	31	-2.0	-90.66	310.53	2.11	-88.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC=C1F	REAL300000492763	0	24	-2.0	-106.36	258.61	3.56	-102.80
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NSC=C1	REAL300000492764	0	32	-2.0	-108.54	313.69	4.64	-103.90
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492765	0	24	-2.0	-104.39	270.49	4.25	-100.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NSC=C1	REAL300000492766	0	28	-2.0	-115.16	282.21	3.34	-111.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC=C1Br	REAL300000492767	0	24	-2.0	-104.18	270.32	4.02	-100.16
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1	REAL300000492768	0	28	-2.0	-96.28	285.52	4.82	-91.46
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492769	0	24	-2.0	-105.04	267.14	4.11	-100.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC=C1Cl	REAL300000492770	0	24	-2.0	-104.66	266.59	3.92	-100.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=C(Cl)C=C1Cl	REAL300000492771	0	24	-2.0	-100.50	279.63	4.49	-96.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NSC=C2)=C1C	REAL300000492772	0	30	-2.0	-112.46	287.17	4.86	-107.60
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492773	0	24	-2.0	-106.56	259.55	3.59	-102.97
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1	REAL300000492774	0	30	-2.0	-95.96	297.65	5.12	-90.84
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1	REAL300000492775	0	28	-2.0	-94.95	285.14	3.81	-91.14
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=NSC=C3)C=C2)C1	REAL300000492776	0	35	-2.0	-91.81	330.91	4.58	-87.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=C(Br)S1	REAL300000492777	0	21	-2.0	-100.38	264.25	3.30	-97.08
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NSC=C1	REAL300000492778	0	28	-2.0	-111.14	278.28	2.35	-108.79
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=NSC=C2)=C1F	REAL300000492779	0	24	-2.0	-104.08	278.99	4.17	-99.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492780	0	24	-2.0	-99.02	263.19	3.21	-95.81
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1C(=O)[O-]	REAL300000492781	0	30	-2.0	-111.94	285.53	4.85	-107.09
COC1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC(C(=O)[O-])=C1OC	REAL300000492782	0	32	-2.0	-109.16	312.40	3.34	-105.82
COC1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1C(=O)[O-]	REAL300000492783	0	28	-2.0	-114.80	281.36	3.59	-111.21
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492784	0	34	-2.0	-114.48	309.31	6.17	-108.31
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NSC=C1	REAL300000492785	0	33	-2.0	-112.97	307.97	5.54	-107.43
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NSC=C1	REAL300000492786	0	30	-2.0	-109.36	284.21	5.28	-104.08
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NSC=C1	REAL300000492787	0	31	-2.0	-115.12	304.50	4.10	-111.02
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492788	0	26	-3.0	-182.40	282.47	4.09	-178.31
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492789	0	31	-2.0	-114.71	298.32	5.42	-109.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC2=C1OCCO2	REAL300000492790	0	30	-2.0	-113.62	296.23	3.30	-110.32
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492791	0	28	-2.0	-109.83	283.05	2.62	-107.21
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NSC=C3)C=C2C1	REAL300000492792	0	32	-2.0	-96.54	307.71	4.15	-92.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC(Cl)=C1Cl	REAL300000492793	0	24	-2.0	-98.38	281.74	4.38	-94.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=C(Cl)C=C1F	REAL300000492794	0	24	-2.0	-101.70	271.66	4.13	-97.57
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1Cl	REAL300000492795	0	28	-2.0	-93.47	301.18	4.35	-89.12
CC1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC=C1OCC(=O)[O-]	REAL300000492796	0	31	-2.0	-95.63	305.23	4.52	-91.11
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1F	REAL300000492797	0	34	-2.0	-94.70	333.82	4.78	-89.92
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NSC=C1	REAL300000492798	0	27	-2.0	-101.09	274.79	4.35	-96.74
CC1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC=C1OCCCC(=O)[O-]	REAL300000492799	0	37	-2.0	-96.01	347.68	5.45	-90.56
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1F	REAL300000492800	0	28	-2.0	-94.43	291.37	3.87	-90.56
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1Cl	REAL300000492801	0	34	-2.0	-94.35	343.62	5.26	-89.09
CCOC1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1C(=O)[O-]	REAL300000492802	0	31	-2.0	-115.54	303.22	4.50	-111.04
CC1=C(S(=O)(=O)[N-]C2=NSC=C2)C=C(C(=O)[O-])S1	REAL300000492803	0	24	-2.0	-106.90	262.69	3.43	-103.47
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492804	0	24	-2.0	-98.65	282.30	4.55	-94.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C(Cl)=C1	REAL300000492805	0	24	-2.0	-93.78	267.12	4.10	-89.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C(Br)=C1	REAL300000492806	0	24	-2.0	-93.29	270.47	4.24	-89.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1F	REAL300000492807	0	24	-2.0	-95.74	258.61	3.57	-92.17
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492808	0	24	-2.0	-99.66	260.47	3.59	-96.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NSC=C2)=C1F	REAL300000492809	0	27	-2.0	-108.16	279.83	4.23	-103.93
COC1=CC(S(=O)(=O)[N-]C2=NSC=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000492810	0	28	-2.0	-98.49	294.38	4.16	-94.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C(F)=C1	REAL300000492811	0	24	-2.0	-95.47	259.53	3.60	-91.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1Cl	REAL300000492812	0	24	-2.0	-93.82	266.57	3.93	-89.89
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NSC=C1	REAL300000492813	0	27	-2.0	-102.89	283.53	4.74	-98.15
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]C1=NSC=C1	REAL300000492814	0	27	-2.0	-98.45	284.90	4.82	-93.63
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1	REAL300000492815	0	32	-2.0	-93.48	317.80	4.94	-88.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1Br	REAL300000492816	0	24	-2.0	-93.41	270.31	4.03	-89.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC(F)=C1F	REAL300000492817	0	24	-2.0	-97.82	264.89	3.62	-94.20
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492818	0	26	-2.0	-94.02	282.26	4.20	-89.82
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492819	0	25	-2.0	-109.88	263.78	1.24	-108.64
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1C(=O)[O-]	REAL300000492820	0	27	-2.0	-102.79	287.95	4.59	-98.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC(Cl)=C1F	REAL300000492821	0	24	-2.0	-99.31	274.78	4.06	-95.25
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NSC=C1	REAL300000492822	0	27	-2.0	-103.41	287.56	4.83	-98.58
CC1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC(C(=O)[O-])=C1F	REAL300000492823	0	27	-2.0	-107.78	278.90	4.18	-103.60
CC1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC(C(=O)[O-])=C1C	REAL300000492824	0	30	-2.0	-111.88	287.53	4.61	-107.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC=C1[N+](=O)[O-]	REAL300000492825	0	26	-2.0	-107.27	280.62	4.62	-102.65
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492826	0	24	-2.0	-97.95	265.80	3.65	-94.30
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=NSC=C2)S1	REAL300000492827	0	21	-2.0	-95.62	266.65	3.21	-92.41
CC1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C(C)=C1C(=O)[O-]	REAL300000492828	0	30	-2.0	-108.61	288.55	4.92	-103.69
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1C(=O)[O-]	REAL300000492829	0	27	-2.0	-107.90	275.55	4.13	-103.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NSC=C2)=C1Cl	REAL300000492830	0	27	-2.0	-106.93	285.83	4.67	-102.26
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492831	0	27	-2.0	-113.05	279.08	4.22	-108.83
COC1=CC(Br)=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1C(=O)[O-]	REAL300000492832	0	28	-2.0	-110.24	297.74	4.31	-105.93
CCC1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1C(=O)[O-]	REAL300000492833	0	30	-2.0	-110.79	288.30	4.71	-106.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=C(Br)C=C1F	REAL300000492834	0	24	-2.0	-101.21	275.01	4.26	-96.95
COC1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1CC(=O)[O-]	REAL300000492835	0	31	-2.0	-111.24	304.54	3.66	-107.58
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NSC=C1	REAL300000492836	0	27	-2.0	-98.03	280.33	4.72	-93.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1C(F)(F)F	REAL300000492837	0	27	-2.0	-93.10	284.18	4.34	-88.76
CC1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC(C(=O)[O-])=C1Cl	REAL300000492838	0	27	-2.0	-106.58	285.29	4.48	-102.10
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492839	0	24	-2.0	-101.54	275.36	4.14	-97.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NSC=C2)=C1Br	REAL300000492840	0	27	-2.0	-106.57	288.64	4.81	-101.76
CCN1C=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1C(=O)[O-]	REAL300000492841	0	28	-2.0	-108.61	282.10	3.75	-104.86
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NSC=C2)C(C)=C1CC(=O)[O-]	REAL300000492842	0	36	-2.0	-108.69	319.22	6.40	-102.29
O=C([O-])C1=CC(F)=C(Br)C(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492843	0	24	-2.0	-96.68	276.18	4.29	-92.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC(Br)=C1Cl	REAL300000492844	0	24	-2.0	-98.80	285.95	4.48	-94.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=C(F)C(Cl)=C1F	REAL300000492845	0	24	-2.0	-96.77	279.67	4.08	-92.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C(OC(F)(F)F)=C1	REAL300000492846	0	28	-2.0	-95.43	298.77	3.83	-91.60
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1C(=O)[O-]	REAL300000492847	0	27	-2.0	-102.29	283.93	4.49	-97.80
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=NSC=C2)C=C(C(=O)[O-])S1	REAL300000492848	0	33	-2.0	-106.84	303.50	5.64	-101.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=C(Br)C=C1Cl	REAL300000492849	0	24	-2.0	-100.00	282.99	4.63	-95.37
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1C(=O)[O-]	REAL300000492850	0	28	-2.0	-110.73	294.39	4.16	-106.57
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=NSC=C2)C(C)=C1C(=O)[O-]	REAL300000492851	0	30	-2.0	-102.08	306.51	5.45	-96.63
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NSC=C2)C([N+](=O)[O-])=C1	REAL300000492852	0	29	-2.0	-100.94	297.33	5.74	-95.20
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NSC=C1	REAL300000492853	0	27	-2.0	-108.19	274.02	4.35	-103.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NSC=C2)=C1[N+](=O)[O-]	REAL300000492854	0	26	-2.0	-115.42	277.81	5.39	-110.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NSC=C2)=C1F	REAL300000492855	0	24	-2.0	-112.20	257.71	3.55	-108.65
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NSC=C2)C=C1C(=O)[O-]	REAL300000492856	0	27	-2.0	-100.57	275.23	4.10	-96.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC2=CC=CC=C21	REAL300000492857	0	30	-2.0	-117.21	295.11	5.66	-111.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NSC=C1	REAL300000492858	0	28	-2.0	-100.75	282.27	3.33	-97.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=C(Cl)O1	REAL300000492859	0	21	-2.0	-96.66	254.17	2.51	-94.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NSC=C2)=CC=C1OC(F)(F)F	REAL300000492860	0	28	-2.0	-104.02	297.86	4.08	-99.94
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NSC=C2)=C1	REAL300000492861	0	27	-2.0	-99.75	297.41	0.57	-99.18
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NSC=C3)C=C2)CC1	REAL300000492862	0	31	-2.0	-102.57	298.66	5.37	-97.20
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NSC=C3)C=C2C1	REAL300000492863	0	31	-2.0	-106.02	299.51	5.41	-100.61
CCC1=C(S(=O)(=O)[N-]C2=NSC=C2)C=C(C(=O)[O-])O1	REAL300000492864	0	27	-2.0	-103.32	276.19	3.53	-99.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CC4CCC(C3)O4)N=C2)C=C1	REAL300000492865	0	43	-2.0	-91.61	366.17	4.99	-86.62
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(N3CC4CCC(C3)O4)N=C2)=C1	REAL300000492866	0	43	-2.0	-103.59	366.19	4.98	-98.61
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN=C(N3CC4CCC(C3)O4)N=C2)=C1	REAL300000492867	0	40	-2.0	-97.80	359.35	4.00	-93.80
CN1C=C(S(=O)(=O)[N-]C2=CN=C(N3CC4CCC(C3)O4)N=C2)C=C1C(=O)[O-]	REAL300000492868	0	44	-2.0	-101.82	372.81	4.34	-97.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(N3CC4CCC(C3)O4)N=C2)=CS1	REAL300000492869	0	40	-2.0	-99.33	357.84	4.00	-95.33
CC1=C(S(=O)(=O)[N-]C2=CN=C(N3CC4CCC(C3)O4)N=C2)C=C(C(=O)[O-])O1	REAL300000492870	0	43	-2.0	-98.10	369.20	4.12	-93.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CC4CCC(C3)O4)N=C2)S1	REAL300000492871	0	40	-2.0	-93.00	358.46	4.11	-88.89
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=C(N3CC4CCC(C3)O4)N=C2)=C1	REAL300000492872	0	42	-2.0	-100.89	362.41	3.10	-97.79
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1C1CC1	REAL300000492873	1	43	-2.0	-82.73	390.11	5.92	-76.81
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C1CC1	REAL300000492874	1	36	-2.0	-98.59	338.18	7.37	-91.22
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C(C#N)=C1	REAL300000492875	0	44	-2.0	-99.06	393.27	8.43	-90.63
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1C1CC1	REAL300000492876	1	36	-2.0	-89.23	333.63	7.34	-81.89
N#CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C1CC1	REAL300000492877	1	36	-2.0	-100.81	333.65	7.33	-93.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C(C#N)=C1	REAL300000492878	0	40	-2.0	-105.64	361.79	7.13	-98.51
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1C1CC1	REAL300000492879	1	40	-2.0	-88.66	365.10	8.63	-80.03
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1C1CC1	REAL300000492881	0	36	-2.0	-96.30	346.72	7.91	-88.39
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C1CC1	REAL300000492882	1	36	-2.0	-96.82	346.15	7.73	-89.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)=C1C	REAL300000492883	1	42	-2.0	-103.46	366.33	8.68	-94.78
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C1CC1	REAL300000492884	0	36	-2.0	-97.66	339.13	7.40	-90.26
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C1CC1	REAL300000492885	1	42	-2.0	-87.63	377.21	8.93	-78.70
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C1CC1	REAL300000492886	0	33	-2.0	-95.49	326.83	6.35	-89.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C(C#N)=C1	REAL300000492887	1	39	-2.0	-101.37	349.09	8.12	-93.25
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000492889	1	37	-2.0	-99.42	340.29	6.69	-92.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)=C1	REAL300000492891	0	36	-2.0	-91.77	342.78	7.02	-84.75
N#CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C1CC1	REAL300000492893	0	33	-2.0	-96.79	325.30	6.37	-90.42
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1C1CC1	REAL300000492895	1	46	-2.0	-104.96	388.89	9.95	-95.01
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C(C#N)=C1	REAL300000492896	1	45	-2.0	-103.28	387.58	9.34	-93.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C(C#N)=C1	REAL300000492897	1	42	-2.0	-99.80	363.82	9.06	-90.74
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C(C#N)=C1	REAL300000492898	0	43	-2.0	-106.35	384.06	7.90	-98.45
N#CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C1CC1	REAL300000492899	0	39	-2.0	-113.96	368.76	7.77	-106.19
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C1CC1	REAL300000492899	1	38	-3.0	-175.65	362.06	7.90	-167.75
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1C1CC1	REAL300000492900	1	43	-2.0	-105.32	377.92	9.23	-96.09
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000492901	0	36	-2.0	-95.16	336.65	6.47	-88.69
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)=C1	REAL300000492902	0	40	-2.0	-102.19	362.62	6.43	-95.76
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1C1CC1	REAL300000492904	0	36	-2.0	-93.35	351.25	7.92	-85.43
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C(C#N)=C1	REAL300000492906	1	39	-2.0	-92.41	354.36	8.15	-84.26
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1C1CC1	REAL300000492907	1	40	-2.0	-87.07	370.94	7.68	-79.39
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)C=C(C(=O)[O-])S1	REAL300000492909	1	36	-2.0	-98.19	342.23	7.23	-90.96
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C1CC1	REAL300000492910	0	36	-2.0	-86.89	346.70	7.90	-78.99
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C1CC1	REAL300000492911	1	36	-2.0	-88.89	338.17	7.37	-81.52
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C1CC1	REAL300000492912	0	33	-2.0	-90.74	325.91	6.47	-84.27
N#CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C1CC1	REAL300000492913	1	36	-2.0	-91.95	340.06	7.40	-84.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)=C1F	REAL300000492914	0	39	-2.0	-98.93	359.41	8.04	-90.89
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C1CC1	REAL300000492915	0	36	-2.0	-88.47	339.11	7.41	-81.06
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C1CC1	REAL300000492916	1	36	-2.0	-86.86	346.14	7.74	-79.12
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C(C#N)=C1	REAL300000492917	1	39	-2.0	-94.02	363.10	8.54	-85.48
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1C1CC1	REAL300000492918	1	44	-2.0	-85.48	397.39	8.75	-76.73
N#CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1C1CC1	REAL300000492919	1	36	-2.0	-90.53	344.46	7.43	-83.10
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C1CC1	REAL300000492920	0	38	-2.0	-86.39	361.84	8.00	-78.39
N#CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C1CC1	REAL300000492921	0	37	-2.0	-100.24	332.38	5.93	-94.31
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C1CC1	REAL300000492921	1	37	-2.0	-100.28	343.37	5.05	-95.23
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C1CC1	REAL300000492922	1	39	-2.0	-91.90	355.82	8.12	-83.78
N#CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1C1CC1	REAL300000492923	1	36	-2.0	-91.83	354.35	7.87	-83.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C(C#N)=C1	REAL300000492924	1	39	-2.0	-97.48	343.73	7.97	-89.51
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)=CC(C(=O)[O-])=C1F	REAL300000492925	1	39	-2.0	-99.94	358.49	7.99	-91.95
N#CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1C1CC1	REAL300000492928	0	38	-2.0	-99.87	360.21	8.42	-91.45
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1C1CC1	REAL300000492929	0	36	-2.0	-89.65	345.41	7.46	-82.19
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000492931	0	39	-2.0	-99.89	358.99	8.03	-91.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)=C1Cl	REAL300000492932	0	39	-2.0	-97.94	365.40	8.48	-89.46
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)=C1	REAL300000492933	0	39	-2.0	-105.84	358.71	8.02	-97.82
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000492934	1	42	-2.0	-102.40	367.89	8.52	-93.88
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C(C#N)=C1	REAL300000492936	1	39	-2.0	-90.86	359.93	8.51	-82.35
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000492937	1	39	-2.0	-98.57	364.87	8.29	-90.28
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000492938	0	40	-2.0	-100.58	361.66	7.55	-93.03
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000492940	1	39	-2.0	-95.43	367.40	8.40	-87.03
N#CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1C1CC1	REAL300000492943	0	38	-2.0	-108.29	357.38	9.18	-99.11
N#CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C1CC1	REAL300000492944	0	36	-2.0	-105.17	337.31	7.37	-97.80
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000492945	1	39	-2.0	-93.68	358.61	8.01	-85.67
N#CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C1CC1	REAL300000492946	1	42	-2.0	-108.77	374.69	9.45	-99.32
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C1CC1	REAL300000492947	0	35	-2.0	-97.50	330.63	5.39	-92.11
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C(C#N)=C1	REAL300000492948	0	40	-2.0	-93.13	361.85	7.13	-86.00
N#CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1C1CC1	REAL300000492949	0	33	-2.0	-89.23	333.79	6.31	-82.92
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C1CC1	REAL300000492950	1	43	-2.0	-95.16	379.78	9.22	-85.94
N#CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C1CC1	REAL300000492951	1	43	-2.0	-98.90	379.09	9.22	-89.68
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000492952	0	39	-2.0	-94.98	355.77	7.32	-87.66
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000492953	1	40	-2.0	-106.53	368.57	7.29	-99.24
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000492955	1	40	-2.0	-110.02	364.03	7.26	-102.76
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000492956	0	44	-2.0	-115.41	392.17	7.05	-108.36
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000492957	1	44	-2.0	-96.49	395.50	8.55	-87.94
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000492959	0	40	-2.0	-105.35	377.10	7.83	-97.52
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000492960	1	40	-2.0	-104.96	376.55	7.65	-97.31
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000492961	1	46	-2.0	-112.96	396.71	8.60	-104.36
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000492962	0	40	-2.0	-106.96	369.51	7.32	-99.64
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000492963	1	46	-2.0	-95.83	407.61	8.84	-86.99
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000492964	0	37	-2.0	-104.18	357.21	6.27	-97.91
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000492965	1	43	-2.0	-110.78	379.46	8.04	-102.74
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000492967	1	41	-2.0	-108.36	370.68	6.60	-101.76
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000492969	0	40	-2.0	-99.84	373.14	6.93	-92.91
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000492971	0	37	-2.0	-105.59	355.68	6.29	-99.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)OC)=C1	REAL300000492973	1	46	-2.0	-109.07	394.17	8.97	-100.10
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000492974	0	40	-2.0	-103.79	367.04	6.39	-97.40
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000492975	0	44	-2.0	-110.16	393.01	6.35	-103.81
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000492976	1	43	-2.0	-101.23	384.74	8.07	-93.16
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000492977	1	40	-2.0	-107.22	372.63	7.15	-100.07
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000492978	0	40	-2.0	-94.48	377.08	7.82	-86.66
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000492979	1	40	-2.0	-96.64	368.55	7.30	-89.34
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000492980	0	37	-2.0	-98.65	356.30	6.39	-92.26
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000492981	1	40	-2.0	-100.71	370.44	7.31	-93.40
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000492982	0	43	-2.0	-108.42	389.79	7.95	-100.47
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000492983	0	40	-2.0	-96.38	369.49	7.33	-89.05
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000492984	1	40	-2.0	-94.72	376.52	7.66	-87.06
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000492985	1	40	-2.0	-98.88	374.86	7.35	-91.53
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000492986	0	41	-2.0	-109.55	373.74	4.96	-104.59
COC(=O)CCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000492986	1	41	-2.0	-109.06	372.83	5.84	-103.22
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000492987	1	43	-2.0	-100.47	386.21	8.03	-92.44
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000492988	1	43	-2.0	-105.35	374.09	7.89	-97.46
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000492989	1	43	-2.0	-108.85	388.88	7.91	-100.94
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000492992	0	40	-2.0	-98.52	375.79	7.38	-91.14
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000492994	0	43	-2.0	-109.28	389.35	7.94	-101.34
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000492995	0	43	-2.0	-114.03	389.06	7.95	-106.08
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000492996	1	46	-2.0	-110.97	398.31	8.44	-102.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000492997	1	44	-2.0	-108.93	392.04	7.47	-101.46
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000493000	0	40	-2.0	-113.24	367.69	7.29	-105.95
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000493001	1	43	-2.0	-100.77	385.21	7.82	-92.95
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000493002	0	39	-2.0	-107.55	360.25	5.39	-102.16
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000493003	0	44	-2.0	-101.39	392.22	7.06	-94.33
COC(=O)CCC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000493004	0	37	-2.0	-97.42	364.18	6.25	-91.17
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000493005	0	43	-2.0	-103.62	386.16	7.24	-96.38
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1O	REAL300000493006	0	36	-2.0	-112.91	341.90	1.78	-111.13
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1O	REAL300000493007	0	36	-2.0	-103.04	337.36	1.76	-101.28
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1O	REAL300000493008	0	36	-2.0	-115.21	337.37	1.75	-113.46
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C)C(O)=C1	REAL300000493009	0	40	-2.0	-118.69	365.51	1.57	-117.12
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1O	REAL300000493010	0	40	-2.0	-102.09	368.83	3.05	-99.04
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1O	REAL300000493011	0	39	-2.0	-116.35	353.41	2.29	-114.06
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1O	REAL300000493012	0	42	-2.0	-115.78	369.77	3.05	-112.73
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1O	REAL300000493013	0	36	-2.0	-110.81	342.85	1.82	-108.99
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1O	REAL300000493014	0	42	-2.0	-100.95	380.94	3.35	-97.60
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1O	REAL300000493015	0	33	-2.0	-109.54	330.56	0.78	-108.76
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1O	REAL300000493016	0	39	-2.0	-113.95	352.80	2.52	-111.43
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1O	REAL300000493017	0	40	-2.0	-100.95	368.45	2.04	-98.91
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1O	REAL300000493018	0	37	-2.0	-113.97	344.03	1.11	-112.86
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1O	REAL300000493019	0	40	-2.0	-114.45	361.16	0.51	-113.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C(O)=C2)=C1	REAL300000493020	0	36	-2.0	-105.49	346.49	1.44	-104.05
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1O	REAL300000493021	0	42	-2.0	-115.39	368.44	3.01	-112.38
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1O	REAL300000493022	0	33	-2.0	-110.71	329.02	0.79	-109.92
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C(O)=C2)C=C1C(=O)[O-]	REAL300000493023	0	40	-2.0	-120.80	364.66	1.82	-118.98
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1O	REAL300000493024	0	45	-2.0	-115.97	391.27	3.73	-112.24
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C)C(O)=C1	REAL300000493025	0	42	-2.0	-111.61	367.52	3.28	-108.33
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C)C(O)=C1	REAL300000493026	0	43	-2.0	-121.12	387.80	2.33	-118.79
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1O	REAL300000493027	0	38	-3.0	-191.43	365.79	2.32	-189.11
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1O	REAL300000493028	0	43	-2.0	-118.12	381.62	3.64	-114.48
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C(O)=C2)C=C(C(=O)[O-])O1	REAL300000493029	0	36	-2.0	-107.88	340.38	0.90	-106.98
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C(O)=C2)=C1	REAL300000493030	0	40	-2.0	-118.42	366.27	0.86	-117.56
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1O	REAL300000493031	0	43	-2.0	-101.37	388.53	2.75	-98.62
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1O	REAL300000493032	0	39	-2.0	-105.13	358.08	2.56	-102.57
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1O	REAL300000493033	0	40	-2.0	-100.58	374.66	2.10	-98.48
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C(O)=C2)C=C1C(=O)[O-]	REAL300000493034	0	43	-2.0	-121.44	386.51	2.72	-118.72
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C(O)=C2)C=C(C(=O)[O-])S1	REAL300000493035	0	36	-2.0	-110.67	347.07	1.62	-109.05
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1O	REAL300000493036	0	36	-2.0	-100.66	350.42	2.31	-98.35
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1O	REAL300000493037	0	36	-2.0	-102.76	341.90	1.80	-100.96
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1O	REAL300000493038	0	33	-2.0	-104.41	329.64	0.89	-103.52
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1O	REAL300000493039	0	36	-2.0	-106.20	343.78	1.82	-104.38
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1O	REAL300000493040	0	39	-2.0	-112.21	363.13	2.46	-109.75
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1O	REAL300000493041	0	36	-2.0	-102.52	342.86	1.83	-100.69
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1O	REAL300000493042	0	36	-2.0	-100.69	349.87	2.16	-98.53
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1O	REAL300000493043	0	39	-2.0	-106.64	366.81	2.94	-103.70
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1O	REAL300000493044	0	38	-2.0	-100.16	365.57	2.43	-97.73
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1O	REAL300000493045	0	37	-2.0	-111.89	347.09	-0.52	-112.41
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1O	REAL300000493045	1	36	-3.0	-212.10	343.52	0.36	-211.74
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1O	REAL300000493046	0	39	-2.0	-104.95	359.54	2.54	-102.41
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1O	REAL300000493047	0	39	-2.0	-112.84	347.44	2.38	-110.46
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1O	REAL300000493048	0	39	-2.0	-114.29	362.21	2.41	-111.88
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1O	REAL300000493049	0	39	-2.0	-102.87	352.78	2.51	-100.36
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1O	REAL300000493050	0	42	-2.0	-119.42	374.17	2.92	-116.50
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1O	REAL300000493051	0	38	-2.0	-114.06	363.95	2.85	-111.21
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1O	REAL300000493052	0	36	-2.0	-103.05	349.13	1.88	-101.17
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1O	REAL300000493053	0	42	-2.0	-117.17	371.85	3.13	-114.04
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1O	REAL300000493054	0	39	-2.0	-111.88	358.85	2.36	-109.52
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1O	REAL300000493055	0	39	-2.0	-110.94	369.13	2.88	-108.06
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C(O)=C2)=C1	REAL300000493056	0	39	-2.0	-121.51	362.38	2.45	-119.06
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C(O)=C2)C=C1C(=O)[O-]	REAL300000493057	0	42	-2.0	-117.07	371.31	2.94	-114.13
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C(O)=C2)C=C1CC(=O)[O-]	REAL300000493058	0	43	-2.0	-114.96	387.84	1.88	-113.08
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1O	REAL300000493059	0	39	-2.0	-105.62	363.64	2.87	-102.75
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1O	REAL300000493060	0	39	-2.0	-112.96	368.60	2.71	-110.25
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C(O)=C2)C=C1C(=O)[O-]	REAL300000493061	0	40	-2.0	-115.27	365.38	1.97	-113.30
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1O	REAL300000493062	0	39	-2.0	-109.62	371.12	2.82	-106.80
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1O	REAL300000493063	0	39	-2.0	-103.07	353.38	2.30	-100.77
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1O	REAL300000493064	0	39	-2.0	-111.51	357.32	2.56	-108.95
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1O	REAL300000493065	0	38	-2.0	-123.79	361.12	3.61	-120.18
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1O	REAL300000493066	0	36	-2.0	-120.75	340.99	1.78	-118.97
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1O	REAL300000493067	0	39	-2.0	-107.87	362.32	2.43	-105.44
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1O	REAL300000493068	0	35	-2.0	-112.70	333.59	-0.11	-112.81
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CC=C(C)C(O)=C1	REAL300000493069	0	40	-2.0	-107.00	365.58	1.57	-105.43
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1O	REAL300000493070	0	33	-2.0	-102.44	337.52	0.74	-101.70
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1O	REAL300000493071	0	43	-2.0	-108.46	383.50	3.64	-104.82
CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1O	REAL300000493072	0	43	-2.0	-115.13	382.81	3.64	-111.49
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=C(C)C(O)=C2)C=C(C(=O)[O-])O1	REAL300000493073	0	39	-2.0	-107.35	359.53	1.68	-105.67
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1	REAL300000493074	0	36	-3.0	-196.28	352.70	-1.18	-197.46
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC=C1F	REAL300000493075	0	29	-3.0	-218.64	300.78	0.26	-218.38
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CN=N1	REAL300000493076	0	37	-3.0	-218.40	355.87	1.34	-217.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1	REAL300000493077	0	29	-3.0	-205.53	296.23	0.24	-205.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493078	0	29	-3.0	-224.30	296.25	0.23	-224.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CN=N1	REAL300000493079	0	33	-3.0	-229.78	324.39	0.04	-229.74
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1	REAL300000493080	0	33	-3.0	-203.42	327.70	1.52	-201.90
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1C(=O)[O-]	REAL300000493081	0	32	-3.0	-227.02	312.29	0.77	-226.25
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493082	0	29	-3.0	-215.99	309.32	0.78	-215.21
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC=C1Cl	REAL300000493083	0	29	-3.0	-218.36	308.75	0.62	-217.74
O=C([O-])C1=C(Cl)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493084	0	29	-3.0	-210.00	321.81	1.15	-208.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1C	REAL300000493085	0	35	-3.0	-224.53	328.92	1.49	-223.04
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493086	0	29	-3.0	-220.42	301.72	0.29	-220.13
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1	REAL300000493087	0	35	-3.0	-203.52	339.81	1.82	-201.70
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CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CN=N1	REAL300000493089	0	32	-3.0	-221.76	311.68	0.99	-220.77
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CN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1C(=O)[O-]	REAL300000493091	0	30	-3.0	-221.71	302.90	-0.43	-222.14
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CN=N1	REAL300000493092	0	33	-3.0	-221.59	320.45	-0.98	-222.57
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493093	0	29	-3.0	-209.92	305.36	-0.09	-210.01
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1C(=O)[O-]	REAL300000493094	0	35	-3.0	-224.48	327.32	1.50	-222.98
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COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC(C(=O)[O-])=C1OC	REAL300000493096	0	37	-3.0	-223.06	354.58	0.04	-223.02
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1C(=O)[O-]	REAL300000493097	0	33	-3.0	-230.32	323.54	0.30	-230.02
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493098	0	39	-3.0	-229.16	351.48	2.76	-226.40
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CN=N1	REAL300000493099	0	38	-3.0	-226.11	350.15	2.19	-223.92
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CN=N1	REAL300000493100	0	35	-3.0	-217.61	326.42	1.73	-215.88
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CN=N1	REAL300000493101	0	36	-3.0	-229.36	346.68	0.80	-228.56
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC(C(=O)[O-])=C1	REAL300000493102	0	31	-4.0	-318.34	324.66	0.78	-317.56
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493103	0	36	-3.0	-229.46	340.50	2.10	-227.36
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C(C(=O)[O-])O1	REAL300000493104	0	29	-3.0	-210.83	299.26	-0.63	-211.46
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC2=C1OCCO2	REAL300000493105	0	35	-3.0	-229.88	338.43	0.00	-229.88
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493106	0	33	-3.0	-229.51	325.15	-0.67	-230.18
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=CC=CN=N3)C=C2C1	REAL300000493107	0	37	-3.0	-205.53	349.17	0.83	-204.70
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC(Cl)=C1Cl	REAL300000493108	0	29	-3.0	-210.52	323.93	1.08	-209.44
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493109	0	29	-3.0	-209.74	313.84	0.80	-208.94
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1Cl	REAL300000493110	0	33	-3.0	-199.34	343.35	1.05	-198.29
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC=C1OCC(=O)[O-]	REAL300000493111	0	36	-3.0	-203.28	347.40	1.22	-202.06
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1F	REAL300000493112	0	39	-3.0	-197.82	376.00	1.48	-196.34
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CN=N1	REAL300000493113	0	32	-3.0	-209.96	316.96	1.02	-208.94
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC=C1OCCCC(=O)[O-]	REAL300000493114	0	42	-3.0	-201.92	389.84	2.15	-199.77
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1F	REAL300000493115	0	33	-3.0	-199.67	333.54	0.58	-199.09
CCOC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1C(=O)[O-]	REAL300000493116	0	36	-3.0	-231.21	345.38	1.20	-230.01
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C(C(=O)[O-])S1	REAL300000493117	0	29	-3.0	-215.93	304.88	0.12	-215.81
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493118	0	29	-3.0	-208.35	324.47	1.23	-207.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C(Cl)=C1	REAL300000493119	0	29	-3.0	-201.95	309.29	0.77	-201.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1F	REAL300000493120	0	29	-3.0	-203.17	300.77	0.27	-202.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)S1	REAL300000493121	0	26	-3.0	-207.85	288.52	-0.64	-208.49
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493122	0	29	-3.0	-212.40	302.65	0.30	-212.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1F	REAL300000493123	0	32	-3.0	-222.94	322.01	0.93	-222.01
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C(Cl)C=C1C(=O)[O-]	REAL300000493124	0	33	-3.0	-206.53	336.56	0.83	-205.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C(F)=C1	REAL300000493125	0	29	-3.0	-206.41	301.73	0.30	-206.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1Cl	REAL300000493126	0	29	-3.0	-202.25	308.75	0.63	-201.62
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CN=N1	REAL300000493127	0	32	-3.0	-212.15	325.69	1.41	-210.74
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1	REAL300000493128	0	37	-3.0	-198.74	359.99	1.64	-197.10
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC(F)=C1F	REAL300000493129	0	29	-3.0	-207.59	307.08	0.32	-207.27
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493130	0	31	-3.0	-205.05	324.44	0.90	-204.15
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493131	0	30	-3.0	-219.21	305.96	-2.04	-221.25
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1	REAL300000493132	0	32	-3.0	-210.45	318.42	1.01	-209.44
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC(Cl)=C1F	REAL300000493133	0	29	-3.0	-209.95	316.97	0.76	-209.19
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CN=N1	REAL300000493134	0	32	-3.0	-221.90	305.79	0.82	-221.08
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC(C(=O)[O-])=C1F	REAL300000493135	0	32	-3.0	-221.05	321.10	0.88	-220.17
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CN=N1	REAL300000493136	0	32	-3.0	-204.61	311.67	0.98	-203.63
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC(C(=O)[O-])=C1C	REAL300000493137	0	35	-3.0	-231.49	333.05	1.40	-230.09
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC=C1[N+](=O)[O-]	REAL300000493138	0	31	-3.0	-216.08	322.82	1.32	-214.76
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493139	0	29	-3.0	-210.16	308.00	0.36	-209.80
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C(C)=C1C(=O)[O-]	REAL300000493140	0	35	-3.0	-226.68	330.71	1.59	-225.09
CC1=CC(F)=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1C(=O)[O-]	REAL300000493141	0	32	-3.0	-222.91	317.72	0.83	-222.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1Cl	REAL300000493142	0	32	-3.0	-218.97	328.01	1.34	-217.63
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493143	0	32	-3.0	-233.54	321.28	0.92	-232.62
CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1C(=O)[O-]	REAL300000493144	0	35	-3.0	-228.16	330.53	1.42	-226.74
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1CC(=O)[O-]	REAL300000493145	0	36	-3.0	-230.24	346.72	0.36	-229.88
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CN=N1	REAL300000493146	0	32	-3.0	-212.70	322.51	1.32	-211.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1C(F)(F)F	REAL300000493147	0	32	-3.0	-200.69	326.37	1.04	-199.65
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC(C(=O)[O-])=C1Cl	REAL300000493148	0	32	-3.0	-221.33	327.49	1.19	-220.14
CCN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1C(=O)[O-]	REAL300000493149	0	33	-3.0	-223.57	324.28	0.45	-223.12
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C(C)=C1CC(=O)[O-]	REAL300000493150	0	41	-3.0	-223.56	361.24	3.05	-220.51
O=C([O-])C1=C(F)C(Cl)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493151	0	29	-3.0	-206.35	321.83	0.79	-205.56
CC1=C(Cl)C=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1C(=O)[O-]	REAL300000493152	0	32	-3.0	-218.50	329.99	1.30	-217.20
CC(C)(C)C1=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C(C(=O)[O-])S1	REAL300000493153	0	38	-3.0	-215.15	345.97	2.12	-213.03
COC1=CC(Cl)=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1C(=O)[O-]	REAL300000493154	0	33	-3.0	-221.65	336.57	0.84	-220.81
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC=C1C(=O)[O-]	REAL300000493155	0	32	-3.0	-206.70	312.26	0.77	-205.93
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C([N+](=O)[O-])=C1	REAL300000493156	0	34	-3.0	-218.15	336.97	2.28	-215.87
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CN=N1	REAL300000493157	0	32	-3.0	-215.94	316.20	1.03	-214.91
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC=C1	REAL300000493158	0	31	-3.0	-235.07	319.97	2.08	-232.99
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC=C1	REAL300000493159	0	29	-3.0	-232.04	299.86	0.25	-231.79
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C1C(=O)[O-]	REAL300000493160	0	32	-3.0	-215.85	321.19	0.91	-214.94
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=CC2=CC=CC=C21	REAL300000493161	0	35	-3.0	-235.84	337.29	2.36	-233.48
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C1	REAL300000493162	0	28	-3.0	-222.27	292.47	-1.65	-223.92
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=CC=CN=N1	REAL300000493163	0	33	-3.0	-212.15	324.45	0.04	-212.11
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)=C(Cl)O1	REAL300000493164	0	26	-3.0	-204.23	296.38	-0.81	-205.04
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=CC=CN=N3)C=C2)CC1	REAL300000493165	0	36	-3.0	-213.28	342.37	2.12	-211.16
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=CC=CN=N3)C=C2C1	REAL300000493166	0	36	-3.0	-225.15	341.70	2.12	-223.03
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CC=CN=N2)C=C(C(=O)[O-])O1	REAL300000493167	0	32	-3.0	-210.42	318.41	0.16	-210.26
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000493170	1	41	-2.0	-116.15	364.30	6.45	-109.70
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000493171	0	45	-2.0	-122.44	392.44	6.24	-116.20
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000493172	1	45	-2.0	-104.05	395.73	7.74	-96.31
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000493174	0	41	-2.0	-112.35	377.35	7.02	-105.33
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000493175	1	41	-2.0	-111.82	376.79	6.84	-104.98
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000493176	1	47	-2.0	-119.46	396.68	7.76	-111.70
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000493177	0	41	-2.0	-114.16	369.76	6.51	-107.65
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000493178	1	47	-2.0	-103.34	407.85	8.03	-95.31
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000493179	0	38	-2.0	-110.46	357.46	5.46	-105.00
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000493180	1	44	-2.0	-117.63	379.73	7.23	-110.40
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000493182	1	42	-2.0	-114.60	370.94	5.79	-108.81
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000493184	0	41	-2.0	-107.57	373.40	6.12	-101.45
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000493186	0	38	-2.0	-113.51	355.94	5.48	-108.03
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1	REAL300000493188	1	47	-2.0	-116.14	394.43	8.16	-107.98
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000493189	0	41	-2.0	-110.29	367.32	5.58	-104.71
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000493190	0	45	-2.0	-119.02	393.25	5.54	-113.48
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000493191	1	44	-2.0	-107.98	385.00	7.27	-100.71
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000493192	1	41	-2.0	-113.94	372.92	6.34	-107.60
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000493193	0	41	-2.0	-101.84	377.34	7.01	-94.83
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000493194	1	41	-2.0	-103.74	368.82	6.49	-97.25
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000493195	0	38	-2.0	-106.27	356.55	5.57	-100.70
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000493196	1	41	-2.0	-106.99	370.69	6.51	-100.48
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000493197	0	44	-2.0	-115.59	390.04	7.15	-108.44
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000493198	0	41	-2.0	-103.82	369.76	6.52	-97.30
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000493199	1	41	-2.0	-101.76	376.80	6.85	-94.91
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000493200	1	41	-2.0	-106.51	375.11	6.54	-99.97
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000493201	0	42	-2.0	-116.95	374.01	4.15	-112.80
CCC(=O)N(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000493201	1	42	-2.0	-110.69	373.24	4.95	-105.74
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000493202	1	44	-2.0	-108.27	386.45	7.22	-101.05
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000493207	0	41	-2.0	-105.67	376.04	6.57	-99.10
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000493209	0	44	-2.0	-114.80	386.29	7.07	-107.73
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000493210	0	44	-2.0	-122.71	389.29	7.14	-115.57
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000493212	1	45	-2.0	-115.86	392.31	6.67	-109.19
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000493215	0	41	-2.0	-121.93	367.95	6.48	-115.45
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000493216	1	44	-2.0	-110.82	388.97	7.09	-103.73
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000493217	0	40	-2.0	-115.48	360.49	4.56	-110.92
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000493218	0	45	-2.0	-108.56	392.49	6.24	-102.32
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000493219	0	38	-2.0	-104.20	364.44	5.43	-98.77
CCC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000493220	0	44	-2.0	-110.19	386.43	6.44	-103.75
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000493223	1	40	-2.0	-116.59	358.47	4.55	-112.04
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000493224	0	44	-2.0	-122.81	386.60	4.36	-118.45
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000493225	1	44	-2.0	-101.30	389.90	5.86	-95.44
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000493227	0	40	-2.0	-112.86	371.52	5.14	-107.72
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000493228	1	40	-2.0	-112.25	370.95	4.96	-107.29
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000493229	1	46	-2.0	-119.97	390.84	5.87	-114.10
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000493230	0	40	-2.0	-114.62	363.93	4.63	-109.99
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000493231	1	46	-2.0	-100.63	402.02	6.14	-94.49
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000493232	0	37	-2.0	-110.92	351.63	3.58	-107.34
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000493233	1	43	-2.0	-118.11	373.89	5.34	-112.77
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000493235	1	41	-2.0	-115.00	365.09	3.92	-111.08
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000493237	0	40	-2.0	-104.38	367.56	4.24	-100.14
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000493239	0	37	-2.0	-113.90	350.10	3.60	-110.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C(=O)NC)C=C1	REAL300000493241	1	46	-2.0	-116.71	388.60	6.28	-110.43
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000493242	0	40	-2.0	-110.81	361.49	3.70	-107.11
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000493243	0	44	-2.0	-119.43	387.41	3.66	-115.77
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000493244	1	43	-2.0	-106.37	379.16	5.37	-101.00
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000493245	1	40	-2.0	-114.48	367.05	4.45	-110.03
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000493246	0	40	-2.0	-99.48	371.50	5.12	-94.36
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000493247	1	40	-2.0	-104.22	362.99	4.60	-99.62
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000493248	0	37	-2.0	-106.75	350.71	3.68	-103.07
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000493249	1	40	-2.0	-105.90	364.86	4.63	-101.27
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000493250	0	43	-2.0	-116.01	384.20	5.27	-110.74
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000493251	0	40	-2.0	-101.10	363.92	4.63	-96.47
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000493252	1	40	-2.0	-102.27	370.95	4.97	-97.30
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000493253	1	40	-2.0	-102.70	369.28	4.66	-98.04
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000493254	0	41	-2.0	-117.42	368.17	2.27	-115.15
CNC(=O)N(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000493254	1	41	-2.0	-111.89	366.91	2.96	-108.93
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000493255	1	43	-2.0	-105.16	380.62	5.34	-99.82
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000493256	1	43	-2.0	-114.83	371.84	5.28	-109.55
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000493260	0	40	-2.0	-103.37	370.20	4.69	-98.68
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000493262	0	43	-2.0	-115.28	379.89	5.15	-110.13
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000493263	0	43	-2.0	-122.99	383.46	5.26	-117.73
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N(C)C(=O)NC)C=C2)C=C1C(=O)[O-]	REAL300000493265	1	44	-2.0	-116.24	386.47	4.78	-111.46
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000493268	0	40	-2.0	-122.22	362.11	4.59	-117.63
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000493269	1	43	-2.0	-106.76	383.72	5.21	-101.55
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000493270	0	39	-2.0	-115.87	354.66	2.68	-113.19
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000493271	0	44	-2.0	-106.15	386.65	4.36	-101.79
CNC(=O)N(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000493272	0	37	-2.0	-104.73	358.60	3.54	-101.19
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N(C)C(=O)NC)C=C2)C=C(C(=O)[O-])O1	REAL300000493273	0	43	-2.0	-110.80	380.58	4.56	-106.24
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)COC(=O)N1	REAL300000493274	1	40	-2.0	-112.94	358.96	3.72	-109.22
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)COC(=O)N1	REAL300000493275	1	40	-2.0	-101.84	354.41	3.70	-98.14
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)COC(=O)N1	REAL300000493276	1	40	-2.0	-115.45	354.43	3.69	-111.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)COC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000493277	1	43	-2.0	-117.94	374.51	4.34	-113.60
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)COC(=O)N1	REAL300000493278	0	40	-2.0	-112.04	359.91	3.75	-108.29
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)COC(=O)N1	REAL300000493279	0	37	-2.0	-109.49	347.62	2.70	-106.79
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2(C)COC(=O)N2)=C1	REAL300000493280	1	43	-2.0	-113.72	369.86	4.46	-109.26
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)COC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000493281	0	41	-2.0	-111.91	361.06	3.04	-108.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3(C)COC(=O)N3)=C2)=C1	REAL300000493282	0	40	-2.0	-104.39	363.55	3.38	-101.01
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)COC(=O)N1	REAL300000493283	0	37	-2.0	-110.99	346.08	2.72	-108.27
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)COC(=O)N3)=C2)C=C(C(=O)[O-])O1	REAL300000493284	0	40	-2.0	-108.90	357.44	2.83	-106.07
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)COC(=O)N3)=C2)C=C(C(=O)[O-])S1	REAL300000493285	1	40	-2.0	-112.31	363.03	3.58	-108.73
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)COC(=O)N1	REAL300000493286	1	40	-2.0	-101.27	358.94	3.72	-97.55
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)COC(=O)N1	REAL300000493287	0	37	-2.0	-103.21	346.70	2.82	-100.39
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)COC(=O)N1	REAL300000493288	1	40	-2.0	-106.05	360.84	3.76	-102.29
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)COC(=O)N1	REAL300000493289	0	40	-2.0	-101.03	359.90	3.76	-97.27
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)COC(=O)N1	REAL300000493290	0	41	-2.0	-114.61	364.15	1.40	-113.21
CC1(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)COC(=O)N1	REAL300000493290	1	41	-2.0	-107.45	353.16	2.29	-105.16
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)COC(=O)N1	REAL300000493291	1	43	-2.0	-104.94	376.60	4.48	-100.46
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2(C)COC(=O)N2)=C1	REAL300000493292	1	43	-2.0	-109.64	364.50	4.33	-105.31
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)COC(=O)N3)=C2)C=C1C(=O)[O-]	REAL300000493294	0	44	-2.0	-113.22	382.44	3.90	-109.32
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3(C)COC(=O)N3)=C2)=CC=C1C(=O)[O-]	REAL300000493295	1	43	-2.0	-101.96	370.45	4.24	-97.72
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)COC(=O)N1	REAL300000493296	0	40	-2.0	-120.13	358.06	3.71	-116.42
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)COC(=O)N1	REAL300000493297	0	39	-2.0	-111.54	351.40	1.73	-109.81
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)COC(=O)N3)=C2)C=C(C(=O)[O-])O1	REAL300000493298	0	43	-2.0	-108.77	376.56	3.68	-105.09
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(C3(C(=O)[O-])CC3)C3=CC=CC=C32)=C1	REAL300000493345	1	46	-2.0	-99.58	373.71	8.41	-91.17
O=C([O-])C1(C2CCN(S(=O)(=O)C3=NC=C[N-]3)C3=CC=CC=C32)CC1	REAL300000493447	0	39	-2.0	-102.56	322.53	5.42	-97.14
O=C([O-])C1(C2CCN(S(=O)(=O)C3=CC(F)=CC=C3[O-])C3=CC=CC=C32)CC1	REAL300000493480	0	43	-2.0	-92.80	358.70	7.81	-84.99
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC(O)=C1C	REAL300000493533	1	42	-2.0	-92.32	370.19	2.03	-90.29
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493534	1	35	-2.0	-108.36	318.98	3.49	-104.87
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(C)C(O)=C1	REAL300000493535	0	43	-2.0	-110.19	373.36	4.53	-105.66
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493537	1	35	-2.0	-112.12	313.74	3.44	-108.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(C)C(O)=C1	REAL300000493538	0	39	-2.0	-117.23	341.88	3.24	-113.99
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC(O)=C1C	REAL300000493539	1	39	-2.0	-98.43	345.18	4.74	-93.69
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC(O)=C1C	REAL300000493541	0	35	-2.0	-107.72	327.49	4.03	-103.69
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493542	1	35	-2.0	-106.87	326.95	3.86	-103.01
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=CC(O)=C1C	REAL300000493543	0	35	-2.0	-102.44	339.30	4.39	-98.05
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC(O)=C1C	REAL300000493544	1	41	-2.0	-114.64	346.41	4.79	-109.85
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(O)=C1C	REAL300000493545	0	35	-2.0	-109.52	319.90	3.52	-106.00
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC(O)=C1C	REAL300000493546	1	41	-2.0	-97.87	357.30	5.02	-92.85
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(O)=C1C	REAL300000493547	0	32	-2.0	-105.37	307.63	2.48	-102.89
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(C)C(O)=C1	REAL300000493548	1	38	-2.0	-112.41	329.17	4.23	-108.18
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493550	1	36	-2.0	-110.33	320.38	2.80	-107.53
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=C(C)C(O)=C2)=C1	REAL300000493552	0	35	-2.0	-101.98	322.85	3.13	-98.85
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493554	0	32	-2.0	-106.83	306.09	2.50	-104.33
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=C(C)C(O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000493555	1	43	-2.0	-112.31	372.76	3.27	-109.04
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC(O)=C1C	REAL300000493557	1	45	-2.0	-116.53	368.97	6.07	-110.46
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC(O)=C1C	REAL300000493558	1	44	-2.0	-114.79	367.63	5.44	-109.35
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(C)C(O)=C1	REAL300000493559	1	41	-2.0	-110.70	343.87	5.17	-105.53
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(C)C(O)=C1	REAL300000493560	0	42	-2.0	-117.47	364.17	4.01	-113.46
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493561	0	38	-2.0	-107.47	348.70	3.89	-103.58
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493561	1	37	-3.0	-187.04	342.14	4.00	-183.04
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC(O)=C1C	REAL300000493562	1	42	-2.0	-116.83	357.98	5.34	-111.49
CC1=C(S(=O)(=O)[N-]C2=CC(O)=C(C)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000493563	0	35	-2.0	-105.68	317.43	2.60	-103.08
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493564	1	41	-2.0	-116.82	355.90	3.22	-113.60
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C)=C(C)C(O)=C2)=C1	REAL300000493565	0	39	-2.0	-113.03	342.72	2.53	-110.50
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493567	1	35	-2.0	-100.52	341.42	4.28	-96.24
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC(O)=C1C	REAL300000493568	0	35	-2.0	-104.10	332.01	4.04	-100.06
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CC(O)=C1C	REAL300000493569	1	39	-2.0	-95.64	360.84	4.27	-91.37
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=CC(O)=C1C	REAL300000493571	1	45	-2.0	-96.34	393.49	4.70	-91.64
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC(O)=C1C	REAL300000493572	1	38	-2.0	-102.75	334.45	4.26	-98.49
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC(O)=C1C	REAL300000493574	1	39	-2.0	-96.58	351.03	3.79	-92.79
CC1=C(S(=O)(=O)[N-]C2=CC(O)=C(C)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000493576	1	35	-2.0	-108.51	323.43	3.33	-105.18
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=CC(O)=C1C	REAL300000493577	0	35	-2.0	-101.22	342.64	4.48	-96.74
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC(O)=C1C	REAL300000493578	0	35	-2.0	-96.19	327.50	4.02	-92.17
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(O)=C1C	REAL300000493579	1	35	-2.0	-98.13	318.26	3.48	-94.65
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(O)=C1C	REAL300000493580	0	32	-2.0	-100.36	306.69	2.59	-97.77
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493581	1	35	-2.0	-101.93	320.85	3.53	-98.40
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC(O)=C1C	REAL300000493582	0	38	-2.0	-110.42	339.51	4.15	-106.27
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=C(C)C(O)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000493583	0	39	-2.0	-100.61	354.73	4.08	-96.53
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(O)=C1C	REAL300000493584	0	35	-2.0	-98.31	319.91	3.53	-94.78
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(O)=C1C	REAL300000493585	1	35	-2.0	-96.27	326.23	3.85	-92.42
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC(O)=C1C	REAL300000493586	1	38	-2.0	-104.46	343.18	4.65	-99.81
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC(O)=C1C	REAL300000493587	1	43	-2.0	-95.16	377.48	4.86	-90.30
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493588	1	35	-2.0	-99.81	324.57	3.54	-96.27
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC(O)=C1C	REAL300000493589	1	37	-2.0	-96.55	341.94	4.10	-92.45
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(O)=C1C	REAL300000493590	0	36	-2.0	-111.47	323.45	1.15	-110.32
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(O)=C1C	REAL300000493590	1	36	-2.0	-105.98	322.64	1.95	-104.03
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(O)=C1C	REAL300000493591	1	38	-2.0	-102.83	335.90	4.22	-98.61
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493592	1	35	-2.0	-101.32	334.46	3.97	-97.35
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(O)=C1C	REAL300000493593	1	38	-2.0	-107.76	323.78	4.08	-103.68
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493594	1	38	-2.0	-109.74	339.28	4.11	-105.63
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493597	0	37	-2.0	-108.89	340.31	4.53	-104.36
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC(O)=C1C	REAL300000493598	0	35	-2.0	-100.69	326.17	3.59	-97.10
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C)=C(C)C(O)=C2)C=C1C(=O)[O-]	REAL300000493600	0	38	-2.0	-111.27	339.05	4.14	-107.13
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC(O)=C1C	REAL300000493601	0	38	-2.0	-108.82	345.48	4.58	-104.24
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C)=C(C)C(O)=C2)=C1	REAL300000493602	0	38	-2.0	-115.83	339.43	4.15	-111.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=C(C)C(O)=C2)C=C1C(=O)[O-]	REAL300000493603	1	41	-2.0	-113.30	347.70	4.62	-108.68
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC(O)=C1C	REAL300000493605	1	38	-2.0	-100.96	340.00	4.62	-96.34
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CC(O)=C1C	REAL300000493606	1	38	-2.0	-95.24	343.85	4.26	-90.98
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493607	1	38	-2.0	-108.73	345.67	4.42	-104.31
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=C(C)C(O)=C2)C=C1C(=O)[O-]	REAL300000493608	1	39	-2.0	-111.68	341.77	3.66	-108.02
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CC(O)=C1C	REAL300000493610	0	35	-2.0	-98.87	339.32	4.00	-94.87
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493611	1	38	-2.0	-106.28	348.18	4.53	-101.75
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493612	0	44	-2.0	-108.14	363.17	5.58	-102.56
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C)=C(C)C(O)=C2)C=C1C(=O)[O-]	REAL300000493613	0	39	-2.0	-113.24	354.74	4.09	-109.15
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC(O)=C1C	REAL300000493615	0	40	-2.0	-104.24	357.71	5.66	-98.58
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC(O)=C1C	REAL300000493617	0	37	-2.0	-119.23	337.48	5.29	-113.94
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(O)=C1C	REAL300000493618	0	35	-2.0	-116.01	317.39	3.48	-112.53
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493619	1	38	-2.0	-104.43	339.38	4.14	-100.29
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493620	1	41	-2.0	-120.66	355.46	5.58	-115.08
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(O)=C1C	REAL300000493621	0	34	-2.0	-109.12	309.95	1.57	-107.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=C(C)C(O)=C1	REAL300000493622	0	39	-2.0	-103.27	341.94	3.24	-100.03
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(O)=C1C	REAL300000493623	0	32	-2.0	-98.89	313.88	2.42	-96.47
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC(O)=C1C	REAL300000493624	1	42	-2.0	-106.01	359.86	5.32	-100.69
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC(O)=C1C	REAL300000493625	1	42	-2.0	-109.24	359.17	5.32	-103.92
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=C(C)C(O)=C2)C=C(C(=O)[O-])O1	REAL300000493626	0	38	-2.0	-105.60	336.55	3.45	-102.15
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CC1=O	REAL300000493627	0	35	-2.0	-107.26	335.30	2.71	-104.55
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CC1=O	REAL300000493627	1	34	-3.0	-202.83	334.38	2.06	-200.77
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC1=O	REAL300000493628	0	35	-2.0	-97.87	330.74	2.69	-95.18
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC1=O	REAL300000493629	0	35	-2.0	-109.29	330.76	2.67	-106.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)C(=O)C=C1	REAL300000493630	0	39	-2.0	-113.38	358.90	2.50	-110.88
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=CC1=O	REAL300000493631	0	39	-2.0	-97.27	362.21	3.98	-93.29
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C=C1C(=O)[O-]	REAL300000493632	0	38	-2.0	-110.27	346.80	3.22	-107.05
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=CC1=O	REAL300000493633	0	35	-2.0	-104.22	343.83	3.24	-100.98
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=CC1=O	REAL300000493633	1	34	-3.0	-200.34	342.91	2.58	-197.76
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CC1=O	REAL300000493634	0	35	-2.0	-105.40	343.27	3.08	-102.32
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=CC1=O	REAL300000493634	1	34	-3.0	-202.44	342.35	2.42	-200.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)=C1C	REAL300000493635	0	41	-2.0	-110.85	363.16	3.98	-106.87
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CC1=O	REAL300000493636	0	35	-2.0	-105.52	336.24	2.75	-102.77
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CC1=O	REAL300000493636	1	34	-3.0	-204.09	335.32	2.09	-202.00
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=CC1=O	REAL300000493637	0	41	-2.0	-96.18	374.33	4.27	-91.91
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC1=O	REAL300000493638	0	32	-2.0	-103.94	323.95	1.71	-102.23
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC1=O	REAL300000493638	1	31	-3.0	-199.39	323.03	1.05	-198.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)C(=O)C=C1	REAL300000493639	0	38	-2.0	-109.05	346.19	3.45	-105.60
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=CC1=O	REAL300000493640	0	39	-2.0	-95.96	361.83	2.97	-92.99
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C=C1C(=O)[O-]	REAL300000493641	0	36	-2.0	-108.15	337.41	2.04	-106.11
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)C(=O)C=C1	REAL300000493642	0	39	-2.0	-109.79	354.97	1.49	-108.30
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)=C1	REAL300000493643	0	35	-2.0	-100.31	339.88	2.36	-97.95
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C=C1C(=O)[O-]	REAL300000493644	0	41	-2.0	-110.10	362.22	4.00	-106.10
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC1=O	REAL300000493645	0	32	-2.0	-105.35	322.41	1.73	-103.62
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC1=O	REAL300000493645	1	31	-3.0	-201.40	321.50	1.05	-200.35
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C=C1C(=O)[O-]	REAL300000493646	0	39	-2.0	-115.20	358.05	2.75	-112.45
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)C(=O)C=C1	REAL300000493647	0	44	-2.0	-110.90	384.66	4.65	-106.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)C(=O)C=C1	REAL300000493648	0	41	-2.0	-107.12	360.91	4.20	-102.92
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)C(=O)C=C1	REAL300000493649	0	42	-2.0	-114.53	381.19	3.25	-111.28
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=CC1=O	REAL300000493650	0	37	-3.0	-183.81	359.17	3.25	-180.56
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=CC1=O	REAL300000493651	0	42	-2.0	-112.99	375.01	4.56	-108.43
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C=C(C(=O)[O-])O1	REAL300000493652	0	35	-2.0	-103.13	333.78	1.83	-101.30
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)C(=O)C=C2)C=C(C(=O)[O-])O1	REAL300000493652	1	34	-3.0	-195.47	332.86	1.17	-194.30
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)=C1	REAL300000493653	0	39	-2.0	-111.63	359.67	1.79	-109.84
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)=CC=C1OCC(=O)[O-]	REAL300000493654	0	42	-2.0	-96.43	381.92	3.67	-92.76
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)C(=O)C=C1	REAL300000493655	0	38	-2.0	-100.41	351.47	3.48	-96.93
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=CC1=O	REAL300000493656	0	39	-2.0	-95.75	368.06	3.02	-92.73
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=CC1=O	REAL300000493656	1	38	-3.0	-184.55	367.14	2.38	-182.17
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C=C1C(=O)[O-]	REAL300000493657	0	42	-2.0	-115.87	379.90	3.66	-112.21
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C=C(C(=O)[O-])S1	REAL300000493658	0	35	-2.0	-105.95	339.36	2.58	-103.37
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=CC1=O	REAL300000493659	0	35	-2.0	-95.52	343.81	3.23	-92.29
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=CC1=O	REAL300000493659	1	34	-3.0	-186.81	342.89	2.57	-184.24
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC1=O	REAL300000493660	0	35	-2.0	-97.66	335.29	2.72	-94.94
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC1=O	REAL300000493660	1	34	-3.0	-188.03	334.37	2.07	-185.96
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC1=O	REAL300000493661	0	32	-2.0	-99.22	323.03	1.81	-97.41
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC1=O	REAL300000493661	1	31	-3.0	-192.27	322.12	1.16	-191.11
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC1=O	REAL300000493662	0	35	-2.0	-100.59	337.17	2.75	-97.84
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC1=O	REAL300000493662	1	34	-3.0	-196.66	336.59	2.07	-194.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)=C1F	REAL300000493663	0	38	-2.0	-106.82	356.52	3.39	-103.43
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC1=O	REAL300000493664	0	35	-2.0	-97.11	336.25	2.76	-94.35
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC1=O	REAL300000493664	1	34	-3.0	-190.74	335.33	2.10	-188.64
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CC1=O	REAL300000493665	0	35	-2.0	-95.59	343.26	3.09	-92.50
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=CC1=O	REAL300000493665	1	34	-3.0	-187.02	342.34	2.43	-184.59
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)C(=O)C=C1	REAL300000493666	0	38	-2.0	-101.91	360.20	3.87	-98.04
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=CC1=O	REAL300000493667	0	35	-2.0	-99.29	341.58	2.78	-96.51
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=CC1=O	REAL300000493667	1	34	-3.0	-192.12	340.66	2.11	-190.01
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=CC1=O	REAL300000493668	0	37	-2.0	-94.98	358.95	3.35	-91.63
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=CC1=O	REAL300000493668	1	36	-3.0	-189.20	358.04	2.70	-186.50
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CC1=O	REAL300000493669	0	36	-2.0	-107.39	340.48	0.41	-106.98
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC1=O	REAL300000493669	1	35	-3.0	-202.70	336.91	1.29	-201.41
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CC1=O	REAL300000493670	0	38	-2.0	-100.18	352.93	3.47	-96.71
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)C(=O)C=C1	REAL300000493671	0	38	-2.0	-106.57	340.83	3.31	-103.26
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)=CC(C(=O)[O-])=C1F	REAL300000493672	0	38	-2.0	-108.59	355.60	3.34	-105.25
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)C(=O)C=C1	REAL300000493673	0	38	-2.0	-97.94	346.18	3.44	-94.50
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)=CC(C(=O)[O-])=C1C	REAL300000493674	0	41	-2.0	-113.64	367.56	3.85	-109.79
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=CC1=O	REAL300000493675	0	37	-2.0	-108.59	357.32	3.78	-104.81
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=CC1=O	REAL300000493675	1	36	-3.0	-200.30	356.40	3.13	-197.17
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CC1=O	REAL300000493676	0	35	-2.0	-97.84	342.52	2.81	-95.03
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=CC1=O	REAL300000493676	1	34	-3.0	-194.16	341.60	2.16	-192.00
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C(C)=C1C(=O)[O-]	REAL300000493677	0	41	-2.0	-110.69	365.24	4.07	-106.62
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C=C1C(=O)[O-]	REAL300000493678	0	38	-2.0	-106.44	352.24	3.28	-103.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)=C1Cl	REAL300000493679	0	38	-2.0	-105.91	362.52	3.81	-102.10
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)=C1	REAL300000493680	0	38	-2.0	-114.82	355.78	3.38	-111.44
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C=C1C(=O)[O-]	REAL300000493681	0	41	-2.0	-110.89	364.70	3.87	-107.02
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C=C1CC(=O)[O-]	REAL300000493682	0	42	-2.0	-110.17	381.23	2.81	-107.36
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)C(=O)C=C1	REAL300000493683	0	38	-2.0	-99.87	357.53	3.82	-96.05
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000493684	0	38	-2.0	-107.05	361.98	3.64	-103.41
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C=C1C(=O)[O-]	REAL300000493685	0	39	-2.0	-109.40	358.77	2.89	-106.51
CC1=C(Cl)C=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C=C1C(=O)[O-]	REAL300000493686	0	38	-2.0	-104.13	364.50	3.75	-100.38
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)=CC=C1C(=O)[O-]	REAL300000493687	0	38	-2.0	-97.92	346.77	3.23	-94.69
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)C(=O)C=C1	REAL300000493688	0	38	-2.0	-106.93	350.72	3.49	-103.44
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=CC1=O	REAL300000493689	0	37	-2.0	-116.97	354.51	4.54	-112.43
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=CC1=O	REAL300000493689	1	36	-3.0	-218.22	353.59	3.88	-214.34
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CC1=O	REAL300000493690	0	35	-2.0	-114.09	334.38	2.71	-111.38
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CC1=O	REAL300000493690	1	34	-3.0	-215.33	333.46	2.06	-213.27
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C=C1C(=O)[O-]	REAL300000493691	0	38	-2.0	-102.37	355.70	3.36	-99.01
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC1=O	REAL300000493692	0	34	-2.0	-106.84	326.99	0.82	-106.02
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC1=O	REAL300000493692	1	33	-3.0	-206.02	326.07	0.15	-205.87
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CN(C)C(=O)C=C1	REAL300000493693	0	39	-2.0	-101.59	358.97	2.49	-99.10
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC1=O	REAL300000493694	0	32	-2.0	-97.59	330.92	1.67	-95.92
CN1C=C(C(=O)[N-][N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC1=O	REAL300000493694	1	31	-3.0	-189.08	329.99	1.00	-188.08
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=CC1=O	REAL300000493695	0	42	-2.0	-103.52	376.89	4.57	-98.95
CN1C=C(C(=O)N[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=CC1=O	REAL300000493696	0	42	-2.0	-108.07	376.20	4.57	-103.50
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CN(C)C(=O)C=C2)C=C(C(=O)[O-])O1	REAL300000493697	0	38	-2.0	-102.80	352.88	2.61	-100.19
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CN(C)C(=O)C=C2)C=C(C(=O)[O-])O1	REAL300000493697	1	37	-3.0	-195.11	351.97	1.96	-193.15
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000493698	1	39	-2.0	-106.11	354.15	6.74	-99.37
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300000493699	1	39	-2.0	-96.86	349.70	6.73	-90.13
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C	REAL300000493700	1	39	-2.0	-110.38	349.69	6.73	-103.65
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(C(C)=O)C(C)=C1	REAL300000493701	0	43	-2.0	-115.91	377.85	6.53	-109.38
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C	REAL300000493702	1	43	-2.0	-96.65	381.17	8.02	-88.63
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000493703	1	42	-2.0	-109.53	365.88	7.26	-102.27
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C	REAL300000493704	0	39	-2.0	-105.33	362.58	7.27	-98.06
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000493705	1	39	-2.0	-104.45	362.20	7.12	-97.33
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C	REAL300000493706	1	45	-2.0	-113.22	382.10	8.04	-105.18
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000493707	0	39	-2.0	-106.84	354.99	6.76	-100.08
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C	REAL300000493708	1	45	-2.0	-95.79	393.24	8.31	-87.48
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000493709	0	36	-2.0	-104.28	342.86	5.76	-98.52
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C	REAL300000493710	1	42	-2.0	-111.40	365.11	7.51	-103.89
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C	REAL300000493711	1	43	-2.0	-95.17	380.79	7.01	-88.16
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000493712	0	40	-2.0	-108.56	356.33	6.08	-102.48
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1C	REAL300000493713	1	43	-2.0	-111.12	373.71	5.52	-105.60
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C	REAL300000493714	0	39	-2.0	-99.59	358.72	6.39	-93.20
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1C	REAL300000493715	1	45	-2.0	-112.99	380.55	8.03	-104.96
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C	REAL300000493716	0	36	-2.0	-105.80	341.33	5.77	-100.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=C(C(C)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000493717	1	43	-2.0	-116.27	377.00	6.80	-109.47
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1C	REAL300000493718	1	48	-2.0	-113.76	403.58	8.75	-105.01
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(C(C)=O)C(C)=C1	REAL300000493719	1	45	-2.0	-109.79	379.74	8.44	-101.35
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(C(C)=O)C(C)=C1	REAL300000493720	0	46	-2.0	-115.49	400.04	7.27	-108.22
CC(=O)C1=C(C)C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000493721	0	42	-2.0	-106.94	383.83	7.12	-99.82
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000493721	1	41	-3.0	-184.77	378.01	7.27	-177.50
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C	REAL300000493722	1	46	-2.0	-115.60	393.95	8.64	-106.96
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C	REAL300000493723	0	39	-2.0	-103.77	354.55	5.83	-97.94
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C	REAL300000493724	0	43	-2.0	-109.72	378.64	5.82	-103.90
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C	REAL300000493725	0	39	-2.0	-102.55	367.20	7.30	-95.25
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1C	REAL300000493726	1	46	-2.0	-95.62	400.84	7.72	-87.90
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C	REAL300000493727	1	42	-2.0	-101.68	370.39	7.55	-94.13
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C	REAL300000493728	1	43	-2.0	-94.49	386.98	7.07	-87.42
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=C(C(C)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000493729	1	46	-2.0	-115.14	398.75	7.68	-107.46
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C	REAL300000493730	0	39	-2.0	-107.47	359.30	6.60	-100.87
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000493731	0	39	-2.0	-94.36	362.76	7.28	-87.08
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000493732	1	39	-2.0	-96.22	354.21	6.77	-89.45
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000493733	0	36	-2.0	-98.45	341.87	5.84	-92.61
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000493734	1	39	-2.0	-100.95	356.09	6.79	-94.16
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C	REAL300000493735	0	42	-2.0	-108.84	375.48	7.43	-101.41
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000493736	0	39	-2.0	-96.15	355.14	6.79	-89.36
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C	REAL300000493737	1	39	-2.0	-94.35	362.19	7.13	-87.22
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C	REAL300000493738	1	42	-2.0	-103.43	379.16	7.94	-95.49
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000493739	1	39	-2.0	-99.07	360.43	6.80	-92.27
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C	REAL300000493740	0	41	-2.0	-93.67	377.46	7.37	-86.30
CC(=O)C1=C(C)C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C	REAL300000493741	0	40	-2.0	-103.63	358.41	5.22	-98.41
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C	REAL300000493741	1	40	-2.0	-110.28	359.40	4.46	-105.82
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C	REAL300000493742	1	42	-2.0	-100.63	371.85	7.51	-93.12
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000493743	1	39	-2.0	-100.52	370.43	7.25	-93.27
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C	REAL300000493744	1	42	-2.0	-105.93	363.12	7.44	-98.49
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000493745	1	42	-2.0	-107.40	374.51	7.37	-100.03
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1C	REAL300000493746	1	42	-2.0	-97.36	365.02	7.49	-89.87
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000493747	1	45	-2.0	-113.40	382.47	7.77	-105.63
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300000493748	0	41	-2.0	-106.24	375.55	7.73	-98.51
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000493749	0	39	-2.0	-98.77	361.36	6.83	-91.94
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C	REAL300000493750	1	45	-2.0	-109.18	382.54	8.10	-101.08
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C	REAL300000493751	0	42	-2.0	-109.70	374.68	7.41	-102.29
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C	REAL300000493752	0	42	-2.0	-107.58	381.45	7.86	-99.72
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C	REAL300000493753	0	42	-2.0	-113.30	374.69	7.42	-105.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=C(C(C)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000493754	1	45	-2.0	-110.60	383.84	7.89	-102.71
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=C(C(C)=O)C(C)=C2)C=C1CC(=O)[O-]	REAL300000493755	1	46	-2.0	-112.55	400.08	6.84	-105.71
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C	REAL300000493756	1	42	-2.0	-98.29	375.75	7.88	-90.41
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000493757	1	42	-2.0	-106.18	380.90	7.70	-98.48
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=C(C(C)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000493758	0	43	-2.0	-108.38	377.63	6.93	-101.45
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000493759	1	42	-2.0	-102.11	379.37	7.66	-94.45
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C	REAL300000493760	1	42	-2.0	-96.78	365.03	7.22	-89.56
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1C	REAL300000493761	1	42	-2.0	-109.05	369.22	7.56	-101.49
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C	REAL300000493762	0	41	-2.0	-115.36	373.42	8.59	-106.77
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000493763	0	39	-2.0	-112.66	353.27	6.74	-105.92
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000493764	1	42	-2.0	-100.15	370.83	7.28	-92.87
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C	REAL300000493765	1	45	-2.0	-116.51	390.70	8.84	-107.67
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000493766	0	38	-2.0	-106.69	345.83	4.83	-101.86
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=C(C(C)=O)C(C)=C1	REAL300000493767	0	43	-2.0	-101.37	377.81	6.51	-94.86
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000493768	0	36	-2.0	-97.08	349.75	5.67	-91.41
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C	REAL300000493769	1	46	-2.0	-104.06	395.81	8.61	-95.45
CC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C	REAL300000493770	1	46	-2.0	-105.83	393.80	8.59	-97.24
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=C(C(C)=O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000493771	0	42	-2.0	-103.35	371.64	6.69	-96.66
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000493772	1	40	-2.0	-102.03	348.39	7.29	-94.74
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000493773	1	40	-2.0	-92.24	343.82	7.27	-84.97
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000493774	1	40	-2.0	-104.48	343.85	7.25	-97.23
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000493775	0	44	-2.0	-114.77	371.99	7.05	-107.72
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000493776	1	44	-2.0	-91.78	375.29	8.55	-83.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000493777	1	43	-2.0	-106.94	363.91	7.91	-99.03
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1F	REAL300000493778	0	40	-2.0	-104.64	356.92	7.83	-96.81
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000493779	1	40	-2.0	-100.32	356.35	7.65	-92.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)=C1C	REAL300000493780	1	46	-2.0	-112.35	376.52	8.61	-103.74
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000493781	0	40	-2.0	-106.25	349.32	7.32	-98.93
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000493782	1	46	-2.0	-90.87	387.41	8.84	-82.03
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000493783	0	37	-2.0	-102.51	337.03	6.27	-96.24
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000493784	1	43	-2.0	-110.16	359.28	8.03	-102.13
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000493786	0	41	-2.0	-102.91	350.49	6.62	-96.29
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)=C1	REAL300000493788	0	40	-2.0	-98.54	352.97	6.95	-91.59
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000493790	0	37	-2.0	-100.19	335.50	6.29	-93.90
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000493792	1	49	-2.0	-112.55	397.75	9.27	-103.28
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000493793	1	46	-2.0	-108.80	374.02	8.99	-99.81
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000493794	0	47	-2.0	-114.66	394.28	7.82	-106.84
CC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000493795	0	43	-2.0	-111.32	378.96	7.68	-103.64
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000493795	1	42	-3.0	-179.47	372.25	7.82	-171.65
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1F	REAL300000493796	1	47	-2.0	-114.37	388.12	9.17	-105.20
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000493797	0	40	-2.0	-102.60	346.85	6.42	-96.18
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)=C1	REAL300000493798	0	44	-2.0	-109.34	372.83	6.35	-102.99
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000493800	1	43	-2.0	-100.39	364.55	8.08	-92.31
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1F	REAL300000493801	1	44	-2.0	-89.98	381.14	7.60	-82.38
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000493803	0	40	-2.0	-106.35	352.44	7.15	-99.20
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1F	REAL300000493804	0	40	-2.0	-93.23	356.89	7.83	-85.40
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000493805	1	40	-2.0	-91.76	348.37	7.30	-84.46
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000493806	0	37	-2.0	-97.27	336.11	6.38	-90.89
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000493807	1	40	-2.0	-95.33	350.25	7.33	-88.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)=C1F	REAL300000493808	0	43	-2.0	-107.59	369.62	7.96	-99.63
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000493809	0	40	-2.0	-94.96	349.31	7.34	-87.62
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000493810	1	40	-2.0	-89.78	356.34	7.66	-82.12
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000493811	1	43	-2.0	-102.17	373.29	8.46	-93.71
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000493812	1	40	-2.0	-93.59	354.66	7.35	-86.24
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1F	REAL300000493813	0	42	-2.0	-89.57	372.03	7.93	-81.64
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000493814	0	41	-2.0	-109.37	353.56	4.96	-104.41
CC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000493814	1	41	-2.0	-107.14	352.65	5.84	-101.30
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000493815	1	43	-2.0	-95.28	366.01	8.03	-87.25
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000493816	1	43	-2.0	-104.25	353.40	7.92	-96.33
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)=CC(C(=O)[O-])=C1F	REAL300000493817	1	43	-2.0	-103.31	368.69	7.91	-95.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)=CC(C(=O)[O-])=C1C	REAL300000493819	1	46	-2.0	-107.51	376.73	8.32	-99.19
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300000493820	0	42	-2.0	-102.92	370.40	8.34	-94.58
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1F	REAL300000493821	0	40	-2.0	-97.54	355.60	7.40	-90.14
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000493823	0	43	-2.0	-108.58	369.16	7.95	-100.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)=C1Cl	REAL300000493824	0	43	-2.0	-106.42	375.59	8.40	-98.02
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)=C1	REAL300000493825	0	43	-2.0	-112.53	368.88	7.95	-104.58
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000493826	1	46	-2.0	-106.33	378.08	8.45	-97.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)C=C1CC(=O)[O-]	REAL300000493827	1	47	-2.0	-105.75	394.31	7.38	-98.37
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000493828	1	43	-2.0	-97.34	370.11	8.44	-88.90
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000493829	1	43	-2.0	-102.10	375.09	8.22	-93.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000493830	0	44	-2.0	-104.24	371.87	7.48	-96.76
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000493831	1	43	-2.0	-99.01	377.58	8.33	-90.68
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000493832	1	43	-2.0	-92.34	359.85	7.80	-84.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000493833	1	43	-2.0	-107.68	363.38	8.10	-99.58
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1F	REAL300000493834	0	42	-2.0	-114.98	367.58	9.12	-105.86
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000493835	0	40	-2.0	-111.82	347.50	7.30	-104.52
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000493836	1	43	-2.0	-97.16	368.79	7.94	-89.22
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000493837	0	39	-2.0	-106.39	340.84	5.31	-101.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000493838	0	44	-2.0	-100.12	372.05	7.06	-93.06
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000493839	0	37	-2.0	-96.08	343.99	6.24	-89.84
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1F	REAL300000493840	1	47	-2.0	-102.67	389.97	9.14	-93.53
CC(C)(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1F	REAL300000493841	1	47	-2.0	-102.62	389.31	9.14	-93.48
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)(C)C)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000493842	0	43	-2.0	-102.60	365.98	7.27	-95.33
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1	REAL300000493843	0	38	-2.0	-92.57	362.49	3.95	-88.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC=C1F	REAL300000493844	0	31	-2.0	-109.34	310.56	5.39	-103.95
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)SC=N1	REAL300000493845	0	39	-2.0	-110.43	365.64	6.47	-103.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1	REAL300000493846	0	31	-2.0	-99.26	306.01	5.37	-93.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493847	0	31	-2.0	-112.26	306.02	5.36	-106.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)SC=N1	REAL300000493848	0	35	-2.0	-117.83	334.16	5.19	-112.64
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1	REAL300000493849	0	35	-2.0	-98.73	337.48	6.66	-92.07
CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1C(=O)[O-]	REAL300000493850	0	34	-2.0	-113.30	322.04	5.90	-107.40
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493851	0	31	-2.0	-107.63	319.09	5.92	-101.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC=C1Cl	REAL300000493852	0	31	-2.0	-107.81	318.54	5.76	-102.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C(Cl)C=C1Cl	REAL300000493853	0	31	-2.0	-103.17	331.59	6.31	-96.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1C	REAL300000493854	0	37	-2.0	-115.01	338.41	6.66	-108.35
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493855	0	31	-2.0	-109.63	311.49	5.43	-104.20
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1	REAL300000493856	0	37	-2.0	-98.08	349.59	6.95	-91.13
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493857	0	28	-2.0	-106.54	299.21	4.40	-102.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)SC=N1	REAL300000493858	0	34	-2.0	-113.10	321.45	6.14	-106.96
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1	REAL300000493859	0	35	-2.0	-97.39	337.10	5.65	-91.74
CN1C=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1C(=O)[O-]	REAL300000493860	0	32	-2.0	-110.47	312.66	4.73	-105.74
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)SC=N1	REAL300000493861	0	35	-2.0	-113.65	329.80	4.21	-109.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493862	0	31	-2.0	-102.28	315.13	5.06	-97.22
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1C(=O)[O-]	REAL300000493863	0	37	-2.0	-114.73	337.06	6.71	-108.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CS1	REAL300000493864	0	28	-2.0	-107.75	297.67	4.40	-103.35
COC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC(C(=O)[O-])=C1OC	REAL300000493865	0	39	-2.0	-112.68	364.33	5.17	-107.51
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1C(=O)[O-]	REAL300000493866	0	35	-2.0	-118.20	333.31	5.43	-112.77
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493867	0	41	-2.0	-117.24	361.25	8.01	-109.23
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)SC=N1	REAL300000493868	0	40	-2.0	-115.27	359.92	7.38	-107.89
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)SC=N1	REAL300000493869	0	37	-2.0	-111.02	336.14	7.09	-103.93
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)SC=N1	REAL300000493870	0	38	-2.0	-117.54	356.45	5.94	-111.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC(C(=O)[O-])=C1	REAL300000493871	0	33	-3.0	-188.16	334.42	5.93	-182.23
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493872	0	38	-2.0	-117.51	350.26	7.26	-110.25
CC1=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C(C(=O)[O-])O1	REAL300000493873	0	31	-2.0	-105.76	309.03	4.52	-101.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC2=C1OCCO2	REAL300000493874	0	37	-2.0	-117.23	348.19	5.14	-112.09
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493875	0	35	-2.0	-112.82	334.94	4.48	-108.34
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=C(C4CC4)SC=N3)C=C2C1	REAL300000493876	0	39	-2.0	-98.22	358.94	5.97	-92.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC(Cl)=C1Cl	REAL300000493877	0	31	-2.0	-101.70	333.69	6.21	-95.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C(Cl)C=C1F	REAL300000493878	0	31	-2.0	-104.11	323.61	5.96	-98.15
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1Cl	REAL300000493879	0	35	-2.0	-95.79	353.13	6.19	-89.60
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC=C1OCC(=O)[O-]	REAL300000493880	0	38	-2.0	-97.88	357.18	6.35	-91.53
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)SC=N1	REAL300000493881	0	34	-2.0	-103.49	326.73	6.18	-97.31
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC=C1OCCCC(=O)[O-]	REAL300000493882	0	44	-2.0	-97.80	399.63	7.28	-90.52
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1F	REAL300000493883	0	35	-2.0	-96.78	343.32	5.71	-91.07
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1C(=O)[O-]	REAL300000493884	0	38	-2.0	-118.65	355.17	6.34	-112.31
CC1=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C(C(=O)[O-])S1	REAL300000493885	0	31	-2.0	-109.19	315.71	5.26	-103.93
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493886	0	31	-2.0	-101.19	334.25	6.38	-94.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C(Cl)=C1	REAL300000493887	0	31	-2.0	-96.54	319.07	5.92	-90.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1F	REAL300000493888	0	31	-2.0	-98.64	310.56	5.40	-93.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)S1	REAL300000493889	0	28	-2.0	-101.16	298.28	4.50	-96.66
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493890	0	31	-2.0	-102.80	312.43	5.43	-97.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1F	REAL300000493891	0	34	-2.0	-111.13	331.78	6.07	-105.06
COC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C(Cl)C=C1C(=O)[O-]	REAL300000493892	0	35	-2.0	-101.14	346.32	5.98	-95.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C(F)=C1	REAL300000493893	0	31	-2.0	-98.79	311.47	5.43	-93.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1Cl	REAL300000493894	0	31	-2.0	-96.75	318.53	5.77	-90.98
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)SC=N1	REAL300000493895	0	34	-2.0	-105.21	335.46	6.56	-98.65
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1	REAL300000493896	0	39	-2.0	-95.31	369.77	6.78	-88.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC(F)=C1F	REAL300000493897	0	31	-2.0	-100.91	316.84	5.46	-95.45
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493898	0	33	-2.0	-96.94	334.21	6.03	-90.91
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493899	0	32	-2.0	-111.82	315.73	3.10	-108.72
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1	REAL300000493900	0	34	-2.0	-103.09	328.20	6.15	-96.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC(Cl)=C1F	REAL300000493901	0	31	-2.0	-102.37	326.73	5.89	-96.48
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)SC=N1	REAL300000493902	0	34	-2.0	-107.81	316.06	6.01	-101.80
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC(C(=O)[O-])=C1F	REAL300000493903	0	34	-2.0	-110.73	330.85	6.01	-104.72
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)SC=N1	REAL300000493904	0	34	-2.0	-99.30	321.43	6.12	-93.18
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC(C(=O)[O-])=C1C	REAL300000493905	0	37	-2.0	-115.57	338.90	6.43	-109.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC=C1[N+](=O)[O-]	REAL300000493906	0	33	-2.0	-109.82	332.60	6.46	-103.36
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493907	0	31	-2.0	-101.07	317.76	5.49	-95.58
CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C(C)=C1C(=O)[O-]	REAL300000493908	0	37	-2.0	-112.25	339.41	6.79	-105.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1C(=O)[O-]	REAL300000493909	0	34	-2.0	-111.96	331.33	6.06	-105.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1Cl	REAL300000493910	0	34	-2.0	-109.45	337.78	6.50	-102.95
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493911	0	34	-2.0	-116.83	331.07	6.06	-110.77
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1C(=O)[O-]	REAL300000493912	0	37	-2.0	-114.08	340.34	6.55	-107.53
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1CC(=O)[O-]	REAL300000493913	0	38	-2.0	-114.64	356.50	5.50	-109.14
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C2CC2)SC=N1	REAL300000493914	0	34	-2.0	-101.10	332.28	6.56	-94.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1C(F)(F)F	REAL300000493915	0	34	-2.0	-95.62	336.15	6.18	-89.44
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC(C(=O)[O-])=C1Cl	REAL300000493916	0	34	-2.0	-109.70	337.24	6.32	-103.38
CCN1C=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1C(=O)[O-]	REAL300000493917	0	35	-2.0	-111.82	334.05	5.60	-106.22
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C(C)=C1CC(=O)[O-]	REAL300000493918	0	43	-2.0	-112.03	371.17	8.24	-103.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C(F)C(Cl)=C1F	REAL300000493919	0	31	-2.0	-99.68	331.63	5.92	-93.76
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1C(=O)[O-]	REAL300000493920	0	34	-2.0	-105.61	335.89	6.33	-99.28
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C(C(=O)[O-])S1	REAL300000493921	0	40	-2.0	-108.25	355.90	7.44	-100.81
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1C(=O)[O-]	REAL300000493922	0	35	-2.0	-113.23	346.34	5.99	-107.24
CC1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC=C1C(=O)[O-]	REAL300000493923	0	34	-2.0	-100.96	326.09	6.01	-94.95
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C([N+](=O)[O-])=C1	REAL300000493924	0	36	-2.0	-103.22	346.74	7.56	-95.66
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CC2)SC=N1	REAL300000493925	0	34	-2.0	-110.58	325.55	6.21	-104.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1[N+](=O)[O-]	REAL300000493926	0	33	-2.0	-118.59	329.76	7.23	-111.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1F	REAL300000493927	0	31	-2.0	-115.96	309.66	5.39	-110.57
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C1C(=O)[O-]	REAL300000493928	0	34	-2.0	-103.86	327.19	5.94	-97.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=CC2=CC=CC=C21	REAL300000493929	0	37	-2.0	-120.55	347.06	7.50	-113.05
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300000493930	0	30	-2.0	-110.04	302.23	3.50	-106.54
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2CC2)SC=N1	REAL300000493931	0	35	-2.0	-103.55	334.21	5.18	-98.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)=C(Cl)O1	REAL300000493932	0	28	-2.0	-99.74	306.12	4.36	-95.38
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C(C4CC4)SC=N3)C=C2)CC1	REAL300000493933	0	38	-2.0	-105.95	352.14	7.25	-98.70
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C(C4CC4)SC=N3)C=C2C1	REAL300000493934	0	38	-2.0	-108.70	350.11	7.23	-101.47
CCC1=C(S(=O)(=O)[N-]C2=C(C3CC3)SC=N2)C=C(C(=O)[O-])O1	REAL300000493935	0	34	-2.0	-105.61	328.14	5.36	-100.25
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000493936	0	35	-2.0	-83.93	341.04	-0.63	-84.56
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000493937	0	28	-2.0	-99.40	289.12	0.81	-98.59
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000493938	0	36	-2.0	-100.47	344.20	1.89	-98.58
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000493939	0	28	-2.0	-89.75	284.56	0.79	-88.96
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000493940	0	28	-2.0	-101.53	284.58	0.78	-100.75
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000493941	0	32	-2.0	-106.37	312.72	0.59	-105.78
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000493942	0	28	-2.0	-97.03	300.83	1.27	-95.76
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000493943	0	32	-2.0	-89.67	316.03	2.07	-87.60
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000493944	0	31	-2.0	-102.49	300.60	1.31	-101.18
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000493945	0	34	-2.0	-104.22	317.25	2.14	-102.08
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000493946	0	28	-2.0	-98.44	290.05	0.84	-97.60
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000493947	0	34	-2.0	-88.80	328.14	2.37	-86.43
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000493948	0	25	-2.0	-96.01	277.77	-0.20	-96.21
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000493949	0	31	-2.0	-102.15	300.02	1.57	-100.58
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000493950	0	32	-2.0	-88.37	315.65	1.06	-87.31
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000493951	0	39	-2.0	-85.08	361.42	1.84	-83.24
COC1=NSC=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000493952	0	25	-2.0	-92.98	294.80	0.57	-92.41
COC1=NSC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000493953	0	29	-2.0	-100.08	291.23	0.14	-99.94
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000493954	0	32	-2.0	-102.90	308.36	-0.37	-103.27
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000493955	0	28	-2.0	-92.29	293.69	0.46	-91.83
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000493956	0	34	-2.0	-103.20	316.03	2.11	-101.09
COC1=NSC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000493957	0	25	-2.0	-97.45	276.23	-0.17	-97.62
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C(OC)=C1	REAL300000493958	0	36	-2.0	-101.87	342.92	0.59	-101.28
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000493959	0	32	-2.0	-107.39	311.87	0.85	-106.54
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000493960	0	38	-2.0	-105.77	339.82	3.42	-102.35
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000493961	0	37	-2.0	-104.22	338.48	2.80	-101.42
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSN=C1OC	REAL300000493962	0	34	-2.0	-100.53	314.70	2.52	-98.01
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000493963	0	35	-2.0	-106.18	335.01	1.36	-104.82
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000493964	0	30	-3.0	-174.63	312.99	1.34	-173.29
COC1=NSC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000493964	1	31	-2.0	-106.05	313.85	1.36	-104.69
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000493965	0	35	-2.0	-106.03	328.82	2.68	-103.35
COC1=NSC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000493966	0	28	-2.0	-95.59	287.59	-0.07	-95.66
COC1=NSC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000493967	0	34	-2.0	-106.36	326.76	0.55	-105.81
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000493968	0	32	-2.0	-102.77	313.50	-0.12	-102.89
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000493969	0	36	-2.0	-89.53	338.21	1.39	-88.14
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000493970	0	28	-2.0	-91.45	312.26	1.63	-89.82
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000493971	0	32	-2.0	-87.06	331.69	1.60	-85.46
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000493972	0	35	-2.0	-88.78	335.74	1.77	-87.01
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000493973	0	38	-2.0	-88.11	364.33	2.03	-86.08
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000493974	0	31	-2.0	-93.06	305.29	1.60	-91.46
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000493975	0	41	-2.0	-89.10	378.19	2.70	-86.40
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000493976	0	32	-2.0	-88.05	321.88	1.13	-86.92
CCOC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2OC)C=C1C(=O)[O-]	REAL300000493977	0	35	-2.0	-108.07	333.73	1.75	-106.32
COC1=NSC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000493978	0	28	-2.0	-98.74	294.28	0.67	-98.07
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000493979	0	28	-2.0	-91.15	312.80	1.81	-89.34
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000493980	0	28	-2.0	-87.43	297.63	1.35	-86.08
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000493981	0	28	-2.0	-87.08	300.98	1.49	-85.59
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000493982	0	28	-2.0	-89.45	289.12	0.82	-88.63
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000493983	0	25	-2.0	-91.19	276.85	-0.09	-91.28
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000493984	0	28	-2.0	-92.68	291.00	0.85	-91.83
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000493985	0	31	-2.0	-99.61	310.34	1.48	-98.13
COC1=NSC=C1[N-]S(=O)(=O)C1=C(Cl)C=C(C(=O)[O-])C(OC)=C1	REAL300000493986	0	32	-2.0	-92.09	324.89	1.41	-90.68
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000493987	0	28	-2.0	-88.95	290.05	0.85	-88.10
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000493988	0	28	-2.0	-87.41	297.09	1.18	-86.23
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000493989	0	31	-2.0	-94.68	314.02	1.99	-92.69
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000493990	0	36	-2.0	-86.75	348.31	2.19	-84.56
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000493991	0	28	-2.0	-86.94	300.82	1.28	-85.66
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000493992	0	30	-2.0	-87.05	312.77	1.45	-85.60
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000493993	0	29	-2.0	-101.04	294.30	-1.51	-102.55
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000493994	0	31	-2.0	-92.96	306.75	1.56	-91.40
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000493995	0	28	-2.0	-92.55	305.29	1.31	-91.24
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000493996	0	31	-2.0	-98.02	294.62	1.42	-96.60
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000493997	0	31	-2.0	-100.57	309.42	1.43	-99.14
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000493998	0	31	-2.0	-89.89	299.99	1.56	-88.33
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000493999	0	34	-2.0	-104.27	317.46	1.85	-102.42
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000494000	0	30	-2.0	-100.51	311.14	1.88	-98.63
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000494001	0	28	-2.0	-90.39	296.34	0.90	-89.49
COC1=NSC=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000494002	0	25	-2.0	-88.96	297.16	0.48	-88.48
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494003	0	34	-2.0	-102.30	318.11	2.19	-100.11
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000494004	0	31	-2.0	-100.45	309.89	1.48	-98.97
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000494005	0	31	-2.0	-98.66	316.34	1.93	-96.73
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000494006	0	31	-2.0	-106.28	309.63	1.47	-104.81
CCC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2OC)C=C1C(=O)[O-]	REAL300000494007	0	34	-2.0	-103.15	318.90	1.97	-101.18
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000494008	0	35	-2.0	-104.02	335.06	0.91	-103.11
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000494009	0	31	-2.0	-91.43	310.84	1.96	-89.47
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000494010	0	31	-2.0	-86.44	314.70	1.58	-84.86
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000494011	0	31	-2.0	-99.19	315.81	1.74	-97.45
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000494012	0	28	-2.0	-94.47	305.89	1.39	-93.08
CCN1C=C(S(=O)(=O)[N-]C2=CSN=C2OC)C=C1C(=O)[O-]	REAL300000494013	0	32	-2.0	-101.23	312.60	1.01	-100.22
COC1=NSC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000494014	0	40	-2.0	-102.24	349.73	3.66	-98.58
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000494015	0	28	-2.0	-89.36	310.19	1.33	-88.03
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000494016	0	32	-2.0	-88.79	329.28	1.08	-87.71
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000494017	0	31	-2.0	-95.99	318.35	1.85	-94.14
COC1=NSC=C1[N-]S(=O)(=O)C1=C(Cl)C=C(OC)C(C(=O)[O-])=C1	REAL300000494018	0	32	-2.0	-102.68	324.90	1.42	-101.26
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000494019	0	31	-2.0	-89.74	300.59	1.32	-88.42
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000494020	0	33	-2.0	-94.81	325.30	2.97	-91.84
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000494021	0	31	-2.0	-100.20	304.12	1.63	-98.57
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000494022	0	30	-2.0	-108.70	308.32	2.64	-106.06
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000494023	0	28	-2.0	-105.74	288.22	0.80	-104.94
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000494024	0	31	-2.0	-94.26	309.54	1.45	-92.81
COC1=NSC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000494025	0	34	-2.0	-109.50	325.62	2.91	-106.59
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000494026	0	27	-2.0	-98.31	281.57	-1.15	-99.46
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000494027	0	32	-2.0	-93.65	312.78	0.58	-93.07
COC1=NSC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000494028	0	25	-2.0	-89.72	284.68	-0.23	-89.95
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000494029	0	32	-2.0	-97.15	328.37	1.33	-95.82
COC1=NSC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000494030	0	31	-2.0	-92.86	327.93	-2.18	-95.04
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000494031	0	35	-2.0	-95.95	330.71	2.67	-93.28
COC1=NSC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000494032	0	35	-2.0	-91.21	329.67	2.67	-88.54
CCC1=C(S(=O)(=O)[N-]C2=CSN=C2OC)C=C(C(=O)[O-])O1	REAL300000494033	0	31	-2.0	-95.39	306.70	0.79	-94.60
COC1=CC2=C(OC)C=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000494034	0	41	-2.0	-101.60	364.80	4.19	-97.41
COC1=CC2=C(OC)C=CN=C2C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000494035	0	41	-2.0	-114.46	364.81	4.18	-110.28
COC1=CC2=C(OC)C=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000494036	0	38	-2.0	-108.66	358.00	3.21	-105.45
COC1=CC2=C(OC)C=CN=C2C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000494037	0	42	-2.0	-112.67	371.46	3.54	-109.13
COC1=CC2=C(OC)C=CN=C2C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000494038	0	38	-2.0	-110.05	356.46	3.21	-106.84
COC1=CC2=C(OC)C=CN=C2C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000494039	0	41	-2.0	-107.57	367.82	3.33	-104.24
COC1=CC2=C(OC)C=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000494040	0	38	-2.0	-103.43	357.07	3.31	-100.12
COC1=CC2=C(OC)C=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000494041	0	40	-2.0	-112.37	361.02	2.30	-110.07
CCOC(=O)C1=CC(OCC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000494042	0	44	-2.0	-99.82	391.14	7.02	-92.80
CCOC(=O)C1=CC(OCC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000494043	0	44	-2.0	-112.39	391.16	7.01	-105.38
CCOC(=O)C1=CC(OCC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000494044	0	41	-2.0	-106.77	384.34	6.04	-100.73
CCOC(=O)C1=CC(OCC)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000494045	0	45	-2.0	-110.87	397.81	6.37	-104.50
CCOC(=O)C1=CC(OCC)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000494046	0	41	-2.0	-108.09	382.81	6.05	-102.04
CCOC(=O)C1=CC(OCC)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000494047	0	44	-2.0	-105.21	394.17	6.16	-99.05
CCOC(=O)C1=CC(OCC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000494048	0	41	-2.0	-101.69	383.41	6.14	-95.55
CCOC(=O)C1=CC(OCC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000494049	0	43	-2.0	-110.42	387.37	5.14	-105.28
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000494050	0	37	-2.0	-104.44	350.79	6.89	-97.55
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000494051	0	37	-2.0	-94.76	346.24	6.87	-87.89
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000494052	0	37	-2.0	-106.85	346.26	6.86	-99.99
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000494053	0	41	-2.0	-110.74	374.40	6.66	-104.08
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000494054	0	41	-2.0	-93.67	377.70	8.16	-85.51
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000494055	0	40	-2.0	-108.09	362.28	7.40	-100.69
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000494056	0	43	-2.0	-108.03	379.36	8.20	-99.83
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000494057	0	37	-2.0	-103.10	351.73	6.93	-96.17
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000494058	0	43	-2.0	-92.67	389.83	8.44	-84.23
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000494059	0	34	-2.0	-101.41	339.44	5.89	-95.52
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000494060	0	40	-2.0	-106.12	361.69	7.65	-98.47
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000494061	0	41	-2.0	-92.41	377.32	7.15	-85.26
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000494062	0	38	-2.0	-105.44	352.89	6.21	-99.23
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000494063	0	41	-2.0	-106.25	370.46	5.68	-100.57
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000494064	0	37	-2.0	-97.66	355.39	6.55	-91.11
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000494065	0	43	-2.0	-107.27	377.70	8.18	-99.09
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000494066	0	34	-2.0	-102.72	337.91	5.91	-96.81
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000494067	0	41	-2.0	-112.70	373.53	6.93	-105.77
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000494068	0	43	-2.0	-103.20	371.86	8.38	-94.82
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000494069	0	37	-2.0	-100.13	349.26	6.00	-94.13
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000494070	0	41	-2.0	-108.09	375.22	5.95	-102.14
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000494071	0	40	-2.0	-97.34	366.96	7.68	-89.66
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000494072	0	37	-2.0	-102.85	354.88	6.77	-96.08
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000494073	0	37	-2.0	-94.34	350.77	6.90	-87.44
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000494074	0	34	-2.0	-96.42	338.51	5.99	-90.43
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000494075	0	37	-2.0	-97.96	352.66	6.93	-91.03
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000494076	0	40	-2.0	-104.70	372.00	7.56	-97.14
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000494077	0	37	-2.0	-94.36	351.72	6.94	-87.42
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000494078	0	38	-2.0	-104.23	355.97	4.57	-99.66
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000494079	0	40	-2.0	-97.18	368.43	7.64	-89.54
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000494080	0	40	-2.0	-104.27	356.29	7.50	-96.77
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000494081	0	40	-2.0	-105.91	371.09	7.51	-98.40
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000494082	0	40	-2.0	-94.55	361.67	7.65	-86.90
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000494083	0	43	-2.0	-110.07	379.13	7.93	-102.14
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494084	0	43	-2.0	-108.55	380.73	8.25	-100.30
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000494085	0	40	-2.0	-104.23	367.73	7.46	-96.77
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000494086	0	40	-2.0	-113.20	371.27	7.56	-105.64
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000494087	0	43	-2.0	-108.77	380.22	8.05	-100.72
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000494088	0	41	-2.0	-106.69	374.27	7.08	-99.61
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000494089	0	40	-2.0	-96.50	366.31	7.51	-88.99
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000494090	0	40	-2.0	-103.56	366.21	7.68	-95.88
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000494091	0	37	-2.0	-112.29	349.89	6.89	-105.40
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000494092	0	40	-2.0	-98.79	367.42	7.44	-91.35
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000494093	0	36	-2.0	-104.76	342.47	4.99	-99.77
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000494094	0	41	-2.0	-98.53	374.46	6.66	-91.87
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000494095	0	34	-2.0	-94.68	346.36	5.84	-88.84
CCOC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000494096	0	40	-2.0	-99.04	364.65	6.75	-92.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CS(=O)(=O)C3=C2)C=C1	REAL300000494097	1	36	-2.0	-98.11	343.67	0.42	-97.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CS(=O)(=O)C3=C2)=CC=C1	REAL300000494098	1	36	-2.0	-110.37	343.68	0.41	-109.96
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)CS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000494099	0	37	-2.0	-108.84	350.34	-0.25	-109.09
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC(=O)CS(=O)(=O)C3=C2)=C1	REAL300000494100	0	35	-2.0	-107.85	339.91	-1.48	-109.33
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=NO1	REAL300000494104	0	40	-2.0	-84.62	364.78	3.18	-81.44
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=NO1	REAL300000494105	0	33	-2.0	-100.09	312.85	4.62	-95.47
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1	REAL300000494106	0	41	-2.0	-101.98	367.94	5.70	-96.28
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=NO1	REAL300000494107	0	33	-2.0	-97.95	324.73	5.31	-92.64
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=NO1	REAL300000494108	0	33	-2.0	-90.30	308.29	4.60	-85.70
CC(C)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=NO1	REAL300000494109	0	33	-2.0	-102.34	308.32	4.59	-97.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1	REAL300000494110	0	37	-2.0	-108.09	336.46	4.42	-103.67
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=NO1	REAL300000494111	0	33	-2.0	-97.97	324.56	5.08	-92.89
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=NO1	REAL300000494112	0	37	-2.0	-90.46	339.77	5.89	-84.57
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C=C1C(=O)[O-]	REAL300000494113	0	36	-2.0	-104.68	328.39	5.24	-99.44
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=NO1	REAL300000494114	0	33	-2.0	-98.50	321.39	5.18	-93.32
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=NO1	REAL300000494115	0	33	-2.0	-98.38	320.82	4.99	-93.39
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=NO1	REAL300000494116	0	33	-2.0	-94.24	333.88	5.55	-88.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)=C1C	REAL300000494117	0	39	-2.0	-105.63	341.42	5.93	-99.70
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=NO1	REAL300000494118	0	33	-2.0	-99.73	313.79	4.66	-95.07
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=NO1	REAL300000494119	0	39	-2.0	-89.77	351.88	6.19	-83.58
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=NO1	REAL300000494120	0	30	-2.0	-96.64	301.50	3.62	-93.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1	REAL300000494121	0	36	-2.0	-103.84	323.75	5.38	-98.46
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=NO1	REAL300000494122	0	37	-2.0	-89.08	339.39	4.88	-84.20
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C=NO1	REAL300000494123	0	44	-2.0	-85.67	385.15	5.65	-80.02
CC(C)C1=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=NO1	REAL300000494124	0	30	-2.0	-94.18	318.50	4.38	-89.80
CC(C)C1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=NO1	REAL300000494125	0	34	-2.0	-100.78	314.95	3.95	-96.83
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1	REAL300000494126	0	37	-2.0	-104.38	332.52	3.42	-100.96
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)=C1	REAL300000494127	0	33	-2.0	-92.82	317.45	4.28	-88.54
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C=C1C(=O)[O-]	REAL300000494128	0	39	-2.0	-105.02	339.76	5.91	-99.11
CC(C)C1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=NO1	REAL300000494129	0	30	-2.0	-98.14	299.97	3.64	-94.50
COC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)=CC(C(=O)[O-])=C1OC	REAL300000494130	0	41	-2.0	-102.73	366.64	4.40	-98.33
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C=C1C(=O)[O-]	REAL300000494131	0	37	-2.0	-108.29	335.59	4.66	-103.63
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=NO1	REAL300000494132	0	43	-2.0	-107.51	363.56	7.23	-100.28
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=NO1	REAL300000494133	0	42	-2.0	-105.96	362.21	6.62	-99.34
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1	REAL300000494134	0	39	-2.0	-102.46	338.47	6.33	-96.13
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1	REAL300000494135	0	40	-2.0	-108.19	358.75	5.16	-103.03
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=NO1	REAL300000494136	0	35	-3.0	-175.16	336.72	5.16	-170.00
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=NO1	REAL300000494137	0	40	-2.0	-107.74	352.56	6.49	-101.25
CC1=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C=C(C(=O)[O-])O1	REAL300000494138	0	33	-2.0	-96.76	311.32	3.74	-93.02
CC(C)C1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=NO1	REAL300000494139	0	39	-2.0	-107.04	350.48	4.37	-102.67
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)=C1	REAL300000494140	0	37	-2.0	-103.01	337.28	3.70	-99.31
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=NO1	REAL300000494141	0	41	-2.0	-89.57	361.23	5.20	-84.37
CC(C)C1=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=NO1	REAL300000494142	0	33	-2.0	-92.17	335.99	5.44	-86.73
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=NO1	REAL300000494143	0	33	-2.0	-95.45	325.91	5.18	-90.27
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=NO1	REAL300000494144	0	37	-2.0	-87.72	355.41	5.42	-82.30
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)=CC=C1OCC(=O)[O-]	REAL300000494145	0	40	-2.0	-89.54	359.47	5.59	-83.95
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=NO1	REAL300000494146	0	43	-2.0	-88.92	388.06	5.85	-83.07
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1	REAL300000494147	0	36	-2.0	-94.51	329.03	5.42	-89.09
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)=CC=C1OCCCC(=O)[O-]	REAL300000494148	0	46	-2.0	-90.00	401.91	6.52	-83.48
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=NO1	REAL300000494149	0	37	-2.0	-88.70	345.61	4.94	-83.76
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C=C1C(=O)[O-]	REAL300000494150	0	40	-2.0	-108.90	357.45	5.57	-103.33
CC1=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C=C(C(=O)[O-])S1	REAL300000494151	0	33	-2.0	-100.32	316.94	4.50	-95.82
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=NO1	REAL300000494152	0	33	-2.0	-92.30	336.54	5.61	-86.69
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=NO1	REAL300000494153	0	33	-2.0	-87.93	321.37	5.16	-82.77
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=NO1	REAL300000494154	0	33	-2.0	-87.60	324.72	5.31	-82.29
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=NO1	REAL300000494155	0	33	-2.0	-89.90	312.83	4.63	-85.27
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=NO1	REAL300000494156	0	30	-2.0	-91.70	300.57	3.72	-87.98
CC(C)C1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=NO1	REAL300000494157	0	33	-2.0	-93.33	314.72	4.66	-88.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)=C1F	REAL300000494158	0	36	-2.0	-101.04	334.07	5.30	-95.74
COC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000494159	0	37	-2.0	-92.54	348.62	5.23	-87.31
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=NO1	REAL300000494160	0	33	-2.0	-89.43	313.78	4.67	-84.76
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=NO1	REAL300000494161	0	33	-2.0	-87.88	320.80	5.00	-82.88
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1	REAL300000494162	0	36	-2.0	-96.16	337.77	5.81	-90.35
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=NO1	REAL300000494163	0	41	-2.0	-87.49	372.05	6.01	-81.48
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=NO1	REAL300000494164	0	33	-2.0	-87.48	324.54	5.09	-82.39
CC(C)C1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=NO1	REAL300000494165	0	33	-2.0	-91.78	319.13	4.69	-87.09
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=NO1	REAL300000494166	0	35	-2.0	-87.66	336.50	5.26	-82.40
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=NO1	REAL300000494167	0	33	-3.0	-194.98	314.47	3.20	-191.78
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=NO1	REAL300000494167	1	34	-2.0	-102.86	318.03	2.31	-100.55
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=NO1	REAL300000494168	0	36	-2.0	-94.14	330.48	5.38	-88.76
CC(C)C1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=NO1	REAL300000494169	0	33	-2.0	-93.18	329.02	5.13	-88.05
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1	REAL300000494170	0	36	-2.0	-98.12	318.35	5.23	-92.89
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)=CC(C(=O)[O-])=C1F	REAL300000494171	0	36	-2.0	-101.33	333.15	5.25	-96.08
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1	REAL300000494172	0	36	-2.0	-90.67	323.73	5.37	-85.30
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)=CC(C(=O)[O-])=C1C	REAL300000494173	0	39	-2.0	-105.21	341.19	5.66	-99.55
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=NO1	REAL300000494174	0	35	-2.0	-101.03	334.87	5.69	-95.34
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=NO1	REAL300000494175	0	33	-2.0	-91.40	320.05	4.72	-86.68
CC(C)C1=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=NO1	REAL300000494176	0	30	-2.0	-89.30	320.90	4.28	-85.02
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C(C)=C1C(=O)[O-]	REAL300000494177	0	39	-2.0	-102.20	342.80	5.99	-96.21
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C=C1C(=O)[O-]	REAL300000494178	0	36	-2.0	-100.77	329.79	5.19	-95.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)=C1Cl	REAL300000494179	0	36	-2.0	-100.20	340.08	5.74	-94.46
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)=C1	REAL300000494180	0	36	-2.0	-106.39	333.33	5.29	-101.10
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C=C1C(=O)[O-]	REAL300000494181	0	39	-2.0	-104.14	342.25	5.78	-98.36
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C=C1CC(=O)[O-]	REAL300000494182	0	40	-2.0	-104.26	358.78	4.73	-99.53
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1	REAL300000494183	0	36	-2.0	-91.60	334.58	5.79	-85.81
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=NO1	REAL300000494184	0	36	-2.0	-86.95	338.42	5.40	-81.55
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)=CC(C(=O)[O-])=C1Cl	REAL300000494185	0	36	-2.0	-100.04	339.54	5.55	-94.49
CC(C)C1=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=NO1	REAL300000494186	0	33	-2.0	-95.17	329.61	5.21	-89.96
CCN1C=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C=C1C(=O)[O-]	REAL300000494187	0	37	-2.0	-102.05	336.34	4.82	-97.23
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C(C)=C1CC(=O)[O-]	REAL300000494188	0	45	-2.0	-102.13	373.23	7.45	-94.68
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=NO1	REAL300000494189	0	33	-2.0	-90.37	333.92	5.15	-85.22
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=NO1	REAL300000494190	0	37	-2.0	-89.29	353.01	4.91	-84.38
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C=C1C(=O)[O-]	REAL300000494191	0	36	-2.0	-95.64	338.18	5.56	-90.08
CC(C)C1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=NO1	REAL300000494192	0	42	-2.0	-100.40	357.76	6.73	-93.67
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C=C1C(=O)[O-]	REAL300000494193	0	37	-2.0	-104.13	348.64	5.22	-98.91
CC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)=CC=C1C(=O)[O-]	REAL300000494194	0	36	-2.0	-91.89	328.37	5.24	-86.65
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=NO1	REAL300000494195	0	38	-2.0	-94.88	351.57	6.80	-88.08
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1	REAL300000494196	0	36	-2.0	-101.47	328.27	5.41	-96.06
CC(C)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=NO1	REAL300000494197	0	35	-2.0	-108.76	332.04	6.47	-102.29
CC(C)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=NO1	REAL300000494198	0	33	-2.0	-105.69	311.95	4.62	-101.07
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C=C1C(=O)[O-]	REAL300000494199	0	36	-2.0	-93.97	329.48	5.17	-88.80
CC(C)C1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=NO1	REAL300000494200	0	39	-2.0	-110.34	349.35	6.72	-103.62
CC(C)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=NO1	REAL300000494201	0	32	-2.0	-99.78	304.53	2.73	-97.05
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1	REAL300000494202	0	37	-2.0	-94.42	336.51	4.42	-90.00
CC(C)C1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=NO1	REAL300000494203	0	30	-2.0	-90.56	308.42	3.57	-86.99
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=NO1	REAL300000494204	0	37	-2.0	-97.90	352.09	5.14	-92.76
CC(C)C1=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=NO1	REAL300000494205	0	36	-2.0	-93.21	351.66	1.64	-91.57
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=NO1	REAL300000494206	0	40	-2.0	-97.00	354.44	6.48	-90.52
CC(C)C1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=NO1	REAL300000494207	0	40	-2.0	-98.67	352.40	6.47	-92.20
CCC1=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2)C=C(C(=O)[O-])O1	REAL300000494208	0	36	-2.0	-96.74	330.45	4.59	-92.15
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000494209	1	39	-2.0	-82.16	368.78	4.78	-77.38
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000494210	1	32	-2.0	-97.35	316.84	6.21	-91.14
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=C(F)C=C1C	REAL300000494211	0	40	-2.0	-99.31	371.90	7.28	-92.03
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000494213	1	32	-2.0	-99.54	312.30	6.18	-93.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=C(F)C=C1C	REAL300000494214	0	36	-2.0	-105.69	340.44	5.99	-99.70
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000494215	1	36	-2.0	-87.89	343.77	7.47	-80.42
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000494217	0	32	-2.0	-96.33	325.37	6.76	-89.57
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000494218	1	32	-2.0	-95.54	324.81	6.58	-88.96
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000494219	1	38	-2.0	-103.74	345.40	7.53	-96.21
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000494220	0	32	-2.0	-97.44	317.77	6.25	-91.19
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000494221	1	38	-2.0	-87.22	355.88	7.76	-79.46
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000494222	0	29	-2.0	-94.38	305.49	5.19	-89.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=C(F)C=C1C	REAL300000494223	1	35	-2.0	-102.04	327.72	6.96	-95.08
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000494225	1	33	-2.0	-98.00	318.95	5.54	-92.46
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C#N)=C(F)C=C2C)=C1	REAL300000494227	0	32	-2.0	-90.55	321.46	5.86	-84.69
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000494229	0	29	-2.0	-95.63	303.94	5.22	-90.41
COC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=C(F)C=C2C)=CC(C(=O)[O-])=C1OC	REAL300000494230	1	40	-2.0	-99.93	370.61	6.00	-93.93
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000494232	1	42	-2.0	-105.47	367.53	8.82	-96.65
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000494233	1	41	-2.0	-103.89	366.20	8.20	-95.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=C(F)C=C1C	REAL300000494234	1	38	-2.0	-100.87	341.84	7.90	-92.97
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=C(F)C=C1C	REAL300000494235	0	39	-2.0	-104.57	362.75	6.75	-97.82
CC1=CC(F)=C(C#N)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000494236	0	35	-2.0	-112.25	339.95	6.68	-105.57
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000494236	1	34	-3.0	-172.85	340.70	6.75	-166.10
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000494237	1	39	-2.0	-105.66	356.54	8.08	-97.58
CC1=C(S(=O)(=O)[N-]C2=CC(C#N)=C(F)C=C2C)C=C(C(=O)[O-])O1	REAL300000494238	0	32	-2.0	-95.27	315.30	5.32	-89.95
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000494239	1	38	-2.0	-104.14	354.47	5.96	-98.18
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C#N)=C(F)C=C2C)=C1	REAL300000494240	0	36	-2.0	-99.91	341.24	5.27	-94.64
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000494242	0	32	-2.0	-93.45	329.89	6.78	-86.67
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000494243	1	36	-2.0	-85.29	359.41	7.01	-78.28
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000494245	1	35	-2.0	-92.83	333.01	7.00	-85.83
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000494246	1	36	-2.0	-86.35	349.60	6.52	-79.83
CC1=C(S(=O)(=O)[N-]C2=CC(C#N)=C(F)C=C2C)C=C(C(=O)[O-])S1	REAL300000494248	1	32	-2.0	-98.63	320.93	6.08	-92.55
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000494249	0	32	-2.0	-85.60	325.34	6.75	-78.85
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000494250	1	32	-2.0	-87.71	316.82	6.23	-81.48
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000494251	0	29	-2.0	-89.58	304.55	5.32	-84.26
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000494252	1	32	-2.0	-90.77	318.71	6.25	-84.52
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000494253	0	35	-2.0	-98.68	338.04	6.88	-91.80
COC1=CC(S(=O)(=O)[N-]C2=CC(C#N)=C(F)C=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000494254	0	36	-2.0	-90.23	352.64	6.79	-83.44
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000494255	0	32	-2.0	-86.93	317.76	6.26	-80.67
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000494256	1	32	-2.0	-85.61	324.79	6.58	-79.03
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000494257	1	35	-2.0	-94.47	341.74	7.38	-87.09
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000494258	1	40	-2.0	-84.92	376.04	7.59	-77.33
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000494259	1	32	-2.0	-89.34	323.11	6.28	-83.06
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000494260	1	34	-2.0	-85.24	340.50	6.85	-78.39
CC1=CC(F)=C(C#N)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000494261	0	33	-2.0	-105.63	319.46	4.70	-100.93
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000494261	1	33	-2.0	-101.28	322.01	3.90	-97.38
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000494262	1	35	-2.0	-91.93	334.48	6.95	-84.98
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000494263	1	32	-2.0	-90.62	333.00	6.72	-83.90
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000494264	1	35	-2.0	-94.79	322.33	6.83	-87.96
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000494265	1	35	-2.0	-98.68	337.12	6.84	-91.84
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000494268	0	34	-2.0	-98.77	338.84	7.29	-91.48
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000494269	0	32	-2.0	-89.24	324.03	6.32	-82.92
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000494271	0	35	-2.0	-99.69	337.62	6.89	-92.80
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000494272	0	35	-2.0	-97.96	344.07	7.33	-90.63
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C#N)=C(F)C=C2C)=C1	REAL300000494273	0	35	-2.0	-102.53	337.32	6.88	-95.65
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000494276	1	35	-2.0	-88.67	338.56	7.36	-81.31
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000494277	1	35	-2.0	-97.28	343.52	7.15	-90.13
CCN1C=C(S(=O)(=O)[N-]C2=CC(C#N)=C(F)C=C2C)C=C1C(=O)[O-]	REAL300000494278	1	36	-2.0	-99.15	340.24	6.38	-92.77
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000494280	1	35	-2.0	-92.84	342.16	7.16	-85.68
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000494281	0	41	-2.0	-98.37	361.74	8.31	-90.06
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C#N)=C(F)C=C2C)C=C1C(=O)[O-]	REAL300000494282	0	36	-2.0	-101.94	352.62	6.82	-95.12
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000494284	0	37	-2.0	-92.30	355.55	8.37	-83.93
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000494286	0	34	-2.0	-104.94	336.03	8.03	-96.91
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000494287	0	32	-2.0	-101.84	315.93	6.20	-95.64
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000494288	1	35	-2.0	-91.28	333.46	6.76	-84.52
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000494289	1	38	-2.0	-107.16	353.34	8.30	-98.86
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000494290	0	31	-2.0	-98.22	309.27	4.24	-93.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C#N)=C(F)C=C1C	REAL300000494291	0	36	-2.0	-91.86	340.48	5.98	-85.88
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000494292	0	29	-2.0	-88.83	312.40	5.16	-83.67
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000494293	1	39	-2.0	-94.73	358.42	8.07	-86.66
CC1=CC(F)=C(C#N)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000494294	1	39	-2.0	-95.17	356.38	8.06	-87.11
CCC1=C(S(=O)(=O)[N-]C2=CC(C#N)=C(F)C=C2C)C=C(C(=O)[O-])O1	REAL300000494295	0	35	-2.0	-95.32	334.41	6.18	-89.14
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C1=CSC=C1	REAL300000494298	1	38	-2.0	-110.38	352.49	8.11	-102.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C1=CSC=C1	REAL300000494299	1	42	-2.0	-96.77	383.96	9.41	-87.36
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C1=CSC=C1	REAL300000494301	0	38	-2.0	-107.44	357.91	8.18	-99.26
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C1=CSC=C1	REAL300000494302	0	35	-2.0	-104.38	345.62	7.13	-97.25
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C1=CSC=C1	REAL300000494304	1	39	-2.0	-108.67	359.10	7.47	-101.20
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(C3=CSC=C3)=C2)=C1	REAL300000494305	0	38	-2.0	-100.37	361.57	7.80	-92.57
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C1=CSC=C1	REAL300000494306	1	35	-2.0	-105.88	344.14	7.15	-98.73
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C3=CSC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000494307	0	38	-2.0	-103.68	355.46	7.25	-96.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C3=CSC=C3)=C2)C=C(C(=O)[O-])S1	REAL300000494308	1	38	-2.0	-107.22	361.03	8.00	-99.22
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C1=CSC=C1	REAL300000494309	1	38	-2.0	-96.72	356.98	8.15	-88.57
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C1=CSC=C1	REAL300000494310	0	35	-2.0	-99.06	344.70	7.24	-91.82
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C1=CSC=C1	REAL300000494311	1	38	-2.0	-100.97	358.92	8.18	-92.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C1=CSC=C1	REAL300000494312	0	38	-2.0	-96.86	357.92	8.18	-88.68
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C1=CSC=C1	REAL300000494313	0	39	-2.0	-109.61	362.15	5.82	-103.79
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C1=CSC=C1	REAL300000494313	1	39	-2.0	-105.01	350.02	6.67	-98.34
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C1=CSC=C1	REAL300000494314	1	41	-2.0	-100.94	374.68	8.90	-92.04
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C3=CSC=C3)=C2)C=C1C(=O)[O-]	REAL300000494317	1	42	-2.0	-109.94	380.52	8.32	-101.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C1=CSC=C1	REAL300000494319	0	38	-2.0	-114.55	356.05	8.14	-106.41
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C1=CSC=C1	REAL300000494320	0	37	-2.0	-108.10	348.75	6.24	-101.86
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C1=CSC=C1	REAL300000494321	0	35	-2.0	-97.52	351.44	7.05	-90.47
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C3=CSC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000494322	0	41	-2.0	-103.44	374.59	8.10	-95.34
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1	REAL300000494323	0	40	-2.0	-88.04	362.22	4.17	-83.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC=C1F	REAL300000494324	1	33	-2.0	-104.55	310.27	5.61	-98.94
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CN=CC=C21	REAL300000494325	0	41	-2.0	-105.27	365.36	6.68	-98.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1	REAL300000494326	1	33	-2.0	-94.62	305.73	5.58	-89.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494327	1	33	-2.0	-107.14	305.74	5.58	-101.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CN=CC=C21	REAL300000494328	0	37	-2.0	-112.23	333.88	5.38	-106.85
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1	REAL300000494329	1	37	-2.0	-94.11	337.21	6.88	-87.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300000494330	1	36	-2.0	-108.31	321.76	6.11	-102.20
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494331	0	33	-2.0	-102.31	318.81	6.15	-96.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC=C1Cl	REAL300000494332	1	33	-2.0	-102.95	318.25	5.97	-96.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C(Cl)C=C1Cl	REAL300000494333	0	33	-2.0	-97.91	331.31	6.53	-91.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1C	REAL300000494334	1	39	-2.0	-109.81	338.41	6.92	-102.89
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494335	0	33	-2.0	-104.35	311.22	5.64	-98.71
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1	REAL300000494336	1	39	-2.0	-93.30	349.33	7.16	-86.14
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494337	0	30	-2.0	-101.47	298.92	4.60	-96.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CN=CC=C21	REAL300000494338	1	36	-2.0	-107.62	321.17	6.35	-101.27
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1	REAL300000494339	1	37	-2.0	-92.80	336.82	5.86	-86.94
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300000494340	0	34	-2.0	-105.44	312.38	4.93	-100.51
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CN=CC=C21	REAL300000494341	1	37	-2.0	-108.27	329.52	4.41	-103.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494342	0	33	-2.0	-97.57	314.87	5.27	-92.30
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300000494343	1	39	-2.0	-108.86	337.19	6.90	-101.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CS1	REAL300000494344	0	30	-2.0	-102.86	297.39	4.61	-98.25
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC(C(=O)[O-])=C1OC	REAL300000494345	1	41	-2.0	-107.59	364.07	5.39	-102.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300000494346	1	37	-2.0	-112.95	333.02	5.65	-107.30
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494347	1	43	-2.0	-111.42	360.98	8.21	-103.21
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CN=CC=C21	REAL300000494348	1	42	-2.0	-109.63	359.65	7.59	-102.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CN=CC=C21	REAL300000494349	1	39	-2.0	-105.74	334.07	7.23	-98.51
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CN=CC=C21	REAL300000494350	0	40	-2.0	-112.97	356.17	6.15	-106.82
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=CN=CC=C32)=CC(C(=O)[O-])=C1	REAL300000494351	0	36	-2.0	-109.10	333.19	6.06	-103.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC(C(=O)[O-])=C1	REAL300000494351	1	35	-3.0	-183.35	334.15	6.15	-177.20
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494352	1	40	-2.0	-111.79	349.99	7.48	-104.31
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C(C(=O)[O-])O1	REAL300000494353	0	33	-2.0	-100.80	308.75	4.72	-96.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC2=C1OCCO2	REAL300000494354	1	39	-2.0	-111.90	347.90	5.35	-106.55
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494355	0	37	-2.0	-108.30	334.66	4.66	-103.64
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CN=CC=C43)C=C2C1	REAL300000494356	1	41	-2.0	-93.36	358.66	6.18	-87.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC(Cl)=C1Cl	REAL300000494357	1	33	-2.0	-96.69	333.42	6.43	-90.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C(Cl)C=C1F	REAL300000494358	0	33	-2.0	-98.99	323.34	6.16	-92.83
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1Cl	REAL300000494359	1	37	-2.0	-91.29	352.84	6.41	-84.88
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC=C1OCC(=O)[O-]	REAL300000494360	1	40	-2.0	-93.25	356.90	6.56	-86.69
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CN=CC=C21	REAL300000494361	1	36	-2.0	-98.25	326.45	6.40	-91.85
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1F	REAL300000494362	1	37	-2.0	-92.27	343.04	5.93	-86.34
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300000494363	1	40	-2.0	-113.61	354.87	6.56	-107.05
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C(C(=O)[O-])S1	REAL300000494364	0	33	-2.0	-103.99	315.43	5.47	-98.52
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494365	0	33	-2.0	-96.19	333.97	6.60	-89.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C(Cl)=C1	REAL300000494366	0	33	-2.0	-91.96	318.79	6.14	-85.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1F	REAL300000494367	1	33	-2.0	-94.16	310.25	5.62	-88.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)S1	REAL300000494368	0	30	-2.0	-96.36	298.00	4.70	-91.66
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494369	0	33	-2.0	-98.00	312.16	5.64	-92.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1F	REAL300000494370	0	36	-2.0	-105.78	331.49	6.28	-99.50
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C(Cl)C=C1C(=O)[O-]	REAL300000494371	0	37	-2.0	-96.60	346.04	6.20	-90.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C(F)=C1	REAL300000494372	0	33	-2.0	-94.14	311.20	5.65	-88.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1Cl	REAL300000494373	1	33	-2.0	-92.17	318.23	5.98	-86.19
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CN=CC=C21	REAL300000494374	1	36	-2.0	-99.90	335.19	6.78	-93.12
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1	REAL300000494375	0	41	-2.0	-90.86	369.49	6.99	-83.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC(F)=C1F	REAL300000494376	1	33	-2.0	-96.12	316.56	5.67	-90.45
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494377	0	35	-2.0	-92.24	333.94	6.24	-86.00
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494378	0	34	-2.0	-106.51	315.46	3.29	-103.22
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC3=CN=CC=C32)=C1	REAL300000494378	1	34	-2.0	-106.79	310.00	4.15	-102.64
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1	REAL300000494379	1	36	-2.0	-98.01	327.91	6.36	-91.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC(Cl)=C1F	REAL300000494380	1	33	-2.0	-97.57	326.45	6.11	-91.46
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CN=CC=C21	REAL300000494381	1	36	-2.0	-103.23	315.78	6.21	-97.02
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC(C(=O)[O-])=C1F	REAL300000494382	1	36	-2.0	-105.92	330.57	6.23	-99.69
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CN=CC=C21	REAL300000494383	1	36	-2.0	-94.58	321.16	6.35	-88.23
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000494384	1	39	-2.0	-110.23	338.62	6.65	-103.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC=C1[N+](=O)[O-]	REAL300000494385	0	35	-2.0	-105.39	332.30	6.66	-98.73
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494386	0	33	-2.0	-96.13	317.48	5.71	-90.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C(C)=C1C(=O)[O-]	REAL300000494387	1	39	-2.0	-107.71	339.27	6.97	-100.74
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300000494388	0	36	-2.0	-106.62	331.06	6.27	-100.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1Cl	REAL300000494389	0	36	-2.0	-104.11	337.52	6.72	-97.39
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494390	0	36	-2.0	-112.26	330.78	6.27	-105.99
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300000494391	1	39	-2.0	-108.97	340.06	6.76	-102.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1CC(=O)[O-]	REAL300000494392	1	40	-2.0	-109.66	356.20	5.71	-103.95
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=CN=CC=C21	REAL300000494393	1	36	-2.0	-96.53	332.00	6.76	-89.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1C(F)(F)F	REAL300000494394	1	36	-2.0	-91.17	335.85	6.40	-84.77
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC(C(=O)[O-])=C1Cl	REAL300000494395	1	36	-2.0	-104.72	336.96	6.54	-98.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300000494396	0	37	-2.0	-106.65	333.77	5.79	-100.86
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C(C)=C1CC(=O)[O-]	REAL300000494397	1	45	-2.0	-107.49	370.89	8.45	-99.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C(F)C(Cl)=C1F	REAL300000494398	0	33	-2.0	-94.73	331.34	6.14	-88.59
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300000494399	1	36	-2.0	-100.50	335.60	6.55	-93.95
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C(C(=O)[O-])S1	REAL300000494400	0	42	-2.0	-103.20	355.18	7.71	-95.49
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300000494401	0	37	-2.0	-107.80	346.07	6.21	-101.59
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC=C1C(=O)[O-]	REAL300000494402	1	36	-2.0	-94.72	321.75	6.13	-88.59
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C([N+](=O)[O-])=C1	REAL300000494403	0	38	-2.0	-98.65	348.99	7.77	-90.88
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CN=CC=C21	REAL300000494404	1	36	-2.0	-105.27	325.28	6.42	-98.85
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1[N+](=O)[O-]	REAL300000494405	0	35	-2.0	-114.42	329.49	7.44	-106.98
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1F	REAL300000494406	0	33	-2.0	-111.46	309.38	5.61	-105.85
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300000494407	1	36	-2.0	-98.83	326.90	6.15	-92.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=CC2=CC=CC=C21	REAL300000494408	1	39	-2.0	-115.37	346.77	7.70	-107.67
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C1	REAL300000494409	0	32	-2.0	-104.97	301.95	3.69	-101.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CN=CC=C21	REAL300000494410	0	37	-2.0	-98.64	333.94	5.38	-93.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)=C(Cl)O1	REAL300000494411	0	30	-2.0	-94.74	305.85	4.56	-90.18
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CN=CC=C43)C=C2)CC1	REAL300000494412	1	40	-2.0	-100.90	350.33	7.42	-93.48
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CN=CC=C43)C=C2C1	REAL300000494413	1	40	-2.0	-104.11	349.83	7.44	-96.67
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=CN=CC=C32)C=C(C(=O)[O-])O1	REAL300000494414	0	36	-2.0	-100.42	327.87	5.57	-94.85
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494415	1	43	-2.0	-114.42	374.87	7.83	-106.59
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494416	1	40	-2.0	-115.40	359.41	7.06	-108.34
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C(C)=C1C(=O)[O-]	REAL300000494419	0	34	-2.0	-119.38	313.15	6.66	-112.72
CC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494420	0	37	-2.0	-101.57	336.04	6.05	-95.52
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C(C)=C1C(=O)[O-]	REAL300000494421	0	33	-2.0	-102.96	316.14	5.04	-97.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C(C)=C1C(=O)[O-]	REAL300000494422	1	35	-2.0	-108.95	325.09	6.81	-102.14
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C(C)=C1C(=O)[O-]	REAL300000494423	1	35	-2.0	-104.88	325.09	6.80	-98.08
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C(C)=C1C(=O)[O-]	REAL300000494424	0	34	-2.0	-108.99	326.85	6.99	-102.00
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C(C)=C1C(=O)[O-]	REAL300000494425	0	35	-2.0	-119.99	322.36	6.68	-113.31
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C(C)=C1C(=O)[O-]	REAL300000494427	1	34	-2.0	-112.40	320.76	7.11	-105.29
CC1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494430	0	37	-2.0	-111.36	335.53	6.92	-104.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000494432	0	38	-2.0	-108.84	353.48	8.49	-100.35
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000494434	1	39	-2.0	-110.46	348.82	7.58	-102.88
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494435	0	37	-2.0	-107.17	320.52	4.24	-102.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)S2)C(C)=C1C(=O)[O-]	REAL300000494436	0	31	-2.0	-104.88	318.26	6.12	-98.76
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)=C1C(=O)[O-]	REAL300000494441	0	37	-2.0	-106.68	331.58	6.91	-99.77
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494442	0	42	-2.0	-119.99	362.39	5.47	-114.52
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494445	0	36	-2.0	-102.49	319.20	5.32	-97.17
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000494446	1	34	-2.0	-103.43	336.19	7.38	-96.05
CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494447	0	37	-2.0	-110.02	331.01	6.89	-103.13
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000494448	1	34	-2.0	-102.53	316.98	6.53	-96.00
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494449	0	34	-2.0	-108.36	334.51	7.48	-100.88
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000494450	1	37	-2.0	-108.35	343.35	7.42	-100.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(C)=C1C(=O)[O-]	REAL300000494453	0	37	-2.0	-115.20	330.15	7.79	-107.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000494454	1	34	-2.0	-108.68	321.35	6.92	-101.76
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1	REAL300000494455	1	39	-2.0	-110.90	345.53	6.82	-104.08
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494459	1	39	-2.0	-121.63	344.76	6.79	-114.84
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494461	0	40	-2.0	-124.41	349.51	7.78	-116.63
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1	REAL300000494462	1	43	-2.0	-106.85	380.92	7.99	-98.86
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494463	0	34	-2.0	-110.41	332.97	7.41	-103.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000494464	1	40	-2.0	-109.86	359.80	7.16	-102.70
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494468	0	40	-3.0	-185.47	361.26	6.75	-178.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494468	1	41	-2.0	-106.04	358.39	6.67	-99.37
CC1=CC=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C)=C1C(=O)[O-]	REAL300000494469	0	41	-2.0	-106.62	363.27	8.15	-98.47
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494470	0	34	-2.0	-112.93	328.21	7.71	-105.22
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C(C)=C1C(=O)[O-]	REAL300000494471	0	31	-2.0	-104.70	313.63	6.01	-98.69
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494473	0	38	-2.0	-118.70	332.53	6.19	-112.51
CC1=CC=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000494474	0	40	-2.0	-109.67	346.60	7.41	-102.26
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494475	0	45	-2.0	-118.91	388.28	5.06	-113.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C(C)=C1C(=O)[O-]	REAL300000494476	0	34	-2.0	-107.20	322.71	6.58	-100.62
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000494477	1	34	-2.0	-103.70	338.08	7.43	-96.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494478	0	34	-2.0	-113.12	317.40	6.97	-106.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C(C)=C1C(=O)[O-]	REAL300000494479	1	34	-2.0	-108.61	325.91	7.03	-101.58
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494480	1	36	-2.0	-109.36	332.84	7.07	-102.29
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494481	1	39	-2.0	-108.12	348.36	7.84	-100.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494482	1	36	-2.0	-103.72	344.95	7.46	-96.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C(C)=C1C(=O)[O-]	REAL300000494483	0	31	-2.0	-110.17	296.53	5.39	-104.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000494485	0	36	-2.0	-124.45	323.21	7.79	-116.66
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494486	0	36	-3.0	-175.47	346.18	7.53	-167.94
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494486	1	37	-2.0	-99.67	343.14	7.08	-92.59
CC1=CC=C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494487	0	37	-2.0	-108.33	344.13	7.30	-101.03
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C(C)=C1C(=O)[O-]	REAL300000494490	0	34	-2.0	-108.24	316.52	6.53	-101.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C(C)=C1C(=O)[O-]	REAL300000494491	1	34	-2.0	-108.83	311.02	6.47	-102.36
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C(C)=C1C(=O)[O-]	REAL300000494492	1	34	-2.0	-103.05	317.43	6.54	-96.51
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(C)=C1C(=O)[O-]	REAL300000494499	1	36	-2.0	-100.88	332.51	7.08	-93.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000494502	0	34	-2.0	-111.28	318.47	6.19	-105.09
CC1=CC=C(NS(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494503	0	43	-2.0	-107.75	362.65	7.85	-99.90
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494504	0	38	-2.0	-111.83	349.61	6.71	-105.12
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000494506	0	36	-2.0	-114.65	341.98	8.33	-106.32
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1C(=O)[O-]	REAL300000494507	0	36	-3.0	-177.30	338.59	7.02	-170.28
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=C1C(=O)[O-]	REAL300000494507	1	37	-2.0	-101.89	336.10	6.57	-95.32
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000494508	0	31	-2.0	-103.61	327.49	6.55	-97.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C(C)=C1C(=O)[O-]	REAL300000494510	1	39	-2.0	-108.04	342.88	7.66	-100.38
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C(C)=C1C(=O)[O-]	REAL300000494511	0	34	-2.0	-111.24	316.56	6.52	-104.72
CC1=CC=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1C(=O)[O-]	REAL300000494512	0	43	-2.0	-102.93	375.47	8.44	-94.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C(C)=C1C(=O)[O-]	REAL300000494514	1	38	-2.0	-107.93	340.03	3.22	-104.71
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1C(=O)[O-]	REAL300000494520	0	33	-3.0	-174.49	326.30	5.97	-168.52
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C(C)=C1C(=O)[O-]	REAL300000494521	1	37	-2.0	-107.60	336.02	3.90	-103.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494523	0	40	-2.0	-107.23	347.63	7.77	-99.46
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494524	0	40	-2.0	-110.49	342.22	5.47	-105.02
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494525	1	42	-2.0	-116.19	380.90	2.57	-113.62
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C(C)=CC([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494526	1	42	-2.0	-107.69	366.05	8.39	-99.30
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1	REAL300000494527	1	40	-2.0	-107.20	359.05	7.07	-100.13
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1	REAL300000494528	1	41	-2.0	-111.36	360.72	4.68	-106.68
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C(C)=C1C(=O)[O-]	REAL300000494529	1	39	-2.0	-112.74	358.47	1.37	-111.37
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494531	0	43	-2.0	-122.75	376.42	8.08	-114.67
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C(C)=C1C(=O)[O-]	REAL300000494532	1	38	-2.0	-111.44	338.79	3.19	-108.25
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(C)=C1C(=O)[O-]	REAL300000494535	1	40	-2.0	-114.97	350.19	8.69	-106.28
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=CS1	REAL300000494536	0	37	-2.0	-121.18	344.20	6.70	-114.48
CC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C)=C1C(=O)[O-]	REAL300000494539	0	41	-2.0	-104.99	362.71	7.19	-97.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C(C)=C1C(=O)[O-]	REAL300000494544	0	34	-2.0	-116.52	309.77	6.47	-110.05
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)C(C)=C1C(=O)[O-]	REAL300000494545	0	39	-2.0	-108.90	359.77	5.41	-103.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C(C)=C1C(=O)[O-]	REAL300000494546	1	39	-2.0	-107.96	346.65	6.92	-101.04
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494547	0	40	-2.0	-124.84	357.52	4.97	-119.87
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3C)=C2N=C1	REAL300000494548	0	42	-2.0	-127.77	365.99	7.66	-120.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(Cl)=C1	REAL300000494550	1	37	-2.0	-112.93	339.16	7.63	-105.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C(C)=C1C(=O)[O-]	REAL300000494551	0	38	-2.0	-114.50	349.03	6.68	-107.82
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C(C)=C1C(=O)[O-]	REAL300000494553	1	39	-2.0	-117.24	358.52	1.37	-115.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C([N+](=O)[O-])=C1	REAL300000494555	0	40	-2.0	-119.57	354.72	7.12	-112.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)C(C)=C1C(=O)[O-]	REAL300000494556	1	40	-2.0	-108.03	360.83	3.41	-104.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000494557	1	41	-2.0	-106.27	370.46	5.66	-100.61
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)C(C)=C1C(=O)[O-]	REAL300000494559	1	40	-2.0	-108.98	358.73	6.36	-102.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000494560	1	38	-2.0	-106.62	350.61	6.20	-100.42
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C(C)=C1C(=O)[O-]	REAL300000494561	1	40	-2.0	-117.17	364.98	3.93	-113.24
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1	REAL300000494563	1	42	-2.0	-112.41	380.88	2.57	-109.84
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C(C)=C1C(=O)[O-]	REAL300000494564	1	44	-2.0	-114.73	374.49	10.27	-104.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494565	1	34	-2.0	-105.39	324.15	7.03	-98.36
CC1=CC=C([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C(C)=C1C(=O)[O-]	REAL300000494566	1	46	-2.0	-118.73	390.18	5.74	-112.99
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(F)=C1	REAL300000494567	0	41	-2.0	-123.82	366.25	5.37	-118.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C(C)=C1C(=O)[O-]	REAL300000494568	1	40	-2.0	-120.64	364.98	3.93	-116.71
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)C(C)=C1C(=O)[O-]	REAL300000494569	1	43	-2.0	-112.96	378.82	9.10	-103.86
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1OC	REAL300000494571	0	42	-2.0	-112.58	368.48	5.68	-106.90
CC1=CC=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494573	0	38	-2.0	-110.25	339.95	6.31	-103.94
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494573	1	37	-3.0	-179.20	339.35	6.32	-172.88
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C(C)=C1C(=O)[O-]	REAL300000494574	0	34	-2.0	-118.48	321.72	5.97	-112.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(Br)=C1	REAL300000494575	1	37	-2.0	-112.18	342.52	7.77	-104.41
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C(C)=C1C(=O)[O-]	REAL300000494576	1	39	-2.0	-110.06	345.95	2.56	-107.50
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C)=C1C(=O)[O-]	REAL300000494577	0	41	-2.0	-109.62	355.41	5.74	-103.88
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494578	0	40	-2.0	-113.85	372.50	7.62	-106.23
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000494586	0	34	-2.0	-109.03	309.15	4.09	-104.94
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)C(C)=C1C(=O)[O-]	REAL300000494587	1	39	-2.0	-100.38	348.33	7.84	-92.54
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CN1C	REAL300000494589	1	42	-2.0	-110.55	367.89	4.05	-106.50
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494590	1	37	-2.0	-108.25	336.87	7.68	-100.57
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3C)C=N2)C=C1	REAL300000494592	0	44	-2.0	-110.19	386.57	8.19	-102.00
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)C(C)=C1C(=O)[O-]	REAL300000494596	1	42	-2.0	-111.12	368.20	6.24	-104.88
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494597	0	36	-3.0	-169.97	341.87	6.65	-163.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000494598	1	35	-2.0	-102.01	340.49	7.21	-94.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C(C)=C1C(=O)[O-]	REAL300000494599	1	35	-2.0	-102.67	340.51	7.21	-95.46
CC1=CC=C(NS(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494600	0	43	-2.0	-107.39	363.13	8.22	-99.17
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000494601	1	38	-2.0	-116.79	342.98	6.77	-110.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C2=CC=CN=C12	REAL300000494602	1	43	-2.0	-114.06	369.95	6.18	-107.88
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C(C)=C1C(=O)[O-]	REAL300000494604	0	34	-2.0	-113.53	326.31	6.96	-106.57
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494606	0	40	-2.0	-106.27	361.09	6.87	-99.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C2=CC=CC=C12	REAL300000494607	1	44	-2.0	-117.47	373.63	8.07	-109.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000494608	1	37	-2.0	-109.38	331.00	7.12	-102.26
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494610	0	37	-2.0	-116.67	331.56	7.12	-109.55
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494611	1	37	-2.0	-108.39	326.54	7.23	-101.16
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000494613	0	39	-2.0	-123.27	342.99	8.74	-114.53
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C(C)=C1C(=O)[O-]	REAL300000494614	0	42	-2.0	-113.27	369.57	5.66	-107.61
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)C(C)=C1C(=O)[O-]	REAL300000494615	0	38	-2.0	-107.06	350.87	8.19	-98.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C(C)=C1C(=O)[O-]	REAL300000494616	1	44	-2.0	-122.49	375.99	6.23	-116.26
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494618	0	42	-2.0	-127.98	365.89	7.67	-120.31
CC1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494621	0	34	-2.0	-108.37	324.88	5.92	-102.45
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494621	1	33	-3.0	-176.34	324.37	6.01	-170.33
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1Cl	REAL300000494622	0	37	-2.0	-113.72	346.64	8.30	-105.42
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494623	1	43	-2.0	-119.84	380.84	4.69	-115.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494624	0	36	-2.0	-101.02	345.97	7.64	-93.38
COC1=CC=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000494625	0	41	-2.0	-115.98	358.26	6.96	-109.02
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)C(C)=C1C(=O)[O-]	REAL300000494626	1	42	-2.0	-113.04	354.67	7.78	-105.26
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CS2)C(C)=C1C(=O)[O-]	REAL300000494627	0	31	-2.0	-109.32	316.96	5.95	-103.37
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000494630	0	36	-2.0	-116.77	332.13	7.88	-108.89
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C)=C1C(=O)[O-]	REAL300000494631	0	46	-2.0	-105.93	383.74	8.54	-97.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000494633	0	36	-2.0	-120.32	337.66	7.78	-112.54
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494634	0	43	-2.0	-119.95	384.67	4.90	-115.05
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494635	1	45	-2.0	-121.38	395.03	6.07	-115.31
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)C(C)=C1C(=O)[O-]	REAL300000494638	1	45	-2.0	-121.97	392.33	6.38	-115.59
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494639	0	38	-2.0	-113.80	335.83	4.76	-109.04
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494639	1	38	-2.0	-109.44	329.62	5.59	-103.85
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494640	0	43	-2.0	-107.00	365.28	8.61	-98.39
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C(C)=C1C(=O)[O-]	REAL300000494641	0	37	-2.0	-115.49	343.79	7.31	-108.18
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494642	0	43	-3.0	-189.63	383.55	7.52	-182.11
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494642	1	44	-2.0	-110.05	380.76	7.44	-102.61
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494643	0	39	-3.0	-180.17	360.21	7.41	-172.76
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000494644	0	37	-2.0	-105.33	352.53	6.16	-99.17
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C)=C1C(=O)[O-]	REAL300000494645	0	44	-2.0	-109.17	373.97	8.78	-100.39
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C	REAL300000494646	0	42	-2.0	-123.34	364.84	9.04	-114.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C(C)=C1C(=O)[O-]	REAL300000494647	1	38	-2.0	-104.62	342.05	6.78	-97.84
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C(C)=C1C(=O)[O-]	REAL300000494648	0	34	-2.0	-109.33	319.19	6.75	-102.58
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000494649	0	44	-2.0	-118.47	400.73	5.33	-113.14
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000494650	0	44	-2.0	-109.79	397.86	5.37	-104.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C(C(=O)[O-])O1	REAL300000494651	0	36	-3.0	-171.87	335.74	6.10	-165.77
CC1=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2C)C=C(C(=O)[O-])O1	REAL300000494651	1	37	-2.0	-102.87	333.44	5.62	-97.25
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C(C)=C1C(=O)[O-]	REAL300000494652	0	37	-2.0	-131.69	332.46	5.60	-126.09
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494653	0	40	-2.0	-116.53	364.91	7.10	-109.43
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494654	0	44	-2.0	-120.42	375.79	7.79	-112.63
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000494657	0	36	-2.0	-123.14	338.49	8.57	-114.57
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C(C)=C1C(=O)[O-]	REAL300000494658	1	39	-2.0	-122.10	352.60	6.58	-115.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C2=CC=CC=C12	REAL300000494659	1	47	-2.0	-116.88	395.49	9.00	-107.88
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C(C)=C1C(=O)[O-]	REAL300000494660	0	33	-2.0	-103.34	320.61	5.21	-98.13
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000494663	0	36	-2.0	-126.94	330.69	8.02	-118.92
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494664	0	40	-3.0	-183.91	362.05	6.05	-177.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494664	1	41	-2.0	-105.19	359.05	5.57	-99.62
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000494665	0	41	-2.0	-110.52	365.17	7.51	-103.01
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000494666	0	44	-2.0	-109.91	390.57	7.95	-101.96
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C(C)=C1C(=O)[O-]	REAL300000494667	0	33	-2.0	-103.16	305.69	4.69	-98.47
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)C(C)=C1C(=O)[O-]	REAL300000494669	1	44	-2.0	-109.40	384.52	7.32	-102.08
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494670	0	37	-2.0	-110.67	352.69	6.05	-104.62
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494671	1	42	-2.0	-106.71	361.74	8.75	-97.96
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C(C)=C1C(=O)[O-]	REAL300000494672	1	39	-2.0	-113.16	340.81	6.83	-106.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494673	0	33	-2.0	-104.56	329.77	5.53	-99.03
CC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000494674	0	44	-2.0	-105.28	382.88	7.90	-97.38
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C=N2)C(C)=C1C(=O)[O-]	REAL300000494675	0	34	-2.0	-119.44	308.66	5.48	-113.96
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3C)C=C12	REAL300000494677	1	42	-2.0	-106.85	370.92	6.12	-100.73
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3C)C=C12	REAL300000494678	0	38	-2.0	-102.85	344.35	3.37	-99.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C(C)=C1C(=O)[O-]	REAL300000494679	0	34	-2.0	-101.60	320.54	4.92	-96.68
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C(C)=C1C(=O)[O-]	REAL300000494681	0	34	-2.0	-114.56	316.42	6.52	-108.04
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(F)=C1	REAL300000494682	0	38	-2.0	-114.72	342.26	5.98	-108.74
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494683	0	40	-2.0	-118.95	366.60	8.31	-110.64
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000494684	0	36	-2.0	-116.88	342.46	8.33	-108.55
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=C1C(=O)[O-]	REAL300000494685	0	40	-2.0	-102.40	353.03	7.80	-94.60
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=C1C(=O)[O-]	REAL300000494685	1	39	-3.0	-170.30	353.80	7.78	-162.52
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C(C)=C1C(=O)[O-]	REAL300000494686	0	40	-2.0	-117.51	347.39	6.06	-111.45
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CN1C	REAL300000494687	0	37	-2.0	-120.93	328.18	5.29	-115.64
CC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000494688	0	41	-2.0	-107.16	368.33	7.24	-99.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C(C)=C1C(=O)[O-]	REAL300000494689	0	38	-2.0	-114.13	342.28	6.46	-107.67
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494690	1	43	-2.0	-115.07	380.93	7.99	-107.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000494691	0	37	-2.0	-109.22	330.68	4.95	-104.27
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1	REAL300000494692	1	46	-2.0	-106.53	402.41	8.78	-97.75
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494693	1	41	-2.0	-113.75	359.68	6.12	-107.63
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494694	0	40	-2.0	-118.87	356.27	7.85	-111.02
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C(C)=C1C(=O)[O-]	REAL300000494695	0	37	-2.0	-110.29	349.21	7.47	-102.82
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C(C)=C1C(=O)[O-]	REAL300000494696	1	37	-2.0	-107.07	336.90	7.84	-99.23
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C(C)=C1C(=O)[O-]	REAL300000494697	0	34	-2.0	-111.13	336.33	6.51	-104.62
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000494698	0	44	-2.0	-117.31	380.11	7.87	-109.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C(C)=C1C(=O)[O-]	REAL300000494699	1	39	-2.0	-110.25	340.26	5.71	-104.54
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CC=C1F	REAL300000494700	1	43	-2.0	-105.05	385.47	8.00	-97.05
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494701	0	34	-2.0	-108.29	324.18	7.03	-101.26
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3C)C=C2)=CO1	REAL300000494702	1	43	-2.0	-114.80	380.67	5.47	-109.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000494705	1	38	-2.0	-105.70	348.91	3.25	-102.45
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494706	0	34	-2.0	-107.09	305.00	3.45	-103.64
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494707	1	38	-2.0	-114.06	334.11	5.70	-108.36
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000494709	0	40	-2.0	-115.38	365.98	4.63	-110.75
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000494709	1	39	-3.0	-174.69	362.99	3.50	-171.19
CC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2)C(C)=C1C(=O)[O-]	REAL300000494710	0	34	-2.0	-117.38	309.49	3.93	-113.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C)C(C)=C1C(=O)[O-]	REAL300000494711	0	34	-2.0	-104.11	304.89	4.02	-100.09
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C(F)C=C1F	REAL300000494717	0	40	-2.0	-105.51	369.04	7.15	-98.36
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(F)=C1	REAL300000494718	0	37	-2.0	-116.23	331.53	7.14	-109.09
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)O1	REAL300000494720	0	37	-2.0	-106.01	344.16	5.19	-100.82
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C(C)=C1C(=O)[O-]	REAL300000494721	0	39	-2.0	-127.74	344.58	7.02	-120.72
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C(C)=C1C(=O)[O-]	REAL300000494722	0	40	-2.0	-116.69	371.07	7.07	-109.62
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C(C)=C1C(=O)[O-]	REAL300000494723	0	34	-2.0	-103.39	322.44	6.59	-96.80
CC1=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2C)C=C(C(=O)[O-])S1	REAL300000494724	0	37	-2.0	-104.54	339.86	6.38	-98.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C(C(=O)[O-])S1	REAL300000494724	1	36	-3.0	-175.80	342.42	6.85	-168.95
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C	REAL300000494725	1	43	-2.0	-114.33	369.02	7.72	-106.61
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494726	0	38	-2.0	-113.67	347.25	6.26	-107.41
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000494727	0	36	-2.0	-103.76	335.27	5.62	-98.14
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494728	0	40	-2.0	-118.79	362.81	3.98	-114.81
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3C)C=C21	REAL300000494732	1	45	-2.0	-133.31	383.45	7.46	-125.85
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494733	0	46	-2.0	-110.95	382.38	7.04	-103.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)SC=C1	REAL300000494734	0	34	-2.0	-111.41	312.88	6.22	-105.19
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494735	1	40	-2.0	-109.02	376.13	7.57	-101.45
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C	REAL300000494736	0	43	-2.0	-110.76	363.11	6.29	-104.47
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C	REAL300000494737	1	43	-2.0	-107.55	375.23	7.60	-99.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000494738	1	39	-2.0	-101.43	348.85	7.58	-93.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000494741	1	42	-2.0	-124.43	363.86	4.87	-119.56
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494743	1	38	-2.0	-108.09	340.91	7.56	-100.53
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494745	0	39	-2.0	-110.44	354.31	7.65	-102.79
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494749	0	38	-2.0	-113.54	342.26	6.87	-106.67
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C(C)=C1C(=O)[O-]	REAL300000494755	0	35	-2.0	-107.96	330.92	6.86	-101.10
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3C)C=C2O1	REAL300000494756	1	39	-2.0	-110.01	348.26	4.06	-105.95
CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000494757	0	40	-2.0	-109.37	349.36	5.47	-103.90
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)C(C)=C1C(=O)[O-]	REAL300000494758	0	39	-2.0	-115.71	343.74	2.74	-112.97
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000494760	0	40	-2.0	-114.28	363.64	5.18	-109.10
CC1=CC=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C(C)=C1C(=O)[O-]	REAL300000494761	0	40	-2.0	-118.03	348.42	4.85	-113.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000494762	0	37	-2.0	-114.09	346.00	8.22	-105.87
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=NN1C1=CC=CC=N1	REAL300000494764	0	43	-2.0	-113.92	378.83	7.65	-106.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)C(C)=C1C(=O)[O-]	REAL300000494766	0	38	-2.0	-110.09	361.09	7.69	-102.40
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000494767	1	34	-2.0	-97.56	323.61	6.59	-90.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C(C)=C1C(=O)[O-]	REAL300000494768	1	45	-2.0	-109.46	386.73	8.24	-101.22
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CN1C	REAL300000494770	1	41	-2.0	-114.79	365.42	6.52	-108.27
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494772	0	37	-2.0	-95.39	343.64	7.06	-88.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494772	1	36	-3.0	-165.03	346.13	7.52	-157.51
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000494773	0	37	-2.0	-108.46	335.49	6.93	-101.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000494773	1	36	-3.0	-166.05	337.25	7.01	-159.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)C(C)=C1C(=O)[O-]	REAL300000494774	1	42	-2.0	-104.70	370.59	5.81	-98.89
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C(C)=C1C(=O)[O-]	REAL300000494775	0	41	-2.0	-113.64	369.58	7.67	-105.97
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C(C)=C1C(=O)[O-]	REAL300000494778	0	37	-2.0	-105.43	349.44	4.47	-100.96
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1C(=O)[O-]	REAL300000494779	0	33	-3.0	-168.57	324.99	6.10	-162.47
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C(C)=C1C(=O)[O-]	REAL300000494780	0	43	-2.0	-121.19	369.02	7.66	-113.53
CC1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494781	0	37	-2.0	-104.27	337.91	6.97	-97.30
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494781	1	36	-3.0	-171.67	339.49	7.03	-164.64
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494782	0	39	-3.0	-178.86	358.83	7.66	-171.20
CC1=CC=C(NS(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494782	1	40	-2.0	-102.23	356.40	7.20	-95.03
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)C(C)=C1C(=O)[O-]	REAL300000494783	1	48	-2.0	-108.97	397.04	8.46	-100.51
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CN1	REAL300000494784	1	38	-2.0	-112.28	348.02	4.74	-107.54
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1C(=O)[O-]	REAL300000494785	0	36	-3.0	-166.93	338.54	7.03	-159.90
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=C1C(=O)[O-]	REAL300000494785	1	37	-2.0	-111.55	336.24	6.58	-104.97
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000494786	0	37	-2.0	-104.86	343.47	7.28	-97.58
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)C(C)=C1C(=O)[O-]	REAL300000494787	1	37	-2.0	-108.65	324.65	7.22	-101.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CS1	REAL300000494790	0	37	-2.0	-111.04	351.89	6.08	-104.96
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CC=C1F	REAL300000494791	1	40	-2.0	-104.90	363.61	7.09	-97.81
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000494792	0	36	-2.0	-108.79	329.88	4.96	-103.83
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)C(C)=C1C(=O)[O-]	REAL300000494794	1	42	-2.0	-100.61	362.16	8.70	-91.91
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2C)=CC=C1[O-]	REAL300000494795	1	42	-2.0	-103.33	365.33	3.25	-100.08
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C)=C1C(=O)[O-]	REAL300000494798	0	40	-2.0	-102.87	361.80	8.20	-94.67
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C)=C1C(=O)[O-]	REAL300000494798	1	39	-3.0	-172.17	362.54	8.16	-164.01
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C(C)=C1C(=O)[O-]	REAL300000494801	0	37	-2.0	-108.78	359.90	8.33	-100.45
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494802	1	37	-2.0	-109.00	332.43	7.14	-101.86
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494804	0	40	-2.0	-107.12	362.54	5.84	-101.28
CC1=CC=C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494806	0	37	-2.0	-106.01	342.29	6.99	-99.02
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494806	1	36	-3.0	-169.17	343.90	7.05	-162.12
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494807	0	39	-2.0	-101.36	359.70	7.57	-93.79
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494807	1	38	-3.0	-165.74	361.27	7.63	-158.11
CC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C(C)=C1C(=O)[O-]	REAL300000494808	0	37	-2.0	-113.48	357.59	8.28	-105.20
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494809	0	44	-2.0	-120.63	387.59	6.84	-113.79
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494810	1	46	-2.0	-114.65	392.51	8.38	-106.27
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000494812	0	37	-2.0	-108.48	336.45	7.17	-101.31
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C(C)=C1C(=O)[O-]	REAL300000494813	0	40	-2.0	-119.58	356.11	9.44	-110.14
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(C)=C1C(=O)[O-]	REAL300000494814	1	40	-2.0	-120.19	345.32	8.72	-111.47
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C(C)=C1C(=O)[O-]	REAL300000494815	0	36	-2.0	-109.63	336.26	5.89	-103.74
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(C)C([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494816	0	39	-2.0	-108.06	361.98	8.14	-99.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000494817	1	38	-2.0	-101.63	360.93	7.59	-94.04
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000494818	0	41	-2.0	-112.13	382.12	5.48	-106.65
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=C1C(=O)[O-]	REAL300000494820	0	37	-3.0	-178.29	342.82	4.67	-173.62
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C)=C1C(=O)[O-]	REAL300000494820	1	37	-3.0	-184.79	336.60	5.51	-179.28
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494822	0	39	-2.0	-112.83	368.59	5.81	-107.02
CC1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)=C1C(=O)[O-]	REAL300000494823	0	40	-2.0	-102.19	354.08	7.64	-94.55
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1Cl	REAL300000494824	1	41	-2.0	-111.93	373.82	5.93	-106.00
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)O1	REAL300000494825	0	40	-2.0	-106.14	366.02	6.12	-100.02
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494826	0	36	-2.0	-101.56	339.24	7.14	-94.42
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494827	0	39	-2.0	-121.03	360.48	7.46	-113.57
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)C(C)=C1C(=O)[O-]	REAL300000494828	1	46	-2.0	-111.12	394.98	7.94	-103.18
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2C)C(C)=C1C(=O)[O-]	REAL300000494829	1	39	-2.0	-102.42	360.80	8.21	-94.21
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C(C)=C1C(=O)[O-]	REAL300000494830	0	37	-2.0	-121.18	347.04	7.11	-114.07
COC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)SC=C1	REAL300000494831	0	35	-2.0	-119.28	326.82	4.68	-114.60
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494832	1	43	-2.0	-119.76	386.45	4.82	-114.94
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)OC2=CC=C(F)C=C12	REAL300000494833	0	40	-2.0	-111.78	361.40	7.50	-104.28
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(C)=C1C(=O)[O-]	REAL300000494834	0	37	-2.0	-113.97	334.42	6.79	-107.18
CC1=CC=C([N-]S(=O)(=O)C2=C3N=C(C)C=CC3=CC=C2)C(C)=C1C(=O)[O-]	REAL300000494835	0	42	-2.0	-129.59	366.16	7.63	-121.96
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C(C)=C1C(=O)[O-]	REAL300000494837	1	40	-2.0	-111.81	359.68	9.14	-102.67
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CC(F)=C1F	REAL300000494838	1	40	-2.0	-100.17	370.23	7.14	-93.03
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)SC2=CC=CC(F)=C12	REAL300000494839	0	40	-2.0	-114.72	361.76	8.61	-106.11
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C(C)=CC([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494840	0	39	-2.0	-109.54	358.63	7.78	-101.76
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494841	0	36	-2.0	-116.58	337.86	5.15	-111.43
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3C)C=NC2=C1Cl	REAL300000494843	0	39	-2.0	-102.01	365.61	6.36	-95.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C(C)=C1C(=O)[O-]	REAL300000494844	1	36	-2.0	-104.43	352.55	6.32	-98.11
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C(C)=C1C(=O)[O-]	REAL300000494845	0	34	-2.0	-102.17	320.32	5.30	-96.87
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C(C)=C1C(=O)[O-]	REAL300000494846	0	34	-2.0	-114.64	324.83	5.23	-109.41
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494847	1	42	-2.0	-115.00	363.60	5.01	-109.99
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C(C)=C1C(=O)[O-]	REAL300000494848	0	35	-2.0	-116.94	320.11	5.15	-111.79
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C	REAL300000494849	0	42	-2.0	-124.89	354.96	9.23	-115.66
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C(C)=C1C(=O)[O-]	REAL300000494850	0	35	-2.0	-102.89	326.48	4.23	-98.66
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000494851	0	33	-2.0	-108.02	312.79	4.24	-103.78
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000494852	1	40	-2.0	-104.93	371.59	7.45	-97.48
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)C(C)=C1C(=O)[O-]	REAL300000494853	1	39	-2.0	-101.90	352.06	7.88	-94.02
CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C)=C1C(=O)[O-]	REAL300000494854	0	40	-2.0	-112.23	341.37	7.58	-104.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000494856	1	41	-2.0	-129.51	369.23	4.26	-125.25
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000494857	0	40	-2.0	-112.60	356.32	7.55	-105.05
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C)=C1C(=O)[O-]	REAL300000494858	0	40	-2.0	-107.01	346.62	7.69	-99.32
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494859	0	40	-2.0	-119.53	363.59	7.50	-112.03
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C(C)=C1C(=O)[O-]	REAL300000494860	0	35	-2.0	-108.98	333.56	7.08	-101.90
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C(C)N1	REAL300000494861	1	47	-2.0	-111.42	400.28	7.09	-104.33
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000494862	0	37	-2.0	-111.14	336.84	7.17	-103.97
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CC=C1[N+](=O)[O-]	REAL300000494863	0	40	-2.0	-101.51	359.80	7.16	-94.35
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000494864	0	43	-2.0	-110.84	364.59	7.97	-102.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C(C)=C1C(=O)[O-]	REAL300000494865	1	40	-2.0	-121.32	362.01	9.22	-112.10
CC1=CC=C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494866	0	39	-2.0	-117.37	357.57	7.98	-109.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494866	1	38	-3.0	-178.49	359.03	8.05	-170.44
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C(C)=C1C(=O)[O-]	REAL300000494867	0	37	-2.0	-108.87	349.60	7.89	-100.98
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=C1C(=O)[O-]	REAL300000494869	0	36	-3.0	-168.77	344.82	7.09	-161.68
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000494870	1	39	-2.0	-102.46	357.66	7.73	-94.73
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494871	0	40	-2.0	-116.30	366.58	8.29	-108.01
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494872	0	33	-2.0	-109.18	323.56	5.84	-103.34
CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C(C)=C1C(=O)[O-]	REAL300000494873	0	40	-2.0	-118.74	350.09	6.77	-111.97
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000494874	0	39	-2.0	-103.61	355.01	5.24	-98.37
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494875	0	33	-2.0	-101.47	329.69	5.58	-95.89
CC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C)=C1C(=O)[O-]	REAL300000494876	0	43	-2.0	-117.32	365.38	8.32	-109.00
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494877	0	39	-3.0	-178.68	354.57	7.55	-171.13
CC1=CC=C(NS(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494877	1	40	-2.0	-103.40	355.73	7.22	-96.18
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494878	0	39	-3.0	-177.39	364.86	8.10	-169.29
CC1=CC=C(NS(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494878	1	40	-2.0	-100.23	361.84	7.64	-92.59
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494879	0	39	-3.0	-189.25	358.12	7.65	-181.60
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494879	1	40	-2.0	-132.89	355.99	7.21	-125.68
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C(C)=C1C(=O)[O-]	REAL300000494880	0	34	-2.0	-100.13	331.89	6.87	-93.26
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494881	1	42	-2.0	-121.94	367.36	7.67	-114.27
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000494882	0	41	-2.0	-107.60	364.35	4.00	-103.60
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C([N+](=O)[O-])=N1	REAL300000494883	0	39	-2.0	-117.70	354.93	7.23	-110.47
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1Br	REAL300000494884	1	37	-2.0	-113.35	338.96	7.68	-105.67
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000494885	0	43	-2.0	-110.13	365.73	8.09	-102.04
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000494886	0	45	-2.0	-109.24	381.43	4.94	-104.30
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1C#N	REAL300000494889	0	38	-2.0	-121.06	341.52	7.19	-113.87
CC1=CC=C(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)C(C)=C1C(=O)[O-]	REAL300000494890	0	40	-2.0	-94.91	350.09	6.46	-88.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C(C)=C1C(=O)[O-]	REAL300000494891	0	43	-2.0	-111.69	377.64	8.04	-103.65
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494892	0	40	-2.0	-120.12	351.76	7.16	-112.96
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000494893	0	42	-2.0	-107.62	362.65	4.15	-103.47
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1F	REAL300000494895	0	37	-2.0	-117.57	330.08	7.12	-110.45
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000494896	1	40	-2.0	-105.42	353.31	4.03	-101.39
CC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C(C)=C1C(=O)[O-]	REAL300000494897	0	41	-2.0	-121.60	350.43	6.42	-115.18
COC1=CC=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2C)C=C1CC(=O)[O-]	REAL300000494898	0	44	-2.0	-119.23	381.50	7.02	-112.21
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494900	0	39	-2.0	-114.37	343.92	3.38	-110.99
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1Cl	REAL300000494901	0	37	-2.0	-114.12	336.14	7.56	-106.56
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C(C)O1	REAL300000494903	0	37	-2.0	-109.61	327.60	5.97	-103.64
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C(C)=C1C(=O)[O-]	REAL300000494904	0	40	-2.0	-117.52	350.52	4.07	-113.45
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494906	1	43	-2.0	-108.17	387.67	8.05	-100.12
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494907	1	41	-2.0	-110.80	351.23	6.43	-104.37
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C(C(=O)OC)O1	REAL300000494908	0	43	-2.0	-105.60	379.62	6.74	-98.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)O1	REAL300000494910	0	34	-2.0	-111.20	309.25	5.21	-105.99
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494911	0	37	-2.0	-112.21	336.48	6.76	-105.45
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)C(C)=C1C(=O)[O-]	REAL300000494913	0	42	-2.0	-127.95	357.90	8.16	-119.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C(C)=C1C(=O)[O-]	REAL300000494914	1	40	-2.0	-119.77	353.89	8.41	-111.36
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494915	0	40	-2.0	-115.58	356.25	7.85	-107.73
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000494916	0	36	-2.0	-99.21	337.01	7.11	-92.10
CC1=CC=C(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C)=C1C(=O)[O-]	REAL300000494917	0	40	-2.0	-96.61	355.32	7.69	-88.92
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C)=C1C(=O)[O-]	REAL300000494917	1	39	-3.0	-172.15	359.44	8.13	-164.02
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000494918	1	34	-2.0	-103.44	327.42	7.00	-96.44
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C(C)O1	REAL300000494919	0	40	-2.0	-105.82	362.49	5.95	-99.87
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000494920	0	33	-2.0	-103.38	316.04	5.09	-98.29
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000494921	0	40	-2.0	-109.28	362.72	7.86	-101.42
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)N=C1C	REAL300000494922	0	40	-2.0	-120.87	350.26	6.18	-114.69
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494923	1	37	-2.0	-112.69	342.55	7.77	-104.92
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494924	0	37	-2.0	-113.49	339.19	7.62	-105.87
CCN1C=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000494925	0	41	-2.0	-112.23	361.32	7.19	-105.04
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000494925	1	40	-3.0	-180.64	360.69	7.16	-173.48
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494926	0	37	-2.0	-110.14	344.50	5.14	-105.00
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494927	0	46	-2.0	-111.59	384.08	6.95	-104.64
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CN1C	REAL300000494928	1	44	-2.0	-114.35	387.28	7.44	-106.91
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494929	1	42	-2.0	-107.50	363.97	8.34	-99.16
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494930	0	34	-2.0	-116.20	320.67	7.20	-109.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(Cl)=N1	REAL300000494931	0	36	-2.0	-111.29	334.16	5.71	-105.58
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494932	0	39	-2.0	-110.42	353.66	6.59	-103.83
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1Cl	REAL300000494933	1	38	-2.0	-108.39	359.49	7.88	-100.51
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000494934	0	36	-2.0	-107.68	334.27	4.99	-102.69
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3C)C=C12	REAL300000494935	0	41	-2.0	-102.16	365.86	4.12	-98.04
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000494936	0	36	-2.0	-106.41	342.40	6.73	-99.68
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CN=C1Cl	REAL300000494938	0	37	-2.0	-101.79	345.47	4.37	-97.42
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3C)=CC=C21	REAL300000494939	1	43	-2.0	-108.91	380.54	7.37	-101.54
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C(C)=C1C(=O)[O-]	REAL300000494940	0	36	-2.0	-101.55	339.31	5.63	-95.92
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494941	1	40	-2.0	-108.65	365.81	7.12	-101.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)C(C)=C1C(=O)[O-]	REAL300000494942	1	37	-2.0	-110.29	350.88	3.51	-106.78
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494943	0	49	-2.0	-110.61	403.86	7.87	-102.74
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494945	0	35	-2.0	-105.16	338.51	7.36	-97.80
CC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C(C)=C1C(=O)[O-]	REAL300000494946	0	37	-2.0	-120.52	332.54	6.71	-113.81
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494947	0	39	-2.0	-108.34	354.24	5.26	-103.08
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494948	0	45	-2.0	-120.86	394.40	6.51	-114.35
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C(C)=C1C(=O)[O-]	REAL300000494949	0	31	-2.0	-105.77	309.00	5.13	-100.64
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C(C2=CC=CC=C2)O1	REAL300000494950	0	43	-2.0	-118.90	378.63	5.47	-113.43
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000494951	1	42	-2.0	-109.12	364.46	8.37	-100.75
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494952	1	44	-2.0	-118.84	368.16	8.16	-110.68
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C(C)=C1C(=O)[O-]	REAL300000494953	0	34	-2.0	-108.66	325.70	6.81	-101.85
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494957	1	46	-2.0	-114.09	396.73	8.76	-105.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494958	0	34	-2.0	-104.72	339.82	7.51	-97.21
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494959	0	34	-2.0	-105.24	333.59	6.61	-98.63
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(OC)=C1	REAL300000494960	0	44	-2.0	-113.08	387.61	6.85	-106.23
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000494961	1	37	-2.0	-117.61	338.79	7.34	-110.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C(C)=C1C(=O)[O-]	REAL300000494962	0	37	-2.0	-107.22	348.85	7.47	-99.75
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494963	1	37	-2.0	-109.04	347.32	7.68	-101.36
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C(C)=C1C(=O)[O-]	REAL300000494964	0	37	-2.0	-108.54	342.52	5.28	-103.26
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494965	1	38	-2.0	-118.07	340.35	7.47	-110.60
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C(C)=C1C(=O)[O-]	REAL300000494966	1	37	-2.0	-114.94	350.88	3.51	-111.43
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000494968	0	42	-2.0	-106.71	373.72	7.68	-99.03
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(C)=CS1	REAL300000494970	0	40	-2.0	-121.30	359.81	7.57	-113.73
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CC=C1F	REAL300000494971	1	38	-2.0	-104.95	340.01	5.79	-99.16
CC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C(C)=C1C(=O)[O-]	REAL300000494972	0	33	-2.0	-118.35	317.31	6.80	-111.55
CC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C)C(C)=C1C(=O)[O-]	REAL300000494973	0	33	-2.0	-99.19	297.69	2.86	-96.33
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C(C)=C1C(=O)[O-]	REAL300000494974	1	39	-2.0	-106.94	348.95	5.52	-101.42
CC1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494975	0	33	-2.0	-103.06	325.42	6.17	-96.89
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000494978	1	40	-2.0	-100.89	368.14	7.23	-93.66
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C(C)=C1C(=O)[O-]	REAL300000494979	0	38	-2.0	-113.55	332.63	5.83	-107.72
CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C(C)=C1C(=O)[O-]	REAL300000494980	0	35	-2.0	-108.23	338.52	7.37	-100.86
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C(C)=C1C(=O)[O-]	REAL300000494981	0	37	-2.0	-108.72	348.55	5.45	-103.27
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494983	0	42	-2.0	-125.26	358.24	6.92	-118.34
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2F)C(C)=C1C(=O)[O-]	REAL300000494985	0	37	-2.0	-116.26	323.97	7.35	-108.91
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C(C)=C1C(=O)[O-]	REAL300000494987	0	38	-2.0	-125.15	343.04	6.47	-118.68
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494988	0	47	-2.0	-110.72	394.80	7.86	-102.86
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)C(C)=C1C(=O)[O-]	REAL300000494989	0	42	-2.0	-127.74	362.54	7.57	-120.17
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C(C)=C1C(=O)[O-]	REAL300000494991	1	38	-2.0	-115.15	355.87	3.69	-111.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C(C)=C1C(=O)[O-]	REAL300000494992	0	35	-2.0	-118.62	329.04	4.70	-113.92
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000494993	0	37	-2.0	-108.85	328.86	3.87	-104.98
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1OC	REAL300000494994	1	44	-2.0	-108.13	386.36	7.12	-101.01
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000494998	0	40	-2.0	-112.05	354.52	7.61	-104.44
CC1=CC=C(NS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000494999	0	40	-2.0	-103.65	360.94	7.83	-95.82
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)C(C)=C1C(=O)[O-]	REAL300000495000	1	44	-2.0	-111.86	375.01	6.25	-105.61
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495001	0	43	-2.0	-125.24	371.37	8.71	-116.53
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495002	0	42	-2.0	-110.86	352.18	4.48	-106.38
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)C(C)=C1C(=O)[O-]	REAL300000495003	0	40	-2.0	-119.38	365.48	7.96	-111.42
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000495005	0	37	-2.0	-115.37	349.22	3.91	-111.46
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000495005	1	36	-3.0	-173.91	345.92	2.77	-171.14
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000495006	1	41	-2.0	-111.43	365.14	5.41	-106.02
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1OC	REAL300000495007	0	42	-2.0	-109.96	376.08	6.17	-103.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000495008	1	38	-2.0	-107.76	349.75	6.06	-101.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000495009	1	37	-2.0	-101.63	348.60	7.46	-94.17
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C(C)=C1C(=O)[O-]	REAL300000495010	0	39	-2.0	-114.80	361.37	2.00	-112.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C(C)=C1C(=O)[O-]	REAL300000495011	1	38	-2.0	-117.70	334.36	7.67	-110.03
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C(C)=C1C(=O)[O-]	REAL300000495013	0	34	-2.0	-106.13	334.48	7.48	-98.65
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(N)=NO1	REAL300000495015	0	35	-2.0	-102.41	312.15	3.77	-98.64
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C(C)=C1C(=O)[O-]	REAL300000495016	0	34	-2.0	-104.27	334.29	7.79	-96.48
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495017	0	38	-2.0	-114.66	349.64	6.71	-107.95
CC1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000495018	1	35	-2.0	-107.30	332.12	5.17	-102.13
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495021	1	41	-2.0	-113.62	349.62	6.46	-107.16
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C(C)=C1C(=O)[O-]	REAL300000495024	0	32	-2.0	-102.94	317.17	5.95	-96.99
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000495025	1	36	-2.0	-109.24	321.20	5.22	-104.02
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C(C)=C1C(=O)[O-]	REAL300000495026	0	39	-2.0	-111.96	345.45	6.78	-105.18
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(F)=C1	REAL300000495027	0	40	-2.0	-110.71	364.87	7.13	-103.58
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000495028	1	40	-2.0	-106.21	363.59	7.10	-99.11
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495029	0	42	-2.0	-120.66	380.79	8.25	-112.41
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CC=C1C#N	REAL300000495030	1	38	-2.0	-104.68	344.25	7.30	-97.38
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000495031	0	33	-2.0	-98.23	322.36	5.08	-93.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(F)=C1	REAL300000495033	0	38	-2.0	-113.79	339.60	5.76	-108.03
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000495034	0	42	-2.0	-123.54	365.03	9.59	-113.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C(C)=C1C(=O)[O-]	REAL300000495038	1	44	-2.0	-116.59	378.48	9.83	-106.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)N(C)N=C1	REAL300000495040	0	37	-2.0	-104.83	321.48	4.86	-99.97
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495041	0	43	-2.0	-115.97	386.77	8.03	-107.94
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C(C)=C1C(=O)[O-]	REAL300000495043	0	32	-2.0	-103.83	308.55	4.94	-98.89
CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C(C)=C1C(=O)[O-]	REAL300000495044	1	31	-2.0	-108.29	295.38	5.31	-102.98
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495045	0	45	-2.0	-120.87	387.98	5.91	-114.96
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000495046	0	40	-2.0	-106.05	346.75	7.38	-98.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000495047	1	37	-2.0	-105.49	331.78	3.08	-102.41
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C(C)=C1C(=O)[O-]	REAL300000495048	0	34	-2.0	-111.23	326.88	6.98	-104.25
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495051	0	43	-2.0	-113.74	382.17	9.17	-104.57
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)C(C)=C1C(=O)[O-]	REAL300000495052	0	43	-2.0	-113.28	378.00	8.88	-104.40
CC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C(C)=C1C(=O)[O-]	REAL300000495053	0	37	-2.0	-113.50	341.16	7.76	-105.74
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495055	0	40	-2.0	-124.63	365.37	8.44	-116.19
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)N(C)N=C1	REAL300000495056	0	43	-2.0	-112.07	375.71	6.40	-105.67
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C(C)=C1C(=O)[O-]	REAL300000495058	0	45	-2.0	-123.82	382.00	7.63	-116.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)C(C)=C1C(=O)[O-]	REAL300000495059	1	38	-2.0	-101.22	360.95	7.59	-93.63
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C(C)=C1C(=O)[O-]	REAL300000495060	0	37	-2.0	-116.21	330.87	5.04	-111.17
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495062	1	41	-2.0	-114.13	355.97	6.63	-107.50
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C(C)=C1C(=O)[O-]	REAL300000495063	0	34	-2.0	-112.70	326.64	7.25	-105.45
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3C)C=C2C=C1	REAL300000495065	1	43	-2.0	-114.52	371.54	9.34	-105.18
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C(C)=C1C(=O)[O-]	REAL300000495066	0	31	-2.0	-110.12	312.63	5.84	-104.28
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495067	0	34	-2.0	-110.30	318.22	6.05	-104.25
CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C(C)=C1C(=O)[O-]	REAL300000495069	0	31	-2.0	-107.60	302.93	3.20	-104.40
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C(C)=C1C(=O)[O-]	REAL300000495070	0	39	-2.0	-119.25	358.78	7.46	-111.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C(C)=C1C(=O)[O-]	REAL300000495071	0	33	-2.0	-106.80	311.18	4.53	-102.27
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)C(C)=C1C(=O)[O-]	REAL300000495072	0	43	-2.0	-106.54	369.42	5.46	-101.08
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000495073	1	43	-2.0	-105.92	373.44	4.95	-100.97
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(C)=C1C(=O)[O-]	REAL300000495076	0	37	-2.0	-108.20	340.83	6.86	-101.34
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C(C)=C1C(=O)[O-]	REAL300000495077	0	37	-2.0	-113.93	355.91	8.46	-105.47
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495078	0	39	-2.0	-120.83	345.42	5.99	-114.84
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495079	0	33	-2.0	-104.54	313.14	4.69	-99.85
CC1=CC=C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C(C)=C1C(=O)[O-]	REAL300000495081	0	38	-2.0	-101.18	347.27	5.93	-95.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C(C)=C1C(=O)[O-]	REAL300000495081	1	38	-2.0	-108.30	353.48	5.10	-103.20
CC1=CC=C([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C(C)=C1C(=O)[O-]	REAL300000495082	0	40	-2.0	-106.27	360.73	7.79	-98.48
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C(C)=C1C(=O)[O-]	REAL300000495085	0	31	-2.0	-112.22	302.93	5.43	-106.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C(C)=C1C(=O)[O-]	REAL300000495087	0	40	-2.0	-124.44	365.09	4.84	-119.60
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C(C)=C1C(=O)[O-]	REAL300000495088	0	37	-2.0	-111.61	343.28	5.24	-106.37
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C(C)=C1C(=O)[O-]	REAL300000495089	1	43	-2.0	-111.22	369.11	8.01	-103.21
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000495090	1	35	-2.0	-102.11	330.98	6.83	-95.28
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C([N+](=O)[O-])C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000495093	0	39	-2.0	-104.15	357.03	7.76	-96.39
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(C)=C1C(=O)[O-]	REAL300000495094	0	40	-2.0	-107.36	349.55	7.33	-100.03
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C(C)=C1C(=O)[O-]	REAL300000495095	0	35	-2.0	-110.22	337.50	5.69	-104.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000495096	0	38	-3.0	-192.51	356.46	8.81	-183.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C(F)C=C1C	REAL300000495099	0	43	-2.0	-111.12	380.90	7.65	-103.47
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C(C)=C1C(=O)[O-]	REAL300000495100	0	34	-2.0	-103.16	337.23	6.59	-96.57
CC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C(C)=C1C(=O)[O-]	REAL300000495101	0	39	-2.0	-116.62	341.26	3.31	-113.31
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000495102	0	37	-2.0	-112.60	334.37	7.04	-105.56
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CN=C1C	REAL300000495103	0	42	-2.0	-104.20	370.88	5.74	-98.46
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000495104	0	35	-2.0	-101.36	327.67	5.27	-96.09
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)C(C)=C1C(=O)[O-]	REAL300000495105	1	36	-2.0	-102.70	331.82	5.78	-96.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C(C)=C1C(=O)[O-]	REAL300000495108	1	36	-2.0	-102.31	344.37	6.27	-96.04
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=NN1C	REAL300000495112	0	37	-2.0	-109.50	324.93	4.63	-104.87
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495114	1	47	-2.0	-123.68	396.56	7.24	-116.44
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495115	0	37	-2.0	-110.00	328.03	4.75	-105.25
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495116	1	41	-2.0	-109.17	376.42	6.64	-102.53
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C(C)=C1C(=O)[O-]	REAL300000495117	0	34	-2.0	-102.77	320.14	4.99	-97.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C(C)=C1C(=O)[O-]	REAL300000495119	1	39	-2.0	-109.43	350.70	3.59	-105.84
CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C(C)=C1C(=O)[O-]	REAL300000495121	0	34	-2.0	-108.71	320.27	3.93	-104.78
CC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C(C)=C1C(=O)[O-]	REAL300000495122	0	40	-2.0	-105.78	350.92	6.32	-99.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(N(C)C)C=CC=C23)C(C)=C1C(=O)[O-]	REAL300000495123	1	48	-2.0	-116.25	398.74	8.57	-107.68
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C(C)=C1C(=O)[O-]	REAL300000495125	1	36	-2.0	-109.01	352.78	6.32	-102.69
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1Cl	REAL300000495126	0	42	-2.0	-114.16	378.02	6.06	-108.10
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C(C)=C1C(=O)[O-]	REAL300000495127	0	42	-2.0	-102.63	375.76	4.97	-97.66
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C(C)=C1C(=O)[O-]	REAL300000495129	0	37	-2.0	-107.82	341.84	3.97	-103.85
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000495130	1	38	-2.0	-105.63	349.81	6.27	-99.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C(C)=C1C(=O)[O-]	REAL300000495131	0	38	-2.0	-119.82	356.23	3.03	-116.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1C(=O)[O-]	REAL300000495132	0	36	-3.0	-188.41	336.36	7.00	-181.41
CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C)=C1C(=O)[O-]	REAL300000495132	1	37	-2.0	-132.56	334.58	6.54	-126.02
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C(C)=C1C(=O)[O-]	REAL300000495133	0	31	-2.0	-116.40	304.73	4.34	-112.06
CC1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C(C)=C1C(=O)[O-]	REAL300000495134	0	36	-2.0	-122.32	335.82	5.83	-116.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C(C)=C1C(=O)[O-]	REAL300000495135	1	39	-2.0	-114.40	340.42	6.24	-108.16
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C(C)=C1C(=O)[O-]	REAL300000495137	0	40	-2.0	-120.03	355.16	8.70	-111.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C(C)=C1C(=O)[O-]	REAL300000495138	0	37	-2.0	-115.75	344.75	5.46	-110.29
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495139	0	40	-2.0	-118.46	373.09	7.92	-110.54
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)C(C)=C1C(=O)[O-]	REAL300000495141	1	37	-2.0	-112.90	331.49	7.87	-105.03
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C(C)=C1C(=O)[O-]	REAL300000495142	0	38	-2.0	-109.16	348.68	6.52	-102.64
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C(C)=C1C(=O)[O-]	REAL300000495143	0	39	-2.0	-121.67	340.93	6.22	-115.45
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000495144	1	43	-2.0	-113.79	386.68	7.89	-105.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C2=CC=CC(C)=C2S1	REAL300000495145	1	43	-2.0	-114.45	375.46	9.43	-105.02
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(F)=C1	REAL300000495151	0	37	-2.0	-118.46	334.18	7.37	-111.09
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C(C)=C1C(=O)[O-]	REAL300000495152	0	33	-2.0	-104.23	329.30	5.60	-98.63
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000495153	0	34	-2.0	-105.93	328.19	4.55	-101.38
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C(C)=C1C(=O)[O-]	REAL300000495154	1	39	-2.0	-111.28	348.47	4.86	-106.42
CC1=CC=C(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000495156	0	40	-2.0	-103.08	352.26	7.45	-95.63
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000495156	1	39	-3.0	-172.98	354.07	7.54	-165.44
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495158	0	38	-2.0	-114.73	339.31	6.24	-108.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C(C)=C1C(=O)[O-]	REAL300000495159	1	37	-2.0	-102.33	343.89	5.50	-96.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300000495160	1	42	-2.0	-110.25	367.09	8.24	-102.01
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495161	0	50	-2.0	-120.26	409.08	8.51	-111.75
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1Cl	REAL300000495163	1	37	-2.0	-102.49	347.52	3.63	-98.86
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495164	0	33	-2.0	-102.42	301.57	4.36	-98.06
CC1=CC=C([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000495165	1	38	-2.0	-107.36	354.69	4.56	-102.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000495167	1	40	-2.0	-120.80	352.36	7.40	-113.40
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495168	0	43	-2.0	-116.96	385.17	7.75	-109.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C([N+](=O)[O-])S1	REAL300000495169	0	36	-2.0	-118.28	339.23	7.60	-110.68
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C(C)=C1C(=O)[O-]	REAL300000495171	1	37	-2.0	-106.46	346.27	4.59	-101.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C(C)=C1C(=O)[O-]	REAL300000495172	0	33	-2.0	-114.33	304.77	4.57	-109.76
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C(C)=C1C(=O)[O-]	REAL300000495175	1	33	-2.0	-102.18	305.68	4.56	-97.62
CC1=CC=C([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)C(C)=C1C(=O)[O-]	REAL300000495177	0	36	-2.0	-109.89	355.21	6.38	-103.51
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C(C)=C1C(=O)[O-]	REAL300000495178	0	32	-2.0	-115.34	314.68	5.80	-109.54
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495179	0	41	-2.0	-115.51	371.94	8.16	-107.35
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000495182	1	34	-2.0	-103.13	326.87	6.98	-96.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C(C)=C1C(=O)[O-]	REAL300000495183	0	43	-2.0	-118.99	365.94	6.75	-112.24
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C(C)=C1C(=O)[O-]	REAL300000495184	1	41	-2.0	-116.29	369.71	4.26	-112.03
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C(C)=C1C(=O)[O-]	REAL300000495185	0	42	-2.0	-121.07	356.47	7.60	-113.47
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495186	0	44	-2.0	-111.90	377.46	5.36	-106.54
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(F)=C1	REAL300000495187	0	43	-2.0	-110.28	386.73	8.06	-102.22
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495193	1	41	-2.0	-122.25	360.54	3.84	-118.41
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)N(C)N=C1	REAL300000495196	0	40	-2.0	-111.59	353.85	5.47	-106.12
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2C)C(C)=C1C(=O)[O-]	REAL300000495198	1	39	-2.0	-98.66	360.01	8.25	-90.41
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)N1C	REAL300000495201	0	37	-2.0	-109.40	324.01	5.37	-104.03
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1F	REAL300000495202	0	40	-2.0	-113.12	369.44	7.14	-105.98
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495203	1	47	-2.0	-114.61	394.76	8.07	-106.54
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C(C)=C1C(=O)[O-]	REAL300000495206	0	47	-2.0	-108.55	405.63	8.72	-99.83
CC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])C=C(C)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000495207	0	39	-2.0	-115.97	352.47	8.52	-107.45
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=CN1CC1CC1	REAL300000495208	0	47	-2.0	-121.59	403.32	8.36	-113.23
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)O1	REAL300000495209	0	40	-2.0	-106.70	362.09	5.76	-100.94
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C)C(C(=O)[O-])=C3C)C=C2C1	REAL300000495210	1	45	-2.0	-117.65	388.39	6.91	-110.74
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C(C)=C1C(=O)[O-]	REAL300000495211	0	37	-2.0	-108.62	344.01	5.91	-102.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)C(C)=C1C(=O)[O-]	REAL300000495212	1	42	-2.0	-108.28	367.94	8.75	-99.53
CC1=CC=C(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000495213	0	43	-2.0	-117.72	371.63	9.02	-108.70
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000495213	1	42	-3.0	-190.93	373.48	9.08	-181.85
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C(C)=C1C(=O)[O-]	REAL300000495214	0	37	-2.0	-98.83	345.87	5.03	-93.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C(C)=C1C(=O)[O-]	REAL300000495215	0	33	-2.0	-107.45	321.65	5.01	-102.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C(C)=C1C(=O)[O-]	REAL300000495216	1	44	-2.0	-122.90	370.75	9.80	-113.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(F)=C1F	REAL300000495218	0	37	-2.0	-114.65	336.73	7.17	-107.48
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)OC=C1	REAL300000495219	0	37	-2.0	-118.41	336.78	5.85	-112.56
CC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000495221	0	36	-2.0	-124.09	332.63	5.29	-118.80
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(C)=N1	REAL300000495222	0	46	-2.0	-109.56	392.57	7.15	-102.41
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1C(=O)[O-]	REAL300000495224	0	35	-3.0	-179.12	329.29	5.09	-174.03
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495225	0	38	-2.0	-110.57	334.41	6.43	-104.14
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C(C)=C1C(=O)[O-]	REAL300000495227	1	46	-2.0	-108.96	382.87	8.65	-100.31
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C(C)=C1C(=O)[O-]	REAL300000495228	1	35	-2.0	-103.07	331.87	6.86	-96.21
CC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000495229	0	37	-2.0	-106.59	337.79	5.02	-101.57
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C(C)=C1C(=O)[O-]	REAL300000495230	0	36	-2.0	-123.02	327.44	5.59	-117.43
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C(C)=C1C(=O)[O-]	REAL300000495230	1	36	-2.0	-110.53	327.54	5.46	-105.07
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C(C)=C1C(=O)[O-]	REAL300000495231	0	38	-2.0	-119.05	338.39	6.36	-112.69
CC1=CC=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C(C)=C1C(=O)[O-]	REAL300000495232	0	44	-2.0	-108.56	365.65	6.50	-102.06
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C(C)=C1C(=O)[O-]	REAL300000495233	0	46	-2.0	-108.82	371.30	6.94	-101.88
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000495235	0	44	-2.0	-109.49	372.02	6.75	-102.74
CC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C(C)=C1C(=O)[O-]	REAL300000495236	0	37	-2.0	-103.03	338.91	5.29	-97.74
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2Br)C(C)=C1C(=O)[O-]	REAL300000495237	0	34	-2.0	-109.78	329.82	4.61	-105.17
CC1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C(C)=C1C(=O)[O-]	REAL300000495241	0	35	-2.0	-102.12	314.61	4.99	-97.13
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C(C)=C1C(=O)[O-]	REAL300000495241	1	35	-2.0	-109.08	320.83	4.15	-104.93
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495243	0	37	-2.0	-125.52	336.55	3.97	-121.55
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495244	0	40	-2.0	-109.63	347.14	5.56	-104.07
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000495245	1	39	-2.0	-111.46	351.57	6.97	-104.49
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C(C)=C1C(=O)[O-]	REAL300000495246	0	34	-2.0	-104.62	309.48	3.74	-100.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(C#N)=C1	REAL300000495247	0	38	-2.0	-118.87	343.77	7.34	-111.53
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)C(C)=C1C(=O)[O-]	REAL300000495248	0	38	-2.0	-118.77	336.08	7.62	-111.15
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495254	0	34	-2.0	-101.94	323.90	2.19	-99.75
CC1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C(C)=C1C(=O)[O-]	REAL300000495256	0	30	-2.0	-104.31	291.36	4.11	-100.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495259	0	40	-3.0	-171.49	361.28	6.76	-164.73
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495259	1	41	-2.0	-111.40	358.40	6.69	-104.71
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C(C(N)=O)O1	REAL300000495260	0	38	-2.0	-109.57	344.15	2.00	-107.57
CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C(C)=C1C(=O)[O-]	REAL300000495262	0	34	-2.0	-109.91	319.95	6.44	-103.47
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000495264	0	33	-3.0	-166.30	333.21	5.93	-160.37
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C(C)=C1C(=O)[O-]	REAL300000495265	1	39	-2.0	-120.76	340.89	6.90	-113.86
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495266	0	41	-2.0	-112.85	366.06	6.58	-106.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C(C)=C1C(=O)[O-]	REAL300000495267	0	35	-2.0	-114.52	330.49	6.81	-107.71
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=N2)C(C)=C1C(=O)[O-]	REAL300000495268	0	33	-2.0	-113.27	303.45	2.71	-110.56
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495269	0	37	-2.0	-102.48	359.21	5.66	-96.82
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000495270	0	41	-2.0	-109.56	354.52	6.07	-103.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C(C)=C1C(=O)[O-]	REAL300000495271	0	41	-2.0	-106.52	351.56	6.27	-100.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C(C)=C1C(=O)[O-]	REAL300000495272	0	44	-2.0	-106.52	373.54	6.97	-99.55
CC1=CC=C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C)=C1C(=O)[O-]	REAL300000495273	0	35	-2.0	-98.23	343.10	6.05	-92.18
CC1=CC=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C(C)=C1C(=O)[O-]	REAL300000495274	0	45	-2.0	-116.67	379.66	4.40	-112.27
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C(C)=C1C(=O)[O-]	REAL300000495275	0	40	-2.0	-110.83	371.09	7.31	-103.52
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C(C)=C1C(=O)[O-]	REAL300000495276	1	40	-2.0	-108.95	355.00	3.65	-105.30
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C(C)=C1C(=O)[O-]	REAL300000495277	0	31	-2.0	-109.76	308.75	4.98	-104.78
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000495278	1	38	-2.0	-101.88	350.49	5.95	-95.93
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C(C)=C1C(=O)[O-]	REAL300000495279	0	41	-2.0	-113.48	348.65	6.43	-107.05
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000495280	0	38	-2.0	-109.25	345.47	5.85	-103.40
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C(C)=C1C(=O)[O-]	REAL300000495282	0	44	-2.0	-116.40	379.16	7.80	-108.60
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495283	1	37	-2.0	-108.62	329.23	7.06	-101.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C(C)=C1C(=O)[O-]	REAL300000495284	0	42	-2.0	-122.55	361.52	6.98	-115.57
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C(C)=C1C(=O)[O-]	REAL300000495285	0	42	-2.0	-108.76	372.94	6.08	-102.68
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495287	0	38	-2.0	-114.67	340.75	7.07	-107.60
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C(C)=C1C(=O)[O-]	REAL300000495288	0	40	-2.0	-117.31	357.97	7.02	-110.29
CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C(C)=C1C(=O)[O-]	REAL300000495289	0	31	-2.0	-109.16	309.69	5.84	-103.32
CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=NN2C)C(C)=C1C(=O)[O-]	REAL300000495290	0	34	-2.0	-100.39	326.21	4.53	-95.86
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000495291	0	36	-2.0	-102.40	338.17	5.56	-96.84
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495292	0	39	-2.0	-125.91	346.34	5.99	-119.92
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495293	0	36	-2.0	-99.66	319.83	3.73	-95.93
CC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C(C)=C1C(=O)[O-]	REAL300000495295	1	35	-2.0	-101.21	319.14	5.19	-96.02
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C(C)=C1C(=O)[O-]	REAL300000495296	0	37	-2.0	-113.69	343.44	7.81	-105.88
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C(C)=C1C(=O)[O-]	REAL300000495297	0	37	-2.0	-125.18	349.18	6.10	-119.08
CC1=CC=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C(C)=C1C(=O)[O-]	REAL300000495298	0	41	-2.0	-105.63	356.59	6.11	-99.52
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1OC	REAL300000495300	0	42	-2.0	-115.45	357.39	6.20	-109.25
CC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C(C)=C1C(=O)[O-]	REAL300000495302	0	37	-2.0	-114.03	334.04	6.69	-107.34
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1OC	REAL300000495303	0	42	-2.0	-119.94	363.70	6.73	-113.21
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C(C)=C1C(=O)[O-]	REAL300000495304	0	47	-2.0	-113.45	393.38	7.31	-106.14
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)C(C)=C1C(=O)[O-]	REAL300000495305	0	38	-2.0	-115.86	355.13	8.34	-107.52
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C(C)=C1C(=O)[O-]	REAL300000495306	0	41	-2.0	-112.31	359.91	6.32	-105.99
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C(C)=C1C(=O)[O-]	REAL300000495308	0	37	-2.0	-119.16	334.05	5.60	-113.56
CC1=CC=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C(C)=C1C(=O)[O-]	REAL300000495309	0	39	-2.0	-129.44	349.14	4.79	-124.65
CC1=CC=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C(C)=C1C(=O)[O-]	REAL300000495310	0	41	-2.0	-112.27	345.02	8.34	-103.93
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000495311	1	38	-2.0	-111.37	332.62	4.11	-107.26
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495312	0	34	-2.0	-109.18	321.91	2.27	-106.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)N=CN1	REAL300000495313	0	34	-2.0	-120.72	303.20	4.47	-116.25
CC1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C(C)=C1C(=O)[O-]	REAL300000495315	1	37	-2.0	-109.73	337.99	6.79	-102.94
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C(C)=C1C(=O)[O-]	REAL300000495316	0	44	-2.0	-112.76	376.12	6.80	-105.96
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C(C)=C1C(=O)[O-]	REAL300000495318	0	31	-2.0	-108.54	310.42	5.94	-102.60
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000495319	0	44	-2.0	-109.95	378.57	7.04	-102.91
CC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C(C)=C1C(=O)[O-]	REAL300000495320	0	38	-2.0	-115.66	341.28	7.59	-108.07
COC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C2=NC=CC=C2C=C1	REAL300000495322	0	43	-2.0	-136.35	370.07	7.59	-128.76
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495324	0	40	-2.0	-103.82	360.54	4.75	-99.07
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C(C)=C1C(=O)[O-]	REAL300000495325	0	35	-2.0	-114.23	329.17	6.75	-107.48
CC1=CC=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C(C)=C1C(=O)[O-]	REAL300000495326	0	41	-2.0	-109.26	350.37	5.92	-103.34
CC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000495327	0	38	-2.0	-98.84	361.04	7.74	-91.10
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C(C)=C1C(=O)[O-]	REAL300000495330	0	43	-2.0	-103.79	351.51	6.30	-97.49
CC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000495331	0	43	-2.0	-110.09	369.09	6.11	-103.98
CC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C(C)=C1C(=O)[O-]	REAL300000495332	0	41	-2.0	-109.86	353.20	5.49	-104.37
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000495333	0	39	-2.0	-102.08	355.54	6.22	-95.86
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000495334	1	45	-2.0	-109.15	378.87	7.20	-101.95
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000495335	1	36	-2.0	-96.35	343.64	7.15	-89.20
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000495336	1	37	-2.0	-102.58	350.09	7.48	-95.10
CC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C(C)=C1C(=O)[O-]	REAL300000495338	0	34	-2.0	-110.24	326.12	6.76	-103.48
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000495339	0	34	-2.0	-103.57	336.01	6.50	-97.07
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495340	0	37	-2.0	-105.01	326.44	4.62	-100.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C(C)=C1C(=O)[O-]	REAL300000495343	1	37	-2.0	-120.46	325.62	7.69	-112.77
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495344	1	45	-2.0	-121.40	389.20	8.44	-112.96
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)C(C)=C1C(=O)[O-]	REAL300000495346	1	44	-2.0	-115.13	384.51	8.09	-107.04
CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)C(C)=C1C(=O)[O-]	REAL300000495348	0	39	-2.0	-108.58	363.42	6.87	-101.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C(C)=C1C(=O)[O-]	REAL300000495350	0	35	-2.0	-111.41	337.25	7.25	-104.16
CC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C(C)=C1C(=O)[O-]	REAL300000495351	0	34	-2.0	-111.41	324.27	6.64	-104.77
COC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=CS1	REAL300000495353	0	35	-2.0	-115.10	326.88	4.85	-110.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C(C)=C1C(=O)[O-]	REAL300000495354	0	37	-2.0	-109.79	336.45	7.83	-101.96
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495355	0	40	-2.0	-106.98	369.57	6.70	-100.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C(C)=C1C(=O)[O-]	REAL300000495356	0	41	-2.0	-115.01	359.34	8.57	-106.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C(C)=C1C(=O)[O-]	REAL300000495357	0	44	-2.0	-106.97	369.04	7.01	-99.96
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495358	0	43	-2.0	-106.04	364.58	6.29	-99.75
CC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)C(C)=C1C(=O)[O-]	REAL300000495361	0	37	-2.0	-118.50	358.59	2.89	-115.61
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C(C)=C1C(=O)[O-]	REAL300000495362	0	39	-2.0	-121.35	347.87	4.77	-116.58
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)O1	REAL300000495363	0	37	-2.0	-111.27	330.70	6.00	-105.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C(C)=C1C(=O)[O-]	REAL300000495364	0	34	-2.0	-104.30	328.51	5.61	-98.69
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495365	0	38	-2.0	-107.54	345.22	6.32	-101.22
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)C(C)=C1C(=O)[O-]	REAL300000495366	0	48	-2.0	-111.53	402.98	5.53	-106.00
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000495367	1	40	-2.0	-111.99	357.83	7.94	-104.05
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000495368	1	38	-2.0	-111.39	343.53	5.99	-105.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000495370	0	35	-2.0	-108.49	328.44	4.84	-103.65
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)C(C)=C1C(=O)[O-]	REAL300000495371	0	45	-2.0	-128.55	375.71	8.70	-119.85
CC1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C(C)=C1C(=O)[O-]	REAL300000495373	0	37	-2.0	-106.88	337.27	5.08	-101.80
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495374	1	44	-2.0	-113.88	381.54	7.09	-106.79
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)C(C)=C1C(=O)[O-]	REAL300000495375	0	37	-2.0	-107.19	356.27	5.85	-101.34
CC1=CC=C([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C(C)=C1C(=O)[O-]	REAL300000495376	0	44	-2.0	-107.43	383.93	7.60	-99.83
CC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000495377	0	47	-2.0	-109.16	390.65	7.34	-101.82
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C(C)=C1C(=O)[O-]	REAL300000495379	1	37	-2.0	-114.75	326.31	7.31	-107.44
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495380	1	46	-2.0	-116.15	393.50	9.09	-107.06
CC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C(C)=C1C(=O)[O-]	REAL300000495381	0	37	-2.0	-114.50	330.15	6.79	-107.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C(C)=C1C(=O)[O-]	REAL300000495382	1	36	-2.0	-113.17	335.56	5.80	-107.37
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000495383	0	36	-2.0	-109.21	325.36	3.26	-105.95
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1Cl	REAL300000495384	0	37	-2.0	-106.81	346.32	5.31	-101.50
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C(C)=C1C(=O)[O-]	REAL300000495385	0	36	-2.0	-106.16	345.28	5.68	-100.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C(C)=C1C(=O)[O-]	REAL300000495386	0	31	-2.0	-105.32	304.36	5.02	-100.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C(C)=C1C(=O)[O-]	REAL300000495387	1	39	-2.0	-120.64	357.47	7.36	-113.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C2=CC=CC=C12	REAL300000495388	1	43	-2.0	-120.88	363.03	9.25	-111.63
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C(C)=C1C(=O)[O-]	REAL300000495390	0	34	-2.0	-106.69	332.16	7.01	-99.68
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)O1	REAL300000495391	0	40	-2.0	-122.38	368.28	2.68	-119.70
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C(C)=C1C(=O)[O-]	REAL300000495392	0	44	-2.0	-114.68	382.07	7.82	-106.86
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C(C)=C1C(=O)[O-]	REAL300000495394	0	38	-2.0	-111.69	348.08	7.72	-103.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000495395	1	37	-2.0	-102.35	349.74	7.22	-95.13
CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=NS2)C(C)=C1C(=O)[O-]	REAL300000495397	0	30	-2.0	-101.28	308.53	4.81	-96.47
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495398	0	34	-2.0	-110.51	309.20	5.07	-105.44
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1	REAL300000495400	0	40	-2.0	-109.59	364.63	4.20	-105.39
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1OC	REAL300000495401	0	39	-2.0	-112.31	357.26	4.41	-107.90
CC1=CC=C(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C(C)=C1C(=O)[O-]	REAL300000495402	0	35	-2.0	-88.62	338.16	4.97	-83.65
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)C(C)=C1C(=O)[O-]	REAL300000495402	1	34	-3.0	-166.14	340.84	5.44	-160.70
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000495403	0	33	-2.0	-97.88	322.25	5.03	-92.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000495404	1	38	-2.0	-110.50	349.76	6.06	-104.44
CC1=CC=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C(C)=C1C(=O)[O-]	REAL300000495405	0	40	-2.0	-109.50	347.67	6.42	-103.08
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C(C)=C1C(=O)[O-]	REAL300000495406	1	41	-2.0	-118.49	357.99	8.17	-110.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C(C)=C1C(=O)[O-]	REAL300000495407	0	37	-2.0	-113.55	335.32	7.80	-105.75
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C(C)=C1C(=O)[O-]	REAL300000495408	0	31	-2.0	-100.88	329.67	6.49	-94.39
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000495409	0	34	-2.0	-106.39	324.48	4.45	-101.94
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495410	0	47	-2.0	-112.42	398.38	8.83	-103.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C(C)=C1C(=O)[O-]	REAL300000495411	1	39	-2.0	-108.48	357.03	7.07	-101.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C(C)=C1C(=O)[O-]	REAL300000495412	1	45	-2.0	-113.57	393.89	9.27	-104.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C(C)=C1C(=O)[O-]	REAL300000495413	1	40	-2.0	-123.17	342.47	8.22	-114.95
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C(C)=C1C(=O)[O-]	REAL300000495414	0	32	-2.0	-110.43	308.81	4.84	-105.59
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C(C)=C1C(=O)[O-]	REAL300000495416	0	35	-2.0	-112.62	346.10	5.18	-107.44
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000495417	0	43	-2.0	-115.06	386.57	5.45	-109.61
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000495417	1	42	-3.0	-175.36	383.27	4.32	-171.04
CC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)C(C)=C1C(=O)[O-]	REAL300000495418	1	36	-2.0	-102.39	332.37	5.79	-96.60
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495419	1	45	-2.0	-114.90	388.25	8.03	-106.87
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(C2CC2)=N1	REAL300000495420	0	44	-2.0	-112.47	381.45	7.19	-105.28
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)C(C)=C1C(=O)[O-]	REAL300000495421	0	38	-2.0	-117.48	342.89	5.74	-111.74
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C(C)=C1C(=O)[O-]	REAL300000495422	1	40	-2.0	-109.76	366.88	9.19	-100.57
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495425	0	47	-2.0	-108.01	391.03	7.61	-100.40
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(C)=C1C(=O)[O-]	REAL300000495426	0	31	-2.0	-107.97	303.06	4.89	-103.08
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C(C)=C1C(=O)[O-]	REAL300000495427	0	31	-2.0	-105.46	313.46	5.91	-99.55
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495428	0	48	-2.0	-119.13	409.48	6.69	-112.44
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C(C)=C1C(=O)[O-]	REAL300000495429	0	40	-2.0	-115.47	363.12	9.24	-106.23
CC1=CC=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C(C)=C1C(=O)[O-]	REAL300000495430	0	42	-2.0	-106.90	356.96	4.14	-102.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(C)=N1	REAL300000495435	1	40	-2.0	-105.27	347.11	3.83	-101.44
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495436	0	40	-2.0	-115.77	351.68	4.22	-111.55
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495437	0	37	-2.0	-109.60	346.98	4.08	-105.52
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C	REAL300000495438	1	40	-2.0	-106.40	351.93	3.81	-102.59
CC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000495439	0	43	-2.0	-109.76	372.00	6.49	-103.27
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495440	0	43	-2.0	-110.39	367.86	6.14	-104.25
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C(C)=C1C(=O)[O-]	REAL300000495441	0	33	-2.0	-108.19	331.98	4.38	-103.81
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C(C)=C1C(=O)[O-]	REAL300000495442	0	32	-2.0	-111.86	307.24	4.82	-107.04
CC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C(C)=C1C(=O)[O-]	REAL300000495443	0	32	-2.0	-113.75	313.72	5.78	-107.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C(C)=C1C(=O)[O-]	REAL300000495444	0	40	-2.0	-105.57	346.00	5.66	-99.91
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C	REAL300000495445	0	42	-2.0	-104.12	371.13	5.78	-98.34
CC1=CC=C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C)=C1C(=O)[O-]	REAL300000495446	0	44	-2.0	-106.26	378.03	8.74	-97.52
CC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000495447	0	37	-2.0	-117.16	346.53	8.21	-108.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C(C)=C1C(=O)[O-]	REAL300000495448	0	41	-2.0	-105.17	356.84	6.52	-98.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C(C)=C1C(=O)[O-]	REAL300000495449	0	41	-2.0	-111.26	356.60	7.60	-103.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=NN1C(C)C	REAL300000495451	0	43	-2.0	-110.25	368.75	6.14	-104.11
CC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000495453	0	36	-2.0	-111.68	333.52	5.52	-106.16
CC1=CC=C([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)C(C)=C1C(=O)[O-]	REAL300000495454	0	34	-2.0	-110.97	343.29	2.59	-108.38
CC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C(C)=C1C(=O)[O-]	REAL300000495457	0	38	-2.0	-113.77	355.10	6.86	-106.91
CC1=CC=C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C)=C1C(=O)[O-]	REAL300000495458	0	44	-2.0	-119.98	375.98	8.73	-111.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C(C)=C1C(=O)[O-]	REAL300000495459	1	35	-2.0	-112.59	315.29	3.56	-109.03
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495460	1	43	-2.0	-115.21	371.64	8.17	-107.04
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C(C)=C1C(=O)[O-]	REAL300000495461	0	37	-2.0	-114.97	342.32	7.33	-107.64
CC1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C(C)=C1C(=O)[O-]	REAL300000495462	0	30	-2.0	-102.50	290.27	4.00	-98.50
CC1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C(C)=C1C(=O)[O-]	REAL300000495463	0	38	-2.0	-122.57	352.54	5.66	-116.91
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C(C)=C1C(=O)[O-]	REAL300000495464	1	41	-2.0	-119.21	360.44	8.69	-110.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(Cl)=C1Cl	REAL300000495465	0	37	-2.0	-111.00	351.70	8.00	-103.00
CC1=CC=C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000495466	0	41	-2.0	-111.53	372.21	7.46	-104.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C(C(F)F)=C1	REAL300000495467	1	41	-2.0	-108.61	361.46	6.72	-101.89
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495468	0	39	-2.0	-118.69	345.05	5.98	-112.71
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000495469	0	40	-2.0	-128.13	357.77	7.90	-120.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C2=NC=CC=C12	REAL300000495470	0	42	-2.0	-128.27	362.00	7.57	-120.70
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C(C(=O)[O-])O1	REAL300000495471	0	39	-3.0	-171.62	354.88	6.96	-164.66
CCC1=C(S(=O)(=O)NC2=CC=C(C)C(C(=O)[O-])=C2C)C=C(C(=O)[O-])O1	REAL300000495471	1	40	-2.0	-102.32	354.67	6.42	-95.90
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495472	0	47	-2.0	-121.40	394.03	8.42	-112.98
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)C=C(Cl)S1	REAL300000495473	1	34	-2.0	-104.35	330.81	6.77	-97.58
CC1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C(C)=C1C(=O)[O-]	REAL300000495474	0	30	-2.0	-106.76	291.21	3.52	-103.24
CC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C(C)=C1C(=O)[O-]	REAL300000495475	0	41	-2.0	-111.29	350.37	5.70	-105.59
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000495476	0	37	-2.0	-116.67	331.56	7.12	-109.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=NC=C4)=NC3=C2)C=C1	REAL300000495477	1	40	-2.0	-100.17	366.23	5.81	-94.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=NC=C4)=NC3=C2)=C1	REAL300000495478	1	40	-2.0	-112.38	366.25	5.80	-106.58
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=NC=C4)=NC3=C2)C=C1C(=O)[O-]	REAL300000495479	0	41	-2.0	-110.94	372.90	5.15	-105.79
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=NC=C4)=NC3=C2)C=C(C(=O)[O-])O1	REAL300000495480	0	40	-2.0	-105.79	369.26	4.95	-100.84
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=NC=C4)NC3=C2)C=C(C(=O)[O-])O1	REAL300000495480	1	40	-2.0	-102.31	369.16	4.94	-97.37
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=NC=C4)=NC3=C2)=C1	REAL300000495481	0	39	-2.0	-108.34	363.24	3.87	-104.47
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=NC=C4)NC3=C2)=C1	REAL300000495481	1	39	-2.0	-105.49	362.37	3.93	-101.56
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)=CC=C1F	REAL300000495482	0	33	-3.0	-223.55	343.64	2.59	-220.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)C=C1	REAL300000495483	0	33	-3.0	-210.29	339.10	2.56	-207.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)=C1	REAL300000495484	0	33	-3.0	-229.34	339.11	2.55	-226.79
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)C=C1C(=O)[O-]	REAL300000495485	0	36	-3.0	-231.87	355.15	3.09	-228.78
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)=C1	REAL300000495486	0	33	-3.0	-225.16	344.59	2.62	-222.54
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)=C1	REAL300000495487	0	30	-3.0	-220.10	332.29	1.58	-218.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC2=CC=CC=C2S1	REAL300000495488	0	36	-3.0	-226.05	354.55	3.32	-222.73
CN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)C=C1C(=O)[O-]	REAL300000495489	0	34	-3.0	-226.72	345.76	1.90	-224.82
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)=C1	REAL300000495490	0	33	-3.0	-214.93	348.23	2.24	-212.69
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)=CS1	REAL300000495491	0	30	-3.0	-222.33	330.76	1.58	-220.75
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)C=C(C(=O)[O-])O1	REAL300000495492	0	33	-3.0	-215.44	342.13	1.70	-213.74
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)C=C(C(=O)[O-])S1	REAL300000495493	0	33	-3.0	-220.44	347.74	2.45	-217.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)C=C1F	REAL300000495494	0	33	-3.0	-207.75	343.64	2.60	-205.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)S1	REAL300000495495	0	30	-3.0	-212.81	331.38	1.69	-211.12
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)=C1	REAL300000495496	0	33	-3.0	-217.25	345.52	2.62	-214.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)C(F)=C1	REAL300000495497	0	33	-3.0	-211.29	344.60	2.63	-208.66
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)=C1	REAL300000495498	0	34	-3.0	-223.34	348.83	0.28	-223.06
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)C=C1	REAL300000495499	0	36	-3.0	-214.49	361.28	3.34	-211.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NC2=CC=CC=C2S1	REAL300000495500	0	36	-3.0	-227.06	348.66	3.15	-223.91
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NC2=CC=CC=C2S1	REAL300000495501	0	36	-3.0	-209.04	354.53	3.31	-205.73
CCN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)C=C1C(=O)[O-]	REAL300000495502	0	37	-3.0	-228.56	367.14	2.78	-225.78
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000495503	0	36	-3.0	-211.28	355.12	3.10	-208.18
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)=CC=C1	REAL300000495504	0	33	-3.0	-237.50	342.77	2.59	-234.91
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)=C1	REAL300000495505	0	32	-3.0	-227.24	335.33	0.68	-226.56
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NC3=CC=CC=C3S2)C=C(C(=O)[O-])O1	REAL300000495506	0	36	-3.0	-214.57	361.27	2.48	-212.09
CCC1=CC=C(Br)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000495510	1	31	-2.0	-101.63	322.09	6.15	-95.48
CCC1=CC=C(Br)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000495515	1	31	-2.0	-96.59	321.17	6.26	-90.33
CCC1=CC=C(Br)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000495520	1	33	-2.0	-104.20	325.88	5.19	-99.01
CCOC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000495548	0	41	-2.0	-110.90	369.32	7.10	-103.80
CCOC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000495573	0	39	-2.0	-109.24	334.55	5.22	-104.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=CC=C1F	REAL300000495608	0	34	-2.0	-100.58	333.81	6.48	-94.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1	REAL300000495609	0	34	-2.0	-90.58	329.26	6.46	-84.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000495610	0	34	-2.0	-102.97	329.28	6.45	-96.52
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSN=C1C1=CC=CC=C1	REAL300000495611	0	38	-2.0	-108.70	357.42	6.26	-102.44
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1	REAL300000495612	0	38	-2.0	-90.46	360.73	7.75	-82.71
CC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000495613	0	37	-2.0	-103.99	345.29	6.98	-97.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C1C	REAL300000495614	0	40	-2.0	-105.94	362.39	7.78	-98.16
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000495615	0	34	-2.0	-100.48	334.76	6.52	-93.96
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1	REAL300000495616	0	40	-2.0	-89.88	372.84	8.03	-81.85
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000495617	0	31	-2.0	-97.15	322.46	5.47	-91.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSN=C1C1=CC=CC=C1	REAL300000495618	0	37	-2.0	-104.08	344.70	7.24	-96.84
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1	REAL300000495619	0	38	-2.0	-89.03	360.35	6.73	-82.30
CN1C=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000495620	0	35	-2.0	-101.23	335.92	5.81	-95.42
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSN=C1C1=CC=CC=C1	REAL300000495621	0	38	-2.0	-104.80	353.05	5.30	-99.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000495622	0	34	-2.0	-93.26	338.38	6.13	-87.13
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000495623	0	40	-2.0	-105.29	360.73	7.78	-97.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=CS1	REAL300000495624	0	31	-2.0	-98.74	320.93	5.50	-93.24
COC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000495625	0	38	-2.0	-108.75	356.56	6.52	-102.23
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSN=C1C1=CC=CC=C1	REAL300000495626	0	40	-2.0	-102.12	357.44	8.09	-94.03
CC1=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000495627	0	34	-2.0	-97.07	332.27	5.60	-91.47
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000495628	0	38	-2.0	-103.11	358.24	5.54	-97.57
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSN=C1C1=CC=CC=C1	REAL300000495629	0	37	-2.0	-94.74	349.97	7.27	-87.47
CC1=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300000495630	0	34	-2.0	-100.65	337.90	6.36	-94.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C(Cl)=C1	REAL300000495631	0	34	-2.0	-88.16	342.33	7.02	-81.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1F	REAL300000495632	0	34	-2.0	-90.18	333.80	6.48	-83.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)S1	REAL300000495633	0	31	-2.0	-92.17	321.53	5.57	-86.60
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000495634	0	34	-2.0	-93.96	335.69	6.51	-87.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C1F	REAL300000495635	0	37	-2.0	-101.88	355.02	7.15	-94.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C(F)=C1	REAL300000495636	0	34	-2.0	-89.87	334.74	6.52	-83.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1Cl	REAL300000495637	0	34	-2.0	-88.17	341.77	6.85	-81.32
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000495638	0	34	-3.0	-197.40	335.43	5.06	-192.34
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000495638	1	35	-2.0	-102.98	338.99	4.18	-98.80
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1	REAL300000495639	0	37	-2.0	-94.49	351.45	7.23	-87.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CSN=C1C1=CC=CC=C1	REAL300000495640	0	37	-2.0	-98.36	339.30	7.09	-91.27
CC1=CC(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=CC(C(=O)[O-])=C1F	REAL300000495641	0	37	-2.0	-101.80	354.11	7.10	-94.70
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CSN=C1C1=CC=CC=C1	REAL300000495642	0	37	-2.0	-90.72	344.68	7.23	-83.49
CC1=CC(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=CC(C(=O)[O-])=C1C	REAL300000495643	0	40	-2.0	-105.93	362.15	7.51	-98.42
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000495644	0	34	-2.0	-92.15	341.01	6.58	-85.57
CC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C(C)=C1C(=O)[O-]	REAL300000495645	0	40	-2.0	-102.57	362.80	7.86	-94.71
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000495646	0	37	-2.0	-102.72	354.58	7.14	-95.58
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000495647	0	37	-2.0	-106.66	354.30	7.14	-99.52
CCC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000495648	0	40	-2.0	-104.53	363.59	7.63	-96.90
CCN1C=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000495649	0	38	-2.0	-102.45	357.30	6.67	-95.78
CC1=CC(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000495650	0	37	-2.0	-90.54	345.28	6.99	-83.55
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSN=C1C1=CC=CC=C1	REAL300000495651	0	37	-2.0	-101.58	349.23	7.28	-94.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C1F	REAL300000495652	0	34	-2.0	-105.97	332.91	6.47	-99.50
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000495653	0	37	-2.0	-94.67	350.44	7.02	-87.65
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000495654	0	33	-2.0	-100.49	325.48	4.59	-95.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CSN=C1C1=CC=CC=C1	REAL300000495655	0	38	-2.0	-94.58	357.48	6.25	-88.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)=C(Cl)O1	REAL300000495656	0	31	-2.0	-91.03	329.38	5.45	-85.58
CCC1=C(S(=O)(=O)[N-]C2=CSN=C2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000495657	0	37	-2.0	-96.71	351.33	6.46	-90.25
NC1=NN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)CC1	REAL300000495667	0	30	-2.0	-115.37	290.34	2.65	-112.72
CC1=CC(S(N)(=O)=O)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000495726	1	39	-2.0	-96.51	355.25	1.47	-95.04
CC1=CC(S(N)(=O)=O)=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000495727	1	39	-2.0	-110.56	355.26	1.47	-109.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=C(S(N)(=O)=O)C=C2C)C=C1C(=O)[O-]	REAL300000495728	1	42	-2.0	-108.50	371.22	1.99	-106.51
CC1=CC(S(N)(=O)=O)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000495729	0	36	-2.0	-103.18	348.03	0.43	-102.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(S(N)(=O)=O)C=C1C	REAL300000495730	1	42	-2.0	-109.44	369.91	2.22	-107.22
CC1=CC(S(N)(=O)=O)=C(C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000495731	0	40	-2.0	-107.24	361.85	0.82	-106.42
CC1=CC(S(N)(=O)=O)=C(C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000495732	0	36	-2.0	-104.69	346.85	0.51	-104.18
CC1=C(S(=O)(=O)[N-]C2=CC(C)=C(S(N)(=O)=O)C=C2C)C=C(C(=O)[O-])O1	REAL300000495733	0	39	-2.0	-102.89	357.85	0.55	-102.34
CC1=CC(S(N)(=O)=O)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000495734	0	36	-2.0	-97.48	347.10	0.54	-96.94
CC1=CC(S(N)(=O)=O)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000495735	1	42	-2.0	-99.35	377.37	2.25	-97.10
CC1=CC(S(N)(=O)=O)=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000495736	1	42	-2.0	-103.79	365.23	2.11	-101.68
CC1=CC(S(N)(=O)=O)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000495737	1	42	-2.0	-95.92	369.89	2.21	-93.71
CC1=CC(S(N)(=O)=O)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000495738	1	42	-2.0	-96.22	371.21	2.01	-94.21
CC1=CC(S(N)(=O)=O)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000495739	0	38	-2.0	-105.69	351.81	-0.52	-106.21
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=CC=C1F	REAL300000495740	0	32	-3.0	-227.94	326.02	1.95	-225.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1	REAL300000495741	0	32	-3.0	-214.81	321.48	1.93	-212.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C1	REAL300000495742	0	32	-3.0	-233.61	321.49	1.92	-231.69
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300000495743	0	36	-3.0	-238.24	349.63	1.73	-236.51
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1	REAL300000495744	0	36	-3.0	-211.90	352.94	3.23	-208.67
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1C(=O)[O-]	REAL300000495745	0	35	-3.0	-237.44	341.56	2.57	-234.87
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C1	REAL300000495746	0	32	-3.0	-224.85	334.56	2.47	-222.38
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=CC=C1Cl	REAL300000495747	0	32	-3.0	-227.62	334.00	2.32	-225.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C1C	REAL300000495748	0	38	-3.0	-232.96	354.16	3.19	-229.77
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C1	REAL300000495749	0	32	-3.0	-229.43	326.97	1.99	-227.44
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1	REAL300000495750	0	38	-3.0	-211.88	365.06	3.51	-208.37
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C1	REAL300000495751	0	29	-3.0	-224.35	314.67	0.96	-223.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300000495752	0	35	-3.0	-230.32	336.93	2.69	-227.63
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1	REAL300000495753	0	36	-3.0	-210.81	352.56	2.22	-208.59
CN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1C(=O)[O-]	REAL300000495754	0	33	-3.0	-230.97	328.13	1.28	-229.69
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300000495755	0	36	-3.0	-230.18	345.70	0.72	-229.46
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C1	REAL300000495756	0	32	-3.0	-219.39	330.61	1.61	-217.78
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1C(=O)[O-]	REAL300000495757	0	38	-3.0	-232.91	352.56	3.19	-229.72
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=CS1	REAL300000495758	0	29	-3.0	-226.42	313.14	0.95	-225.47
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1C(=O)[O-]	REAL300000495759	0	36	-3.0	-239.43	348.77	1.99	-237.44
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300000495760	0	38	-3.0	-225.52	351.62	3.43	-222.09
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C(C(=O)[O-])O1	REAL300000495761	0	32	-3.0	-220.05	324.50	1.07	-218.98
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C1	REAL300000495762	0	36	-3.0	-238.91	350.40	1.02	-237.89
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300000495763	0	35	-3.0	-218.65	342.20	2.71	-215.94
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C(C(=O)[O-])S1	REAL300000495764	0	32	-3.0	-224.80	330.09	1.81	-222.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C(Cl)=C1	REAL300000495765	0	32	-3.0	-211.07	334.54	2.47	-208.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1F	REAL300000495766	0	32	-3.0	-212.51	326.00	1.96	-210.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)S1	REAL300000495767	0	29	-3.0	-217.05	313.76	1.05	-216.00
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C1	REAL300000495768	0	32	-3.0	-221.74	327.90	1.99	-219.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C1F	REAL300000495769	0	35	-3.0	-231.78	347.25	2.63	-229.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C(F)=C1	REAL300000495770	0	32	-3.0	-215.85	326.98	1.99	-213.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1Cl	REAL300000495771	0	32	-3.0	-211.49	333.98	2.32	-209.17
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=CC(F)=C1F	REAL300000495772	0	32	-3.0	-216.84	332.31	2.02	-214.82
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C1	REAL300000495773	0	33	-3.0	-227.58	331.20	-0.35	-227.93
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1	REAL300000495774	0	35	-3.0	-219.09	343.66	2.71	-216.38
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300000495775	0	35	-3.0	-231.46	331.56	2.55	-228.91
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=CC(C(=O)[O-])=C1F	REAL300000495776	0	35	-3.0	-230.12	346.33	2.57	-227.55
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300000495777	0	35	-3.0	-213.59	336.91	2.68	-210.91
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=CC(C(=O)[O-])=C1C	REAL300000495778	0	38	-3.0	-240.69	358.29	3.09	-237.60
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C1	REAL300000495779	0	32	-3.0	-219.23	333.25	2.06	-217.17
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C(C)=C1C(=O)[O-]	REAL300000495780	0	38	-3.0	-236.18	355.97	3.31	-232.87
CC1=CC(F)=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1C(=O)[O-]	REAL300000495781	0	35	-3.0	-231.77	342.97	2.52	-229.25
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C1	REAL300000495782	0	35	-3.0	-243.15	346.50	2.61	-240.54
CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1C(=O)[O-]	REAL300000495783	0	38	-3.0	-237.48	355.43	3.12	-234.36
CCN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1C(=O)[O-]	REAL300000495784	0	36	-3.0	-232.89	349.52	2.14	-230.75
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=CC=C1C(=O)[O-]	REAL300000495785	0	35	-3.0	-215.87	337.50	2.47	-213.40
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300000495786	0	35	-3.0	-224.51	341.45	2.72	-221.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C1F	REAL300000495787	0	32	-3.0	-241.61	325.11	1.95	-239.66
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C1C(=O)[O-]	REAL300000495788	0	35	-3.0	-225.11	346.43	2.60	-222.51
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C1	REAL300000495789	0	31	-3.0	-231.68	317.71	0.05	-231.63
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300000495790	0	36	-3.0	-221.10	349.70	1.74	-219.36
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)=C(Cl)O1	REAL300000495791	0	29	-3.0	-213.25	321.64	0.90	-212.35
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=C3N=CNC3=NC=N2)C=C(C(=O)[O-])O1	REAL300000495792	0	35	-3.0	-219.03	343.61	1.85	-217.18
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1	REAL300000495793	1	40	-2.0	-85.89	364.07	2.06	-83.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC=C1F	REAL300000495794	1	33	-2.0	-101.81	312.16	3.50	-98.31
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CC(=O)NC2=C1	REAL300000495795	0	41	-2.0	-102.58	367.24	4.55	-98.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1	REAL300000495796	1	33	-2.0	-92.26	307.60	3.48	-88.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC=C1	REAL300000495797	1	33	-2.0	-104.09	307.62	3.47	-100.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CC(=O)NC2=C1	REAL300000495798	0	37	-2.0	-109.09	335.76	3.26	-105.83
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1	REAL300000495799	1	37	-2.0	-91.85	339.07	4.77	-87.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000495800	1	36	-2.0	-105.13	323.63	4.00	-101.13
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1	REAL300000495801	0	33	-2.0	-99.64	320.69	4.04	-95.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC=C1Cl	REAL300000495802	1	33	-2.0	-100.06	320.13	3.87	-96.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1C	REAL300000495803	1	39	-2.0	-106.70	340.01	4.77	-101.93
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1	REAL300000495804	0	33	-2.0	-101.08	313.09	3.53	-97.55
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1	REAL300000495805	1	39	-2.0	-90.86	351.18	5.06	-85.80
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1	REAL300000495806	0	30	-2.0	-98.71	300.80	2.49	-96.22
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CC(=O)NC2=C1	REAL300000495807	1	36	-2.0	-104.85	323.05	4.25	-100.60
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1	REAL300000495808	1	37	-2.0	-90.48	338.68	3.76	-86.72
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000495809	0	34	-2.0	-102.64	314.26	2.82	-99.82
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1	REAL300000495811	0	33	-2.0	-94.99	316.72	3.16	-91.83
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000495812	1	39	-2.0	-106.29	338.68	4.80	-101.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CS1	REAL300000495813	0	30	-2.0	-100.06	299.27	2.51	-97.55
COC1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000495814	1	41	-2.0	-104.52	365.92	3.28	-101.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000495815	1	37	-2.0	-109.90	334.91	3.53	-106.37
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1	REAL300000495816	1	43	-2.0	-108.54	362.87	6.09	-102.45
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CC(=O)NC2=C1	REAL300000495817	1	42	-2.0	-106.77	361.52	5.48	-101.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CC(=O)NC2=C1	REAL300000495818	1	39	-2.0	-103.18	337.76	5.20	-97.98
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CC(=O)NC2=C1	REAL300000495819	0	40	-2.0	-109.65	358.05	4.03	-105.62
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3CC(=O)NC3=C2)=CC(C(=O)[O-])=C1	REAL300000495820	0	36	-2.0	-109.47	338.51	4.03	-105.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC(C(=O)[O-])=C1	REAL300000495820	1	35	-3.0	-178.73	336.02	4.04	-174.69
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1	REAL300000495821	1	40	-2.0	-108.81	351.87	5.36	-103.45
CC1=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C(C(=O)[O-])O1	REAL300000495822	0	33	-2.0	-98.40	310.66	2.61	-95.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC2=C1OCCO2	REAL300000495823	1	39	-2.0	-108.93	349.79	3.24	-105.69
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1	REAL300000495824	0	37	-2.0	-105.45	336.53	2.55	-102.90
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C4CC(=O)NC4=C3)C=C2C1	REAL300000495825	1	41	-2.0	-91.65	361.25	4.07	-87.58
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1	REAL300000495826	0	33	-2.0	-96.54	325.20	4.07	-92.47
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1Cl	REAL300000495827	1	37	-2.0	-89.11	354.72	4.29	-84.82
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CC(=O)NC2=C1	REAL300000495829	1	36	-2.0	-95.69	328.32	4.29	-91.40
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1F	REAL300000495830	1	37	-2.0	-90.17	344.92	3.81	-86.36
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000495831	1	40	-2.0	-110.55	356.76	4.44	-106.11
CC1=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C(C(=O)[O-])S1	REAL300000495832	0	33	-2.0	-101.41	317.31	3.35	-98.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C(Cl)=C1	REAL300000495833	0	33	-2.0	-89.85	320.67	4.02	-85.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1F	REAL300000495834	1	33	-2.0	-91.91	312.14	3.50	-88.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)S1	REAL300000495835	0	30	-2.0	-93.77	299.89	2.60	-91.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC(F)=C1	REAL300000495836	1	33	-2.0	-95.16	314.03	3.54	-91.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1F	REAL300000495837	0	36	-2.0	-102.44	333.38	4.18	-98.26
COC1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000495838	0	37	-2.0	-94.57	347.92	4.08	-90.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C(F)=C1	REAL300000495839	0	33	-2.0	-91.55	313.08	3.53	-88.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1Cl	REAL300000495840	1	33	-2.0	-89.89	320.11	3.88	-86.01
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CC(=O)NC2=C1	REAL300000495841	1	36	-2.0	-97.32	337.06	4.67	-92.65
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1	REAL300000495842	1	41	-2.0	-88.66	371.36	4.88	-83.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC(F)=C1F	REAL300000495843	1	33	-2.0	-93.68	318.44	3.57	-90.11
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1	REAL300000495844	0	35	-2.0	-89.52	335.82	4.13	-85.39
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1	REAL300000495845	0	34	-2.0	-103.71	317.33	1.18	-102.53
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CC(=O)NC3=C2)=C1	REAL300000495845	1	34	-2.0	-102.24	306.35	2.06	-100.18
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1	REAL300000495846	1	36	-2.0	-95.28	329.78	4.26	-91.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC(Cl)=C1F	REAL300000495847	1	33	-2.0	-94.97	328.33	3.99	-90.98
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CC(=O)NC2=C1	REAL300000495848	1	36	-2.0	-100.54	317.65	4.12	-96.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC(C(=O)[O-])=C1F	REAL300000495849	1	36	-2.0	-103.16	332.45	4.11	-99.05
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC(C(=O)[O-])=C1C	REAL300000495851	1	39	-2.0	-108.34	345.11	4.66	-103.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC=C1[N+](=O)[O-]	REAL300000495852	0	35	-2.0	-103.05	334.17	4.56	-98.49
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1	REAL300000495853	0	33	-2.0	-92.97	319.37	3.59	-89.38
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000495855	0	36	-2.0	-103.30	332.93	4.17	-99.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1Cl	REAL300000495856	0	36	-2.0	-101.34	339.36	4.61	-96.73
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1	REAL300000495857	0	36	-2.0	-109.06	332.65	4.16	-104.90
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000495858	1	39	-2.0	-105.81	341.58	4.66	-101.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1CC(=O)[O-]	REAL300000495859	1	40	-2.0	-106.67	358.09	3.61	-103.06
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2CC(=O)NC2=C1	REAL300000495860	1	36	-2.0	-93.92	333.88	4.64	-89.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000495861	1	36	-2.0	-101.83	338.84	4.42	-97.41
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000495862	0	37	-2.0	-103.88	335.64	3.67	-100.21
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000495864	1	36	-2.0	-97.48	337.49	4.44	-93.04
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C(C(=O)[O-])S1	REAL300000495865	0	42	-2.0	-101.30	357.06	5.61	-95.69
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000495866	0	37	-2.0	-105.16	347.94	4.10	-101.06
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC=C1C(=O)[O-]	REAL300000495867	1	36	-2.0	-92.39	323.62	4.02	-88.37
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C([N+](=O)[O-])=C1	REAL300000495868	0	38	-2.0	-96.96	350.88	5.66	-91.30
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CC(=O)NC2=C1	REAL300000495869	1	36	-2.0	-102.47	327.57	4.30	-98.17
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC=C1	REAL300000495870	0	35	-2.0	-111.34	331.35	5.32	-106.02
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC=C1	REAL300000495871	0	33	-2.0	-108.30	311.28	3.51	-104.79
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000495872	1	36	-2.0	-95.86	328.80	4.05	-91.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=CC2=CC=CC=C21	REAL300000495873	1	39	-2.0	-112.22	348.65	5.58	-106.64
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C1	REAL300000495874	0	32	-2.0	-101.00	304.61	1.53	-99.47
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CC(=O)NC2=C1	REAL300000495875	0	37	-2.0	-96.24	335.81	3.27	-92.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)=C(Cl)O1	REAL300000495876	0	30	-2.0	-92.36	307.76	2.44	-89.92
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4CC(=O)NC4=C3)C=C2)CC1	REAL300000495877	1	40	-2.0	-98.44	353.74	5.35	-93.09
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4CC(=O)NC4=C3)C=C2C1	REAL300000495878	1	40	-2.0	-102.00	353.05	5.36	-96.64
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CC(=O)NC3=C2)C=C(C(=O)[O-])O1	REAL300000495879	0	36	-2.0	-98.26	329.74	3.47	-94.79
CCOCC1=NC(C)=CC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000495908	0	42	-2.0	-104.62	378.19	2.92	-101.70
CCOCC1=NC(C)=CC(N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000495925	1	38	-2.0	-99.32	375.71	3.16	-96.16
CN1C=C(CN(C2=CC=CC=C2)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=N1	REAL300000495948	0	42	-2.0	-108.43	377.25	6.75	-101.68
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1	REAL300000495961	0	33	-3.0	-182.89	341.18	-2.37	-185.26
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC=C1F	REAL300000495962	0	26	-3.0	-204.34	289.25	-0.93	-205.27
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NSN=C1	REAL300000495963	0	34	-3.0	-204.15	344.35	0.15	-204.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1	REAL300000495964	0	26	-3.0	-191.44	284.71	-0.95	-192.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000495965	0	26	-3.0	-209.57	284.72	-0.96	-210.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NSN=C1	REAL300000495966	0	30	-3.0	-214.79	312.86	-1.15	-215.94
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1	REAL300000495967	0	30	-3.0	-189.78	316.17	0.34	-189.44
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1C(=O)[O-]	REAL300000495968	0	29	-3.0	-211.98	300.76	-0.42	-212.40
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000495969	0	26	-3.0	-201.62	297.79	-0.41	-202.03
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC=C1Cl	REAL300000495970	0	26	-3.0	-203.92	297.22	-0.57	-204.49
O=C([O-])C1=C(Cl)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000495971	0	26	-3.0	-195.83	310.29	-0.04	-195.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1C	REAL300000495972	0	32	-3.0	-209.85	317.39	0.30	-209.55
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000495973	0	26	-3.0	-205.51	290.19	-0.90	-206.41
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1	REAL300000495974	0	32	-3.0	-189.63	328.29	0.63	-189.00
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000495975	0	23	-3.0	-200.76	277.90	-1.93	-202.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NSN=C1	REAL300000495976	0	29	-3.0	-207.02	300.16	-0.20	-207.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1	REAL300000495977	0	30	-3.0	-188.67	315.79	-0.67	-189.34
CN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1C(=O)[O-]	REAL300000495978	0	27	-3.0	-206.90	291.37	-1.61	-208.51
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NSN=C1	REAL300000495979	0	30	-3.0	-206.59	308.51	-2.20	-208.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000495980	0	26	-3.0	-195.69	293.84	-1.27	-196.96
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1C(=O)[O-]	REAL300000495981	0	32	-3.0	-209.71	315.79	0.31	-209.40
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CS1	REAL300000495982	0	23	-3.0	-202.80	276.37	-1.94	-204.74
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC(C(=O)[O-])=C1OC	REAL300000495983	0	34	-3.0	-209.37	343.03	-1.15	-210.52
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1C(=O)[O-]	REAL300000495984	0	30	-3.0	-215.66	312.01	-0.90	-216.56
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000495985	0	36	-3.0	-214.32	339.95	1.57	-212.75
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NSN=C1	REAL300000495986	0	35	-3.0	-211.37	338.62	1.00	-210.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NSN=C1	REAL300000495987	0	32	-3.0	-203.29	314.84	0.54	-202.75
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NSN=C1	REAL300000495988	0	33	-3.0	-214.21	335.16	-0.39	-214.60
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000495989	0	28	-4.0	-301.00	313.13	-0.40	-301.40
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000495990	0	33	-3.0	-214.57	328.97	0.91	-213.66
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C(C(=O)[O-])O1	REAL300000495991	0	26	-3.0	-196.62	287.73	-1.81	-198.43
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC2=C1OCCO2	REAL300000495992	0	32	-3.0	-215.24	326.88	-1.19	-216.43
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000495993	0	30	-3.0	-214.80	313.62	-1.86	-216.66
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NSN=C3)C=C2C1	REAL300000495994	0	34	-3.0	-191.61	337.64	-0.35	-191.96
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC(Cl)=C1Cl	REAL300000495995	0	26	-3.0	-196.41	312.41	-0.11	-196.52
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000495996	0	26	-3.0	-195.66	302.31	-0.39	-196.05
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1Cl	REAL300000495997	0	30	-3.0	-185.89	331.82	-0.13	-186.02
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC=C1OCC(=O)[O-]	REAL300000495998	0	33	-3.0	-189.56	335.88	0.03	-189.53
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NSN=C1	REAL300000495999	0	29	-3.0	-195.61	305.43	-0.17	-195.78
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1F	REAL300000496000	0	30	-3.0	-186.20	322.01	-0.61	-186.81
CCOC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1C(=O)[O-]	REAL300000496001	0	33	-3.0	-216.49	333.85	0.02	-216.47
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C(C(=O)[O-])S1	REAL300000496002	0	26	-3.0	-201.58	293.35	-1.07	-202.65
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000496003	0	26	-3.0	-194.28	312.94	0.04	-194.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C(Cl)=C1	REAL300000496004	0	26	-3.0	-188.12	297.76	-0.43	-188.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1F	REAL300000496005	0	26	-3.0	-189.37	289.24	-0.92	-190.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)S1	REAL300000496006	0	23	-3.0	-193.66	276.99	-1.83	-195.49
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000496007	0	26	-3.0	-198.05	291.12	-0.89	-198.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1F	REAL300000496008	0	29	-3.0	-207.84	310.48	-0.25	-208.09
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000496009	0	30	-3.0	-192.77	325.03	-0.35	-193.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C(F)=C1	REAL300000496010	0	26	-3.0	-192.19	290.20	-0.89	-193.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1Cl	REAL300000496011	0	26	-3.0	-188.36	297.22	-0.57	-188.93
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NSN=C1	REAL300000496012	0	29	-3.0	-197.80	314.16	0.21	-197.59
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1	REAL300000496013	0	34	-3.0	-185.34	348.45	0.45	-184.89
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC(F)=C1F	REAL300000496014	0	26	-3.0	-193.60	295.55	-0.87	-194.47
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000496015	0	28	-3.0	-190.79	312.91	-0.29	-191.08
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000496016	0	27	-3.0	-204.34	294.43	-3.24	-207.58
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1	REAL300000496017	0	29	-3.0	-195.90	306.89	-0.17	-196.07
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC(Cl)=C1F	REAL300000496018	0	26	-3.0	-195.98	305.44	-0.43	-196.41
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NSN=C1	REAL300000496019	0	29	-3.0	-207.29	294.27	-0.37	-207.66
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC(C(=O)[O-])=C1F	REAL300000496020	0	29	-3.0	-206.45	309.57	-0.32	-206.77
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NSN=C1	REAL300000496021	0	29	-3.0	-190.61	300.14	-0.21	-190.82
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC(C(=O)[O-])=C1C	REAL300000496022	0	32	-3.0	-216.51	321.52	0.21	-216.30
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC=C1[N+](=O)[O-]	REAL300000496023	0	28	-3.0	-202.01	311.30	0.13	-201.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000496024	0	26	-3.0	-195.60	296.48	-0.83	-196.43
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C(C)=C1C(=O)[O-]	REAL300000496025	0	32	-3.0	-212.38	318.11	0.37	-212.01
CC1=CC(F)=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1C(=O)[O-]	REAL300000496026	0	29	-3.0	-207.74	306.19	-0.36	-208.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1Cl	REAL300000496027	0	29	-3.0	-204.18	316.48	0.15	-204.03
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000496028	0	29	-3.0	-218.78	309.73	-0.27	-219.05
CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1C(=O)[O-]	REAL300000496029	0	32	-3.0	-213.41	318.65	0.22	-213.19
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1CC(=O)[O-]	REAL300000496030	0	33	-3.0	-215.76	335.19	-0.83	-216.59
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-][N-]C(=O)C1=NSN=C1	REAL300000496031	0	29	-3.0	-198.35	310.98	0.13	-198.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1C(F)(F)F	REAL300000496032	0	29	-3.0	-186.75	314.84	-0.14	-186.89
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC(C(=O)[O-])=C1Cl	REAL300000496033	0	29	-3.0	-206.63	315.96	-0.00	-206.63
CCN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1C(=O)[O-]	REAL300000496034	0	30	-3.0	-208.92	312.75	-0.75	-209.67
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C(C)=C1CC(=O)[O-]	REAL300000496035	0	38	-3.0	-208.84	349.71	1.86	-206.98
O=C([O-])C1=C(F)C(Cl)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000496036	0	26	-3.0	-192.23	310.30	-0.40	-192.63
CC1=C(Cl)C=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1C(=O)[O-]	REAL300000496037	0	29	-3.0	-203.80	318.46	0.11	-203.69
CC(C)(C)C1=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C(C(=O)[O-])S1	REAL300000496038	0	35	-3.0	-201.23	334.44	0.95	-200.28
COC1=CC(Cl)=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1C(=O)[O-]	REAL300000496039	0	30	-3.0	-207.24	325.04	-0.35	-207.59
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC=C1C(=O)[O-]	REAL300000496040	0	29	-3.0	-192.31	300.73	-0.42	-192.73
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C([N+](=O)[O-])=C1	REAL300000496041	0	31	-3.0	-198.45	328.00	1.08	-197.37
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NSN=C1	REAL300000496042	0	29	-3.0	-201.65	304.67	-0.16	-201.81
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC=C1	REAL300000496043	0	28	-3.0	-220.27	308.47	0.88	-219.39
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC=C1	REAL300000496044	0	26	-3.0	-217.25	288.38	-0.92	-218.17
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C1C(=O)[O-]	REAL300000496045	0	29	-3.0	-201.23	309.66	-0.29	-201.52
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=CC2=CC=CC=C21	REAL300000496046	0	32	-3.0	-220.91	325.76	1.17	-219.74
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C1	REAL300000496047	0	25	-3.0	-207.56	280.94	-2.83	-210.39
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NSN=C1	REAL300000496048	0	30	-3.0	-197.86	312.92	-1.15	-199.01
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)=C(Cl)O1	REAL300000496049	0	23	-3.0	-190.20	284.85	-1.99	-192.19
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NSN=C3)C=C2)CC1	REAL300000496050	0	33	-3.0	-199.07	330.84	0.93	-198.14
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NSN=C3)C=C2C1	REAL300000496051	0	33	-3.0	-210.87	330.17	0.93	-209.94
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NSN=C2)C=C(C(=O)[O-])O1	REAL300000496052	0	29	-3.0	-196.16	306.88	-1.03	-197.19
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)=C1	REAL300000496081	0	41	-2.0	-108.17	365.03	7.50	-100.67
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)=C1	REAL300000496083	0	38	-2.0	-104.79	352.74	6.45	-98.34
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)C=C1C(=O)[O-]	REAL300000496085	1	42	-2.0	-109.10	366.21	6.79	-102.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)=C1	REAL300000496086	0	41	-2.0	-100.96	368.67	7.12	-93.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)=CS1	REAL300000496088	1	38	-2.0	-106.44	351.21	6.47	-99.97
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)C=C(C(=O)[O-])O1	REAL300000496090	0	41	-2.0	-104.49	362.57	6.58	-97.91
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)C=C(C(=O)[O-])S1	REAL300000496091	1	41	-2.0	-108.14	368.16	7.33	-100.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)C=C1F	REAL300000496092	1	41	-2.0	-97.38	364.09	7.48	-89.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)S1	REAL300000496093	0	38	-2.0	-99.66	351.83	6.55	-93.11
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)=C1	REAL300000496094	1	41	-2.0	-101.37	365.96	7.50	-93.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)C(F)=C1	REAL300000496095	0	41	-2.0	-97.36	365.02	7.51	-89.85
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)=C1	REAL300000496096	0	42	-2.0	-110.84	369.27	5.15	-105.69
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3OC4(C=CC3=C2)CCC4)=C1	REAL300000496096	1	42	-2.0	-108.77	368.48	5.95	-102.82
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)C=C1C(=O)[O-]	REAL300000496103	1	45	-2.0	-110.33	387.58	7.66	-102.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)=C1F	REAL300000496105	0	41	-2.0	-114.87	363.22	7.47	-107.40
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)=C1	REAL300000496106	0	40	-2.0	-108.10	356.54	5.49	-102.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)=C(Cl)O1	REAL300000496107	0	38	-2.0	-98.24	359.71	6.41	-91.83
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC4(C=CC3=C2)CCC4)C=C(C(=O)[O-])O1	REAL300000496108	0	44	-2.0	-104.30	381.69	7.42	-96.88
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000496109	0	41	-2.0	-108.76	372.26	6.65	-102.11
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000496110	0	41	-2.0	-97.39	367.69	6.63	-90.76
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000496111	0	41	-2.0	-111.26	367.72	6.62	-104.64
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000496112	0	44	-2.0	-112.35	383.73	7.15	-105.20
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000496113	0	41	-2.0	-106.00	373.18	6.68	-99.32
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000496114	0	38	-2.0	-103.30	360.91	5.68	-97.62
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000496115	0	44	-2.0	-108.84	383.15	7.36	-101.48
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COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000496118	0	38	-2.0	-104.42	359.37	5.67	-98.75
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000496119	0	41	-2.0	-103.02	370.72	5.76	-97.26
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000496120	0	41	-2.0	-105.60	377.41	6.51	-99.09
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000496121	0	41	-2.0	-97.49	372.24	6.66	-90.83
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000496122	0	38	-2.0	-99.83	359.98	5.78	-94.05
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000496123	0	41	-2.0	-101.92	374.13	6.69	-95.23
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000496124	0	41	-2.0	-97.50	373.17	6.69	-90.81
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000496125	0	42	-2.0	-108.07	377.43	4.21	-103.86
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000496126	0	44	-2.0	-100.69	389.90	7.40	-93.29
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000496127	0	44	-2.0	-107.08	377.75	7.22	-99.86
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000496128	0	44	-2.0	-97.50	383.13	7.35	-90.15
CCN1C=C(S(=O)(=O)[N-]C2=CC(CCC(=O)OC)=CC=C2O)C=C1C(=O)[O-]	REAL300000496129	0	45	-2.0	-108.52	395.66	6.86	-101.66
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000496130	0	44	-2.0	-97.65	383.72	7.17	-90.48
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000496131	0	41	-2.0	-115.56	371.34	6.65	-108.91
COC(=O)CCC1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000496132	0	40	-2.0	-107.63	363.92	4.77	-102.86
CCC1=C(S(=O)(=O)[N-]C2=CC(CCC(=O)OC)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000496133	0	44	-2.0	-102.80	389.84	6.62	-96.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=CC=C1F	REAL300000496134	0	34	-2.0	-109.75	321.64	5.31	-104.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1	REAL300000496135	0	34	-2.0	-99.65	317.09	5.29	-94.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1	REAL300000496136	0	34	-2.0	-112.48	317.10	5.27	-107.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=N1	REAL300000496137	0	38	-2.0	-117.16	345.24	5.07	-112.09
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1	REAL300000496138	0	38	-2.0	-98.61	348.55	6.58	-92.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1C(=O)[O-]	REAL300000496139	0	37	-2.0	-113.69	333.11	5.82	-107.87
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1	REAL300000496140	0	34	-2.0	-107.30	330.17	5.85	-101.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=CC=C1Cl	REAL300000496141	0	34	-2.0	-108.19	329.62	5.68	-102.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1C	REAL300000496142	0	40	-2.0	-114.27	349.49	6.58	-107.69
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1	REAL300000496143	0	34	-2.0	-109.75	322.56	5.35	-104.40
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1	REAL300000496144	0	40	-2.0	-97.96	360.67	6.87	-91.09
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1	REAL300000496145	0	31	-2.0	-106.82	310.29	4.30	-102.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=N1	REAL300000496146	0	37	-2.0	-112.35	332.53	6.07	-106.28
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1	REAL300000496147	0	38	-2.0	-97.37	348.17	5.57	-91.80
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1C(=O)[O-]	REAL300000496148	0	35	-2.0	-110.52	323.75	4.63	-105.89
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=N1	REAL300000496149	1	38	-2.0	-113.00	340.88	4.12	-108.88
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1	REAL300000496150	0	34	-2.0	-102.72	326.21	4.96	-97.76
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1C(=O)[O-]	REAL300000496151	0	40	-2.0	-114.90	352.55	6.70	-108.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=CS1	REAL300000496152	0	31	-2.0	-108.09	308.75	4.33	-103.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1C(=O)[O-]	REAL300000496153	0	38	-2.0	-118.17	344.39	5.35	-112.82
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1	REAL300000496154	0	44	-2.0	-116.30	372.33	7.91	-108.39
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=N1	REAL300000496155	0	43	-2.0	-113.63	369.88	7.33	-106.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=N1	REAL300000496156	0	40	-2.0	-109.49	342.43	7.10	-102.39
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=N1	REAL300000496157	0	41	-2.0	-116.70	367.52	5.84	-110.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=CC(C(=O)[O-])=C1	REAL300000496158	0	36	-3.0	-189.54	345.50	5.85	-183.69
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2N2N=CC=N2)=CC(C(=O)[O-])=C1	REAL300000496158	1	37	-2.0	-111.76	343.69	5.92	-105.84
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1	REAL300000496159	0	41	-2.0	-116.81	361.34	7.18	-109.63
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C(C(=O)[O-])O1	REAL300000496160	0	34	-2.0	-105.52	320.10	4.42	-101.10
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1	REAL300000496161	0	38	-2.0	-113.18	346.01	4.37	-108.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C(Cl)C=C1F	REAL300000496162	0	34	-2.0	-103.85	334.68	5.88	-97.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=CC=C1OCC(=O)[O-]	REAL300000496163	1	41	-2.0	-97.79	368.25	6.27	-91.52
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=N1	REAL300000496164	0	37	-2.0	-103.45	337.39	6.12	-97.33
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1F	REAL300000496165	0	38	-2.0	-96.78	354.39	5.62	-91.16
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1C(=O)[O-]	REAL300000496166	0	41	-2.0	-118.94	366.23	6.26	-112.68
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C(C(=O)[O-])S1	REAL300000496167	0	34	-2.0	-108.73	326.79	5.17	-103.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C(Cl)=C1	REAL300000496168	0	34	-2.0	-96.62	330.15	5.85	-90.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1F	REAL300000496169	0	34	-2.0	-99.09	321.63	5.32	-93.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)S1	REAL300000496170	0	31	-2.0	-101.48	309.36	4.40	-97.08
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1	REAL300000496171	0	34	-2.0	-103.42	323.51	5.34	-98.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1F	REAL300000496172	0	37	-2.0	-111.28	342.85	5.98	-105.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C(F)=C1	REAL300000496173	0	34	-2.0	-99.24	322.56	5.36	-93.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1Cl	REAL300000496174	0	34	-2.0	-97.08	329.60	5.69	-91.39
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=N1	REAL300000496175	0	37	-2.0	-105.03	346.13	6.49	-98.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=CC(F)=C1F	REAL300000496176	0	34	-2.0	-101.41	327.92	5.38	-96.03
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1	REAL300000496177	0	36	-2.0	-97.51	345.29	5.95	-91.56
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1	REAL300000496178	0	35	-2.0	-110.90	326.81	3.00	-107.90
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1	REAL300000496179	0	37	-2.0	-103.13	339.27	6.06	-97.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=CC(Cl)=C1F	REAL300000496180	0	34	-2.0	-102.84	337.81	5.82	-97.02
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=N1	REAL300000496181	0	37	-2.0	-108.15	327.14	5.91	-102.24
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=CC(C(=O)[O-])=C1F	REAL300000496182	0	37	-2.0	-111.22	341.94	5.94	-105.28
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=N1	REAL300000496183	1	37	-2.0	-99.12	332.51	6.06	-93.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=CC(C(=O)[O-])=C1C	REAL300000496184	0	40	-2.0	-115.70	349.98	6.35	-109.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=CC=C1[N+](=O)[O-]	REAL300000496185	0	36	-2.0	-110.26	343.65	6.37	-103.89
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1	REAL300000496186	0	34	-2.0	-101.56	328.83	5.41	-96.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C(C)=C1C(=O)[O-]	REAL300000496187	1	40	-2.0	-112.50	350.63	6.68	-105.82
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1C(=O)[O-]	REAL300000496188	0	37	-2.0	-112.07	342.41	5.97	-106.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1Cl	REAL300000496189	0	37	-2.0	-109.13	348.86	6.41	-102.72
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1	REAL300000496190	0	37	-2.0	-117.39	342.13	5.98	-111.41
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1C(=O)[O-]	REAL300000496191	0	40	-2.0	-114.39	351.42	6.47	-107.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1CC(=O)[O-]	REAL300000496192	0	41	-2.0	-114.30	367.57	5.41	-108.89
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=N1	REAL300000496193	0	37	-2.0	-101.57	343.36	6.47	-95.10
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=CC(C(=O)[O-])=C1Cl	REAL300000496194	0	37	-2.0	-110.07	348.33	6.23	-103.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1C(=O)[O-]	REAL300000496195	0	38	-2.0	-111.83	345.12	5.51	-106.32
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1C(=O)[O-]	REAL300000496196	0	37	-2.0	-106.96	350.87	6.34	-100.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=CC=C1C(=O)[O-]	REAL300000496197	0	37	-2.0	-99.71	333.10	5.83	-93.88
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=N1	REAL300000496198	0	37	-2.0	-109.81	336.63	6.12	-103.69
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1[N+](=O)[O-]	REAL300000496199	0	36	-2.0	-118.52	340.83	7.12	-111.40
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1F	REAL300000496200	0	34	-2.0	-116.51	320.72	5.31	-111.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C1C(=O)[O-]	REAL300000496201	0	37	-2.0	-105.23	342.05	5.95	-99.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=CC2=CC=CC=C21	REAL300000496202	0	40	-2.0	-120.67	358.14	7.40	-113.27
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C1	REAL300000496203	0	33	-2.0	-109.25	314.09	3.34	-105.91
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N1N=CC=N1	REAL300000496204	0	38	-2.0	-103.32	345.30	5.08	-98.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)=C(Cl)O1	REAL300000496205	0	31	-2.0	-99.87	317.20	4.26	-95.61
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3N3N=CC=N3)C=C2)CC1	REAL300000496206	0	41	-2.0	-105.98	363.22	7.17	-98.81
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3N3N=CC=N3)C=C2C1	REAL300000496207	0	41	-2.0	-100.59	362.18	7.17	-93.42
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N2N=CC=N2)C=C(C(=O)[O-])O1	REAL300000496208	0	37	-2.0	-104.31	335.07	5.41	-98.90
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000496214	0	40	-2.0	-102.30	356.41	7.93	-94.37
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000496221	0	40	-2.0	-114.41	355.94	8.81	-105.60
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000496227	0	40	-2.0	-105.83	354.70	8.91	-96.92
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000496233	0	40	-2.0	-116.68	351.40	8.79	-107.89
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000496253	0	44	-2.0	-125.92	373.56	8.89	-117.03
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000496254	0	44	-2.0	-108.45	382.41	9.98	-98.47
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000496258	0	43	-2.0	-116.63	367.53	9.34	-107.29
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000496269	0	40	-2.0	-115.22	360.23	8.97	-106.25
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000496270	0	40	-2.0	-112.20	363.92	9.17	-103.03
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000496286	0	46	-2.0	-120.90	377.16	9.61	-111.29
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000496289	0	40	-2.0	-116.54	351.50	9.01	-107.53
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000496294	0	46	-2.0	-109.02	398.29	10.48	-98.54
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000496301	0	37	-2.0	-110.73	344.60	7.84	-102.89
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000496304	0	43	-2.0	-118.63	361.98	9.17	-109.46
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000496315	0	44	-2.0	-106.55	382.02	8.97	-97.58
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000496337	0	41	-2.0	-115.03	358.05	8.14	-106.89
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000496340	0	44	-2.0	-127.39	364.56	7.56	-119.83
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000496357	0	40	-2.0	-106.30	359.33	8.71	-97.59
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000496360	0	46	-2.0	-122.78	380.67	9.79	-112.99
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000496375	0	37	-2.0	-113.00	343.05	7.83	-105.17
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000496377	0	44	-2.0	-122.39	378.69	8.85	-113.54
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1[O-]	REAL300000496385	1	41	-2.0	-121.54	344.81	7.79	-113.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC)C1=CC=C(C)C=C1C(=O)[O-]	REAL300000496387	0	46	-2.0	-111.04	377.58	10.12	-100.92
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000496393	0	40	-2.0	-115.14	348.02	8.07	-107.07
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000496401	0	44	-2.0	-110.11	377.80	7.98	-102.13
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000496418	0	43	-2.0	-110.78	369.95	9.23	-101.55
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=C(C)N=C([N-]C(C)=O)S1	REAL300000496434	1	43	-2.0	-105.68	379.21	5.26	-100.42
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000496448	0	40	-2.0	-122.75	349.70	8.10	-114.65
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000496485	0	40	-2.0	-103.38	360.28	8.97	-94.41
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000496486	0	40	-2.0	-105.67	355.94	8.82	-96.85
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000496489	0	37	-2.0	-105.75	342.45	8.15	-97.60
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000496491	0	40	-2.0	-108.13	361.04	8.98	-99.15
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000496492	0	43	-2.0	-117.11	371.56	9.60	-107.51
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000496494	0	40	-2.0	-102.56	351.25	8.99	-93.57
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000496495	0	40	-2.0	-103.43	363.91	9.18	-94.25
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C([O-])C(NC(C)=O)=C1	REAL300000496502	1	45	-2.0	-115.08	385.73	5.15	-109.93
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000496510	0	40	-2.0	-106.38	365.44	9.01	-97.37
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000496515	0	40	-3.0	-194.58	351.78	7.71	-186.87
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000496515	1	41	-2.0	-123.84	353.67	6.93	-116.91
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000496517	0	43	-2.0	-112.42	376.89	9.68	-102.74
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000496537	0	43	-2.0	-112.72	353.80	9.55	-103.17
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000496539	0	43	-2.0	-116.20	379.46	9.56	-106.64
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000496540	0	43	-2.0	-106.32	360.22	9.10	-97.22
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000496544	0	46	-2.0	-118.00	387.50	9.98	-108.02
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000496548	0	40	-2.0	-107.27	357.56	9.02	-98.25
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000496554	0	46	-2.0	-114.93	380.11	9.75	-105.18
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000496555	0	43	-2.0	-118.05	370.84	9.56	-108.49
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000496556	0	43	-2.0	-115.34	374.66	9.40	-105.94
CCC1=CC=C(S(=O)(=O)N(CC)C2=CC=C(C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000496560	0	46	-2.0	-117.06	385.32	9.98	-107.08
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1C	REAL300000496565	0	43	-2.0	-105.96	368.54	8.29	-97.67
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1[O-]	REAL300000496574	1	42	-2.0	-121.43	352.88	6.40	-115.03
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000496594	0	44	-2.0	-116.06	379.43	9.01	-107.05
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300000496653	1	40	-2.0	-105.80	364.62	4.63	-101.17
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000496687	0	43	-2.0	-105.68	367.51	9.36	-96.32
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000496720	0	43	-2.0	-120.93	368.04	9.17	-111.76
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=NC=C[N-]1	REAL300000496725	0	34	-2.0	-113.98	301.01	4.36	-109.62
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000496750	0	40	-2.0	-113.80	349.68	8.96	-104.84
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000496768	0	43	-2.0	-108.92	379.58	9.58	-99.34
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000496820	0	39	-2.0	-118.29	351.27	7.30	-110.99
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000496833	0	38	-2.0	-113.85	329.80	7.18	-106.67
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000496849	0	44	-2.0	-110.04	374.33	8.74	-101.30
CCN(C1=CC=C(C)C=C1C(=O)[O-])S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000496854	0	37	-2.0	-104.84	343.95	7.51	-97.33
CCC1=C(S(=O)(=O)N(CC)C2=CC=C(C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000497011	0	43	-2.0	-107.34	376.49	8.61	-98.73
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1OC	REAL300000497017	0	43	-2.0	-91.85	384.54	2.94	-88.91
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1OC	REAL300000497018	0	36	-2.0	-108.99	332.60	4.39	-104.60
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1OC	REAL300000497019	0	44	-2.0	-109.14	387.68	5.45	-103.69
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1OC	REAL300000497020	0	36	-2.0	-98.52	328.06	4.35	-94.17
COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1OC	REAL300000497021	0	36	-2.0	-110.58	328.08	4.36	-106.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1OC	REAL300000497022	0	40	-2.0	-116.52	356.20	4.15	-112.37
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1OC	REAL300000497023	0	40	-2.0	-97.87	359.53	5.65	-92.22
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1OC	REAL300000497024	0	39	-2.0	-111.83	344.09	4.89	-106.94
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1OC	REAL300000497025	0	36	-2.0	-106.47	341.14	4.93	-101.54
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1OC	REAL300000497026	0	36	-2.0	-107.42	340.57	4.75	-102.67
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1OC	REAL300000497027	0	42	-2.0	-114.01	360.74	5.69	-108.32
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1OC	REAL300000497028	0	36	-2.0	-108.37	333.53	4.41	-103.96
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1OC	REAL300000497029	0	42	-2.0	-97.25	371.65	5.94	-91.31
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1OC	REAL300000497030	0	33	-2.0	-105.71	321.25	3.37	-102.34
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1OC	REAL300000497031	0	39	-2.0	-111.79	343.50	5.13	-106.66
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1OC	REAL300000497032	0	40	-2.0	-96.54	359.15	4.63	-91.91
COC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1OC	REAL300000497033	0	37	-2.0	-109.82	334.72	3.70	-106.12
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1OC	REAL300000497034	0	40	-2.0	-112.39	351.85	3.20	-109.19
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1OC	REAL300000497035	0	36	-2.0	-101.30	337.18	4.03	-97.27
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1OC	REAL300000497036	0	42	-2.0	-113.00	359.53	5.67	-107.33
COC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1OC	REAL300000497037	0	33	-2.0	-107.23	319.73	3.39	-103.84
COC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1OC	REAL300000497038	0	44	-2.0	-111.87	386.41	4.17	-107.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2OC)C=C1C(=O)[O-]	REAL300000497039	0	40	-2.0	-117.47	355.36	4.42	-113.05
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1OC	REAL300000497040	0	46	-2.0	-115.83	383.30	6.98	-108.85
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1OC	REAL300000497041	0	45	-2.0	-113.97	381.92	6.37	-107.60
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1OC	REAL300000497042	0	42	-2.0	-109.75	350.55	5.85	-103.90
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1OC	REAL300000497043	0	43	-2.0	-117.62	378.49	4.91	-112.71
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1OC	REAL300000497044	0	38	-3.0	-187.28	356.47	4.92	-182.36
COC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1OC	REAL300000497044	1	39	-2.0	-107.39	356.44	4.86	-102.53
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1OC	REAL300000497045	0	43	-2.0	-115.13	372.31	6.25	-108.88
COC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1OC	REAL300000497046	0	36	-2.0	-104.03	331.07	3.49	-100.54
COC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1OC	REAL300000497047	0	42	-2.0	-116.41	370.23	4.13	-112.28
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1OC	REAL300000497048	0	40	-2.0	-112.08	356.98	3.43	-108.65
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1OC	REAL300000497049	0	44	-2.0	-96.69	381.00	4.95	-91.74
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1OC	REAL300000497050	0	36	-2.0	-103.09	345.66	4.96	-98.13
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1OC	REAL300000497051	0	43	-2.0	-96.96	379.23	5.34	-91.62
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1OC	REAL300000497052	0	39	-2.0	-102.32	348.78	5.16	-97.16
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1OC	REAL300000497053	0	40	-2.0	-95.80	365.36	4.70	-91.10
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2OC)C=C1C(=O)[O-]	REAL300000497054	0	43	-2.0	-116.97	377.22	5.33	-111.64
COC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1OC	REAL300000497055	0	36	-2.0	-108.03	337.76	4.23	-103.80
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1OC	REAL300000497056	0	36	-2.0	-95.98	341.12	4.93	-91.05
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1OC	REAL300000497057	0	36	-2.0	-97.86	332.58	4.40	-93.46
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1OC	REAL300000497058	0	33	-2.0	-100.09	320.33	3.48	-96.61
COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1OC	REAL300000497059	0	36	-2.0	-101.52	334.49	4.42	-97.10
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1OC	REAL300000497060	0	39	-2.0	-109.22	353.81	5.05	-104.17
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1OC	REAL300000497061	0	36	-2.0	-98.23	333.53	4.43	-93.80
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1OC	REAL300000497062	0	36	-2.0	-95.96	340.55	4.76	-91.20
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1OC	REAL300000497063	0	39	-2.0	-104.02	357.51	5.55	-98.47
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1OC	REAL300000497064	0	44	-2.0	-94.54	391.81	5.76	-88.78
COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1OC	REAL300000497065	0	36	-2.0	-100.40	338.89	4.45	-95.95
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1OC	REAL300000497066	0	38	-2.0	-95.76	356.26	5.03	-90.73
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1OC	REAL300000497067	0	37	-2.0	-109.41	337.78	2.07	-107.34
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1OC	REAL300000497068	0	39	-2.0	-103.23	350.25	5.13	-98.10
COC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1OC	REAL300000497069	0	36	-2.0	-101.88	348.78	4.89	-96.99
COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1OC	REAL300000497070	0	39	-2.0	-108.01	338.11	4.99	-103.02
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1OC	REAL300000497071	0	39	-2.0	-109.37	352.90	5.01	-104.36
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1OC	REAL300000497072	0	39	-2.0	-98.27	343.49	5.14	-93.13
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1OC	REAL300000497073	0	42	-2.0	-114.80	361.53	5.44	-109.36
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1OC	REAL300000497074	0	38	-2.0	-109.88	354.62	5.45	-104.43
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1OC	REAL300000497075	0	36	-2.0	-99.64	339.80	4.48	-95.16
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1OC	REAL300000497076	0	42	-2.0	-111.60	361.60	5.76	-105.84
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1OC	REAL300000497077	0	39	-2.0	-110.66	353.39	5.04	-105.62
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1OC	REAL300000497078	0	39	-2.0	-107.56	359.85	5.49	-102.07
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1OC	REAL300000497079	0	39	-2.0	-115.91	353.10	5.05	-110.86
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2OC)C=C1C(=O)[O-]	REAL300000497080	0	42	-2.0	-112.47	362.39	5.55	-106.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2OC)C=C1CC(=O)[O-]	REAL300000497081	0	43	-2.0	-111.84	378.54	4.49	-107.35
COC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1OC	REAL300000497082	0	39	-2.0	-100.31	354.33	5.54	-94.77
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1OC	REAL300000497083	0	39	-2.0	-108.23	359.30	5.31	-102.92
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2OC)C=C1C(=O)[O-]	REAL300000497084	0	40	-2.0	-111.15	356.01	4.56	-106.59
COC1=CC=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1OC	REAL300000497085	0	48	-2.0	-111.36	393.22	7.23	-104.13
COC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1OC	REAL300000497086	0	39	-2.0	-104.96	357.94	5.32	-99.64
COC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1OC	REAL300000497087	0	45	-2.0	-107.69	371.81	6.32	-101.37
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1OC	REAL300000497088	0	39	-2.0	-98.76	344.07	4.90	-93.86
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1OC	REAL300000497089	0	41	-2.0	-101.80	368.79	6.52	-95.28
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1OC	REAL300000497090	0	39	-2.0	-109.44	347.60	5.19	-104.25
COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1OC	REAL300000497091	0	38	-2.0	-117.40	350.15	6.14	-111.26
COC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1OC	REAL300000497092	0	36	-2.0	-115.10	331.70	4.38	-110.72
COC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1OC	REAL300000497093	0	39	-2.0	-103.18	349.24	4.93	-98.25
COC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1OC	REAL300000497094	0	42	-2.0	-118.87	369.11	6.48	-112.39
COC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1OC	REAL300000497095	0	35	-2.0	-107.83	325.05	2.42	-105.41
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC)=C1OC	REAL300000497096	0	40	-2.0	-102.63	356.27	4.15	-98.48
COC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1OC	REAL300000497097	0	33	-2.0	-98.29	328.17	3.32	-94.97
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1OC	REAL300000497098	0	43	-2.0	-105.27	372.66	6.19	-99.08
COC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1OC	REAL300000497099	0	43	-2.0	-100.03	373.15	6.24	-93.79
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC)=C2OC)C=C(C(=O)[O-])O1	REAL300000497100	0	39	-2.0	-103.54	350.20	4.34	-99.20
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000497101	0	40	-2.0	-90.77	362.42	0.08	-90.69
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000497102	0	33	-2.0	-107.62	310.49	1.53	-106.09
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC	REAL300000497103	0	41	-2.0	-108.01	365.58	2.59	-105.42
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000497104	0	33	-2.0	-97.45	305.94	1.50	-95.95
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000497105	0	33	-2.0	-109.59	305.96	1.49	-108.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC	REAL300000497106	0	37	-2.0	-114.96	334.10	1.29	-113.67
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000497107	0	37	-2.0	-96.84	337.41	2.79	-94.05
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000497108	0	36	-2.0	-110.81	321.98	2.02	-108.79
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000497109	0	33	-2.0	-105.00	319.03	2.07	-102.93
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000497110	0	33	-2.0	-106.09	318.47	1.89	-104.20
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000497111	0	33	-2.0	-100.65	331.53	2.44	-98.21
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000497112	0	39	-2.0	-112.01	339.07	2.81	-109.20
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000497113	0	33	-2.0	-106.86	311.44	1.56	-105.30
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000497114	0	39	-2.0	-96.19	349.53	3.08	-93.11
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000497115	0	30	-2.0	-104.00	299.15	0.51	-103.49
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000497116	0	36	-2.0	-110.11	321.40	2.27	-107.84
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000497117	1	37	-2.0	-95.60	337.03	1.77	-93.83
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000497118	0	34	-2.0	-108.50	312.61	0.84	-107.66
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000497119	1	37	-2.0	-111.44	329.74	0.32	-111.12
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000497120	0	33	-2.0	-100.27	315.09	1.18	-99.09
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000497121	1	39	-2.0	-112.09	337.41	2.80	-109.29
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000497122	0	30	-2.0	-105.35	297.61	0.53	-104.82
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000497123	0	41	-2.0	-110.12	364.28	1.31	-108.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC)C=C1C(=O)[O-]	REAL300000497124	1	37	-2.0	-116.19	333.25	1.56	-114.63
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000497125	0	43	-2.0	-114.22	361.20	4.11	-110.11
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000497126	0	42	-2.0	-112.38	359.86	3.50	-108.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC	REAL300000497127	0	39	-2.0	-108.80	336.08	3.20	-105.60
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1OC	REAL300000497128	0	40	-2.0	-115.57	356.39	2.05	-113.52
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000497129	0	35	-3.0	-185.49	334.37	2.06	-183.43
COC1=CC(O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000497129	1	36	-2.0	-107.88	334.41	2.00	-105.88
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000497130	0	40	-2.0	-115.21	350.20	3.38	-111.83
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000497131	0	33	-2.0	-103.38	308.97	0.63	-102.75
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000497132	0	39	-2.0	-114.53	348.12	1.27	-113.26
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000497133	0	37	-2.0	-111.03	334.92	0.58	-110.45
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000497134	1	41	-2.0	-96.43	358.88	2.09	-94.34
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000497135	0	33	-2.0	-99.25	333.64	2.35	-96.90
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000497136	0	33	-2.0	-101.68	323.56	2.08	-99.60
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000497137	0	37	-2.0	-94.05	353.07	2.31	-91.74
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000497138	1	40	-2.0	-96.05	357.11	2.48	-93.57
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000497139	0	43	-2.0	-94.78	385.71	2.74	-92.04
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000497140	0	36	-2.0	-101.36	326.67	2.29	-99.07
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000497141	1	46	-2.0	-96.03	399.57	3.41	-92.62
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000497142	0	37	-2.0	-95.00	343.26	1.83	-93.17
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC)C=C1C(=O)[O-]	REAL300000497143	1	40	-2.0	-116.15	355.11	2.46	-113.69
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000497144	0	33	-2.0	-106.65	314.59	1.39	-105.26
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000497145	0	33	-2.0	-98.89	334.19	2.51	-96.38
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000497146	0	33	-2.0	-94.85	319.01	2.06	-92.79
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000497147	0	33	-2.0	-96.89	310.50	1.53	-95.36
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000497148	0	30	-2.0	-99.04	298.22	0.61	-98.43
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000497149	0	33	-2.0	-100.52	312.38	1.55	-98.97
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000497150	0	36	-2.0	-108.33	331.71	2.19	-106.14
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000497151	0	37	-2.0	-99.56	346.27	2.11	-97.45
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000497152	0	33	-2.0	-97.00	311.43	1.57	-95.43
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000497153	0	33	-2.0	-94.92	318.46	1.90	-93.02
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000497154	0	36	-2.0	-103.00	335.40	2.68	-100.32
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000497155	0	41	-2.0	-93.59	369.69	2.91	-90.68
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000497156	0	33	-2.0	-98.64	316.78	1.59	-97.05
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000497157	0	35	-2.0	-95.08	334.15	2.16	-92.92
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000497158	0	34	-2.0	-109.44	315.68	-0.81	-110.25
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000497159	0	36	-2.0	-101.01	328.13	2.27	-98.74
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000497160	0	33	-2.0	-100.03	326.67	2.03	-98.00
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000497161	0	36	-2.0	-106.36	316.00	2.11	-104.25
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000497162	0	36	-2.0	-108.99	330.79	2.15	-106.84
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000497163	1	36	-2.0	-97.54	321.37	2.25	-95.29
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000497164	0	39	-2.0	-112.77	338.83	2.56	-110.21
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000497165	0	35	-2.0	-107.83	332.54	2.58	-105.25
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000497166	0	33	-2.0	-98.68	317.70	1.62	-97.06
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000497167	1	39	-2.0	-110.58	340.44	2.87	-107.71
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000497168	0	36	-2.0	-108.05	327.44	2.09	-105.96
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000497169	0	36	-2.0	-106.77	337.74	2.63	-104.14
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000497170	0	36	-2.0	-115.28	330.97	2.19	-113.09
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC)C=C1C(=O)[O-]	REAL300000497171	0	39	-2.0	-111.65	339.93	2.67	-108.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC)C=C1CC(=O)[O-]	REAL300000497172	1	40	-2.0	-112.69	356.43	1.62	-111.07
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000497173	0	36	-2.0	-99.18	332.22	2.66	-96.52
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000497174	0	36	-2.0	-93.90	336.09	2.31	-91.59
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000497175	0	36	-2.0	-107.93	337.18	2.45	-105.48
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC)C=C1C(=O)[O-]	REAL300000497176	0	37	-2.0	-109.86	333.98	1.71	-108.15
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000497177	1	45	-2.0	-110.06	371.11	4.36	-105.70
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000497178	0	33	-2.0	-97.56	331.56	2.05	-95.51
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000497179	0	36	-2.0	-103.05	335.82	2.46	-100.59
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000497180	0	42	-2.0	-106.03	355.39	3.62	-102.41
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000497181	0	37	-2.0	-110.56	346.29	2.12	-108.44
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000497182	0	36	-2.0	-99.19	326.03	2.13	-97.06
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000497183	0	38	-2.0	-101.95	349.21	3.67	-98.28
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000497184	1	36	-2.0	-107.40	325.91	2.30	-105.10
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000497185	0	35	-2.0	-116.61	329.69	3.32	-113.29
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000497186	0	33	-2.0	-113.81	309.60	1.51	-112.30
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000497187	0	36	-2.0	-101.36	327.12	2.07	-99.29
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000497188	0	39	-2.0	-117.94	346.99	3.61	-114.33
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000497189	0	32	-2.0	-107.90	302.17	-0.39	-108.29
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000497190	0	37	-2.0	-101.64	334.16	1.29	-100.35
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000497191	0	30	-2.0	-97.49	306.07	0.46	-97.03
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000497192	0	40	-2.0	-103.86	352.09	3.37	-100.49
COC1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000497193	0	40	-2.0	-106.79	350.05	3.36	-103.43
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2OC)C=C(C(=O)[O-])O1	REAL300000497194	0	36	-2.0	-103.13	328.09	1.47	-101.66
COC(=O)C1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1Cl	REAL300000497197	1	31	-2.0	-94.77	336.25	5.30	-89.47
COC(=O)C1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1Cl	REAL300000497201	1	31	-2.0	-89.77	335.32	5.42	-84.35
COC(=O)C1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1Cl	REAL300000497202	0	33	-2.0	-96.83	339.27	4.41	-92.42
CC1=CC=C(N(CC2CC2)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000497227	0	44	-2.0	-109.31	393.23	10.18	-99.13
CC1=CC=C(N(CC2CC2)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000497247	0	42	-2.0	-112.78	355.67	7.97	-104.81
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1	REAL300000497286	0	34	-2.0	-82.59	333.81	2.29	-80.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC=C1F	REAL300000497287	0	27	-2.0	-97.95	281.89	3.73	-94.22
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1	REAL300000497288	0	35	-2.0	-99.37	336.97	4.80	-94.57
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497289	0	27	-2.0	-95.62	293.77	4.41	-91.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1	REAL300000497290	0	27	-2.0	-88.24	277.34	3.71	-84.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497291	0	27	-2.0	-100.13	277.35	3.70	-96.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1	REAL300000497292	0	31	-2.0	-105.41	305.50	3.50	-101.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC=C1Br	REAL300000497293	0	27	-2.0	-95.63	293.60	4.19	-91.44
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1	REAL300000497294	0	31	-2.0	-88.33	308.80	5.01	-83.32
CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000497295	0	30	-2.0	-102.40	297.42	4.34	-98.06
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497296	0	27	-2.0	-96.13	290.42	4.27	-91.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC=C1Cl	REAL300000497297	0	27	-2.0	-96.13	289.86	4.09	-92.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C(Cl)C=C1Cl	REAL300000497298	0	27	-2.0	-91.87	302.93	4.65	-87.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1C	REAL300000497299	0	33	-2.0	-103.42	310.02	5.05	-98.37
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497300	0	27	-2.0	-97.37	282.83	3.77	-93.60
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1	REAL300000497301	0	33	-2.0	-87.48	320.93	5.28	-82.20
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497302	0	24	-2.0	-94.33	270.54	2.73	-91.60
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1	REAL300000497303	0	30	-2.0	-101.38	292.79	4.48	-96.90
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1	REAL300000497304	0	31	-2.0	-86.98	308.42	3.98	-83.00
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CN=CC(Cl)=C3)C=C2)C1	REAL300000497305	0	38	-2.0	-83.64	354.19	4.75	-78.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C(Br)S1	REAL300000497306	0	24	-2.0	-91.63	287.53	3.49	-88.14
CN1C=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000497307	0	28	-2.0	-98.50	284.00	3.06	-95.44
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1	REAL300000497308	0	31	-2.0	-101.80	301.56	2.52	-99.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497309	0	27	-2.0	-90.85	286.46	3.39	-87.46
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000497310	0	33	-2.0	-102.47	308.81	5.02	-97.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CS1	REAL300000497311	0	24	-2.0	-95.74	269.00	2.73	-93.01
COC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC(C(=O)[O-])=C1OC	REAL300000497312	0	35	-2.0	-100.41	335.66	3.51	-96.90
COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000497313	0	31	-2.0	-105.85	304.64	3.77	-102.08
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497314	0	37	-2.0	-104.86	332.61	6.33	-98.53
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1	REAL300000497315	0	36	-2.0	-103.48	331.25	5.71	-97.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1	REAL300000497316	0	33	-2.0	-100.06	307.48	5.43	-94.63
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1	REAL300000497317	0	34	-2.0	-105.63	327.78	4.27	-101.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000497318	0	29	-3.0	-173.29	305.77	4.27	-169.02
O=C([O-])C1=CC(S(=O)(=O)NC2=CN=CC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300000497318	1	30	-2.0	-107.20	312.45	4.16	-103.04
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497319	0	34	-2.0	-105.17	321.62	5.60	-99.57
CC1=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000497320	0	27	-2.0	-94.61	280.36	2.85	-91.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC2=C1OCCO2	REAL300000497321	0	33	-2.0	-104.63	319.52	3.47	-101.16
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497322	0	31	-2.0	-101.14	306.34	2.79	-98.35
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN=CC(Cl)=C3)C=C2C1	REAL300000497323	0	35	-2.0	-87.35	330.28	4.31	-83.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC(Cl)=C1Cl	REAL300000497324	0	27	-2.0	-89.98	305.04	4.55	-85.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C(Cl)C=C1F	REAL300000497325	0	27	-2.0	-93.12	294.95	4.28	-88.84
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1Cl	REAL300000497326	0	31	-2.0	-85.66	324.45	4.53	-81.13
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC=C1OCC(=O)[O-]	REAL300000497327	0	34	-2.0	-87.40	328.51	4.69	-82.71
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1F	REAL300000497328	0	37	-2.0	-86.71	357.09	4.95	-81.76
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1	REAL300000497329	0	30	-2.0	-92.18	298.06	4.52	-87.66
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC=C1OCCCC(=O)[O-]	REAL300000497330	0	40	-2.0	-87.74	370.96	5.61	-82.13
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1F	REAL300000497331	0	31	-2.0	-86.68	314.65	4.05	-82.63
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000497332	0	34	-2.0	-106.50	326.49	4.69	-101.81
CC1=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000497333	0	27	-2.0	-98.00	285.95	3.59	-94.41
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497334	0	27	-2.0	-90.04	305.57	4.72	-85.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C(Cl)=C1	REAL300000497335	0	27	-2.0	-85.92	290.41	4.27	-81.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C(Br)=C1	REAL300000497336	0	27	-2.0	-85.61	293.75	4.41	-81.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1F	REAL300000497337	0	27	-2.0	-87.95	281.89	3.74	-84.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)S1	REAL300000497338	0	24	-2.0	-89.55	269.63	2.82	-86.73
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497339	0	27	-2.0	-91.24	283.76	3.77	-87.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1F	REAL300000497340	0	30	-2.0	-98.55	303.10	4.40	-94.15
COC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000497341	0	31	-2.0	-90.57	317.66	4.32	-86.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C(F)=C1	REAL300000497342	0	27	-2.0	-87.42	282.82	3.78	-83.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1Cl	REAL300000497343	0	27	-2.0	-85.93	289.86	4.11	-81.82
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1	REAL300000497344	0	30	-2.0	-93.77	306.79	4.90	-88.87
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1	REAL300000497345	0	35	-2.0	-85.36	341.10	5.11	-80.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1Br	REAL300000497346	0	27	-2.0	-85.42	293.60	4.20	-81.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC(F)=C1F	REAL300000497347	0	27	-2.0	-89.72	288.19	3.80	-85.92
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497348	0	29	-2.0	-85.62	305.56	4.37	-81.25
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497349	0	28	-2.0	-100.53	287.07	1.42	-99.11
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1	REAL300000497350	0	30	-2.0	-92.09	299.53	4.48	-87.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC(Cl)=C1F	REAL300000497351	0	27	-2.0	-91.10	298.07	4.23	-86.87
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1	REAL300000497352	0	30	-2.0	-96.32	286.90	4.36	-91.96
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC(C(=O)[O-])=C1F	REAL300000497353	0	30	-2.0	-99.04	302.21	4.35	-94.69
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1	REAL300000497354	0	30	-2.0	-88.74	292.77	4.47	-84.27
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC(C(=O)[O-])=C1C	REAL300000497355	0	33	-2.0	-102.79	310.24	4.77	-98.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC=C1[N+](=O)[O-]	REAL300000497356	0	29	-2.0	-99.14	303.91	4.78	-94.36
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497357	0	27	-2.0	-89.17	289.11	3.83	-85.34
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)S1	REAL300000497358	0	24	-2.0	-87.43	289.93	3.40	-84.03
CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000497359	0	33	-2.0	-100.36	311.83	5.09	-95.27
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000497360	0	30	-2.0	-98.24	298.83	4.30	-93.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1Cl	REAL300000497361	0	30	-2.0	-97.63	309.13	4.84	-92.79
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497362	0	30	-2.0	-104.36	302.37	4.39	-99.97
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000497363	0	33	-2.0	-101.62	311.60	4.88	-96.74
COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1CC(=O)[O-]	REAL300000497364	0	34	-2.0	-102.03	327.83	3.83	-98.20
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1	REAL300000497365	0	30	-2.0	-89.74	303.62	4.89	-84.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1C(F)(F)F	REAL300000497366	0	30	-2.0	-85.03	307.47	4.52	-80.51
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000497367	0	30	-2.0	-97.62	308.59	4.66	-92.96
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497368	0	27	-2.0	-92.99	298.64	4.32	-88.67
CCN1C=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000497369	0	31	-2.0	-99.69	305.38	3.92	-95.77
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C(C)=C1CC(=O)[O-]	REAL300000497370	0	39	-2.0	-99.69	342.27	6.55	-93.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C(F)C(Cl)=C1F	REAL300000497371	0	27	-2.0	-88.19	302.93	4.26	-83.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C(OC(F)(F)F)=C1	REAL300000497372	0	31	-2.0	-87.27	322.06	3.99	-83.28
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000497373	0	30	-2.0	-94.54	311.09	4.77	-89.77
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000497374	0	36	-2.0	-97.99	326.79	5.84	-92.15
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000497375	0	31	-2.0	-101.53	317.68	4.33	-97.20
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000497376	0	30	-2.0	-88.23	293.36	4.25	-83.98
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C([N+](=O)[O-])=C1	REAL300000497377	0	32	-2.0	-92.77	320.63	5.91	-86.86
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1	REAL300000497378	0	30	-2.0	-99.36	296.89	4.53	-94.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1[N+](=O)[O-]	REAL300000497379	0	29	-2.0	-107.24	301.08	5.55	-101.69
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1F	REAL300000497380	0	27	-2.0	-103.88	281.01	3.73	-100.15
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000497381	0	30	-2.0	-92.79	302.30	4.38	-88.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC2=CC=CC=C21	REAL300000497382	0	33	-2.0	-107.92	318.40	5.83	-102.09
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497383	0	26	-2.0	-97.34	274.34	1.76	-95.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=CC(Cl)=C1	REAL300000497384	0	31	-2.0	-92.18	305.56	3.50	-88.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C(Cl)O1	REAL300000497385	0	24	-2.0	-88.27	277.50	2.69	-85.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=CC=C1OC(F)(F)F	REAL300000497386	0	31	-2.0	-95.59	321.14	4.25	-91.34
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)=C1	REAL300000497387	0	30	-2.0	-91.27	320.70	0.74	-90.53
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN=CC(Cl)=C3)C=C2)CC1	REAL300000497388	0	34	-2.0	-94.81	323.48	5.58	-89.23
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN=CC(Cl)=C3)C=C2C1	REAL300000497389	0	34	-2.0	-97.53	322.82	5.58	-91.95
CCC1=C(S(=O)(=O)[N-]C2=CN=CC(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000497390	0	30	-2.0	-94.62	299.49	3.70	-90.92
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3F)C=C2)=C1	REAL300000497393	0	36	-2.0	-105.67	355.19	6.96	-98.71
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3F)C=C2)C=C1C(=O)[O-]	REAL300000497394	1	40	-2.0	-104.10	368.24	7.30	-96.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3F)C=C2)=CS1	REAL300000497395	1	36	-2.0	-107.20	353.69	6.98	-100.22
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3F)C=C2)C=C(C(=O)[O-])O1	REAL300000497396	0	39	-2.0	-105.33	365.01	7.10	-98.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3F)C=C2)S1	REAL300000497397	0	36	-2.0	-100.05	354.28	7.09	-92.96
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3F)C=C2)=C1	REAL300000497398	0	38	-2.0	-108.47	358.22	6.07	-102.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C(F)C(F)=C1F	REAL300000497402	0	28	-2.0	-109.36	286.63	5.54	-103.82
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C(F)C(F)=C1F	REAL300000497403	0	31	-2.0	-101.63	316.19	4.82	-96.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C(F)C(F)=C1F	REAL300000497404	1	27	-2.0	-93.23	289.98	3.90	-89.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C(F)C(F)=C1F	REAL300000497407	1	28	-2.0	-98.93	300.34	5.85	-93.08
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=CC=C1F	REAL300000497408	0	31	-2.0	-125.89	315.69	5.70	-120.19
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C1	REAL300000497412	0	31	-2.0	-99.76	311.06	5.67	-94.09
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497413	1	36	-2.0	-110.28	335.86	4.34	-105.94
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497416	0	30	-2.0	-92.97	291.20	4.23	-88.74
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497417	0	31	-2.0	-93.43	311.17	5.67	-87.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C(F)C(F)=C1F	REAL300000497422	1	31	-2.0	-105.71	304.00	6.65	-99.06
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497430	1	34	-2.0	-114.99	323.36	6.64	-108.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C(F)C(F)=C1F	REAL300000497434	0	25	-2.0	-94.98	287.10	4.90	-90.08
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497436	1	32	-2.0	-109.03	306.38	5.05	-103.98
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C1C(=O)[O-]	REAL300000497437	0	34	-2.0	-94.32	330.60	6.29	-88.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C(F)C(F)=C1F	REAL300000497438	1	28	-2.0	-97.08	296.18	5.44	-91.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C(F)C(F)=C1F	REAL300000497439	1	28	-2.0	-103.81	291.26	5.82	-97.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CS2)=C(F)C(F)=C1F	REAL300000497442	0	25	-2.0	-100.43	270.05	4.27	-96.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C(F)C(F)=C1F	REAL300000497444	0	30	-2.0	-114.31	299.22	6.67	-107.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C(F)C(F)=C1F	REAL300000497447	1	28	-2.0	-98.26	290.01	5.40	-92.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)S1	REAL300000497457	1	28	-2.0	-101.45	291.95	5.07	-96.38
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497458	1	32	-2.0	-102.19	323.10	5.57	-96.62
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497459	0	31	-2.0	-92.25	314.77	5.37	-86.88
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497459	1	30	-3.0	-166.19	312.05	5.89	-160.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C(F)C(F)=C1F	REAL300000497461	1	28	-2.0	-101.39	290.02	5.40	-95.99
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497466	0	27	-3.0	-163.02	299.77	4.86	-158.16
O=C([O-])C1=CSC(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497466	1	28	-2.0	-93.42	305.97	4.76	-88.66
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497468	0	34	-2.0	-122.95	327.50	6.53	-116.42
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497469	1	34	-2.0	-101.09	314.82	4.31	-96.78
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=CS1	REAL300000497475	1	31	-2.0	-111.56	317.70	5.57	-105.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C(F)C(F)=C1F	REAL300000497480	1	28	-2.0	-106.53	283.62	5.33	-101.20
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497481	0	34	-2.0	-114.73	331.00	3.83	-110.90
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=C(F)C(F)=C3F)=C2N=C1	REAL300000497482	1	36	-2.0	-118.09	339.47	6.55	-111.54
CN1C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C1C(=O)[O-]	REAL300000497489	0	32	-2.0	-94.00	319.44	5.07	-88.93
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1Cl	REAL300000497490	0	28	-2.0	-108.63	295.60	4.84	-103.79
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C1C(N)=O	REAL300000497491	1	33	-2.0	-100.37	320.07	1.44	-98.93
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=N1	REAL300000497497	1	28	-2.0	-99.40	282.67	2.99	-96.41
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=CN1C	REAL300000497499	1	36	-2.0	-100.87	342.00	2.93	-97.94
O=C([O-])C1=CC([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C(F)C(F)=C1F	REAL300000497501	1	35	-2.0	-95.23	337.65	5.69	-89.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497503	0	31	-2.0	-105.79	321.88	5.42	-100.37
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497503	1	30	-3.0	-158.60	315.70	5.52	-153.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C(F)C(F)=C1F	REAL300000497508	1	28	-2.0	-103.58	299.79	5.82	-97.76
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497511	1	31	-2.0	-106.66	305.02	6.00	-100.66
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497513	0	33	-2.0	-116.38	311.75	7.50	-108.88
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=CS1	REAL300000497514	0	28	-2.0	-118.45	304.12	4.76	-113.69
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C(F)C(F)=C1F	REAL300000497515	0	30	-2.0	-108.20	303.06	6.69	-101.51
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497518	1	32	-2.0	-102.99	308.39	4.39	-98.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2)=C(F)C(F)=C1F	REAL300000497519	1	25	-2.0	-96.83	259.71	1.68	-95.15
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)S1	REAL300000497520	0	31	-2.0	-95.51	326.00	5.03	-90.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C(F)C(F)=C1F	REAL300000497522	0	28	-2.0	-99.38	293.04	5.61	-93.77
CC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C(C(=O)[O-])O1	REAL300000497523	0	31	-2.0	-122.83	313.19	4.43	-118.40
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C(C(=O)[O-])O1	REAL300000497523	1	30	-3.0	-161.19	309.59	4.97	-156.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C(F)C(F)=C1F	REAL300000497524	0	31	-2.0	-121.98	306.32	4.46	-117.52
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497525	1	38	-2.0	-110.65	349.65	6.64	-104.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C(F)C(F)=C1F	REAL300000497527	0	30	-2.0	-117.33	304.15	6.88	-110.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C(F)C(F)=C1F	REAL300000497528	1	35	-2.0	-100.75	338.69	6.40	-94.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C(F)C(F)=C1F	REAL300000497529	1	27	-2.0	-93.39	279.55	3.54	-89.85
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497530	0	31	-2.0	-100.74	326.17	4.94	-95.80
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497532	0	28	-2.0	-109.50	282.14	4.36	-105.14
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=C(F)C(F)=C3F)C=C12	REAL300000497534	1	32	-2.0	-93.14	317.88	2.24	-90.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C(F)C(F)=C1F	REAL300000497535	1	28	-2.0	-104.48	289.89	5.38	-99.10
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(F)=C1	REAL300000497536	0	32	-2.0	-104.67	316.10	4.84	-99.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C(F)C(F)=C1F	REAL300000497537	1	34	-2.0	-107.85	321.26	4.91	-102.94
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=CN1C	REAL300000497538	0	31	-2.0	-112.05	301.82	4.15	-107.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C(F)C(F)=C1F	REAL300000497539	1	32	-2.0	-104.64	316.14	5.31	-99.33
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=N1	REAL300000497540	1	31	-2.0	-99.49	304.20	3.84	-95.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C(F)C(F)=C1F	REAL300000497543	1	28	-2.0	-99.02	297.66	5.90	-93.12
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497545	1	28	-2.0	-97.54	278.51	2.31	-95.23
CN1C=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=N1	REAL300000497548	0	28	-2.0	-108.12	283.14	2.81	-105.31
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497549	1	28	-2.0	-94.38	278.36	2.90	-91.48
COCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497550	1	28	-2.0	-95.68	275.03	2.08	-93.60
O=C([O-])C1=CC([N-]S(=O)(=O)CC2CCCO2)=C(F)C(F)=C1F	REAL300000497551	1	32	-2.0	-104.12	297.50	3.49	-100.63
O=C([O-])C1=CC([N-]S(=O)(=O)CC2CCCCO2)=C(F)C(F)=C1F	REAL300000497552	1	35	-2.0	-102.67	315.00	4.54	-98.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(F)=C1	REAL300000497553	1	31	-2.0	-106.03	305.02	6.00	-100.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC=N2)=C(F)C(F)=C1F	REAL300000497555	0	25	-2.0	-107.75	259.43	2.66	-105.09
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)O1	REAL300000497556	0	31	-2.0	-95.94	317.67	4.05	-91.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C(F)C(F)=C1F	REAL300000497557	1	33	-2.0	-118.16	318.06	5.92	-112.24
CC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C(C(=O)[O-])S1	REAL300000497558	0	31	-2.0	-118.09	322.39	5.63	-112.46
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497559	1	32	-2.0	-104.19	320.73	5.13	-99.06
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=CN=C1Cl	REAL300000497560	1	30	-2.0	-93.91	308.77	4.48	-89.43
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497561	0	34	-2.0	-109.19	336.29	2.86	-106.33
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497564	1	40	-2.0	-101.60	357.24	5.88	-95.72
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)SC=C1	REAL300000497565	1	28	-2.0	-101.73	286.35	5.08	-96.65
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1C	REAL300000497566	1	37	-2.0	-101.18	336.63	5.18	-96.00
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497570	0	32	-2.0	-103.73	315.77	5.71	-98.02
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(F)=C1	REAL300000497573	1	29	-2.0	-98.00	304.41	5.72	-92.28
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=N1	REAL300000497575	1	34	-2.0	-99.50	322.89	4.37	-95.13
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=N1	REAL300000497577	1	34	-2.0	-104.91	337.50	4.05	-100.86
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=CN1	REAL300000497578	0	34	-2.0	-109.29	322.09	3.71	-105.58
CC(C)OCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497581	1	34	-2.0	-96.17	317.16	3.79	-92.38
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=CN1C	REAL300000497582	1	35	-2.0	-104.92	339.29	5.38	-99.54
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C1F	REAL300000497583	0	31	-2.0	-103.98	315.64	5.70	-98.28
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)S1	REAL300000497585	0	28	-2.0	-104.70	305.02	4.86	-99.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)S1	REAL300000497585	1	27	-3.0	-157.29	298.85	4.96	-152.33
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497586	0	37	-2.0	-108.84	342.70	6.24	-102.60
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497587	0	31	-2.0	-115.72	317.54	5.73	-109.99
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(F)=C1	REAL300000497589	0	31	-2.0	-95.78	314.73	5.37	-90.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(F)=C1	REAL300000497589	1	30	-3.0	-155.55	312.04	5.90	-149.65
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=CS1	REAL300000497591	1	31	-2.0	-101.21	325.40	4.95	-96.26
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)S1	REAL300000497592	0	30	-2.0	-98.46	302.40	3.86	-94.60
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497596	0	34	-2.0	-96.98	336.02	4.71	-92.27
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C(F)C=C1F	REAL300000497598	1	31	-2.0	-98.40	310.33	6.03	-92.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C(F)C(F)=C1F	REAL300000497600	1	30	-2.0	-99.65	310.11	4.74	-94.91
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497601	0	31	-3.0	-169.81	315.36	4.31	-165.50
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497601	1	32	-2.0	-117.49	322.19	3.46	-114.03
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C1	REAL300000497603	0	34	-2.0	-99.26	333.37	6.45	-92.81
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)O1	REAL300000497604	0	34	-2.0	-96.10	339.53	4.98	-91.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C(F)C(F)=C1F	REAL300000497605	1	30	-2.0	-91.73	312.76	6.00	-85.73
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)SC=C1	REAL300000497606	0	29	-2.0	-109.63	300.29	3.54	-106.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C(F)C(F)=C1F	REAL300000497607	0	31	-2.0	-103.71	307.89	5.66	-98.05
CC1=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=C(F)C(F)=C3F)C=CC=C2C=C1	REAL300000497608	1	36	-2.0	-119.90	339.64	6.51	-113.39
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497609	0	30	-2.0	-106.82	311.37	4.00	-102.82
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497610	1	28	-2.0	-92.43	294.17	4.18	-88.25
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)N=C1Cl	REAL300000497611	0	28	-2.0	-106.54	298.47	4.09	-102.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C(F)C(F)=C1F	REAL300000497613	1	29	-2.0	-107.02	293.96	4.01	-103.01
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497614	1	29	-2.0	-93.69	300.34	3.09	-90.60
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)S1	REAL300000497615	0	27	-2.0	-98.23	286.65	3.09	-95.14
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497616	0	34	-2.0	-93.66	322.04	6.39	-87.27
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497617	1	35	-2.0	-98.57	330.52	2.31	-96.26
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497618	0	34	-2.0	-101.37	327.48	6.52	-94.85
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C1F	REAL300000497619	1	31	-2.0	-101.17	310.34	6.04	-95.13
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497621	0	34	-2.0	-108.72	323.57	5.65	-103.07
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=N1	REAL300000497622	1	33	-2.0	-93.94	328.87	4.09	-89.85
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=N1	REAL300000497624	1	35	-2.0	-98.02	337.88	2.89	-95.13
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C([N+](=O)[O-])=N1	REAL300000497625	0	33	-2.0	-107.53	328.44	6.08	-101.45
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)S1	REAL300000497627	0	37	-2.0	-101.74	351.12	6.91	-94.83
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497628	0	34	-2.0	-108.62	325.45	6.02	-102.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C(F)C(F)=C1F	REAL300000497629	1	36	-2.0	-97.86	336.16	3.03	-94.83
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1F	REAL300000497630	1	31	-2.0	-107.49	303.94	5.98	-101.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C(F)C(F)=C1F	REAL300000497632	0	35	-2.0	-112.61	324.07	5.30	-107.31
COC1=CC=C([O-])C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497634	1	33	-2.0	-101.61	316.45	3.01	-98.60
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1Cl	REAL300000497635	1	31	-2.0	-104.58	309.99	6.42	-98.16
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C(C)O1	REAL300000497637	1	31	-2.0	-99.93	301.08	4.84	-95.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)O1	REAL300000497641	0	28	-2.0	-101.20	282.72	4.08	-97.12
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497642	1	31	-2.0	-102.28	311.77	5.68	-96.60
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C2=NC=CC=C2C=C1	REAL300000497644	1	36	-2.0	-118.35	331.75	7.04	-111.31
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C(F)C(F)=C1F	REAL300000497646	1	30	-2.0	-89.53	310.87	5.95	-83.58
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C(C)O1	REAL300000497648	1	34	-2.0	-96.48	335.99	4.82	-91.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C(F)C(F)=C1F	REAL300000497649	1	27	-2.0	-93.63	289.89	3.96	-89.67
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)N=C1C	REAL300000497650	0	34	-2.0	-111.81	323.89	5.06	-106.75
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497651	1	31	-2.0	-103.99	312.67	6.50	-97.49
CCN1C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C1C(=O)[O-]	REAL300000497652	0	35	-2.0	-94.41	340.82	5.94	-88.47
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497653	0	31	-2.0	-100.11	318.01	4.00	-96.11
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497654	1	40	-2.0	-102.27	357.61	5.82	-96.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C(F)C(F)=C1F	REAL300000497655	0	28	-2.0	-106.62	294.18	6.07	-100.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(Cl)=N1	REAL300000497656	1	30	-2.0	-101.58	308.03	4.58	-97.00
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497657	1	33	-2.0	-100.93	327.16	5.46	-95.47
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)S1	REAL300000497658	0	30	-2.0	-97.78	308.14	3.84	-93.94
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)S1	REAL300000497659	0	30	-2.0	-96.47	316.25	5.60	-90.87
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=CN=C1Cl	REAL300000497660	1	31	-2.0	-92.09	318.97	3.22	-88.87
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(Cl)=C1	REAL300000497662	1	29	-2.0	-95.78	312.02	6.22	-89.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C(F)C(F)=C1F	REAL300000497663	1	31	-2.0	-110.66	306.06	5.59	-105.07
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497664	1	33	-2.0	-98.38	328.10	4.12	-94.26
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497667	0	28	-2.0	-95.46	307.11	5.49	-89.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C(F)C(F)=C1F	REAL300000497669	1	31	-2.0	-98.10	317.19	4.13	-93.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CO2)=C(F)C(F)=C1F	REAL300000497673	0	25	-2.0	-100.13	260.80	3.26	-96.87
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497674	0	27	-2.0	-89.75	272.59	1.68	-88.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C(F)C(F)=C1F	REAL300000497676	1	27	-2.0	-93.40	299.29	5.04	-88.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C(F)C(F)=C1F	REAL300000497678	1	32	-2.0	-105.04	306.25	4.71	-100.33
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497679	1	29	-2.0	-99.09	312.04	6.22	-92.87
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497681	1	36	-2.0	-115.44	332.10	5.75	-109.69
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497683	1	31	-2.0	-106.66	297.72	6.23	-100.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)=C(F)C(F)=C1F	REAL300000497684	1	32	-2.0	-115.24	316.51	5.34	-109.90
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=C(F)C(F)=C3F)C=CC=C12	REAL300000497685	1	36	-2.0	-118.02	336.01	6.45	-111.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C(F)C(F)=C1F	REAL300000497686	1	29	-2.0	-108.97	302.90	3.58	-105.39
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497687	1	31	-2.0	-98.79	302.72	2.73	-96.06
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)S1	REAL300000497689	0	31	-2.0	-105.48	323.08	2.76	-102.72
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(N)=NO1	REAL300000497693	0	29	-2.0	-92.83	285.66	2.64	-90.19
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497694	1	32	-2.0	-105.11	323.11	5.57	-99.54
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)S1	REAL300000497698	0	26	-2.0	-93.27	290.64	4.82	-88.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C(F)C(F)=C1F	REAL300000497700	1	33	-2.0	-101.97	319.31	5.63	-96.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C(F)C(F)=C1F	REAL300000497702	1	27	-2.0	-88.52	295.86	3.94	-84.58
COC(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497703	1	31	-2.0	-100.64	294.14	3.04	-97.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(F)=C1	REAL300000497704	1	32	-2.0	-103.66	313.10	4.63	-99.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C(F)C(F)=C1F	REAL300000497705	1	34	-2.0	-101.18	323.85	5.77	-95.41
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)N(C)N=C1	REAL300000497708	1	31	-2.0	-95.24	294.99	3.73	-91.51
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)O1	REAL300000497709	0	26	-2.0	-93.92	282.05	3.80	-90.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC=C2)=C(F)C(F)=C1F	REAL300000497711	1	25	-2.0	-98.90	260.65	3.15	-95.75
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=CC=C1C(=O)[O-]	REAL300000497712	0	34	-2.0	-97.39	327.57	6.24	-91.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C(F)C(F)=C1F	REAL300000497714	1	28	-2.0	-101.40	300.35	5.85	-95.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C(F)C(F)=C1F	REAL300000497715	1	31	-2.0	-103.80	314.64	6.63	-97.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C(F)C(F)=C1F	REAL300000497716	1	31	-2.0	-106.44	304.73	3.90	-102.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C(F)C(F)=C1F	REAL300000497719	0	25	-2.0	-100.68	286.10	4.73	-95.95
CC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497720	0	28	-2.0	-100.55	291.69	4.94	-95.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C(F)C(F)=C1F	REAL300000497721	0	25	-2.0	-98.01	276.40	2.07	-95.94
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C(F)C(F)=C1F	REAL300000497722	0	27	-2.0	-96.66	285.05	3.37	-93.29
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497723	1	37	-2.0	-96.58	342.66	4.32	-92.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C(F)C(F)=C1F	REAL300000497726	0	31	-2.0	-98.04	314.31	5.73	-92.31
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497727	1	33	-2.0	-111.22	319.28	4.84	-106.38
CC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497728	0	27	-2.0	-94.79	286.62	3.55	-91.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C(F)C(F)=C1F	REAL300000497731	0	25	-2.0	-102.84	276.40	4.32	-98.52
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)CC1	REAL300000497734	1	32	-2.0	-105.04	299.68	4.31	-100.73
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497735	1	28	-2.0	-124.70	283.47	1.20	-123.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NC=CN2)=C(F)C(F)=C1F	REAL300000497736	0	25	-2.0	-103.47	259.75	1.84	-101.63
O=C([O-])C1=CC(NS(=O)(=O)C2=NC=C[N-]2)=C(F)C(F)=C1F	REAL300000497736	1	25	-2.0	-95.34	262.39	1.22	-94.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C(F)C(F)=C1F	REAL300000497737	0	33	-2.0	-106.85	315.11	2.19	-104.66
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)S1	REAL300000497738	1	31	-2.0	-102.74	308.24	5.89	-96.85
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=NN1C	REAL300000497741	1	31	-2.0	-100.15	298.79	3.49	-96.66
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497743	1	31	-2.0	-100.29	301.51	3.62	-96.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C(F)C(F)=C1F	REAL300000497744	0	28	-2.0	-98.97	293.77	2.78	-96.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C(F)C(F)=C1F	REAL300000497745	0	34	-2.0	-96.28	324.41	5.20	-91.08
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1F	REAL300000497747	0	31	-2.0	-115.95	312.92	5.33	-110.62
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1F	REAL300000497747	1	30	-3.0	-176.00	310.22	5.85	-170.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C(F)C(F)=C1F	REAL300000497748	1	30	-2.0	-112.67	309.32	4.69	-107.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C(F)C(F)=C1F	REAL300000497750	1	34	-2.0	-109.77	328.64	7.59	-102.18
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497751	1	31	-2.0	-103.62	305.25	6.77	-96.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C(F)C(F)=C1F	REAL300000497752	1	33	-2.0	-111.69	314.43	5.09	-106.60
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F)OC	REAL300000497753	1	34	-2.0	-99.88	313.27	3.81	-96.07
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497754	1	40	-2.0	-100.56	348.48	4.84	-95.72
O=C([O-])C1=CC([N-]S(=O)(=O)CCOCC2CC2)=C(F)C(F)=C1F	REAL300000497755	1	35	-2.0	-96.13	328.56	4.63	-91.50
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(F)=C1	REAL300000497756	0	31	-2.0	-108.32	308.04	6.22	-102.10
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C1CC1	REAL300000497758	1	35	-2.0	-100.00	323.05	4.59	-95.41
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497759	1	32	-2.0	-105.27	312.79	5.11	-100.16
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C1CCOCC1	REAL300000497760	1	42	-2.0	-101.12	360.88	3.71	-97.41
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497762	0	27	-2.0	-92.75	275.08	3.22	-89.53
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C([N+](=O)[O-])S1	REAL300000497765	0	30	-2.0	-108.47	312.71	6.45	-102.02
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497766	1	33	-2.0	-116.86	317.50	1.11	-115.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C(F)C(F)=C1F	REAL300000497767	0	27	-2.0	-104.24	278.63	3.44	-100.80
O=C([O-])C1=CC([N-]S(=O)(=O)CCOCC2CCC2)=C(F)C(F)=C1F	REAL300000497770	1	38	-2.0	-96.16	345.13	5.16	-91.00
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(C)C	REAL300000497771	1	37	-2.0	-100.34	327.64	4.35	-95.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C(F)C(F)=C1F	REAL300000497773	1	36	-2.0	-111.32	330.31	6.47	-104.85
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(=O)NC1=O	REAL300000497777	0	31	-2.0	-105.46	306.53	1.96	-103.50
CC(C)OC1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)CCOC1	REAL300000497778	0	42	-2.0	-102.63	354.42	4.17	-98.46
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)N(C)N=C1	REAL300000497779	0	34	-2.0	-101.52	326.32	4.37	-97.15
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C1CC1	REAL300000497780	1	38	-2.0	-101.32	341.56	5.64	-95.68
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C1CCCC1	REAL300000497781	1	41	-2.0	-98.20	351.81	5.60	-92.60
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C1CCCCC1	REAL300000497782	1	44	-2.0	-98.90	368.41	6.14	-92.76
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)O1	REAL300000497783	0	34	-2.0	-96.58	335.56	4.63	-91.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C(F)C(F)=C1F	REAL300000497784	0	31	-2.0	-98.61	317.87	4.76	-93.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C(F)C(F)=C1F	REAL300000497785	0	27	-2.0	-97.29	295.50	3.86	-93.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(F)=C1F	REAL300000497786	1	31	-2.0	-104.41	310.21	6.03	-98.38
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)OC=C1	REAL300000497787	0	31	-2.0	-108.39	310.25	4.70	-103.69
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=N1	REAL300000497788	0	30	-2.0	-113.23	305.22	4.23	-109.00
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(C)=N1	REAL300000497789	1	40	-2.0	-100.03	366.03	6.02	-94.01
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497790	0	29	-3.0	-167.56	302.81	3.95	-163.61
O=C([O-])C1=CC=NC(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497790	1	30	-2.0	-115.49	307.31	3.77	-111.72
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497791	1	32	-2.0	-101.52	310.92	5.40	-96.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C(F)C(F)=C1F	REAL300000497793	1	30	-2.0	-100.68	301.40	4.31	-96.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C(F)C(F)=C1F	REAL300000497794	1	32	-2.0	-109.15	311.86	5.23	-103.92
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497795	1	38	-2.0	-98.65	339.12	5.40	-93.25
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(C(C)(C)C)=N1	REAL300000497796	1	40	-2.0	-99.95	346.49	5.87	-94.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C(F)C(F)=C1F	REAL300000497797	1	38	-2.0	-99.56	345.53	5.63	-93.93
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C(F)C(F)=C1F	REAL300000497798	0	29	-2.0	-95.81	293.38	3.79	-92.02
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497800	0	31	-2.0	-114.42	309.13	2.91	-111.51
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497801	1	34	-2.0	-100.32	320.98	4.42	-95.90
NC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=N1	REAL300000497803	1	28	-2.0	-94.94	283.33	2.62	-92.32
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497808	0	28	-2.0	-91.99	297.37	1.05	-90.94
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)O1	REAL300000497809	1	41	-2.0	-104.67	350.19	5.49	-99.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NS2)=C(F)C(F)=C1F	REAL300000497810	0	24	-2.0	-94.44	264.86	2.96	-91.48
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C(C(N)=O)O1	REAL300000497812	1	32	-2.0	-100.15	317.63	0.88	-99.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C(F)C(F)=C1F	REAL300000497814	1	28	-2.0	-107.61	292.84	5.40	-102.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C(Cl)O1	REAL300000497815	0	27	-3.0	-155.44	306.69	4.81	-150.63
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C(Cl)O1	REAL300000497815	1	28	-2.0	-111.69	310.05	4.27	-107.42
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497817	1	35	-2.0	-103.06	339.54	5.47	-97.59
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1F	REAL300000497818	1	29	-2.0	-104.66	303.95	5.68	-98.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C(F)C(F)=C1F	REAL300000497819	1	35	-2.0	-99.58	328.02	4.96	-94.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C(F)C(F)=C1F	REAL300000497820	1	35	-2.0	-96.70	325.41	5.16	-91.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C(F)C(F)=C1F	REAL300000497821	1	38	-2.0	-96.93	347.33	5.88	-91.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C(F)C(F)=C1F	REAL300000497823	1	35	-2.0	-103.05	322.49	5.29	-97.76
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C1F	REAL300000497824	1	32	-2.0	-99.30	319.33	4.70	-94.60
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=C(F)C(F)=C3F)=C2O1	REAL300000497826	1	36	-2.0	-112.52	335.58	5.86	-106.66
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)S1	REAL300000497827	0	36	-2.0	-98.71	346.80	4.93	-93.78
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497829	0	32	-2.0	-104.56	314.58	5.90	-98.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C(F)C(F)=C1F	REAL300000497830	1	25	-2.0	-99.67	283.56	4.71	-94.96
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497831	0	33	-2.0	-116.19	319.85	4.86	-111.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C(F)C(F)=C1F	REAL300000497833	0	31	-2.0	-103.64	316.96	6.71	-96.93
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497834	1	35	-2.0	-95.69	330.06	4.99	-90.70
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1OC	REAL300000497836	1	36	-2.0	-106.18	333.90	5.18	-101.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C(F)C(F)=C1F	REAL300000497837	1	31	-2.0	-104.06	307.90	5.55	-98.51
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(C2CC2)=N1	REAL300000497838	1	35	-2.0	-102.71	333.42	5.20	-97.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C(F)C(F)=C1F	REAL300000497840	0	31	-2.0	-109.19	307.56	4.46	-104.73
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=C(F)C(F)=C3F)C=CC=C21	REAL300000497841	1	33	-2.0	-119.39	322.67	3.67	-115.72
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=C(F)C(F)=C3F)=C21	REAL300000497842	1	35	-2.0	-103.47	318.68	7.23	-96.24
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497844	0	28	-2.0	-99.37	295.42	1.14	-98.23
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)N=CN1	REAL300000497845	0	28	-2.0	-108.95	277.24	3.37	-105.58
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(C2CCC2)=N1	REAL300000497848	1	38	-2.0	-103.14	349.64	5.67	-97.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C(F)C(F)=C1F	REAL300000497849	1	25	-2.0	-99.14	283.93	4.80	-94.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C(F)C(F)=C1F	REAL300000497850	1	38	-2.0	-100.12	352.12	5.92	-94.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C(F)C(F)=C1F	REAL300000497851	0	32	-2.0	-106.30	316.24	6.38	-99.92
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497853	1	34	-2.0	-93.65	333.41	3.67	-89.98
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497854	1	35	-2.0	-99.30	322.80	4.84	-94.46
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497856	1	37	-2.0	-94.81	325.11	5.18	-89.63
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=N1	REAL300000497857	1	37	-2.0	-100.26	342.63	4.99	-95.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C(F)C(F)=C1F	REAL300000497858	1	35	-2.0	-100.25	326.71	4.36	-95.89
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497861	1	31	-2.0	-94.81	299.29	3.53	-91.28
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1Cl	REAL300000497866	1	29	-2.0	-102.09	310.74	6.12	-95.97
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=CS1	REAL300000497868	1	29	-2.0	-105.50	300.39	3.71	-101.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C(F)C(F)=C1F	REAL300000497869	1	35	-2.0	-105.17	332.83	7.44	-97.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C(F)C(F)=C1F	REAL300000497870	1	38	-2.0	-97.06	342.89	5.86	-91.20
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497871	1	37	-2.0	-96.51	338.08	5.16	-91.35
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=C(F)C(F)=C3F)C2=N1	REAL300000497872	1	33	-2.0	-111.62	321.73	3.63	-107.99
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)O1	REAL300000497873	0	31	-2.0	-101.04	304.21	4.86	-96.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C(F)C(F)=C1F	REAL300000497874	0	28	-2.0	-94.38	301.98	4.48	-89.90
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497875	1	32	-2.0	-98.09	319.08	5.18	-92.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)S1	REAL300000497878	0	29	-2.0	-98.67	301.91	3.72	-94.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C(F)C(F)=C1F	REAL300000497879	1	31	-2.0	-97.18	310.79	3.98	-93.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C(F)C(F)=C1F	REAL300000497882	1	31	-2.0	-106.29	305.13	5.62	-100.67
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=N1	REAL300000497884	0	30	-2.0	-99.17	298.83	2.13	-97.04
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1Cl	REAL300000497885	0	31	-2.0	-97.29	319.79	4.19	-93.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C(F)C(F)=C1F	REAL300000497886	0	25	-2.0	-95.39	277.87	3.87	-91.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C(F)C(F)=C1F	REAL300000497890	0	32	-2.0	-101.74	321.95	6.58	-95.16
CC1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497891	0	28	-2.0	-100.41	282.71	3.93	-96.48
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=NN1	REAL300000497892	0	34	-2.0	-99.62	338.49	3.07	-96.55
COC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1OC	REAL300000497893	0	33	-2.0	-102.70	331.07	3.28	-99.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C(F)C(F)=C1F	REAL300000497894	1	27	-2.0	-88.24	295.75	3.90	-84.34
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497895	1	34	-2.0	-99.74	321.53	5.27	-94.47
CN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1Cl	REAL300000497897	0	28	-2.0	-97.04	297.98	3.32	-93.72
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)OC=C1	REAL300000497899	0	26	-2.0	-101.05	282.28	3.71	-97.34
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(C2CC2)=N1	REAL300000497901	1	38	-2.0	-103.25	356.80	6.01	-97.24
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(=O)NC(=O)N1	REAL300000497902	0	31	-2.0	-104.77	301.19	0.98	-103.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C(F)C(F)=C1F	REAL300000497903	0	25	-2.0	-98.39	276.87	3.77	-94.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C(F)C(F)=C1F	REAL300000497904	0	25	-2.0	-95.77	286.93	4.79	-90.98
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497905	1	36	-2.0	-96.86	330.40	3.01	-93.85
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497909	1	34	-2.0	-105.94	325.54	3.07	-102.87
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497910	1	31	-2.0	-99.90	320.84	2.93	-96.97
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=N1	REAL300000497912	1	37	-2.0	-99.14	341.08	5.42	-93.72
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497913	1	37	-2.0	-100.66	343.54	4.92	-95.74
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=CO1	REAL300000497914	0	26	-2.0	-101.75	281.08	3.67	-98.08
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)SC=C1	REAL300000497915	0	26	-2.0	-102.95	290.18	4.60	-98.35
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497916	1	34	-2.0	-95.80	319.85	4.53	-91.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C(F)C(F)=C1F	REAL300000497917	1	35	-2.0	-95.77	330.33	5.40	-90.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C(F)C(F)=C1F	REAL300000497918	1	35	-2.0	-101.46	331.84	6.42	-95.04
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497919	0	31	-2.0	-97.18	309.20	1.60	-95.58
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=NN1C(C)C	REAL300000497920	1	37	-2.0	-100.68	341.21	5.07	-95.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C(F)C(F)=C1F	REAL300000497921	1	30	-2.0	-101.70	307.36	4.37	-97.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C(F)C(F)=C1F	REAL300000497924	1	31	-2.0	-104.86	315.79	6.20	-98.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=C(F)C(F)=C1F	REAL300000497925	1	24	-2.0	-92.68	263.78	2.87	-89.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C(F)C(F)=C1F	REAL300000497926	0	32	-2.0	-112.65	326.18	4.53	-108.12
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300000497927	1	33	-2.0	-109.35	318.92	4.85	-104.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C2=NC=CC=C12	REAL300000497928	1	36	-2.0	-118.51	335.86	6.44	-112.07
CCC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C(C(=O)[O-])O1	REAL300000497929	0	34	-2.0	-112.04	337.21	5.61	-106.43
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=C(C(=O)[O-])O1	REAL300000497929	1	33	-3.0	-161.32	328.71	5.81	-155.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=C(F)C(F)=C1F	REAL300000497931	0	24	-2.0	-96.86	264.71	2.38	-94.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C(F)C(F)=C1F	REAL300000497932	1	35	-2.0	-101.74	323.85	4.60	-97.14
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(F)C(F)=C2F)=C1	REAL300000497933	1	31	-2.0	-106.66	305.02	6.00	-100.66
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000497934	0	38	-2.0	-108.68	367.04	2.52	-106.16
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000497935	0	40	-2.0	-114.74	376.02	4.28	-110.46
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000497936	0	40	-2.0	-110.53	375.99	4.28	-106.25
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000497937	0	40	-2.0	-126.05	373.33	4.18	-121.87
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)NN=C1C	REAL300000497938	0	42	-2.0	-113.34	371.36	1.72	-111.62
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)ON=C1C	REAL300000497939	0	41	-2.0	-108.32	370.10	2.81	-105.51
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1	REAL300000497940	0	42	-2.0	-119.62	376.58	4.56	-115.06
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000497942	0	39	-2.0	-114.95	371.90	4.41	-110.54
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C	REAL300000497943	0	45	-2.0	-119.29	392.07	5.33	-113.96
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C)=C1	REAL300000497944	0	45	-2.0	-120.56	393.59	5.10	-115.46
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C	REAL300000497945	0	45	-2.0	-118.69	392.08	5.33	-113.36
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC	REAL300000497946	0	43	-2.0	-125.36	383.43	3.68	-121.68
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000497947	0	39	-2.0	-119.61	368.31	4.45	-115.16
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000497948	0	36	-2.0	-116.48	347.10	2.89	-113.59
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C=C1	REAL300000497949	0	43	-2.0	-116.44	384.66	3.19	-113.25
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1	REAL300000497950	0	42	-2.0	-118.95	376.58	4.57	-114.38
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000497951	0	39	-2.0	-115.13	361.58	3.96	-111.17
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000497952	0	39	-2.0	-111.91	371.90	4.41	-107.50
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000497953	0	39	-2.0	-118.77	355.17	3.89	-114.88
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)S1	REAL300000497955	0	39	-2.0	-117.70	369.00	3.69	-114.01
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CCC(=O)OC	REAL300000497956	1	41	-2.0	-113.62	373.86	2.44	-111.18
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300000497957	0	45	-2.0	-116.92	391.87	2.92	-114.00
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)NC)C=C1	REAL300000497958	0	45	-2.0	-118.36	398.08	5.33	-113.03
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000497959	0	39	-2.0	-111.18	361.57	3.96	-107.22
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000497960	0	39	-2.0	-122.96	360.67	3.95	-119.01
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C	REAL300000497961	0	42	-2.0	-110.95	377.06	4.73	-106.22
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000497962	0	39	-2.0	-115.18	359.72	1.60	-113.58
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300000497964	0	42	-2.0	-115.62	381.89	4.60	-111.02
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000497965	0	42	-2.0	-123.22	382.09	4.62	-118.60
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C	REAL300000497966	0	42	-2.0	-114.65	377.06	4.73	-109.92
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1O	REAL300000497967	0	43	-2.0	-120.25	386.36	2.25	-118.00
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000497968	0	36	-2.0	-112.29	336.76	0.29	-112.00
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000497969	0	38	-2.0	-108.99	356.58	2.18	-106.81
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000497970	0	39	-2.0	-125.89	359.19	2.99	-122.90
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000497971	0	39	-2.0	-107.03	371.12	2.42	-104.61
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C)=N1	REAL300000497972	0	42	-2.0	-128.89	378.87	2.78	-126.11
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)NC)C=N1	REAL300000497973	0	42	-2.0	-115.38	381.25	2.46	-112.92
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1C	REAL300000497974	0	39	-2.0	-113.27	357.43	0.88	-112.39
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC)=C1	REAL300000497975	0	43	-2.0	-120.60	384.67	3.19	-117.41
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C	REAL300000497976	0	42	-2.0	-118.49	370.66	4.65	-113.84
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000497978	0	39	-2.0	-124.65	360.19	1.42	-123.23
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000497979	0	39	-2.0	-109.96	355.41	1.53	-108.43
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CCOC	REAL300000497980	0	39	-2.0	-111.47	352.07	0.68	-110.79
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000497981	0	43	-2.0	-120.30	374.53	2.08	-118.22
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC1CCCCO1	REAL300000497982	0	46	-2.0	-118.83	392.02	3.15	-115.68
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1F	REAL300000497985	0	42	-2.0	-122.69	382.08	4.63	-118.06
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C)=C1	REAL300000497986	0	42	-2.0	-111.90	381.89	4.59	-107.31
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000497987	0	36	-2.0	-123.86	336.48	1.29	-122.57
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CS1	REAL300000497989	0	39	-2.0	-117.77	363.40	3.71	-114.06
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000497993	0	45	-2.0	-115.58	399.93	2.98	-112.60
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000497995	0	45	-2.0	-126.23	399.14	2.33	-123.90
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CCOC(C)C	REAL300000497998	0	45	-2.0	-112.17	394.19	2.39	-109.78
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000497999	0	42	-2.0	-114.65	375.97	4.69	-109.96
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)N=C(C)S1	REAL300000498000	0	41	-2.0	-115.01	380.41	2.46	-112.55
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)NC)=C1	REAL300000498001	0	45	-2.0	-119.78	398.06	5.32	-114.46
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300000498002	0	42	-2.0	-115.31	383.00	4.63	-110.68
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C)S1	REAL300000498005	0	38	-2.0	-114.16	363.70	1.72	-112.44
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CCOCCOC	REAL300000498006	0	46	-2.0	-114.49	407.55	0.91	-113.58
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000498008	0	45	-2.0	-125.26	400.62	4.28	-120.98
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)NC)=C1	REAL300000498010	0	45	-2.0	-125.08	402.50	4.65	-120.43
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1F	REAL300000498011	0	42	-2.0	-124.09	380.99	4.60	-119.49
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C)=C1	REAL300000498013	0	42	-2.0	-115.84	378.13	3.47	-112.37
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)O1	REAL300000498014	0	39	-2.0	-117.47	359.77	2.72	-114.75
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)S1	REAL300000498015	0	42	-2.0	-118.78	388.82	4.31	-114.47
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000498016	0	38	-2.0	-109.24	366.92	2.59	-106.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)NC)N=C1C	REAL300000498017	0	45	-2.0	-127.55	400.79	3.68	-123.87
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)NC)S1	REAL300000498018	0	41	-2.0	-113.78	385.19	2.47	-111.31
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000498021	0	36	-2.0	-116.18	337.86	1.89	-114.29
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000498022	0	38	-2.0	-105.62	349.58	0.31	-105.31
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000498023	0	43	-2.0	-121.42	383.30	3.33	-118.09
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCC(=O)NC	REAL300000498024	0	45	-2.0	-116.34	385.38	5.62	-110.72
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1F	REAL300000498026	0	42	-2.0	-122.93	374.77	4.86	-118.07
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(OC)=C1	REAL300000498028	0	42	-2.0	-114.84	379.75	1.37	-113.47
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300000498030	0	40	-2.0	-108.23	362.71	1.26	-106.97
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000498032	0	37	-2.0	-108.54	367.68	3.45	-105.09
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1	REAL300000498033	0	41	-2.0	-115.47	371.78	2.73	-112.74
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(C)OC	REAL300000498034	0	42	-2.0	-116.89	370.72	1.85	-115.04
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=NN1C	REAL300000498036	0	42	-2.0	-110.88	372.06	2.36	-108.52
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000498037	0	37	-2.0	-109.26	359.09	2.44	-106.82
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000498038	0	36	-2.0	-114.42	346.27	2.80	-111.62
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000498039	0	36	-2.0	-114.74	337.71	1.78	-112.96
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)N=C1	REAL300000498040	0	42	-2.0	-111.50	382.35	0.58	-110.92
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CS1	REAL300000498041	0	39	-2.0	-116.63	368.74	3.55	-113.08
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000498042	0	36	-2.0	-113.46	353.46	0.70	-112.76
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=NS1	REAL300000498043	0	38	-2.0	-110.54	363.67	2.19	-108.35
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC(=O)S1	REAL300000498044	1	36	-2.0	-110.31	352.01	-0.23	-110.54
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000498045	0	36	-2.0	-118.43	353.46	2.94	-115.49
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1(COC)CC1	REAL300000498046	0	43	-2.0	-118.87	373.04	2.83	-116.04
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)N=S(C)(C)=O	REAL300000498047	0	39	-2.0	-141.67	360.53	-0.19	-141.86
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000498048	0	36	-2.0	-119.88	336.80	0.48	-119.40
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)S1	REAL300000498049	0	42	-2.0	-119.04	385.29	4.52	-114.52
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1	REAL300000498052	0	42	-2.0	-115.69	375.84	2.12	-113.57
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)NC)C=C1	REAL300000498053	0	43	-2.0	-118.91	386.26	4.98	-113.93
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C	REAL300000498054	0	42	-2.0	-116.12	378.56	2.24	-113.88
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000498055	0	39	-2.0	-108.28	371.01	2.50	-105.78
CCC(CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCC(=O)NC)OC	REAL300000498057	0	45	-2.0	-115.95	390.30	2.41	-113.54
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CCOCC1CC1	REAL300000498058	0	46	-2.0	-112.01	405.59	3.23	-108.78
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(OC)C1CC1	REAL300000498059	0	46	-2.0	-118.69	396.42	3.66	-115.03
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CON=C1C	REAL300000498060	0	38	-2.0	-108.04	352.13	1.85	-106.19
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000498061	0	38	-2.0	-120.42	355.68	2.08	-118.34
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000498064	0	38	-2.0	-107.86	356.59	2.04	-105.82
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000498065	0	37	-2.0	-121.11	365.62	3.29	-117.82
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC(OC)C(C)C	REAL300000498067	0	48	-2.0	-116.61	404.33	2.82	-113.79
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C)N1C	REAL300000498069	0	42	-2.0	-115.28	374.33	2.95	-112.33
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000498071	0	40	-2.0	-115.10	371.36	1.65	-113.45
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000498071	1	39	-3.0	-203.74	367.80	2.51	-201.23
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCC(=O)NC	REAL300000498072	0	45	-2.0	-115.60	398.03	3.05	-112.55
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000498073	0	39	-2.0	-110.43	360.39	1.24	-109.19
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000498074	0	35	-2.0	-110.13	341.92	1.59	-108.54
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=N1	REAL300000498076	0	38	-2.0	-119.30	353.97	0.21	-119.09
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)SC=C1C	REAL300000498077	0	42	-2.0	-114.83	379.91	4.56	-110.27
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1OCC(=O)NC	REAL300000498078	0	41	-2.0	-105.32	370.40	1.22	-104.10
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(N)C(C)=C1	REAL300000498080	0	43	-2.0	-117.65	383.20	1.60	-116.05
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)NC=N1	REAL300000498081	0	39	-2.0	-125.16	354.28	2.00	-123.16
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C	REAL300000498084	0	45	-2.0	-118.50	385.30	5.57	-112.93
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000498085	0	42	-2.0	-117.61	383.17	4.71	-112.90
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=NN1C	REAL300000498086	0	42	-2.0	-110.93	377.37	2.12	-108.81
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C	REAL300000498087	0	45	-2.0	-119.31	387.67	5.19	-114.12
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)NC)O1	REAL300000498089	0	42	-2.0	-117.44	381.26	3.50	-113.94
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000498090	0	42	-2.0	-120.09	375.74	4.86	-115.23
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2OCC(=O)NC)=N1	REAL300000498091	0	41	-2.0	-115.17	375.88	0.76	-114.41
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000498092	0	36	-2.0	-111.21	354.92	2.51	-108.70
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CO1	REAL300000498093	0	39	-2.0	-116.64	359.76	2.57	-114.07
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000498094	0	37	-2.0	-116.70	359.33	2.35	-114.35
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000498095	0	36	-2.0	-114.07	353.95	2.39	-111.68
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000498097	0	37	-2.0	-117.43	358.16	2.30	-115.13
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000498098	0	37	-2.0	-118.20	367.23	3.23	-114.97
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000498099	0	45	-2.0	-111.66	396.89	3.16	-108.50
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)CC1=CC(OC)=NO1	REAL300000498100	0	42	-2.0	-112.40	386.24	0.21	-112.19
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000498102	0	40	-2.0	-118.87	366.19	1.04	-117.83
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000498103	0	35	-2.0	-108.27	340.82	1.50	-106.77
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000498104	0	35	-2.0	-112.77	341.76	1.01	-111.76
CNC(=O)COC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000498105	0	42	-2.0	-123.22	382.09	4.62	-118.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=CC=C1F	REAL300000498106	0	36	-2.0	-125.96	343.78	2.49	-123.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1	REAL300000498107	0	36	-2.0	-115.74	339.23	2.47	-113.27
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1	REAL300000498108	0	36	-2.0	-129.00	339.24	2.46	-126.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)NC1CC1	REAL300000498109	0	40	-2.0	-133.11	367.38	2.28	-130.83
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1	REAL300000498110	0	40	-2.0	-114.24	370.71	3.76	-110.48
CC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000498111	0	39	-2.0	-131.81	359.31	3.11	-128.70
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1	REAL300000498112	0	36	-2.0	-122.91	352.31	3.03	-119.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=CC=C1Cl	REAL300000498113	0	36	-2.0	-124.48	351.75	2.86	-121.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1C	REAL300000498114	0	42	-2.0	-130.27	371.91	3.82	-126.45
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1	REAL300000498115	0	36	-2.0	-125.29	344.72	2.53	-122.76
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1	REAL300000498116	0	42	-2.0	-114.05	382.82	4.05	-110.00
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1	REAL300000498117	0	33	-2.0	-123.04	332.43	1.49	-121.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)NC1CC1	REAL300000498118	0	39	-2.0	-127.95	354.68	3.25	-124.70
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1	REAL300000498119	0	40	-2.0	-113.05	370.32	2.75	-110.30
CN1C=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000498120	0	37	-2.0	-127.41	345.90	1.81	-125.60
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)NC1CC1	REAL300000498121	0	40	-2.0	-128.46	363.45	1.28	-127.18
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1	REAL300000498122	0	36	-2.0	-119.09	348.36	2.15	-116.94
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000498123	0	42	-2.0	-129.35	370.69	3.78	-125.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=CS1	REAL300000498124	0	33	-2.0	-124.36	330.91	1.49	-122.87
COC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000498125	0	40	-2.0	-134.82	366.54	2.53	-132.29
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)NC1CC1	REAL300000498126	0	45	-2.0	-129.79	393.14	4.47	-125.32
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)NC1CC1	REAL300000498127	0	42	-2.0	-124.35	367.30	4.18	-120.17
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)NC1CC1	REAL300000498128	0	43	-2.0	-132.27	389.66	3.05	-129.22
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1	REAL300000498129	0	38	-3.0	-208.01	367.65	3.03	-204.98
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1	REAL300000498130	0	43	-2.0	-132.71	383.49	4.35	-128.36
CC1=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C(C(=O)[O-])O1	REAL300000498131	0	36	-2.0	-121.20	342.25	1.61	-119.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1	REAL300000498132	0	40	-2.0	-130.06	368.23	1.56	-128.50
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=CC=C1OCC(=O)[O-]	REAL300000498133	0	43	-2.0	-113.63	390.40	3.45	-110.18
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)NC1CC1	REAL300000498134	0	39	-2.0	-118.59	359.95	3.28	-115.31
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1F	REAL300000498135	0	40	-2.0	-112.28	376.54	2.81	-109.47
CCOC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000498136	0	43	-2.0	-135.55	388.38	3.44	-132.11
CC1=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C(C(=O)[O-])S1	REAL300000498137	0	36	-2.0	-124.28	347.87	2.35	-121.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C(Cl)=C1	REAL300000498138	0	36	-2.0	-112.89	352.30	3.01	-109.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1F	REAL300000498139	0	36	-2.0	-115.01	343.78	2.50	-112.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)S1	REAL300000498140	0	33	-2.0	-117.66	331.50	1.59	-116.07
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1	REAL300000498141	0	36	-2.0	-119.63	345.65	2.53	-117.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1F	REAL300000498142	0	39	-2.0	-127.01	364.99	3.16	-123.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C(F)=C1	REAL300000498143	0	36	-2.0	-115.52	344.71	2.54	-112.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1Cl	REAL300000498144	0	36	-2.0	-113.18	351.75	2.87	-110.31
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)NC1CC1	REAL300000498145	0	39	-2.0	-120.25	368.69	3.67	-116.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=CC(F)=C1F	REAL300000498146	0	36	-2.0	-117.31	350.06	2.56	-114.75
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1	REAL300000498147	0	38	-2.0	-113.52	367.43	3.13	-110.39
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1	REAL300000498148	0	37	-2.0	-125.88	348.96	0.19	-125.69
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1	REAL300000498149	0	39	-2.0	-121.78	361.42	3.25	-118.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)NC1CC1	REAL300000498150	0	39	-2.0	-126.17	349.31	3.10	-123.07
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=CC(C(=O)[O-])=C1F	REAL300000498151	0	39	-2.0	-127.57	364.08	3.11	-124.46
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)NC1CC1	REAL300000498152	0	39	-2.0	-115.29	354.66	3.24	-112.05
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=CC(C(=O)[O-])=C1C	REAL300000498153	0	42	-2.0	-134.11	376.04	3.63	-130.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=CC=C1[N+](=O)[O-]	REAL300000498154	0	38	-2.0	-126.41	365.80	3.55	-122.86
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1	REAL300000498155	0	36	-2.0	-117.15	350.98	2.59	-114.56
CC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C(C)=C1C(=O)[O-]	REAL300000498156	0	42	-2.0	-130.68	373.73	3.85	-126.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000498157	0	39	-2.0	-127.79	364.56	3.16	-124.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1Cl	REAL300000498158	0	39	-2.0	-124.98	371.03	3.59	-121.39
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1	REAL300000498159	0	39	-2.0	-135.66	364.28	3.16	-132.50
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000498160	0	42	-2.0	-130.99	373.48	3.65	-127.34
COC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1CC(=O)[O-]	REAL300000498161	0	43	-2.0	-129.27	389.71	2.60	-126.67
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)NC1CC1	REAL300000498162	0	39	-2.0	-118.89	366.03	3.61	-115.28
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=CC(C(=O)[O-])=C1Cl	REAL300000498163	0	39	-2.0	-126.51	370.47	3.42	-123.09
CCN1C=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000498164	0	40	-2.0	-128.76	367.27	2.69	-126.07
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000498165	0	39	-2.0	-122.39	369.11	3.43	-118.96
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=CC=C1C(=O)[O-]	REAL300000498166	0	39	-2.0	-116.09	355.25	3.01	-113.08
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)NC1CC1	REAL300000498167	0	39	-2.0	-124.94	359.20	3.29	-121.65
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=CC=C1	REAL300000498168	0	38	-2.0	-136.93	362.97	4.33	-132.60
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=CC=C1	REAL300000498169	0	36	-2.0	-134.64	342.88	2.49	-132.15
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000498170	0	39	-2.0	-120.62	360.41	3.04	-117.58
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C1	REAL300000498171	0	35	-2.0	-127.08	335.46	0.59	-126.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC=C1C(=O)NC1CC1	REAL300000498172	0	40	-2.0	-120.00	367.44	2.27	-117.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)=C(Cl)O1	REAL300000498173	0	33	-2.0	-115.57	339.35	1.43	-114.14
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NNC=C3C(=O)NC3CC3)C=C2)CC1	REAL300000498174	0	43	-2.0	-121.63	385.37	4.35	-117.28
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NNC=C3C(=O)NC3CC3)C=C2C1	REAL300000498175	0	43	-2.0	-128.39	384.68	4.35	-124.04
CCC1=C(S(=O)(=O)[N-]C2=NNC=C2C(=O)NC2CC2)C=C(C(=O)[O-])O1	REAL300000498176	0	39	-2.0	-119.97	361.37	2.46	-117.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=C3F)=C2)C=C1	REAL300000498177	1	39	-2.0	-96.34	362.29	8.00	-88.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=C3F)=C2)=C1	REAL300000498178	1	39	-2.0	-109.37	362.31	8.00	-101.37
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=C3F)=C2)=C1	REAL300000498179	0	36	-2.0	-103.42	355.49	7.01	-96.41
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=C3F)=C2)C=C1C(=O)[O-]	REAL300000498180	0	40	-2.0	-112.62	368.91	7.35	-105.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=C3F)=C2)=CS1	REAL300000498181	0	36	-2.0	-105.03	353.96	7.03	-98.00
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=C3F)=C2)C=C(C(=O)[O-])O1	REAL300000498182	0	39	-2.0	-102.65	365.32	7.13	-95.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=C3F)=C2)S1	REAL300000498183	0	36	-2.0	-102.70	354.54	7.11	-95.59
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OC3=CC=CC=C3F)=C2)=C1	REAL300000498184	0	38	-2.0	-110.04	359.25	6.04	-104.00
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000498185	0	43	-2.0	-90.22	381.02	4.08	-86.14
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000498186	1	36	-2.0	-106.38	328.09	5.51	-100.87
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N(C)C)=C1	REAL300000498187	0	44	-2.0	-108.21	383.18	6.56	-101.65
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000498188	1	36	-2.0	-96.07	323.15	5.47	-90.60
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000498189	1	36	-2.0	-109.24	324.57	5.50	-103.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N(C)C)=C1	REAL300000498190	0	40	-2.0	-115.11	351.30	5.25	-109.86
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000498191	1	40	-2.0	-96.20	355.02	6.77	-89.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C=C1C(=O)[O-]	REAL300000498192	1	39	-2.0	-110.33	339.57	6.01	-104.32
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000498193	0	36	-2.0	-105.19	336.63	6.05	-99.14
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000498194	1	36	-2.0	-104.98	337.07	5.89	-99.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)=C1C	REAL300000498195	1	42	-2.0	-112.44	355.84	6.81	-105.63
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000498196	0	36	-2.0	-106.67	328.64	5.52	-101.15
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000498197	1	42	-2.0	-95.31	366.74	7.06	-88.25
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000498198	0	33	-2.0	-103.18	316.74	4.49	-98.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N(C)C)=C1	REAL300000498199	1	39	-2.0	-110.94	340.00	6.29	-104.65
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000498200	1	40	-2.0	-95.14	355.63	5.78	-89.36
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000498201	0	37	-2.0	-107.43	330.21	4.83	-102.60
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N(C)C)=C1	REAL300000498202	1	40	-2.0	-110.93	347.77	4.30	-106.63
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)=C1	REAL300000498203	0	36	-2.0	-99.30	332.66	5.16	-94.14
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C=C1C(=O)[O-]	REAL300000498204	1	42	-2.0	-111.43	354.43	6.77	-104.66
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000498205	0	33	-2.0	-104.76	316.21	4.54	-100.22
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000498206	1	44	-2.0	-109.34	381.89	5.29	-104.05
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C=C1C(=O)[O-]	REAL300000498207	1	40	-2.0	-114.94	350.84	5.55	-109.39
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000498208	1	46	-2.0	-114.93	379.80	8.12	-106.81
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N(C)C)=C1	REAL300000498209	1	45	-2.0	-113.05	377.46	7.49	-105.56
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N(C)C)=C1	REAL300000498210	1	42	-2.0	-109.10	353.70	7.20	-101.90
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N(C)C)=C1	REAL300000498211	0	43	-2.0	-115.79	374.99	6.06	-109.73
CN(C)C1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000498212	0	39	-2.0	-108.00	357.93	5.88	-102.12
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000498212	1	38	-3.0	-183.98	352.97	6.05	-177.93
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000498213	1	43	-2.0	-114.76	367.41	7.35	-107.41
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000498214	0	36	-2.0	-103.24	327.57	4.63	-98.61
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000498215	1	42	-2.0	-113.89	366.74	5.27	-108.62
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)=C1	REAL300000498216	0	40	-2.0	-110.05	352.55	4.57	-105.48
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000498217	1	44	-2.0	-96.17	376.80	6.06	-90.11
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000498218	0	36	-2.0	-101.71	341.16	6.07	-95.64
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)=CC=C1OCC(=O)[O-]	REAL300000498219	1	43	-2.0	-95.62	375.72	6.49	-89.13
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N(C)C)=C1	REAL300000498220	1	39	-2.0	-100.88	344.27	6.30	-94.58
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000498221	1	40	-2.0	-94.33	361.86	5.84	-88.49
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C=C1C(=O)[O-]	REAL300000498222	1	43	-2.0	-115.71	373.70	6.47	-109.24
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000498223	0	36	-2.0	-106.76	334.26	5.38	-101.38
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000498224	0	36	-2.0	-94.00	336.61	6.04	-87.96
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000498225	1	36	-2.0	-95.46	327.69	5.50	-89.96
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000498226	0	33	-2.0	-98.12	315.83	4.61	-93.51
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000498227	0	36	-2.0	-99.90	330.97	5.56	-94.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)=C1F	REAL300000498228	0	39	-2.0	-108.24	349.31	6.17	-102.07
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000498229	0	36	-2.0	-95.89	330.03	5.57	-90.32
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000498230	1	36	-2.0	-93.97	336.05	5.88	-88.09
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N(C)C)=C1	REAL300000498231	1	39	-2.0	-102.31	352.61	6.68	-95.63
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000498232	1	44	-2.0	-92.64	386.91	6.88	-85.76
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000498233	1	36	-2.0	-97.85	334.40	5.57	-92.28
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000498234	0	38	-2.0	-93.90	351.76	6.15	-87.75
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000498235	0	37	-2.0	-109.64	333.28	3.18	-106.46
CN(C)C1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000498235	1	37	-2.0	-105.63	323.29	4.09	-101.54
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000498236	1	39	-2.0	-100.43	345.73	6.26	-94.17
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000498237	1	36	-2.0	-99.36	344.29	6.01	-93.35
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(N(C)C)=C1	REAL300000498238	1	39	-2.0	-105.20	334.60	6.14	-99.06
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000498239	1	39	-2.0	-108.13	349.40	6.15	-101.98
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(N(C)C)=C1	REAL300000498240	1	39	-2.0	-96.57	338.58	6.23	-90.34
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)=CC(C(=O)[O-])=C1C	REAL300000498241	1	42	-2.0	-113.63	362.07	6.70	-106.93
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000498242	0	38	-2.0	-107.05	349.71	6.55	-100.50
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000498243	0	36	-2.0	-98.49	336.32	5.62	-92.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C(C)=C1C(=O)[O-]	REAL300000498244	1	42	-2.0	-109.09	358.04	6.88	-102.21
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C=C1C(=O)[O-]	REAL300000498245	0	39	-2.0	-109.14	348.88	6.18	-102.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)=C1Cl	REAL300000498246	0	39	-2.0	-106.96	355.34	6.62	-100.34
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)=C1	REAL300000498247	0	39	-2.0	-113.50	348.59	6.17	-107.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C=C1C(=O)[O-]	REAL300000498248	1	42	-2.0	-110.66	357.44	6.65	-104.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C=C1CC(=O)[O-]	REAL300000498249	1	43	-2.0	-111.28	375.03	5.63	-105.65
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N(C)C)=C1	REAL300000498250	1	39	-2.0	-97.87	349.12	6.63	-91.24
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000498251	1	39	-2.0	-106.33	354.38	6.42	-99.91
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C=C1C(=O)[O-]	REAL300000498252	0	40	-2.0	-108.55	351.18	5.68	-102.87
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C(C)=C1CC(=O)[O-]	REAL300000498253	1	48	-2.0	-109.14	388.72	8.35	-100.79
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C=C1C(=O)[O-]	REAL300000498254	1	39	-2.0	-103.77	358.30	6.56	-97.21
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000498255	1	39	-2.0	-96.67	340.56	6.04	-90.63
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000498256	0	41	-2.0	-101.29	366.31	7.64	-93.65
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(N(C)C)=C1	REAL300000498257	1	39	-2.0	-107.48	343.11	6.29	-101.19
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000498258	0	38	-2.0	-116.02	347.31	7.33	-108.69
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000498259	0	36	-2.0	-112.73	326.83	5.49	-107.24
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C=C1C(=O)[O-]	REAL300000498260	1	39	-2.0	-101.63	348.50	6.16	-95.47
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000498261	1	42	-2.0	-117.34	364.18	7.57	-109.77
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000498262	0	35	-2.0	-106.37	319.38	3.59	-102.78
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(N(C)C)=C1	REAL300000498263	0	40	-2.0	-100.96	352.77	5.29	-95.67
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000498264	0	33	-2.0	-96.59	323.30	4.44	-92.15
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000498265	1	43	-2.0	-103.39	369.70	7.37	-96.02
CN(C)C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000498266	1	43	-2.0	-106.12	368.62	7.33	-98.79
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000498267	0	39	-2.0	-103.08	345.69	5.46	-97.62
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000498268	0	41	-2.0	-104.16	375.85	5.96	-98.20
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000498269	0	41	-2.0	-94.39	371.31	5.94	-88.45
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000498270	0	41	-2.0	-106.55	371.32	5.93	-100.62
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000498271	0	44	-2.0	-107.57	387.34	6.46	-101.11
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000498272	0	41	-2.0	-103.31	376.79	5.99	-97.32
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000498273	0	38	-2.0	-100.98	364.51	4.95	-96.03
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000498274	0	44	-2.0	-106.83	386.76	6.71	-100.12
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000498275	0	42	-2.0	-104.99	377.97	5.28	-99.71
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000498276	0	41	-2.0	-97.18	380.44	5.62	-91.56
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000498277	0	38	-2.0	-102.43	362.98	4.97	-97.46
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000498278	0	41	-2.0	-100.28	374.33	5.07	-95.21
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000498279	0	41	-2.0	-103.31	381.02	5.81	-97.50
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000498280	0	41	-2.0	-94.02	375.86	5.97	-88.05
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000498281	0	38	-2.0	-96.04	363.59	5.06	-90.98
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000498282	0	41	-2.0	-97.55	377.74	5.99	-91.56
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000498283	0	41	-2.0	-93.87	376.78	6.01	-87.86
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000498284	0	42	-2.0	-105.44	381.04	3.63	-101.81
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000498285	0	44	-2.0	-97.31	393.50	6.71	-90.60
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000498286	0	44	-2.0	-103.25	381.36	6.56	-96.69
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000498287	0	44	-2.0	-94.51	386.74	6.70	-87.81
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000498288	0	45	-2.0	-106.21	399.35	6.15	-100.06
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000498289	0	44	-2.0	-96.05	391.39	6.57	-89.48
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000498290	0	41	-2.0	-111.16	374.98	5.96	-105.20
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000498291	0	40	-2.0	-104.26	367.54	4.07	-100.19
CCOC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000498292	0	44	-2.0	-99.92	393.44	5.92	-94.00
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000498293	1	34	-2.0	-112.98	334.40	5.67	-107.31
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1Cl	REAL300000498294	0	42	-2.0	-114.01	389.47	6.76	-107.25
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000498295	1	34	-2.0	-102.90	329.85	5.65	-97.25
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000498296	1	34	-2.0	-115.73	329.86	5.64	-110.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1Cl	REAL300000498297	0	38	-2.0	-121.34	358.00	5.45	-115.89
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000498298	1	38	-2.0	-102.42	361.33	6.94	-95.48
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C=C1C(=O)[O-]	REAL300000498299	1	37	-2.0	-116.93	345.89	6.17	-110.76
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000498300	0	34	-2.0	-111.29	342.94	6.20	-105.09
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000498301	1	34	-2.0	-111.42	342.37	6.03	-105.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)=C1C	REAL300000498302	1	40	-2.0	-118.82	362.54	6.99	-111.83
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000498303	0	34	-2.0	-113.07	335.33	5.69	-107.38
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000498304	1	40	-2.0	-101.72	373.41	7.22	-94.50
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000498305	0	31	-2.0	-109.85	323.06	4.66	-105.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1Cl	REAL300000498306	1	37	-2.0	-116.58	345.30	6.42	-110.16
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000498307	1	38	-2.0	-101.11	360.94	5.92	-95.19
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000498308	0	35	-2.0	-114.14	336.51	4.99	-109.15
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1Cl	REAL300000498309	1	38	-2.0	-117.01	354.07	4.45	-112.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)=C1	REAL300000498310	0	34	-2.0	-105.90	338.98	5.32	-100.58
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C=C1C(=O)[O-]	REAL300000498311	1	40	-2.0	-117.88	361.32	6.95	-110.93
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000498312	0	31	-2.0	-111.24	321.53	4.66	-106.58
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C=C1C(=O)[O-]	REAL300000498313	1	38	-2.0	-121.61	357.15	5.71	-115.90
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000498314	1	44	-2.0	-120.65	385.10	8.27	-112.38
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1Cl	REAL300000498315	1	43	-2.0	-118.83	383.76	7.64	-111.19
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1Cl	REAL300000498316	1	40	-2.0	-114.72	360.00	7.35	-107.37
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1Cl	REAL300000498317	0	41	-2.0	-121.10	380.28	6.22	-114.88
CC(C)N1C=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000498318	0	37	-2.0	-114.80	357.02	6.23	-108.57
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000498318	1	36	-3.0	-191.57	358.26	6.19	-185.38
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000498319	1	41	-2.0	-121.03	374.11	7.53	-113.50
CC1=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C=C(C(=O)[O-])O1	REAL300000498320	0	34	-2.0	-109.34	332.87	4.78	-104.56
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)=C1	REAL300000498321	0	38	-2.0	-116.63	358.87	4.73	-111.90
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000498322	1	42	-2.0	-102.57	383.50	6.26	-96.31
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000498323	0	34	-2.0	-107.82	347.46	6.21	-101.61
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)=CC=C1OCC(=O)[O-]	REAL300000498324	1	41	-2.0	-101.61	381.02	6.63	-94.98
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1Cl	REAL300000498325	1	37	-2.0	-107.05	350.59	6.46	-100.59
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000498326	1	38	-2.0	-100.46	367.16	5.99	-94.47
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C=C1C(=O)[O-]	REAL300000498327	1	41	-2.0	-122.29	379.00	6.62	-115.67
CC1=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C=C(C(=O)[O-])S1	REAL300000498328	0	34	-2.0	-112.90	338.49	5.53	-107.37
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000498329	0	34	-2.0	-100.39	342.92	6.19	-94.20
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000498330	1	34	-2.0	-102.30	334.40	5.68	-96.62
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000498331	0	31	-2.0	-104.62	322.12	4.77	-99.85
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000498332	0	34	-2.0	-106.42	336.27	5.71	-100.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)=C1F	REAL300000498333	0	37	-2.0	-114.56	355.63	6.34	-108.22
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000498334	0	34	-2.0	-102.36	335.33	5.71	-96.65
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000498335	1	34	-2.0	-100.41	342.37	6.04	-94.37
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1Cl	REAL300000498336	1	37	-2.0	-108.74	359.32	6.84	-101.90
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000498337	0	42	-2.0	-99.10	393.61	7.05	-92.05
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000498338	1	34	-2.0	-104.45	340.70	5.72	-98.73
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000498339	0	36	-2.0	-100.49	358.06	6.31	-94.18
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000498340	0	35	-2.0	-115.35	339.58	3.37	-111.98
CC(C)N1C=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000498340	1	35	-2.0	-114.46	337.90	4.17	-110.29
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000498341	1	37	-2.0	-106.63	352.02	6.41	-100.22
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000498342	1	34	-2.0	-105.93	350.58	6.17	-99.76
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1Cl	REAL300000498343	1	37	-2.0	-111.67	339.93	6.27	-105.40
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)=CC(C(=O)[O-])=C1F	REAL300000498344	1	37	-2.0	-114.47	354.70	6.29	-108.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1Cl	REAL300000498345	1	37	-2.0	-103.02	345.28	6.40	-96.62
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)=CC(C(=O)[O-])=C1C	REAL300000498346	1	40	-2.0	-120.22	366.69	6.81	-113.41
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000498347	0	36	-2.0	-113.45	356.43	6.73	-106.72
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000498348	0	34	-2.0	-104.56	341.62	5.77	-98.79
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C(C)=C1C(=O)[O-]	REAL300000498349	1	40	-2.0	-115.96	364.35	7.01	-108.95
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C=C1C(=O)[O-]	REAL300000498350	0	37	-2.0	-115.38	355.18	6.34	-109.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)=C1Cl	REAL300000498351	0	37	-2.0	-113.10	361.63	6.77	-106.33
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)=C1	REAL300000498352	0	37	-2.0	-120.42	354.90	6.33	-114.09
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C=C1C(=O)[O-]	REAL300000498353	1	40	-2.0	-117.70	364.10	6.83	-110.87
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C=C1CC(=O)[O-]	REAL300000498354	1	41	-2.0	-117.33	380.33	5.77	-111.56
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1Cl	REAL300000498355	1	37	-2.0	-105.01	356.13	6.82	-98.19
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)=CC(C(=O)[O-])=C1Cl	REAL300000498356	1	37	-2.0	-113.34	361.09	6.60	-106.74
CCN1C=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C=C1C(=O)[O-]	REAL300000498357	0	38	-2.0	-115.34	357.89	5.86	-109.48
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C(C)=C1CC(=O)[O-]	REAL300000498358	1	46	-2.0	-116.11	395.01	8.52	-107.59
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C=C1C(=O)[O-]	REAL300000498359	1	37	-2.0	-109.12	359.73	6.61	-102.51
CC1=CC(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000498360	1	37	-2.0	-103.08	345.87	6.18	-96.90
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1Cl	REAL300000498361	1	37	-2.0	-114.09	349.40	6.48	-107.61
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000498362	0	36	-2.0	-122.59	353.61	7.49	-115.10
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000498363	0	34	-2.0	-119.62	333.53	5.68	-113.94
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C=C1C(=O)[O-]	REAL300000498364	1	37	-2.0	-107.39	351.03	6.21	-101.18
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000498365	1	40	-2.0	-124.10	370.91	7.76	-116.34
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000498366	0	33	-2.0	-112.87	326.85	3.69	-109.18
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C(C)C)C=C1Cl	REAL300000498367	0	38	-2.0	-107.24	358.09	5.45	-101.79
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000498368	0	31	-2.0	-103.22	329.97	4.61	-98.61
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000498369	1	41	-2.0	-109.62	375.98	7.52	-102.10
CC(C)N1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000498370	1	41	-2.0	-113.47	375.29	7.52	-105.95
CCC1=C(S(=O)(=O)[N-]C2=NN(C(C)C)C=C2Cl)C=C(C(=O)[O-])O1	REAL300000498371	0	37	-2.0	-109.17	351.99	5.63	-103.54
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000498372	0	38	-2.0	-96.33	367.66	3.71	-92.62
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000498373	1	31	-2.0	-112.92	315.73	5.15	-107.77
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=N1	REAL300000498374	0	39	-2.0	-113.85	370.80	6.23	-107.62
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000498375	1	31	-2.0	-102.85	311.18	5.13	-97.72
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000498376	1	31	-2.0	-115.48	311.20	5.12	-110.36
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=N1	REAL300000498377	0	35	-2.0	-120.94	339.32	4.93	-116.01
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000498378	1	35	-2.0	-102.34	342.65	6.41	-95.93
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000498379	1	34	-2.0	-116.87	327.22	5.65	-111.22
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000498380	0	31	-2.0	-111.06	324.27	5.68	-105.38
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000498381	1	31	-2.0	-111.43	323.70	5.51	-105.92
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=N1	REAL300000498382	0	31	-2.0	-106.61	336.76	6.06	-100.55
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000498383	1	37	-2.0	-118.47	343.86	6.46	-112.01
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000498384	0	31	-2.0	-112.83	316.66	5.18	-107.65
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000498385	1	37	-2.0	-101.66	354.77	6.71	-94.95
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000498386	0	28	-2.0	-109.89	304.38	4.14	-105.75
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000498387	1	34	-2.0	-116.30	326.62	5.90	-110.40
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000498388	1	35	-2.0	-101.10	342.27	5.40	-95.70
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000498389	0	32	-2.0	-113.86	317.84	4.46	-109.40
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000498390	1	35	-2.0	-116.96	334.98	3.95	-113.01
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300000498391	0	31	-2.0	-105.83	320.30	4.80	-101.03
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000498392	1	37	-2.0	-117.64	342.65	6.44	-111.20
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000498393	0	28	-2.0	-111.34	302.85	4.14	-107.20
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000498394	1	39	-2.0	-115.98	369.52	4.93	-111.05
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000498395	1	35	-2.0	-121.56	338.48	5.18	-116.38
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000498396	1	41	-2.0	-120.23	366.43	7.74	-112.49
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000498397	1	40	-2.0	-118.49	365.09	7.12	-111.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC)C=C1Cl	REAL300000498398	1	37	-2.0	-114.43	341.32	6.83	-107.60
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=N1	REAL300000498399	0	38	-2.0	-120.82	361.61	5.70	-115.12
CCN1C=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000498400	0	34	-2.0	-114.13	333.92	5.59	-108.54
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000498400	1	33	-3.0	-191.27	339.61	5.68	-185.59
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000498401	1	38	-2.0	-120.58	355.44	7.00	-113.58
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300000498402	0	31	-2.0	-109.15	314.20	4.26	-104.89
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000498403	1	37	-2.0	-120.63	353.37	4.89	-115.74
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=N1	REAL300000498404	0	35	-2.0	-116.48	340.11	4.22	-112.26
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000498405	1	39	-2.0	-102.47	364.83	5.73	-96.74
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000498406	1	31	-2.0	-105.07	338.86	5.97	-99.10
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000498407	0	31	-2.0	-107.59	328.79	5.69	-101.90
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300000498408	1	35	-2.0	-99.54	358.30	5.94	-93.60
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=N1	REAL300000498409	1	38	-2.0	-101.54	362.35	6.11	-95.43
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000498410	1	34	-2.0	-106.74	331.90	5.93	-100.81
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000498411	1	35	-2.0	-100.48	348.50	5.46	-95.02
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CC)C=C2Cl)C=C1C(=O)[O-]	REAL300000498412	1	38	-2.0	-122.11	360.33	6.09	-116.02
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300000498413	0	31	-2.0	-112.49	320.87	5.00	-107.49
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300000498414	0	31	-2.0	-104.75	339.41	6.13	-98.62
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000498415	0	31	-2.0	-100.36	324.25	5.67	-94.69
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000498416	1	31	-2.0	-102.25	315.73	5.16	-97.09
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000498417	0	28	-2.0	-104.69	303.45	4.25	-100.44
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000498418	0	31	-2.0	-106.38	317.60	5.18	-101.20
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000498419	0	34	-2.0	-114.26	336.95	5.82	-108.44
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=N1	REAL300000498420	0	35	-2.0	-104.96	351.51	5.74	-99.22
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000498421	0	31	-2.0	-102.37	316.66	5.19	-97.18
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000498422	1	31	-2.0	-100.39	323.70	5.52	-94.87
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300000498423	1	34	-2.0	-108.42	340.64	6.32	-102.10
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000498424	0	39	-2.0	-99.10	374.93	6.53	-92.57
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000498425	1	31	-2.0	-104.29	322.01	5.21	-99.08
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000498426	0	33	-2.0	-100.38	339.38	5.79	-94.59
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000498427	0	32	-2.0	-115.13	320.91	2.85	-112.28
CCN1C=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000498427	1	32	-2.0	-115.27	319.22	3.64	-111.63
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000498428	1	34	-2.0	-106.58	333.37	5.90	-100.68
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000498429	1	31	-2.0	-105.78	331.90	5.65	-100.13
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000498430	1	34	-2.0	-111.65	321.26	5.75	-105.90
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000498431	1	34	-2.0	-114.23	336.02	5.77	-108.46
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000498432	1	34	-2.0	-102.94	326.62	5.88	-97.06
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000498433	1	37	-2.0	-120.23	348.01	6.29	-113.94
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000498434	0	33	-2.0	-113.56	337.76	6.20	-107.36
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000498435	0	31	-2.0	-104.38	322.95	5.24	-99.14
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000498436	1	37	-2.0	-116.20	344.58	6.52	-109.68
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000498437	0	34	-2.0	-115.14	336.51	5.81	-109.33
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=N1	REAL300000498438	0	34	-2.0	-112.80	342.96	6.24	-106.56
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=N1	REAL300000498439	0	34	-2.0	-120.38	336.23	5.81	-114.57
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC)C=C2Cl)C=C1C(=O)[O-]	REAL300000498440	1	37	-2.0	-117.61	345.44	6.30	-111.31
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=N1	REAL300000498441	1	38	-2.0	-117.30	361.68	5.25	-112.05
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=N1	REAL300000498442	1	34	-2.0	-104.93	337.45	6.30	-98.63
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300000498443	1	34	-2.0	-99.32	341.32	5.93	-93.39
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000498444	1	34	-2.0	-113.15	342.41	6.08	-107.07
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=N1	REAL300000498445	0	35	-2.0	-115.19	339.21	5.34	-109.85
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=N1	REAL300000498446	1	43	-2.0	-115.94	376.34	8.00	-107.94
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000498447	1	34	-2.0	-108.87	341.05	6.08	-102.79
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=N1	REAL300000498448	0	40	-2.0	-112.04	360.63	7.21	-104.83
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=N1	REAL300000498449	0	35	-2.0	-116.63	351.52	5.74	-110.89
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000498450	1	34	-2.0	-103.03	327.22	5.66	-97.37
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000498451	0	36	-2.0	-107.21	354.47	7.31	-99.90
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000498452	1	34	-2.0	-113.75	330.73	5.96	-107.79
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000498453	0	33	-2.0	-122.53	334.92	6.98	-115.55
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000498454	0	31	-2.0	-119.58	314.85	5.15	-114.43
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000498455	1	34	-2.0	-107.20	332.36	5.69	-101.51
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000498456	1	37	-2.0	-124.07	352.23	7.24	-116.83
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000498457	0	30	-2.0	-112.68	308.18	3.17	-109.51
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300000498458	0	35	-2.0	-107.18	339.40	4.93	-102.25
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000498459	0	28	-2.0	-103.23	311.30	4.08	-99.15
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000498460	1	38	-2.0	-109.47	357.33	7.00	-102.47
CCN1C=C(Cl)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000498461	1	38	-2.0	-113.31	356.65	7.00	-106.31
CCC1=C(S(=O)(=O)[N-]C2=NN(CC)C=C2Cl)C=C(C(=O)[O-])O1	REAL300000498462	0	34	-2.0	-108.95	333.32	5.11	-103.84
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000498463	1	44	-2.0	-105.27	378.51	7.11	-98.16
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000498464	1	44	-2.0	-95.11	373.97	7.09	-88.02
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000498465	1	44	-2.0	-108.05	373.98	7.08	-100.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1COC(C)(C)C	REAL300000498466	0	48	-2.0	-113.45	402.12	6.87	-106.58
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000498467	1	48	-2.0	-94.51	405.43	8.37	-86.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)C=C1C(=O)[O-]	REAL300000498468	1	47	-2.0	-109.30	390.01	7.61	-101.69
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000498469	0	44	-2.0	-103.42	387.05	7.65	-95.77
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000498470	1	44	-2.0	-103.77	386.48	7.47	-96.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)=C1C	REAL300000498471	1	50	-2.0	-110.62	407.09	8.42	-102.20
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000498472	0	44	-2.0	-105.24	379.45	7.14	-98.10
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000498473	1	50	-2.0	-93.87	417.55	8.67	-85.20
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000498474	0	41	-2.0	-102.13	367.16	6.09	-96.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1COC(C)(C)C	REAL300000498475	1	47	-2.0	-108.60	389.41	7.87	-100.73
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000498476	1	48	-2.0	-93.22	405.05	7.35	-85.87
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)C=C1C(=O)[O-]	REAL300000498477	0	45	-2.0	-106.31	380.63	6.42	-99.89
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1COC(C)(C)C	REAL300000498478	1	48	-2.0	-108.90	398.18	5.89	-103.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)=C1	REAL300000498479	0	44	-2.0	-98.16	383.11	6.76	-91.40
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)C=C1C(=O)[O-]	REAL300000498480	1	50	-2.0	-110.01	405.43	8.40	-101.61
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000498481	0	41	-2.0	-103.59	365.63	6.11	-97.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)C=C1C(=O)[O-]	REAL300000498482	1	48	-2.0	-113.84	401.26	7.14	-106.70
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1COC(C)(C)C	REAL300000498483	1	50	-2.0	-106.85	401.89	8.75	-98.10
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)C=C(C(=O)[O-])O1	REAL300000498484	0	44	-2.0	-101.48	376.99	6.21	-95.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)=C1	REAL300000498485	0	48	-2.0	-108.71	402.94	6.17	-102.54
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1COC(C)(C)C	REAL300000498486	1	47	-2.0	-99.15	394.70	7.89	-91.26
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)C=C(C(=O)[O-])S1	REAL300000498487	0	44	-2.0	-105.06	382.60	6.97	-98.09
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000498488	0	44	-2.0	-92.62	387.03	7.64	-84.98
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000498489	1	44	-2.0	-94.52	378.49	7.12	-87.40
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000498490	0	41	-2.0	-96.84	366.24	6.21	-90.63
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000498491	0	44	-2.0	-98.76	380.38	7.14	-91.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)=C1F	REAL300000498492	0	47	-2.0	-106.79	399.72	7.77	-99.02
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000498493	0	44	-2.0	-94.63	379.44	7.15	-87.48
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000498494	1	44	-2.0	-92.64	386.46	7.48	-85.16
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000498495	1	44	-2.0	-96.76	384.80	7.17	-89.59
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000498496	0	45	-2.0	-107.39	383.69	4.78	-102.61
CC(C)(C)OCC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000498496	1	45	-2.0	-106.72	378.04	5.63	-101.09
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000498497	1	47	-2.0	-98.72	396.15	7.86	-90.86
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1COC(C)(C)C	REAL300000498498	1	47	-2.0	-104.17	384.02	7.72	-96.45
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)=CC(C(=O)[O-])=C1F	REAL300000498499	1	47	-2.0	-106.71	398.81	7.73	-98.98
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1COC(C)(C)C	REAL300000498500	1	47	-2.0	-95.15	389.39	7.85	-87.30
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)=CC(C(=O)[O-])=C1C	REAL300000498501	1	50	-2.0	-111.32	406.88	8.15	-103.17
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000498502	0	44	-2.0	-96.83	385.71	7.19	-89.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)C(C)=C1C(=O)[O-]	REAL300000498503	1	50	-2.0	-108.36	408.46	8.47	-99.89
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)C=C1C(=O)[O-]	REAL300000498504	0	47	-2.0	-106.44	395.45	7.68	-98.76
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)=C1	REAL300000498505	0	47	-2.0	-113.29	398.99	7.77	-105.52
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)C=C1C(=O)[O-]	REAL300000498506	1	50	-2.0	-109.93	407.91	8.26	-101.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)C=C1C(=O)[O-]	REAL300000498507	0	48	-2.0	-107.60	402.00	7.29	-100.31
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)=CC=C1C(=O)[O-]	REAL300000498508	1	47	-2.0	-96.89	394.03	7.72	-89.17
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1COC(C)(C)C	REAL300000498509	1	47	-2.0	-105.85	393.93	7.89	-97.96
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000498510	0	44	-2.0	-112.40	377.61	7.10	-105.30
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)C=C1C(=O)[O-]	REAL300000498511	1	47	-2.0	-99.64	395.14	7.65	-91.99
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000498512	0	43	-2.0	-105.93	370.19	5.19	-100.74
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1COC(C)(C)C	REAL300000498513	0	48	-2.0	-99.40	402.18	6.87	-92.53
CC(C)(C)OCC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000498514	0	41	-2.0	-95.51	374.08	6.05	-89.46
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2COC(C)(C)C)C=C(C(=O)[O-])O1	REAL300000498515	0	47	-2.0	-101.22	396.02	7.06	-94.16
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000498516	1	40	-2.0	-100.27	366.22	7.19	-93.08
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000498517	1	40	-2.0	-90.55	361.68	7.17	-83.38
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000498518	1	40	-2.0	-102.35	361.69	7.16	-95.19
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000498519	0	44	-2.0	-107.68	389.85	6.96	-100.72
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000498520	1	44	-2.0	-90.25	393.15	8.45	-81.80
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000498521	1	43	-2.0	-103.55	377.71	7.69	-95.86
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000498522	0	40	-2.0	-98.25	374.77	7.73	-90.52
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000498523	1	40	-2.0	-98.48	374.20	7.55	-90.93
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000498524	1	46	-2.0	-105.30	394.79	8.50	-96.80
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000498525	0	40	-2.0	-99.68	367.18	7.22	-92.46
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000498526	1	46	-2.0	-89.34	405.27	8.75	-80.59
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000498527	0	37	-2.0	-97.02	354.88	6.18	-90.84
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000498528	1	43	-2.0	-103.57	377.13	7.95	-95.62
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000498529	1	44	-2.0	-88.84	392.77	7.44	-81.40
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000498530	0	41	-2.0	-100.80	368.34	6.51	-94.29
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000498531	1	44	-2.0	-104.01	385.90	5.98	-98.03
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000498532	0	40	-2.0	-93.19	370.80	6.84	-86.35
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000498533	1	46	-2.0	-104.65	393.14	8.49	-96.16
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000498534	0	37	-2.0	-98.47	353.35	6.20	-92.27
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000498535	1	44	-2.0	-108.18	388.99	7.23	-100.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC)C=C1CC	REAL300000498536	1	46	-2.0	-101.91	382.01	8.58	-93.33
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000498537	0	40	-2.0	-96.86	364.69	6.30	-90.56
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000498538	0	44	-2.0	-103.05	390.62	6.26	-96.79
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000498539	1	43	-2.0	-94.41	382.40	7.99	-86.42
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000498540	0	40	-2.0	-100.15	370.31	7.06	-93.09
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000498541	0	40	-2.0	-88.15	374.73	7.72	-80.43
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000498542	1	40	-2.0	-90.24	366.23	7.20	-83.04
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000498543	0	37	-2.0	-92.08	353.95	6.29	-85.79
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000498544	0	40	-2.0	-93.69	368.11	7.23	-86.46
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000498545	0	43	-2.0	-101.03	387.43	7.86	-93.17
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000498546	0	40	-2.0	-89.81	367.14	7.23	-82.58
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000498547	1	40	-2.0	-88.23	374.20	7.56	-80.67
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000498548	1	40	-2.0	-92.02	372.50	7.25	-84.77
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000498549	0	41	-2.0	-102.45	371.42	4.87	-97.58
CCC1=CC(C(=O)OC)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000498549	1	41	-2.0	-104.05	362.64	5.68	-98.37
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000498550	1	43	-2.0	-93.71	383.87	7.94	-85.77
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000498551	1	43	-2.0	-98.43	371.73	7.81	-90.62
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000498552	1	43	-2.0	-101.58	386.51	7.81	-93.77
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000498553	1	43	-2.0	-90.81	377.11	7.94	-82.87
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000498554	1	46	-2.0	-105.33	394.58	8.23	-97.10
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000498555	0	40	-2.0	-91.60	373.41	7.28	-84.32
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000498556	1	46	-2.0	-102.51	396.18	8.55	-93.96
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000498557	0	43	-2.0	-100.67	383.18	7.76	-92.91
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000498558	0	43	-2.0	-106.97	386.73	7.85	-99.12
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2CC)C=C1C(=O)[O-]	REAL300000498559	1	46	-2.0	-104.20	395.98	8.35	-95.85
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000498560	0	44	-2.0	-101.98	389.71	7.38	-94.60
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000498561	1	43	-2.0	-90.59	377.72	7.70	-82.89
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000498562	1	43	-2.0	-101.28	381.64	7.98	-93.30
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000498563	0	40	-2.0	-106.23	365.33	7.18	-99.05
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000498564	1	43	-2.0	-94.22	382.84	7.73	-86.49
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000498565	0	39	-2.0	-100.15	357.91	5.28	-94.87
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000498566	0	44	-2.0	-94.37	389.88	6.95	-87.42
CCC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000498567	0	37	-2.0	-90.83	361.79	6.15	-84.68
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2CC)C=C(C(=O)[O-])O1	REAL300000498568	0	43	-2.0	-96.56	379.17	7.03	-89.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C(F)(F)F)=C2)C=C1	REAL300000498569	1	34	-2.0	-99.76	330.56	4.72	-95.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C(F)(F)F)=C2)=C1	REAL300000498570	1	34	-2.0	-112.33	330.57	4.72	-107.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000498571	1	37	-2.0	-113.51	346.59	5.24	-108.27
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C(F)(F)F)=C2)=C1	REAL300000498572	0	31	-2.0	-106.48	323.75	3.73	-102.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NNC=C2C(C(F)(F)F)=C1	REAL300000498573	1	37	-2.0	-113.94	346.00	5.49	-108.45
CN1C=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000498574	0	35	-2.0	-110.70	337.22	4.06	-106.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C(F)(F)F)=C2)=CS1	REAL300000498575	0	31	-2.0	-108.02	322.22	3.75	-104.27
CC1=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000498576	0	34	-2.0	-106.61	333.58	3.85	-102.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C(F)(F)F)=C2)S1	REAL300000498577	0	31	-2.0	-101.44	322.84	3.83	-97.61
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C(F)(F)F)=C2)C=C1	REAL300000498578	1	37	-2.0	-103.70	352.74	5.48	-98.22
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=NNC=C2C(C(F)(F)F)=C1	REAL300000498579	1	37	-2.0	-108.03	340.64	5.36	-102.67
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=NNC=C2C(C(F)(F)F)=C1	REAL300000498580	1	37	-2.0	-100.12	345.98	5.49	-94.63
CC1=CC(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000498581	1	37	-2.0	-99.93	346.58	5.25	-94.68
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=NNC=C3C(C(F)(F)F)=C2)=C1	REAL300000498582	0	33	-2.0	-109.95	326.79	2.84	-107.11
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000498583	0	40	-2.0	-90.89	367.32	4.35	-86.54
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000498584	1	33	-2.0	-108.10	316.89	5.87	-102.23
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(C)=O	REAL300000498585	0	41	-2.0	-107.56	370.47	6.85	-100.71
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000498586	1	33	-2.0	-98.38	312.34	5.85	-92.53
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000498587	0	33	-2.0	-110.58	310.86	5.77	-104.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(C)=O	REAL300000498588	0	37	-2.0	-114.73	338.22	5.54	-109.19
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000498589	0	37	-2.0	-97.02	342.31	7.06	-89.96
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000498590	1	36	-2.0	-111.68	326.09	6.28	-105.40
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000498591	0	33	-2.0	-105.04	325.42	6.42	-98.62
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000498592	0	33	-2.0	-106.42	323.36	6.16	-100.26
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000498593	1	39	-2.0	-111.92	343.18	7.09	-104.83
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000498594	0	33	-2.0	-107.27	317.83	5.91	-101.36
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000498595	0	39	-2.0	-96.05	353.65	7.34	-88.71
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000498596	0	30	-2.0	-104.83	303.26	4.76	-100.07
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000498597	0	36	-2.0	-110.29	327.79	6.64	-103.65
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000498598	1	37	-2.0	-95.63	341.15	6.03	-89.60
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000498599	0	34	-2.0	-109.05	317.49	5.12	-103.93
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000498600	1	37	-2.0	-110.76	336.13	4.68	-106.08
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000498601	0	33	-2.0	-101.45	321.49	5.53	-95.92
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000498602	1	39	-2.0	-112.72	346.30	7.20	-105.52
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000498603	0	30	-2.0	-106.34	302.50	4.81	-101.53
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)=O)=CC(C(=O)[O-])=C1OC	REAL300000498604	0	41	-2.0	-111.42	369.16	5.58	-105.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000498605	1	37	-2.0	-116.67	339.64	5.91	-110.76
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000498606	0	43	-2.0	-114.30	366.08	8.39	-105.91
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000498607	0	42	-2.0	-111.93	365.52	7.85	-104.08
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(C)=O	REAL300000498608	0	39	-2.0	-106.99	336.48	7.43	-99.56
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(C)=O	REAL300000498609	0	40	-2.0	-116.36	362.78	6.41	-109.95
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000498610	0	35	-3.0	-188.22	340.76	6.41	-181.81
CC(=O)C1=CC(F)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000498610	1	36	-2.0	-108.91	336.66	6.28	-102.63
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000498611	0	40	-2.0	-114.61	355.10	7.66	-106.95
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000498612	0	33	-2.0	-103.78	313.86	4.91	-98.87
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000498613	0	39	-2.0	-115.78	353.01	5.54	-110.24
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000498614	0	37	-2.0	-112.75	339.76	4.86	-107.89
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000498615	1	41	-2.0	-96.20	362.99	6.35	-89.85
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000498616	0	33	-2.0	-101.64	328.44	6.36	-95.28
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000498617	1	40	-2.0	-96.12	361.23	6.74	-89.38
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000498618	0	36	-2.0	-100.89	330.78	6.57	-94.32
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000498619	0	37	-2.0	-95.07	347.37	6.10	-88.97
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000498620	1	40	-2.0	-117.09	359.21	6.72	-110.37
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000498621	0	33	-2.0	-106.64	319.47	5.67	-100.97
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000498622	0	33	-2.0	-95.18	323.12	6.31	-88.87
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000498623	0	33	-2.0	-97.82	316.89	5.88	-91.94
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000498624	0	30	-2.0	-100.18	304.62	4.97	-95.21
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000498625	0	33	-2.0	-101.56	317.26	5.83	-95.73
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000498626	0	36	-2.0	-108.65	335.82	6.44	-102.21
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000498627	0	33	-2.0	-97.64	315.53	5.82	-91.82
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000498628	0	33	-2.0	-95.91	324.86	6.25	-89.66
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000498629	0	36	-2.0	-102.75	341.80	7.06	-95.69
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000498630	0	41	-2.0	-93.38	373.82	7.16	-86.22
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000498631	0	33	-2.0	-99.50	320.89	5.84	-93.66
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000498632	0	35	-2.0	-95.51	338.26	6.42	-89.09
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000498633	0	34	-2.0	-108.20	319.79	3.45	-104.75
CC(=O)C1=CC(F)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000498633	1	34	-2.0	-107.52	313.79	4.35	-103.17
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000498634	0	36	-2.0	-100.88	332.25	6.53	-94.35
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000498635	0	33	-2.0	-101.20	333.06	6.37	-94.83
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000498636	1	36	-2.0	-107.56	322.39	6.49	-101.07
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000498637	1	36	-2.0	-109.52	335.68	6.42	-103.10
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000498638	1	36	-2.0	-97.95	326.26	6.55	-91.40
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000498639	1	39	-2.0	-113.73	342.95	6.82	-106.91
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000498640	0	35	-2.0	-108.70	336.65	6.85	-101.85
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000498641	0	33	-2.0	-99.20	322.58	5.89	-93.31
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000498642	1	39	-2.0	-111.86	343.61	7.15	-104.71
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000498643	0	36	-2.0	-109.35	335.39	6.45	-102.90
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000498644	0	36	-2.0	-106.80	341.85	6.88	-99.92
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000498645	0	36	-2.0	-116.76	337.37	6.54	-110.22
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000498646	1	39	-2.0	-112.87	346.32	7.03	-105.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)=O)C=C1CC(=O)[O-]	REAL300000498647	1	40	-2.0	-113.94	361.32	5.90	-108.04
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000498648	0	36	-2.0	-100.67	338.62	7.03	-93.64
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000498649	0	36	-2.0	-108.15	341.29	6.71	-101.44
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)=O)C=C1C(=O)[O-]	REAL300000498650	0	37	-2.0	-110.37	338.87	5.99	-104.38
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000498651	1	45	-2.0	-111.68	375.22	8.62	-103.06
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000498652	0	36	-2.0	-104.31	342.21	6.81	-97.50
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000498653	0	42	-2.0	-105.51	356.30	7.85	-97.66
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000498654	1	36	-2.0	-100.14	332.42	6.49	-93.65
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000498655	0	38	-2.0	-101.61	354.10	7.97	-93.64
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000498656	1	36	-2.0	-107.48	332.30	6.66	-100.82
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000498657	0	35	-2.0	-117.62	333.81	7.60	-110.02
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000498658	0	33	-2.0	-115.67	314.51	5.80	-109.87
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000498659	0	36	-2.0	-102.30	331.23	6.32	-95.98
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000498660	0	39	-2.0	-119.52	353.39	7.96	-111.56
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000498661	0	32	-2.0	-108.69	307.06	3.89	-104.80
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C=C1C(C)=O	REAL300000498662	0	37	-2.0	-101.99	338.27	5.54	-96.45
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000498663	0	30	-2.0	-97.91	310.18	4.72	-93.19
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000498664	0	40	-2.0	-103.96	356.20	7.64	-96.32
CC(=O)C1=CC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000498665	0	40	-2.0	-108.53	354.93	7.63	-100.90
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2C(C)=O)C=C(C(=O)[O-])O1	REAL300000498666	0	36	-2.0	-102.65	329.15	5.75	-96.90
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)S1	REAL300000498667	0	37	-2.0	-85.80	353.46	2.19	-83.61
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)S1	REAL300000498668	0	30	-2.0	-101.22	301.54	3.63	-97.59
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N=C(C)S1	REAL300000498669	0	38	-2.0	-102.58	356.62	4.70	-97.88
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)S1	REAL300000498670	0	30	-2.0	-98.45	313.42	4.32	-94.13
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300000498671	0	30	-2.0	-91.38	296.98	3.61	-87.77
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)S1	REAL300000498672	0	30	-2.0	-103.49	297.00	3.60	-99.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N=C(C)S1	REAL300000498673	0	34	-2.0	-108.50	325.14	3.40	-105.10
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)S1	REAL300000498674	0	30	-2.0	-99.03	313.25	4.09	-94.94
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)S1	REAL300000498675	0	34	-2.0	-91.63	328.45	4.90	-86.73
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)S1	REAL300000498676	0	33	-2.0	-104.48	313.01	4.14	-100.34
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)S1	REAL300000498677	0	30	-2.0	-99.03	310.07	4.16	-94.87
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000498678	0	30	-2.0	-99.47	309.51	4.00	-95.47
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)S1	REAL300000498679	0	30	-2.0	-94.82	322.56	4.55	-90.27
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)S1	REAL300000498680	0	36	-2.0	-106.35	329.66	4.94	-101.41
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300000498681	0	30	-2.0	-100.51	302.46	3.67	-96.84
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)S1	REAL300000498682	0	36	-2.0	-90.71	340.57	5.18	-85.53
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)S1	REAL300000498683	0	27	-2.0	-98.00	290.19	2.62	-95.38
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)S1	REAL300000498684	0	33	-2.0	-104.35	312.43	4.38	-99.97
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)S1	REAL300000498685	0	34	-2.0	-90.23	328.06	3.88	-86.35
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)S1	REAL300000498686	0	41	-2.0	-86.89	373.84	4.66	-82.23
CC1=NC(C)=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)S1	REAL300000498687	0	27	-2.0	-94.92	307.21	3.39	-91.53
CC1=NC(C)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)S1	REAL300000498688	0	31	-2.0	-101.79	303.65	2.95	-98.84
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)S1	REAL300000498689	0	34	-2.0	-105.08	320.78	2.43	-102.65
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)S1	REAL300000498690	0	30	-2.0	-93.96	306.10	3.28	-90.68
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)S1	REAL300000498691	0	36	-2.0	-105.44	328.45	4.92	-100.52
CC1=NC(C)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)S1	REAL300000498692	0	27	-2.0	-99.48	288.65	2.63	-96.85
COC1=CC(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)=CC(C(=O)[O-])=C1OC	REAL300000498693	0	38	-2.0	-103.79	355.33	3.41	-100.38
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)C=C1C(=O)[O-]	REAL300000498694	0	34	-2.0	-109.34	324.30	3.67	-105.67
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)S1	REAL300000498695	0	40	-2.0	-107.88	352.23	6.23	-101.65
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)S1	REAL300000498696	0	39	-2.0	-106.39	350.90	5.59	-100.80
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N=C(C)S1	REAL300000498697	0	36	-2.0	-102.92	327.12	5.33	-97.59
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)N=C(C)S1	REAL300000498698	0	37	-2.0	-108.35	347.43	4.16	-104.19
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)S1	REAL300000498699	0	32	-3.0	-176.87	325.40	4.17	-172.70
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)S1	REAL300000498700	0	37	-2.0	-108.15	341.23	5.50	-102.65
CC1=NC(C)=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)S1	REAL300000498701	0	30	-2.0	-97.42	300.00	2.74	-94.68
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)S1	REAL300000498702	0	36	-2.0	-108.14	339.17	3.37	-104.77
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)S1	REAL300000498703	0	34	-2.0	-104.47	325.91	2.70	-101.77
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)S1	REAL300000498704	0	38	-2.0	-90.72	349.92	4.20	-86.52
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000498705	0	30	-2.0	-93.35	324.68	4.45	-88.90
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)S1	REAL300000498706	0	30	-2.0	-96.00	314.59	4.20	-91.80
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)S1	REAL300000498707	0	34	-2.0	-88.92	344.10	4.42	-84.50
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)S1	REAL300000498708	0	37	-2.0	-90.66	348.15	4.58	-86.08
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)S1	REAL300000498709	0	40	-2.0	-90.08	376.74	4.84	-85.24
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)S1	REAL300000498710	0	33	-2.0	-95.15	317.71	4.42	-90.73
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)S1	REAL300000498711	0	43	-2.0	-91.09	390.61	5.51	-85.58
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)S1	REAL300000498712	0	34	-2.0	-89.96	334.30	3.94	-86.02
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)C=C1C(=O)[O-]	REAL300000498713	0	37	-2.0	-109.98	346.15	4.58	-105.40
CC1=NC(C)=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)S1	REAL300000498714	0	30	-2.0	-100.70	306.69	3.49	-97.21
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)S1	REAL300000498715	0	30	-2.0	-92.97	325.22	4.61	-88.36
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)S1	REAL300000498716	0	30	-2.0	-89.06	310.04	4.16	-84.90
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)S1	REAL300000498717	0	30	-2.0	-88.61	313.39	4.30	-84.31
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300000498718	0	30	-2.0	-91.04	301.52	3.64	-87.40
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)S1	REAL300000498719	0	27	-2.0	-93.03	289.26	2.72	-90.31
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000498720	0	30	-2.0	-94.56	303.41	3.66	-90.90
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)S1	REAL300000498721	0	33	-2.0	-101.77	322.75	4.31	-97.46
COC1=CC(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)=C(Cl)C=C1C(=O)[O-]	REAL300000498722	0	34	-2.0	-93.65	337.30	4.22	-89.43
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300000498723	0	30	-2.0	-90.71	302.45	3.67	-87.04
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)S1	REAL300000498724	0	30	-2.0	-89.03	309.49	4.00	-85.03
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)S1	REAL300000498725	0	33	-2.0	-96.80	326.44	4.80	-92.00
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)S1	REAL300000498726	0	38	-2.0	-88.71	360.73	5.01	-83.70
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)S1	REAL300000498727	0	30	-2.0	-88.63	313.23	4.10	-84.53
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)S1	REAL300000498728	0	30	-2.0	-93.00	307.82	3.70	-89.30
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)S1	REAL300000498729	0	32	-2.0	-88.99	325.19	4.26	-84.73
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)S1	REAL300000498730	0	31	-2.0	-103.14	306.70	1.33	-101.81
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)S1	REAL300000498731	0	33	-2.0	-94.92	319.18	4.38	-90.54
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)S1	REAL300000498732	0	30	-2.0	-94.30	317.71	4.13	-90.17
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)S1	REAL300000498733	0	33	-2.0	-99.82	307.03	4.24	-95.58
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)S1	REAL300000498734	0	33	-2.0	-102.40	321.83	4.25	-98.15
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)S1	REAL300000498735	0	33	-2.0	-91.64	312.41	4.37	-87.27
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)S1	REAL300000498736	0	36	-2.0	-106.24	330.46	4.68	-101.56
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)S1	REAL300000498737	0	32	-2.0	-102.41	323.57	4.69	-97.72
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)S1	REAL300000498738	0	30	-2.0	-92.36	308.75	3.73	-88.63
CC1=NC(C)=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)S1	REAL300000498739	0	27	-2.0	-91.03	309.58	3.28	-87.75
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)S1	REAL300000498740	0	36	-2.0	-104.20	330.53	5.00	-99.20
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)S1	REAL300000498741	0	33	-2.0	-102.69	322.31	4.30	-98.39
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)S1	REAL300000498742	0	33	-2.0	-100.65	328.76	4.74	-95.91
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)S1	REAL300000498743	0	33	-2.0	-108.13	322.04	4.29	-103.84
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)C=C1C(=O)[O-]	REAL300000498744	0	36	-2.0	-105.19	331.32	4.79	-100.40
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)C=C1CC(=O)[O-]	REAL300000498745	0	37	-2.0	-105.19	347.47	3.72	-101.47
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)S1	REAL300000498746	0	33	-2.0	-93.20	323.26	4.79	-88.41
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)S1	REAL300000498747	0	33	-2.0	-88.17	327.12	4.41	-83.76
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)S1	REAL300000498748	0	33	-2.0	-101.06	328.23	4.56	-96.50
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)S1	REAL300000498749	0	30	-2.0	-96.30	318.30	4.21	-92.09
CCN1C=C(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)C=C1C(=O)[O-]	REAL300000498750	0	34	-2.0	-102.88	324.95	3.80	-99.08
CC1=NC(C)=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)S1	REAL300000498751	0	42	-2.0	-104.21	362.14	6.46	-97.75
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)S1	REAL300000498752	0	30	-2.0	-91.29	322.61	4.16	-87.13
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)S1	REAL300000498753	0	34	-2.0	-90.48	341.70	3.90	-86.58
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)S1	REAL300000498754	0	33	-2.0	-98.00	330.77	4.67	-93.33
CC1=NC(C)=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)S1	REAL300000498755	0	39	-2.0	-100.76	346.44	5.73	-95.03
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)C=C1C(=O)[O-]	REAL300000498756	0	34	-2.0	-104.58	337.32	4.23	-100.35
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)S1	REAL300000498757	0	33	-2.0	-91.39	313.00	4.15	-87.24
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300000498758	0	35	-2.0	-95.98	340.28	5.79	-90.19
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)S1	REAL300000498759	0	33	-2.0	-102.26	316.53	4.43	-97.83
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])S1	REAL300000498760	0	32	-2.0	-110.88	320.73	5.47	-105.41
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300000498761	0	30	-2.0	-107.54	300.63	3.63	-103.91
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)S1	REAL300000498762	0	33	-2.0	-96.24	321.95	4.27	-91.97
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)S1	REAL300000498763	0	36	-2.0	-111.59	338.04	5.72	-105.87
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)S1	REAL300000498764	0	29	-2.0	-100.63	293.98	1.66	-98.97
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)N=C(C)S1	REAL300000498765	0	34	-2.0	-95.30	325.20	3.41	-91.89
CC1=NC(C)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)S1	REAL300000498766	0	27	-2.0	-91.54	297.09	2.58	-88.96
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300000498767	0	34	-2.0	-98.98	340.79	4.15	-94.83
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)S1	REAL300000498768	0	33	-2.0	-94.73	340.35	0.63	-94.10
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)S1	REAL300000498769	0	37	-2.0	-98.00	343.13	5.48	-92.52
CC1=NC(C)=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)S1	REAL300000498770	0	37	-2.0	-100.80	341.08	5.46	-95.34
CCC1=C(S(=O)(=O)[N-]C2=C(C)N=C(C)S2)C=C(C(=O)[O-])O1	REAL300000498771	0	33	-2.0	-97.30	319.12	3.59	-93.71
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1SC	REAL300000498772	1	38	-2.0	-101.64	360.69	6.57	-95.07
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1SC	REAL300000498773	1	38	-2.0	-91.96	356.14	6.54	-85.42
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1SC	REAL300000498774	1	38	-2.0	-103.83	356.15	6.53	-97.30
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1SC	REAL300000498775	1	41	-2.0	-106.23	376.22	7.18	-99.05
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1SC	REAL300000498776	0	38	-2.0	-100.76	361.62	6.60	-94.16
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1SC	REAL300000498777	0	35	-2.0	-98.33	349.33	5.55	-92.78
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1SC	REAL300000498778	1	41	-2.0	-104.69	371.58	7.32	-97.37
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1SC	REAL300000498779	0	39	-2.0	-102.32	362.79	5.88	-96.44
COC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1SC	REAL300000498780	0	35	-2.0	-99.75	347.80	5.57	-94.18
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1SC	REAL300000498781	0	38	-2.0	-98.05	359.15	5.68	-92.37
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1SC	REAL300000498782	1	38	-2.0	-91.62	360.67	6.58	-85.04
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1SC	REAL300000498783	0	35	-2.0	-93.49	348.42	5.67	-87.82
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1SC	REAL300000498784	1	38	-2.0	-94.92	362.55	6.60	-88.32
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1SC	REAL300000498785	0	38	-2.0	-91.24	361.61	6.61	-84.63
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1SC	REAL300000498786	0	39	-2.0	-103.54	365.86	4.25	-99.29
COC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1SC	REAL300000498786	1	39	-2.0	-104.59	364.97	5.12	-99.47
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1SC	REAL300000498787	1	41	-2.0	-96.02	378.33	7.32	-88.70
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1SC	REAL300000498788	1	41	-2.0	-100.29	366.22	7.17	-93.12
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000498790	0	42	-2.0	-103.57	384.18	6.75	-96.82
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1SC	REAL300000498791	1	41	-2.0	-92.07	372.15	7.08	-84.99
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1SC	REAL300000498792	0	38	-2.0	-107.97	359.76	6.56	-101.41
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1SC	REAL300000498793	0	37	-2.0	-100.76	353.13	4.59	-96.17
CCC1=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000498794	0	41	-2.0	-97.94	378.28	6.53	-91.41
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000498795	0	43	-2.0	-84.48	374.97	3.93	-80.55
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000498796	0	36	-2.0	-100.23	324.64	5.30	-94.93
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1C	REAL300000498797	0	44	-2.0	-101.87	378.98	6.40	-95.47
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000498798	0	36	-2.0	-90.43	318.49	5.35	-85.08
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000498799	0	36	-2.0	-102.82	320.11	5.26	-97.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1C	REAL300000498800	0	40	-2.0	-108.10	347.50	5.09	-103.01
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000498801	0	40	-2.0	-90.41	349.96	6.64	-83.77
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000498802	0	39	-2.0	-103.58	334.55	5.88	-97.70
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000498803	0	36	-2.0	-98.50	331.99	5.92	-92.58
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000498804	0	36	-2.0	-98.57	332.62	5.65	-92.92
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000498805	0	36	-2.0	-94.18	344.93	6.25	-87.93
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000498806	0	42	-2.0	-105.57	351.32	6.66	-98.91
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000498807	0	36	-2.0	-99.73	324.40	5.41	-94.32
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000498808	0	42	-2.0	-89.67	362.08	6.92	-82.75
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000498809	0	33	-2.0	-97.03	312.10	4.36	-92.67
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000498810	0	39	-2.0	-103.72	334.35	6.12	-97.60
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000498811	0	40	-2.0	-89.03	349.58	5.63	-83.40
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000498812	0	37	-2.0	-101.03	326.80	4.62	-96.41
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000498813	0	40	-2.0	-104.17	343.14	4.16	-100.01
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000498814	0	36	-2.0	-93.26	328.47	4.99	-88.27
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000498815	0	42	-2.0	-104.97	349.57	6.69	-98.28
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000498816	0	33	-2.0	-98.39	311.76	4.31	-94.08
COC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2C)=CC(C(=O)[O-])=C1OC	REAL300000498817	0	44	-2.0	-102.95	377.27	5.14	-97.81
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2C)C=C1C(=O)[O-]	REAL300000498818	0	40	-2.0	-108.46	346.66	5.37	-103.09
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000498819	0	46	-2.0	-107.40	374.17	7.94	-99.46
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000498820	0	45	-2.0	-105.85	373.27	7.32	-98.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1C	REAL300000498821	0	42	-2.0	-102.34	349.62	7.03	-95.31
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1C	REAL300000498822	0	43	-2.0	-107.79	369.79	5.86	-101.93
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000498823	0	38	-3.0	-176.08	347.36	5.89	-170.19
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000498824	0	43	-2.0	-108.02	364.36	7.18	-100.84
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000498825	0	36	-2.0	-96.88	321.96	4.48	-92.40
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000498826	0	42	-2.0	-107.49	361.08	5.10	-102.39
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000498827	0	40	-2.0	-103.26	347.89	4.41	-98.85
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000498828	0	44	-2.0	-89.66	373.02	5.87	-83.79
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000498829	0	36	-2.0	-92.33	346.63	6.18	-86.15
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000498830	0	36	-2.0	-95.77	337.70	5.87	-89.90
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000498831	0	40	-2.0	-87.99	367.21	6.09	-81.90
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000498832	0	43	-2.0	-89.64	370.52	6.30	-83.34
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000498833	0	39	-2.0	-94.47	340.07	6.12	-88.35
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000498834	0	49	-2.0	-89.91	413.70	7.18	-82.73
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000498835	0	40	-2.0	-88.94	357.40	5.61	-83.33
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2C)C=C1C(=O)[O-]	REAL300000498836	0	43	-2.0	-109.47	369.25	6.25	-103.22
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000498837	0	36	-2.0	-100.12	329.06	5.19	-94.93
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000498838	0	36	-2.0	-92.31	347.58	6.33	-85.98
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000498839	0	36	-2.0	-88.15	331.97	5.91	-82.24
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000498840	0	36	-2.0	-90.23	323.90	5.35	-84.88
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000498841	0	33	-2.0	-92.02	311.19	4.48	-87.54
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000498842	0	36	-2.0	-93.52	325.78	5.37	-88.15
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000498843	0	39	-2.0	-101.17	345.14	6.00	-95.17
COC1=CC(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000498844	0	40	-2.0	-92.79	359.23	5.96	-86.83
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000498845	0	36	-2.0	-89.71	324.38	5.42	-84.29
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000498846	0	36	-2.0	-88.25	331.87	5.71	-82.54
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000498847	0	39	-2.0	-96.19	348.81	6.51	-89.68
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000498848	0	44	-2.0	-87.37	383.11	6.72	-80.65
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000498849	0	36	-2.0	-91.91	329.78	5.42	-86.49
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000498850	0	38	-2.0	-87.98	347.15	5.99	-81.99
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000498851	0	36	-3.0	-195.83	325.07	3.91	-191.92
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000498851	1	37	-2.0	-102.53	328.63	3.04	-99.49
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000498852	0	39	-2.0	-93.99	340.68	6.12	-87.87
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000498853	0	36	-2.0	-93.34	339.66	5.86	-87.48
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000498854	0	39	-2.0	-98.64	329.49	5.94	-92.70
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000498855	0	39	-2.0	-101.75	344.20	5.96	-95.79
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000498856	0	39	-2.0	-90.95	334.78	6.08	-84.87
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000498857	0	42	-2.0	-106.59	356.00	6.53	-100.06
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000498858	0	38	-2.0	-101.29	345.55	6.42	-94.87
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000498859	0	36	-2.0	-91.63	331.12	5.43	-86.20
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000498860	0	42	-2.0	-102.86	352.56	6.75	-96.11
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000498861	0	39	-2.0	-101.88	343.95	6.05	-95.83
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=C(Cl)C(C)=CC(C(=O)[O-])=C1	REAL300000498862	0	39	-2.0	-100.17	351.10	6.44	-93.73
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000498863	0	39	-2.0	-106.87	343.93	6.04	-100.83
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2C)C=C1C(=O)[O-]	REAL300000498864	0	42	-2.0	-104.24	354.40	6.45	-97.79
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2C)C=C1CC(=O)[O-]	REAL300000498865	0	43	-2.0	-104.68	370.57	5.39	-99.29
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000498866	0	39	-2.0	-92.00	344.74	6.54	-85.46
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000498867	0	39	-2.0	-87.28	349.49	6.11	-81.17
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C(C)=C1	REAL300000498868	0	39	-2.0	-100.46	350.58	6.27	-94.19
CCN1C=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2C)C=C1C(=O)[O-]	REAL300000498869	0	40	-2.0	-102.32	348.19	5.49	-96.83
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000498870	0	36	-2.0	-90.54	344.97	5.86	-84.68
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000498871	0	39	-2.0	-97.06	352.84	6.41	-90.65
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000498872	0	45	-2.0	-99.90	368.22	7.51	-92.39
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2C)C=C1C(=O)[O-]	REAL300000498873	0	40	-2.0	-104.05	359.68	5.94	-98.11
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000498874	0	39	-2.0	-90.62	335.46	5.86	-84.76
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000498875	0	41	-2.0	-94.68	362.10	7.52	-87.16
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000498876	0	39	-2.0	-101.33	338.88	6.15	-95.18
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000498877	0	38	-2.0	-109.18	343.09	7.15	-102.03
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000498878	0	36	-2.0	-106.39	323.03	5.33	-101.06
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000498879	0	39	-2.0	-95.49	344.07	6.00	-89.49
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000498880	0	42	-2.0	-111.01	361.16	7.40	-103.61
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000498881	0	35	-2.0	-100.10	315.13	3.46	-96.64
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(C)C)ON=C1C	REAL300000498882	0	40	-2.0	-94.52	347.12	5.12	-89.40
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000498883	0	33	-2.0	-90.82	319.06	4.31	-86.51
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000498884	0	43	-2.0	-96.96	364.64	7.22	-89.74
CC1=NOC(C(C)C)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000498885	0	43	-2.0	-99.50	364.40	7.21	-92.29
CCC1=C(S(=O)(=O)[N-]C2=C(C(C)C)ON=C2C)C=C(C(=O)[O-])O1	REAL300000498886	0	39	-2.0	-96.82	341.08	5.33	-91.49
CC(=O)C1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000498887	0	33	-2.0	-102.99	324.93	6.30	-96.69
CC(=O)C1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000498888	0	33	-2.0	-116.07	325.71	6.31	-109.76
CC(=O)C1=CC=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000498889	0	32	-2.0	-112.29	322.68	4.37	-107.92
CN(C(=O)C1CC1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000498892	1	42	-2.0	-116.10	374.97	7.19	-108.91
CN(C(=O)C1CC1)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000498894	0	42	-2.0	-111.51	380.42	7.26	-104.25
CN(C(=O)C1CC1)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000498895	0	39	-2.0	-107.64	367.27	6.20	-101.44
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N(C)C(=O)C2CC2)C=C1	REAL300000498896	1	45	-2.0	-117.62	390.38	7.98	-109.64
CN(C(=O)C1CC1)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000498897	1	43	-2.0	-114.59	381.60	6.55	-108.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N(C)C(=O)C3CC3)C=C2)=C1	REAL300000498898	0	42	-2.0	-107.57	384.06	6.87	-100.70
CN(C(=O)C1CC1)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000498899	0	39	-2.0	-108.88	366.60	6.23	-102.65
CC1=C(S(=O)(=O)[N-]C2=CC=C(N(C)C(=O)C3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000498900	0	42	-2.0	-110.29	377.98	6.34	-103.95
CC1=C(S(=O)(=O)[N-]C2=CC=C(N(C)C(=O)C3CC3)C=C2)C=C(C(=O)[O-])S1	REAL300000498901	1	42	-2.0	-113.98	383.56	7.09	-106.89
CN(C(=O)C1CC1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000498902	1	42	-2.0	-103.35	379.47	7.24	-96.11
CN(C(=O)C1CC1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000498903	0	39	-2.0	-106.24	367.21	6.32	-99.92
CN(C(=O)C1CC1)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000498904	1	42	-2.0	-105.55	381.36	7.27	-98.28
CN(C(=O)C1CC1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000498905	0	42	-2.0	-103.78	380.41	7.27	-96.51
CN(C(=O)C1CC1)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000498906	0	43	-2.0	-116.99	384.66	4.91	-112.08
CN(C(=O)C1CC1)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000498906	1	43	-2.0	-117.35	383.79	5.71	-111.64
CN(C(=O)C1CC1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000498907	1	45	-2.0	-104.87	396.15	7.98	-96.89
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N(C)C(=O)C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000498910	1	46	-2.0	-115.85	402.97	7.41	-108.44
CN(C(=O)C1CC1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000498912	0	42	-2.0	-121.93	378.61	7.22	-114.71
CN(C(=O)C1CC1)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000498913	0	41	-2.0	-110.94	371.15	5.31	-105.63
CN(C(=O)C1CC1)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000498914	0	39	-2.0	-104.16	375.09	6.18	-97.98
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N(C)C(=O)C3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000498915	0	45	-2.0	-110.29	397.07	7.19	-103.10
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1	REAL300000498916	0	45	-2.0	-90.61	390.99	3.97	-86.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=CC=C1F	REAL300000498917	0	38	-2.0	-106.97	339.08	5.41	-101.56
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCC2)N=C1	REAL300000498918	0	46	-2.0	-108.43	394.16	6.47	-101.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1	REAL300000498919	0	38	-2.0	-96.93	334.53	5.38	-91.55
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498920	0	38	-2.0	-109.54	334.55	5.37	-104.17
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCC2)N=C1	REAL300000498921	0	42	-2.0	-115.45	362.70	5.18	-110.27
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1	REAL300000498922	0	42	-2.0	-96.58	365.98	6.67	-89.91
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000498923	0	41	-2.0	-110.42	350.56	5.90	-104.52
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498924	0	38	-2.0	-105.58	347.61	5.94	-99.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=CC=C1Cl	REAL300000498925	0	38	-2.0	-105.35	347.05	5.76	-99.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1C	REAL300000498926	0	44	-2.0	-112.85	366.96	6.69	-106.16
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498927	0	38	-2.0	-106.89	340.02	5.43	-101.46
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1	REAL300000498928	0	44	-2.0	-95.87	378.10	6.96	-88.91
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498929	0	35	-2.0	-103.69	327.72	4.40	-99.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCC2)N=C1	REAL300000498930	0	41	-2.0	-110.89	349.97	6.16	-104.73
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1	REAL300000498931	0	42	-2.0	-95.24	365.60	5.65	-89.59
CN1C=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000498932	0	39	-2.0	-108.00	341.19	4.73	-103.27
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCC2)N=C1	REAL300000498933	0	42	-2.0	-111.32	358.75	4.19	-107.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498934	0	38	-2.0	-99.56	343.67	5.05	-94.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000498935	0	44	-2.0	-112.43	365.63	6.72	-105.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=CS1	REAL300000498936	0	35	-2.0	-105.16	326.20	4.41	-100.75
COC1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000498937	0	46	-2.0	-109.57	392.85	5.19	-104.38
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000498938	0	42	-2.0	-115.43	361.83	5.45	-109.98
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498939	0	48	-2.0	-114.90	389.80	8.01	-106.89
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCC2)N=C1	REAL300000498940	0	47	-2.0	-113.07	388.44	7.38	-105.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCC2)N=C1	REAL300000498941	0	44	-2.0	-109.33	364.69	7.08	-102.25
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCC2)N=C1	REAL300000498942	0	45	-2.0	-115.53	384.99	5.95	-109.58
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498943	0	40	-3.0	-183.86	362.96	5.94	-177.92
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498944	0	45	-2.0	-115.14	378.80	7.27	-107.87
CC1=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000498945	0	38	-2.0	-103.65	337.55	4.52	-99.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=CC2=C1OCCO2	REAL300000498946	0	44	-2.0	-114.33	376.71	5.15	-109.18
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498947	0	42	-2.0	-110.26	363.53	4.47	-105.79
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN(C4CCCC4)N=C3)C=C2C1	REAL300000498948	0	46	-2.0	-96.54	388.17	5.99	-90.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C(Cl)C=C1F	REAL300000498949	0	38	-2.0	-102.18	352.13	5.96	-96.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1Cl	REAL300000498950	0	42	-2.0	-93.76	381.64	6.19	-87.57
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=CC=C1OCC(=O)[O-]	REAL300000498951	0	45	-2.0	-95.77	385.70	6.36	-89.41
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCC2)N=C1	REAL300000498952	0	41	-2.0	-101.35	355.27	6.20	-95.15
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1F	REAL300000498953	0	42	-2.0	-94.75	371.84	5.72	-89.03
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000498954	0	45	-2.0	-115.74	383.68	6.35	-109.39
CC1=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C(C(=O)[O-])S1	REAL300000498955	0	38	-2.0	-107.06	344.26	5.26	-101.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C(Cl)=C1	REAL300000498956	0	38	-2.0	-94.52	347.59	5.94	-88.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1F	REAL300000498957	0	38	-2.0	-96.35	339.06	5.42	-90.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)S1	REAL300000498958	0	35	-2.0	-98.42	326.81	4.50	-93.92
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498959	0	38	-2.0	-100.33	340.94	5.43	-94.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1F	REAL300000498960	0	41	-2.0	-108.32	360.30	6.07	-102.25
COC1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000498961	0	42	-2.0	-99.12	374.85	6.02	-93.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C(F)=C1	REAL300000498962	0	38	-2.0	-96.09	340.00	5.45	-90.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1Cl	REAL300000498963	0	38	-2.0	-94.44	347.04	5.78	-88.66
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCC2)N=C1	REAL300000498964	0	41	-2.0	-103.09	364.00	6.58	-96.51
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1	REAL300000498965	0	46	-2.0	-93.35	398.29	6.78	-86.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=CC(F)=C1F	REAL300000498966	0	38	-2.0	-98.24	345.35	5.47	-92.77
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498967	0	40	-2.0	-94.37	362.72	6.04	-88.33
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498968	0	39	-2.0	-109.94	344.27	3.10	-106.84
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1	REAL300000498969	0	41	-2.0	-100.74	356.70	6.15	-94.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=CC(Cl)=C1F	REAL300000498970	0	38	-2.0	-99.76	355.24	5.91	-93.85
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2CCCC2)N=C1	REAL300000498971	0	41	-2.0	-105.14	344.61	6.00	-99.14
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000498972	0	41	-2.0	-108.34	359.38	6.03	-102.31
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CCCC2)N=C1	REAL300000498973	0	41	-2.0	-97.26	349.97	6.15	-91.11
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000498974	0	44	-2.0	-113.98	372.04	6.57	-107.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=CC=C1[N+](=O)[O-]	REAL300000498975	0	40	-2.0	-107.34	361.12	6.47	-100.87
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498976	0	38	-2.0	-98.40	346.29	5.49	-92.91
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000498977	0	44	-2.0	-109.36	369.02	6.75	-102.61
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000498978	0	41	-2.0	-108.11	356.01	5.98	-102.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1Cl	REAL300000498979	0	41	-2.0	-107.34	366.30	6.52	-100.82
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498980	0	41	-2.0	-113.58	359.55	6.07	-107.51
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000498981	0	44	-2.0	-111.14	368.51	6.55	-104.59
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1CC(=O)[O-]	REAL300000498982	0	45	-2.0	-111.24	385.01	5.50	-105.74
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C2CCCC2)N=C1	REAL300000498983	0	41	-2.0	-98.40	361.33	6.51	-91.89
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000498984	0	41	-2.0	-106.93	365.76	6.34	-100.59
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000498985	0	42	-2.0	-109.28	362.56	5.60	-103.68
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C(C)=C1CC(=O)[O-]	REAL300000498986	0	50	-2.0	-109.24	399.69	8.25	-100.99
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000498987	0	41	-2.0	-103.76	368.27	6.44	-97.32
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C(C(=O)[O-])S1	REAL300000498988	0	47	-2.0	-107.12	384.01	7.50	-99.62
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000498989	0	42	-2.0	-111.12	374.86	6.02	-105.10
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000498990	0	41	-2.0	-97.04	350.55	5.92	-91.12
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C([N+](=O)[O-])=C1	REAL300000498991	0	43	-2.0	-101.48	377.81	7.57	-93.91
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCC2)N=C1	REAL300000498992	0	41	-2.0	-108.27	354.49	6.18	-102.09
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1[N+](=O)[O-]	REAL300000498993	0	40	-2.0	-115.75	358.30	7.23	-108.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1F	REAL300000498994	0	38	-2.0	-112.75	338.22	5.40	-107.35
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000498995	0	41	-2.0	-101.87	359.47	6.05	-95.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=CC2=CC=CC=C21	REAL300000498996	0	44	-2.0	-117.44	375.58	7.51	-109.93
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C1	REAL300000498997	0	37	-2.0	-107.00	330.78	3.50	-103.50
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CCCC2)N=C1	REAL300000498998	0	42	-2.0	-101.33	362.76	5.18	-96.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)=C(Cl)O1	REAL300000498999	0	35	-2.0	-97.39	334.71	4.34	-93.05
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(C4CCCC4)N=C3)C=C2)CC1	REAL300000499000	0	45	-2.0	-103.77	380.66	7.26	-96.51
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(C4CCCC4)N=C3)C=C2C1	REAL300000499001	0	45	-2.0	-106.52	379.98	7.26	-99.26
CCC1=C(S(=O)(=O)[N-]C2=CN(C3CCCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000499002	0	41	-2.0	-103.66	356.67	5.37	-98.29
CNC(=O)C1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000499026	0	41	-2.0	-121.09	375.13	5.36	-115.73
CNC(=O)C1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000499045	0	39	-2.0	-133.90	347.70	3.27	-130.63
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000499075	1	34	-2.0	-109.56	333.95	6.02	-103.54
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000499076	1	34	-2.0	-98.24	329.41	6.00	-92.24
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000499077	1	34	-2.0	-109.21	329.41	5.99	-103.22
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000499078	1	38	-2.0	-97.32	360.87	7.29	-90.03
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000499079	1	37	-2.0	-113.25	345.43	6.52	-106.73
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000499080	1	40	-2.0	-110.94	361.81	7.30	-103.64
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000499081	0	34	-2.0	-106.54	334.89	6.04	-100.50
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000499082	1	40	-2.0	-96.69	372.97	7.57	-89.12
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000499083	0	31	-2.0	-103.97	322.59	5.02	-98.95
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000499084	1	37	-2.0	-109.08	344.84	6.76	-102.32
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000499085	1	35	-2.0	-107.93	336.06	5.35	-102.58
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000499086	0	34	-2.0	-101.80	338.54	5.68	-96.12
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000499087	1	40	-2.0	-110.26	360.87	7.30	-102.96
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000499088	1	31	-2.0	-105.27	321.06	5.02	-100.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC(F)=C1C(=O)OC	REAL300000499089	1	40	-2.0	-106.90	358.96	7.69	-99.21
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000499090	0	34	-2.0	-102.99	332.42	5.14	-97.85
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000499091	1	34	-2.0	-105.82	338.01	5.89	-99.93
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000499092	1	34	-2.0	-97.55	333.92	6.03	-91.52
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000499093	0	31	-2.0	-100.46	321.68	5.12	-95.34
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000499094	1	34	-2.0	-102.70	335.81	6.06	-96.64
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000499095	0	34	-2.0	-98.20	334.87	6.06	-92.14
COC(=O)C1=C(F)C=CC(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000499096	0	35	-2.0	-106.90	330.48	3.79	-103.11
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000499096	1	35	-2.0	-107.55	339.12	3.70	-103.85
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000499097	1	37	-2.0	-101.40	351.58	6.77	-94.63
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000499098	1	37	-2.0	-108.91	339.45	6.63	-102.28
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000499099	1	37	-2.0	-97.88	344.82	6.75	-91.13
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000499100	1	40	-2.0	-112.32	362.28	7.05	-105.27
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000499101	1	40	-2.0	-113.07	363.89	7.37	-105.70
CCC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(F)=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000499102	1	40	-2.0	-111.04	363.35	7.18	-103.86
CCN1C=C(S(=O)(=O)[N-]C2=C(F)C=CC(F)=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000499103	1	38	-2.0	-109.17	357.44	6.22	-102.95
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000499104	1	37	-2.0	-98.54	345.41	6.54	-92.00
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000499105	0	34	-2.0	-117.40	333.07	6.02	-111.38
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000499106	0	33	-2.0	-106.56	326.39	4.06	-102.50
COC(=O)C1=C(F)C=CC(F)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000499107	0	31	-2.0	-97.83	329.56	4.97	-92.86
CCC1=C(S(=O)(=O)[N-]C2=C(F)C=CC(F)=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000499108	0	37	-2.0	-102.40	351.54	5.99	-96.41
N#CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(F)(F)F	REAL300000499118	0	28	-2.0	-99.47	288.94	3.54	-95.93
N#CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(F)(F)F	REAL300000499120	0	25	-2.0	-97.88	276.65	2.51	-95.37
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C(CC#N)C(F)(F)F)=C1	REAL300000499125	1	28	-2.0	-93.64	292.62	3.16	-90.48
N#CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C(F)(F)F	REAL300000499134	0	31	-2.0	-118.44	317.04	4.27	-114.17
CC1=C(S(=O)(=O)[N-]C(CC#N)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300000499136	1	28	-2.0	-95.27	286.48	2.63	-92.64
N#CCC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(F)(F)F	REAL300000499140	1	28	-2.0	-90.57	311.15	4.33	-86.24
N#CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(F)(F)F	REAL300000499149	0	28	-2.0	-93.11	311.69	4.52	-88.59
N#CCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(F)(F)F	REAL300000499150	1	28	-2.0	-88.03	296.52	4.07	-83.96
N#CCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(F)(F)F	REAL300000499152	1	25	-2.0	-92.32	275.74	2.61	-89.71
N#CCC([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(F)(F)F	REAL300000499153	1	28	-2.0	-94.54	289.87	3.54	-91.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C(CC#N)C(F)(F)F)=C1F	REAL300000499154	0	31	-2.0	-100.85	309.22	4.18	-96.67
COC1=CC(S(=O)(=O)[N-]C(CC#N)C(F)(F)F)=C(Cl)C=C1C(=O)[O-]	REAL300000499155	1	32	-2.0	-92.83	323.78	4.13	-88.70
N#CCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(F)(F)F	REAL300000499156	0	28	-2.0	-88.84	288.93	3.56	-85.28
N#CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(F)(F)F	REAL300000499160	1	30	-2.0	-86.57	311.67	4.15	-82.42
N#CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(F)(F)F	REAL300000499161	0	29	-2.0	-108.03	295.40	1.91	-106.12
N#CCC([N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(F)(F)F	REAL300000499163	1	28	-2.0	-91.71	304.18	4.01	-87.70
N#CCC([N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C(F)(F)F	REAL300000499168	1	30	-2.0	-98.86	310.05	4.57	-94.29
N#CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(F)(F)F	REAL300000499169	0	28	-2.0	-91.50	295.22	3.60	-87.90
CC1=CC(F)=C(S(=O)(=O)[N-]C(CC#N)C(F)(F)F)C=C1C(=O)[O-]	REAL300000499171	0	31	-2.0	-100.40	304.95	4.09	-96.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C(CC#N)C(F)(F)F)=C1Cl	REAL300000499172	1	31	-2.0	-100.77	315.26	4.63	-96.14
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C(CC#N)C(F)(F)F)=C1	REAL300000499173	0	31	-2.0	-103.51	308.53	4.16	-99.35
N#CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F)C(F)(F)F	REAL300000499181	0	28	-2.0	-90.95	309.05	4.04	-86.91
COC1=CC(Cl)=C(S(=O)(=O)[N-]C(CC#N)C(F)(F)F)C=C1C(=O)[O-]	REAL300000499183	1	32	-2.0	-104.85	323.79	4.14	-100.71
N#CCC([N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-])C(F)(F)F	REAL300000499185	0	33	-2.0	-93.94	324.17	5.85	-88.09
N#CCC([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(F)(F)F	REAL300000499187	0	30	-2.0	-104.71	307.20	5.32	-99.39
N#CCC([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(F)(F)F	REAL300000499188	0	28	-2.0	-102.61	287.13	3.51	-99.10
N#CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(F)(F)F	REAL300000499191	0	27	-2.0	-98.24	280.45	1.55	-96.69
N#CCC([N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(F)(F)F	REAL300000499193	0	25	-2.0	-90.28	283.62	2.46	-87.82
CCC1=C(S(=O)(=O)[N-]C(CC#N)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300000499196	1	31	-2.0	-94.60	305.59	3.58	-91.02
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000499197	0	34	-2.0	-106.06	321.26	4.91	-101.15
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000499198	0	34	-2.0	-90.39	316.00	4.86	-85.53
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000499199	0	34	-2.0	-108.50	316.73	4.87	-103.63
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)=O)=CC(F)=C1O	REAL300000499200	0	38	-2.0	-106.90	344.16	4.54	-102.36
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000499201	0	38	-2.0	-96.56	349.70	6.25	-90.31
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000499202	0	37	-2.0	-111.81	332.75	5.41	-106.40
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000499203	0	34	-2.0	-103.90	329.80	5.42	-98.48
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000499204	0	34	-2.0	-96.80	328.52	5.25	-91.55
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000499205	0	40	-2.0	-110.59	349.84	6.15	-104.44
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000499206	0	34	-2.0	-105.81	322.21	4.93	-100.88
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000499207	0	40	-2.0	-95.62	360.30	6.46	-89.16
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000499208	0	31	-2.0	-103.54	311.41	4.00	-99.54
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000499209	0	37	-2.0	-102.72	331.45	5.59	-97.13
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000499210	0	38	-2.0	-95.30	347.81	5.15	-90.15
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000499211	0	35	-2.0	-107.29	323.38	4.26	-103.03
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000499212	0	38	-2.0	-103.34	340.21	3.63	-99.71
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000499213	0	34	-2.0	-93.25	325.12	4.57	-88.68
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000499214	0	40	-2.0	-110.00	349.68	6.22	-103.78
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000499215	0	31	-2.0	-96.95	307.66	3.90	-93.05
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000499216	0	38	-2.0	-114.29	344.02	4.94	-109.35
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000499217	0	43	-2.0	-110.88	370.63	6.86	-104.02
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)=O)=CC(F)=C1O	REAL300000499218	0	40	-2.0	-107.12	348.36	6.63	-100.49
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)=O)=CC(F)=C1O	REAL300000499219	0	41	-2.0	-114.57	367.16	5.32	-109.25
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000499220	0	36	-3.0	-186.31	346.63	5.51	-180.80
CC(=O)C1=CC(F)=C(O)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000499220	1	37	-2.0	-111.45	352.21	3.21	-108.24
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000499221	0	41	-2.0	-106.71	360.25	6.75	-99.96
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000499222	0	34	-2.0	-102.86	319.74	4.02	-98.84
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000499223	0	38	-2.0	-103.51	344.98	3.83	-99.68
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000499224	0	41	-2.0	-96.00	369.38	5.94	-90.06
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000499225	0	37	-2.0	-99.91	337.45	5.64	-94.27
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000499226	0	41	-2.0	-117.21	365.88	5.85	-111.36
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000499227	0	34	-2.0	-99.65	324.63	4.74	-94.91
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000499228	0	34	-2.0	-95.26	331.28	5.49	-89.77
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000499229	0	34	-2.0	-97.26	321.26	4.92	-92.34
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000499230	0	31	-2.0	-99.65	310.48	4.10	-95.55
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000499231	0	34	-2.0	-93.99	322.43	4.92	-89.07
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000499232	0	37	-2.0	-107.25	342.47	5.56	-101.69
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000499233	0	34	-2.0	-97.45	323.69	5.03	-92.42
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000499234	0	34	-2.0	-88.16	328.51	5.26	-82.90
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000499235	0	34	-2.0	-98.12	327.55	4.97	-93.15
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000499236	0	36	-2.0	-94.44	346.42	5.63	-88.81
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000499237	0	35	-2.0	-107.68	326.45	2.46	-105.22
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000499238	0	37	-2.0	-100.41	340.40	5.73	-94.68
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000499239	0	37	-2.0	-98.19	326.11	5.46	-92.73
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000499240	0	37	-2.0	-102.17	340.86	5.51	-96.66
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000499241	0	37	-2.0	-97.55	333.64	5.69	-91.86
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000499242	0	40	-2.0	-113.76	349.61	5.94	-107.82
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000499243	0	36	-2.0	-109.25	343.31	5.97	-103.28
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000499244	0	34	-2.0	-98.13	329.96	5.07	-93.06
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000499245	0	40	-2.0	-111.56	350.26	6.26	-105.30
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000499246	0	37	-2.0	-99.77	337.54	5.45	-94.32
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000499247	0	37	-2.0	-116.21	341.75	5.56	-110.65
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000499248	0	40	-2.0	-112.59	352.52	6.13	-106.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC(F)=C2O)C=C1CC(=O)[O-]	REAL300000499249	0	41	-2.0	-102.26	366.49	4.98	-97.28
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000499250	0	38	-2.0	-100.69	344.03	5.10	-95.59
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000499251	0	37	-2.0	-99.27	338.30	5.59	-93.68
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000499252	0	37	-2.0	-100.67	335.96	5.62	-95.05
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000499253	0	36	-2.0	-118.52	340.48	6.58	-111.94
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000499254	0	34	-2.0	-115.41	321.86	4.97	-110.44
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000499255	0	37	-2.0	-101.64	341.69	5.54	-96.10
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000499256	0	33	-2.0	-108.05	314.44	3.09	-104.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(C)=O)=CC(F)=C1O	REAL300000499257	0	38	-2.0	-101.70	344.93	4.55	-97.15
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000499258	0	31	-2.0	-97.34	318.33	3.95	-93.39
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000499259	0	41	-2.0	-103.09	364.35	6.83	-96.26
CC(=O)C1=CC(F)=C(O)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000499260	0	41	-2.0	-107.62	362.31	6.82	-100.80
CCC1=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC(F)=C2O)C=C(C(=O)[O-])O1	REAL300000499261	0	37	-2.0	-96.81	338.14	4.86	-91.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(NC(=O)C3CC3)=C2)C=C1	REAL300000499262	1	39	-2.0	-100.89	366.65	6.11	-94.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(NC(=O)C3CC3)=C2)=C1	REAL300000499263	1	39	-2.0	-112.68	366.66	6.10	-106.58
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(NC(=O)C3CC3)=C2)C=C1C(=O)[O-]	REAL300000499264	0	40	-2.0	-111.31	373.31	5.45	-105.86
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(NC(=O)C3CC3)=C2)C=C(C(=O)[O-])O1	REAL300000499265	0	39	-2.0	-105.82	369.67	5.23	-100.59
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C(NC(=O)C3CC3)=C2)=C1	REAL300000499266	0	38	-2.0	-110.73	362.88	4.23	-106.50
CC1=CC=CC=C1CN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=NC=C[N-]1	REAL300000499305	0	41	-2.0	-101.76	353.44	7.13	-94.63
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000499325	0	41	-2.0	-96.32	371.09	5.75	-90.57
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000499331	0	41	-2.0	-100.84	370.59	6.62	-94.22
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000499335	0	41	-2.0	-105.19	356.57	7.52	-97.67
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000499340	0	41	-2.0	-100.16	366.06	6.60	-93.56
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000499358	0	44	-2.0	-124.08	385.77	7.23	-116.85
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000499380	0	41	-2.0	-101.23	358.41	7.76	-93.47
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000499386	0	38	-2.0	-99.08	362.86	6.89	-92.19
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000499389	0	44	-2.0	-101.90	374.37	8.35	-93.55
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000499408	0	42	-2.0	-119.19	365.38	5.99	-113.20
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000499423	0	41	-2.0	-109.58	366.19	7.29	-102.29
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000499435	0	38	-2.0	-118.52	347.69	6.57	-111.95
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C)=CC=C1[O-]	REAL300000499440	1	42	-2.0	-111.15	352.01	6.56	-104.59
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000499445	0	41	-2.0	-108.98	366.59	6.61	-102.37
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000499481	0	41	-2.0	-109.81	371.76	7.45	-102.36
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000499510	0	41	-2.0	-107.87	370.54	6.64	-101.23
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000499512	0	38	-2.0	-108.48	349.32	6.73	-101.75
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000499514	0	41	-2.0	-96.13	376.13	7.93	-88.20
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000499516	0	41	-2.0	-102.15	358.40	7.77	-94.38
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000499528	0	41	-3.0	-178.42	359.00	6.50	-171.92
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000499528	1	42	-2.0	-104.19	361.03	5.74	-98.45
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000499530	0	44	-2.0	-105.09	378.76	8.29	-96.80
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000499542	0	44	-2.0	-113.04	369.31	8.17	-104.87
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000499544	0	44	-2.0	-100.89	374.32	8.34	-92.55
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(OC)=CC=C1[O-]	REAL300000499563	1	43	-2.0	-109.80	360.09	5.20	-104.60
CCN1C=C(S(=O)(=O)N(CCOC)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000499579	0	45	-2.0	-102.10	386.67	6.86	-95.24
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300000499618	1	41	-2.0	-97.90	382.87	3.67	-94.23
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000499643	0	44	-2.0	-105.64	372.67	8.07	-97.57
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=NC=C[N-]1	REAL300000499670	0	35	-2.0	-98.92	319.34	3.41	-95.51
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000499688	0	41	-2.0	-121.53	356.58	7.73	-113.80
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000499736	0	40	-2.0	-112.09	365.89	5.99	-106.10
COCCN(C1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000499746	0	39	-2.0	-103.68	337.00	5.96	-97.72
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CCOC)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000499840	1	44	-2.0	-99.94	397.89	4.98	-94.96
CCOC(=O)C1=CC(S(=O)(=O)N(CCOC)C2=CC=C(C(=O)[O-])C=C2)=N[N-]1	REAL300000499840	1	44	-2.0	-99.87	397.99	4.98	-94.89
CCC1=C(S(=O)(=O)N(CCOC)C2=CC=C(C(=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300000499872	0	44	-2.0	-108.86	386.64	7.41	-101.45
O=C([O-])C1=CC=C(N(CCC2=CSC=C2)S(=O)(=O)C2=NC=C[N-]2)C=C1	REAL300000499913	0	38	-2.0	-94.86	360.57	6.17	-88.69
O=C([O-])C1=CC=C(N(CCC2=CC=CS2)S(=O)(=O)C2=NC=C[N-]2)C=C1	REAL300000499961	0	38	-2.0	-95.64	360.82	6.33	-89.31
O=C([O-])C1=CC=C(N(CC2=CSC=C2)S(=O)(=O)C2=NC=C[N-]2)C=C1	REAL300000500028	0	35	-2.0	-94.64	336.18	5.49	-89.15
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=C(F)C=C3)C=C2)=C1	REAL300000500056	0	36	-2.0	-99.70	353.98	6.93	-92.77
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=C(F)C=C3)C=C2)C=C1C(=O)[O-]	REAL300000500057	1	40	-2.0	-103.73	367.44	7.26	-96.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=C(F)C=C3)C=C2)=CS1	REAL300000500058	1	36	-2.0	-100.99	352.45	6.94	-94.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=C(F)C=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000500059	0	39	-2.0	-97.71	363.85	7.05	-90.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=C(F)C=C3)C=C2)S1	REAL300000500060	0	36	-2.0	-92.93	353.07	7.03	-85.90
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=C(F)C=C3)C=C2)=C1	REAL300000500061	0	38	-2.0	-102.88	357.01	6.03	-96.85
CN1C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2N(C)C1=O	REAL300000500062	1	40	-2.0	-88.24	355.80	5.25	-82.99
CN1C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2N(C)C1=O	REAL300000500063	1	40	-2.0	-99.58	356.18	5.24	-94.34
CN1C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2N(C)C1=O	REAL300000500064	0	37	-2.0	-94.23	349.36	4.26	-89.97
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C(=O)N(C)C3=C2)C=C1C(=O)[O-]	REAL300000500065	0	41	-2.0	-98.01	362.82	4.60	-93.41
CN1C(=O)C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2N(C)C1=O	REAL300000500066	0	37	-2.0	-95.66	347.83	4.29	-91.37
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C(=O)N(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000500067	0	40	-2.0	-94.71	359.19	4.39	-90.32
CN1C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2N(C)C1=O	REAL300000500068	0	37	-2.0	-89.62	348.45	4.37	-85.25
CN1C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2N(C)C1=O	REAL300000500069	0	39	-2.0	-97.20	353.16	3.30	-93.90
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000500070	1	36	-2.0	-100.17	340.83	5.28	-94.89
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300000500071	1	36	-2.0	-90.43	336.28	5.26	-85.17
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000500072	1	36	-2.0	-102.55	336.29	5.25	-97.30
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(N(C)C)=C1	REAL300000500073	0	40	-2.0	-107.96	364.43	5.04	-102.92
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000500074	1	40	-2.0	-90.18	367.75	6.54	-83.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)C=C1C(=O)[O-]	REAL300000500075	1	39	-2.0	-104.98	356.36	5.89	-99.09
CN(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1Cl	REAL300000500076	0	36	-2.0	-98.23	349.36	5.82	-92.41
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000500077	1	36	-2.0	-98.47	348.81	5.64	-92.83
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)=C1C	REAL300000500078	1	42	-2.0	-105.59	368.97	6.60	-98.99
CN(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1Cl	REAL300000500079	0	36	-2.0	-99.69	341.77	5.31	-94.38
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000500080	1	42	-2.0	-89.48	379.87	6.84	-82.64
CN(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000500081	0	33	-2.0	-96.89	329.47	4.26	-92.63
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(N(C)C)=C1	REAL300000500082	1	39	-2.0	-103.52	351.72	6.03	-97.49
CN(C)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000500084	0	37	-2.0	-101.06	342.94	4.59	-96.47
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)=C1	REAL300000500086	0	36	-2.0	-93.17	345.41	4.92	-88.25
CN(C)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000500088	0	33	-2.0	-98.32	327.94	4.28	-94.04
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(N(C)C)=C1	REAL300000500090	1	45	-2.0	-105.73	390.19	7.26	-98.47
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(N(C)C)=C1	REAL300000500091	1	42	-2.0	-101.98	366.44	6.96	-95.02
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(N(C)C)=C1	REAL300000500092	0	43	-2.0	-108.40	386.72	5.80	-102.60
CN(C)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000500093	0	39	-2.0	-106.87	367.17	5.82	-101.05
CN(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000500093	1	38	-3.0	-176.90	364.70	5.81	-171.09
CN(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1Cl	REAL300000500094	1	43	-2.0	-107.65	380.56	7.14	-100.51
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000500095	0	36	-2.0	-96.73	339.30	4.38	-92.35
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)=C1	REAL300000500096	0	40	-2.0	-103.59	365.27	4.33	-99.26
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(N(C)C)=C1	REAL300000500098	1	39	-2.0	-94.21	357.00	6.06	-88.15
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000500100	1	36	-2.0	-100.03	344.89	5.15	-94.88
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1Cl	REAL300000500101	0	36	-2.0	-88.16	349.34	5.81	-82.35
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000500102	1	36	-2.0	-89.99	340.82	5.29	-84.70
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000500103	0	33	-2.0	-92.00	328.56	4.38	-87.62
CN(C)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000500104	1	36	-2.0	-93.51	342.70	5.31	-88.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)=C1F	REAL300000500105	0	39	-2.0	-101.13	362.06	5.95	-95.18
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1Cl	REAL300000500106	0	36	-2.0	-89.73	341.75	5.32	-84.41
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1Cl	REAL300000500107	1	36	-2.0	-88.01	348.79	5.65	-82.36
CN(C)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000500108	1	36	-2.0	-91.83	347.11	5.34	-86.49
CN(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1Cl	REAL300000500109	0	38	-2.0	-87.84	364.48	5.92	-81.92
CN(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Cl	REAL300000500110	0	37	-2.0	-102.42	346.00	2.96	-99.46
CN(C)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Cl	REAL300000500110	1	37	-2.0	-100.36	334.99	3.85	-96.51
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000500111	1	39	-2.0	-94.53	358.47	6.03	-88.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(N(C)C)=C1	REAL300000500112	1	39	-2.0	-98.77	346.36	5.89	-92.88
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000500113	1	39	-2.0	-101.44	361.14	5.90	-95.54
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)=CC(C(=O)[O-])=C1C	REAL300000500115	1	42	-2.0	-105.49	369.18	6.32	-99.17
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000500116	0	38	-2.0	-101.18	362.85	6.34	-94.84
CN(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1Cl	REAL300000500117	0	36	-2.0	-91.46	348.05	5.37	-86.09
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)C=C1C(=O)[O-]	REAL300000500119	0	39	-2.0	-101.99	361.61	5.94	-96.05
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)=C1	REAL300000500120	0	39	-2.0	-107.28	361.33	5.94	-101.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)C=C1C(=O)[O-]	REAL300000500121	1	42	-2.0	-104.33	370.53	6.43	-97.90
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)C=C1C(=O)[O-]	REAL300000500123	0	40	-2.0	-102.28	364.31	5.46	-96.82
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000500124	1	39	-2.0	-90.48	352.30	5.79	-84.69
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1Cl	REAL300000500126	0	38	-2.0	-109.66	360.02	7.09	-102.57
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000500127	0	36	-2.0	-106.55	339.95	5.28	-101.27
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)C=C1C(=O)[O-]	REAL300000500128	1	39	-2.0	-95.24	361.23	5.93	-89.31
CN(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000500129	0	35	-2.0	-100.15	332.51	3.37	-96.78
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(N(C)C)=C1	REAL300000500130	0	40	-2.0	-94.63	364.49	5.04	-89.59
CN(C)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000500131	0	33	-2.0	-90.59	336.44	4.22	-86.37
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1Cl	REAL300000500132	1	43	-2.0	-96.95	382.41	7.14	-89.81
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1Cl	REAL300000500133	1	43	-2.0	-100.22	381.73	7.14	-93.08
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(N(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000500134	0	39	-2.0	-96.66	358.42	5.23	-91.43
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1)SC(=O)N2C	REAL300000500135	1	37	-2.0	-103.51	350.82	5.80	-97.71
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)SC(=O)N2C	REAL300000500136	1	37	-2.0	-93.81	346.29	5.78	-88.03
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)SC(=O)N2C	REAL300000500137	1	37	-2.0	-105.91	346.29	5.77	-100.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)N(C)C(=O)S3)C=C1C(=O)[O-]	REAL300000500138	1	40	-2.0	-106.93	362.31	6.30	-100.63
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)SC(=O)N2C	REAL300000500139	0	37	-2.0	-104.11	351.77	5.82	-98.29
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)SC(=O)N2C	REAL300000500140	0	34	-2.0	-100.50	339.48	4.79	-95.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C)N(C)C(=O)S2	REAL300000500141	1	40	-2.0	-108.34	361.73	6.55	-101.79
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)SC(=O)N2C	REAL300000500142	0	38	-2.0	-104.27	352.94	5.12	-99.15
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2C)N(C)C(=O)S3)=C1	REAL300000500143	0	37	-2.0	-96.62	355.41	5.45	-91.17
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)SC(=O)N2C	REAL300000500144	0	34	-2.0	-101.73	337.95	4.80	-96.93
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)N(C)C(=O)S3)C=C(C(=O)[O-])O1	REAL300000500145	0	37	-2.0	-101.13	349.29	4.91	-96.22
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)N(C)C(=O)S3)C=C(C(=O)[O-])S1	REAL300000500146	1	37	-2.0	-104.76	354.92	5.66	-99.10
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)SC(=O)N2C	REAL300000500147	1	37	-2.0	-93.42	350.82	5.81	-87.61
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)SC(=O)N2C	REAL300000500148	0	34	-2.0	-95.47	338.55	4.89	-90.58
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)SC(=O)N2C	REAL300000500149	1	37	-2.0	-96.93	352.70	5.83	-91.10
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)SC(=O)N2C	REAL300000500150	0	37	-2.0	-92.93	351.75	5.84	-87.09
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)SC(=O)N2C	REAL300000500151	0	38	-2.0	-107.77	356.01	3.47	-104.30
CC1=CC2=C(C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])SC(=O)N2C	REAL300000500151	1	38	-2.0	-118.13	350.08	3.80	-114.33
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)SC(=O)N2C	REAL300000500152	1	40	-2.0	-97.92	368.45	6.54	-91.38
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)SC(=O)N2C	REAL300000500153	1	40	-2.0	-101.06	356.33	6.40	-94.66
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)N(C)C(=O)S3)C=C1C(=O)[O-]	REAL300000500155	0	41	-2.0	-105.47	374.32	5.99	-99.48
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)SC(=O)N2C	REAL300000500156	1	40	-2.0	-93.91	362.30	6.31	-87.60
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)SC(=O)N2C	REAL300000500157	0	37	-2.0	-108.46	349.93	5.79	-102.67
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)SC(=O)N2C	REAL300000500158	0	36	-2.0	-103.49	342.49	3.89	-99.60
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)N(C)C(=O)S3)C=C(C(=O)[O-])O1	REAL300000500159	0	40	-2.0	-101.20	368.42	5.76	-95.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1Cl	REAL300000500160	1	38	-2.0	-87.60	357.58	4.70	-82.90
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(Cl)=C1	REAL300000500162	0	39	-2.0	-105.41	360.74	7.21	-98.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000500164	1	31	-2.0	-103.77	301.12	6.10	-97.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(Cl)=C1	REAL300000500165	0	35	-2.0	-112.30	329.26	5.91	-106.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1Cl	REAL300000500166	1	35	-2.0	-93.60	332.57	7.41	-86.19
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1Cl	REAL300000500168	0	31	-2.0	-99.16	314.19	6.68	-92.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000500169	1	31	-2.0	-99.65	313.62	6.50	-93.15
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=C1Cl	REAL300000500170	0	31	-2.0	-94.85	326.69	7.06	-87.79
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1Cl	REAL300000500171	1	37	-2.0	-110.01	333.80	7.46	-102.55
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000500172	0	31	-2.0	-100.79	306.60	6.17	-94.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300000500173	1	37	-2.0	-93.00	344.69	7.70	-85.30
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000500174	0	28	-2.0	-98.25	294.31	5.13	-93.12
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1Cl	REAL300000500175	1	34	-2.0	-104.37	316.55	6.90	-97.47
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000500177	1	32	-2.0	-102.24	307.76	5.47	-96.77
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(Cl)=C2)=C1	REAL300000500179	0	31	-2.0	-96.76	310.24	5.80	-90.96
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000500181	0	28	-2.0	-99.69	292.77	5.14	-94.55
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(Cl)=C2)=CC(C(=O)[O-])=C1OC	REAL300000500182	1	39	-2.0	-104.10	359.42	5.92	-98.18
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1Cl	REAL300000500184	1	41	-2.0	-111.78	356.37	8.73	-103.05
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1Cl	REAL300000500185	1	40	-2.0	-110.05	355.03	8.12	-101.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(Cl)=C1	REAL300000500186	1	37	-2.0	-102.75	331.26	7.83	-94.92
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(Cl)=C1	REAL300000500187	0	38	-2.0	-112.41	351.55	6.67	-105.74
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000500188	0	34	-2.0	-109.36	336.23	6.54	-102.82
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000500188	1	33	-3.0	-178.67	329.53	6.68	-171.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1Cl	REAL300000500189	1	38	-2.0	-112.00	345.38	8.02	-103.98
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000500190	0	31	-2.0	-97.71	304.13	5.25	-92.46
CC1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1Cl	REAL300000500191	1	37	-2.0	-108.57	343.28	5.88	-102.69
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C(Cl)=C2)=C1	REAL300000500192	0	35	-2.0	-107.19	330.10	5.20	-101.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000500194	1	31	-2.0	-93.46	328.79	6.96	-86.50
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1Cl	REAL300000500195	0	31	-2.0	-95.95	318.71	6.69	-89.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000500196	1	35	-2.0	-88.50	348.21	6.93	-81.57
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1Cl	REAL300000500198	1	34	-2.0	-98.24	321.83	6.93	-91.31
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1Cl	REAL300000500200	1	35	-2.0	-89.53	338.41	6.45	-83.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000500202	1	31	-2.0	-100.97	309.72	6.00	-94.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C1Cl	REAL300000500203	0	31	-2.0	-93.03	329.34	7.13	-85.90
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1Cl	REAL300000500204	0	31	-2.0	-89.20	314.17	6.67	-82.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000500205	1	31	-2.0	-91.18	305.64	6.15	-85.03
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000500206	0	28	-2.0	-93.20	293.39	5.24	-87.96
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000500207	1	31	-2.0	-94.73	307.52	6.18	-88.55
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1Cl	REAL300000500208	0	34	-2.0	-105.38	326.89	6.82	-98.56
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C(Cl)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000500209	0	35	-2.0	-93.89	341.43	6.73	-87.16
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000500210	0	31	-2.0	-90.99	306.58	6.18	-84.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000500211	1	31	-2.0	-89.16	313.61	6.51	-82.65
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1Cl	REAL300000500212	1	34	-2.0	-99.97	330.56	7.31	-92.66
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1Cl	REAL300000500213	1	39	-2.0	-88.07	364.86	7.52	-80.55
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000500214	1	31	-2.0	-93.03	311.94	6.20	-86.83
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1Cl	REAL300000500215	1	33	-2.0	-89.03	329.31	6.78	-82.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000500216	0	32	-2.0	-103.19	310.83	3.82	-99.37
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000500216	1	32	-2.0	-105.42	309.92	4.69	-100.73
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000500217	1	34	-2.0	-97.87	323.29	6.90	-90.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000500218	1	31	-2.0	-94.42	321.83	6.64	-87.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000500219	1	34	-2.0	-100.21	311.19	6.75	-93.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1Cl	REAL300000500223	0	33	-2.0	-102.32	327.68	7.19	-95.13
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1Cl	REAL300000500224	0	31	-2.0	-92.53	312.87	6.24	-86.29
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1Cl	REAL300000500226	0	34	-2.0	-106.24	326.44	6.81	-99.43
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1Cl	REAL300000500227	0	34	-2.0	-104.08	332.86	7.25	-96.83
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C(Cl)=C2)=C1	REAL300000500228	0	34	-2.0	-110.62	326.15	6.80	-103.82
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000500231	1	34	-2.0	-95.54	327.38	7.29	-88.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1Cl	REAL300000500232	1	34	-2.0	-88.20	331.23	6.93	-81.27
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000500233	1	34	-2.0	-101.41	332.36	7.07	-94.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000500234	1	35	-2.0	-103.51	329.14	6.33	-97.18
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=C1Cl	REAL300000500236	0	31	-2.0	-94.13	326.70	6.67	-87.46
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000500237	1	34	-2.0	-98.33	334.85	7.18	-91.15
CC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300000500238	1	40	-2.0	-100.71	350.58	8.24	-92.47
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000500239	1	35	-2.0	-104.68	341.44	6.74	-97.94
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1Cl	REAL300000500241	0	36	-2.0	-96.93	344.38	8.31	-88.62
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1Cl	REAL300000500243	0	33	-2.0	-111.25	324.84	7.96	-103.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000500244	0	31	-2.0	-108.13	304.73	6.14	-101.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000500245	1	34	-2.0	-96.51	326.05	6.79	-89.72
CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1Cl	REAL300000500246	1	37	-2.0	-111.99	342.16	8.23	-103.76
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000500247	0	30	-2.0	-104.07	298.11	4.17	-99.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C(Cl)=C1	REAL300000500248	0	35	-2.0	-98.14	329.32	5.91	-92.23
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000500249	0	28	-2.0	-91.71	301.26	5.10	-86.61
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1Cl	REAL300000500250	1	38	-2.0	-100.78	347.25	8.00	-92.78
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1Cl	REAL300000500251	1	38	-2.0	-101.92	346.56	8.00	-93.92
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000500252	0	34	-2.0	-97.57	323.25	6.10	-91.47
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C21	REAL300000500253	1	44	-2.0	-108.01	373.08	8.76	-99.25
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C21	REAL300000500255	1	44	-2.0	-110.94	368.55	8.72	-102.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(C)CC2(C)C	REAL300000500256	0	48	-2.0	-116.67	396.12	8.51	-108.16
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C21	REAL300000500257	1	48	-2.0	-96.78	399.44	10.01	-86.77
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C21	REAL300000500259	0	44	-2.0	-106.53	381.62	9.30	-97.23
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C21	REAL300000500260	1	44	-2.0	-106.53	381.05	9.12	-97.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(C)CC3(C)C)=C1C	REAL300000500261	1	50	-2.0	-113.88	401.66	10.06	-103.82
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C21	REAL300000500262	0	44	-2.0	-108.59	374.02	8.79	-99.80
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C21	REAL300000500263	1	50	-2.0	-96.21	411.56	10.30	-85.91
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C21	REAL300000500264	0	41	-2.0	-104.88	361.17	7.73	-97.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(C)CC2(C)C	REAL300000500265	1	47	-2.0	-111.64	382.92	9.50	-102.14
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C21	REAL300000500267	1	45	-2.0	-109.00	374.63	8.07	-100.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2C(C)CC3(C)C)=C1	REAL300000500269	0	44	-2.0	-100.79	377.10	8.40	-92.39
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C21	REAL300000500271	0	41	-2.0	-106.31	359.64	7.75	-98.56
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(C)CC2(C)C	REAL300000500273	1	50	-2.0	-109.78	396.87	10.37	-99.41
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C21	REAL300000500274	1	51	-2.0	-116.49	412.79	10.62	-105.87
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(C)CC3(C)C)C=C(C(=O)[O-])O1	REAL300000500275	0	44	-2.0	-104.60	371.56	7.87	-96.73
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2C(C)CC3(C)C)=C1	REAL300000500276	0	48	-2.0	-111.47	397.54	7.81	-103.66
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(C)CC2(C)C	REAL300000500277	1	47	-2.0	-102.13	389.28	9.55	-92.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(C)CC3(C)C)C=C(C(=O)[O-])S1	REAL300000500278	1	44	-2.0	-107.72	376.94	8.58	-99.14
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C21	REAL300000500279	0	44	-2.0	-95.04	381.60	9.29	-85.75
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C21	REAL300000500280	1	44	-2.0	-97.00	373.06	8.77	-88.23
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C21	REAL300000500281	0	41	-2.0	-99.63	360.80	7.85	-91.78
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C21	REAL300000500282	1	44	-2.0	-101.54	374.95	8.79	-92.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(C)CC3(C)C)=C1F	REAL300000500283	0	47	-2.0	-110.13	394.30	9.42	-100.71
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C21	REAL300000500284	0	44	-2.0	-97.32	374.01	8.80	-88.52
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C21	REAL300000500285	1	44	-2.0	-95.10	380.48	9.12	-85.98
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C21	REAL300000500286	1	44	-2.0	-99.21	378.81	8.81	-90.40
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C21	REAL300000500287	0	45	-2.0	-110.89	378.26	6.44	-104.45
CC1CC(C)(C)C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C21	REAL300000500287	1	45	-2.0	-108.31	370.65	7.30	-101.01
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C21	REAL300000500288	1	47	-2.0	-101.59	390.17	9.49	-92.10
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(C)CC2(C)C	REAL300000500289	1	47	-2.0	-106.46	378.63	9.36	-97.10
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(C)CC3(C)C)=CC(C(=O)[O-])=C1F	REAL300000500290	1	47	-2.0	-109.38	392.82	9.37	-100.01
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C21	REAL300000500293	0	44	-2.0	-99.95	380.28	8.85	-91.10
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(C)CC3(C)C)C=C1C(=O)[O-]	REAL300000500295	0	47	-2.0	-109.87	390.03	9.33	-100.54
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2C(C)CC3(C)C)=C1	REAL300000500296	0	47	-2.0	-115.79	393.57	9.42	-106.37
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(C)CC3(C)C)C=C1C(=O)[O-]	REAL300000500297	1	50	-2.0	-112.98	402.79	9.91	-103.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(C)CC3(C)C)C=C1C(=O)[O-]	REAL300000500298	1	48	-2.0	-110.46	396.58	8.94	-101.52
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C21	REAL300000500301	0	44	-2.0	-114.81	372.18	8.75	-106.06
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(C)CC3(C)C)C=C1C(=O)[O-]	REAL300000500302	1	47	-2.0	-102.52	389.72	9.30	-93.22
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C21	REAL300000500303	0	43	-2.0	-108.90	364.77	6.85	-102.05
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(C)CC2(C)C	REAL300000500304	0	48	-2.0	-101.93	396.18	8.51	-93.42
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C21	REAL300000500305	0	41	-2.0	-98.23	368.65	7.70	-90.53
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C21	REAL300000500306	1	51	-2.0	-104.54	414.67	10.61	-93.93
CC1CC(C)(C)C2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C21	REAL300000500307	1	51	-2.0	-107.84	413.99	10.62	-97.22
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(C)CC3(C)C)C=C(C(=O)[O-])O1	REAL300000500308	0	47	-2.0	-104.02	385.52	8.46	-95.56
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC(F)=C(F)C=C2O1	REAL300000500335	0	37	-2.0	-107.45	334.40	5.09	-102.36
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)=C1Br	REAL300000500349	1	33	-2.0	-90.87	317.46	5.01	-85.86
CC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)=C1Br	REAL300000500350	0	33	-2.0	-102.93	317.48	4.98	-97.95
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C)C(Br)=C2C)C=C1C(=O)[O-]	REAL300000500351	1	36	-2.0	-104.03	333.51	5.52	-98.51
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1Br	REAL300000500352	0	30	-2.0	-97.36	310.67	4.02	-93.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(Br)=C1C	REAL300000500353	0	36	-2.0	-104.57	332.92	5.79	-98.78
CC1=NC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=C1Br	REAL300000500354	0	34	-2.0	-101.37	324.13	4.36	-97.01
CC1=NC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1Br	REAL300000500355	0	30	-2.0	-98.82	309.13	4.03	-94.79
CC1=C(S(=O)(=O)[N-]C2=CN=C(C)C(Br)=C2C)C=C(C(=O)[O-])O1	REAL300000500356	0	33	-2.0	-97.51	320.50	4.15	-93.36
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1Br	REAL300000500357	0	30	-2.0	-92.43	309.75	4.12	-88.31
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)=C1Br	REAL300000500358	0	36	-2.0	-94.65	339.65	5.78	-88.87
CC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C)=C1Br	REAL300000500359	0	36	-2.0	-98.72	327.52	5.62	-93.10
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C)C(Br)=C1C	REAL300000500360	1	36	-2.0	-91.23	332.89	5.79	-85.44
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(Br)=C2C)=CC=C1C(=O)[O-]	REAL300000500361	1	36	-2.0	-90.87	333.49	5.56	-85.31
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1Br	REAL300000500362	0	32	-2.0	-100.72	314.47	3.06	-97.66
CC(C)C1=CC=C(N(CCCO)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000500379	0	48	-2.0	-110.01	407.30	5.27	-104.74
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=NC4=CC=CC=C43)C=C2)C=C1C(=O)[O-]	REAL300000500390	1	41	-2.0	-105.08	371.25	6.13	-98.95
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=NC4=CC=CC=C43)C=C2)C=C(C(=O)[O-])O1	REAL300000500391	0	40	-2.0	-101.50	367.62	5.92	-95.58
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3N=NC4=CC=CC=C43)C=C2)=C1	REAL300000500392	0	39	-2.0	-104.09	360.88	4.91	-99.18
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000500414	0	32	-2.0	-106.62	304.47	5.64	-100.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)=CC=C1F	REAL300000500427	0	41	-2.0	-117.12	378.72	3.31	-113.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)C=C1	REAL300000500428	0	41	-2.0	-107.46	374.18	3.29	-104.17
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)=C1	REAL300000500429	0	41	-2.0	-119.83	374.18	3.28	-116.55
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000500430	0	44	-2.0	-122.24	394.26	3.93	-118.31
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)=C1	REAL300000500431	0	41	-2.0	-117.27	379.67	3.34	-113.93
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)=C1	REAL300000500432	0	38	-2.0	-114.02	367.38	2.30	-111.72
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCN2CCNC2=O)C=C1	REAL300000500433	0	44	-2.0	-120.62	389.62	4.05	-116.57
CN1C=C(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000500434	0	42	-2.0	-118.24	380.82	2.63	-115.61
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)=C1	REAL300000500435	0	41	-2.0	-110.76	383.30	2.97	-107.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)=CS1	REAL300000500436	0	38	-2.0	-115.44	365.83	2.31	-113.13
CC1=C(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000500437	0	41	-2.0	-113.49	377.20	2.42	-111.07
CC1=C(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)C=C(C(=O)[O-])S1	REAL300000500438	0	41	-2.0	-117.02	382.81	3.17	-113.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)C=C1F	REAL300000500439	0	41	-2.0	-107.03	378.70	3.32	-103.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)S1	REAL300000500440	0	38	-2.0	-109.41	366.44	2.41	-107.00
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)=C1	REAL300000500441	0	41	-2.0	-111.59	380.59	3.34	-108.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)C(F)=C1	REAL300000500442	0	41	-2.0	-107.09	379.65	3.35	-103.74
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)=C1	REAL300000500443	0	42	-2.0	-119.53	383.90	1.01	-118.52
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)C=C1	REAL300000500444	0	44	-2.0	-111.09	396.35	4.06	-107.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CCN2CCNC2=O)C=C1	REAL300000500445	0	44	-2.0	-117.06	384.26	3.91	-113.15
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCN2CCNC2=O)C=C1	REAL300000500446	0	44	-2.0	-107.62	389.60	4.04	-103.58
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000500447	0	45	-2.0	-119.52	402.21	3.50	-116.02
CC1=CC(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)=CC=C1C(=O)[O-]	REAL300000500448	0	44	-2.0	-107.66	390.20	3.83	-103.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)=C1F	REAL300000500449	0	41	-2.0	-125.19	377.85	3.31	-121.88
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)=C1	REAL300000500450	0	40	-2.0	-117.65	370.40	1.40	-116.25
CCC1=C(S(=O)(=O)[N-]C2=NN(CCN3CCNC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000500451	0	44	-2.0	-113.34	396.32	3.28	-110.06
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2S1	REAL300000500452	1	33	-2.0	-106.39	323.28	5.15	-101.24
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C2S1	REAL300000500453	1	33	-2.0	-96.59	318.72	5.13	-91.46
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2S1	REAL300000500454	1	33	-2.0	-108.85	318.74	5.12	-103.73
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SC(C)=NC2=C1	REAL300000500455	0	37	-2.0	-113.56	346.88	4.92	-108.64
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C2S1	REAL300000500456	1	37	-2.0	-96.06	350.19	6.41	-89.65
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C2S1	REAL300000500457	1	36	-2.0	-110.00	334.76	5.65	-104.35
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C2S1	REAL300000500458	0	33	-2.0	-103.91	331.81	5.69	-98.22
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C2S1	REAL300000500459	1	33	-2.0	-104.73	331.26	5.51	-99.22
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=CC=C2S1	REAL300000500460	1	39	-2.0	-110.84	351.14	6.42	-104.42
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2S1	REAL300000500461	0	33	-2.0	-105.54	324.22	5.18	-100.36
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C2S1	REAL300000500462	1	39	-2.0	-95.08	362.31	6.70	-88.38
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2S1	REAL300000500463	0	30	-2.0	-103.20	311.92	4.14	-99.06
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C2S1	REAL300000500464	1	36	-2.0	-109.08	334.17	5.89	-103.19
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=CC=C2S1	REAL300000500465	1	37	-2.0	-94.70	349.81	5.40	-89.30
CC1=NC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2S1	REAL300000500466	0	34	-2.0	-107.32	325.39	4.47	-102.85
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)=CC=C2S1	REAL300000500467	1	37	-2.0	-109.55	342.95	3.93	-105.62
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC=C2S1	REAL300000500468	0	33	-2.0	-99.38	327.87	4.80	-94.58
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=CC=C2S1	REAL300000500469	1	39	-2.0	-110.15	350.20	6.44	-103.71
CC1=NC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2S1	REAL300000500470	0	30	-2.0	-104.70	310.40	4.15	-100.55
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC(C)=NC3=C2)C=C1C(=O)[O-]	REAL300000500471	1	37	-2.0	-114.75	346.03	5.19	-109.56
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)=CC=C2S1	REAL300000500472	1	42	-2.0	-111.05	372.65	7.13	-103.92
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SC(C)=NC2=C1	REAL300000500473	1	39	-2.0	-107.20	348.88	6.84	-100.36
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SC(C)=NC2=C1	REAL300000500474	0	40	-2.0	-112.92	369.17	5.68	-107.24
CC1=NC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C2S1	REAL300000500475	0	36	-2.0	-114.98	353.86	5.55	-109.43
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C2S1	REAL300000500475	1	35	-3.0	-184.74	347.15	5.68	-179.06
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C2S1	REAL300000500476	1	40	-2.0	-113.04	362.99	7.00	-106.04
CC1=NC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C2S1	REAL300000500477	0	33	-2.0	-102.30	321.75	4.26	-98.04
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC=C2S1	REAL300000500478	0	37	-2.0	-110.19	347.73	4.21	-105.98
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(C)=C3)=CC=C2S1	REAL300000500479	1	40	-2.0	-95.20	369.90	6.11	-89.09
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=CC=C2S1	REAL300000500480	1	36	-2.0	-99.72	339.45	5.92	-93.80
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=CC=C2S1	REAL300000500481	1	37	-2.0	-94.28	356.04	5.47	-88.81
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC(C)=NC3=C2)C=C1C(=O)[O-]	REAL300000500482	1	40	-2.0	-115.37	367.88	6.09	-109.28
CC1=NC2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C2S1	REAL300000500483	0	33	-2.0	-105.43	328.44	5.00	-100.43
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C2S1	REAL300000500484	0	33	-2.0	-94.25	331.79	5.68	-88.57
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2S1	REAL300000500485	1	33	-2.0	-96.11	323.26	5.16	-90.95
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2S1	REAL300000500486	0	30	-2.0	-98.15	311.01	4.25	-93.90
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2S1	REAL300000500487	1	33	-2.0	-99.82	325.14	5.18	-94.64
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=CC=C2S1	REAL300000500488	0	36	-2.0	-106.86	344.50	5.82	-101.04
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2S1	REAL300000500489	0	33	-2.0	-96.10	324.21	5.19	-90.91
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C2S1	REAL300000500490	1	33	-2.0	-94.16	331.24	5.52	-88.64
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)=CC=C2S1	REAL300000500491	1	36	-2.0	-101.37	348.18	6.31	-95.06
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C2S1	REAL300000500492	1	33	-2.0	-97.98	329.56	5.21	-92.77
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC=C2S1	REAL300000500493	0	35	-2.0	-93.92	346.93	5.79	-88.13
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2S1	REAL300000500494	0	34	-2.0	-107.60	328.46	2.82	-104.78
CC1=NC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2S1	REAL300000500494	1	34	-2.0	-105.26	317.48	3.72	-101.54
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2S1	REAL300000500495	1	36	-2.0	-99.42	340.91	5.89	-93.53
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C2S1	REAL300000500496	1	36	-2.0	-105.80	328.78	5.75	-100.05
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=CC=C2S1	REAL300000500497	1	36	-2.0	-107.72	343.57	5.77	-101.95
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=CC=C2S1	REAL300000500498	1	36	-2.0	-96.62	334.15	5.88	-90.74
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=CC=C2S1	REAL300000500499	1	39	-2.0	-113.21	356.24	6.32	-106.89
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=CC=C2S1	REAL300000500500	0	35	-2.0	-107.40	345.30	6.22	-101.18
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C2S1	REAL300000500501	0	33	-2.0	-97.38	330.50	5.24	-92.14
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=CC=C2S1	REAL300000500502	1	39	-2.0	-110.05	353.22	6.50	-103.55
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=CC=C2S1	REAL300000500503	0	36	-2.0	-107.84	344.05	5.82	-102.02
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3Cl)=CC=C2S1	REAL300000500504	0	36	-2.0	-105.60	350.50	6.26	-99.34
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC=C2S1	REAL300000500505	0	36	-2.0	-114.52	343.75	5.81	-108.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC(C)=NC3=C2)C=C1C(=O)[O-]	REAL300000500506	1	39	-2.0	-110.73	352.71	6.30	-104.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SC(C)=NC3=C2)C=C1CC(=O)[O-]	REAL300000500507	1	40	-2.0	-112.12	369.21	5.25	-106.87
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)=CC=C2S1	REAL300000500508	1	36	-2.0	-98.80	345.00	6.29	-92.51
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C)=C(Cl)C(C(=O)[O-])=C3)=CC=C2S1	REAL300000500509	1	36	-2.0	-106.45	349.96	6.08	-100.37
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3SC(C)=NC3=C2)C=C1C(=O)[O-]	REAL300000500510	0	37	-2.0	-108.54	346.76	5.34	-103.20
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)=CC=C2S1	REAL300000500511	1	36	-2.0	-103.43	352.48	6.19	-97.24
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C2S1	REAL300000500512	1	36	-2.0	-96.67	334.75	5.66	-91.01
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=CC=C2S1	REAL300000500513	1	36	-2.0	-106.76	338.28	5.96	-100.80
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=CC=C2S1	REAL300000500514	0	35	-2.0	-117.04	342.48	6.97	-110.07
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2S1	REAL300000500515	0	33	-2.0	-113.82	322.40	5.15	-108.67
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=CC=C2S1	REAL300000500516	1	36	-2.0	-101.67	343.68	5.80	-95.87
CC1=NC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C2S1	REAL300000500517	1	39	-2.0	-117.13	359.78	7.24	-109.89
CC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2S1	REAL300000500518	0	32	-2.0	-105.12	315.73	3.17	-101.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2SC(C)=NC2=C1	REAL300000500519	0	37	-2.0	-100.69	346.94	4.91	-95.78
CC1=NC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2S1	REAL300000500520	0	30	-2.0	-96.39	318.90	4.09	-92.30
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C2S1	REAL300000500521	1	40	-2.0	-102.72	364.87	7.01	-95.71
CC1=NC2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C2S1	REAL300000500522	1	40	-2.0	-107.45	364.18	7.01	-100.44
CCC1=C(S(=O)(=O)[N-]C2=CC=C3SC(C)=NC3=C2)C=C(C(=O)[O-])O1	REAL300000500523	0	36	-2.0	-101.99	340.88	5.11	-96.88
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000500524	0	41	-2.0	-84.10	374.06	-0.63	-84.73
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000500525	0	34	-2.0	-99.10	322.14	0.81	-98.29
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1C	REAL300000500526	0	42	-2.0	-100.97	377.22	1.88	-99.09
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000500527	0	34	-2.0	-89.61	317.57	0.79	-88.82
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000500528	0	34	-2.0	-101.20	317.60	0.78	-100.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1C	REAL300000500529	0	38	-2.0	-107.01	345.74	0.58	-106.43
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000500530	0	38	-2.0	-89.83	349.05	2.08	-87.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)C=C1C(=O)[O-]	REAL300000500531	0	37	-2.0	-102.06	333.61	1.32	-100.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)=C1C	REAL300000500532	0	40	-2.0	-104.93	349.99	2.08	-102.85
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000500533	0	34	-2.0	-98.79	323.07	0.85	-97.94
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000500534	0	40	-2.0	-88.96	361.16	2.37	-86.59
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000500535	0	31	-2.0	-95.73	310.79	-0.19	-95.92
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1C	REAL300000500536	0	37	-2.0	-103.13	333.03	1.55	-101.58
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000500537	0	38	-2.0	-88.31	348.66	1.07	-87.24
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000500538	0	35	-2.0	-99.62	324.25	0.14	-99.48
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1C	REAL300000500539	1	38	-2.0	-104.00	341.38	-0.39	-104.39
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)=C1	REAL300000500540	0	34	-2.0	-91.96	326.71	0.47	-91.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)C=C1C(=O)[O-]	REAL300000500541	0	40	-2.0	-104.21	349.05	2.09	-102.12
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000500542	0	31	-2.0	-97.15	309.24	-0.19	-97.34
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)=CC(C(=O)[O-])=C1OC	REAL300000500543	0	42	-2.0	-101.52	375.91	0.60	-100.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)C=C1C(=O)[O-]	REAL300000500544	0	38	-2.0	-107.01	344.89	0.85	-106.16
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000500545	0	44	-2.0	-106.50	372.83	3.42	-103.08
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000500546	0	43	-2.0	-105.12	371.50	2.78	-102.34
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1C	REAL300000500547	0	40	-2.0	-102.00	347.14	2.48	-99.52
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1C	REAL300000500548	0	41	-2.0	-107.03	368.03	1.35	-105.68
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000500549	0	36	-3.0	-173.83	346.00	1.36	-172.47
CC1=NC(C(N)=O)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000500549	1	37	-2.0	-111.31	346.13	1.35	-109.96
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000500550	0	41	-2.0	-106.72	361.84	2.69	-104.03
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)C=C(C(=O)[O-])O1	REAL300000500551	0	34	-2.0	-96.20	320.61	-0.07	-96.27
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000500552	0	40	-2.0	-105.77	359.76	0.56	-105.21
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)=C1	REAL300000500553	0	38	-2.0	-101.15	346.52	-0.13	-101.28
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000500554	0	42	-2.0	-88.68	370.51	1.39	-87.29
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000500555	0	38	-2.0	-87.11	364.71	1.61	-85.50
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)=CC=C1OCC(=O)[O-]	REAL300000500556	0	41	-2.0	-88.70	368.75	1.77	-86.93
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000500557	0	37	-2.0	-93.96	338.31	1.60	-92.36
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000500558	0	38	-2.0	-88.20	354.90	1.13	-87.07
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)C=C1C(=O)[O-]	REAL300000500559	0	41	-2.0	-107.57	366.74	1.76	-105.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)C=C(C(=O)[O-])S1	REAL300000500560	0	34	-2.0	-99.56	327.29	0.67	-98.89
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000500561	0	34	-2.0	-87.33	330.65	1.35	-85.98
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000500562	0	34	-2.0	-89.38	322.13	0.82	-88.56
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000500563	0	31	-2.0	-90.95	309.86	-0.09	-91.04
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000500564	0	34	-2.0	-92.42	324.00	0.85	-91.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)=C1F	REAL300000500565	0	37	-2.0	-99.98	343.36	1.49	-98.49
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000500566	0	38	-2.0	-91.90	357.90	1.40	-90.50
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000500567	0	34	-2.0	-88.58	323.06	0.86	-87.72
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000500568	0	34	-2.0	-87.21	330.10	1.18	-86.03
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000500569	0	37	-2.0	-95.52	347.04	1.98	-93.54
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000500570	0	42	-2.0	-86.89	381.33	2.19	-84.70
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000500571	0	36	-2.0	-86.86	345.78	1.44	-85.42
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000500572	0	35	-2.0	-102.39	327.32	-1.52	-103.91
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000500573	0	37	-2.0	-93.20	339.76	1.57	-91.63
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000500574	0	34	-2.0	-92.29	338.30	1.32	-90.97
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000500575	0	37	-2.0	-96.93	327.64	1.41	-95.52
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)=CC(C(=O)[O-])=C1F	REAL300000500576	0	37	-2.0	-100.30	342.43	1.43	-98.87
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1C	REAL300000500577	0	37	-2.0	-90.10	333.01	1.54	-88.56
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)=CC(C(=O)[O-])=C1C	REAL300000500578	0	40	-2.0	-105.18	355.09	1.98	-103.20
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000500579	0	36	-2.0	-100.43	344.15	1.88	-98.55
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000500580	0	34	-2.0	-90.51	329.33	0.91	-89.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)C(C)=C1C(=O)[O-]	REAL300000500581	0	40	-2.0	-101.27	351.13	2.19	-99.08
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)C=C1C(=O)[O-]	REAL300000500582	0	37	-2.0	-100.93	342.91	1.48	-99.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)=C1Cl	REAL300000500583	0	37	-2.0	-99.24	349.36	1.92	-97.32
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)=C1	REAL300000500584	0	37	-2.0	-104.80	342.63	1.47	-103.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)C=C1C(=O)[O-]	REAL300000500585	0	40	-2.0	-102.71	351.92	1.97	-100.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)C=C1CC(=O)[O-]	REAL300000500586	0	41	-2.0	-102.83	368.07	0.91	-101.92
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000500587	0	37	-2.0	-90.60	343.86	1.96	-88.64
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000500588	0	37	-2.0	-98.87	348.81	1.74	-97.13
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)C=C1C(=O)[O-]	REAL300000500589	0	38	-2.0	-100.75	345.61	1.00	-99.75
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)C(C)=C1CC(=O)[O-]	REAL300000500590	1	46	-2.0	-100.56	382.75	3.65	-96.91
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000500591	0	37	-2.0	-94.52	347.46	1.75	-92.77
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)C=C1C(=O)[O-]	REAL300000500592	0	38	-2.0	-103.22	357.91	1.41	-101.81
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)=CC=C1C(=O)[O-]	REAL300000500593	0	37	-2.0	-89.47	333.61	1.33	-88.14
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000500594	0	39	-2.0	-93.95	360.85	2.96	-90.99
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1C	REAL300000500595	0	37	-2.0	-101.21	337.13	1.61	-99.60
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000500596	0	36	-2.0	-107.47	341.34	2.63	-104.84
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000500597	0	34	-2.0	-104.17	321.24	0.81	-103.36
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000500598	0	37	-2.0	-92.91	338.76	1.35	-91.56
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000500599	0	40	-2.0	-108.95	358.64	2.91	-106.04
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000500600	0	33	-2.0	-99.07	314.59	-1.16	-100.23
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1C	REAL300000500601	0	38	-2.0	-93.43	345.80	0.58	-92.85
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000500602	0	31	-2.0	-89.88	317.71	-0.24	-90.12
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000500603	0	41	-2.0	-96.29	363.73	2.67	-93.62
CC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000500604	0	41	-2.0	-97.42	361.68	2.64	-94.78
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2C)C=C(C(=O)[O-])O1	REAL300000500605	0	37	-2.0	-96.24	339.72	0.78	-95.46
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(C(F)(F)F)=C1	REAL300000500606	1	39	-2.0	-95.19	356.20	6.44	-88.75
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000500607	1	39	-2.0	-107.90	355.88	6.40	-101.50
CN(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(C(F)(F)F)=C1	REAL300000500608	0	36	-2.0	-101.89	349.00	5.42	-96.47
CN(C)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000500609	0	40	-2.0	-106.53	363.53	5.78	-100.75
CN(C)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000500610	0	36	-2.0	-103.37	347.11	5.42	-97.95
CC1=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000500611	0	39	-2.0	-101.83	358.82	5.54	-96.29
CN(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(C(F)(F)F)=C1	REAL300000500612	0	36	-2.0	-96.57	348.10	5.55	-91.02
CN(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(C(F)(F)F)=C1	REAL300000500613	0	38	-2.0	-105.53	352.78	4.47	-101.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=CC=C1F	REAL300000500614	1	34	-2.0	-109.87	324.53	6.00	-103.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1	REAL300000500615	1	34	-2.0	-96.65	319.98	5.98	-90.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500616	1	34	-2.0	-108.90	320.00	5.97	-102.93
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=C2)C=C1	REAL300000500617	0	38	-2.0	-113.91	348.14	5.77	-108.14
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1	REAL300000500618	1	38	-2.0	-96.21	351.45	7.27	-88.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1C(=O)[O-]	REAL300000500619	1	37	-2.0	-110.01	336.04	6.51	-103.50
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500620	0	34	-2.0	-104.18	333.07	6.54	-97.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=CC=C1Cl	REAL300000500621	1	34	-2.0	-108.27	332.50	6.37	-101.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1C	REAL300000500622	1	40	-2.0	-111.55	352.66	7.33	-104.22
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500623	0	34	-2.0	-105.79	325.47	6.04	-99.75
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1	REAL300000500624	1	40	-2.0	-95.69	363.57	7.56	-88.13
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500625	0	31	-2.0	-103.26	313.18	4.99	-98.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=C2)C=C1	REAL300000500626	1	37	-2.0	-109.46	335.43	6.77	-102.69
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1	REAL300000500627	1	38	-2.0	-94.89	351.08	6.26	-88.63
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1C(=O)[O-]	REAL300000500628	0	35	-2.0	-107.35	326.65	5.32	-102.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500630	0	34	-2.0	-99.42	329.12	5.66	-93.76
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1C(=O)[O-]	REAL300000500631	1	40	-2.0	-110.95	351.04	7.31	-103.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=CS1	REAL300000500632	0	31	-2.0	-104.67	311.65	5.02	-99.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1C(=O)[O-]	REAL300000500633	1	38	-2.0	-114.77	347.29	6.04	-108.73
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500634	1	44	-2.0	-113.14	375.22	8.60	-104.54
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=C2)C=C1	REAL300000500635	1	43	-2.0	-111.55	373.89	7.99	-103.56
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=C2)C=C1	REAL300000500636	1	40	-2.0	-107.85	350.13	7.71	-100.14
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=C2)C=C1	REAL300000500637	0	41	-2.0	-114.86	370.43	6.54	-108.32
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NOC=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300000500638	0	37	-2.0	-111.36	354.94	6.41	-104.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300000500638	1	36	-3.0	-184.18	348.40	6.54	-177.64
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500639	1	41	-2.0	-113.46	364.25	7.88	-105.58
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000500640	0	34	-2.0	-102.62	323.03	5.12	-97.50
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500641	0	38	-2.0	-110.24	348.97	5.06	-105.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C(Cl)C=C1F	REAL300000500642	0	34	-2.0	-101.00	337.58	6.57	-94.43
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=CC=C1OCC(=O)[O-]	REAL300000500643	1	41	-2.0	-95.36	371.15	6.96	-88.40
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=C2)C=C1	REAL300000500644	1	37	-2.0	-100.14	340.70	6.80	-93.34
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1F	REAL300000500645	1	38	-2.0	-97.52	357.29	6.32	-91.20
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1C(=O)[O-]	REAL300000500646	1	41	-2.0	-118.96	369.13	6.95	-112.01
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000500647	0	34	-2.0	-105.97	328.61	5.86	-100.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C(Cl)=C1	REAL300000500648	0	34	-2.0	-94.29	333.05	6.53	-87.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1F	REAL300000500649	1	34	-2.0	-96.25	324.53	6.01	-90.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)S1	REAL300000500650	0	31	-2.0	-98.22	312.25	5.10	-93.12
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500651	1	34	-2.0	-99.84	326.41	6.04	-93.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1F	REAL300000500652	0	37	-2.0	-107.12	345.77	6.68	-100.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C(F)=C1	REAL300000500653	0	34	-2.0	-96.03	325.46	6.04	-89.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1Cl	REAL300000500654	1	34	-2.0	-94.22	332.50	6.38	-87.84
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=C2)C=C1	REAL300000500655	1	37	-2.0	-101.82	349.44	7.18	-94.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=CC(F)=C1F	REAL300000500656	1	34	-2.0	-98.15	330.82	6.07	-92.08
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500657	0	36	-2.0	-97.22	348.18	6.64	-90.58
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500658	0	35	-2.0	-108.21	329.71	3.69	-104.52
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500658	1	35	-2.0	-107.89	328.84	4.55	-103.34
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1	REAL300000500659	1	37	-2.0	-101.14	342.18	6.76	-94.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=CC(Cl)=C1F	REAL300000500660	1	34	-2.0	-99.46	340.71	6.50	-92.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=C2)C=C1	REAL300000500661	1	37	-2.0	-106.60	333.81	6.71	-99.89
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000500662	1	37	-2.0	-107.80	344.83	6.62	-101.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=C2)C=C1	REAL300000500663	1	37	-2.0	-96.84	335.41	6.75	-90.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000500664	1	40	-2.0	-115.58	352.87	7.04	-108.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000500665	0	36	-2.0	-107.34	346.57	7.06	-100.28
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500666	0	34	-2.0	-97.53	331.74	6.10	-91.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C(C)=C1C(=O)[O-]	REAL300000500667	1	40	-2.0	-109.95	353.38	7.38	-102.57
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1C(=O)[O-]	REAL300000500668	0	37	-2.0	-106.79	341.47	6.57	-100.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1Cl	REAL300000500669	0	37	-2.0	-105.94	351.74	7.11	-98.83
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500670	0	37	-2.0	-114.16	345.03	6.66	-107.50
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1C(=O)[O-]	REAL300000500671	1	40	-2.0	-114.40	354.23	7.16	-107.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1CC(=O)[O-]	REAL300000500672	1	41	-2.0	-114.24	370.46	6.10	-108.14
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=C2)C=C1	REAL300000500673	1	37	-2.0	-98.71	346.26	7.16	-91.55
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000500674	1	37	-2.0	-106.54	351.21	6.94	-99.60
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1C(=O)[O-]	REAL300000500675	0	38	-2.0	-108.58	348.02	6.19	-102.39
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1C(=O)[O-]	REAL300000500676	1	37	-2.0	-103.47	353.78	7.04	-96.43
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300000500677	1	37	-2.0	-96.70	336.00	6.52	-90.18
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=C2)C=C1	REAL300000500678	1	37	-2.0	-106.87	339.94	6.80	-100.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1[N+](=O)[O-]	REAL300000500679	0	36	-2.0	-116.65	343.72	7.83	-108.82
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1F	REAL300000500680	0	34	-2.0	-113.48	323.61	6.00	-107.48
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C1C(=O)[O-]	REAL300000500681	1	37	-2.0	-101.69	344.96	6.65	-95.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=CC2=CC=CC=C21	REAL300000500682	1	40	-2.0	-117.11	361.04	8.09	-109.02
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C1	REAL300000500683	0	33	-2.0	-106.56	316.21	4.10	-102.46
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC=C2)C=C1	REAL300000500684	0	38	-2.0	-100.82	348.20	5.78	-95.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)=C(Cl)O1	REAL300000500685	0	31	-2.0	-96.65	320.14	4.95	-91.70
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NOC=C4)C=C3)C=C2)CC1	REAL300000500686	1	41	-2.0	-102.59	363.97	7.79	-94.80
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NOC=C4)C=C3)C=C2C1	REAL300000500687	1	41	-2.0	-105.03	365.45	7.87	-97.16
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000500688	0	37	-2.0	-102.47	342.12	5.97	-96.50
CCN(C1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000500716	0	37	-2.0	-106.51	356.60	8.47	-98.04
CCN(C1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000500739	0	35	-2.0	-104.46	317.95	6.59	-97.87
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000500771	1	38	-2.0	-108.22	344.56	6.66	-101.56
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300000500772	1	38	-2.0	-98.13	340.02	6.64	-91.49
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000500773	1	38	-2.0	-111.08	340.03	6.63	-104.45
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(OC)=C1	REAL300000500774	0	42	-2.0	-116.40	368.18	6.44	-109.96
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300000500775	1	42	-2.0	-97.50	371.48	7.93	-89.57
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000500776	1	41	-2.0	-112.31	356.05	7.17	-105.14
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC2=CC=CC=C21	REAL300000500777	0	38	-2.0	-106.27	353.10	7.21	-99.06
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000500778	1	38	-2.0	-106.73	352.54	7.03	-99.70
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC2=CC=CC=C21	REAL300000500779	1	44	-2.0	-113.34	372.43	7.95	-105.39
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC2=CC=CC=C21	REAL300000500780	0	38	-2.0	-108.17	345.51	6.70	-101.47
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300000500781	1	44	-2.0	-96.73	383.60	8.22	-88.51
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC2=CC=CC=C21	REAL300000500782	0	35	-2.0	-105.12	333.22	5.66	-99.46
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC2=CC=CC=C21	REAL300000500783	1	41	-2.0	-111.44	355.46	7.43	-104.01
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300000500784	1	42	-2.0	-96.18	371.10	6.92	-89.26
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000500785	0	39	-2.0	-109.28	346.68	6.01	-103.27
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CC2=CC=CC=C21	REAL300000500786	1	42	-2.0	-111.81	364.24	5.46	-106.35
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC2=CC=CC=C21	REAL300000500787	0	38	-2.0	-101.19	349.14	6.32	-94.87
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC2=CC=CC=C21	REAL300000500788	1	44	-2.0	-113.11	371.10	7.98	-105.13
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000500789	0	35	-2.0	-106.61	331.68	5.69	-100.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(OC)=C2)C=C1C(=O)[O-]	REAL300000500790	1	42	-2.0	-116.81	367.32	6.71	-110.10
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC2=CC=CC=C21	REAL300000500791	1	47	-2.0	-113.75	393.94	8.65	-105.10
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(OC)=C1	REAL300000500792	1	44	-2.0	-109.55	370.18	8.36	-101.19
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC2=CC=CC=C21	REAL300000500793	1	45	-2.0	-115.88	384.28	8.54	-107.34
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000500794	0	38	-2.0	-104.37	343.04	5.79	-98.58
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC2=CC=CC=C21	REAL300000500795	0	42	-2.0	-112.13	369.02	5.72	-106.41
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC2=CC=CC=C21	REAL300000500796	1	41	-2.0	-101.86	360.74	7.47	-94.39
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000500797	0	38	-2.0	-107.63	349.73	6.54	-101.09
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC2=CC=CC=C21	REAL300000500798	0	38	-2.0	-95.62	353.08	7.19	-88.43
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC2=CC=CC=C21	REAL300000500799	1	38	-2.0	-97.49	344.56	6.68	-90.81
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC2=CC=CC=C21	REAL300000500800	0	35	-2.0	-99.98	332.30	5.76	-94.22
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000500801	1	38	-2.0	-101.67	346.44	6.70	-94.97
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC2=CC=CC=C21	REAL300000500802	0	41	-2.0	-109.67	365.79	7.34	-102.33
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC2=CC=CC=C21	REAL300000500803	0	38	-2.0	-97.74	345.49	6.70	-91.04
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC2=CC=CC=C21	REAL300000500804	1	38	-2.0	-95.61	352.53	7.05	-88.56
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000500805	1	38	-2.0	-99.55	350.85	6.73	-92.82
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC2=CC=CC=C21	REAL300000500806	0	39	-2.0	-110.35	349.75	4.35	-106.00
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC2=CC=CC=C21	REAL300000500806	1	39	-2.0	-107.06	338.78	5.22	-101.84
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300000500807	1	41	-2.0	-101.55	362.20	7.42	-94.13
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC2=CC=CC=C21	REAL300000500808	1	41	-2.0	-107.33	350.09	7.27	-100.06
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000500809	1	41	-2.0	-109.64	364.88	7.28	-102.36
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC2=CC=CC=C21	REAL300000500810	1	41	-2.0	-98.10	355.44	7.43	-90.67
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000500811	1	44	-2.0	-115.55	377.53	7.83	-107.72
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC2=CC=CC=C21	REAL300000500812	0	38	-2.0	-99.69	351.79	6.76	-92.93
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC2=CC=CC=C21	REAL300000500813	1	44	-2.0	-111.81	373.42	8.05	-103.76
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC2=CC=CC=C21	REAL300000500814	0	41	-2.0	-110.54	365.35	7.33	-103.21
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC2=CC=CC=C21	REAL300000500815	0	41	-2.0	-116.45	365.07	7.33	-109.12
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(OC)=C2)C=C1C(=O)[O-]	REAL300000500816	1	44	-2.0	-113.02	373.99	7.82	-105.20
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(OC)=C2)C=C1C(=O)[O-]	REAL300000500817	0	42	-2.0	-110.58	368.05	6.85	-103.73
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC2=CC=CC=C21	REAL300000500818	1	41	-2.0	-98.31	356.04	7.19	-91.12
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC2=CC=CC=C21	REAL300000500819	1	41	-2.0	-108.58	359.99	7.47	-101.11
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC2=CC=CC=C21	REAL300000500820	0	38	-2.0	-115.61	343.69	6.68	-108.93
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000500821	1	41	-2.0	-103.56	364.97	7.32	-96.24
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC2=CC=CC=C21	REAL300000500822	0	37	-2.0	-108.83	336.25	4.78	-104.05
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC2=CC=CC=C21	REAL300000500823	0	42	-2.0	-102.49	368.23	6.44	-96.05
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300000500824	0	35	-2.0	-98.17	340.18	5.63	-92.54
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC2=CC=CC=C21	REAL300000500825	1	45	-2.0	-104.62	386.16	8.52	-96.10
COC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC2=CC=CC=C21	REAL300000500826	1	45	-2.0	-108.88	385.47	8.52	-100.36
CCC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000500827	0	41	-2.0	-104.10	362.16	6.64	-97.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=CC=C1F	REAL300000500828	1	34	-2.0	-114.25	324.62	6.00	-108.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C1	REAL300000500829	1	34	-2.0	-104.21	320.06	5.98	-98.23
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500830	1	34	-2.0	-117.07	320.07	5.97	-111.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC=C2)=C1	REAL300000500831	0	38	-2.0	-121.57	348.27	5.77	-115.80
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C1	REAL300000500832	1	38	-2.0	-103.37	351.54	7.27	-96.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C1C(=O)[O-]	REAL300000500833	1	37	-2.0	-118.33	336.09	6.51	-111.82
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500834	0	34	-2.0	-111.54	333.19	6.55	-104.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=CC=C1Cl	REAL300000500835	1	34	-2.0	-112.71	332.60	6.37	-106.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1C	REAL300000500836	1	40	-2.0	-118.75	352.81	7.32	-111.43
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500837	0	34	-2.0	-113.56	325.60	6.04	-107.52
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C1	REAL300000500838	1	40	-2.0	-102.46	363.66	7.55	-94.91
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500839	0	31	-2.0	-111.07	313.31	4.99	-106.08
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC=C2)=C1	REAL300000500840	1	37	-2.0	-116.68	335.50	6.76	-109.92
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C1C(=O)[O-]	REAL300000500842	0	35	-2.0	-115.36	326.78	5.32	-110.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500844	0	34	-2.0	-107.21	329.25	5.66	-101.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=CS1	REAL300000500846	0	31	-2.0	-112.62	311.72	5.01	-107.61
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500848	1	44	-2.0	-120.79	375.33	8.59	-112.20
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC=C2)=C1	REAL300000500849	1	43	-2.0	-118.72	374.03	7.98	-110.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC=C2)=C1	REAL300000500850	1	40	-2.0	-114.47	350.26	7.69	-106.78
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC=C2)=C1	REAL300000500851	0	41	-2.0	-120.96	370.56	6.54	-114.42
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500852	0	37	-2.0	-113.82	355.01	6.40	-107.42
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500852	1	36	-3.0	-194.30	348.54	6.54	-187.76
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500853	1	41	-2.0	-121.09	364.32	7.87	-113.22
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000500854	0	34	-2.0	-109.83	323.08	5.12	-104.71
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500855	0	38	-2.0	-118.35	349.06	5.06	-113.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C(Cl)C=C1F	REAL300000500856	0	34	-2.0	-108.08	337.66	6.57	-101.51
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC=C2)=C1	REAL300000500858	1	37	-2.0	-107.28	340.78	6.79	-100.49
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C1F	REAL300000500859	1	38	-2.0	-101.46	357.36	6.31	-95.15
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C(C(=O)[O-])S1	REAL300000500861	0	34	-2.0	-112.95	329.82	5.86	-107.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C(Cl)=C1	REAL300000500862	0	34	-2.0	-101.62	333.12	6.53	-95.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C1F	REAL300000500863	1	34	-2.0	-103.56	324.59	6.01	-97.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)S1	REAL300000500864	0	31	-2.0	-105.92	312.39	5.10	-100.82
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500865	1	34	-2.0	-107.61	326.53	6.04	-101.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1F	REAL300000500866	0	37	-2.0	-115.11	345.83	6.68	-108.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C(F)=C1	REAL300000500867	0	34	-2.0	-103.89	325.53	6.04	-97.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C1Cl	REAL300000500868	1	34	-2.0	-101.67	332.56	6.37	-95.30
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC=C2)=C1	REAL300000500869	1	37	-2.0	-108.95	349.51	7.18	-101.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=CC(F)=C1F	REAL300000500870	1	34	-2.0	-105.64	330.94	6.07	-99.57
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500871	0	36	-2.0	-101.66	348.26	6.64	-95.02
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500872	0	35	-2.0	-115.05	329.83	3.69	-111.36
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500872	1	35	-2.0	-113.62	329.01	4.48	-109.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C1	REAL300000500873	1	37	-2.0	-107.16	342.26	6.75	-100.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=CC(Cl)=C1F	REAL300000500874	1	34	-2.0	-107.19	340.83	6.50	-100.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC=C2)=C1	REAL300000500875	1	37	-2.0	-114.05	330.20	6.61	-107.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=CC(C(=O)[O-])=C1F	REAL300000500876	1	37	-2.0	-115.69	344.91	6.62	-109.07
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=CC(C(=O)[O-])=C1C	REAL300000500878	1	40	-2.0	-120.35	352.96	7.04	-113.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=CC=C1[N+](=O)[O-]	REAL300000500879	0	36	-2.0	-114.93	346.65	7.07	-107.86
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500880	0	34	-2.0	-105.29	331.83	6.10	-99.19
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C1C(=O)[O-]	REAL300000500882	0	37	-2.0	-115.98	345.39	6.67	-109.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1Cl	REAL300000500883	0	37	-2.0	-113.40	351.83	7.11	-106.29
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500884	0	37	-2.0	-123.29	345.16	6.67	-116.62
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C1C(=O)[O-]	REAL300000500885	1	40	-2.0	-119.04	354.31	7.16	-111.88
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC=C2)=C1	REAL300000500887	1	37	-2.0	-106.82	346.33	7.15	-99.67
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000500888	1	37	-2.0	-114.59	351.30	6.93	-107.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C1C(=O)[O-]	REAL300000500889	0	38	-2.0	-116.76	348.10	6.19	-110.57
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C1C(=O)[O-]	REAL300000500890	1	37	-2.0	-111.63	353.87	7.04	-104.59
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000500891	1	37	-2.0	-104.37	336.13	6.52	-97.85
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC=C2)=C1	REAL300000500892	1	37	-2.0	-114.19	339.61	6.81	-107.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1[N+](=O)[O-]	REAL300000500893	0	36	-2.0	-125.61	343.85	7.82	-117.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1F	REAL300000500894	0	34	-2.0	-122.36	323.69	6.00	-116.36
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C1C(=O)[O-]	REAL300000500895	1	37	-2.0	-109.77	345.07	6.65	-103.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=CC2=CC=CC=C21	REAL300000500896	1	40	-2.0	-125.70	361.16	8.09	-117.61
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C1	REAL300000500897	0	33	-2.0	-113.02	317.06	4.03	-108.99
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NOC=C2)=C1	REAL300000500898	0	38	-2.0	-108.50	348.27	5.77	-102.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)=C(Cl)O1	REAL300000500899	0	31	-2.0	-103.91	320.27	4.95	-98.96
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NOC=C4)=C3)C=C2)CC1	REAL300000500900	1	41	-2.0	-110.25	366.25	7.86	-102.39
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NOC=C4)=C3)C=C2C1	REAL300000500901	1	41	-2.0	-115.92	365.51	7.86	-108.06
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NOC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000500902	0	37	-2.0	-109.45	342.20	5.97	-103.48
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC2=N1	REAL300000500903	1	38	-2.0	-116.19	353.34	6.48	-109.71
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC2=N1	REAL300000500904	1	38	-2.0	-106.29	348.78	6.46	-99.83
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC2=N1	REAL300000500905	1	38	-2.0	-119.07	348.80	6.45	-112.62
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)=CC2=N1	REAL300000500906	0	42	-2.0	-123.44	376.94	6.25	-117.19
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC2=N1	REAL300000500907	1	42	-2.0	-105.28	380.25	7.74	-97.54
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC2=N1	REAL300000500908	1	41	-2.0	-121.69	368.87	7.10	-114.59
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC2=N1	REAL300000500909	0	38	-2.0	-113.42	361.87	7.02	-106.40
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC2=N1	REAL300000500910	1	38	-2.0	-114.64	361.31	6.84	-107.80
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=CC2=N1	REAL300000500911	1	44	-2.0	-120.36	381.20	7.76	-112.60
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC2=N1	REAL300000500912	0	38	-2.0	-115.46	354.28	6.51	-108.95
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC2=N1	REAL300000500913	1	44	-2.0	-104.41	392.37	8.03	-96.38
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC2=N1	REAL300000500914	0	35	-2.0	-113.21	341.99	5.46	-107.75
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC2=N1	REAL300000500915	1	41	-2.0	-118.40	364.24	7.23	-111.17
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=CC2=N1	REAL300000500916	1	42	-2.0	-104.01	379.87	6.72	-97.29
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC2=N1	REAL300000500917	0	39	-2.0	-117.47	355.45	5.79	-111.68
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)=CC2=N1	REAL300000500918	1	42	-2.0	-118.91	373.01	5.26	-113.65
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC2=N1	REAL300000500919	0	38	-2.0	-109.32	357.92	6.12	-103.20
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=CC2=N1	REAL300000500920	1	44	-2.0	-119.67	380.26	7.77	-111.90
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC2=N1	REAL300000500921	0	35	-2.0	-114.51	340.45	5.48	-109.03
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(OC)C(C(=O)[O-])=C3)=CC2=N1	REAL300000500922	1	42	-2.0	-124.91	376.09	6.51	-118.40
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)=CC2=N1	REAL300000500923	1	47	-2.0	-120.58	402.70	8.47	-112.11
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3CC)=CC2=N1	REAL300000500924	1	44	-2.0	-116.17	378.95	8.17	-108.00
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC2=N1	REAL300000500925	1	45	-2.0	-122.78	393.05	8.34	-114.44
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC2=N1	REAL300000500926	0	38	-2.0	-111.81	351.81	5.58	-106.23
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC2=N1	REAL300000500927	0	42	-2.0	-120.37	377.79	5.54	-114.83
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=CC2=N1	REAL300000500928	1	41	-2.0	-109.06	369.52	7.26	-101.80
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC2=N1	REAL300000500929	0	38	-2.0	-114.99	357.40	6.35	-108.64
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC2=N1	REAL300000500930	0	38	-2.0	-103.70	361.85	7.01	-96.69
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC2=N1	REAL300000500931	1	38	-2.0	-105.72	353.33	6.48	-99.24
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC2=N1	REAL300000500932	0	35	-2.0	-108.06	341.07	5.57	-102.49
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC2=N1	REAL300000500933	1	38	-2.0	-109.73	355.21	6.52	-103.21
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=CC2=N1	REAL300000500934	0	41	-2.0	-116.91	374.56	7.15	-109.76
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC2=N1	REAL300000500935	0	38	-2.0	-105.96	354.27	6.52	-99.44
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC2=N1	REAL300000500936	1	38	-2.0	-103.75	361.30	6.84	-96.91
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC2=N1	REAL300000500937	1	38	-2.0	-107.62	359.62	6.54	-101.08
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC2=N1	REAL300000500938	0	39	-2.0	-116.86	358.52	4.16	-112.70
C=CCN1C=C2C=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC2=N1	REAL300000500938	1	39	-2.0	-115.00	357.82	4.95	-110.05
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC2=N1	REAL300000500939	1	41	-2.0	-108.89	370.97	7.22	-101.67
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC2=N1	REAL300000500940	1	41	-2.0	-116.05	358.87	7.09	-108.96
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=CC2=N1	REAL300000500941	1	41	-2.0	-117.74	373.64	7.10	-110.64
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=CC2=N1	REAL300000500942	1	41	-2.0	-106.06	364.21	7.22	-98.84
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=CC2=N1	REAL300000500943	1	44	-2.0	-123.47	386.30	7.64	-115.83
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC2=N1	REAL300000500944	0	38	-2.0	-107.20	360.56	6.58	-100.62
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=CC2=N1	REAL300000500945	1	44	-2.0	-120.19	383.28	7.84	-112.35
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=CC2=N1	REAL300000500946	0	41	-2.0	-116.60	370.28	7.05	-109.55
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC2=N1	REAL300000500947	0	41	-2.0	-125.30	373.82	7.14	-118.16
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(CC)C(C(=O)[O-])=C3)=CC2=N1	REAL300000500948	1	44	-2.0	-120.87	383.04	7.64	-113.23
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CN(CC)C(C(=O)[O-])=C3)=CC2=N1	REAL300000500949	0	42	-2.0	-118.79	376.82	6.66	-112.13
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC2=N1	REAL300000500950	1	41	-2.0	-106.48	364.81	6.99	-99.49
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=CC2=N1	REAL300000500951	1	41	-2.0	-115.63	368.75	7.26	-108.37
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC2=N1	REAL300000500952	0	38	-2.0	-124.52	352.42	6.47	-118.05
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=CC2=N1	REAL300000500953	1	41	-2.0	-111.59	373.74	7.13	-104.46
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC2=N1	REAL300000500954	0	37	-2.0	-116.80	345.02	4.57	-112.23
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3OC)=CC2=N1	REAL300000500955	0	42	-2.0	-110.45	377.00	6.24	-104.21
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC2=N1	REAL300000500956	0	35	-2.0	-105.92	348.95	5.43	-100.49
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC2=N1	REAL300000500957	1	45	-2.0	-112.12	394.93	8.32	-103.80
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC2=N1	REAL300000500958	1	45	-2.0	-117.96	394.24	8.32	-109.64
C=CCN1C=C2C=CC([N-]S(=O)(=O)C3=C(CC)OC(C(=O)[O-])=C3)=CC2=N1	REAL300000500959	0	41	-2.0	-111.27	370.93	6.43	-104.84
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000500960	0	40	-2.0	-93.73	376.16	2.27	-91.46
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000500961	0	33	-2.0	-109.90	324.25	3.72	-106.18
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000500962	0	41	-2.0	-109.06	379.32	4.80	-104.26
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000500963	0	33	-2.0	-100.41	319.69	3.69	-96.72
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000500964	0	33	-2.0	-112.00	319.70	3.68	-108.32
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000500965	0	37	-2.0	-115.53	347.84	3.50	-112.03
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000500966	0	33	-2.0	-107.60	335.97	4.18	-103.42
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000500967	0	37	-2.0	-99.49	351.15	4.98	-94.51
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000500968	0	36	-2.0	-113.05	335.74	4.22	-108.83
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000500969	0	39	-2.0	-112.88	352.09	4.98	-107.90
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000500970	0	33	-2.0	-107.77	325.17	3.75	-104.02
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000500971	0	39	-2.0	-98.30	363.27	5.28	-93.02
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000500972	0	30	-2.0	-106.62	312.89	2.71	-103.91
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000500973	0	36	-2.0	-111.03	335.13	4.45	-106.58
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000500974	0	37	-2.0	-98.31	350.77	3.97	-94.34
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000500975	0	44	-2.0	-95.17	396.55	4.74	-90.43
C#CCCCC(=O)N[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000500976	0	30	-2.0	-102.41	329.92	3.46	-98.95
C#CCCCC(=O)[N-][N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000500976	1	29	-3.0	-198.92	326.73	2.67	-196.25
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000500977	0	34	-2.0	-110.88	326.35	3.04	-107.84
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000500978	0	37	-2.0	-111.84	343.91	2.49	-109.35
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000500979	0	33	-2.0	-102.93	328.82	3.37	-99.56
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000500980	0	39	-2.0	-112.10	351.16	5.00	-107.10
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000500981	0	30	-2.0	-107.94	311.35	2.73	-105.21
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000500982	0	41	-2.0	-112.98	378.03	3.50	-109.48
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000500983	0	37	-2.0	-118.02	346.99	3.75	-114.27
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000500984	0	43	-2.0	-114.81	374.95	6.20	-108.61
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000500985	0	42	-2.0	-112.95	373.60	5.67	-107.28
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000500986	0	39	-2.0	-108.85	349.84	5.21	-103.64
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000500987	0	40	-2.0	-117.46	370.13	4.25	-113.21
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000500988	0	35	-3.0	-187.37	348.12	4.25	-183.12
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000500989	0	40	-2.0	-115.16	363.95	5.57	-109.59
C#CCCCC(=O)N[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000500990	0	33	-2.0	-105.33	322.71	2.83	-102.50
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000500991	0	39	-2.0	-117.15	361.88	3.46	-113.69
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000500992	0	37	-2.0	-115.22	348.60	2.79	-112.43
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000500993	0	41	-2.0	-99.33	373.33	4.31	-95.02
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000500994	0	33	-2.0	-102.10	347.38	4.54	-97.56
C#CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000500994	1	32	-3.0	-201.02	344.20	3.76	-197.26
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000500995	0	37	-2.0	-96.92	366.81	4.51	-92.41
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000500996	0	40	-2.0	-98.78	370.86	4.68	-94.10
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000500997	0	43	-2.0	-97.59	399.45	4.94	-92.65
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000500998	0	36	-2.0	-102.50	340.41	4.49	-98.01
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000500999	0	46	-2.0	-98.61	413.30	5.61	-93.00
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000501000	0	37	-2.0	-98.03	357.01	4.03	-94.00
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000501001	0	40	-2.0	-118.63	368.84	4.66	-113.97
C#CCCCC(=O)N[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000501002	0	33	-2.0	-107.94	328.30	3.60	-104.34
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000501003	0	33	-2.0	-100.67	347.92	4.69	-95.98
C#CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000501003	1	32	-3.0	-198.67	344.74	3.90	-194.77
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000501004	0	33	-2.0	-98.01	332.75	4.23	-93.78
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000501005	0	33	-2.0	-97.53	336.10	4.36	-93.17
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000501006	0	33	-2.0	-100.22	324.22	3.73	-96.49
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000501007	0	30	-2.0	-101.77	311.97	2.82	-98.95
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000501008	0	33	-2.0	-103.21	326.12	3.75	-99.46
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000501009	0	36	-2.0	-109.18	345.46	4.39	-104.79
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000501010	0	37	-2.0	-102.81	360.01	4.29	-98.52
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000501011	0	33	-2.0	-99.84	325.16	3.76	-96.08
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000501012	0	33	-2.0	-98.06	332.20	4.09	-93.97
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000501013	0	36	-2.0	-103.96	349.14	4.87	-99.09
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000501014	0	41	-2.0	-96.31	383.44	5.10	-91.21
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000501015	0	33	-2.0	-97.60	335.93	4.18	-93.42
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000501016	0	35	-2.0	-97.65	347.90	4.36	-93.29
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000501017	0	34	-2.0	-109.07	329.41	1.41	-107.66
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000501017	1	33	-3.0	-206.11	325.85	2.29	-203.82
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000501018	0	36	-2.0	-102.29	341.87	4.47	-97.82
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000501019	0	33	-2.0	-103.17	340.41	4.22	-98.95
C#CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000501019	1	32	-3.0	-200.45	337.23	3.44	-197.01
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000501020	0	36	-2.0	-109.71	329.24	4.29	-105.42
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000501021	0	36	-2.0	-111.25	344.53	4.34	-106.91
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000501022	0	36	-2.0	-100.41	334.70	4.40	-96.01
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000501023	0	39	-2.0	-116.52	356.50	4.85	-111.67
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000501024	0	35	-2.0	-111.22	346.27	4.78	-106.44
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000501025	0	33	-2.0	-100.24	331.46	3.81	-96.43
C#CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000501025	1	32	-3.0	-199.80	328.28	3.03	-196.77
C#CCCCC(=O)N[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000501026	0	30	-2.0	-99.46	332.28	3.35	-96.11
C#CCCCC(=O)[N-][N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000501026	1	29	-3.0	-195.81	329.10	2.57	-193.24
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000501027	0	39	-2.0	-114.13	353.09	5.01	-109.12
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000501028	0	36	-2.0	-108.74	341.18	4.29	-104.45
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000501029	0	36	-2.0	-108.06	351.46	4.81	-103.25
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000501030	0	36	-2.0	-118.32	344.73	4.38	-113.94
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000501031	0	39	-2.0	-113.64	353.98	4.87	-108.77
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000501032	0	40	-2.0	-116.18	370.17	3.82	-112.36
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000501033	0	36	-2.0	-102.84	345.96	4.80	-98.04
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000501034	0	36	-2.0	-97.18	349.82	4.49	-92.69
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000501035	0	36	-2.0	-109.89	350.92	4.64	-105.25
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000501036	0	33	-2.0	-105.00	341.00	4.30	-100.70
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000501037	0	37	-2.0	-112.15	347.71	3.91	-108.24
C#CCCCC(=O)N[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000501038	0	45	-2.0	-114.29	384.85	6.56	-107.73
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000501039	0	33	-2.0	-99.17	345.30	4.24	-94.93
C#CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000501039	1	32	-3.0	-196.43	342.12	3.46	-192.97
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000501040	0	37	-2.0	-99.46	364.40	3.99	-95.47
C#CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000501040	1	36	-3.0	-195.57	361.22	3.21	-192.36
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000501041	0	36	-2.0	-105.46	349.58	4.65	-100.81
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000501042	0	37	-2.0	-111.95	360.02	4.30	-107.65
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000501043	0	36	-2.0	-100.44	335.71	4.23	-96.21
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000501044	0	38	-2.0	-106.32	360.42	5.75	-100.57
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000501045	0	36	-2.0	-108.82	339.66	4.49	-104.33
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000501046	0	35	-2.0	-120.50	343.43	5.54	-114.96
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000501047	0	33	-2.0	-117.58	323.36	3.72	-113.86
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000501048	0	36	-2.0	-103.86	340.88	4.26	-99.60
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000501049	0	39	-2.0	-120.29	360.74	5.81	-114.48
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000501050	0	32	-2.0	-107.23	316.69	1.74	-105.49
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000501051	0	37	-2.0	-104.16	347.90	3.49	-100.67
C#CCCCC(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000501052	0	30	-2.0	-99.91	319.84	2.66	-97.25
C#CCCCC(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000501052	1	29	-3.0	-194.44	316.66	1.88	-192.56
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000501053	0	37	-2.0	-107.58	363.49	4.24	-103.34
C#CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000501053	1	36	-3.0	-206.94	360.29	3.45	-203.49
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000501054	0	36	-2.0	-104.15	363.03	0.73	-103.42
C#CCCCC(=O)[N-][N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000501054	1	35	-3.0	-203.61	359.85	-0.05	-203.66
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000501055	0	40	-2.0	-106.49	363.68	5.51	-100.98
C#CCCCC(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000501056	0	40	-2.0	-111.70	365.14	5.57	-106.13
C#CCCCC(=O)N[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000501057	0	36	-2.0	-104.88	341.86	3.60	-101.28
COC(=O)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000501058	0	39	-2.0	-104.03	361.10	6.11	-97.92
COC(=O)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000501059	0	39	-2.0	-117.12	361.12	6.10	-111.02
COC(=O)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000501060	0	36	-2.0	-111.18	354.31	5.13	-106.05
COC(=O)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000501061	0	40	-2.0	-115.22	367.77	5.46	-109.76
COC(=O)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000501062	0	36	-2.0	-112.62	352.77	5.15	-107.47
COC(=O)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000501063	0	39	-2.0	-110.32	364.13	5.25	-105.07
COC(=O)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000501064	0	36	-2.0	-106.03	353.37	5.23	-100.80
COC(=O)C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000501065	0	38	-2.0	-114.11	358.11	4.16	-109.95
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000501066	0	32	-2.0	-102.19	322.02	4.95	-97.24
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000501067	0	32	-2.0	-92.40	317.46	4.92	-87.48
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000501068	0	32	-2.0	-104.59	317.49	4.91	-99.68
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000501069	0	36	-2.0	-110.20	345.63	4.71	-105.49
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000501070	0	36	-2.0	-92.11	348.94	6.21	-85.90
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000501071	0	35	-2.0	-105.70	333.51	5.44	-100.26
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000501072	0	32	-2.0	-100.50	330.56	5.49	-95.01
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000501073	0	32	-2.0	-100.47	329.99	5.31	-95.16
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000501074	0	38	-2.0	-108.01	350.15	6.26	-101.75
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000501075	0	32	-2.0	-102.01	322.95	4.98	-97.03
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000501076	0	38	-2.0	-91.33	361.07	6.49	-84.84
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000501077	0	29	-2.0	-98.95	310.68	3.93	-95.02
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000501078	0	35	-2.0	-105.86	332.92	5.70	-100.16
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000501079	0	36	-2.0	-90.74	348.55	5.20	-85.54
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000501080	0	33	-2.0	-102.98	324.14	4.26	-98.72
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000501081	0	36	-2.0	-106.60	341.27	3.75	-102.85
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000501082	0	32	-2.0	-95.18	326.59	4.60	-90.58
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000501083	0	38	-2.0	-107.02	348.94	6.23	-100.79
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000501084	0	29	-2.0	-100.36	309.14	3.95	-96.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(Cl)C=C2OC)C=C1C(=O)[O-]	REAL300000501085	0	36	-2.0	-110.44	344.78	4.98	-105.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(Cl)C=C1OC	REAL300000501086	0	38	-2.0	-104.14	347.61	6.64	-97.50
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000501087	0	39	-2.0	-109.90	361.73	6.81	-103.09
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000501088	0	32	-2.0	-98.89	320.50	4.05	-94.84
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000501089	0	36	-2.0	-105.34	346.47	4.00	-101.34
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000501090	0	35	-2.0	-96.43	338.20	5.73	-90.70
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000501091	0	32	-2.0	-102.14	327.18	4.80	-97.34
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000501092	0	32	-2.0	-89.97	330.54	5.49	-84.48
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000501093	0	32	-2.0	-91.93	322.00	4.96	-86.97
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000501094	0	29	-2.0	-93.96	309.75	4.04	-89.92
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000501095	0	32	-2.0	-95.55	323.90	4.98	-90.57
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000501096	0	35	-2.0	-103.45	343.24	5.62	-97.83
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000501097	0	32	-2.0	-91.71	322.95	4.99	-86.72
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000501098	0	32	-2.0	-90.01	329.97	5.32	-84.69
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000501099	0	32	-2.0	-93.83	328.31	5.01	-88.82
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000501100	0	33	-2.0	-104.72	327.20	2.62	-102.10
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000501101	0	35	-2.0	-96.06	339.67	5.68	-90.38
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000501102	0	35	-2.0	-100.52	327.52	5.54	-94.98
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000501103	0	35	-2.0	-103.47	342.32	5.57	-97.90
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000501104	0	35	-2.0	-92.64	332.90	5.69	-86.95
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000501105	0	38	-2.0	-107.52	350.95	6.00	-101.52
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000501106	0	32	-2.0	-93.71	329.22	5.04	-88.67
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000501107	0	38	-2.0	-105.06	351.02	6.33	-98.73
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000501108	0	35	-2.0	-104.28	342.80	5.61	-98.67
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000501109	0	35	-2.0	-108.94	342.53	5.61	-103.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(Cl)C=C2OC)C=C1C(=O)[O-]	REAL300000501110	0	38	-2.0	-106.37	351.42	6.10	-100.27
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(Cl)C=C2OC)C=C1C(=O)[O-]	REAL300000501111	0	36	-2.0	-104.17	345.44	5.12	-99.05
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000501112	0	35	-2.0	-92.47	333.49	5.46	-87.01
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000501113	0	35	-2.0	-103.65	337.02	5.74	-97.91
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000501114	0	32	-2.0	-108.26	321.11	4.93	-103.33
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000501115	0	35	-2.0	-96.31	338.65	5.48	-90.83
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000501116	0	31	-2.0	-102.07	314.46	2.98	-99.09
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000501117	0	36	-2.0	-96.55	345.69	4.71	-91.84
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000501118	0	29	-2.0	-92.64	317.59	3.88	-88.76
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000501119	0	39	-2.0	-99.05	363.61	6.79	-92.26
COC1=CC(Cl)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000501120	0	39	-2.0	-101.11	361.57	6.78	-94.33
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(Cl)C=C2OC)C=C(C(=O)[O-])O1	REAL300000501121	0	35	-2.0	-98.76	339.61	4.90	-93.86
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1OCC1=CC=CC=C1	REAL300000501122	0	45	-2.0	-103.34	400.67	9.22	-94.12
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1OCC1=CC=CC=C1	REAL300000501123	0	45	-2.0	-116.69	400.68	9.21	-107.48
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1OCC1=CC=CC=C1	REAL300000501124	0	44	-2.0	-115.09	396.89	7.33	-107.76
COC(=O)C1=CC=CC2=C1CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000501158	0	39	-2.0	-106.95	344.17	6.23	-100.72
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000501178	1	42	-2.0	-123.11	371.04	6.97	-116.14
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000501179	1	42	-2.0	-112.82	366.49	6.95	-105.87
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000501180	1	42	-2.0	-126.06	366.51	6.94	-119.12
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000501181	1	45	-2.0	-127.48	382.53	7.48	-120.00
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000501182	0	42	-2.0	-122.48	371.99	7.01	-115.47
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000501183	0	39	-2.0	-120.01	359.69	5.96	-114.05
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C21	REAL300000501184	1	45	-2.0	-125.19	381.94	7.73	-117.46
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C21	REAL300000501185	0	43	-2.0	-124.49	373.15	6.29	-118.20
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C21	REAL300000501186	0	42	-2.0	-116.08	375.63	6.63	-109.45
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000501187	0	39	-2.0	-121.53	358.16	5.98	-115.55
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C21	REAL300000501188	0	42	-2.0	-118.26	369.52	6.08	-112.18
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C21	REAL300000501189	0	42	-2.0	-121.50	375.11	6.83	-114.67
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000501190	1	42	-2.0	-112.07	371.02	6.98	-105.09
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000501191	0	39	-2.0	-114.72	358.78	6.07	-108.65
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000501192	1	42	-2.0	-116.60	372.91	7.01	-109.59
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000501193	0	42	-2.0	-112.76	371.97	7.01	-105.75
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000501194	0	43	-2.0	-123.27	376.23	4.65	-118.62
CCC(=O)N1CCC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000501194	1	43	-2.0	-118.29	365.24	5.53	-112.76
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000501195	1	45	-2.0	-115.65	388.68	7.73	-107.92
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C21	REAL300000501196	1	45	-2.0	-123.56	376.58	7.57	-115.99
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CN(CC)C(C(=O)[O-])=C3)C=C21	REAL300000501198	0	46	-2.0	-125.80	394.53	7.16	-118.64
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C21	REAL300000501199	1	45	-2.0	-113.14	382.51	7.49	-105.65
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000501200	0	42	-2.0	-132.23	370.17	6.98	-125.25
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000501201	0	41	-2.0	-121.54	363.50	5.00	-116.54
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000501202	0	39	-2.0	-112.43	366.66	5.92	-106.51
CCC(=O)N1CCC2=CC=C([N-]S(=O)(=O)C3=C(CC)OC(C(=O)[O-])=C3)C=C21	REAL300000501203	0	45	-2.0	-117.66	388.64	6.93	-110.73
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1	REAL300000501204	0	42	-2.0	-90.67	373.50	3.29	-87.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC=C1F	REAL300000501205	0	35	-2.0	-106.80	321.57	4.74	-102.06
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC2)N=C1	REAL300000501206	0	43	-2.0	-108.49	376.66	5.81	-102.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1	REAL300000501207	0	35	-2.0	-96.97	317.02	4.71	-92.26
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501208	0	35	-2.0	-109.47	317.04	4.70	-104.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC2)N=C1	REAL300000501209	0	39	-2.0	-115.43	345.18	4.51	-110.92
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1	REAL300000501210	0	39	-2.0	-96.64	348.49	6.00	-90.64
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000501211	0	38	-2.0	-111.87	337.11	5.34	-106.53
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501212	0	35	-2.0	-105.51	330.11	5.27	-100.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC=C1Cl	REAL300000501213	0	35	-2.0	-105.17	329.54	5.09	-100.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C(Cl)C=C1Cl	REAL300000501214	0	35	-2.0	-101.14	342.60	5.65	-95.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1C	REAL300000501215	0	41	-2.0	-112.89	349.43	6.02	-106.87
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501216	0	35	-2.0	-107.00	322.51	4.76	-102.24
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1	REAL300000501217	0	41	-2.0	-96.02	360.60	6.29	-89.73
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501218	0	32	-2.0	-103.72	310.22	3.73	-99.99
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC2)N=C1	REAL300000501219	0	38	-2.0	-110.98	332.47	5.49	-105.49
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1	REAL300000501220	0	39	-2.0	-95.35	348.11	4.98	-90.37
CN1C=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000501221	0	36	-2.0	-107.96	323.68	4.06	-103.90
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC2)N=C1	REAL300000501222	0	39	-2.0	-111.32	341.24	3.52	-107.80
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501223	0	35	-2.0	-99.76	326.15	4.38	-95.38
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000501224	0	41	-2.0	-112.46	348.10	6.05	-106.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CS1	REAL300000501225	0	32	-2.0	-105.02	308.69	3.74	-101.28
COC1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000501226	0	43	-2.0	-109.66	375.35	4.52	-105.14
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000501227	0	39	-2.0	-115.33	344.33	4.77	-110.56
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501228	0	45	-2.0	-114.89	372.28	7.35	-107.54
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC2)N=C1	REAL300000501229	0	44	-2.0	-113.17	370.94	6.71	-106.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC2)N=C1	REAL300000501230	0	41	-2.0	-109.40	347.19	6.41	-102.99
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC2)N=C1	REAL300000501231	0	42	-2.0	-115.41	367.47	5.28	-110.13
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501232	0	37	-3.0	-183.72	345.46	5.27	-178.45
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501233	0	42	-2.0	-115.18	361.28	6.60	-108.58
CC1=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000501234	0	35	-2.0	-103.66	320.04	3.85	-99.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC2=C1OCCO2	REAL300000501235	0	41	-2.0	-114.28	359.20	4.49	-109.79
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501236	0	39	-2.0	-110.26	346.02	3.81	-106.45
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN(C4CCC4)N=C3)C=C2C1	REAL300000501237	0	43	-2.0	-95.95	369.95	5.30	-90.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC(Cl)=C1Cl	REAL300000501238	0	35	-2.0	-98.92	344.71	5.55	-93.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C(Cl)C=C1F	REAL300000501239	0	35	-2.0	-102.26	334.62	5.30	-96.96
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1Cl	REAL300000501240	0	39	-2.0	-93.88	364.13	5.52	-88.36
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC=C1OCC(=O)[O-]	REAL300000501241	0	42	-2.0	-95.81	368.19	5.69	-90.12
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1F	REAL300000501242	0	45	-2.0	-94.71	396.78	5.95	-88.76
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC2)N=C1	REAL300000501243	0	38	-2.0	-101.31	337.75	5.51	-95.80
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000501244	0	48	-2.0	-96.02	410.63	6.62	-89.40
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1F	REAL300000501245	0	39	-2.0	-94.80	354.33	5.05	-89.75
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000501246	0	42	-2.0	-115.96	366.17	5.68	-110.28
CC1=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C(C(=O)[O-])S1	REAL300000501247	0	35	-2.0	-107.17	326.73	4.59	-102.58
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501248	0	35	-2.0	-99.23	345.25	5.73	-93.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C(Cl)=C1	REAL300000501249	0	35	-2.0	-94.53	330.09	5.27	-89.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1F	REAL300000501250	0	35	-2.0	-96.43	321.56	4.75	-91.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)S1	REAL300000501251	0	32	-2.0	-98.50	309.31	3.83	-94.67
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501252	0	35	-2.0	-100.30	323.44	4.76	-95.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1F	REAL300000501253	0	38	-2.0	-108.42	342.79	5.40	-103.02
COC1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000501254	0	39	-2.0	-99.19	357.34	5.34	-93.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C(F)=C1	REAL300000501255	0	35	-2.0	-96.20	322.50	4.78	-91.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1Cl	REAL300000501256	0	35	-2.0	-94.53	329.53	5.11	-89.42
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC2)N=C1	REAL300000501257	0	38	-2.0	-103.13	346.49	5.90	-97.23
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1	REAL300000501258	0	43	-2.0	-93.44	380.78	6.11	-87.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC(F)=C1F	REAL300000501259	0	35	-2.0	-98.36	327.85	4.80	-93.56
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501260	0	37	-2.0	-94.35	345.23	5.37	-88.98
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501261	0	36	-2.0	-110.05	326.75	2.42	-107.63
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1	REAL300000501262	0	38	-2.0	-100.85	339.20	5.48	-95.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC(Cl)=C1F	REAL300000501263	0	35	-2.0	-99.85	337.74	5.24	-94.61
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2CCC2)N=C1	REAL300000501264	0	38	-2.0	-105.11	327.09	5.33	-99.78
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000501265	0	38	-2.0	-108.36	341.87	5.35	-103.01
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CCC2)N=C1	REAL300000501266	0	38	-2.0	-97.29	332.45	5.48	-91.81
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000501267	0	41	-2.0	-113.76	353.84	5.87	-107.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC=C1[N+](=O)[O-]	REAL300000501268	0	37	-2.0	-107.51	343.59	5.79	-101.72
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501269	0	35	-2.0	-98.39	328.79	4.82	-93.57
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000501270	0	41	-2.0	-109.29	351.51	6.08	-103.21
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000501271	0	38	-2.0	-109.25	342.35	5.40	-103.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1Cl	REAL300000501272	0	38	-2.0	-107.39	348.80	5.84	-101.55
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501273	0	38	-2.0	-113.57	342.05	5.40	-108.17
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000501274	0	41	-2.0	-111.24	351.00	5.88	-105.36
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1CC(=O)[O-]	REAL300000501275	0	42	-2.0	-111.39	367.50	4.83	-106.56
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C2CCC2)N=C1	REAL300000501276	0	38	-2.0	-99.35	347.57	5.96	-93.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1C(F)(F)F	REAL300000501277	0	38	-2.0	-93.53	347.15	5.52	-88.01
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000501278	0	38	-2.0	-107.13	348.26	5.66	-101.47
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000501279	0	39	-2.0	-109.25	345.06	4.93	-104.32
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C(C)=C1CC(=O)[O-]	REAL300000501280	0	47	-2.0	-109.17	382.19	7.58	-101.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C(F)C(Cl)=C1F	REAL300000501281	0	35	-2.0	-97.21	342.62	5.26	-91.95
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000501282	0	38	-2.0	-103.79	350.77	5.77	-98.02
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C(C(=O)[O-])S1	REAL300000501283	0	44	-2.0	-107.05	366.49	6.83	-100.22
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000501284	0	39	-2.0	-111.17	357.36	5.35	-105.82
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000501285	0	38	-2.0	-97.11	333.04	5.24	-91.87
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C([N+](=O)[O-])=C1	REAL300000501286	0	40	-2.0	-101.44	360.30	6.90	-94.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC2)N=C1	REAL300000501287	0	38	-2.0	-108.29	336.99	5.51	-102.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1[N+](=O)[O-]	REAL300000501288	0	37	-2.0	-115.78	340.77	6.56	-109.22
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1F	REAL300000501289	0	35	-2.0	-112.70	320.70	4.73	-107.97
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000501290	0	38	-2.0	-101.95	341.97	5.38	-96.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=CC2=CC=CC=C21	REAL300000501291	0	41	-2.0	-117.45	358.08	6.84	-110.61
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C1	REAL300000501292	0	34	-2.0	-106.97	313.26	2.82	-104.15
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CCC2)N=C1	REAL300000501293	0	39	-2.0	-101.25	345.24	4.51	-96.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)=C(Cl)O1	REAL300000501294	0	32	-2.0	-97.43	317.18	3.68	-93.75
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(C4CCC4)N=C3)C=C2)CC1	REAL300000501295	0	42	-2.0	-103.86	363.16	6.59	-97.27
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(C4CCC4)N=C3)C=C2C1	REAL300000501296	0	42	-2.0	-106.46	362.47	6.59	-99.87
CCC1=C(S(=O)(=O)[N-]C2=CN(C3CCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000501297	0	38	-2.0	-103.72	339.17	4.70	-99.02
CCOC(=O)C1=C2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CN2N=C1	REAL300000501298	1	40	-2.0	-94.63	369.00	6.38	-88.25
CCOC(=O)C1=C2C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CN2N=C1	REAL300000501299	0	40	-2.0	-105.86	369.01	6.36	-99.50
CCOC(=O)C1=C2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CN2N=C1	REAL300000501300	0	37	-2.0	-100.59	362.19	5.38	-95.21
CCOC(=O)C1=C2C=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=CN2N=C1	REAL300000501301	0	41	-2.0	-104.53	375.65	5.71	-98.82
CCOC(=O)C1=C2C=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CN2N=C1	REAL300000501302	0	37	-2.0	-102.05	360.66	5.40	-96.65
CCOC(=O)C1=C2C=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=CN2N=C1	REAL300000501303	0	40	-2.0	-99.48	372.02	5.50	-93.98
CCOC(=O)C1=C2C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CN2N=C1	REAL300000501304	0	37	-2.0	-96.01	361.28	5.48	-90.53
CCOC(=O)C1=C2C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CN2N=C1	REAL300000501305	0	39	-2.0	-101.02	366.00	4.42	-96.60
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2N1	REAL300000501310	0	37	-2.0	-102.92	354.09	4.51	-98.41
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2[N-]1	REAL300000501310	1	36	-3.0	-176.10	350.67	4.08	-172.02
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2N1	REAL300000501311	0	34	-2.0	-100.88	341.80	3.47	-97.41
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2[N-]1	REAL300000501311	1	33	-3.0	-172.52	338.37	3.04	-169.48
COC(=O)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2N1	REAL300000501311	1	34	-2.0	-97.26	341.65	3.46	-93.80
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000501313	0	38	-2.0	-104.97	355.26	3.80	-101.17
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC=C2N1	REAL300000501314	0	37	-2.0	-97.25	357.74	4.13	-93.12
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC=C2[N-]1	REAL300000501314	1	36	-3.0	-168.00	354.32	3.71	-164.29
COC(=O)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2N1	REAL300000501314	1	37	-2.0	-93.68	357.58	4.13	-89.55
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2N1	REAL300000501315	0	34	-2.0	-102.27	340.27	3.49	-98.78
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000501316	0	37	-2.0	-100.24	351.62	3.59	-96.65
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C2N1	REAL300000501317	0	37	-2.0	-103.24	357.22	4.34	-98.90
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2N1	REAL300000501319	0	34	-2.0	-96.06	340.89	3.58	-92.48
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2[N-]1	REAL300000501319	1	33	-3.0	-166.61	337.45	3.15	-163.46
COC(=O)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2N1	REAL300000501319	1	34	-2.0	-92.52	340.74	3.57	-88.95
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2N1	REAL300000501321	0	37	-2.0	-93.88	354.08	4.52	-89.36
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)OC)=NC3=C2)C=C1C(=O)[O-]	REAL300000501326	0	41	-2.0	-106.23	376.64	4.67	-101.56
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2N1	REAL300000501328	0	37	-2.0	-111.16	352.23	4.47	-106.69
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2N1	REAL300000501329	0	36	-2.0	-103.87	344.83	2.58	-101.29
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2[N-]1	REAL300000501329	1	35	-3.0	-174.57	342.18	2.07	-172.50
COC(=O)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2N1	REAL300000501329	1	36	-2.0	-100.08	344.69	2.57	-97.51
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000501330	0	34	-2.0	-94.51	348.76	3.43	-91.08
COC(=O)C1=NC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2[N-]1	REAL300000501330	1	33	-3.0	-164.23	345.33	2.99	-161.24
COC(=O)C1=NC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2N1	REAL300000501330	1	34	-2.0	-91.23	348.62	3.43	-87.80
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)OC)=NC3=C2)C=C(C(=O)[O-])O1	REAL300000501331	0	40	-2.0	-99.95	370.75	4.44	-95.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)NC3=CC=CC=C32)C=C1	REAL300000501332	0	42	-2.0	-105.60	373.20	8.73	-96.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)NC3=CC=CC=C32)=C1	REAL300000501333	0	42	-2.0	-119.95	373.20	8.72	-111.23
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)NC3=CC=CC=C32)=C1	REAL300000501334	0	39	-2.0	-113.72	366.38	7.75	-105.97
CN1C=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)NC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000501335	0	43	-2.0	-117.78	379.85	8.07	-109.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)NC3=CC=CC=C32)=CS1	REAL300000501336	0	39	-2.0	-115.00	364.85	7.76	-107.24
CC1=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)NC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000501337	0	42	-2.0	-112.87	376.21	7.87	-105.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)NC3=CC=CC=C32)S1	REAL300000501338	0	39	-2.0	-107.69	365.47	7.85	-99.84
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(C3=CC=CC=C3)NC3=CC=CC=C32)=C1	REAL300000501339	0	41	-2.0	-118.00	369.31	6.84	-111.16
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1S(=O)(=O)N(C)C	REAL300000501340	1	42	-2.0	-97.72	368.33	3.48	-94.24
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1S(=O)(=O)N(C)C	REAL300000501341	1	42	-2.0	-111.13	368.53	3.46	-107.67
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1S(=O)(=O)N(C)C	REAL300000501342	0	41	-2.0	-106.26	374.94	2.11	-104.15
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C2CC2)=C1	REAL300000501343	1	43	-2.0	-81.62	390.79	6.14	-75.48
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C2CC2)=C1	REAL300000501344	1	36	-2.0	-97.67	338.85	7.59	-90.08
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C1CC1	REAL300000501345	0	44	-2.0	-98.29	393.94	8.64	-89.65
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C2CC2)=C1	REAL300000501346	1	36	-2.0	-88.04	334.30	7.57	-80.47
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C2CC2)=C1	REAL300000501347	1	36	-2.0	-99.69	334.31	7.56	-92.13
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C1CC1	REAL300000501348	0	40	-2.0	-104.98	362.46	7.35	-97.63
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C2CC2)=C1	REAL300000501349	1	40	-2.0	-87.48	365.78	8.85	-78.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)C=C1C(=O)[O-]	REAL300000501350	1	39	-2.0	-106.39	362.75	6.99	-99.40
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C2CC2)=C1	REAL300000501351	0	36	-2.0	-95.69	347.38	8.13	-87.56
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C2CC2)=C1	REAL300000501352	1	36	-2.0	-95.81	346.82	7.95	-87.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)=C1C	REAL300000501353	1	42	-2.0	-102.71	367.42	8.89	-93.82
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C2CC2)=C1	REAL300000501354	0	36	-2.0	-97.15	339.77	7.62	-89.53
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C2CC2)=C1	REAL300000501355	1	42	-2.0	-86.50	377.89	9.15	-77.35
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C2CC2)=C1	REAL300000501356	0	33	-2.0	-94.47	327.49	6.57	-87.90
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C1CC1	REAL300000501357	1	39	-2.0	-100.88	349.75	8.34	-92.54
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C2CC2)=C1	REAL300000501358	1	40	-2.0	-86.07	365.39	7.84	-78.23
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)C=C1C(=O)[O-]	REAL300000501359	0	37	-2.0	-98.14	340.96	6.91	-91.23
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)=C1	REAL300000501361	0	36	-2.0	-90.74	343.42	7.24	-83.50
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)C=C1C(=O)[O-]	REAL300000501362	1	42	-2.0	-101.92	365.76	8.88	-93.04
N#CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C2CC2)=C1	REAL300000501363	0	33	-2.0	-95.78	325.97	6.60	-89.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)C=C1C(=O)[O-]	REAL300000501364	1	40	-2.0	-105.61	361.60	7.62	-97.99
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(C2CC2)=C1	REAL300000501365	1	46	-2.0	-104.41	389.54	10.19	-94.22
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C1CC1	REAL300000501366	1	45	-2.0	-102.81	388.21	9.57	-93.24
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C1CC1	REAL300000501367	1	42	-2.0	-99.29	361.14	9.15	-90.14
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C1CC1	REAL300000501368	0	43	-2.0	-104.77	384.75	8.12	-96.65
N#CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C2CC2)=C1	REAL300000501369	0	39	-2.0	-107.67	361.84	8.04	-99.63
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C2CC2)=C1	REAL300000501369	1	38	-3.0	-174.59	362.71	8.12	-166.47
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C2CC2)=C1	REAL300000501370	1	43	-2.0	-104.80	378.55	9.45	-95.35
CC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)C=C(C(=O)[O-])O1	REAL300000501371	0	36	-2.0	-94.42	337.33	6.70	-87.72
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C(C2CC2)=C1	REAL300000501373	1	44	-2.0	-87.07	387.95	8.17	-78.90
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(C2CC2)=C1	REAL300000501374	0	36	-2.0	-92.67	351.91	8.14	-84.53
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)=CC=C1OCC(=O)[O-]	REAL300000501375	1	43	-2.0	-86.47	385.47	8.55	-77.92
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C1CC1	REAL300000501376	1	39	-2.0	-91.79	355.03	8.38	-83.41
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C2CC2)=C1	REAL300000501377	1	40	-2.0	-85.87	371.61	7.90	-77.97
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)C=C1C(=O)[O-]	REAL300000501378	1	43	-2.0	-105.98	383.45	8.53	-97.45
CC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)C=C(C(=O)[O-])S1	REAL300000501379	0	36	-2.0	-97.54	344.00	7.45	-90.09
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C2CC2)=C1	REAL300000501380	0	36	-2.0	-85.60	347.35	8.12	-77.48
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C2CC2)=C1	REAL300000501381	1	36	-2.0	-87.74	338.83	7.60	-80.14
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C2CC2)=C1	REAL300000501382	0	33	-2.0	-89.60	326.56	6.69	-82.91
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C2CC2)=C1	REAL300000501383	1	36	-2.0	-90.91	340.72	7.62	-83.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)=C1F	REAL300000501384	0	39	-2.0	-98.44	360.06	8.26	-90.18
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C2CC2)=C1	REAL300000501385	0	36	-2.0	-87.30	339.77	7.63	-79.67
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C2CC2)=C1	REAL300000501386	1	36	-2.0	-85.69	346.80	7.96	-77.73
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C1CC1	REAL300000501387	1	39	-2.0	-93.39	363.76	8.77	-84.62
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(C2CC2)=C1	REAL300000501388	1	44	-2.0	-84.29	398.06	8.97	-75.32
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C2CC2)=C1	REAL300000501389	1	36	-2.0	-89.45	345.14	7.65	-81.80
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C2CC2)=C1	REAL300000501390	0	38	-2.0	-85.28	362.50	8.23	-77.05
N#CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C2CC2)=C1	REAL300000501391	0	37	-2.0	-101.09	338.43	6.11	-94.98
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C2CC2)=C1	REAL300000501391	1	37	-2.0	-99.87	344.02	5.27	-94.60
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C2CC2)=C1	REAL300000501392	1	39	-2.0	-91.44	356.49	8.34	-83.10
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(C2CC2)=C1	REAL300000501393	1	36	-2.0	-90.82	355.02	8.09	-82.73
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C1CC1	REAL300000501394	1	39	-2.0	-95.75	344.38	8.20	-87.55
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)=CC(C(=O)[O-])=C1F	REAL300000501395	1	39	-2.0	-98.89	359.15	8.21	-90.68
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C1CC1	REAL300000501396	1	39	-2.0	-88.25	349.71	8.33	-79.92
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)=CC(C(=O)[O-])=C1C	REAL300000501397	1	42	-2.0	-103.89	371.11	8.73	-95.16
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C2CC2)=C1	REAL300000501398	0	38	-2.0	-98.82	360.88	8.65	-90.17
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C2CC2)=C1	REAL300000501399	0	36	-2.0	-89.01	346.04	7.68	-81.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)C(C)=C1C(=O)[O-]	REAL300000501400	1	42	-2.0	-102.74	374.92	8.12	-94.62
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)C=C1C(=O)[O-]	REAL300000501401	0	39	-2.0	-99.32	359.62	8.25	-91.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)=C1Cl	REAL300000501402	0	39	-2.0	-97.36	366.07	8.69	-88.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)C=C1C(=O)[O-]	REAL300000501404	1	42	-2.0	-101.49	368.55	8.74	-92.75
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)C=C1CC(=O)[O-]	REAL300000501405	1	43	-2.0	-101.42	384.78	7.69	-93.73
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C1CC1	REAL300000501406	1	39	-2.0	-89.27	360.57	8.72	-80.55
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)=CC(C(=O)[O-])=C1Cl	REAL300000501407	1	39	-2.0	-97.53	365.54	8.52	-89.01
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)C=C1C(=O)[O-]	REAL300000501408	0	40	-2.0	-99.38	362.34	7.78	-91.60
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)C=C1C(=O)[O-]	REAL300000501410	1	39	-2.0	-97.76	373.62	7.25	-90.51
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)=CC=C1C(=O)[O-]	REAL300000501411	1	39	-2.0	-88.04	350.32	8.10	-79.94
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C1CC1	REAL300000501412	1	39	-2.0	-99.00	353.84	8.40	-90.60
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C2CC2)=C1	REAL300000501413	0	38	-2.0	-106.44	358.04	9.43	-97.01
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C2CC2)=C1	REAL300000501414	0	36	-2.0	-103.23	337.97	7.59	-95.64
N#CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C2CC2)=C1	REAL300000501416	1	42	-2.0	-107.51	375.36	9.69	-97.82
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C2CC2)=C1	REAL300000501417	0	35	-2.0	-97.36	330.52	5.68	-91.68
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1C1CC1	REAL300000501418	0	40	-2.0	-91.84	362.51	7.35	-84.49
N#CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C2CC2)=C1	REAL300000501419	0	33	-2.0	-88.47	334.45	6.54	-81.93
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C2CC2)=C1	REAL300000501420	1	43	-2.0	-94.27	380.44	9.44	-84.83
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C2CC2)=C1	REAL300000501421	1	43	-2.0	-96.71	379.74	9.44	-87.27
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2C2CC2)C=C(C(=O)[O-])O1	REAL300000501422	0	39	-2.0	-94.18	354.64	7.50	-86.68
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501423	0	42	-2.0	-140.47	376.84	5.09	-135.38
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000501424	1	41	-2.0	-135.33	357.98	4.28	-131.05
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000501426	0	36	-2.0	-145.98	330.56	4.71	-141.27
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000501427	0	38	-3.0	-190.40	355.53	4.14	-186.26
COC1=CC(OC)=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000501427	1	39	-2.0	-120.47	355.50	4.11	-116.36
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000501428	0	35	-2.0	-125.33	333.93	3.07	-122.26
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000501429	0	37	-2.0	-132.91	342.89	4.82	-128.09
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000501430	0	37	-2.0	-128.03	342.88	4.83	-123.20
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000501431	0	36	-2.0	-132.77	344.29	5.02	-127.75
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000501432	0	37	-2.0	-144.24	340.13	4.72	-139.52
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000501433	0	38	-3.0	-202.75	355.06	5.03	-197.72
COC1=CC(OC)=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000501433	1	39	-2.0	-146.75	354.98	4.99	-141.76
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300000501434	0	41	-2.0	-134.29	366.27	5.62	-128.67
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)NN=C1C	REAL300000501435	0	39	-2.0	-129.82	338.31	2.26	-127.56
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000501436	0	46	-2.0	-139.85	384.77	6.93	-132.92
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000501437	0	38	-3.0	-190.27	350.51	5.01	-185.26
COC1=CC(OC)=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000501437	1	39	-2.0	-115.93	350.45	4.97	-110.96
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501438	0	44	-2.0	-147.29	379.80	3.52	-143.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1OC	REAL300000501439	0	44	-2.0	-134.90	380.81	3.65	-131.25
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000501440	0	43	-2.0	-139.93	367.60	6.34	-133.59
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)ON=C1C	REAL300000501441	0	38	-2.0	-124.17	336.99	3.36	-120.81
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000501442	0	38	-3.0	-207.31	350.52	5.00	-202.31
COC1=CC(OC)=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000501442	1	39	-2.0	-108.81	350.56	4.96	-103.85
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000501443	0	36	-2.0	-125.32	334.78	4.55	-120.77
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1	REAL300000501444	0	39	-2.0	-138.88	343.46	5.10	-133.78
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000501446	0	36	-2.0	-133.46	338.79	4.95	-128.51
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300000501447	0	41	-2.0	-135.04	362.54	4.83	-130.21
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C	REAL300000501448	0	42	-2.0	-139.10	358.96	5.88	-133.22
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C)=C1	REAL300000501449	0	42	-2.0	-139.84	360.48	5.63	-134.21
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000501450	0	36	-2.0	-125.73	344.67	5.00	-120.73
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300000501451	0	41	-2.0	-147.83	362.55	4.82	-143.01
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C	REAL300000501452	1	42	-2.0	-138.23	358.96	5.88	-132.35
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501453	0	42	-2.0	-151.17	367.30	5.83	-145.34
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300000501454	0	48	-2.0	-137.07	398.27	6.75	-130.32
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300000501455	0	45	-2.0	-137.08	382.29	6.36	-130.72
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1	REAL300000501456	0	48	-2.0	-136.88	400.74	7.02	-129.86
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000501457	0	33	-2.0	-128.41	331.04	4.06	-124.35
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1	REAL300000501458	0	45	-2.0	-137.14	386.47	6.65	-130.49
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501459	0	40	-2.0	-145.56	350.32	4.23	-141.33
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000501460	0	41	-3.0	-209.26	366.54	5.53	-203.73
COC1=CC(OC)=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000501460	1	42	-2.0	-147.85	366.41	5.49	-142.36
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000501461	0	36	-2.0	-128.93	340.12	4.63	-124.30
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000501462	0	36	-2.0	-138.05	335.19	5.00	-133.05
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000501463	0	38	-2.0	-133.20	350.28	5.10	-128.10
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300000501464	0	41	-2.0	-134.41	365.77	5.88	-128.53
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000501465	0	33	-2.0	-135.19	313.99	3.44	-131.75
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1	REAL300000501466	1	40	-2.0	-134.77	351.57	3.73	-131.04
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000501467	0	38	-2.0	-148.33	343.16	5.86	-142.47
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1	REAL300000501468	0	39	-2.0	-138.04	343.48	5.11	-132.93
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1	REAL300000501469	1	43	-2.0	-134.41	373.41	4.65	-129.76
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000501470	0	36	-2.0	-131.84	333.97	4.57	-127.27
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000501471	0	36	-2.0	-133.58	328.47	4.50	-129.08
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000501472	0	36	-2.0	-126.33	334.88	4.58	-121.75
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300000501473	0	48	-2.0	-137.98	385.58	7.13	-130.85
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000501474	0	42	-2.0	-136.99	366.54	3.59	-133.40
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300000501475	1	45	-2.0	-137.99	373.90	6.80	-131.19
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000501476	0	36	-2.0	-129.87	338.80	4.95	-124.92
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000501477	0	38	-2.0	-123.04	350.29	5.10	-117.94
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000501478	0	36	-2.0	-138.01	322.05	4.43	-133.58
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300000501479	0	43	-2.0	-143.28	378.43	3.34	-139.94
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)S1	REAL300000501480	0	36	-2.0	-136.48	335.89	4.24	-132.24
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000501481	0	38	-3.0	-206.55	355.98	5.06	-201.49
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300000501482	0	41	-2.0	-130.26	360.30	5.71	-124.55
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000501483	0	36	-2.0	-136.53	333.95	4.57	-131.96
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000501484	0	40	-2.0	-130.95	357.81	1.26	-129.69
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(SC)C=C1	REAL300000501485	0	40	-2.0	-134.62	362.27	5.46	-129.16
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000501486	0	41	-2.0	-132.63	364.09	2.88	-129.75
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000501487	0	35	-3.0	-199.09	343.70	4.01	-195.08
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000501488	0	39	-2.0	-130.22	353.81	1.94	-128.28
COC(=O)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501489	1	38	-2.0	-129.11	340.74	3.01	-126.10
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000501490	0	41	-3.0	-210.15	365.96	5.79	-204.36
COC1=CC(OC)=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000501490	1	42	-2.0	-145.73	366.95	5.83	-139.90
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300000501491	0	42	-2.0	-133.86	358.76	3.47	-130.39
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1	REAL300000501492	0	42	-2.0	-130.83	376.84	5.10	-125.73
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1	REAL300000501493	0	43	-2.0	-135.30	378.50	2.72	-132.58
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000501494	0	40	-2.0	-135.26	356.57	1.22	-134.04
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1	REAL300000501495	0	42	-2.0	-137.42	364.96	5.87	-131.55
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000501496	0	42	-2.0	-140.67	368.01	6.71	-133.96
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1	REAL300000501497	0	46	-2.0	-135.98	398.64	4.94	-131.04
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C(C)=C1	REAL300000501498	1	46	-2.0	-134.13	381.65	5.39	-128.74
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300000501499	0	48	-2.0	-137.57	403.23	7.12	-130.45
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000501500	0	36	-2.0	-128.98	328.47	4.50	-124.48
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000501501	0	36	-2.0	-142.06	327.55	4.50	-137.56
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501502	0	42	-2.0	-153.50	376.20	2.93	-150.57
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1	REAL300000501503	1	46	-2.0	-133.89	394.91	5.45	-128.44
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1Cl	REAL300000501504	0	39	-2.0	-137.76	356.60	5.67	-132.09
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C	REAL300000501505	0	39	-2.0	-129.18	343.94	5.28	-123.90
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000501506	0	36	-2.0	-128.49	341.59	5.07	-123.42
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000501508	0	39	-3.0	-204.05	357.17	4.35	-199.70
COC1=CC(OC)=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000501508	1	40	-2.0	-109.30	358.84	4.36	-104.94
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000501509	0	36	-2.0	-143.45	340.55	3.95	-139.50
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000501510	0	41	-2.0	-133.40	364.01	0.60	-132.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1F	REAL300000501511	0	40	-2.0	-132.03	357.79	3.81	-128.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1C	REAL300000501512	1	43	-2.0	-135.98	371.63	4.47	-131.51
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1C	REAL300000501513	1	46	-2.0	-135.57	393.50	5.40	-130.17
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1	REAL300000501514	0	43	-2.0	-130.62	372.67	1.88	-128.74
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000501515	0	36	-2.0	-132.08	326.61	2.14	-129.94
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300000501516	0	41	-2.0	-123.26	365.77	5.88	-117.38
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=CN1C	REAL300000501518	0	44	-2.0	-134.03	385.94	2.09	-131.94
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300000501519	0	39	-2.0	-134.11	354.28	5.73	-128.38
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOC1=CC=C(F)C=C1	REAL300000501520	1	43	-2.0	-127.81	381.57	4.86	-122.95
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300000501521	1	46	-2.0	-135.52	395.64	5.32	-130.20
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000501522	0	37	-2.0	-124.24	358.28	5.25	-118.99
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000501523	0	37	-2.0	-124.99	358.27	5.25	-119.74
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000501524	0	40	-2.0	-141.24	360.42	4.81	-136.43
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300000501525	0	39	-2.0	-134.21	357.54	5.54	-128.67
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000501526	0	36	-2.0	-137.46	343.72	5.00	-132.46
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300000501527	0	39	-2.0	-133.88	348.79	5.14	-128.74
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300000501528	0	39	-2.0	-130.13	354.27	5.72	-124.41
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000501529	0	39	-2.0	-142.55	348.96	5.17	-137.38
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C	REAL300000501530	0	39	-2.0	-134.39	343.95	5.28	-129.11
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCCl)C=C1	REAL300000501531	0	42	-2.0	-135.83	382.12	6.50	-129.33
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300000501532	0	41	-2.0	-149.21	355.69	6.69	-142.52
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000501533	0	35	-3.0	-201.10	342.17	4.03	-197.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C(C)=C1	REAL300000501534	1	43	-2.0	-134.89	367.01	4.51	-130.38
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1C	REAL300000501535	1	46	-2.0	-136.46	387.09	5.25	-131.21
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1O	REAL300000501536	0	40	-2.0	-140.06	353.17	2.80	-137.26
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000501537	0	33	-2.0	-129.01	303.64	0.83	-128.18
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000501538	0	40	-2.0	-126.73	359.87	4.81	-121.92
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000501539	0	36	-2.0	-134.14	336.96	4.78	-129.36
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000501540	0	38	-3.0	-198.46	353.53	4.13	-194.33
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000501541	0	39	-2.0	-159.31	350.26	3.64	-155.67
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501542	0	46	-2.0	-147.81	393.58	5.82	-141.99
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000501543	0	35	-2.0	-125.93	323.46	2.71	-123.22
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300000501544	0	41	-2.0	-138.64	358.22	4.86	-133.78
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000501545	0	36	-2.0	-144.56	326.07	3.53	-141.03
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C(C)=C1	REAL300000501546	1	46	-2.0	-134.65	388.87	5.44	-129.21
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300000501547	0	40	-2.0	-123.66	361.81	1.42	-122.24
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000501548	0	36	-2.0	-123.16	338.02	2.96	-120.20
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000501549	0	36	-2.0	-138.21	333.83	4.57	-133.64
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000501550	0	42	-2.0	-143.67	365.19	4.08	-139.59
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C)=N1	REAL300000501551	0	39	-2.0	-146.26	345.59	3.32	-142.94
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=N1	REAL300000501552	0	39	-2.0	-132.35	348.14	3.00	-129.35
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501553	0	43	-2.0	-140.10	377.13	4.15	-135.95
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000501554	0	41	-2.0	-135.38	358.05	3.73	-131.65
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000501555	0	36	-2.0	-132.94	341.60	5.07	-127.87
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC(F)(F)F	REAL300000501556	1	39	-2.0	-126.55	360.38	2.68	-123.87
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300000501557	1	44	-2.0	-135.67	378.97	5.04	-130.63
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C	REAL300000501558	0	36	-2.0	-129.72	322.44	1.49	-128.23
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501559	0	40	-2.0	-139.46	351.55	3.74	-135.72
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C	REAL300000501560	0	39	-2.0	-138.10	337.55	5.21	-132.89
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000501562	0	36	-2.0	-142.26	326.90	1.97	-140.29
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000501563	0	36	-2.0	-126.48	322.30	2.06	-124.42
COCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501564	1	36	-2.0	-128.25	318.95	1.25	-127.00
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000501565	1	40	-2.0	-140.69	341.42	2.66	-138.03
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCCO1	REAL300000501566	1	43	-2.0	-138.60	358.91	3.73	-134.87
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1F	REAL300000501569	0	39	-2.0	-141.57	348.97	5.18	-136.39
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C)=C1	REAL300000501570	0	39	-2.0	-129.69	348.79	5.13	-124.56
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000501571	0	33	-2.0	-142.34	303.36	1.82	-140.52
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)O1	REAL300000501572	0	39	-2.0	-128.29	361.60	3.23	-125.06
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000501573	0	41	-2.0	-154.99	362.00	5.07	-149.92
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000501574	0	36	-2.0	-126.76	340.23	4.62	-122.14
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300000501575	0	38	-2.0	-126.31	352.71	3.66	-122.65
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501576	0	42	-2.0	-145.58	380.22	2.02	-143.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C(C)=C1C	REAL300000501577	1	46	-2.0	-136.59	382.28	5.15	-131.44
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300000501579	0	48	-2.0	-134.23	400.16	5.07	-129.16
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CS1	REAL300000501580	0	36	-2.0	-136.55	330.28	4.26	-132.29
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1C	REAL300000501581	0	45	-2.0	-134.00	381.50	4.37	-129.63
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300000501582	0	41	-2.0	-123.79	366.28	5.61	-118.18
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300000501585	0	40	-2.0	-133.63	358.32	5.62	-128.01
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300000501586	0	48	-2.0	-136.59	375.11	7.37	-129.22
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1C	REAL300000501587	0	40	-2.0	-128.21	358.31	5.59	-122.62
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501588	0	48	-2.0	-135.04	383.63	7.94	-127.10
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000501590	0	37	-2.0	-130.97	348.36	4.89	-126.08
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300000501591	0	41	-2.0	-133.42	365.71	2.10	-131.32
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000501592	0	42	-2.0	-132.55	366.82	3.52	-129.03
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000501594	0	41	-2.0	-137.13	363.03	4.83	-132.30
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=N1	REAL300000501595	0	42	-2.0	-138.10	381.44	3.21	-134.89
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000501596	0	42	-2.0	-142.85	365.86	2.88	-139.97
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000501599	0	36	-2.0	-119.10	341.05	4.62	-114.48
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOC(C)C	REAL300000501600	1	42	-2.0	-129.10	361.08	2.96	-126.14
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=CN1C	REAL300000501601	0	43	-2.0	-138.78	383.23	4.53	-134.25
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000501602	0	38	-3.0	-188.59	355.05	5.04	-183.55
COC1=CC(OC)=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000501602	1	39	-2.0	-120.28	355.02	5.00	-115.28
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300000501603	0	42	-2.0	-130.68	369.10	5.77	-124.91
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000501604	0	35	-3.0	-192.45	342.79	4.13	-188.32
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000501605	0	45	-2.0	-143.77	386.80	5.40	-138.37
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000501606	0	38	-3.0	-196.32	356.94	5.06	-191.26
COC1=CC(OC)=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000501606	1	39	-2.0	-136.40	357.00	5.03	-131.37
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=CN1	REAL300000501607	0	40	-2.0	-135.70	365.46	2.78	-132.92
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000501608	0	38	-3.0	-190.13	355.98	5.07	-185.06
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000501609	0	39	-2.0	-132.50	342.85	5.25	-127.25
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N=C(C)S1	REAL300000501610	0	38	-2.0	-132.48	347.29	3.01	-129.47
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000501611	0	40	-2.0	-143.46	364.31	5.61	-137.85
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501612	0	42	-2.0	-139.33	364.95	5.86	-133.47
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300000501613	0	39	-2.0	-133.73	349.88	5.16	-128.57
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501615	0	42	-2.0	-129.72	379.95	3.89	-125.83
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300000501616	0	39	-2.0	-132.16	354.25	5.20	-126.96
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000501617	0	42	-2.0	-147.26	363.11	6.75	-140.51
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000501618	0	38	-2.0	-133.01	354.07	3.92	-129.09
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000501619	0	39	-3.0	-209.41	360.23	2.71	-206.70
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000501620	0	46	-2.0	-142.95	377.38	7.07	-135.88
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000501621	0	41	-3.0	-197.58	372.71	5.77	-191.81
COC1=CC(OC)=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000501621	1	42	-2.0	-117.09	372.72	5.74	-111.35
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)O1	REAL300000501622	0	42	-2.0	-128.45	383.46	4.16	-124.29
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)SC=C1	REAL300000501624	0	37	-2.0	-147.27	344.23	2.72	-144.55
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000501625	0	39	-2.0	-137.96	351.83	4.83	-133.13
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000501626	0	36	-2.0	-123.37	337.04	3.39	-119.98
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000501627	0	36	-2.0	-138.54	342.24	3.27	-135.27
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=CC(OC)=C1	REAL300000501628	0	44	-2.0	-140.03	381.05	3.04	-136.99
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000501629	0	37	-2.0	-140.01	337.90	3.18	-136.83
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000501630	0	37	-2.0	-126.19	344.28	2.27	-123.92
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C)S1	REAL300000501631	0	35	-2.0	-131.72	330.59	2.27	-129.45
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000501632	0	41	-3.0	-201.77	360.56	5.63	-196.14
COC1=CC(OC)=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000501632	1	42	-2.0	-108.55	361.46	5.68	-102.87
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501633	1	43	-2.0	-131.18	374.43	1.48	-129.70
COC1=CC(OC)=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000501634	0	42	-2.0	-118.54	366.94	5.83	-112.71
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000501634	1	41	-3.0	-190.74	365.94	5.78	-184.96
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300000501635	0	37	-2.0	-133.08	351.36	5.10	-127.98
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300000501636	0	39	-2.0	-136.28	354.25	5.21	-131.07
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1CC	REAL300000501637	0	48	-2.0	-139.67	399.21	7.00	-132.67
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000501639	0	42	-2.0	-143.83	367.50	4.82	-139.01
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=N1	REAL300000501640	0	41	-2.0	-125.68	372.80	3.27	-122.41
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501641	0	44	-2.0	-148.26	385.15	5.70	-142.56
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=N1	REAL300000501642	0	43	-2.0	-130.24	381.81	2.05	-128.19
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300000501644	0	40	-2.0	-145.30	359.36	5.22	-140.08
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000501645	0	45	-2.0	-136.90	395.05	6.09	-130.81
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501646	0	42	-2.0	-143.47	369.55	5.18	-138.29
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000501647	0	44	-2.0	-130.73	380.10	2.18	-128.55
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1F	REAL300000501648	0	39	-2.0	-143.18	347.87	5.15	-138.03
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=N1	REAL300000501649	0	42	-2.0	-128.34	371.10	2.05	-126.29
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000501650	0	43	-2.0	-147.00	367.84	4.47	-142.53
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1	REAL300000501651	0	43	-2.0	-137.33	377.14	4.16	-133.17
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501652	0	41	-2.0	-142.05	361.33	1.43	-140.62
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300000501653	0	39	-2.0	-139.17	353.92	5.59	-133.58
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C)=C1	REAL300000501655	0	39	-2.0	-135.00	345.01	4.02	-130.98
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000501656	1	44	-2.0	-136.91	375.76	5.07	-131.84
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501657	0	43	-2.0	-136.23	368.66	4.48	-131.75
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300000501658	1	46	-2.0	-134.65	391.33	5.28	-129.37
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)O1	REAL300000501659	0	36	-2.0	-135.41	326.66	3.25	-132.16
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)S1	REAL300000501660	0	39	-2.0	-137.65	355.70	4.85	-132.80
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000501661	0	39	-2.0	-132.31	348.11	3.10	-129.21
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000501662	0	36	-2.0	-126.84	345.20	5.02	-121.82
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C(C)O1	REAL300000501663	0	42	-2.0	-130.30	379.90	4.00	-126.30
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000501664	0	35	-2.0	-126.27	333.81	3.13	-123.14
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)N=C1C	REAL300000501665	0	42	-2.0	-146.12	367.67	4.22	-141.90
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300000501666	0	39	-2.0	-138.69	356.61	5.67	-133.02
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1C(=O)[O-]	REAL300000501667	0	42	-3.0	-205.57	378.47	5.20	-200.37
CCN1C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1C(=O)[O-]	REAL300000501667	1	43	-2.0	-109.77	380.21	5.23	-104.54
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501668	0	39	-2.0	-133.03	361.94	3.18	-129.85
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501669	0	48	-2.0	-135.50	401.54	4.99	-130.51
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000501670	0	36	-2.0	-141.65	338.11	5.24	-136.41
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1Cl	REAL300000501671	0	38	-2.0	-134.05	351.96	3.75	-130.30
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300000501672	0	41	-2.0	-134.88	371.10	4.63	-130.25
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)S1	REAL300000501673	0	38	-2.0	-131.40	352.07	3.02	-128.38
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300000501674	0	43	-2.0	-131.38	371.73	4.57	-126.81
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000501675	0	37	-2.0	-127.57	355.94	5.40	-122.17
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000501676	0	39	-2.0	-146.88	349.99	4.75	-142.13
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501677	0	41	-2.0	-131.42	372.01	3.30	-128.12
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300000501678	0	46	-2.0	-145.08	385.60	6.20	-138.88
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300000501680	1	44	-2.0	-139.48	373.15	4.83	-134.65
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300000501682	0	36	-2.0	-129.08	351.05	4.66	-124.42
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000501683	0	39	-2.0	-136.32	354.24	5.30	-131.02
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000501684	0	39	-2.0	-130.94	361.13	3.29	-127.65
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1SC	REAL300000501685	0	40	-2.0	-144.76	358.14	5.51	-139.25
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300000501686	0	45	-2.0	-141.63	376.06	6.45	-135.18
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=CC=C1F	REAL300000501687	0	40	-2.0	-128.31	357.80	3.81	-124.50
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000501688	0	35	-2.0	-141.97	334.75	4.84	-137.13
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000501689	0	33	-2.0	-134.08	304.74	2.43	-131.65
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000501690	0	35	-2.0	-119.59	316.52	0.85	-118.74
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000501691	0	41	-2.0	-129.09	366.42	3.56	-125.53
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000501692	0	35	-2.0	-125.31	343.23	4.20	-121.11
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000501693	0	40	-2.0	-137.65	350.04	3.87	-133.78
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000501694	0	37	-2.0	-132.40	355.95	5.40	-127.00
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501695	0	42	-2.0	-136.77	352.27	6.17	-130.60
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300000501696	0	44	-2.0	-152.51	376.03	4.95	-147.56
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1F	REAL300000501698	0	39	-2.0	-142.00	341.48	5.38	-136.62
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000501699	0	40	-2.0	-150.20	360.46	4.52	-145.68
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000501701	0	37	-2.0	-143.28	346.83	2.74	-140.54
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501702	0	39	-2.0	-132.37	346.63	1.91	-130.46
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300000501703	0	42	-2.0	-133.06	363.55	3.87	-129.19
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000501706	0	40	-2.0	-137.07	354.93	5.70	-131.37
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000501707	0	40	-2.0	-143.67	364.31	5.59	-138.08
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300000501708	1	42	-2.0	-128.29	358.59	6.18	-122.11
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300000501709	0	37	-2.0	-123.62	329.59	1.81	-121.81
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000501710	0	37	-2.0	-130.51	349.56	3.21	-127.30
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300000501711	0	47	-2.0	-137.38	403.31	5.22	-132.16
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501712	0	43	-2.0	-140.23	367.03	4.51	-135.72
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000501714	0	34	-2.0	-125.68	334.59	3.99	-121.69
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1	REAL300000501715	0	38	-2.0	-133.24	338.66	3.27	-129.97
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000501716	0	41	-2.0	-135.74	363.24	4.80	-130.94
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300000501717	0	40	-2.0	-127.89	362.05	5.33	-122.56
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000501718	0	35	-2.0	-119.49	339.80	3.12	-116.37
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(C)OC	REAL300000501719	1	39	-2.0	-135.86	337.61	2.43	-133.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C(F)=C1	REAL300000501720	0	40	-2.0	-137.91	357.04	3.80	-134.11
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300000501721	1	42	-2.0	-135.87	367.76	4.95	-130.92
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000501722	0	39	-2.0	-133.52	354.26	5.30	-128.22
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=NN1C	REAL300000501724	0	39	-2.0	-127.43	338.92	2.90	-124.53
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000501726	0	34	-2.0	-125.72	326.03	2.97	-122.75
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000501727	0	33	-2.0	-133.01	313.16	3.34	-129.67
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000501728	0	33	-2.0	-132.77	304.59	2.32	-130.45
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000501729	0	41	-3.0	-190.80	366.53	5.54	-185.26
COC1=CC(OC)=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000501729	1	42	-2.0	-113.45	367.12	5.53	-107.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=N1	REAL300000501730	0	39	-2.0	-128.31	349.24	1.12	-127.19
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000501731	0	36	-2.0	-136.39	344.28	5.02	-131.37
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501732	0	47	-2.0	-139.09	400.65	5.58	-133.51
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000501733	0	39	-2.0	-139.10	358.56	5.80	-133.30
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000501734	0	39	-2.0	-142.05	348.66	3.07	-138.98
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501735	0	43	-2.0	-139.56	373.41	4.66	-134.90
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501736	0	42	-2.0	-163.61	366.46	2.03	-161.58
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000501737	0	33	-2.0	-136.96	330.04	3.89	-133.07
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CS1	REAL300000501738	0	36	-2.0	-135.32	335.63	4.10	-131.22
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000501739	0	33	-2.0	-128.80	320.35	1.24	-127.56
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000501740	0	35	-2.0	-127.84	328.98	2.56	-125.28
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000501741	0	45	-2.0	-130.26	386.60	3.49	-126.77
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000501742	0	45	-2.0	-129.00	391.23	2.98	-126.02
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300000501743	1	44	-2.0	-134.59	382.60	5.40	-129.19
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000501744	0	39	-2.0	-131.18	358.24	4.90	-126.28
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501745	0	41	-2.0	-145.32	363.22	4.02	-141.30
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=NS1	REAL300000501746	0	35	-2.0	-127.57	330.55	2.73	-124.84
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300000501748	0	40	-2.0	-164.94	353.21	1.72	-163.22
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000501749	0	43	-2.0	-137.10	371.28	6.55	-130.55
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000501750	0	33	-2.0	-140.48	320.34	3.48	-137.00
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000501751	0	37	-2.0	-124.17	348.78	4.87	-119.30
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1=CC=CC=C1	REAL300000501752	0	46	-2.0	-133.65	392.68	5.01	-128.64
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)CC1	REAL300000501753	1	40	-2.0	-140.18	343.61	3.48	-136.70
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(C)=O	REAL300000501754	0	36	-2.0	-161.53	327.41	0.37	-161.16
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000501755	0	33	-2.0	-135.64	303.68	1.01	-134.63
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000501756	0	41	-2.0	-141.98	359.05	1.35	-140.63
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)S1	REAL300000501757	0	39	-2.0	-137.77	352.18	5.07	-132.70
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000501758	0	37	-2.0	-123.15	345.44	3.29	-119.86
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000501759	0	38	-2.0	-125.00	349.61	3.82	-121.18
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1	REAL300000501763	0	39	-2.0	-134.42	342.73	2.67	-131.75
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1	REAL300000501764	0	40	-2.0	-137.68	353.15	5.53	-132.15
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C	REAL300000501765	0	39	-2.0	-133.04	345.45	2.79	-130.25
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000501766	0	36	-2.0	-124.81	337.87	3.05	-121.76
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501767	1	44	-2.0	-129.69	370.35	4.41	-125.28
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000501769	0	36	-2.0	-129.34	337.71	1.97	-127.37
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000501770	0	38	-3.0	-210.19	354.16	5.02	-205.17
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000501771	0	38	-2.0	-148.52	353.26	3.85	-144.67
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000501772	0	41	-2.0	-139.74	357.87	4.29	-135.45
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000501774	0	39	-2.0	-136.99	348.62	5.95	-131.04
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000501775	0	41	-2.0	-148.44	358.37	4.25	-144.19
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC)OC	REAL300000501776	1	42	-2.0	-135.32	354.40	3.10	-132.22
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(CC(C)C)OC	REAL300000501777	1	48	-2.0	-136.68	393.56	4.34	-132.34
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC1CC1	REAL300000501778	1	43	-2.0	-128.89	372.48	3.80	-125.09
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F	REAL300000501780	0	39	-2.0	-144.87	351.97	5.38	-139.49
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000501781	0	41	-2.0	-134.55	365.91	2.89	-131.66
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1CC1	REAL300000501782	1	43	-2.0	-135.85	364.87	3.83	-132.02
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501783	0	40	-2.0	-141.48	356.72	4.29	-137.19
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CON=C1C	REAL300000501784	0	35	-2.0	-124.07	320.82	2.34	-121.73
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300000501785	0	39	-2.0	-130.94	357.54	5.53	-125.41
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000501786	0	42	-2.0	-146.69	370.18	5.42	-141.27
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(=O)N(C)C	REAL300000501787	0	41	-2.0	-149.78	363.71	0.39	-149.39
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000501788	0	35	-2.0	-137.53	322.57	2.61	-134.92
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000501791	0	35	-2.0	-124.22	323.47	2.59	-121.63
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CCOCC1CCC1	REAL300000501792	1	46	-2.0	-128.93	389.05	4.33	-124.60
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000501793	0	34	-2.0	-138.80	332.43	3.84	-134.96
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C(C)C	REAL300000501795	1	45	-2.0	-139.84	368.30	3.96	-135.88
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000501796	0	36	-2.0	-126.18	344.67	5.00	-121.18
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000501797	0	44	-2.0	-148.72	374.24	5.64	-143.08
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300000501803	0	43	-2.0	-148.23	377.98	1.88	-146.35
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(=O)NC1=O	REAL300000501804	0	39	-2.0	-136.06	350.47	1.12	-134.94
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)N(C)N=C1	REAL300000501805	0	42	-2.0	-134.59	370.26	3.57	-131.02
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC)C1CC1	REAL300000501806	1	46	-2.0	-136.83	385.48	4.79	-132.04
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C)N1C	REAL300000501807	0	39	-2.0	-132.57	341.42	3.41	-129.16
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC(OC)C1CCCC1	REAL300000501808	1	49	-2.0	-135.04	398.80	4.81	-130.23
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)O1	REAL300000501809	0	42	-2.0	-129.16	379.50	3.81	-125.35
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000501810	0	39	-2.0	-132.37	361.81	3.93	-128.44
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000501811	0	35	-2.0	-128.93	339.44	3.05	-125.88
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1F	REAL300000501812	0	39	-2.0	-138.10	354.14	5.22	-132.88
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)OC=C1	REAL300000501813	0	39	-2.0	-146.08	355.45	3.81	-142.27
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000501814	0	38	-2.0	-153.14	350.42	3.33	-149.81
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C(C)=N1	REAL300000501815	0	48	-2.0	-132.83	409.96	5.20	-127.63
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000501816	0	37	-3.0	-204.98	346.73	3.11	-201.87
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300000501817	0	40	-2.0	-136.42	354.85	4.59	-131.83
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000501818	0	37	-2.0	-125.80	349.31	4.90	-120.90
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000501819	0	38	-2.0	-132.17	345.33	3.48	-128.69
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000501819	1	38	-2.0	-148.53	345.23	3.62	-144.91
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000501820	0	40	-2.0	-144.03	355.80	4.40	-139.63
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000501821	0	46	-2.0	-132.02	383.06	4.55	-127.47
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000501822	0	48	-2.0	-131.66	390.42	5.07	-126.59
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000501824	0	46	-2.0	-132.61	389.47	4.78	-127.83
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000501826	0	37	-2.0	-136.15	338.25	2.20	-133.95
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000501826	1	36	-3.0	-224.45	334.67	3.06	-221.39
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C1	REAL300000501827	0	46	-2.0	-136.97	399.28	7.21	-129.76
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501828	0	39	-2.0	-153.07	354.34	2.01	-151.06
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501829	0	42	-2.0	-133.20	364.92	3.59	-129.61
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1	REAL300000501830	0	41	-2.0	-134.74	369.37	5.01	-129.73
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000501831	0	36	-2.0	-126.44	327.26	1.78	-124.66
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C#N	REAL300000501832	0	40	-2.0	-142.87	361.56	5.38	-137.49
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C#N	REAL300000501833	0	40	-2.0	-145.29	353.64	5.66	-139.63
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000501835	0	43	-2.0	-140.21	385.83	6.39	-133.82
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300000501836	0	42	-2.0	-129.29	368.92	6.63	-122.66
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501837	0	36	-2.0	-124.15	341.31	0.24	-123.91
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)CC1CCCC(C)(C)O1	REAL300000501838	1	49	-2.0	-141.59	394.11	4.66	-136.93
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000501839	0	32	-2.0	-127.26	308.80	2.14	-125.12
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300000501842	0	40	-2.0	-134.96	361.57	0.05	-134.91
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501843	0	45	-2.0	-137.64	373.77	6.95	-130.69
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000501844	0	36	-2.0	-132.38	337.42	4.48	-127.90
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000501846	0	41	-2.0	-145.79	358.30	4.95	-140.84
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501847	0	43	-2.0	-136.24	383.47	4.63	-131.61
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000501848	0	37	-2.0	-137.24	347.91	4.85	-132.39
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=N1	REAL300000501849	0	35	-2.0	-136.17	320.85	0.76	-135.41
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000501850	0	43	-2.0	-132.66	371.96	4.11	-128.55
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000501851	0	43	-2.0	-129.89	367.28	4.41	-125.48
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000501852	0	46	-2.0	-129.75	391.46	5.05	-124.70
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000501853	0	43	-2.0	-136.64	366.44	4.46	-132.18
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC=C1C	REAL300000501854	0	39	-2.0	-133.05	346.80	5.11	-127.94
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000501855	0	44	-2.0	-149.92	379.32	5.01	-144.91
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000501856	0	33	-2.0	-132.93	327.49	3.88	-129.05
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300000501857	0	41	-2.0	-150.71	362.75	4.04	-146.67
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501858	0	38	-2.0	-120.27	337.29	1.77	-118.50
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000501860	0	37	-2.0	-123.33	336.94	3.22	-120.11
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000501861	0	39	-2.0	-138.59	360.90	5.86	-132.73
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000501862	0	43	-2.0	-128.09	374.00	4.16	-123.93
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300000501863	0	45	-2.0	-133.39	377.97	6.81	-126.58
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300000501864	0	44	-2.0	-142.13	377.85	4.36	-137.77
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000501865	0	39	-2.0	-138.48	351.83	4.72	-133.76
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000501866	0	43	-2.0	-136.46	377.32	4.36	-132.10
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000501867	0	39	-2.0	-144.78	351.49	3.65	-141.13
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000501868	0	41	-2.0	-154.03	366.61	2.83	-151.20
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000501869	0	43	-2.0	-138.87	362.61	6.42	-132.45
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(N)C(C)=C1	REAL300000501870	0	40	-2.0	-135.44	350.08	2.14	-133.30
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501871	0	36	-2.0	-132.10	339.36	0.30	-131.80
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)NC=N1	REAL300000501872	0	36	-2.0	-143.78	321.17	2.53	-141.25
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000501874	0	39	-2.0	-134.15	355.78	4.82	-129.33
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000501875	0	46	-2.0	-136.93	393.58	4.85	-132.08
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000501876	0	33	-2.0	-132.91	327.89	3.98	-128.93
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000501877	0	46	-2.0	-132.77	396.05	5.08	-127.69
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000501878	0	40	-2.0	-141.08	358.80	5.64	-135.44
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501879	0	45	-2.0	-139.44	386.45	6.64	-132.80
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501880	0	42	-2.0	-124.89	378.34	2.78	-122.11
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300000501881	0	37	-2.0	-138.40	346.60	4.79	-133.61
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000501882	0	43	-2.0	-132.82	367.78	3.96	-128.86
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C	REAL300000501884	0	42	-2.0	-136.20	351.83	6.12	-130.08
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000501885	0	45	-2.0	-126.23	369.05	4.35	-121.88
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000501886	0	45	-2.0	-133.56	386.55	4.15	-129.41
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000501887	0	43	-2.0	-133.46	370.64	3.53	-129.93
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000501888	0	47	-2.0	-133.05	396.33	5.25	-127.80
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000501889	0	39	-2.0	-136.94	350.06	5.25	-131.69
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=NN1C	REAL300000501890	0	39	-2.0	-126.98	343.22	2.70	-124.28
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C	REAL300000501892	0	42	-2.0	-139.01	354.56	5.75	-133.26
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000501893	0	39	-2.0	-147.37	343.05	5.74	-141.63
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000501894	0	37	-2.0	-133.65	354.71	5.28	-128.37
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000501895	0	43	-2.0	-139.27	371.29	6.54	-132.73
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=CS1	REAL300000501896	0	37	-2.0	-141.47	344.32	2.88	-138.59
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000501897	0	43	-2.0	-140.18	376.77	6.61	-133.57
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000501898	0	46	-2.0	-130.45	386.87	5.03	-125.42
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501899	0	45	-2.0	-129.54	382.01	4.33	-125.21
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000501901	0	41	-2.0	-146.34	365.66	2.80	-143.54
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)O1	REAL300000501902	0	39	-2.0	-135.57	348.14	4.04	-131.53
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000501903	0	36	-2.0	-126.85	345.91	3.66	-123.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)S1	REAL300000501904	0	37	-2.0	-132.67	345.84	2.89	-129.78
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000501905	0	39	-2.0	-129.36	354.73	3.13	-126.23
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501906	0	46	-2.0	-140.38	398.98	5.12	-135.26
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000501907	0	39	-2.0	-139.26	343.70	5.36	-133.90
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000501908	0	39	-2.0	-138.34	347.56	4.83	-133.51
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000501909	0	38	-2.0	-137.73	353.01	3.82	-133.91
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=N1	REAL300000501910	0	38	-2.0	-132.10	342.77	1.31	-130.79
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1Cl	REAL300000501911	0	39	-2.0	-130.08	363.72	3.36	-126.72
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000501912	0	33	-2.0	-128.18	321.81	3.05	-125.13
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300000501913	1	43	-2.0	-136.37	380.00	4.80	-131.57
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000501915	0	40	-2.0	-136.83	365.87	5.75	-131.08
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CO1	REAL300000501916	0	36	-2.0	-134.58	326.64	3.10	-131.48
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=NN1	REAL300000501917	0	42	-2.0	-132.82	382.42	2.23	-130.59
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000501918	0	35	-2.0	-118.96	339.69	3.07	-115.89
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000501919	0	42	-2.0	-132.48	365.46	4.44	-128.04
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000501920	0	43	-2.0	-144.16	375.78	6.20	-137.96
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000501921	0	36	-2.0	-129.60	341.92	2.49	-127.11
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000501922	0	34	-2.0	-137.49	326.22	2.88	-134.61
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300000501923	0	38	-2.0	-126.13	349.81	3.83	-122.30
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C(C2CC2)=N1	REAL300000501924	0	46	-2.0	-136.73	398.86	5.23	-131.50
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)NC(=O)NC1=O	REAL300000501925	0	39	-2.0	-135.85	344.92	0.50	-135.35
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000501927	0	33	-2.0	-131.57	320.85	2.93	-128.64
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000501928	0	33	-2.0	-129.33	330.87	3.95	-125.38
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000501929	0	44	-2.0	-128.60	374.37	2.17	-126.43
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000501930	0	43	-2.0	-142.78	365.61	6.61	-136.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C(C)=N1	REAL300000501932	0	42	-2.0	-128.37	364.90	1.88	-126.49
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CN=C1OC	REAL300000501933	0	42	-2.0	-140.91	369.47	2.25	-138.66
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300000501934	0	42	-2.0	-129.55	369.38	1.85	-127.70
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000501935	0	45	-2.0	-132.84	389.48	4.53	-128.31
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300000501936	0	45	-2.0	-133.69	385.64	4.17	-129.52
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000501937	0	34	-2.0	-134.18	325.05	2.84	-131.34
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000501938	0	34	-2.0	-138.80	331.58	3.81	-134.99
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000501939	0	42	-2.0	-128.58	363.78	3.69	-124.89
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000501940	0	43	-2.0	-128.04	374.33	4.56	-123.48
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)=C1	REAL300000501941	0	39	-2.0	-131.13	353.12	0.78	-130.35
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300000501942	0	45	-2.0	-135.23	386.54	4.19	-131.04
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000501943	0	38	-2.0	-129.62	349.40	3.46	-126.16
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000501945	0	37	-2.0	-137.19	333.08	1.58	-135.61
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000501946	0	32	-2.0	-124.97	307.71	2.03	-122.94
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C=C1OC	REAL300000501947	0	41	-2.0	-144.38	362.85	4.03	-140.35
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C=C2OC)C=C(C(=O)[O-])O1	REAL300000501948	0	41	-3.0	-198.99	372.65	4.98	-194.01
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300000501949	0	36	-2.0	-129.29	348.61	4.83	-124.46
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000501950	0	32	-2.0	-130.31	308.64	1.55	-128.76
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000501951	0	43	-2.0	-136.49	367.78	3.75	-132.74
COC1=CC(OC)=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000501952	0	39	-2.0	-142.55	348.96	5.17	-137.38
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000501953	0	38	-2.0	-119.77	358.90	6.29	-113.48
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000501954	0	38	-2.0	-109.65	354.35	6.27	-103.38
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000501955	0	38	-2.0	-122.57	354.37	6.26	-116.31
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000501956	0	42	-2.0	-126.64	382.51	6.07	-120.57
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000501957	0	42	-2.0	-108.18	385.82	7.55	-100.63
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000501958	0	41	-2.0	-125.44	374.44	6.90	-118.54
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000501959	0	38	-2.0	-116.49	367.44	6.84	-109.65
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000501960	0	38	-2.0	-118.28	366.87	6.65	-111.63
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000501961	0	44	-2.0	-123.42	387.47	7.60	-115.82
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000501962	0	38	-2.0	-118.75	359.84	6.32	-112.43
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000501963	0	44	-2.0	-107.35	397.93	7.85	-99.50
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000501964	0	35	-2.0	-116.83	347.55	5.29	-111.54
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000501965	0	41	-2.0	-121.37	369.80	7.05	-114.32
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000501966	0	42	-2.0	-107.04	385.44	6.54	-100.50
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000501967	0	39	-2.0	-121.21	361.02	5.63	-115.58
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000501968	0	42	-2.0	-121.71	378.15	5.10	-116.61
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000501969	0	38	-2.0	-112.92	363.50	5.94	-106.98
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000501970	0	44	-2.0	-122.75	385.82	7.60	-115.15
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000501971	0	35	-2.0	-118.14	346.02	5.31	-112.83
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000501972	0	42	-2.0	-128.61	381.65	6.33	-122.28
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000501973	0	47	-2.0	-123.39	408.27	8.27	-115.12
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000501974	0	44	-2.0	-118.12	383.29	7.95	-110.17
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000501975	0	45	-2.0	-128.90	404.80	6.84	-122.06
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000501976	0	40	-3.0	-201.54	382.77	6.83	-194.71
CCOC(=O)C1=CN(C)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000501976	1	41	-2.0	-115.06	382.07	6.85	-108.21
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000501977	0	45	-2.0	-126.22	398.61	8.17	-118.05
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000501978	0	38	-2.0	-114.97	357.38	5.41	-109.56
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000501979	0	42	-2.0	-125.96	383.28	5.36	-120.60
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000501980	0	45	-2.0	-107.56	405.53	7.25	-100.31
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000501981	0	41	-2.0	-112.25	375.08	7.08	-105.17
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000501982	0	45	-2.0	-129.25	403.50	7.23	-122.02
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000501983	0	38	-2.0	-117.88	362.99	6.16	-111.72
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000501984	0	38	-2.0	-106.88	367.42	6.83	-100.05
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000501985	0	38	-2.0	-108.97	358.88	6.30	-102.67
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000501986	0	35	-2.0	-111.44	346.63	5.40	-106.04
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000501987	0	38	-2.0	-113.30	360.78	6.32	-106.98
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000501988	0	41	-2.0	-120.48	380.11	6.96	-113.52
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000501989	0	38	-2.0	-109.48	359.83	6.34	-103.14
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000501990	0	38	-2.0	-107.12	366.85	6.66	-100.46
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000501991	0	38	-2.0	-111.15	365.19	6.35	-104.80
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000501992	0	40	-2.0	-107.23	382.56	6.93	-100.30
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000501993	0	39	-2.0	-119.36	364.08	3.99	-115.37
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000501994	0	41	-2.0	-112.22	376.53	7.04	-105.18
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000501995	0	41	-2.0	-120.10	364.41	6.91	-113.19
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000501996	0	41	-2.0	-121.40	379.20	6.91	-114.49
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000501997	0	41	-2.0	-109.23	369.78	7.04	-102.19
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000501998	0	44	-2.0	-126.25	387.24	7.34	-118.91
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000501999	0	40	-2.0	-120.22	380.93	7.36	-112.86
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000502000	0	38	-2.0	-110.72	366.10	6.39	-104.33
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000502001	0	44	-2.0	-124.68	387.90	7.68	-117.00
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000502002	0	41	-2.0	-121.21	379.68	6.96	-114.25
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000502003	0	41	-2.0	-129.56	379.40	6.95	-122.61
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000502004	0	44	-2.0	-124.76	388.69	7.45	-117.31
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000502005	0	45	-2.0	-126.95	404.83	6.39	-120.56
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000502006	0	42	-2.0	-122.52	382.39	6.49	-116.03
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000502007	0	41	-2.0	-111.49	374.42	6.90	-104.59
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000502008	0	41	-2.0	-118.40	374.32	7.08	-111.32
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000502009	0	40	-2.0	-131.05	378.11	8.13	-122.92
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000502010	0	38	-2.0	-128.54	358.00	6.28	-122.26
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000502011	0	41	-2.0	-114.30	375.53	6.83	-107.47
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000502012	0	37	-2.0	-120.74	350.59	4.40	-116.34
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000502013	0	42	-2.0	-113.94	382.57	6.07	-107.87
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000502014	0	35	-2.0	-109.46	354.47	5.24	-104.22
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000502015	0	45	-2.0	-115.40	400.49	8.15	-107.25
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000502016	0	45	-2.0	-121.29	398.45	8.14	-113.15
CCOC(=O)C1=CN(C)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000502017	0	41	-2.0	-114.02	376.49	6.27	-107.75
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1	REAL300000502018	0	42	-2.0	-89.82	382.51	-1.90	-91.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CC=C1F	REAL300000502019	1	35	-2.0	-105.71	330.59	-0.46	-106.17
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)N=C1	REAL300000502020	0	43	-2.0	-106.98	385.67	0.60	-106.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1	REAL300000502021	1	35	-2.0	-95.63	326.03	-0.48	-96.11
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1	REAL300000502022	0	35	-2.0	-107.54	326.06	-0.50	-108.04
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)N=C1	REAL300000502023	0	39	-2.0	-113.35	354.20	-0.69	-114.04
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1	REAL300000502024	1	39	-2.0	-95.61	357.50	0.81	-94.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1C(=O)[O-]	REAL300000502025	1	38	-2.0	-109.87	346.12	0.15	-109.72
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1	REAL300000502026	0	35	-2.0	-103.84	339.13	0.08	-103.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CC=C1Cl	REAL300000502027	0	35	-2.0	-103.99	338.56	-0.10	-104.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1C	REAL300000502028	1	41	-2.0	-111.06	358.45	0.82	-110.24
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1	REAL300000502029	0	35	-2.0	-105.07	331.53	-0.43	-105.50
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1	REAL300000502030	0	41	-2.0	-94.89	369.62	1.09	-93.80
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1	REAL300000502031	0	32	-2.0	-101.90	319.24	-1.46	-103.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)N=C1	REAL300000502032	1	38	-2.0	-109.23	341.49	0.29	-108.94
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1	REAL300000502033	1	39	-2.0	-94.22	357.12	-0.21	-94.43
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1C(=O)[O-]	REAL300000502034	0	36	-2.0	-105.96	332.70	-1.13	-107.09
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)N=C1	REAL300000502035	1	39	-2.0	-109.62	350.26	-1.67	-111.29
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1	REAL300000502036	0	35	-2.0	-98.31	335.17	-0.81	-99.12
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1C(=O)[O-]	REAL300000502037	1	41	-2.0	-110.38	357.51	0.83	-109.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CS1	REAL300000502038	0	32	-2.0	-103.73	317.70	-1.46	-105.19
COC1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000502039	1	43	-2.0	-108.29	384.38	-0.68	-108.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1C(=O)[O-]	REAL300000502040	1	39	-2.0	-113.92	353.33	-0.42	-114.34
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1	REAL300000502041	1	45	-2.0	-112.76	381.29	2.15	-110.61
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)N=C1	REAL300000502042	1	44	-2.0	-111.29	379.95	1.52	-109.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)N=C1	REAL300000502043	1	41	-2.0	-107.94	356.18	1.24	-106.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)N=C1	REAL300000502044	0	42	-2.0	-113.24	376.49	0.08	-113.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CC(C(=O)[O-])=C1	REAL300000502045	0	37	-3.0	-181.30	354.46	0.09	-181.21
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(OCCO)N=C2)=CC(C(=O)[O-])=C1	REAL300000502045	1	38	-2.0	-112.08	361.02	-0.02	-112.10
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1	REAL300000502046	1	42	-2.0	-113.03	370.30	1.42	-111.61
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C(C(=O)[O-])O1	REAL300000502047	0	35	-2.0	-102.11	329.06	-1.34	-103.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CC2=C1OCCO2	REAL300000502048	1	41	-2.0	-112.23	368.22	-0.71	-112.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1	REAL300000502049	0	39	-2.0	-109.02	355.04	-1.40	-110.42
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C(OCCO)N=C3)C=C2C1	REAL300000502050	1	43	-2.0	-95.54	379.69	0.11	-95.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C(Cl)C=C1F	REAL300000502051	0	35	-2.0	-100.67	343.65	0.11	-100.56
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CC=C1OCC(=O)[O-]	REAL300000502052	1	42	-2.0	-94.67	377.21	0.49	-94.18
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)N=C1	REAL300000502053	0	38	-2.0	-99.83	346.77	0.33	-99.50
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1F	REAL300000502054	0	39	-2.0	-93.78	363.35	-0.14	-93.92
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1C(=O)[O-]	REAL300000502055	1	42	-2.0	-113.96	375.19	0.49	-113.47
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C(C(=O)[O-])S1	REAL300000502056	0	35	-2.0	-105.61	334.65	-0.59	-106.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C(Cl)=C1	REAL300000502057	0	35	-2.0	-93.36	339.10	0.08	-93.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1F	REAL300000502058	0	35	-2.0	-95.22	330.57	-0.45	-95.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)S1	REAL300000502059	0	32	-2.0	-97.21	318.32	-1.37	-98.58
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1	REAL300000502060	0	35	-2.0	-98.54	332.46	-0.42	-98.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1F	REAL300000502061	0	38	-2.0	-106.39	351.80	0.21	-106.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C(F)=C1	REAL300000502062	0	35	-2.0	-94.82	331.52	-0.41	-95.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1Cl	REAL300000502063	1	35	-2.0	-93.20	338.54	-0.09	-93.29
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)N=C1	REAL300000502064	0	38	-2.0	-101.51	355.50	0.71	-100.80
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1	REAL300000502065	0	43	-2.0	-92.62	389.79	0.92	-91.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CC(F)=C1F	REAL300000502066	0	35	-2.0	-97.28	336.87	-0.40	-97.68
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1	REAL300000502067	0	37	-2.0	-93.12	354.25	0.18	-92.94
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1	REAL300000502068	0	36	-2.0	-108.40	335.77	-2.79	-111.19
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1	REAL300000502069	0	38	-2.0	-99.40	348.22	0.29	-99.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CC(Cl)=C1F	REAL300000502070	0	35	-2.0	-98.69	346.76	0.04	-98.65
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OCCO)N=C1	REAL300000502071	1	38	-2.0	-103.87	336.12	0.14	-103.73
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CC(C(=O)[O-])=C1F	REAL300000502072	1	38	-2.0	-106.43	350.89	0.16	-106.27
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCCO)N=C1	REAL300000502073	1	38	-2.0	-96.04	341.47	0.29	-95.75
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CC(C(=O)[O-])=C1C	REAL300000502074	1	41	-2.0	-112.20	362.85	0.67	-111.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CC=C1[N+](=O)[O-]	REAL300000502075	0	37	-2.0	-106.66	352.61	0.59	-106.07
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1	REAL300000502076	0	35	-2.0	-96.74	337.81	-0.36	-97.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C(C)=C1C(=O)[O-]	REAL300000502077	1	41	-2.0	-107.96	360.53	0.90	-107.06
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1C(=O)[O-]	REAL300000502078	0	38	-2.0	-106.13	347.53	0.12	-106.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1Cl	REAL300000502079	0	38	-2.0	-105.38	357.83	0.65	-104.73
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1	REAL300000502080	0	38	-2.0	-112.05	351.07	0.21	-111.84
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1C(=O)[O-]	REAL300000502081	1	41	-2.0	-109.75	360.29	0.69	-109.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1CC(=O)[O-]	REAL300000502082	1	42	-2.0	-110.11	376.52	-0.36	-110.47
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)N=C1	REAL300000502083	0	38	-2.0	-98.15	356.60	0.77	-97.38
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000502084	0	38	-2.0	-105.14	357.28	0.47	-104.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1C(=O)[O-]	REAL300000502085	0	39	-2.0	-107.20	354.07	-0.27	-107.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C(C)=C1CC(=O)[O-]	REAL300000502086	1	47	-2.0	-107.34	390.96	2.36	-104.98
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1C(=O)[O-]	REAL300000502087	1	38	-2.0	-102.42	359.80	0.58	-101.84
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CC=C1C(=O)[O-]	REAL300000502088	1	38	-2.0	-95.63	342.06	0.06	-95.57
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C([N+](=O)[O-])=C1	REAL300000502089	0	40	-2.0	-100.34	369.32	1.70	-98.64
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCO)N=C1	REAL300000502090	1	38	-2.0	-106.77	346.01	0.32	-106.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1[N+](=O)[O-]	REAL300000502091	0	37	-2.0	-114.81	349.79	1.36	-113.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1F	REAL300000502092	0	35	-2.0	-111.46	329.72	-0.46	-111.92
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C1C(=O)[O-]	REAL300000502093	0	38	-2.0	-100.59	350.99	0.19	-100.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=CC2=CC=CC=C21	REAL300000502094	0	41	-2.0	-116.07	367.09	1.63	-114.44
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C1	REAL300000502095	0	34	-2.0	-105.09	322.27	-2.37	-107.46
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCCO)N=C1	REAL300000502096	0	39	-2.0	-99.73	354.26	-0.68	-100.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)=C(Cl)O1	REAL300000502097	0	32	-2.0	-95.89	326.20	-1.51	-97.40
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(OCCO)N=C3)C=C2)CC1	REAL300000502098	0	42	-2.0	-102.25	372.18	1.39	-100.86
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(OCCO)N=C3)C=C2C1	REAL300000502099	0	42	-2.0	-104.71	371.50	1.39	-103.32
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCCO)N=C2)C=C(C(=O)[O-])O1	REAL300000502100	0	38	-2.0	-102.18	348.19	-0.49	-102.67
O=C([O-])C1=CC2=C(C=C1Br)CCN2S(=O)(=O)C1=NC=C[N-]1	REAL300000502144	0	29	-2.0	-111.93	287.32	3.57	-108.36
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000502160	1	41	-2.0	-108.00	350.60	6.16	-101.84
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000502161	1	41	-2.0	-98.03	346.03	6.15	-91.88
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000502162	1	41	-2.0	-110.75	346.05	6.14	-104.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)(C)C)=C1	REAL300000502163	0	45	-2.0	-115.81	374.20	5.94	-109.87
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000502164	1	45	-2.0	-97.52	377.52	7.43	-90.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502165	1	44	-2.0	-112.08	362.19	6.69	-105.39
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000502166	0	41	-2.0	-105.83	359.13	6.72	-99.11
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000502167	1	41	-2.0	-106.47	358.57	6.54	-99.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)=C1C	REAL300000502168	1	47	-2.0	-113.12	378.73	7.50	-105.62
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000502169	0	41	-2.0	-107.53	351.53	6.21	-101.32
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000502170	1	47	-2.0	-96.59	389.62	7.73	-88.86
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000502171	0	38	-2.0	-104.89	339.23	5.16	-99.73
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)(C)C)=C1	REAL300000502172	1	44	-2.0	-111.04	361.48	6.93	-104.11
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000502173	1	45	-2.0	-96.22	377.13	6.41	-89.81
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502174	0	42	-2.0	-109.17	352.70	5.50	-103.67
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)=C1	REAL300000502176	0	41	-2.0	-100.96	355.16	5.83	-95.13
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502177	1	47	-2.0	-112.48	377.34	7.50	-104.98
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000502178	0	38	-2.0	-106.34	337.70	5.18	-101.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502179	1	45	-2.0	-116.62	373.34	6.21	-110.41
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)(C)C)=C1	REAL300000502180	1	50	-2.0	-113.22	399.96	8.15	-105.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)(C)C)=C1	REAL300000502181	1	47	-2.0	-109.16	376.23	7.86	-101.30
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)(C)C)=C1	REAL300000502182	0	48	-2.0	-115.32	396.48	6.70	-108.62
CC(C)(C)OC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000502183	0	44	-2.0	-114.10	381.04	6.59	-107.51
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000502183	1	43	-3.0	-186.78	374.47	6.71	-180.07
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000502184	1	48	-2.0	-115.27	390.30	8.04	-107.23
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000502185	0	41	-2.0	-104.05	349.09	5.28	-98.77
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)=C1	REAL300000502186	0	45	-2.0	-112.69	374.97	5.23	-107.46
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)=CC=C1OCC(=O)[O-]	REAL300000502187	1	48	-2.0	-96.63	397.21	7.12	-89.51
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)(C)C)=C1	REAL300000502188	1	44	-2.0	-101.47	366.76	6.96	-94.51
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000502189	1	45	-2.0	-95.56	383.36	6.48	-89.08
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502190	1	48	-2.0	-117.32	395.21	7.12	-110.20
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000502191	0	41	-2.0	-107.25	355.75	6.03	-101.22
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000502192	0	41	-2.0	-95.60	359.11	6.70	-88.90
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000502193	1	41	-2.0	-97.48	350.58	6.18	-91.30
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000502194	0	38	-2.0	-99.70	338.32	5.26	-94.44
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000502195	1	41	-2.0	-101.43	352.47	6.20	-95.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)=C1F	REAL300000502196	0	44	-2.0	-109.00	371.81	6.85	-102.15
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000502197	0	41	-2.0	-97.63	351.51	6.22	-91.41
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000502198	1	41	-2.0	-95.56	358.55	6.55	-89.01
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)(C)C)=C1	REAL300000502199	1	44	-2.0	-103.27	375.49	7.35	-95.92
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000502200	1	41	-2.0	-99.44	356.88	6.23	-93.21
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000502201	0	43	-2.0	-95.45	374.25	6.80	-88.65
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000502202	0	42	-2.0	-109.57	355.76	3.86	-105.71
CC(C)(C)OC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000502202	1	42	-2.0	-107.86	355.06	4.75	-103.11
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000502203	1	44	-2.0	-101.18	368.22	6.93	-94.25
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)(C)C)=C1	REAL300000502204	1	44	-2.0	-107.61	356.35	6.79	-100.82
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000502205	1	44	-2.0	-109.46	370.89	6.79	-102.67
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)(C)C)=C1	REAL300000502206	1	44	-2.0	-98.13	361.46	6.92	-91.21
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)=CC(C(=O)[O-])=C1C	REAL300000502207	1	47	-2.0	-113.98	379.01	7.21	-106.77
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000502208	0	43	-2.0	-108.91	373.14	7.24	-101.67
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000502209	0	41	-2.0	-99.13	357.81	6.27	-92.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C(C)=C1C(=O)[O-]	REAL300000502210	1	47	-2.0	-112.17	379.86	7.57	-104.60
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502211	0	44	-2.0	-110.30	371.77	6.87	-103.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)=C1Cl	REAL300000502212	0	44	-2.0	-107.61	377.81	7.28	-100.33
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)=C1	REAL300000502213	0	44	-2.0	-116.31	371.09	6.84	-109.47
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502214	1	47	-2.0	-112.96	381.42	7.38	-105.58
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C=C1CC(=O)[O-]	REAL300000502215	1	48	-2.0	-111.88	396.53	6.27	-105.61
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)(C)C)=C1	REAL300000502216	1	44	-2.0	-100.41	372.40	7.32	-93.09
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000502217	1	44	-2.0	-108.29	377.27	7.11	-101.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502218	0	45	-2.0	-110.41	374.19	6.36	-104.05
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502219	1	44	-2.0	-103.89	375.95	7.10	-96.79
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000502220	1	44	-2.0	-98.31	362.18	6.70	-91.61
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)(C)C)=C1	REAL300000502221	1	44	-2.0	-108.59	365.59	6.97	-101.62
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000502222	0	43	-2.0	-118.70	369.78	8.00	-110.70
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000502223	0	41	-2.0	-115.53	349.71	6.18	-109.35
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502224	1	44	-2.0	-102.22	367.25	6.72	-95.50
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000502225	1	47	-2.0	-119.17	387.14	8.26	-110.91
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000502226	0	40	-2.0	-107.23	343.04	4.20	-103.03
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)(C)C)=C1	REAL300000502227	0	45	-2.0	-102.45	374.24	5.95	-96.50
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000502228	0	38	-2.0	-98.00	346.20	5.12	-92.88
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000502229	1	48	-2.0	-104.44	392.18	8.03	-96.41
CC(C)(C)OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000502230	1	48	-2.0	-109.13	391.49	8.02	-101.11
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000502231	0	44	-2.0	-103.75	368.18	6.13	-97.62
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000502232	1	41	-2.0	-106.84	364.19	3.73	-103.11
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000502234	1	41	-2.0	-109.38	359.67	3.70	-105.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(N)=O)C=C1	REAL300000502235	0	45	-2.0	-114.91	387.80	3.50	-111.41
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000502236	1	45	-2.0	-97.21	391.10	5.01	-92.20
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000502238	0	41	-2.0	-108.06	372.73	4.28	-103.78
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000502239	1	41	-2.0	-105.25	372.16	4.09	-101.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(N)=O)C=C2)=C1C	REAL300000502240	1	47	-2.0	-112.11	392.05	5.02	-107.09
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000502241	0	41	-2.0	-109.69	365.13	3.77	-105.92
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000502242	1	47	-2.0	-96.45	403.22	5.30	-91.15
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000502243	0	38	-2.0	-106.27	352.84	2.72	-103.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(N)=O)C=C1	REAL300000502244	1	44	-2.0	-110.21	375.09	4.50	-105.71
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000502246	1	42	-2.0	-107.95	366.30	3.06	-104.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(N)=O)C=C2)=C1	REAL300000502248	0	41	-2.0	-100.56	368.76	3.39	-97.17
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000502250	0	38	-2.0	-106.99	351.31	2.74	-104.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(N)=O)C=C1	REAL300000502252	1	47	-2.0	-112.25	389.80	5.42	-106.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000502253	0	41	-2.0	-103.50	362.69	2.85	-100.65
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(N)=O)C=C2)=C1	REAL300000502254	0	45	-2.0	-111.56	388.62	2.80	-108.76
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(N)=O)C=C1	REAL300000502255	1	44	-2.0	-100.86	380.36	4.53	-96.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(N)=O)C=C2)C=C(C(=O)[O-])S1	REAL300000502256	1	41	-2.0	-109.93	368.26	3.60	-106.33
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000502257	0	41	-2.0	-95.09	372.70	4.27	-90.82
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000502258	1	41	-2.0	-97.13	364.19	3.76	-93.37
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000502259	0	38	-2.0	-99.33	351.91	2.82	-96.51
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000502260	1	41	-2.0	-100.36	366.06	3.78	-96.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(N)=O)C=C2)=C1F	REAL300000502261	0	44	-2.0	-108.14	385.42	4.41	-103.73
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000502262	0	41	-2.0	-96.98	365.12	3.78	-93.20
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000502263	1	41	-2.0	-95.11	372.16	4.12	-90.99
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000502264	1	41	-2.0	-99.36	370.48	3.80	-95.56
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000502265	0	42	-2.0	-109.18	369.36	1.43	-107.75
CC(CC(N)=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000502265	1	42	-2.0	-111.99	368.55	2.21	-109.78
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000502266	1	44	-2.0	-100.93	381.82	4.49	-96.44
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(N)=O)C=C1	REAL300000502267	1	44	-2.0	-108.14	373.48	4.44	-103.70
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)CC(N)=O)C=C2)=CC(C(=O)[O-])=C1F	REAL300000502268	1	44	-2.0	-109.30	384.49	4.37	-104.93
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000502271	0	41	-2.0	-98.47	371.40	3.83	-94.64
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000502273	0	44	-2.0	-110.92	381.13	4.32	-106.60
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(N)=O)C=C2)=C1	REAL300000502274	0	44	-2.0	-115.48	384.67	4.41	-111.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000502276	1	45	-2.0	-109.26	387.68	3.94	-105.32
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000502279	0	41	-2.0	-114.72	363.31	3.74	-110.98
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000502280	1	44	-2.0	-103.01	384.62	4.37	-98.64
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000502281	0	40	-2.0	-107.95	355.86	1.83	-106.12
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)CC(N)=O)C=C1	REAL300000502282	0	45	-2.0	-101.71	387.86	3.51	-98.20
CC(CC(N)=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000502283	0	38	-2.0	-97.45	359.80	2.69	-94.76
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)CC(N)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000502284	0	44	-2.0	-103.31	381.78	3.71	-99.60
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000502285	1	37	-2.0	-104.91	346.41	6.36	-98.55
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000502286	1	37	-2.0	-95.13	341.86	6.33	-88.80
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000502287	1	37	-2.0	-107.42	341.87	6.32	-101.10
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000502288	0	41	-2.0	-113.30	370.02	6.12	-107.18
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000502289	1	41	-2.0	-94.94	373.32	7.62	-87.32
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000502290	1	40	-2.0	-108.58	357.89	6.86	-101.72
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000502291	0	37	-2.0	-103.41	354.94	6.90	-96.51
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000502292	1	37	-2.0	-103.34	354.38	6.72	-96.62
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000502293	1	43	-2.0	-111.01	374.55	7.67	-103.34
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000502294	0	37	-2.0	-104.97	347.35	6.39	-98.58
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000502295	1	43	-2.0	-94.22	385.43	7.92	-86.30
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000502296	0	34	-2.0	-101.75	335.05	5.34	-96.41
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000502297	1	40	-2.0	-108.89	357.30	7.11	-101.78
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000502298	1	41	-2.0	-93.59	372.94	6.61	-86.98
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000502299	0	38	-2.0	-105.81	348.52	5.67	-100.14
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000502301	0	37	-2.0	-97.88	350.98	6.01	-91.87
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000502302	1	43	-2.0	-110.12	373.33	7.65	-102.47
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000502303	0	34	-2.0	-103.16	333.52	5.36	-97.80
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000502304	1	41	-2.0	-113.28	369.16	6.39	-106.89
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000502305	1	46	-2.0	-111.12	395.77	8.34	-102.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(C(=O)OC)=C1	REAL300000502306	1	43	-2.0	-107.38	372.01	8.04	-99.34
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000502307	0	44	-2.0	-113.28	392.30	6.88	-106.40
COC(=O)C1=CC(C)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000502308	0	40	-2.0	-114.09	372.74	6.90	-107.19
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000502308	1	39	-3.0	-181.98	370.27	6.88	-175.10
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000502309	1	44	-2.0	-113.05	386.11	8.22	-104.83
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000502310	0	37	-2.0	-101.78	344.87	5.47	-96.31
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000502311	0	41	-2.0	-108.42	370.86	5.41	-103.01
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000502312	1	44	-2.0	-94.05	393.02	7.32	-86.73
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000502313	1	40	-2.0	-99.39	362.58	7.14	-92.25
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000502314	1	41	-2.0	-93.07	379.17	6.67	-86.40
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000502315	1	44	-2.0	-114.01	391.02	7.30	-106.71
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000502316	0	37	-2.0	-105.29	350.47	6.23	-99.06
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000502317	0	37	-2.0	-92.68	354.93	6.89	-85.79
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000502318	1	37	-2.0	-94.58	346.40	6.37	-88.21
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000502319	0	34	-2.0	-96.70	334.13	5.46	-91.24
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000502320	1	37	-2.0	-98.31	348.28	6.39	-91.92
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000502321	0	40	-2.0	-106.38	367.64	7.03	-99.35
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000502322	0	37	-2.0	-94.37	347.32	6.40	-87.97
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000502323	1	37	-2.0	-92.61	354.37	6.73	-85.88
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000502324	1	40	-2.0	-101.11	371.31	7.53	-93.58
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000502325	1	37	-2.0	-96.51	352.70	6.42	-90.09
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000502326	0	39	-2.0	-92.45	370.06	7.00	-85.45
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000502327	0	38	-2.0	-107.91	351.59	4.03	-103.88
COC(=O)C1=CC(C)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000502327	1	38	-2.0	-112.84	350.78	4.83	-108.01
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000502328	1	40	-2.0	-98.97	364.04	7.11	-91.86
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000502329	1	40	-2.0	-103.30	351.92	6.96	-96.34
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000502330	1	40	-2.0	-106.23	366.72	6.98	-99.25
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000502331	1	40	-2.0	-95.47	357.28	7.11	-88.36
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000502332	1	43	-2.0	-111.74	379.37	7.53	-104.21
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000502333	0	39	-2.0	-105.75	368.45	7.42	-98.33
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000502334	0	37	-2.0	-96.53	353.63	6.45	-90.08
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000502335	1	43	-2.0	-107.57	376.35	7.72	-99.85
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000502336	0	40	-2.0	-107.24	367.18	7.02	-100.22
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000502337	0	40	-2.0	-105.16	373.62	7.46	-97.70
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000502338	0	40	-2.0	-111.76	366.91	7.02	-104.74
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000502339	1	43	-2.0	-109.36	375.84	7.51	-101.85
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000502340	1	44	-2.0	-109.45	392.35	6.46	-102.99
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000502341	1	40	-2.0	-96.77	368.13	7.50	-89.27
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000502342	1	40	-2.0	-105.04	373.11	7.28	-97.76
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000502343	0	41	-2.0	-107.08	369.89	6.54	-100.54
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000502344	1	40	-2.0	-101.87	375.61	7.40	-94.47
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000502345	1	40	-2.0	-95.18	357.88	6.87	-88.31
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000502346	1	40	-2.0	-106.54	361.41	7.17	-99.37
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000502347	0	39	-2.0	-114.09	365.61	8.17	-105.92
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000502348	0	37	-2.0	-110.98	345.53	6.36	-104.62
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000502349	1	40	-2.0	-100.04	366.81	7.00	-93.04
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000502350	1	43	-2.0	-115.65	382.91	8.45	-107.20
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000502351	0	36	-2.0	-105.09	338.09	4.45	-100.64
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000502352	0	41	-2.0	-99.35	370.07	6.13	-93.22
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000502353	0	34	-2.0	-95.48	342.02	5.30	-90.18
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000502354	1	44	-2.0	-101.93	388.00	8.21	-93.72
COC(=O)C1=CC(C)=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000502355	1	44	-2.0	-104.67	387.32	8.21	-96.46
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000502356	0	40	-2.0	-101.84	364.00	6.32	-95.52
COC(=O)CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000502357	1	40	-2.0	-100.40	371.24	6.07	-94.33
COC(=O)CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000502358	1	40	-2.0	-113.55	371.26	6.06	-107.49
COC(=O)CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000502359	0	37	-2.0	-107.60	364.44	5.09	-102.51
COC(=O)CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C21	REAL300000502360	0	41	-2.0	-110.58	377.91	5.42	-105.16
COC(=O)CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000502361	0	37	-2.0	-107.95	362.91	5.10	-102.85
COC(=O)CN1N=CC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C21	REAL300000502362	0	40	-2.0	-105.94	374.26	5.22	-100.72
COC(=O)CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000502363	0	37	-2.0	-101.79	363.53	5.19	-96.60
COC(=O)CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000502364	0	39	-2.0	-109.29	368.25	4.12	-105.17
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000502365	1	34	-2.0	-101.99	329.30	5.72	-96.27
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000502366	1	34	-2.0	-92.33	324.74	5.70	-86.63
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000502367	0	34	-2.0	-104.13	324.76	5.69	-98.44
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300000502368	0	38	-2.0	-103.72	352.88	5.50	-98.22
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000502369	1	38	-2.0	-92.45	356.21	6.99	-85.46
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000502370	1	37	-2.0	-106.40	344.82	6.34	-100.06
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1F	REAL300000502371	0	34	-2.0	-100.78	337.82	6.26	-94.52
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1F	REAL300000502372	0	34	-2.0	-100.18	337.26	6.08	-94.10
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000502373	1	40	-2.0	-101.82	357.42	7.04	-94.78
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000502374	0	34	-2.0	-101.92	330.23	5.75	-96.17
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000502375	0	40	-2.0	-91.47	368.33	7.28	-84.19
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000502376	0	31	-2.0	-98.61	317.94	4.71	-93.90
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000502377	1	37	-2.0	-99.93	340.17	6.48	-93.45
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1F	REAL300000502378	1	38	-2.0	-91.09	355.83	5.98	-85.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000502379	0	35	-2.0	-102.45	331.40	5.05	-97.40
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1F	REAL300000502380	1	38	-2.0	-106.90	348.96	4.51	-102.39
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000502381	0	34	-2.0	-90.41	333.86	5.37	-85.04
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1F	REAL300000502382	1	40	-2.0	-101.18	355.81	7.04	-94.14
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000502383	0	31	-2.0	-100.05	316.40	4.73	-95.32
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1F	REAL300000502384	1	38	-2.0	-109.94	352.03	5.76	-104.18
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1F	REAL300000502385	1	43	-2.0	-101.69	378.65	7.70	-93.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC)C(F)=C1	REAL300000502386	1	40	-2.0	-105.47	354.91	7.43	-98.04
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1F	REAL300000502387	0	41	-2.0	-104.51	375.17	6.26	-98.25
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000502388	0	36	-3.0	-177.02	353.16	6.25	-170.77
COC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1F	REAL300000502388	1	37	-2.0	-108.83	359.84	6.12	-102.71
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1F	REAL300000502389	1	41	-2.0	-103.38	369.01	7.59	-95.79
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000502390	0	34	-2.0	-99.22	327.76	4.84	-94.38
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000502391	0	38	-2.0	-100.81	353.73	4.78	-96.03
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1F	REAL300000502392	1	41	-2.0	-91.45	375.89	6.68	-84.77
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1F	REAL300000502393	0	37	-2.0	-91.15	345.45	6.52	-84.63
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000502394	1	41	-2.0	-110.57	373.89	6.67	-103.90
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000502395	0	34	-2.0	-102.84	333.35	5.59	-97.25
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1F	REAL300000502396	0	34	-2.0	-90.00	337.81	6.25	-83.75
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000502397	0	34	-2.0	-92.07	329.28	5.73	-86.34
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000502398	0	31	-2.0	-93.73	317.02	4.82	-88.91
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000502399	0	34	-2.0	-95.21	331.16	5.76	-89.45
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1F	REAL300000502400	0	37	-2.0	-97.08	350.51	6.39	-90.69
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000502401	0	34	-2.0	-91.31	330.22	5.76	-85.55
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1F	REAL300000502402	1	34	-2.0	-90.00	337.25	6.09	-83.91
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000502403	0	34	-2.0	-93.73	335.57	5.78	-87.95
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1F	REAL300000502404	0	36	-2.0	-89.62	352.94	6.36	-83.26
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000502405	0	35	-2.0	-105.73	334.47	3.40	-102.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000502406	0	37	-2.0	-95.39	346.93	6.48	-88.91
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000502407	1	37	-2.0	-99.76	334.82	6.33	-93.43
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000502408	1	37	-2.0	-103.14	349.60	6.34	-96.80
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000502409	1	37	-2.0	-92.98	340.17	6.46	-86.52
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000502410	1	40	-2.0	-106.84	357.64	6.76	-100.08
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300000502411	0	36	-2.0	-103.16	351.31	6.78	-96.38
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1F	REAL300000502412	0	34	-2.0	-93.54	336.51	5.82	-87.72
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000502413	1	40	-2.0	-100.44	359.22	7.09	-93.35
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1F	REAL300000502414	0	37	-2.0	-98.02	350.06	6.39	-91.63
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1F	REAL300000502415	0	37	-2.0	-104.39	349.78	6.38	-98.01
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000502416	1	40	-2.0	-105.72	358.99	6.88	-98.84
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=C1F	REAL300000502417	1	41	-2.0	-106.70	375.22	5.82	-100.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000502418	0	38	-2.0	-103.68	352.77	5.91	-97.77
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000502419	1	37	-2.0	-92.35	340.76	6.23	-86.12
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1F	REAL300000502420	1	37	-2.0	-98.26	344.28	6.53	-91.73
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1F	REAL300000502421	0	36	-2.0	-110.39	348.48	7.55	-102.84
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000502422	0	34	-2.0	-103.77	328.40	5.72	-98.05
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000502423	0	37	-2.0	-96.83	349.69	6.37	-90.46
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000502424	0	33	-2.0	-95.72	321.73	3.75	-91.97
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000502425	0	38	-2.0	-91.76	352.94	5.49	-86.27
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000502426	0	31	-2.0	-92.80	324.91	4.68	-88.12
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1F	REAL300000502427	0	41	-2.0	-97.57	368.73	7.52	-90.05
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1F	REAL300000502428	0	41	-2.0	-100.69	370.19	7.58	-93.11
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000502429	0	37	-2.0	-99.36	346.89	5.70	-93.66
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000502430	1	38	-2.0	-105.81	354.17	6.43	-99.38
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000502431	1	38	-2.0	-96.10	349.63	6.41	-89.69
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000502432	1	38	-2.0	-108.29	349.64	6.40	-101.89
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)C=C21	REAL300000502433	0	42	-2.0	-112.11	377.78	6.20	-105.91
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C21	REAL300000502434	1	42	-2.0	-95.60	381.09	7.70	-87.90
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000502435	1	41	-2.0	-109.62	365.66	6.94	-102.68
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C21	REAL300000502436	0	38	-2.0	-102.33	362.71	6.98	-95.35
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000502437	1	38	-2.0	-104.16	362.15	6.80	-97.36
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C21	REAL300000502438	1	44	-2.0	-110.49	382.03	7.71	-102.78
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000502439	0	38	-2.0	-103.94	355.11	6.47	-97.47
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C21	REAL300000502440	1	44	-2.0	-94.72	393.20	7.99	-86.73
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000502441	0	35	-2.0	-101.30	342.82	5.43	-95.87
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C21	REAL300000502442	1	41	-2.0	-107.50	365.07	7.19	-100.31
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C21	REAL300000502443	1	42	-2.0	-94.24	380.71	6.69	-87.55
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C21	REAL300000502444	0	39	-2.0	-106.79	356.29	5.76	-101.03
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C21	REAL300000502446	0	38	-2.0	-98.95	358.76	6.09	-92.86
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=C21	REAL300000502447	1	44	-2.0	-110.15	380.71	7.75	-102.40
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000502448	0	35	-2.0	-104.08	341.29	5.45	-98.63
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OC)C(C(=O)[O-])=C3)C=C21	REAL300000502449	1	42	-2.0	-114.13	376.92	6.47	-107.66
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)C=C21	REAL300000502450	1	47	-2.0	-109.60	403.54	8.42	-101.18
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3CC)C=C21	REAL300000502451	1	44	-2.0	-105.81	379.79	8.14	-97.67
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C21	REAL300000502452	1	45	-2.0	-112.73	393.88	8.31	-104.42
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C21	REAL300000502453	0	38	-2.0	-101.87	352.65	5.56	-96.31
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C21	REAL300000502454	0	42	-2.0	-109.62	378.63	5.49	-104.13
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C21	REAL300000502455	1	41	-2.0	-99.37	370.35	7.23	-92.14
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C21	REAL300000502456	0	38	-2.0	-105.04	359.33	6.30	-98.74
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C21	REAL300000502457	0	38	-2.0	-93.68	362.69	6.97	-86.71
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000502458	1	38	-2.0	-95.65	354.17	6.44	-89.21
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000502459	0	35	-2.0	-96.39	341.91	5.53	-90.86
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000502460	1	38	-2.0	-97.92	356.03	6.47	-91.45
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C21	REAL300000502461	0	41	-2.0	-106.58	375.40	7.11	-99.47
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000502462	0	38	-2.0	-95.58	355.10	6.48	-89.10
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C21	REAL300000502463	1	38	-2.0	-93.65	362.14	6.81	-86.84
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000502464	1	38	-2.0	-96.25	360.45	6.50	-89.75
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000502465	0	39	-2.0	-106.36	359.35	4.12	-102.24
C=CCN1N=CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000502465	1	39	-2.0	-106.67	358.57	4.90	-101.77
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000502466	1	41	-2.0	-99.10	371.81	7.19	-91.91
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C21	REAL300000502467	1	41	-2.0	-103.59	359.71	7.04	-96.55
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000502468	1	41	-2.0	-105.79	374.46	7.05	-98.74
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C21	REAL300000502469	1	41	-2.0	-96.18	365.05	7.19	-88.99
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000502470	1	44	-2.0	-112.60	387.14	7.60	-105.00
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C21	REAL300000502471	0	38	-2.0	-97.02	361.40	6.53	-90.49
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=C21	REAL300000502472	1	44	-2.0	-107.67	384.12	7.80	-99.87
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C21	REAL300000502473	0	41	-2.0	-107.50	374.95	7.10	-100.40
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C21	REAL300000502474	0	41	-2.0	-113.93	374.67	7.10	-106.83
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC)C(C(=O)[O-])=C3)C=C21	REAL300000502475	1	44	-2.0	-110.10	383.58	7.59	-102.51
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CN(CC)C(C(=O)[O-])=C3)C=C21	REAL300000502476	0	42	-2.0	-107.97	377.66	6.63	-101.34
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C21	REAL300000502477	1	41	-2.0	-96.15	365.65	6.95	-89.20
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C21	REAL300000502478	1	41	-2.0	-104.98	369.59	7.23	-97.75
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000502479	0	38	-2.0	-113.25	353.25	6.43	-106.82
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C21	REAL300000502480	1	41	-2.0	-99.75	374.57	7.08	-92.67
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000502481	0	37	-2.0	-104.96	346.63	4.47	-100.49
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3OC)C=C21	REAL300000502482	0	42	-2.0	-100.24	377.84	6.21	-94.03
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000502483	0	35	-2.0	-96.03	349.78	5.38	-90.65
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C21	REAL300000502484	1	45	-2.0	-102.30	395.76	8.29	-94.01
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C21	REAL300000502485	1	45	-2.0	-106.48	395.08	8.29	-98.19
C=CCN1N=CC2=CC=C([N-]S(=O)(=O)C3=C(CC)OC(C(=O)[O-])=C3)C=C21	REAL300000502486	0	41	-2.0	-101.66	371.77	6.40	-95.26
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1	REAL300000502487	1	38	-2.0	-85.70	356.29	4.52	-81.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=CC=C1F	REAL300000502488	1	31	-2.0	-101.66	304.36	5.96	-95.70
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)F)C=C1	REAL300000502489	0	39	-2.0	-102.56	359.45	7.00	-95.56
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502491	1	31	-2.0	-103.96	299.85	5.92	-98.04
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)F)C=C1	REAL300000502492	0	35	-2.0	-109.06	327.98	5.72	-103.34
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1	REAL300000502493	1	35	-2.0	-91.63	331.28	7.22	-84.41
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502495	0	31	-2.0	-103.11	312.90	6.50	-96.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=CC=C1Cl	REAL300000502496	1	31	-2.0	-99.97	312.34	6.31	-93.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C(Cl)C=C1Cl	REAL300000502497	0	31	-2.0	-96.41	323.40	6.82	-89.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1C	REAL300000502498	1	37	-2.0	-107.25	330.25	7.19	-100.06
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502499	0	31	-2.0	-104.70	305.31	5.99	-98.71
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1	REAL300000502500	1	37	-2.0	-90.72	343.40	7.51	-83.21
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502501	0	28	-2.0	-101.46	293.02	4.94	-96.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)F)C=C1	REAL300000502502	1	34	-2.0	-108.68	315.26	6.71	-101.97
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000502504	1	32	-2.0	-102.46	306.48	5.27	-97.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502506	0	31	-2.0	-94.66	308.94	5.60	-89.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=CS1	REAL300000502508	0	28	-2.0	-102.95	291.48	4.96	-97.99
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000502509	1	39	-2.0	-104.33	358.12	5.74	-98.59
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502511	1	41	-2.0	-110.10	353.07	8.50	-101.60
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)F)C=C1	REAL300000502512	1	40	-2.0	-106.79	353.73	7.93	-98.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)F)C=C1	REAL300000502513	1	37	-2.0	-103.01	329.96	7.65	-95.36
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)F)C=C1	REAL300000502514	0	38	-2.0	-109.90	350.27	6.48	-103.42
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C(F)F)C=C2)=C1	REAL300000502515	0	34	-2.0	-110.31	330.93	6.44	-103.87
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502515	1	33	-3.0	-179.09	326.24	6.44	-172.65
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502516	1	38	-2.0	-109.53	342.10	7.77	-101.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000502517	0	31	-2.0	-98.05	302.87	5.07	-92.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=CC2=C1OCCO2	REAL300000502518	1	37	-2.0	-108.81	342.00	5.70	-103.11
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502519	0	35	-2.0	-106.07	326.82	4.96	-101.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=CC(Cl)=C1Cl	REAL300000502521	1	31	-2.0	-93.76	327.52	6.78	-86.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C(Cl)C=C1F	REAL300000502522	0	31	-2.0	-97.50	315.42	6.46	-91.04
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1Cl	REAL300000502523	1	35	-2.0	-88.90	346.93	6.74	-82.16
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)F)C=C1	REAL300000502525	1	34	-2.0	-96.75	318.54	6.69	-90.06
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1F	REAL300000502527	1	35	-2.0	-89.92	337.13	6.27	-83.65
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000502529	1	31	-2.0	-102.63	306.47	5.77	-96.86
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502530	0	31	-2.0	-94.46	326.06	6.89	-87.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C(Cl)=C1	REAL300000502531	0	31	-2.0	-92.15	312.88	6.49	-85.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1F	REAL300000502532	1	31	-2.0	-91.49	304.37	5.97	-85.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)S1	REAL300000502533	0	28	-2.0	-93.85	290.10	5.00	-88.85
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502534	1	31	-2.0	-95.02	306.24	5.99	-89.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1F	REAL300000502535	0	34	-2.0	-103.63	323.61	6.57	-97.06
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000502536	0	35	-2.0	-94.58	338.14	6.50	-88.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C(F)=C1	REAL300000502537	0	31	-2.0	-93.99	305.30	6.00	-87.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1Cl	REAL300000502538	1	31	-2.0	-89.52	312.34	6.33	-83.19
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)F)C=C1	REAL300000502539	1	34	-2.0	-98.45	327.28	7.07	-91.38
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1	REAL300000502540	1	39	-2.0	-88.52	363.58	7.34	-81.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=CC(F)=C1F	REAL300000502541	1	31	-2.0	-93.36	310.66	6.02	-87.34
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502542	1	33	-2.0	-89.30	328.02	6.60	-82.70
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502543	0	32	-2.0	-103.44	309.55	3.64	-99.80
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(F)F)C=C2)=C1	REAL300000502543	1	32	-2.0	-106.44	308.73	4.43	-102.01
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1	REAL300000502544	1	34	-2.0	-95.18	322.00	6.70	-88.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=CC(Cl)=C1F	REAL300000502545	1	31	-2.0	-94.74	320.55	6.46	-88.28
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)F)C=C1	REAL300000502546	1	34	-2.0	-101.53	313.65	6.67	-94.86
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=CC(C(=O)[O-])=C1F	REAL300000502547	1	34	-2.0	-102.97	324.67	6.58	-96.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=CC=C1[N+](=O)[O-]	REAL300000502550	0	33	-2.0	-102.79	326.41	7.02	-95.77
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502551	0	31	-2.0	-93.84	309.59	6.00	-87.84
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000502553	0	34	-2.0	-102.82	319.33	6.48	-96.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1Cl	REAL300000502554	0	34	-2.0	-102.53	329.58	7.01	-95.52
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502555	0	34	-2.0	-109.77	322.87	6.57	-103.20
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(F)F)C=C1	REAL300000502558	1	34	-2.0	-94.89	327.85	7.15	-87.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1C(F)(F)F	REAL300000502559	1	34	-2.0	-88.63	329.95	6.74	-81.89
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000502560	1	34	-2.0	-101.70	331.05	6.89	-94.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000502561	1	35	-2.0	-103.76	327.85	6.15	-97.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C(F)C(Cl)=C1F	REAL300000502563	0	31	-2.0	-91.64	325.41	6.48	-85.16
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000502564	1	34	-2.0	-98.59	333.61	6.99	-91.60
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000502565	0	40	-2.0	-100.95	349.27	8.06	-92.89
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000502566	0	35	-2.0	-106.27	338.16	6.51	-99.76
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C([N+](=O)[O-])=C1	REAL300000502568	0	36	-2.0	-98.97	340.55	8.09	-90.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1[N+](=O)[O-]	REAL300000502570	0	33	-2.0	-111.45	323.58	7.79	-103.66
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1F	REAL300000502571	0	31	-2.0	-108.33	303.49	5.96	-102.37
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000502572	1	34	-2.0	-96.83	324.79	6.60	-90.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=CC2=CC=CC=C21	REAL300000502573	1	37	-2.0	-112.21	340.87	8.06	-104.15
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C1	REAL300000502574	0	30	-2.0	-101.70	296.04	4.04	-97.66
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)F)C=C1	REAL300000502575	0	35	-2.0	-96.02	328.04	5.72	-90.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)=C(Cl)O1	REAL300000502576	0	28	-2.0	-92.01	299.98	4.90	-87.11
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(F)F)C=C3)C=C2)CC1	REAL300000502577	1	38	-2.0	-97.87	343.81	7.75	-90.12
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(F)F)C=C3)C=C2C1	REAL300000502578	1	38	-2.0	-101.51	343.29	7.76	-93.75
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000502579	0	34	-2.0	-97.90	321.95	5.91	-91.99
COCCOCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000502580	1	46	-2.0	-101.28	406.10	4.84	-96.44
COCCOCCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000502581	1	46	-2.0	-113.68	406.12	4.83	-108.85
COCCOCCOC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000502582	0	47	-2.0	-112.12	412.77	4.18	-107.94
COCCOCCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000502583	0	46	-2.0	-107.06	409.13	3.96	-103.10
COCCOCCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000502584	0	45	-2.0	-111.55	402.34	2.95	-108.60
CC1CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)=CC=C2O1	REAL300000502585	1	43	-2.0	-89.64	379.09	4.17	-85.47
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)CC2=C1	REAL300000502587	0	44	-2.0	-107.43	382.25	6.66	-100.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)CC2=C1	REAL300000502590	0	40	-2.0	-114.39	350.77	5.38	-109.01
CC1CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C2O1	REAL300000502593	0	36	-2.0	-104.45	335.70	6.14	-98.31
CC1CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2O1	REAL300000502596	0	36	-2.0	-106.01	328.11	5.63	-100.38
CC1CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2O1	REAL300000502598	0	33	-2.0	-102.75	315.82	4.59	-98.16
CC1CC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000502601	1	37	-2.0	-106.40	329.41	4.96	-101.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OC(C)CC3=C2)=C1	REAL300000502603	0	36	-2.0	-98.25	331.90	5.28	-92.97
CC1CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2O1	REAL300000502605	1	33	-2.0	-104.12	314.28	4.61	-99.51
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)CC2=C1	REAL300000502611	0	43	-2.0	-114.75	373.06	6.13	-108.62
CC1CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000502612	0	39	-2.0	-110.50	353.47	6.15	-104.35
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C)CC3=C2)C=C(C(=O)[O-])O1	REAL300000502614	0	36	-2.0	-102.56	325.64	4.71	-97.85
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC(C)CC3=C2)=C1	REAL300000502616	0	40	-2.0	-109.49	351.61	4.68	-104.81
CC1CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=CC=C2O1	REAL300000502618	1	36	-2.0	-101.08	340.23	6.16	-94.92
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)CC2=C1	REAL300000502621	1	39	-2.0	-99.55	343.49	6.43	-93.12
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C)CC3=C2)C=C(C(=O)[O-])S1	REAL300000502624	1	36	-2.0	-105.29	332.48	5.48	-99.81
CC1CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C2O1	REAL300000502625	1	36	-2.0	-93.57	335.68	6.14	-87.43
CC1CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2O1	REAL300000502627	0	33	-2.0	-97.57	314.90	4.70	-92.87
CC1CC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000502628	1	36	-2.0	-99.36	329.04	5.64	-93.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(C)CC3=C2)=C1F	REAL300000502629	0	39	-2.0	-107.41	348.38	6.27	-101.14
COC1=CC(S(=O)(=O)[N-]C2=CC=C3OC(C)CC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000502630	0	40	-2.0	-98.18	362.94	6.21	-91.97
CC1CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2O1	REAL300000502631	0	36	-2.0	-95.32	328.09	5.65	-89.67
CC1CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)=CC=C2O1	REAL300000502634	1	44	-2.0	-92.37	386.36	6.99	-85.38
CC1CC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C2O1	REAL300000502635	1	36	-2.0	-97.29	333.45	5.67	-91.62
CC1CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC=C2O1	REAL300000502636	1	38	-2.0	-93.39	350.82	6.25	-87.14
CC1CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2O1	REAL300000502637	0	37	-2.0	-108.06	332.50	3.31	-104.75
CC1CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2O1	REAL300000502637	1	37	-2.0	-105.88	331.67	4.13	-101.75
CC1CC2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=CC=C2O1	REAL300000502644	1	38	-2.0	-106.53	349.19	6.67	-99.86
CC1CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C2O1	REAL300000502645	0	36	-2.0	-97.52	334.39	5.70	-91.82
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3OC(C)CC3=C2)C=C1C(=O)[O-]	REAL300000502647	0	39	-2.0	-107.19	344.11	6.18	-101.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC(C)CC3=C2)=C1Cl	REAL300000502648	0	39	-2.0	-106.26	354.41	6.72	-99.54
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC(C)CC3=C2)=C1	REAL300000502649	0	39	-2.0	-113.05	347.67	6.27	-106.78
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2OC(C)CC2=C1	REAL300000502652	1	39	-2.0	-97.26	349.05	6.78	-90.48
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC(C)CC3=C2)C=C1C(=O)[O-]	REAL300000502654	1	40	-2.0	-108.18	350.66	5.79	-102.39
CC1CC2=CC([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)=CC=C2O1	REAL300000502657	1	45	-2.0	-105.93	372.10	7.71	-98.22
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3OC(C)CC3=C2)C=C1C(=O)[O-]	REAL300000502658	1	40	-2.0	-110.05	362.96	6.21	-103.84
CC1CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])=CC=C2O1	REAL300000502660	0	41	-2.0	-100.98	365.90	7.75	-93.23
CC1CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=CC=C2O1	REAL300000502662	0	38	-2.0	-115.06	346.53	7.46	-107.60
CC1CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2O1	REAL300000502663	0	36	-2.0	-111.92	326.45	5.63	-106.29
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3OC(C)CC3=C2)C=C1C(=O)[O-]	REAL300000502664	1	39	-2.0	-101.03	347.57	6.26	-94.77
CC1CC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C2O1	REAL300000502665	1	42	-2.0	-116.79	363.67	7.70	-109.09
CC1CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2O1	REAL300000502666	0	35	-2.0	-106.16	318.85	3.69	-102.47
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OC(C)CC2=C1	REAL300000502667	0	40	-2.0	-99.78	350.99	5.41	-94.37
CC1CC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2O1	REAL300000502668	0	33	-2.0	-96.25	322.78	4.54	-91.71
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC(C)CC3=C2)C=C(C(=O)[O-])O1	REAL300000502671	0	39	-2.0	-102.48	344.76	5.56	-96.92
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000502672	1	39	-2.0	-108.15	364.58	5.08	-103.07
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300000502674	1	39	-2.0	-110.79	360.07	5.04	-105.75
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2)=N1	REAL300000502675	1	43	-2.0	-97.72	391.50	6.35	-91.37
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)=N1	REAL300000502677	0	39	-2.0	-108.36	365.53	5.12	-103.24
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)=N1	REAL300000502678	0	36	-2.0	-105.17	353.23	4.07	-101.10
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2)=N1	REAL300000502679	1	42	-2.0	-111.89	375.49	5.84	-106.05
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000502680	1	40	-2.0	-109.23	366.70	4.41	-104.82
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2)=N1	REAL300000502681	0	39	-2.0	-101.96	369.16	4.73	-97.23
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)=N1	REAL300000502682	0	36	-2.0	-107.47	351.70	4.09	-103.38
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)=N1	REAL300000502683	0	39	-2.0	-104.90	363.08	4.19	-100.71
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2)=N1	REAL300000502684	1	39	-2.0	-108.29	368.67	4.94	-103.35
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)=N1	REAL300000502685	1	39	-2.0	-98.33	364.58	5.09	-93.24
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)=N1	REAL300000502686	0	36	-2.0	-100.67	352.31	4.17	-96.50
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300000502687	1	39	-2.0	-101.66	366.45	5.12	-96.54
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)=N1	REAL300000502688	0	39	-2.0	-98.34	365.52	5.12	-93.22
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)=N1	REAL300000502689	0	40	-2.0	-110.91	369.76	2.77	-108.14
CC1=NOC(CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)=N1	REAL300000502689	1	40	-2.0	-107.20	368.95	3.56	-103.64
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)=N1	REAL300000502690	1	42	-2.0	-101.92	382.22	5.84	-96.08
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2)=N1	REAL300000502691	1	42	-2.0	-109.11	373.34	5.81	-103.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(CC3=NC(C)=NO3)C=C2)C=C1C(=O)[O-]	REAL300000502693	1	43	-2.0	-110.47	388.07	5.27	-105.20
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)=N1	REAL300000502695	0	39	-2.0	-115.96	363.71	5.08	-110.88
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=N1	REAL300000502696	0	38	-2.0	-109.48	356.27	3.18	-106.30
CC1=NOC(CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)=N1	REAL300000502697	0	36	-2.0	-98.83	360.20	4.03	-94.80
CCC1=C(S(=O)(=O)[N-]C2=CC=C(CC3=NC(C)=NO3)C=C2)C=C(C(=O)[O-])O1	REAL300000502698	0	42	-2.0	-104.76	382.17	5.05	-99.71
CC1=CC=CC=C1OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000502699	1	42	-2.0	-97.81	375.27	8.58	-89.23
CC1=CC=CC=C1OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000502700	1	42	-2.0	-110.37	375.29	8.57	-101.80
CC1=CC=CC=C1OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000502701	1	45	-2.0	-112.87	395.57	9.24	-103.63
CC1=CC=CC=C1OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000502702	0	39	-2.0	-104.64	367.08	7.51	-97.13
CC1=CC=CC=C1OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000502703	1	45	-2.0	-110.62	389.32	9.28	-101.34
CC1=CC=CC=C1OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000502704	0	43	-2.0	-108.99	381.09	7.91	-101.08
CC1=CC=CC=C1OC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000502705	0	39	-2.0	-106.06	366.95	7.61	-98.45
CC1=C(S(=O)(=O)[N-]C2=CC(OC3=CC=CC=C3C)=CC=C2)C=C(C(=O)[O-])O1	REAL300000502706	0	42	-2.0	-103.79	376.90	7.63	-96.16
CC1=CC=CC=C1OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000502707	0	39	-2.0	-99.65	366.16	7.63	-92.02
CC1=CC=CC=C1OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000502708	0	43	-2.0	-109.25	383.61	6.21	-103.04
CC1=CC=CC=C1OC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000502708	1	43	-2.0	-108.30	382.49	7.05	-101.25
CC1=CC=CC=C1OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000502709	1	45	-2.0	-100.86	397.46	9.36	-91.50
CC1=CC=CC=C1OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000502710	1	45	-2.0	-107.53	384.51	9.18	-98.35
CC1=CC=CC=C1OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000502711	1	45	-2.0	-98.03	389.30	9.27	-88.76
CC1=CC=CC=C1OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000502712	1	45	-2.0	-97.82	391.54	9.15	-88.67
CC1=CC=CC=C1OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000502713	0	41	-2.0	-106.76	371.42	6.60	-100.16
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000502714	1	44	-2.0	-108.23	381.44	6.87	-101.36
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000502715	1	44	-2.0	-97.67	376.90	6.85	-90.82
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000502716	1	44	-2.0	-110.02	376.90	6.84	-103.18
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)(C)C)=C1	REAL300000502717	0	48	-2.0	-115.45	405.04	6.63	-108.82
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000502718	1	48	-2.0	-97.17	408.37	8.14	-89.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502719	1	47	-2.0	-112.21	392.92	7.37	-104.84
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000502720	0	44	-2.0	-105.49	389.97	7.41	-98.08
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000502721	1	44	-2.0	-106.72	389.42	7.23	-99.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)=C1C	REAL300000502722	1	50	-2.0	-112.75	409.58	8.18	-104.57
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000502723	0	44	-2.0	-107.36	382.38	6.90	-100.46
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000502724	1	50	-2.0	-96.43	420.48	8.42	-88.01
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000502725	0	41	-2.0	-104.20	370.08	5.85	-98.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)(C)C)=C1	REAL300000502726	1	47	-2.0	-110.59	392.33	7.62	-102.97
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502728	0	45	-2.0	-108.42	383.55	6.19	-102.23
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)=C1	REAL300000502730	0	44	-2.0	-100.85	386.01	6.53	-94.32
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000502732	0	41	-2.0	-105.63	368.55	5.87	-99.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)(C)C)=C1	REAL300000502734	1	50	-2.0	-108.74	407.04	8.56	-100.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000502735	0	44	-2.0	-103.49	379.90	5.97	-97.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)=C1	REAL300000502736	0	48	-2.0	-112.43	405.82	5.93	-106.50
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)(C)C)=C1	REAL300000502737	1	47	-2.0	-101.11	397.61	7.66	-93.45
CC1=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000502738	1	44	-2.0	-106.77	386.59	6.72	-100.05
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000502739	0	44	-2.0	-95.18	389.95	7.40	-87.78
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000502740	1	44	-2.0	-96.94	381.42	6.88	-90.06
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000502741	0	41	-2.0	-99.51	369.17	5.97	-93.54
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000502742	1	44	-2.0	-100.72	383.31	6.90	-93.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)=C1F	REAL300000502743	0	47	-2.0	-108.73	402.66	7.53	-101.20
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000502744	0	44	-2.0	-97.30	382.37	6.91	-90.39
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000502745	1	44	-2.0	-95.12	389.40	7.24	-87.88
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000502746	1	44	-2.0	-98.77	387.73	6.93	-91.84
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000502747	0	45	-2.0	-109.36	386.61	4.54	-104.82
CC(C)(C)OCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000502747	1	45	-2.0	-105.94	385.71	5.42	-100.52
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000502748	1	47	-2.0	-101.17	399.09	7.62	-93.55
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)(C)C)=C1	REAL300000502749	1	47	-2.0	-107.22	386.97	7.48	-99.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000502750	1	47	-2.0	-108.65	401.75	7.49	-101.16
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)=CC(C(=O)[O-])=C1C	REAL300000502752	1	50	-2.0	-114.22	409.79	7.90	-106.32
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000502753	0	44	-2.0	-98.91	388.66	6.97	-91.94
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502755	0	47	-2.0	-109.73	402.22	7.53	-102.20
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)=C1	REAL300000502756	0	47	-2.0	-116.36	401.94	7.53	-108.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502757	1	50	-2.0	-112.98	411.18	8.02	-104.96
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502758	0	48	-2.0	-109.69	404.92	7.06	-102.63
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000502759	1	47	-2.0	-97.79	392.91	7.38	-90.41
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000502761	0	44	-2.0	-115.60	380.56	6.88	-108.72
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000502762	1	47	-2.0	-102.40	398.08	7.40	-95.00
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000502763	0	43	-2.0	-107.93	373.12	4.97	-102.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(COC(C)(C)C)=C1	REAL300000502764	0	48	-2.0	-101.93	405.10	6.65	-95.28
CC(C)(C)OCC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000502765	0	41	-2.0	-97.58	377.05	5.84	-91.74
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(COC(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000502766	0	47	-2.0	-103.26	399.03	6.82	-96.44
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1N1CCOCC1=O	REAL300000502768	1	43	-2.0	-115.22	377.83	5.50	-109.72
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1N1CCOCC1=O	REAL300000502769	0	40	-2.0	-109.52	371.01	4.51	-105.01
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1N1CCOCC1=O	REAL300000502770	1	44	-2.0	-113.63	384.32	4.91	-108.72
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1N1CCOCC1=O	REAL300000502771	0	40	-2.0	-112.64	369.48	4.53	-108.11
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3CCOCC3=O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000502772	0	43	-2.0	-109.22	380.84	4.64	-104.58
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1N1CCOCC1=O	REAL300000502773	0	40	-2.0	-105.38	370.10	4.63	-100.75
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1N1CCOCC1=O	REAL300000502774	0	42	-2.0	-113.14	374.05	3.63	-109.51
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC=C([O-])C([N+](=O)[O-])=C3)C2=C1	REAL300000502780	0	35	-2.0	-117.02	326.45	6.70	-110.32
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C2=C1	REAL300000502790	0	35	-2.0	-142.61	325.98	7.57	-135.04
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300000502801	0	35	-2.0	-113.57	321.44	7.54	-106.03
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3)C2=C1	REAL300000502807	0	35	-2.0	-106.55	321.47	7.53	-99.02
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300000502828	0	39	-2.0	-140.20	345.08	7.40	-132.80
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300000502829	0	39	-2.0	-111.01	352.92	8.83	-102.18
CC1=CC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1C(=O)[O-]	REAL300000502834	0	38	-2.0	-106.37	337.50	8.07	-98.30
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C2=C1	REAL300000502846	0	35	-2.0	-133.13	328.40	7.86	-125.27
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C2=C1	REAL300000502847	0	35	-2.0	-139.53	333.96	7.94	-131.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=C1C	REAL300000502863	0	41	-2.0	-147.30	346.40	8.52	-138.78
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C2=C1	REAL300000502867	0	35	-2.0	-129.52	322.99	7.47	-122.05
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300000502872	0	41	-2.0	-111.93	365.03	9.12	-102.81
O=C([O-])C1=CSC(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300000502880	0	32	-2.0	-130.53	314.70	6.56	-123.97
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300000502883	0	38	-2.0	-116.96	338.33	8.38	-108.58
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300000502899	0	39	-2.0	-111.67	352.53	7.82	-103.85
CN1C=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1C(=O)[O-]	REAL300000502933	0	36	-2.0	-107.41	328.11	6.89	-100.52
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300000502937	0	39	-2.0	-147.11	338.20	6.05	-141.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300000502957	0	35	-2.0	-121.29	330.57	7.22	-114.07
CC1=CC(C)=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1C(=O)[O-]	REAL300000502960	0	41	-2.0	-146.99	345.80	8.54	-138.45
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=CS1	REAL300000502981	0	32	-2.0	-106.47	313.11	6.58	-99.89
COC1=CC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1C(=O)[O-]	REAL300000502985	0	39	-2.0	-149.84	348.75	7.61	-142.23
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300000502991	0	44	-2.0	-146.09	367.78	9.12	-136.97
CC1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300000502999	1	36	-2.0	-133.14	312.98	6.29	-126.85
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300000503000	0	41	-2.0	-126.56	353.92	9.11	-117.45
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300000503002	0	42	-2.0	-141.03	367.40	8.17	-132.86
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C2=C1	REAL300000503003	0	37	-3.0	-199.14	349.87	8.11	-191.03
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C2=C1	REAL300000503005	0	42	-2.0	-148.11	358.95	9.26	-138.85
CC1=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C(C(=O)[O-])O1	REAL300000503012	0	35	-2.0	-105.70	317.65	6.43	-99.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300000503026	0	39	-2.0	-129.94	344.90	6.62	-123.32
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C2=C1	REAL300000503029	0	35	-2.0	-131.79	332.97	7.87	-123.92
CC1=CC(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=CC=C1OCC(=O)[O-]	REAL300000503037	0	42	-2.0	-112.75	372.62	8.53	-104.22
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300000503048	0	38	-2.0	-134.51	334.80	8.02	-126.49
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1F	REAL300000503051	0	39	-2.0	-109.69	358.76	7.88	-101.81
CCOC1=CC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1C(=O)[O-]	REAL300000503061	0	42	-2.0	-111.66	370.61	8.51	-103.15
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)S1	REAL300000503072	1	38	-2.0	-114.76	349.29	3.93	-110.83
CC1=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C(C(=O)[O-])S1	REAL300000503087	0	35	-2.0	-139.35	324.20	7.21	-132.14
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C2=C1	REAL300000503134	0	35	-2.0	-108.68	328.37	7.83	-100.85
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C2=C1	REAL300000503135	0	35	-2.0	-117.71	326.00	7.57	-110.14
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)S1	REAL300000503142	0	32	-2.0	-119.58	313.73	6.66	-112.92
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3)C2=C1	REAL300000503144	0	35	-2.0	-103.68	327.87	7.60	-96.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=C1F	REAL300000503145	0	38	-2.0	-130.29	343.33	8.11	-122.18
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C2=C1	REAL300000503148	0	35	-2.0	-106.52	322.97	7.48	-99.04
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C2=C1	REAL300000503149	0	35	-2.0	-113.50	333.97	7.94	-105.56
CC(=O)NC1=CC(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=CC=C1[O-]	REAL300000503158	1	40	-2.0	-122.21	355.58	3.90	-118.31
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300000503161	0	38	-2.0	-136.19	343.55	8.42	-127.77
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C2=C1	REAL300000503169	0	35	-2.0	-132.38	332.30	7.63	-124.75
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C2=C1	REAL300000503170	0	37	-2.0	-125.22	349.65	8.20	-117.02
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000503183	0	35	-3.0	-201.73	323.09	6.19	-195.54
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C2=C1	REAL300000503183	1	36	-2.0	-105.66	325.64	5.37	-100.29
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300000503186	0	38	-2.0	-115.03	343.63	8.32	-106.71
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C2=C1	REAL300000503211	0	35	-2.0	-133.23	342.18	8.07	-125.16
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300000503218	0	38	-2.0	-107.14	323.94	7.85	-99.29
CC1=CC(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=CC(C(=O)[O-])=C1F	REAL300000503221	0	38	-2.0	-106.34	346.30	8.19	-98.15
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300000503222	0	38	-2.0	-118.74	329.51	7.98	-110.76
CC1=CC(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=CC(C(=O)[O-])=C1C	REAL300000503228	0	41	-2.0	-109.24	358.96	8.73	-100.51
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C2=C1	REAL300000503231	0	37	-2.0	-147.12	348.04	8.62	-138.50
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C2=C1	REAL300000503234	0	35	-2.0	-106.12	326.23	7.42	-98.70
CC1=CC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C(C)=C1C(=O)[O-]	REAL300000503241	0	41	-2.0	-128.52	357.64	9.01	-119.51
CC1=CC(F)=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1C(=O)[O-]	REAL300000503242	0	38	-2.0	-130.45	339.06	8.01	-122.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=C1Cl	REAL300000503243	0	38	-2.0	-134.57	347.17	8.41	-126.16
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300000503244	0	38	-2.0	-107.35	342.58	8.11	-99.24
CCC1=CC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1C(=O)[O-]	REAL300000503250	0	41	-2.0	-106.48	355.75	8.72	-97.76
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300000503255	0	38	-2.0	-111.04	343.35	7.53	-103.51
COC1=CC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1CC(=O)[O-]	REAL300000503263	0	42	-2.0	-109.54	371.94	7.67	-101.87
COC1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300000503265	1	37	-2.0	-130.55	321.04	4.91	-125.64
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300000503282	0	38	-2.0	-104.48	340.66	8.35	-96.13
CC1=CC(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=CC(C(=O)[O-])=C1Cl	REAL300000503286	0	38	-2.0	-104.41	352.69	8.49	-95.92
CCN1C=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1C(=O)[O-]	REAL300000503290	0	39	-2.0	-107.88	349.49	7.76	-100.12
CC1=C(Cl)C=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1C(=O)[O-]	REAL300000503366	0	38	-2.0	-134.35	355.25	8.60	-125.75
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)S1	REAL300000503372	1	35	-2.0	-112.42	334.70	3.34	-109.08
CC1=CC(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=CC=C1C(=O)[O-]	REAL300000503412	0	38	-2.0	-114.13	337.49	8.08	-106.05
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(C(F)(F)F)=CC=C3[O-])C2=C1	REAL300000503447	0	36	-2.0	-122.41	330.63	6.64	-115.77
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300000503460	0	38	-2.0	-116.95	342.81	8.43	-108.52
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C2=C1	REAL300000503462	0	37	-2.0	-125.63	344.44	9.31	-116.32
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C2=C1	REAL300000503498	0	35	-2.0	-107.16	321.23	7.45	-99.71
CC1=C(F)C=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1C(=O)[O-]	REAL300000503522	0	38	-2.0	-132.85	346.43	8.21	-124.64
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC([O-])=CC(C(F)(F)F)=C3)C2=C1	REAL300000503531	1	36	-2.0	-122.01	339.18	5.89	-116.12
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C2=C1	REAL300000503582	0	41	-2.0	-152.94	362.51	9.65	-143.29
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C2=C1	REAL300000503593	0	34	-2.0	-132.32	317.68	5.67	-126.65
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(F)=CC=C3[O-])C2=C1	REAL300000503611	0	33	-2.0	-123.64	297.97	5.69	-117.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300000503629	0	39	-2.0	-114.20	345.12	7.40	-106.80
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=C(Cl)O1	REAL300000503634	0	32	-2.0	-105.65	312.61	6.18	-99.47
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2=C1	REAL300000503643	0	33	-2.0	-121.25	324.28	6.69	-114.56
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300000503770	1	38	-2.0	-116.79	349.68	4.65	-112.14
CCOC(=O)C1=CC(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=N[N-]1	REAL300000503770	1	38	-2.0	-116.60	349.78	4.65	-111.95
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC(Cl)=C([O-])C=C3Cl)C2=C1	REAL300000503772	0	33	-2.0	-106.43	323.51	5.75	-100.68
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)S1	REAL300000503787	1	41	-2.0	-115.02	369.60	4.76	-110.26
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C2=C1	REAL300000503817	0	42	-2.0	-127.82	367.59	9.42	-118.40
O=C([O-])C1=CC=C2CCN(S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C2=C1	REAL300000503829	0	42	-2.0	-125.46	366.92	9.42	-116.04
CCC1=C(S(=O)(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C(C(=O)[O-])O1	REAL300000503842	0	38	-2.0	-117.07	346.77	7.44	-109.63
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=CC=C1F	REAL300000503848	0	39	-2.0	-120.04	358.17	4.10	-115.94
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=CC=C1F	REAL300000503848	1	39	-2.0	-167.87	358.92	3.68	-164.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C1	REAL300000503849	0	39	-2.0	-109.79	353.62	4.08	-105.71
O=C([O-])C1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CN3CCCCC3=N2)C=C1	REAL300000503849	1	39	-2.0	-107.86	353.45	2.98	-104.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=C1	REAL300000503850	0	39	-2.0	-122.73	353.64	4.07	-118.66
O=C([O-])C1=CC=CC(S(=O)(=O)N[N-]C(=O)C2=CN3CCCCC3=N2)=C1	REAL300000503850	1	39	-2.0	-115.09	353.47	2.98	-112.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CN2CCCCC2=[NH+]1	REAL300000503851	0	43	-2.0	-176.78	382.53	3.45	-173.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN2CCCCC2=N1	REAL300000503851	1	43	-2.0	-127.05	381.78	3.87	-123.18
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C1	REAL300000503852	0	43	-2.0	-109.08	385.09	5.37	-103.71
O=C([O-])C=CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CN3CCCCC3=N2)C=C1	REAL300000503852	1	43	-2.0	-106.34	384.92	4.28	-102.06
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000503853	0	42	-2.0	-125.30	373.71	4.72	-120.58
CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000503853	1	42	-2.0	-115.98	369.51	3.51	-112.47
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=C1	REAL300000503854	0	39	-2.0	-164.67	367.46	4.19	-160.48
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=C1	REAL300000503854	1	39	-2.0	-117.17	366.71	4.62	-112.55
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=CC=C1Cl	REAL300000503855	0	39	-2.0	-118.42	366.14	4.47	-113.95
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=CC=C1Cl	REAL300000503855	1	39	-2.0	-166.80	366.89	4.04	-162.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=C1C	REAL300000503856	0	45	-2.0	-124.03	386.31	5.33	-118.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[N-]C(=O)C2=CN3CCCCC3=N2)=C1C	REAL300000503856	1	45	-2.0	-112.03	376.40	5.24	-106.79
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=C1	REAL300000503857	0	39	-2.0	-168.13	359.87	3.70	-164.43
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=C1	REAL300000503857	1	39	-2.0	-118.87	359.12	4.13	-114.74
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C1	REAL300000503858	0	45	-2.0	-108.29	397.20	5.65	-102.64
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=C1	REAL300000503859	0	36	-2.0	-165.08	347.57	2.66	-162.42
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=C1	REAL300000503859	1	36	-2.0	-116.62	346.82	3.09	-113.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN2CCCCC2=N1	REAL300000503860	0	42	-2.0	-121.92	369.08	4.84	-117.08
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CN2CCCCC2=N1	REAL300000503860	1	42	-2.0	-110.32	359.45	4.73	-105.59
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=N2)C=C1	REAL300000503861	0	42	-3.0	-215.57	382.03	3.51	-212.06
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000503862	0	40	-2.0	-121.22	360.28	3.43	-117.79
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CN2CCCCC2=N1	REAL300000503863	0	43	-2.0	-111.27	368.21	2.76	-108.51
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN2CCCCC2=N1	REAL300000503863	1	43	-2.0	-122.46	377.85	2.87	-119.59
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=C1	REAL300000503864	0	39	-2.0	-160.76	363.50	3.32	-157.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=C1	REAL300000503864	1	39	-2.0	-112.65	362.76	3.75	-108.90
CC1=CC(C)=C(S(=O)(=O)N[N-]C(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000503865	0	45	-2.0	-120.51	384.88	4.26	-116.25
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000503865	1	45	-2.0	-123.19	385.10	5.37	-117.82
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=CS1	REAL300000503866	0	36	-2.0	-166.72	346.04	2.68	-164.04
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=CS1	REAL300000503866	1	36	-2.0	-118.22	345.29	3.11	-115.11
COC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000503867	0	43	-2.0	-129.28	380.76	3.04	-126.24
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000503867	1	43	-2.0	-128.60	380.93	4.13	-124.47
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN2CCCCC2=N1	REAL300000503868	0	45	-2.0	-119.71	383.78	5.59	-114.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[N-]C(=O)C1=CN2CCCCC2=N1	REAL300000503868	1	45	-2.0	-119.94	385.09	4.59	-115.35
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)C=C(C(=O)[O-])O1	REAL300000503869	0	39	-2.0	-162.39	357.39	2.79	-159.60
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C(C(=O)[O-])O1	REAL300000503869	1	39	-2.0	-115.01	356.65	3.21	-111.80
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=C1	REAL300000503870	0	43	-2.0	-125.71	382.54	3.17	-122.54
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=C1	REAL300000503870	1	43	-2.0	-173.36	383.37	2.73	-170.63
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN2CCCCC2=N1	REAL300000503871	0	42	-2.0	-112.53	374.35	4.86	-107.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=CN2CCCCC2=[NH+]1	REAL300000503871	1	42	-2.0	-159.25	375.09	4.43	-154.82
CC1=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C(C(=O)[O-])S1	REAL300000503872	0	39	-2.0	-118.35	362.24	3.96	-114.39
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)C=C(C(=O)[O-])S1	REAL300000503872	1	39	-2.0	-165.63	362.99	3.53	-162.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)C(Cl)=C1	REAL300000503873	0	39	-2.0	-153.26	367.43	4.19	-149.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C(Cl)=C1	REAL300000503873	1	39	-2.0	-107.43	366.69	4.62	-102.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C1F	REAL300000503874	0	39	-2.0	-109.23	358.16	4.10	-105.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)C=C1F	REAL300000503874	1	39	-2.0	-155.14	358.90	3.69	-151.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)S1	REAL300000503875	0	36	-2.0	-159.07	346.66	2.78	-156.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)S1	REAL300000503875	1	36	-2.0	-111.38	345.91	3.19	-108.19
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=C1	REAL300000503876	0	39	-2.0	-113.30	360.05	4.13	-109.17
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=C1	REAL300000503876	1	39	-2.0	-161.46	360.79	3.72	-157.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=C1F	REAL300000503877	0	42	-2.0	-170.13	380.13	4.34	-165.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=C1F	REAL300000503877	1	42	-2.0	-120.30	379.40	4.77	-115.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)C(F)=C1	REAL300000503878	0	39	-2.0	-156.96	359.87	3.71	-153.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C(F)=C1	REAL300000503878	1	39	-2.0	-109.41	359.10	4.14	-105.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C1Cl	REAL300000503879	0	39	-2.0	-107.30	366.12	4.48	-102.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)C=C1Cl	REAL300000503879	1	39	-2.0	-153.63	366.89	4.04	-149.59
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=C1	REAL300000503880	0	40	-2.0	-167.51	364.10	1.37	-166.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C1	REAL300000503881	0	42	-2.0	-112.61	375.81	4.85	-107.76
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=CN2CCCCC2=N1	REAL300000503882	0	42	-2.0	-120.12	363.71	4.69	-115.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[N-]C(=O)C1=CN2CCCCC2=N1	REAL300000503882	1	42	-2.0	-119.50	358.16	4.19	-115.31
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=CC(C(=O)[O-])=C1F	REAL300000503883	0	42	-2.0	-121.39	378.47	4.71	-116.68
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=CC(C(=O)[O-])=C1F	REAL300000503883	1	42	-2.0	-169.81	379.22	4.30	-165.51
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[N-]C(=O)C1=CN2CCCCC2=N1	REAL300000503884	0	42	-2.0	-105.27	359.49	4.70	-100.57
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CN2CCCCC2=N1	REAL300000503884	1	42	-2.0	-109.56	369.06	4.83	-104.73
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CN3CCCCC3=N2)=CC(C(=O)[O-])=C1C	REAL300000503885	0	45	-2.0	-127.33	390.27	4.15	-123.18
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=CC(C(=O)[O-])=C1C	REAL300000503885	1	45	-2.0	-127.47	390.44	5.23	-122.24
CC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CN3CCCCC3=N2)C(C)=C1C(=O)[O-]	REAL300000503886	0	45	-2.0	-124.59	378.24	5.32	-119.27
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C(C)=C1C(=O)[O-]	REAL300000503886	1	45	-2.0	-124.29	388.12	5.45	-118.84
CC1=CC(F)=C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)C=C1C(=O)[O-]	REAL300000503887	0	42	-2.0	-169.92	375.86	4.24	-165.68
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000503887	1	42	-2.0	-120.04	375.12	4.66	-115.38
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=C1	REAL300000503888	0	42	-2.0	-179.87	379.40	4.34	-175.53
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=C1	REAL300000503888	1	42	-2.0	-129.04	378.65	4.75	-124.29
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000503889	0	45	-2.0	-124.69	387.58	5.26	-119.43
CCC1=CC=C(S(=O)(=O)N[N-]C(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000503889	1	45	-2.0	-124.56	387.71	4.17	-120.39
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000503890	0	43	-2.0	-122.55	381.66	4.29	-118.26
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=CC=C1C(=O)[O-]	REAL300000503891	0	42	-2.0	-109.99	369.65	4.62	-105.37
CC1=CC(S(=O)(=O)N[N-]C(=O)C2=CN3CCCCC3=N2)=CC=C1C(=O)[O-]	REAL300000503891	1	42	-2.0	-108.06	369.47	3.53	-104.53
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CN2CCCCC2=N1	REAL300000503892	0	42	-2.0	-119.07	373.59	4.87	-114.20
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=CC=C1	REAL300000503893	0	39	-2.0	-178.60	358.00	3.66	-174.94
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=CC=C1	REAL300000503893	1	39	-2.0	-128.29	357.26	4.09	-124.20
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000503894	0	42	-2.0	-115.37	378.58	4.74	-110.63
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)C=C1C(=O)[O-]	REAL300000503894	1	42	-2.0	-164.15	379.33	4.32	-159.83
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=C1	REAL300000503895	0	38	-2.0	-170.17	350.60	1.77	-168.40
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=C1	REAL300000503895	1	38	-2.0	-120.24	349.86	2.21	-118.03
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=CN2CCCCC2=[NH+]1	REAL300000503896	0	43	-2.0	-162.29	382.59	3.45	-158.84
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=CN2CCCCC2=N1	REAL300000503896	1	43	-2.0	-114.12	381.84	3.87	-110.25
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)=C(Cl)O1	REAL300000503897	0	36	-2.0	-156.26	354.52	2.60	-153.66
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)=C(Cl)O1	REAL300000503897	1	36	-2.0	-109.37	353.79	3.05	-106.32
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=CN3CCCCC3=[NH+]2)C=C(C(=O)[O-])O1	REAL300000503898	0	42	-2.0	-161.31	376.51	3.58	-157.73
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CN3CCCCC3=N2)C=C(C(=O)[O-])O1	REAL300000503898	1	42	-2.0	-114.64	375.76	3.99	-110.65
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1	REAL300000503899	0	33	-3.0	-195.38	333.50	-3.56	-198.94
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC=C1F	REAL300000503900	0	26	-3.0	-216.79	281.57	-2.12	-218.91
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=N1	REAL300000503901	0	34	-3.0	-216.64	336.66	-1.05	-217.69
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503902	0	26	-3.0	-212.40	293.46	-1.46	-213.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1	REAL300000503903	0	26	-3.0	-203.73	277.02	-2.14	-205.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503904	0	26	-3.0	-222.06	277.04	-2.15	-224.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=N1	REAL300000503905	0	30	-3.0	-227.02	305.18	-2.34	-229.36
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC=C1Br	REAL300000503906	0	26	-3.0	-216.45	293.28	-1.66	-218.11
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1	REAL300000503907	0	30	-3.0	-202.21	308.49	-0.85	-203.06
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1C(=O)[O-]	REAL300000503908	0	29	-3.0	-225.91	297.11	-1.50	-227.41
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503909	0	26	-3.0	-213.81	290.11	-1.60	-215.41
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC=C1Cl	REAL300000503910	0	26	-3.0	-216.46	289.55	-1.75	-218.21
O=C([O-])C1=C(Cl)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503911	0	26	-3.0	-208.10	302.61	-1.23	-209.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1C	REAL300000503912	0	32	-3.0	-222.05	309.71	-0.88	-222.93
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503913	0	26	-3.0	-217.78	282.52	-2.08	-219.86
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1	REAL300000503914	0	32	-3.0	-202.08	320.60	-0.56	-202.64
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503915	0	23	-3.0	-212.96	270.22	-3.12	-216.08
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=N1	REAL300000503916	0	29	-3.0	-219.22	292.48	-1.38	-220.60
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1	REAL300000503917	0	30	-3.0	-201.08	308.11	-1.86	-202.94
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NOC=N3)C=C2)C1	REAL300000503918	0	37	-3.0	-199.18	353.88	-1.09	-200.27
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C(Br)S1	REAL300000503919	0	23	-3.0	-206.60	287.22	-2.37	-208.97
CN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1C(=O)[O-]	REAL300000503920	0	27	-3.0	-219.27	283.68	-2.79	-222.06
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=N1	REAL300000503921	0	30	-3.0	-219.35	301.25	-3.35	-222.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503922	0	26	-3.0	-207.92	286.16	-2.46	-210.38
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1C(=O)[O-]	REAL300000503923	0	32	-3.0	-221.71	308.50	-0.85	-222.56
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CS1	REAL300000503924	0	23	-3.0	-215.11	268.69	-3.12	-218.23
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC(C(=O)[O-])=C1OC	REAL300000503925	0	34	-3.0	-221.85	335.37	-2.34	-224.19
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1C(=O)[O-]	REAL300000503926	0	30	-3.0	-228.15	304.32	-2.08	-230.23
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503927	0	36	-3.0	-226.72	332.28	0.38	-226.34
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=N1	REAL300000503928	0	35	-3.0	-223.82	330.94	-0.19	-224.01
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=N1	REAL300000503929	0	32	-3.0	-215.52	307.17	-0.64	-216.16
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=N1	REAL300000503930	0	33	-3.0	-232.84	327.47	-1.58	-234.42
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503931	0	28	-4.0	-313.00	305.44	-1.58	-314.58
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503932	0	33	-3.0	-226.83	321.29	-0.28	-227.11
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C(C(=O)[O-])O1	REAL300000503933	0	26	-3.0	-208.56	280.05	-3.00	-211.56
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC2=C1OCCO2	REAL300000503934	0	32	-3.0	-227.68	319.20	-2.37	-230.05
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503935	0	30	-3.0	-227.79	305.94	-3.05	-230.84
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NOC=N3)C=C2C1	REAL300000503936	0	34	-3.0	-204.95	330.67	-1.53	-206.48
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC(Cl)=C1Cl	REAL300000503937	0	26	-3.0	-208.88	304.71	-1.30	-210.18
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503938	0	26	-3.0	-207.84	294.64	-1.59	-209.43
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1Cl	REAL300000503939	0	30	-3.0	-198.30	324.14	-1.32	-199.62
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC=C1OCC(=O)[O-]	REAL300000503940	0	33	-3.0	-202.01	328.18	-1.16	-203.17
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1F	REAL300000503941	0	36	-3.0	-197.21	356.78	-0.90	-198.11
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=N1	REAL300000503942	0	29	-3.0	-207.85	297.75	-1.36	-209.21
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC=C1OCCCC(=O)[O-]	REAL300000503943	0	39	-3.0	-201.10	370.63	-0.23	-201.33
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1F	REAL300000503944	0	30	-3.0	-198.63	314.33	-1.80	-200.43
CCOC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1C(=O)[O-]	REAL300000503945	0	33	-3.0	-229.00	326.17	-1.17	-230.17
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C(C(=O)[O-])S1	REAL300000503946	0	26	-3.0	-213.76	285.64	-2.26	-216.02
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503947	0	26	-3.0	-206.51	305.26	-1.15	-207.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C(Cl)=C1	REAL300000503948	0	26	-3.0	-200.46	290.09	-1.61	-202.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C(Br)=C1	REAL300000503949	0	26	-3.0	-199.22	293.43	-1.48	-200.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1F	REAL300000503950	0	26	-3.0	-201.57	281.55	-2.11	-203.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)S1	REAL300000503951	0	23	-3.0	-205.80	269.31	-3.02	-208.82
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503952	0	26	-3.0	-210.44	283.44	-2.08	-212.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1F	REAL300000503953	0	29	-3.0	-220.06	302.80	-1.44	-221.50
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C(Cl)C=C1C(=O)[O-]	REAL300000503954	0	30	-3.0	-205.13	317.35	-1.54	-206.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C(F)=C1	REAL300000503955	0	26	-3.0	-204.57	282.52	-2.08	-206.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1Cl	REAL300000503956	0	26	-3.0	-200.72	289.52	-1.75	-202.47
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=N1	REAL300000503957	0	29	-3.0	-210.02	306.48	-0.97	-210.99
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1	REAL300000503958	0	34	-3.0	-197.88	340.77	-0.74	-198.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1Br	REAL300000503959	0	26	-3.0	-200.64	293.26	-1.65	-202.29
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC(F)=C1F	REAL300000503960	0	26	-3.0	-205.93	287.86	-2.05	-207.98
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503961	0	28	-3.0	-203.26	305.23	-1.48	-204.74
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503962	0	27	-3.0	-216.39	286.75	-4.42	-220.81
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1	REAL300000503963	0	29	-3.0	-208.20	299.20	-1.36	-209.56
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC(Cl)=C1F	REAL300000503964	0	26	-3.0	-208.38	297.75	-1.62	-210.00
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=N1	REAL300000503965	0	29	-3.0	-220.37	287.11	-1.52	-221.89
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC(C(=O)[O-])=C1F	REAL300000503966	0	29	-3.0	-218.96	301.87	-1.50	-220.46
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=N1	REAL300000503967	0	29	-3.0	-202.93	292.46	-1.39	-204.32
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC(C(=O)[O-])=C1C	REAL300000503968	0	32	-3.0	-229.06	313.84	-0.98	-230.04
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC=C1[N+](=O)[O-]	REAL300000503969	0	28	-3.0	-214.18	303.59	-1.05	-215.23
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503970	0	26	-3.0	-207.85	288.79	-2.02	-209.87
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)S1	REAL300000503971	0	23	-3.0	-203.54	289.62	-2.48	-206.02
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C(C)=C1C(=O)[O-]	REAL300000503972	0	32	-3.0	-225.12	311.52	-0.77	-225.89
CC1=CC(F)=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1C(=O)[O-]	REAL300000503973	0	29	-3.0	-220.00	298.51	-1.55	-221.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1Cl	REAL300000503974	0	29	-3.0	-216.52	308.80	-1.03	-217.55
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503975	0	29	-3.0	-231.69	302.05	-1.46	-233.15
CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1C(=O)[O-]	REAL300000503976	0	32	-3.0	-225.95	310.97	-0.96	-226.91
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1CC(=O)[O-]	REAL300000503977	0	33	-3.0	-221.31	327.50	-2.02	-223.33
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=N1	REAL300000503978	0	29	-3.0	-211.24	303.81	-1.02	-212.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1C(F)(F)F	REAL300000503979	0	29	-3.0	-199.03	307.15	-1.33	-200.36
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC(C(=O)[O-])=C1Cl	REAL300000503980	0	29	-3.0	-219.16	308.26	-1.19	-220.35
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503981	0	26	-3.0	-213.37	298.33	-1.53	-214.90
CCN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1C(=O)[O-]	REAL300000503982	0	30	-3.0	-221.26	305.06	-1.93	-223.19
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C(C)=C1CC(=O)[O-]	REAL300000503983	0	38	-3.0	-230.74	341.44	0.69	-230.05
O=C([O-])C1=C(F)C(Cl)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503984	0	26	-3.0	-204.39	302.62	-1.59	-205.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C(OC(F)(F)F)=C1	REAL300000503985	0	30	-3.0	-203.68	321.74	-1.84	-205.52
CC1=C(Cl)C=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1C(=O)[O-]	REAL300000503986	0	29	-3.0	-216.37	310.78	-1.08	-217.45
CC(C)(C)C1=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C(C(=O)[O-])S1	REAL300000503987	0	35	-3.0	-213.79	326.76	-0.25	-214.04
COC1=CC(Cl)=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1C(=O)[O-]	REAL300000503988	0	30	-3.0	-219.42	317.36	-1.54	-220.96
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC=C1C(=O)[O-]	REAL300000503989	0	29	-3.0	-204.70	293.04	-1.60	-206.30
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C([N+](=O)[O-])=C1	REAL300000503990	0	31	-3.0	-211.42	320.31	-0.09	-211.51
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=N1	REAL300000503991	0	29	-3.0	-213.81	296.99	-1.36	-215.17
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC=C1	REAL300000503992	0	28	-3.0	-233.56	300.79	-0.30	-233.86
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC=C1	REAL300000503993	0	26	-3.0	-230.18	280.66	-2.12	-232.30
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C1C(=O)[O-]	REAL300000503994	0	29	-3.0	-213.78	301.98	-1.47	-215.25
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC2=CC=CC=C21	REAL300000503995	0	32	-3.0	-233.63	318.08	-0.02	-233.65
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000503996	0	25	-3.0	-220.00	273.26	-4.02	-224.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=N1	REAL300000503997	0	30	-3.0	-210.21	305.24	-2.34	-212.55
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C(Cl)O1	REAL300000503998	0	23	-3.0	-202.17	277.17	-3.18	-205.35
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=CC=C1OC(F)(F)F	REAL300000503999	0	30	-3.0	-214.89	320.82	-1.60	-216.49
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)=C1	REAL300000504000	0	29	-3.0	-211.53	320.39	-5.11	-216.64
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NOC=N3)C=C2)CC1	REAL300000504001	0	33	-3.0	-211.35	323.16	-0.26	-211.61
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NOC=N3)C=C2C1	REAL300000504002	0	33	-3.0	-223.90	322.49	-0.26	-224.16
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=N2)C=C(C(=O)[O-])O1	REAL300000504003	0	29	-3.0	-208.21	299.16	-2.22	-210.43
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1	REAL300000504004	0	34	-3.0	-196.01	338.72	-1.06	-197.07
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC=C1F	REAL300000504005	0	27	-3.0	-217.61	286.82	0.39	-217.22
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=C1	REAL300000504006	0	35	-3.0	-217.74	341.89	1.47	-216.27
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504007	0	27	-3.0	-213.35	298.69	1.04	-212.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1	REAL300000504008	0	27	-3.0	-204.46	282.25	0.36	-204.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504009	0	27	-3.0	-223.14	282.28	0.36	-222.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=C1	REAL300000504010	0	31	-3.0	-228.38	310.41	0.17	-228.21
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC=C1Br	REAL300000504011	0	27	-3.0	-217.41	298.53	0.85	-216.56
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1	REAL300000504012	0	31	-3.0	-202.87	313.71	1.65	-201.22
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1C(=O)[O-]	REAL300000504013	0	30	-3.0	-225.86	298.31	0.89	-224.97
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504014	0	27	-3.0	-214.86	295.34	0.90	-213.96
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC=C1Cl	REAL300000504015	0	27	-3.0	-217.45	294.79	0.75	-216.70
O=C([O-])C1=C(Cl)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504016	0	27	-3.0	-209.02	307.83	1.28	-207.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1C	REAL300000504017	0	33	-3.0	-223.29	314.94	1.62	-221.67
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504018	0	27	-3.0	-219.09	287.74	0.42	-218.67
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1	REAL300000504019	0	33	-3.0	-202.91	325.83	1.95	-200.96
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504020	0	24	-3.0	-213.76	275.45	-0.62	-214.38
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=C1	REAL300000504021	0	30	-3.0	-220.47	297.70	1.12	-219.35
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1	REAL300000504022	0	31	-3.0	-201.75	313.33	0.64	-201.11
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NOC=C3)C=C2)C1	REAL300000504023	0	38	-3.0	-199.80	359.10	1.41	-198.39
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C(Br)S1	REAL300000504024	0	24	-3.0	-207.37	292.44	0.13	-207.24
CN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1C(=O)[O-]	REAL300000504025	0	28	-3.0	-220.19	288.92	-0.30	-220.49
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=C1	REAL300000504026	0	31	-3.0	-220.46	306.47	-0.85	-221.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504027	0	27	-3.0	-208.72	291.38	0.04	-208.68
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1C(=O)[O-]	REAL300000504028	0	33	-3.0	-223.25	313.33	1.62	-221.63
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CS1	REAL300000504029	0	24	-3.0	-215.98	273.92	-0.62	-216.60
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC(C(=O)[O-])=C1OC	REAL300000504030	0	35	-3.0	-222.70	340.52	0.17	-222.53
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1C(=O)[O-]	REAL300000504031	0	31	-3.0	-229.17	309.55	0.42	-228.75
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504032	0	37	-3.0	-228.16	337.50	2.89	-225.27
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=C1	REAL300000504033	0	36	-3.0	-225.15	336.16	2.32	-222.83
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=C1	REAL300000504034	0	33	-3.0	-216.56	312.44	1.86	-214.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=C1	REAL300000504035	0	34	-3.0	-228.08	332.70	0.92	-227.16
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC(C(=O)[O-])=C1	REAL300000504036	0	29	-4.0	-314.31	310.68	0.91	-313.40
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504037	0	34	-3.0	-228.32	326.52	2.23	-226.09
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C(C(=O)[O-])O1	REAL300000504038	0	27	-3.0	-209.38	285.28	-0.50	-209.88
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC2=C1OCCO2	REAL300000504039	0	33	-3.0	-228.82	324.44	0.13	-228.69
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504040	0	31	-3.0	-228.55	311.17	-0.54	-229.09
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NOC=C3)C=C2C1	REAL300000504041	0	35	-3.0	-205.70	335.90	0.98	-204.72
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC(Cl)=C1Cl	REAL300000504042	0	27	-3.0	-209.71	309.95	1.21	-208.50
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504043	0	27	-3.0	-208.63	299.85	0.93	-207.70
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1Cl	REAL300000504044	0	31	-3.0	-198.85	329.38	1.18	-197.67
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC=C1OCC(=O)[O-]	REAL300000504045	0	34	-3.0	-202.66	333.42	1.35	-201.31
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1F	REAL300000504046	0	37	-3.0	-197.69	362.02	1.61	-196.08
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=C1	REAL300000504047	0	30	-3.0	-208.81	302.97	1.15	-207.66
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC=C1OCCCC(=O)[O-]	REAL300000504048	0	40	-3.0	-201.83	375.86	2.28	-199.55
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1F	REAL300000504049	0	31	-3.0	-199.10	319.58	0.70	-198.40
CCOC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1C(=O)[O-]	REAL300000504050	0	34	-3.0	-230.06	331.41	1.33	-228.73
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C(C(=O)[O-])S1	REAL300000504051	0	27	-3.0	-214.79	290.89	0.25	-214.54
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504052	0	27	-3.0	-207.39	310.48	1.35	-206.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C(Cl)=C1	REAL300000504053	0	27	-3.0	-200.97	295.31	0.90	-200.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C(Br)=C1	REAL300000504054	0	27	-3.0	-199.57	298.66	1.03	-198.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1F	REAL300000504055	0	27	-3.0	-202.20	286.79	0.40	-201.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)S1	REAL300000504056	0	24	-3.0	-206.44	274.53	-0.51	-206.95
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504057	0	27	-3.0	-211.35	288.67	0.42	-210.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1F	REAL300000504058	0	30	-3.0	-221.51	308.03	1.06	-220.45
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000504059	0	31	-3.0	-205.52	322.57	0.96	-204.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C(F)=C1	REAL300000504060	0	27	-3.0	-205.33	287.75	0.43	-204.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1Cl	REAL300000504061	0	27	-3.0	-201.36	294.76	0.76	-200.60
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=C1	REAL300000504062	0	30	-3.0	-211.09	311.71	1.53	-209.56
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1	REAL300000504063	0	35	-3.0	-198.48	346.01	1.77	-196.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1Br	REAL300000504064	0	27	-3.0	-201.28	298.50	0.85	-200.43
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC(F)=C1F	REAL300000504065	0	27	-3.0	-206.61	293.10	0.45	-206.16
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504066	0	29	-3.0	-204.09	310.46	1.03	-203.06
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504067	0	28	-3.0	-217.59	291.98	-1.92	-219.51
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1	REAL300000504068	0	30	-3.0	-209.33	304.43	1.14	-208.19
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC(Cl)=C1F	REAL300000504069	0	27	-3.0	-209.08	302.98	0.89	-208.19
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=C1	REAL300000504070	0	30	-3.0	-220.93	291.81	0.95	-219.98
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC(C(=O)[O-])=C1F	REAL300000504071	0	30	-3.0	-219.87	307.12	1.01	-218.86
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=C1	REAL300000504072	0	30	-3.0	-203.58	297.68	1.11	-202.47
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC(C(=O)[O-])=C1C	REAL300000504073	0	33	-3.0	-229.68	319.76	1.56	-228.12
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC=C1[N+](=O)[O-]	REAL300000504074	0	29	-3.0	-215.10	308.84	1.44	-213.66
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504075	0	27	-3.0	-208.90	294.02	0.48	-208.42
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)S1	REAL300000504076	0	24	-3.0	-204.03	294.84	0.02	-204.01
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C(C)=C1C(=O)[O-]	REAL300000504077	0	33	-3.0	-225.83	316.73	1.72	-224.11
CC1=CC(F)=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1C(=O)[O-]	REAL300000504078	0	30	-3.0	-221.50	303.74	0.96	-220.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1Cl	REAL300000504079	0	30	-3.0	-217.68	314.03	1.47	-216.21
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504080	0	30	-3.0	-232.59	307.28	1.05	-231.54
CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1C(=O)[O-]	REAL300000504081	0	33	-3.0	-226.95	316.55	1.54	-225.41
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1CC(=O)[O-]	REAL300000504082	0	34	-3.0	-229.61	332.74	0.49	-229.12
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=C1	REAL300000504083	0	30	-3.0	-211.89	308.53	1.45	-210.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1C(F)(F)F	REAL300000504084	0	30	-3.0	-199.64	312.38	1.17	-198.47
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC(C(=O)[O-])=C1Cl	REAL300000504085	0	30	-3.0	-220.20	313.51	1.32	-218.88
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504086	0	27	-3.0	-214.32	303.55	0.97	-213.35
CCN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1C(=O)[O-]	REAL300000504087	0	31	-3.0	-222.17	310.28	0.57	-221.60
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C(C)=C1CC(=O)[O-]	REAL300000504088	0	39	-3.0	-222.75	347.26	3.18	-219.57
O=C([O-])C1=C(F)C(Cl)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504089	0	27	-3.0	-205.31	307.85	0.91	-204.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C(OC(F)(F)F)=C1	REAL300000504090	0	31	-3.0	-204.22	326.97	0.66	-203.56
CC1=C(Cl)C=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1C(=O)[O-]	REAL300000504091	0	30	-3.0	-217.42	316.01	1.43	-215.99
CC(C)(C)C1=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C(C(=O)[O-])S1	REAL300000504092	0	36	-3.0	-214.54	331.99	2.25	-212.29
COC1=CC(Cl)=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1C(=O)[O-]	REAL300000504093	0	31	-3.0	-220.43	322.58	0.96	-219.47
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC=C1C(=O)[O-]	REAL300000504094	0	30	-3.0	-205.50	298.27	0.90	-204.60
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C([N+](=O)[O-])=C1	REAL300000504095	0	32	-3.0	-218.11	322.98	2.41	-215.70
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=C1	REAL300000504096	0	30	-3.0	-214.77	302.22	1.15	-213.62
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC=C1	REAL300000504097	0	29	-3.0	-234.16	306.02	2.20	-231.96
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC=C1	REAL300000504098	0	27	-3.0	-231.02	285.92	0.39	-230.63
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C1C(=O)[O-]	REAL300000504099	0	30	-3.0	-214.72	307.20	1.03	-213.69
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC2=CC=CC=C21	REAL300000504100	0	33	-3.0	-234.94	323.30	2.49	-232.45
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504101	0	26	-3.0	-221.04	278.49	-1.52	-222.56
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NOC=C1	REAL300000504102	0	31	-3.0	-211.03	310.47	0.17	-210.86
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C(Cl)O1	REAL300000504103	0	24	-3.0	-202.73	282.40	-0.68	-203.41
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=CC=C1OC(F)(F)F	REAL300000504104	0	31	-3.0	-215.76	326.05	0.91	-214.85
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)=C1	REAL300000504105	0	30	-3.0	-212.29	325.60	-2.60	-214.89
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NOC=C3)C=C2)CC1	REAL300000504106	0	34	-3.0	-212.29	328.39	2.24	-210.05
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NOC=C3)C=C2C1	REAL300000504107	0	34	-3.0	-224.69	327.72	2.25	-222.44
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NOC=C2)C=C(C(=O)[O-])O1	REAL300000504108	0	30	-3.0	-209.18	304.43	0.28	-208.90
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1O	REAL300000504109	0	42	-2.0	-90.46	374.57	2.28	-88.18
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000504110	0	35	-2.0	-108.08	322.64	3.71	-104.37
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1O	REAL300000504111	0	43	-2.0	-108.63	377.71	4.78	-103.85
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300000504112	0	35	-2.0	-97.19	318.09	3.70	-93.49
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1O	REAL300000504113	0	35	-2.0	-110.75	318.11	3.69	-107.06
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1O	REAL300000504114	0	39	-2.0	-116.11	346.23	3.49	-112.62
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1O	REAL300000504115	0	39	-2.0	-96.52	349.56	4.99	-91.53
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000504116	0	38	-2.0	-110.32	334.13	4.22	-106.10
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1O	REAL300000504117	0	35	-2.0	-105.82	331.18	4.27	-101.55
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000504118	0	35	-2.0	-106.52	330.61	4.07	-102.45
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1O	REAL300000504119	0	35	-2.0	-101.35	343.67	4.65	-96.70
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1O	REAL300000504120	0	41	-2.0	-113.74	350.77	5.04	-108.70
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1O	REAL300000504121	0	35	-2.0	-107.66	323.59	3.76	-103.90
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1O	REAL300000504122	0	41	-2.0	-96.09	361.69	5.27	-90.82
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1O	REAL300000504123	0	32	-2.0	-104.73	311.29	2.71	-102.02
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1O	REAL300000504124	0	38	-2.0	-111.50	333.53	4.47	-107.03
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1O	REAL300000504125	0	39	-2.0	-95.33	349.18	3.98	-91.35
CCC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1O	REAL300000504126	0	36	-2.0	-108.96	324.76	3.04	-105.92
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1O	REAL300000504127	0	39	-2.0	-112.05	341.88	2.53	-109.52
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1O	REAL300000504128	0	35	-2.0	-99.91	327.21	3.38	-96.53
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1O	REAL300000504129	0	41	-2.0	-112.91	349.56	5.01	-107.90
CCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1O	REAL300000504130	0	32	-2.0	-106.25	309.76	2.72	-103.53
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1O	REAL300000504131	0	43	-2.0	-111.23	376.44	3.50	-107.73
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1O	REAL300000504132	0	39	-2.0	-116.72	345.40	3.76	-112.96
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1O	REAL300000504133	0	45	-2.0	-115.63	373.33	6.32	-109.31
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1O	REAL300000504134	0	44	-2.0	-113.77	372.00	5.70	-108.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC)=C1O	REAL300000504135	0	41	-2.0	-109.63	348.22	5.42	-104.21
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1O	REAL300000504136	0	42	-2.0	-116.87	368.52	4.26	-112.61
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000504137	0	37	-3.0	-186.27	346.52	4.26	-182.01
CCC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000504137	1	38	-2.0	-106.23	346.52	4.21	-102.02
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1O	REAL300000504138	0	42	-2.0	-114.34	362.36	5.59	-108.75
CCC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1O	REAL300000504139	0	35	-2.0	-104.23	321.12	2.83	-101.40
CCC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1O	REAL300000504140	0	41	-2.0	-115.49	360.27	3.46	-112.03
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1O	REAL300000504141	0	39	-2.0	-110.26	347.02	2.78	-107.48
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1O	REAL300000504142	0	43	-2.0	-95.61	371.04	4.29	-91.32
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000504143	0	35	-2.0	-100.06	345.79	4.54	-95.52
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1O	REAL300000504144	0	35	-2.0	-102.38	335.71	4.28	-98.10
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1O	REAL300000504145	0	39	-2.0	-93.63	365.23	4.51	-89.12
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1O	REAL300000504146	0	42	-2.0	-95.82	369.27	4.67	-91.15
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1O	REAL300000504147	0	45	-2.0	-94.27	397.87	4.93	-89.34
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1O	REAL300000504148	0	38	-2.0	-101.78	338.81	4.51	-97.27
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1O	REAL300000504149	0	48	-2.0	-95.87	411.72	5.60	-90.27
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1O	REAL300000504150	0	39	-2.0	-94.55	355.42	4.03	-90.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC)=C2O)C=C1C(=O)[O-]	REAL300000504151	0	42	-2.0	-115.56	367.26	4.67	-110.89
CCC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1O	REAL300000504152	0	35	-2.0	-107.61	327.79	3.58	-104.03
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1O	REAL300000504153	0	35	-2.0	-98.75	346.34	4.71	-94.04
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1O	REAL300000504154	0	35	-2.0	-94.94	331.16	4.26	-90.68
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1O	REAL300000504155	0	35	-2.0	-96.45	322.62	3.72	-92.73
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1O	REAL300000504156	0	32	-2.0	-98.71	310.36	2.82	-95.89
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1O	REAL300000504157	0	35	-2.0	-100.04	324.53	3.75	-96.29
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1O	REAL300000504158	0	38	-2.0	-108.53	343.86	4.40	-104.13
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1O	REAL300000504159	0	39	-2.0	-99.14	358.41	4.32	-94.82
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1O	REAL300000504160	0	35	-2.0	-97.21	323.57	3.76	-93.45
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1O	REAL300000504161	0	35	-2.0	-94.63	330.59	4.08	-90.55
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1O	REAL300000504162	0	38	-2.0	-103.51	347.54	4.89	-98.62
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1O	REAL300000504163	0	43	-2.0	-93.24	381.84	5.10	-88.14
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000504164	0	35	-2.0	-99.31	328.93	3.78	-95.53
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1O	REAL300000504165	0	37	-2.0	-95.28	346.30	4.36	-90.92
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1O	REAL300000504166	0	36	-2.0	-110.23	327.83	1.41	-108.82
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1O	REAL300000504167	0	38	-2.0	-101.79	340.29	4.47	-97.32
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000504168	0	35	-2.0	-100.84	338.82	4.22	-96.62
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1O	REAL300000504169	0	38	-2.0	-105.17	328.15	4.32	-100.85
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000504170	0	38	-2.0	-107.80	342.95	4.34	-103.46
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1O	REAL300000504171	0	38	-2.0	-97.50	333.51	4.46	-93.04
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000504172	0	41	-2.0	-114.02	351.57	4.77	-109.25
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1O	REAL300000504173	0	37	-2.0	-108.82	344.66	4.78	-104.04
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1O	REAL300000504174	0	35	-2.0	-98.79	329.85	3.82	-94.97
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1O	REAL300000504175	0	41	-2.0	-109.80	351.63	5.10	-104.70
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1O	REAL300000504176	0	38	-2.0	-110.00	343.42	4.39	-105.61
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1O	REAL300000504177	0	38	-2.0	-106.74	349.89	4.83	-101.91
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1O	REAL300000504178	0	38	-2.0	-113.95	343.14	4.38	-109.57
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC)=C2O)C=C1C(=O)[O-]	REAL300000504179	0	41	-2.0	-111.03	352.43	4.87	-106.16
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1O	REAL300000504180	0	42	-2.0	-110.91	368.58	3.81	-107.10
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1O	REAL300000504181	0	38	-2.0	-98.69	344.36	4.88	-93.81
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1O	REAL300000504182	0	38	-2.0	-93.45	348.23	4.51	-88.94
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000504183	0	38	-2.0	-106.72	349.33	4.65	-102.07
CCC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1O	REAL300000504184	0	39	-2.0	-108.91	346.06	3.89	-105.02
CCC1=CC=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1O	REAL300000504185	0	47	-2.0	-109.48	383.03	6.54	-102.94
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1O	REAL300000504186	0	35	-2.0	-97.65	343.71	4.25	-93.40
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000504187	0	38	-2.0	-103.99	347.98	4.65	-99.34
CCC1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1O	REAL300000504188	0	44	-2.0	-107.38	367.54	5.83	-101.55
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1O	REAL300000504189	0	39	-2.0	-111.40	358.44	4.33	-107.07
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1O	REAL300000504190	0	38	-2.0	-97.46	334.12	4.24	-93.22
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1O	REAL300000504191	0	40	-2.0	-102.37	361.37	5.88	-96.49
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1O	REAL300000504192	0	38	-2.0	-109.03	337.64	4.52	-104.51
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1O	REAL300000504193	0	37	-2.0	-115.63	341.83	5.54	-110.09
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1O	REAL300000504194	0	35	-2.0	-113.10	321.74	3.72	-109.38
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000504195	0	38	-2.0	-102.26	339.28	4.25	-98.01
CCC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1O	REAL300000504196	0	41	-2.0	-117.48	359.15	5.81	-111.67
CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1O	REAL300000504197	0	34	-2.0	-107.18	315.09	1.76	-105.42
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1O	REAL300000504198	0	39	-2.0	-101.74	346.32	3.49	-98.25
CCC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1O	REAL300000504199	0	32	-2.0	-97.71	318.20	2.66	-95.05
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1O	REAL300000504200	0	42	-2.0	-104.23	364.24	5.57	-98.66
CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1O	REAL300000504201	0	42	-2.0	-107.80	362.20	5.55	-102.25
CCC1=C(S(=O)(=O)[N-]C2=C(O)C(CC)=CC=C2)C=C(C(=O)[O-])O1	REAL300000504202	0	38	-2.0	-104.08	340.22	3.68	-100.40
CC1(C)CC(O)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2O1	REAL300000504203	0	43	-2.0	-114.37	368.47	3.77	-110.60
CC1(C)CC(O)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2O1	REAL300000504204	0	43	-2.0	-103.54	363.93	3.75	-99.79
CC1(C)CC(O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2O1	REAL300000504205	0	43	-2.0	-116.34	363.94	3.74	-112.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3O)C=C1C(=O)[O-]	REAL300000504206	0	46	-2.0	-118.81	379.96	4.27	-114.54
CC1(C)CC(O)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2O1	REAL300000504207	0	43	-2.0	-113.71	369.40	3.80	-109.91
CC1(C)CC(O)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2O1	REAL300000504208	0	40	-2.0	-110.49	357.12	2.75	-107.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2O	REAL300000504209	0	46	-2.0	-116.36	379.37	4.52	-111.84
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3O)C=C1C(=O)[O-]	REAL300000504210	0	44	-2.0	-114.65	370.59	3.09	-111.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3O)=C1	REAL300000504211	0	43	-2.0	-107.07	373.05	3.42	-103.65
CC1(C)CC(O)C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2O1	REAL300000504212	0	40	-2.0	-112.67	355.59	2.77	-109.90
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3O)C=C(C(=O)[O-])O1	REAL300000504213	0	43	-2.0	-109.36	366.95	2.87	-106.49
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3O)C=C(C(=O)[O-])S1	REAL300000504214	0	43	-2.0	-112.62	373.63	3.62	-109.00
CC1(C)CC(O)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2O1	REAL300000504215	0	43	-2.0	-102.87	368.45	3.78	-99.09
CC1(C)CC(O)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2O1	REAL300000504216	0	40	-2.0	-105.68	356.20	2.86	-102.82
CC1(C)CC(O)C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2O1	REAL300000504217	0	43	-2.0	-107.81	370.34	3.80	-104.01
CC1(C)CC(O)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2O1	REAL300000504218	0	43	-2.0	-103.39	369.40	3.81	-99.58
CC1(C)CC(O)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2O1	REAL300000504219	0	44	-2.0	-115.02	373.65	1.44	-113.58
CC1(C)CC(O)C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2O1	REAL300000504220	0	46	-2.0	-108.45	386.11	4.51	-103.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2O	REAL300000504221	0	46	-2.0	-113.43	373.97	4.38	-109.05
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1OC(C)(C)CC2O	REAL300000504222	0	46	-2.0	-103.14	379.35	4.52	-98.62
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3O)C=C1C(=O)[O-]	REAL300000504223	0	47	-2.0	-116.03	391.96	3.95	-112.08
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3O)=CC=C1C(=O)[O-]	REAL300000504224	0	46	-2.0	-103.75	379.94	4.28	-99.47
CC1(C)CC(O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2O1	REAL300000504225	0	43	-2.0	-122.18	367.57	3.76	-118.42
CC1(C)CC(O)C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2O1	REAL300000504226	0	42	-2.0	-115.20	360.15	1.86	-113.34
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2OC(C)(C)CC3O)C=C(C(=O)[O-])O1	REAL300000504227	0	46	-2.0	-108.77	386.07	3.72	-105.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)=CC=C1F	REAL300000504236	0	38	-2.0	-112.31	357.10	5.37	-106.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C=C1	REAL300000504237	0	38	-2.0	-101.48	352.51	5.36	-96.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)=C1	REAL300000504238	0	38	-2.0	-116.24	352.57	5.34	-110.90
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C=C1	REAL300000504239	0	42	-2.0	-101.39	384.01	6.64	-94.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000504240	0	41	-2.0	-118.79	372.35	6.00	-112.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)=C1C	REAL300000504241	0	44	-2.0	-118.12	385.68	6.67	-111.45
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)=C1	REAL300000504242	0	38	-2.0	-112.66	358.00	5.41	-107.25
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C=C1	REAL300000504243	0	44	-2.0	-101.22	396.13	6.92	-94.30
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)=C1	REAL300000504244	0	35	-2.0	-110.16	345.75	4.35	-105.81
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1=CC=CC=N1	REAL300000504245	0	41	-2.0	-116.08	368.00	6.12	-109.96
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000504246	0	39	-2.0	-113.39	359.17	4.70	-108.69
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)=C1	REAL300000504247	0	38	-2.0	-105.49	361.71	5.03	-100.46
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000504248	0	44	-2.0	-117.15	383.76	6.66	-110.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)=CS1	REAL300000504249	0	35	-2.0	-110.78	344.22	4.37	-106.41
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1=CC=CC=N1	REAL300000504250	0	44	-2.0	-113.72	382.70	7.07	-106.65
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C=C(C(=O)[O-])O1	REAL300000504251	0	38	-2.0	-108.63	355.58	4.48	-104.15
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C=C(C(=O)[O-])S1	REAL300000504252	0	38	-2.0	-112.28	361.20	5.23	-107.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C=C1F	REAL300000504253	0	38	-2.0	-101.63	357.09	5.38	-96.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)S1	REAL300000504254	0	35	-2.0	-104.18	344.83	4.47	-99.71
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)=C1	REAL300000504255	0	38	-2.0	-105.88	358.98	5.41	-100.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C(F)=C1	REAL300000504256	0	38	-2.0	-102.01	358.03	5.41	-96.60
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)=C1	REAL300000504257	0	39	-2.0	-113.80	362.25	3.05	-110.75
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C=C1	REAL300000504258	0	41	-2.0	-106.55	374.73	6.12	-100.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1=CC=CC=N1	REAL300000504259	0	41	-2.0	-109.68	362.35	5.97	-103.71
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1=CC=CC=N1	REAL300000504260	0	41	-2.0	-101.03	367.92	6.11	-94.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)=CC(C(=O)[O-])=C1C	REAL300000504261	0	44	-2.0	-119.51	385.18	6.41	-113.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C(C)=C1C(=O)[O-]	REAL300000504262	0	44	-2.0	-112.86	387.16	6.73	-106.13
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000504263	0	44	-2.0	-115.76	386.84	6.53	-109.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300000504264	0	42	-2.0	-115.52	380.59	5.55	-109.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)=CC=C1C(=O)[O-]	REAL300000504265	0	41	-2.0	-103.99	372.33	5.98	-98.01
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)=C1F	REAL300000504266	0	38	-2.0	-116.59	356.13	5.38	-111.21
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)=C1	REAL300000504267	0	37	-2.0	-113.19	348.78	3.45	-109.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)=C(Cl)O1	REAL300000504268	0	35	-2.0	-102.56	352.68	4.30	-98.26
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2=CC=CC=N2)C=C(C(=O)[O-])O1	REAL300000504269	0	41	-2.0	-107.47	374.70	5.34	-102.13
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000504270	0	32	-2.0	-103.23	331.00	2.31	-100.92
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000504271	0	32	-2.0	-91.39	326.45	2.29	-89.10
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000504272	0	32	-2.0	-100.27	326.46	2.28	-97.99
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000504273	0	36	-2.0	-91.48	357.91	3.57	-87.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000504274	0	35	-2.0	-106.32	342.48	2.81	-103.51
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000504275	0	32	-2.0	-97.99	331.93	2.34	-95.65
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000504276	0	29	-2.0	-96.00	319.64	1.29	-94.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1C(N)=O	REAL300000504277	0	35	-2.0	-100.48	341.89	3.06	-97.42
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000504278	0	33	-2.0	-99.40	333.11	1.62	-97.78
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2C(N)=O)=C1	REAL300000504279	0	32	-2.0	-94.88	335.59	1.96	-92.92
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000504280	0	29	-2.0	-97.03	318.11	1.32	-95.71
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000504281	0	32	-2.0	-95.12	329.46	1.42	-93.70
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2C(N)=O)C=C(C(=O)[O-])S1	REAL300000504282	0	32	-2.0	-97.62	335.08	2.18	-95.44
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000504283	0	32	-2.0	-91.68	330.98	2.32	-89.36
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000504284	0	29	-2.0	-93.72	318.72	1.41	-92.31
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000504285	0	32	-2.0	-96.04	332.88	2.34	-93.70
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000504286	0	32	-2.0	-91.25	331.92	2.35	-88.90
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000504287	0	33	-2.0	-99.21	336.17	-0.02	-99.23
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000504288	0	35	-2.0	-94.18	348.63	3.05	-91.13
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1C(N)=O	REAL300000504289	0	35	-2.0	-101.93	336.50	2.91	-99.02
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1C(N)=O	REAL300000504290	0	35	-2.0	-90.91	341.87	3.05	-87.86
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2C(N)=O)C=C1C(=O)[O-]	REAL300000504291	0	36	-2.0	-100.59	354.49	2.50	-98.09
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2C(N)=O)=CC=C1C(=O)[O-]	REAL300000504292	0	35	-2.0	-92.77	346.53	2.92	-89.85
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000504293	0	32	-2.0	-110.24	330.09	2.30	-107.94
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000504294	0	31	-2.0	-101.88	322.67	0.40	-101.48
NC(=O)C1=C(F)C=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000504295	0	29	-2.0	-90.48	326.56	1.25	-89.23
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000504296	0	35	-2.0	-94.36	348.58	2.27	-92.09
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000504297	1	38	-2.0	-110.30	348.92	5.36	-104.94
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000504298	1	38	-2.0	-123.69	348.92	5.35	-118.34
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000504299	1	41	-2.0	-125.17	364.94	5.88	-119.29
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000504300	0	35	-2.0	-117.70	342.11	4.39	-113.31
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000504301	1	41	-2.0	-123.48	364.35	6.14	-117.34
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000504302	1	39	-2.0	-121.88	355.57	4.73	-117.15
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000504303	1	35	-2.0	-119.06	340.57	4.40	-114.66
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000504304	0	38	-2.0	-116.56	351.93	4.51	-112.05
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000504305	0	35	-2.0	-112.38	341.19	4.50	-107.88
COC(=O)C1=CC=C(OC)C(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000504306	0	39	-2.0	-118.54	355.03	4.76	-113.78
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000504306	1	39	-2.0	-121.83	358.63	3.08	-118.75
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000504307	1	41	-2.0	-113.83	371.09	6.13	-107.70
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000504308	1	41	-2.0	-121.05	362.77	6.10	-114.95
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000504309	1	41	-2.0	-109.94	364.34	6.14	-103.80
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000504310	1	41	-2.0	-110.62	364.93	5.90	-104.72
COC(=O)C1=CC=C(OC)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000504311	0	37	-2.0	-120.22	345.91	3.42	-116.80
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(Cl)=C1	REAL300000504325	1	27	-2.0	-98.64	302.01	5.77	-92.87
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(Cl)=C1	REAL300000504330	1	30	-2.0	-95.03	317.94	6.44	-88.59
C#CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(Cl)=C1	REAL300000504339	0	33	-2.0	-107.29	336.61	7.24	-100.05
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(Cl)=C1	REAL300000504353	1	27	-2.0	-93.75	301.06	5.89	-87.86
C#CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(Cl)=C1	REAL300000504362	0	31	-2.0	-104.68	313.12	5.34	-99.34
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(Cl)=C1	REAL300000504370	1	30	-2.0	-93.28	320.56	6.88	-86.40
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(Cl)=C1	REAL300000504384	1	35	-2.0	-96.09	352.08	8.95	-87.14
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(Cl)=C1	REAL300000504386	1	32	-2.0	-111.59	332.53	8.61	-102.98
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(Cl)=C1	REAL300000504390	1	29	-2.0	-101.77	305.04	4.87	-96.90
C#CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(Cl)=C1	REAL300000504392	1	27	-2.0	-92.33	308.90	5.74	-86.59
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=CC=C1F	REAL300000504396	1	29	-2.0	-93.35	299.30	3.51	-89.84
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1	REAL300000504397	1	29	-2.0	-95.71	294.73	3.48	-92.23
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1	REAL300000504398	1	29	-2.0	-92.83	294.75	3.47	-89.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C([O-])C=C1Cl	REAL300000504399	1	33	-2.0	-110.06	321.98	2.81	-107.25
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1	REAL300000504400	1	33	-2.0	-96.99	326.19	4.77	-92.22
CC1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000504401	1	32	-2.0	-113.64	310.78	4.00	-109.64
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1	REAL300000504402	1	29	-2.0	-102.27	306.76	3.66	-98.61
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=CC=C1Cl	REAL300000504403	1	29	-2.0	-90.65	307.28	3.88	-86.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1C	REAL300000504404	1	35	-2.0	-112.48	325.62	4.42	-108.06
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1	REAL300000504405	1	29	-2.0	-89.50	299.03	3.17	-86.33
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1	REAL300000504406	1	35	-2.0	-92.60	338.40	5.07	-87.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C([O-])C=C1Cl	REAL300000504408	1	32	-2.0	-109.75	311.15	4.33	-105.42
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1	REAL300000504409	1	33	-2.0	-93.74	325.80	3.77	-89.97
CN1C=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000504410	1	30	-2.0	-93.58	303.03	2.88	-90.70
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C([O-])C=C1Cl	REAL300000504411	1	33	-2.0	-111.44	316.92	1.92	-109.52
CC1=CC(C)=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000504413	1	35	-2.0	-110.58	327.35	4.88	-105.70
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=CS1	REAL300000504414	1	26	-2.0	-92.27	287.76	2.55	-89.72
COC1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000504415	1	33	-2.0	-98.00	322.03	3.55	-94.45
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1	REAL300000504416	1	39	-2.0	-112.45	347.80	5.71	-106.74
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C([O-])C=C1Cl	REAL300000504417	1	38	-2.0	-110.51	347.42	5.11	-105.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C([O-])C=C1Cl	REAL300000504418	1	35	-2.0	-110.48	323.28	4.62	-105.86
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C([O-])C=C1Cl	REAL300000504419	1	36	-2.0	-114.97	343.09	3.56	-111.41
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=C(O)C=C2Cl)=C1	REAL300000504420	0	32	-2.0	-109.23	326.70	3.27	-105.96
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1	REAL300000504420	1	31	-3.0	-176.00	323.13	4.04	-171.96
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1	REAL300000504421	1	36	-2.0	-112.86	337.81	4.99	-107.87
CC1=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C(C(=O)[O-])O1	REAL300000504422	1	29	-2.0	-105.42	297.18	2.22	-103.20
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1	REAL300000504423	1	33	-2.0	-96.99	322.27	2.16	-94.83
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C(Cl)C=C1F	REAL300000504424	1	29	-2.0	-101.86	311.27	3.69	-98.17
CC1=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=CC=C1OCC(=O)[O-]	REAL300000504425	1	36	-2.0	-93.30	345.95	4.48	-88.82
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C([O-])C=C1Cl	REAL300000504426	1	32	-2.0	-102.20	316.46	4.36	-97.84
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1F	REAL300000504427	1	33	-2.0	-97.73	332.06	3.82	-93.91
CCOC1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000504428	1	36	-2.0	-121.22	343.89	4.46	-116.76
CC1=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C(C(=O)[O-])S1	REAL300000504429	1	29	-2.0	-108.22	303.22	2.98	-105.24
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C(Cl)=C1	REAL300000504430	1	29	-2.0	-91.65	306.70	3.65	-88.00
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1F	REAL300000504431	1	29	-2.0	-98.92	299.22	3.51	-95.41
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1	REAL300000504433	1	29	-2.0	-105.34	301.19	3.54	-101.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1F	REAL300000504434	1	32	-2.0	-89.81	319.27	3.79	-86.02
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C(F)=C1	REAL300000504435	1	29	-2.0	-94.41	298.99	3.18	-91.23
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1Cl	REAL300000504436	1	29	-2.0	-94.97	307.20	3.86	-91.11
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C([O-])C=C1Cl	REAL300000504437	1	32	-2.0	-103.29	325.24	4.76	-98.53
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=CC(F)=C1F	REAL300000504438	1	29	-2.0	-90.02	305.57	3.58	-86.44
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1	REAL300000504439	1	31	-2.0	-87.15	322.97	4.14	-83.01
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=C(O)C=C2Cl)=C1	REAL300000504440	0	30	-2.0	-108.34	303.52	0.85	-107.49
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1	REAL300000504441	1	32	-2.0	-93.42	317.00	4.26	-89.16
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=CC(Cl)=C1F	REAL300000504442	1	29	-2.0	-89.79	315.46	4.00	-85.79
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(F)=C([O-])C=C1Cl	REAL300000504443	1	32	-2.0	-94.20	305.63	4.21	-89.99
CC1=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=CC(C(=O)[O-])=C1F	REAL300000504444	1	32	-2.0	-115.25	319.54	4.13	-111.12
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(F)=C([O-])C=C1Cl	REAL300000504445	1	32	-2.0	-97.16	311.07	4.33	-92.83
CC1=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=CC(C(=O)[O-])=C1C	REAL300000504446	1	35	-2.0	-93.15	327.26	4.53	-88.62
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=CC=C1[N+](=O)[O-]	REAL300000504447	1	31	-2.0	-96.91	321.39	4.58	-92.33
CC1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C(C)=C1C(=O)[O-]	REAL300000504449	1	35	-2.0	-98.25	326.08	4.50	-93.75
CC1=CC(F)=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000504450	1	32	-2.0	-91.02	318.75	3.81	-87.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1Cl	REAL300000504451	1	32	-2.0	-103.22	325.44	4.22	-99.00
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1	REAL300000504452	1	32	-2.0	-117.52	318.59	3.79	-113.73
CCC1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000504453	1	35	-2.0	-114.51	328.96	4.67	-109.84
COC1=CC=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1CC(=O)[O-]	REAL300000504454	1	36	-2.0	-98.59	345.23	3.61	-94.98
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC(F)=C([O-])C=C1Cl	REAL300000504455	1	32	-2.0	-89.81	318.73	4.27	-85.54
CC1=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=CC(C(=O)[O-])=C1Cl	REAL300000504456	1	32	-2.0	-112.16	325.93	4.44	-107.72
CCN1C=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000504457	1	33	-2.0	-110.87	324.39	3.75	-107.12
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000504458	1	32	-2.0	-88.39	324.38	4.41	-83.98
CC1=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000504459	1	32	-2.0	-93.82	311.33	4.07	-89.75
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C([O-])C=C1Cl	REAL300000504460	1	32	-2.0	-111.57	312.68	3.90	-107.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C([O-])C=C2Cl)=C1[N+](=O)[O-]	REAL300000504461	0	30	-3.0	-186.49	319.03	5.39	-181.10
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1[N+](=O)[O-]	REAL300000504461	1	31	-2.0	-98.60	317.23	4.91	-93.69
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=C1F	REAL300000504462	1	29	-2.0	-117.44	297.23	3.13	-114.31
CC1=C(F)C=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C1C(=O)[O-]	REAL300000504463	1	32	-2.0	-88.26	315.70	4.03	-84.23
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)=CC2=CC=CC=C21	REAL300000504464	1	35	-2.0	-97.39	335.21	5.58	-91.81
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C([O-])C=C2Cl)=C1	REAL300000504465	0	27	-3.0	-174.51	292.31	1.59	-172.92
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(F)=C([O-])C=C1Cl	REAL300000504466	1	33	-2.0	-91.78	321.35	3.28	-88.50
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3=CC(F)=C([O-])C=C3Cl)C=C2)CC1	REAL300000504468	1	36	-2.0	-92.53	340.95	5.36	-87.17
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3=CC(F)=C([O-])C=C3Cl)C=C2C1	REAL300000504469	1	36	-2.0	-111.27	338.88	5.35	-105.92
CCC1=C(S(=O)(=O)NC2=CC(F)=C([O-])C=C2Cl)C=C(C(=O)[O-])O1	REAL300000504470	1	32	-2.0	-105.24	314.06	3.08	-102.16
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000504471	0	41	-2.0	-90.49	368.36	2.69	-87.80
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000504472	0	34	-2.0	-106.57	316.44	4.14	-102.43
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000504473	0	42	-2.0	-108.17	371.54	5.20	-102.97
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=N1	REAL300000504474	0	34	-2.0	-104.49	328.32	4.81	-99.68
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000504475	0	34	-2.0	-96.65	311.89	4.10	-92.55
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000504476	0	34	-2.0	-109.01	311.90	4.10	-104.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000504477	0	38	-2.0	-114.93	340.06	3.91	-111.02
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000504478	0	34	-2.0	-104.49	328.15	4.59	-99.90
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000504479	0	38	-2.0	-96.46	343.35	5.40	-91.06
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000504480	0	37	-2.0	-110.14	327.92	4.63	-105.51
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000504481	0	34	-2.0	-105.11	324.97	4.67	-100.44
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000504482	0	34	-2.0	-104.94	324.41	4.50	-100.44
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=N1	REAL300000504483	0	34	-2.0	-100.80	337.48	5.05	-95.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=C1C	REAL300000504484	0	40	-2.0	-112.48	344.31	5.42	-107.06
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000504485	0	34	-2.0	-106.55	317.38	4.16	-102.39
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000504486	0	40	-2.0	-95.86	355.47	5.69	-90.17
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000504487	0	31	-2.0	-103.27	305.09	3.13	-100.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000504488	0	37	-2.0	-110.51	327.35	4.89	-105.62
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000504489	0	38	-2.0	-95.11	342.97	4.38	-90.73
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C=N1	REAL300000504490	0	45	-2.0	-91.75	388.74	5.15	-86.60
CC(C)N1C=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=N1	REAL300000504491	0	31	-2.0	-100.58	322.09	3.88	-96.70
CC(C)N1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000504492	0	35	-2.0	-107.57	318.55	3.46	-104.11
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000504493	0	38	-2.0	-110.92	336.11	2.92	-108.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=C1	REAL300000504494	0	34	-2.0	-99.43	321.03	3.78	-95.65
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000504495	0	40	-2.0	-112.02	342.99	5.44	-106.58
CC(C)N1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000504496	0	31	-2.0	-104.73	303.55	3.14	-101.59
COC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000504497	0	42	-2.0	-109.34	370.21	3.92	-105.42
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000504498	0	38	-2.0	-114.93	339.19	4.17	-110.76
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000504499	0	44	-2.0	-114.43	367.16	6.73	-107.70
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000504500	0	43	-2.0	-112.76	365.81	6.10	-106.66
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000504501	0	40	-2.0	-108.94	342.05	5.81	-103.13
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000504502	0	41	-2.0	-114.97	362.35	4.68	-110.29
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000504503	0	36	-3.0	-183.15	340.32	4.67	-178.48
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000504504	0	41	-2.0	-114.78	356.15	6.00	-108.78
CC1=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000504505	0	34	-2.0	-103.40	314.91	3.25	-100.15
CC(C)N1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000504506	0	40	-2.0	-113.82	354.07	3.88	-109.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=C1	REAL300000504507	0	38	-2.0	-109.93	340.89	3.20	-106.73
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000504508	0	42	-2.0	-96.47	365.54	4.72	-91.75
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000504509	0	34	-2.0	-98.65	339.57	4.95	-93.70
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000504510	0	34	-2.0	-101.87	329.50	4.68	-97.19
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000504511	0	38	-2.0	-93.63	359.00	4.93	-88.70
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000504512	0	41	-2.0	-95.62	363.06	5.09	-90.53
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=N1	REAL300000504513	0	44	-2.0	-94.52	391.64	5.36	-89.16
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000504514	0	37	-2.0	-101.03	332.62	4.92	-96.11
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000504515	0	47	-2.0	-95.84	405.50	6.02	-89.82
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000504516	0	38	-2.0	-94.64	349.20	4.45	-90.19
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000504517	0	41	-2.0	-115.50	361.04	5.08	-110.42
CC1=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000504518	0	34	-2.0	-106.70	321.61	3.99	-102.71
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000504519	0	34	-2.0	-98.88	340.14	5.13	-93.75
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000504520	0	34	-2.0	-94.33	324.96	4.67	-89.66
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=N1	REAL300000504521	0	34	-2.0	-93.83	328.32	4.80	-89.03
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000504522	0	34	-2.0	-96.12	316.43	4.14	-91.98
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000504523	0	31	-2.0	-98.27	304.17	3.23	-95.04
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000504524	0	34	-2.0	-99.95	318.30	4.16	-95.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=C1F	REAL300000504525	0	37	-2.0	-107.95	337.68	4.80	-103.15
COC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000504526	0	38	-2.0	-98.84	352.23	4.73	-94.11
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000504527	0	34	-2.0	-95.89	317.38	4.18	-91.71
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000504528	0	34	-2.0	-94.24	324.39	4.51	-89.73
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000504529	0	37	-2.0	-102.71	341.36	5.31	-97.40
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000504530	0	42	-2.0	-93.32	375.65	5.51	-87.81
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000504531	0	34	-2.0	-93.79	328.13	4.60	-89.19
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000504532	0	34	-2.0	-98.08	322.72	4.19	-93.89
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000504533	0	36	-2.0	-94.04	340.09	4.77	-89.27
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000504534	0	35	-2.0	-109.62	321.63	1.82	-107.80
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000504535	0	37	-2.0	-100.58	334.07	4.88	-95.70
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000504536	0	34	-2.0	-99.53	332.60	4.63	-94.90
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000504537	0	37	-2.0	-104.75	321.97	4.72	-100.03
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000504538	0	37	-2.0	-107.89	336.74	4.75	-103.14
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000504539	0	37	-2.0	-97.04	327.33	4.88	-92.16
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000504540	0	40	-2.0	-113.35	348.70	5.26	-108.09
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000504541	0	36	-2.0	-107.30	338.46	5.20	-102.10
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000504542	0	34	-2.0	-98.09	323.67	4.23	-93.86
CC(C)N1C=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=N1	REAL300000504543	0	31	-2.0	-96.03	324.48	3.79	-92.24
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000504544	0	40	-2.0	-109.22	345.30	5.51	-103.71
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000504545	0	37	-2.0	-108.89	337.23	4.79	-104.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=C1Cl	REAL300000504546	0	37	-2.0	-106.97	343.68	5.24	-101.73
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=C1	REAL300000504547	0	37	-2.0	-113.16	336.91	4.80	-108.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000504548	0	40	-2.0	-110.91	345.87	5.28	-105.63
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1CC(=O)[O-]	REAL300000504549	0	41	-2.0	-111.08	362.37	4.23	-106.85
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000504550	0	37	-2.0	-98.22	338.18	5.28	-92.94
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000504551	0	37	-2.0	-93.26	342.02	4.91	-88.35
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000504552	0	37	-2.0	-106.63	343.13	5.05	-101.58
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000504553	0	34	-2.0	-101.84	333.19	4.71	-97.13
CCN1C=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000504554	0	38	-2.0	-108.88	339.92	4.33	-104.55
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000504555	0	46	-2.0	-108.74	377.05	6.97	-101.77
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000504556	0	34	-2.0	-96.88	337.49	4.66	-92.22
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=N1	REAL300000504557	0	38	-2.0	-95.69	356.61	4.40	-91.29
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000504558	0	37	-2.0	-103.49	345.64	5.16	-98.33
CC(C)N1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300000504559	0	43	-2.0	-106.62	361.36	6.23	-100.39
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000504560	0	38	-2.0	-110.74	352.23	4.75	-105.99
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000504561	0	37	-2.0	-96.78	327.91	4.65	-92.13
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000504562	0	39	-2.0	-101.18	355.17	6.30	-94.88
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000504563	0	37	-2.0	-107.97	331.86	4.91	-103.06
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000504564	0	36	-2.0	-115.38	335.66	5.96	-109.42
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000504565	0	34	-2.0	-112.34	315.58	4.13	-108.21
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000504566	0	37	-2.0	-101.62	336.84	4.77	-96.85
CC(C)N1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000504567	0	40	-2.0	-117.07	352.95	6.24	-110.83
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000504568	0	33	-2.0	-106.53	308.12	2.23	-104.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1	REAL300000504569	0	38	-2.0	-100.97	340.12	3.90	-97.07
CC(C)N1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000504570	0	31	-2.0	-97.12	312.05	3.08	-94.04
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000504571	0	38	-2.0	-104.31	355.69	4.66	-99.65
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=N1	REAL300000504572	0	37	-2.0	-99.94	355.27	1.14	-98.80
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000504573	0	41	-2.0	-103.50	358.03	5.98	-97.52
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000504574	0	41	-2.0	-106.13	357.34	5.98	-100.15
CCC1=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000504575	0	37	-2.0	-103.42	334.03	4.10	-99.32
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000504576	0	44	-2.0	-84.26	391.00	1.75	-82.51
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000504577	1	37	-2.0	-99.86	339.06	3.20	-96.66
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000504578	0	45	-2.0	-101.22	394.16	4.26	-96.96
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000504579	1	37	-2.0	-90.18	334.51	3.17	-87.01
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000504580	1	37	-2.0	-102.19	334.52	3.16	-99.03
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000504581	0	41	-2.0	-107.76	362.68	2.96	-104.80
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000504582	1	41	-2.0	-90.05	365.99	4.47	-85.58
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000504583	1	40	-2.0	-103.15	350.54	3.69	-99.46
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000504584	0	37	-2.0	-98.29	347.61	3.73	-94.56
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000504585	1	37	-2.0	-98.12	347.03	3.55	-94.57
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000504586	1	43	-2.0	-105.36	366.92	4.47	-100.89
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000504587	0	37	-2.0	-99.58	340.02	3.22	-96.36
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000504588	1	43	-2.0	-89.16	378.10	4.75	-84.41
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000504589	0	34	-2.0	-96.62	327.72	2.18	-94.44
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000504590	1	40	-2.0	-103.62	349.97	3.94	-99.68
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000504591	1	41	-2.0	-88.67	365.61	3.45	-85.22
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000504592	0	38	-2.0	-100.50	341.18	2.52	-97.98
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000504593	1	41	-2.0	-104.11	358.74	1.97	-102.14
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000504594	0	37	-2.0	-92.82	343.64	2.85	-89.97
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000504595	1	43	-2.0	-104.61	365.97	4.48	-100.13
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000504596	0	34	-2.0	-97.99	326.18	2.19	-95.80
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000504597	1	45	-2.0	-102.56	392.85	2.97	-99.59
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000504598	1	41	-2.0	-107.95	361.82	3.23	-104.72
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000504599	1	47	-2.0	-107.13	389.76	5.79	-101.34
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000504600	1	46	-2.0	-105.64	388.43	5.17	-100.47
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC)N=C1CC	REAL300000504601	1	43	-2.0	-102.15	361.20	4.75	-97.40
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000504602	0	44	-2.0	-107.70	384.97	3.73	-103.97
CCC1=NC(OC)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000504603	0	40	-2.0	-108.49	362.43	3.75	-104.74
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000504603	1	39	-3.0	-176.05	362.93	3.72	-172.33
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000504604	1	44	-2.0	-107.45	378.77	5.06	-102.39
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000504605	0	37	-2.0	-96.63	337.53	2.32	-94.31
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000504606	1	43	-2.0	-106.87	376.70	2.94	-103.93
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000504607	0	41	-2.0	-102.43	363.44	2.26	-100.17
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000504608	1	45	-2.0	-89.05	387.45	3.77	-85.28
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000504609	0	37	-2.0	-95.24	352.13	3.75	-91.49
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000504610	1	44	-2.0	-89.04	385.68	4.14	-84.90
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000504611	0	40	-2.0	-94.47	354.83	3.99	-90.48
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000504612	1	41	-2.0	-88.37	371.82	3.51	-84.86
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)N=C2CC)C=C1C(=O)[O-]	REAL300000504613	1	44	-2.0	-108.53	383.66	4.14	-104.39
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000504614	0	37	-2.0	-100.10	343.15	3.06	-97.04
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000504615	0	37	-2.0	-87.89	347.58	3.73	-84.16
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000504616	1	37	-2.0	-89.82	339.06	3.20	-86.62
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000504617	0	34	-2.0	-91.71	326.79	2.29	-89.42
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000504618	0	37	-2.0	-93.24	340.93	3.23	-90.01
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000504619	0	40	-2.0	-100.87	360.29	3.86	-97.01
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000504620	0	37	-2.0	-89.44	339.99	3.24	-86.20
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000504621	1	37	-2.0	-87.84	347.03	3.56	-84.28
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000504622	1	40	-2.0	-96.14	363.55	4.39	-91.75
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000504623	0	45	-2.0	-87.04	398.27	4.56	-82.48
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000504624	0	37	-2.0	-91.71	345.34	3.25	-88.46
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000504625	0	39	-2.0	-87.63	362.71	3.83	-83.80
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000504626	0	38	-2.0	-102.73	344.25	0.86	-101.87
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000504627	1	40	-2.0	-93.67	356.70	3.95	-89.72
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000504628	1	37	-2.0	-93.07	355.23	3.69	-89.38
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000504629	1	40	-2.0	-97.87	344.56	3.80	-94.07
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000504630	1	40	-2.0	-101.16	359.37	3.82	-97.34
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000504631	1	40	-2.0	-90.48	349.94	3.93	-86.55
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000504632	1	43	-2.0	-104.97	367.40	4.23	-100.74
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000504633	0	39	-2.0	-101.00	361.08	4.26	-96.74
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000504634	0	37	-2.0	-91.33	346.26	3.30	-88.03
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000504635	1	43	-2.0	-102.17	369.02	4.54	-97.63
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000504636	0	40	-2.0	-100.54	356.01	3.75	-96.79
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000504637	0	40	-2.0	-99.92	366.29	4.30	-95.62
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000504638	0	40	-2.0	-106.32	359.56	3.85	-102.47
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)N=C2CC)C=C1C(=O)[O-]	REAL300000504639	1	43	-2.0	-103.88	368.85	4.35	-99.53
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000504640	1	44	-2.0	-104.17	384.99	3.29	-100.88
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000504641	0	40	-2.0	-91.50	360.79	4.35	-87.15
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000504642	1	40	-2.0	-99.85	365.76	4.12	-95.73
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000504643	0	41	-2.0	-101.77	362.55	3.38	-98.39
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000504644	1	49	-2.0	-101.45	398.93	5.99	-95.46
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000504645	1	40	-2.0	-96.71	368.30	4.23	-92.48
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000504646	0	46	-2.0	-99.91	381.75	5.20	-94.71
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000504647	1	40	-2.0	-90.25	350.53	3.71	-86.54
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000504648	0	42	-2.0	-94.05	376.07	5.26	-88.79
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000504649	1	40	-2.0	-101.45	354.06	3.99	-97.46
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000504650	0	39	-2.0	-108.25	356.45	4.94	-103.31
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000504651	0	37	-2.0	-105.55	338.16	3.18	-102.37
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000504652	0	40	-2.0	-94.94	359.48	3.83	-91.11
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000504653	0	43	-2.0	-110.04	375.56	5.29	-104.75
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000504654	0	36	-2.0	-99.67	331.52	1.22	-98.45
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000504655	0	41	-2.0	-94.15	362.73	2.97	-91.18
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000504656	0	34	-2.0	-90.52	334.63	2.14	-88.38
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000504657	1	44	-2.0	-96.75	380.65	5.05	-91.70
CCC1=NC(OC)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000504658	1	44	-2.0	-99.07	379.96	5.05	-94.02
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)N=C2CC)C=C(C(=O)[O-])O1	REAL300000504659	0	40	-2.0	-96.46	353.91	3.06	-93.40
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000504660	1	36	-2.0	-111.18	334.69	4.89	-106.29
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2C1=O	REAL300000504661	1	36	-2.0	-101.46	330.13	4.87	-96.59
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2C1=O	REAL300000504662	1	36	-2.0	-113.63	330.16	4.86	-108.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CN(C)C(=O)C2=C1	REAL300000504663	0	40	-2.0	-117.71	358.30	4.66	-113.05
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2C1=O	REAL300000504664	1	40	-2.0	-100.54	361.61	6.16	-94.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504665	1	39	-2.0	-114.52	345.73	5.40	-109.12
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2C1=O	REAL300000504666	0	36	-2.0	-108.08	343.23	5.44	-102.64
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000504667	1	36	-2.0	-109.46	342.67	5.26	-104.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)=C1C	REAL300000504668	1	42	-2.0	-114.88	362.38	6.21	-108.67
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2C1=O	REAL300000504669	0	36	-2.0	-109.83	335.64	4.93	-104.90
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2C1=O	REAL300000504670	1	42	-2.0	-99.50	373.72	6.45	-93.05
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2C1=O	REAL300000504671	0	33	-2.0	-108.01	323.35	3.88	-104.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CN(C)C(=O)C2=C1	REAL300000504672	1	39	-2.0	-113.11	345.60	5.66	-107.45
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2C1=O	REAL300000504673	1	40	-2.0	-99.29	361.22	5.15	-94.14
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504674	0	37	-2.0	-111.87	336.36	4.21	-107.66
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)=C1	REAL300000504676	0	36	-2.0	-104.01	338.82	4.55	-99.46
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504677	1	42	-2.0	-114.36	360.78	6.20	-108.16
CN1CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2C1=O	REAL300000504678	0	33	-2.0	-109.43	321.81	3.91	-105.52
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504679	1	40	-2.0	-119.24	357.00	4.93	-114.31
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CN(C)C(=O)C2=C1	REAL300000504680	1	45	-2.0	-115.04	384.06	6.87	-108.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CN(C)C(=O)C2=C1	REAL300000504681	1	42	-2.0	-111.08	360.30	6.58	-104.50
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CN(C)C(=O)C2=C1	REAL300000504682	0	43	-2.0	-119.60	380.60	5.43	-114.17
CN1CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C2C1=O	REAL300000504683	0	39	-2.0	-115.65	360.56	5.43	-110.22
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C2C1=O	REAL300000504683	1	38	-3.0	-190.15	358.57	5.43	-184.72
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2C1=O	REAL300000504684	1	43	-2.0	-117.18	374.41	6.76	-110.42
CC1=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000504685	0	36	-2.0	-106.78	333.17	4.01	-102.77
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)=C1	REAL300000504686	0	40	-2.0	-115.10	359.15	3.95	-111.15
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=C2C1=O	REAL300000504687	0	36	-2.0	-104.87	347.76	5.45	-99.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)=CC=C1OCC(=O)[O-]	REAL300000504688	1	43	-2.0	-99.51	380.86	5.85	-93.66
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CN(C)C(=O)C2=C1	REAL300000504689	1	39	-2.0	-103.80	350.42	5.68	-98.12
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=C2C1=O	REAL300000504690	1	40	-2.0	-98.89	367.45	5.21	-93.68
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504691	1	43	-2.0	-120.14	379.30	5.84	-114.30
CC1=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000504692	0	36	-2.0	-109.82	338.76	4.75	-105.07
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2C1=O	REAL300000504693	0	36	-2.0	-99.00	343.22	5.43	-93.57
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2C1=O	REAL300000504694	1	36	-2.0	-100.75	334.24	4.90	-95.85
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2C1=O	REAL300000504695	0	33	-2.0	-103.01	322.43	3.99	-99.02
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2C1=O	REAL300000504696	1	36	-2.0	-104.54	336.57	4.93	-99.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)=C1F	REAL300000504697	0	39	-2.0	-110.99	355.48	5.57	-105.42
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2C1=O	REAL300000504698	0	36	-2.0	-101.01	335.63	4.94	-96.07
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2C1=O	REAL300000504699	1	36	-2.0	-98.73	342.21	5.27	-93.46
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CN(C)C(=O)C2=C1	REAL300000504700	1	39	-2.0	-105.36	359.15	6.07	-99.29
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000504701	1	36	-2.0	-102.54	340.54	4.96	-97.58
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C2C1=O	REAL300000504702	0	38	-2.0	-98.50	357.91	5.53	-92.97
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2C1=O	REAL300000504703	0	37	-2.0	-111.46	339.88	2.58	-108.88
CN1CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2C1=O	REAL300000504703	1	37	-2.0	-109.90	328.91	3.46	-106.44
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2C1=O	REAL300000504704	1	39	-2.0	-103.74	352.32	5.65	-98.09
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000504705	1	36	-2.0	-103.99	350.43	5.39	-98.60
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CN(C)C(=O)C2=C1	REAL300000504706	1	39	-2.0	-110.97	340.23	5.50	-105.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000504707	1	39	-2.0	-112.29	354.56	5.51	-106.78
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CN(C)C(=O)C2=C1	REAL300000504708	1	39	-2.0	-101.08	345.12	5.64	-95.44
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000504709	1	42	-2.0	-117.73	367.21	6.06	-111.67
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=C2C1=O	REAL300000504710	0	38	-2.0	-112.03	356.27	5.96	-106.07
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2C1=O	REAL300000504711	0	36	-2.0	-101.90	341.92	4.99	-96.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000504712	1	42	-2.0	-115.19	364.64	6.25	-108.94
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504713	0	39	-2.0	-111.88	355.02	5.56	-106.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)=C1Cl	REAL300000504714	0	39	-2.0	-109.57	361.45	6.00	-103.57
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)=C1	REAL300000504715	0	39	-2.0	-119.89	355.18	5.56	-114.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504716	1	42	-2.0	-115.16	363.68	6.05	-109.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C=C1CC(=O)[O-]	REAL300000504717	1	43	-2.0	-114.05	380.63	5.00	-109.05
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2CN(C)C(=O)C2=C1	REAL300000504718	1	39	-2.0	-103.68	355.97	6.04	-97.64
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000504719	1	39	-2.0	-110.99	360.95	5.82	-105.17
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504720	0	40	-2.0	-113.17	357.74	5.07	-108.10
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504721	1	39	-2.0	-108.29	363.90	5.93	-102.36
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000504722	1	39	-2.0	-101.29	345.72	5.41	-95.88
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CN(C)C(=O)C2=C1	REAL300000504723	1	39	-2.0	-110.54	350.12	5.69	-104.85
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=C2C1=O	REAL300000504724	0	38	-2.0	-122.30	353.91	6.72	-115.58
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2C1=O	REAL300000504725	0	36	-2.0	-119.10	333.78	4.89	-114.21
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504726	1	39	-2.0	-106.47	355.10	5.54	-100.93
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C2C1=O	REAL300000504727	1	42	-2.0	-121.66	370.75	6.98	-114.68
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2C1=O	REAL300000504728	0	35	-2.0	-111.10	325.93	2.99	-108.11
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CN(C)C(=O)C2=C1	REAL300000504729	0	40	-2.0	-105.26	357.91	4.66	-100.60
CN1CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2C1=O	REAL300000504730	0	33	-2.0	-100.82	329.86	3.84	-96.98
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2C1=O	REAL300000504731	1	43	-2.0	-107.13	376.29	6.75	-100.38
CN1CC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2C1=O	REAL300000504732	1	43	-2.0	-112.60	375.16	6.75	-105.85
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CN(C)C(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000504733	0	39	-2.0	-106.37	352.29	4.86	-101.51
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)C(C)=C1	REAL300000504737	0	39	-2.0	-116.76	353.15	5.12	-111.64
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1OC(F)F	REAL300000504740	0	35	-2.0	-106.75	338.08	5.90	-100.85
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1OC(F)F	REAL300000504743	0	35	-2.0	-108.33	330.49	5.39	-102.94
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1OC(F)F	REAL300000504745	0	32	-2.0	-104.82	318.19	4.34	-100.48
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300000504748	1	36	-2.0	-109.09	331.66	4.67	-104.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(C)=C2)=C1	REAL300000504750	0	35	-2.0	-100.95	334.13	5.00	-95.95
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300000504752	1	32	-2.0	-106.33	316.66	4.36	-101.97
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000504757	0	35	-2.0	-104.84	328.02	4.46	-100.38
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(C)=C2)=C1	REAL300000504758	0	39	-2.0	-111.63	353.99	4.41	-107.22
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1OC(F)F	REAL300000504759	1	38	-2.0	-102.48	345.72	6.14	-96.34
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000504760	1	35	-2.0	-108.47	333.61	5.21	-103.26
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1OC(F)F	REAL300000504761	1	35	-2.0	-95.68	338.06	5.88	-89.80
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1OC(F)F	REAL300000504762	1	35	-2.0	-97.47	329.54	5.36	-92.11
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1OC(F)F	REAL300000504763	0	32	-2.0	-99.76	317.28	4.45	-95.31
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300000504764	1	35	-2.0	-101.44	331.41	5.39	-96.05
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1OC(F)F	REAL300000504765	0	38	-2.0	-109.74	350.77	6.03	-103.71
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1OC(F)F	REAL300000504766	0	35	-2.0	-97.44	330.47	5.39	-92.05
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300000504768	1	35	-2.0	-99.53	335.84	5.42	-94.11
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1OC(F)F	REAL300000504769	0	36	-2.0	-111.25	334.73	3.04	-108.21
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1OC(F)F	REAL300000504769	1	36	-2.0	-108.91	333.91	3.85	-105.06
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1OC(F)F	REAL300000504775	0	35	-2.0	-99.73	336.76	5.45	-94.28
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1OC(F)F	REAL300000504777	0	38	-2.0	-109.46	346.49	5.92	-103.54
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(C)=C2)=C1	REAL300000504778	0	38	-2.0	-115.10	350.05	6.01	-109.09
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000504780	1	39	-2.0	-110.40	353.04	5.53	-104.87
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1OC(F)F	REAL300000504783	0	35	-2.0	-114.36	328.67	5.36	-109.00
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300000504784	1	38	-2.0	-103.21	349.95	6.00	-97.21
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1OC(F)F	REAL300000504785	0	34	-2.0	-108.42	321.24	3.45	-104.97
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)C(C)=C1	REAL300000504786	0	39	-2.0	-102.53	353.21	5.12	-97.41
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300000504787	0	32	-2.0	-98.43	325.15	4.30	-94.13
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1OC(F)F	REAL300000504789	1	42	-2.0	-107.96	370.45	7.20	-100.76
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000504790	0	38	-2.0	-104.80	347.14	5.31	-99.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)C=C1C	REAL300000504794	0	39	-2.0	-115.95	352.99	5.12	-110.83
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000504797	0	35	-2.0	-105.92	337.93	5.90	-100.02
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000504800	0	35	-2.0	-107.57	330.32	5.40	-102.17
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000504802	0	32	-2.0	-104.01	318.04	4.35	-99.66
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000504805	1	36	-2.0	-108.07	331.50	4.69	-103.38
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2C)=C1	REAL300000504807	0	35	-2.0	-100.10	333.96	5.02	-95.08
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000504809	1	32	-2.0	-105.39	316.50	4.37	-101.02
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2C)C=C(C(=O)[O-])O1	REAL300000504814	0	35	-2.0	-104.17	327.86	4.47	-99.70
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2C)=C1	REAL300000504815	0	39	-2.0	-109.94	353.77	4.42	-105.52
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000504816	1	38	-2.0	-101.85	345.56	6.15	-95.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2C)C=C(C(=O)[O-])S1	REAL300000504817	1	35	-2.0	-107.59	334.55	5.22	-102.37
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000504818	1	35	-2.0	-94.71	337.91	5.90	-88.81
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000504820	0	32	-2.0	-98.88	317.12	4.47	-94.41
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000504821	1	35	-2.0	-100.59	331.27	5.39	-95.20
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000504822	0	38	-2.0	-109.04	350.61	6.04	-103.00
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000504823	0	35	-2.0	-96.50	330.31	5.41	-91.09
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000504825	1	35	-2.0	-98.68	335.68	5.43	-93.25
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000504826	0	36	-2.0	-110.64	334.57	3.04	-107.60
CC1=CC(OC(F)F)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000504826	1	36	-2.0	-106.83	328.70	3.92	-102.91
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000504832	0	35	-2.0	-98.96	336.61	5.45	-93.51
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000504834	0	38	-2.0	-109.87	350.17	6.03	-103.84
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2C)=C1	REAL300000504835	0	38	-2.0	-113.81	349.90	6.03	-107.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2C)C=C1C(=O)[O-]	REAL300000504837	1	39	-2.0	-109.39	352.87	5.56	-103.83
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000504840	0	35	-2.0	-113.00	328.49	5.36	-107.64
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000504841	1	38	-2.0	-102.40	349.81	6.00	-96.40
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000504842	0	34	-2.0	-107.46	321.07	3.45	-104.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)F)C=C1C	REAL300000504843	0	39	-2.0	-101.51	353.05	5.14	-96.37
CC1=CC(OC(F)F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000504844	0	32	-2.0	-97.70	324.97	4.31	-93.39
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)F)C=C2C)C=C(C(=O)[O-])O1	REAL300000504847	0	38	-2.0	-104.14	346.98	5.32	-98.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1	REAL300000504848	0	43	-2.0	-100.63	384.30	4.78	-95.85
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300000504849	0	43	-2.0	-112.19	384.22	4.79	-107.40
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300000504850	0	40	-2.0	-107.00	377.10	3.84	-103.16
CN1C=C(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000504851	0	44	-2.0	-111.12	390.84	4.15	-106.97
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C2=CC=CC=C2)=CS1	REAL300000504852	0	40	-2.0	-108.19	375.85	3.82	-104.37
CC1=C(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000504853	0	43	-2.0	-105.55	387.35	3.91	-101.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C2=CC=CC=C2)S1	REAL300000504854	0	40	-2.0	-102.01	376.17	3.94	-98.07
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300000504855	0	42	-2.0	-110.13	380.53	2.90	-107.23
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000504856	0	45	-2.0	-107.19	381.62	3.43	-103.76
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000504857	0	45	-2.0	-97.62	377.06	3.41	-94.21
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000504858	0	45	-2.0	-109.46	377.10	3.40	-106.06
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000504859	0	49	-2.0	-96.74	408.54	4.70	-92.04
CC1=CC=C(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)C=C1C(=O)[O-]	REAL300000504860	0	48	-2.0	-110.53	393.12	3.94	-106.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)=C1C	REAL300000504861	0	51	-2.0	-110.50	409.76	4.68	-105.82
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000504862	0	45	-2.0	-105.16	382.56	3.47	-101.69
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000504863	0	51	-2.0	-95.53	420.66	5.00	-90.53
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000504864	0	42	-2.0	-103.91	370.28	2.43	-101.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)[C@@H]1CCO[C@H]1C(C)(C)C	REAL300000504865	0	48	-2.0	-108.40	392.52	4.18	-104.22
CN1C=C(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)C=C1C(=O)[O-]	REAL300000504866	0	46	-2.0	-109.40	386.06	2.89	-106.51
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)=C1	REAL300000504867	0	45	-2.0	-100.20	386.18	3.09	-97.11
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)C=C1C(=O)[O-]	REAL300000504868	0	51	-2.0	-109.56	408.53	4.71	-104.85
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000504869	0	42	-2.0	-106.50	371.09	2.57	-103.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)[C@@H]1CCO[C@H]1C(C)(C)C	REAL300000504870	0	51	-2.0	-106.15	407.20	4.92	-101.23
CC1=C(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)C=C(C(=O)[O-])O1	REAL300000504871	0	45	-2.0	-102.49	381.91	2.51	-99.98
CC1=C(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)C=C(C(=O)[O-])S1	REAL300000504872	0	45	-2.0	-105.28	386.76	3.27	-102.01
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000504873	0	45	-2.0	-97.29	381.61	3.44	-93.85
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000504874	0	42	-2.0	-99.11	369.30	2.53	-96.58
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000504875	0	45	-2.0	-101.84	385.84	3.60	-98.24
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000504876	0	45	-2.0	-97.02	382.48	3.48	-93.54
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000504877	0	46	-2.0	-106.44	386.80	1.11	-105.33
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000504877	1	45	-3.0	-205.39	383.23	2.01	-203.38
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000504878	0	48	-2.0	-99.59	399.25	4.19	-95.40
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)[C@@H]1CCO[C@H]1C(C)(C)C	REAL300000504879	0	48	-2.0	-108.49	390.90	4.13	-104.36
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)[C@@H]1CCO[C@H]1C(C)(C)C	REAL300000504880	0	48	-2.0	-97.47	392.50	4.17	-93.30
CC1=CC(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)=CC(C(=O)[O-])=C1C	REAL300000504881	0	51	-2.0	-115.21	416.21	4.71	-110.50
CC1=CC=C(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)C(C)=C1C(=O)[O-]	REAL300000504882	0	51	-2.0	-111.63	411.52	4.79	-106.84
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)C=C1C(=O)[O-]	REAL300000504883	0	51	-2.0	-111.18	411.40	4.59	-106.59
CCN1C=C(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)C=C1C(=O)[O-]	REAL300000504884	0	49	-2.0	-110.75	407.56	3.76	-106.99
CC1=CC(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000504885	0	48	-2.0	-99.16	396.90	4.04	-95.12
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000504886	0	45	-2.0	-115.06	380.66	3.43	-111.63
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000504887	0	44	-2.0	-104.69	374.07	1.46	-103.23
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000504888	0	42	-2.0	-97.19	377.19	2.38	-94.81
CCC1=C(S(=O)(=O)[N-]NC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)C=C(C(=O)[O-])O1	REAL300000504889	0	48	-2.0	-102.14	399.21	3.33	-98.81
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(Cl)=C1	REAL300000504901	1	34	-2.0	-100.63	335.02	6.52	-94.11
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2Cl)=C1	REAL300000504906	1	37	-2.0	-96.75	350.94	7.18	-89.57
CC(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(Cl)=C1	REAL300000504913	0	40	-2.0	-106.55	369.67	7.98	-98.57
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(Cl)=C1	REAL300000504923	1	34	-2.0	-95.67	334.07	6.61	-89.06
CC(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(Cl)=C1	REAL300000504930	0	38	-2.0	-104.65	346.08	6.07	-98.58
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(Cl)=C1	REAL300000504937	1	37	-2.0	-95.06	353.54	7.62	-87.44
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(Cl)=C1	REAL300000504946	1	39	-2.0	-113.53	365.54	9.34	-104.19
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(Cl)=C1	REAL300000504949	1	36	-2.0	-103.96	338.02	5.61	-98.35
CC(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(Cl)=C1	REAL300000504951	1	34	-2.0	-94.19	341.90	6.48	-87.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=CC=C1F	REAL300000504955	1	39	-2.0	-112.11	346.40	4.10	-108.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1	REAL300000504956	1	39	-2.0	-101.38	341.85	4.08	-97.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=C1	REAL300000504957	1	39	-2.0	-112.96	341.87	4.06	-108.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCNC(=O)C2=C1	REAL300000504958	0	43	-2.0	-117.75	370.01	3.86	-113.89
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1	REAL300000504959	1	43	-2.0	-100.49	373.32	5.37	-95.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504960	1	42	-2.0	-115.97	357.88	4.61	-111.36
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=C1	REAL300000504961	0	39	-2.0	-108.06	354.94	4.64	-103.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=CC=C1Cl	REAL300000504962	1	39	-2.0	-110.48	354.38	4.47	-106.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=C1C	REAL300000504963	1	45	-2.0	-114.97	374.55	5.42	-109.55
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=C1	REAL300000504964	0	39	-2.0	-109.95	347.34	4.13	-105.82
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1	REAL300000504965	1	45	-2.0	-100.21	385.44	5.66	-94.55
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=C1	REAL300000504966	0	36	-2.0	-107.54	335.05	3.09	-104.45
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCNC(=O)C2=C1	REAL300000504967	1	42	-2.0	-112.81	357.30	4.85	-107.96
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1	REAL300000504968	1	43	-2.0	-99.31	372.94	4.36	-94.95
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504969	0	40	-2.0	-111.72	348.51	3.42	-108.30
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=C1	REAL300000504971	0	39	-2.0	-104.62	350.98	3.75	-100.87
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504972	1	45	-2.0	-114.01	373.32	5.38	-108.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=CS1	REAL300000504973	0	36	-2.0	-108.91	333.52	3.10	-105.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504974	1	43	-2.0	-118.81	369.15	4.14	-114.67
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCNC(=O)C2=C1	REAL300000504975	1	45	-2.0	-110.82	372.02	5.78	-105.04
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000504976	0	39	-2.0	-106.44	344.88	3.20	-103.24
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=C1	REAL300000504977	0	43	-2.0	-116.05	370.85	3.15	-112.90
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCNC(=O)C2=C1	REAL300000504978	1	42	-2.0	-103.69	362.57	4.88	-98.81
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000504979	0	39	-2.0	-109.47	350.47	3.95	-105.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C(Cl)=C1	REAL300000504980	0	39	-2.0	-99.04	354.92	4.62	-94.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1F	REAL300000504981	1	39	-2.0	-100.70	346.39	4.11	-96.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)S1	REAL300000504982	0	36	-2.0	-103.34	334.14	3.19	-100.15
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=C1	REAL300000504983	1	39	-2.0	-103.95	348.27	4.13	-99.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=C1F	REAL300000504984	0	42	-2.0	-111.38	367.63	4.77	-106.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C(F)=C1	REAL300000504985	0	39	-2.0	-101.16	347.33	4.13	-97.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1Cl	REAL300000504986	1	39	-2.0	-98.82	354.36	4.48	-94.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=CC(F)=C1F	REAL300000504987	1	39	-2.0	-103.42	352.69	4.16	-99.26
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=C1	REAL300000504988	0	40	-2.0	-111.48	351.58	1.77	-109.71
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CCCNC(=O)C3=C2)=C1	REAL300000504988	1	40	-2.0	-112.35	340.59	2.68	-109.67
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1	REAL300000504989	1	42	-2.0	-106.54	364.04	4.86	-101.68
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CCCNC(=O)C2=C1	REAL300000504990	1	42	-2.0	-111.61	351.93	4.70	-106.91
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000504991	1	42	-2.0	-111.80	366.70	4.72	-107.08
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCCNC(=O)C2=C1	REAL300000504992	1	42	-2.0	-101.12	357.28	4.84	-96.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000504993	1	45	-2.0	-119.37	378.67	5.23	-114.14
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=C1	REAL300000504994	0	39	-2.0	-101.90	353.62	4.19	-97.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000504995	1	45	-2.0	-115.88	376.35	5.45	-110.43
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504996	0	42	-2.0	-112.24	367.18	4.76	-107.48
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=C1	REAL300000504997	0	42	-2.0	-120.89	366.90	4.76	-116.13
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504998	1	45	-2.0	-114.89	375.80	5.25	-109.64
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000504999	0	43	-2.0	-114.34	369.88	4.27	-110.07
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000505000	1	42	-2.0	-101.56	357.87	4.61	-96.95
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCNC(=O)C2=C1	REAL300000505001	1	42	-2.0	-110.39	361.40	4.90	-105.49
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=CC=C1	REAL300000505002	0	39	-2.0	-120.03	345.53	4.10	-115.93
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000505003	1	42	-2.0	-107.24	366.81	4.74	-102.50
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=C1	REAL300000505004	0	38	-2.0	-109.65	338.85	2.12	-107.53
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCCNC(=O)C2=C1	REAL300000505005	0	43	-2.0	-105.52	370.06	3.86	-101.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)=C(Cl)O1	REAL300000505006	0	36	-2.0	-100.81	342.02	3.04	-97.77
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCCNC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000505007	0	42	-2.0	-106.05	364.00	4.05	-102.00
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000505008	0	41	-2.0	-112.27	357.66	6.27	-106.00
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300000505009	0	41	-2.0	-102.00	353.09	6.25	-95.75
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C	REAL300000505010	0	41	-2.0	-115.27	353.12	6.23	-109.04
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1C	REAL300000505011	0	45	-2.0	-120.74	381.23	6.04	-114.70
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C	REAL300000505012	0	45	-2.0	-101.02	384.56	7.54	-93.48
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000505013	0	44	-2.0	-116.55	370.46	6.83	-109.72
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C	REAL300000505014	0	41	-2.0	-110.25	366.16	6.83	-103.42
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000505015	0	41	-2.0	-110.84	365.63	6.63	-104.21
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C	REAL300000505016	0	47	-2.0	-117.52	386.19	7.57	-109.95
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000505017	0	41	-2.0	-112.50	358.56	6.31	-106.19
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C	REAL300000505018	0	47	-2.0	-100.39	398.02	7.88	-92.51
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000505019	0	38	-2.0	-109.24	347.63	5.31	-103.93
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C	REAL300000505020	0	44	-2.0	-115.53	369.88	7.08	-108.45
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C	REAL300000505021	0	45	-2.0	-99.71	384.18	6.53	-93.18
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C	REAL300000505022	0	42	-2.0	-113.49	361.09	5.64	-107.85
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1C	REAL300000505023	1	45	-2.0	-116.12	378.23	5.14	-110.98
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C	REAL300000505024	0	41	-2.0	-105.22	363.55	5.98	-99.24
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1C	REAL300000505025	0	47	-2.0	-116.92	385.90	7.62	-109.30
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C	REAL300000505026	0	38	-2.0	-110.60	344.77	5.28	-105.32
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1C	REAL300000505027	0	45	-2.0	-121.02	381.73	6.37	-114.65
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1C	REAL300000505028	0	50	-2.0	-117.95	408.35	8.31	-109.64
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1C	REAL300000505029	0	47	-2.0	-113.22	384.57	8.03	-105.19
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1C	REAL300000505030	0	48	-2.0	-121.49	403.52	6.81	-114.68
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000505031	0	43	-3.0	-192.42	382.84	6.86	-185.56
CCC1=CC(OC)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000505031	1	44	-2.0	-110.15	381.52	6.76	-103.39
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C	REAL300000505032	0	48	-2.0	-120.33	397.33	8.14	-112.19
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C	REAL300000505033	0	41	-2.0	-108.33	356.10	5.38	-102.95
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C	REAL300000505034	0	45	-2.0	-116.09	383.43	5.39	-110.70
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1C	REAL300000505035	0	48	-2.0	-100.33	405.60	7.29	-93.04
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C	REAL300000505036	0	44	-2.0	-105.81	375.16	7.12	-98.69
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C	REAL300000505037	0	45	-2.0	-98.95	391.75	6.65	-92.30
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=C(CC)C=C2OC)C=C1C(=O)[O-]	REAL300000505038	0	48	-2.0	-121.59	403.59	7.28	-114.31
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C	REAL300000505039	0	41	-2.0	-111.65	364.13	6.18	-105.47
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C	REAL300000505040	0	41	-2.0	-99.21	366.14	6.82	-92.39
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C	REAL300000505041	0	41	-2.0	-101.19	358.97	6.34	-94.85
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000505042	0	38	-2.0	-103.90	345.34	5.37	-98.53
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000505043	0	41	-2.0	-105.76	360.86	6.37	-99.39
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C	REAL300000505044	0	44	-2.0	-114.09	378.83	6.95	-107.14
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000505045	0	41	-2.0	-101.62	358.55	6.32	-95.30
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C	REAL300000505046	0	41	-2.0	-99.39	366.94	6.70	-92.69
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1C	REAL300000505047	0	44	-2.0	-107.59	383.89	7.50	-100.09
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000505048	0	41	-2.0	-103.48	365.27	6.39	-97.09
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C	REAL300000505049	0	43	-2.0	-99.58	382.64	6.97	-92.61
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C	REAL300000505050	0	42	-2.0	-114.27	362.80	3.96	-110.31
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C	REAL300000505051	0	44	-2.0	-105.62	375.28	7.03	-98.59
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C	REAL300000505052	0	44	-2.0	-111.18	363.12	6.87	-104.31
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1C	REAL300000505053	0	44	-2.0	-113.74	379.28	6.95	-106.79
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1C	REAL300000505054	0	44	-2.0	-101.77	368.50	7.01	-94.76
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000505055	0	47	-2.0	-118.61	387.91	7.38	-111.23
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300000505056	0	43	-2.0	-112.57	379.68	7.33	-105.24
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000505057	0	41	-2.0	-103.82	364.82	6.37	-97.45
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C	REAL300000505058	0	47	-2.0	-115.77	387.98	7.71	-108.06
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C	REAL300000505059	0	44	-2.0	-114.89	379.77	7.00	-107.89
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1C	REAL300000505060	0	44	-2.0	-112.28	384.87	7.38	-104.90
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C	REAL300000505061	0	44	-2.0	-120.56	379.49	6.99	-113.57
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=C1C	REAL300000505062	0	47	-2.0	-117.32	388.76	7.49	-109.83
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=C1C	REAL300000505063	0	48	-2.0	-116.46	404.93	6.42	-110.04
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1C	REAL300000505064	0	44	-2.0	-104.29	380.70	7.48	-96.81
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1C	REAL300000505065	0	44	-2.0	-112.74	385.68	7.26	-105.48
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1C	REAL300000505066	0	45	-2.0	-114.83	382.38	6.50	-108.33
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000505067	0	44	-2.0	-108.59	384.32	7.27	-101.32
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C	REAL300000505068	0	44	-2.0	-102.19	369.13	6.79	-95.40
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1C	REAL300000505069	0	44	-2.0	-112.82	373.98	7.13	-105.69
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C	REAL300000505070	0	43	-2.0	-122.44	376.84	8.10	-114.34
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000505071	0	41	-2.0	-119.63	358.07	6.32	-113.31
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C	REAL300000505072	0	44	-2.0	-106.75	375.61	6.87	-99.88
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C	REAL300000505073	0	47	-2.0	-123.79	395.48	8.42	-115.37
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000505074	0	40	-2.0	-112.21	351.42	4.36	-107.85
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1C	REAL300000505075	0	45	-2.0	-106.45	381.29	6.04	-100.41
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000505076	0	38	-2.0	-102.11	353.19	5.21	-96.90
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C	REAL300000505077	0	48	-2.0	-108.64	400.57	8.19	-100.45
CCC1=CC(OC)=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C	REAL300000505078	0	48	-2.0	-112.13	398.52	8.16	-103.97
CCC1=C(S(=O)(=O)[N-]C2=C(OC)C=C(CC)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000505079	0	44	-2.0	-107.97	376.57	6.29	-101.68
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300000505080	1	37	-2.0	-88.26	354.83	6.99	-81.27
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000505081	1	37	-2.0	-99.80	354.84	6.98	-92.82
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000505082	1	40	-2.0	-102.07	374.91	7.63	-94.44
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000505083	0	34	-2.0	-94.37	348.02	6.00	-88.37
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1Cl	REAL300000505084	1	40	-2.0	-100.85	370.27	7.78	-93.07
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000505085	0	38	-2.0	-98.38	361.49	6.33	-92.05
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000505086	0	34	-2.0	-95.79	346.49	6.02	-89.77
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000505087	0	37	-2.0	-94.35	357.84	6.13	-88.22
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000505088	0	34	-2.0	-89.66	347.11	6.11	-83.55
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Cl	REAL300000505089	0	38	-2.0	-99.68	364.55	4.69	-94.99
CCOC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Cl	REAL300000505089	1	38	-2.0	-99.87	353.57	5.58	-94.29
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000505090	1	40	-2.0	-91.35	377.01	7.77	-83.58
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000505091	1	40	-2.0	-96.28	364.91	7.62	-88.66
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1Cl	REAL300000505092	1	40	-2.0	-88.66	370.25	7.76	-80.90
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Cl	REAL300000505093	1	40	-2.0	-88.25	370.84	7.53	-80.72
CCOC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000505094	0	36	-2.0	-96.84	351.83	5.04	-91.80
CN(C)S(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000505096	1	42	-2.0	-115.73	385.01	3.74	-111.99
CN(C)S(=O)(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000505097	0	41	-2.0	-114.90	381.20	1.86	-113.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505098	1	35	-2.0	-96.75	333.04	4.70	-92.05
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(N)=C1[N+](=O)[O-]	REAL300000505099	1	35	-2.0	-87.36	328.48	4.68	-82.68
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505100	1	35	-2.0	-98.67	328.50	4.67	-94.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C([N+](=O)[O-])=C1N	REAL300000505101	0	39	-2.0	-103.42	356.64	4.47	-98.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(N)=C1[N+](=O)[O-]	REAL300000505102	1	39	-2.0	-87.21	359.95	5.96	-81.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000505103	1	38	-2.0	-99.67	344.52	5.20	-94.47
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(N)=C1[N+](=O)[O-]	REAL300000505104	0	35	-2.0	-94.39	341.57	5.24	-89.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505105	1	35	-2.0	-94.89	341.02	5.06	-89.83
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)=C1C	REAL300000505106	1	41	-2.0	-101.57	361.17	6.01	-95.56
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(N)=C1[N+](=O)[O-]	REAL300000505107	0	35	-2.0	-95.68	333.97	4.73	-90.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(N)=C1[N+](=O)[O-]	REAL300000505108	1	41	-2.0	-86.12	372.09	6.25	-79.87
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(N)=C1[N+](=O)[O-]	REAL300000505109	0	32	-2.0	-93.49	321.69	3.68	-89.81
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C([N+](=O)[O-])=C1N	REAL300000505110	1	38	-2.0	-99.57	343.93	5.45	-94.12
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(N)=C1[N+](=O)[O-]	REAL300000505111	1	39	-2.0	-85.77	359.57	4.94	-80.83
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505112	0	36	-2.0	-97.20	335.14	4.01	-93.19
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(N)=C1[N+](=O)[O-]	REAL300000505113	1	39	-2.0	-100.34	352.28	3.51	-96.83
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)=C1	REAL300000505114	0	35	-2.0	-89.79	337.61	4.35	-85.44
CC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505115	1	41	-2.0	-100.57	359.96	5.99	-94.58
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505116	0	32	-2.0	-94.89	320.15	3.70	-91.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000505117	1	39	-2.0	-104.62	355.80	4.74	-99.88
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(N)=C1[N+](=O)[O-]	REAL300000505118	1	44	-2.0	-101.26	382.40	6.68	-94.58
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C([N+](=O)[O-])=C1N	REAL300000505119	1	41	-2.0	-98.11	356.84	6.42	-91.69
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C([N+](=O)[O-])=C1N	REAL300000505120	0	42	-2.0	-102.89	378.93	5.23	-97.66
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505121	0	38	-2.0	-108.08	355.97	5.22	-102.86
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505121	1	37	-3.0	-172.56	356.90	5.23	-167.33
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(N)=C1[N+](=O)[O-]	REAL300000505122	1	42	-2.0	-103.19	372.74	6.56	-96.63
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)C=C(C(=O)[O-])O1	REAL300000505123	0	35	-2.0	-93.39	331.51	3.80	-89.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)=C1	REAL300000505124	0	39	-2.0	-99.84	357.48	3.76	-96.08
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(N)=C1[N+](=O)[O-]	REAL300000505125	1	42	-2.0	-86.18	379.66	5.66	-80.52
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(N)=C1[N+](=O)[O-]	REAL300000505126	0	38	-2.0	-90.76	349.21	5.49	-85.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(N)=C1[N+](=O)[O-]	REAL300000505127	1	39	-2.0	-85.73	365.80	5.02	-80.71
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000505128	1	42	-2.0	-105.15	377.65	5.65	-99.50
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)C=C(C(=O)[O-])S1	REAL300000505129	0	35	-2.0	-96.32	338.19	4.55	-91.77
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(N)=C1[N+](=O)[O-]	REAL300000505130	0	35	-2.0	-84.96	341.55	5.24	-79.72
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(N)=C1[N+](=O)[O-]	REAL300000505131	1	35	-2.0	-87.19	333.02	4.71	-82.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(N)=C1[N+](=O)[O-]	REAL300000505132	0	32	-2.0	-88.77	320.76	3.80	-84.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505133	0	35	-2.0	-90.14	334.91	4.75	-85.39
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505134	0	38	-2.0	-96.94	354.25	5.36	-91.58
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(N)=C1[N+](=O)[O-]	REAL300000505135	0	35	-2.0	-86.53	333.96	4.74	-81.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(N)=C1[N+](=O)[O-]	REAL300000505136	1	35	-2.0	-85.04	341.00	5.07	-79.97
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(N)=C1[N+](=O)[O-]	REAL300000505137	1	38	-2.0	-92.32	357.94	5.87	-86.45
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505138	1	35	-2.0	-88.82	339.33	4.76	-84.06
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505139	0	37	-2.0	-84.73	356.70	5.34	-79.39
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(N)=C1[N+](=O)[O-]	REAL300000505140	0	36	-2.0	-98.60	338.22	2.37	-96.23
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(N)=C1[N+](=O)[O-]	REAL300000505140	1	36	-2.0	-100.42	332.82	2.77	-97.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(N)=C1[N+](=O)[O-]	REAL300000505141	1	38	-2.0	-90.18	350.68	5.44	-84.74
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(N)=C1[N+](=O)[O-]	REAL300000505142	1	38	-2.0	-95.05	338.54	5.30	-89.75
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)C(N)=C1[N+](=O)[O-]	REAL300000505143	1	38	-2.0	-97.97	353.35	5.32	-92.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(N)=C1[N+](=O)[O-]	REAL300000505144	1	38	-2.0	-87.66	343.91	5.44	-82.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)=CC(C(=O)[O-])=C1C	REAL300000505145	1	41	-2.0	-101.25	361.97	5.75	-95.50
CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505146	0	37	-2.0	-98.29	355.08	5.76	-92.53
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(N)=C1[N+](=O)[O-]	REAL300000505147	0	35	-2.0	-87.86	340.23	4.80	-83.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)C(C)=C1C(=O)[O-]	REAL300000505148	1	41	-2.0	-99.46	362.03	6.08	-93.38
CC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505149	0	38	-2.0	-97.83	353.81	5.38	-92.45
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505150	0	38	-2.0	-96.04	360.28	5.82	-90.22
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)=C1	REAL300000505151	0	38	-2.0	-103.24	353.53	5.36	-97.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000505152	1	41	-2.0	-100.31	362.82	5.87	-94.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)C=C1CC(=O)[O-]	REAL300000505153	1	42	-2.0	-100.30	378.98	4.81	-95.49
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(N)=C1[N+](=O)[O-]	REAL300000505154	1	38	-2.0	-88.75	354.76	5.85	-82.90
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)C(N)=C1[N+](=O)[O-]	REAL300000505155	1	38	-2.0	-96.49	359.73	5.63	-90.86
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)C=C1C(=O)[O-]	REAL300000505156	0	39	-2.0	-98.38	356.45	4.87	-93.51
CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505157	1	38	-2.0	-93.35	362.27	5.74	-87.61
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(N)=C1[N+](=O)[O-]	REAL300000505158	1	38	-2.0	-87.29	344.51	5.21	-82.08
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(N)=C1[N+](=O)[O-]	REAL300000505159	1	38	-2.0	-97.76	348.04	5.51	-92.25
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(N)=C1[N+](=O)[O-]	REAL300000505160	0	37	-2.0	-105.60	352.23	6.52	-99.08
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(N)=C1[N+](=O)[O-]	REAL300000505161	0	35	-2.0	-102.52	332.13	4.69	-97.83
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505162	1	38	-2.0	-91.73	353.46	5.36	-86.37
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(N)=C1[N+](=O)[O-]	REAL300000505163	0	34	-2.0	-95.61	325.47	2.73	-92.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C([N+](=O)[O-])=C1N	REAL300000505164	0	39	-2.0	-90.83	356.70	4.46	-86.37
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(N)=C1[N+](=O)[O-]	REAL300000505165	0	32	-2.0	-87.52	328.61	3.63	-83.89
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(N)=C1[N+](=O)[O-]	REAL300000505166	1	42	-2.0	-93.36	374.62	6.55	-86.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(N)=C1[N+](=O)[O-]	REAL300000505167	1	42	-2.0	-95.77	372.58	6.53	-89.24
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C([N+](=O)[O-])=C2N)C=C(C(=O)[O-])O1	REAL300000505168	0	38	-2.0	-93.16	350.63	4.67	-88.49
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(O)C(OC)=C1	REAL300000505169	0	39	-2.0	-113.42	364.86	2.87	-110.55
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C(O)C(OC)=C1	REAL300000505170	0	39	-2.0	-102.50	360.32	2.84	-99.66
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(O)C(OC)=C1	REAL300000505171	0	39	-2.0	-116.18	360.33	2.84	-113.34
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C(O)C(OC)=C1	REAL300000505172	0	42	-2.0	-115.61	376.35	3.37	-112.24
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(O)C(OC)=C1	REAL300000505173	0	39	-2.0	-113.49	365.81	2.90	-110.59
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(O)C(OC)=C1	REAL300000505174	0	36	-2.0	-110.05	353.51	1.85	-108.20
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C(O)C(OC)=C1	REAL300000505175	0	42	-2.0	-117.60	375.77	3.63	-113.97
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(O)C(OC)=C1	REAL300000505176	0	40	-2.0	-114.24	366.98	2.20	-112.04
COC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(O)C(OC)=C1	REAL300000505177	0	36	-2.0	-111.58	351.98	1.89	-109.69
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(O)C(OC)=C1	REAL300000505178	0	39	-2.0	-109.95	363.33	1.98	-107.97
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(O)C(OC)=C1	REAL300000505179	0	39	-2.0	-101.74	364.85	2.88	-98.86
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(O)C(OC)=C1	REAL300000505180	0	36	-2.0	-104.06	352.59	1.97	-102.09
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(O)C(OC)=C1	REAL300000505181	0	39	-2.0	-105.31	366.73	2.91	-102.40
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(O)C(OC)=C1	REAL300000505182	0	39	-2.0	-101.72	365.79	2.91	-98.81
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C(O)C(OC)=C1	REAL300000505183	0	40	-2.0	-116.58	370.04	0.55	-116.03
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C(O)C(OC)=C1	REAL300000505184	0	42	-2.0	-106.38	382.51	3.63	-102.75
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C(O)C(OC)=C1	REAL300000505185	0	42	-2.0	-110.37	370.37	3.49	-106.88
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C(O)C(OC)=C1	REAL300000505186	0	42	-2.0	-103.02	375.74	3.63	-99.39
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=CC(OC)=C2O)C=C1C(=O)[O-]	REAL300000505187	0	43	-2.0	-115.52	388.36	3.06	-112.46
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C(O)C(OC)=C1	REAL300000505188	0	42	-2.0	-104.28	380.40	3.48	-100.80
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(O)C(OC)=C1	REAL300000505189	0	39	-2.0	-117.97	363.97	2.87	-115.10
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(O)C(OC)=C1	REAL300000505190	0	38	-2.0	-112.50	356.54	0.95	-111.55
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=CC(OC)=C2O)C=C(C(=O)[O-])O1	REAL300000505191	0	42	-2.0	-110.01	382.44	2.83	-107.18
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505192	1	42	-2.0	-131.80	378.80	5.46	-126.34
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505195	0	36	-2.0	-137.07	332.52	5.09	-131.98
COC1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505196	0	39	-2.0	-115.28	359.98	4.53	-110.75
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505197	0	35	-2.0	-117.28	335.87	3.44	-113.84
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505198	1	37	-2.0	-124.74	344.84	5.21	-119.53
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505199	1	37	-2.0	-120.21	344.77	5.20	-115.01
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505200	0	36	-2.0	-124.15	346.25	5.39	-118.76
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=CC(C(=O)[O-])=C1OC	REAL300000505201	0	37	-2.0	-135.68	342.14	5.09	-130.59
COC1=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505202	0	39	-2.0	-140.69	359.49	5.41	-135.28
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505203	1	41	-2.0	-125.83	368.20	6.00	-119.83
COC1=CC([N-]S(=O)(=O)C2=C(C)NN=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505204	0	39	-2.0	-121.81	340.23	2.63	-119.18
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505206	0	39	-2.0	-112.34	354.96	5.39	-106.95
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505207	0	44	-2.0	-138.45	381.75	3.89	-134.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1OC	REAL300000505208	1	44	-2.0	-126.35	382.73	4.02	-122.33
COC1=CC([N-]S(=O)(=O)C2=C(C)ON=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505210	0	38	-2.0	-116.16	338.94	3.73	-112.43
COC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505211	0	39	-2.0	-104.23	354.97	5.38	-98.85
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505211	1	38	-3.0	-196.44	352.49	5.37	-191.07
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505212	1	36	-2.0	-117.36	336.69	4.93	-112.43
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505213	1	39	-2.0	-129.99	345.43	5.48	-124.51
COC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505215	1	36	-2.0	-124.93	340.75	5.33	-119.60
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505216	1	41	-2.0	-126.54	364.43	5.20	-121.34
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505217	1	42	-2.0	-130.59	360.89	6.26	-124.33
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505219	1	36	-2.0	-117.77	346.58	5.38	-112.39
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505220	1	41	-2.0	-139.37	366.79	5.29	-134.08
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505222	0	42	-2.0	-142.48	369.25	6.19	-136.29
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CC(C(=O)[O-])=C1OC	REAL300000505226	0	33	-2.0	-120.07	332.99	4.43	-115.64
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505228	0	40	-2.0	-136.70	352.27	4.59	-132.11
COC1=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505229	0	42	-2.0	-141.06	370.98	5.91	-135.15
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505230	0	36	-2.0	-120.50	342.05	5.00	-115.50
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000505231	0	36	-2.0	-129.75	337.15	5.36	-124.39
COC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505232	1	38	-2.0	-124.89	352.24	5.48	-119.41
COC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505233	1	41	-2.0	-126.65	367.70	6.25	-120.40
COC1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC(C(=O)[O-])=C1OC	REAL300000505234	0	33	-2.0	-126.63	315.94	3.81	-122.82
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000505236	0	38	-2.0	-139.74	345.11	6.22	-133.52
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505239	0	36	-2.0	-123.37	335.91	4.94	-118.43
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505240	1	36	-2.0	-125.03	330.43	4.88	-120.15
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505241	1	36	-2.0	-118.20	336.83	4.95	-113.25
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000505243	1	42	-2.0	-128.40	368.48	3.97	-124.43
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505245	1	36	-2.0	-121.51	340.69	5.33	-116.18
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505246	0	38	-2.0	-115.28	352.25	5.48	-109.80
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=CC(C(=O)[O-])=C1OC	REAL300000505247	1	36	-2.0	-129.29	324.01	4.81	-124.48
COC1=CC([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505248	1	43	-2.0	-134.41	380.01	3.70	-130.71
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)S2)=CC(C(=O)[O-])=C1OC	REAL300000505249	0	36	-2.0	-127.63	337.84	4.61	-123.02
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505250	0	38	-3.0	-195.91	357.93	5.43	-190.48
COC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505251	1	41	-2.0	-122.13	362.25	6.08	-116.05
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505252	0	36	-2.0	-127.88	335.90	4.94	-122.94
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000505253	1	40	-2.0	-123.15	359.76	1.63	-121.52
COC1=CC([N-]S(=O)(=O)C2=CC=C(SC)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505254	1	40	-2.0	-126.05	364.15	5.83	-120.22
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000505255	1	41	-2.0	-124.55	366.04	3.26	-121.29
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(C(=O)[O-])=C1OC	REAL300000505256	0	35	-3.0	-188.69	345.65	4.38	-184.31
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000505257	1	39	-2.0	-122.33	355.75	2.31	-120.02
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505259	0	42	-2.0	-140.88	370.72	6.12	-134.76
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505259	1	41	-3.0	-200.17	367.89	6.16	-194.01
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505260	0	42	-2.0	-125.51	360.72	3.84	-121.67
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300000505261	1	42	-2.0	-122.53	378.73	5.47	-117.06
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300000505262	1	43	-2.0	-126.95	380.40	3.09	-123.86
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505263	1	40	-2.0	-126.89	358.46	1.59	-125.30
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505265	1	42	-2.0	-131.70	369.97	7.09	-124.61
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505270	0	36	-2.0	-133.09	329.52	4.87	-128.22
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505271	0	42	-2.0	-141.64	376.86	3.40	-138.24
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000505273	0	39	-2.0	-129.35	358.56	6.04	-123.31
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000505275	0	36	-2.0	-120.55	343.55	5.44	-115.11
COC1=CC(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505277	0	40	-2.0	-105.43	361.62	4.71	-100.72
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505277	1	39	-3.0	-193.34	359.13	4.71	-188.63
COC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=CC(C(=O)[O-])=C1OC	REAL300000505278	0	36	-2.0	-134.48	342.52	4.31	-130.17
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505279	0	41	-2.0	-125.25	366.01	0.97	-124.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1F	REAL300000505280	1	40	-2.0	-123.77	359.71	4.19	-119.58
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505283	1	43	-2.0	-122.44	374.57	2.26	-120.18
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505284	0	36	-2.0	-123.84	328.55	2.51	-121.33
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505285	1	41	-2.0	-115.76	367.71	6.25	-109.51
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=CN1C	REAL300000505287	0	44	-2.0	-125.61	387.97	2.46	-123.15
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505288	1	39	-2.0	-126.08	356.20	6.10	-119.98
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505291	1	37	-2.0	-116.64	360.20	5.62	-111.02
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505292	1	37	-2.0	-117.33	360.20	5.62	-111.71
COC1=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=CC(C(=O)[O-])=C1OC	REAL300000505293	1	40	-2.0	-132.96	362.38	5.18	-127.78
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505294	1	39	-2.0	-125.57	359.45	5.93	-119.64
COC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505295	0	36	-2.0	-128.69	345.67	5.37	-123.32
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505296	1	39	-2.0	-125.28	350.71	5.52	-119.76
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505297	1	39	-2.0	-122.13	356.23	6.09	-116.04
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505298	0	39	-2.0	-133.48	350.93	5.53	-127.95
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505299	1	39	-2.0	-126.37	345.88	5.65	-120.72
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000505301	0	41	-2.0	-140.65	362.37	7.15	-133.50
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505302	0	35	-3.0	-190.51	344.14	4.40	-186.11
COC1=CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505302	1	36	-2.0	-132.90	346.62	4.42	-128.48
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2O)=CC(C(=O)[O-])=C1OC	REAL300000505305	0	40	-2.0	-133.09	355.21	3.17	-129.92
COC1=CC(NS(=O)(=O)C2=CC(C)=CC=C2[O-])=CC(C(=O)[O-])=C1OC	REAL300000505305	1	40	-2.0	-106.63	354.36	3.99	-102.64
COC1=CC([N-]S(=O)(=O)C2=CNN=C2)=CC(C(=O)[O-])=C1OC	REAL300000505306	0	33	-2.0	-121.07	305.59	1.20	-119.87
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=CC(C(=O)[O-])=C1OC	REAL300000505307	1	40	-2.0	-119.10	361.77	5.19	-113.91
COC1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505308	0	36	-2.0	-125.62	338.87	5.16	-120.46
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505309	0	38	-3.0	-188.57	355.48	4.51	-184.06
COC1=CC(NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505309	1	39	-2.0	-127.99	358.98	4.49	-123.50
COC1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=CC(C(=O)[O-])=C1OC	REAL300000505310	0	39	-2.0	-150.02	352.19	4.01	-146.01
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505311	0	46	-2.0	-138.74	395.54	6.19	-132.55
COC1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505312	0	35	-2.0	-117.81	325.42	3.08	-114.73
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=CC(C(=O)[O-])=C1OC	REAL300000505313	1	41	-2.0	-130.04	360.15	5.23	-124.81
COC1=CC([N-]S(=O)(=O)C2=CN(C)C=N2)=CC(C(=O)[O-])=C1OC	REAL300000505314	0	36	-2.0	-135.00	328.19	3.90	-131.10
COC1=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)=CC(C(=O)[O-])=C1OC	REAL300000505316	0	40	-2.0	-115.82	363.75	1.79	-114.03
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505317	0	36	-2.0	-115.67	339.96	3.32	-112.35
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505318	0	36	-2.0	-129.36	335.80	4.94	-124.42
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=CC(C(=O)[O-])=C1OC	REAL300000505319	0	42	-2.0	-134.81	367.14	4.45	-130.36
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C)=N2)=CC(C(=O)[O-])=C1OC	REAL300000505320	0	39	-2.0	-136.52	347.72	3.69	-132.83
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000505321	0	39	-2.0	-124.06	350.10	3.38	-120.68
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505322	1	43	-2.0	-131.28	379.08	4.53	-126.75
COC1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000505323	1	41	-2.0	-126.58	359.99	4.11	-122.47
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000505324	0	36	-2.0	-124.85	343.52	5.44	-119.41
COC1=CC([N-]S(=O)(=O)C2=CNN=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505327	0	36	-2.0	-121.76	324.43	1.86	-119.90
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505328	1	40	-2.0	-130.62	353.52	4.11	-126.51
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505329	1	39	-2.0	-130.12	339.08	5.60	-124.52
COC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505331	0	36	-2.0	-133.37	328.86	2.35	-131.02
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C)=CC(C(=O)[O-])=C1OC	REAL300000505332	0	36	-2.0	-118.22	324.26	2.44	-115.78
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505338	0	39	-2.0	-132.55	350.92	5.55	-127.00
COC1=CC([N-]S(=O)(=O)C2=CNC=N2)=CC(C(=O)[O-])=C1OC	REAL300000505340	0	33	-2.0	-133.68	305.31	2.20	-131.48
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)O1	REAL300000505341	0	39	-2.0	-119.89	363.56	3.60	-116.29
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=CC(C(=O)[O-])=C1OC	REAL300000505342	0	41	-2.0	-145.86	363.95	5.44	-140.42
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505343	0	36	-2.0	-118.59	342.22	4.99	-113.60
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505344	0	38	-2.0	-118.12	354.67	4.03	-114.09
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505345	0	42	-2.0	-135.14	382.17	2.39	-132.75
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505348	0	48	-2.0	-125.91	402.12	5.45	-120.46
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CS2)=CC(C(=O)[O-])=C1OC	REAL300000505349	0	36	-2.0	-129.90	334.74	4.44	-125.46
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1C	REAL300000505350	0	45	-2.0	-125.69	383.44	4.75	-120.94
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505351	0	41	-2.0	-115.83	368.19	5.99	-109.84
COC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505354	1	40	-2.0	-126.01	360.26	5.99	-120.02
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)=CC(C(=O)[O-])=C1OC	REAL300000505355	1	48	-2.0	-128.18	376.24	7.50	-120.68
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505356	1	40	-2.0	-120.64	360.26	5.97	-114.67
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505359	0	37	-2.0	-122.79	350.32	5.27	-117.52
COC1=CC([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000505360	1	41	-2.0	-124.91	367.67	2.47	-122.44
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505361	0	42	-2.0	-124.10	368.77	3.89	-120.21
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505363	1	41	-2.0	-128.53	364.98	5.20	-123.33
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000505364	0	42	-2.0	-129.16	383.37	3.58	-125.58
COC1=CC([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=CC(C(=O)[O-])=C1OC	REAL300000505365	0	42	-2.0	-133.92	367.81	3.26	-130.66
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505368	1	36	-2.0	-111.39	343.01	4.99	-106.40
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=CN1C	REAL300000505370	0	43	-2.0	-130.25	385.19	4.91	-125.34
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505371	0	39	-2.0	-116.56	359.49	5.42	-111.14
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505371	1	38	-3.0	-178.74	357.01	5.41	-173.33
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(C(=O)[O-])=C1OC	REAL300000505373	0	35	-3.0	-182.08	344.73	4.50	-177.58
COC1=CC([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=CC(C(=O)[O-])=C1OC	REAL300000505374	0	45	-2.0	-135.36	388.72	6.05	-129.31
COC1=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505375	0	39	-2.0	-101.53	361.37	5.45	-96.08
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505375	1	38	-3.0	-185.71	358.88	5.44	-180.27
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=CN1	REAL300000505376	0	40	-2.0	-127.46	367.42	3.15	-124.31
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505377	0	38	-3.0	-179.79	357.95	5.44	-174.35
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505377	1	39	-2.0	-105.60	360.60	5.41	-100.19
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505378	1	39	-2.0	-124.59	344.40	5.63	-118.96
COC1=CC([N-]S(=O)(=O)C2=C(C)N=C(C)S2)=CC(C(=O)[O-])=C1OC	REAL300000505379	0	38	-2.0	-124.01	349.27	3.38	-120.63
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505380	1	40	-2.0	-135.01	366.21	5.98	-129.03
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505381	1	42	-2.0	-130.39	366.91	6.24	-124.15
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505382	1	39	-2.0	-125.14	351.83	5.55	-119.59
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505384	0	42	-2.0	-121.19	381.91	4.27	-116.92
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505385	0	39	-2.0	-123.57	356.24	5.57	-118.00
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=CC(C(=O)[O-])=C1OC	REAL300000505386	1	42	-2.0	-138.16	365.06	7.12	-131.04
COC1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000505387	0	38	-2.0	-124.49	355.99	4.29	-120.20
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(C(=O)[O-])=C1OC	REAL300000505388	0	39	-3.0	-199.64	362.20	3.07	-196.57
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(C(=O)[O-])=C1OC	REAL300000505388	1	39	-3.0	-193.77	361.39	3.89	-189.88
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=CC(C(=O)[O-])=C1OC	REAL300000505389	1	46	-2.0	-134.04	379.32	7.44	-126.60
COC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505390	0	42	-2.0	-113.50	377.15	6.16	-107.34
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505390	1	41	-3.0	-187.44	374.59	6.15	-181.29
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)O1	REAL300000505391	0	42	-2.0	-120.01	385.42	4.53	-115.48
COC1=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)SC=C1	REAL300000505393	0	37	-2.0	-137.70	345.30	3.51	-134.19
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CC(C(=O)[O-])=C1OC	REAL300000505394	0	39	-2.0	-128.82	353.76	5.20	-123.62
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=CC(C(=O)[O-])=C1OC	REAL300000505395	0	36	-2.0	-115.38	338.98	3.76	-111.62
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=CC(C(=O)[O-])=C1OC	REAL300000505396	0	36	-2.0	-129.06	344.36	3.64	-125.42
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505397	1	44	-2.0	-131.19	382.99	3.42	-127.77
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=CC(C(=O)[O-])=C1OC	REAL300000505398	0	37	-2.0	-131.32	339.86	3.55	-127.77
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=CC(C(=O)[O-])=C1OC	REAL300000505399	0	37	-2.0	-118.36	346.23	2.63	-115.73
COC1=CC([N-]S(=O)(=O)C2=CN=C(C)S2)=CC(C(=O)[O-])=C1OC	REAL300000505400	0	35	-2.0	-123.26	332.55	2.64	-120.62
COC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505401	0	42	-2.0	-103.94	364.80	5.99	-97.95
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505401	1	41	-3.0	-191.01	362.53	6.01	-185.00
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505403	0	42	-2.0	-116.04	370.67	6.13	-109.91
COC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505404	0	37	-2.0	-124.92	353.31	5.49	-119.43
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505405	0	39	-2.0	-127.57	356.18	5.58	-121.99
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=CC(C(=O)[O-])=C1OC	REAL300000505408	0	42	-2.0	-135.01	369.46	5.20	-129.81
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000505409	0	41	-2.0	-117.73	374.75	3.64	-114.09
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505410	1	44	-2.0	-139.28	387.10	6.08	-133.20
COCCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000505411	0	43	-2.0	-122.22	383.77	2.43	-119.79
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)=CC(C(=O)[O-])=C1OC	REAL300000505413	0	40	-2.0	-136.54	361.28	5.59	-130.95
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=CC(C(=O)[O-])=C1OC	REAL300000505414	0	45	-2.0	-128.07	397.01	6.46	-121.61
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505415	0	42	-2.0	-134.39	371.49	5.56	-128.83
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505416	0	44	-2.0	-122.49	382.05	2.55	-119.94
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505417	0	39	-2.0	-134.11	349.84	5.51	-128.60
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000505418	1	42	-2.0	-120.17	373.05	2.43	-117.74
COC1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=CC(C(=O)[O-])=C1OC	REAL300000505419	0	43	-2.0	-137.04	369.95	4.84	-132.20
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300000505420	1	43	-2.0	-128.63	379.03	4.54	-124.09
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505421	0	41	-2.0	-133.83	363.29	1.80	-132.03
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000505422	0	39	-2.0	-130.65	355.89	5.95	-124.70
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505424	0	39	-2.0	-126.58	346.98	4.39	-122.19
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505426	1	43	-2.0	-127.65	370.61	4.85	-122.80
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)O2)=CC(C(=O)[O-])=C1OC	REAL300000505428	0	36	-2.0	-126.59	328.60	3.62	-122.97
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)S2)=CC(C(=O)[O-])=C1OC	REAL300000505429	0	39	-2.0	-128.66	356.24	5.17	-123.49
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000505430	1	39	-2.0	-123.82	350.06	3.47	-120.35
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505431	1	36	-2.0	-118.68	347.15	5.40	-113.28
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C(C)O1	REAL300000505432	0	42	-2.0	-122.53	381.88	4.37	-118.16
COC1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505433	0	35	-2.0	-118.07	335.77	3.50	-114.57
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)N=C1C	REAL300000505434	0	42	-2.0	-136.32	369.73	4.60	-131.72
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000505435	0	39	-2.0	-130.22	358.55	6.03	-124.19
CCN1C=C(S(=O)(=O)NC2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000505436	0	43	-2.0	-105.86	382.97	5.59	-100.27
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000505436	1	42	-3.0	-194.81	380.50	5.58	-189.23
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505437	0	39	-2.0	-124.59	363.90	3.56	-121.03
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505438	0	48	-2.0	-127.25	400.16	5.39	-121.86
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000505439	0	36	-2.0	-133.19	340.09	5.61	-127.58
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000505440	0	38	-2.0	-125.66	353.90	4.12	-121.54
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505441	0	41	-2.0	-126.74	373.06	5.00	-121.74
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)S1	REAL300000505442	0	38	-2.0	-122.84	354.03	3.39	-119.45
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000505444	0	37	-2.0	-119.96	357.89	5.77	-114.19
COC1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CC(C(=O)[O-])=C1OC	REAL300000505445	0	39	-2.0	-137.74	351.95	5.13	-132.61
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505446	0	41	-2.0	-123.13	373.97	3.67	-119.46
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C=C2OC)=CC(C(=O)[O-])=C1OC	REAL300000505447	0	46	-2.0	-136.31	387.59	6.57	-129.74
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)=CC(C(=O)[O-])=C1OC	REAL300000505451	0	36	-2.0	-120.62	353.00	5.03	-115.59
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505452	1	39	-2.0	-134.74	358.19	5.74	-129.00
COC1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505453	0	39	-2.0	-123.01	363.09	3.66	-119.35
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2SC)=CC(C(=O)[O-])=C1OC	REAL300000505454	1	40	-2.0	-136.21	360.10	5.86	-130.35
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)C)=CC(C(=O)[O-])=C1OC	REAL300000505455	1	45	-2.0	-133.15	378.03	6.81	-126.34
COC1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=CC=C1F	REAL300000505456	1	40	-2.0	-120.03	359.72	4.19	-115.84
COC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=CC(C(=O)[O-])=C1OC	REAL300000505457	0	35	-2.0	-133.63	336.71	5.21	-128.42
COC1=CC([N-]S(=O)(=O)C2=CC=CO2)=CC(C(=O)[O-])=C1OC	REAL300000505458	0	33	-2.0	-125.57	306.69	2.80	-122.77
COC1=CC([N-]S(=O)(=O)C2=CN=NN2C)=CC(C(=O)[O-])=C1OC	REAL300000505459	0	35	-2.0	-111.64	317.44	1.27	-110.37
COC1=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=CC(C(=O)[O-])=C1OC	REAL300000505460	1	41	-2.0	-120.99	368.35	3.94	-117.05
COC1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505461	0	35	-2.0	-117.41	345.19	4.57	-112.84
COC1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CC(C(=O)[O-])=C1OC	REAL300000505462	0	40	-2.0	-128.95	352.01	4.24	-124.71
COC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000505463	0	37	-2.0	-124.73	357.91	5.76	-118.97
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505464	1	42	-2.0	-128.97	354.22	6.53	-122.44
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C(OC)=C1	REAL300000505465	0	44	-2.0	-143.49	377.99	5.32	-138.17
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505467	0	39	-2.0	-134.20	343.62	5.78	-128.42
COC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=CC(C(=O)[O-])=C1OC	REAL300000505468	0	40	-2.0	-141.10	362.41	4.89	-136.21
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=CC(C(=O)[O-])=C1OC	REAL300000505470	0	37	-2.0	-134.54	348.79	3.11	-131.43
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505471	0	39	-2.0	-123.87	348.59	2.28	-121.59
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=CC(C(=O)[O-])=C1OC	REAL300000505475	1	40	-2.0	-129.26	356.88	6.06	-123.20
COC1=CC([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505476	1	40	-2.0	-135.24	366.23	5.98	-129.26
COC1=CC([N-]S(=O)(=O)C2=C(C)ON=C2N)=CC(C(=O)[O-])=C1OC	REAL300000505478	0	37	-2.0	-115.51	330.45	2.22	-113.29
COC1=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505479	0	37	-2.0	-122.40	351.53	3.58	-118.82
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505481	1	43	-2.0	-131.84	368.98	4.88	-126.96
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=CC(C(=O)[O-])=C1OC	REAL300000505483	0	34	-2.0	-117.81	336.53	4.36	-113.45
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505484	0	38	-2.0	-124.79	340.62	3.64	-121.15
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505485	0	41	-2.0	-127.05	365.18	5.17	-121.88
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505486	1	40	-2.0	-119.91	363.96	5.70	-114.21
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505487	0	35	-2.0	-111.68	341.76	3.49	-108.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C(F)=C1	REAL300000505489	0	40	-2.0	-129.18	359.00	4.17	-125.01
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505491	1	39	-2.0	-126.17	358.13	5.74	-120.43
COC1=CC([N-]S(=O)(=O)C2=C(C)C=NN2C)=CC(C(=O)[O-])=C1OC	REAL300000505493	0	39	-2.0	-119.20	340.89	3.29	-115.91
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=CC(C(=O)[O-])=C1OC	REAL300000505495	0	34	-2.0	-117.72	327.95	3.35	-114.37
COC1=CC([N-]S(=O)(=O)C2=CSC=C2)=CC(C(=O)[O-])=C1OC	REAL300000505496	0	33	-2.0	-124.56	315.13	3.72	-120.84
COC1=CC([N-]S(=O)(=O)C2=COC=C2)=CC(C(=O)[O-])=C1OC	REAL300000505497	0	33	-2.0	-124.29	306.54	2.69	-121.60
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505498	0	42	-2.0	-110.06	370.97	5.92	-104.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000505499	1	39	-2.0	-120.18	351.18	1.50	-118.68
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505500	0	36	-2.0	-127.73	346.22	5.39	-122.34
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505501	1	47	-2.0	-131.40	402.15	5.94	-125.46
COC1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=CC(C(=O)[O-])=C1OC	REAL300000505502	0	39	-2.0	-130.27	360.58	6.17	-124.10
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=CC(C(=O)[O-])=C1OC	REAL300000505503	0	39	-2.0	-133.33	350.61	3.45	-129.88
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505504	1	43	-2.0	-130.75	375.37	5.04	-125.71
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=CC(C(=O)[O-])=C1OC	REAL300000505506	0	33	-2.0	-128.73	332.00	4.26	-124.47
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CS2)=CC(C(=O)[O-])=C1OC	REAL300000505507	0	36	-2.0	-126.55	337.58	4.47	-122.08
COC1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000505508	0	33	-2.0	-120.88	322.29	1.62	-119.26
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505509	0	35	-2.0	-119.60	330.92	2.93	-116.67
COC1=CC([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505510	0	45	-2.0	-121.60	388.45	3.87	-117.73
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505511	1	45	-2.0	-120.78	393.17	3.36	-117.42
COC1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=CC(C(=O)[O-])=C1OC	REAL300000505513	0	39	-2.0	-122.53	360.19	5.27	-117.26
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505514	0	41	-2.0	-136.90	365.10	4.41	-132.49
COC1=CC([N-]S(=O)(=O)C2=CC(C)=NS2)=CC(C(=O)[O-])=C1OC	REAL300000505515	0	35	-2.0	-119.15	332.50	3.10	-116.05
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC(C(=O)[O-])=C1OC	REAL300000505519	0	33	-2.0	-132.09	322.30	3.85	-128.24
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505520	1	37	-2.0	-116.57	350.70	5.24	-111.33
COC1=CC([N-]S(=O)(=O)C2=NC=CN2)=CC(C(=O)[O-])=C1OC	REAL300000505524	0	33	-2.0	-127.12	305.61	1.39	-125.73
COC1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505525	0	41	-2.0	-133.25	361.01	1.73	-131.52
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)S2)=CC(C(=O)[O-])=C1OC	REAL300000505526	0	39	-2.0	-130.24	355.45	5.34	-124.90
COC1=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000505527	0	37	-2.0	-115.36	347.37	3.67	-111.69
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505528	0	38	-2.0	-117.19	351.58	4.18	-113.01
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505532	0	39	-2.0	-126.39	344.67	3.04	-123.35
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300000505533	1	40	-2.0	-128.87	355.05	5.90	-122.97
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505534	0	39	-2.0	-124.82	347.39	3.17	-121.65
COC1=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505535	0	36	-2.0	-117.04	339.89	3.41	-113.63
COC1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=CC(C(=O)[O-])=C1OC	REAL300000505538	0	36	-2.0	-121.36	339.68	2.34	-119.02
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505539	0	38	-3.0	-198.97	356.14	5.40	-193.57
COC1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=CC(C(=O)[O-])=C1OC	REAL300000505540	0	38	-2.0	-139.56	355.22	4.22	-135.34
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000505541	1	41	-2.0	-130.98	359.82	4.65	-126.33
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000505543	0	39	-2.0	-129.82	351.14	6.31	-123.51
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CC(C(=O)[O-])=C1OC	REAL300000505544	0	41	-2.0	-139.19	360.32	4.63	-134.56
COC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505549	0	39	-2.0	-135.79	353.87	5.75	-130.04
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=CC(C(=O)[O-])=C1OC	REAL300000505550	1	41	-2.0	-126.27	367.87	3.27	-123.00
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505552	0	40	-2.0	-132.91	358.68	4.66	-128.25
COC1=CC([N-]S(=O)(=O)C2=CON=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505553	0	35	-2.0	-116.21	320.95	2.76	-113.45
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505554	1	39	-2.0	-122.42	359.47	5.92	-116.50
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CC(C(=O)[O-])=C1OC	REAL300000505555	1	42	-2.0	-137.91	372.12	5.80	-132.11
COC1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505557	0	35	-2.0	-128.82	324.53	2.98	-125.84
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505560	0	35	-2.0	-116.32	325.42	2.96	-113.36
COC1=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=CC(C(=O)[O-])=C1OC	REAL300000505562	0	34	-2.0	-130.44	334.43	4.21	-126.23
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505565	1	36	-2.0	-118.11	346.58	5.38	-112.73
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=CC(C(=O)[O-])=C1OC	REAL300000505566	0	44	-2.0	-139.61	376.21	6.02	-133.59
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505572	1	43	-2.0	-139.38	379.94	2.25	-137.13
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000505574	0	42	-2.0	-126.50	373.25	3.88	-122.62
COC1=CC([N-]S(=O)(=O)C2=CN=C(C)N2C)=CC(C(=O)[O-])=C1OC	REAL300000505576	0	39	-2.0	-123.62	343.16	3.86	-119.76
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)O1	REAL300000505578	0	42	-2.0	-120.59	381.46	4.19	-116.40
COC1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=CC(C(=O)[O-])=C1OC	REAL300000505579	0	39	-2.0	-123.80	363.77	4.30	-119.50
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505580	0	35	-2.0	-120.49	341.38	3.42	-117.07
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505581	0	39	-2.0	-129.23	356.07	5.59	-123.64
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)OC=C1	REAL300000505582	0	39	-2.0	-139.42	360.28	3.83	-135.59
COC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300000505583	0	38	-2.0	-139.95	351.12	3.79	-136.16
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C(C)=N1	REAL300000505584	0	48	-2.0	-124.62	411.93	5.57	-119.05
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(C(=O)[O-])=C1OC	REAL300000505585	0	37	-3.0	-194.04	348.68	3.49	-190.55
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)=CC(C(=O)[O-])=C1OC	REAL300000505586	0	40	-2.0	-126.49	356.67	4.86	-121.63
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505587	1	37	-2.0	-117.93	351.26	5.27	-112.66
COC1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=CC(C(=O)[O-])=C1OC	REAL300000505588	0	38	-2.0	-139.68	347.19	3.99	-135.69
COC1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=CC(C(=O)[O-])=C1OC	REAL300000505588	1	38	-2.0	-123.94	347.27	3.85	-120.09
COC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=CC(C(=O)[O-])=C1OC	REAL300000505589	0	40	-2.0	-134.97	357.76	4.77	-130.20
COC1=CC([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=CC(C(=O)[O-])=C1OC	REAL300000505590	0	46	-2.0	-123.29	384.98	4.93	-118.36
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=CC(C(=O)[O-])=C1OC	REAL300000505591	0	48	-2.0	-124.10	392.42	5.43	-118.67
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505593	0	46	-2.0	-124.20	391.43	5.15	-119.05
COC1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=CC(C(=O)[O-])=C1OC	REAL300000505595	0	37	-2.0	-102.75	339.41	3.36	-99.39
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=CC(C(=O)[O-])=C1OC	REAL300000505595	1	37	-2.0	-128.30	340.19	2.56	-125.74
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505597	0	39	-2.0	-141.39	354.99	2.47	-138.92
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505598	0	42	-2.0	-125.06	368.18	3.90	-121.16
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505599	1	41	-2.0	-126.68	371.28	5.38	-121.30
COC1=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505600	0	36	-2.0	-118.50	329.22	2.16	-116.34
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2C#N)=CC(C(=O)[O-])=C1OC	REAL300000505601	0	40	-2.0	-134.18	363.51	5.76	-128.42
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)=CC(C(=O)[O-])=C1OC	REAL300000505602	0	40	-2.0	-136.65	355.69	6.05	-130.60
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505604	1	43	-2.0	-131.86	387.71	6.77	-125.09
COC1=NSC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505606	0	36	-2.0	-115.89	343.26	0.61	-115.28
COC1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC(C(=O)[O-])=C1OC	REAL300000505608	0	32	-2.0	-119.02	310.75	2.51	-116.51
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505611	0	40	-2.0	-127.12	363.56	0.42	-126.70
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505612	1	45	-2.0	-129.97	375.73	7.30	-122.67
COC1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=CC(C(=O)[O-])=C1OC	REAL300000505613	0	36	-2.0	-121.65	344.25	4.73	-116.92
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=CC(C(=O)[O-])=C1OC	REAL300000505615	1	41	-2.0	-136.94	360.25	5.32	-131.62
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505616	0	43	-2.0	-127.43	385.41	5.01	-122.42
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505617	0	37	-2.0	-128.85	349.84	5.23	-123.62
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=N2)=CC(C(=O)[O-])=C1OC	REAL300000505618	0	35	-2.0	-127.61	322.80	1.13	-126.48
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505619	0	43	-2.0	-124.25	373.90	4.49	-119.76
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=CC(C(=O)[O-])=C1OC	REAL300000505620	0	43	-2.0	-121.33	369.23	4.78	-116.55
COC1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=CC(C(=O)[O-])=C1OC	REAL300000505621	0	46	-2.0	-123.32	393.55	5.34	-117.98
COC1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=CC(C(=O)[O-])=C1OC	REAL300000505622	0	43	-2.0	-127.90	368.40	4.82	-123.08
COC1=CC([N-]S(=O)(=O)C2=C(C)SC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505623	1	39	-2.0	-123.92	347.59	5.53	-118.39
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=CC(C(=O)[O-])=C1OC	REAL300000505624	0	44	-2.0	-140.31	381.47	5.40	-134.91
COC1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000505625	0	33	-2.0	-124.75	329.48	4.24	-120.51
COC1=CC([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505626	0	41	-2.0	-141.79	364.70	4.42	-137.37
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505627	0	38	-2.0	-112.43	339.24	2.14	-110.29
COC1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505629	1	37	-2.0	-115.44	338.89	3.59	-111.85
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=CC(C(=O)[O-])=C1OC	REAL300000505630	0	39	-2.0	-129.68	362.87	6.23	-123.45
COC1=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=CC(C(=O)[O-])=C1OC	REAL300000505631	0	43	-2.0	-119.56	375.94	4.54	-115.02
COC1=CC([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)=CC(C(=O)[O-])=C1OC	REAL300000505633	0	44	-2.0	-133.98	379.75	4.72	-129.26
COC1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=CC(C(=O)[O-])=C1OC	REAL300000505634	0	39	-2.0	-129.48	353.76	5.09	-124.39
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=CC(C(=O)[O-])=C1OC	REAL300000505635	0	43	-2.0	-128.07	379.32	4.73	-123.34
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=CC(C(=O)[O-])=C1OC	REAL300000505636	0	39	-2.0	-135.87	353.45	4.02	-131.85
COC1=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=CC(C(=O)[O-])=C1OC	REAL300000505637	0	41	-2.0	-144.93	368.55	3.22	-141.71
COC1=CC([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=CC(C(=O)[O-])=C1OC	REAL300000505638	0	43	-2.0	-130.31	364.97	6.73	-123.58
COC1=CC([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505639	1	40	-2.0	-126.80	352.05	2.51	-124.29
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=C(OC)C(OC)=C1	REAL300000505640	0	36	-2.0	-123.77	341.33	0.67	-123.10
COC1=CC([N-]S(=O)(=O)C2=C(C)NC=N2)=CC(C(=O)[O-])=C1OC	REAL300000505641	0	36	-2.0	-134.40	322.93	2.88	-131.52
COC1=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505643	1	39	-2.0	-125.79	357.74	5.19	-120.60
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=CC(C(=O)[O-])=C1OC	REAL300000505644	0	46	-2.0	-128.33	395.55	5.22	-123.11
COC1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=CC(C(=O)[O-])=C1OC	REAL300000505645	0	33	-2.0	-124.65	329.85	4.35	-120.30
COC1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505646	0	46	-2.0	-124.33	397.97	5.45	-118.88
COC1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=CC(C(=O)[O-])=C1OC	REAL300000505647	0	40	-2.0	-132.28	360.76	6.01	-126.27
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505648	1	45	-2.0	-130.50	388.41	7.02	-123.48
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505649	0	42	-2.0	-116.43	379.30	3.21	-113.22
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=CC(C(=O)[O-])=C1OC	REAL300000505650	0	37	-2.0	-130.10	348.56	5.16	-124.94
COC1=CC([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=CC(C(=O)[O-])=C1OC	REAL300000505651	0	43	-2.0	-123.75	368.68	4.39	-119.36
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=CC(C(=O)[O-])=C1OC	REAL300000505654	0	45	-2.0	-118.32	371.05	4.70	-113.62
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505655	0	45	-2.0	-125.08	388.51	4.52	-120.56
COC1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=CC(C(=O)[O-])=C1OC	REAL300000505656	0	43	-2.0	-125.13	372.51	3.92	-121.21
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505657	0	47	-2.0	-124.54	398.27	5.63	-118.91
COC1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000505658	1	39	-2.0	-128.28	351.95	5.63	-122.65
COC1=CC([N-]S(=O)(=O)C2=CC(C)=NN2C)=CC(C(=O)[O-])=C1OC	REAL300000505659	0	39	-2.0	-118.97	346.19	3.02	-115.95
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=CC(C(=O)[O-])=C1OC	REAL300000505662	1	39	-2.0	-138.94	344.99	6.10	-132.84
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000505663	0	37	-2.0	-125.72	356.62	5.66	-120.06
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505664	1	43	-2.0	-130.27	373.23	6.92	-123.35
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=C(OC)C(OC)=C2)C=CS1	REAL300000505665	0	37	-2.0	-132.77	346.28	3.26	-129.51
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505666	0	43	-2.0	-131.08	378.72	6.98	-124.10
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=CC(C(=O)[O-])=C1OC	REAL300000505667	0	46	-2.0	-121.91	388.83	5.42	-116.49
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505668	0	45	-2.0	-123.47	385.15	4.63	-118.84
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=CC(C(=O)[O-])=C1OC	REAL300000505670	0	41	-2.0	-137.41	367.62	3.17	-134.24
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)O1	REAL300000505671	0	39	-2.0	-126.72	350.09	4.41	-122.31
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=CC(C(=O)[O-])=C1OC	REAL300000505672	0	36	-2.0	-118.47	347.86	4.03	-114.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)S1	REAL300000505673	0	37	-2.0	-124.19	347.80	3.26	-120.93
COC1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505674	0	39	-2.0	-121.50	356.69	3.50	-118.00
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000505675	1	46	-2.0	-131.56	400.94	5.50	-126.06
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CC(C(=O)[O-])=C1OC	REAL300000505676	1	39	-2.0	-132.68	344.57	5.77	-126.91
COC1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC(C(=O)[O-])=C1OC	REAL300000505677	0	39	-2.0	-129.45	349.49	5.22	-124.23
COC1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000505678	1	38	-2.0	-129.13	354.97	4.20	-124.93
CCN1N=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000505679	0	38	-2.0	-123.63	344.72	1.68	-121.95
CCN1N=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1Cl	REAL300000505680	0	39	-2.0	-121.95	365.71	3.74	-118.21
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC(C(=O)[O-])=C1OC	REAL300000505681	0	33	-2.0	-119.77	323.77	3.42	-116.35
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=CC(C(=O)[O-])=C1OC	REAL300000505684	0	40	-2.0	-128.00	367.84	6.13	-121.87
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CO2)=CC(C(=O)[O-])=C1OC	REAL300000505685	0	36	-2.0	-125.77	328.61	3.47	-122.30
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=NN1	REAL300000505686	0	42	-2.0	-124.01	384.21	2.61	-121.40
COC1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505687	0	35	-2.0	-111.26	341.65	3.44	-107.82
COC1=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=CC(C(=O)[O-])=C1OC	REAL300000505688	0	42	-2.0	-124.29	368.40	4.75	-119.54
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=CC(C(=O)[O-])=C1OC	REAL300000505689	1	43	-2.0	-135.20	377.74	6.57	-128.63
COC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505690	0	36	-2.0	-121.58	343.87	2.86	-118.72
COC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=CC(C(=O)[O-])=C1OC	REAL300000505691	0	34	-2.0	-127.18	325.87	3.27	-123.91
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505692	0	38	-2.0	-118.48	351.75	4.20	-114.28
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000505693	0	46	-2.0	-128.31	400.83	5.61	-122.70
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC(C(=O)[O-])=C1OC	REAL300000505696	0	33	-2.0	-123.30	322.79	3.31	-119.99
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CC(C(=O)[O-])=C1OC	REAL300000505697	0	33	-2.0	-120.98	332.80	4.32	-116.66
COC1=CC([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=CC(C(=O)[O-])=C1OC	REAL300000505698	0	44	-2.0	-120.10	376.32	2.55	-117.55
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=CC(C(=O)[O-])=C1OC	REAL300000505699	1	43	-2.0	-134.22	367.56	6.97	-127.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C(C)=N1	REAL300000505701	1	42	-2.0	-120.69	366.44	2.26	-118.43
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)=CC(C(=O)[O-])=C1OC	REAL300000505702	0	42	-2.0	-132.09	371.44	2.62	-129.47
COC1=CC([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505703	1	42	-2.0	-121.15	371.33	2.22	-118.93
COC1=CC([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505704	0	45	-2.0	-124.57	391.43	4.90	-119.67
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)=CC(C(=O)[O-])=C1OC	REAL300000505705	0	45	-2.0	-125.33	387.61	4.55	-120.78
COC1=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=CC(C(=O)[O-])=C1OC	REAL300000505706	0	34	-2.0	-125.77	326.99	3.22	-122.55
COC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=CC(C(=O)[O-])=C1OC	REAL300000505707	0	34	-2.0	-130.60	333.44	4.18	-126.42
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)C)=CC(C(=O)[O-])=C1OC	REAL300000505708	0	42	-2.0	-122.46	366.93	4.01	-118.45
COC1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CC(C(=O)[O-])=C1OC	REAL300000505709	0	43	-2.0	-119.95	376.21	4.92	-115.03
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505711	0	45	-2.0	-127.13	388.51	4.55	-122.58
COC1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505712	0	38	-2.0	-127.14	353.26	3.92	-123.22
COC1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505714	1	37	-2.0	-128.42	335.04	1.96	-126.46
COC1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC(C(=O)[O-])=C1OC	REAL300000505715	0	32	-2.0	-117.01	309.65	2.40	-114.61
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000505716	0	41	-2.0	-136.00	364.81	4.39	-131.61
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000505717	0	41	-3.0	-189.24	374.61	5.35	-183.89
CCC1=C(S(=O)(=O)NC2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000505717	1	42	-2.0	-140.13	377.90	4.83	-135.30
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)=CC(C(=O)[O-])=C1OC	REAL300000505718	0	36	-2.0	-121.65	349.24	5.21	-116.44
COC1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC(C(=O)[O-])=C1OC	REAL300000505719	0	32	-2.0	-122.04	310.61	1.93	-120.11
COC1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=CC(C(=O)[O-])=C1OC	REAL300000505720	0	43	-2.0	-128.15	369.74	4.12	-124.03
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=CC(C(=O)[O-])=C1OC	REAL300000505721	0	39	-2.0	-133.48	350.93	5.53	-127.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=CC=C1F	REAL300000505722	1	34	-2.0	-99.67	320.10	4.16	-95.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1	REAL300000505723	1	34	-2.0	-90.31	315.56	4.14	-86.17
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505724	1	34	-2.0	-101.66	315.57	4.13	-97.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2	REAL300000505725	0	38	-2.0	-106.20	343.71	3.93	-102.27
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1	REAL300000505726	1	38	-2.0	-89.89	347.04	5.43	-84.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1C(=O)[O-]	REAL300000505727	1	37	-2.0	-102.60	331.59	4.67	-97.93
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505728	0	34	-2.0	-97.11	328.64	4.70	-92.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=CC=C1Cl	REAL300000505729	1	34	-2.0	-97.74	328.07	4.52	-93.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1C	REAL300000505730	1	40	-2.0	-104.06	347.96	5.44	-98.62
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505731	0	34	-2.0	-98.58	321.04	4.19	-94.39
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1	REAL300000505732	1	40	-2.0	-88.74	359.14	5.72	-83.02
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505733	0	31	-2.0	-96.42	308.75	3.15	-93.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2	REAL300000505734	1	37	-2.0	-102.25	331.00	4.91	-97.34
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1	REAL300000505735	1	38	-2.0	-88.56	346.65	4.42	-84.14
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1C(=O)[O-]	REAL300000505736	0	35	-2.0	-100.18	322.22	3.49	-96.69
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2	REAL300000505737	1	38	-2.0	-102.68	339.77	2.94	-99.74
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505738	0	34	-2.0	-92.87	324.68	3.82	-89.05
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1C(=O)[O-]	REAL300000505739	1	40	-2.0	-103.32	347.02	5.45	-97.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=CS1	REAL300000505740	0	31	-2.0	-97.75	307.22	3.16	-94.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1C(=O)[O-]	REAL300000505741	1	38	-2.0	-107.45	342.85	4.20	-103.25
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505742	1	44	-2.0	-105.52	370.81	6.76	-98.76
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2	REAL300000505743	1	43	-2.0	-103.95	369.47	6.14	-97.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2	REAL300000505744	1	40	-2.0	-100.75	343.64	5.77	-94.98
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2	REAL300000505745	0	41	-2.0	-106.73	366.00	4.70	-102.03
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2C=CC(=O)N3)=CC(C(=O)[O-])=C1	REAL300000505746	0	37	-2.0	-109.60	342.87	4.60	-105.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=CC(C(=O)[O-])=C1	REAL300000505746	1	36	-3.0	-176.47	343.97	4.70	-171.77
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505747	1	41	-2.0	-105.92	359.81	6.03	-99.89
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C(C(=O)[O-])O1	REAL300000505748	0	34	-2.0	-96.23	318.57	3.27	-92.96
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505749	0	38	-2.0	-102.96	344.49	3.22	-99.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C(Cl)C=C1F	REAL300000505750	0	34	-2.0	-94.36	333.16	4.72	-89.64
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=CC=C1OCC(=O)[O-]	REAL300000505751	1	41	-2.0	-88.97	366.73	5.12	-83.85
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2	REAL300000505752	1	37	-2.0	-93.71	335.87	4.96	-88.75
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1F	REAL300000505753	1	38	-2.0	-88.44	352.86	4.48	-83.96
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1C(=O)[O-]	REAL300000505754	1	41	-2.0	-108.07	364.70	5.11	-102.96
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C(C(=O)[O-])S1	REAL300000505755	0	34	-2.0	-99.01	325.26	4.02	-94.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C(Cl)=C1	REAL300000505756	0	34	-2.0	-87.89	328.62	4.69	-83.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1F	REAL300000505757	1	34	-2.0	-90.10	320.08	4.17	-85.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)S1	REAL300000505758	0	31	-2.0	-91.81	307.82	3.26	-88.55
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505759	0	34	-2.0	-93.05	321.97	4.20	-88.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1F	REAL300000505760	0	37	-2.0	-99.77	341.33	4.84	-94.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C(F)=C1	REAL300000505761	0	34	-2.0	-89.56	321.03	4.20	-85.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1Cl	REAL300000505762	1	34	-2.0	-87.96	328.05	4.53	-83.43
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2	REAL300000505763	1	37	-2.0	-95.28	344.60	5.35	-89.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=CC(F)=C1F	REAL300000505764	1	34	-2.0	-91.70	326.39	4.22	-87.48
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505765	0	36	-2.0	-87.60	343.76	4.80	-82.80
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505766	0	35	-2.0	-101.25	325.28	1.84	-99.41
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505766	1	35	-2.0	-104.92	319.67	2.67	-102.25
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1	REAL300000505767	1	37	-2.0	-92.92	337.74	4.92	-88.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=CC(Cl)=C1F	REAL300000505768	1	34	-2.0	-92.96	336.27	4.66	-88.30
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2	REAL300000505769	1	37	-2.0	-98.21	325.61	4.77	-93.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=CC(C(=O)[O-])=C1F	REAL300000505770	1	37	-2.0	-100.84	340.41	4.78	-96.06
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2	REAL300000505771	1	37	-2.0	-90.45	330.98	4.90	-85.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=CC(C(=O)[O-])=C1C	REAL300000505772	1	40	-2.0	-104.29	348.44	5.20	-99.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=CC=C1[N+](=O)[O-]	REAL300000505773	0	36	-2.0	-101.16	342.12	5.23	-95.93
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505774	0	34	-2.0	-90.78	327.30	4.26	-86.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C(C)=C1C(=O)[O-]	REAL300000505775	1	40	-2.0	-102.39	350.05	5.52	-96.87
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1C(=O)[O-]	REAL300000505776	0	37	-2.0	-99.48	337.04	4.73	-94.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1Cl	REAL300000505777	0	37	-2.0	-98.74	347.33	5.27	-93.47
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505778	0	37	-2.0	-106.55	340.60	4.82	-101.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1C(=O)[O-]	REAL300000505779	1	40	-2.0	-103.14	349.50	5.32	-97.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1CC(=O)[O-]	REAL300000505780	1	41	-2.0	-104.26	366.03	4.25	-100.01
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2	REAL300000505781	1	37	-2.0	-91.76	341.83	5.32	-86.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=CC(C(=O)[O-])=C1Cl	REAL300000505782	1	37	-2.0	-99.38	346.80	5.09	-94.29
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1C(=O)[O-]	REAL300000505783	0	38	-2.0	-101.38	343.60	4.35	-97.03
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1C(=O)[O-]	REAL300000505784	1	37	-2.0	-96.28	349.34	5.20	-91.08
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=CC=C1C(=O)[O-]	REAL300000505785	1	37	-2.0	-90.30	331.57	4.68	-85.62
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2	REAL300000505786	1	37	-2.0	-100.45	335.10	4.96	-95.49
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1[N+](=O)[O-]	REAL300000505787	0	36	-2.0	-109.06	339.31	5.99	-103.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1F	REAL300000505788	0	34	-2.0	-105.90	319.19	4.16	-101.74
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C1C(=O)[O-]	REAL300000505789	1	37	-2.0	-94.63	340.53	4.81	-89.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=CC2=CC=CC=C21	REAL300000505790	1	40	-2.0	-109.35	356.61	6.25	-103.10
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C1	REAL300000505791	0	33	-2.0	-98.44	312.55	2.18	-96.26
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C=CC(=O)N2	REAL300000505792	0	38	-2.0	-93.83	343.77	3.93	-89.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)=C(Cl)O1	REAL300000505793	0	31	-2.0	-90.36	315.67	3.10	-87.26
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3C=CC(=O)N4)C=C2)CC1	REAL300000505794	1	41	-2.0	-96.13	361.69	6.02	-90.11
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3C=CC(=O)N4)C=C2C1	REAL300000505795	1	41	-2.0	-99.03	359.65	6.00	-93.03
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C=CC(=O)N3)C=C(C(=O)[O-])O1	REAL300000505796	0	37	-2.0	-95.93	337.57	4.11	-91.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1F	REAL300000505797	0	32	-3.0	-178.82	330.28	4.25	-174.57
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1F	REAL300000505797	1	33	-2.0	-108.51	328.43	4.34	-104.17
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1F	REAL300000505797	1	33	-2.0	-108.51	328.44	4.34	-104.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300000505798	0	32	-3.0	-167.66	325.72	4.23	-163.43
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300000505798	1	33	-2.0	-92.40	323.80	4.32	-88.08
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300000505798	1	33	-2.0	-92.41	323.81	4.32	-88.09
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300000505799	0	32	-3.0	-182.24	325.74	4.22	-178.02
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300000505799	1	33	-2.0	-108.31	323.88	4.30	-104.01
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300000505799	1	32	-3.0	-182.17	325.77	4.22	-177.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000505800	0	35	-3.0	-184.21	341.75	4.76	-179.45
CC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000505800	1	36	-2.0	-88.97	339.99	4.85	-84.12
CC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300000505800	1	36	-2.0	-88.91	339.98	4.85	-84.06
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300000505801	0	32	-3.0	-176.08	331.20	4.29	-171.79
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300000505801	1	32	-3.0	-176.01	331.24	4.29	-171.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300000505802	0	29	-3.0	-175.71	318.93	3.24	-172.47
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300000505802	1	29	-3.0	-175.63	318.96	3.24	-172.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300000505803	0	35	-3.0	-177.43	341.17	5.00	-172.43
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300000505803	1	36	-2.0	-86.59	337.34	5.26	-81.33
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300000505803	1	36	-2.0	-86.48	337.32	5.27	-81.21
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000505804	0	33	-3.0	-180.40	332.38	3.58	-176.82
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300000505804	1	33	-3.0	-180.37	332.42	3.58	-176.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300000505805	0	32	-3.0	-171.45	334.87	3.91	-167.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300000505805	1	32	-3.0	-171.42	334.90	3.91	-167.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CS1	REAL300000505806	0	29	-3.0	-177.24	317.38	3.27	-173.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CS1	REAL300000505806	1	29	-3.0	-177.19	317.42	3.27	-173.92
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL300000505807	0	32	-3.0	-171.29	328.74	3.36	-167.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL300000505807	1	32	-3.0	-171.23	328.77	3.36	-167.87
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL300000505808	0	32	-3.0	-173.82	335.43	4.10	-169.72
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL300000505808	1	32	-3.0	-173.77	335.46	4.10	-169.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1F	REAL300000505809	0	32	-3.0	-166.74	330.27	4.26	-162.48
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1F	REAL300000505809	1	33	-2.0	-91.75	328.38	4.35	-87.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1F	REAL300000505809	1	32	-3.0	-166.69	330.30	4.27	-162.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300000505810	0	29	-3.0	-169.77	317.99	3.35	-166.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300000505810	1	29	-3.0	-169.74	318.02	3.35	-166.39
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300000505811	0	32	-3.0	-172.61	332.15	4.28	-168.33
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300000505811	1	32	-3.0	-172.51	332.18	4.29	-168.22
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300000505811	1	33	-2.0	-84.59	330.24	4.38	-80.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(F)=C1	REAL300000505812	0	32	-3.0	-168.47	331.20	4.29	-164.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(F)=C1	REAL300000505812	1	32	-3.0	-168.47	331.23	4.30	-164.17
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300000505813	0	33	-3.0	-174.05	335.45	1.94	-172.11
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300000505813	1	33	-3.0	-173.98	335.48	1.94	-172.04
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300000505814	0	35	-3.0	-168.15	347.91	5.01	-163.14
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300000505814	1	36	-2.0	-90.30	346.06	5.10	-85.20
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300000505814	1	35	-3.0	-168.08	347.94	5.01	-163.07
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300000505815	0	35	-3.0	-183.63	335.77	4.86	-178.77
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300000505815	1	36	-2.0	-109.14	332.32	5.10	-104.04
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300000505815	1	36	-2.0	-109.15	332.34	5.10	-104.05
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300000505815	1	35	-3.0	-183.56	335.81	4.85	-178.71
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300000505816	0	35	-3.0	-167.14	341.15	4.98	-162.16
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300000505816	1	36	-2.0	-90.97	338.06	5.23	-85.74
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300000505816	1	36	-2.0	-91.04	338.00	5.23	-85.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300000505817	0	36	-3.0	-182.22	353.75	4.43	-177.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300000505817	1	36	-3.0	-182.14	353.78	4.44	-177.70
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300000505818	0	35	-3.0	-168.21	341.74	4.77	-163.44
CC1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300000505818	1	36	-2.0	-94.67	343.86	4.96	-89.71
CC1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300000505818	1	36	-2.0	-94.61	343.88	4.96	-89.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1F	REAL300000505819	0	32	-3.0	-192.45	329.36	4.25	-188.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1F	REAL300000505819	1	32	-3.0	-192.42	329.39	4.25	-188.17
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300000505820	0	31	-3.0	-180.64	321.95	2.36	-178.28
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300000505820	1	31	-3.0	-180.55	321.98	2.36	-178.19
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL300000505821	0	35	-3.0	-168.99	343.79	4.33	-164.66
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL300000505821	1	35	-3.0	-168.94	343.81	4.34	-164.60
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000505822	0	42	-2.0	-129.31	375.76	3.62	-125.69
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000505823	0	39	-2.0	-128.24	360.32	2.84	-125.40
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C1O	REAL300000505824	0	38	-2.0	-122.79	341.46	2.02	-120.77
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3CC2)=C1O	REAL300000505825	1	41	-2.0	-125.44	360.02	4.59	-120.85
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1O	REAL300000505826	0	33	-2.0	-132.96	314.04	2.46	-130.50
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1O	REAL300000505827	0	35	-3.0	-177.36	339.00	1.90	-175.46
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1O	REAL300000505827	1	36	-2.0	-110.05	338.98	1.85	-108.20
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1O	REAL300000505828	0	32	-2.0	-113.42	317.40	0.82	-112.60
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C1O	REAL300000505829	0	34	-2.0	-120.95	326.35	2.58	-118.37
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=C1O	REAL300000505830	0	34	-2.0	-115.99	326.36	2.58	-113.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1O	REAL300000505831	0	33	-2.0	-120.07	327.77	2.77	-117.30
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=C1O	REAL300000505832	0	34	-2.0	-131.21	323.60	2.46	-128.75
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000505833	0	35	-3.0	-190.38	338.53	2.78	-187.60
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000505833	1	36	-2.0	-135.89	338.49	2.72	-133.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C(C)=C(C)C(C)=C2C)=C1O	REAL300000505834	0	48	-2.0	-127.21	382.20	5.34	-121.87
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1O	REAL300000505835	0	42	-2.0	-122.34	368.36	2.13	-120.21
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)=C1O	REAL300000505836	0	38	-2.0	-121.41	349.74	3.38	-118.03
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)NN=C2C)=C1O	REAL300000505837	0	36	-2.0	-117.51	321.79	0.02	-117.49
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1O	REAL300000505838	0	36	-2.0	-115.63	344.27	3.19	-112.44
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1O	REAL300000505839	0	43	-2.0	-126.93	368.26	4.67	-122.26
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300000505840	0	35	-3.0	-177.18	333.99	2.76	-174.42
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300000505840	1	36	-2.0	-108.77	334.00	2.70	-106.07
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000505841	0	41	-2.0	-134.42	363.28	1.27	-133.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1OC	REAL300000505842	0	41	-2.0	-122.35	364.26	1.39	-120.96
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1O	REAL300000505843	0	40	-2.0	-126.90	351.07	4.09	-122.81
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)ON=C2C)=C1O	REAL300000505844	0	35	-2.0	-111.94	320.46	1.11	-110.83
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1O	REAL300000505845	0	33	-2.0	-114.35	337.45	3.17	-111.18
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1O	REAL300000505846	0	35	-3.0	-194.57	334.00	2.75	-191.82
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1O	REAL300000505846	1	36	-2.0	-99.44	334.04	2.69	-96.75
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1O	REAL300000505847	0	33	-2.0	-113.04	318.23	2.31	-110.73
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1O	REAL300000505848	0	33	-2.0	-120.60	335.40	3.27	-117.33
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1O	REAL300000505849	0	36	-2.0	-120.55	344.62	3.21	-117.34
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2)=C1O	REAL300000505850	0	36	-2.0	-126.04	326.96	2.86	-123.18
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C=CC2=CC=CC=C2)=C1O	REAL300000505851	1	37	-2.0	-122.45	337.44	3.37	-119.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1O	REAL300000505852	0	36	-2.0	-127.14	331.41	3.57	-123.57
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1O	REAL300000505853	0	33	-2.0	-121.06	322.27	2.71	-118.35
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)=C1O	REAL300000505854	0	38	-2.0	-122.91	346.78	2.60	-120.31
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2C)=C1O	REAL300000505855	0	39	-2.0	-126.55	342.44	3.63	-122.92
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)=C1O	REAL300000505856	0	39	-2.0	-126.91	343.95	3.38	-123.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1O	REAL300000505857	0	33	-2.0	-113.49	328.12	2.76	-110.73
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)=C1O	REAL300000505858	0	38	-2.0	-135.70	346.81	2.59	-133.11
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2C)=C1O	REAL300000505859	0	39	-2.0	-125.71	342.44	3.63	-122.08
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000505860	0	39	-2.0	-138.10	350.78	3.57	-134.53
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000505861	0	42	-2.0	-118.23	382.16	3.78	-114.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1O	REAL300000505862	0	33	-2.0	-121.47	333.86	3.21	-118.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1[N+](=O)[O-]	REAL300000505863	0	39	-2.0	-121.19	361.05	2.93	-118.26
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=C1O	REAL300000505864	0	45	-2.0	-124.31	381.76	4.51	-119.80
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)C)C=C2)=C1O	REAL300000505865	0	42	-2.0	-124.31	365.78	4.12	-120.19
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000505866	0	45	-2.0	-124.15	384.22	4.78	-119.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000505867	0	39	-3.0	-202.60	362.14	2.55	-200.05
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1O	REAL300000505868	0	39	-3.0	-177.17	365.45	4.04	-173.13
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1O	REAL300000505868	1	40	-2.0	-110.36	365.47	3.99	-106.37
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1O	REAL300000505869	0	33	-2.0	-125.05	329.14	3.50	-121.55
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1O	REAL300000505870	0	30	-2.0	-115.98	314.51	1.81	-114.17
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000505871	0	42	-2.0	-124.27	369.93	4.41	-119.86
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000505872	0	37	-2.0	-132.62	333.80	1.97	-130.65
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000505873	0	38	-3.0	-194.56	350.02	3.28	-191.28
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000505873	1	39	-2.0	-136.36	349.86	3.22	-133.14
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1O	REAL300000505874	0	33	-2.0	-116.48	323.60	2.38	-114.10
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1O	REAL300000505875	0	33	-2.0	-115.03	339.00	3.22	-111.81
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1O	REAL300000505876	0	33	-2.0	-125.55	318.67	2.74	-122.81
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1O	REAL300000505877	0	35	-2.0	-121.47	333.76	2.86	-118.61
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)=C1O	REAL300000505878	0	38	-2.0	-122.55	349.25	3.63	-118.92
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CS2)=C1O	REAL300000505879	0	30	-2.0	-122.47	297.46	1.19	-121.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000505880	0	37	-2.0	-122.29	335.02	1.49	-120.80
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1O	REAL300000505881	0	35	-2.0	-135.16	326.63	3.60	-131.56
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2)=C1O	REAL300000505882	0	36	-2.0	-125.22	326.94	2.86	-122.36
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000505883	0	40	-2.0	-121.84	356.89	2.41	-119.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1O	REAL300000505884	0	33	-2.0	-119.23	317.44	2.32	-116.91
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1O	REAL300000505885	0	33	-2.0	-121.27	311.94	2.26	-119.01
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1O	REAL300000505886	0	33	-2.0	-114.11	318.35	2.32	-111.79
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)=C1O	REAL300000505887	0	45	-2.0	-125.50	369.05	4.87	-120.63
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1O	REAL300000505888	0	39	-2.0	-124.62	350.02	1.35	-123.27
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C=C2C)=C1O	REAL300000505889	0	42	-2.0	-124.78	357.09	4.53	-120.25
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)=C1O	REAL300000505890	0	48	-2.0	-128.22	397.23	5.28	-122.94
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1O	REAL300000505891	0	33	-2.0	-117.49	322.27	2.71	-114.78
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1O	REAL300000505892	0	35	-2.0	-111.15	333.77	2.86	-108.29
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1O	REAL300000505893	0	33	-2.0	-125.21	305.53	2.19	-123.02
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2)=C1O	REAL300000505894	0	40	-2.0	-130.70	361.88	1.07	-129.63
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)S2)=C1O	REAL300000505895	0	33	-2.0	-123.70	319.36	1.99	-121.71
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1O	REAL300000505896	0	41	-3.0	-199.20	367.10	4.08	-195.12
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1O	REAL300000505896	1	42	-2.0	-136.54	367.47	4.10	-132.44
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000505897	0	37	-2.0	-124.52	350.53	2.50	-122.02
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1O	REAL300000505898	0	35	-3.0	-192.81	339.48	2.81	-190.00
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1O	REAL300000505899	0	30	-2.0	-115.12	328.38	2.34	-112.78
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CCC(C)C)C=C2)=C1O	REAL300000505900	0	48	-2.0	-124.16	409.00	5.70	-118.46
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=C1O	REAL300000505901	0	38	-2.0	-117.98	343.78	3.45	-114.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1O	REAL300000505902	0	33	-2.0	-123.81	317.44	2.32	-121.49
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1O	REAL300000505903	0	41	-3.0	-177.57	377.57	4.34	-173.23
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1O	REAL300000505903	1	42	-2.0	-105.78	377.66	4.29	-101.49
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000505904	0	43	-2.0	-130.40	382.18	1.89	-128.51
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1O	REAL300000505905	0	37	-2.0	-118.78	341.28	-0.99	-119.77
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(SC)C=C2)=C1O	REAL300000505906	0	37	-2.0	-122.17	345.73	3.21	-118.96
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1O	REAL300000505907	0	38	-2.0	-120.42	347.56	0.64	-119.78
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=C1O	REAL300000505908	0	41	-2.0	-121.79	365.37	1.38	-120.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)=C1O	REAL300000505909	0	38	-2.0	-120.89	353.81	2.37	-118.52
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1O	REAL300000505910	0	32	-3.0	-186.25	327.18	1.76	-184.49
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1O	REAL300000505911	0	36	-2.0	-117.93	337.27	-0.31	-118.24
COC(=O)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000505912	0	35	-2.0	-117.33	324.21	0.76	-116.57
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1O	REAL300000505913	0	38	-3.0	-197.19	349.44	3.53	-193.66
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1O	REAL300000505913	1	39	-2.0	-134.89	350.43	3.56	-131.33
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)=C1O	REAL300000505914	0	39	-2.0	-121.75	343.15	1.26	-120.49
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)=C1O	REAL300000505915	0	41	-2.0	-122.11	366.97	4.19	-117.92
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000505916	0	39	-2.0	-118.67	360.30	2.85	-115.82
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000505917	0	40	-2.0	-123.20	361.97	0.47	-122.73
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000505918	0	42	-2.0	-135.52	377.80	3.90	-131.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=C1O	REAL300000505919	0	37	-2.0	-123.08	340.04	-1.03	-124.11
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000505920	0	39	-2.0	-124.65	348.44	3.63	-121.02
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1O	REAL300000505921	0	39	-2.0	-127.74	351.47	4.47	-123.27
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=CS1	REAL300000505922	0	36	-2.0	-133.95	345.12	2.51	-131.44
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000505923	0	43	-2.0	-123.35	382.11	2.70	-120.65
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C(C)=C1	REAL300000505924	0	43	-2.0	-120.89	364.64	3.10	-117.79
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1O	REAL300000505925	0	39	-3.0	-175.99	365.08	3.03	-172.96
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1O	REAL300000505925	1	40	-2.0	-106.32	365.15	2.98	-103.34
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CC(C)C)C=C2)=C1O	REAL300000505926	0	45	-2.0	-124.71	386.70	4.87	-119.84
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1O	REAL300000505927	0	33	-2.0	-116.65	311.94	2.26	-114.39
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1O	REAL300000505928	0	33	-2.0	-129.02	311.03	2.24	-126.78
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C1O	REAL300000505929	0	38	-2.0	-119.89	347.92	2.70	-117.19
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000505930	0	39	-2.0	-137.92	358.41	0.77	-137.15
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)=C1O	REAL300000505931	0	41	-2.0	-141.62	366.89	3.46	-138.16
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000505932	0	43	-2.0	-121.28	378.39	3.21	-118.07
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)=C1O	REAL300000505933	0	36	-2.0	-125.25	340.08	3.42	-121.83
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=C1O	REAL300000505934	0	39	-2.0	-119.94	356.28	-0.58	-120.52
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)=C1O	REAL300000505935	0	41	-2.0	-120.56	368.37	2.61	-117.95
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C([N+](=O)[O-])=C1	REAL300000505936	0	39	-2.0	-129.76	356.08	2.91	-126.85
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=C1O	REAL300000505937	0	38	-2.0	-116.70	353.23	3.69	-113.01
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)=C1O	REAL300000505938	0	39	-2.0	-120.07	359.65	2.15	-117.92
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C)=C1O	REAL300000505939	0	36	-2.0	-117.10	327.42	3.03	-114.07
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=C1O	REAL300000505940	0	43	-2.0	-127.67	375.35	6.06	-121.61
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1O	REAL300000505941	0	33	-2.0	-116.37	325.07	2.82	-113.55
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2F)=C1O	REAL300000505942	0	40	-2.0	-133.61	367.39	1.13	-132.48
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1OC	REAL300000505944	0	44	-2.0	-123.51	379.71	2.15	-121.36
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1O	REAL300000505945	0	36	-3.0	-191.29	340.65	2.09	-189.20
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=C1O	REAL300000505946	0	33	-2.0	-130.64	323.01	1.75	-128.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=C1O	REAL300000505947	0	38	-2.0	-121.24	347.48	-1.66	-122.90
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1O	REAL300000505948	0	39	-3.0	-197.50	357.78	1.59	-195.91
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1O	REAL300000505948	1	40	-2.0	-136.13	359.19	1.60	-134.53
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000505949	0	44	-2.0	-123.82	390.52	1.69	-122.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1Cl	REAL300000505950	0	37	-2.0	-119.81	351.05	2.05	-117.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1F	REAL300000505951	0	37	-2.0	-119.44	341.25	1.56	-117.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1C	REAL300000505952	0	40	-2.0	-123.26	355.10	2.23	-121.03
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1C	REAL300000505953	0	43	-2.0	-123.05	376.97	3.16	-119.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)=C1O	REAL300000505954	0	40	-2.0	-118.36	356.13	-0.36	-118.72
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1C(N)=O	REAL300000505955	0	41	-2.0	-119.51	367.35	-0.43	-119.94
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2)=C1O	REAL300000505956	0	33	-2.0	-119.66	310.08	-0.11	-119.77
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)=C1O	REAL300000505957	0	38	-2.0	-111.61	349.25	3.62	-107.99
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CC=C2)=C1O	REAL300000505958	1	39	-2.0	-121.23	350.16	3.75	-117.48
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CN1C	REAL300000505959	0	41	-2.0	-121.78	369.42	-0.16	-121.94
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)=C1O	REAL300000505960	0	36	-2.0	-121.96	337.76	3.48	-118.48
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OCC(C)C)C=C2)=C1O	REAL300000505961	0	46	-2.0	-121.42	398.49	3.91	-117.51
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C1O	REAL300000505962	0	40	-2.0	-115.85	365.05	2.61	-113.24
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(OC)C(C)=C2)=C1O	REAL300000505963	0	43	-2.0	-122.93	379.12	3.07	-119.86
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1O	REAL300000505964	0	35	-3.0	-180.42	343.11	2.43	-177.99
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=C1O	REAL300000505965	0	34	-2.0	-112.20	341.74	2.99	-109.21
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=C1O	REAL300000505966	0	34	-2.0	-112.83	341.74	3.00	-109.83
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1O	REAL300000505967	0	41	-3.0	-199.17	365.45	4.07	-195.10
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1O	REAL300000505967	1	42	-2.0	-135.76	366.44	4.11	-131.65
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C1O	REAL300000505968	0	37	-2.0	-129.32	343.90	2.56	-126.76
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)=C1O	REAL300000505969	0	36	-2.0	-121.83	341.00	3.30	-118.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1O	REAL300000505970	0	33	-2.0	-124.61	327.20	2.75	-121.86
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)C(C)=C2)=C1O	REAL300000505971	0	46	-2.0	-123.10	394.87	3.78	-119.32
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000505972	0	39	-2.0	-117.68	362.00	2.65	-115.03
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=C1O	REAL300000505973	0	36	-2.0	-121.62	332.26	2.90	-118.72
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)=C1O	REAL300000505974	0	36	-2.0	-118.01	337.75	3.47	-114.54
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=C1O	REAL300000505975	0	36	-2.0	-129.50	332.45	2.92	-126.58
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C)=C1O	REAL300000505976	0	36	-2.0	-122.23	327.43	3.03	-119.20
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C1O	REAL300000505977	0	39	-2.0	-123.24	365.59	4.26	-118.98
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=C1O	REAL300000505978	0	38	-2.0	-137.50	343.93	4.54	-132.96
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)=C1O	REAL300000505979	0	43	-2.0	-135.32	378.08	2.01	-133.31
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)=C1O	REAL300000505980	0	41	-2.0	-142.23	366.80	3.47	-138.76
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1O	REAL300000505981	0	32	-3.0	-188.46	325.65	1.78	-186.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1C(=O)[O-]	REAL300000505982	0	39	-3.0	-200.44	361.28	2.82	-197.62
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1C(=O)[O-]	REAL300000505982	1	40	-2.0	-104.04	361.20	2.76	-101.28
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)=C1O	REAL300000505983	0	41	-2.0	-125.33	355.64	3.56	-121.77
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CC=C1O	REAL300000505984	0	40	-2.0	-119.47	369.13	0.88	-118.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1O	REAL300000505985	0	35	-2.0	-128.16	333.02	3.68	-124.48
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1O	REAL300000505986	0	43	-2.0	-124.87	379.73	5.60	-119.27
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1O	REAL300000505987	0	35	-2.0	-130.33	338.93	3.55	-126.78
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000505988	0	42	-2.0	-133.75	385.56	0.70	-133.05
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C(C)=C1	REAL300000505989	0	40	-2.0	-122.62	350.50	2.26	-120.36
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1C	REAL300000505990	0	43	-2.0	-124.45	370.15	3.00	-121.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2O)=C1O	REAL300000505991	0	37	-2.0	-128.76	336.73	0.54	-128.22
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2)=C1O	REAL300000505992	0	30	-2.0	-116.70	287.12	-1.42	-118.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000505993	0	41	-3.0	-196.24	364.12	4.48	-191.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000505993	1	42	-2.0	-134.45	368.02	4.41	-130.04
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1O	REAL300000505994	0	36	-2.0	-126.33	345.06	3.08	-123.25
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)S1	REAL300000505995	0	36	-2.0	-116.12	353.41	1.95	-114.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])=C1O	REAL300000505996	0	41	-2.0	-134.76	365.75	4.81	-129.95
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C1O	REAL300000505997	0	37	-2.0	-114.93	343.35	2.56	-112.37
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1O	REAL300000505998	0	33	-2.0	-121.57	320.45	2.52	-119.05
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1O	REAL300000505999	0	35	-3.0	-185.64	337.01	1.88	-183.76
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1O	REAL300000506000	0	36	-2.0	-145.72	333.73	1.39	-144.33
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506001	0	39	-2.0	-130.08	365.80	2.90	-127.18
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506002	0	43	-2.0	-134.60	377.06	3.56	-131.04
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1O	REAL300000506003	0	38	-2.0	-134.16	353.87	2.36	-131.80
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1O	REAL300000506004	0	35	-2.0	-141.01	331.56	3.80	-137.21
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1O	REAL300000506005	0	39	-3.0	-193.96	362.99	1.83	-192.13
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1O	REAL300000506006	0	40	-2.0	-121.03	366.10	3.30	-117.73
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1O	REAL300000506007	0	32	-2.0	-113.81	306.94	0.46	-113.35
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506008	0	36	-2.0	-122.40	353.59	1.85	-120.55
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506009	0	41	-2.0	-121.58	363.97	4.58	-117.00
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=C1O	REAL300000506010	0	38	-2.0	-126.16	341.70	2.61	-123.55
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1O	REAL300000506011	0	32	-2.0	-113.70	330.69	1.31	-112.39
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C=N2)=C1O	REAL300000506012	0	33	-2.0	-131.45	309.55	1.27	-130.18
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C(C)=C1	REAL300000506013	0	43	-2.0	-122.29	372.35	3.18	-119.11
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)=C1O	REAL300000506014	0	41	-2.0	-116.78	371.85	1.91	-114.87
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)=C1O	REAL300000506015	0	37	-2.0	-111.68	345.29	-0.83	-112.51
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=C1O	REAL300000506016	0	33	-2.0	-111.29	321.48	0.70	-110.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=C1O	REAL300000506017	0	42	-2.0	-126.47	387.09	5.03	-121.44
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1O	REAL300000506018	0	33	-2.0	-125.33	317.31	2.31	-123.02
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C(F)=C1	REAL300000506019	0	37	-2.0	-127.41	343.53	1.77	-125.64
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1O	REAL300000506020	0	38	-3.0	-185.48	354.71	3.56	-181.92
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1O	REAL300000506020	1	39	-2.0	-129.40	352.59	3.13	-126.27
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1O	REAL300000506021	0	39	-2.0	-130.71	348.67	1.83	-128.88
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(C)=N2)=C1O	REAL300000506022	0	36	-2.0	-133.68	329.07	1.07	-132.61
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1O	REAL300000506023	0	37	-2.0	-127.27	343.55	2.23	-125.04
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506024	0	42	-2.0	-127.80	382.19	3.77	-124.03
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=N1	REAL300000506025	0	36	-2.0	-119.88	331.62	0.75	-119.13
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506026	0	40	-2.0	-127.31	360.60	1.91	-125.40
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506027	0	39	-2.0	-133.01	357.12	3.64	-129.37
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1O	REAL300000506028	0	38	-2.0	-122.80	341.51	1.49	-121.31
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1O	REAL300000506029	0	33	-2.0	-120.70	325.07	2.82	-117.88
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOCC(F)(F)F)=C1O	REAL300000506030	0	36	-2.0	-114.88	343.86	0.43	-114.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OC(C)CC3=C2)=C1O	REAL300000506031	0	41	-2.0	-123.04	362.45	2.78	-120.26
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=C1O	REAL300000506032	0	37	-2.0	-116.19	349.83	-0.96	-117.15
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2C)=C1O	REAL300000506033	0	33	-2.0	-117.69	305.93	-0.76	-118.45
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506034	0	37	-2.0	-126.96	335.03	1.49	-125.47
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C)=C1O	REAL300000506035	0	36	-2.0	-125.57	321.02	2.96	-122.61
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=NN(C)C=C2)=C1O	REAL300000506036	0	33	-2.0	-129.70	310.38	-0.28	-129.98
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C)=C1O	REAL300000506037	0	33	-2.0	-114.26	305.78	-0.17	-114.43
COCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506038	0	33	-2.0	-116.20	302.43	-1.00	-117.20
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2CCCO2)=C1O	REAL300000506039	0	37	-2.0	-127.98	324.89	0.41	-127.57
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2CCCCO2)=C1O	REAL300000506040	0	40	-2.0	-126.21	342.39	1.48	-124.73
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2F)=C1O	REAL300000506043	0	36	-2.0	-128.51	332.45	2.92	-125.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)=C1O	REAL300000506044	0	36	-2.0	-117.28	332.26	2.89	-114.39
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC=N2)=C1O	REAL300000506045	0	30	-2.0	-130.04	286.84	-0.42	-130.46
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)O1	REAL300000506046	0	36	-2.0	-115.81	345.08	0.97	-114.84
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1O	REAL300000506047	0	38	-2.0	-141.75	345.47	2.82	-138.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1O	REAL300000506048	0	33	-2.0	-114.45	323.75	2.36	-112.09
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1O	REAL300000506049	0	35	-3.0	-191.62	342.62	2.64	-188.98
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1C	REAL300000506050	0	42	-2.0	-125.75	369.87	3.51	-122.24
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506051	0	37	-2.0	-126.50	348.14	2.05	-124.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)=C1O	REAL300000506052	0	35	-2.0	-114.28	336.19	1.41	-112.87
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506053	0	39	-2.0	-132.40	363.70	-0.23	-132.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C(C)=C1C	REAL300000506054	0	43	-2.0	-123.76	366.87	2.89	-120.87
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000506055	0	42	-2.0	-130.60	382.50	3.64	-126.96
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)=C1O	REAL300000506057	0	45	-2.0	-121.74	383.64	2.83	-118.91
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CS2)=C1O	REAL300000506058	0	33	-2.0	-123.76	313.77	2.01	-121.75
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1C	REAL300000506059	0	42	-2.0	-121.51	364.97	2.13	-119.38
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1C	REAL300000506060	0	42	-2.0	-118.90	376.33	3.38	-115.52
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)=C1O	REAL300000506061	0	38	-2.0	-111.88	349.75	3.37	-108.51
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=C1O	REAL300000506064	0	41	-2.0	-137.50	365.12	0.64	-136.86
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)=C1O	REAL300000506065	0	37	-2.0	-121.69	341.78	3.36	-118.33
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(NC(C)=O)=C2)=C1O	REAL300000506066	0	40	-2.0	-130.93	366.71	1.20	-129.73
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)=C1O	REAL300000506067	0	45	-2.0	-123.97	357.77	4.88	-119.09
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(NC(C)=O)=C2)=C1O	REAL300000506068	0	43	-2.0	-143.51	380.41	1.98	-141.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2OC)=C1O	REAL300000506069	0	37	-2.0	-125.98	343.18	2.65	-123.33
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)=C1O	REAL300000506070	0	37	-2.0	-116.41	341.78	3.34	-113.07
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506071	0	45	-2.0	-123.57	367.41	5.64	-117.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=C1O	REAL300000506073	0	34	-2.0	-118.56	331.84	2.64	-115.92
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)=C1O	REAL300000506074	0	38	-2.0	-120.86	349.18	-0.15	-121.01
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=C1O	REAL300000506075	0	39	-2.0	-120.02	350.30	1.27	-118.75
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1O	REAL300000506076	0	38	-2.0	-124.75	346.51	2.57	-122.18
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=N1	REAL300000506077	0	39	-2.0	-125.50	364.91	0.96	-124.54
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=C1O	REAL300000506078	0	39	-2.0	-129.49	349.50	0.62	-128.87
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])=C1O	REAL300000506079	0	36	-2.0	-123.41	347.37	4.00	-119.41
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000506082	0	44	-2.0	-117.92	388.13	1.82	-116.10
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1O	REAL300000506083	0	33	-2.0	-107.26	324.53	2.37	-104.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=C1O	REAL300000506084	0	44	-2.0	-121.37	388.16	4.03	-117.34
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOC(C)C)=C1O	REAL300000506085	0	39	-2.0	-117.01	344.56	0.71	-116.30
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CN1C	REAL300000506086	0	40	-2.0	-126.75	366.70	2.29	-124.46
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000506087	0	48	-2.0	-124.23	395.98	4.98	-119.25
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1O	REAL300000506088	0	35	-3.0	-175.59	338.51	2.79	-172.80
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1O	REAL300000506088	1	36	-2.0	-110.94	338.37	2.73	-108.21
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(N(C)C(C)=O)C=C2)=C1O	REAL300000506089	0	43	-2.0	-130.18	383.78	2.84	-127.34
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)=C1O	REAL300000506090	0	39	-2.0	-118.15	352.58	3.53	-114.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1O	REAL300000506091	0	32	-3.0	-178.93	326.26	1.87	-177.06
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=C1O	REAL300000506092	0	42	-2.0	-131.80	370.09	3.44	-128.36
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1O	REAL300000506093	0	35	-3.0	-182.28	340.40	2.81	-179.47
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1O	REAL300000506094	0	38	-3.0	-194.54	359.75	3.44	-191.10
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CN1	REAL300000506095	0	37	-2.0	-123.03	348.93	0.53	-122.50
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1O	REAL300000506096	0	35	-3.0	-176.78	339.46	2.82	-173.96
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C)=C1O	REAL300000506097	0	36	-2.0	-120.47	325.92	3.00	-117.47
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CC=C1C	REAL300000506098	0	42	-2.0	-121.43	376.35	3.37	-118.06
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CS1	REAL300000506099	0	36	-2.0	-122.22	352.81	1.86	-120.36
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CC=C1F	REAL300000506100	0	39	-2.0	-115.06	364.86	2.87	-112.19
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N=C(C)S2)=C1O	REAL300000506101	0	35	-2.0	-119.54	329.81	0.79	-118.75
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=C1O	REAL300000506102	0	37	-2.0	-130.62	347.79	3.36	-127.26
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)=C1O	REAL300000506103	0	41	-2.0	-109.78	363.41	4.48	-105.30
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(O)C(NC(C)=O)=C2)=C1O	REAL300000506104	0	41	-2.0	-137.49	371.67	-1.65	-139.14
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506105	0	39	-2.0	-126.56	348.43	3.62	-122.94
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)=C1O	REAL300000506106	0	36	-2.0	-121.28	333.35	2.91	-118.37
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC(C)(C)C)=C1O	REAL300000506107	1	41	-2.0	-121.04	345.49	2.42	-118.62
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506108	0	39	-2.0	-117.22	363.43	1.64	-115.58
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=C1O	REAL300000506109	0	39	-2.0	-119.46	356.91	1.24	-118.22
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)=C1O	REAL300000506110	0	44	-2.0	-122.83	382.97	3.44	-119.39
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)=C1O	REAL300000506111	0	36	-2.0	-119.51	337.75	2.94	-116.57
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1O	REAL300000506112	0	39	-2.0	-134.18	346.58	4.50	-129.68
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1O	REAL300000506113	0	35	-2.0	-120.69	337.53	1.67	-119.02
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1O	REAL300000506114	0	36	-3.0	-196.22	343.72	0.45	-195.77
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1O	REAL300000506115	0	43	-2.0	-129.92	360.86	4.82	-125.10
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1O	REAL300000506116	0	38	-3.0	-183.84	356.18	3.53	-180.31
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1O	REAL300000506116	1	39	-2.0	-108.75	356.26	3.48	-105.27
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)O1	REAL300000506117	0	39	-2.0	-115.96	366.94	1.89	-114.07
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1O	REAL300000506118	0	35	-2.0	-111.79	340.16	2.93	-108.86
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(C)=O)=CC=C2Cl)=C1O	REAL300000506119	0	38	-2.0	-134.81	359.09	3.15	-131.66
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)=C1O	REAL300000506120	0	36	-2.0	-128.72	348.31	2.89	-125.83
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)SC=C1	REAL300000506122	0	34	-2.0	-134.11	327.70	0.48	-133.63
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)=C1O	REAL300000506123	0	39	-2.0	-121.68	362.29	3.29	-118.39
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1O	REAL300000506124	0	36	-2.0	-124.96	335.30	2.58	-122.38
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)=C1O	REAL300000506125	0	41	-2.0	-143.67	367.05	3.42	-140.25
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506126	0	35	-2.0	-127.13	338.78	0.95	-126.18
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])=C1O	REAL300000506127	0	41	-2.0	-133.58	369.68	4.13	-129.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=C1O	REAL300000506128	0	33	-2.0	-111.67	321.58	1.09	-110.58
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=C1O	REAL300000506129	0	33	-2.0	-125.48	325.88	1.00	-124.48
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CC(OC)=C1	REAL300000506130	0	41	-2.0	-127.26	364.53	0.80	-126.46
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1O	REAL300000506131	0	34	-2.0	-127.22	321.38	0.92	-126.30
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C=CC(C)=C2C)=C1O	REAL300000506132	0	41	-2.0	-136.66	355.84	5.01	-131.65
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=C1O	REAL300000506133	0	34	-2.0	-114.38	327.76	0.02	-114.36
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(C)S2)=C1O	REAL300000506134	0	32	-2.0	-119.31	314.07	0.01	-119.30
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1O	REAL300000506135	0	38	-3.0	-188.03	344.04	3.40	-184.63
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1O	REAL300000506135	1	39	-2.0	-98.82	344.92	3.41	-95.41
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506136	0	40	-2.0	-119.13	357.91	-0.77	-119.90
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000506137	0	38	-3.0	-190.13	358.83	3.40	-186.73
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000506137	1	39	-2.0	-136.48	358.79	3.34	-133.14
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1O	REAL300000506138	0	38	-3.0	-178.07	349.41	3.53	-174.54
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1O	REAL300000506138	1	39	-2.0	-109.20	350.40	3.56	-105.64
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506139	0	39	-2.0	-127.90	364.49	3.30	-124.60
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)=C1O	REAL300000506140	0	34	-2.0	-120.70	334.83	2.86	-117.84
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)=C1O	REAL300000506141	0	36	-2.0	-123.57	337.73	2.96	-120.61
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CC=C1[N+](=O)[O-]	REAL300000506142	0	39	-2.0	-111.37	361.06	2.93	-108.44
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000506143	0	41	-3.0	-196.91	366.88	3.82	-193.09
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000506143	1	42	-2.0	-99.71	366.52	3.74	-95.97
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1O	REAL300000506144	0	36	-2.0	-120.41	350.87	3.68	-116.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1CC	REAL300000506145	0	45	-2.0	-126.67	382.60	4.76	-121.91
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2CC2)=C1O	REAL300000506146	1	36	-2.0	-120.30	321.87	2.28	-118.02
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1O	REAL300000506147	0	32	-2.0	-119.88	324.50	1.63	-118.25
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=C1O	REAL300000506148	0	39	-2.0	-130.67	350.98	2.57	-128.10
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=N1	REAL300000506149	0	38	-2.0	-113.79	356.28	1.02	-112.77
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1O	REAL300000506150	0	32	-2.0	-111.93	330.98	1.38	-110.55
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1O	REAL300000506151	0	41	-3.0	-192.93	367.53	4.16	-188.77
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1O	REAL300000506151	1	42	-2.0	-102.22	368.84	4.16	-98.06
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1O	REAL300000506152	0	38	-3.0	-194.59	355.47	3.35	-191.24
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1O	REAL300000506153	0	38	-3.0	-196.94	359.03	3.44	-193.50
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506154	0	41	-2.0	-135.76	368.63	3.46	-132.30
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=N1	REAL300000506155	0	40	-2.0	-117.98	365.29	-0.21	-118.19
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C([N+](=O)[O-])=N1	REAL300000506156	0	38	-2.0	-125.91	355.85	3.03	-122.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1C(=O)[O-]	REAL300000506157	0	41	-3.0	-195.57	368.29	3.94	-191.63
CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1C(=O)[O-]	REAL300000506157	1	42	-2.0	-136.96	368.22	3.88	-133.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1O	REAL300000506158	0	44	-2.0	-120.32	382.69	0.72	-119.60
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)=C1O	REAL300000506161	0	37	-2.0	-132.06	342.77	2.98	-129.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)=C1O	REAL300000506162	0	38	-3.0	-179.05	354.47	2.67	-176.38
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)=C1O	REAL300000506162	1	39	-2.0	-120.29	352.50	2.26	-118.03
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=C1O	REAL300000506163	0	42	-2.0	-123.92	378.53	3.83	-120.09
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506164	0	39	-2.0	-130.83	352.86	2.94	-127.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1O	REAL300000506165	0	41	-2.0	-118.35	363.57	-0.07	-118.42
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=C1O	REAL300000506166	0	36	-2.0	-129.95	331.35	2.89	-127.06
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=N1	REAL300000506167	0	39	-2.0	-116.05	354.57	-0.20	-116.25
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1O	REAL300000506168	0	40	-2.0	-133.42	351.48	2.21	-131.21
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000506169	0	40	-2.0	-124.58	360.61	1.92	-122.66
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506170	0	38	-2.0	-129.52	344.81	-0.84	-130.36
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)=C1O	REAL300000506171	0	36	-2.0	-126.51	337.40	3.32	-123.19
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)OC(C)=C2)=C1O	REAL300000506173	0	36	-2.0	-122.54	328.49	1.77	-120.77
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=C1O	REAL300000506174	0	39	-2.0	-128.20	351.80	-0.14	-128.34
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=C1O	REAL300000506175	0	41	-2.0	-124.20	359.25	2.82	-121.38
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506176	0	40	-2.0	-123.59	352.15	2.22	-121.37
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C(C(=O)OC)O1	REAL300000506177	0	42	-2.0	-118.60	382.52	2.60	-116.00
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)C=C2)=C1O	REAL300000506178	0	43	-2.0	-122.02	374.81	3.04	-118.98
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)O2)=C1O	REAL300000506179	0	33	-2.0	-122.53	310.13	1.00	-121.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(C)S2)=C1O	REAL300000506180	0	36	-2.0	-124.67	337.76	2.55	-122.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1O	REAL300000506181	0	36	-2.0	-120.19	331.59	0.85	-119.34
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=C1O	REAL300000506182	0	41	-2.0	-141.93	359.35	4.00	-137.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1O	REAL300000506183	0	39	-2.0	-135.98	354.81	4.19	-131.79
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506184	0	39	-2.0	-127.82	357.17	3.65	-124.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1O	REAL300000506185	0	35	-2.0	-108.50	338.27	2.88	-105.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1O	REAL300000506186	0	33	-2.0	-114.54	328.69	2.78	-111.76
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C(C)O1	REAL300000506187	0	39	-2.0	-118.45	363.41	1.75	-116.70
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1O	REAL300000506188	0	32	-2.0	-114.04	317.28	0.88	-113.16
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)N=C1C	REAL300000506189	0	39	-2.0	-132.91	351.15	1.97	-130.94
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)=C1O	REAL300000506190	0	36	-2.0	-126.09	340.08	3.42	-122.67
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1C(=O)[O-]	REAL300000506191	0	39	-3.0	-192.83	362.02	2.96	-189.87
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506192	0	36	-2.0	-120.73	345.42	0.92	-119.81
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506193	0	45	-2.0	-123.07	385.02	2.74	-120.33
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CN1C	REAL300000506194	0	43	-2.0	-126.26	388.57	3.21	-123.05
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)=C1O	REAL300000506195	0	41	-2.0	-117.55	365.22	4.13	-113.42
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1O	REAL300000506196	0	33	-2.0	-129.20	321.59	2.97	-126.23
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)=C1O	REAL300000506197	0	35	-2.0	-121.67	335.43	1.50	-120.17
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506198	0	38	-2.0	-122.59	354.58	2.38	-120.21
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)S1	REAL300000506199	0	35	-2.0	-119.03	335.55	0.77	-118.26
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(OC)=C3O)C=C12	REAL300000506200	0	40	-2.0	-111.57	366.77	-0.11	-111.68
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)S2)=C1O	REAL300000506201	0	35	-2.0	-117.80	343.66	2.52	-115.28
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)=C1O	REAL300000506202	1	43	-2.0	-129.40	388.18	-1.21	-130.61
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CN=C1Cl	REAL300000506203	0	36	-2.0	-111.95	346.38	0.14	-111.81
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1O	REAL300000506204	0	35	-2.0	-111.40	341.04	1.49	-109.91
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506205	0	39	-2.0	-120.24	366.74	2.91	-117.33
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)=C1O	REAL300000506206	0	48	-2.0	-122.17	398.35	3.20	-118.97
COC1=CC=C(S(=O)(=O)[N-]C2=C(O)C(OC)=CC(C(=O)[O-])=C2)C(C)=C1F	REAL300000506207	0	40	-2.0	-118.90	355.63	2.29	-116.61
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=C1O	REAL300000506208	0	34	-2.0	-115.63	339.42	3.14	-112.49
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1O	REAL300000506209	0	36	-2.0	-133.70	333.47	2.50	-131.20
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506210	0	38	-2.0	-119.36	355.49	1.04	-118.32
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1O	REAL300000506211	0	30	-2.0	-116.08	309.92	0.91	-115.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)=C1O	REAL300000506212	0	41	-2.0	-123.72	365.23	4.15	-119.57
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C=C2OC)=C1O	REAL300000506213	0	43	-2.0	-132.20	369.08	3.94	-128.26
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1O	REAL300000506214	0	33	-2.0	-120.52	326.61	2.58	-117.94
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2CCCOC2)=C1O	REAL300000506215	0	40	-2.0	-123.83	338.69	0.97	-122.86
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(N(C)C)C=C2)=C1O	REAL300000506216	0	41	-2.0	-127.04	358.05	2.61	-124.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CS2)=C1O	REAL300000506217	0	36	-2.0	-119.96	340.39	2.84	-117.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)=C1O	REAL300000506218	0	33	-2.0	-116.53	334.53	2.41	-114.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1O	REAL300000506219	0	36	-2.0	-124.03	337.72	3.05	-120.98
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1O	REAL300000506220	0	36	-2.0	-118.73	344.61	1.03	-117.70
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2SC)=C1O	REAL300000506221	0	37	-2.0	-131.97	341.62	3.25	-128.72
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)C)=C1O	REAL300000506222	0	42	-2.0	-128.88	359.53	4.18	-124.70
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CC=C1F	REAL300000506223	0	37	-2.0	-115.94	341.25	1.56	-114.38
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1O	REAL300000506224	0	32	-2.0	-129.19	318.23	2.60	-126.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CO2)=C1O	REAL300000506225	0	30	-2.0	-121.42	288.22	0.18	-121.24
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=NN2C)=C1O	REAL300000506226	0	32	-2.0	-109.01	299.95	-1.39	-110.40
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=C1O	REAL300000506227	0	38	-2.0	-117.25	349.89	1.32	-115.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1O	REAL300000506228	0	32	-2.0	-113.82	326.70	1.95	-111.87
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OCC2)=C1O	REAL300000506229	0	42	-2.0	-125.65	367.59	3.62	-122.03
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000506230	0	41	-2.0	-125.61	372.71	0.41	-125.20
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1O	REAL300000506231	0	37	-2.0	-126.11	333.66	1.63	-124.48
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=C1O	REAL300000506232	0	34	-2.0	-120.44	339.42	3.15	-117.29
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1O	REAL300000506233	0	36	-2.0	-119.41	349.49	1.25	-118.16
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506234	0	39	-2.0	-124.47	335.75	3.92	-120.55
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=C(O)C(OC)=CC(C(=O)[O-])=C1	REAL300000506235	0	41	-2.0	-139.45	359.51	2.70	-136.75
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCCCCl)=C1O	REAL300000506236	1	35	-2.0	-118.44	328.90	2.12	-116.32
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2F)=C1O	REAL300000506237	0	36	-2.0	-129.79	325.13	3.16	-126.63
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1O	REAL300000506238	0	37	-2.0	-136.93	343.94	2.26	-134.67
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N(CC3CC3)N=C2C)=C1O	REAL300000506239	0	46	-2.0	-121.85	395.75	3.65	-118.20
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)=C1O	REAL300000506240	0	41	-2.0	-141.45	363.43	3.37	-138.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC(C)(C)C#N)=C1O	REAL300000506241	1	39	-2.0	-121.52	344.77	2.03	-119.49
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1O	REAL300000506242	0	34	-2.0	-130.39	330.31	0.49	-129.90
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506243	0	36	-2.0	-119.97	330.11	-0.34	-120.31
COCCOCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506244	0	47	-2.0	-121.49	413.39	-0.44	-121.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=C(C=C2C)OCO3)=C1O	REAL300000506245	0	39	-2.0	-121.16	347.03	1.62	-119.54
CCCC(CC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506246	1	41	-2.0	-124.53	344.60	2.94	-121.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2OC)=C1O	REAL300000506247	0	39	-2.0	-120.33	355.79	3.39	-116.94
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)=C1O	REAL300000506248	0	43	-2.0	-123.57	375.40	1.98	-121.59
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506249	0	42	-2.0	-138.76	372.64	4.50	-134.26
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2=CC=CC(Cl)=C2)=C1O	REAL300000506250	1	36	-2.0	-121.16	345.40	3.48	-117.68
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(NC(C)=O)S2)=C1O	REAL300000506251	0	36	-2.0	-126.43	350.49	-0.33	-126.76
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)=C1O	REAL300000506251	1	35	-3.0	-185.64	347.20	-1.46	-187.10
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C(F)=C2)=C1O	REAL300000506252	0	40	-2.0	-123.60	366.72	1.21	-122.39
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=C1O	REAL300000506253	0	37	-2.0	-125.30	336.67	3.59	-121.71
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=C1O	REAL300000506254	0	37	-2.0	-130.79	347.77	3.36	-127.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1O	REAL300000506255	0	33	-2.0	-117.20	335.40	3.26	-113.94
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(F)C=C2C)=C1O	REAL300000506256	0	39	-2.0	-116.32	342.20	3.97	-112.35
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)ON=C2N)=C1O	REAL300000506257	0	34	-2.0	-111.55	313.07	-0.44	-111.99
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506258	0	37	-2.0	-128.53	350.52	2.50	-126.03
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1O	REAL300000506259	0	34	-2.0	-118.05	333.03	0.96	-117.09
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2CC3=CC=CC=C3C2)=C1O	REAL300000506260	1	46	-2.0	-121.67	393.66	5.55	-116.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)=C1O	REAL300000506261	0	44	-2.0	-125.08	386.79	2.98	-122.10
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506262	0	40	-2.0	-127.80	350.51	2.26	-125.54
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CCCCC2)=C1O	REAL300000506263	1	37	-2.0	-123.37	320.90	2.48	-120.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=C1O	REAL300000506264	0	31	-2.0	-113.59	318.07	1.74	-111.85
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2)=C1O	REAL300000506265	0	35	-2.0	-120.63	322.14	1.01	-119.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1O	REAL300000506266	0	38	-2.0	-123.03	346.72	2.55	-120.48
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C(F)=C1	REAL300000506267	0	39	-2.0	-121.08	365.79	2.92	-118.16
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1F	REAL300000506268	0	39	-2.0	-116.43	364.85	2.87	-113.56
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)=C1O	REAL300000506269	0	37	-2.0	-115.73	345.50	3.08	-112.65
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1O	REAL300000506270	0	32	-2.0	-107.62	323.27	0.87	-106.75
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(C)OC)=C1O	REAL300000506271	0	36	-2.0	-123.37	321.09	0.17	-123.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C(F)=C1	REAL300000506272	0	37	-2.0	-125.10	340.52	1.55	-123.55
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])=C1O	REAL300000506273	0	41	-2.0	-138.34	366.48	5.52	-132.82
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1O	REAL300000506274	0	39	-2.0	-123.27	351.24	2.70	-120.57
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1O	REAL300000506275	0	36	-2.0	-121.15	337.73	3.06	-118.09
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1O	REAL300000506276	0	43	-2.0	-130.01	379.73	5.60	-124.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=NN2C)=C1O	REAL300000506278	0	36	-2.0	-115.30	322.40	0.65	-114.65
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CC(Cl)=C2)=C1O	REAL300000506279	1	39	-2.0	-119.78	366.90	4.25	-115.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=C1O	REAL300000506280	0	31	-2.0	-113.46	309.48	0.72	-112.74
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC=C2)=C1O	REAL300000506281	0	30	-2.0	-120.38	296.64	1.09	-119.29
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=COC=C2)=C1O	REAL300000506282	0	30	-2.0	-120.38	288.07	0.07	-120.31
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506283	0	44	-2.0	-134.58	388.86	1.70	-132.88
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1O	REAL300000506284	0	38	-3.0	-179.27	354.05	3.39	-175.88
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1O	REAL300000506284	1	39	-2.0	-104.14	350.43	3.27	-100.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=N1	REAL300000506285	0	36	-2.0	-116.12	332.71	-1.12	-117.24
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1O	REAL300000506286	0	33	-2.0	-123.67	327.77	2.77	-120.90
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCCOCC2=CC=CC=C2)=C1O	REAL300000506287	1	46	-2.0	-123.13	405.69	3.80	-119.33
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506288	0	44	-2.0	-126.28	384.12	3.33	-122.95
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506289	0	42	-2.0	-126.46	383.06	4.96	-121.50
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)=C1O	REAL300000506290	0	42	-2.0	-126.18	378.89	4.67	-121.51
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C32)=C1O	REAL300000506291	0	36	-2.0	-126.20	342.05	3.55	-122.65
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)N(C)N=C1	REAL300000506292	0	42	-2.0	-122.72	376.61	2.19	-120.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=C1O	REAL300000506293	0	44	-2.0	-137.74	383.26	3.41	-134.33
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1O	REAL300000506294	0	36	-2.0	-129.15	332.14	0.82	-128.33
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506295	0	40	-2.0	-127.04	356.89	2.41	-124.63
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1O	REAL300000506296	0	33	-2.0	-124.95	327.87	3.04	-121.91
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506297	0	39	-2.0	-149.89	349.93	-0.22	-150.11
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)=C1O	REAL300000506298	0	42	-2.0	-127.35	372.83	5.12	-122.23
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1O	REAL300000506299	0	30	-2.0	-124.13	313.52	1.64	-122.49
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CS2)=C1O	REAL300000506300	0	33	-2.0	-122.60	319.10	1.85	-120.75
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1O	REAL300000506301	0	30	-2.0	-116.74	303.82	-1.01	-117.75
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1O	REAL300000506302	0	32	-2.0	-115.51	312.43	0.29	-115.22
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=C1O	REAL300000506303	0	42	-2.0	-117.68	370.08	1.24	-116.44
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=C1O	REAL300000506304	0	42	-2.0	-116.62	374.71	0.73	-115.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C1O	REAL300000506305	0	41	-2.0	-121.95	366.07	3.16	-118.79
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1O	REAL300000506306	0	36	-2.0	-118.62	341.72	2.65	-115.97
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506307	0	38	-2.0	-132.50	346.63	1.79	-130.71
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=NS2)=C1O	REAL300000506308	0	32	-2.0	-115.02	314.03	0.48	-114.54
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC(=O)S2)=C1O	REAL300000506309	0	30	-2.0	-113.36	302.37	-1.93	-115.29
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1O	REAL300000506310	0	37	-2.0	-151.06	336.68	-0.53	-151.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1O	REAL300000506311	0	40	-2.0	-124.26	354.76	4.29	-119.97
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1O	REAL300000506312	0	30	-2.0	-127.29	303.82	1.23	-126.06
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=C1O	REAL300000506313	0	36	-2.0	-120.40	344.18	1.04	-119.36
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1O	REAL300000506314	0	42	-2.0	-123.13	370.38	3.78	-119.35
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=C1O	REAL300000506315	0	34	-2.0	-112.12	332.24	2.62	-109.50
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(OC)C2=CC=CC=C2)=C1O	REAL300000506316	0	43	-2.0	-124.19	381.32	2.89	-121.30
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1O	REAL300000506317	0	38	-3.0	-192.96	353.95	3.56	-189.40
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1O	REAL300000506317	1	39	-2.0	-138.79	351.96	3.13	-135.66
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1O	REAL300000506318	0	34	-2.0	-119.44	338.42	1.47	-117.97
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)CC1	REAL300000506319	0	37	-2.0	-127.88	327.08	1.22	-126.66
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)N=S(C)(C)=O)=C1O	REAL300000506320	0	33	-2.0	-148.51	310.89	-1.88	-150.39
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1O	REAL300000506321	0	33	-2.0	-113.97	338.12	2.38	-111.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=NC=CN2)=C1O	REAL300000506322	0	30	-2.0	-123.61	287.16	-1.24	-124.85
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1O	REAL300000506323	0	38	-2.0	-129.26	342.53	-0.90	-130.16
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(C)S2)=C1O	REAL300000506324	0	36	-2.0	-124.98	335.65	2.82	-122.16
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CN=C1C	REAL300000506325	0	41	-2.0	-114.56	371.78	1.53	-113.03
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1O	REAL300000506326	0	34	-2.0	-111.52	328.91	1.04	-110.48
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)=C1O	REAL300000506327	0	35	-2.0	-113.21	333.10	1.56	-111.65
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506328	0	42	-2.0	-132.10	382.49	3.63	-128.47
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1O	REAL300000506329	0	35	-2.0	-112.65	345.29	2.06	-110.59
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)CC1	REAL300000506332	0	42	-2.0	-133.51	372.12	3.56	-129.95
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2)=C1O	REAL300000506333	0	36	-2.0	-122.35	326.20	0.41	-121.94
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000506334	0	37	-2.0	-124.99	336.62	3.28	-121.71
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C)=C1O	REAL300000506335	0	36	-2.0	-120.80	328.92	0.54	-120.26
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=C1O	REAL300000506336	0	33	-2.0	-113.07	321.36	0.79	-112.28
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506337	0	41	-2.0	-117.82	353.82	2.16	-115.66
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=C1O	REAL300000506338	0	38	-2.0	-120.50	351.98	-0.62	-121.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCCCF)=C1O	REAL300000506339	1	35	-2.0	-118.54	318.34	1.63	-116.91
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1O	REAL300000506340	0	33	-2.0	-117.22	321.18	-0.28	-117.50
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1O	REAL300000506341	0	39	-2.0	-114.93	351.83	2.12	-112.81
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)CCCC1	REAL300000506342	0	45	-2.0	-131.16	378.86	3.31	-127.85
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1O	REAL300000506343	0	40	-2.0	-130.11	361.52	1.94	-128.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=C1O	REAL300000506344	0	36	-2.0	-119.29	342.77	-0.24	-119.53
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CC=C1Cl	REAL300000506345	0	37	-2.0	-116.90	351.06	2.05	-114.85
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)=C1O	REAL300000506346	0	37	-2.0	-133.74	357.12	-1.17	-134.91
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1O	REAL300000506347	0	35	-3.0	-195.99	337.64	2.77	-193.22
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1O	REAL300000506348	0	30	-2.0	-126.35	304.89	0.18	-126.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1O	REAL300000506349	0	35	-2.0	-135.50	336.73	1.60	-133.90
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1O	REAL300000506350	0	38	-2.0	-127.30	341.34	2.03	-125.27
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=C1O	REAL300000506351	0	40	-2.0	-124.44	355.61	4.37	-120.07
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1O	REAL300000506352	0	39	-2.0	-132.32	356.05	4.49	-127.83
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)=C1O	REAL300000506353	0	36	-2.0	-125.53	332.66	3.69	-121.84
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1O	REAL300000506354	0	38	-2.0	-135.18	341.84	2.00	-133.18
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O)OC	REAL300000506355	0	39	-2.0	-123.13	339.31	0.51	-122.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(CC2=CC=CC=C2)OC)=C1O	REAL300000506356	0	46	-2.0	-124.84	394.23	3.62	-121.22
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(CC(C)C)OC)=C1O	REAL300000506357	0	45	-2.0	-123.53	375.87	1.77	-121.76
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOCC2CC2)=C1O	REAL300000506358	0	40	-2.0	-116.71	355.95	1.55	-115.16
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=C(Cl)C=C2)=C1O	REAL300000506359	1	39	-2.0	-118.22	366.90	4.27	-113.95
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)=C1O	REAL300000506360	0	36	-2.0	-131.86	335.45	3.13	-128.73
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1O	REAL300000506361	0	32	-2.0	-114.43	330.58	1.38	-113.05
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=C1O	REAL300000506362	0	38	-2.0	-121.98	349.39	0.64	-121.34
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000506363	0	38	-3.0	-185.10	355.16	3.32	-181.78
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000506363	1	39	-2.0	-98.10	358.95	3.36	-94.74
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(OC)C2CC2)=C1O	REAL300000506364	0	40	-2.0	-126.39	346.78	1.99	-124.40
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506365	0	37	-2.0	-128.77	340.20	2.04	-126.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1[N+](=O)[O-]	REAL300000506366	0	41	-2.0	-121.20	367.99	4.03	-117.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(OC)C2CCOCC2)=C1O	REAL300000506367	0	47	-2.0	-118.94	386.73	0.68	-118.26
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(OC)C(Cl)=C2)=C1O	REAL300000506368	0	36	-2.0	-112.64	348.79	-0.59	-113.23
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CON=C2C)=C1O	REAL300000506369	0	32	-2.0	-112.15	302.49	0.13	-112.02
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)=C1O	REAL300000506370	0	36	-2.0	-118.42	341.00	3.29	-115.13
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1O	REAL300000506371	0	39	-2.0	-133.38	353.63	3.17	-130.21
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC(C)=C2)=C1O	REAL300000506372	0	35	-2.0	-129.13	340.12	3.38	-125.75
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)N=S(C)(=O)N(C)C)=C1O	REAL300000506373	0	38	-2.0	-137.53	347.06	-1.87	-139.40
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1O	REAL300000506374	0	36	-2.0	-117.81	347.53	0.37	-117.44
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1O	REAL300000506375	0	32	-2.0	-124.76	306.04	0.36	-124.40
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2CCCCC2)=C1O	REAL300000506376	1	45	-2.0	-120.87	370.95	3.92	-116.95
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2CCCC2)=C1O	REAL300000506377	1	42	-2.0	-120.91	354.46	3.34	-117.57
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1O	REAL300000506378	0	32	-2.0	-112.47	306.95	0.34	-112.13
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOCC2CCC2)=C1O	REAL300000506379	0	43	-2.0	-116.91	372.53	2.09	-114.82
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=C1O	REAL300000506380	0	31	-2.0	-126.05	315.96	1.59	-124.46
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(OC)C(C)C)=C1O	REAL300000506382	0	42	-2.0	-123.22	354.70	1.14	-122.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1O	REAL300000506383	0	33	-2.0	-113.80	328.13	2.76	-111.04
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1O	REAL300000506384	0	42	-2.0	-129.97	367.23	2.53	-127.44
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1O	REAL300000506385	0	41	-2.0	-135.46	357.72	3.39	-132.07
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=COC(C(=O)N(C)C)=C2C)=C1O	REAL300000506386	0	43	-2.0	-121.27	378.31	1.16	-120.11
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=C(F)C=C2)=C1O	REAL300000506388	1	39	-2.0	-118.37	356.57	3.82	-114.55
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CC=C2F)=C1O	REAL300000506389	1	39	-2.0	-124.30	355.73	3.78	-120.52
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CC=C2Cl)=C1O	REAL300000506390	1	39	-2.0	-123.20	362.84	4.12	-119.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)=C1O	REAL300000506392	0	40	-2.0	-135.78	361.46	-0.37	-136.15
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)=C1O	REAL300000506393	0	36	-2.0	-123.49	333.95	-1.13	-124.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2(OC(C)C)CCOC2)=C1O	REAL300000506394	0	47	-2.0	-126.50	381.82	1.10	-125.40
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)N(C)N=C1	REAL300000506395	0	39	-2.0	-122.36	354.77	1.26	-121.10
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(OC)C2=CC=C(F)C=C2)=C1O	REAL300000506396	0	43	-2.0	-132.11	375.40	3.53	-128.58
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O)C1CC1	REAL300000506397	0	43	-2.0	-124.29	368.96	2.53	-121.76
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(C)N2C)=C1O	REAL300000506398	0	36	-2.0	-119.53	324.69	1.23	-118.30
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506399	0	46	-2.0	-127.66	395.57	3.85	-123.81
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(OC)C2CCCC2)=C1O	REAL300000506400	0	46	-2.0	-122.62	379.37	2.90	-119.72
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(OC)C2CCCCC2)=C1O	REAL300000506401	0	49	-2.0	-121.46	395.80	3.06	-118.40
CCC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=CN1CC1CC1	REAL300000506402	0	46	-2.0	-133.17	404.41	4.13	-129.04
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)O1	REAL300000506403	0	39	-2.0	-116.51	362.98	1.56	-114.95
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1O	REAL300000506404	0	36	-2.0	-119.79	345.28	1.68	-118.11
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)=C1O	REAL300000506405	0	41	-2.0	-118.15	369.21	4.52	-113.63
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=C1O	REAL300000506406	0	36	-2.0	-107.27	346.13	0.85	-106.42
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1O	REAL300000506407	0	32	-2.0	-116.45	322.89	0.78	-115.67
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1O	REAL300000506408	0	43	-2.0	-136.87	371.64	5.59	-131.28
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=C(F)C=CC=C2F)=C1O	REAL300000506409	0	39	-2.0	-126.72	360.79	3.79	-122.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)=C1O	REAL300000506410	0	36	-2.0	-125.18	337.62	2.97	-122.21
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)OC=C1	REAL300000506411	0	36	-2.0	-130.89	337.67	1.64	-129.25
CCC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C(C)C=C1OC	REAL300000506412	0	46	-2.0	-124.87	391.77	3.75	-121.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1O	REAL300000506413	0	35	-2.0	-135.75	332.61	1.17	-134.58
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C(C)=N1	REAL300000506414	0	45	-2.0	-120.54	393.45	2.95	-117.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1O	REAL300000506415	0	34	-3.0	-190.77	330.21	0.86	-189.91
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)=C1O	REAL300000506416	0	37	-2.0	-124.05	338.32	2.33	-121.72
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=C1O	REAL300000506417	0	45	-2.0	-121.04	383.76	4.44	-116.60
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=C1O	REAL300000506418	0	34	-2.0	-113.78	332.72	2.66	-111.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=C1O	REAL300000506419	0	36	-2.0	-117.06	338.68	0.81	-116.25
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1O	REAL300000506420	0	35	-2.0	-119.91	328.81	1.23	-118.68
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1O	REAL300000506420	1	35	-2.0	-135.50	328.70	1.37	-134.13
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C32)=C1O	REAL300000506421	0	37	-2.0	-130.97	339.28	2.14	-128.83
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=C1O	REAL300000506422	0	43	-2.0	-119.50	366.54	2.30	-117.20
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=C1O	REAL300000506423	0	45	-2.0	-120.00	373.91	2.80	-117.20
CCC(C)(C)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506424	1	44	-2.0	-121.32	359.71	2.92	-118.40
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1O	REAL300000506425	0	43	-2.0	-120.09	372.94	2.53	-117.56
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)=C1O	REAL300000506426	0	36	-2.0	-112.57	339.83	1.08	-111.49
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2CC2C2=CC=CC(F)=C2)=C1O	REAL300000506427	0	40	-2.0	-121.68	362.01	4.43	-117.25
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1O	REAL300000506428	0	34	-2.0	-123.87	321.72	-0.06	-123.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])=C1O	REAL300000506428	1	33	-3.0	-208.62	318.16	0.81	-207.81
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000506429	0	43	-2.0	-124.21	382.75	4.97	-119.24
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506430	0	36	-2.0	-137.47	336.54	-0.15	-137.62
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506431	0	39	-2.0	-121.05	348.39	1.34	-119.71
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)=C1O	REAL300000506432	0	38	-2.0	-122.05	352.83	2.75	-119.30
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C1O	REAL300000506433	0	33	-2.0	-114.49	310.75	-0.47	-114.96
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2C#N)=C1O	REAL300000506434	0	37	-2.0	-129.88	345.07	3.15	-126.73
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)=C1O	REAL300000506435	0	37	-2.0	-132.14	337.04	3.41	-128.73
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1O	REAL300000506436	0	36	-2.0	-116.53	342.21	3.09	-113.44
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C=CC2=CC=CC(Cl)=C2)=C1O	REAL300000506437	1	37	-2.0	-119.54	354.17	3.89	-115.65
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=C1O	REAL300000506438	0	40	-2.0	-127.71	369.29	4.15	-123.56
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)=C1O	REAL300000506439	0	39	-2.0	-117.31	352.53	4.40	-112.91
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506440	0	33	-2.0	-111.95	324.78	-2.01	-113.96
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2CCCC(C)(C)O2)=C1O	REAL300000506441	0	46	-2.0	-128.83	377.59	2.41	-126.42
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NS2)=C1O	REAL300000506442	0	29	-2.0	-114.73	292.28	-0.11	-114.84
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC(C)(C)C2CC2)=C1O	REAL300000506443	1	45	-2.0	-121.56	369.19	3.68	-117.88
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C=CC2=CC=CC=C2Cl)=C1O	REAL300000506444	1	37	-2.0	-124.13	351.69	3.79	-120.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506445	0	39	-3.0	-183.10	362.20	2.54	-180.56
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)=C1O	REAL300000506446	0	37	-2.0	-123.00	345.05	-2.21	-125.21
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506447	0	42	-2.0	-125.32	357.27	4.70	-120.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1O	REAL300000506448	0	33	-2.0	-129.83	320.26	2.31	-127.52
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CC(F)=C2)=C1O	REAL300000506449	1	39	-2.0	-120.09	356.58	3.81	-116.28
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1O	REAL300000506450	0	32	-3.0	-178.17	334.11	1.72	-176.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1O	REAL300000506451	0	38	-2.0	-132.81	341.78	2.70	-130.11
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506452	0	40	-2.0	-123.46	366.95	2.38	-121.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C1O	REAL300000506453	0	34	-2.0	-124.70	331.34	2.61	-122.09
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=N2)=C1O	REAL300000506454	0	32	-2.0	-124.33	304.33	-1.49	-125.82
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1O	REAL300000506455	0	40	-2.0	-120.12	355.44	1.86	-118.26
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1O	REAL300000506456	0	40	-2.0	-117.28	352.83	2.07	-115.21
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1O	REAL300000506457	0	43	-2.0	-117.54	374.94	2.79	-114.75
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=C1O	REAL300000506458	0	44	-2.0	-129.50	380.58	0.19	-129.31
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=C1O	REAL300000506459	0	39	-2.0	-120.88	356.25	-0.58	-121.46
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1O	REAL300000506460	0	30	-2.0	-119.98	306.20	0.91	-119.07
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(OC)C(F)=C2)=C1O	REAL300000506461	0	37	-2.0	-111.54	351.41	1.74	-109.80
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1O	REAL300000506462	0	40	-2.0	-122.86	348.45	2.25	-120.61
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1F	REAL300000506463	0	37	-2.0	-121.14	346.74	1.62	-119.52
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)=C1O	REAL300000506464	0	43	-2.0	-130.37	379.99	3.58	-126.79
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)SC=C2C)=C1O	REAL300000506465	0	36	-2.0	-119.73	328.43	2.88	-116.85
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=C1O	REAL300000506466	0	41	-2.0	-136.37	362.97	2.78	-133.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=C1O	REAL300000506467	0	41	-2.0	-120.08	374.21	1.84	-118.24
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=C1O	REAL300000506468	0	41	-2.0	-125.76	373.73	4.41	-121.35
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CC(F)=C2OC)=C1O	REAL300000506469	0	37	-2.0	-126.07	342.00	2.84	-123.23
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1O	REAL300000506470	0	30	-2.0	-120.54	310.96	1.62	-118.92
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1O	REAL300000506471	0	35	-2.0	-112.89	339.43	1.34	-111.55
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)=C1O	REAL300000506472	0	38	-2.0	-138.09	346.22	1.80	-136.29
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506473	0	35	-2.0	-108.61	320.76	-0.48	-109.09
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1O	REAL300000506475	0	34	-2.0	-111.59	320.41	0.97	-110.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1O	REAL300000506476	0	36	-2.0	-125.74	344.37	3.61	-122.13
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1O	REAL300000506477	0	36	-2.0	-138.61	350.45	1.89	-136.72
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=C1O	REAL300000506478	0	40	-2.0	-115.77	357.47	1.90	-113.87
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)=C1O	REAL300000506479	0	42	-2.0	-121.36	361.44	4.56	-116.80
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)=C1O	REAL300000506480	0	41	-2.0	-129.48	361.33	2.11	-127.37
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C32)=C1O	REAL300000506481	0	36	-2.0	-125.51	335.31	2.47	-123.04
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)=C1O	REAL300000506482	0	46	-2.0	-124.87	394.29	3.09	-121.78
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=C1O	REAL300000506483	0	40	-2.0	-123.95	360.80	2.11	-121.84
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1O	REAL300000506484	0	37	-2.0	-123.10	344.79	1.77	-121.33
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1O	REAL300000506485	0	36	-2.0	-132.03	334.97	1.39	-130.64
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=C1O	REAL300000506486	0	38	-2.0	-140.86	350.08	0.58	-140.28
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=C1O	REAL300000506487	0	40	-2.0	-125.91	346.21	4.15	-121.76
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)=C1O	REAL300000506488	0	37	-2.0	-122.97	333.55	-0.11	-123.08
COC1=NSC=C1S(=O)(=O)[N-]C1=C(O)C(OC)=CC(C(=O)[O-])=C1	REAL300000506489	0	33	-2.0	-119.65	322.83	-1.95	-121.60
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)NC=N2)=C1O	REAL300000506490	0	33	-2.0	-130.69	304.64	0.29	-130.40
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1O	REAL300000506492	0	36	-2.0	-121.79	339.25	2.57	-119.22
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=C1O	REAL300000506493	0	43	-2.0	-124.24	377.07	2.60	-121.64
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1O	REAL300000506494	0	30	-2.0	-120.44	311.34	1.73	-118.71
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1O	REAL300000506495	0	43	-2.0	-120.75	379.53	2.82	-117.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1O	REAL300000506496	0	37	-2.0	-129.26	342.56	3.36	-125.90
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506497	0	42	-2.0	-126.61	369.93	4.40	-122.21
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506498	0	39	-2.0	-112.68	361.81	0.53	-112.15
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=C1O	REAL300000506499	0	34	-2.0	-125.62	330.03	2.54	-123.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=C1O	REAL300000506500	0	40	-2.0	-120.39	351.25	1.71	-118.68
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C)=C1O	REAL300000506502	0	39	-2.0	-124.69	335.67	3.87	-120.82
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=C1O	REAL300000506503	0	42	-2.0	-114.42	352.57	2.10	-112.32
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=C1O	REAL300000506504	0	42	-2.0	-121.32	370.03	1.90	-119.42
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1O	REAL300000506505	0	40	-2.0	-120.93	354.12	1.27	-119.66
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=C1O	REAL300000506506	0	44	-2.0	-120.32	379.80	3.00	-117.32
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1O	REAL300000506507	0	36	-2.0	-124.15	333.53	3.01	-121.14
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1O	REAL300000506508	0	33	-2.0	-122.14	327.10	2.56	-119.58
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1O	REAL300000506509	0	33	-2.0	-114.81	337.28	2.29	-112.52
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=NN2C)=C1O	REAL300000506510	0	36	-2.0	-114.71	326.71	0.46	-114.25
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C)=C1O	REAL300000506512	0	39	-2.0	-126.38	338.03	3.49	-122.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1O	REAL300000506513	0	36	-2.0	-134.62	326.54	3.48	-131.14
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506514	0	44	-2.0	-135.25	390.11	4.22	-131.03
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3CCC2)=C1O	REAL300000506515	1	44	-2.0	-127.52	375.16	5.22	-122.30
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(COC(C)=O)C=C2)=C1O	REAL300000506516	0	42	-2.0	-124.24	383.97	3.84	-120.40
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=C1O	REAL300000506517	0	34	-2.0	-121.45	338.17	3.04	-118.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1O	REAL300000506518	0	33	-2.0	-122.55	325.53	2.43	-120.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1O	REAL300000506519	0	40	-2.0	-126.47	354.75	4.29	-122.18
COC1=C(S(=O)(=O)[N-]C2=C(O)C(OC)=CC(C(=O)[O-])=C2)C=CS1	REAL300000506520	0	34	-2.0	-128.61	327.80	0.62	-127.99
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1O	REAL300000506521	0	40	-2.0	-127.02	360.25	4.35	-122.67
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1O	REAL300000506522	0	43	-2.0	-118.16	370.35	2.79	-115.37
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506523	0	42	-2.0	-117.18	365.50	2.09	-115.09
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000506524	0	42	-2.0	-130.78	376.74	-0.30	-131.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=C1O	REAL300000506526	0	38	-2.0	-133.45	349.14	0.55	-132.90
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)O1	REAL300000506527	0	36	-2.0	-122.66	331.62	1.79	-120.87
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1O	REAL300000506528	0	33	-2.0	-114.31	329.39	1.41	-112.90
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506529	0	37	-2.0	-120.16	346.49	2.09	-118.07
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=C1O	REAL300000506530	0	39	-2.0	-123.79	358.75	3.71	-120.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1O	REAL300000506531	0	37	-2.0	-123.42	344.80	1.77	-121.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)S1	REAL300000506532	0	34	-2.0	-120.24	329.33	0.64	-119.60
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1O	REAL300000506534	0	36	-2.0	-117.14	338.21	0.88	-116.26
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506535	0	43	-2.0	-127.62	382.46	2.88	-124.74
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1O	REAL300000506536	0	46	-2.0	-119.72	391.93	3.13	-116.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1O	REAL300000506537	0	36	-2.0	-128.36	326.10	3.15	-125.21
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN32)=C1O	REAL300000506538	0	36	-2.0	-127.55	332.54	2.54	-125.01
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1O	REAL300000506539	0	35	-2.0	-125.42	336.48	1.57	-123.85
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=N1	REAL300000506540	0	35	-2.0	-119.57	326.25	-0.94	-120.51
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1Cl	REAL300000506541	0	36	-2.0	-118.05	347.21	1.11	-116.94
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1O	REAL300000506542	0	30	-2.0	-115.62	305.28	0.80	-114.82
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)=C1O	REAL300000506543	0	42	-2.0	-134.94	364.30	5.03	-129.91
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=C1O	REAL300000506544	0	40	-2.0	-123.79	363.47	2.56	-121.23
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1O	REAL300000506545	0	33	-2.0	-116.46	333.05	2.80	-113.66
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C=CC2=CC=C(F)C=C2)=C1O	REAL300000506546	1	37	-2.0	-118.26	343.85	3.43	-114.83
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1O	REAL300000506547	0	37	-2.0	-123.96	349.36	3.50	-120.46
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)=C1O	REAL300000506548	0	36	-2.0	-112.28	350.98	3.00	-109.28
COC1=CC=C(C=C(C)S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1	REAL300000506549	1	44	-2.0	-122.35	383.17	3.29	-119.06
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CO2)=C1O	REAL300000506550	0	33	-2.0	-121.82	310.12	0.85	-120.97
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=NN1	REAL300000506551	0	39	-2.0	-120.36	365.90	-0.02	-120.38
COC1=CSC(S(=O)(=O)[N-]C2=C(O)C(OC)=CC(C(=O)[O-])=C2)=C1OC	REAL300000506552	0	38	-2.0	-126.32	358.49	0.20	-126.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1O	REAL300000506553	0	32	-2.0	-107.28	323.16	0.82	-106.46
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=C1O	REAL300000506554	0	39	-2.0	-120.04	348.94	2.18	-117.86
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=C1O	REAL300000506555	0	40	-2.0	-131.41	359.26	3.95	-127.46
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1O	REAL300000506556	0	30	-2.0	-111.44	330.60	2.29	-109.15
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=C1O	REAL300000506557	0	33	-2.0	-117.56	325.39	0.23	-117.33
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=C1O	REAL300000506558	0	39	-2.0	-137.59	343.39	4.02	-133.57
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C1O	REAL300000506559	0	31	-2.0	-124.56	309.69	0.63	-123.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)=C1O	REAL300000506560	0	35	-2.0	-114.43	333.28	1.58	-112.85
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506561	0	44	-2.0	-127.95	389.20	3.81	-124.14
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C(C2CC2)=N1	REAL300000506562	0	43	-2.0	-124.21	382.34	2.97	-121.24
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)=C1O	REAL300000506563	0	37	-2.0	-132.00	343.55	1.55	-130.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)NC(=O)NC2=O)=C1O	REAL300000506564	0	36	-2.0	-122.42	328.60	-2.09	-124.51
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=NN2C2CCCC2)=C1O	REAL300000506566	0	46	-2.0	-121.22	393.43	3.34	-117.88
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1O	REAL300000506567	0	30	-2.0	-119.21	304.30	0.69	-118.52
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1O	REAL300000506568	0	30	-2.0	-117.04	314.34	1.70	-115.34
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=C1O	REAL300000506569	0	41	-2.0	-116.30	357.85	-0.07	-116.37
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1O	REAL300000506570	0	40	-2.0	-129.91	349.09	4.36	-125.55
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C(C)=N1	REAL300000506573	0	39	-2.0	-116.41	348.39	-0.38	-116.79
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)=C1O	REAL300000506574	0	39	-2.0	-128.09	352.95	0.01	-128.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2OC)=C1O	REAL300000506575	0	36	-2.0	-121.54	348.25	-0.15	-121.69
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)=C1O	REAL300000506576	0	39	-2.0	-117.35	352.85	-0.40	-117.75
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=C1O	REAL300000506577	0	42	-2.0	-120.08	368.48	2.32	-117.76
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)=C1O	REAL300000506578	0	42	-2.0	-121.36	369.11	1.92	-119.44
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1O	REAL300000506579	0	32	-2.0	-119.62	332.88	0.16	-119.46
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C1O	REAL300000506580	0	31	-2.0	-121.51	308.49	0.60	-120.91
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C1O	REAL300000506581	0	31	-2.0	-128.90	317.59	1.52	-127.38
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C(C)C)=C1O	REAL300000506582	0	39	-2.0	-116.25	347.26	1.46	-114.79
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C1C	REAL300000506583	0	41	-2.0	-114.45	372.31	1.55	-112.90
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])=C1O	REAL300000506584	0	36	-2.0	-128.37	347.41	3.98	-124.39
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1O	REAL300000506585	0	40	-2.0	-115.83	357.75	2.30	-113.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1O	REAL300000506586	0	40	-2.0	-121.35	359.25	3.33	-118.02
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)=C1	REAL300000506587	0	36	-2.0	-119.08	336.60	-1.46	-120.54
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)=C1O	REAL300000506588	0	42	-2.0	-123.08	370.02	1.94	-121.14
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1O	REAL300000506589	0	40	-2.0	-132.17	365.41	4.38	-127.79
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1O	REAL300000506590	0	35	-2.0	-117.49	332.88	1.21	-116.28
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2CC(C(C)C)C2)=C1O	REAL300000506591	1	45	-2.0	-123.50	375.51	3.86	-119.64
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1O	REAL300000506592	0	40	-2.0	-125.23	367.04	4.43	-120.80
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1O	REAL300000506593	0	37	-2.0	-124.70	355.99	2.64	-122.06
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1O	REAL300000506594	0	34	-2.0	-124.72	316.55	-0.66	-125.38
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506595	0	42	-2.0	-129.98	372.96	3.92	-126.06
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1O	REAL300000506596	0	36	-2.0	-134.37	345.21	3.18	-131.19
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSN=C2)=C1O	REAL300000506597	0	29	-2.0	-112.98	291.19	-0.23	-113.21
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1O	REAL300000506598	0	37	-2.0	-133.22	353.43	1.45	-131.77
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1O	REAL300000506599	0	40	-2.0	-130.43	361.36	4.48	-125.95
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506600	0	38	-2.0	-131.68	346.33	1.78	-129.90
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1O	REAL300000506601	0	39	-2.0	-141.32	358.22	3.70	-137.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)=C1O	REAL300000506602	0	41	-2.0	-142.32	363.24	3.35	-138.97
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2O)C=C(C(=O)[O-])O1	REAL300000506603	0	38	-3.0	-186.24	356.11	2.73	-183.51
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)=C1O	REAL300000506604	0	46	-2.0	-135.43	395.00	4.18	-131.25
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)=C1O	REAL300000506605	0	33	-2.0	-117.27	332.08	2.57	-114.70
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CS2)=C1O	REAL300000506606	0	29	-2.0	-117.90	292.12	-0.71	-118.61
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1O	REAL300000506607	0	40	-2.0	-124.19	351.26	1.50	-122.69
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=C1O	REAL300000506608	0	36	-2.0	-129.50	332.45	2.92	-126.58
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000506609	0	35	-2.0	-113.02	326.18	5.28	-107.74
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000506610	0	35	-2.0	-102.27	321.62	5.26	-97.01
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000506611	0	35	-2.0	-113.63	321.65	5.25	-108.38
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000506612	0	39	-2.0	-117.73	349.78	4.92	-112.81
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000506613	0	39	-2.0	-100.61	353.09	6.55	-94.06
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000506614	0	38	-2.0	-117.02	337.66	5.79	-111.23
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000506615	0	35	-2.0	-109.41	334.69	5.79	-103.62
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000506616	0	35	-2.0	-111.44	334.16	5.64	-105.80
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000506617	0	41	-2.0	-116.81	354.02	6.51	-110.30
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000506618	0	35	-2.0	-111.57	327.10	5.31	-106.26
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000506619	0	41	-2.0	-99.59	365.21	6.83	-92.76
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000506620	0	32	-2.0	-109.93	314.81	4.29	-105.64
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000506621	0	38	-2.0	-112.53	337.08	5.99	-106.54
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000506622	0	39	-2.0	-99.33	352.71	5.53	-93.80
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000506623	0	36	-2.0	-112.41	328.29	4.63	-107.78
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000506624	0	39	-2.0	-114.72	345.82	4.02	-110.70
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000506625	0	35	-2.0	-105.17	330.76	4.95	-100.22
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000506626	0	41	-2.0	-114.12	352.69	6.56	-107.56
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000506627	0	32	-2.0	-109.56	313.28	4.30	-105.26
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000506628	0	39	-2.0	-119.63	348.93	5.32	-114.31
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000506629	0	44	-2.0	-114.20	374.83	7.21	-106.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1C(=O)OC	REAL300000506630	0	41	-2.0	-109.19	347.27	6.75	-102.44
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000506631	0	42	-2.0	-117.04	372.07	5.69	-111.35
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000506632	0	37	-3.0	-193.84	350.03	5.82	-188.02
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000506633	0	42	-2.0	-119.41	365.87	7.14	-112.27
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000506634	0	35	-2.0	-108.48	324.63	4.40	-104.08
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000506635	0	39	-2.0	-114.91	350.59	4.22	-110.69
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000506636	0	42	-2.0	-99.96	372.80	6.23	-93.73
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000506637	0	38	-2.0	-103.96	342.35	6.02	-97.94
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000506638	0	39	-2.0	-99.02	358.92	5.59	-93.43
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000506639	0	42	-2.0	-122.55	370.79	6.23	-116.32
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000506640	0	35	-2.0	-109.39	331.34	5.12	-104.27
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000506641	0	35	-2.0	-99.21	334.68	5.79	-93.42
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000506642	0	35	-2.0	-101.92	326.18	5.29	-96.63
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000506643	0	32	-2.0	-103.86	313.89	4.40	-99.46
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000506644	0	35	-2.0	-104.97	328.06	5.32	-99.65
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000506645	0	38	-2.0	-113.38	347.37	5.94	-107.44
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000506646	0	35	-2.0	-101.69	327.09	5.33	-96.36
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000506647	0	35	-2.0	-99.86	334.15	5.66	-94.20
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000506648	0	38	-2.0	-105.46	351.09	6.40	-99.06
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000506649	0	35	-2.0	-102.98	332.44	5.35	-97.63
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000506650	0	37	-2.0	-100.49	349.82	5.90	-94.59
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000506651	0	36	-2.0	-110.86	331.36	2.82	-108.04
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000506652	0	38	-2.0	-104.80	343.81	6.02	-98.78
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000506653	0	38	-2.0	-113.63	335.48	5.93	-107.70
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000506654	0	38	-2.0	-112.60	346.46	5.91	-106.69
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000506655	0	38	-2.0	-101.94	337.04	5.97	-95.97
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000506656	0	41	-2.0	-118.48	359.14	6.44	-112.04
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000506657	0	37	-2.0	-114.01	348.20	6.35	-107.66
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000506658	0	35	-2.0	-103.58	333.38	5.38	-98.20
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000506659	0	41	-2.0	-117.18	355.03	6.63	-110.55
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000506660	0	38	-2.0	-112.89	346.95	5.94	-106.95
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000506661	0	38	-2.0	-111.52	353.41	6.36	-105.16
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000506662	0	38	-2.0	-120.15	346.66	5.94	-114.21
CCC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000506663	0	41	-2.0	-117.88	355.61	6.43	-111.45
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000506664	0	42	-2.0	-117.69	372.12	5.37	-112.32
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000506665	0	38	-2.0	-105.54	352.16	6.46	-99.08
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000506666	0	38	-2.0	-111.55	352.85	6.20	-105.35
CCN1C=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000506667	0	39	-2.0	-113.75	349.66	5.50	-108.25
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000506668	0	38	-2.0	-108.86	355.36	6.30	-102.56
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000506669	0	38	-2.0	-102.38	337.65	5.80	-96.58
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000506670	0	38	-2.0	-110.26	341.18	6.06	-104.20
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000506671	0	37	-2.0	-123.45	345.37	6.94	-116.51
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000506672	0	35	-2.0	-121.32	325.30	5.28	-116.04
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000506673	0	38	-2.0	-107.19	346.57	5.92	-101.27
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000506674	0	34	-2.0	-112.42	317.84	3.38	-109.04
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000506675	0	39	-2.0	-105.96	349.83	4.93	-101.03
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000506676	0	32	-2.0	-102.69	321.77	4.25	-98.44
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000506677	0	42	-2.0	-107.33	367.75	7.13	-100.20
COC(=O)C1=CC=CC(O)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000506678	0	42	-2.0	-109.55	367.07	7.12	-102.43
CCC1=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000506679	0	38	-2.0	-107.15	340.04	5.15	-102.00
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1Cl	REAL300000506683	0	32	-2.0	-128.67	318.82	5.18	-123.49
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1Cl	REAL300000506687	1	32	-2.0	-116.31	332.56	5.48	-110.83
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)NN=C2C)=C1Cl	REAL300000506689	1	35	-2.0	-113.82	326.57	2.73	-111.09
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1Cl	REAL300000506691	0	35	-2.0	-103.03	338.09	5.42	-97.61
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)ON=C2C)=C1Cl	REAL300000506693	1	34	-2.0	-108.35	325.25	3.82	-104.53
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1Cl	REAL300000506694	0	35	-2.0	-97.43	338.23	5.41	-92.02
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1Cl	REAL300000506709	1	29	-2.0	-112.01	319.29	4.52	-107.49
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1Cl	REAL300000506712	0	38	-2.0	-131.00	354.05	5.94	-125.06
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1Cl	REAL300000506713	1	32	-2.0	-113.00	328.38	5.09	-107.91
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CS2)=C1Cl	REAL300000506716	1	29	-2.0	-118.39	302.25	3.90	-114.49
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1Cl	REAL300000506718	1	34	-2.0	-131.56	331.41	6.31	-125.25
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1Cl	REAL300000506721	1	32	-2.0	-115.43	322.23	5.03	-110.40
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)S2)=C1Cl	REAL300000506731	1	32	-2.0	-119.63	324.15	4.70	-114.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1Cl	REAL300000506732	1	32	-2.0	-119.71	322.23	5.03	-114.68
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1Cl	REAL300000506736	0	32	-2.0	-97.37	333.06	4.50	-92.87
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1Cl	REAL300000506736	1	31	-3.0	-181.86	331.97	4.47	-177.39
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1Cl	REAL300000506739	0	38	-2.0	-128.78	354.67	6.27	-122.51
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)=C1Cl	REAL300000506740	1	38	-2.0	-117.43	347.93	3.98	-113.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1Cl	REAL300000506750	1	32	-2.0	-125.04	315.82	4.95	-120.09
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1Cl	REAL300000506756	0	36	-2.0	-97.87	346.50	4.82	-93.05
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=C1Cl	REAL300000506757	0	32	-2.0	-126.44	327.78	4.47	-121.97
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2)=C1Cl	REAL300000506763	1	32	-2.0	-115.96	314.87	2.60	-113.36
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1Cl	REAL300000506769	1	32	-2.0	-120.93	331.98	5.47	-115.46
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=C1Cl	REAL300000506772	1	35	-2.0	-125.38	337.23	5.63	-119.75
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1Cl	REAL300000506774	0	32	-2.0	-97.19	331.20	4.51	-92.68
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C)=CC=C2[O-])=C1Cl	REAL300000506777	1	36	-2.0	-110.43	336.12	4.14	-106.29
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2)=C1Cl	REAL300000506778	1	29	-2.0	-113.08	291.90	1.29	-111.79
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1Cl	REAL300000506780	0	32	-2.0	-117.51	325.24	5.24	-112.27
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1Cl	REAL300000506781	0	35	-2.0	-127.53	340.70	4.16	-123.37
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1Cl	REAL300000506782	1	35	-2.0	-141.55	338.52	4.10	-137.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C=N2)=C1Cl	REAL300000506786	0	32	-2.0	-127.67	314.34	3.99	-123.68
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1Cl	REAL300000506790	1	32	-2.0	-121.65	322.09	5.03	-116.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(C)=N2)=C1Cl	REAL300000506792	0	35	-2.0	-129.21	333.85	3.80	-125.41
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)C=N1	REAL300000506793	1	35	-2.0	-116.28	336.40	3.46	-112.82
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2C)=C1Cl	REAL300000506799	1	32	-2.0	-113.75	310.70	1.95	-111.80
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=NN(C)C=C2)=C1Cl	REAL300000506803	0	32	-2.0	-125.33	315.33	2.43	-122.90
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C)=C1Cl	REAL300000506804	1	32	-2.0	-110.40	310.56	2.53	-107.87
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2F)=C1Cl	REAL300000506810	1	35	-2.0	-124.54	337.23	5.64	-118.90
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC=N2)=C1Cl	REAL300000506812	0	29	-2.0	-125.57	291.62	2.30	-123.27
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)O1	REAL300000506813	0	35	-2.0	-112.29	349.87	3.69	-108.60
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1Cl	REAL300000506815	1	32	-2.0	-110.57	328.49	5.09	-105.48
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CS2)=C1Cl	REAL300000506819	1	32	-2.0	-119.73	318.55	4.72	-115.01
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)=C1C	REAL300000506820	1	41	-2.0	-117.92	368.83	4.80	-113.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=C1Cl	REAL300000506828	1	33	-2.0	-114.77	336.62	5.36	-109.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=C1Cl	REAL300000506830	1	38	-2.0	-116.36	355.08	3.98	-112.38
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=C1Cl	REAL300000506833	0	38	-2.0	-125.64	354.29	3.33	-122.31
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1Cl	REAL300000506839	0	32	-2.0	-108.42	332.11	4.61	-103.81
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1Cl	REAL300000506839	1	31	-3.0	-175.59	331.05	4.58	-171.01
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=C1Cl	REAL300000506840	0	41	-2.0	-128.01	374.87	6.15	-121.86
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N=C(C)S2)=C1Cl	REAL300000506843	1	34	-2.0	-116.13	335.55	3.47	-112.66
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)=C1Cl	REAL300000506848	1	35	-2.0	-115.66	342.53	5.66	-110.00
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1Cl	REAL300000506852	0	38	-2.0	-103.39	360.35	6.20	-97.19
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)SC=C1	REAL300000506854	0	33	-2.0	-129.82	332.49	3.18	-126.64
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1Cl	REAL300000506855	0	35	-2.0	-121.09	340.08	5.29	-115.80
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=C1Cl	REAL300000506856	1	32	-2.0	-107.66	325.29	3.85	-103.81
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=C1Cl	REAL300000506857	0	32	-2.0	-121.80	330.66	3.72	-118.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1Cl	REAL300000506858	1	33	-2.0	-123.67	326.16	3.64	-120.03
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(C)S2)=C1Cl	REAL300000506860	0	31	-2.0	-115.31	318.85	2.72	-112.59
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1Cl	REAL300000506861	0	38	-2.0	-97.50	349.15	6.15	-91.35
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1Cl	REAL300000506863	0	38	-2.0	-104.74	354.62	6.27	-98.47
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)=C1Cl	REAL300000506864	1	35	-2.0	-119.44	342.51	5.67	-113.77
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=C1Cl	REAL300000506867	0	38	-2.0	-126.94	355.76	5.28	-121.66
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)C=N1	REAL300000506869	1	39	-2.0	-114.36	370.07	2.51	-111.85
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)=C1	REAL300000506872	0	38	-2.0	-127.01	357.64	5.65	-121.36
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=C1Cl	REAL300000506873	1	35	-2.0	-126.02	336.13	5.61	-120.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1Cl	REAL300000506875	0	39	-2.0	-129.55	356.27	4.92	-124.63
COC1=CC=C([O-])C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2Cl)=C1	REAL300000506877	1	37	-2.0	-109.12	344.18	2.76	-106.36
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)O2)=C1Cl	REAL300000506884	0	32	-2.0	-118.70	314.92	3.71	-114.99
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(C)S2)=C1Cl	REAL300000506885	1	35	-2.0	-120.64	342.53	5.26	-115.38
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)N=C1C	REAL300000506889	0	38	-2.0	-129.09	355.93	4.69	-124.40
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)=C1	REAL300000506891	0	35	-2.0	-116.73	350.20	3.65	-113.08
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1Cl	REAL300000506892	1	32	-2.0	-124.93	326.38	5.70	-119.23
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)=C1Cl	REAL300000506893	1	34	-2.0	-118.04	340.22	4.21	-113.83
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)S1	REAL300000506895	0	34	-2.0	-115.06	340.33	3.47	-111.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1Cl	REAL300000506896	1	35	-2.0	-129.52	338.25	5.22	-124.30
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)=C1Cl	REAL300000506901	1	32	-2.0	-112.75	339.31	5.12	-107.63
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1Cl	REAL300000506903	1	35	-2.0	-114.90	349.40	3.75	-111.15
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1Cl	REAL300000506907	0	31	-2.0	-125.49	323.02	5.30	-120.19
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CO2)=C1Cl	REAL300000506908	0	29	-2.0	-117.48	293.00	2.89	-114.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=NN2C)=C1Cl	REAL300000506909	1	31	-2.0	-105.21	304.73	1.31	-103.90
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1Cl	REAL300000506912	1	36	-2.0	-122.14	338.45	4.33	-117.81
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2F)=C1Cl	REAL300000506915	1	35	-2.0	-125.64	329.92	5.87	-119.77
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1Cl	REAL300000506918	1	33	-2.0	-126.48	335.09	3.20	-123.28
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)ON=C2N)=C1Cl	REAL300000506926	0	33	-2.0	-108.02	317.85	2.27	-105.75
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=C1Cl	REAL300000506930	1	30	-2.0	-109.80	322.84	4.45	-105.35
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=C1Cl	REAL300000506941	0	30	-2.0	-109.93	314.25	3.45	-106.48
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=COC=C2)=C1Cl	REAL300000506943	1	29	-2.0	-116.26	292.85	2.79	-113.47
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1Cl	REAL300000506944	0	38	-2.0	-100.80	354.59	5.99	-94.81
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1Cl	REAL300000506946	1	32	-2.0	-119.55	332.55	5.48	-114.07
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1Cl	REAL300000506947	0	43	-2.0	-122.14	388.90	6.05	-116.09
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1Cl	REAL300000506952	0	29	-2.0	-119.82	318.30	4.35	-115.47
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CS2)=C1Cl	REAL300000506953	1	32	-2.0	-118.54	323.89	4.56	-113.98
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1Cl	REAL300000506954	1	29	-2.0	-113.33	308.60	1.71	-111.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1Cl	REAL300000506955	1	31	-2.0	-112.12	317.22	3.02	-109.10
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1Cl	REAL300000506957	0	35	-2.0	-114.79	346.50	5.36	-109.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=NS2)=C1Cl	REAL300000506958	0	31	-2.0	-111.36	318.81	3.20	-108.16
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1Cl	REAL300000506962	0	29	-2.0	-122.90	308.60	3.94	-118.96
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC(OC)C2=CC=CC=C2)=C1Cl	REAL300000506964	1	42	-2.0	-120.31	385.08	5.99	-114.32
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=NC=CN2)=C1Cl	REAL300000506967	0	29	-2.0	-119.07	291.94	1.48	-117.59
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=NC=C[N-]2)=C1Cl	REAL300000506967	1	29	-2.0	-102.68	288.18	1.05	-101.63
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1Cl	REAL300000506968	1	37	-2.0	-125.02	347.31	1.81	-123.21
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(C)S2)=C1Cl	REAL300000506969	1	35	-2.0	-120.97	340.44	5.53	-115.44
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1Cl	REAL300000506970	1	33	-2.0	-107.41	333.70	3.76	-103.65
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2)=C1Cl	REAL300000506975	1	35	-2.0	-117.89	330.99	3.13	-114.76
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C)=C1Cl	REAL300000506977	1	35	-2.0	-116.90	333.71	3.25	-113.65
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1Cl	REAL300000506981	1	32	-2.0	-113.98	325.96	2.43	-111.55
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1Cl	REAL300000506982	1	34	-2.0	-131.25	341.52	4.33	-126.92
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)=C1Cl	REAL300000506990	0	35	-2.0	-127.55	340.23	5.85	-121.70
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1Cl	REAL300000506993	1	36	-2.0	-124.34	344.98	4.75	-119.59
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CON=C2C)=C1Cl	REAL300000506994	1	31	-2.0	-108.40	307.27	2.85	-105.55
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1Cl	REAL300000506998	1	31	-2.0	-121.11	310.83	3.08	-118.03
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=C1Cl	REAL300000507003	1	30	-2.0	-122.56	320.74	4.29	-118.27
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)=C1Cl	REAL300000507013	1	35	-2.0	-120.46	338.73	1.59	-118.87
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(C)N2C)=C1Cl	REAL300000507015	1	35	-2.0	-116.30	329.68	3.87	-112.43
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1Cl	REAL300000507017	0	35	-2.0	-115.88	350.07	4.40	-111.48
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1Cl	REAL300000507018	1	31	-2.0	-113.01	327.68	3.51	-109.50
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)=C1Cl	REAL300000507019	1	35	-2.0	-121.60	342.41	5.68	-115.92
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)OC=C1	REAL300000507020	0	35	-2.0	-126.57	342.44	4.35	-122.22
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1Cl	REAL300000507021	0	34	-2.0	-131.78	337.39	3.88	-127.90
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1Cl	REAL300000507022	0	33	-3.0	-187.40	335.00	3.58	-183.82
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1Cl	REAL300000507022	1	34	-2.0	-120.81	334.33	3.52	-117.29
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1Cl	REAL300000507029	1	42	-2.0	-116.37	377.73	5.24	-111.13
COC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1Cl	REAL300000507031	0	33	-2.0	-102.96	321.11	3.54	-99.42
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1Cl	REAL300000507033	0	35	-2.0	-133.15	341.33	2.55	-130.60
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1Cl	REAL300000507034	1	38	-2.0	-117.05	353.17	4.05	-113.00
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)=C1	REAL300000507039	0	32	-2.0	-108.20	329.57	0.70	-107.50
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NS2)=C1Cl	REAL300000507041	0	28	-2.0	-111.13	297.06	2.60	-108.53
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)=C1Cl	REAL300000507043	1	36	-2.0	-118.40	349.85	0.51	-117.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C1Cl	REAL300000507048	1	33	-2.0	-121.10	336.09	5.33	-115.77
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=N2)=C1Cl	REAL300000507049	0	31	-2.0	-119.90	309.11	1.22	-118.68
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1Cl	REAL300000507050	1	39	-2.0	-116.46	360.22	4.57	-111.89
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1Cl	REAL300000507051	1	39	-2.0	-113.43	357.61	4.77	-108.66
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1Cl	REAL300000507052	1	42	-2.0	-113.40	379.72	5.50	-107.90
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1Cl	REAL300000507053	1	39	-2.0	-120.15	354.69	4.92	-115.23
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1Cl	REAL300000507056	1	29	-2.0	-116.67	315.75	4.34	-112.33
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)=C1Cl	REAL300000507057	0	37	-2.0	-133.76	351.01	4.51	-129.25
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1Cl	REAL300000507058	1	34	-2.0	-104.84	325.55	2.24	-102.60
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1Cl	REAL300000507061	1	35	-2.0	-121.78	349.16	6.33	-115.45
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=C1Cl	REAL300000507062	1	39	-2.0	-111.94	362.26	4.62	-107.32
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C32)=C1Cl	REAL300000507063	1	35	-2.0	-121.56	340.09	5.18	-116.38
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=C1Cl	REAL300000507064	1	39	-2.0	-119.95	365.62	4.83	-115.12
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=C1Cl	REAL300000507065	1	37	-2.0	-137.17	354.86	3.30	-133.87
COC1=NSC=C1S(=O)(=O)[N-]C1=C(Cl)C(OC)=CC(C(=O)[O-])=C1	REAL300000507068	0	32	-2.0	-115.90	327.61	0.77	-115.13
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)NC=N2)=C1Cl	REAL300000507069	0	32	-2.0	-126.87	309.44	2.99	-123.88
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=C1Cl	REAL300000507072	1	42	-2.0	-120.35	381.85	5.31	-115.04
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1Cl	REAL300000507073	1	29	-2.0	-116.51	316.16	4.44	-112.07
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1Cl	REAL300000507074	1	42	-2.0	-116.65	384.29	5.55	-111.10
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1Cl	REAL300000507075	1	36	-2.0	-125.78	348.44	6.01	-119.77
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=C1Cl	REAL300000507077	1	33	-2.0	-122.06	334.84	5.24	-116.82
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=C1Cl	REAL300000507081	1	41	-2.0	-110.52	357.31	4.80	-105.72
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=C1Cl	REAL300000507082	1	41	-2.0	-117.32	374.81	4.62	-112.70
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1Cl	REAL300000507083	1	39	-2.0	-117.16	358.90	3.99	-113.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=NN2C)=C1Cl	REAL300000507086	1	35	-2.0	-111.29	332.50	3.12	-108.17
COC1=C(S(=O)(=O)[N-]C2=C(Cl)C(OC)=CC(C(=O)[O-])=C2)C=CS1	REAL300000507091	1	33	-2.0	-124.30	332.58	3.33	-120.97
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1Cl	REAL300000507092	1	39	-2.0	-123.11	365.04	7.07	-116.04
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1Cl	REAL300000507093	1	42	-2.0	-114.05	375.09	5.50	-108.55
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(OC)=C1Cl	REAL300000507094	1	41	-2.0	-113.21	370.28	4.80	-108.41
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=C1Cl	REAL300000507096	1	37	-2.0	-129.41	353.92	3.26	-126.15
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)O1	REAL300000507097	0	35	-2.0	-118.76	336.40	4.49	-114.27
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1Cl	REAL300000507098	0	32	-2.0	-110.76	334.18	4.11	-106.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)S1	REAL300000507099	1	33	-2.0	-116.27	334.10	3.35	-112.92
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1Cl	REAL300000507100	1	35	-2.0	-113.52	342.99	3.59	-109.93
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN32)=C1Cl	REAL300000507103	1	35	-2.0	-123.43	337.32	5.24	-118.19
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)=N1	REAL300000507105	0	34	-2.0	-115.82	331.03	1.76	-114.06
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)=C1Cl	REAL300000507106	1	35	-2.0	-114.10	351.99	3.82	-110.28
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1Cl	REAL300000507107	0	29	-2.0	-111.97	310.07	3.51	-108.46
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1Cl	REAL300000507109	1	36	-2.0	-119.99	354.14	6.22	-113.77
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CO2)=C1Cl	REAL300000507110	0	32	-2.0	-117.89	314.90	3.57	-114.32
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=C1Cl	REAL300000507112	1	38	-2.0	-116.14	353.72	4.90	-111.24
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=C1Cl	REAL300000507114	1	32	-2.0	-113.61	330.18	2.95	-110.66
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C1Cl	REAL300000507115	0	30	-2.0	-120.53	314.48	3.35	-117.18
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)C(C2CC2)=N1	REAL300000507117	1	42	-2.0	-120.20	387.13	5.70	-114.50
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)NC(=O)NC2=O)=C1Cl	REAL300000507118	0	35	-2.0	-119.23	333.38	0.63	-118.60
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1Cl	REAL300000507120	1	29	-2.0	-115.35	309.07	3.40	-111.95
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1Cl	REAL300000507121	1	29	-2.0	-112.92	319.13	4.41	-108.51
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)=C1Cl	REAL300000507125	1	38	-2.0	-124.08	357.73	2.70	-121.38
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=C1Cl	REAL300000507127	1	41	-2.0	-116.01	373.26	5.06	-110.95
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)=C1Cl	REAL300000507128	1	41	-2.0	-117.42	373.93	4.63	-112.79
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C1Cl	REAL300000507129	1	30	-2.0	-118.12	313.25	3.31	-114.81
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C1Cl	REAL300000507130	0	30	-2.0	-124.61	322.37	4.24	-120.37
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C(C)C)=C1Cl	REAL300000507131	1	38	-2.0	-112.34	352.05	4.17	-108.17
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1Cl	REAL300000507132	1	39	-2.0	-111.99	362.53	5.02	-106.97
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(OC)=C2Cl)=C1	REAL300000507133	1	35	-2.0	-115.30	341.38	1.25	-114.05
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)=C1Cl	REAL300000507134	1	41	-2.0	-118.67	373.41	4.70	-113.97
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSN=C2)=C1Cl	REAL300000507138	1	28	-2.0	-109.05	295.97	2.49	-106.56
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CS2)=C1Cl	REAL300000507140	0	28	-2.0	-113.95	296.90	2.01	-111.94
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1Cl	REAL300000507141	1	39	-2.0	-119.83	356.05	4.21	-115.62
COC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=C1Cl	REAL300000507142	1	35	-2.0	-125.38	337.23	5.63	-119.75
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000507143	0	38	-2.0	-91.73	348.88	0.97	-90.76
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000507144	0	31	-2.0	-107.85	296.97	2.42	-105.43
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000507145	0	39	-2.0	-107.35	352.04	3.50	-103.85
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000507146	0	31	-2.0	-103.93	308.84	3.07	-100.86
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000507147	0	35	-2.0	-113.81	320.56	2.20	-111.61
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000507148	0	31	-2.0	-105.66	308.69	2.88	-102.78
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000507149	0	35	-2.0	-97.61	323.87	3.68	-93.93
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000507150	0	34	-2.0	-111.20	308.46	2.92	-108.28
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000507151	0	31	-2.0	-104.50	305.49	2.94	-101.56
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000507152	0	31	-2.0	-106.16	304.95	2.78	-103.38
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000507153	0	31	-2.0	-100.43	317.99	3.32	-97.11
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000507153	1	30	-3.0	-199.05	314.81	2.53	-196.52
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000507154	0	37	-2.0	-111.03	324.81	3.68	-107.35
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000507155	0	31	-2.0	-105.98	297.90	2.45	-103.53
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000507156	0	37	-2.0	-96.44	335.99	3.98	-92.46
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000507157	0	34	-2.0	-109.18	307.85	3.15	-106.03
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000507158	0	35	-2.0	-96.42	323.49	2.67	-93.75
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000507159	0	42	-2.0	-93.32	369.27	3.44	-89.88
CCCC(=O)N[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000507160	0	28	-2.0	-100.45	302.63	2.16	-98.29
CCCC(=O)[N-][N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000507160	1	27	-3.0	-197.44	299.45	1.37	-196.07
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000507161	0	35	-2.0	-109.94	316.63	1.19	-108.75
CCCC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000507162	0	31	-2.0	-107.50	317.32	3.03	-104.47
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000507162	1	30	-3.0	-210.81	314.14	2.24	-208.57
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000507163	0	31	-2.0	-100.92	301.54	2.07	-98.85
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000507164	0	37	-2.0	-110.62	323.49	3.64	-106.98
CCCC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000507165	0	39	-2.0	-110.97	350.75	2.20	-108.77
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000507166	0	35	-2.0	-116.02	319.71	2.45	-113.57
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000507167	0	41	-2.0	-113.10	347.67	4.90	-108.20
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000507168	0	40	-2.0	-111.23	346.32	4.36	-106.87
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000507169	0	37	-2.0	-107.00	322.56	3.91	-103.09
CCCC(=O)N[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000507170	0	38	-2.0	-115.83	342.85	2.95	-112.88
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000507171	0	33	-3.0	-185.23	320.84	2.95	-182.28
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000507172	0	38	-2.0	-113.41	336.67	4.27	-109.14
CCCC(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000507173	0	37	-2.0	-115.14	334.60	2.16	-112.98
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000507174	0	35	-2.0	-113.22	321.32	1.49	-111.73
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000507175	0	39	-2.0	-97.56	346.05	3.01	-94.55
CCCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000507176	0	31	-2.0	-100.15	320.10	3.24	-96.91
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000507176	1	30	-3.0	-199.75	316.92	2.46	-197.29
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000507177	0	31	-2.0	-101.58	310.01	2.97	-98.61
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000507177	1	30	-3.0	-198.64	306.83	2.17	-196.47
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000507178	0	35	-2.0	-95.05	339.53	3.21	-91.84
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000507179	0	38	-2.0	-96.88	343.58	3.38	-93.50
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000507180	0	41	-2.0	-95.60	372.17	3.64	-91.96
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000507181	0	34	-2.0	-100.51	313.13	3.19	-97.32
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000507182	0	44	-2.0	-96.66	386.02	4.31	-92.35
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000507183	0	35	-2.0	-96.09	329.74	2.73	-93.36
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000507184	0	41	-2.0	-95.15	381.97	4.12	-91.03
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000507185	0	38	-2.0	-116.72	341.56	3.36	-113.36
CCCC(=O)N[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000507186	0	31	-2.0	-106.04	301.02	2.30	-103.74
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000507187	0	31	-2.0	-98.72	320.64	3.39	-95.33
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000507187	1	30	-3.0	-197.42	317.46	2.60	-194.82
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000507188	0	31	-2.0	-96.00	305.47	2.93	-93.07
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000507189	0	31	-2.0	-95.48	308.82	3.06	-92.42
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000507190	0	31	-2.0	-98.02	296.94	2.43	-95.59
CCCC(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000507191	0	31	-2.0	-101.30	298.84	2.45	-98.85
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000507192	0	34	-2.0	-107.39	318.18	3.09	-104.30
CCCC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000507193	0	35	-2.0	-100.77	332.73	2.99	-97.78
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000507194	0	31	-2.0	-97.75	297.88	2.46	-95.29
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000507195	0	31	-2.0	-95.99	304.91	2.79	-93.20
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000507196	0	34	-2.0	-102.07	321.86	3.57	-98.50
CCCC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000507197	0	34	-2.0	-101.31	323.25	3.60	-97.71
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000507198	0	39	-2.0	-94.37	356.16	3.80	-90.57
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000507199	0	31	-2.0	-95.56	308.65	2.88	-92.68
CCCC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000507200	0	31	-2.0	-99.80	303.25	2.48	-97.32
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000507200	1	30	-3.0	-196.63	300.07	1.70	-194.93
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000507201	0	33	-2.0	-95.64	320.62	3.06	-92.58
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000507202	0	32	-2.0	-107.22	302.13	0.11	-107.11
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000507202	1	31	-3.0	-204.38	298.57	0.99	-203.39
CCCC(=O)N[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000507203	0	34	-2.0	-104.10	326.32	3.45	-100.65
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000507204	0	34	-2.0	-100.46	314.59	3.17	-97.29
CCCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000507205	0	31	-2.0	-101.19	313.14	2.92	-98.27
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000507205	1	30	-3.0	-199.18	309.95	2.14	-197.04
CCCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000507206	0	34	-2.0	-107.86	302.49	3.01	-104.85
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000507207	0	34	-2.0	-102.60	325.89	3.66	-98.94
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000507208	0	34	-2.0	-109.30	317.25	3.04	-106.26
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000507209	0	34	-2.0	-98.43	307.42	3.10	-95.33
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000507210	0	37	-2.0	-114.66	329.22	3.55	-111.11
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000507211	0	33	-2.0	-109.22	318.99	3.48	-105.74
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000507212	0	31	-2.0	-98.33	304.18	2.51	-95.82
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000507212	1	30	-3.0	-198.58	300.99	1.73	-196.85
CCCC(=O)N[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000507213	0	28	-2.0	-97.47	305.00	2.05	-95.42
CCCC(=O)[N-][N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000507213	1	27	-3.0	-194.31	301.82	1.27	-193.04
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000507214	0	37	-2.0	-112.28	325.81	3.71	-108.57
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000507215	0	34	-2.0	-106.96	313.90	2.99	-103.97
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000507216	0	34	-2.0	-106.28	324.18	3.51	-102.77
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000507217	0	34	-2.0	-116.44	317.46	3.08	-113.36
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Br	REAL300000507218	0	35	-2.0	-109.61	336.09	3.13	-106.48
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000507219	0	37	-2.0	-111.82	326.70	3.57	-108.25
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000507220	0	31	-2.0	-101.08	313.36	3.10	-97.98
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000507220	1	30	-3.0	-197.46	310.18	2.31	-195.15
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000507221	0	38	-2.0	-114.32	342.89	2.52	-111.80
CCCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000507222	0	34	-2.0	-100.86	318.68	3.50	-97.36
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000507223	0	34	-2.0	-95.03	322.54	3.19	-91.84
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000507223	1	33	-3.0	-189.78	319.35	2.42	-187.36
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000507224	0	34	-2.0	-107.90	323.64	3.34	-104.56
CCCC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000507225	0	31	-2.0	-103.08	313.72	3.00	-100.08
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300000507226	0	34	-2.0	-105.87	327.00	3.63	-102.24
CCCC(=O)N[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000507227	0	35	-2.0	-110.30	320.43	2.61	-107.69
CCCC(=O)N[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000507228	0	43	-2.0	-112.49	357.57	5.26	-107.23
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000507229	0	31	-2.0	-96.97	314.52	3.11	-93.86
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000507229	1	30	-3.0	-194.34	311.34	2.33	-192.01
CCCC(=O)N[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C(C(=O)[O-])=C1	REAL300000507230	0	31	-2.0	-100.59	324.31	3.34	-97.25
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC(Br)=C(Cl)C(C(=O)[O-])=C1	REAL300000507230	1	30	-3.0	-200.62	321.13	2.56	-198.06
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000507231	0	31	-2.0	-97.26	318.02	2.94	-94.32
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000507231	1	30	-3.0	-195.18	314.84	2.16	-193.02
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000507232	0	35	-2.0	-97.43	337.12	2.69	-94.74
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000507232	1	34	-3.0	-194.27	333.94	1.91	-192.36
CCCC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000507233	0	34	-2.0	-103.59	322.30	3.35	-100.24
CCCC(=O)N[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000507234	0	40	-2.0	-106.23	342.14	4.29	-101.94
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Br	REAL300000507235	0	31	-2.0	-99.89	321.34	3.46	-96.43
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Br	REAL300000507235	1	30	-3.0	-197.71	318.15	2.68	-195.03
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000507236	0	35	-2.0	-110.10	332.74	3.00	-107.10
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000507237	0	34	-2.0	-98.46	308.43	2.93	-95.53
CCCC(=O)N[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1C	REAL300000507238	0	37	-2.0	-105.44	344.04	4.24	-101.20
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000507239	0	36	-2.0	-104.41	333.14	4.44	-99.97
CCCC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000507240	0	34	-2.0	-106.89	312.38	3.19	-103.70
CCCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000507241	0	33	-2.0	-118.66	316.15	4.24	-114.42
CCCC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000507242	0	31	-2.0	-115.64	296.08	2.42	-113.22
CCCC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000507243	0	34	-2.0	-101.94	313.60	2.96	-98.98
CCCC(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000507244	0	37	-2.0	-118.39	333.46	4.51	-113.88
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000507245	0	35	-2.0	-102.23	320.62	2.19	-100.04
CCCC(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000507246	0	28	-2.0	-97.80	292.56	1.36	-96.44
CCCC(=O)[N-][N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000507246	1	27	-3.0	-192.72	289.38	0.58	-192.14
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000507247	0	35	-2.0	-105.62	336.21	2.94	-102.68
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000507247	1	34	-3.0	-205.59	333.01	2.15	-203.44
CCCC(=O)N[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000507248	0	34	-2.0	-102.13	335.75	-0.57	-102.70
CCCC(=O)[N-][N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000507248	1	33	-3.0	-202.24	332.57	-1.36	-203.60
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000507249	0	38	-2.0	-104.51	336.40	4.21	-100.30
CCCC(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000507250	0	38	-2.0	-109.90	337.86	4.27	-105.63
CCCC(=O)N[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000507251	0	34	-2.0	-102.98	314.58	2.30	-100.68
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)C=C1	REAL300000507252	1	42	-2.0	-89.11	380.09	3.96	-85.15
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCF)C=C1	REAL300000507254	0	43	-2.0	-106.17	383.26	6.46	-99.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCF)C=C1	REAL300000507257	0	39	-2.0	-112.94	351.78	5.17	-107.77
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1	REAL300000507260	0	35	-2.0	-105.14	336.71	5.94	-99.20
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1	REAL300000507263	0	35	-2.0	-106.67	329.12	5.43	-101.24
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1	REAL300000507265	0	32	-2.0	-103.46	316.82	4.38	-99.08
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)C=C1C(=O)[O-]	REAL300000507268	1	36	-2.0	-105.91	330.29	4.72	-101.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1	REAL300000507270	0	35	-2.0	-99.33	332.77	5.06	-94.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=CS1	REAL300000507272	1	32	-2.0	-104.51	315.29	4.40	-100.11
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCF)C=C1	REAL300000507278	0	42	-2.0	-113.42	374.07	5.92	-107.50
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(OCCF)C=C2)=C1	REAL300000507279	0	38	-2.0	-113.16	354.74	5.88	-107.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)C=C(C(=O)[O-])O1	REAL300000507281	0	35	-2.0	-101.58	326.67	4.51	-97.07
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1	REAL300000507283	0	39	-2.0	-109.82	352.60	4.46	-105.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C(Cl)C=C1F	REAL300000507285	1	35	-2.0	-99.91	341.22	5.95	-93.96
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCCF)C=C1	REAL300000507287	1	38	-2.0	-99.09	344.34	6.19	-92.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)C=C(C(=O)[O-])S1	REAL300000507290	1	35	-2.0	-104.95	332.26	5.25	-99.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)C(Cl)=C1	REAL300000507291	1	35	-2.0	-94.08	336.69	5.93	-88.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)S1	REAL300000507293	0	32	-2.0	-97.02	315.90	4.49	-92.53
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1	REAL300000507294	1	35	-2.0	-100.05	330.04	5.44	-94.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1F	REAL300000507295	0	38	-2.0	-108.02	349.40	6.07	-101.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)C(F)=C1	REAL300000507296	0	35	-2.0	-95.82	329.10	5.44	-90.38
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)C=C1	REAL300000507299	1	43	-2.0	-91.86	387.38	6.78	-85.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=CC(F)=C1F	REAL300000507300	1	35	-2.0	-97.87	334.46	5.46	-92.41
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1	REAL300000507301	1	37	-2.0	-94.12	351.83	6.04	-88.08
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1	REAL300000507302	0	36	-2.0	-107.40	333.35	3.07	-104.33
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OCCF)C=C2)=C1	REAL300000507302	1	36	-2.0	-109.09	332.54	3.88	-105.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=CC=C1[N+](=O)[O-]	REAL300000507309	1	37	-2.0	-106.35	350.21	6.45	-99.90
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1	REAL300000507310	0	35	-2.0	-98.16	335.40	5.50	-92.66
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)C=C1C(=O)[O-]	REAL300000507312	0	38	-2.0	-107.79	345.11	5.97	-101.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1Cl	REAL300000507313	0	38	-2.0	-106.87	355.40	6.51	-100.36
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1	REAL300000507314	0	38	-2.0	-113.15	348.65	6.06	-107.09
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)C=C1C(=O)[O-]	REAL300000507319	1	39	-2.0	-107.19	351.66	5.59	-101.60
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)C([N+](=O)[O-])=C1	REAL300000507323	0	40	-2.0	-100.59	364.36	7.53	-93.06
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1[N+](=O)[O-]	REAL300000507325	0	37	-2.0	-115.07	347.38	7.23	-107.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1F	REAL300000507326	0	35	-2.0	-112.01	327.29	5.40	-106.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=CC2=CC=CC=C21	REAL300000507328	1	41	-2.0	-117.50	364.67	7.49	-110.01
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C1	REAL300000507329	0	34	-2.0	-106.55	319.85	3.48	-103.07
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCCF)C=C1	REAL300000507330	0	39	-2.0	-99.58	351.84	5.16	-94.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)=C(Cl)O1	REAL300000507331	0	32	-2.0	-95.45	323.79	4.34	-91.11
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCCF)C=C2)C=C(C(=O)[O-])O1	REAL300000507334	0	38	-2.0	-101.47	345.76	5.36	-96.11
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C2S1	REAL300000507335	1	37	-2.0	-92.36	358.66	7.13	-85.23
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2S1	REAL300000507336	1	37	-2.0	-104.33	358.68	7.12	-97.21
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2S1	REAL300000507337	0	34	-2.0	-98.77	351.86	6.15	-92.62
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2S1	REAL300000507338	0	38	-2.0	-102.86	365.33	6.47	-96.39
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2S1	REAL300000507339	0	34	-2.0	-100.21	350.33	6.17	-94.04
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C2S1	REAL300000507340	0	37	-2.0	-98.41	361.69	6.27	-92.14
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2S1	REAL300000507341	0	34	-2.0	-93.97	350.95	6.26	-87.71
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2S1	REAL300000507342	0	36	-2.0	-100.88	355.67	5.18	-95.70
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(O)C=C2Br)=C1	REAL300000507349	1	26	-2.0	-97.90	290.22	1.86	-96.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C=C2Br)=C1	REAL300000507352	1	29	-2.0	-93.95	306.17	2.53	-91.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2Br)S1	REAL300000507357	1	26	-2.0	-92.65	289.29	1.96	-90.69
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(O)C=C2Br)=C1	REAL300000507360	0	30	-2.0	-101.51	301.30	1.41	-100.10
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(O)C=C2Br)=C1	REAL300000507367	1	28	-2.0	-100.50	293.24	0.96	-99.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2Br)=C(Cl)O1	REAL300000507368	1	26	-2.0	-91.32	297.13	1.81	-89.51
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C2=NNN=C2C=C1	REAL300000507370	0	40	-2.0	-90.92	359.11	2.04	-88.88
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000507370	1	40	-2.0	-96.03	359.85	2.12	-93.91
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507371	0	33	-2.0	-107.51	307.19	3.48	-104.03
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000507371	1	33	-2.0	-113.07	307.92	3.56	-109.51
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NNN=C21	REAL300000507372	0	41	-2.0	-108.41	362.28	4.53	-103.88
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2N=NNC2=CC=C1C	REAL300000507372	1	41	-2.0	-114.44	363.01	4.60	-109.84
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=NNN=C2C=C1	REAL300000507373	0	33	-2.0	-97.64	302.63	3.46	-94.18
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000507373	1	33	-2.0	-103.03	303.38	3.54	-99.49
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507374	0	33	-2.0	-110.06	302.66	3.45	-106.61
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000507374	1	33	-2.0	-116.02	303.39	3.53	-112.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NNN=C21	REAL300000507375	0	37	-2.0	-115.73	330.80	3.24	-112.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2N=NNC2=CC=C1C	REAL300000507375	1	37	-2.0	-122.46	331.53	3.31	-119.15
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2=NNN=C2C=C1	REAL300000507376	0	37	-2.0	-96.93	334.11	4.75	-92.18
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000507376	1	37	-2.0	-102.14	334.84	4.83	-97.31
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)C=C1C(=O)[O-]	REAL300000507377	0	36	-2.0	-111.23	318.67	3.98	-107.25
CC1=CC=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)C=C1C(=O)[O-]	REAL300000507377	1	36	-2.0	-117.24	319.41	4.06	-113.18
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C2=NNN=C2C=C1	REAL300000507378	0	33	-2.0	-105.86	315.73	4.02	-101.84
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000507378	1	33	-2.0	-112.12	316.46	4.10	-108.02
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507379	0	33	-2.0	-105.96	315.16	3.84	-102.12
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000507379	1	33	-2.0	-111.67	315.90	3.92	-107.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)=C1C	REAL300000507380	0	39	-2.0	-113.32	335.76	4.79	-108.53
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000507380	1	39	-2.0	-119.93	336.50	4.86	-115.07
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=NNN=C2C=C1	REAL300000507381	0	33	-2.0	-107.83	308.14	3.51	-104.32
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000507381	1	33	-2.0	-114.28	308.87	3.59	-110.69
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C2=NNN=C2C=C1	REAL300000507382	0	39	-2.0	-96.26	346.22	5.04	-91.22
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000507382	1	39	-2.0	-101.71	346.97	5.10	-96.61
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=NNN=C2C=C1	REAL300000507383	0	30	-2.0	-104.64	295.84	2.47	-102.17
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000507383	1	30	-2.0	-110.21	296.57	2.54	-107.67
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NNN=C21	REAL300000507384	0	36	-2.0	-111.38	318.09	4.24	-107.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2N=NNC2=CC=C1C	REAL300000507384	1	36	-2.0	-117.91	318.82	4.31	-113.60
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2=NNN=C2C=C1	REAL300000507385	0	37	-2.0	-95.53	333.72	3.74	-91.79
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000507385	1	37	-2.0	-100.84	334.46	3.81	-97.03
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507386	0	34	-2.0	-108.28	309.31	2.81	-105.47
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000507386	1	34	-2.0	-114.07	310.04	2.88	-111.19
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NNN=C21	REAL300000507387	0	37	-2.0	-111.82	326.86	2.27	-109.55
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000507387	1	37	-2.0	-118.74	327.17	2.36	-116.38
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)=C1	REAL300000507388	0	33	-2.0	-100.70	311.79	3.14	-97.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)=C1	REAL300000507388	1	33	-2.0	-106.37	312.52	3.20	-103.17
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)C=C1C(=O)[O-]	REAL300000507389	0	39	-2.0	-112.67	334.10	4.78	-107.89
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000507389	1	39	-2.0	-119.36	334.83	4.85	-114.51
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507390	0	30	-2.0	-105.76	294.31	2.48	-103.28
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000507390	1	30	-2.0	-111.46	295.04	2.56	-108.90
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)=CC(C(=O)[O-])=C1OC	REAL300000507391	0	41	-2.0	-110.70	360.98	3.26	-107.44
COC1=CC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000507391	1	41	-2.0	-116.46	361.72	3.33	-113.13
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)C=C1C(=O)[O-]	REAL300000507392	0	37	-2.0	-115.99	329.94	3.52	-112.47
COC1=CC=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)C=C1C(=O)[O-]	REAL300000507392	1	37	-2.0	-121.89	330.68	3.60	-118.29
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C2=NNN=C2C=C1	REAL300000507393	0	43	-2.0	-115.44	357.89	6.08	-109.36
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000507393	1	43	-2.0	-122.12	358.62	6.16	-115.96
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C2=NNN=C2C=C1	REAL300000507394	0	42	-2.0	-113.45	356.56	5.46	-107.99
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000507394	1	42	-2.0	-120.20	357.29	5.55	-114.65
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NNN=C21	REAL300000507395	0	39	-2.0	-109.74	331.79	5.14	-104.60
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2N=NNC2=CC=C1C	REAL300000507395	1	39	-2.0	-116.24	329.91	5.09	-111.15
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NNN=C21	REAL300000507396	0	40	-2.0	-115.71	353.09	4.01	-111.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2N=NNC2=CC=C1C	REAL300000507396	1	40	-2.0	-121.75	353.82	4.07	-117.68
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507397	0	35	-3.0	-186.20	331.06	4.01	-182.19
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000507397	1	35	-3.0	-193.05	331.80	4.10	-188.95
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C2=NNN=C2C=C1	REAL300000507398	0	40	-2.0	-115.65	346.90	5.36	-110.29
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000507398	1	40	-2.0	-122.38	347.63	5.43	-116.95
CC1=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)C=C(C(=O)[O-])O1	REAL300000507399	0	33	-2.0	-104.57	305.67	2.61	-101.96
CC1=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)C=C(C(=O)[O-])O1	REAL300000507399	1	33	-2.0	-110.60	306.40	2.67	-107.93
CC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507400	0	39	-2.0	-115.14	344.82	3.22	-111.92
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000507400	1	39	-2.0	-121.06	345.56	3.29	-117.77
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)=C1	REAL300000507401	0	37	-2.0	-110.64	331.62	2.54	-108.10
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)=C1	REAL300000507401	1	37	-2.0	-116.24	332.38	2.60	-113.64
CC1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C2=NNN=C2C=C1	REAL300000507402	0	41	-2.0	-96.19	355.57	4.05	-92.14
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000507402	1	41	-2.0	-101.54	356.31	4.12	-97.42
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C2=NNN=C2C=C1	REAL300000507403	0	33	-2.0	-102.66	320.26	4.04	-98.62
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000507403	1	33	-2.0	-108.66	320.99	4.12	-104.54
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C2=NNN=C2C=C1	REAL300000507404	0	37	-2.0	-94.11	349.75	4.27	-89.84
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000507404	1	37	-2.0	-99.26	350.49	4.34	-94.92
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)=CC=C1OCC(=O)[O-]	REAL300000507405	0	40	-2.0	-96.07	353.81	4.44	-91.63
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000507405	1	40	-2.0	-101.36	354.55	4.51	-96.85
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C2=NNN=C2C=C1	REAL300000507406	0	36	-2.0	-102.04	323.37	4.27	-97.77
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000507406	1	36	-2.0	-108.25	324.11	4.34	-103.91
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C2=NNN=C2C=C1	REAL300000507407	0	37	-2.0	-95.16	339.95	3.80	-91.36
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000507407	1	37	-2.0	-100.20	340.69	3.87	-96.33
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)C=C1C(=O)[O-]	REAL300000507408	0	40	-2.0	-116.62	351.79	4.43	-112.19
CCOC1=CC=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)C=C1C(=O)[O-]	REAL300000507408	1	40	-2.0	-122.51	352.53	4.51	-118.00
CC1=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)C=C(C(=O)[O-])S1	REAL300000507409	0	33	-2.0	-107.83	311.28	3.34	-104.49
CC1=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)C=C(C(=O)[O-])S1	REAL300000507409	1	33	-2.0	-114.09	312.01	3.43	-110.66
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C2=NNN=C2C=C1	REAL300000507410	0	33	-2.0	-94.94	315.70	4.01	-90.93
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000507410	1	33	-2.0	-100.12	316.44	4.09	-96.03
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=NNN=C2C=C1	REAL300000507411	0	33	-2.0	-97.14	307.17	3.49	-93.65
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000507411	1	33	-2.0	-102.46	307.93	3.57	-98.89
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=NNN=C2C=C1	REAL300000507412	0	30	-2.0	-99.53	294.91	2.58	-96.95
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000507412	1	30	-2.0	-105.01	295.64	2.65	-102.36
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507413	0	33	-2.0	-101.11	309.06	3.52	-97.59
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000507413	1	33	-2.0	-106.77	309.80	3.59	-103.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)=C1F	REAL300000507414	0	36	-2.0	-109.26	328.40	4.14	-105.12
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000507414	1	36	-2.0	-115.86	329.14	4.22	-111.64
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)=C(Cl)C=C1C(=O)[O-]	REAL300000507415	0	37	-2.0	-99.66	342.97	4.08	-95.58
COC1=CC(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000507415	1	37	-2.0	-104.75	343.70	4.15	-100.60
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=NNN=C2C=C1	REAL300000507416	0	33	-2.0	-97.07	308.12	3.52	-93.55
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000507416	1	33	-2.0	-102.43	308.86	3.60	-98.83
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=NNN=C2C=C1	REAL300000507417	0	33	-2.0	-95.24	315.14	3.85	-91.39
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000507417	1	33	-2.0	-100.58	315.90	3.93	-96.65
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C2=NNN=C2C=C1	REAL300000507418	0	36	-2.0	-103.73	332.11	4.66	-99.07
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000507418	1	36	-2.0	-110.01	332.84	4.73	-105.28
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C2=NNN=C2C=C1	REAL300000507419	0	41	-2.0	-93.72	366.39	4.86	-88.86
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000507419	1	41	-2.0	-98.76	367.13	4.94	-93.82
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507420	0	33	-2.0	-99.22	313.47	3.54	-95.68
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000507420	1	33	-2.0	-104.64	314.21	3.61	-101.03
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507421	0	35	-2.0	-95.31	330.85	4.12	-91.19
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000507421	1	35	-2.0	-100.85	331.59	4.19	-96.66
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=NNN=C2C=C1	REAL300000507422	0	34	-2.0	-110.47	312.37	1.16	-109.31
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000507422	1	34	-2.0	-117.13	313.11	1.23	-115.90
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=NNN=C2C=C1	REAL300000507423	0	36	-2.0	-101.42	324.82	4.24	-97.18
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000507423	1	36	-2.0	-107.44	325.57	4.30	-103.14
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507424	0	33	-2.0	-100.66	323.36	3.98	-96.68
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000507424	1	33	-2.0	-106.19	324.10	4.05	-102.14
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C2=NNN=C2C=C1	REAL300000507425	0	36	-2.0	-105.66	312.69	4.09	-101.57
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000507425	1	36	-2.0	-110.93	313.43	4.16	-106.77
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)=CC(C(=O)[O-])=C1F	REAL300000507426	0	36	-2.0	-109.02	327.49	4.10	-104.92
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000507426	1	36	-2.0	-114.66	328.23	4.17	-110.49
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NNN=C21	REAL300000507427	0	36	-2.0	-97.90	318.07	4.23	-93.67
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000507427	1	36	-2.0	-103.32	318.80	4.30	-99.02
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)=CC(C(=O)[O-])=C1C	REAL300000507428	0	39	-2.0	-113.30	335.53	4.52	-108.78
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000507428	1	39	-2.0	-119.30	336.27	4.60	-114.70
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507429	0	35	-2.0	-108.43	329.21	4.55	-103.88
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000507429	1	35	-2.0	-113.81	329.95	4.63	-109.18
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C2=NNN=C2C=C1	REAL300000507430	0	33	-2.0	-99.48	314.39	3.58	-95.90
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000507430	1	33	-2.0	-105.62	315.13	3.66	-101.96
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)C(C)=C1C(=O)[O-]	REAL300000507431	0	39	-2.0	-109.81	337.14	4.85	-104.96
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000507431	1	39	-2.0	-115.50	336.92	4.93	-110.57
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)C=C1C(=O)[O-]	REAL300000507432	0	36	-2.0	-108.94	324.13	4.05	-104.89
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000507432	1	36	-2.0	-115.51	324.86	4.13	-111.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)=C1Cl	REAL300000507433	0	36	-2.0	-107.65	334.43	4.60	-103.05
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=C(Cl)C(C)=CC(C(=O)[O-])=C1	REAL300000507433	1	36	-2.0	-114.02	335.17	4.66	-109.36
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)=C1	REAL300000507434	0	36	-2.0	-114.47	327.67	4.14	-110.33
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)=C1	REAL300000507434	1	36	-2.0	-119.84	328.42	4.22	-115.62
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)C=C1C(=O)[O-]	REAL300000507435	0	39	-2.0	-112.07	336.59	4.64	-107.43
CCC1=CC=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)C=C1C(=O)[O-]	REAL300000507435	1	39	-2.0	-118.02	337.72	4.71	-113.31
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)C=C1CC(=O)[O-]	REAL300000507436	0	40	-2.0	-111.91	353.12	3.58	-108.33
COC1=CC=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)C=C1CC(=O)[O-]	REAL300000507436	1	40	-2.0	-117.25	353.85	3.65	-113.60
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C2=NNN=C2C=C1	REAL300000507437	0	36	-2.0	-99.22	328.92	4.63	-94.59
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000507437	1	36	-2.0	-105.16	333.93	4.79	-100.37
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)=CC(C(=O)[O-])=C1Cl	REAL300000507438	0	36	-2.0	-107.92	333.87	4.41	-103.51
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C(C)=C1	REAL300000507438	1	36	-2.0	-113.68	334.62	4.48	-109.20
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)C=C1C(=O)[O-]	REAL300000507439	0	37	-2.0	-109.57	330.68	3.68	-105.89
CCN1C=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)C=C1C(=O)[O-]	REAL300000507439	1	37	-2.0	-115.42	331.41	3.74	-111.68
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)C(C)=C1CC(=O)[O-]	REAL300000507440	0	45	-2.0	-108.98	367.06	6.28	-102.70
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000507440	1	45	-2.0	-115.10	368.31	6.38	-108.72
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507441	0	36	-2.0	-103.59	332.51	4.42	-99.17
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000507441	1	36	-2.0	-109.40	333.26	4.49	-104.91
CC1=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507442	0	42	-2.0	-106.82	352.09	5.57	-101.25
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000507442	1	42	-2.0	-112.92	352.82	5.67	-107.25
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)C=C1C(=O)[O-]	REAL300000507443	0	37	-2.0	-111.52	342.98	4.09	-107.43
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)C=C1C(=O)[O-]	REAL300000507443	1	37	-2.0	-117.76	343.71	4.16	-113.60
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)=CC=C1C(=O)[O-]	REAL300000507444	0	36	-2.0	-97.83	318.66	3.99	-93.84
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000507444	1	36	-2.0	-103.27	319.40	4.07	-99.20
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C2=NNN=C2C=C1	REAL300000507445	0	38	-2.0	-101.61	345.91	5.63	-95.98
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000507445	1	38	-2.0	-107.47	346.64	5.71	-101.76
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NNN=C21	REAL300000507446	0	36	-2.0	-108.87	322.61	4.28	-104.59
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000507446	1	36	-2.0	-115.15	323.34	4.35	-110.80
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C2=NNN=C2C=C1	REAL300000507447	0	35	-2.0	-116.31	326.41	5.31	-111.00
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000507447	1	35	-2.0	-121.63	327.14	5.39	-116.24
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=NNN=C2C=C1	REAL300000507448	0	33	-2.0	-113.49	306.30	3.48	-110.01
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000507448	1	33	-2.0	-118.87	307.03	3.56	-115.31
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507449	0	36	-2.0	-101.95	323.82	4.02	-97.93
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000507449	1	36	-2.0	-107.70	324.56	4.09	-103.61
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507450	0	39	-2.0	-118.43	343.69	5.58	-112.85
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000507450	1	39	-2.0	-124.54	344.43	5.65	-118.89
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=NNN=C2C=C1	REAL300000507451	0	32	-2.0	-108.14	298.87	1.57	-106.57
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000507451	1	32	-2.0	-114.16	299.60	1.65	-112.51
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NNN=C21	REAL300000507452	0	37	-2.0	-101.72	330.85	3.24	-98.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2N=NNC2=CC=C1C	REAL300000507452	1	37	-2.0	-107.31	331.59	3.32	-103.99
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=NNN=C2C=C1	REAL300000507453	0	30	-2.0	-98.32	302.76	2.42	-95.90
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000507453	1	30	-2.0	-104.01	303.50	2.51	-101.50
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C2=NNN=C2C=C1	REAL300000507454	0	40	-2.0	-104.23	348.78	5.34	-98.89
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000507454	1	40	-2.0	-110.10	349.52	5.40	-104.70
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C2=NNN=C2C=C1	REAL300000507455	0	40	-2.0	-106.35	346.74	5.32	-101.03
CC1=CC=C2NN=NC2=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000507455	1	40	-2.0	-111.53	347.48	5.39	-106.14
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NNN=C32)C=C(C(=O)[O-])O1	REAL300000507456	0	36	-2.0	-104.48	324.79	3.46	-101.02
CCC1=C(S(=O)(=O)[N-]C2=C3N=NNC3=CC=C2C)C=C(C(=O)[O-])O1	REAL300000507456	1	36	-2.0	-110.50	325.52	3.52	-106.98
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(Cl)=N1	REAL300000507457	1	35	-2.0	-90.10	335.83	1.90	-88.20
CN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507458	1	28	-2.0	-106.17	283.90	3.34	-102.83
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1Cl	REAL300000507459	0	36	-2.0	-107.39	338.99	4.38	-103.01
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(Cl)=N1	REAL300000507461	1	28	-2.0	-96.37	279.36	3.32	-93.05
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507462	1	28	-2.0	-108.59	279.37	3.31	-105.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1Cl	REAL300000507463	0	32	-2.0	-114.27	307.51	3.09	-111.18
CN1C=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507464	1	28	-2.0	-103.98	295.61	3.80	-100.18
CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(Cl)=N1	REAL300000507465	1	32	-2.0	-95.92	310.82	4.61	-91.31
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C=C1C(=O)[O-]	REAL300000507466	0	31	-2.0	-109.40	295.38	3.85	-105.55
CN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507468	1	28	-2.0	-104.43	291.87	3.71	-100.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)=C1C	REAL300000507470	0	34	-2.0	-111.97	312.47	4.64	-107.33
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(Cl)=N1	REAL300000507471	1	28	-2.0	-106.22	284.85	3.38	-102.84
CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(Cl)=N1	REAL300000507472	1	34	-2.0	-95.24	322.94	4.90	-90.34
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(Cl)=N1	REAL300000507473	1	25	-2.0	-103.11	272.55	2.33	-100.78
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1Cl	REAL300000507474	0	31	-2.0	-110.04	294.81	4.08	-105.96
CN1C=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C(Cl)=N1	REAL300000507476	1	39	-2.0	-91.27	356.21	4.37	-86.90
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1Cl	REAL300000507478	0	32	-2.0	-110.54	303.57	2.13	-108.41
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)=C1	REAL300000507479	0	28	-2.0	-99.27	288.50	3.00	-96.27
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C=C1C(=O)[O-]	REAL300000507480	0	34	-2.0	-111.28	310.82	4.62	-106.66
COC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000507482	0	36	-2.0	-108.93	337.69	3.12	-105.81
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C=C1C(=O)[O-]	REAL300000507483	0	32	-2.0	-114.27	306.66	3.38	-110.89
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(Cl)=N1	REAL300000507484	1	38	-2.0	-114.01	334.61	5.94	-108.07
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1Cl	REAL300000507485	0	37	-2.0	-112.19	333.27	5.31	-106.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1Cl	REAL300000507486	0	34	-2.0	-108.58	309.49	5.03	-103.55
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1Cl	REAL300000507487	0	35	-2.0	-113.85	329.80	3.86	-109.99
CN1C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507488	0	31	-2.0	-107.64	317.40	3.69	-103.95
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507488	1	30	-3.0	-182.63	307.77	3.88	-178.75
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(Cl)=N1	REAL300000507489	1	35	-2.0	-114.26	323.61	5.20	-109.06
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C=C(C(=O)[O-])O1	REAL300000507490	0	28	-2.0	-103.46	282.37	2.45	-101.01
CN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507491	1	34	-2.0	-113.36	321.54	3.08	-110.28
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)=C1	REAL300000507492	0	32	-2.0	-108.49	308.29	2.39	-106.10
CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507494	1	28	-2.0	-98.37	307.04	4.16	-94.21
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C(Cl)=N1	REAL300000507496	1	32	-2.0	-93.27	326.47	4.14	-89.13
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)=CC=C1OCC(=O)[O-]	REAL300000507497	0	35	-2.0	-95.10	330.52	4.30	-90.80
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C(Cl)=N1	REAL300000507498	1	38	-2.0	-94.05	359.12	4.57	-89.48
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1Cl	REAL300000507499	0	31	-2.0	-100.83	300.08	4.12	-96.71
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)=CC=C1OCCCC(=O)[O-]	REAL300000507500	0	41	-2.0	-95.18	372.98	5.24	-89.94
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(Cl)=N1	REAL300000507501	1	32	-2.0	-94.22	316.66	3.66	-90.56
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C=C1C(=O)[O-]	REAL300000507502	0	35	-2.0	-114.89	328.50	4.29	-110.60
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C=C(C(=O)[O-])S1	REAL300000507503	0	28	-2.0	-106.74	287.99	3.20	-103.54
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(Cl)=N1	REAL300000507507	1	28	-2.0	-95.96	283.90	3.35	-92.61
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(Cl)=N1	REAL300000507508	1	25	-2.0	-98.11	271.63	2.44	-95.67
CN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507509	1	28	-2.0	-99.60	285.78	3.37	-96.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)=C1F	REAL300000507510	0	31	-2.0	-107.50	305.11	4.01	-103.49
COC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)=C(Cl)C=C1C(=O)[O-]	REAL300000507511	0	32	-2.0	-98.63	319.68	3.92	-94.71
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(Cl)=N1	REAL300000507512	1	28	-2.0	-95.56	284.83	3.38	-92.18
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(Cl)=N1	REAL300000507513	1	28	-2.0	-93.97	291.87	3.72	-90.25
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1Cl	REAL300000507514	0	31	-2.0	-102.58	308.81	4.51	-98.07
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(Cl)=N1	REAL300000507515	1	36	-2.0	-92.88	343.10	4.73	-88.15
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C(Cl)=N1	REAL300000507516	1	28	-2.0	-93.61	295.61	3.81	-89.80
CN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507517	1	28	-2.0	-97.97	290.19	3.41	-94.56
CN1C=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(Cl)=N1	REAL300000507519	0	29	-2.0	-99.67	292.95	1.30	-98.37
CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(Cl)=N1	REAL300000507520	1	31	-2.0	-100.18	301.54	4.10	-96.08
CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507521	1	28	-2.0	-99.37	300.07	3.84	-95.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1Cl	REAL300000507522	0	31	-2.0	-104.02	289.41	3.95	-100.07
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)=CC(C(=O)[O-])=C1F	REAL300000507523	0	31	-2.0	-107.38	304.20	3.96	-103.42
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1Cl	REAL300000507524	0	31	-2.0	-96.89	294.78	4.08	-92.81
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)=CC(C(=O)[O-])=C1C	REAL300000507525	0	34	-2.0	-111.38	312.24	4.37	-107.01
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(Cl)=N1	REAL300000507527	1	28	-2.0	-97.98	291.10	3.44	-94.54
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C(C)=C1C(=O)[O-]	REAL300000507528	0	34	-2.0	-108.19	313.85	4.68	-103.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C=C1C(=O)[O-]	REAL300000507529	0	31	-2.0	-107.15	300.84	3.91	-103.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)=C1Cl	REAL300000507530	0	31	-2.0	-106.44	311.15	4.44	-102.00
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)=C1	REAL300000507531	0	31	-2.0	-112.20	304.38	4.01	-108.19
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C=C1C(=O)[O-]	REAL300000507532	0	34	-2.0	-110.15	313.69	4.50	-105.65
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C=C1CC(=O)[O-]	REAL300000507533	0	35	-2.0	-109.92	329.84	3.45	-106.47
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C)N=C1Cl	REAL300000507534	0	31	-2.0	-97.75	305.63	4.48	-93.27
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(Cl)=N1	REAL300000507535	1	31	-2.0	-92.96	309.49	4.12	-88.84
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)=CC(C(=O)[O-])=C1Cl	REAL300000507536	0	31	-2.0	-106.19	310.59	4.27	-101.92
CN1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507537	1	28	-2.0	-101.50	300.67	3.92	-97.58
CCN1C=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C=C1C(=O)[O-]	REAL300000507538	0	32	-2.0	-108.15	307.39	3.54	-104.61
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C(C)=C1CC(=O)[O-]	REAL300000507539	0	40	-2.0	-107.60	344.52	6.18	-101.42
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C(Cl)=N1	REAL300000507540	1	28	-2.0	-96.94	304.97	3.87	-93.07
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C=C1C(=O)[O-]	REAL300000507542	0	31	-2.0	-101.84	309.23	4.28	-97.56
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C=C1C(=O)[O-]	REAL300000507544	0	32	-2.0	-110.33	319.69	3.93	-106.40
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)=CC=C1C(=O)[O-]	REAL300000507545	0	31	-2.0	-96.48	295.38	3.86	-92.62
CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(Cl)=N1	REAL300000507546	0	33	-2.0	-100.67	322.62	5.48	-95.19
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1Cl	REAL300000507547	0	31	-2.0	-107.73	299.32	4.12	-103.61
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(Cl)=N1	REAL300000507548	0	30	-2.0	-114.07	303.10	5.15	-108.92
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(Cl)=N1	REAL300000507549	1	28	-2.0	-111.64	283.03	3.34	-108.30
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C=C1C(=O)[O-]	REAL300000507550	0	31	-2.0	-100.22	300.53	3.89	-96.33
CN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507551	1	34	-2.0	-116.48	320.41	5.43	-111.05
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(Cl)=N1	REAL300000507552	0	27	-2.0	-106.25	275.58	1.43	-104.82
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1Cl	REAL300000507553	0	32	-2.0	-100.57	307.57	3.10	-97.47
CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507554	1	25	-2.0	-97.23	279.47	2.28	-94.95
CN1C=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000507555	1	32	-2.0	-103.82	323.15	3.86	-99.96
CN1C=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C(Cl)=N1	REAL300000507556	1	31	-2.0	-99.62	322.69	0.35	-99.27
CN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(Cl)=N1	REAL300000507557	1	35	-2.0	-103.05	325.49	5.19	-97.86
CN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(Cl)=N1	REAL300000507558	1	35	-2.0	-104.49	323.45	5.18	-99.31
CCC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2Cl)C=C(C(=O)[O-])O1	REAL300000507559	0	31	-2.0	-103.45	301.50	3.30	-100.15
CCOC1=CC(S(C)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000507560	0	41	-2.0	-103.59	377.42	2.81	-100.78
CCOC1=CC(S(C)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000507561	0	41	-2.0	-115.19	377.43	2.80	-112.39
COC(=O)C1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000507585	0	40	-2.0	-110.15	372.43	7.49	-102.66
COC(=O)C1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000507604	0	38	-2.0	-106.55	337.59	5.65	-100.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)=CC=C1F	REAL300000507634	1	33	-2.0	-97.80	328.96	5.79	-92.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)C=C1	REAL300000507635	1	33	-2.0	-90.31	324.52	5.83	-84.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)=C1	REAL300000507636	1	33	-2.0	-99.96	324.44	5.76	-94.20
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)C=C1	REAL300000507637	1	37	-2.0	-87.89	355.89	7.05	-80.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000507638	1	36	-2.0	-101.06	340.55	6.30	-94.76
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)=C1	REAL300000507639	0	33	-2.0	-98.77	329.99	5.89	-92.88
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)=C1	REAL300000507640	0	30	-2.0	-96.68	317.70	4.84	-91.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(F)(F)F)=C1	REAL300000507641	1	36	-2.0	-102.39	339.95	6.62	-95.77
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000507642	0	34	-2.0	-100.68	331.17	5.18	-95.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)=C1	REAL300000507643	0	33	-2.0	-93.04	333.63	5.51	-87.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)=CS1	REAL300000507644	0	30	-2.0	-98.07	316.17	4.86	-93.21
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000507645	0	33	-2.0	-96.10	327.55	4.97	-91.13
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000507646	0	33	-2.0	-97.30	334.12	5.64	-91.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)C=C1F	REAL300000507647	1	33	-2.0	-87.95	328.94	5.80	-82.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)S1	REAL300000507648	0	30	-2.0	-91.82	316.79	4.94	-86.88
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)=C1	REAL300000507649	1	33	-2.0	-91.13	330.83	5.82	-85.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)C(F)=C1	REAL300000507650	0	33	-2.0	-89.68	329.98	5.90	-83.78
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)=C1	REAL300000507651	0	34	-2.0	-99.63	334.12	3.47	-96.16
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(=O)C(F)(F)F)=C2)=C1	REAL300000507651	1	34	-2.0	-102.18	333.34	4.41	-97.77
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)C=C1	REAL300000507652	1	36	-2.0	-92.97	346.70	6.60	-86.37
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(F)(F)F)=C1	REAL300000507653	1	36	-2.0	-99.00	334.59	6.46	-92.54
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(F)(F)F)=C1	REAL300000507654	1	36	-2.0	-90.40	339.93	6.60	-83.80
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000507655	0	37	-2.0	-99.75	352.55	5.97	-93.78
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000507656	1	36	-2.0	-88.37	340.70	6.31	-82.06
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)=C1F	REAL300000507657	0	33	-2.0	-106.81	328.18	5.86	-100.95
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)=C1	REAL300000507658	0	32	-2.0	-96.96	321.40	3.81	-93.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)=C(Cl)O1	REAL300000507659	0	30	-2.0	-90.24	324.67	4.80	-85.44
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000507660	0	36	-2.0	-95.87	346.65	5.81	-90.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)=CC=C1F	REAL300000507661	0	32	-2.0	-102.75	327.18	5.37	-97.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)C=C1	REAL300000507662	0	32	-2.0	-93.35	322.64	5.35	-88.00
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)=C1	REAL300000507663	0	32	-2.0	-106.01	322.75	5.33	-100.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)C=C1C(=O)[O-]	REAL300000507664	0	35	-2.0	-107.21	338.67	5.87	-101.34
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)=C1	REAL300000507665	0	32	-2.0	-102.59	328.12	5.40	-97.19
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)=C1	REAL300000507666	0	29	-2.0	-99.90	315.92	4.36	-95.54
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC(F)F	REAL300000507667	0	35	-2.0	-105.52	335.86	6.03	-99.49
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)C=C1C(=O)[O-]	REAL300000507668	0	33	-2.0	-103.58	329.39	4.69	-98.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)=C1	REAL300000507669	0	32	-2.0	-96.44	331.76	5.02	-91.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)=CS1	REAL300000507670	0	29	-2.0	-101.11	314.39	4.37	-96.74
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000507671	0	32	-2.0	-99.90	325.74	4.48	-95.42
CC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300000507672	0	32	-2.0	-102.07	329.79	5.13	-96.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)C=C1F	REAL300000507673	0	32	-2.0	-93.08	327.17	5.38	-87.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)S1	REAL300000507674	0	29	-2.0	-95.21	315.00	4.46	-90.75
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)=C1	REAL300000507675	0	32	-2.0	-97.04	329.15	5.40	-91.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)C(F)=C1	REAL300000507676	0	32	-2.0	-92.77	328.20	5.41	-87.36
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)=C1	REAL300000507677	0	33	-2.0	-104.33	331.44	3.09	-101.24
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)C=C1	REAL300000507678	0	35	-2.0	-97.24	344.83	6.12	-91.12
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC(F)F	REAL300000507679	0	35	-2.0	-101.68	331.04	5.91	-95.77
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1OC(F)F	REAL300000507680	0	35	-2.0	-93.14	335.81	6.03	-87.11
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)C=C1C(=O)[O-]	REAL300000507681	0	36	-2.0	-105.49	350.60	5.54	-99.95
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000507682	0	35	-2.0	-93.43	338.73	5.89	-87.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)=C1F	REAL300000507683	0	32	-2.0	-109.74	326.29	5.36	-104.38
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)=C1	REAL300000507684	0	31	-2.0	-102.54	319.64	3.39	-99.15
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000507685	0	35	-2.0	-98.36	335.72	5.06	-93.30
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(Br)NC2=O)=C1	REAL300000507703	0	29	-2.0	-102.78	294.71	0.73	-102.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)NC2=O)=C(Cl)O1	REAL300000507711	1	25	-2.0	-101.92	287.49	3.13	-98.79
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2Br)=C1	REAL300000507715	1	25	-2.0	-90.07	291.21	4.82	-85.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2Br)S1	REAL300000507719	1	25	-2.0	-85.56	290.28	4.92	-80.64
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2Br)=C1	REAL300000507720	0	27	-2.0	-92.62	294.23	3.91	-88.71
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(S(N)(=O)=O)=C1	REAL300000507721	1	36	-2.0	-107.40	345.79	0.65	-106.75
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(S(N)(=O)=O)=C1	REAL300000507722	1	36	-2.0	-99.01	341.29	0.62	-98.39
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(S(N)(=O)=O)=C1	REAL300000507723	1	36	-2.0	-109.92	341.25	0.62	-109.30
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC(S(N)(=O)=O)=C1	REAL300000507724	1	40	-2.0	-98.70	372.76	1.91	-96.79
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(S(N)(=O)=O)=C1	REAL300000507725	1	39	-2.0	-113.42	357.33	1.15	-112.27
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC(S(N)(=O)=O)=C1	REAL300000507726	1	42	-2.0	-114.64	373.98	1.96	-112.68
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(S(N)(=O)=O)=C1	REAL300000507727	0	36	-2.0	-107.94	346.78	0.68	-107.26
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC(S(N)(=O)=O)=C1	REAL300000507728	1	42	-2.0	-97.63	384.87	2.21	-95.42
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(S(N)(=O)=O)=C1	REAL300000507729	0	33	-2.0	-104.50	334.44	-0.36	-104.86
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(S(N)(=O)=O)=C1	REAL300000507730	1	39	-2.0	-110.38	356.69	1.40	-108.98
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(S(N)(=O)=O)=C1	REAL300000507731	0	37	-2.0	-109.16	347.95	-0.04	-109.20
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(S(N)(=O)=O)=CC(C)=C2)=C1	REAL300000507732	0	36	-2.0	-102.25	350.43	0.30	-101.95
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC(S(N)(=O)=O)=C1	REAL300000507733	1	42	-2.0	-112.13	372.77	1.94	-110.19
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(S(N)(=O)=O)=C1	REAL300000507734	0	33	-2.0	-105.86	332.90	-0.34	-106.20
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC(S(N)(=O)=O)=C1	REAL300000507735	1	42	-2.0	-110.78	371.44	2.33	-108.45
CC1=C(S(=O)(=O)[N-]C2=CC(S(N)(=O)=O)=CC(C)=C2)C=C(C(=O)[O-])O1	REAL300000507736	0	36	-2.0	-104.54	344.32	-0.25	-104.79
CC1=C(S(=O)(=O)[N-]C2=CC(S(N)(=O)=O)=CC(C)=C2)C=C(C(=O)[O-])S1	REAL300000507737	0	36	-2.0	-108.56	350.95	0.51	-108.05
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(S(N)(=O)=O)=C1	REAL300000507738	1	36	-2.0	-98.37	345.82	0.66	-97.71
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(S(N)(=O)=O)=C1	REAL300000507739	0	33	-2.0	-101.00	333.58	-0.25	-101.25
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(S(N)(=O)=O)=C1	REAL300000507740	1	36	-2.0	-101.56	347.71	0.68	-100.88
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(S(N)(=O)=O)=C1	REAL300000507741	0	36	-2.0	-98.24	346.72	0.69	-97.55
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(S(N)(=O)=O)=C1	REAL300000507742	0	37	-2.0	-110.91	350.97	-1.67	-112.58
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(S(N)(=O)=O)=C1	REAL300000507742	1	37	-2.0	-104.03	340.02	-0.79	-104.82
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(S(N)(=O)=O)=C1	REAL300000507743	1	39	-2.0	-101.69	363.42	1.41	-100.28
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(S(N)(=O)=O)=C1	REAL300000507744	1	39	-2.0	-108.09	351.32	1.26	-106.83
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC(S(N)(=O)=O)=C1	REAL300000507745	1	39	-2.0	-98.82	356.66	1.39	-97.43
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC(S(N)(=O)=O)=C1	REAL300000507746	1	42	-2.0	-116.78	378.11	1.79	-114.99
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC(S(N)(=O)=O)=C1	REAL300000507747	1	42	-2.0	-110.70	375.73	2.01	-108.69
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000507748	1	42	-2.0	-112.27	375.25	1.80	-110.47
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000507749	0	40	-2.0	-109.82	369.27	0.83	-108.99
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(S(N)(=O)=O)=C1	REAL300000507750	1	39	-2.0	-99.23	357.31	1.16	-98.07
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(S(N)(=O)=O)=C1	REAL300000507751	0	36	-2.0	-114.10	344.91	0.66	-113.44
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(S(N)(=O)=O)=C1	REAL300000507752	0	35	-2.0	-107.90	337.47	-1.25	-109.15
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(S(N)(=O)=O)=C1	REAL300000507753	0	33	-2.0	-98.21	341.40	-0.40	-98.61
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(S(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000507754	0	39	-2.0	-104.23	363.44	0.60	-103.63
CC(=O)NC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000507778	0	41	-2.0	-113.33	365.93	5.70	-107.63
CC(=O)NC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000507797	0	39	-2.0	-111.56	339.28	3.90	-107.66
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)=NO1	REAL300000507827	1	36	-2.0	-106.33	342.40	4.37	-101.96
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2)=NO1	REAL300000507828	1	36	-2.0	-96.48	337.85	4.35	-92.13
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)=NO1	REAL300000507829	1	36	-2.0	-108.76	337.87	4.34	-104.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC(C)=N2)C=C1	REAL300000507830	0	40	-2.0	-114.12	366.01	4.15	-109.97
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2)=NO1	REAL300000507831	1	40	-2.0	-96.20	369.32	5.64	-90.56
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2)=NO1	REAL300000507832	1	39	-2.0	-109.84	353.89	4.88	-104.96
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2)=NO1	REAL300000507833	0	36	-2.0	-104.49	350.94	4.91	-99.58
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2)=NO1	REAL300000507834	1	36	-2.0	-104.64	350.37	4.74	-99.90
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2)=NO1	REAL300000507835	1	42	-2.0	-111.63	370.26	5.65	-105.98
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)=NO1	REAL300000507836	0	36	-2.0	-105.88	343.34	4.41	-101.47
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2)=NO1	REAL300000507837	1	42	-2.0	-96.17	381.43	5.94	-90.23
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)=NO1	REAL300000507838	0	33	-2.0	-102.95	331.05	3.37	-99.58
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2)=NO1	REAL300000507839	1	39	-2.0	-109.80	353.30	5.13	-104.67
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2)=NO1	REAL300000507840	1	40	-2.0	-94.93	368.94	4.63	-90.30
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=NO1	REAL300000507841	0	37	-2.0	-107.15	344.52	3.69	-103.46
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C=C2)=NO1	REAL300000507842	1	40	-2.0	-110.16	362.07	3.15	-107.01
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2)=NO1	REAL300000507843	0	36	-2.0	-99.28	347.00	4.03	-95.25
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=C2)=NO1	REAL300000507844	1	42	-2.0	-110.91	369.33	5.67	-105.24
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)=NO1	REAL300000507845	0	33	-2.0	-104.57	329.52	3.38	-101.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC(C)=N3)C=C2)C=C1C(=O)[O-]	REAL300000507846	1	40	-2.0	-114.59	365.15	4.42	-110.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC(C)=N2)C=C1	REAL300000507847	1	42	-2.0	-108.36	368.02	6.09	-102.27
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2)=NO1	REAL300000507848	1	43	-2.0	-113.72	382.11	6.24	-107.48
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)=NO1	REAL300000507849	0	36	-2.0	-102.74	340.90	3.50	-99.24
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2)=NO1	REAL300000507850	0	40	-2.0	-109.98	366.83	3.43	-106.55
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2)=NO1	REAL300000507851	1	39	-2.0	-100.40	358.58	5.16	-95.24
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2)=NO1	REAL300000507852	0	36	-2.0	-106.31	346.47	4.23	-102.08
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2)=NO1	REAL300000507853	0	36	-2.0	-94.18	350.92	4.90	-89.28
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)=NO1	REAL300000507854	1	36	-2.0	-96.03	342.38	4.38	-91.65
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)=NO1	REAL300000507855	0	33	-2.0	-98.06	330.14	3.47	-94.59
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)=NO1	REAL300000507856	0	36	-2.0	-99.65	344.27	4.41	-95.24
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2)=NO1	REAL300000507857	0	39	-2.0	-107.20	363.63	5.05	-102.15
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)=NO1	REAL300000507858	0	36	-2.0	-95.76	343.33	4.41	-91.35
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)=NO1	REAL300000507859	1	36	-2.0	-94.03	350.35	4.74	-89.29
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2)=NO1	REAL300000507860	1	36	-2.0	-97.99	348.70	4.45	-93.54
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)=NO1	REAL300000507861	0	37	-2.0	-108.73	347.58	2.05	-106.68
CC1=NC(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)=NO1	REAL300000507861	1	37	-2.0	-108.60	346.79	2.86	-105.74
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)=NO1	REAL300000507862	1	39	-2.0	-100.70	360.04	5.14	-95.56
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2)=NO1	REAL300000507863	1	39	-2.0	-106.18	351.69	5.08	-101.10
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C2)=NO1	REAL300000507864	1	39	-2.0	-107.63	362.70	4.99	-102.64
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C2)=NO1	REAL300000507865	1	39	-2.0	-96.81	353.28	5.11	-91.70
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C2)=NO1	REAL300000507866	1	42	-2.0	-111.65	370.74	5.41	-106.24
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2)=NO1	REAL300000507867	0	36	-2.0	-97.55	349.63	4.47	-93.08
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=C2)=NO1	REAL300000507868	1	42	-2.0	-109.21	372.34	5.74	-103.47
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2)=NO1	REAL300000507869	0	39	-2.0	-106.91	359.34	4.94	-101.97
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2)=NO1	REAL300000507870	0	39	-2.0	-113.53	362.90	5.03	-108.50
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC(C)=N3)C=C2)C=C1C(=O)[O-]	REAL300000507871	1	42	-2.0	-110.49	372.10	5.54	-104.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC(C)=N3)C=C2)C=C1C(=O)[O-]	REAL300000507872	0	40	-2.0	-108.37	365.90	4.55	-103.82
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2)=NO1	REAL300000507873	1	39	-2.0	-96.60	353.87	4.89	-91.71
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C2)=NO1	REAL300000507874	1	39	-2.0	-107.31	357.82	5.16	-102.15
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)=NO1	REAL300000507875	0	36	-2.0	-112.89	341.49	4.37	-108.52
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2)=NO1	REAL300000507876	1	39	-2.0	-101.43	362.81	5.02	-96.41
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=NO1	REAL300000507877	0	35	-2.0	-106.28	334.08	2.47	-103.81
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NOC(C)=N2)C=C1	REAL300000507878	0	40	-2.0	-100.58	366.07	4.15	-96.43
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)=NO1	REAL300000507879	0	33	-2.0	-96.60	338.02	3.33	-93.27
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2)=NO1	REAL300000507880	1	43	-2.0	-102.90	383.99	6.23	-96.67
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2)=NO1	REAL300000507881	1	43	-2.0	-105.39	383.31	6.23	-99.16
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NOC(C)=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000507882	0	39	-2.0	-102.68	359.99	4.35	-98.33
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000507885	1	34	-2.0	-100.17	324.64	6.79	-93.38
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C=C1C	REAL300000507886	0	38	-2.0	-105.72	352.79	6.59	-99.13
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000507887	1	38	-2.0	-87.96	356.09	8.09	-79.87
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000507889	0	34	-2.0	-96.17	337.71	7.37	-88.80
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000507890	1	34	-2.0	-96.13	337.14	7.18	-88.95
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000507891	1	40	-2.0	-103.38	357.75	8.12	-95.26
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000507892	0	34	-2.0	-97.59	330.12	6.86	-90.73
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000507893	1	40	-2.0	-87.16	368.21	8.38	-78.78
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000507894	0	31	-2.0	-94.65	317.49	5.78	-88.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C=C1C	REAL300000507895	1	37	-2.0	-101.55	339.73	7.55	-94.00
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000507897	1	35	-2.0	-98.61	330.95	6.11	-92.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C=C2C)=C1	REAL300000507899	0	34	-2.0	-90.90	333.77	6.48	-84.42
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000507901	0	31	-2.0	-96.00	315.95	5.80	-90.20
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C=C1C	REAL300000507903	1	40	-2.0	-100.16	353.83	8.46	-91.70
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000507904	1	41	-2.0	-105.55	368.56	8.66	-96.89
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C=C2C)C=C(C(=O)[O-])O1	REAL300000507905	0	34	-2.0	-94.79	327.65	5.93	-88.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C=C2C)=C1	REAL300000507906	0	38	-2.0	-100.90	353.61	5.88	-95.02
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000507907	1	37	-2.0	-92.30	345.35	7.61	-84.69
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C=C2C)C=C(C(=O)[O-])S1	REAL300000507908	1	34	-2.0	-98.04	333.99	6.65	-91.39
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000507909	0	34	-2.0	-85.80	337.69	7.35	-78.45
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000507910	1	34	-2.0	-87.86	329.16	6.83	-81.03
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000507911	0	31	-2.0	-89.78	316.90	5.92	-83.86
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000507912	1	34	-2.0	-91.25	330.72	6.83	-84.42
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000507913	0	37	-2.0	-98.95	350.39	7.50	-91.45
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000507914	0	34	-2.0	-87.45	330.11	6.86	-80.59
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000507915	1	34	-2.0	-85.87	337.13	7.20	-78.67
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000507916	1	34	-2.0	-89.70	335.13	6.86	-82.84
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000507917	0	35	-2.0	-100.69	334.02	4.47	-96.22
CC1=CC(C(F)(F)F)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000507917	1	35	-2.0	-100.02	328.50	5.37	-94.65
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000507918	1	37	-2.0	-91.76	346.81	7.58	-84.18
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000507919	1	37	-2.0	-96.00	334.34	7.41	-88.59
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000507923	0	34	-2.0	-89.34	336.38	6.92	-82.42
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000507925	0	37	-2.0	-99.84	349.61	7.45	-92.39
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C=C2C)=C1	REAL300000507926	0	37	-2.0	-104.38	349.66	7.48	-96.90
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C=C2C)C=C1C(=O)[O-]	REAL300000507928	1	38	-2.0	-99.83	352.32	6.99	-92.84
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000507931	0	34	-2.0	-103.63	327.94	6.79	-96.84
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000507932	1	37	-2.0	-91.90	345.48	7.34	-84.56
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000507933	0	33	-2.0	-97.77	320.86	4.91	-92.86
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C=C1C	REAL300000507934	0	38	-2.0	-92.24	352.84	6.59	-85.65
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000507935	0	31	-2.0	-88.57	324.75	5.77	-82.80
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000507936	1	41	-2.0	-94.79	370.43	8.64	-86.15
CC1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000507937	1	41	-2.0	-96.66	368.73	8.66	-88.00
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C=C2C)C=C(C(=O)[O-])O1	REAL300000507938	0	37	-2.0	-94.77	346.76	6.78	-87.99
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1	REAL300000507939	0	39	-2.0	-102.61	352.73	3.11	-99.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC=C1F	REAL300000507940	0	32	-2.0	-119.39	300.80	4.55	-114.84
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCC2=C1	REAL300000507941	0	40	-2.0	-121.17	355.89	5.62	-115.55
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000507942	0	32	-2.0	-117.05	312.69	5.25	-111.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1	REAL300000507943	0	32	-2.0	-108.99	296.25	4.53	-104.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000507944	0	32	-2.0	-122.42	296.27	4.52	-117.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCC2=C1	REAL300000507945	0	36	-2.0	-128.50	324.41	4.33	-124.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC=C1Br	REAL300000507946	0	32	-2.0	-117.66	312.51	5.01	-112.65
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1	REAL300000507947	0	36	-2.0	-108.78	327.72	5.82	-102.96
CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1C(=O)[O-]	REAL300000507948	0	35	-2.0	-123.79	312.29	5.05	-118.74
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000507949	0	32	-2.0	-117.84	309.34	5.09	-112.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC=C1Cl	REAL300000507950	0	32	-2.0	-117.97	308.78	4.91	-113.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C(Cl)C=C1Cl	REAL300000507951	0	32	-2.0	-113.22	321.83	5.47	-107.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1C	REAL300000507952	0	38	-2.0	-125.26	329.37	5.85	-119.41
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000507953	0	32	-2.0	-119.88	301.75	4.58	-115.30
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1	REAL300000507954	0	38	-2.0	-108.25	339.83	6.11	-102.14
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000507955	0	29	-2.0	-116.28	289.45	3.55	-112.73
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCC2=C1	REAL300000507956	0	35	-2.0	-123.41	311.70	5.30	-118.11
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1	REAL300000507957	0	36	-2.0	-107.46	327.34	4.81	-102.65
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=NN4CCCC4=C3)C=C2)C1	REAL300000507958	0	43	-2.0	-104.19	373.10	5.59	-98.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C(Br)S1	REAL300000507959	0	29	-2.0	-113.00	306.45	4.30	-108.70
CN1C=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1C(=O)[O-]	REAL300000507960	0	33	-2.0	-120.64	302.91	3.88	-116.76
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCC2=C1	REAL300000507961	0	36	-2.0	-123.67	320.48	3.34	-120.33
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000507962	0	32	-2.0	-112.05	305.38	4.21	-107.84
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1C(=O)[O-]	REAL300000507963	0	38	-2.0	-124.82	327.72	5.84	-118.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CS1	REAL300000507964	0	29	-2.0	-117.88	287.92	3.54	-114.34
COC1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000507965	0	40	-2.0	-122.45	354.59	4.33	-118.12
COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1C(=O)[O-]	REAL300000507966	0	36	-2.0	-128.23	323.56	4.59	-123.64
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000507967	0	42	-2.0	-127.69	351.52	7.16	-120.53
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCC2=C1	REAL300000507968	0	41	-2.0	-125.91	350.17	6.53	-119.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCC2=C1	REAL300000507969	0	38	-2.0	-121.56	326.42	6.25	-115.31
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCC2=C1	REAL300000507970	0	39	-2.0	-129.33	346.70	5.09	-124.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC(C(=O)[O-])=C1	REAL300000507971	0	34	-3.0	-197.93	324.67	5.09	-192.84
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000507972	0	39	-2.0	-127.87	340.52	6.41	-121.46
CC1=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C(C(=O)[O-])O1	REAL300000507973	0	32	-2.0	-115.50	299.27	3.67	-111.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC2=C1OCCO2	REAL300000507974	0	38	-2.0	-127.14	338.44	4.29	-122.85
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000507975	0	36	-2.0	-123.28	325.25	3.61	-119.67
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NN4CCCC4=C3)C=C2C1	REAL300000507976	0	40	-2.0	-109.09	349.91	5.14	-103.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC(Cl)=C1Cl	REAL300000507977	0	32	-2.0	-111.41	323.94	5.37	-106.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C(Cl)C=C1F	REAL300000507978	0	32	-2.0	-114.09	313.86	5.11	-108.98
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1Cl	REAL300000507979	0	36	-2.0	-105.72	343.37	5.35	-100.37
CC1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC=C1OCC(=O)[O-]	REAL300000507980	0	39	-2.0	-107.96	347.42	5.51	-102.45
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1F	REAL300000507981	0	42	-2.0	-106.31	376.02	5.77	-100.54
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCC2=C1	REAL300000507982	0	35	-2.0	-113.35	316.98	5.34	-108.01
CC1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC=C1OCCCC(=O)[O-]	REAL300000507983	0	45	-2.0	-108.08	389.86	6.44	-101.64
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1F	REAL300000507984	0	36	-2.0	-106.58	333.56	4.87	-101.71
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1Cl	REAL300000507985	0	42	-2.0	-106.12	385.82	6.26	-99.86
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1C(=O)[O-]	REAL300000507986	0	39	-2.0	-128.96	345.40	5.50	-123.46
CC1=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C(C(=O)[O-])S1	REAL300000507987	0	32	-2.0	-119.46	304.89	4.41	-115.05
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000507988	0	32	-2.0	-111.27	324.50	5.54	-105.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C(Cl)=C1	REAL300000507989	0	32	-2.0	-106.32	309.32	5.08	-101.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C(Br)=C1	REAL300000507990	0	32	-2.0	-105.64	312.67	5.24	-100.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1F	REAL300000507991	0	32	-2.0	-108.15	300.80	4.56	-103.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)S1	REAL300000507992	0	29	-2.0	-110.78	288.52	3.65	-107.13
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000507993	0	32	-2.0	-112.77	302.67	4.59	-108.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1F	REAL300000507994	0	35	-2.0	-121.35	322.03	5.23	-116.12
COC1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000507995	0	36	-2.0	-110.83	336.58	5.15	-105.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C(F)=C1	REAL300000507996	0	32	-2.0	-108.56	301.73	4.59	-103.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1Cl	REAL300000507997	0	32	-2.0	-106.39	308.77	4.92	-101.47
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCC2=C1	REAL300000507998	0	35	-2.0	-115.11	325.71	5.72	-109.39
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1	REAL300000507999	0	40	-2.0	-105.36	360.00	5.93	-99.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1Br	REAL300000508000	0	32	-2.0	-106.02	312.51	5.02	-101.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC(F)=C1F	REAL300000508001	0	32	-2.0	-110.42	307.09	4.61	-105.81
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000508002	0	34	-2.0	-106.55	324.46	5.19	-101.36
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000508003	0	33	-2.0	-122.16	305.98	2.25	-119.91
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1	REAL300000508004	0	35	-2.0	-113.24	318.43	5.31	-107.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC(Cl)=C1F	REAL300000508005	0	32	-2.0	-112.02	316.97	5.05	-106.97
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN2CCCC2=C1	REAL300000508006	0	35	-2.0	-118.15	306.33	5.16	-112.99
CC1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC(C(=O)[O-])=C1F	REAL300000508007	0	35	-2.0	-120.79	321.10	5.17	-115.62
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN2CCCC2=C1	REAL300000508008	0	35	-2.0	-109.13	311.68	5.29	-103.84
CC1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC(C(=O)[O-])=C1C	REAL300000508009	0	38	-2.0	-127.05	333.06	5.69	-121.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000508010	0	34	-2.0	-119.55	322.84	5.62	-113.93
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000508011	0	32	-2.0	-111.05	308.00	4.65	-106.40
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)S1	REAL300000508012	0	29	-2.0	-108.40	308.85	4.21	-104.19
CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C(C)=C1C(=O)[O-]	REAL300000508013	0	38	-2.0	-122.46	330.74	5.91	-116.55
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1C(=O)[O-]	REAL300000508014	0	35	-2.0	-121.13	317.76	5.12	-116.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1Cl	REAL300000508015	0	35	-2.0	-119.70	328.03	5.66	-114.04
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000508016	0	35	-2.0	-127.26	321.30	5.21	-122.05
CCC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1C(=O)[O-]	REAL300000508017	0	38	-2.0	-124.58	330.23	5.71	-118.87
COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1CC(=O)[O-]	REAL300000508018	0	39	-2.0	-124.13	346.73	4.65	-119.48
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN2CCCC2=C1	REAL300000508019	0	35	-2.0	-111.21	322.53	5.71	-105.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1C(F)(F)F	REAL300000508020	0	35	-2.0	-105.28	326.40	5.34	-99.94
CC1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000508021	0	35	-2.0	-119.83	327.49	5.48	-114.35
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000508022	0	32	-2.0	-114.76	317.56	5.13	-109.63
CCN1C=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1C(=O)[O-]	REAL300000508023	0	36	-2.0	-121.94	324.29	4.74	-117.20
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C(C)=C1CC(=O)[O-]	REAL300000508024	0	44	-2.0	-121.92	361.18	7.38	-114.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C(F)C(Cl)=C1F	REAL300000508025	0	32	-2.0	-109.35	321.87	5.08	-104.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C(OC(F)(F)F)=C1	REAL300000508026	0	36	-2.0	-108.16	340.97	4.82	-103.34
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1C(=O)[O-]	REAL300000508027	0	35	-2.0	-115.54	326.13	5.49	-110.05
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C(C(=O)[O-])S1	REAL300000508028	0	41	-2.0	-118.91	345.70	6.62	-112.29
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1C(=O)[O-]	REAL300000508029	0	36	-2.0	-123.43	336.59	5.15	-118.28
CC1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC=C1C(=O)[O-]	REAL300000508030	0	35	-2.0	-110.76	316.34	5.17	-105.59
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C([N+](=O)[O-])=C1	REAL300000508031	0	37	-2.0	-114.99	339.53	6.72	-108.27
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCCC2=C1	REAL300000508032	0	35	-2.0	-120.24	316.22	5.34	-114.90
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1[N+](=O)[O-]	REAL300000508033	0	34	-2.0	-129.48	319.99	6.38	-123.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1F	REAL300000508034	0	32	-2.0	-126.47	299.93	4.56	-121.91
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C1C(=O)[O-]	REAL300000508035	0	35	-2.0	-113.73	317.43	5.09	-108.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC2=CC=CC=C21	REAL300000508036	0	38	-2.0	-130.95	337.31	6.65	-124.30
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000508037	0	31	-2.0	-120.15	292.49	2.65	-117.50
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN2CCCC2=C1	REAL300000508038	0	36	-2.0	-113.78	324.47	4.33	-109.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C(Cl)O1	REAL300000508039	0	29	-2.0	-109.13	296.41	3.50	-105.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=CC=C1OC(F)(F)F	REAL300000508040	0	36	-2.0	-117.17	340.05	5.07	-112.10
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN3CCCC3=C2)=C1	REAL300000508041	0	35	-2.0	-112.80	339.63	1.56	-111.24
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN4CCCC4=C3)C=C2)CC1	REAL300000508042	0	39	-2.0	-116.15	342.39	6.41	-109.74
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN4CCCC4=C3)C=C2C1	REAL300000508043	0	39	-2.0	-120.03	341.70	6.41	-113.62
CCC1=C(S(=O)(=O)[N-]C2=NN3CCCC3=C2)C=C(C(=O)[O-])O1	REAL300000508044	0	35	-2.0	-115.34	318.41	4.52	-110.82
COC1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C2=C1	REAL300000508072	0	39	-2.0	-116.61	350.91	6.84	-109.77
COC1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000508097	0	37	-2.0	-116.10	320.97	4.94	-111.16
CC1=CC(Br)=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000508134	0	28	-2.0	-104.20	302.65	5.47	-98.73
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC(Br)=C2F)C=C(C(=O)[O-])O1	REAL300000508137	1	31	-2.0	-104.24	312.46	5.59	-98.65
CC1=CC(Br)=C(F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000508138	1	28	-2.0	-98.95	301.71	5.58	-93.37
CC1=CC(Br)=C(F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000508139	0	30	-2.0	-107.65	305.67	4.57	-103.08
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000508140	0	36	-2.0	-82.83	332.39	2.30	-80.53
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000508141	0	29	-2.0	-97.85	280.46	3.75	-94.10
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1C	REAL300000508142	0	37	-2.0	-99.58	335.55	4.80	-94.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1C	REAL300000508143	0	33	-2.0	-105.28	304.07	3.51	-101.77
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000508144	0	29	-2.0	-95.44	292.17	4.20	-91.24
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000508145	0	33	-2.0	-88.44	307.38	5.01	-83.43
CC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2C)C=C1C(=O)[O-]	REAL300000508146	0	32	-2.0	-100.63	291.95	4.25	-96.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CN=C2C)=C1C	REAL300000508147	0	35	-2.0	-103.22	309.03	5.05	-98.17
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000508148	0	29	-2.0	-97.33	281.40	3.78	-93.55
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000508149	0	35	-2.0	-87.65	319.49	5.31	-82.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1C	REAL300000508150	0	32	-2.0	-101.53	291.36	4.50	-97.03
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000508151	0	33	-2.0	-87.06	307.00	4.00	-83.06
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000508152	0	40	-2.0	-83.69	352.78	4.77	-78.92
CC1=NC=NC=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000508153	0	26	-2.0	-91.95	286.14	3.51	-88.44
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1C	REAL300000508154	0	33	-2.0	-102.35	299.71	2.55	-99.80
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=CN=C2C)=C1	REAL300000508155	0	29	-2.0	-90.60	285.06	3.40	-87.20
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=CN=C2C)C=C1C(=O)[O-]	REAL300000508156	0	35	-2.0	-103.88	311.38	5.14	-98.74
COC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2C)=CC(C(=O)[O-])=C1OC	REAL300000508157	0	37	-2.0	-100.13	334.23	3.53	-96.60
COC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2C)C=C1C(=O)[O-]	REAL300000508158	0	33	-2.0	-105.73	303.22	3.78	-101.95
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000508159	0	39	-2.0	-104.83	331.17	6.34	-98.49
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000508160	0	38	-2.0	-103.49	329.82	5.73	-97.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1C	REAL300000508161	0	35	-2.0	-100.29	305.95	5.45	-94.84
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1C	REAL300000508162	0	36	-2.0	-105.23	326.36	4.28	-100.95
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000508163	0	31	-3.0	-172.00	304.33	4.28	-167.72
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000508164	0	36	-2.0	-105.14	320.17	5.60	-99.54
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000508165	0	35	-2.0	-104.43	318.09	3.49	-100.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=CN=C2C)=C1	REAL300000508166	0	33	-2.0	-100.64	304.91	2.80	-97.84
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000508167	0	37	-2.0	-87.35	328.84	4.32	-83.03
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000508168	0	29	-2.0	-89.83	303.60	4.57	-85.26
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000508169	0	33	-2.0	-85.85	323.03	4.54	-81.31
CC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2C)=CC=C1OCC(=O)[O-]	REAL300000508170	0	36	-2.0	-87.41	327.08	4.71	-82.70
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000508171	0	39	-2.0	-87.14	355.68	4.97	-82.17
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000508172	0	32	-2.0	-92.29	296.64	4.53	-87.76
CC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2C)=CC=C1OCCCC(=O)[O-]	REAL300000508173	0	42	-2.0	-87.96	369.54	5.64	-82.32
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000508174	0	33	-2.0	-86.82	313.23	4.06	-82.76
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000508175	0	39	-2.0	-86.79	365.48	5.45	-81.34
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2C)C=C1C(=O)[O-]	REAL300000508176	0	36	-2.0	-106.26	325.06	4.69	-101.57
CC1=C(S(=O)(=O)[N-]C2=CN=CN=C2C)C=C(C(=O)[O-])S1	REAL300000508177	0	29	-2.0	-98.27	284.55	3.61	-94.66
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000508178	0	29	-2.0	-90.08	304.15	4.73	-85.35
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000508179	0	29	-2.0	-85.87	288.98	4.28	-81.59
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000508180	0	29	-2.0	-85.51	292.33	4.42	-81.09
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000508181	0	29	-2.0	-87.98	280.45	3.76	-84.22
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000508182	0	29	-2.0	-91.12	282.33	3.78	-87.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CN=C2C)=C1F	REAL300000508183	0	32	-2.0	-98.36	301.67	4.41	-93.95
COC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000508184	0	33	-2.0	-90.39	316.23	4.34	-86.05
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000508185	0	29	-2.0	-87.17	281.39	3.79	-83.38
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000508186	0	29	-2.0	-85.88	288.43	4.12	-81.76
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000508187	0	32	-2.0	-93.90	305.37	4.92	-88.98
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000508188	0	32	-2.0	-89.61	306.76	5.00	-84.61
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000508189	0	37	-2.0	-85.61	339.66	5.13	-80.48
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000508190	0	29	-2.0	-85.41	292.16	4.21	-81.20
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000508191	0	31	-2.0	-85.44	304.11	4.39	-81.05
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000508192	0	30	-2.0	-100.70	285.64	1.42	-99.28
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000508193	0	32	-2.0	-93.46	309.81	4.78	-88.68
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000508194	0	32	-2.0	-91.82	298.10	4.50	-87.32
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000508195	0	29	-2.0	-90.98	296.63	4.25	-86.73
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000508196	0	32	-2.0	-95.60	285.97	4.36	-91.24
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000508197	0	32	-2.0	-94.43	309.40	5.01	-89.42
CC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2C)=CC(C(=O)[O-])=C1F	REAL300000508198	0	32	-2.0	-98.90	300.76	4.37	-94.53
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=CN=C1C	REAL300000508199	0	32	-2.0	-88.66	291.34	4.50	-84.16
CC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2C)=CC(C(=O)[O-])=C1C	REAL300000508200	0	35	-2.0	-102.35	308.80	4.78	-97.57
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000508201	0	31	-2.0	-98.94	302.50	4.81	-94.13
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000508202	0	29	-2.0	-89.09	287.66	3.84	-85.25
CC1=NC=NC=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000508203	0	26	-2.0	-87.49	288.51	3.40	-84.09
CC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2C)C(C)=C1C(=O)[O-]	REAL300000508204	0	35	-2.0	-99.91	309.46	5.12	-94.79
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=CN=C2C)C=C1C(=O)[O-]	REAL300000508205	0	32	-2.0	-99.28	301.24	4.41	-94.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CN=C2C)=C1Cl	REAL300000508206	0	32	-2.0	-97.59	307.70	4.85	-92.74
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=CN=C2C)=C1	REAL300000508207	0	32	-2.0	-103.46	300.94	4.41	-99.05
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2C)C=C1C(=O)[O-]	REAL300000508208	0	35	-2.0	-101.32	310.25	4.90	-96.42
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000508209	0	29	-2.0	-92.94	296.87	4.45	-88.49
COC1=CC=C(S(=O)(=O)[N-]C2=CN=CN=C2C)C=C1CC(=O)[O-]	REAL300000508210	0	36	-2.0	-101.60	326.40	3.85	-97.75
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000508211	0	32	-2.0	-89.24	302.19	4.90	-84.34
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000508212	0	32	-2.0	-84.91	306.06	4.52	-80.39
CC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000508213	0	32	-2.0	-97.50	307.15	4.67	-92.83
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000508214	0	29	-2.0	-92.81	297.22	4.33	-88.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CN=C2C)=C1Br	REAL300000508215	0	32	-2.0	-97.28	310.52	4.99	-92.29
CCN1C=C(S(=O)(=O)[N-]C2=CN=CN=C2C)C=C1C(=O)[O-]	REAL300000508216	0	33	-2.0	-99.39	303.95	3.94	-95.45
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=CN=C2C)C(C)=C1CC(=O)[O-]	REAL300000508217	0	41	-2.0	-99.43	341.08	6.59	-92.84
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000508218	0	29	-2.0	-88.23	301.54	4.27	-83.96
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000508219	0	33	-2.0	-87.03	320.63	4.01	-83.02
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000508220	0	32	-2.0	-93.03	305.79	4.68	-88.35
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=CN=C2C)C=C1C(=O)[O-]	REAL300000508221	0	33	-2.0	-101.67	316.25	4.35	-97.32
CC1=CC(S(=O)(=O)[N-]C2=CN=CN=C2C)=CC=C1C(=O)[O-]	REAL300000508222	0	32	-2.0	-89.67	296.00	4.36	-85.31
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000508223	0	34	-2.0	-92.67	319.18	5.91	-86.76
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CN=C1C	REAL300000508224	0	32	-2.0	-99.31	295.88	4.53	-94.78
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000508225	0	31	-2.0	-106.26	299.67	5.56	-100.70
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000508226	0	29	-2.0	-103.10	279.56	3.74	-99.36
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000508227	0	32	-2.0	-91.45	297.09	4.29	-87.16
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000508228	0	35	-2.0	-107.55	316.97	5.84	-101.71
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=CN=C1C	REAL300000508229	0	33	-2.0	-91.95	304.13	3.51	-88.44
CC1=NC=NC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000508230	0	26	-2.0	-88.42	276.03	2.68	-85.74
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000508231	0	33	-2.0	-95.53	319.71	4.27	-91.26
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000508232	0	32	-2.0	-90.81	319.25	0.76	-90.05
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000508233	0	36	-2.0	-94.76	322.05	5.60	-89.16
CC1=NC=NC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000508234	0	36	-2.0	-96.31	320.01	5.59	-90.72
CCC1=C(S(=O)(=O)[N-]C2=CN=CN=C2C)C=C(C(=O)[O-])O1	REAL300000508235	0	32	-2.0	-94.61	298.05	3.70	-90.91
CC(C)OC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000508252	0	46	-2.0	-112.11	381.47	7.14	-104.97
CN1N=NC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C(F)F	REAL300000508262	0	37	-2.0	-89.94	355.67	1.80	-88.14
CN1N=NC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C(F)F	REAL300000508263	0	30	-2.0	-111.03	299.77	3.20	-107.83
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=N1	REAL300000508264	0	38	-2.0	-107.30	358.84	4.32	-102.98
CN1N=NC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C(F)F	REAL300000508265	0	30	-2.0	-95.21	299.20	3.22	-91.99
CN1N=NC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C(F)F	REAL300000508266	0	30	-2.0	-111.21	295.21	3.18	-108.03
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=N1	REAL300000508267	0	34	-2.0	-113.30	327.36	3.03	-110.27
CN1N=NC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C(F)F	REAL300000508268	0	34	-2.0	-95.70	330.66	4.51	-91.19
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C1C(=O)[O-]	REAL300000508269	0	33	-2.0	-114.65	311.23	3.71	-110.94
CN1N=NC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C(F)F	REAL300000508270	0	30	-2.0	-103.69	312.29	3.80	-99.89
CN1N=NC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C(F)F	REAL300000508271	0	30	-2.0	-109.31	307.74	3.57	-105.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)=C1C	REAL300000508272	0	36	-2.0	-114.92	329.09	4.55	-110.37
CN1N=NC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C(F)F	REAL300000508273	0	30	-2.0	-104.96	304.70	3.28	-101.68
CN1N=NC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C(F)F	REAL300000508274	0	36	-2.0	-94.95	342.79	4.80	-90.15
CN1N=NC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C(F)F	REAL300000508275	0	27	-2.0	-101.75	292.41	2.24	-99.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=N1	REAL300000508276	0	33	-2.0	-109.36	314.65	4.00	-105.36
CN1N=NC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C(F)F	REAL300000508277	0	34	-2.0	-94.23	330.28	3.50	-90.73
CN1C=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C1C(=O)[O-]	REAL300000508278	0	31	-2.0	-105.64	305.85	2.57	-103.07
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=N1	REAL300000508279	0	34	-2.0	-109.72	323.42	2.03	-107.69
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)=C1	REAL300000508280	0	30	-2.0	-103.28	305.53	2.89	-100.39
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C1C(=O)[O-]	REAL300000508281	0	36	-2.0	-114.16	327.88	4.51	-109.65
CN1N=NC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C(F)F	REAL300000508282	0	27	-2.0	-109.09	286.87	2.22	-106.87
COC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)=CC(C(=O)[O-])=C1OC	REAL300000508283	0	38	-2.0	-111.50	353.53	2.98	-108.52
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C1C(=O)[O-]	REAL300000508284	0	34	-2.0	-119.38	322.51	3.24	-116.14
CN1N=NC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C(F)F	REAL300000508285	0	40	-2.0	-116.66	351.66	5.83	-110.83
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=N1	REAL300000508286	0	39	-2.0	-114.97	350.32	5.20	-109.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=N1	REAL300000508287	0	36	-2.0	-111.17	321.95	4.77	-106.40
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=N1	REAL300000508288	0	37	-2.0	-113.01	349.65	3.79	-109.22
CN1N=NC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C(F)F	REAL300000508289	0	32	-3.0	-185.95	323.62	3.75	-182.20
CN1N=NC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C(F)F	REAL300000508290	0	37	-2.0	-116.90	340.67	5.09	-111.81
CC1=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C(C(=O)[O-])O1	REAL300000508291	0	30	-2.0	-105.71	298.22	2.33	-103.38
CN1N=NC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C(F)F	REAL300000508292	0	36	-2.0	-111.90	341.38	2.99	-108.91
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)=C1	REAL300000508293	0	34	-2.0	-114.04	325.41	2.29	-111.75
CN1N=NC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1C(F)F	REAL300000508294	0	38	-2.0	-99.29	348.85	3.80	-95.49
CN1N=NC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1C(F)F	REAL300000508295	0	30	-2.0	-100.60	316.81	3.82	-96.78
CN1N=NC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1C(F)F	REAL300000508296	0	34	-2.0	-97.35	342.32	4.00	-93.35
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)=CC=C1OCC(=O)[O-]	REAL300000508297	0	37	-2.0	-99.03	346.38	4.16	-94.87
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=N1	REAL300000508298	0	33	-2.0	-103.61	317.13	4.01	-99.60
CN1N=NC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C(F)F	REAL300000508299	0	34	-2.0	-98.36	332.52	3.52	-94.84
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C1C(=O)[O-]	REAL300000508300	0	37	-2.0	-120.07	344.37	4.15	-115.92
CC1=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C(C(=O)[O-])S1	REAL300000508301	0	30	-2.0	-109.20	306.12	3.09	-106.11
CN1N=NC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C(F)F	REAL300000508302	0	30	-2.0	-92.83	312.26	3.78	-89.05
CN1N=NC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C(F)F	REAL300000508303	0	30	-2.0	-99.25	299.75	3.21	-96.04
CN1N=NC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C(F)F	REAL300000508304	0	27	-2.0	-96.85	291.47	2.35	-94.50
CN1N=NC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C(F)F	REAL300000508305	0	30	-2.0	-104.03	301.62	3.24	-100.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)=C1F	REAL300000508306	0	33	-2.0	-110.81	322.18	3.90	-106.91
COC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)=C(Cl)C=C1C(=O)[O-]	REAL300000508307	0	34	-2.0	-97.31	339.52	3.84	-93.47
CN1N=NC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(F)F	REAL300000508308	0	30	-2.0	-94.26	304.67	3.28	-90.98
CN1N=NC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C(F)F	REAL300000508309	0	30	-2.0	-97.40	307.72	3.58	-93.82
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=N1	REAL300000508310	0	33	-2.0	-105.24	325.87	4.39	-100.85
CN1N=NC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C(F)F	REAL300000508311	0	38	-2.0	-92.72	362.95	4.63	-88.09
CN1N=NC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C(F)F	REAL300000508312	0	30	-2.0	-100.56	306.03	3.27	-97.29
CN1N=NC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(F)F	REAL300000508313	0	32	-2.0	-98.07	323.40	3.84	-94.23
CN1N=NC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C(F)F	REAL300000508314	0	31	-2.0	-108.57	308.93	0.95	-107.62
CN1N=NC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C(F)F	REAL300000508315	0	33	-2.0	-99.43	321.39	4.00	-95.43
CN1N=NC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C(F)F	REAL300000508316	0	30	-2.0	-102.00	315.92	3.70	-98.30
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=N1	REAL300000508317	0	33	-2.0	-102.81	309.29	3.85	-98.96
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)=CC(C(=O)[O-])=C1F	REAL300000508318	0	33	-2.0	-112.26	320.05	3.82	-108.44
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=N1	REAL300000508319	0	33	-2.0	-95.80	314.62	3.98	-91.82
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)=CC(C(=O)[O-])=C1C	REAL300000508320	0	36	-2.0	-114.05	328.68	4.26	-109.79
CN1N=NC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C(F)F	REAL300000508321	0	32	-2.0	-111.95	321.78	4.27	-107.68
CN1N=NC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C(F)F	REAL300000508322	0	30	-2.0	-101.30	308.16	3.32	-97.98
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C(C)=C1C(=O)[O-]	REAL300000508323	0	36	-2.0	-106.93	333.69	4.61	-102.32
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C1C(=O)[O-]	REAL300000508324	0	33	-2.0	-105.97	320.71	3.81	-102.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)=C1Cl	REAL300000508325	0	33	-2.0	-109.53	328.19	4.33	-105.20
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)=C1	REAL300000508326	0	33	-2.0	-117.71	321.44	3.88	-113.83
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C1C(=O)[O-]	REAL300000508327	0	36	-2.0	-115.35	329.54	4.36	-110.99
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C1CC(=O)[O-]	REAL300000508328	0	37	-2.0	-115.27	345.69	3.30	-111.97
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=N1	REAL300000508329	0	33	-2.0	-102.30	322.69	4.38	-97.92
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)=CC(C(=O)[O-])=C1Cl	REAL300000508330	0	33	-2.0	-111.03	326.44	4.14	-106.89
CCN1C=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C1C(=O)[O-]	REAL300000508331	0	34	-2.0	-106.87	327.23	3.43	-103.44
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C(C)=C1CC(=O)[O-]	REAL300000508332	0	42	-2.0	-113.06	360.36	6.05	-107.01
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C1C(=O)[O-]	REAL300000508333	0	33	-2.0	-104.67	325.08	4.14	-100.53
CN1N=NC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1C(F)F	REAL300000508334	0	39	-2.0	-108.69	343.10	5.22	-103.47
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C1C(=O)[O-]	REAL300000508335	0	34	-2.0	-109.31	339.54	3.85	-105.46
CC1=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)=CC=C1C(=O)[O-]	REAL300000508336	0	33	-2.0	-100.00	311.22	3.73	-96.27
CN1N=NC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1C(F)F	REAL300000508337	0	35	-2.0	-104.91	339.68	5.40	-99.51
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=N1	REAL300000508338	0	33	-2.0	-106.91	319.17	4.04	-102.87
CN1N=NC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C(F)F	REAL300000508339	0	32	-2.0	-120.15	320.16	5.06	-115.09
CN1N=NC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C(F)F	REAL300000508340	0	30	-2.0	-110.19	302.88	3.25	-106.94
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C1C(=O)[O-]	REAL300000508341	0	33	-2.0	-103.10	316.38	3.74	-99.36
CN1N=NC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C(F)F	REAL300000508342	0	36	-2.0	-115.09	340.25	5.33	-109.76
CN1N=NC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C(F)F	REAL300000508343	0	29	-2.0	-109.51	292.65	1.33	-108.18
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=N1	REAL300000508344	0	34	-2.0	-99.25	327.41	3.03	-96.22
CN1N=NC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C(F)F	REAL300000508345	0	27	-2.0	-100.12	296.57	2.18	-97.94
CN1N=NC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C(F)F	REAL300000508346	0	37	-2.0	-102.25	345.33	5.10	-97.15
CN1N=NC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C(F)F	REAL300000508347	0	37	-2.0	-104.12	344.65	5.10	-99.02
CCC1=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=N2)C=C(C(=O)[O-])O1	REAL300000508348	0	33	-2.0	-102.03	321.33	3.22	-98.81
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC(Cl)=CC=C32)=CC(C(=O)[O-])=C1	REAL300000508376	0	35	-2.0	-108.82	338.17	8.06	-100.76
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC(Cl)=CC=C32)=C1	REAL300000508399	0	33	-2.0	-106.36	311.40	6.16	-100.20
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000508433	1	42	-2.0	-89.56	378.36	5.47	-84.09
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000508434	1	35	-2.0	-106.37	326.24	6.91	-99.46
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000508435	0	43	-2.0	-107.33	381.32	7.97	-99.36
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=C1	REAL300000508436	0	35	-2.0	-103.56	338.30	7.60	-95.96
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000508437	1	35	-2.0	-96.09	321.87	6.89	-89.20
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000508438	1	35	-2.0	-108.98	321.70	6.88	-102.10
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000508439	0	39	-2.0	-114.43	350.02	6.68	-107.75
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000508440	1	35	-2.0	-104.36	337.96	7.37	-96.99
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000508441	1	39	-2.0	-95.69	353.34	8.18	-87.51
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000508442	1	38	-2.0	-110.28	337.89	7.42	-102.86
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000508443	0	35	-2.0	-104.24	334.95	7.46	-96.78
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000508444	1	35	-2.0	-104.79	334.22	7.27	-97.52
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000508445	0	35	-2.0	-99.82	347.27	7.83	-91.99
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000508446	1	41	-2.0	-111.77	354.38	8.24	-103.53
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000508447	0	35	-2.0	-106.11	327.35	6.95	-99.16
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000508448	1	41	-2.0	-94.96	365.29	8.46	-86.50
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000508449	0	32	-2.0	-102.87	315.06	5.90	-96.97
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000508450	1	38	-2.0	-109.51	337.31	7.68	-101.83
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000508452	0	36	-2.0	-107.16	328.52	6.24	-100.92
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000508454	0	35	-2.0	-99.13	330.98	6.56	-92.57
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000508456	0	32	-2.0	-104.49	313.35	5.91	-98.58
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000508457	1	43	-2.0	-109.43	380.02	6.69	-102.74
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000508459	1	45	-2.0	-113.60	377.12	9.51	-104.09
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000508460	1	44	-2.0	-111.96	375.61	8.89	-103.07
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000508461	1	41	-2.0	-107.76	352.04	8.61	-99.15
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000508462	0	42	-2.0	-114.26	372.31	7.44	-106.82
C=C(C)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000508463	0	38	-2.0	-109.21	357.08	7.31	-101.90
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000508463	1	37	-3.0	-184.52	350.28	7.45	-177.07
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000508464	1	42	-2.0	-113.96	366.14	8.79	-105.17
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000508465	0	35	-2.0	-102.33	324.91	6.03	-96.30
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000508466	1	41	-2.0	-113.71	363.88	6.65	-107.06
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000508467	0	39	-2.0	-110.42	350.79	5.98	-104.44
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000508469	1	35	-2.0	-98.42	349.65	7.74	-90.68
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000508470	0	35	-2.0	-100.73	339.47	7.48	-93.25
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000508471	1	39	-2.0	-92.83	369.08	7.70	-85.13
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000508473	1	45	-2.0	-93.32	401.62	8.13	-85.19
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000508474	1	38	-2.0	-99.97	342.41	7.70	-92.27
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000508476	1	39	-2.0	-93.71	359.18	7.22	-86.49
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000508478	1	35	-2.0	-105.65	331.56	6.78	-98.87
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000508479	0	35	-2.0	-97.96	349.92	7.90	-90.06
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000508480	0	35	-2.0	-93.63	335.03	7.45	-86.18
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=C1	REAL300000508481	0	35	-2.0	-93.06	338.38	7.59	-85.47
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000508482	1	35	-2.0	-95.53	326.23	6.92	-88.61
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000508483	0	32	-2.0	-97.90	314.24	6.01	-91.89
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000508484	1	35	-2.0	-99.55	328.28	6.95	-92.60
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000508485	0	38	-2.0	-107.63	347.46	7.59	-100.04
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000508486	0	39	-2.0	-98.31	362.01	7.50	-90.81
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000508487	0	35	-2.0	-95.69	327.44	6.96	-88.73
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000508488	1	35	-2.0	-93.64	334.20	7.28	-86.36
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000508489	1	38	-2.0	-101.59	351.32	8.10	-93.49
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000508490	1	43	-2.0	-92.39	385.45	8.29	-84.10
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000508491	1	35	-2.0	-93.26	337.93	7.38	-85.88
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000508492	1	35	-2.0	-97.68	332.79	6.98	-90.70
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000508493	0	37	-2.0	-93.62	349.90	7.54	-86.08
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000508494	0	36	-2.0	-108.42	331.40	4.61	-103.81
C=C(C)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000508494	1	36	-2.0	-105.62	330.69	5.47	-100.15
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000508495	1	38	-2.0	-99.84	344.06	7.66	-92.18
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000508496	1	35	-2.0	-99.20	342.68	7.42	-91.78
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000508497	1	38	-2.0	-105.26	332.04	7.53	-97.73
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000508498	1	38	-2.0	-107.49	346.71	7.54	-99.95
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000508500	1	41	-2.0	-113.72	358.50	8.05	-105.67
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000508501	0	37	-2.0	-106.77	348.55	7.99	-98.78
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000508502	0	35	-2.0	-97.67	333.45	7.01	-90.66
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000508504	0	38	-2.0	-108.44	347.19	7.58	-100.86
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000508505	0	38	-2.0	-106.11	353.46	8.02	-98.09
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000508506	0	38	-2.0	-114.22	346.91	7.58	-106.64
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000508507	1	41	-2.0	-110.81	355.81	8.07	-102.74
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000508509	1	38	-2.0	-98.39	348.24	8.06	-90.33
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000508510	1	38	-2.0	-92.58	351.99	7.70	-84.88
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000508511	1	38	-2.0	-106.58	353.10	7.85	-98.73
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000508512	1	35	-2.0	-101.52	343.18	7.50	-94.02
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000508513	0	39	-2.0	-108.65	350.01	7.10	-101.55
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000508515	0	35	-2.0	-96.15	347.31	7.44	-88.71
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000508516	1	38	-2.0	-103.55	355.44	7.95	-95.60
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000508517	0	44	-2.0	-105.50	371.14	9.02	-96.48
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000508518	0	39	-2.0	-109.79	362.20	7.52	-102.27
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000508519	1	38	-2.0	-96.29	337.88	7.43	-88.86
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000508520	0	40	-2.0	-101.68	364.97	9.07	-92.61
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000508522	0	37	-2.0	-116.58	345.43	8.74	-107.84
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000508523	0	35	-2.0	-113.32	325.53	6.92	-106.40
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000508524	1	38	-2.0	-101.53	346.81	7.56	-93.97
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000508525	1	41	-2.0	-117.50	362.92	9.01	-108.49
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000508526	0	34	-2.0	-105.98	318.69	4.94	-101.04
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000508527	0	39	-2.0	-100.63	349.90	6.69	-93.94
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000508528	0	32	-2.0	-96.23	322.12	5.86	-90.37
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000508529	1	42	-2.0	-102.82	368.10	8.77	-94.05
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000508530	1	42	-2.0	-106.80	367.14	8.76	-98.04
C=C(C)C1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000508531	0	38	-2.0	-102.41	344.15	6.88	-95.53
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000508532	1	34	-2.0	-100.67	337.34	6.09	-94.58
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300000508533	1	34	-2.0	-91.06	332.78	6.07	-84.99
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000508534	1	34	-2.0	-102.92	332.79	6.06	-96.86
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1Cl	REAL300000508535	0	38	-2.0	-103.98	360.94	5.87	-98.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1Cl	REAL300000508536	1	38	-2.0	-91.05	364.25	7.35	-83.70
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000508537	1	37	-2.0	-105.16	352.86	6.71	-98.45
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1Cl	REAL300000508538	1	40	-2.0	-101.96	365.47	7.41	-94.55
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000508539	0	34	-2.0	-100.45	338.21	6.12	-94.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300000508540	1	40	-2.0	-90.16	376.37	7.65	-82.51
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000508541	0	31	-2.0	-97.41	325.98	5.08	-92.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1Cl	REAL300000508542	1	37	-2.0	-100.06	348.23	6.85	-93.21
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1Cl	REAL300000508543	1	38	-2.0	-89.68	363.87	6.34	-83.34
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000508544	0	35	-2.0	-101.22	339.44	5.41	-95.81
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1Cl	REAL300000508545	1	38	-2.0	-105.27	356.94	4.87	-100.40
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1Cl	REAL300000508546	0	34	-2.0	-90.33	341.91	5.75	-84.58
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1Cl	REAL300000508547	1	40	-2.0	-101.37	363.86	7.41	-93.96
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000508548	0	31	-2.0	-98.71	324.39	5.10	-93.61
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1Cl	REAL300000508549	1	38	-2.0	-108.69	360.07	6.13	-102.56
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC)C(Cl)=C1	REAL300000508550	1	40	-2.0	-103.69	362.88	7.78	-95.91
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000508551	0	34	-2.0	-97.76	335.74	5.20	-92.56
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000508552	0	38	-2.0	-100.69	361.78	5.15	-95.54
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300000508553	0	34	-2.0	-101.38	341.39	5.96	-95.42
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000508554	1	34	-2.0	-90.78	337.32	6.10	-84.68
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000508555	0	31	-2.0	-92.56	325.06	5.19	-87.37
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000508556	0	34	-2.0	-94.02	339.20	6.13	-87.89
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000508557	0	34	-2.0	-90.12	338.25	6.13	-83.99
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000508558	0	35	-2.0	-104.05	342.51	3.77	-100.28
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000508559	1	37	-2.0	-94.33	354.97	6.84	-87.49
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000508560	1	37	-2.0	-98.59	342.80	6.69	-91.90
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000508561	1	37	-2.0	-91.66	348.21	6.84	-84.82
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000508562	1	40	-2.0	-105.58	365.68	7.13	-98.45
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1Cl	REAL300000508563	1	40	-2.0	-100.27	367.27	7.46	-92.81
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000508564	1	40	-2.0	-104.50	367.03	7.25	-97.25
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000508565	0	38	-2.0	-102.34	360.76	6.28	-96.06
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1Cl	REAL300000508566	1	37	-2.0	-91.06	348.80	6.60	-84.46
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000508567	0	34	-2.0	-103.68	336.45	6.09	-97.59
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000508568	0	33	-2.0	-95.93	329.78	4.12	-91.81
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1Cl	REAL300000508569	0	38	-2.0	-91.65	361.00	5.86	-85.79
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000508570	0	31	-2.0	-91.46	332.88	5.04	-86.42
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000508571	0	37	-2.0	-97.84	354.87	6.05	-91.79
O=C([O-])C1=CC(S(=O)(=O)N2CC3(CC3)OC3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000508596	0	40	-2.0	-110.52	353.80	7.53	-102.99
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC3(CC3)OC3=CC=CC=C32)=C1	REAL300000508616	0	38	-2.0	-107.89	331.40	5.83	-102.06
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CN=C1C(F)F	REAL300000508647	0	40	-2.0	-84.21	367.01	3.16	-81.05
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508648	0	33	-2.0	-99.71	315.09	4.60	-95.11
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)F)C(C)=C1	REAL300000508649	0	41	-2.0	-105.26	369.32	5.74	-99.52
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CN=C1C(F)F	REAL300000508650	0	33	-2.0	-89.98	310.55	4.58	-85.40
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508651	0	33	-2.0	-101.95	310.55	4.57	-97.38
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)F)C(C)=C1	REAL300000508652	0	37	-2.0	-111.75	337.84	4.46	-107.29
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CN=C1C(F)F	REAL300000508653	0	37	-2.0	-90.14	342.00	5.87	-84.27
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000508654	0	36	-2.0	-103.02	326.57	5.10	-97.92
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CN=C1C(F)F	REAL300000508655	0	33	-2.0	-102.00	322.77	5.23	-96.77
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508656	0	33	-2.0	-97.97	323.06	4.97	-93.00
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CN=C1C(F)F	REAL300000508657	0	39	-2.0	-109.67	342.37	6.00	-103.67
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CN=C1C(F)F	REAL300000508658	0	33	-2.0	-103.36	315.18	4.72	-98.64
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CN=C1C(F)F	REAL300000508659	0	39	-2.0	-89.27	354.12	6.15	-83.12
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CN=C1C(F)F	REAL300000508660	0	30	-2.0	-100.15	302.89	3.68	-96.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)F)C(C)=C1	REAL300000508661	0	36	-2.0	-107.56	325.13	5.44	-102.12
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CN=C1C(F)F	REAL300000508662	0	37	-2.0	-88.73	341.62	4.85	-83.88
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508663	0	34	-2.0	-100.37	317.20	3.93	-96.44
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)F)C(C)=C1	REAL300000508664	1	37	-2.0	-107.98	333.91	3.48	-104.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)=C1	REAL300000508665	0	33	-2.0	-95.88	318.81	4.33	-91.55
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000508666	0	39	-2.0	-109.15	340.77	6.00	-103.15
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508667	0	30	-2.0	-97.87	302.20	3.61	-94.26
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000508668	0	37	-2.0	-107.85	337.83	4.65	-103.20
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CN=C1C(F)F	REAL300000508669	0	43	-2.0	-111.29	364.93	7.30	-103.99
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CN=C1C(F)F	REAL300000508670	0	42	-2.0	-109.84	363.60	6.67	-103.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)F)C(C)=C1	REAL300000508671	0	39	-2.0	-106.28	339.82	6.39	-99.89
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)F)C(C)=C1	REAL300000508672	0	40	-2.0	-111.74	360.13	5.21	-106.53
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508673	0	35	-3.0	-175.35	338.96	5.15	-170.20
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508673	1	36	-2.0	-108.63	341.35	5.14	-103.49
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CN=C1C(F)F	REAL300000508674	0	40	-2.0	-111.55	353.94	6.56	-104.99
CC1=C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000508675	0	33	-2.0	-100.32	312.70	3.80	-96.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)=C1	REAL300000508676	0	37	-2.0	-106.08	338.68	3.75	-102.33
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=CN=C1C(F)F	REAL300000508677	0	41	-2.0	-89.15	363.48	5.17	-83.98
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CN=C1C(F)F	REAL300000508678	0	33	-2.0	-98.75	327.29	5.25	-93.50
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)=CC=C1OCC(=O)[O-]	REAL300000508679	0	40	-2.0	-89.16	361.72	5.55	-83.61
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CN=C1C(F)F	REAL300000508680	0	36	-2.0	-98.04	330.42	5.47	-92.57
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CN=C1C(F)F	REAL300000508681	0	37	-2.0	-88.41	347.86	4.91	-83.50
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000508682	0	40	-2.0	-108.49	359.69	5.56	-102.93
CC1=C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000508683	0	33	-2.0	-103.96	318.30	4.55	-99.41
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CN=C1C(F)F	REAL300000508684	0	33	-2.0	-90.97	322.75	5.22	-85.75
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CN=C1C(F)F	REAL300000508685	0	33	-2.0	-89.68	315.07	4.62	-85.06
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CN=C1C(F)F	REAL300000508686	0	30	-2.0	-94.81	301.97	3.78	-91.03
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508687	0	33	-2.0	-93.02	316.96	4.64	-88.38
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CN=C1C(F)F	REAL300000508688	0	36	-2.0	-104.70	335.45	5.35	-99.35
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CN=C1C(F)F	REAL300000508689	0	33	-2.0	-92.51	315.16	4.73	-87.78
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN=C1C(F)F	REAL300000508690	0	33	-2.0	-87.64	323.04	4.99	-82.65
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CN=C1C(F)F	REAL300000508691	0	36	-2.0	-99.67	339.16	5.86	-93.81
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CN=C1C(F)F	REAL300000508692	0	41	-2.0	-87.06	374.30	5.99	-81.07
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508693	0	33	-2.0	-91.45	321.37	4.67	-86.78
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CN=C1C(F)F	REAL300000508694	0	35	-2.0	-87.37	338.74	5.24	-82.13
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CN=C1C(F)F	REAL300000508695	0	34	-2.0	-106.57	319.41	2.37	-104.20
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CN=C1C(F)F	REAL300000508696	0	36	-2.0	-93.68	332.72	5.35	-88.33
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508697	0	33	-2.0	-92.79	331.26	5.10	-87.69
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CN=C1C(F)F	REAL300000508698	0	36	-2.0	-101.08	319.77	5.30	-95.78
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508699	0	36	-2.0	-100.94	335.38	5.22	-95.72
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C(F)F)C(C)=C1	REAL300000508700	0	36	-2.0	-93.84	325.11	5.44	-88.40
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508701	0	39	-2.0	-104.80	343.44	5.63	-99.17
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508702	0	35	-2.0	-100.88	337.11	5.66	-95.22
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CN=C1C(F)F	REAL300000508703	0	33	-2.0	-94.85	321.45	4.78	-90.07
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000508704	0	39	-2.0	-105.24	344.18	6.05	-99.19
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000508705	0	36	-2.0	-104.45	331.17	5.26	-99.19
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CN=C1C(F)F	REAL300000508706	0	36	-2.0	-103.66	341.48	5.79	-97.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)=C1	REAL300000508707	0	36	-2.0	-109.21	334.73	5.34	-103.87
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000508708	0	39	-2.0	-103.76	344.49	5.75	-98.01
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)C=C1CC(=O)[O-]	REAL300000508709	0	40	-2.0	-103.99	361.02	4.69	-99.30
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CN=C1C(F)F	REAL300000508710	0	36	-2.0	-94.55	335.96	5.84	-88.71
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508711	0	36	-2.0	-99.63	341.77	5.53	-94.10
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000508712	0	37	-2.0	-101.59	338.57	4.79	-96.80
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)C(C)=C1CC(=O)[O-]	REAL300000508713	1	45	-2.0	-101.98	375.56	7.44	-94.54
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508714	0	36	-2.0	-96.42	344.29	5.64	-90.78
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000508715	0	36	-2.0	-90.07	326.56	5.12	-84.95
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C(F)F)C(C)=C1	REAL300000508716	0	36	-2.0	-105.07	329.65	5.47	-99.60
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CN=C1C(F)F	REAL300000508717	0	35	-2.0	-111.74	333.45	6.51	-105.23
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CN=C1C(F)F	REAL300000508718	0	33	-2.0	-108.53	313.32	4.68	-103.85
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508719	0	36	-2.0	-94.69	335.49	5.25	-89.44
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508720	0	39	-2.0	-109.97	351.60	6.70	-103.27
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CN=C1C(F)F	REAL300000508721	0	32	-2.0	-103.33	305.92	2.78	-100.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C(F)F)C(C)=C1	REAL300000508722	0	37	-2.0	-97.53	337.91	4.46	-93.07
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CN=C1C(F)F	REAL300000508723	0	30	-2.0	-93.79	309.85	3.63	-90.16
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CN=C1C(F)F	REAL300000508724	0	40	-2.0	-96.70	356.68	6.45	-90.25
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CN=C1C(F)F	REAL300000508725	0	40	-2.0	-99.28	356.02	6.45	-92.83
CCC1=C(S(=O)(=O)[N-]C2=CN=C(C(F)F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000508726	0	36	-2.0	-100.32	331.83	4.65	-95.67
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300000508727	1	37	-2.0	-87.67	349.34	4.79	-82.88
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=C1	REAL300000508729	0	38	-2.0	-105.11	352.50	7.28	-97.83
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=C1	REAL300000508730	0	30	-2.0	-101.52	309.30	6.92	-94.60
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000508732	1	30	-2.0	-106.45	292.89	6.20	-100.25
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300000508733	0	34	-2.0	-112.05	321.02	6.00	-106.05
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=C1	REAL300000508734	1	30	-2.0	-101.82	309.12	6.69	-95.13
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000508737	0	30	-2.0	-102.19	305.95	6.77	-95.42
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000508738	1	30	-2.0	-102.28	305.38	6.59	-95.69
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=C1	REAL300000508739	0	30	-2.0	-97.77	318.45	7.15	-90.62
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000508741	0	30	-2.0	-103.79	298.36	6.26	-97.53
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000508742	1	36	-2.0	-92.88	336.44	7.78	-85.10
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000508743	0	27	-2.0	-100.45	286.06	5.21	-95.24
C#CC1=CC=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=C1	REAL300000508747	0	27	-2.0	-97.44	303.06	5.99	-91.45
C#CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000508748	1	31	-2.0	-104.76	299.53	5.55	-99.21
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)C=C1	REAL300000508750	0	30	-2.0	-102.18	317.78	6.84	-95.34
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000508751	0	30	-2.0	-96.83	302.01	5.89	-90.94
C#CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000508753	1	27	-2.0	-101.93	284.53	5.23	-96.70
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000508757	1	39	-2.0	-109.71	346.78	8.22	-101.49
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300000508759	0	37	-2.0	-112.44	343.31	6.76	-105.68
C#CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000508760	0	33	-2.0	-109.48	324.00	6.73	-102.75
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000508760	1	32	-3.0	-181.35	321.28	6.76	-174.59
C#CC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000508762	0	30	-2.0	-100.47	295.91	5.35	-95.12
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000508764	0	34	-2.0	-107.51	321.85	5.29	-102.22
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000508766	1	30	-2.0	-95.99	320.55	7.05	-88.94
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000508767	0	30	-2.0	-98.87	310.47	6.78	-92.09
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=C1	REAL300000508770	1	40	-2.0	-91.59	372.63	7.45	-84.14
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000508771	1	33	-2.0	-97.98	313.59	7.03	-90.95
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000508773	1	34	-2.0	-91.83	330.17	6.55	-85.28
C#CC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000508776	1	30	-2.0	-103.88	301.48	6.10	-97.78
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C1	REAL300000508777	0	30	-2.0	-95.90	321.10	7.22	-88.68
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000508778	1	30	-2.0	-91.57	305.93	6.76	-84.81
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=C1	REAL300000508779	1	30	-2.0	-91.08	309.28	6.90	-84.18
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000508780	1	30	-2.0	-93.49	297.41	6.24	-87.25
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000508781	0	27	-2.0	-95.46	285.14	5.33	-90.13
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000508782	1	30	-2.0	-97.26	299.28	6.27	-90.99
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000508783	0	33	-2.0	-105.13	318.64	6.90	-98.23
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000508784	0	34	-2.0	-96.22	333.19	6.83	-89.39
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000508785	0	30	-2.0	-93.39	298.34	6.27	-87.12
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000508787	1	33	-2.0	-99.76	322.32	7.41	-92.35
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)C=C1	REAL300000508788	1	33	-2.0	-97.01	327.98	7.55	-89.46
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1	REAL300000508789	1	38	-2.0	-90.46	356.61	7.61	-82.85
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000508791	1	30	-2.0	-95.42	303.70	6.29	-89.13
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000508792	1	32	-2.0	-91.46	321.07	6.87	-84.59
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000508793	0	31	-2.0	-106.50	302.59	3.91	-102.59
C#CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000508793	1	31	-2.0	-105.63	301.80	4.72	-100.91
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000508795	1	33	-2.0	-97.56	315.04	6.97	-90.59
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000508796	1	30	-2.0	-96.89	313.58	6.73	-90.16
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)C=C1	REAL300000508798	1	33	-2.0	-100.19	326.35	7.50	-92.69
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000508802	1	32	-2.0	-104.74	319.45	7.29	-97.45
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000508803	0	30	-2.0	-95.27	304.63	6.33	-88.94
C#CC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=C1	REAL300000508804	0	27	-2.0	-93.32	305.46	5.90	-87.42
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000508806	0	33	-2.0	-104.84	314.36	6.80	-98.04
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000508807	0	33	-2.0	-103.90	324.64	7.34	-96.56
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000508808	0	33	-2.0	-111.10	317.89	6.89	-104.21
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)C=C1	REAL300000508810	1	30	-2.0	-98.34	313.81	6.94	-91.40
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000508812	1	33	-2.0	-96.54	323.42	7.46	-89.08
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000508814	1	33	-2.0	-104.03	324.10	7.16	-96.87
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=C1	REAL300000508815	1	30	-2.0	-99.08	314.17	6.81	-92.27
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Br)C=C1	REAL300000508816	0	33	-2.0	-103.44	327.45	7.47	-95.97
C#CC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300000508817	1	34	-2.0	-105.99	320.90	6.42	-99.57
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)C=C1	REAL300000508819	0	30	-2.0	-93.92	314.98	6.96	-86.96
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=C1	REAL300000508820	0	30	-2.0	-94.02	318.46	6.76	-87.26
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=C1	REAL300000508821	0	34	-2.0	-93.03	337.58	6.50	-86.53
C#CC1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1	REAL300000508823	1	39	-2.0	-103.66	342.33	8.33	-95.33
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=C1	REAL300000508824	1	34	-2.0	-107.68	333.20	6.83	-100.85
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300000508826	0	35	-2.0	-98.14	333.60	8.37	-89.77
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000508828	0	32	-2.0	-113.59	316.63	8.06	-105.53
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000508829	0	30	-2.0	-110.41	296.54	6.22	-104.19
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000508830	1	33	-2.0	-99.03	317.82	6.88	-92.15
C#CC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000508831	1	36	-2.0	-114.66	333.92	8.32	-106.34
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000508832	0	29	-2.0	-103.82	289.09	4.32	-99.50
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300000508833	0	34	-2.0	-98.17	321.08	6.00	-92.17
C#CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000508834	0	27	-2.0	-93.98	293.03	5.17	-88.81
C#CC1=CC=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=C1	REAL300000508836	0	33	-2.0	-97.44	336.22	3.24	-94.20
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000508837	1	37	-2.0	-100.66	339.00	8.09	-92.57
C#CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000508838	1	37	-2.0	-103.08	338.32	8.10	-94.98
C#CC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300000508839	0	33	-2.0	-100.40	315.00	6.20	-94.20
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C(F)F	REAL300000508840	0	38	-2.0	-93.93	361.42	3.05	-90.88
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(F)F	REAL300000508841	0	31	-2.0	-111.83	306.41	4.41	-107.42
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(F)F)=C1	REAL300000508842	0	39	-2.0	-111.91	364.56	5.58	-106.33
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C(F)F	REAL300000508843	0	31	-2.0	-99.86	304.94	4.47	-95.39
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(F)F	REAL300000508844	0	31	-2.0	-113.45	301.88	4.38	-109.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(F)F)=C1	REAL300000508845	0	35	-2.0	-118.69	333.09	4.27	-114.42
CN1N=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C(F)F	REAL300000508846	0	35	-2.0	-99.90	336.41	5.76	-94.14
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000508847	0	34	-2.0	-115.92	321.95	5.03	-110.89
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1C(F)F	REAL300000508848	0	31	-2.0	-108.54	318.02	5.02	-103.52
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1C(F)F	REAL300000508849	0	31	-2.0	-110.25	314.38	4.77	-105.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)=C1C	REAL300000508850	0	37	-2.0	-115.99	338.05	5.78	-110.21
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(F)F	REAL300000508851	0	31	-2.0	-110.21	310.43	4.52	-105.69
CN1N=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C(F)F	REAL300000508852	0	37	-2.0	-99.31	348.53	6.05	-93.26
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(F)F	REAL300000508853	0	28	-2.0	-107.83	295.08	3.41	-104.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(F)F)=C1	REAL300000508854	0	34	-2.0	-114.10	320.39	5.23	-108.87
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C(F)F	REAL300000508855	0	35	-2.0	-98.58	336.03	4.75	-93.83
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000508856	0	32	-2.0	-111.95	308.53	3.74	-108.21
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(F)F)=C1	REAL300000508857	0	35	-2.0	-114.45	329.15	3.27	-111.18
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)=C1	REAL300000508858	0	31	-2.0	-102.69	314.07	4.15	-98.54
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000508859	0	37	-2.0	-117.13	337.34	5.79	-111.34
CN1N=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(F)F	REAL300000508860	0	28	-2.0	-110.06	293.54	3.40	-106.66
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000508861	0	39	-2.0	-112.67	363.26	4.27	-108.40
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000508862	0	35	-2.0	-119.37	329.18	4.45	-114.92
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1C(F)F	REAL300000508863	0	41	-2.0	-118.50	357.13	7.01	-111.49
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(F)F)=C1	REAL300000508864	0	40	-2.0	-116.36	358.85	6.46	-109.90
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(F)F)=C1	REAL300000508865	0	37	-2.0	-112.62	335.08	6.17	-106.45
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(F)F)=C1	REAL300000508866	0	38	-2.0	-118.72	355.37	5.04	-113.68
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C(F)F	REAL300000508867	0	33	-3.0	-186.37	333.36	5.03	-181.34
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1C(F)F	REAL300000508868	0	38	-2.0	-118.26	349.20	6.35	-111.91
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000508869	0	31	-2.0	-106.64	307.95	3.60	-103.04
CN1N=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1C(F)F	REAL300000508870	0	37	-2.0	-117.22	347.13	4.23	-112.99
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)=C1	REAL300000508871	0	35	-2.0	-113.22	333.93	3.55	-109.67
CN1N=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1C(F)F	REAL300000508872	0	39	-2.0	-100.93	355.53	5.00	-95.93
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1C(F)F	REAL300000508873	0	31	-2.0	-105.18	322.54	5.04	-100.14
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1C(F)F	REAL300000508874	0	35	-2.0	-98.34	348.97	5.21	-93.13
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)=CC=C1OCC(=O)[O-]	REAL300000508875	0	38	-2.0	-100.37	353.05	5.37	-95.00
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(F)F)=C1	REAL300000508876	0	34	-2.0	-104.40	325.65	5.27	-99.13
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1C(F)F	REAL300000508877	0	35	-2.0	-99.28	339.17	4.73	-94.55
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000508878	0	38	-2.0	-120.01	351.01	5.36	-114.65
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000508879	0	31	-2.0	-110.98	310.52	4.27	-106.71
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1C(F)F	REAL300000508880	0	31	-2.0	-97.38	318.00	5.01	-92.37
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(F)F	REAL300000508881	0	31	-2.0	-100.58	306.43	4.42	-96.16
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(F)F	REAL300000508882	0	28	-2.0	-101.47	297.20	3.59	-97.88
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(F)F	REAL300000508883	0	31	-2.0	-103.23	311.36	4.53	-98.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)=C1F	REAL300000508884	0	34	-2.0	-111.55	330.71	5.16	-106.39
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000508885	0	35	-2.0	-101.86	345.26	5.07	-96.79
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(F)F	REAL300000508886	0	31	-2.0	-99.12	310.41	4.53	-94.59
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1C(F)F	REAL300000508887	0	31	-2.0	-98.75	314.40	4.78	-93.97
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(F)F)=C1	REAL300000508888	0	34	-2.0	-106.19	334.39	5.65	-100.54
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1C(F)F	REAL300000508889	0	39	-2.0	-96.73	368.70	5.87	-90.86
CN1N=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1C(F)F	REAL300000508890	0	31	-2.0	-101.32	315.77	4.55	-96.77
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1C(F)F	REAL300000508891	0	33	-2.0	-97.32	333.14	5.13	-92.19
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C(F)F	REAL300000508892	0	32	-2.0	-113.13	314.67	2.19	-110.94
CN1N=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(F)F	REAL300000508893	0	34	-2.0	-103.98	327.13	5.25	-98.73
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1C(F)F	REAL300000508894	0	31	-2.0	-102.79	325.66	4.99	-97.80
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(F)F)=C1	REAL300000508895	0	34	-2.0	-108.12	315.03	5.09	-103.03
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000508896	0	34	-2.0	-111.19	329.79	5.11	-106.08
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(F)F)=C1	REAL300000508897	0	34	-2.0	-100.19	320.36	5.23	-94.96
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000508898	0	37	-2.0	-115.58	337.84	5.53	-110.05
CN1N=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1C(F)F	REAL300000508899	0	33	-2.0	-112.57	328.44	5.47	-107.10
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C(F)F	REAL300000508900	0	31	-2.0	-101.61	316.68	4.59	-97.02
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000508901	0	37	-2.0	-112.30	339.43	5.84	-106.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000508902	0	34	-2.0	-111.33	326.45	5.06	-106.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)=C1Cl	REAL300000508903	0	34	-2.0	-110.35	336.71	5.59	-104.76
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)=C1	REAL300000508904	0	34	-2.0	-116.60	329.96	5.15	-111.45
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000508905	0	37	-2.0	-116.49	336.18	5.57	-110.92
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C1CC(=O)[O-]	REAL300000508906	0	38	-2.0	-116.13	352.34	4.51	-111.62
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C)C(C(F)F)=C1	REAL300000508907	0	34	-2.0	-101.29	331.74	5.60	-95.69
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1C(F)F	REAL300000508908	0	34	-2.0	-97.81	331.99	5.19	-92.62
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000508909	0	34	-2.0	-110.06	336.18	5.42	-104.64
CCN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000508910	0	35	-2.0	-113.28	329.90	4.60	-108.68
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C(C)=C1CC(=O)[O-]	REAL300000508911	0	43	-2.0	-112.39	370.11	7.34	-105.05
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000508912	0	34	-2.0	-105.80	334.82	5.43	-100.37
CN1N=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1C(F)F	REAL300000508913	0	40	-2.0	-110.11	354.39	6.55	-103.56
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000508914	0	35	-2.0	-114.13	345.27	5.08	-109.05
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000508915	0	34	-2.0	-102.94	321.93	5.03	-97.91
CN1N=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C(F)F	REAL300000508916	0	36	-2.0	-104.72	348.21	6.65	-98.07
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C(F)F)=C1	REAL300000508917	0	34	-2.0	-111.68	324.49	5.30	-106.38
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C(F)F	REAL300000508918	0	33	-2.0	-118.87	328.70	6.32	-112.55
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(F)F	REAL300000508919	0	31	-2.0	-115.84	308.61	4.50	-111.34
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000508920	0	34	-2.0	-104.04	326.12	5.03	-99.01
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C(F)F	REAL300000508921	0	37	-2.0	-120.66	346.00	6.58	-114.08
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(F)F	REAL300000508922	0	30	-2.0	-111.28	298.11	2.50	-108.78
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C(F)F)=C1	REAL300000508923	0	35	-2.0	-104.23	333.15	4.27	-99.96
CN1N=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C(F)F	REAL300000508924	0	28	-2.0	-100.19	305.09	3.44	-96.75
CN1N=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1C(F)F	REAL300000508925	0	38	-2.0	-106.10	349.55	6.31	-99.79
CN1N=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1C(F)F	REAL300000508926	0	38	-2.0	-109.62	350.39	6.35	-103.27
CCC1=C(S(=O)(=O)[N-]C2=NN(C)C(C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000508927	0	34	-2.0	-106.59	327.07	4.45	-102.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)C=C1	REAL300000508928	1	42	-2.0	-97.89	376.95	8.29	-89.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)=C1	REAL300000508929	1	42	-2.0	-110.10	376.95	8.29	-101.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000508930	1	45	-2.0	-112.48	392.97	8.82	-103.66
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)=C1	REAL300000508931	0	39	-2.0	-104.45	370.13	7.31	-97.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(COC2=CC=CC=C2)=C1	REAL300000508932	1	45	-2.0	-110.54	392.38	9.08	-101.46
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000508933	0	43	-2.0	-108.61	383.60	7.64	-100.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)=CS1	REAL300000508934	0	39	-2.0	-105.91	368.60	7.32	-98.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)C=C(C(=O)[O-])O1	REAL300000508935	0	42	-2.0	-103.75	379.96	7.43	-96.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)S1	REAL300000508936	0	39	-2.0	-99.89	369.22	7.42	-92.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)=C1	REAL300000508937	0	43	-2.0	-109.52	386.67	6.01	-103.51
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(COC3=CC=CC=C3)=C2)=C1	REAL300000508937	1	43	-2.0	-106.59	385.76	6.88	-99.71
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)C=C1	REAL300000508938	1	45	-2.0	-101.29	399.14	9.06	-92.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(COC2=CC=CC=C2)=C1	REAL300000508939	1	45	-2.0	-107.47	387.02	8.92	-98.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000508941	1	45	-2.0	-98.09	392.96	8.83	-89.26
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(COC3=CC=CC=C3)=C2)=C1	REAL300000508942	0	41	-2.0	-108.05	373.17	6.42	-101.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC4=CC=CC=C4O3)=C2)C=C1	REAL300000508943	1	40	-2.0	-101.26	368.45	5.81	-95.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NC4=CC=CC=C4O3)=C2)=C1	REAL300000508944	1	40	-2.0	-113.70	368.46	5.80	-107.90
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC4=CC=CC=C4O3)=C2)C=C1C(=O)[O-]	REAL300000508945	0	41	-2.0	-112.20	375.11	5.16	-107.04
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NC4=CC=CC=C4O3)=C2)C=C(C(=O)[O-])O1	REAL300000508946	0	40	-2.0	-106.99	371.47	4.94	-102.05
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NC4=CC=CC=C4O3)=C2)=C1	REAL300000508947	0	39	-2.0	-109.61	365.44	3.86	-105.75
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2C=N1	REAL300000508948	1	39	-2.0	-91.76	361.30	6.22	-85.54
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2C=N1	REAL300000508949	1	39	-2.0	-103.44	361.33	6.20	-97.24
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2C=N1	REAL300000508950	0	36	-2.0	-98.09	354.51	5.23	-92.86
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2C=N1	REAL300000508951	0	40	-2.0	-101.83	367.97	5.56	-96.27
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2C=N1	REAL300000508952	0	36	-2.0	-99.42	352.97	5.24	-94.18
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2C=N1	REAL300000508953	0	39	-2.0	-97.68	364.33	5.35	-92.33
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2C=N1	REAL300000508954	0	36	-2.0	-93.32	353.59	5.33	-87.99
COC(=O)C1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2C=N1	REAL300000508955	0	38	-2.0	-101.10	357.54	4.33	-96.77
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)OC)=C1F	REAL300000508956	0	41	-2.0	-95.26	378.75	6.05	-89.21
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)OC)=C1F	REAL300000508957	0	41	-2.0	-105.64	378.77	6.04	-99.60
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(=O)OC)=C1F	REAL300000508958	0	40	-2.0	-102.29	375.74	4.10	-98.19
CC1(C)CCCC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300000508960	1	50	-2.0	-109.99	401.49	9.70	-100.29
CC1(C)CCCC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)C1	REAL300000508961	0	47	-2.0	-103.93	394.67	8.72	-95.21
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCC(C)(C)C3)=C2)C=C1C(=O)[O-]	REAL300000508962	1	51	-2.0	-108.13	408.13	9.05	-99.08
CC1(C)CCCC(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)C1	REAL300000508963	0	47	-2.0	-105.29	393.14	8.73	-96.56
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCCC(C)(C)C3)=C2)C=C(C(=O)[O-])O1	REAL300000508964	0	50	-2.0	-103.21	404.49	8.84	-94.37
CC1(C)CCCC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)C1	REAL300000508965	0	47	-2.0	-98.58	393.76	8.83	-89.75
CC1(C)CCCC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)C1	REAL300000508966	0	49	-2.0	-107.70	397.71	7.83	-99.87
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C)=N1	REAL300000508967	0	36	-2.0	-97.44	340.94	4.60	-92.84
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)=N1	REAL300000508968	0	36	-2.0	-88.00	336.39	4.59	-83.41
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)=N1	REAL300000508969	0	36	-2.0	-99.46	336.41	4.58	-94.88
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C)=N1	REAL300000508970	0	40	-2.0	-104.76	364.55	4.38	-100.38
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C)=N1	REAL300000508971	0	40	-2.0	-88.21	367.86	5.88	-82.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C)=N1	REAL300000508972	0	39	-2.0	-100.23	352.43	5.11	-95.12
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C)=N1	REAL300000508973	0	36	-2.0	-95.58	349.48	5.14	-90.44
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=N1	REAL300000508974	0	36	-2.0	-95.55	348.91	4.97	-90.58
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C)=N1	REAL300000508975	0	42	-2.0	-102.71	368.80	5.88	-96.83
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C)=N1	REAL300000508976	0	36	-2.0	-96.62	341.88	4.64	-91.98
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C)=N1	REAL300000508977	0	42	-2.0	-87.25	379.97	6.17	-81.08
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=N1	REAL300000508978	0	33	-2.0	-94.06	329.60	3.60	-90.46
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C)=N1	REAL300000508979	0	39	-2.0	-101.11	351.84	5.35	-95.76
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C)=N1	REAL300000508980	0	40	-2.0	-86.80	367.48	4.87	-81.93
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C)=N1	REAL300000508981	0	37	-2.0	-97.88	343.06	3.94	-93.94
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(C)=N1	REAL300000508982	0	40	-2.0	-101.92	360.19	3.40	-98.52
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(C)=N1	REAL300000508983	0	36	-2.0	-90.30	345.52	4.26	-86.04
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(C)=N1	REAL300000508984	0	42	-2.0	-102.04	367.86	5.88	-96.16
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=N1	REAL300000508985	0	33	-2.0	-95.45	328.05	3.61	-91.84
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(C)=N1	REAL300000508986	0	40	-2.0	-105.28	363.70	4.64	-100.64
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(C)=N1	REAL300000508987	0	45	-2.0	-102.88	390.31	6.57	-96.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC)N=C1C	REAL300000508988	0	42	-2.0	-99.90	365.96	6.27	-93.63
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(C)=N1	REAL300000508989	0	43	-2.0	-104.39	386.84	5.15	-99.24
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=N1	REAL300000508990	0	38	-3.0	-171.97	364.81	5.15	-166.82
COC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C)=N1	REAL300000508990	1	39	-2.0	-110.36	364.21	5.14	-105.22
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C)=N1	REAL300000508991	0	43	-2.0	-104.46	380.66	6.47	-97.99
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)=N1	REAL300000508992	0	36	-2.0	-94.32	339.41	3.72	-90.60
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(C)=N1	REAL300000508993	0	40	-2.0	-99.75	365.33	3.66	-96.09
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(C)=N1	REAL300000508994	0	43	-2.0	-87.13	387.56	5.56	-81.57
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(C)=N1	REAL300000508995	0	39	-2.0	-92.03	357.12	5.39	-86.64
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C)=N1	REAL300000508996	0	40	-2.0	-86.72	373.70	4.91	-81.81
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)N=C2C)C=C1C(=O)[O-]	REAL300000508997	0	43	-2.0	-105.84	385.54	5.56	-100.28
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(C)=N1	REAL300000508998	0	36	-2.0	-97.54	346.10	4.47	-93.07
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C)=N1	REAL300000508999	0	36	-2.0	-85.74	349.47	5.14	-80.60
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C)=N1	REAL300000509000	0	36	-2.0	-87.85	340.94	4.61	-83.24
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=N1	REAL300000509001	0	33	-2.0	-89.31	328.66	3.70	-85.61
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=N1	REAL300000509002	0	36	-2.0	-90.75	342.81	4.64	-86.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(C)=N1	REAL300000509003	0	39	-2.0	-97.74	362.17	5.29	-92.45
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C)=N1	REAL300000509004	0	36	-2.0	-87.02	341.86	4.64	-82.38
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=N1	REAL300000509005	0	36	-2.0	-85.69	348.91	4.98	-80.71
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C)=N1	REAL300000509006	0	39	-2.0	-93.54	365.85	5.78	-87.76
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C)=N1	REAL300000509007	0	36	-2.0	-89.49	347.22	4.68	-84.81
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C)=N1	REAL300000509008	0	38	-2.0	-85.28	364.59	5.23	-80.05
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C)=N1	REAL300000509009	0	37	-2.0	-100.12	346.13	2.29	-97.83
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)=N1	REAL300000509010	0	39	-2.0	-91.26	358.57	5.37	-85.89
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C)=N1	REAL300000509011	0	39	-2.0	-95.49	346.45	5.20	-90.29
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(C)=N1	REAL300000509012	0	39	-2.0	-98.55	361.25	5.22	-93.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(C)=N1	REAL300000509013	0	39	-2.0	-88.52	351.82	5.34	-83.18
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(C)=N1	REAL300000509014	0	42	-2.0	-103.29	373.90	5.78	-97.51
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C)=N1	REAL300000509015	0	38	-2.0	-98.93	362.97	5.68	-93.25
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=N1	REAL300000509016	0	36	-2.0	-88.61	348.17	4.70	-83.91
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(C)=N1	REAL300000509017	0	42	-2.0	-99.75	369.94	5.98	-93.77
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(C)=N1	REAL300000509018	0	39	-2.0	-98.75	361.72	5.28	-93.47
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(C)=N1	REAL300000509019	0	39	-2.0	-97.09	368.17	5.71	-91.38
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(C)=N1	REAL300000509020	0	39	-2.0	-103.32	361.44	5.28	-98.04
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)N=C2C)C=C1C(=O)[O-]	REAL300000509021	0	42	-2.0	-100.79	370.73	5.76	-95.03
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C(C)=N1	REAL300000509022	0	43	-2.0	-101.35	386.88	4.72	-96.63
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(C)=N1	REAL300000509023	0	39	-2.0	-89.14	362.67	5.75	-83.39
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COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000509192	0	35	-2.0	-102.28	333.91	-1.26	-103.54
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000509193	0	35	-2.0	-92.68	329.36	-1.29	-93.97
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000509194	0	35	-2.0	-104.53	329.37	-1.31	-105.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1OC	REAL300000509195	0	39	-2.0	-109.71	357.52	-1.50	-111.21
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000509196	0	39	-2.0	-92.52	360.83	0.00	-92.52
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000509197	0	38	-2.0	-105.50	345.40	-0.77	-106.27
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COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000509199	0	35	-2.0	-101.66	334.84	-1.23	-102.89
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000509200	0	41	-2.0	-91.68	372.95	0.29	-91.39
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000509201	0	32	-2.0	-98.96	322.56	-2.27	-101.23
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000509202	0	38	-2.0	-105.47	344.80	-0.51	-105.98
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000509203	0	39	-2.0	-91.12	360.45	-1.02	-92.14
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000509204	0	36	-2.0	-102.91	336.02	-1.94	-104.85
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000509205	0	39	-2.0	-105.90	353.58	-2.47	-108.37
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000509206	0	35	-2.0	-95.24	338.48	-1.62	-96.86
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000509207	0	41	-2.0	-106.53	360.82	0.03	-106.50
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000509208	0	32	-2.0	-100.42	321.03	-2.26	-102.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2OC)C=C1C(=O)[O-]	REAL300000509209	0	39	-2.0	-110.31	356.65	-1.22	-111.53
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000509210	0	44	-2.0	-107.53	383.27	0.71	-106.82
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1OC	REAL300000509211	0	41	-2.0	-103.88	359.50	0.42	-103.46
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1OC	REAL300000509212	0	42	-2.0	-110.02	379.81	-0.74	-110.76
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000509213	0	37	-3.0	-178.33	357.78	-0.73	-179.06
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000509214	0	42	-2.0	-109.40	373.62	0.61	-108.79
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000509215	0	35	-2.0	-98.73	332.38	-2.15	-100.88
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000509216	0	39	-2.0	-105.41	358.29	-2.21	-107.62
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000509217	0	42	-2.0	-91.53	380.53	-0.30	-91.83
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000509218	0	38	-2.0	-96.53	349.67	-0.46	-96.99
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000509219	0	39	-2.0	-90.85	366.67	-0.96	-91.81
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2OC)C=C1C(=O)[O-]	REAL300000509220	0	42	-2.0	-110.90	378.51	-0.32	-111.22
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000509221	0	35	-2.0	-102.02	338.00	-1.40	-103.42
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000509222	0	35	-2.0	-90.36	342.43	-0.73	-91.09
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000509223	0	35	-2.0	-92.34	333.91	-1.25	-93.59
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000509224	0	32	-2.0	-94.12	321.63	-2.18	-96.30
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509225	0	35	-2.0	-95.63	335.78	-1.23	-96.86
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000509226	0	38	-2.0	-102.94	355.14	-0.59	-103.53
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000509227	0	35	-2.0	-91.94	334.84	-1.22	-93.16
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000509228	0	35	-2.0	-90.29	341.88	-0.89	-91.18
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000509229	0	38	-2.0	-98.14	358.40	-0.08	-98.22
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000509230	0	37	-2.0	-90.01	357.57	-0.62	-90.63
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000509231	0	35	-3.0	-197.69	335.52	-2.70	-200.39
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000509231	1	36	-2.0	-104.31	339.09	-3.59	-107.90
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000509232	0	38	-2.0	-95.90	351.55	-0.52	-96.42
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000509233	0	38	-2.0	-100.77	339.41	-0.67	-101.44
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000509234	0	38	-2.0	-103.51	354.22	-0.64	-104.15
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000509235	0	38	-2.0	-92.85	344.79	-0.52	-93.37
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000509236	0	41	-2.0	-107.32	362.25	-0.23	-107.55
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000509237	0	37	-2.0	-103.50	355.93	-0.20	-103.70
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000509238	0	35	-2.0	-93.53	341.11	-1.17	-94.70
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000509239	0	41	-2.0	-104.95	363.85	0.09	-104.86
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000509240	0	38	-2.0	-103.90	354.69	-0.61	-104.51
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000509241	0	38	-2.0	-101.93	361.14	-0.16	-102.09
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000509242	0	38	-2.0	-109.08	354.41	-0.61	-109.69
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2OC)C=C1C(=O)[O-]	REAL300000509243	0	41	-2.0	-106.12	363.70	-0.11	-106.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2OC)C=C1CC(=O)[O-]	REAL300000509244	0	42	-2.0	-106.75	379.84	-1.17	-107.92
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000509245	0	38	-2.0	-94.19	355.64	-0.12	-94.31
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000509246	0	38	-2.0	-102.15	360.61	-0.34	-102.49
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2OC)C=C1C(=O)[O-]	REAL300000509247	0	39	-2.0	-104.13	357.40	-1.07	-105.20
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000509248	0	38	-2.0	-99.10	363.15	-0.22	-99.32
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000509249	0	38	-2.0	-92.68	345.38	-0.75	-93.43
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000509250	0	38	-2.0	-103.45	348.90	-0.45	-103.90
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000509251	0	37	-2.0	-111.72	353.12	0.55	-111.17
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000509252	0	35	-2.0	-108.39	333.01	-1.28	-109.67
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000509253	0	38	-2.0	-97.30	354.33	-0.62	-97.92
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000509254	0	34	-2.0	-101.99	325.59	-3.17	-105.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(N)=O)N=C1OC	REAL300000509255	0	39	-2.0	-96.59	357.58	-1.50	-98.09
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000509256	0	32	-2.0	-92.72	329.48	-2.31	-95.03
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000509257	0	42	-2.0	-99.11	375.50	0.58	-98.53
COC1=NC(C(N)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000509258	0	42	-2.0	-101.35	374.82	0.58	-100.77
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(N)=O)N=C2OC)C=C(C(=O)[O-])O1	REAL300000509259	0	38	-2.0	-98.59	351.51	-1.30	-99.89
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(F)=C1Cl	REAL300000509260	1	34	-2.0	-86.36	338.81	6.11	-80.25
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(F)=C1Cl	REAL300000509261	1	34	-2.0	-97.68	338.82	6.10	-91.58
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(F)=C1Cl	REAL300000509262	0	31	-2.0	-92.41	332.00	5.12	-87.29
COC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(F)=C1Cl	REAL300000509263	0	35	-2.0	-96.30	345.46	5.46	-90.84
COC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(F)=C1Cl	REAL300000509264	0	31	-2.0	-93.82	330.47	5.15	-88.67
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC(F)=C1Cl	REAL300000509265	0	34	-2.0	-92.84	341.83	5.25	-87.59
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(F)=C1Cl	REAL300000509266	0	31	-2.0	-87.68	331.08	5.23	-82.45
COC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(F)=C1Cl	REAL300000509267	0	33	-2.0	-95.13	335.04	4.24	-90.89
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1	REAL300000509268	0	39	-2.0	-93.06	359.16	-0.78	-93.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=CC=C1F	REAL300000509269	0	32	-2.0	-108.26	307.24	0.66	-107.60
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C(=O)NCC2=C1	REAL300000509270	0	40	-2.0	-110.71	362.33	1.71	-109.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1	REAL300000509271	0	32	-2.0	-98.66	302.68	0.64	-98.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1	REAL300000509272	0	32	-2.0	-110.49	302.71	0.63	-109.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C(=O)NCC2=C1	REAL300000509273	0	36	-2.0	-116.85	330.85	0.42	-116.43
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1	REAL300000509274	0	36	-2.0	-98.87	334.16	1.93	-96.94
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1C(=O)[O-]	REAL300000509275	0	35	-2.0	-112.69	322.78	1.28	-111.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1C	REAL300000509276	0	38	-2.0	-114.79	335.10	1.93	-112.86
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1	REAL300000509277	0	32	-2.0	-108.51	308.19	0.69	-107.82
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1	REAL300000509278	0	38	-2.0	-98.27	346.27	2.20	-96.07
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1	REAL300000509279	0	29	-2.0	-104.84	295.89	-0.35	-105.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C(=O)NCC2=C1	REAL300000509280	0	35	-2.0	-113.06	318.14	1.42	-111.64
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1	REAL300000509281	0	36	-2.0	-97.44	333.77	0.92	-96.52
CN1C=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1C(=O)[O-]	REAL300000509282	0	33	-2.0	-108.83	309.36	-0.02	-108.85
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C(=O)NCC2=C1	REAL300000509283	0	36	-2.0	-113.34	326.92	-0.56	-113.90
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1	REAL300000509284	0	32	-2.0	-101.18	311.83	0.31	-100.87
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1C(=O)[O-]	REAL300000509285	0	38	-2.0	-114.43	333.78	1.96	-112.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=CS1	REAL300000509286	0	29	-2.0	-106.36	294.36	-0.33	-106.69
COC1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000509287	0	40	-2.0	-110.81	361.02	0.43	-110.38
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1C(=O)[O-]	REAL300000509288	0	36	-2.0	-116.23	329.99	0.70	-115.53
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1	REAL300000509289	0	42	-2.0	-116.44	357.95	3.26	-113.18
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C(=O)NCC2=C1	REAL300000509290	0	41	-2.0	-115.08	356.61	2.64	-112.44
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C(=O)NCC2=C1	REAL300000509291	0	38	-2.0	-111.97	332.85	2.36	-109.61
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C(=O)NCC2=C1	REAL300000509292	0	39	-2.0	-115.87	353.14	1.19	-114.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=CC(C(=O)[O-])=C1	REAL300000509293	0	34	-3.0	-182.85	331.11	1.19	-181.66
O=C([O-])C1=CC(S(=O)(=O)NC2=CN=C3C(=O)NCC3=C2)=CC(C(=O)[O-])=C1	REAL300000509293	1	35	-2.0	-112.66	337.82	1.06	-111.60
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1	REAL300000509294	0	39	-2.0	-116.69	346.95	2.53	-114.16
CC1=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C(C(=O)[O-])O1	REAL300000509295	0	32	-2.0	-105.76	305.72	-0.23	-105.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=CC2=C1OCCO2	REAL300000509296	0	38	-2.0	-114.96	344.88	0.41	-114.55
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1	REAL300000509297	0	36	-2.0	-111.16	331.70	-0.29	-111.45
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN=C4C(=O)NCC4=C3)C=C2C1	REAL300000509298	0	40	-2.0	-97.89	355.63	1.23	-96.66
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1Cl	REAL300000509299	0	36	-2.0	-96.15	349.81	1.46	-94.69
CC1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=CC=C1OCC(=O)[O-]	REAL300000509300	0	39	-2.0	-97.88	353.86	1.61	-96.27
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C(=O)NCC2=C1	REAL300000509301	0	35	-2.0	-103.53	323.42	1.44	-102.09
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1F	REAL300000509302	0	36	-2.0	-97.17	340.00	0.98	-96.19
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1C(=O)[O-]	REAL300000509303	0	39	-2.0	-116.84	351.84	1.61	-115.23
CC1=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C(C(=O)[O-])S1	REAL300000509304	0	32	-2.0	-109.24	312.40	0.51	-108.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C(Cl)=C1	REAL300000509305	0	32	-2.0	-96.28	315.76	1.19	-95.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1F	REAL300000509306	0	32	-2.0	-98.33	307.22	0.67	-97.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)S1	REAL300000509307	0	29	-2.0	-99.96	294.98	-0.25	-100.21
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1	REAL300000509308	0	32	-2.0	-101.56	309.11	0.69	-100.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1F	REAL300000509309	0	35	-2.0	-109.74	328.48	1.33	-108.41
COC1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000509310	0	36	-2.0	-100.80	343.02	1.26	-99.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C(F)=C1	REAL300000509311	0	32	-2.0	-97.60	308.17	0.69	-96.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1Cl	REAL300000509312	0	32	-2.0	-96.30	315.19	1.04	-95.26
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C(=O)NCC2=C1	REAL300000509313	0	35	-2.0	-105.16	332.15	1.83	-103.33
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1	REAL300000509314	0	40	-2.0	-95.96	366.44	2.04	-93.92
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1	REAL300000509315	0	34	-2.0	-95.91	330.90	1.29	-94.62
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1	REAL300000509316	0	33	-2.0	-112.49	312.42	-1.66	-114.15
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1	REAL300000509317	0	35	-2.0	-102.90	324.87	1.40	-101.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=CC(Cl)=C1F	REAL300000509318	0	32	-2.0	-101.38	323.41	1.15	-100.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C2C(=O)NCC2=C1	REAL300000509319	0	35	-2.0	-105.71	312.78	1.27	-104.44
CC1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=CC(C(=O)[O-])=C1F	REAL300000509320	0	35	-2.0	-109.44	327.56	1.27	-108.17
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C2C(=O)NCC2=C1	REAL300000509321	0	35	-2.0	-99.32	318.12	1.40	-97.92
CC1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=CC(C(=O)[O-])=C1C	REAL300000509322	0	38	-2.0	-114.51	340.21	1.82	-112.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000509323	0	34	-2.0	-109.54	329.27	1.72	-107.82
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1	REAL300000509324	0	32	-2.0	-100.03	314.46	0.76	-99.27
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C(C)=C1C(=O)[O-]	REAL300000509325	0	38	-2.0	-109.90	337.19	2.01	-107.89
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1C(=O)[O-]	REAL300000509326	0	35	-2.0	-110.70	328.02	1.32	-109.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1Cl	REAL300000509327	0	35	-2.0	-108.88	334.45	1.77	-107.11
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1	REAL300000509328	0	35	-2.0	-113.53	327.74	1.32	-112.21
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1C(=O)[O-]	REAL300000509329	0	38	-2.0	-112.08	336.94	1.82	-110.26
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1CC(=O)[O-]	REAL300000509330	0	39	-2.0	-113.32	353.17	0.77	-112.55
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN=C2C(=O)NCC2=C1	REAL300000509331	0	35	-2.0	-100.19	333.25	1.88	-98.31
CC1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000509332	0	35	-2.0	-108.08	333.95	1.58	-106.50
CCN1C=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1C(=O)[O-]	REAL300000509333	0	36	-2.0	-109.99	330.73	0.84	-109.15
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C(C)=C1CC(=O)[O-]	REAL300000509334	0	44	-2.0	-110.84	367.62	3.48	-107.36
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1C(=O)[O-]	REAL300000509335	0	35	-2.0	-104.80	336.45	1.69	-103.11
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1C(=O)[O-]	REAL300000509336	0	36	-2.0	-112.84	343.03	1.26	-111.58
CC1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=CC=C1C(=O)[O-]	REAL300000509337	0	35	-2.0	-98.66	318.71	1.18	-97.48
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C([N+](=O)[O-])=C1	REAL300000509338	0	37	-2.0	-102.24	345.97	2.82	-99.42
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C(=O)NCC2=C1	REAL300000509339	0	35	-2.0	-110.72	322.66	1.45	-109.27
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1[N+](=O)[O-]	REAL300000509340	0	34	-2.0	-116.42	326.43	2.47	-113.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1F	REAL300000509341	0	32	-2.0	-112.99	306.37	0.66	-112.33
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C1C(=O)[O-]	REAL300000509342	0	35	-2.0	-103.06	327.65	1.30	-101.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=CC2=CC=CC=C21	REAL300000509343	0	38	-2.0	-118.23	343.74	2.75	-115.48
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C1	REAL300000509344	0	31	-2.0	-109.07	299.70	-1.30	-110.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C2C(=O)NCC2=C1	REAL300000509345	0	36	-2.0	-102.65	330.91	0.42	-102.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)=C(Cl)O1	REAL300000509346	0	29	-2.0	-99.05	302.86	-0.39	-99.44
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN=C4C(=O)NCC4=C3)C=C2)CC1	REAL300000509347	0	39	-2.0	-105.80	348.83	2.51	-103.29
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN=C4C(=O)NCC4=C3)C=C2C1	REAL300000509348	0	39	-2.0	-106.52	348.15	2.51	-104.01
CCC1=C(S(=O)(=O)[N-]C2=CN=C3C(=O)NCC3=C2)C=C(C(=O)[O-])O1	REAL300000509349	0	35	-2.0	-105.88	324.84	0.62	-105.26
COC1=CC(F)=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000509377	0	38	-2.0	-108.94	357.68	6.51	-102.43
COC1=CC(F)=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000509400	0	36	-2.0	-106.00	327.20	4.61	-101.39
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1	REAL300000509433	0	35	-2.0	-89.94	342.41	2.52	-87.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC=C1F	REAL300000509434	0	28	-2.0	-110.46	289.73	3.91	-106.55
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1	REAL300000509435	0	36	-2.0	-113.02	344.81	4.98	-108.04
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509436	0	28	-2.0	-109.37	301.61	4.58	-104.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1	REAL300000509437	0	28	-2.0	-95.83	285.94	3.94	-91.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509438	0	28	-2.0	-114.27	285.20	3.88	-110.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1	REAL300000509439	0	32	-2.0	-119.87	313.34	3.69	-116.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC=C1Br	REAL300000509440	0	28	-2.0	-108.34	301.45	4.36	-103.98
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1	REAL300000509441	0	32	-2.0	-95.86	317.40	5.23	-90.63
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000509442	0	31	-2.0	-113.98	301.21	4.41	-109.57
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509443	0	28	-2.0	-110.06	298.26	4.44	-105.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC=C1Cl	REAL300000509444	0	28	-2.0	-108.81	297.71	4.27	-104.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C(Cl)C=C1Cl	REAL300000509445	0	28	-2.0	-99.66	311.52	4.87	-94.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1C	REAL300000509446	0	34	-2.0	-111.38	318.62	5.28	-106.10
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509447	0	28	-2.0	-111.58	290.67	3.94	-107.64
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1	REAL300000509448	0	34	-2.0	-95.07	329.54	5.52	-89.55
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509449	0	25	-2.0	-102.46	279.14	2.96	-99.50
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1	REAL300000509450	0	31	-2.0	-115.43	300.62	4.64	-110.79
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1	REAL300000509451	0	32	-2.0	-94.48	317.02	4.22	-90.26
CN1C=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000509452	0	29	-2.0	-112.36	291.84	3.22	-109.14
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1	REAL300000509453	0	32	-2.0	-115.80	309.40	2.69	-113.11
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509454	0	28	-2.0	-98.57	295.06	3.62	-94.95
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000509455	0	34	-2.0	-110.41	317.41	5.24	-105.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CS1	REAL300000509456	0	25	-2.0	-109.64	276.85	2.91	-106.73
COC1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000509457	0	36	-2.0	-114.27	343.52	3.69	-110.58
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000509458	0	32	-2.0	-118.68	312.49	3.94	-114.74
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509459	0	38	-2.0	-112.97	341.18	6.56	-106.41
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1	REAL300000509460	0	37	-2.0	-117.71	339.09	5.87	-111.84
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1	REAL300000509461	0	34	-2.0	-113.89	315.32	5.59	-108.30
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1	REAL300000509462	0	35	-2.0	-120.18	335.63	4.45	-115.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300000509463	0	30	-3.0	-187.58	313.60	4.44	-183.14
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509464	0	35	-2.0	-113.31	330.20	5.82	-107.49
CC1=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000509465	0	28	-2.0	-107.97	288.20	3.02	-104.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC2=C1OCCO2	REAL300000509466	0	34	-2.0	-118.73	327.35	3.64	-115.09
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509467	0	32	-2.0	-108.83	314.87	3.03	-105.80
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NN(C(F)F)C=C3)C=C2C1	REAL300000509468	0	36	-2.0	-100.49	338.83	4.50	-95.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC(Cl)=C1Cl	REAL300000509469	0	28	-2.0	-103.51	312.87	4.73	-98.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C(Cl)C=C1F	REAL300000509470	0	28	-2.0	-106.60	302.78	4.46	-102.14
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1Cl	REAL300000509471	0	32	-2.0	-97.84	332.30	4.70	-93.14
CC1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC=C1OCC(=O)[O-]	REAL300000509472	0	35	-2.0	-99.93	336.35	4.87	-95.06
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1F	REAL300000509473	0	38	-2.0	-98.59	364.94	5.12	-93.47
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1	REAL300000509474	0	31	-2.0	-99.77	306.66	4.75	-95.02
CC1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC=C1OCCCC(=O)[O-]	REAL300000509475	0	41	-2.0	-100.13	378.80	5.80	-94.33
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1F	REAL300000509476	0	32	-2.0	-98.75	322.49	4.21	-94.54
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000509477	0	35	-2.0	-119.35	334.35	4.85	-114.50
CC1=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000509478	0	28	-2.0	-105.66	295.64	3.82	-101.84
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509479	0	28	-2.0	-97.83	314.18	4.94	-92.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C(Cl)=C1	REAL300000509480	0	28	-2.0	-93.41	299.00	4.48	-88.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C(Br)=C1	REAL300000509481	0	28	-2.0	-92.94	302.35	4.64	-88.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1F	REAL300000509482	0	28	-2.0	-100.38	289.73	3.92	-96.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)S1	REAL300000509483	0	25	-2.0	-102.36	277.45	3.01	-99.35
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509484	0	28	-2.0	-103.87	291.60	3.93	-99.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1F	REAL300000509485	0	31	-2.0	-106.67	311.71	4.64	-102.03
COC1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000509486	0	32	-2.0	-102.77	325.50	4.49	-98.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C(F)=C1	REAL300000509487	0	28	-2.0	-95.08	291.42	4.00	-91.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1Cl	REAL300000509488	0	28	-2.0	-98.48	297.70	4.28	-94.20
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1	REAL300000509489	0	31	-2.0	-101.53	315.39	5.13	-96.40
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1	REAL300000509490	0	36	-2.0	-92.75	349.70	5.34	-87.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1Br	REAL300000509491	0	28	-2.0	-98.04	301.44	4.38	-93.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC(F)=C1F	REAL300000509492	0	28	-2.0	-102.86	296.02	3.97	-98.89
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509493	0	30	-2.0	-97.95	313.38	4.54	-93.41
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509494	0	29	-2.0	-114.49	294.91	1.60	-112.89
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1	REAL300000509495	0	31	-2.0	-99.54	308.14	4.72	-94.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC(Cl)=C1F	REAL300000509496	0	28	-2.0	-104.39	305.90	4.41	-99.98
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1	REAL300000509497	0	31	-2.0	-108.71	295.26	4.49	-104.22
CC1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC(C(=O)[O-])=C1F	REAL300000509498	0	31	-2.0	-112.73	310.02	4.52	-108.21
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1	REAL300000509499	0	31	-2.0	-96.09	301.36	4.70	-91.39
CC1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC(C(=O)[O-])=C1C	REAL300000509500	0	34	-2.0	-117.11	318.66	4.95	-112.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC=C1[N+](=O)[O-]	REAL300000509501	0	30	-2.0	-112.14	311.75	4.96	-107.18
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509502	0	28	-2.0	-97.20	297.69	4.06	-93.14
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C(C)=C1C(=O)[O-]	REAL300000509503	0	34	-2.0	-112.97	319.67	5.26	-107.71
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000509504	0	31	-2.0	-112.51	306.67	4.47	-108.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1Cl	REAL300000509505	0	31	-2.0	-105.60	317.72	5.06	-100.54
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509506	0	31	-2.0	-112.48	310.99	4.62	-107.86
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000509507	0	34	-2.0	-114.74	319.52	5.07	-109.67
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1CC(=O)[O-]	REAL300000509508	0	35	-2.0	-115.06	335.67	4.01	-111.05
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1	REAL300000509509	0	31	-2.0	-97.44	312.22	5.12	-92.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1C(F)(F)F	REAL300000509510	0	31	-2.0	-97.25	315.31	4.69	-92.56
CC1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000509511	0	31	-2.0	-111.60	316.41	4.83	-106.77
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509512	0	28	-2.0	-105.77	306.48	4.48	-101.29
CCN1C=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000509513	0	32	-2.0	-112.58	313.22	4.09	-108.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C(C)=C1CC(=O)[O-]	REAL300000509514	0	40	-2.0	-107.53	350.86	6.78	-100.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C(F)C(Cl)=C1F	REAL300000509515	0	28	-2.0	-101.54	310.80	4.43	-97.11
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000509516	0	31	-2.0	-107.19	315.06	4.84	-102.35
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000509517	0	37	-2.0	-111.47	334.63	5.97	-105.50
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000509518	0	32	-2.0	-115.40	325.52	4.50	-110.90
CC1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000509519	0	31	-2.0	-101.01	301.20	4.42	-96.59
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C([N+](=O)[O-])=C1	REAL300000509520	0	33	-2.0	-100.90	329.22	6.12	-94.78
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1	REAL300000509521	0	31	-2.0	-113.05	304.73	4.72	-108.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1[N+](=O)[O-]	REAL300000509522	0	30	-2.0	-119.18	308.94	5.72	-113.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1F	REAL300000509523	0	28	-2.0	-116.65	288.85	3.91	-112.74
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000509524	0	31	-2.0	-105.49	306.36	4.45	-101.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=CC2=CC=CC=C21	REAL300000509525	0	34	-2.0	-121.03	326.24	6.01	-115.02
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C1	REAL300000509526	0	27	-2.0	-111.45	282.18	1.92	-109.53
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1	REAL300000509527	0	32	-2.0	-99.94	314.16	3.74	-96.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)=C(Cl)O1	REAL300000509528	0	25	-2.0	-101.43	285.34	2.85	-98.58
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN(C(F)F)C=C3)C=C2)CC1	REAL300000509529	0	35	-2.0	-102.50	332.08	5.82	-96.68
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN(C(F)F)C=C3)C=C2C1	REAL300000509530	0	35	-2.0	-111.05	330.63	5.77	-105.28
CCC1=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000509531	0	31	-2.0	-107.77	307.32	3.86	-103.91
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C21	REAL300000509532	1	38	-2.0	-104.66	331.73	4.02	-100.64
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C21	REAL300000509533	1	38	-2.0	-95.11	327.18	4.00	-91.11
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C21	REAL300000509534	1	38	-2.0	-108.33	329.34	3.89	-104.44
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCO2	REAL300000509535	0	42	-2.0	-114.00	357.48	3.69	-110.31
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C21	REAL300000509536	1	42	-2.0	-95.77	360.80	5.19	-90.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)C=C1C(=O)[O-]	REAL300000509537	1	41	-2.0	-108.46	343.27	4.53	-103.93
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C21	REAL300000509538	0	38	-2.0	-104.07	342.39	4.47	-99.60
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C21	REAL300000509539	1	38	-2.0	-103.09	339.70	4.39	-98.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)=C1C	REAL300000509540	1	44	-2.0	-111.14	362.43	5.23	-105.91
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C21	REAL300000509541	0	38	-2.0	-106.06	334.80	3.96	-102.10
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C21	REAL300000509542	1	44	-2.0	-93.83	370.76	5.58	-88.25
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C21	REAL300000509543	0	35	-2.0	-102.74	322.52	2.91	-99.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCO2	REAL300000509544	1	41	-2.0	-109.14	344.78	4.69	-104.45
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C21	REAL300000509545	1	42	-2.0	-93.29	358.27	4.28	-89.01
CN1C=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)OCCN3C)C=C1C(=O)[O-]	REAL300000509546	0	39	-2.0	-106.19	333.83	3.34	-102.85
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCO2	REAL300000509547	1	42	-2.0	-109.47	353.52	2.72	-106.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)=C1	REAL300000509548	0	38	-2.0	-99.47	338.43	3.58	-95.89
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)C=C1C(=O)[O-]	REAL300000509549	1	44	-2.0	-110.45	360.79	5.22	-105.23
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C21	REAL300000509550	0	35	-2.0	-104.99	320.99	2.93	-102.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)C=C1C(=O)[O-]	REAL300000509551	1	42	-2.0	-113.03	354.47	4.06	-108.97
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCO2	REAL300000509552	1	47	-2.0	-111.13	383.24	5.91	-105.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCO2	REAL300000509553	1	44	-2.0	-106.82	359.45	5.62	-101.20
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCO2	REAL300000509554	0	45	-2.0	-113.99	379.77	4.46	-109.53
CN1CCOC2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=C21	REAL300000509555	0	41	-2.0	-112.84	358.05	4.28	-108.56
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=C21	REAL300000509555	1	40	-3.0	-184.68	357.73	4.46	-180.22
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C21	REAL300000509556	1	45	-2.0	-113.49	373.57	5.79	-107.70
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)C=C(C(=O)[O-])O1	REAL300000509557	0	38	-2.0	-102.39	332.33	3.03	-99.36
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)=C1	REAL300000509558	0	42	-2.0	-109.77	358.29	2.99	-106.78
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)=CC=C1OCC(=O)[O-]	REAL300000509559	1	45	-2.0	-93.78	378.34	4.98	-88.80
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCO2	REAL300000509560	1	41	-2.0	-99.84	350.03	4.71	-95.13
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=C21	REAL300000509561	1	42	-2.0	-92.72	364.47	4.35	-88.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)C=C1C(=O)[O-]	REAL300000509562	1	45	-2.0	-113.72	376.34	4.97	-108.75
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)C=C(C(=O)[O-])S1	REAL300000509563	0	38	-2.0	-105.58	339.02	3.78	-101.80
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C21	REAL300000509564	0	38	-2.0	-93.59	342.36	4.46	-89.13
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C21	REAL300000509565	1	38	-2.0	-94.52	331.69	4.03	-90.49
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C21	REAL300000509566	0	35	-2.0	-98.20	321.58	3.02	-95.18
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C21	REAL300000509567	0	38	-2.0	-100.14	335.73	3.96	-96.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)=C1F	REAL300000509568	0	41	-2.0	-107.55	355.07	4.59	-102.96
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C21	REAL300000509569	0	38	-2.0	-95.81	334.77	3.97	-91.84
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C21	REAL300000509570	1	38	-2.0	-92.60	339.66	4.40	-88.20
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCO2	REAL300000509571	1	41	-2.0	-101.58	358.77	5.10	-96.48
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C21	REAL300000509572	1	38	-2.0	-97.34	340.15	3.99	-93.35
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=C21	REAL300000509573	0	40	-2.0	-93.51	357.52	4.57	-88.94
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C21	REAL300000509574	0	39	-2.0	-108.08	339.05	1.62	-106.46
CN1CCOC2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C21	REAL300000509574	1	39	-2.0	-108.41	331.34	2.45	-105.96
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C21	REAL300000509575	1	41	-2.0	-98.64	349.36	4.78	-93.86
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCO2	REAL300000509576	1	41	-2.0	-104.95	339.38	4.53	-100.42
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)=CC(C(=O)[O-])=C1F	REAL300000509577	1	41	-2.0	-108.26	354.15	4.55	-103.71
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCO2	REAL300000509578	1	41	-2.0	-96.10	344.74	4.68	-91.42
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)=CC(C(=O)[O-])=C1C	REAL300000509579	1	44	-2.0	-111.45	362.19	4.96	-106.49
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=C21	REAL300000509580	0	40	-2.0	-107.44	355.91	4.98	-102.46
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C21	REAL300000509581	0	38	-2.0	-97.77	341.06	4.02	-93.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)C(C)=C1C(=O)[O-]	REAL300000509582	1	44	-2.0	-109.09	363.82	5.28	-103.81
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)C=C1C(=O)[O-]	REAL300000509583	0	41	-2.0	-107.20	350.82	4.50	-102.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)=C1Cl	REAL300000509584	0	41	-2.0	-105.90	361.10	5.03	-100.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)=C1	REAL300000509585	0	41	-2.0	-114.02	354.33	4.59	-109.43
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)C=C1C(=O)[O-]	REAL300000509586	1	44	-2.0	-109.01	361.75	5.19	-103.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)C=C1CC(=O)[O-]	REAL300000509587	1	45	-2.0	-109.28	377.66	4.13	-105.15
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCO2	REAL300000509588	1	41	-2.0	-98.35	355.58	5.08	-93.27
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)=CC(C(=O)[O-])=C1Cl	REAL300000509589	1	41	-2.0	-106.99	360.54	4.86	-102.13
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)C=C1C(=O)[O-]	REAL300000509590	0	42	-2.0	-106.82	355.13	4.19	-102.63
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)C=C1C(=O)[O-]	REAL300000509591	1	41	-2.0	-101.72	359.18	4.86	-96.86
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)=CC=C1C(=O)[O-]	REAL300000509592	1	41	-2.0	-96.36	345.35	4.44	-91.92
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCO2	REAL300000509593	1	41	-2.0	-106.40	349.27	4.72	-101.68
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=C21	REAL300000509594	0	40	-2.0	-116.03	353.07	5.74	-110.29
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C21	REAL300000509595	0	38	-2.0	-113.14	332.98	3.92	-109.22
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)C=C1C(=O)[O-]	REAL300000509596	1	41	-2.0	-100.11	350.49	4.47	-95.64
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=C21	REAL300000509597	1	44	-2.0	-115.20	368.23	6.11	-109.09
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C21	REAL300000509598	0	37	-2.0	-107.06	325.54	2.01	-105.05
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCO2	REAL300000509599	0	42	-2.0	-100.27	357.53	3.69	-96.58
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C21	REAL300000509600	0	35	-2.0	-96.51	329.43	2.88	-93.63
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C21	REAL300000509601	1	45	-2.0	-101.97	373.30	5.88	-96.09
CN1CCOC2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C21	REAL300000509602	1	45	-2.0	-105.34	373.41	5.77	-99.57
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCO3)C=C(C(=O)[O-])O1	REAL300000509603	0	41	-2.0	-101.89	351.45	3.88	-98.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(O)CC(F)(F)F)=C2)C=C1	REAL300000509604	1	38	-2.0	-95.68	353.95	4.63	-91.05
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(O)CC(F)(F)F)=C2)=C1	REAL300000509605	1	38	-2.0	-108.65	354.17	4.58	-104.07
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(O)CC(F)(F)F)=C2)=C1	REAL300000509606	0	35	-2.0	-102.90	347.35	3.60	-99.30
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(O)CC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000509607	0	39	-2.0	-107.00	360.81	3.93	-103.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(O)CC(F)(F)F)=C2)=CS1	REAL300000509608	0	35	-2.0	-104.31	345.82	3.62	-100.69
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(O)CC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000509609	0	38	-2.0	-102.52	357.17	3.72	-98.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(O)CC(F)(F)F)=C2)S1	REAL300000509610	0	35	-2.0	-97.43	346.44	3.71	-93.72
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(O)CC(F)(F)F)=C2)=C1	REAL300000509611	0	37	-2.0	-105.42	351.15	2.64	-102.78
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509612	1	37	-2.0	-107.37	342.30	6.51	-100.86
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509613	1	34	-2.0	-107.96	326.87	5.74	-102.22
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C1	REAL300000509614	1	33	-2.0	-103.24	308.00	4.93	-98.31
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1	REAL300000509616	0	28	-2.0	-112.04	280.61	5.35	-106.69
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000509617	0	31	-2.0	-96.11	308.00	4.80	-91.31
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000509617	1	30	-3.0	-157.73	305.54	4.80	-152.93
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000509618	0	27	-2.0	-95.64	283.95	3.71	-91.93
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509619	1	29	-2.0	-101.72	292.92	5.47	-96.25
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509620	1	29	-2.0	-97.54	292.89	5.47	-92.07
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000509621	0	28	-2.0	-101.52	294.31	5.66	-95.86
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)=C1	REAL300000509622	0	31	-2.0	-100.88	314.70	6.98	-93.90
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509623	0	29	-2.0	-112.97	290.18	5.36	-107.61
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300000509624	1	31	-2.0	-99.35	311.57	6.27	-93.08
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1	REAL300000509625	0	28	-2.0	-105.61	288.58	5.79	-99.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1NC(C)=O	REAL300000509626	1	39	-2.0	-116.73	356.16	3.40	-113.33
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300000509627	1	32	-2.0	-97.44	318.06	4.88	-92.56
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509628	0	38	-2.0	-95.77	359.48	4.22	-91.55
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509628	1	37	-3.0	-152.82	357.00	4.23	-148.59
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000509629	0	31	-2.0	-109.32	307.54	5.68	-103.64
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000509629	1	30	-3.0	-169.93	305.08	5.67	-164.26
CC1=C(C)C(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1C	REAL300000509630	1	43	-2.0	-108.34	349.19	8.27	-100.07
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000509631	0	32	-2.0	-102.05	321.40	7.16	-94.89
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1	REAL300000509632	1	37	-2.0	-104.31	334.91	5.02	-99.29
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000509633	1	33	-2.0	-103.09	316.28	6.27	-96.82
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509634	0	38	-3.0	-170.52	360.16	6.73	-163.79
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509634	1	39	-2.0	-101.47	362.98	6.68	-94.79
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509635	0	31	-2.0	-100.15	288.31	2.90	-97.25
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=C1	REAL300000509636	0	25	-2.0	-97.50	285.70	4.80	-92.70
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000509637	0	34	-2.0	-101.91	331.82	7.57	-94.34
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509638	1	46	-2.0	-104.63	378.42	9.07	-95.56
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000509639	1	44	-2.0	-103.77	373.95	8.89	-94.88
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300000509640	1	31	-2.0	-97.02	310.81	6.08	-90.94
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1	REAL300000509641	1	38	-2.0	-106.40	334.81	7.56	-98.84
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509642	0	31	-2.0	-100.06	303.00	5.65	-94.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509642	1	30	-3.0	-158.57	300.52	5.65	-152.92
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509643	0	36	-2.0	-112.68	329.82	4.15	-108.53
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OC	REAL300000509644	1	36	-2.0	-103.31	330.80	4.29	-99.02
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1	REAL300000509645	1	35	-2.0	-106.63	317.63	6.99	-99.64
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509646	0	30	-2.0	-95.31	287.00	4.00	-91.31
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1	REAL300000509647	1	28	-2.0	-96.11	303.99	6.06	-90.05
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2)=CC=C1	REAL300000509648	0	31	-2.0	-100.91	303.00	5.64	-95.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2)=CC=C1	REAL300000509648	1	30	-3.0	-173.00	300.54	5.64	-167.36
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300000509649	1	28	-2.0	-95.36	284.78	5.20	-90.16
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1	REAL300000509650	0	28	-2.0	-101.32	301.94	6.17	-95.15
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300000509651	1	31	-2.0	-101.09	310.81	6.08	-95.01
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509652	1	31	-2.0	-105.59	293.48	5.75	-99.84
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1	REAL300000509654	0	31	-2.0	-108.39	297.96	6.46	-101.93
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)=C1	REAL300000509655	1	31	-2.0	-95.51	324.00	6.50	-89.01
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300000509656	1	28	-2.0	-101.55	288.81	5.60	-95.95
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)=C1	REAL300000509657	0	31	-2.0	-100.61	323.96	6.64	-93.97
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509658	1	33	-2.0	-103.57	313.32	5.49	-98.08
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509659	1	34	-2.0	-105.42	308.98	6.51	-98.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000509660	1	34	-2.0	-106.38	311.20	6.32	-100.06
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1	REAL300000509661	1	28	-2.0	-95.55	294.67	5.65	-89.90
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509662	1	33	-2.0	-114.17	312.57	5.47	-108.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000509663	1	34	-2.0	-104.90	308.98	6.51	-98.39
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509664	0	34	-2.0	-118.02	319.08	6.44	-111.58
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509665	0	37	-2.0	-99.59	348.71	6.67	-92.92
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1	REAL300000509666	0	28	-2.0	-103.52	300.40	6.09	-97.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000509667	1	34	-2.0	-102.49	327.60	5.83	-96.66
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509668	1	40	-2.0	-104.28	348.29	7.41	-96.87
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509669	1	37	-2.0	-104.25	332.31	7.01	-97.24
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509670	1	40	-2.0	-104.15	350.76	7.67	-96.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509671	0	34	-3.0	-177.21	328.69	5.44	-171.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509671	1	35	-2.0	-102.74	331.46	5.36	-97.38
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509672	0	35	-2.0	-100.20	334.47	6.93	-93.27
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509672	1	34	-3.0	-158.50	331.99	6.94	-151.56
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1	REAL300000509673	0	28	-2.0	-106.27	295.72	6.40	-99.87
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300000509674	0	25	-2.0	-97.38	281.06	4.70	-92.68
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509675	1	37	-2.0	-104.16	336.47	7.30	-96.86
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509676	0	32	-2.0	-111.52	300.34	4.86	-106.66
CC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000509677	0	34	-2.0	-107.66	319.03	6.17	-101.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000509677	1	33	-3.0	-174.63	316.56	6.17	-168.46
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509678	0	39	-2.0	-125.91	356.71	3.74	-122.17
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1	REAL300000509679	0	28	-2.0	-99.96	290.14	5.27	-94.69
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1	REAL300000509680	1	28	-2.0	-96.39	305.54	6.11	-90.28
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1	REAL300000509681	0	28	-2.0	-106.26	285.22	5.64	-100.62
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1	REAL300000509682	1	28	-2.0	-101.43	293.37	5.71	-95.72
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300000509683	0	30	-2.0	-102.10	300.30	5.75	-96.35
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509684	0	33	-2.0	-100.92	315.79	6.52	-94.40
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=C1	REAL300000509685	0	30	-2.0	-96.39	312.75	6.13	-90.26
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000509686	0	25	-2.0	-102.93	264.01	4.08	-98.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509687	1	32	-2.0	-102.76	301.56	4.38	-98.38
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300000509688	0	30	-2.0	-117.23	293.17	6.49	-110.74
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2)=C1	REAL300000509689	0	30	-3.0	-167.40	313.61	6.21	-161.19
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2)=C1	REAL300000509689	1	31	-2.0	-96.80	316.29	6.18	-90.62
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000509690	0	31	-2.0	-105.78	315.51	6.04	-99.74
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000509690	1	30	-3.0	-168.69	313.05	6.03	-162.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509691	1	31	-2.0	-105.00	293.48	5.76	-99.24
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509692	1	35	-2.0	-102.50	323.42	5.31	-97.19
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1	REAL300000509693	0	28	-2.0	-100.95	283.99	5.21	-95.74
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300000509694	1	28	-2.0	-101.66	278.49	5.15	-96.51
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1	REAL300000509695	0	28	-2.0	-95.68	284.90	5.22	-90.46
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000509696	1	40	-2.0	-105.79	335.59	7.78	-98.01
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300000509697	1	34	-2.0	-105.10	316.57	4.24	-100.86
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000509698	1	37	-2.0	-105.21	323.62	7.41	-97.80
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509699	1	43	-2.0	-106.50	363.77	8.17	-98.33
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300000509700	1	28	-2.0	-98.52	288.81	5.60	-92.92
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1	REAL300000509701	1	28	-2.0	-98.38	293.37	5.71	-92.67
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300000509702	0	30	-2.0	-93.64	300.31	5.75	-87.89
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509703	1	35	-2.0	-109.90	328.14	3.97	-105.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000509704	0	28	-2.0	-103.93	285.89	4.88	-99.05
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509705	1	44	-2.0	-108.65	387.20	6.01	-102.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000509706	0	37	-2.0	-104.95	335.69	6.97	-97.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000509706	1	36	-3.0	-174.12	333.21	6.99	-167.13
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509707	0	32	-2.0	-104.68	317.07	5.38	-99.30
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509708	1	31	-2.0	-101.10	308.86	6.47	-94.63
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=C1	REAL300000509709	0	30	-2.0	-107.84	309.90	7.01	-100.83
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2)=C1	REAL300000509710	0	30	-3.0	-168.81	306.02	5.70	-163.11
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1	REAL300000509711	0	25	-2.0	-96.53	294.92	5.24	-91.29
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509712	1	43	-2.0	-104.03	375.53	8.59	-95.44
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509713	0	33	-2.0	-100.91	310.32	6.35	-94.56
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1	REAL300000509714	0	28	-2.0	-103.91	283.99	5.21	-98.70
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509715	0	37	-2.0	-99.02	346.59	7.23	-91.79
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509715	1	36	-3.0	-157.66	344.11	7.23	-150.43
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509716	1	38	-2.0	-109.72	348.72	4.79	-104.93
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1	REAL300000509717	1	32	-2.0	-100.77	307.83	1.90	-98.87
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)=C1	REAL300000509718	1	35	-2.0	-102.20	342.99	5.77	-96.43
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509719	1	32	-2.0	-102.61	312.27	6.10	-96.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=CC(F)=C1	REAL300000509720	1	33	-2.0	-101.63	314.11	3.53	-98.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=CC(F)=C1	REAL300000509721	1	36	-2.0	-102.63	331.89	4.27	-98.36
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OCC	REAL300000509722	1	42	-2.0	-103.42	374.52	6.13	-97.29
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)=C1	REAL300000509723	1	33	-2.0	-102.44	320.35	5.26	-97.18
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2)=C1	REAL300000509724	0	27	-3.0	-166.08	293.73	4.66	-161.42
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1	REAL300000509725	1	31	-2.0	-100.35	303.83	2.59	-97.76
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509727	0	34	-2.0	-104.65	315.60	5.99	-98.66
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509727	1	33	-3.0	-171.90	315.98	6.43	-165.47
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509728	0	34	-2.0	-103.53	308.77	4.11	-99.42
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509729	1	36	-2.0	-109.73	348.70	1.25	-108.48
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000509730	0	36	-2.0	-100.94	333.08	7.09	-93.85
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C2CC1C	REAL300000509731	1	42	-2.0	-112.53	366.66	6.67	-105.86
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509732	0	34	-2.0	-99.93	326.84	5.75	-94.18
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509733	1	35	-2.0	-104.13	328.51	3.36	-100.77
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509734	0	33	-2.0	-105.42	326.26	0.04	-105.38
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)=C1	REAL300000509735	1	32	-2.0	-100.96	327.35	5.21	-95.75
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)=C1	REAL300000509736	1	39	-2.0	-111.36	349.87	6.20	-105.16
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000509737	1	42	-2.0	-115.72	363.64	6.64	-109.08
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509738	0	37	-2.0	-115.90	344.20	6.75	-109.15
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509739	1	32	-2.0	-104.04	306.58	1.86	-102.18
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000509740	1	39	-2.0	-113.06	352.67	6.21	-106.85
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509741	1	34	-2.0	-104.41	314.97	6.52	-97.89
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300000509742	1	34	-2.0	-107.51	318.03	7.36	-100.15
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=CS1	REAL300000509743	0	31	-2.0	-114.25	311.67	5.38	-108.87
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509744	1	38	-2.0	-103.65	348.64	5.59	-98.06
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509746	0	35	-2.0	-98.08	334.09	5.92	-92.16
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509746	1	34	-3.0	-157.38	331.61	5.93	-151.45
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000509747	1	42	-2.0	-105.10	377.13	5.32	-99.78
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=C1	REAL300000509748	1	39	-2.0	-106.28	356.31	9.20	-97.08
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509749	1	40	-2.0	-104.42	353.23	7.77	-96.65
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1	REAL300000509750	1	28	-2.0	-97.86	278.48	5.15	-92.71
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1	REAL300000509751	0	28	-2.0	-109.23	277.56	5.14	-104.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=C3NC(=O)CC3=C2)=CC(F)=C1	REAL300000509753	0	33	-2.0	-101.93	327.20	4.07	-97.86
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C1	REAL300000509754	1	33	-2.0	-101.05	314.46	5.59	-95.46
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509755	0	34	-2.0	-117.37	324.93	3.67	-113.70
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=C2N=C1	REAL300000509756	0	36	-2.0	-120.95	333.43	6.35	-114.60
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509757	1	38	-2.0	-102.00	344.92	6.11	-95.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(Cl)=C1	REAL300000509758	0	31	-2.0	-105.93	306.62	6.30	-99.63
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1	REAL300000509759	0	32	-2.0	-107.33	316.84	5.35	-101.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=CC(F)=C1	REAL300000509760	1	34	-2.0	-101.25	322.81	2.31	-98.94
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509761	1	33	-2.0	-106.91	326.32	0.04	-106.87
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000509762	1	36	-2.0	-101.89	334.93	5.50	-96.39
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000509763	0	34	-2.0	-112.73	322.64	5.79	-106.94
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)=C1	REAL300000509764	1	34	-2.0	-101.00	328.63	2.08	-98.92
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C2C1=O	REAL300000509765	0	35	-2.0	-98.96	337.71	4.34	-94.62
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000509766	1	33	-2.0	-98.85	319.77	6.58	-92.27
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000509767	1	34	-2.0	-101.72	326.22	5.04	-96.68
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300000509768	1	32	-2.0	-99.29	318.08	4.88	-94.41
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509769	0	34	-2.0	-109.79	332.78	2.60	-107.19
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509770	1	31	-2.0	-97.65	293.97	5.92	-91.73
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509771	0	36	-2.0	-105.00	348.69	1.25	-103.75
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=C1	REAL300000509772	1	38	-2.0	-108.31	341.94	8.94	-99.37
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300000509773	0	28	-2.0	-98.47	291.61	5.71	-92.76
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=C1	REAL300000509774	0	40	-2.0	-111.39	358.01	4.41	-106.98
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000509775	0	35	-2.0	-116.48	333.92	4.03	-112.45
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509776	1	34	-2.0	-113.14	332.79	2.61	-110.53
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)=C1	REAL300000509777	1	37	-2.0	-105.62	346.29	7.78	-97.84
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OC	REAL300000509779	0	36	-2.0	-105.10	336.29	4.35	-100.75
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OC	REAL300000509780	1	39	-2.0	-103.31	346.25	5.06	-98.25
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000509781	0	31	-3.0	-170.82	307.19	4.99	-165.83
CN1C=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000509781	1	32	-2.0	-101.40	309.66	4.98	-96.42
CN1C=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000509782	0	28	-2.0	-111.17	289.55	4.65	-106.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(Br)=C1	REAL300000509783	0	31	-2.0	-105.28	309.98	6.44	-98.84
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000509784	0	33	-2.0	-102.81	314.08	1.24	-101.57
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509785	0	35	-2.0	-105.77	327.54	4.44	-101.33
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509785	1	34	-3.0	-172.58	324.75	4.46	-168.12
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509786	0	34	-2.0	-106.81	339.94	6.30	-100.51
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509787	1	39	-2.0	-104.44	357.05	4.58	-99.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000509788	1	32	-2.0	-101.19	317.60	4.94	-96.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000509789	1	32	-2.0	-101.10	307.79	4.46	-96.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000509790	1	35	-2.0	-103.70	321.66	5.13	-98.57
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000509791	1	38	-2.0	-103.36	343.51	6.05	-97.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000509792	1	35	-2.0	-99.80	322.65	2.53	-97.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000509793	1	36	-2.0	-101.68	333.90	2.46	-99.22
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509794	0	33	-2.0	-93.38	315.79	6.52	-86.86
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CN1C	REAL300000509796	0	36	-2.0	-103.54	336.03	2.73	-100.81
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509797	1	31	-2.0	-101.11	304.29	6.37	-94.74
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509798	1	41	-2.0	-102.10	365.02	6.80	-95.30
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=N2)C=C1	REAL300000509799	0	38	-2.0	-102.91	354.05	6.88	-96.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)=CC(F)=C1	REAL300000509801	1	39	-2.0	-103.90	347.65	5.21	-98.69
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000509802	1	38	-2.0	-103.67	345.66	5.97	-97.70
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)=C1	REAL300000509803	1	36	-2.0	-104.21	335.62	4.93	-99.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509804	0	30	-3.0	-161.62	309.65	5.33	-156.29
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000509805	1	29	-2.0	-94.67	308.30	5.89	-88.78
N#CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000509806	1	29	-2.0	-95.42	308.31	5.89	-89.53
CC1=CC(C)=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000509807	0	37	-2.0	-103.07	334.57	6.93	-96.14
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000509807	1	36	-3.0	-173.49	332.00	6.97	-166.52
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C1	REAL300000509808	1	32	-2.0	-109.40	310.44	5.45	-103.95
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CN=C12	REAL300000509809	1	37	-2.0	-107.12	337.39	4.86	-102.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000509810	1	31	-2.0	-102.11	307.54	6.19	-95.92
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1	REAL300000509811	0	28	-2.0	-106.32	293.75	5.64	-100.68
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Br)=C1	REAL300000509812	0	28	-2.0	-97.89	294.97	5.85	-92.04
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000509813	1	41	-2.0	-103.48	361.43	6.67	-96.81
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509814	0	34	-2.0	-99.21	328.55	5.53	-93.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000509815	1	38	-2.0	-110.42	341.45	6.74	-103.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000509816	1	31	-2.0	-101.95	298.80	5.79	-96.16
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509817	1	31	-2.0	-98.36	304.30	6.36	-92.00
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)=C1	REAL300000509818	0	28	-2.0	-98.27	312.41	6.90	-91.37
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509819	0	31	-2.0	-109.36	298.99	5.80	-103.56
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509820	1	31	-2.0	-101.21	293.97	5.92	-95.29
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C1	REAL300000509821	1	34	-2.0	-103.40	332.12	7.15	-96.25
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509822	0	33	-2.0	-116.62	310.43	7.42	-109.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)=CC(F)=C1	REAL300000509823	0	36	-2.0	-105.96	337.38	4.33	-101.63
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300000509824	0	32	-2.0	-100.15	318.67	6.86	-93.29
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509825	1	38	-2.0	-117.87	341.36	4.77	-113.10
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)=C1	REAL300000509826	1	42	-2.0	-102.45	366.12	7.28	-95.17
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509827	0	36	-2.0	-121.07	333.35	6.36	-114.71
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509828	1	44	-2.0	-101.78	383.98	7.41	-94.37
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509829	1	38	-2.0	-106.19	357.93	6.00	-100.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2)=CS1	REAL300000509830	0	27	-3.0	-168.04	292.19	4.68	-163.36
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2)=CS1	REAL300000509830	1	28	-2.0	-105.50	294.70	4.69	-100.81
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000509831	0	31	-2.0	-106.81	314.45	6.97	-99.84
COC1=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000509832	0	39	-2.0	-110.40	361.33	5.46	-104.94
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000509832	1	38	-3.0	-173.29	358.87	5.45	-167.84
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509833	1	37	-2.0	-109.79	348.27	3.37	-106.42
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=C1	REAL300000509834	0	30	-2.0	-93.99	313.44	6.32	-87.67
COC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000509835	0	35	-2.0	-106.62	330.30	5.71	-100.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000509835	1	34	-3.0	-179.17	327.83	5.71	-173.46
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CN=C2C=C1	REAL300000509836	0	36	-2.0	-105.83	322.05	6.45	-99.38
COC(=O)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509837	1	41	-2.0	-105.67	378.88	6.15	-99.52
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=C1	REAL300000509838	0	25	-2.0	-101.94	284.39	4.64	-97.30
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000509839	1	35	-2.0	-101.66	335.69	3.77	-97.89
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509840	1	41	-2.0	-112.45	375.76	4.88	-107.57
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1	REAL300000509841	0	30	-2.0	-110.86	297.02	6.53	-104.33
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509842	0	42	-2.0	-113.09	382.24	3.87	-109.22
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000509843	0	41	-2.0	-104.84	356.81	7.81	-97.03
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000509843	1	40	-3.0	-176.54	355.78	8.27	-168.27
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509844	0	40	-2.0	-103.73	354.88	7.23	-96.50
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509844	1	39	-3.0	-175.06	354.44	7.65	-167.41
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300000509845	1	38	-2.0	-105.20	346.26	8.50	-96.70
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1	REAL300000509846	0	30	-2.0	-113.31	305.47	6.45	-106.86
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509847	0	37	-2.0	-114.18	353.02	3.55	-110.63
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509848	1	39	-2.0	-114.01	362.83	4.75	-109.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000509849	1	35	-2.0	-102.76	317.04	5.15	-97.61
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000509850	1	38	-2.0	-103.59	337.11	5.88	-97.71
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)=C1	REAL300000509851	1	39	-2.0	-114.58	360.15	5.06	-109.52
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509852	0	32	-2.0	-106.55	303.27	3.44	-103.11
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509853	0	37	-2.0	-104.18	332.97	6.86	-97.32
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509853	1	36	-3.0	-170.57	330.68	7.36	-163.21
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1	REAL300000509854	0	31	-2.0	-108.28	311.58	5.99	-102.29
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)=C2	REAL300000509855	1	41	-2.0	-111.12	371.94	8.92	-102.20
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509856	0	37	-3.0	-176.84	350.97	6.20	-170.64
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509856	1	38	-2.0	-107.25	353.71	6.16	-101.09
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000509857	0	33	-3.0	-175.32	331.42	6.21	-169.11
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000509857	1	32	-4.0	-255.87	328.95	6.19	-249.68
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000509858	0	31	-2.0	-98.01	319.95	4.84	-93.17
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2)=C1	REAL300000509859	0	38	-2.0	-105.37	347.43	7.52	-97.85
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2)=C1	REAL300000509859	1	37	-3.0	-176.52	344.79	7.54	-168.98
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000509860	1	34	-2.0	-108.65	337.16	2.63	-106.02
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000509861	0	36	-2.0	-117.37	329.01	7.66	-109.71
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C1	REAL300000509862	0	32	-2.0	-97.56	309.90	5.45	-92.11
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1	REAL300000509863	0	28	-2.0	-101.93	286.99	5.43	-96.50
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000509864	0	38	-2.0	-111.27	368.18	4.01	-107.26
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000509865	0	38	-2.0	-102.55	365.60	4.06	-98.49
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000509866	0	30	-3.0	-163.64	303.55	4.79	-158.85
CC1=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000509866	1	31	-2.0	-102.82	306.53	4.73	-98.09
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1	REAL300000509867	0	31	-2.0	-124.39	300.27	4.28	-120.11
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509868	0	34	-2.0	-109.18	332.34	5.79	-103.39
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509869	0	38	-2.0	-113.22	343.60	6.45	-106.77
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300000509870	1	31	-2.0	-95.04	316.42	6.14	-88.90
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509871	1	44	-2.0	-104.17	383.04	6.82	-97.35
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509872	1	44	-2.0	-101.82	387.91	7.67	-94.15
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1	REAL300000509873	0	30	-2.0	-116.53	306.13	7.25	-109.28
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1	REAL300000509874	1	33	-2.0	-114.84	320.37	5.26	-109.58
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000509875	1	41	-2.0	-109.91	363.30	7.67	-102.24
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000509876	0	37	-2.0	-106.11	345.18	5.42	-100.69
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000509876	1	36	-3.0	-178.21	342.71	5.41	-172.80
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)=C1	REAL300000509877	1	32	-2.0	-98.46	328.46	6.55	-91.91
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1	REAL300000509878	0	27	-2.0	-96.04	288.40	3.88	-92.16
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509880	1	42	-2.0	-104.41	378.90	5.54	-98.87
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509881	0	34	-2.0	-112.56	338.29	2.67	-109.89
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1	REAL300000509882	0	30	-2.0	-120.19	298.09	6.71	-113.48
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509883	0	34	-3.0	-175.61	329.53	4.73	-170.88
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509883	1	35	-2.0	-107.18	332.29	4.70	-102.48
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000509884	0	39	-2.0	-98.71	355.92	6.25	-92.46
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000509884	1	38	-3.0	-159.82	354.18	6.26	-153.56
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000509885	0	35	-2.0	-103.27	332.65	6.19	-97.08
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000509886	0	38	-2.0	-102.73	358.07	6.64	-96.09
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000509887	0	30	-3.0	-163.41	318.13	6.23	-157.18
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000509887	1	31	-2.0	-97.35	320.83	6.22	-91.13
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1	REAL300000509888	0	27	-2.0	-95.91	273.48	3.36	-92.55
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)=C1	REAL300000509889	0	28	-2.0	-103.72	298.88	5.77	-97.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000509890	1	34	-2.0	-101.52	326.52	6.61	-94.91
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000509891	1	38	-2.0	-102.20	352.33	5.99	-96.21
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509892	0	31	-2.0	-103.19	320.13	4.74	-98.45
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509893	0	36	-2.0	-99.83	330.52	7.46	-92.37
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=C1	REAL300000509894	0	33	-2.0	-106.16	308.24	5.50	-100.66
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)=C1	REAL300000509895	0	34	-2.0	-107.28	345.32	5.79	-101.49
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1	REAL300000509896	0	27	-2.0	-97.42	297.24	4.22	-93.20
CC1=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1OCC(=O)[O-]	REAL300000509897	0	38	-2.0	-98.37	354.17	6.63	-91.74
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1OCC(=O)[O-]	REAL300000509897	1	37	-3.0	-157.82	351.70	6.63	-151.19
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300000509898	1	38	-2.0	-102.47	338.89	6.08	-96.39
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C12	REAL300000509899	0	36	-2.0	-99.47	338.41	4.81	-94.66
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C12	REAL300000509900	0	32	-2.0	-95.61	311.83	2.06	-93.55
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000509901	0	28	-2.0	-94.38	288.03	3.60	-90.78
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=C1	REAL300000509902	1	37	-2.0	-105.96	353.62	7.93	-98.03
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1	REAL300000509903	0	28	-2.0	-107.32	283.86	5.21	-102.11
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000509904	0	32	-2.0	-107.24	310.07	4.67	-102.57
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509905	0	34	-2.0	-112.23	334.03	6.99	-105.24
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1	REAL300000509906	0	30	-2.0	-110.86	307.35	6.99	-103.87
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509907	0	34	-2.0	-98.41	323.89	6.44	-91.97
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509907	1	33	-3.0	-162.23	321.25	6.46	-155.77
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1	REAL300000509908	0	34	-2.0	-110.37	315.22	4.72	-105.65
CC1=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CN1C	REAL300000509909	0	31	-2.0	-115.18	295.78	3.96	-111.22
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000509910	0	35	-2.0	-99.48	340.30	5.99	-93.49
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000509910	1	34	-3.0	-156.53	337.84	5.99	-150.54
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1	REAL300000509911	0	32	-2.0	-107.14	310.10	5.12	-102.02
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509912	1	37	-2.0	-107.72	348.74	6.66	-101.06
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000509913	0	31	-2.0	-102.03	298.17	3.65	-98.38
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509914	0	40	-2.0	-99.25	370.20	7.46	-91.79
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CN=C21	REAL300000509915	0	36	-2.0	-96.56	341.43	2.57	-93.99
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509916	1	35	-2.0	-106.39	327.15	4.80	-101.59
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509917	0	34	-2.0	-112.15	323.71	6.54	-105.61
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=C1	REAL300000509918	0	36	-2.0	-113.02	335.07	5.62	-107.40
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300000509919	0	31	-2.0	-103.05	316.32	6.14	-96.91
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)=C1	REAL300000509920	0	31	-2.0	-100.28	304.36	6.53	-93.75
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1	REAL300000509921	0	28	-2.0	-103.96	304.15	5.18	-98.78
CCOC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000509922	0	38	-2.0	-107.18	352.14	6.62	-100.56
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000509922	1	37	-3.0	-179.88	349.69	6.62	-173.26
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1	REAL300000509923	1	33	-2.0	-103.37	308.05	4.38	-98.99
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000509924	1	37	-2.0	-97.72	353.29	6.69	-91.03
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1	REAL300000509925	0	28	-2.0	-101.29	291.61	5.71	-95.58
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)=CO1	REAL300000509926	1	37	-2.0	-107.48	348.47	4.14	-103.34
CC1CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000509928	1	36	-2.0	-103.62	329.00	5.66	-97.96
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=C1	REAL300000509929	0	32	-2.0	-98.48	316.38	1.93	-96.55
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509930	1	32	-2.0	-106.64	301.58	4.38	-102.26
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509931	1	31	-2.0	-105.08	287.15	5.87	-99.21
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000509932	0	34	-2.0	-108.12	333.71	3.30	-104.82
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000509932	1	33	-3.0	-166.43	330.39	2.18	-164.25
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)CC2CCCO2)=C1	REAL300000509934	1	32	-2.0	-106.53	291.43	3.30	-103.23
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)CC2CCCCO2)=C1	REAL300000509935	1	35	-2.0	-105.17	308.93	4.37	-100.80
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000509938	0	34	-2.0	-98.08	336.88	5.82	-92.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000509939	0	31	-2.0	-108.80	298.99	5.81	-102.99
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000509940	0	32	-2.0	-100.26	330.70	5.50	-94.76
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000509941	1	31	-2.0	-98.38	298.80	5.78	-92.60
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)O1	REAL300000509942	0	31	-2.0	-98.52	311.62	3.87	-94.65
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1	REAL300000509943	0	33	-2.0	-120.93	311.99	5.71	-115.22
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300000509944	0	34	-2.0	-110.69	338.93	5.72	-104.97
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1	REAL300000509945	0	28	-2.0	-96.12	290.25	5.27	-90.85
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000509946	0	30	-3.0	-167.78	309.14	5.54	-162.24
CC1=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000509946	1	31	-2.0	-103.11	312.76	5.52	-97.59
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000509947	1	37	-2.0	-107.08	336.91	6.38	-100.70
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509948	0	32	-2.0	-106.53	314.69	4.95	-101.58
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CN=C1Cl	REAL300000509949	0	30	-2.0	-96.32	302.73	4.30	-92.02
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509950	0	34	-2.0	-113.41	331.15	2.61	-110.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1C	REAL300000509951	1	38	-2.0	-104.12	332.30	5.79	-98.33
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509952	1	37	-2.0	-109.53	349.03	6.53	-103.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)N(C)C	REAL300000509954	1	42	-2.0	-102.75	374.72	4.59	-98.16
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000509955	1	39	-2.0	-125.69	351.26	6.13	-119.56
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509956	0	40	-2.0	-104.16	351.25	5.69	-98.47
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)SC=C1	REAL300000509957	0	28	-2.0	-105.48	282.82	4.71	-100.77
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509958	0	34	-2.0	-101.63	343.59	6.25	-95.38
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000509959	0	37	-2.0	-103.56	331.51	5.02	-98.54
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000509960	0	37	-2.0	-100.23	342.90	6.27	-93.96
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000509961	0	33	-2.0	-94.07	316.30	6.27	-87.80
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000509963	1	36	-2.0	-116.83	331.66	3.54	-113.29
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509964	1	37	-2.0	-117.53	357.10	3.29	-114.24
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509965	1	32	-2.0	-101.07	308.34	6.26	-94.81
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000509966	1	35	-2.0	-112.22	333.00	4.09	-108.13
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000509967	0	33	-2.0	-102.14	324.46	6.44	-95.70
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509968	1	40	-2.0	-103.97	324.31	7.76	-96.21
CC1CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC(Cl)=C2O1	REAL300000509969	1	36	-2.0	-101.13	345.86	6.21	-94.92
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000509970	1	38	-2.0	-122.58	345.67	4.83	-117.75
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000509971	1	42	-2.0	-125.47	363.93	6.68	-118.79
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509972	0	32	-2.0	-106.31	309.76	5.54	-100.77
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509973	1	32	-2.0	-97.45	308.33	6.24	-91.21
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509974	1	40	-2.0	-106.89	336.81	8.31	-98.58
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=C1	REAL300000509976	1	37	-2.0	-111.23	340.75	5.15	-106.08
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1OC	REAL300000509977	1	38	-2.0	-103.20	354.16	5.78	-97.42
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000509978	0	29	-2.0	-100.56	298.38	5.54	-95.02
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)=C1	REAL300000509979	0	31	-2.0	-108.59	310.52	7.12	-101.47
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C2O1	REAL300000509980	1	33	-2.0	-102.59	315.72	2.74	-99.85
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000509981	0	34	-2.0	-102.04	316.84	4.16	-97.88
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509982	0	33	-2.0	-109.60	311.18	1.42	-108.18
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1	REAL300000509983	1	33	-2.0	-105.38	313.04	5.46	-99.92
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000509984	0	34	-2.0	-108.91	331.44	3.85	-105.06
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CN1	REAL300000509985	0	34	-2.0	-110.56	315.88	3.53	-107.03
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000509986	0	31	-2.0	-107.41	313.92	6.88	-100.53
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC=N1	REAL300000509988	0	37	-2.0	-106.60	346.64	6.31	-100.29
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000509990	0	32	-2.0	-102.85	328.89	6.35	-96.50
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000509991	0	28	-2.0	-90.35	291.07	5.27	-85.08
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509992	1	39	-2.0	-102.19	354.70	6.92	-95.27
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CN1C	REAL300000509994	0	35	-2.0	-107.45	333.25	5.18	-102.27
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000509995	1	43	-2.0	-104.24	362.52	7.87	-96.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2)C(Cl)=C1	REAL300000509996	0	30	-3.0	-157.12	313.59	6.20	-150.92
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2)C(Cl)=C1	REAL300000509996	1	31	-2.0	-96.71	316.24	6.18	-90.53
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000509997	0	31	-2.0	-102.49	307.55	5.68	-96.81
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000509997	1	30	-3.0	-157.89	305.07	5.68	-152.21
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000509998	1	36	-2.0	-113.85	338.19	4.50	-109.35
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=C1	REAL300000509999	0	35	-2.0	-106.36	337.04	6.35	-100.01
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510000	0	28	-2.0	-102.75	306.27	5.44	-97.31
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Br)C(F)=C2)=C1	REAL300000510001	1	28	-2.0	-95.74	299.08	5.75	-89.99
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510002	1	38	-2.0	-112.66	339.45	5.29	-107.37
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C)=C1F	REAL300000510003	1	34	-2.0	-99.05	319.12	6.42	-92.63
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2)=C1	REAL300000510004	1	28	-2.0	-95.67	299.08	5.75	-89.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(Cl)=C1Cl	REAL300000510005	0	32	-2.0	-103.05	329.15	5.45	-97.60
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000510006	0	39	-2.0	-107.83	359.82	5.83	-102.00
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=C1	REAL300000510007	0	31	-2.0	-98.42	316.91	3.15	-95.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2)S1	REAL300000510008	0	27	-3.0	-160.31	292.81	4.77	-155.54
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510009	0	37	-2.0	-113.03	336.78	6.04	-106.99
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510010	0	31	-2.0	-95.95	309.41	5.71	-90.24
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510010	1	30	-3.0	-163.23	306.95	5.71	-157.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1F	REAL300000510011	0	33	-3.0	-170.39	326.31	6.34	-164.05
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510012	1	42	-2.0	-101.71	364.88	7.14	-94.57
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CN1	REAL300000510013	0	32	-2.0	-104.94	315.48	3.42	-101.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2)C(F)=C1	REAL300000510014	0	30	-3.0	-158.68	306.01	5.71	-152.97
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000510015	0	31	-2.0	-98.75	315.51	6.04	-92.71
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000510015	1	30	-3.0	-156.24	313.04	6.04	-150.20
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510016	1	31	-2.0	-101.56	292.47	5.91	-95.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Br	REAL300000510017	1	31	-2.0	-102.22	311.57	6.28	-95.94
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000510018	1	37	-2.0	-102.14	342.92	6.27	-95.87
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CS1	REAL300000510019	0	31	-2.0	-103.62	319.35	4.76	-98.86
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000510020	1	34	-2.0	-97.57	331.41	5.76	-91.81
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510021	0	30	-2.0	-101.19	297.28	3.64	-97.55
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510022	1	32	-2.0	-109.52	314.32	6.26	-103.26
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510023	0	36	-2.0	-93.70	330.43	7.42	-86.28
CC(=O)NC1=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300000510024	1	36	-2.0	-97.46	337.13	2.00	-95.46
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510027	0	34	-2.0	-98.87	332.59	6.82	-92.05
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510027	1	33	-3.0	-164.08	329.98	6.85	-157.23
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510028	1	34	-2.0	-100.62	326.30	6.85	-93.77
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510029	0	28	-2.0	-98.24	305.28	5.40	-92.84
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510030	1	34	-2.0	-105.81	314.97	6.51	-99.30
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=C1	REAL300000510031	0	31	-2.0	-101.45	327.73	7.01	-94.44
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510032	1	31	-2.0	-101.57	299.91	5.82	-95.75
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510034	0	39	-2.0	-97.81	366.76	7.06	-90.75
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510034	1	38	-3.0	-155.44	364.29	7.05	-148.39
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510035	0	34	-2.0	-99.53	329.97	4.54	-94.99
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=C1	REAL300000510036	1	34	-2.0	-101.17	323.47	4.14	-97.03
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000510037	0	31	-2.0	-103.52	313.85	5.74	-97.78
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000510037	1	30	-3.0	-160.83	311.37	5.73	-155.10
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000510038	0	32	-3.0	-157.38	328.73	6.31	-151.07
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000510038	1	33	-2.0	-98.19	331.21	6.31	-91.88
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=C1	REAL300000510039	0	31	-2.0	-106.34	325.44	6.95	-99.39
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510040	0	38	-2.0	-113.40	355.02	5.54	-107.86
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510041	1	40	-2.0	-107.89	359.54	7.07	-100.82
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300000510042	1	39	-2.0	-103.44	349.53	6.34	-97.10
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000510043	0	31	-2.0	-101.02	304.29	5.84	-95.18
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=C1	REAL300000510044	0	34	-2.0	-112.85	323.87	8.14	-104.71
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1	REAL300000510045	0	34	-2.0	-113.17	313.12	7.39	-105.78
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1	REAL300000510046	0	30	-2.0	-102.25	304.08	4.56	-97.69
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000510047	0	33	-2.0	-100.03	332.09	6.93	-93.10
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000510048	1	32	-2.0	-94.42	328.74	6.27	-88.15
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510049	0	35	-2.0	-104.54	349.93	4.16	-100.38
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510050	1	31	-2.0	-101.35	305.24	6.38	-94.97
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2)=C1	REAL300000510051	0	31	-3.0	-170.04	310.26	3.35	-166.69
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(F)=C2)=C1	REAL300000510051	1	31	-3.0	-171.45	309.48	4.15	-167.30
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1	REAL300000510052	1	38	-2.0	-108.56	327.39	7.71	-100.85
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510053	0	33	-2.0	-105.89	335.97	4.48	-101.41
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510054	0	34	-2.0	-105.62	325.19	6.42	-99.20
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510054	1	33	-3.0	-161.90	322.71	6.43	-155.47
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000510055	1	35	-2.0	-105.70	342.23	4.61	-101.09
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)O1	REAL300000510056	0	34	-2.0	-98.63	333.49	4.80	-93.83
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1	REAL300000510057	0	30	-2.0	-94.24	306.70	5.82	-88.42
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510058	0	33	-2.0	-113.31	325.63	6.04	-107.27
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000510059	1	40	-2.0	-103.91	362.81	6.61	-97.30
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510060	0	33	-2.0	-95.24	328.24	6.88	-88.36
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510061	0	31	-2.0	-113.96	314.81	5.77	-108.19
COC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)SC=C1	REAL300000510062	0	29	-2.0	-111.61	293.37	3.78	-107.83
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510063	1	37	-2.0	-109.03	354.25	3.50	-105.53
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300000510064	0	34	-2.0	-103.67	327.08	6.27	-97.40
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000510065	0	31	-2.0	-106.34	301.84	5.47	-100.87
CC1=NC2=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000510066	0	36	-2.0	-122.68	333.60	6.32	-116.36
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC(Cl)=CC=C2S1	REAL300000510067	0	34	-2.0	-105.81	339.77	7.99	-97.82
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000510068	1	39	-2.0	-100.57	355.38	4.58	-95.99
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C(Br)S1	REAL300000510069	0	28	-2.0	-97.30	301.96	5.60	-91.70
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=C1	REAL300000510070	0	34	-2.0	-104.81	327.50	7.82	-96.99
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC(F)=C1F	REAL300000510071	1	34	-2.0	-92.91	337.71	5.82	-87.09
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)SC2=CC=CC(F)=C12	REAL300000510072	0	34	-2.0	-107.79	332.05	7.11	-100.68
N#CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510073	1	29	-2.0	-95.74	314.20	6.09	-89.65
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1F	REAL300000510074	0	33	-2.0	-102.13	326.12	6.45	-95.68
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510075	0	30	-2.0	-109.69	305.32	3.82	-105.87
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=NC2=C1Cl	REAL300000510077	0	33	-2.0	-94.87	333.07	5.05	-89.82
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)=C1	REAL300000510078	0	28	-2.0	-108.63	291.74	6.02	-102.61
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)=C1	REAL300000510079	1	30	-2.0	-97.23	320.36	4.99	-92.24
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510080	0	28	-2.0	-94.67	287.05	4.03	-90.64
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)N=C1Cl	REAL300000510081	0	28	-2.0	-109.76	292.43	3.90	-105.86
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510082	0	36	-2.0	-107.47	331.06	3.69	-103.78
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000510083	0	31	-2.0	-103.48	323.74	6.18	-97.30
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000510083	1	30	-3.0	-162.63	321.26	6.17	-156.46
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1	REAL300000510084	0	29	-2.0	-109.96	287.92	3.82	-106.14
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000510085	0	36	-2.0	-118.28	322.38	7.90	-110.38
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)S2)=CS1	REAL300000510086	0	34	-2.0	-103.83	351.52	5.64	-98.19
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510087	0	29	-2.0	-95.85	294.30	2.92	-92.93
CC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510088	0	27	-2.0	-100.66	280.61	2.90	-97.76
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000510089	1	34	-2.0	-97.58	339.39	6.12	-91.46
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510090	1	33	-2.0	-94.39	320.29	6.54	-87.85
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510091	0	34	-2.0	-93.83	310.06	5.87	-87.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510091	1	33	-3.0	-171.47	310.58	6.29	-165.18
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300000510093	1	35	-2.0	-122.67	336.69	2.94	-119.73
CC1=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000510094	0	34	-2.0	-102.84	327.87	6.29	-96.55
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000510094	1	33	-3.0	-171.26	325.39	6.29	-164.97
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510095	0	34	-2.0	-101.12	318.74	6.40	-94.72
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510095	1	33	-3.0	-158.79	315.95	6.42	-152.37
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510096	0	34	-2.0	-112.76	330.97	6.19	-106.57
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C2F)N=C1	REAL300000510097	1	38	-2.0	-99.74	355.68	6.94	-92.80
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000510098	0	29	-2.0	-101.41	301.38	5.76	-95.65
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C(C)N1	REAL300000510099	0	41	-2.0	-104.28	368.06	5.77	-98.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000510100	0	31	-2.0	-103.68	304.29	5.84	-97.84
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000510101	0	34	-2.0	-94.28	327.62	5.83	-88.45
CC1=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000510102	0	37	-2.0	-103.35	340.51	6.84	-96.51
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000510102	1	36	-3.0	-177.71	338.04	6.84	-170.87
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1	REAL300000510103	0	34	-2.0	-114.37	329.82	7.90	-106.47
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000510104	0	34	-2.0	-102.68	337.19	2.63	-100.05
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000510105	0	32	-3.0	-170.30	327.10	6.74	-163.56
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000510105	1	33	-2.0	-116.42	329.59	6.73	-109.69
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1	REAL300000510106	0	31	-2.0	-101.39	317.43	6.57	-94.82
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1CC	REAL300000510107	1	40	-2.0	-106.27	349.14	7.65	-98.62
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000510108	0	30	-3.0	-160.39	312.30	5.77	-154.62
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1F	REAL300000510109	0	33	-2.0	-95.13	325.14	6.41	-88.72
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510110	0	34	-2.0	-109.59	334.04	6.98	-102.61
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1	REAL300000510111	0	27	-2.0	-102.30	291.04	4.53	-97.77
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510112	0	34	-2.0	-112.87	317.69	5.45	-107.42
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000510113	0	33	-2.0	-96.39	322.82	3.91	-92.48
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1	REAL300000510114	0	27	-2.0	-94.37	297.52	4.25	-90.12
CC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000510115	0	37	-2.0	-109.62	337.18	6.99	-102.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000510115	1	36	-3.0	-175.98	335.02	7.04	-168.94
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000510116	0	33	-3.0	-171.32	325.86	6.34	-164.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000510117	0	33	-3.0	-169.23	332.29	6.78	-162.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000510117	1	34	-2.0	-97.78	334.99	6.76	-91.02
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510118	0	33	-3.0	-180.64	325.58	6.33	-174.31
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1	REAL300000510119	0	28	-2.0	-92.70	299.32	5.56	-87.14
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510120	1	36	-2.0	-114.49	335.17	6.35	-108.14
COCCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000510121	0	35	-2.0	-100.29	331.84	2.70	-97.59
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300000510122	0	33	-2.0	-110.62	322.39	5.92	-104.70
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Br)=C1	REAL300000510123	0	28	-2.0	-100.60	294.97	5.85	-94.75
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1Br	REAL300000510124	0	31	-2.0	-106.43	306.77	6.34	-100.09
CCC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000510125	0	37	-2.0	-107.74	336.98	6.82	-100.92
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000510125	1	36	-3.0	-175.45	334.51	6.83	-168.62
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1	REAL300000510126	0	39	-2.0	-102.39	349.24	3.62	-98.77
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1C#N	REAL300000510129	0	32	-2.0	-113.76	309.34	5.86	-107.90
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)=C1	REAL300000510130	0	31	-2.0	-97.53	323.96	6.63	-90.90
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510131	0	34	-2.0	-96.08	323.81	5.55	-90.53
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510131	1	33	-3.0	-157.58	321.02	5.56	-152.02
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510132	0	37	-2.0	-104.23	345.07	6.73	-97.50
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510133	0	34	-2.0	-112.85	319.57	5.82	-107.03
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300000510134	0	36	-2.0	-100.33	330.12	2.82	-97.51
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)=C1	REAL300000510135	1	35	-2.0	-106.10	336.43	5.63	-100.47
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510136	0	36	-2.0	-103.65	345.51	7.14	-96.51
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1F	REAL300000510137	0	31	-2.0	-110.17	297.90	5.79	-104.38
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000510138	0	34	-2.0	-98.12	321.12	2.70	-95.42
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1	REAL300000510139	0	35	-2.0	-115.80	318.02	5.10	-110.70
COC1=CC=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1CC(=O)[O-]	REAL300000510140	0	38	-2.0	-104.72	353.47	5.78	-98.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1CC(=O)[O-]	REAL300000510140	1	37	-3.0	-178.77	351.02	5.77	-173.00
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510141	1	35	-2.0	-104.29	327.14	4.81	-99.48
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510142	0	33	-2.0	-106.97	311.35	2.06	-104.91
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000510143	0	31	-2.0	-107.07	303.94	6.21	-100.86
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C(C)O1	REAL300000510145	0	31	-2.0	-102.10	295.06	4.66	-97.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)=CC(F)=C1	REAL300000510146	0	34	-2.0	-110.36	318.33	2.75	-107.61
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=C1	REAL300000510147	1	36	-2.0	-104.69	325.79	5.71	-98.98
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300000510148	1	41	-2.0	-104.58	370.41	7.71	-96.87
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510149	0	37	-2.0	-100.80	355.13	6.73	-94.07
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510150	1	35	-2.0	-103.71	318.68	5.11	-98.60
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C(C(=O)OC)O1	REAL300000510151	0	37	-2.0	-98.35	349.08	5.49	-92.86
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510152	1	38	-2.0	-102.70	341.34	5.93	-96.77
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510153	0	31	-2.0	-104.80	304.30	5.44	-99.36
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1	REAL300000510154	1	31	-2.0	-101.55	298.13	3.74	-97.81
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000510155	0	36	-2.0	-119.92	325.89	6.89	-113.03
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1	REAL300000510156	0	34	-2.0	-113.21	321.37	7.08	-106.13
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)=C1	REAL300000510157	0	34	-2.0	-95.94	340.69	3.16	-92.78
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510158	0	34	-2.0	-108.85	323.71	6.54	-102.31
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1	REAL300000510159	0	30	-2.0	-91.98	304.82	5.78	-86.20
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510160	0	34	-2.0	-98.46	329.08	6.79	-91.67
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510160	1	33	-3.0	-163.85	326.80	6.82	-157.03
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1	REAL300000510161	0	28	-2.0	-96.09	295.22	5.67	-90.42
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C(C)O1	REAL300000510162	0	34	-2.0	-98.48	329.92	4.64	-93.84
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1	REAL300000510163	0	27	-2.0	-96.08	283.83	3.77	-92.31
CC1=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1Cl	REAL300000510164	0	34	-2.0	-99.83	334.25	6.59	-93.24
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(=O)[O-])=C1Cl	REAL300000510164	1	33	-3.0	-170.47	331.78	6.60	-163.87
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)N=C1C	REAL300000510165	0	34	-2.0	-115.10	317.79	4.87	-110.23
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510166	0	31	-2.0	-105.74	309.98	6.44	-99.30
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510167	0	31	-2.0	-106.40	306.62	6.30	-100.10
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000510168	0	34	-3.0	-172.25	328.56	5.85	-166.40
CCN1C=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000510168	1	35	-2.0	-102.24	331.04	5.85	-96.39
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510169	0	31	-2.0	-102.64	311.96	3.83	-98.81
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510170	0	40	-2.0	-105.05	348.22	5.66	-99.39
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CN1C	REAL300000510171	0	38	-2.0	-107.09	355.11	6.11	-100.98
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510172	0	36	-2.0	-99.96	334.11	7.14	-92.82
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1	REAL300000510173	0	28	-2.0	-109.15	288.15	5.88	-103.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(Cl)=N1	REAL300000510174	0	30	-2.0	-104.10	301.97	4.39	-99.71
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510175	0	33	-2.0	-103.38	321.13	5.27	-98.11
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)=C1	REAL300000510176	0	35	-2.0	-105.41	337.14	6.27	-99.14
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000510177	1	32	-2.0	-101.05	327.28	6.56	-94.49
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510178	0	30	-2.0	-100.24	302.09	3.65	-96.59
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C12	REAL300000510179	0	35	-2.0	-94.93	333.31	2.81	-92.12
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510180	0	30	-2.0	-99.10	311.38	5.46	-93.64
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CN=C1Cl	REAL300000510182	0	31	-2.0	-94.53	312.93	3.03	-91.50
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000510183	1	37	-2.0	-101.63	348.01	6.04	-95.59
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)=C1	REAL300000510184	1	40	-2.0	-103.30	356.45	6.52	-96.78
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000510185	0	30	-2.0	-94.35	307.58	4.40	-89.95
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510186	0	34	-2.0	-101.25	333.27	5.80	-95.45
CC1=CC(C)=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1CC(=O)[O-]	REAL300000510187	0	43	-2.0	-122.84	366.19	8.08	-114.76
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1CC(=O)[O-]	REAL300000510187	1	42	-3.0	-178.55	365.69	8.52	-170.03
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=C1	REAL300000510188	0	31	-2.0	-102.98	318.67	2.18	-100.80
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510189	0	43	-2.0	-103.51	371.35	6.56	-96.95
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1F	REAL300000510190	1	35	-2.0	-100.95	322.17	5.19	-95.76
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(Cl)=C1	REAL300000510191	0	29	-2.0	-98.19	305.97	6.04	-92.15
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1	REAL300000510192	0	31	-2.0	-113.39	300.01	5.40	-107.99
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510193	0	33	-2.0	-100.93	322.03	3.94	-96.99
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510194	0	39	-2.0	-113.97	362.22	5.18	-108.79
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1	REAL300000510195	0	25	-2.0	-98.22	276.46	3.81	-94.41
CC1=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C(C2=CC=CC=C2)S1	REAL300000510196	0	37	-2.0	-112.46	352.78	6.66	-105.80
CC1=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300000510197	0	37	-2.0	-115.34	348.12	4.05	-111.29
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000510198	1	36	-2.0	-101.97	331.78	7.03	-94.94
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510199	0	38	-2.0	-111.88	335.67	6.84	-105.04
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1	REAL300000510200	0	28	-2.0	-101.25	293.16	5.48	-95.77
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510204	1	40	-2.0	-106.97	364.16	7.44	-99.53
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1	REAL300000510205	0	28	-2.0	-97.69	307.26	6.19	-91.50
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510206	0	28	-2.0	-97.95	301.06	5.30	-92.65
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(OC)=C1	REAL300000510207	0	38	-2.0	-105.93	355.07	5.53	-100.40
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1	REAL300000510208	1	31	-2.0	-110.25	306.25	6.01	-104.24
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1	REAL300000510209	0	31	-2.0	-99.95	316.32	6.14	-93.81
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510210	1	31	-2.0	-101.60	314.80	6.36	-95.24
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1	REAL300000510211	0	31	-2.0	-100.48	311.16	3.93	-96.55
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510212	0	32	-2.0	-111.37	308.16	6.13	-105.24
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300000510213	0	31	-2.0	-104.09	318.69	2.18	-101.91
COC(=O)C(CS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000510214	1	40	-2.0	-109.22	362.48	7.86	-101.36
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300000510215	0	36	-2.0	-99.41	341.54	6.36	-93.05
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510216	1	37	-2.0	-107.42	326.09	7.07	-100.35
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=CS1	REAL300000510217	0	34	-2.0	-114.62	327.28	6.25	-108.37
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000510218	1	32	-2.0	-97.67	307.79	4.46	-93.21
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1	REAL300000510219	0	27	-2.0	-111.52	284.77	5.48	-106.04
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510220	0	36	-2.0	-110.97	345.49	7.14	-103.83
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510221	0	27	-2.0	-92.00	265.50	1.54	-90.46
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CN=C21	REAL300000510222	0	33	-2.0	-99.72	316.44	4.21	-95.51
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300000510223	0	27	-2.0	-95.86	293.25	4.84	-91.02
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510225	1	36	-2.0	-105.59	339.25	3.30	-102.29
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)=C1	REAL300000510226	1	31	-2.0	-95.54	327.55	6.60	-88.94
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000510227	0	34	-2.0	-93.50	335.56	5.91	-87.59
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300000510228	0	32	-2.0	-106.25	300.07	4.51	-101.74
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510229	0	29	-2.0	-101.22	306.00	6.04	-95.18
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000510230	0	31	-2.0	-102.77	316.04	4.14	-98.63
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510231	1	34	-2.0	-103.45	302.29	6.79	-96.66
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510232	0	36	-2.0	-118.18	326.05	5.59	-112.59
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510234	0	31	-2.0	-109.18	291.68	6.05	-103.13
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510235	1	31	-2.0	-98.33	308.86	6.47	-91.86
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)=C1	REAL300000510236	0	32	-2.0	-118.13	310.46	5.15	-112.98
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510237	0	41	-2.0	-103.41	363.18	6.58	-96.83
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)=C1	REAL300000510238	0	28	-2.0	-101.42	298.88	5.77	-95.65
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C12	REAL300000510239	0	36	-2.0	-120.84	329.95	6.27	-114.57
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510241	0	32	-2.0	-107.76	323.33	2.37	-105.39
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1	REAL300000510242	0	29	-2.0	-111.72	296.85	3.38	-108.34
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510243	0	31	-2.0	-101.31	296.65	2.55	-98.76
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)=C1	REAL300000510244	0	28	-2.0	-106.06	298.17	5.74	-100.32
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OC	REAL300000510245	0	38	-2.0	-100.86	354.15	5.79	-95.07
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)OCO2	REAL300000510247	1	34	-2.0	-101.18	313.57	4.52	-96.66
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510249	0	34	-2.0	-105.05	322.28	6.28	-98.77
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000510250	0	34	-2.0	-103.46	336.75	6.71	-96.75
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000510250	1	33	-3.0	-167.67	334.28	6.71	-160.96
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510251	1	38	-2.0	-105.42	341.95	4.87	-100.55
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510252	0	37	-2.0	-118.93	340.95	7.36	-111.57
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510253	0	36	-2.0	-103.81	329.95	3.43	-100.38
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=C1	REAL300000510254	0	34	-2.0	-112.18	333.30	6.63	-105.55
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510256	0	31	-2.0	-108.01	317.03	2.57	-105.44
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510256	1	30	-3.0	-165.46	313.76	1.44	-164.02
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000510257	1	35	-2.0	-105.15	333.26	4.10	-101.05
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1OC	REAL300000510258	0	36	-2.0	-102.75	343.89	4.85	-97.90
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300000510259	1	32	-2.0	-100.33	317.55	4.73	-95.60
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=C1	REAL300000510260	1	31	-2.0	-94.30	316.40	6.14	-88.16
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000510261	0	33	-2.0	-107.41	328.87	0.68	-106.73
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510262	1	32	-2.0	-111.49	304.93	6.34	-105.15
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510263	1	32	-2.0	-109.26	314.33	6.25	-103.01
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1	REAL300000510264	0	28	-2.0	-99.07	301.94	6.16	-92.91
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510265	1	34	-2.0	-97.98	308.60	6.83	-91.15
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(N)=NO1	REAL300000510266	0	29	-2.0	-94.98	278.51	2.49	-92.49
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)OCC(=O)N2	REAL300000510267	0	38	-2.0	-107.90	351.04	2.11	-105.79
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=C1	REAL300000510268	0	28	-2.0	-97.52	302.08	6.46	-91.06
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510269	0	32	-2.0	-107.48	317.07	5.38	-102.10
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1	REAL300000510270	0	29	-2.0	-100.04	299.58	3.85	-96.19
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=NO1	REAL300000510272	1	39	-2.0	-104.59	353.33	5.88	-98.71
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510273	1	35	-2.0	-106.36	317.04	5.14	-101.22
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Br	REAL300000510274	1	29	-2.0	-94.72	312.58	5.98	-88.74
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000510275	1	35	-2.0	-101.14	332.65	5.73	-95.41
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)=C1	REAL300000510276	0	30	-2.0	-95.94	321.98	6.32	-89.62
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510277	0	26	-2.0	-95.64	284.59	4.63	-91.01
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)=C1	REAL300000510278	0	30	-2.0	-92.44	318.24	6.18	-86.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000510279	0	30	-2.0	-101.84	288.68	3.91	-97.93
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1	REAL300000510280	0	33	-2.0	-104.52	313.28	5.44	-99.08
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000510281	0	34	-2.0	-103.47	332.33	5.81	-97.66
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000510282	0	34	-2.0	-98.93	331.39	5.77	-93.16
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510283	0	36	-2.0	-113.61	348.22	6.92	-106.69
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C#N	REAL300000510284	1	32	-2.0	-97.31	312.06	5.97	-91.34
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1	REAL300000510285	0	27	-2.0	-90.93	289.82	3.76	-87.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000510286	0	32	-2.0	-106.44	307.06	4.44	-102.00
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1[N+](=O)[O-]	REAL300000510287	0	36	-2.0	-116.31	332.88	8.26	-108.05
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300000510288	1	34	-2.0	-104.38	333.07	6.87	-97.51
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1	REAL300000510289	1	34	-2.0	-103.56	317.76	5.60	-97.96
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)=C1	REAL300000510290	0	32	-2.0	-109.82	319.83	5.95	-103.87
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1	REAL300000510291	1	31	-2.0	-102.89	306.25	6.01	-96.88
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000510292	1	38	-2.0	-109.15	346.29	8.50	-100.65
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)N(C)N=C1	REAL300000510294	0	31	-2.0	-97.81	288.97	3.56	-94.25
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510295	0	37	-2.0	-108.62	354.21	6.72	-101.90
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CN1C	REAL300000510296	0	40	-2.0	-104.78	374.09	6.30	-98.48
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)O1	REAL300000510298	0	26	-2.0	-96.43	276.01	3.62	-92.81
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C(F)C=C1C	REAL300000510299	0	40	-2.0	-103.86	370.22	7.27	-96.59
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CSC=C2)=C1	REAL300000510300	0	25	-2.0	-100.99	263.19	3.99	-97.00
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510301	1	42	-2.0	-114.72	383.62	3.28	-111.44
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510302	0	39	-2.0	-112.75	355.41	4.58	-108.17
CC1=CC(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000510303	0	34	-2.0	-98.92	319.04	6.18	-92.74
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000510303	1	33	-3.0	-158.87	316.55	6.18	-152.69
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000510304	0	31	-2.0	-98.20	299.25	1.76	-96.44
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1	REAL300000510305	0	28	-2.0	-103.92	294.31	5.66	-98.26
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510307	0	39	-2.0	-103.40	350.21	6.21	-97.19
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510308	0	37	-2.0	-106.63	349.61	7.86	-98.77
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510309	0	37	-2.0	-106.20	345.43	7.57	-98.63
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)=C1	REAL300000510310	0	31	-2.0	-103.00	314.68	6.98	-96.02
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C1	REAL300000510311	0	31	-2.0	-106.39	308.65	6.44	-99.95
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510312	1	40	-2.0	-110.27	370.90	7.45	-102.82
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510313	0	34	-2.0	-117.97	332.77	7.12	-110.85
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)N(C)N=C1	REAL300000510314	0	37	-2.0	-104.78	343.18	5.08	-99.70
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510315	0	41	-2.0	-113.02	376.88	6.45	-106.57
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000510316	1	40	-2.0	-102.38	364.79	7.19	-95.19
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=C2O1	REAL300000510317	0	39	-2.0	-116.65	349.81	6.30	-110.35
N#CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000510318	1	32	-2.0	-94.06	328.74	6.27	-87.79
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1	REAL300000510319	0	31	-2.0	-109.00	298.69	3.71	-105.29
N#CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510320	0	29	-2.0	-109.31	309.86	5.85	-103.46
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510321	1	34	-2.0	-96.91	326.63	6.86	-90.05
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510322	1	35	-2.0	-106.72	323.43	5.31	-101.41
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1	REAL300000510323	0	28	-2.0	-105.52	294.42	5.94	-99.58
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510324	0	34	-2.0	-128.40	316.48	2.66	-125.74
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C2C=C1	REAL300000510325	1	37	-2.0	-107.18	339.37	8.01	-99.17
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1	REAL300000510326	0	25	-2.0	-102.78	280.06	4.53	-98.25
CC1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510327	0	28	-2.0	-103.02	285.65	4.74	-98.28
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510328	1	41	-2.0	-108.94	368.06	5.44	-103.50
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1	REAL300000510329	0	25	-2.0	-100.62	270.37	1.89	-98.73
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=C1	REAL300000510330	0	33	-2.0	-112.31	326.60	6.14	-106.17
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1	REAL300000510331	0	27	-2.0	-99.45	278.98	3.20	-96.25
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510332	0	35	-2.0	-100.53	340.31	5.38	-95.15
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510333	0	37	-2.0	-99.05	336.61	4.14	-94.91
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000510334	0	37	-2.0	-98.65	341.25	3.63	-95.02
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000510335	0	35	-3.0	-170.60	343.81	7.83	-162.77
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C1	REAL300000510337	1	36	-2.0	-102.70	332.61	6.05	-96.65
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1	REAL300000510338	0	31	-2.0	-100.65	308.26	5.54	-95.11
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1	REAL300000510339	0	31	-2.0	-106.66	323.38	7.14	-99.52
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510340	0	33	-2.0	-114.25	313.17	4.68	-109.57
CC1=NSC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510341	0	27	-2.0	-97.22	280.57	3.38	-93.84
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])=C1	REAL300000510342	0	30	-2.0	-101.38	315.75	7.07	-94.31
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=C1	REAL300000510344	0	32	-2.0	-101.06	320.58	3.77	-97.29
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1	REAL300000510344	1	32	-2.0	-91.18	319.73	4.60	-86.58
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=C1	REAL300000510345	0	34	-2.0	-99.60	328.00	6.48	-93.12
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)=C1	REAL300000510346	0	30	-2.0	-96.21	320.87	4.87	-91.34
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1	REAL300000510347	0	32	-2.0	-129.07	303.26	2.33	-126.74
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1	REAL300000510348	1	35	-2.0	-104.32	321.30	7.19	-97.13
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000510349	0	25	-2.0	-104.75	270.36	4.12	-100.63
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000510350	1	37	-2.0	-100.99	343.58	4.83	-96.16
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1	REAL300000510351	0	34	-2.0	-117.28	332.90	3.51	-113.77
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000510352	0	31	-2.0	-104.51	310.71	3.93	-100.58
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000510353	1	37	-2.0	-103.81	336.92	6.68	-97.13
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000510354	0	29	-2.0	-94.76	298.79	5.52	-89.24
COC(CS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000510355	1	38	-2.0	-104.30	347.87	5.78	-98.52
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000510357	0	33	-2.0	-96.68	321.78	6.32	-90.36
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510358	0	34	-2.0	-104.99	323.29	6.43	-98.56
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510358	1	33	-3.0	-168.65	320.50	6.46	-162.19
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1	REAL300000510359	0	29	-2.0	-103.05	304.97	4.37	-98.68
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000510360	0	32	-3.0	-184.38	324.29	7.49	-176.89
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)=C1	REAL300000510362	0	32	-2.0	-104.52	323.38	4.95	-99.57
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2N=C1Cl	REAL300000510363	1	36	-2.0	-100.69	348.56	6.47	-94.22
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510364	0	28	-2.0	-127.62	277.43	1.01	-126.61
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C(F)C=C1C	REAL300000510365	0	37	-2.0	-103.68	348.37	6.34	-97.34
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1	REAL300000510366	0	28	-2.0	-95.77	304.65	5.27	-90.50
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1	REAL300000510367	0	33	-2.0	-109.30	309.07	1.99	-107.31
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510368	0	31	-2.0	-106.63	304.70	5.52	-101.11
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CN=C1C	REAL300000510369	0	36	-2.0	-96.90	338.34	4.42	-92.48
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1	REAL300000510370	0	29	-2.0	-94.05	295.46	3.94	-90.11
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510371	0	30	-2.0	-95.51	299.63	4.45	-91.06
CC1=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C(Br)N1C	REAL300000510372	0	31	-2.0	-111.88	312.69	4.53	-107.35
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000510373	1	34	-2.0	-97.46	326.51	6.60	-90.86
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510374	1	37	-2.0	-110.41	349.03	6.52	-103.89
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1	REAL300000510375	1	30	-2.0	-95.05	311.85	4.95	-90.10
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=NN1C	REAL300000510379	0	31	-2.0	-102.28	292.75	3.31	-98.97
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510380	1	32	-2.0	-104.96	303.16	6.17	-98.79
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510381	1	41	-2.0	-116.00	366.03	5.94	-110.06
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510382	0	31	-2.0	-102.76	295.45	3.44	-99.32
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510383	1	35	-2.0	-101.86	343.89	5.31	-96.55
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510384	0	28	-2.0	-95.55	287.94	3.68	-91.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)OC(C)C	REAL300000510385	1	43	-2.0	-102.95	385.03	7.91	-95.04
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=C1	REAL300000510387	1	33	-2.0	-102.18	318.51	2.27	-99.91
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1	REAL300000510388	0	28	-2.0	-101.76	287.75	2.61	-99.15
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1	REAL300000510389	0	34	-2.0	-98.81	318.38	5.00	-93.81
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510390	1	41	-2.0	-101.99	381.94	5.45	-96.54
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C12	REAL300000510391	0	42	-2.0	-109.19	366.55	7.24	-101.95
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)=C1	REAL300000510393	1	30	-2.0	-101.75	320.26	5.00	-96.75
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000510394	0	36	-2.0	-107.05	345.83	4.74	-102.31
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1	REAL300000510395	0	36	-2.0	-95.23	343.23	3.65	-91.58
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000510396	1	35	-2.0	-109.95	328.06	4.83	-105.12
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=C1	REAL300000510397	0	31	-2.0	-100.57	309.29	2.65	-97.92
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510398	1	41	-2.0	-107.08	366.52	6.07	-101.01
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000510399	1	32	-2.0	-98.30	317.60	4.94	-93.36
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510400	0	32	-2.0	-112.49	323.67	1.72	-110.77
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000510401	0	30	-3.0	-179.89	304.20	5.68	-174.21
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1	REAL300000510402	0	25	-2.0	-107.85	271.44	3.08	-104.77
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1	REAL300000510403	0	30	-2.0	-115.42	303.28	4.50	-110.92
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1	REAL300000510404	1	33	-2.0	-107.01	307.88	4.93	-102.08
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1	REAL300000510406	0	34	-2.0	-112.55	322.60	7.39	-105.16
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300000510407	0	31	-2.0	-108.51	312.25	4.15	-104.36
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510408	0	34	-2.0	-111.73	340.46	6.59	-105.14
CCC1=CC(CC)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(CC)=C1	REAL300000510409	1	46	-2.0	-106.69	379.72	9.73	-96.96
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510410	0	31	-2.0	-106.08	299.20	6.58	-99.50
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1	REAL300000510411	0	32	-2.0	-102.11	316.50	5.20	-96.91
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1	REAL300000510412	0	33	-2.0	-114.43	308.39	4.90	-109.53
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000510413	1	37	-2.0	-106.47	354.49	6.57	-99.90
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CC(C)=C2S1	REAL300000510414	0	37	-2.0	-107.40	343.15	8.08	-99.32
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)=C1	REAL300000510415	0	32	-2.0	-102.33	326.82	5.65	-96.68
CCC(CS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)OC	REAL300000510416	1	34	-2.0	-102.54	307.20	3.62	-98.92
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510417	1	41	-2.0	-104.59	360.76	6.52	-98.07
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510418	1	40	-2.0	-105.97	342.56	5.35	-100.62
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000510421	0	31	-2.0	-110.93	301.99	6.04	-104.89
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1	REAL300000510422	0	27	-2.0	-97.15	297.12	4.27	-92.88
CN1N=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1Br	REAL300000510423	0	28	-2.0	-98.92	295.64	3.23	-95.69
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000510424	1	33	-2.0	-103.95	315.93	3.53	-100.42
CS(=O)(=NS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000510425	0	35	-2.0	-125.08	334.26	3.79	-121.29
CC1=C(F)C=C(S(=O)(=O)NC2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000510426	0	34	-2.0	-102.71	327.94	6.32	-96.39
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000510426	1	33	-3.0	-165.56	325.48	6.32	-159.24
COC(CS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)C1CC1	REAL300000510427	1	35	-2.0	-103.44	314.89	4.47	-98.97
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510428	0	32	-2.0	-107.55	306.75	4.92	-102.63
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=C1	REAL300000510429	1	31	-2.0	-95.00	311.67	4.18	-90.82
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000510430	1	36	-2.0	-102.73	334.50	6.93	-95.80
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510431	0	44	-2.0	-113.04	376.49	7.19	-105.85
COC(CS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)C1CCOCC1	REAL300000510432	1	42	-2.0	-103.65	354.81	3.53	-100.12
COC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000510433	0	31	-2.0	-95.19	315.33	2.31	-92.88
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510434	0	27	-2.0	-95.22	269.03	3.03	-92.19
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000510435	0	32	-2.0	-99.05	321.83	3.23	-95.82
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000510436	1	31	-2.0	-99.25	307.54	6.19	-93.06
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1	REAL300000510437	1	34	-2.0	-113.25	320.20	6.07	-107.18
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300000510438	1	37	-2.0	-103.19	358.32	6.55	-96.64
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510439	0	37	-2.0	-109.64	352.63	6.43	-103.21
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C([N+](=O)[O-])S1	REAL300000510440	0	30	-2.0	-111.31	306.66	6.28	-105.03
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510441	0	33	-2.0	-118.34	313.60	1.02	-117.32
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)=C1	REAL300000510442	0	30	-2.0	-95.44	310.57	5.09	-90.35
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1	REAL300000510443	1	31	-2.0	-99.27	314.10	3.26	-96.01
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000510444	0	27	-2.0	-107.01	272.59	3.26	-103.75
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1	REAL300000510447	0	27	-2.0	-94.96	273.49	3.23	-91.73
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=C1	REAL300000510449	0	30	-2.0	-102.47	322.67	5.07	-97.40
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=CS1	REAL300000510450	0	26	-2.0	-108.11	282.48	4.47	-103.64
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510451	0	35	-2.0	-108.88	339.85	6.82	-102.06
COC(CS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)C(C)C	REAL300000510453	1	37	-2.0	-102.89	323.00	4.37	-98.52
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1	REAL300000510454	1	28	-2.0	-95.83	294.67	5.65	-90.18
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1	REAL300000510455	0	37	-2.0	-109.34	333.78	5.42	-103.92
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=C1	REAL300000510456	1	35	-2.0	-109.06	337.20	2.94	-106.12
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1	REAL300000510457	0	36	-2.0	-113.88	324.27	6.29	-107.59
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510458	0	38	-2.0	-104.45	344.98	3.98	-100.47
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000510459	0	37	-2.0	-102.96	354.19	6.74	-96.22
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)S2)C1	REAL300000510464	0	39	-2.0	-104.83	361.87	5.52	-99.31
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510465	1	43	-2.0	-109.63	381.95	7.43	-102.20
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510467	1	35	-2.0	-114.77	328.02	2.52	-112.25
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(=O)NC1=O	REAL300000510468	0	31	-2.0	-108.44	300.49	1.77	-106.67
CC(C)OC1(CS(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)CCOC1	REAL300000510469	1	42	-2.0	-104.90	347.95	4.12	-100.78
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)=C1	REAL300000510470	1	40	-2.0	-104.17	356.15	6.53	-97.64
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=C2)=N1	REAL300000510471	1	40	-2.0	-106.57	365.14	4.98	-101.59
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)N(C)N=C1	REAL300000510472	0	34	-2.0	-104.45	321.32	4.15	-100.30
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000510473	1	39	-2.0	-107.43	356.81	4.17	-103.26
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510474	0	33	-2.0	-91.65	327.83	6.91	-84.74
COC(CS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300000510475	1	38	-2.0	-102.01	353.26	6.24	-95.77
CCOC(CS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)C1CC1	REAL300000510476	1	38	-2.0	-103.91	335.54	5.44	-98.47
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)=C1	REAL300000510477	0	35	-2.0	-112.20	338.56	6.87	-105.33
CC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)N1C	REAL300000510478	0	31	-2.0	-101.83	291.23	4.13	-97.70
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1F	REAL300000510479	0	34	-2.0	-105.66	336.90	5.82	-99.84
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510480	1	41	-2.0	-107.26	362.11	6.74	-100.52
COC(CS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)C1CCCC1	REAL300000510481	1	41	-2.0	-107.33	345.65	5.91	-101.42
COC(CS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300000510482	1	44	-2.0	-101.44	361.96	5.94	-95.50
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=C1	REAL300000510483	0	41	-2.0	-102.25	375.49	7.36	-94.89
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000510484	0	33	-2.0	-109.84	317.29	7.17	-102.67
CCC1=NC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CN1CC1CC1	REAL300000510485	0	41	-2.0	-113.59	366.19	6.87	-106.72
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)O1	REAL300000510486	0	34	-2.0	-99.12	329.52	4.45	-94.67
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C2C1	REAL300000510487	1	39	-2.0	-110.29	355.51	5.56	-104.73
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300000510488	0	31	-2.0	-101.10	311.83	4.59	-96.51
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(C)C	REAL300000510489	1	47	-2.0	-103.71	403.54	8.13	-95.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1[N+](=O)[O-]	REAL300000510490	1	36	-2.0	-100.68	336.15	7.39	-93.29
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000510491	0	37	-2.0	-115.28	344.04	7.77	-107.51
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000510491	1	36	-3.0	-182.54	341.59	7.76	-174.78
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510492	0	31	-2.0	-91.47	313.69	3.71	-87.76
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1	REAL300000510493	0	27	-2.0	-100.06	289.43	3.69	-96.37
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000510494	1	38	-2.0	-115.80	338.18	8.48	-107.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(F)=C1F	REAL300000510496	0	31	-2.0	-107.28	304.16	5.86	-101.42
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)=C1	REAL300000510497	0	27	-2.0	-100.15	294.03	3.76	-96.39
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)OC=C1	REAL300000510498	0	31	-2.0	-112.14	308.34	4.10	-108.04
CCC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C(C)C=C1OC	REAL300000510499	1	41	-2.0	-104.30	358.32	6.65	-97.65
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000510500	0	30	-2.0	-115.93	299.15	4.06	-111.87
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=N1	REAL300000510501	0	40	-2.0	-102.44	360.00	5.85	-96.59
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510502	1	41	-2.0	-103.50	367.17	6.59	-96.91
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2)=C1	REAL300000510503	0	29	-3.0	-170.66	296.76	3.77	-166.89
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510504	0	32	-2.0	-105.56	304.73	5.13	-100.43
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(C)C	REAL300000510505	1	44	-2.0	-104.28	382.04	7.33	-96.95
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000510506	1	40	-2.0	-101.49	350.30	7.34	-94.15
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510507	0	29	-2.0	-95.87	299.32	5.54	-90.33
CS(=O)(=NS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)C1=CC=CC=C1F	REAL300000510508	0	35	-2.0	-124.03	337.06	3.78	-120.25
CN1N=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000510509	0	31	-2.0	-99.43	305.23	3.70	-95.73
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1	REAL300000510510	0	30	-2.0	-103.43	295.35	4.12	-99.31
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1	REAL300000510510	1	30	-2.0	-115.63	295.25	4.27	-111.36
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1	REAL300000510511	0	32	-2.0	-111.93	305.82	5.04	-106.89
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510512	0	38	-2.0	-100.98	332.04	5.24	-95.74
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300000510513	0	40	-2.0	-102.10	340.49	5.70	-96.40
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1	REAL300000510515	0	38	-2.0	-101.83	339.51	5.43	-96.40
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510516	0	31	-2.0	-95.56	305.39	4.03	-91.53
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(Br)=N1	REAL300000510517	0	28	-2.0	-102.86	297.28	3.28	-99.58
CS(=O)(=NS(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300000510520	0	41	-2.0	-126.59	359.72	4.48	-122.11
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1	REAL300000510521	0	29	-2.0	-101.81	288.27	2.83	-98.98
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300000510521	1	29	-2.0	-92.40	287.48	3.61	-88.79
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510522	1	38	-2.0	-104.09	349.28	7.86	-96.23
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510523	0	31	-2.0	-117.16	303.09	2.73	-114.43
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510524	0	34	-2.0	-102.61	314.93	4.24	-98.37
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000510525	0	33	-2.0	-103.96	317.87	5.57	-98.39
NC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000510526	0	28	-2.0	-97.42	277.29	2.43	-94.99
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C#N)=C1	REAL300000510527	0	32	-2.0	-111.62	311.58	6.01	-105.61
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510528	0	32	-2.0	-111.99	303.74	6.31	-105.68
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000510529	1	31	-2.0	-100.04	311.30	6.04	-94.00
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1CC	REAL300000510531	1	44	-2.0	-103.17	386.63	7.60	-95.57
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510532	1	35	-2.0	-108.07	335.82	7.04	-101.03
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510533	1	34	-2.0	-98.83	318.93	7.26	-91.57
COC1=NSC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510534	0	28	-2.0	-94.44	291.33	0.88	-93.56
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510535	0	42	-2.0	-119.25	372.37	4.73	-114.52
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)O1	REAL300000510536	1	41	-2.0	-107.10	344.13	5.30	-101.80
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000510537	0	24	-2.0	-96.89	258.82	2.78	-94.11
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510540	0	34	-3.0	-163.44	328.74	5.45	-157.99
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510540	1	35	-2.0	-93.70	329.24	4.97	-88.73
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C(C(N)=O)O1	REAL300000510541	0	32	-2.0	-102.14	311.59	0.69	-101.45
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510542	1	37	-2.0	-104.02	323.73	7.57	-96.45
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1	REAL300000510543	0	28	-2.0	-99.50	292.31	5.00	-94.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(F)=C2)=C(Cl)O1	REAL300000510545	0	27	-3.0	-158.07	300.69	4.62	-153.45
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1	REAL300000510546	0	33	-2.0	-113.80	308.33	5.58	-108.22
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510547	0	35	-2.0	-105.58	333.50	5.27	-100.31
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1F	REAL300000510548	0	29	-2.0	-107.49	297.90	5.50	-101.99
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)N=N1	REAL300000510549	0	27	-2.0	-105.99	270.88	1.40	-104.59
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510550	0	31	-2.0	-94.94	326.64	4.36	-90.58
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000510551	1	42	-2.0	-102.77	367.64	5.16	-97.61
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000510552	1	42	-2.0	-126.02	372.91	7.02	-119.00
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1	REAL300000510553	0	35	-2.0	-102.16	321.98	4.75	-97.41
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1	REAL300000510554	0	35	-2.0	-99.23	319.37	4.95	-94.28
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1	REAL300000510555	0	38	-2.0	-99.96	341.64	5.60	-94.36
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510556	0	41	-2.0	-114.60	376.87	6.46	-108.14
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300000510557	0	29	-2.0	-90.67	313.77	4.65	-86.02
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300000510557	1	28	-3.0	-182.41	311.05	4.68	-177.73
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)=C1	REAL300000510558	0	33	-2.0	-107.73	324.08	4.05	-103.68
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)=C1	REAL300000510558	1	32	-3.0	-191.60	320.52	5.04	-186.56
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=NN2C1	REAL300000510559	0	39	-2.0	-109.28	347.13	3.09	-106.19
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300000510560	0	34	-2.0	-103.43	338.92	5.98	-97.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=CC(F)=C1	REAL300000510561	1	34	-2.0	-102.35	322.80	2.32	-100.03
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1	REAL300000510562	0	25	-2.0	-102.26	276.18	3.67	-98.59
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000510563	1	32	-2.0	-94.47	317.95	4.63	-89.84
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1	REAL300000510564	0	35	-2.0	-105.71	316.46	5.09	-100.62
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000510565	0	32	-2.0	-101.83	313.28	4.52	-97.31
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000510566	1	44	-2.0	-106.28	375.63	7.13	-99.15
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510567	0	38	-2.0	-109.56	346.53	6.47	-103.09
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510568	0	31	-2.0	-100.95	295.67	5.80	-95.15
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=C2O1	REAL300000510569	0	36	-2.0	-115.57	329.39	5.66	-109.91
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510570	0	36	-2.0	-101.25	340.75	4.74	-96.51
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300000510571	1	36	-2.0	-107.38	340.32	7.29	-100.09
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510572	0	32	-2.0	-106.42	312.07	5.69	-100.73
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=C1	REAL300000510573	0	34	-2.0	-110.29	325.79	5.70	-104.59
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000510574	1	42	-2.0	-103.75	369.22	6.56	-97.19
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1	REAL300000510575	0	25	-2.0	-102.22	277.56	4.51	-97.71
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510576	0	28	-2.0	-93.08	294.03	3.21	-89.87
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1	REAL300000510577	0	30	-2.0	-95.03	305.98	4.24	-90.79
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510578	0	33	-2.0	-118.33	312.76	4.69	-113.64
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510579	0	30	-2.0	-92.57	287.31	2.41	-90.16
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1	REAL300000510581	1	29	-2.0	-93.96	286.96	3.86	-90.10
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1	REAL300000510582	0	31	-2.0	-106.19	310.93	6.50	-99.69
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1	REAL300000510583	0	31	-2.0	-117.89	316.99	4.78	-113.11
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510584	0	35	-2.0	-98.25	324.02	4.80	-93.45
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=C1F	REAL300000510585	1	37	-2.0	-102.05	327.83	7.43	-94.62
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1OC	REAL300000510586	0	36	-2.0	-108.27	327.84	5.00	-103.27
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000510587	1	37	-2.0	-111.50	340.41	2.30	-109.20
N#CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300000510588	1	29	-2.0	-95.19	312.60	5.98	-89.21
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1	REAL300000510589	0	31	-2.0	-106.75	301.85	5.36	-101.39
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1OC	REAL300000510590	0	36	-2.0	-112.65	331.55	5.41	-107.24
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000510591	0	41	-2.0	-106.38	360.86	5.99	-100.39
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CC=C2S1	REAL300000510592	0	32	-2.0	-108.64	322.93	7.02	-101.62
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000510593	0	35	-2.0	-105.17	327.38	5.00	-100.17
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1	REAL300000510594	1	32	-2.0	-104.00	311.34	4.66	-99.34
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1	REAL300000510595	0	31	-2.0	-111.86	301.52	4.29	-107.57
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000510596	0	33	-2.0	-122.42	316.62	3.48	-118.94
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=C21	REAL300000510597	0	35	-2.0	-105.59	313.02	7.00	-98.59
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CN=C1N	REAL300000510598	1	32	-2.0	-103.93	300.11	2.79	-101.14
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510599	0	28	-2.0	-102.02	289.40	0.94	-101.08
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1	REAL300000510601	0	31	-2.0	-102.65	305.80	5.46	-97.19
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000510602	0	38	-2.0	-105.73	343.60	5.49	-100.24
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510603	1	46	-2.0	-108.59	386.31	8.99	-99.60
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1	REAL300000510604	0	25	-2.0	-101.54	277.91	4.62	-96.92
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1	REAL300000510605	0	38	-2.0	-102.70	346.05	5.72	-96.98
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1	REAL300000510606	0	32	-2.0	-108.02	308.82	6.28	-101.74
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)=C1	REAL300000510607	0	39	-2.0	-110.40	370.60	7.89	-102.51
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510608	1	41	-2.0	-114.98	361.88	3.49	-111.49
COC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000510609	0	37	-2.0	-129.36	337.51	6.29	-123.07
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510610	1	37	-2.0	-105.90	336.47	7.29	-98.61
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510611	0	34	-2.0	-96.48	328.35	3.43	-93.05
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510612	0	29	-2.0	-107.18	296.59	5.42	-101.76
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510613	0	35	-2.0	-101.85	316.75	4.66	-97.19
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000510614	0	32	-2.0	-91.48	328.52	6.43	-85.05
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510616	1	34	-2.0	-104.07	301.74	6.71	-97.36
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510617	0	37	-2.0	-97.06	319.11	4.98	-92.08
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000510618	0	37	-2.0	-102.81	336.59	4.79	-98.02
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1	REAL300000510619	0	35	-2.0	-102.83	320.66	4.17	-98.66
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300000510620	0	33	-2.0	-94.78	323.02	4.90	-89.88
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000510621	0	39	-2.0	-101.75	346.35	5.89	-95.86
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=C1	REAL300000510622	0	30	-2.0	-89.10	311.12	5.83	-83.27
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=C1	REAL300000510623	0	31	-2.0	-95.26	317.23	6.15	-89.11
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1	REAL300000510624	1	31	-2.0	-103.83	300.06	5.90	-97.93
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1	REAL300000510625	0	28	-2.0	-103.40	293.64	5.46	-97.94
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1	REAL300000510626	0	28	-2.0	-96.36	303.82	5.19	-91.17
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510627	0	31	-2.0	-97.61	294.26	3.31	-94.30
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)=C1	REAL300000510629	1	31	-2.0	-94.45	323.98	6.50	-87.95
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1C	REAL300000510630	1	34	-2.0	-105.46	304.57	6.38	-99.08
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1	REAL300000510631	0	31	-2.0	-113.84	293.06	6.37	-107.47
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510632	1	39	-2.0	-114.03	356.66	7.12	-106.91
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000510634	1	38	-2.0	-107.84	352.32	6.77	-101.07
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)=C1	REAL300000510635	1	34	-2.0	-99.60	334.49	6.12	-93.48
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510636	0	33	-2.0	-101.60	330.86	5.56	-96.04
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510637	1	37	-2.0	-104.96	350.50	6.74	-98.22
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000510638	0	29	-2.0	-104.65	304.70	5.93	-98.72
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)=C1	REAL300000510639	0	37	-2.0	-111.71	346.23	5.04	-106.67
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1	REAL300000510640	0	28	-2.0	-104.60	292.09	5.31	-99.29
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1	REAL300000510641	1	35	-2.0	-105.99	321.29	7.19	-98.80
COC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=CS1	REAL300000510642	0	29	-2.0	-107.97	294.32	3.54	-104.43
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=C1	REAL300000510643	0	31	-2.0	-102.81	304.35	6.53	-96.28
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510644	0	34	-2.0	-99.54	338.26	5.42	-94.12
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1	REAL300000510645	0	35	-2.0	-107.60	326.80	7.24	-100.36
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1	REAL300000510646	0	38	-2.0	-99.72	336.90	5.68	-94.04
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510647	0	37	-2.0	-99.65	333.22	4.91	-94.74
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510648	1	37	-2.0	-110.24	343.29	2.60	-107.64
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510650	0	31	-2.0	-111.02	326.02	1.58	-109.44
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C2=N1	REAL300000510651	0	33	-2.0	-114.37	315.68	3.44	-110.93
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)O1	REAL300000510652	0	31	-2.0	-103.66	298.16	4.68	-98.98
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1	REAL300000510653	0	28	-2.0	-96.94	295.94	4.30	-92.64
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510654	0	32	-2.0	-100.35	313.03	5.00	-95.35
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C2CCOCC2)=N1	REAL300000510655	0	42	-2.0	-104.37	370.40	4.22	-100.15
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510656	1	34	-2.0	-104.59	325.29	6.61	-97.98
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300000510657	1	32	-2.0	-103.98	311.33	4.66	-99.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510659	0	29	-2.0	-101.11	295.86	3.53	-97.58
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000510660	0	39	-2.0	-121.61	343.53	7.37	-114.24
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300000510662	0	31	-2.0	-99.68	304.75	3.77	-95.91
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510663	1	38	-2.0	-106.56	349.00	5.77	-100.79
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000510664	0	31	-2.0	-100.24	323.75	4.54	-95.70
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510665	0	38	-2.0	-100.03	351.77	6.28	-93.75
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1	REAL300000510666	0	41	-2.0	-101.76	358.47	6.02	-95.74
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300000510667	1	39	-2.0	-101.77	360.75	7.94	-93.83
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1	REAL300000510668	0	31	-2.0	-107.92	293.72	5.99	-101.93
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510669	1	40	-2.0	-110.29	358.85	7.68	-102.61
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1	REAL300000510670	0	31	-2.0	-107.18	297.57	5.48	-101.70
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1	REAL300000510671	1	30	-2.0	-105.82	303.03	4.48	-101.34
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000510672	0	30	-2.0	-101.65	292.79	1.94	-99.71
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000510673	0	31	-2.0	-99.66	313.77	4.00	-95.66
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=C1	REAL300000510674	0	30	-2.0	-98.80	313.09	4.35	-94.45
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)=C1	REAL300000510675	0	33	-2.0	-116.13	328.54	6.26	-109.87
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1	REAL300000510676	0	25	-2.0	-97.89	271.83	3.69	-94.20
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=C1	REAL300000510677	0	33	-2.0	-113.76	325.28	6.05	-107.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000510678	1	37	-2.0	-113.80	330.86	7.92	-105.88
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=C1	REAL300000510679	1	35	-2.0	-104.37	330.00	5.45	-98.92
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000510680	1	42	-2.0	-101.08	376.66	6.59	-94.49
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1	REAL300000510681	0	28	-2.0	-99.52	299.60	5.69	-93.83
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)O1	REAL300000510682	0	34	-2.0	-114.63	335.74	1.37	-113.26
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300000510683	0	38	-2.0	-107.99	349.50	6.50	-101.49
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1	REAL300000510685	0	32	-2.0	-104.27	315.89	6.40	-97.87
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000510686	0	31	-2.0	-95.14	317.54	5.89	-89.25
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=C1	REAL300000510688	0	24	-2.0	-93.96	276.01	3.50	-90.46
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000510689	1	38	-2.0	-104.25	358.74	6.98	-97.27
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=NN1	REAL300000510690	0	34	-2.0	-101.99	332.28	2.89	-99.10
COC1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1OC	REAL300000510691	0	33	-2.0	-103.61	322.34	3.60	-100.01
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1	REAL300000510692	0	29	-2.0	-89.06	311.35	4.08	-84.98
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1	REAL300000510692	1	28	-3.0	-158.04	308.66	4.12	-153.92
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1	REAL300000510693	0	27	-2.0	-90.69	289.71	3.71	-86.98
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)=C1	REAL300000510694	0	32	-2.0	-103.52	320.40	6.08	-97.44
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=C1	REAL300000510695	1	32	-2.0	-103.15	317.57	4.73	-98.42
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510696	0	34	-2.0	-102.63	316.50	5.01	-97.62
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000510697	1	35	-2.0	-110.95	325.80	6.84	-104.11
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=C1	REAL300000510698	0	31	-2.0	-106.71	302.76	6.47	-100.24
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1	REAL300000510699	0	25	-2.0	-93.50	297.15	5.18	-88.32
CN1N=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1Cl	REAL300000510700	0	28	-2.0	-99.32	291.93	3.13	-96.19
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510701	0	41	-2.0	-105.60	365.87	7.49	-98.11
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000510702	0	33	-2.0	-102.17	323.53	5.72	-96.45
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)=C1	REAL300000510703	1	39	-2.0	-106.92	360.77	7.92	-99.00
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510704	0	34	-2.0	-116.56	309.90	6.90	-109.66
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)OC=C1	REAL300000510705	0	26	-2.0	-104.48	273.92	3.55	-100.93
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1	REAL300000510706	1	33	-2.0	-101.52	326.94	3.66	-97.86
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=C1	REAL300000510707	0	29	-2.0	-105.71	313.58	3.87	-101.84
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510708	0	37	-2.0	-106.64	353.97	4.11	-102.53
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300000510708	1	36	-3.0	-167.00	350.71	3.01	-163.99
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510709	0	30	-2.0	-95.32	299.82	4.47	-90.85
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510710	1	39	-2.0	-107.54	355.75	6.71	-100.83
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000510711	0	38	-2.0	-105.36	348.89	5.88	-99.48
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000510712	0	32	-2.0	-110.48	310.32	4.43	-106.05
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=C1	REAL300000510713	1	34	-2.0	-102.51	334.71	7.86	-94.65
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(=O)NC(=O)N1	REAL300000510714	0	31	-2.0	-107.80	295.16	0.80	-107.00
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000510716	0	31	-2.0	-108.19	328.39	6.01	-102.18
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510717	0	41	-2.0	-101.20	359.96	6.22	-94.98
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300000510718	0	25	-2.0	-100.73	270.85	3.58	-97.15
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1	REAL300000510719	0	25	-2.0	-98.17	280.89	4.59	-93.58
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510720	0	42	-2.0	-112.23	376.91	5.36	-106.87
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300000510721	0	34	-2.0	-108.37	330.93	7.91	-100.46
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510722	0	36	-2.0	-99.53	324.39	2.82	-96.71
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1	REAL300000510723	1	35	-2.0	-108.30	315.63	7.24	-101.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C)=N1	REAL300000510727	0	34	-2.0	-98.01	314.92	2.52	-95.49
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510728	0	34	-2.0	-108.54	319.47	2.92	-105.62
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)=C1	REAL300000510729	1	43	-2.0	-102.71	373.96	5.46	-97.25
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510730	0	31	-2.0	-102.46	314.78	2.77	-99.69
COC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000510731	0	34	-2.0	-99.05	319.41	2.49	-96.56
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000510732	0	37	-2.0	-101.64	335.04	5.22	-96.42
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510733	0	37	-2.0	-103.08	335.68	4.82	-98.26
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1	REAL300000510734	0	27	-2.0	-103.44	299.74	3.03	-100.41
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=CO1	REAL300000510735	0	26	-2.0	-104.49	275.04	3.49	-101.00
N#CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)SC=C1	REAL300000510736	0	26	-2.0	-104.54	284.13	4.41	-100.13
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510738	0	34	-2.0	-98.33	313.81	4.35	-93.98
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C	REAL300000510739	0	36	-2.0	-96.81	338.88	4.45	-92.36
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000510740	0	38	-2.0	-102.43	346.99	7.46	-94.97
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000510740	1	37	-3.0	-165.27	346.67	7.53	-157.74
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510741	0	31	-2.0	-111.37	311.36	6.85	-104.52
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1	REAL300000510742	0	35	-2.0	-98.29	324.30	5.19	-93.10
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300000510743	0	35	-2.0	-106.14	328.35	6.08	-100.06
COC1=NOC(CS(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510744	0	31	-2.0	-99.29	303.14	1.43	-97.86
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=NN1C(C)C	REAL300000510745	0	37	-2.0	-103.01	336.56	4.82	-98.19
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000510746	1	35	-2.0	-110.05	331.96	7.29	-102.76
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1	REAL300000510747	0	30	-2.0	-104.21	301.32	4.19	-100.02
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=C1	REAL300000510748	0	28	-2.0	-101.86	311.49	1.21	-100.65
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000510750	1	35	-2.0	-105.00	333.58	7.32	-97.68
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1	REAL300000510751	0	32	-2.0	-106.62	322.53	5.54	-101.08
O=C([O-])C1=CC(F)=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000510752	0	38	-2.0	-108.98	348.45	7.52	-101.46
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000510752	1	37	-3.0	-174.17	345.99	7.53	-166.64
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300000510753	1	29	-2.0	-105.31	283.11	2.23	-103.08
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510754	1	37	-2.0	-109.16	336.94	6.75	-102.41
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1	REAL300000510755	0	31	-2.0	-107.62	309.75	6.01	-101.61
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000510756	0	24	-2.0	-95.18	257.74	2.68	-92.50
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000510757	0	32	-2.0	-113.62	319.97	4.34	-109.28
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1	REAL300000510758	1	35	-2.0	-112.51	327.91	7.37	-105.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(Cl)=C1Cl	REAL300000510759	0	31	-2.0	-103.99	319.13	6.70	-97.29
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)=C1	REAL300000510760	0	32	-2.0	-99.54	323.56	4.94	-94.60
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=C1	REAL300000510761	0	35	-2.0	-104.02	340.02	6.13	-97.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C(C(F)F)=C1	REAL300000510762	1	35	-2.0	-101.36	329.34	5.40	-95.96
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)OC	REAL300000510763	1	41	-2.0	-103.05	376.01	6.70	-96.35
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(C(=O)[O-])=C3)C=C2C1	REAL300000510764	1	41	-2.0	-108.83	371.39	7.61	-101.22
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510765	0	33	-2.0	-111.92	312.87	4.66	-107.26
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510766	0	34	-2.0	-101.24	336.91	3.23	-98.01
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000510767	0	34	-2.0	-121.24	324.76	6.58	-114.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000510768	0	36	-2.0	-121.28	329.79	6.24	-115.04
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000510769	0	33	-3.0	-163.60	322.68	5.64	-157.96
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510770	0	41	-2.0	-114.27	361.54	7.06	-107.21
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000510771	0	28	-2.0	-97.31	297.33	5.48	-91.83
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000510772	0	24	-2.0	-99.33	258.67	2.20	-97.13
O=C([O-])C1=CC(F)=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1	REAL300000510773	0	35	-2.0	-104.04	317.81	4.39	-99.65
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000510774	0	31	-2.0	-109.36	298.99	5.80	-103.56
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)C=C1	REAL300000510776	1	30	-2.0	-99.49	312.83	3.08	-96.41
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(O)=C(Br)C(C(=O)[O-])=C1	REAL300000510777	0	30	-2.0	-115.15	310.12	2.96	-112.19
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC([O-])=C(Br)C(C(=O)[O-])=C1	REAL300000510777	1	29	-3.0	-222.09	306.55	3.73	-218.36
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(O)=C(Br)C(C(=O)[O-])=C1	REAL300000510778	0	32	-2.0	-102.34	308.24	0.51	-101.83
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC([O-])=C(Br)C(C(=O)[O-])=C1	REAL300000510778	1	31	-3.0	-203.56	304.68	1.27	-202.29
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(O)=C(Br)C(C(=O)[O-])=C1	REAL300000510779	0	31	-2.0	-97.35	306.94	1.62	-95.73
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC([O-])=C(Br)C(C(=O)[O-])=C1	REAL300000510779	1	30	-3.0	-196.28	303.37	2.38	-193.90
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000510780	1	32	-2.0	-107.62	313.42	3.36	-104.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC(O)=C1Br	REAL300000510782	0	26	-2.0	-104.89	283.94	1.70	-103.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC([O-])=C1Br	REAL300000510782	1	25	-3.0	-208.66	280.38	2.46	-206.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)C=C1	REAL300000510783	1	32	-2.0	-107.00	313.43	3.35	-103.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC(O)=C1Br	REAL300000510784	1	29	-2.0	-103.74	298.42	2.76	-100.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=CC(O)=C1Br	REAL300000510785	1	29	-2.0	-106.93	292.01	2.70	-104.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)S1	REAL300000510787	0	29	-2.0	-105.90	305.82	2.50	-103.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)S1	REAL300000510787	1	28	-3.0	-210.13	302.27	3.24	-206.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=CC(O)=C1Br	REAL300000510789	1	29	-2.0	-99.81	298.43	2.75	-97.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC(O)=C1Br	REAL300000510790	0	29	-2.0	-111.36	297.49	2.76	-108.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC([O-])=C1Br	REAL300000510790	1	28	-3.0	-217.48	293.95	3.52	-213.96
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000510791	0	29	-2.0	-103.98	296.56	0.41	-103.57
CN1C=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000510791	1	28	-3.0	-204.93	293.00	1.17	-203.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2)=CC(O)=C1Br	REAL300000510792	0	26	-2.0	-101.17	273.60	-0.92	-102.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2)=CC([O-])=C1Br	REAL300000510792	1	25	-3.0	-201.28	270.03	-0.16	-201.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC(O)=C1Br	REAL300000510793	0	28	-2.0	-97.90	293.42	0.98	-96.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC([O-])=C1Br	REAL300000510793	1	27	-3.0	-198.60	289.85	1.74	-196.86
CN1C=NC(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000510794	0	29	-2.0	-116.02	296.19	1.78	-114.24
CN1C=NC(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000510794	1	28	-3.0	-220.35	292.63	2.53	-217.82
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000510795	0	29	-2.0	-96.19	307.96	1.22	-94.97
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000510795	1	28	-3.0	-195.44	304.40	1.98	-193.46
CC1=NC(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)=CN1C	REAL300000510796	0	32	-2.0	-117.24	315.71	1.57	-115.67
CC1=NC(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)=CN1C	REAL300000510796	1	31	-3.0	-222.41	312.15	2.33	-220.08
CCN1C=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000510797	0	32	-2.0	-104.27	318.10	1.26	-103.01
CCN1C=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000510797	1	31	-3.0	-205.46	314.54	2.02	-203.44
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(O)=C(Br)C(C(=O)[O-])=C1	REAL300000510798	0	29	-2.0	-102.09	292.40	-0.25	-102.34
CC1=NNC=C1S(=O)(=O)[N-]C1=CC([O-])=C(Br)C(C(=O)[O-])=C1	REAL300000510798	1	28	-3.0	-202.71	288.86	0.49	-202.22
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(O)=C(Br)C(C(=O)[O-])=C1	REAL300000510799	1	32	-2.0	-106.60	307.50	3.46	-103.14
CN1C=CC(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)=N1	REAL300000510801	0	29	-2.0	-111.87	296.86	0.23	-111.64
CN1C=CC(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)=N1	REAL300000510801	1	28	-3.0	-215.75	293.29	0.99	-214.76
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(O)=C(Br)C(C(=O)[O-])=C1	REAL300000510802	0	29	-2.0	-98.92	292.25	0.32	-98.60
CN1N=CC=C1S(=O)(=O)[N-]C1=CC([O-])=C(Br)C(C(=O)[O-])=C1	REAL300000510802	1	28	-3.0	-198.35	288.69	1.07	-197.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC=N2)=CC(O)=C1Br	REAL300000510807	0	26	-2.0	-112.48	273.32	0.08	-112.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC=N2)=CC([O-])=C1Br	REAL300000510807	1	25	-3.0	-215.76	269.75	0.85	-214.91
CC1=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)SC=C1	REAL300000510809	0	29	-2.0	-107.41	302.75	2.33	-105.08
CC1=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)SC=C1	REAL300000510809	1	28	-3.0	-212.43	299.18	3.08	-209.35
CC1=NC=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)S1	REAL300000510819	0	28	-2.0	-102.67	300.54	0.52	-102.15
CC1=NC=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)S1	REAL300000510819	1	27	-3.0	-204.40	296.98	1.28	-203.12
CC1=CC(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)=C(C)O1	REAL300000510824	0	32	-2.0	-104.03	314.99	2.27	-101.76
CC1=CC(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)=C(C)O1	REAL300000510824	1	31	-3.0	-207.22	311.43	3.03	-204.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)O1	REAL300000510825	0	29	-2.0	-105.95	296.61	1.51	-104.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)O1	REAL300000510825	1	28	-3.0	-208.15	293.04	2.27	-205.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CO2)=CC(O)=C1Br	REAL300000510827	0	26	-2.0	-104.84	274.69	0.69	-104.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CO2)=CC([O-])=C1Br	REAL300000510827	1	25	-3.0	-206.63	271.13	1.45	-205.18
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(O)=C(Br)C(C(=O)[O-])=C1	REAL300000510828	0	28	-2.0	-94.03	285.43	-0.84	-94.87
CN1N=NC=C1S(=O)(=O)[N-]C1=CC([O-])=C(Br)C(C(=O)[O-])=C1	REAL300000510828	1	27	-3.0	-189.82	281.88	-0.08	-189.90
CC1=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)C(N)=NO1	REAL300000510832	0	30	-2.0	-97.19	298.45	0.08	-97.11
CC1=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)C(N)=NO1	REAL300000510832	1	29	-3.0	-195.00	294.88	0.86	-194.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000510834	0	31	-2.0	-103.87	308.62	1.52	-102.35
CC1=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000510837	0	32	-2.0	-99.85	308.91	1.17	-98.68
CC1=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000510837	1	31	-3.0	-200.42	305.34	1.93	-198.49
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)O1	REAL300000510838	0	26	-3.0	-197.62	292.38	1.98	-195.64
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)O1	REAL300000510838	1	27	-2.0	-98.57	295.94	1.23	-97.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2)=CC(O)=C1Br	REAL300000510839	0	26	-2.0	-102.89	283.12	1.60	-101.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC=C2)=CC(O)=C1Br	REAL300000510840	0	26	-2.0	-103.50	274.55	0.58	-102.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC=C2)=CC([O-])=C1Br	REAL300000510840	1	25	-3.0	-205.40	270.98	1.34	-204.06
CC1=CSC(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000510841	0	29	-2.0	-104.99	305.58	2.36	-102.63
CC1=CSC(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000510841	1	28	-3.0	-208.91	302.02	3.11	-205.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC(O)=C1Br	REAL300000510842	0	26	-2.0	-102.82	290.30	-0.51	-103.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC([O-])=C1Br	REAL300000510842	1	25	-3.0	-202.43	286.73	0.26	-202.17
CC1=NSC(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000510843	0	28	-2.0	-99.43	300.50	0.99	-98.44
CC1=NSC(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000510843	1	27	-3.0	-199.25	296.94	1.75	-197.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC(O)=C1Br	REAL300000510845	0	26	-2.0	-106.50	290.29	1.73	-104.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC([O-])=C1Br	REAL300000510845	1	25	-3.0	-211.20	286.73	2.49	-208.71
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(O)=C(Br)C(C(=O)[O-])=C1	REAL300000510847	1	29	-2.0	-129.87	297.37	-1.37	-131.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NC=CN2)=CC(O)=C1Br	REAL300000510848	0	26	-2.0	-107.00	273.64	-0.73	-107.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NC=CN2)=CC([O-])=C1Br	REAL300000510848	1	25	-3.0	-208.23	270.07	0.02	-208.21
CC1=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)C=NN1C	REAL300000510851	0	32	-2.0	-104.09	312.68	0.92	-103.17
CC1=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)C=NN1C	REAL300000510851	1	31	-3.0	-206.36	309.11	1.68	-204.68
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)C=C1	REAL300000510852	1	33	-2.0	-106.94	323.09	3.77	-103.17
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(O)=C(Br)C(C(=O)[O-])=C1	REAL300000510853	0	32	-2.0	-104.91	315.40	1.05	-103.86
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC([O-])=C(Br)C(C(=O)[O-])=C1	REAL300000510853	1	31	-3.0	-206.68	311.82	1.82	-204.86
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000510854	0	28	-3.0	-197.55	304.31	2.06	-195.49
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000510854	1	29	-2.0	-97.47	307.87	1.30	-96.17
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(O)=C(Br)C(C(=O)[O-])=C1	REAL300000510859	0	28	-2.0	-97.33	288.96	0.65	-96.68
CC1=NOC=C1S(=O)(=O)[N-]C1=CC([O-])=C(Br)C(C(=O)[O-])=C1	REAL300000510859	1	27	-3.0	-195.70	285.39	1.41	-194.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC(O)=C1Br	REAL300000510860	0	28	-2.0	-109.27	292.49	0.88	-108.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC([O-])=C1Br	REAL300000510860	1	27	-3.0	-212.50	288.96	1.63	-210.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC(O)=C1Br	REAL300000510862	0	28	-2.0	-97.04	293.43	0.85	-96.19
CC1=NC=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)N1C	REAL300000510865	0	32	-2.0	-104.12	311.16	1.75	-102.37
CC1=NC=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)N1C	REAL300000510865	1	31	-3.0	-204.94	307.60	2.50	-202.44
NC1=NC=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000510867	0	29	-2.0	-99.38	297.22	0.05	-99.33
NC1=NC=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000510867	1	28	-3.0	-199.09	293.66	0.81	-198.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC(O)=C1Br	REAL300000510868	0	25	-2.0	-99.19	278.75	0.40	-98.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC([O-])=C1Br	REAL300000510868	1	24	-3.0	-198.77	275.19	1.16	-197.61
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)N=N1	REAL300000510869	0	28	-2.0	-107.78	290.81	-0.98	-108.76
CN1C=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)N=N1	REAL300000510869	1	27	-3.0	-208.39	287.24	-0.23	-208.62
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(O)=C(Br)C(C(=O)[O-])=C1	REAL300000510870	0	31	-2.0	-94.63	307.24	0.03	-94.60
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC([O-])=C(Br)C(C(=O)[O-])=C1	REAL300000510870	1	30	-3.0	-191.40	303.68	0.79	-190.61
CC1=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)N=CN1	REAL300000510871	0	29	-2.0	-115.67	290.94	0.77	-114.90
CC1=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)N=CN1	REAL300000510871	1	28	-3.0	-219.96	287.37	1.53	-218.43
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000510873	0	32	-2.0	-99.79	314.19	0.91	-98.88
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000510873	1	31	-3.0	-199.47	310.62	1.67	-197.80
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)O1	REAL300000510875	0	32	-2.0	-105.89	318.10	2.29	-103.60
CCC1=CC=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)O1	REAL300000510875	1	31	-3.0	-208.39	314.53	3.05	-205.34
CCN1N=CC(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)=N1	REAL300000510876	0	31	-2.0	-103.95	312.72	-0.44	-104.39
CCN1N=CC(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)=N1	REAL300000510876	1	30	-3.0	-204.21	309.16	0.32	-203.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC(O)=C1Br	REAL300000510877	0	26	-2.0	-100.15	291.76	1.31	-98.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC([O-])=C1Br	REAL300000510877	1	25	-3.0	-200.21	288.20	2.07	-198.14
CC1=COC(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000510878	0	29	-2.0	-105.17	296.60	1.36	-103.81
CC1=COC(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)=C1	REAL300000510878	1	28	-3.0	-207.20	293.03	2.12	-205.08
N#CC1=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)OC=C1	REAL300000510879	0	27	-2.0	-106.31	293.85	1.16	-105.15
N#CC1=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)OC=C1	REAL300000510879	1	26	-3.0	-208.43	290.29	1.91	-206.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC(O)=C1Br	REAL300000510880	0	26	-2.0	-102.74	290.78	1.20	-101.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC([O-])=C1Br	REAL300000510880	1	25	-3.0	-204.25	287.22	1.96	-202.29
N#CC1=C(S(=O)(=O)[N-]C2=CC(O)=C(Br)C(C(=O)[O-])=C2)C=CO1	REAL300000510881	0	27	-2.0	-106.74	294.97	1.09	-105.65
N#CC1=C(S(=O)(=O)[N-]C2=CC([O-])=C(Br)C(C(=O)[O-])=C2)C=CO1	REAL300000510881	1	26	-3.0	-208.59	291.41	1.85	-206.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC(O)=C1Br	REAL300000510882	1	30	-2.0	-107.35	303.03	-0.16	-107.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC(O)=C1Br	REAL300000510883	0	25	-2.0	-97.45	277.66	0.29	-97.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC([O-])=C1Br	REAL300000510883	1	24	-3.0	-196.95	274.10	1.05	-195.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC(O)=C1Br	REAL300000510884	0	25	-2.0	-101.46	278.60	-0.20	-101.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC([O-])=C1Br	REAL300000510884	1	24	-3.0	-202.57	275.04	0.57	-202.00
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=C2C=CC(Cl)=C3Cl)=C1	REAL300000510902	0	33	-2.0	-101.59	323.03	6.61	-94.98
COC1=CC=C(Cl)C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000510935	0	38	-2.0	-112.37	367.44	7.04	-105.33
COC1=CC=C(Cl)C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000510951	0	36	-2.0	-110.26	336.31	5.18	-105.08
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000510974	0	38	-2.0	-112.61	348.52	6.34	-106.27
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000510975	0	38	-2.0	-102.26	342.97	6.29	-95.97
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000510976	0	38	-2.0	-114.36	343.98	6.30	-108.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1[N+](=O)[O-]	REAL300000510977	0	42	-2.0	-117.88	372.13	6.10	-111.78
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000510978	0	42	-2.0	-100.78	375.44	7.60	-93.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000510979	0	41	-2.0	-116.32	360.03	6.84	-109.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])=C1C	REAL300000510980	0	44	-2.0	-114.36	375.70	7.59	-106.77
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000510981	0	38	-2.0	-110.45	348.46	6.35	-104.10
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000510982	0	44	-2.0	-99.19	386.14	7.86	-91.33
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000510983	0	35	-2.0	-108.99	335.38	5.29	-103.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1[N+](=O)[O-]	REAL300000510984	0	41	-2.0	-112.94	358.42	7.07	-105.87
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000510985	0	42	-2.0	-99.51	373.64	6.55	-92.96
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000510986	0	39	-2.0	-113.25	350.63	5.66	-107.59
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1[N+](=O)[O-]	REAL300000510987	0	42	-2.0	-112.97	367.18	5.11	-107.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])=C1	REAL300000510988	0	38	-2.0	-105.47	351.30	5.95	-99.52
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000510989	0	44	-2.0	-114.42	375.51	7.63	-106.79
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000510990	0	35	-2.0	-110.45	334.20	5.30	-105.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000510991	0	42	-2.0	-120.84	370.27	6.35	-114.49
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1[N+](=O)[O-]	REAL300000510992	0	44	-2.0	-110.59	370.54	7.90	-102.69
CC1=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])C=C(C(=O)[O-])O1	REAL300000510993	0	38	-2.0	-106.93	345.57	5.42	-101.51
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])=C1	REAL300000510994	0	42	-2.0	-118.87	372.90	5.40	-113.47
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1[N+](=O)[O-]	REAL300000510995	0	41	-2.0	-104.03	363.68	7.10	-96.93
CC1=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])C=C(C(=O)[O-])S1	REAL300000510996	0	38	-2.0	-109.47	352.67	6.17	-103.30
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000510997	0	38	-2.0	-99.32	355.62	6.83	-92.49
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000510998	0	38	-2.0	-101.84	347.49	6.32	-95.52
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000510999	0	35	-2.0	-104.16	336.24	5.42	-98.74
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000511000	0	38	-2.0	-106.15	350.39	6.38	-99.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])=C1F	REAL300000511001	0	41	-2.0	-112.06	368.73	6.98	-105.08
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000511002	0	38	-2.0	-102.07	349.45	6.37	-95.70
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000511003	0	38	-2.0	-99.82	355.47	6.69	-93.13
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000511004	0	38	-3.0	-216.00	349.13	4.88	-211.12
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000511004	1	39	-2.0	-110.64	352.28	3.98	-106.66
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000511005	0	41	-2.0	-104.47	366.16	7.10	-97.37
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1[N+](=O)[O-]	REAL300000511006	0	41	-2.0	-112.66	352.58	6.90	-105.76
CC1=CC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000511007	0	41	-2.0	-113.61	367.43	6.93	-106.68
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1[N+](=O)[O-]	REAL300000511008	0	41	-2.0	-101.72	358.40	7.06	-94.66
CC1=CC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000511009	0	44	-2.0	-117.66	375.78	7.34	-110.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])C(C)=C1C(=O)[O-]	REAL300000511010	0	44	-2.0	-117.32	378.61	7.69	-109.63
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000511011	0	41	-2.0	-111.78	365.56	6.91	-104.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])=C1	REAL300000511012	0	41	-2.0	-122.67	369.02	7.00	-115.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000511013	0	44	-2.0	-116.97	376.90	7.47	-109.50
CCN1C=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000511014	0	42	-2.0	-113.90	370.51	6.49	-107.41
CC1=CC(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000511015	0	41	-2.0	-102.42	359.09	6.83	-95.59
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1[N+](=O)[O-]	REAL300000511016	0	41	-2.0	-109.74	362.54	7.09	-102.65
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000511017	0	38	-2.0	-121.40	346.62	6.30	-115.10
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000511018	0	41	-2.0	-105.84	363.52	6.84	-99.00
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000511019	0	37	-2.0	-112.95	338.78	4.40	-108.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(N(C)C)=CC=C1[N+](=O)[O-]	REAL300000511020	0	42	-2.0	-106.06	371.19	6.09	-99.97
CN(C)C1=CC=C([N+](=O)[O-])C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000511021	0	35	-2.0	-101.48	344.09	5.28	-96.20
CCC1=C(S(=O)(=O)[N-]C2=CC(N(C)C)=CC=C2[N+](=O)[O-])C=C(C(=O)[O-])O1	REAL300000511022	0	41	-2.0	-105.89	362.10	6.21	-99.68
COC(=O)C1=CC=C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000511056	0	39	-2.0	-121.02	346.23	6.31	-114.71
CCOC(=O)CC1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000511092	0	44	-2.0	-110.41	391.81	7.45	-102.96
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C2=CC=CC=C21	REAL300000511101	0	41	-2.0	-98.36	376.06	4.60	-93.76
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000511102	0	34	-2.0	-115.23	324.14	6.04	-109.19
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C2=CC=CC=C12	REAL300000511103	0	42	-2.0	-116.79	379.22	7.11	-109.68
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300000511104	0	34	-2.0	-104.89	319.59	6.02	-98.87
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000511105	0	34	-2.0	-118.15	319.61	6.01	-112.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C2=CC=CC=C21	REAL300000511106	0	38	-2.0	-124.03	347.74	5.83	-118.20
CN1N=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2=CC=CC=C21	REAL300000511107	0	38	-2.0	-104.66	351.05	7.31	-97.35
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000511108	0	37	-2.0	-119.56	335.63	6.55	-113.01
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C2=CC=CC=C21	REAL300000511109	0	34	-2.0	-113.59	332.68	6.58	-107.01
CN1N=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000511110	0	34	-2.0	-113.78	332.11	6.41	-107.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)=C1C	REAL300000511111	0	40	-2.0	-120.85	352.70	7.34	-113.51
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=CC=CC=C21	REAL300000511112	0	34	-2.0	-115.72	325.08	6.08	-109.64
CN1N=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C2=CC=CC=C21	REAL300000511113	0	40	-2.0	-104.03	363.17	7.60	-96.43
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=CC=C21	REAL300000511114	0	31	-2.0	-112.01	312.79	5.04	-106.97
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C2=CC=CC=C21	REAL300000511115	0	37	-2.0	-119.00	335.03	6.80	-112.20
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2=CC=CC=C21	REAL300000511116	0	38	-2.0	-103.31	350.67	6.30	-97.01
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000511117	0	35	-2.0	-116.31	326.25	5.36	-110.95
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C2=CC=CC=C21	REAL300000511118	0	38	-2.0	-119.23	343.81	4.82	-114.41
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)=C1	REAL300000511119	0	34	-2.0	-107.99	328.72	5.70	-102.29
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000511120	0	40	-2.0	-120.39	351.05	7.33	-113.06
CN1N=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000511121	0	31	-2.0	-113.56	311.26	5.05	-108.51
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)=CC(C(=O)[O-])=C1OC	REAL300000511122	0	42	-2.0	-118.30	377.92	5.82	-112.48
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000511123	0	38	-2.0	-124.02	346.88	6.08	-117.94
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C2=CC=CC=C21	REAL300000511124	0	44	-2.0	-123.10	374.84	8.64	-114.46
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C2=CC=CC=C21	REAL300000511125	0	43	-2.0	-121.33	373.50	8.02	-113.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C2=CC=CC=C21	REAL300000511126	0	40	-2.0	-117.05	349.74	7.73	-109.32
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C2=CC=CC=C21	REAL300000511127	0	41	-2.0	-124.77	370.03	6.58	-118.19
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000511128	0	36	-3.0	-194.27	348.01	6.58	-187.69
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C2=CC=CC=C21	REAL300000511129	0	41	-2.0	-123.38	363.85	7.90	-115.48
CC1=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000511130	0	34	-2.0	-111.37	322.61	5.16	-106.21
CN1N=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000511131	0	40	-2.0	-122.83	361.78	5.79	-117.04
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)=C1	REAL300000511132	0	38	-2.0	-118.86	348.59	5.11	-113.75
CN1N=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C2=CC=CC=C21	REAL300000511133	0	42	-2.0	-104.86	373.24	6.64	-98.22
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C2=CC=CC=C21	REAL300000511134	0	34	-2.0	-109.89	337.20	6.59	-103.30
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C2=CC=CC=C21	REAL300000511135	0	38	-2.0	-101.59	366.70	6.84	-94.75
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)=CC=C1OCC(=O)[O-]	REAL300000511136	0	41	-2.0	-103.76	370.76	7.01	-96.75
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C2=CC=CC=C21	REAL300000511137	0	37	-2.0	-109.09	340.32	6.83	-102.26
CN1N=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C2=CC=CC=C21	REAL300000511138	0	38	-2.0	-102.48	356.90	6.36	-96.12
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000511139	0	41	-2.0	-124.75	368.74	6.99	-117.76
CC1=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300000511140	0	34	-2.0	-115.13	328.23	5.91	-109.22
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C2=CC=CC=C21	REAL300000511141	0	34	-2.0	-102.29	332.65	6.57	-95.72
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC=CC=C21	REAL300000511142	0	34	-2.0	-104.20	324.12	6.05	-98.15
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=CC=C21	REAL300000511143	0	31	-2.0	-106.75	311.86	5.14	-101.61
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000511144	0	34	-2.0	-108.66	326.01	6.08	-102.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)=C1F	REAL300000511145	0	37	-2.0	-117.18	345.36	6.72	-110.46
COC1=CC(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C23)=C(Cl)C=C1C(=O)[O-]	REAL300000511146	0	38	-2.0	-106.76	359.91	6.63	-100.13
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=CC=CC=C21	REAL300000511147	0	34	-2.0	-104.53	325.06	6.09	-98.44
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=CC=CC=C21	REAL300000511148	0	34	-2.0	-102.38	332.09	6.42	-95.96
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C2=CC=CC=C21	REAL300000511149	0	37	-2.0	-110.82	349.06	7.22	-103.60
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C2=CC=CC=C21	REAL300000511150	0	42	-2.0	-101.23	383.35	7.43	-93.80
CN1N=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000511151	0	34	-2.0	-106.39	330.42	6.11	-100.28
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C2=CC=CC=C21	REAL300000511152	0	36	-2.0	-102.55	347.79	6.68	-95.87
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=CC=CC=C21	REAL300000511153	0	35	-2.0	-117.81	329.32	3.72	-114.09
CN1N=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=CC=CC=C21	REAL300000511154	0	37	-2.0	-109.03	341.77	6.80	-102.23
CN1N=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000511155	0	34	-2.0	-107.94	340.31	6.55	-101.39
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C)C2=CC=CC=C21	REAL300000511156	0	37	-2.0	-113.95	329.65	6.66	-107.29
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)=CC(C(=O)[O-])=C1F	REAL300000511157	0	37	-2.0	-116.55	344.44	6.67	-109.88
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C2=CC=CC=C21	REAL300000511158	0	37	-2.0	-104.93	335.01	6.79	-98.14
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000511159	0	40	-2.0	-122.77	356.40	7.18	-115.59
CN1N=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000511160	0	36	-2.0	-115.60	346.16	7.11	-108.49
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C2=CC=CC=C21	REAL300000511161	0	34	-2.0	-106.92	331.34	6.14	-100.78
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C(C)=C1C(=O)[O-]	REAL300000511162	0	40	-2.0	-118.14	354.08	7.39	-110.75
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000511163	0	37	-2.0	-117.00	341.08	6.61	-110.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)=C1Cl	REAL300000511164	0	37	-2.0	-115.38	351.37	7.14	-108.24
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)=C1	REAL300000511165	0	37	-2.0	-123.08	344.64	6.71	-116.37
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000511166	0	40	-2.0	-120.33	353.89	7.20	-113.13
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C=C1CC(=O)[O-]	REAL300000511167	0	41	-2.0	-119.89	370.07	6.15	-113.74
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C)C2=CC=CC=C21	REAL300000511168	0	37	-2.0	-106.99	345.87	7.19	-99.80
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C2=CC=CC=C21	REAL300000511169	0	37	-2.0	-101.23	349.72	6.83	-94.40
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)=CC(C(=O)[O-])=C1Cl	REAL300000511170	0	37	-2.0	-115.58	350.83	6.97	-108.61
CCN1C=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000511171	0	38	-2.0	-117.71	347.63	6.24	-111.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C(C)=C1CC(=O)[O-]	REAL300000511172	0	46	-2.0	-118.68	384.75	8.89	-109.79
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000511173	0	37	-2.0	-111.36	349.47	6.98	-104.38
CN1N=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000511174	0	43	-2.0	-114.28	369.03	8.08	-106.20
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C23)C=C1C(=O)[O-]	REAL300000511175	0	38	-2.0	-119.11	359.93	6.63	-112.48
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000511176	0	37	-2.0	-106.68	339.66	6.66	-100.02
CN1N=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C2=CC=CC=C21	REAL300000511177	0	39	-2.0	-110.61	362.87	8.20	-102.41
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C2=CC=CC=C21	REAL300000511178	0	37	-2.0	-115.92	339.56	6.82	-109.10
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C2=CC=CC=C21	REAL300000511179	0	36	-2.0	-125.43	343.35	7.88	-117.55
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=CC=CC=C21	REAL300000511180	0	34	-2.0	-122.32	323.26	6.05	-116.27
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000511181	0	37	-2.0	-109.57	340.77	6.59	-102.98
CN1N=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000511182	0	40	-2.0	-126.62	360.65	8.13	-118.49
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=CC=C21	REAL300000511183	0	33	-2.0	-115.94	315.82	4.14	-111.80
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C2=CC=CC=C21	REAL300000511184	0	38	-2.0	-109.49	347.80	5.82	-103.67
CN1N=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000511185	0	31	-2.0	-104.99	319.71	4.98	-100.01
CN1N=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C2=CC=CC=C21	REAL300000511186	0	41	-2.0	-111.87	365.73	7.90	-103.97
CN1N=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C2=CC=CC=C21	REAL300000511187	0	41	-2.0	-115.61	365.04	7.90	-107.71
CCC1=C(S(=O)(=O)[N-]C2=NN(C)C3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000511188	0	37	-2.0	-111.02	341.74	6.01	-105.01
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300000511189	0	35	-2.0	-107.33	330.61	5.33	-102.00
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(OC(F)F)=C1	REAL300000511190	0	35	-2.0	-97.34	326.05	5.31	-92.03
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300000511191	0	35	-2.0	-110.00	326.08	5.30	-104.70
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1OC(F)F	REAL300000511192	0	39	-2.0	-115.46	354.22	5.10	-110.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(OC(F)F)=C1	REAL300000511193	0	39	-2.0	-96.95	357.53	6.60	-90.35
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300000511194	0	38	-2.0	-111.22	342.10	5.84	-105.38
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(OC(F)F)=C1	REAL300000511195	0	35	-2.0	-105.37	339.14	5.89	-99.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300000511196	0	35	-2.0	-105.79	338.58	5.70	-100.09
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(OC(F)F)=C1	REAL300000511197	0	41	-2.0	-112.61	359.18	6.63	-105.98
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(OC(F)F)=C1	REAL300000511198	0	35	-2.0	-107.30	331.55	5.37	-101.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(OC(F)F)=C1	REAL300000511199	0	41	-2.0	-96.29	369.64	6.88	-89.41
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(OC(F)F)=C1	REAL300000511200	0	32	-2.0	-104.24	319.26	4.32	-99.92
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(OC(F)F)=C1	REAL300000511201	0	38	-2.0	-110.68	341.51	6.08	-104.60
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(OC(F)F)=C1	REAL300000511202	0	39	-2.0	-95.60	357.14	5.59	-90.01
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300000511203	0	36	-2.0	-108.30	332.72	4.65	-103.65
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(OC(F)F)=C1	REAL300000511204	0	39	-2.0	-111.28	349.85	4.14	-107.14
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C=C2OC(F)F)=C1	REAL300000511205	0	35	-2.0	-100.34	335.18	4.98	-95.36
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(OC(F)F)=C1	REAL300000511206	0	41	-2.0	-111.96	357.52	6.62	-105.34
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300000511207	0	32	-2.0	-105.65	317.72	4.34	-101.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300000511208	0	39	-2.0	-115.80	353.36	5.37	-110.43
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(OC(F)F)=C1	REAL300000511209	0	44	-2.0	-112.86	379.97	7.31	-105.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1OC(F)F	REAL300000511210	0	41	-2.0	-108.67	356.19	7.02	-101.65
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(OC(F)F)=C1	REAL300000511211	0	42	-2.0	-115.12	370.32	7.20	-107.92
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000511212	0	35	-2.0	-103.64	329.08	4.44	-99.20
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(OC(F)F)=C1	REAL300000511213	0	39	-2.0	-110.92	354.99	4.38	-106.54
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(OC(F)F)=C1	REAL300000511214	0	38	-2.0	-101.21	346.78	6.11	-95.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300000511215	0	35	-2.0	-107.12	334.70	5.19	-101.93
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(OC(F)F)=C1	REAL300000511216	0	35	-2.0	-94.74	339.13	5.87	-88.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(OC(F)F)=C1	REAL300000511217	0	35	-2.0	-96.80	330.59	5.34	-91.46
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(OC(F)F)=C1	REAL300000511218	0	32	-2.0	-99.05	318.34	4.42	-94.63
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300000511219	0	35	-2.0	-100.82	332.49	5.36	-95.46
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(OC(F)F)=C1	REAL300000511220	0	38	-2.0	-108.76	351.82	6.00	-102.76
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(OC(F)F)=C1	REAL300000511221	0	35	-2.0	-96.86	331.54	5.37	-91.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(OC(F)F)=C1	REAL300000511222	0	35	-2.0	-94.91	338.56	5.71	-89.20
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300000511223	0	35	-2.0	-98.89	336.89	5.40	-93.49
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(OC(F)F)=C1	REAL300000511224	0	36	-2.0	-109.49	335.79	3.00	-106.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(OC(F)F)=C1	REAL300000511225	0	38	-2.0	-101.07	348.24	6.08	-94.99
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(OC(F)F)=C1	REAL300000511226	0	38	-2.0	-105.94	336.11	5.94	-100.00
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300000511227	0	38	-2.0	-108.74	350.91	5.95	-102.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(OC(F)F)=C1	REAL300000511228	0	38	-2.0	-97.40	341.48	6.08	-91.32
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300000511229	0	41	-2.0	-113.13	358.95	6.36	-106.77
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(OC(F)F)=C1	REAL300000511230	0	35	-2.0	-98.90	337.81	5.43	-93.47
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(OC(F)F)=C1	REAL300000511231	0	41	-2.0	-110.10	360.55	6.69	-103.41
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(OC(F)F)=C1	REAL300000511232	0	38	-2.0	-109.58	351.39	5.99	-103.59
CC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(OC(F)F)=C1	REAL300000511233	0	38	-2.0	-114.78	351.12	5.98	-108.80
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300000511234	0	41	-2.0	-111.95	360.04	6.48	-105.47
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300000511235	0	39	-2.0	-109.60	354.10	5.51	-104.09
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(OC(F)F)=C1	REAL300000511236	0	38	-2.0	-99.06	346.13	5.95	-93.11
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(OC(F)F)=C1	REAL300000511237	0	38	-2.0	-107.95	346.02	6.12	-101.83
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(OC(F)F)=C1	REAL300000511238	0	35	-2.0	-113.93	329.73	5.33	-108.60
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300000511239	0	38	-2.0	-101.63	347.24	5.88	-95.75
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(OC(F)F)=C1	REAL300000511240	0	34	-2.0	-107.78	322.29	3.42	-104.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1OC(F)F	REAL300000511241	0	39	-2.0	-101.60	354.28	5.10	-96.50
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300000511242	0	32	-2.0	-97.60	326.18	4.27	-93.33
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(OC(F)F)=C1	REAL300000511243	0	42	-2.0	-104.10	372.20	7.19	-96.91
CC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(OC(F)F)=C1	REAL300000511244	0	42	-2.0	-106.67	370.16	7.16	-99.51
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000511245	0	38	-2.0	-103.33	348.19	5.29	-98.04
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000511246	0	35	-2.0	-107.81	330.61	5.32	-102.49
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000511247	0	35	-2.0	-97.78	326.07	5.30	-92.48
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000511248	0	35	-2.0	-110.46	326.08	5.29	-105.17
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC=C1OC(F)F	REAL300000511249	0	39	-2.0	-115.89	354.22	5.09	-110.80
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000511250	0	39	-2.0	-97.40	357.54	6.59	-90.81
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000511251	0	38	-2.0	-111.76	342.09	5.82	-105.94
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000511252	0	35	-2.0	-105.87	339.15	5.85	-100.02
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000511253	0	35	-2.0	-106.31	338.58	5.69	-100.62
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000511254	0	41	-2.0	-113.39	358.74	6.63	-106.76
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000511255	0	35	-2.0	-107.76	331.54	5.35	-102.41
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000511256	0	41	-2.0	-96.74	369.66	6.87	-89.87
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000511257	0	32	-2.0	-104.68	319.27	4.31	-100.37
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000511258	0	38	-2.0	-111.17	341.51	6.07	-105.10
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000511259	0	39	-2.0	-96.02	357.16	5.57	-90.45
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000511260	0	36	-2.0	-108.74	332.71	4.64	-104.10
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000511261	0	39	-2.0	-111.81	349.86	4.13	-107.68
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=CC=C2OC(F)F)=C1	REAL300000511262	0	35	-2.0	-100.72	335.21	4.97	-95.75
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000511263	0	41	-2.0	-112.53	357.53	6.60	-105.93
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000511264	0	32	-2.0	-106.06	317.72	4.33	-101.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000511265	0	39	-2.0	-116.38	353.37	5.36	-111.02
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000511266	0	44	-2.0	-113.37	379.98	7.30	-106.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC=C1OC(F)F	REAL300000511267	0	41	-2.0	-109.13	356.20	7.01	-102.12
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000511268	0	42	-2.0	-115.56	370.32	7.19	-108.37
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000511269	0	35	-2.0	-104.08	329.08	4.43	-99.65
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000511270	0	39	-2.0	-111.38	354.99	4.37	-107.01
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000511271	0	38	-2.0	-101.66	346.78	6.10	-95.56
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300000511272	0	35	-2.0	-107.48	335.77	5.17	-102.31
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000511273	0	35	-2.0	-95.15	339.13	5.86	-89.29
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000511274	0	35	-2.0	-97.18	330.59	5.33	-91.85
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000511275	0	32	-2.0	-99.53	318.34	4.41	-95.12
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000511276	0	35	-2.0	-101.26	332.49	5.35	-95.91
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000511277	0	38	-2.0	-109.24	351.82	5.99	-103.25
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000511278	0	35	-2.0	-97.35	331.54	5.36	-91.99
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000511279	0	35	-2.0	-95.28	338.56	5.70	-89.58
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000511280	0	35	-2.0	-99.27	336.89	5.39	-93.88
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000511281	0	36	-2.0	-109.97	335.78	3.00	-106.97
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000511282	0	38	-2.0	-101.60	348.26	6.07	-95.53
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000511283	0	38	-2.0	-106.40	336.11	5.92	-100.48
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000511284	0	38	-2.0	-109.19	350.91	5.94	-103.25
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000511285	0	38	-2.0	-97.79	341.49	6.06	-91.73
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000511286	0	41	-2.0	-113.60	359.54	6.37	-107.23
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000511287	0	35	-2.0	-99.37	337.81	5.42	-93.95
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000511288	0	41	-2.0	-110.80	359.61	6.71	-104.09
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000511289	0	38	-2.0	-110.10	351.39	5.98	-104.12
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000511290	0	38	-2.0	-115.35	351.11	5.97	-109.38
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000511291	0	41	-2.0	-112.46	360.40	6.47	-105.99
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000511292	0	39	-2.0	-110.06	354.03	5.49	-104.57
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000511293	0	38	-2.0	-97.94	342.08	5.84	-92.10
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000511294	0	38	-2.0	-108.75	345.61	6.12	-102.63
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000511295	0	35	-2.0	-114.44	329.70	5.32	-109.12
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000511296	0	38	-2.0	-102.17	347.24	5.87	-96.30
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000511297	0	34	-2.0	-107.61	323.05	3.36	-104.25
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC=C1OC(F)F	REAL300000511298	0	39	-2.0	-102.08	354.27	5.09	-96.99
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000511299	0	32	-2.0	-97.96	326.18	4.26	-93.70
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000511300	0	42	-2.0	-104.45	372.20	7.18	-97.27
CC1=CC=C(OC(F)F)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000511301	0	42	-2.0	-107.20	370.16	7.15	-100.05
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000511302	0	38	-2.0	-103.81	348.20	5.28	-98.53
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1N	REAL300000511303	1	39	-2.0	-102.49	355.38	4.85	-97.64
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1N	REAL300000511304	1	39	-2.0	-92.90	350.83	4.83	-88.07
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1N	REAL300000511305	1	39	-2.0	-104.79	350.85	4.82	-99.97
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1N	REAL300000511306	0	43	-2.0	-109.90	378.99	4.62	-105.28
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1N	REAL300000511307	1	43	-2.0	-92.42	382.30	6.12	-86.30
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1N	REAL300000511308	1	42	-2.0	-105.85	366.67	5.34	-100.51
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1N	REAL300000511309	1	45	-2.0	-107.84	383.51	6.16	-101.68
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1N	REAL300000511310	0	39	-2.0	-102.01	356.33	4.88	-97.13
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1N	REAL300000511311	1	45	-2.0	-91.74	394.42	6.40	-85.34
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1N	REAL300000511312	0	36	-2.0	-99.55	344.03	3.83	-95.72
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1N	REAL300000511313	1	42	-2.0	-105.58	366.28	5.60	-99.98
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1N	REAL300000511314	1	43	-2.0	-91.08	381.91	5.10	-85.98
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1N	REAL300000511315	0	40	-2.0	-103.44	358.24	4.16	-99.28
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1N	REAL300000511316	1	43	-2.0	-106.53	374.63	3.66	-102.87
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1N	REAL300000511317	0	39	-2.0	-95.62	359.96	4.49	-91.13
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1N	REAL300000511318	1	45	-2.0	-106.78	383.22	6.13	-100.65
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1N	REAL300000511319	0	36	-2.0	-100.92	343.25	3.84	-97.08
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1N	REAL300000511320	1	43	-2.0	-110.58	378.13	4.89	-105.69
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1N	REAL300000511321	1	45	-2.0	-104.19	378.95	6.57	-97.62
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1N	REAL300000511322	0	39	-2.0	-99.01	353.85	3.95	-95.06
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1N	REAL300000511323	0	43	-2.0	-105.75	379.77	3.91	-101.84
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1N	REAL300000511324	1	42	-2.0	-96.66	371.55	5.64	-91.02
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1N	REAL300000511325	0	39	-2.0	-102.33	360.54	4.70	-97.63
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1N	REAL300000511326	0	39	-2.0	-90.48	363.90	5.39	-85.09
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1N	REAL300000511327	1	39	-2.0	-92.53	355.36	4.86	-87.67
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1N	REAL300000511328	0	36	-2.0	-94.56	343.11	3.95	-90.61
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1N	REAL300000511329	0	39	-2.0	-95.97	358.01	4.88	-91.09
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1N	REAL300000511330	0	42	-2.0	-103.36	376.60	5.51	-97.85
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1N	REAL300000511331	0	39	-2.0	-92.16	356.31	4.89	-87.27
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1N	REAL300000511332	1	39	-2.0	-90.48	363.33	5.22	-85.26
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1N	REAL300000511333	0	40	-2.0	-104.54	360.56	2.53	-102.01
CCOC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1N	REAL300000511333	1	40	-2.0	-105.54	354.85	3.36	-102.18
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1N	REAL300000511334	1	42	-2.0	-96.76	373.02	5.59	-91.17
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1N	REAL300000511335	1	42	-2.0	-101.22	360.69	5.45	-95.77
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1N	REAL300000511336	1	42	-2.0	-103.85	376.43	5.46	-98.39
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1N	REAL300000511337	1	42	-2.0	-93.10	366.25	5.59	-87.51
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1N	REAL300000511338	1	45	-2.0	-107.83	385.02	5.88	-101.95
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1N	REAL300000511339	1	45	-2.0	-105.37	384.36	6.23	-99.14
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1N	REAL300000511340	0	42	-2.0	-104.39	376.03	5.52	-98.87
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1N	REAL300000511341	0	42	-2.0	-109.50	375.88	5.51	-103.99
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1N	REAL300000511342	1	45	-2.0	-106.44	386.01	5.99	-100.45
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1N	REAL300000511343	0	43	-2.0	-104.55	379.66	5.01	-99.54
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1N	REAL300000511344	1	42	-2.0	-92.79	366.65	5.35	-87.44
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1N	REAL300000511345	1	42	-2.0	-103.16	370.80	5.63	-97.53
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1N	REAL300000511346	0	39	-2.0	-108.77	354.48	4.85	-103.92
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1N	REAL300000511347	1	42	-2.0	-96.77	372.27	5.40	-91.37
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1N	REAL300000511348	0	38	-2.0	-101.85	347.83	2.88	-98.97
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1N	REAL300000511349	0	43	-2.0	-96.74	379.05	4.62	-92.12
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1N	REAL300000511350	0	36	-2.0	-93.01	350.95	3.80	-89.21
CCOC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1N	REAL300000511351	0	42	-2.0	-98.65	372.97	4.80	-93.85
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)C=N1	REAL300000511352	1	38	-2.0	-108.29	350.27	6.32	-101.97
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2)C=N1	REAL300000511353	1	38	-2.0	-98.31	345.71	6.30	-92.01
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)C=N1	REAL300000511354	1	38	-2.0	-110.78	345.75	6.29	-104.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN(C)N=C2)C=C1	REAL300000511355	0	42	-2.0	-116.21	373.88	6.09	-110.12
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2)C=N1	REAL300000511356	1	42	-2.0	-97.77	377.18	7.58	-90.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)C=C1C(=O)[O-]	REAL300000511357	1	41	-2.0	-113.32	365.82	6.94	-106.38
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2)C=N1	REAL300000511358	0	38	-2.0	-106.29	358.81	6.86	-99.43
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2)C=N1	REAL300000511359	1	38	-2.0	-106.57	358.24	6.68	-99.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)=C1C	REAL300000511360	1	44	-2.0	-113.56	378.13	7.60	-105.96
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)C=N1	REAL300000511361	0	38	-2.0	-107.98	351.21	6.35	-101.63
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2)C=N1	REAL300000511362	1	44	-2.0	-97.09	389.30	7.88	-89.21
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)C=N1	REAL300000511363	0	35	-2.0	-105.05	338.92	5.30	-99.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN(C)N=C2)C=C1	REAL300000511364	1	41	-2.0	-111.62	361.17	7.07	-104.55
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)C=N1	REAL300000511366	0	39	-2.0	-109.21	352.39	5.64	-103.57
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)=C1	REAL300000511368	0	38	-2.0	-101.24	354.87	5.97	-95.27
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)C=N1	REAL300000511370	0	35	-2.0	-106.44	337.39	5.32	-101.12
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN(C)N=C2)C=C1	REAL300000511372	1	47	-2.0	-113.85	399.64	8.31	-105.54
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN(C)N=C2)C=C1	REAL300000511373	1	44	-2.0	-109.94	375.89	8.01	-101.93
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2)C=N1	REAL300000511374	1	45	-2.0	-115.85	389.98	8.18	-107.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000511375	0	38	-2.0	-106.54	348.74	5.43	-101.11
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)=C1	REAL300000511376	0	42	-2.0	-111.98	374.70	5.38	-106.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CN(C)N=C2)C=C1	REAL300000511377	1	41	-2.0	-102.18	366.46	7.11	-95.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000511378	1	38	-2.0	-108.09	354.35	6.18	-101.91
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2)C=N1	REAL300000511379	0	38	-2.0	-95.79	358.79	6.85	-88.94
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)C=N1	REAL300000511380	1	38	-2.0	-97.80	350.27	6.33	-91.47
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)C=N1	REAL300000511381	0	35	-2.0	-101.53	338.01	5.42	-96.11
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)C=N1	REAL300000511382	1	38	-2.0	-101.60	352.14	6.36	-95.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)=C1F	REAL300000511383	0	41	-2.0	-109.40	371.49	6.99	-102.41
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)C=N1	REAL300000511384	0	38	-2.0	-97.70	351.20	6.36	-91.34
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)C=N1	REAL300000511385	1	38	-2.0	-95.78	358.24	6.69	-89.09
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2)C=N1	REAL300000511386	1	38	-2.0	-99.74	356.56	6.38	-93.36
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)C=N1	REAL300000511387	0	39	-2.0	-110.57	355.45	4.00	-106.57
CN1C=C(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)C=N1	REAL300000511387	1	39	-2.0	-108.86	354.66	4.80	-104.06
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)C=N1	REAL300000511388	1	41	-2.0	-101.71	367.90	7.07	-94.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CN(C)N=C2)C=C1	REAL300000511389	1	41	-2.0	-108.00	359.56	7.03	-100.97
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000511390	1	41	-2.0	-109.59	370.57	6.94	-102.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)=CC(C(=O)[O-])=C1C	REAL300000511392	1	44	-2.0	-113.87	378.61	7.36	-106.51
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2)C=N1	REAL300000511393	0	38	-2.0	-99.65	357.49	6.42	-93.23
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)C=C1C(=O)[O-]	REAL300000511395	0	41	-2.0	-109.13	367.21	6.89	-102.24
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)=C1	REAL300000511396	0	41	-2.0	-115.78	370.75	6.98	-108.80
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)C=C1C(=O)[O-]	REAL300000511397	1	44	-2.0	-112.58	379.67	7.47	-105.11
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)C=C1C(=O)[O-]	REAL300000511398	0	42	-2.0	-110.53	373.76	6.51	-104.02
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)=CC=C1C(=O)[O-]	REAL300000511399	1	41	-2.0	-98.43	361.74	6.83	-91.60
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)C=N1	REAL300000511401	0	38	-2.0	-114.99	349.35	6.31	-108.68
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)C=C1C(=O)[O-]	REAL300000511402	1	41	-2.0	-103.42	370.67	6.97	-96.45
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)C=N1	REAL300000511403	0	37	-2.0	-108.49	341.95	4.41	-104.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CN(C)N=C2)C=C1	REAL300000511404	0	42	-2.0	-102.50	373.94	6.08	-96.42
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)C=N1	REAL300000511405	0	35	-2.0	-100.12	345.88	5.26	-94.86
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2)C=N1	REAL300000511406	1	45	-2.0	-104.72	391.86	8.18	-96.54
CN1C=C(C2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2)C=N1	REAL300000511407	1	45	-2.0	-107.23	391.18	8.18	-99.05
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CN(C)N=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000511408	0	41	-2.0	-104.48	367.86	6.28	-98.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3CC2CC2)C=C1	REAL300000511409	1	41	-2.0	-89.91	373.33	7.54	-82.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3CC2CC2)=C1	REAL300000511410	1	41	-2.0	-101.21	373.34	7.54	-93.67
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3CC2CC2)=C1	REAL300000511411	0	38	-2.0	-95.69	366.52	6.55	-89.14
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3CC2CC2)C=C1C(=O)[O-]	REAL300000511412	0	42	-2.0	-99.88	379.98	6.88	-93.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3CC2CC2)=CS1	REAL300000511413	0	38	-2.0	-97.13	364.99	6.57	-90.56
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3CC2CC2)C=C(C(=O)[O-])O1	REAL300000511414	0	41	-2.0	-95.34	376.35	6.68	-88.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3CC2CC2)S1	REAL300000511415	0	38	-2.0	-91.21	365.61	6.66	-84.55
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3C(=C2)OC(=O)N3CC2CC2)=C1	REAL300000511416	0	40	-2.0	-97.21	370.33	5.59	-91.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(OC3=CC=CC=C3)=CC=C2O)C=C1	REAL300000511439	0	40	-2.0	-96.55	358.03	7.22	-89.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC3=CC=CC=C3)=CC=C2O)=C1	REAL300000511440	0	40	-2.0	-109.85	358.03	7.21	-102.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC3=CC=CC=C3)=CC=C2O)C=C1C(=O)[O-]	REAL300000511441	0	43	-2.0	-110.93	374.78	7.77	-103.16
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(OC3=CC=CC=C3)=CC=C2O)=C1	REAL300000511442	0	37	-2.0	-102.62	351.25	6.27	-96.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300000511443	0	43	-2.0	-107.98	373.49	7.95	-100.03
CN1C=C(S(=O)(=O)[N-]C2=CC(OC3=CC=CC=C3)=CC=C2O)C=C1C(=O)[O-]	REAL300000511444	0	41	-2.0	-106.60	364.68	6.60	-100.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(OC3=CC=CC=C3)=CC=C2O)=CS1	REAL300000511445	0	37	-2.0	-103.55	349.68	6.26	-97.29
CC1=C(S(=O)(=O)[N-]C2=CC(OC3=CC=CC=C3)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000511446	0	40	-2.0	-101.91	361.07	6.35	-95.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(OC3=CC=CC=C3)=CC=C2O)S1	REAL300000511447	0	37	-2.0	-98.48	350.33	6.37	-92.11
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC3=CC=CC=C3)=CC=C2O)C=C1	REAL300000511448	0	43	-2.0	-99.50	380.20	7.99	-91.51
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300000511449	0	43	-2.0	-106.14	368.65	7.82	-98.32
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300000511450	0	43	-2.0	-96.42	373.48	7.94	-88.48
CC1=CC(S(=O)(=O)[N-]C2=CC(OC3=CC=CC=C3)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000511451	0	43	-2.0	-96.28	375.68	7.83	-88.45
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(OC3=CC=CC=C3)=CC=C2O)=C1	REAL300000511452	0	39	-2.0	-107.04	354.24	5.36	-101.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CC=C1F	REAL300000511453	1	35	-2.0	-109.32	326.00	5.98	-103.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1	REAL300000511454	1	35	-2.0	-99.39	321.41	5.96	-93.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1	REAL300000511455	1	35	-2.0	-111.61	321.46	5.95	-105.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC(=O)C2=C1	REAL300000511456	0	39	-2.0	-115.90	349.57	5.75	-110.15
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1	REAL300000511457	1	39	-2.0	-98.71	352.92	7.25	-91.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000511458	1	38	-2.0	-114.23	341.53	6.60	-107.63
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1	REAL300000511459	0	35	-2.0	-106.26	334.50	6.53	-99.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CC=C1Cl	REAL300000511460	1	35	-2.0	-107.67	333.98	6.34	-101.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1C	REAL300000511461	1	41	-2.0	-113.38	354.14	7.31	-106.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1	REAL300000511462	0	35	-2.0	-108.03	326.90	6.02	-102.01
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1	REAL300000511463	1	41	-2.0	-97.59	364.99	7.54	-90.05
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1	REAL300000511464	0	32	-2.0	-105.99	314.65	4.97	-101.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC(=O)C2=C1	REAL300000511465	1	38	-2.0	-111.18	336.86	6.74	-104.44
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1	REAL300000511466	1	39	-2.0	-97.43	352.54	6.24	-91.19
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000511467	0	36	-2.0	-110.15	328.10	5.30	-104.85
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1	REAL300000511469	0	35	-2.0	-102.30	330.55	5.64	-96.66
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000511470	1	41	-2.0	-112.81	352.53	7.30	-105.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CS1	REAL300000511471	0	32	-2.0	-107.41	313.11	4.98	-102.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000511472	1	39	-2.0	-117.50	348.74	6.02	-111.48
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC(=O)C2=C1	REAL300000511473	1	44	-2.0	-113.24	375.33	7.95	-105.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC(=O)C2=C1	REAL300000511474	1	41	-2.0	-109.19	351.55	7.68	-101.51
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC(=O)C2=C1	REAL300000511475	0	42	-2.0	-117.61	371.86	6.52	-111.09
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3CCOC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000511476	0	38	-2.0	-114.41	352.30	6.52	-107.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000511476	1	37	-3.0	-187.99	349.83	6.52	-181.47
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1	REAL300000511477	1	42	-2.0	-115.34	365.67	7.85	-107.49
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000511478	0	35	-2.0	-104.99	324.47	5.09	-99.90
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1	REAL300000511479	0	39	-2.0	-113.21	350.41	5.04	-108.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C(Cl)C=C1F	REAL300000511480	0	35	-2.0	-103.04	339.02	6.54	-96.50
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CC=C1OCC(=O)[O-]	REAL300000511481	1	42	-2.0	-97.94	372.60	6.94	-91.00
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC(=O)C2=C1	REAL300000511482	1	38	-2.0	-102.15	342.17	6.77	-95.38
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1F	REAL300000511483	1	39	-2.0	-96.94	358.72	6.30	-90.64
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000511484	1	42	-2.0	-118.27	370.59	6.93	-111.34
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000511485	0	35	-2.0	-107.91	330.03	5.84	-102.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C(Cl)=C1	REAL300000511486	0	35	-2.0	-97.05	334.48	6.51	-90.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1F	REAL300000511487	1	35	-2.0	-98.95	325.94	5.99	-92.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)S1	REAL300000511488	0	32	-2.0	-101.17	313.73	5.08	-96.09
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1	REAL300000511489	1	35	-2.0	-102.56	327.87	6.02	-96.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1F	REAL300000511490	0	38	-2.0	-109.48	347.18	6.65	-102.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C(F)=C1	REAL300000511491	0	35	-2.0	-99.01	326.89	6.02	-92.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1Cl	REAL300000511492	1	35	-2.0	-97.01	333.91	6.35	-90.66
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC(=O)C2=C1	REAL300000511493	1	38	-2.0	-103.73	350.90	7.15	-96.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CC(F)=C1F	REAL300000511494	1	35	-2.0	-100.90	332.25	6.05	-94.85
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1	REAL300000511495	0	37	-2.0	-96.90	349.65	6.62	-90.28
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1	REAL300000511496	0	36	-2.0	-109.70	331.14	3.67	-106.03
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CCOC(=O)C3=C2)=C1	REAL300000511496	1	36	-2.0	-108.44	320.20	4.55	-103.89
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1	REAL300000511497	1	38	-2.0	-101.94	343.60	6.74	-95.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CC(Cl)=C1F	REAL300000511498	1	35	-2.0	-102.31	342.13	6.48	-95.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CCOC(=O)C2=C1	REAL300000511499	1	38	-2.0	-108.94	331.50	6.59	-102.35
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000511500	1	38	-2.0	-110.49	346.26	6.60	-103.89
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCOC(=O)C2=C1	REAL300000511501	1	38	-2.0	-99.33	336.84	6.72	-92.61
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000511502	1	41	-2.0	-116.34	358.26	7.12	-109.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CC=C1[N+](=O)[O-]	REAL300000511503	0	37	-2.0	-110.10	348.01	7.05	-103.05
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1	REAL300000511504	0	35	-2.0	-100.01	333.18	6.08	-93.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000511505	1	41	-2.0	-113.19	355.91	7.34	-105.85
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000511506	0	38	-2.0	-110.40	346.78	6.65	-103.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1Cl	REAL300000511507	0	38	-2.0	-107.99	353.21	7.09	-100.90
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1	REAL300000511508	0	38	-2.0	-117.90	346.49	6.64	-111.26
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000511509	1	41	-2.0	-113.47	355.39	7.14	-106.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1CC(=O)[O-]	REAL300000511510	1	42	-2.0	-112.31	371.93	6.08	-106.23
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2CCOC(=O)C2=C1	REAL300000511511	1	38	-2.0	-101.90	348.21	7.10	-94.80
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000511512	1	38	-2.0	-109.21	352.65	6.91	-102.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000511513	0	39	-2.0	-111.57	349.47	6.16	-105.41
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000511514	1	38	-2.0	-106.38	355.17	7.02	-99.36
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000511515	1	38	-2.0	-99.62	337.46	6.50	-93.12
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC(=O)C2=C1	REAL300000511516	1	38	-2.0	-108.59	341.38	6.78	-101.81
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CC=C1	REAL300000511517	0	37	-2.0	-120.40	345.22	7.81	-112.59
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CC=C1	REAL300000511518	0	35	-2.0	-117.07	325.05	5.98	-111.09
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000511519	1	38	-2.0	-104.55	346.37	6.63	-97.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=CC2=CC=CC=C21	REAL300000511520	1	41	-2.0	-120.13	362.50	8.07	-112.06
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C1	REAL300000511521	0	34	-2.0	-109.32	317.65	4.08	-105.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCOC(=O)C2=C1	REAL300000511522	0	39	-2.0	-103.46	349.63	5.75	-97.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)=C(Cl)O1	REAL300000511523	0	32	-2.0	-99.26	321.61	4.93	-94.33
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCOC(=O)C4=C3)C=C2)CC1	REAL300000511524	1	42	-2.0	-105.26	367.59	7.84	-97.42
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCOC(=O)C4=C3)C=C2C1	REAL300000511525	1	42	-2.0	-110.69	366.86	7.84	-102.85
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCOC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000511526	0	38	-2.0	-104.54	343.60	5.94	-98.60
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000511527	0	47	-2.0	-90.14	399.66	4.07	-86.07
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000511528	0	40	-2.0	-107.34	347.73	5.52	-101.82
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000511529	0	48	-2.0	-107.39	401.80	6.52	-100.87
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000511530	0	40	-2.0	-97.48	343.19	5.50	-91.98
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000511531	0	40	-2.0	-109.34	343.20	5.49	-103.85
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000511532	0	44	-2.0	-115.37	370.32	5.23	-110.14
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000511533	0	44	-2.0	-96.31	374.65	6.78	-89.53
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000511534	0	43	-2.0	-109.85	360.61	6.20	-103.65
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000511535	0	40	-2.0	-105.92	355.27	6.01	-99.91
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000511536	0	40	-2.0	-105.81	355.71	5.88	-99.93
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000511537	0	46	-2.0	-113.36	374.87	6.80	-106.56
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000511538	0	40	-2.0	-107.31	347.66	5.52	-101.79
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000511539	0	46	-2.0	-95.54	386.79	7.08	-88.46
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000511540	0	37	-2.0	-104.27	335.35	4.49	-99.78
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000511541	0	43	-2.0	-110.90	357.69	6.24	-104.66
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000511542	0	44	-2.0	-95.09	374.29	5.77	-89.32
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000511543	0	41	-2.0	-108.08	349.84	4.84	-103.24
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000511544	0	44	-2.0	-111.78	366.01	4.29	-107.49
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000511545	0	40	-2.0	-100.80	351.30	5.14	-95.66
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000511546	0	46	-2.0	-112.08	375.52	6.94	-105.14
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000511547	0	37	-2.0	-105.13	334.85	4.53	-100.60
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000511548	0	48	-2.0	-110.19	401.55	5.30	-104.89
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000511549	0	44	-2.0	-115.24	370.50	5.56	-109.68
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000511550	0	50	-2.0	-115.01	397.44	8.09	-106.92
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000511551	0	49	-2.0	-112.85	396.14	7.48	-105.37
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000511552	0	46	-2.0	-109.11	372.43	7.17	-101.94
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000511553	0	47	-2.0	-114.84	392.61	6.00	-108.84
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000511554	0	42	-3.0	-185.98	371.47	6.14	-179.84
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000511555	0	47	-2.0	-115.40	386.42	7.34	-108.06
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000511556	0	40	-2.0	-104.44	347.01	4.55	-99.89
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000511557	0	46	-2.0	-114.51	385.36	5.26	-109.25
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000511558	0	44	-2.0	-110.83	371.11	4.51	-106.32
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000511559	0	48	-2.0	-96.28	396.70	6.19	-90.09
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000511560	0	40	-2.0	-102.85	359.81	6.03	-96.82
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000511561	0	47	-2.0	-95.70	394.34	6.48	-89.22
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000511562	0	43	-2.0	-101.82	362.95	6.26	-95.56
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000511563	0	44	-2.0	-94.65	380.36	5.93	-88.72
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(CC)N(C)N=C2CC)C=C1C(=O)[O-]	REAL300000511564	0	47	-2.0	-116.63	392.34	6.46	-110.17
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000511565	0	40	-2.0	-107.43	351.89	5.34	-102.09
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000511566	0	40	-2.0	-95.09	355.26	6.01	-89.08
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000511567	0	40	-2.0	-97.00	347.74	5.53	-91.47
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000511568	0	37	-2.0	-99.49	334.44	4.58	-94.91
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000511569	0	40	-2.0	-100.44	349.61	5.55	-94.89
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000511570	0	43	-2.0	-108.95	367.95	6.15	-102.80
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000511571	0	40	-2.0	-96.92	347.63	5.52	-91.40
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000511572	0	40	-2.0	-94.98	355.71	5.89	-89.09
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000511573	0	43	-2.0	-103.60	371.70	6.64	-96.96
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000511574	0	48	-2.0	-93.13	406.95	6.90	-86.23
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000511575	0	40	-2.0	-98.75	354.03	5.58	-93.17
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000511576	0	42	-2.0	-94.54	373.32	6.31	-88.23
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000511577	0	41	-2.0	-109.86	351.89	3.14	-106.72
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000511578	0	43	-2.0	-100.99	365.39	6.27	-94.72
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000511579	0	40	-2.0	-100.15	363.92	6.03	-94.12
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000511580	0	43	-2.0	-104.98	353.96	6.24	-98.74
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000511581	0	43	-2.0	-109.11	368.02	6.15	-102.96
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000511582	0	43	-2.0	-97.77	357.65	6.21	-91.56
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000511583	0	46	-2.0	-113.91	382.72	6.83	-107.08
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000511584	0	42	-2.0	-108.74	372.90	6.47	-102.27
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000511585	0	40	-2.0	-99.20	353.94	5.57	-93.63
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000511586	0	46	-2.0	-109.32	378.39	7.02	-102.30
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000511587	0	43	-2.0	-109.06	369.64	6.30	-102.76
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000511588	0	43	-2.0	-107.86	373.96	6.58	-101.28
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000511589	0	43	-2.0	-114.56	367.21	6.13	-108.43
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000511590	0	46	-2.0	-110.67	379.93	6.84	-103.83
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000511591	0	47	-2.0	-110.50	393.67	5.63	-104.87
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000511592	0	43	-2.0	-98.57	370.57	6.77	-91.80
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000511593	0	43	-2.0	-107.88	374.41	6.45	-101.43
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000511594	0	44	-2.0	-109.42	371.15	5.70	-103.72
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000511595	0	52	-2.0	-108.31	409.78	8.49	-99.82
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000511596	0	43	-2.0	-102.49	375.16	6.60	-95.89
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000511597	0	49	-2.0	-105.85	390.74	7.64	-98.21
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000511598	0	43	-2.0	-98.92	365.13	6.25	-92.67
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000511599	0	45	-2.0	-100.17	387.33	7.67	-92.50
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000511600	0	43	-2.0	-108.79	361.76	6.29	-102.50
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000511601	0	42	-2.0	-116.15	365.94	7.27	-108.88
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000511602	0	40	-2.0	-113.50	345.81	5.47	-108.03
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000511603	0	43	-2.0	-100.87	366.51	6.20	-94.67
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000511604	0	46	-2.0	-116.97	384.85	7.79	-109.18
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000511605	0	39	-2.0	-107.94	339.17	3.51	-104.43
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000511606	0	44	-2.0	-101.70	370.38	5.23	-96.47
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000511607	0	37	-2.0	-97.66	344.43	4.65	-93.01
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000511608	0	47	-2.0	-103.55	391.31	7.51	-96.04
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000511609	0	47	-2.0	-106.07	387.30	7.36	-98.71
CCC1=NN(C)C(CC)=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000511610	0	43	-2.0	-104.20	364.50	5.54	-98.66
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(Cl)C=C2F)=C1	REAL300000511613	0	30	-2.0	-96.58	316.28	4.66	-91.92
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000511614	0	45	-2.0	-91.17	387.86	6.07	-85.10
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000511615	0	38	-2.0	-108.83	335.96	7.52	-101.31
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000511616	0	46	-2.0	-108.73	391.03	8.47	-100.26
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000511617	0	38	-2.0	-98.76	331.38	7.49	-91.27
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000511618	0	38	-2.0	-111.42	331.42	7.49	-103.93
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000511619	0	42	-2.0	-116.76	359.56	7.18	-109.58
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000511620	0	42	-2.0	-97.42	362.85	8.78	-88.64
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000511621	0	41	-2.0	-112.97	347.43	8.02	-104.95
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000511622	0	38	-2.0	-106.64	344.48	8.05	-98.59
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000511623	0	38	-2.0	-107.45	343.93	7.88	-99.57
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000511624	0	44	-2.0	-114.36	364.08	8.84	-105.52
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000511625	0	38	-2.0	-108.91	336.89	7.56	-101.35
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000511626	0	44	-2.0	-96.75	374.97	9.08	-87.67
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000511627	0	35	-2.0	-105.96	324.60	6.55	-99.41
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000511628	0	41	-2.0	-112.01	346.85	8.24	-103.77
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000511629	0	42	-2.0	-96.13	362.47	7.77	-88.36
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000511630	0	39	-2.0	-109.77	338.06	6.87	-102.90
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000511631	0	42	-2.0	-112.31	355.62	6.27	-106.04
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000511632	0	38	-2.0	-102.13	340.55	7.21	-94.92
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000511633	0	44	-2.0	-113.67	362.47	8.82	-104.85
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000511634	0	35	-2.0	-107.13	323.06	6.55	-100.58
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000511635	0	46	-2.0	-112.22	389.76	7.30	-104.92
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000511636	0	42	-2.0	-117.40	358.71	7.55	-109.85
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000511637	0	48	-2.0	-116.34	386.66	10.10	-106.24
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000511638	0	47	-2.0	-113.89	383.56	9.43	-104.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(CC)C=CC=C1OC	REAL300000511639	0	44	-2.0	-109.68	351.99	8.89	-100.79
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000511640	0	45	-2.0	-116.17	381.84	7.95	-108.22
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000511641	0	40	-3.0	-189.64	359.82	8.07	-181.57
CCC1=CC=CC(OC)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000511641	1	41	-2.0	-110.59	357.82	7.22	-103.37
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000511642	0	45	-2.0	-116.75	375.66	9.39	-107.36
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000511643	0	38	-2.0	-105.41	334.42	6.64	-98.77
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000511644	0	44	-2.0	-116.80	373.58	7.28	-109.52
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000511645	0	42	-2.0	-112.23	360.33	6.47	-105.76
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000511646	0	46	-2.0	-97.66	385.04	8.11	-89.55
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000511647	0	38	-2.0	-103.33	349.00	8.07	-95.26
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000511648	0	42	-2.0	-94.63	378.52	8.31	-86.32
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000511649	0	45	-2.0	-96.73	382.57	8.48	-88.25
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000511650	0	41	-2.0	-102.65	352.12	8.27	-94.38
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000511651	0	42	-2.0	-95.59	368.72	7.83	-87.76
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(CC)C=CC=C2OC)C=C1C(=O)[O-]	REAL300000511652	0	45	-2.0	-118.34	380.56	8.46	-109.88
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000511653	0	38	-2.0	-108.31	341.11	7.37	-100.94
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000511654	0	38	-2.0	-95.83	344.47	8.04	-87.79
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000511655	0	38	-2.0	-98.19	335.95	7.53	-90.66
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000511656	0	35	-2.0	-100.80	323.69	6.66	-94.14
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000511657	0	38	-2.0	-102.35	337.83	7.55	-94.80
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000511658	0	41	-2.0	-110.59	357.19	8.20	-102.39
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000511659	0	42	-2.0	-100.62	371.72	8.11	-92.51
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000511660	0	38	-2.0	-98.35	336.88	7.57	-90.78
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000511661	0	38	-2.0	-96.30	343.92	7.89	-88.41
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000511662	0	41	-2.0	-104.36	360.86	8.66	-95.70
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000511663	0	46	-2.0	-93.90	395.16	8.90	-85.00
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000511664	0	38	-2.0	-100.27	342.24	7.58	-92.69
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000511665	0	40	-2.0	-96.41	359.61	8.17	-88.24
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000511666	0	39	-2.0	-110.79	341.13	5.10	-105.69
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000511667	0	41	-2.0	-102.38	353.57	8.27	-94.11
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000511668	0	38	-2.0	-101.79	352.13	8.02	-93.77
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000511669	0	41	-2.0	-108.10	345.24	8.19	-99.91
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000511670	0	41	-2.0	-110.56	356.25	8.14	-102.42
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000511671	0	41	-2.0	-98.64	346.83	8.23	-90.41
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000511672	0	44	-2.0	-116.15	368.91	8.69	-107.46
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000511673	0	40	-2.0	-109.41	357.97	8.58	-100.83
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000511674	0	38	-2.0	-100.67	343.17	7.62	-93.05
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000511675	0	44	-2.0	-111.63	364.82	8.89	-102.74
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000511676	0	41	-2.0	-111.34	356.73	8.19	-103.15
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000511677	0	41	-2.0	-108.62	363.16	8.61	-100.01
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000511678	0	41	-2.0	-116.62	356.45	8.18	-108.44
CCC1=CC=C(S(=O)(=O)[N-]C2=C(CC)C=CC=C2OC)C=C1C(=O)[O-]	REAL300000511679	0	44	-2.0	-113.74	365.38	8.67	-105.07
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000511680	0	45	-2.0	-113.65	381.89	7.62	-106.03
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000511681	0	41	-2.0	-100.59	357.67	8.67	-91.92
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000511682	0	41	-2.0	-109.45	362.63	8.45	-101.00
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000511683	0	42	-2.0	-111.18	359.44	7.74	-103.44
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000511684	0	41	-2.0	-105.17	361.29	8.45	-96.72
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000511685	0	47	-2.0	-106.95	376.56	9.44	-97.51
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000511686	0	42	-2.0	-112.32	371.74	8.11	-104.21
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000511687	0	41	-2.0	-99.06	347.42	8.03	-91.03
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000511688	0	43	-2.0	-101.91	371.77	9.37	-92.54
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000511689	0	41	-2.0	-109.58	350.95	8.32	-101.26
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000511690	0	40	-2.0	-117.09	352.10	9.09	-108.00
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000511691	0	38	-2.0	-115.52	335.07	7.52	-108.00
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000511692	0	41	-2.0	-103.42	352.59	8.06	-95.36
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000511693	0	44	-2.0	-120.29	372.46	9.62	-110.67
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000511694	0	37	-2.0	-108.90	328.40	5.58	-103.32
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000511695	0	42	-2.0	-102.91	359.62	7.18	-95.73
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000511696	0	35	-2.0	-99.37	331.56	6.49	-92.88
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000511697	0	45	-2.0	-105.20	377.53	9.37	-95.83
CCC1=CC=CC(OC)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000511698	0	45	-2.0	-107.96	376.86	9.38	-98.58
CCC1=C(S(=O)(=O)[N-]C2=C(OC)C=CC=C2CC)C=C(C(=O)[O-])O1	REAL300000511699	0	41	-2.0	-104.88	349.05	7.36	-97.52
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000511700	0	42	-2.0	-91.40	379.63	3.92	-87.48
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000511701	0	35	-2.0	-108.25	327.71	5.36	-102.89
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000511702	0	43	-2.0	-109.40	382.79	6.43	-102.97
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000511703	0	35	-2.0	-98.13	323.15	5.34	-92.79
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000511704	0	35	-2.0	-111.02	323.17	5.34	-105.68
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000511705	0	39	-2.0	-116.74	351.31	5.14	-111.60
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000511706	0	39	-2.0	-97.52	354.62	6.63	-90.89
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000511707	0	38	-2.0	-112.29	339.19	5.86	-106.43
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000511708	0	35	-2.0	-106.54	336.24	5.90	-100.64
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000511709	0	35	-2.0	-106.70	335.69	5.72	-100.98
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000511710	0	41	-2.0	-114.20	355.84	6.67	-107.53
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000511711	0	35	-2.0	-108.48	328.64	5.39	-103.09
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000511712	0	41	-2.0	-96.99	366.75	6.92	-90.07
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000511713	0	32	-2.0	-105.13	316.36	4.36	-100.77
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000511714	0	38	-2.0	-111.94	338.60	6.11	-105.83
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000511715	0	39	-2.0	-96.29	354.24	5.62	-90.67
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000511716	0	36	-2.0	-109.26	329.82	4.69	-104.57
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000511717	0	39	-2.0	-112.55	346.95	4.18	-108.37
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000511718	0	35	-2.0	-101.27	332.28	5.01	-96.26
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000511719	0	41	-2.0	-113.30	354.63	6.65	-106.65
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000511720	0	32	-2.0	-106.55	314.82	4.37	-102.18
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000511721	0	43	-2.0	-111.32	381.51	5.15	-106.17
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000511722	0	39	-2.0	-116.89	350.46	5.41	-111.48
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000511723	0	45	-2.0	-116.07	378.40	7.97	-108.10
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000511724	0	44	-2.0	-114.19	377.08	7.35	-106.84
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000511725	0	41	-2.0	-109.93	353.29	7.06	-102.87
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000511726	0	42	-2.0	-117.16	373.60	5.90	-111.26
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000511727	0	37	-3.0	-186.97	351.57	5.90	-181.07
CCOC1=CC=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000511727	1	38	-2.0	-110.64	351.61	5.85	-104.79
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000511728	0	42	-2.0	-116.42	367.42	7.24	-109.18
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000511729	0	35	-2.0	-104.69	326.18	4.49	-100.20
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000511730	0	41	-2.0	-115.85	365.34	5.11	-110.74
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000511731	0	39	-2.0	-111.77	352.09	4.43	-107.34
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000511732	0	43	-2.0	-96.97	376.10	5.94	-91.03
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000511733	0	35	-2.0	-102.99	340.76	5.94	-97.05
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000511734	0	42	-2.0	-96.76	374.33	6.32	-90.44
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000511735	0	38	-2.0	-102.29	343.88	6.15	-96.14
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000511736	0	39	-2.0	-95.56	360.47	5.68	-89.88
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000511737	0	42	-2.0	-117.49	372.32	6.32	-111.17
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000511738	0	35	-2.0	-108.04	332.86	5.21	-102.83
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000511739	0	35	-2.0	-95.50	336.22	5.91	-89.59
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000511740	0	35	-2.0	-97.50	327.69	5.38	-92.12
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000511741	0	32	-2.0	-99.97	315.42	4.47	-95.50
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000511742	0	35	-2.0	-101.73	329.59	5.40	-96.33
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000511743	0	38	-2.0	-110.01	348.91	6.03	-103.98
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000511744	0	35	-2.0	-97.63	328.63	5.41	-92.22
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000511745	0	35	-2.0	-95.65	335.67	5.73	-89.92
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000511746	0	38	-2.0	-104.02	352.61	6.53	-97.49
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000511747	0	43	-2.0	-94.19	386.90	6.74	-87.45
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000511748	0	35	-2.0	-99.62	334.00	5.42	-94.20
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000511749	0	37	-2.0	-95.76	351.37	6.00	-89.76
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000511750	0	36	-2.0	-110.63	332.89	3.03	-107.60
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000511751	0	38	-2.0	-102.11	345.36	6.12	-95.99
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000511752	0	35	-2.0	-101.13	343.88	5.87	-95.26
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000511753	0	38	-2.0	-106.95	333.21	5.97	-100.98
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000511754	0	38	-2.0	-109.67	348.01	5.98	-103.69
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000511755	0	38	-2.0	-98.16	338.58	6.11	-92.05
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000511756	0	41	-2.0	-114.23	356.63	6.41	-107.82
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000511757	0	37	-2.0	-108.82	349.75	6.42	-102.40
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000511758	0	35	-2.0	-99.95	334.90	5.47	-94.48
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000511759	0	41	-2.0	-111.41	356.70	6.74	-104.67
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000511760	0	38	-2.0	-110.87	348.49	6.03	-104.84
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000511761	0	38	-2.0	-108.39	354.95	6.48	-101.91
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000511762	0	38	-2.0	-115.84	348.20	6.02	-109.82
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000511763	0	41	-2.0	-113.03	357.49	6.52	-106.51
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000511764	0	42	-2.0	-112.73	373.64	5.46	-107.27
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000511765	0	38	-2.0	-100.16	349.43	6.53	-93.63
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000511766	0	38	-2.0	-108.56	354.40	6.29	-102.27
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000511767	0	39	-2.0	-110.52	351.11	5.55	-104.97
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000511768	0	47	-2.0	-111.17	388.32	8.21	-102.96
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000511769	0	38	-2.0	-105.40	356.94	6.40	-99.00
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000511770	0	38	-2.0	-98.32	339.18	5.87	-92.45
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000511771	0	40	-2.0	-102.76	366.42	7.53	-95.23
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000511772	0	38	-2.0	-109.39	342.71	6.18	-103.21
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000511773	0	37	-2.0	-118.00	346.90	7.19	-110.81
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000511774	0	35	-2.0	-115.00	326.80	5.37	-109.63
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000511775	0	38	-2.0	-103.57	348.13	6.01	-97.56
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000511776	0	41	-2.0	-119.50	364.21	7.46	-112.04
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000511777	0	34	-2.0	-108.38	320.14	3.40	-104.98
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000511778	0	39	-2.0	-102.48	351.37	5.13	-97.35
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000511779	0	32	-2.0	-98.50	323.27	4.31	-94.19
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000511780	0	42	-2.0	-104.89	369.30	7.23	-97.66
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000511781	0	42	-2.0	-107.63	367.26	7.20	-100.43
CCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000511782	0	38	-2.0	-104.47	345.29	5.33	-99.14
O=C([O-])C1=CC(S(=O)(=O)N2CCC(O)C3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000511816	0	39	-2.0	-112.61	337.94	4.88	-107.73
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC(O)C3=CC=CC=C32)=C1	REAL300000511839	0	37	-2.0	-112.52	316.54	2.96	-109.56
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N(CC2CCCCC2)C2=CC=CC=C2)=C1	REAL300000511890	0	48	-2.0	-114.79	376.51	9.18	-105.61
COC1=CC=C2C(=C1)CC(C)N2S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000511923	0	42	-2.0	-111.23	366.86	7.63	-103.60
COC1=CC=C2C(=C1)CC(C)N2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000511943	0	40	-2.0	-110.83	339.99	5.56	-105.27
O=C([O-])C1=CC(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=CC=C1F	REAL300000511974	1	29	-2.0	-118.27	309.03	3.98	-114.29
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1	REAL300000511975	1	29	-2.0	-94.08	304.42	3.97	-90.11
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=C1	REAL300000511976	1	29	-2.0	-90.40	304.55	3.95	-86.45
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC([O-])=C(Cl)C=C1Cl	REAL300000511977	1	33	-2.0	-91.92	331.15	3.75	-88.17
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1	REAL300000511978	1	33	-2.0	-95.48	335.96	5.26	-90.22
CC1=CC=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000511979	1	32	-2.0	-90.09	320.55	4.48	-85.61
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=C1	REAL300000511980	1	29	-2.0	-108.75	316.53	4.14	-104.61
O=C([O-])C1=CC(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=CC=C1Cl	REAL300000511981	1	29	-2.0	-115.09	317.01	4.34	-110.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=C1C	REAL300000511982	1	35	-2.0	-120.57	335.39	4.90	-115.67
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=C1	REAL300000511983	1	29	-2.0	-89.72	308.81	3.66	-86.06
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1	REAL300000511984	1	35	-2.0	-91.48	348.08	5.55	-85.93
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC([O-])=C(Cl)C=C1Cl	REAL300000511986	1	32	-2.0	-115.85	320.91	4.81	-111.04
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1	REAL300000511987	1	33	-2.0	-92.02	335.50	4.24	-87.78
CN1C=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000511988	1	30	-2.0	-90.71	312.81	3.36	-87.35
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC([O-])=C(Cl)C=C1Cl	REAL300000511989	1	33	-2.0	-117.33	329.69	2.85	-114.48
CC1=CC(C)=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000511991	1	35	-2.0	-117.25	337.12	5.35	-111.90
O=C([O-])C1=CC(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=CS1	REAL300000511992	1	26	-2.0	-112.10	297.48	3.02	-109.08
COC1=CC=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000511993	1	33	-2.0	-125.04	331.75	4.02	-121.02
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC([O-])=C(Cl)C=C1Cl	REAL300000511994	1	35	-2.0	-118.04	333.05	5.10	-112.94
CC1=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C(C(=O)[O-])O1	REAL300000511995	1	29	-2.0	-112.45	306.54	2.72	-109.73
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=C1	REAL300000511996	1	33	-2.0	-97.35	332.04	2.64	-94.71
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC([O-])=C(Cl)C=C1Cl	REAL300000511997	1	32	-2.0	-106.74	326.24	4.84	-101.90
CC1=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C(C(=O)[O-])S1	REAL300000511998	1	29	-2.0	-115.44	312.98	3.46	-111.98
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C(Cl)=C1	REAL300000511999	1	29	-2.0	-94.22	316.50	4.13	-90.09
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1F	REAL300000512000	1	29	-2.0	-97.49	308.98	3.99	-93.50
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=C1	REAL300000512002	1	29	-2.0	-108.51	310.95	4.02	-104.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=C1F	REAL300000512003	1	32	-2.0	-90.28	329.05	4.27	-86.01
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C(F)=C1	REAL300000512004	1	29	-2.0	-91.58	308.73	3.66	-87.92
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1Cl	REAL300000512005	1	29	-2.0	-93.35	316.95	4.34	-89.01
O=C([O-])C1=CC(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=CC(F)=C1F	REAL300000512006	1	29	-2.0	-87.15	315.35	4.04	-83.11
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1	REAL300000512008	1	32	-2.0	-93.88	326.69	4.75	-89.13
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC([O-])=C(Cl)C=C1Cl	REAL300000512009	1	32	-2.0	-91.15	315.43	4.69	-86.46
CC1=CC(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=CC(C(=O)[O-])=C1F	REAL300000512010	1	32	-2.0	-118.93	329.37	4.60	-114.33
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC([O-])=C(Cl)C=C1Cl	REAL300000512011	1	32	-2.0	-96.01	320.91	4.81	-91.20
CC1=CC(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=CC(C(=O)[O-])=C1C	REAL300000512012	1	35	-2.0	-91.15	337.39	5.02	-86.13
CC1=CC=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C(C)=C1C(=O)[O-]	REAL300000512014	1	35	-2.0	-95.03	339.36	5.41	-89.62
CC1=CC(F)=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000512015	1	32	-2.0	-91.40	328.50	4.29	-87.11
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=C1	REAL300000512016	1	32	-2.0	-112.31	328.36	4.27	-108.04
CCC1=CC=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000512017	1	35	-2.0	-119.40	338.37	5.13	-114.27
CCN1C=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000512018	1	33	-2.0	-91.38	334.19	4.21	-87.17
CC1=CC(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000512019	1	32	-2.0	-92.00	320.51	4.48	-87.52
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC([O-])=C(Cl)C=C1Cl	REAL300000512020	1	32	-2.0	-118.94	322.46	4.38	-114.56
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)=C1F	REAL300000512021	1	29	-2.0	-112.22	306.97	3.60	-108.62
CC1=C(F)C=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000512022	1	32	-2.0	-86.43	326.19	4.53	-81.90
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC([O-])=C(Cl)C=C2Cl)=C1	REAL300000512023	0	27	-3.0	-184.29	302.09	2.07	-182.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC([O-])=C(Cl)C=C1Cl	REAL300000512024	1	33	-2.0	-89.64	331.15	3.77	-85.87
CCC1=C(S(=O)(=O)NC2=CC([O-])=C(Cl)C=C2Cl)C=C(C(=O)[O-])O1	REAL300000512026	1	32	-2.0	-112.14	327.40	3.49	-108.65
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)=C1	REAL300000512039	1	29	-2.0	-104.00	298.12	2.79	-101.21
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)=C1	REAL300000512041	1	26	-2.0	-101.28	285.84	1.75	-99.53
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)=C1	REAL300000512046	1	29	-2.0	-96.92	301.76	2.41	-94.51
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(O)=CC=C2Cl)=C1	REAL300000512055	0	32	-2.0	-104.54	320.49	3.21	-101.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)S1	REAL300000512073	1	26	-2.0	-95.76	284.92	1.85	-93.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)=C1F	REAL300000512075	1	32	-2.0	-105.24	318.41	3.43	-101.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)C(F)=C1	REAL300000512077	1	29	-2.0	-93.41	298.12	2.79	-90.62
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(O)=CC=C2Cl)=C1	REAL300000512083	0	30	-2.0	-107.58	297.29	0.78	-106.80
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)=C1	REAL300000512091	1	29	-2.0	-95.64	304.41	2.85	-92.79
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000512093	1	32	-2.0	-106.36	317.89	3.41	-102.95
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)=C1	REAL300000512095	1	32	-2.0	-110.62	317.70	3.41	-107.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)=C(F)C(Cl)=C1F	REAL300000512103	1	29	-2.0	-94.51	318.27	3.28	-91.23
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)C([N+](=O)[O-])=C1	REAL300000512108	1	34	-2.0	-97.84	333.43	4.86	-92.98
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)=C1[N+](=O)[O-]	REAL300000512110	1	31	-2.0	-112.53	316.38	4.57	-107.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)=C1F	REAL300000512111	1	29	-2.0	-109.93	296.28	2.75	-107.18
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)=C1	REAL300000512114	0	28	-2.0	-103.72	289.63	0.77	-102.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2Cl)=C(Cl)O1	REAL300000512116	1	26	-2.0	-94.40	292.76	1.69	-92.71
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC=C2Br)=C1	REAL300000512125	1	29	-2.0	-103.47	302.48	2.91	-100.56
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(O)=CC=C2Br)=C1	REAL300000512126	1	26	-2.0	-100.79	290.21	1.87	-98.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(O)=CC=C2Br)=C1	REAL300000512129	1	29	-2.0	-96.41	306.13	2.53	-93.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2Br)S1	REAL300000512134	1	26	-2.0	-95.30	289.28	1.98	-93.32
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(O)=CC=C2Br)=C1	REAL300000512137	0	30	-2.0	-107.04	304.04	1.39	-105.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2Br)=C1F	REAL300000512143	1	29	-2.0	-109.22	300.65	2.88	-106.34
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(O)=CC=C2Br)=C1	REAL300000512144	0	28	-2.0	-103.24	293.99	0.90	-102.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2Br)=C(Cl)O1	REAL300000512145	1	26	-2.0	-93.92	297.12	1.81	-92.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)=CC=C1F	REAL300000512147	1	35	-2.0	-103.95	338.00	3.68	-100.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)C=C1	REAL300000512148	1	35	-2.0	-93.93	333.73	3.70	-90.23
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)=C1	REAL300000512149	1	35	-2.0	-105.86	333.46	3.63	-102.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000512150	1	38	-2.0	-107.54	349.48	4.18	-103.36
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)=C1	REAL300000512151	0	35	-2.0	-103.21	338.94	3.70	-99.51
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)=C1	REAL300000512152	0	32	-2.0	-100.31	326.64	2.66	-97.65
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(O)C(F)(F)F)=C1	REAL300000512153	1	38	-2.0	-106.78	348.89	4.43	-102.35
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000512154	0	36	-2.0	-104.33	340.11	2.99	-101.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)=C1	REAL300000512155	0	35	-2.0	-96.77	342.57	3.32	-93.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)=CS1	REAL300000512156	0	32	-2.0	-101.71	325.11	2.68	-99.03
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000512157	0	35	-2.0	-99.98	336.47	2.78	-97.20
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000512158	1	35	-2.0	-103.15	343.15	3.53	-99.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)C=C1F	REAL300000512159	1	35	-2.0	-93.25	337.98	3.68	-89.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)S1	REAL300000512160	0	32	-2.0	-95.58	325.73	2.77	-92.81
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)=C1	REAL300000512161	1	35	-2.0	-96.86	339.87	3.71	-93.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)C(F)=C1	REAL300000512162	0	35	-2.0	-93.27	338.93	3.72	-89.55
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)=C1	REAL300000512163	0	36	-2.0	-105.75	343.16	1.35	-104.40
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(O)C(F)(F)F)=C2)=C1	REAL300000512163	1	36	-2.0	-104.35	342.26	2.23	-102.12
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)C=C1	REAL300000512164	1	38	-2.0	-97.44	355.93	4.46	-92.98
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(O)C(F)(F)F)=C1	REAL300000512165	1	38	-2.0	-102.48	343.53	4.28	-98.20
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000512167	0	39	-2.0	-106.04	361.59	3.86	-102.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000512168	1	38	-2.0	-93.92	349.47	4.19	-89.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)=C1F	REAL300000512169	0	35	-2.0	-110.45	337.12	3.68	-106.77
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)=C1	REAL300000512170	0	34	-2.0	-103.25	330.44	1.70	-101.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)=C(Cl)O1	REAL300000512171	0	32	-2.0	-93.95	333.61	2.62	-91.33
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(O)C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000512172	0	38	-2.0	-99.85	355.59	3.63	-96.22
COC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000512173	0	42	-2.0	-99.16	378.54	5.94	-93.22
COC1=CC=CC=C1C1=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1	REAL300000512173	1	42	-2.0	-107.40	381.75	5.93	-101.47
COC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000512174	0	42	-2.0	-111.24	378.62	5.93	-105.31
COC1=CC=CC=C1C1=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1	REAL300000512174	1	42	-2.0	-120.71	381.77	5.92	-114.79
COC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000512175	0	39	-2.0	-105.91	371.64	4.95	-100.96
COC1=CC=CC=C1C1=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1	REAL300000512175	1	39	-2.0	-114.50	371.94	4.95	-109.55
COC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000512176	0	43	-2.0	-110.03	385.19	5.27	-104.76
COC1=CC=CC=C1C1=C(C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1	REAL300000512176	1	43	-2.0	-118.89	388.41	5.27	-113.62
COC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000512177	0	39	-2.0	-107.42	370.20	4.97	-102.45
COC1=CC=CC=C1C1=C(C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1	REAL300000512177	1	39	-2.0	-116.01	373.41	4.95	-111.06
COC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1C	REAL300000512178	0	42	-2.0	-105.36	381.46	5.07	-100.29
COC1=CC=CC=C1C1=C(C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1	REAL300000512178	1	42	-2.0	-113.85	384.75	5.06	-108.79
COC1=CC=CC=C1C1=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1	REAL300000512179	0	39	-2.0	-109.15	374.00	5.05	-104.10
COC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000512179	1	39	-2.0	-100.56	370.71	5.06	-95.50
COC1=CC=CC=C1C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000512180	0	41	-2.0	-108.43	375.43	3.98	-104.45
COC1=CC=CC=C1C1=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1	REAL300000512180	1	41	-2.0	-118.48	375.00	4.05	-114.43
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2Cl)=C1	REAL300000512195	1	28	-2.0	-102.63	287.12	5.64	-96.99
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2Cl)=C1	REAL300000512197	1	25	-2.0	-100.15	274.84	4.60	-95.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2Cl)=C1	REAL300000512204	1	28	-2.0	-96.24	290.78	5.25	-90.99
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300000512213	0	31	-2.0	-105.93	309.46	6.06	-99.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2Cl)S1	REAL300000512233	1	25	-2.0	-95.06	273.91	4.69	-90.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2Cl)=C1F	REAL300000512235	1	31	-2.0	-103.93	307.39	6.27	-97.66
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2Cl)=C1	REAL300000512244	0	29	-2.0	-103.84	285.74	4.12	-99.72
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2Cl)=C1	REAL300000512252	1	28	-2.0	-94.52	293.38	5.70	-88.82
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=CC=C2Cl)S1	REAL300000512253	1	25	-2.0	-93.18	294.23	5.26	-87.92
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2Cl)=C1	REAL300000512257	1	31	-2.0	-110.60	306.66	6.27	-104.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2Cl)=C(F)C(Cl)=C1F	REAL300000512266	1	28	-2.0	-93.34	307.26	6.13	-87.21
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2Cl)C([N+](=O)[O-])=C1	REAL300000512272	1	33	-2.0	-97.24	324.90	7.76	-89.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2Cl)=C1[N+](=O)[O-]	REAL300000512274	1	30	-2.0	-112.52	305.39	7.43	-105.09
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2Cl)=C1F	REAL300000512275	1	28	-2.0	-109.87	285.29	5.60	-104.27
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2Cl)=C1	REAL300000512278	0	27	-2.0	-103.43	277.86	3.69	-99.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2Cl)=C(Cl)O1	REAL300000512280	1	25	-2.0	-93.65	281.75	4.54	-89.11
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2Cl)=C1	REAL300000512282	1	31	-2.0	-97.03	324.97	2.60	-94.43
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1	REAL300000512286	0	32	-2.0	-92.75	323.18	1.53	-91.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC=C1F	REAL300000512287	1	25	-2.0	-108.89	271.25	2.97	-105.92
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512288	0	33	-2.0	-109.92	326.32	4.05	-105.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1	REAL300000512289	1	25	-2.0	-98.97	266.69	2.95	-96.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512290	1	25	-2.0	-111.32	266.71	2.94	-108.38
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512291	0	29	-2.0	-116.80	294.84	2.75	-114.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC=C1Br	REAL300000512292	1	25	-2.0	-106.75	282.96	3.43	-103.32
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1	REAL300000512293	1	29	-2.0	-98.49	298.17	4.24	-94.25
CC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1C(=O)[O-]	REAL300000512294	1	28	-2.0	-112.50	282.73	3.47	-109.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1C	REAL300000512295	1	31	-2.0	-114.28	299.38	4.29	-109.99
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512296	0	25	-2.0	-108.65	272.18	3.00	-105.65
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1	REAL300000512297	1	31	-2.0	-97.88	310.27	4.53	-93.35
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512298	0	22	-2.0	-105.56	259.89	1.96	-103.60
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512299	1	28	-2.0	-112.30	282.14	3.72	-108.58
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1	REAL300000512300	1	29	-2.0	-97.19	297.79	3.23	-93.96
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=NNC=C3Cl)C=C2)C1	REAL300000512301	1	36	-2.0	-94.06	343.55	4.00	-90.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C(Br)S1	REAL300000512302	0	22	-2.0	-102.39	276.89	2.72	-99.67
CN1C=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1C(=O)[O-]	REAL300000512303	0	26	-2.0	-109.79	273.36	2.29	-107.50
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512304	1	29	-2.0	-112.98	290.50	1.78	-111.20
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512305	0	25	-2.0	-101.83	275.82	2.63	-99.20
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1C(=O)[O-]	REAL300000512306	1	31	-2.0	-113.41	298.16	4.26	-109.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CS1	REAL300000512307	0	22	-2.0	-106.92	258.37	1.96	-104.96
COC1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC(C(=O)[O-])=C1OC	REAL300000512308	1	33	-2.0	-111.66	325.03	2.75	-108.91
COC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1C(=O)[O-]	REAL300000512309	1	29	-2.0	-117.12	294.00	3.01	-114.11
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512310	1	35	-2.0	-116.01	321.94	5.57	-110.44
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512311	1	34	-2.0	-114.31	320.61	4.94	-109.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512312	1	31	-2.0	-110.47	296.84	4.65	-105.82
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512313	0	32	-2.0	-117.28	317.13	3.51	-113.77
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=NNC=C2Cl)=C1	REAL300000512314	0	28	-2.0	-112.32	293.87	3.55	-108.77
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512314	1	27	-3.0	-185.94	295.11	3.50	-182.44
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512315	1	32	-2.0	-116.30	310.97	4.83	-111.47
CC1=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C(C(=O)[O-])O1	REAL300000512316	0	25	-2.0	-105.28	269.71	2.09	-103.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC2=C1OCCO2	REAL300000512317	1	31	-2.0	-116.23	308.88	2.71	-113.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512318	0	29	-2.0	-112.22	295.63	2.04	-110.18
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NNC=C3Cl)C=C2C1	REAL300000512319	1	33	-2.0	-98.60	320.35	3.56	-95.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC(Cl)=C1Cl	REAL300000512320	1	25	-2.0	-101.00	294.38	3.79	-97.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1Cl	REAL300000512321	1	29	-2.0	-95.75	313.81	3.76	-91.99
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC=C1OCC(=O)[O-]	REAL300000512322	1	32	-2.0	-97.79	317.87	3.93	-93.86
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1F	REAL300000512323	1	35	-2.0	-96.71	346.45	4.19	-92.52
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512324	1	28	-2.0	-102.96	287.41	3.76	-99.20
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC=C1OCCCC(=O)[O-]	REAL300000512325	1	38	-2.0	-97.99	360.30	4.86	-93.13
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1F	REAL300000512326	1	29	-2.0	-96.69	304.00	3.29	-93.40
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1Cl	REAL300000512327	1	35	-2.0	-96.35	356.25	4.68	-91.67
CCOC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1C(=O)[O-]	REAL300000512328	1	32	-2.0	-117.87	315.84	3.92	-113.95
CC1=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C(C(=O)[O-])S1	REAL300000512329	0	25	-2.0	-108.55	276.40	2.82	-105.73
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512330	0	25	-2.0	-100.83	294.93	3.95	-96.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C(Cl)=C1	REAL300000512331	0	25	-2.0	-96.51	279.76	3.49	-93.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C(Br)=C1	REAL300000512332	0	25	-2.0	-96.00	283.11	3.64	-92.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1F	REAL300000512333	1	25	-2.0	-98.52	271.24	2.98	-95.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)S1	REAL300000512334	0	22	-2.0	-100.41	258.96	2.07	-98.34
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512335	0	25	-2.0	-102.28	273.11	3.01	-99.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1F	REAL300000512336	0	28	-2.0	-110.04	292.47	3.64	-106.40
COC1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C(Cl)C=C1C(=O)[O-]	REAL300000512337	0	29	-2.0	-101.16	307.01	3.55	-97.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C(F)=C1	REAL300000512338	0	25	-2.0	-98.30	272.17	3.01	-95.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1Cl	REAL300000512339	1	25	-2.0	-96.56	279.21	3.34	-93.22
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512340	1	28	-2.0	-104.63	296.15	4.14	-100.49
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512341	1	28	-2.0	-101.26	297.54	4.23	-97.03
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1	REAL300000512342	0	33	-2.0	-95.54	330.45	4.35	-91.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1Br	REAL300000512343	1	25	-2.0	-96.12	282.95	3.44	-92.68
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512344	0	27	-2.0	-96.51	294.90	3.61	-92.90
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512345	0	26	-2.0	-111.09	276.42	0.67	-110.42
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=NNC=C2Cl)=C1	REAL300000512345	1	26	-2.0	-111.18	274.77	1.43	-109.75
CC1=C(Br)C=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1C(=O)[O-]	REAL300000512346	1	28	-2.0	-105.27	300.60	4.00	-101.27
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1	REAL300000512347	1	28	-2.0	-102.37	288.87	3.73	-98.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC(Cl)=C1F	REAL300000512348	1	25	-2.0	-101.96	287.41	3.47	-98.49
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512349	1	28	-2.0	-107.47	276.78	3.57	-103.90
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512350	1	28	-2.0	-105.14	300.18	4.23	-100.91
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC(C(=O)[O-])=C1F	REAL300000512351	1	28	-2.0	-110.23	291.54	3.59	-106.64
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512352	1	28	-2.0	-99.14	282.12	3.70	-95.44
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC(C(=O)[O-])=C1C	REAL300000512353	1	31	-2.0	-115.74	303.51	4.11	-111.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC=C1[N+](=O)[O-]	REAL300000512354	0	27	-2.0	-109.68	293.26	4.04	-105.64
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512355	0	25	-2.0	-100.30	278.46	3.07	-97.23
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=NNC=C2Cl)S1	REAL300000512356	0	22	-2.0	-98.29	279.29	2.62	-95.67
CC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C(C)=C1C(=O)[O-]	REAL300000512357	1	31	-2.0	-111.53	301.19	4.32	-107.21
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1C(=O)[O-]	REAL300000512358	0	28	-2.0	-110.99	292.03	3.64	-107.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1Cl	REAL300000512359	0	28	-2.0	-108.79	298.47	4.07	-104.72
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512360	0	28	-2.0	-116.04	291.74	3.63	-112.41
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1C(=O)[O-]	REAL300000512361	1	31	-2.0	-113.19	300.64	4.13	-109.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C(Br)C=C1F	REAL300000512362	0	25	-2.0	-103.31	287.65	3.67	-99.64
COC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1CC(=O)[O-]	REAL300000512363	1	32	-2.0	-113.06	317.18	3.07	-109.99
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512364	1	28	-2.0	-100.89	292.97	4.12	-96.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1C(F)(F)F	REAL300000512365	1	28	-2.0	-95.58	296.82	3.75	-91.83
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC(C(=O)[O-])=C1Cl	REAL300000512366	1	28	-2.0	-108.95	297.93	3.90	-105.05
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512367	1	25	-2.0	-104.14	288.00	3.55	-100.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1Br	REAL300000512368	0	28	-2.0	-108.40	301.28	4.21	-104.19
CCN1C=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1C(=O)[O-]	REAL300000512369	0	29	-2.0	-111.04	294.73	3.16	-107.88
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C(C)=C1CC(=O)[O-]	REAL300000512370	1	37	-2.0	-110.56	331.62	5.79	-104.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C(F)C(Cl)=C1F	REAL300000512371	0	25	-2.0	-99.10	292.31	3.50	-95.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C(OC(F)(F)F)=C1	REAL300000512372	0	29	-2.0	-97.97	311.41	3.24	-94.73
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1C(=O)[O-]	REAL300000512373	1	28	-2.0	-104.71	296.58	3.91	-100.80
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1C(=O)[O-]	REAL300000512374	0	29	-2.0	-112.52	307.03	3.56	-108.96
CC1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC=C1C(=O)[O-]	REAL300000512375	1	28	-2.0	-99.10	282.72	3.48	-95.62
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C([N+](=O)[O-])=C1	REAL300000512376	0	30	-2.0	-103.20	309.98	5.14	-98.06
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512377	1	28	-2.0	-109.98	286.24	3.78	-106.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1[N+](=O)[O-]	REAL300000512378	0	27	-2.0	-118.19	290.43	4.80	-113.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1F	REAL300000512379	0	25	-2.0	-115.20	270.37	2.98	-112.22
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C1C(=O)[O-]	REAL300000512380	1	28	-2.0	-103.03	287.88	3.51	-99.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC2=CC=CC=C21	REAL300000512381	1	31	-2.0	-119.64	307.75	5.07	-114.57
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512382	0	24	-2.0	-108.91	262.94	1.05	-107.86
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC=C1Cl	REAL300000512383	0	29	-2.0	-103.06	294.91	2.75	-100.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C(Cl)O1	REAL300000512384	0	22	-2.0	-99.09	266.81	1.90	-97.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC=C2Cl)=CC=C1OC(F)(F)F	REAL300000512385	1	29	-2.0	-106.38	310.49	3.49	-102.89
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC=C2Cl)=C1	REAL300000512386	0	28	-2.0	-102.44	310.04	-0.02	-102.46
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NNC=C3Cl)C=C2)CC1	REAL300000512387	1	32	-2.0	-105.37	312.83	4.83	-100.54
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NNC=C3Cl)C=C2C1	REAL300000512388	1	32	-2.0	-109.03	312.15	4.84	-104.19
CCC1=C(S(=O)(=O)[N-]C2=NNC=C2Cl)C=C(C(=O)[O-])O1	REAL300000512389	0	28	-2.0	-105.19	288.83	2.93	-102.26
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=C1CNC2=O	REAL300000512390	0	39	-2.0	-100.69	360.39	3.08	-97.61
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=C1CNC2=O	REAL300000512391	0	39	-2.0	-112.72	360.41	3.06	-109.66
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=C1CNC2=O	REAL300000512392	0	36	-2.0	-107.24	353.59	2.09	-105.15
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=C1CNC2=O	REAL300000512393	0	40	-2.0	-111.31	367.06	2.43	-108.88
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=C1CNC2=O	REAL300000512394	0	36	-2.0	-108.61	352.06	2.12	-106.49
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C2=C1CNC2=O	REAL300000512395	0	39	-2.0	-105.50	363.42	2.22	-103.28
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=C1CNC2=O	REAL300000512396	0	36	-2.0	-102.33	352.67	2.19	-100.14
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=C1CNC2=O	REAL300000512397	0	38	-2.0	-107.62	357.38	1.14	-106.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=CC=C1F	REAL300000512398	1	35	-2.0	-109.25	326.15	4.51	-104.74
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(O)=C1	REAL300000512399	0	43	-2.0	-110.02	381.24	5.58	-104.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1	REAL300000512400	1	35	-2.0	-98.74	321.61	4.49	-94.25
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512401	1	35	-2.0	-111.12	321.62	4.48	-106.64
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(O)=C1	REAL300000512402	0	39	-2.0	-117.55	349.76	4.29	-113.26
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1	REAL300000512403	1	39	-2.0	-98.22	353.07	5.78	-92.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1C(=O)[O-]	REAL300000512404	1	38	-2.0	-113.30	337.64	5.02	-108.28
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512405	0	35	-2.0	-107.39	334.69	5.06	-102.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=CC=C1Cl	REAL300000512406	1	35	-2.0	-107.70	334.13	4.88	-102.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1C	REAL300000512407	1	41	-2.0	-115.01	354.29	5.84	-109.17
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512408	0	35	-2.0	-109.22	327.10	4.55	-104.67
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1	REAL300000512409	1	41	-2.0	-97.42	365.19	6.07	-91.35
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512410	0	32	-2.0	-106.01	314.80	3.52	-102.49
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(O)=C1	REAL300000512411	1	38	-2.0	-112.77	337.05	5.28	-107.49
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1	REAL300000512412	1	39	-2.0	-96.80	352.69	4.77	-92.03
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1C(=O)[O-]	REAL300000512413	0	36	-2.0	-109.46	328.27	3.85	-105.61
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(O)=C1	REAL300000512414	1	39	-2.0	-113.13	345.83	3.30	-109.83
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512415	0	35	-2.0	-101.58	330.73	4.17	-97.41
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1C(=O)[O-]	REAL300000512416	1	41	-2.0	-114.46	352.69	5.83	-108.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=CS1	REAL300000512417	0	32	-2.0	-106.75	313.27	3.53	-103.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1C(=O)[O-]	REAL300000512418	1	39	-2.0	-116.89	348.91	4.55	-112.34
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512419	1	45	-2.0	-116.76	376.86	7.12	-109.64
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(O)=C1	REAL300000512420	1	44	-2.0	-115.04	375.53	6.49	-108.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(O)=C1	REAL300000512421	1	41	-2.0	-110.98	351.79	6.22	-104.76
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(O)=C1	REAL300000512422	0	42	-2.0	-117.09	372.05	5.05	-112.04
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=CC=CC=C3C(O)=C2)=CC(C(=O)[O-])=C1	REAL300000512423	0	38	-2.0	-113.88	352.54	5.04	-108.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=CC(C(=O)[O-])=C1	REAL300000512423	1	37	-3.0	-187.89	350.04	5.05	-182.84
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512424	1	42	-2.0	-117.17	365.87	6.39	-110.78
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C(C(=O)[O-])O1	REAL300000512425	0	35	-2.0	-105.42	324.63	3.64	-101.78
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512426	0	39	-2.0	-112.46	350.54	3.58	-108.88
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(O)=C3)C=C2C1	REAL300000512427	1	43	-2.0	-98.52	375.25	5.10	-93.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C(Cl)C=C1F	REAL300000512428	0	35	-2.0	-103.83	339.21	5.09	-98.74
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=CC=C1OCC(=O)[O-]	REAL300000512429	1	42	-2.0	-97.27	372.77	5.47	-91.80
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(O)=C1	REAL300000512430	1	38	-2.0	-102.98	342.33	5.31	-97.67
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1F	REAL300000512431	1	39	-2.0	-96.22	358.92	4.83	-91.39
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1C(=O)[O-]	REAL300000512432	1	42	-2.0	-118.50	370.77	5.46	-113.04
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C(C(=O)[O-])S1	REAL300000512433	0	35	-2.0	-108.83	331.32	4.38	-104.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C(Cl)=C1	REAL300000512434	0	35	-2.0	-96.11	334.67	5.04	-91.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1F	REAL300000512435	1	35	-2.0	-98.00	326.14	4.52	-93.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)S1	REAL300000512436	0	32	-2.0	-100.40	313.89	3.61	-96.79
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512437	1	35	-2.0	-102.55	328.02	4.55	-98.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1F	REAL300000512438	0	38	-2.0	-110.63	347.38	5.20	-105.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C(F)=C1	REAL300000512439	0	35	-2.0	-98.11	327.08	4.55	-93.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1Cl	REAL300000512440	1	35	-2.0	-96.19	334.12	4.88	-91.31
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(O)=C1	REAL300000512441	1	38	-2.0	-104.74	351.06	5.69	-99.05
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1	REAL300000512442	1	43	-2.0	-94.77	385.37	5.89	-88.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=CC(F)=C1F	REAL300000512443	1	35	-2.0	-99.77	332.45	4.58	-95.19
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512444	0	37	-2.0	-95.95	349.81	5.15	-90.80
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512445	0	36	-2.0	-111.65	331.33	2.21	-109.44
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512445	1	36	-2.0	-111.54	330.58	2.98	-108.56
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1	REAL300000512446	1	38	-2.0	-102.33	343.79	5.27	-97.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=CC(Cl)=C1F	REAL300000512447	1	35	-2.0	-102.02	342.34	5.01	-97.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(O)=C1	REAL300000512448	1	38	-2.0	-107.32	331.69	5.12	-102.20
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=CC(C(=O)[O-])=C1F	REAL300000512449	1	38	-2.0	-109.69	346.47	5.13	-104.56
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(O)=C1	REAL300000512450	1	38	-2.0	-98.86	337.03	5.26	-93.60
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=CC(C(=O)[O-])=C1C	REAL300000512451	1	41	-2.0	-115.61	359.12	5.68	-109.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=CC=C1[N+](=O)[O-]	REAL300000512452	0	37	-2.0	-108.92	348.20	5.58	-103.34
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512453	0	35	-2.0	-100.55	333.38	4.61	-95.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C(C)=C1C(=O)[O-]	REAL300000512454	1	41	-2.0	-111.81	355.01	5.90	-105.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1C(=O)[O-]	REAL300000512455	0	38	-2.0	-111.55	346.93	5.19	-106.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1Cl	REAL300000512456	0	38	-2.0	-109.14	353.38	5.63	-103.51
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512457	0	38	-2.0	-116.13	346.66	5.17	-110.96
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1C(=O)[O-]	REAL300000512458	1	41	-2.0	-114.05	355.58	5.67	-108.38
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1CC(=O)[O-]	REAL300000512459	1	42	-2.0	-113.70	372.09	4.61	-109.09
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(O)=C1	REAL300000512460	1	38	-2.0	-100.45	347.88	5.68	-94.77
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000512461	1	38	-2.0	-108.62	352.86	5.44	-103.18
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1C(=O)[O-]	REAL300000512462	0	39	-2.0	-110.73	349.64	4.70	-106.03
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C(C)=C1CC(=O)[O-]	REAL300000512463	1	47	-2.0	-112.45	386.77	7.36	-105.09
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1C(=O)[O-]	REAL300000512464	1	38	-2.0	-105.60	355.36	5.55	-100.05
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=CC=C1C(=O)[O-]	REAL300000512465	1	38	-2.0	-98.90	337.63	5.03	-93.87
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(O)=C1	REAL300000512466	1	38	-2.0	-109.90	341.58	5.30	-104.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1[N+](=O)[O-]	REAL300000512467	0	37	-2.0	-118.42	345.36	6.35	-112.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1F	REAL300000512468	0	35	-2.0	-115.33	325.28	4.52	-110.81
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C1C(=O)[O-]	REAL300000512469	1	38	-2.0	-103.74	346.56	5.16	-98.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=CC2=CC=CC=C21	REAL300000512470	1	41	-2.0	-120.50	362.66	6.61	-113.89
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C1	REAL300000512471	0	34	-2.0	-109.54	317.84	2.62	-106.92
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(O)=C1	REAL300000512472	0	39	-2.0	-103.02	349.82	4.29	-98.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)=C(Cl)O1	REAL300000512473	0	32	-2.0	-99.02	321.77	3.47	-95.55
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(O)=C3)C=C2)CC1	REAL300000512474	1	42	-2.0	-105.08	367.75	6.37	-98.71
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(O)=C3)C=C2C1	REAL300000512475	1	42	-2.0	-108.97	367.06	6.37	-102.60
CCC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(O)=C2)C=C(C(=O)[O-])O1	REAL300000512476	0	38	-2.0	-105.17	343.75	4.49	-100.68
COCCC1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000512493	0	46	-2.0	-113.06	378.02	6.29	-106.77
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000512503	0	40	-2.0	-96.32	365.21	-2.19	-98.51
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000512504	0	33	-2.0	-114.01	313.27	-0.75	-114.76
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(N)=O	REAL300000512505	0	41	-2.0	-112.77	368.36	0.31	-112.46
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000512506	0	33	-2.0	-103.82	308.72	-0.77	-104.59
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000512507	0	33	-2.0	-116.71	308.74	-0.78	-117.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(N)=O	REAL300000512508	0	37	-2.0	-120.33	336.88	-0.98	-121.31
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000512509	0	37	-2.0	-102.56	340.20	0.51	-102.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000512510	0	36	-2.0	-117.40	324.75	-0.25	-117.65
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000512511	0	33	-2.0	-110.38	321.81	-0.21	-110.59
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000512512	0	33	-2.0	-112.50	321.24	-0.39	-112.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)=C1C	REAL300000512513	0	39	-2.0	-117.94	341.85	0.56	-117.38
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000512514	0	33	-2.0	-112.71	314.21	-0.72	-113.43
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000512515	0	39	-2.0	-101.65	352.31	0.80	-100.85
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000512516	0	30	-2.0	-111.00	301.93	-1.77	-112.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(N)=O	REAL300000512517	0	36	-2.0	-115.99	324.17	0.01	-115.98
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000512518	0	37	-2.0	-101.23	339.82	-0.51	-101.74
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000512519	0	34	-2.0	-115.11	315.38	-1.43	-116.54
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(N)=O	REAL300000512520	0	37	-2.0	-116.33	332.52	-1.94	-118.27
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)=C1	REAL300000512521	0	33	-2.0	-106.96	317.85	-1.10	-108.06
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000512522	0	39	-2.0	-118.66	344.19	0.65	-118.01
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000512523	0	30	-2.0	-111.82	300.39	-1.75	-113.57
COC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)=CC(C(=O)[O-])=C1OC	REAL300000512524	0	41	-2.0	-117.00	367.05	-0.97	-117.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000512525	0	37	-2.0	-122.63	336.03	-0.71	-123.34
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000512526	0	43	-2.0	-119.71	363.98	1.85	-117.86
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(N)=O	REAL300000512527	0	42	-2.0	-117.00	361.89	1.22	-115.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(N)=O	REAL300000512528	0	39	-2.0	-112.60	334.34	0.87	-111.73
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(N)=O	REAL300000512529	0	40	-2.0	-121.85	359.17	-0.22	-122.07
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000512530	0	35	-3.0	-194.52	337.14	-0.22	-194.74
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000512531	0	40	-2.0	-120.68	352.98	1.11	-119.57
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000512532	0	33	-2.0	-109.64	311.74	-1.64	-111.28
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000512533	0	39	-2.0	-121.44	350.91	-1.01	-122.45
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)=C1	REAL300000512534	0	37	-2.0	-118.49	337.65	-1.68	-120.17
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000512535	0	41	-2.0	-102.09	361.65	-0.18	-102.27
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000512536	0	33	-2.0	-106.97	326.33	-0.20	-107.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)=CC=C1OCC(=O)[O-]	REAL300000512537	0	40	-2.0	-101.78	359.89	0.21	-101.57
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(N)=O	REAL300000512538	0	36	-2.0	-106.85	329.44	0.05	-106.80
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000512539	0	37	-2.0	-100.62	346.04	-0.43	-101.05
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000512540	0	40	-2.0	-122.80	357.88	0.19	-122.61
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C(C(=O)[O-])S1	REAL300000512541	0	33	-2.0	-112.03	317.36	-0.89	-112.92
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000512542	0	33	-2.0	-100.90	321.79	-0.22	-101.12
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000512543	0	33	-2.0	-103.16	313.27	-0.74	-103.90
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000512544	0	30	-2.0	-105.60	301.00	-1.65	-107.25
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000512545	0	33	-2.0	-107.12	315.15	-0.71	-107.83
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)=C1F	REAL300000512546	0	36	-2.0	-114.77	334.48	-0.09	-114.86
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000512547	0	33	-2.0	-103.44	314.20	-0.71	-104.15
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000512548	0	33	-2.0	-101.28	321.24	-0.38	-101.66
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(N)=O	REAL300000512549	0	36	-2.0	-108.48	338.18	0.43	-108.05
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000512550	0	41	-2.0	-98.91	372.48	0.63	-98.28
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000512551	0	33	-2.0	-105.02	319.55	-0.69	-105.71
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000512552	0	35	-2.0	-101.18	336.93	-0.11	-101.29
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000512553	0	34	-2.0	-114.06	318.45	-3.08	-117.14
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000512554	0	36	-2.0	-106.65	330.91	-0.01	-106.66
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000512555	0	33	-2.0	-106.51	329.44	-0.25	-106.76
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(N)=O	REAL300000512556	0	36	-2.0	-113.15	318.77	-0.13	-113.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)=CC(C(=O)[O-])=C1F	REAL300000512557	0	36	-2.0	-115.61	333.57	-0.13	-115.74
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(N)=O	REAL300000512558	0	36	-2.0	-103.52	324.15	-0.00	-103.52
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)=CC(C(=O)[O-])=C1C	REAL300000512559	0	39	-2.0	-119.58	341.61	0.29	-119.29
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000512560	0	35	-2.0	-114.14	335.31	0.32	-113.82
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000512561	0	33	-2.0	-105.02	320.47	-0.65	-105.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C(C)=C1C(=O)[O-]	REAL300000512562	0	39	-2.0	-117.78	342.27	0.62	-117.16
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000512563	0	36	-2.0	-115.48	334.05	-0.08	-115.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)=C1Cl	REAL300000512564	0	36	-2.0	-112.84	340.52	0.36	-112.48
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)=C1	REAL300000512565	0	36	-2.0	-122.27	333.78	-0.09	-122.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000512566	0	39	-2.0	-118.24	342.70	0.40	-117.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C1CC(=O)[O-]	REAL300000512567	0	40	-2.0	-120.21	359.21	-0.65	-120.86
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(N)=O	REAL300000512568	0	36	-2.0	-106.22	335.00	0.40	-105.82
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)=CC(C(=O)[O-])=C1Cl	REAL300000512569	0	36	-2.0	-114.48	339.96	0.18	-114.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000512570	0	37	-2.0	-116.42	336.76	-0.56	-116.98
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C(C)=C1CC(=O)[O-]	REAL300000512571	0	45	-2.0	-117.65	373.89	2.09	-115.56
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000512572	0	36	-2.0	-109.72	338.60	0.19	-109.53
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C(C(=O)[O-])S1	REAL300000512573	0	42	-2.0	-111.33	354.93	1.31	-110.02
CC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)=CC=C1C(=O)[O-]	REAL300000512574	0	36	-2.0	-105.62	328.81	-0.13	-105.75
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000512575	0	38	-2.0	-106.93	351.99	1.41	-105.52
NC(=O)C1=CC([O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000512575	1	37	-3.0	-180.24	348.43	2.17	-178.07
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(N)=O	REAL300000512576	0	36	-2.0	-112.54	328.69	0.03	-112.51
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000512577	0	35	-2.0	-123.35	332.47	1.08	-122.27
NC(=O)C1=CC([O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000512577	1	34	-3.0	-197.95	328.91	1.83	-196.12
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000512578	0	33	-2.0	-121.29	312.37	-0.76	-122.05
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C1C(=O)[O-]	REAL300000512579	0	36	-2.0	-108.02	329.90	-0.21	-108.23
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000512580	0	39	-2.0	-124.95	349.78	1.34	-123.61
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000512581	0	32	-2.0	-114.33	304.95	-2.66	-116.99
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1C(N)=O	REAL300000512582	0	37	-2.0	-107.82	336.94	-0.99	-108.81
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000512583	0	30	-2.0	-103.65	308.84	-1.81	-105.46
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000512584	0	40	-2.0	-109.60	354.86	1.11	-108.49
NC(=O)C1=CC(O)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000512585	0	40	-2.0	-114.35	352.82	1.08	-113.27
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2C(N)=O)C=C(C(=O)[O-])O1	REAL300000512586	0	36	-2.0	-108.22	327.00	-0.81	-109.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1C(F)(F)F	REAL300000512589	0	31	-2.0	-112.12	304.28	6.08	-106.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CC=C1C(F)(F)F	REAL300000512590	0	30	-2.0	-96.31	307.62	4.45	-91.86
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512591	1	32	-2.0	-102.06	316.61	6.20	-95.86
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300000512592	1	32	-2.0	-98.05	316.59	6.20	-91.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=CC=C1C(F)(F)F	REAL300000512593	0	31	-2.0	-102.09	318.00	6.40	-95.69
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512594	0	32	-2.0	-113.11	313.87	6.10	-107.01
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512595	0	34	-2.0	-100.65	311.97	3.65	-97.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=CC=C1C(F)(F)F	REAL300000512596	1	41	-2.0	-106.64	358.48	8.31	-98.33
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300000512597	0	34	-2.0	-103.74	326.67	6.38	-97.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=CC=C1C(F)(F)F	REAL300000512598	1	38	-2.0	-106.88	341.28	7.73	-99.15
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512599	0	33	-2.0	-96.11	308.95	4.79	-91.32
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512600	0	34	-2.0	-105.41	326.70	6.38	-99.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512600	1	33	-3.0	-173.57	324.23	6.38	-167.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=CC=C1C(F)(F)F	REAL300000512601	1	31	-2.0	-95.88	308.48	5.92	-89.96
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512602	1	34	-2.0	-105.78	317.17	6.49	-99.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CC=C1C(F)(F)F	REAL300000512604	1	31	-2.0	-101.76	312.49	6.34	-95.42
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300000512605	1	36	-2.0	-103.81	336.23	6.20	-97.61
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512606	1	37	-2.0	-105.45	332.66	7.24	-98.21
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=CC=C1C(F)(F)F	REAL300000512608	1	31	-2.0	-96.04	318.37	6.37	-89.67
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512609	1	36	-2.0	-114.75	338.54	6.30	-108.45
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300000512611	1	40	-2.0	-104.57	355.99	7.74	-96.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CC=C1C(F)(F)F	REAL300000512612	0	28	-2.0	-97.89	304.75	5.44	-92.45
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300000512613	1	40	-2.0	-104.40	360.15	8.03	-96.37
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512614	0	35	-2.0	-111.52	324.01	5.62	-105.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=CC=C1C(F)(F)F	REAL300000512615	0	31	-2.0	-100.64	313.83	6.01	-94.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=CC=C1C(F)(F)F	REAL300000512616	0	31	-2.0	-106.37	308.90	6.37	-100.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000512617	1	33	-2.0	-102.47	323.98	6.49	-95.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1C(F)(F)F	REAL300000512618	0	28	-2.0	-103.23	287.70	4.82	-98.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=CC=C1C(F)(F)F	REAL300000512620	0	33	-2.0	-118.08	314.31	7.20	-110.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=CC=C1C(F)(F)F	REAL300000512623	0	31	-2.0	-101.47	307.67	5.95	-95.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC=C1C(F)(F)F	REAL300000512624	1	31	-2.0	-101.91	302.17	5.89	-96.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=CC=C1C(F)(F)F	REAL300000512625	0	31	-2.0	-96.26	308.58	5.96	-90.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=CC=C1C(F)(F)F	REAL300000512627	1	31	-2.0	-98.95	312.49	6.33	-92.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC=C1C(F)(F)F	REAL300000512628	0	33	-2.0	-94.28	323.99	6.47	-87.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=CC=C1C(F)(F)F	REAL300000512629	1	31	-2.0	-105.08	295.76	5.81	-99.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300000512630	0	31	-2.0	-104.19	309.59	5.61	-98.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=CC=C1C(F)(F)F	REAL300000512631	0	31	-2.0	-104.16	307.67	5.95	-98.21
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300000512632	1	35	-2.0	-102.96	335.96	6.83	-96.13
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512633	0	30	-3.0	-166.81	317.41	5.39	-161.42
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512635	0	37	-2.0	-103.94	333.38	4.89	-99.05
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300000512636	1	35	-2.0	-104.46	330.26	2.59	-101.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC=C1C(F)(F)F	REAL300000512638	1	37	-2.0	-107.73	341.71	8.10	-99.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=CC=C1C(F)(F)F	REAL300000512639	1	31	-2.0	-98.27	302.16	5.88	-92.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC=C1C(F)(F)F	REAL300000512640	0	31	-2.0	-109.44	301.26	5.87	-103.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300000512641	0	34	-2.0	-106.14	330.31	7.03	-99.11
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=CC=C1C(F)(F)F	REAL300000512643	0	31	-2.0	-98.93	315.30	6.45	-92.48
CN1C=C(S(=O)(=O)NC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000512644	0	35	-2.0	-118.96	337.51	5.59	-113.37
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000512644	1	34	-3.0	-171.48	330.87	5.71	-165.77
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1Cl	REAL300000512645	0	31	-2.0	-111.52	313.23	5.38	-106.14
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000512646	0	36	-2.0	-103.26	337.71	1.98	-101.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1F	REAL300000512647	1	35	-2.0	-101.58	331.48	5.19	-96.39
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000512649	0	31	-2.0	-102.29	300.31	3.52	-98.77
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512651	1	34	-2.0	-101.20	327.98	7.09	-94.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000512652	1	34	-2.0	-102.44	331.23	6.94	-95.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=CC=C1C(F)(F)F	REAL300000512653	0	31	-2.0	-106.75	317.44	6.36	-100.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1F	REAL300000512654	1	34	-2.0	-102.33	322.48	6.53	-95.80
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512655	1	34	-2.0	-98.65	327.98	7.08	-91.57
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512656	0	34	-2.0	-109.61	322.68	6.54	-103.07
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512657	1	34	-2.0	-101.31	317.65	6.65	-94.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CS1	REAL300000512658	0	30	-3.0	-168.69	315.88	5.40	-163.29
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CS1	REAL300000512658	1	31	-2.0	-104.27	318.35	5.42	-98.85
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512660	0	35	-2.0	-106.32	326.96	4.17	-102.15
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512660	1	35	-2.0	-97.68	315.98	5.05	-92.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2)=CC=C1C(F)(F)F	REAL300000512661	0	28	-2.0	-99.90	277.35	2.20	-97.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=CC=C1C(F)(F)F	REAL300000512662	0	31	-2.0	-102.28	310.67	6.16	-96.12
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000512663	0	33	-3.0	-164.13	327.24	5.51	-158.62
CC1=C(S(=O)(=O)NC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000512663	1	34	-2.0	-102.47	313.83	4.74	-97.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=CC=C1C(F)(F)F	REAL300000512664	0	34	-2.0	-124.34	323.96	5.02	-119.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC=C1C(F)(F)F	REAL300000512665	0	30	-2.0	-96.46	297.19	4.09	-92.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=CC=C1C(F)(F)F	REAL300000512666	1	36	-2.0	-106.44	331.93	6.25	-100.19
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512667	0	31	-2.0	-114.36	299.95	4.90	-109.46
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000512668	0	31	-2.0	-95.16	311.72	4.33	-90.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=CC=C1C(F)(F)F	REAL300000512669	0	31	-2.0	-107.83	307.55	5.93	-101.90
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CN1C	REAL300000512670	0	34	-2.0	-113.79	319.30	4.72	-109.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000512671	0	34	-2.0	-102.69	321.85	4.38	-98.31
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512672	1	38	-2.0	-106.60	350.83	5.54	-101.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=CC=C1C(F)(F)F	REAL300000512673	1	36	-2.0	-103.72	331.74	5.12	-98.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=CC=C1C(F)(F)F	REAL300000512674	0	31	-2.0	-101.50	315.30	6.45	-95.05
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512676	0	31	-2.0	-100.60	296.18	2.86	-97.74
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512677	1	35	-2.0	-106.93	325.27	5.11	-101.82
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512678	1	34	-2.0	-105.12	310.83	6.59	-98.53
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300000512680	0	31	-2.0	-110.28	300.61	3.34	-106.94
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512681	0	31	-2.0	-97.63	296.01	3.45	-94.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000512687	0	34	-2.0	-109.02	322.68	6.54	-102.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000512688	1	34	-2.0	-98.77	322.50	6.51	-92.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC=N2)=CC=C1C(F)(F)F	REAL300000512689	0	28	-2.0	-110.66	277.07	3.21	-107.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300000512690	0	34	-2.0	-99.29	335.31	4.60	-94.69
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=CC=C1C(F)(F)F	REAL300000512691	0	36	-2.0	-120.83	335.68	6.45	-114.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=CC=C1C(F)(F)F	REAL300000512692	0	31	-2.0	-96.66	313.96	6.00	-90.66
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000512693	0	33	-2.0	-97.04	326.42	5.04	-92.00
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)SC=C1	REAL300000512695	0	31	-2.0	-105.78	306.53	5.44	-100.34
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1C	REAL300000512696	0	40	-2.0	-103.98	355.20	5.75	-98.23
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512699	1	35	-2.0	-101.11	332.03	6.99	-94.12
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512700	1	35	-2.0	-97.78	332.01	6.98	-90.80
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000512702	0	32	-2.0	-101.26	322.07	6.27	-94.99
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000512703	0	37	-2.0	-102.53	340.54	4.90	-97.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=CC=C1C(F)(F)F	REAL300000512705	1	36	-2.0	-105.72	336.74	6.20	-99.52
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CN1	REAL300000512706	0	37	-2.0	-113.21	339.73	4.24	-108.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=CC=C1C(F)(F)F	REAL300000512709	1	31	-2.0	-91.06	314.76	6.00	-85.06
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CC(C)=C1F	REAL300000512711	1	37	-2.0	-99.44	342.80	7.14	-92.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300000512712	0	30	-3.0	-161.15	316.50	5.51	-155.64
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512713	0	40	-2.0	-114.03	360.47	6.78	-107.25
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CN1	REAL300000512714	0	35	-2.0	-105.45	339.16	4.16	-101.29
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512715	1	34	-2.0	-101.54	316.57	6.61	-94.93
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300000512716	0	33	-2.0	-101.90	322.28	4.30	-97.60
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300000512717	1	35	-2.0	-109.60	338.01	6.99	-102.61
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512718	1	37	-2.0	-106.01	338.66	7.25	-98.76
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512719	1	34	-2.0	-101.94	323.58	6.55	-95.39
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C(F)C=C1F	REAL300000512721	0	34	-2.0	-101.54	327.98	6.58	-94.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=CC=C1C(F)(F)F	REAL300000512722	1	37	-2.0	-113.06	336.81	8.12	-104.94
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=CC=C1C(F)(F)F	REAL300000512723	1	41	-2.0	-108.47	351.09	8.45	-100.02
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)SC=C1	REAL300000512725	0	32	-2.0	-111.79	317.93	4.09	-107.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CC=C1C(F)(F)F	REAL300000512726	0	34	-2.0	-106.95	325.53	6.20	-100.75
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512727	0	31	-2.0	-95.69	311.80	4.73	-90.96
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)N=C1Cl	REAL300000512728	0	31	-2.0	-110.56	316.12	4.63	-105.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=CC=C1C(F)(F)F	REAL300000512729	0	32	-2.0	-110.37	311.60	4.56	-105.81
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512730	0	32	-2.0	-96.23	317.99	3.65	-92.58
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300000512731	0	30	-2.0	-101.15	304.30	3.64	-97.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1F	REAL300000512733	0	34	-2.0	-104.01	327.96	6.59	-97.42
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512735	0	37	-2.0	-113.49	341.37	6.19	-107.30
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000512736	0	38	-2.0	-101.15	355.52	3.43	-97.72
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1C#N	REAL300000512738	0	35	-2.0	-114.01	333.02	6.61	-107.40
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512739	0	37	-2.0	-113.46	343.25	6.55	-106.91
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1F	REAL300000512740	0	34	-2.0	-110.47	321.57	6.53	-103.94
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000512741	0	37	-2.0	-98.79	344.81	3.43	-95.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=CC=C1C(F)(F)F	REAL300000512742	0	38	-2.0	-114.42	341.55	5.84	-108.58
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300000512743	1	38	-2.0	-104.62	350.83	5.54	-99.08
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512744	0	36	-2.0	-106.81	335.03	2.81	-104.00
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1Cl	REAL300000512745	0	34	-2.0	-107.27	327.65	6.96	-100.31
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C(C)O1	REAL300000512747	0	34	-2.0	-102.41	318.74	5.39	-97.02
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512748	1	38	-2.0	-103.94	342.36	5.83	-98.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300000512749	0	31	-2.0	-104.25	300.36	4.63	-99.62
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512750	0	34	-2.0	-105.16	329.42	6.23	-98.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=CC=C1C(F)(F)F	REAL300000512751	1	34	-2.0	-102.07	321.82	4.47	-97.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=CC=C1C(F)(F)F	REAL300000512752	1	31	-2.0	-96.57	318.90	6.40	-90.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=CC=C1C(F)(F)F	REAL300000512753	0	30	-2.0	-96.63	307.54	4.50	-92.13
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)N=C1C	REAL300000512754	0	37	-2.0	-113.59	341.31	5.63	-107.96
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512755	0	34	-2.0	-106.67	330.31	7.04	-99.63
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512756	0	34	-2.0	-103.40	335.65	4.55	-98.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=CC=C1C(F)(F)F	REAL300000512757	0	31	-2.0	-109.29	311.82	6.61	-102.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(Cl)=N1	REAL300000512758	0	33	-2.0	-104.68	325.66	5.12	-99.56
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300000512759	0	33	-2.0	-100.80	325.78	4.40	-96.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CC=C1C(F)(F)F	REAL300000512760	0	34	-2.0	-113.52	323.69	6.13	-107.39
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512764	0	31	-2.0	-98.44	324.74	6.04	-92.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=CC=C1C(F)(F)F	REAL300000512765	1	34	-2.0	-105.17	327.95	6.69	-98.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=CC=C1C(F)(F)F	REAL300000512766	0	34	-2.0	-102.07	333.69	4.71	-97.36
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512767	1	35	-2.0	-111.31	331.86	6.88	-104.43
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512768	1	40	-2.0	-107.33	349.78	7.80	-99.53
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000512769	1	35	-2.0	-98.24	331.50	5.19	-93.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=CC=C1C(F)(F)F	REAL300000512770	0	30	-2.0	-111.76	308.46	6.21	-105.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CO2)=CC=C1C(F)(F)F	REAL300000512771	0	28	-2.0	-103.24	278.45	3.81	-99.43
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512772	0	30	-2.0	-93.30	290.23	2.23	-91.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000512773	0	30	-2.0	-96.41	316.93	5.57	-90.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CC=C1C(F)(F)F	REAL300000512774	0	35	-2.0	-106.73	323.75	5.25	-101.48
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512775	1	37	-2.0	-103.36	325.99	7.54	-95.82
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512777	0	34	-2.0	-109.22	315.36	6.78	-102.44
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512779	0	34	-2.0	-101.88	320.36	3.28	-98.60
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512782	1	35	-2.0	-112.10	328.61	7.06	-105.04
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512783	1	35	-2.0	-109.21	338.01	6.98	-102.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(N)=NO1	REAL300000512785	0	32	-2.0	-95.81	302.20	3.23	-92.58
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512786	1	38	-2.0	-106.32	340.73	5.88	-100.44
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300000512788	0	29	-2.0	-96.25	308.27	5.37	-90.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000512789	0	33	-2.0	-102.33	312.37	4.64	-97.69
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=CC=C1C(F)(F)F	REAL300000512790	0	36	-2.0	-105.05	336.95	6.18	-98.87
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CC=C1C#N	REAL300000512791	1	35	-2.0	-97.82	335.73	6.70	-91.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=CC=C1C(F)(F)F	REAL300000512792	0	30	-2.0	-91.76	313.50	4.50	-87.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000512794	0	35	-2.0	-106.87	330.75	5.18	-101.69
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=CC=C1C(F)(F)F	REAL300000512796	1	34	-2.0	-103.25	329.93	6.74	-96.51
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000512798	0	34	-2.0	-98.46	312.64	4.27	-94.19
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300000512799	0	29	-2.0	-97.17	299.69	4.36	-92.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2)=CC=C1C(F)(F)F	REAL300000512800	0	28	-2.0	-101.32	286.87	4.73	-96.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC=C2)=CC=C1C(F)(F)F	REAL300000512801	0	28	-2.0	-101.85	278.30	3.70	-98.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000512802	0	34	-2.0	-98.79	322.96	2.49	-96.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=CC=C1C(F)(F)F	REAL300000512803	0	31	-2.0	-104.17	318.00	6.40	-97.77
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512804	1	42	-2.0	-102.91	374.35	6.95	-95.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=CC=C1C(F)(F)F	REAL300000512805	0	34	-2.0	-109.16	322.37	4.45	-104.71
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512806	1	38	-2.0	-107.03	347.12	6.04	-100.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=CC=C1C(F)(F)F	REAL300000512808	0	28	-2.0	-102.84	303.75	5.27	-97.57
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512809	0	31	-2.0	-103.24	309.33	5.48	-97.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC=C1C(F)(F)F	REAL300000512810	0	28	-2.0	-101.32	294.06	2.62	-98.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=CC=C1C(F)(F)F	REAL300000512811	0	30	-2.0	-100.32	302.69	3.92	-96.40
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512812	0	30	-2.0	-97.78	304.26	4.12	-93.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=CC=C1C(F)(F)F	REAL300000512815	1	38	-2.0	-104.55	344.99	7.92	-96.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC=C1C(F)(F)F	REAL300000512816	0	28	-2.0	-104.72	294.05	4.86	-99.86
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1F	REAL300000512817	1	32	-2.0	-95.42	322.47	6.25	-89.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NC=CN2)=CC=C1C(F)(F)F	REAL300000512820	0	28	-2.0	-105.35	277.39	2.40	-102.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=CC=C1C(F)(F)F	REAL300000512821	0	36	-2.0	-109.55	332.76	2.72	-106.83
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300000512822	0	34	-2.0	-106.59	327.21	6.34	-100.25
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000512823	0	32	-2.0	-94.74	319.16	4.67	-90.07
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512824	0	33	-2.0	-96.16	323.32	5.20	-90.96
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=NN1C	REAL300000512828	0	34	-2.0	-102.59	316.40	4.03	-98.56
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300000512829	1	35	-2.0	-105.15	326.86	6.90	-98.25
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512830	0	34	-2.0	-103.29	319.15	4.17	-99.12
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512831	0	31	-2.0	-96.13	311.64	4.40	-91.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=CC=C1C(F)(F)F	REAL300000512834	1	36	-2.0	-107.28	331.57	5.65	-101.63
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512836	0	34	-2.0	-106.25	322.89	7.31	-98.94
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CC=C1C(F)(F)F	REAL300000512837	0	36	-2.0	-114.50	332.07	5.63	-108.87
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(F)=C1	REAL300000512841	0	34	-2.0	-111.11	325.68	6.77	-104.34
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512843	0	35	-2.0	-107.62	330.43	5.66	-101.96
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512844	0	30	-2.0	-96.15	294.52	3.71	-92.44
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000512845	1	34	-2.0	-99.67	331.24	6.91	-92.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CC=C1C(F)(F)F	REAL300000512846	1	37	-2.0	-113.48	343.86	6.81	-106.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC=C1C(F)(F)F	REAL300000512848	0	30	-2.0	-107.56	296.25	4.00	-103.56
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC=C1C(F)(F)F	REAL300000512851	0	30	-2.0	-95.63	297.17	3.97	-91.66
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=CS1	REAL300000512853	0	29	-2.0	-108.47	306.17	5.21	-103.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=CC=C1C(F)(F)F	REAL300000512856	1	31	-2.0	-96.34	318.37	6.38	-89.96
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)N1C	REAL300000512863	0	34	-2.0	-102.45	314.95	4.86	-97.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=CC=C1C(F)(F)F	REAL300000512865	0	34	-2.0	-101.61	335.52	5.32	-96.29
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=CC=C1C(F)(F)F	REAL300000512866	0	30	-2.0	-100.91	313.15	4.41	-96.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(F)=C1F	REAL300000512867	0	34	-2.0	-107.86	327.89	6.58	-101.28
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)OC=C1	REAL300000512868	0	34	-2.0	-111.22	329.15	5.18	-106.04
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300000512869	0	33	-2.0	-116.15	322.83	4.79	-111.36
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512870	0	32	-3.0	-167.47	321.21	4.42	-163.05
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512871	0	35	-2.0	-103.58	328.52	5.96	-97.62
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512872	1	32	-2.0	-96.28	323.01	6.28	-90.00
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=CC=C1C(F)(F)F	REAL300000512873	0	33	-2.0	-115.87	318.93	4.99	-110.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=CC=C1C(F)(F)F	REAL300000512873	1	33	-2.0	-104.03	319.04	4.86	-99.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=CC=C1C(F)(F)F	REAL300000512874	0	35	-2.0	-112.31	329.51	5.79	-106.52
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=CC=C1C(F)(F)F	REAL300000512876	0	32	-2.0	-91.42	300.98	4.47	-86.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=CC=C1C(F)(F)F	REAL300000512876	1	32	-2.0	-101.66	311.95	3.58	-98.08
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300000512877	1	41	-2.0	-104.32	372.96	8.59	-95.73
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512878	0	34	-2.0	-117.35	326.76	3.48	-113.87
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512879	0	37	-2.0	-103.04	338.62	4.97	-98.07
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000512880	0	31	-2.0	-98.06	300.98	3.15	-94.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(C#N)=C1	REAL300000512881	0	35	-2.0	-111.94	335.27	6.76	-105.18
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512882	0	35	-2.0	-110.15	327.35	7.05	-103.10
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300000512883	1	38	-2.0	-108.34	359.51	7.77	-100.57
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512884	0	31	-2.0	-95.25	315.01	1.62	-93.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC=C1C(F)(F)F	REAL300000512886	0	27	-2.0	-97.66	282.51	3.52	-94.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C(C(N)=O)O1	REAL300000512888	0	35	-2.0	-102.37	335.27	1.43	-100.94
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512889	1	40	-2.0	-103.83	347.49	8.30	-95.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=CC=C1C(F)(F)F	REAL300000512891	1	36	-2.0	-113.97	332.01	6.33	-107.64
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1F	REAL300000512892	0	32	-2.0	-107.90	321.59	6.24	-101.66
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)N=N1	REAL300000512893	0	30	-2.0	-106.57	294.56	2.13	-104.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=CC=C1C(F)(F)F	REAL300000512894	0	38	-2.0	-102.71	345.66	5.48	-97.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=CC=C1C(F)(F)F	REAL300000512895	0	38	-2.0	-99.91	343.06	5.70	-94.21
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=CC=C1C(F)(F)F	REAL300000512896	0	38	-2.0	-104.64	338.70	5.87	-98.77
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512897	0	34	-2.0	-101.20	318.81	6.52	-94.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=CC=C1C(F)(F)F	REAL300000512898	0	28	-2.0	-102.53	301.20	5.26	-97.27
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512899	0	33	-2.0	-93.73	309.69	3.16	-90.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=CC=C1C(F)(F)F	REAL300000512901	1	32	-2.0	-94.57	310.65	4.60	-89.97
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512902	0	38	-2.0	-98.81	346.69	5.58	-93.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=CC=C1C(F)(F)F	REAL300000512903	0	34	-2.0	-107.18	325.54	6.10	-101.08
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000512904	0	38	-2.0	-105.59	351.06	5.74	-99.85
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(F)(F)F)C(C(=O)[O-])=C3)=C21	REAL300000512905	0	38	-2.0	-105.59	336.71	7.74	-97.85
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CN=C1N	REAL300000512906	1	35	-2.0	-104.32	323.78	3.52	-100.80
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512907	0	31	-2.0	-102.62	313.06	1.69	-100.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)N=CN1	REAL300000512908	0	31	-2.0	-114.33	296.15	3.83	-110.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=CC=C1C(F)(F)F	REAL300000512910	0	28	-2.0	-101.86	301.60	5.35	-96.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=CC=C1C(F)(F)F	REAL300000512911	0	35	-2.0	-108.09	332.50	7.01	-101.08
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512912	1	40	-2.0	-106.08	360.16	8.02	-98.06
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512913	0	32	-2.0	-107.43	320.27	6.17	-101.26
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512914	0	38	-2.0	-102.71	341.45	5.34	-97.37
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512917	0	40	-2.0	-97.79	342.75	5.73	-92.06
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000512918	0	40	-2.0	-103.35	360.26	5.53	-97.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=CC=C1C(F)(F)F	REAL300000512919	0	38	-2.0	-103.30	344.31	4.91	-98.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=CC=C1C(F)(F)F	REAL300000512920	1	34	-2.0	-104.04	323.75	6.63	-97.41
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512921	0	34	-2.0	-98.32	317.94	4.03	-94.29
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1C	REAL300000512923	1	37	-2.0	-105.48	328.97	7.14	-98.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=CC=C1C(F)(F)F	REAL300000512924	0	34	-2.0	-103.73	323.56	6.82	-96.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=CC=C1C(F)(F)F	REAL300000512925	1	38	-2.0	-106.10	344.99	7.91	-98.19
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=CS1	REAL300000512926	0	32	-2.0	-108.07	318.00	4.27	-103.80
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512927	0	40	-2.0	-100.23	356.90	5.63	-94.60
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300000512929	0	34	-2.0	-104.21	321.85	5.42	-98.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300000512930	0	32	-2.0	-101.55	319.56	4.27	-97.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CC=C1C(F)(F)F	REAL300000512931	0	34	-2.0	-100.31	328.44	4.51	-95.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CC=C1C(F)(F)F	REAL300000512932	1	34	-2.0	-108.19	317.40	6.72	-101.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC=C1C(F)(F)F	REAL300000512933	0	34	-2.0	-107.73	321.27	6.21	-101.52
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300000512934	0	33	-2.0	-102.43	316.48	2.67	-99.76
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1Cl	REAL300000512935	0	34	-2.0	-100.12	337.46	4.74	-95.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC=C1C(F)(F)F	REAL300000512936	0	28	-2.0	-98.63	295.51	4.42	-94.21
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=CC=C1C(F)(F)F	REAL300000512938	0	35	-2.0	-104.67	339.59	7.13	-97.54
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512939	0	31	-2.0	-103.55	300.35	4.49	-99.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=CC=C1C(F)(F)F	REAL300000512940	0	30	-2.0	-91.47	313.39	4.45	-87.02
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512941	0	37	-2.0	-103.26	340.19	5.76	-97.50
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(F)(F)F)C(C(=O)[O-])=C3)=CC=C21	REAL300000512942	1	38	-2.0	-111.19	349.47	7.58	-103.61
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1Cl	REAL300000512943	0	31	-2.0	-99.81	315.62	3.87	-95.94
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)OC=C1	REAL300000512944	0	29	-2.0	-105.02	297.61	4.29	-100.73
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512945	0	33	-2.0	-95.72	323.51	5.20	-90.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC=C1C(F)(F)F	REAL300000512948	0	28	-2.0	-101.22	294.56	4.30	-96.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CC=C1C(F)(F)F	REAL300000512949	0	28	-2.0	-98.68	304.57	5.33	-93.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=CC=C1C(F)(F)F	REAL300000512950	1	38	-2.0	-108.13	339.32	7.98	-100.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(C)=N1	REAL300000512952	1	37	-2.0	-98.52	338.61	3.24	-95.28
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512953	0	37	-2.0	-108.79	343.15	3.66	-105.13
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1C	REAL300000512954	0	37	-2.0	-99.65	343.08	3.23	-96.42
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000512955	0	40	-2.0	-102.66	363.18	5.90	-96.76
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512956	0	40	-2.0	-103.55	359.37	5.55	-98.00
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=CO1	REAL300000512957	0	29	-2.0	-105.09	298.73	4.21	-100.88
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)SC=C1	REAL300000512958	0	29	-2.0	-104.18	307.82	5.14	-99.04
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300000512959	0	37	-2.0	-99.66	338.68	5.00	-94.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CC=C1C(F)(F)F	REAL300000512960	0	38	-2.0	-98.83	347.98	5.94	-92.89
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=NN1C(C)C	REAL300000512962	0	40	-2.0	-103.32	360.25	5.55	-97.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=CC=C1C(F)(F)F	REAL300000512963	0	33	-2.0	-99.11	323.13	4.83	-94.28
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC=C1C(F)(F)F	REAL300000512965	1	32	-2.0	-105.57	306.79	2.96	-102.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC=C1C(F)(F)F	REAL300000512966	0	27	-2.0	-95.98	281.41	3.42	-92.56
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000512967	0	31	-2.0	-97.47	321.04	6.21	-91.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC=C1C(F)(F)F	REAL300000512968	0	27	-2.0	-100.06	282.34	2.94	-97.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=CC=C1C(F)(F)F	REAL300000512969	0	38	-2.0	-104.31	341.49	5.13	-99.18
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300000512970	0	34	-2.0	-109.61	322.68	6.54	-103.07
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000512971	0	34	-2.0	-82.33	329.02	1.88	-80.45
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000512972	0	27	-2.0	-97.42	277.10	3.31	-94.11
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSN=C1C	REAL300000512973	0	35	-2.0	-99.28	332.18	4.39	-94.89
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000512974	0	27	-2.0	-95.40	288.99	4.00	-91.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSN=C1C	REAL300000512975	0	31	-2.0	-105.17	300.70	3.09	-102.08
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000512976	0	27	-2.0	-95.01	288.82	3.77	-91.24
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000512977	0	31	-2.0	-87.97	304.01	4.59	-83.38
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000512978	0	30	-2.0	-100.31	288.58	3.81	-96.50
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000512979	0	27	-2.0	-95.82	285.64	3.85	-91.97
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000512980	0	27	-2.0	-95.52	285.08	3.67	-91.85
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000512981	0	27	-2.0	-91.70	298.13	4.24	-87.46
CC1=NSC=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000512982	0	33	-2.0	-103.17	305.23	4.63	-98.54
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000512983	0	27	-2.0	-97.00	278.03	3.35	-93.65
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000512984	0	33	-2.0	-87.22	316.14	4.87	-82.35
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000512985	0	24	-2.0	-93.84	265.75	2.32	-91.52
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000512986	0	30	-2.0	-101.27	288.00	4.07	-97.20
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000512987	0	31	-2.0	-86.61	303.62	3.57	-83.04
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000512988	0	38	-2.0	-83.29	349.40	4.35	-78.94
CC1=NSC=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000512989	0	24	-2.0	-91.44	282.75	3.08	-88.36
CC1=NSC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000512990	0	28	-2.0	-98.07	279.21	2.65	-95.42
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000512991	0	31	-2.0	-102.04	296.35	2.12	-99.92
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000512992	0	27	-2.0	-94.77	297.49	3.93	-90.84
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CSN=C2C)=C1	REAL300000512993	0	27	-2.0	-90.19	281.67	2.98	-87.21
CC1=NSC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000512994	0	33	-2.0	-103.61	308.01	4.71	-98.90
CC1=NSC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000512995	0	24	-2.0	-95.27	264.21	2.33	-92.94
COC1=CC(S(=O)(=O)[N-]C2=CSN=C2C)=CC(C(=O)[O-])=C1OC	REAL300000512996	0	35	-2.0	-99.89	330.90	3.10	-96.79
COC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C)C=C1C(=O)[O-]	REAL300000512997	0	31	-2.0	-105.43	299.85	3.35	-102.08
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000512998	0	37	-2.0	-104.61	327.79	5.93	-98.68
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000512999	0	36	-2.0	-103.20	326.46	5.30	-97.90
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSN=C1C	REAL300000513000	0	33	-2.0	-99.99	302.69	5.02	-94.97
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CSN=C1C	REAL300000513001	0	34	-2.0	-105.18	322.99	3.86	-101.32
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000513002	0	29	-3.0	-171.73	300.97	3.87	-167.86
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000513003	0	34	-2.0	-104.87	316.80	5.20	-99.67
CC1=NSC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000513004	0	27	-2.0	-94.32	275.56	2.44	-91.88
CC1=NSC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000513005	0	33	-2.0	-104.09	314.74	3.06	-101.03
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000513006	0	31	-2.0	-99.57	301.48	2.38	-97.19
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000513007	0	35	-2.0	-87.73	326.20	3.89	-83.84
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000513008	0	27	-2.0	-89.44	300.25	4.13	-85.31
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000513009	0	27	-2.0	-92.94	290.15	3.88	-89.06
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000513010	0	31	-2.0	-85.37	319.67	4.11	-81.26
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000513011	0	34	-2.0	-87.01	323.72	4.27	-82.74
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000513012	0	37	-2.0	-86.58	352.31	4.53	-82.05
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000513013	0	30	-2.0	-91.93	293.27	4.11	-87.82
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000513014	0	40	-2.0	-87.54	366.17	5.20	-82.34
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000513015	0	31	-2.0	-86.36	309.86	3.63	-82.73
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000513016	0	37	-2.0	-86.24	362.12	5.02	-81.22
CCOC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C)C=C1C(=O)[O-]	REAL300000513017	0	34	-2.0	-105.96	321.71	4.27	-101.69
CC1=NSC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000513018	0	27	-2.0	-97.71	282.26	3.18	-94.53
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000513019	0	27	-2.0	-89.69	300.79	4.31	-85.38
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000513020	0	27	-2.0	-85.48	285.61	3.86	-81.62
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000513021	0	27	-2.0	-85.16	288.96	4.00	-81.16
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000513022	0	27	-2.0	-87.47	277.10	3.32	-84.15
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000513023	0	24	-2.0	-88.91	264.83	2.42	-86.49
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000513024	0	27	-2.0	-90.68	278.98	3.35	-87.33
CC1=NSC=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000513025	0	30	-2.0	-98.05	298.31	3.99	-94.06
COC1=CC(S(=O)(=O)[N-]C2=CSN=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000513026	0	31	-2.0	-89.97	312.87	3.91	-86.06
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000513027	0	27	-2.0	-86.82	278.03	3.36	-83.46
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000513028	0	27	-2.0	-85.43	285.07	3.68	-81.75
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000513029	0	30	-2.0	-93.63	302.01	4.49	-89.14
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000513030	0	30	-2.0	-89.22	303.39	4.58	-84.64
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000513031	0	35	-2.0	-85.14	336.29	4.70	-80.44
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000513032	0	27	-2.0	-84.96	288.80	3.79	-81.17
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000513033	0	27	-2.0	-89.23	283.39	3.37	-85.86
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000513034	0	29	-2.0	-85.07	300.75	3.95	-81.12
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000513035	0	28	-2.0	-100.45	282.28	1.00	-99.45
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000513036	0	30	-2.0	-94.47	310.44	4.44	-90.03
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000513037	0	30	-2.0	-91.45	294.72	4.07	-87.38
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000513038	0	27	-2.0	-90.59	293.28	3.81	-86.78
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000513039	0	30	-2.0	-95.20	282.60	3.93	-91.27
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000513040	0	30	-2.0	-94.10	306.03	4.58	-89.52
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000513041	0	30	-2.0	-98.58	297.40	3.93	-94.65
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000513042	0	30	-2.0	-88.23	287.98	4.06	-84.17
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000513043	0	33	-2.0	-102.10	305.44	4.35	-97.75
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000513044	0	29	-2.0	-98.58	299.12	4.38	-94.20
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000513045	0	27	-2.0	-88.75	284.30	3.42	-85.33
CC1=NSC=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000513046	0	24	-2.0	-86.70	285.14	2.99	-83.71
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000513047	0	33	-2.0	-99.52	306.10	4.69	-94.83
CC1=NSC=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000513048	0	30	-2.0	-98.97	297.88	3.99	-94.98
CC1=NSC=C1[N-]S(=O)(=O)C1=C(Cl)C(C)=CC(C(=O)[O-])=C1	REAL300000513049	0	30	-2.0	-97.31	304.34	4.43	-92.88
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000513050	0	30	-2.0	-103.18	297.61	3.97	-99.21
CCC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C)C=C1C(=O)[O-]	REAL300000513051	0	33	-2.0	-100.99	306.89	4.47	-96.52
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000513052	0	27	-2.0	-92.61	293.50	4.02	-88.59
COC1=CC=C(S(=O)(=O)[N-]C2=CSN=C2C)C=C1CC(=O)[O-]	REAL300000513053	0	34	-2.0	-101.34	323.04	3.41	-97.93
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000513054	0	30	-2.0	-88.84	298.82	4.49	-84.35
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000513055	0	30	-2.0	-84.49	302.69	4.09	-80.40
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C(C)=C1	REAL300000513056	0	30	-2.0	-97.17	303.79	4.24	-92.93
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000513057	0	27	-2.0	-92.44	293.87	3.89	-88.55
CC1=NSC=C1[N-]S(=O)(=O)C1=C(Br)C(C)=CC(C(=O)[O-])=C1	REAL300000513058	0	30	-2.0	-97.06	307.15	4.57	-92.49
CCN1C=C(S(=O)(=O)[N-]C2=CSN=C2C)C=C1C(=O)[O-]	REAL300000513059	0	31	-2.0	-99.14	300.58	3.51	-95.63
CC1=NSC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000513060	0	39	-2.0	-99.11	337.71	6.16	-92.95
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000513061	0	27	-2.0	-87.90	294.67	4.05	-83.85
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000513062	0	27	-2.0	-87.81	298.16	3.85	-83.96
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000513063	0	31	-2.0	-86.60	317.27	3.58	-83.02
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000513064	0	30	-2.0	-93.98	306.33	4.35	-89.63
CC1=NSC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000513065	0	36	-2.0	-97.96	322.01	5.43	-92.53
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CSN=C2C)C=C1C(=O)[O-]	REAL300000513066	0	31	-2.0	-101.38	312.89	3.92	-97.46
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000513067	0	30	-2.0	-87.68	288.57	3.83	-83.85
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000513068	0	32	-2.0	-91.97	315.84	5.49	-86.48
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000513069	0	30	-2.0	-99.19	292.10	4.12	-95.07
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000513070	0	29	-2.0	-105.66	296.30	5.15	-100.51
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000513071	0	27	-2.0	-102.64	276.22	3.32	-99.32
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000513072	0	30	-2.0	-92.29	297.52	3.96	-88.33
CC1=NSC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000513073	0	33	-2.0	-107.27	313.60	5.41	-101.86
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CSN=C1C	REAL300000513074	0	31	-2.0	-91.68	300.77	3.09	-88.59
CC1=NSC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000513075	0	24	-2.0	-87.88	272.66	2.28	-85.60
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000513076	0	31	-2.0	-95.13	316.35	3.84	-91.29
CC1=NSC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000513077	0	30	-2.0	-90.43	315.91	0.33	-90.10
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000513078	0	34	-2.0	-94.35	318.69	5.17	-89.18
CC1=NSC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000513079	0	34	-2.0	-95.98	316.65	5.15	-90.83
CCC1=C(S(=O)(=O)[N-]C2=CSN=C2C)C=C(C(=O)[O-])O1	REAL300000513080	0	30	-2.0	-94.28	294.68	3.29	-90.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=CC=C1F	REAL300000513081	1	33	-2.0	-118.89	316.08	3.34	-115.55
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513083	1	33	-2.0	-121.16	311.55	3.31	-117.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=NC(=O)C2=C1	REAL300000513084	0	37	-2.0	-124.80	339.69	3.11	-121.69
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C=C1	REAL300000513085	1	37	-2.0	-108.33	343.01	4.61	-103.72
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513087	0	33	-2.0	-115.36	324.62	3.89	-111.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=CC=C1Cl	REAL300000513088	1	33	-2.0	-117.15	324.06	3.71	-113.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1C	REAL300000513089	1	39	-2.0	-122.24	344.23	4.67	-117.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513090	0	33	-2.0	-117.18	317.03	3.38	-113.80
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C=C1	REAL300000513091	1	39	-2.0	-108.02	355.13	4.90	-103.12
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513092	0	30	-2.0	-115.67	304.74	2.33	-113.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=NC(=O)C2=C1	REAL300000513093	1	36	-2.0	-120.09	326.98	4.11	-115.98
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000513095	1	34	-2.0	-119.85	318.20	2.66	-117.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513097	0	33	-2.0	-112.09	320.66	3.00	-109.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=CS1	REAL300000513099	0	30	-2.0	-117.11	303.20	2.36	-114.75
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513101	1	43	-2.0	-123.85	366.78	5.94	-117.91
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=NC(=O)C2=C1	REAL300000513102	1	42	-2.0	-122.05	365.45	5.33	-116.72
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=NC(=O)C2=C1	REAL300000513103	1	39	-2.0	-117.99	341.69	5.04	-112.95
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=NC(=O)C2=C1	REAL300000513104	0	40	-2.0	-123.48	361.98	3.88	-119.60
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3NC=NC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000513105	0	36	-2.0	-124.03	342.60	3.87	-120.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=CC(C(=O)[O-])=C1	REAL300000513105	1	35	-3.0	-198.03	339.95	3.88	-194.15
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513106	1	40	-2.0	-124.25	355.80	5.21	-119.04
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000513107	0	33	-2.0	-114.31	314.56	2.46	-111.85
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513108	0	37	-2.0	-122.94	340.53	2.40	-120.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C(Cl)C=C1F	REAL300000513109	0	33	-2.0	-112.30	329.14	3.91	-108.39
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=NC(=O)C2=C1	REAL300000513111	1	36	-2.0	-111.33	332.26	4.14	-107.19
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C=C1F	REAL300000513112	1	37	-2.0	-106.80	348.84	3.66	-103.14
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000513114	1	33	-2.0	-116.92	321.24	3.21	-113.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C(Cl)=C1	REAL300000513115	0	33	-2.0	-106.91	324.60	3.87	-103.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C=C1F	REAL300000513116	1	33	-2.0	-108.92	316.06	3.35	-105.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)S1	REAL300000513117	0	30	-2.0	-110.88	303.82	2.44	-108.44
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513118	1	33	-2.0	-112.25	317.95	3.38	-108.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1F	REAL300000513119	0	36	-2.0	-118.54	337.32	4.02	-114.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C(F)=C1	REAL300000513120	0	33	-2.0	-108.92	317.01	3.38	-105.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C=C1Cl	REAL300000513121	1	33	-2.0	-106.91	324.03	3.72	-103.19
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC=NC(=O)C2=C1	REAL300000513122	1	36	-2.0	-112.88	340.99	4.52	-108.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=CC(F)=C1F	REAL300000513123	1	33	-2.0	-110.62	322.38	3.41	-107.21
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513124	1	35	-2.0	-106.63	339.74	3.98	-102.65
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513125	0	34	-2.0	-118.40	321.27	1.03	-117.37
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513125	1	34	-2.0	-120.19	320.48	1.83	-118.36
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C=C1	REAL300000513126	1	36	-2.0	-114.80	333.73	4.10	-110.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=CC(Cl)=C1F	REAL300000513127	1	33	-2.0	-112.04	332.25	3.84	-108.20
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC=NC(=O)C2=C1	REAL300000513128	1	36	-2.0	-118.96	321.10	3.99	-114.97
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000513129	1	36	-2.0	-120.29	336.38	3.96	-116.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=CC=C1[N+](=O)[O-]	REAL300000513132	0	35	-2.0	-120.12	338.11	4.41	-115.71
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513133	0	33	-2.0	-109.41	323.30	3.44	-105.97
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000513135	0	36	-2.0	-119.39	336.87	4.01	-115.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1Cl	REAL300000513136	0	36	-2.0	-117.10	343.29	4.45	-112.65
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513137	0	36	-2.0	-127.97	336.58	4.00	-123.97
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2NC=NC(=O)C2=C1	REAL300000513140	1	36	-2.0	-112.00	337.81	4.50	-107.50
CC1=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000513141	1	36	-2.0	-118.96	342.77	4.27	-114.69
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000513142	1	37	-2.0	-121.07	339.56	3.53	-117.54
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000513143	1	36	-2.0	-116.00	345.29	4.38	-111.62
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1[N+](=O)[O-]	REAL300000513146	0	35	-2.0	-130.50	335.30	5.17	-125.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1F	REAL300000513147	0	33	-2.0	-127.18	315.21	3.35	-123.83
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000513148	1	36	-2.0	-114.19	336.49	3.99	-110.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=CC2=CC=CC=C21	REAL300000513149	1	39	-2.0	-129.50	352.59	5.43	-124.07
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C1	REAL300000513150	0	32	-2.0	-116.27	308.54	1.37	-114.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC=NC(=O)C2=C1	REAL300000513151	0	37	-2.0	-113.16	339.75	3.12	-110.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)=C(Cl)O1	REAL300000513152	0	30	-2.0	-108.79	311.70	2.29	-106.50
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4NC=NC(=O)C4=C3)C=C2)CC1	REAL300000513153	1	40	-2.0	-114.58	357.67	5.20	-109.38
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4NC=NC(=O)C4=C3)C=C2C1	REAL300000513154	1	40	-2.0	-121.05	357.02	5.20	-115.85
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC=NC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000513155	0	36	-2.0	-113.74	333.68	3.31	-110.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)=CC=C1F	REAL300000513156	1	38	-2.0	-118.18	356.89	5.62	-112.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)C=C1	REAL300000513157	1	38	-2.0	-108.19	352.32	5.60	-102.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)=C1	REAL300000513158	1	38	-2.0	-121.61	352.34	5.59	-116.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)C=C1C(=O)[O-]	REAL300000513159	1	41	-2.0	-122.69	368.78	6.14	-116.55
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)=C1	REAL300000513160	0	38	-2.0	-118.32	357.82	5.65	-112.67
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)=C1	REAL300000513161	0	35	-2.0	-115.48	345.52	4.61	-110.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2C(=O)CCC2=O)=C1	REAL300000513162	1	41	-2.0	-121.84	367.77	6.37	-115.47
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)C=C1C(=O)[O-]	REAL300000513163	0	39	-2.0	-119.78	358.99	4.95	-114.83
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)=C1	REAL300000513164	0	38	-2.0	-111.12	361.46	5.27	-105.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)=CS1	REAL300000513165	0	35	-2.0	-116.61	343.97	4.62	-111.99
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000513166	0	38	-2.0	-114.41	355.37	4.73	-109.68
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)C=C(C(=O)[O-])S1	REAL300000513167	0	38	-2.0	-117.91	362.03	5.48	-112.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)C=C1F	REAL300000513168	1	38	-2.0	-107.68	356.86	5.63	-102.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)S1	REAL300000513169	0	35	-2.0	-109.85	344.60	4.72	-105.13
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)=C1	REAL300000513170	1	38	-2.0	-112.14	358.75	5.66	-106.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)C(F)=C1	REAL300000513171	0	38	-2.0	-107.84	357.80	5.66	-102.18
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)=C1	REAL300000513172	0	39	-2.0	-120.40	362.04	3.31	-117.09
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(N3C(=O)CCC3=O)=C2)=C1	REAL300000513172	1	39	-2.0	-119.96	360.96	4.15	-115.81
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)C=C1	REAL300000513173	1	41	-2.0	-111.73	374.52	6.37	-105.36
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C(=O)CCC2=O)=C1	REAL300000513174	1	41	-2.0	-117.58	362.44	6.23	-111.35
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2C(=O)CCC2=O)=C1	REAL300000513175	1	41	-2.0	-108.33	367.75	6.36	-101.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)C=C1C(=O)[O-]	REAL300000513176	0	42	-2.0	-121.06	380.35	5.81	-115.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)=CC=C1C(=O)[O-]	REAL300000513177	1	41	-2.0	-108.64	368.78	6.15	-102.49
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)=C1F	REAL300000513178	0	38	-2.0	-125.70	356.00	5.63	-120.07
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)=C1	REAL300000513179	0	37	-2.0	-117.82	349.32	3.64	-114.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)=C(Cl)O1	REAL300000513180	0	35	-2.0	-108.35	352.48	4.57	-103.78
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3C(=O)CCC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000513181	0	41	-2.0	-114.23	374.47	5.58	-108.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)=CC=C1F	REAL300000513182	1	38	-2.0	-116.47	356.93	5.61	-110.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)C=C1	REAL300000513183	1	38	-2.0	-106.31	352.35	5.59	-100.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)=C1	REAL300000513184	1	38	-2.0	-119.15	352.39	5.57	-113.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)C=C1C(=O)[O-]	REAL300000513185	1	41	-2.0	-121.82	372.46	6.24	-115.58
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)=C1	REAL300000513186	0	38	-2.0	-116.41	357.86	5.64	-110.77
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)=C1	REAL300000513187	0	35	-2.0	-113.21	345.56	4.60	-108.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C(=O)CCC2=O)C=C1	REAL300000513188	1	41	-2.0	-120.24	367.81	6.36	-113.88
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)C=C1C(=O)[O-]	REAL300000513189	0	39	-2.0	-117.42	359.03	4.94	-112.48
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)=C1	REAL300000513190	0	38	-2.0	-109.23	361.51	5.26	-103.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)=CS1	REAL300000513191	0	35	-2.0	-114.71	344.03	4.61	-110.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000513192	0	38	-2.0	-112.81	355.41	4.72	-108.09
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)C=C(C(=O)[O-])S1	REAL300000513193	1	38	-2.0	-116.46	360.99	5.47	-110.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)C=C1F	REAL300000513194	1	38	-2.0	-105.73	356.91	5.62	-100.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)S1	REAL300000513195	0	35	-2.0	-108.01	344.64	4.70	-103.31
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)=C1	REAL300000513196	1	38	-2.0	-109.83	358.79	5.65	-104.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)C(F)=C1	REAL300000513197	0	38	-2.0	-105.78	357.84	5.65	-100.13
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)=C1	REAL300000513198	0	39	-2.0	-119.14	362.09	3.30	-115.84
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3C(=O)CCC3=O)C=C2)=C1	REAL300000513198	1	39	-2.0	-118.06	360.98	4.15	-113.91
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)C=C1	REAL300000513199	1	41	-2.0	-109.95	374.54	6.37	-103.58
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C(=O)CCC2=O)C=C1	REAL300000513200	1	41	-2.0	-116.21	364.91	6.28	-109.93
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)C=C1C(=O)[O-]	REAL300000513202	0	42	-2.0	-118.71	380.40	5.80	-112.91
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)=CC=C1C(=O)[O-]	REAL300000513203	1	41	-2.0	-106.42	368.19	6.13	-100.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)=C1F	REAL300000513204	0	38	-2.0	-123.34	356.00	5.61	-117.73
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)=C1	REAL300000513205	0	37	-2.0	-116.78	348.60	3.72	-113.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)=C(Cl)O1	REAL300000513206	0	35	-2.0	-106.54	352.53	4.57	-101.97
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CCC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000513207	0	41	-2.0	-112.70	374.50	5.58	-107.12
CNC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000513208	1	38	-2.0	-101.30	353.65	-1.07	-102.37
CNC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000513209	1	38	-2.0	-112.70	353.64	-1.07	-113.77
CNC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000513210	1	41	-2.0	-114.34	369.72	-0.55	-114.89
CNC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000513211	0	35	-2.0	-109.35	346.90	-2.05	-111.40
CNC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000513212	1	41	-2.0	-117.62	369.14	-0.30	-117.92
CNC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000513213	0	39	-2.0	-113.01	360.30	-1.72	-114.73
CNC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000513214	0	35	-2.0	-109.10	345.37	-2.04	-111.14
CNC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000513215	0	38	-2.0	-109.45	356.66	-1.92	-111.37
CNC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000513216	0	35	-2.0	-103.13	345.97	-1.94	-105.07
CNC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000513217	1	41	-2.0	-105.82	375.84	-0.29	-106.11
CNC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000513218	1	41	-2.0	-109.21	363.73	-0.45	-109.66
CNC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000513219	1	41	-2.0	-101.51	369.06	-0.30	-101.81
CNC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000513220	1	41	-2.0	-101.85	369.72	-0.54	-102.39
CNC1=CC=C(S(N)(=O)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000513221	0	37	-2.0	-113.04	350.62	-3.00	-116.04
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC([N+](=O)[O-])=C1	REAL300000513222	0	40	-2.0	-89.92	371.76	4.94	-84.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513223	1	33	-2.0	-105.96	319.82	6.38	-99.58
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC([N+](=O)[O-])=C1	REAL300000513224	0	41	-2.0	-108.46	374.91	7.44	-101.02
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC([N+](=O)[O-])=C1	REAL300000513225	1	33	-2.0	-96.00	315.28	6.36	-89.64
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513226	1	33	-2.0	-108.66	315.29	6.34	-102.32
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC([N+](=O)[O-])=C1	REAL300000513227	0	37	-2.0	-115.42	343.43	6.15	-109.27
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC([N+](=O)[O-])=C1	REAL300000513228	1	37	-2.0	-96.01	346.75	7.65	-88.36
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513229	1	36	-2.0	-109.82	331.30	6.89	-102.93
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC([N+](=O)[O-])=C1	REAL300000513230	0	33	-2.0	-105.36	328.35	6.93	-98.43
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513231	1	33	-2.0	-104.41	327.79	6.74	-97.67
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC([N+](=O)[O-])=C1	REAL300000513232	1	39	-2.0	-113.41	347.96	7.70	-105.71
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC([N+](=O)[O-])=C1	REAL300000513233	0	33	-2.0	-106.97	320.76	6.42	-100.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC([N+](=O)[O-])=C1	REAL300000513234	1	39	-2.0	-95.04	358.87	7.94	-87.10
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC([N+](=O)[O-])=C1	REAL300000513235	0	30	-2.0	-102.83	308.47	5.37	-97.46
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC([N+](=O)[O-])=C1	REAL300000513236	1	36	-2.0	-111.26	330.72	7.14	-104.12
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC([N+](=O)[O-])=C1	REAL300000513237	1	37	-2.0	-94.58	346.37	6.64	-87.94
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513238	0	34	-2.0	-106.81	321.93	5.71	-101.10
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CC([N+](=O)[O-])=C1	REAL300000513239	1	37	-2.0	-111.47	339.49	5.17	-106.30
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC(C)=C2)=C1	REAL300000513240	0	33	-2.0	-98.96	324.40	6.04	-92.92
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC([N+](=O)[O-])=C1	REAL300000513241	1	39	-2.0	-112.56	346.75	7.68	-104.88
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513242	0	30	-2.0	-104.22	306.94	5.40	-98.82
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=CC([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1OC	REAL300000513243	1	41	-2.0	-108.67	373.62	6.16	-102.51
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000513244	1	37	-2.0	-114.44	342.58	6.42	-108.02
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC([N+](=O)[O-])=C1	REAL300000513245	1	43	-2.0	-115.11	370.52	8.98	-106.13
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC([N+](=O)[O-])=C1	REAL300000513246	1	42	-2.0	-113.58	369.19	8.35	-105.23
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC([N+](=O)[O-])=C1	REAL300000513247	1	39	-2.0	-110.04	345.42	8.08	-101.96
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC([N+](=O)[O-])=C1	REAL300000513248	0	40	-2.0	-116.23	365.72	6.92	-109.31
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513249	0	36	-2.0	-112.23	346.15	6.92	-105.31
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513249	1	35	-3.0	-183.27	343.69	6.91	-176.36
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC([N+](=O)[O-])=C1	REAL300000513250	1	40	-2.0	-115.41	359.53	8.25	-107.16
CC1=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC(C)=C2)C=C(C(=O)[O-])O1	REAL300000513251	0	33	-2.0	-103.54	318.29	5.50	-98.04
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513252	1	39	-2.0	-113.26	357.46	6.13	-107.13
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC([N+](=O)[O-])=C1	REAL300000513253	0	37	-2.0	-109.15	344.27	5.44	-103.71
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=CC([N+](=O)[O-])=C1	REAL300000513254	1	41	-2.0	-95.97	368.93	6.96	-89.01
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC([N+](=O)[O-])=C1	REAL300000513255	0	33	-2.0	-101.90	332.88	6.95	-94.95
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CC([N+](=O)[O-])=C1	REAL300000513256	1	40	-2.0	-95.08	366.44	7.33	-87.75
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC([N+](=O)[O-])=C1	REAL300000513257	0	36	-2.0	-101.33	336.00	7.17	-94.16
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC([N+](=O)[O-])=C1	REAL300000513258	1	37	-2.0	-94.00	352.58	6.69	-87.31
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000513259	1	40	-2.0	-115.13	364.42	7.33	-107.80
CC1=C(S(=O)(=O)[N-]C2=CC([N+](=O)[O-])=CC(C)=C2)C=C(C(=O)[O-])S1	REAL300000513260	0	33	-2.0	-107.16	324.98	6.24	-100.92
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC([N+](=O)[O-])=C1	REAL300000513261	0	33	-2.0	-93.40	328.34	6.91	-86.49
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC([N+](=O)[O-])=C1	REAL300000513262	1	33	-2.0	-95.39	319.81	6.39	-89.00
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC([N+](=O)[O-])=C1	REAL300000513263	0	30	-2.0	-97.73	307.56	5.48	-92.25
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513264	0	33	-2.0	-99.34	321.69	6.41	-92.93
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC([N+](=O)[O-])=C1	REAL300000513265	0	36	-2.0	-108.37	341.06	7.06	-101.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC([N+](=O)[O-])=C1	REAL300000513266	0	33	-2.0	-95.15	320.75	6.42	-88.73
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC([N+](=O)[O-])=C1	REAL300000513267	1	33	-2.0	-93.46	327.78	6.76	-86.70
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC([N+](=O)[O-])=C1	REAL300000513268	1	36	-2.0	-103.19	344.73	7.56	-95.63
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC([N+](=O)[O-])=C1	REAL300000513269	0	41	-2.0	-92.74	379.03	7.76	-84.98
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513270	0	33	-2.0	-97.38	326.11	6.45	-90.93
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513271	0	35	-2.0	-93.47	343.48	7.01	-86.46
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC([N+](=O)[O-])=C1	REAL300000513272	0	34	-2.0	-110.63	325.01	4.07	-106.56
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC([N+](=O)[O-])=C1	REAL300000513273	1	36	-2.0	-99.39	337.47	7.14	-92.25
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513274	1	33	-2.0	-98.80	335.99	6.88	-91.92
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC([N+](=O)[O-])=C1	REAL300000513275	1	36	-2.0	-103.64	325.33	6.98	-96.66
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513276	1	36	-2.0	-107.26	340.12	7.00	-100.26
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC([N+](=O)[O-])=C1	REAL300000513277	1	36	-2.0	-96.55	330.70	7.12	-89.43
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513278	1	39	-2.0	-112.92	352.09	7.51	-105.41
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513279	0	35	-2.0	-106.79	341.84	7.45	-99.34
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC([N+](=O)[O-])=C1	REAL300000513280	0	33	-2.0	-98.16	327.04	6.48	-91.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC([N+](=O)[O-])=C1	REAL300000513281	1	39	-2.0	-107.90	349.77	7.74	-100.16
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC([N+](=O)[O-])=C1	REAL300000513282	0	36	-2.0	-109.32	340.60	7.05	-102.27
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC([N+](=O)[O-])=C1	REAL300000513283	0	36	-2.0	-107.12	347.03	7.49	-99.63
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC([N+](=O)[O-])=C1	REAL300000513284	0	36	-2.0	-111.98	340.32	7.05	-104.93
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000513285	1	39	-2.0	-110.60	349.25	7.53	-103.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC([N+](=O)[O-])=C2)C=C1CC(=O)[O-]	REAL300000513286	1	40	-2.0	-111.55	365.75	6.47	-105.08
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC([N+](=O)[O-])=C1	REAL300000513287	1	36	-2.0	-97.14	341.55	7.53	-89.61
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513288	1	36	-2.0	-106.10	346.51	7.30	-98.80
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000513289	0	37	-2.0	-108.08	343.31	6.57	-101.51
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=CC([N+](=O)[O-])=C1	REAL300000513290	1	45	-2.0	-108.92	380.20	9.21	-99.71
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513291	1	36	-2.0	-102.82	349.03	7.41	-95.41
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513292	0	42	-2.0	-106.94	364.73	8.49	-98.45
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC([N+](=O)[O-])=C1	REAL300000513293	1	36	-2.0	-96.10	331.29	6.90	-89.20
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000513294	0	38	-2.0	-100.03	358.55	8.55	-91.48
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC([N+](=O)[O-])=C1	REAL300000513295	1	36	-2.0	-108.49	335.24	7.18	-101.31
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000513296	0	35	-2.0	-114.50	339.03	8.20	-106.30
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC([N+](=O)[O-])=C1	REAL300000513297	0	33	-2.0	-111.27	318.95	6.39	-104.88
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513298	1	36	-2.0	-101.04	340.22	7.03	-94.01
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513299	1	39	-2.0	-116.90	356.32	8.47	-108.43
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC([N+](=O)[O-])=C1	REAL300000513300	0	32	-2.0	-107.58	312.27	4.41	-103.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC([N+](=O)[O-])=C1	REAL300000513301	0	37	-2.0	-100.36	343.49	6.15	-94.21
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300000513302	0	30	-2.0	-96.76	315.43	5.33	-91.43
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC([N+](=O)[O-])=C1	REAL300000513303	1	40	-2.0	-103.35	361.42	8.24	-95.11
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC([N+](=O)[O-])=C1	REAL300000513304	1	40	-2.0	-104.71	360.73	8.23	-96.48
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC([N+](=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000513305	0	36	-2.0	-103.66	337.42	6.35	-97.31
N#CC1=NC=CN=C1OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000513307	1	38	-2.0	-109.98	367.36	3.80	-106.18
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=NC=CN=C3C#N)C=C2)C=C1C(=O)[O-]	REAL300000513308	1	39	-2.0	-108.25	374.01	3.16	-105.09
N#CC1=NC=CN=C1OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000513309	0	37	-2.0	-105.95	363.56	1.92	-104.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)[C@@H]2OCC[C@@H]2C2=CC=CC=C2)C=C1	REAL300000513326	0	43	-2.0	-103.06	362.98	6.05	-97.01
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)[C@@H]2OCC[C@@H]2C2=CC=CC=C2)=C1	REAL300000513327	0	43	-2.0	-115.14	362.84	6.05	-109.09
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)[C@@H]2OCC[C@@H]2C2=CC=CC=C2)=C1	REAL300000513328	0	40	-2.0	-109.82	356.02	5.07	-104.75
CN1C=C(S(=O)(=O)[N-]NC(=O)[C@@H]2OCC[C@@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000513329	0	44	-2.0	-113.90	369.64	5.39	-108.51
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)[C@@H]2OCC[C@@H]2C2=CC=CC=C2)=CS1	REAL300000513330	0	40	-2.0	-111.07	354.65	5.08	-105.99
CC1=C(S(=O)(=O)[N-]NC(=O)[C@@H]2OCC[C@@H]2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300000513331	0	43	-2.0	-108.32	367.67	5.15	-103.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)[C@@H]2OCC[C@@H]2C2=CC=CC=C2)S1	REAL300000513332	0	40	-2.0	-104.82	366.01	3.63	-101.19
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)[C@@H]2OCC[C@@H]2C2=CC=CC=C2)=C1	REAL300000513333	0	42	-2.0	-109.88	359.81	4.10	-105.78
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000513334	1	36	-2.0	-97.78	337.84	6.39	-91.39
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000513336	1	36	-2.0	-99.77	333.31	6.36	-93.41
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1F	REAL300000513337	0	40	-2.0	-105.48	361.45	6.16	-99.32
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1F	REAL300000513338	1	40	-2.0	-88.65	364.76	7.66	-80.99
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1F	REAL300000513340	0	36	-2.0	-96.25	346.38	6.93	-89.32
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000513341	1	36	-2.0	-95.92	345.81	6.75	-89.17
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1F	REAL300000513342	1	42	-2.0	-103.75	365.99	7.72	-96.03
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000513343	0	36	-2.0	-97.27	338.79	6.42	-90.85
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000513344	1	42	-2.0	-87.78	376.87	7.95	-79.83
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000513345	0	33	-2.0	-94.44	326.49	5.38	-89.06
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1F	REAL300000513346	1	39	-2.0	-101.80	348.74	7.15	-94.65
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000513348	1	37	-2.0	-98.36	339.96	5.71	-92.65
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1F	REAL300000513350	0	36	-2.0	-90.78	342.42	6.05	-84.73
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000513352	0	33	-2.0	-95.84	324.96	5.39	-90.45
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1F	REAL300000513354	1	45	-2.0	-103.68	387.21	8.36	-95.32
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=CC=C1F	REAL300000513355	1	42	-2.0	-100.68	363.46	8.09	-92.59
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=CC=C1F	REAL300000513356	0	43	-2.0	-104.96	383.74	6.92	-98.04
CCC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000513357	0	39	-2.0	-111.04	364.19	6.93	-104.11
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000513357	1	38	-3.0	-171.90	361.71	6.93	-164.97
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1F	REAL300000513358	1	43	-2.0	-105.37	377.58	8.27	-97.10
CCC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000513359	0	36	-2.0	-95.05	336.31	5.51	-89.54
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000513360	0	40	-2.0	-100.68	362.29	5.45	-95.23
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1F	REAL300000513362	1	39	-2.0	-92.69	354.02	7.19	-85.50
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1F	REAL300000513363	1	40	-2.0	-87.11	370.60	6.71	-80.40
CCC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000513365	1	36	-2.0	-98.40	341.91	6.25	-92.15
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1F	REAL300000513366	0	36	-2.0	-86.13	346.36	6.92	-79.21
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000513367	1	36	-2.0	-88.22	337.82	6.40	-81.82
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000513368	0	33	-2.0	-89.71	325.58	5.49	-84.22
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000513369	1	36	-2.0	-91.14	339.71	6.43	-84.71
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1F	REAL300000513370	0	39	-2.0	-98.56	359.07	7.07	-91.49
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000513371	0	36	-2.0	-87.33	338.77	6.43	-80.90
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300000513372	1	36	-2.0	-86.10	345.79	6.76	-79.34
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1F	REAL300000513373	1	39	-2.0	-94.27	362.75	7.56	-86.71
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000513374	1	36	-2.0	-89.83	344.13	6.45	-83.38
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000513375	1	38	-2.0	-85.59	361.50	7.03	-78.56
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000513376	0	37	-2.0	-101.03	343.02	4.07	-96.96
CCC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000513376	1	37	-2.0	-101.13	332.06	4.95	-96.18
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000513377	1	39	-2.0	-92.03	355.47	7.15	-84.88
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000513378	1	39	-2.0	-95.61	343.38	7.00	-88.61
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000513379	1	39	-2.0	-98.97	358.14	7.01	-91.96
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300000513382	0	38	-2.0	-99.25	359.87	7.46	-91.79
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1F	REAL300000513383	0	36	-2.0	-89.17	345.06	6.49	-82.68
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1F	REAL300000513385	0	39	-2.0	-98.16	354.79	6.97	-91.19
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1F	REAL300000513386	0	39	-2.0	-97.85	365.07	7.50	-90.35
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000513387	0	39	-2.0	-103.41	358.32	7.05	-96.36
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000513390	1	39	-2.0	-90.20	363.85	7.62	-82.58
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000513391	1	39	-2.0	-97.51	364.53	7.32	-90.19
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=CC=C1F	REAL300000513392	1	40	-2.0	-99.47	361.34	6.57	-92.90
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000513393	1	39	-2.0	-94.30	367.05	7.44	-86.86
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1F	REAL300000513396	0	38	-2.0	-105.84	357.04	8.21	-97.63
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000513397	0	36	-2.0	-102.76	336.93	6.39	-96.37
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000513398	1	39	-2.0	-92.59	358.25	7.05	-85.54
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000513399	0	35	-2.0	-97.76	330.30	4.42	-93.34
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1F	REAL300000513400	0	40	-2.0	-92.26	361.51	6.16	-86.10
CCC(=O)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000513401	0	33	-2.0	-88.76	333.46	5.35	-83.41
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1F	REAL300000513402	1	43	-2.0	-95.04	379.43	8.25	-86.79
CCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1F	REAL300000513403	1	43	-2.0	-96.59	378.75	8.25	-88.34
CCC(=O)C1=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000513404	0	39	-2.0	-95.16	355.44	6.35	-88.81
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1	REAL300000513405	0	34	-3.0	-190.05	348.27	-1.25	-191.30
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC=C1F	REAL300000513406	0	27	-3.0	-212.26	296.37	0.20	-212.06
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CS1	REAL300000513407	0	35	-3.0	-211.55	351.44	1.28	-210.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1	REAL300000513408	0	27	-3.0	-199.31	291.80	0.17	-199.14
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513409	0	27	-3.0	-217.69	291.82	0.17	-217.52
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CS1	REAL300000513410	0	31	-3.0	-222.84	319.96	-0.02	-222.86
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1	REAL300000513411	0	31	-3.0	-197.10	323.26	1.46	-195.64
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1C(=O)[O-]	REAL300000513412	0	30	-3.0	-220.44	307.86	0.70	-219.74
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513413	0	27	-3.0	-209.29	304.89	0.72	-208.57
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC=C1Cl	REAL300000513414	0	27	-3.0	-211.95	304.32	0.56	-211.39
O=C([O-])C1=C(Cl)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513415	0	27	-3.0	-203.40	317.38	1.09	-202.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1C	REAL300000513416	0	33	-3.0	-217.76	324.49	1.43	-216.33
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513417	0	27	-3.0	-213.77	297.29	0.23	-213.54
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1	REAL300000513418	0	33	-3.0	-197.10	335.38	1.76	-195.34
O=C([O-])C1=CSC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513419	0	24	-3.0	-208.93	285.00	-0.81	-209.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CS1	REAL300000513420	0	30	-3.0	-215.02	307.25	0.93	-214.09
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1	REAL300000513421	0	31	-3.0	-195.91	322.88	0.45	-195.46
CN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1C(=O)[O-]	REAL300000513422	0	28	-3.0	-214.93	298.47	-0.49	-215.42
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CS1	REAL300000513423	0	31	-3.0	-214.95	316.02	-1.04	-215.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513424	0	27	-3.0	-203.68	300.93	-0.15	-203.83
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1C(=O)[O-]	REAL300000513425	0	33	-3.0	-217.67	322.88	1.43	-216.24
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CS1	REAL300000513426	0	24	-3.0	-210.92	283.47	-0.81	-211.73
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC(C(=O)[O-])=C1OC	REAL300000513427	0	35	-3.0	-217.38	350.07	-0.02	-217.40
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1C(=O)[O-]	REAL300000513428	0	31	-3.0	-223.74	319.10	0.23	-223.51
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513429	0	37	-3.0	-222.27	347.05	2.70	-219.57
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CS1	REAL300000513430	0	36	-3.0	-219.19	345.71	2.13	-217.06
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CS1	REAL300000513431	0	33	-3.0	-210.80	321.99	1.67	-209.13
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CS1	REAL300000513432	0	34	-3.0	-222.24	342.25	0.73	-221.51
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC(C(=O)[O-])=C1	REAL300000513433	0	29	-4.0	-311.45	320.23	0.72	-310.73
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513434	0	34	-3.0	-222.64	336.07	2.04	-220.60
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C(C(=O)[O-])O1	REAL300000513435	0	27	-3.0	-204.43	294.83	-0.69	-205.12
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC2=C1OCCO2	REAL300000513436	0	33	-3.0	-223.22	333.99	-0.06	-223.28
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513437	0	31	-3.0	-219.71	320.80	-0.74	-220.45
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NC=CS3)C=C2C1	REAL300000513438	0	35	-3.0	-199.81	345.44	0.79	-199.02
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC(Cl)=C1Cl	REAL300000513439	0	27	-3.0	-204.16	319.50	1.02	-203.14
O=C([O-])C1=C(F)C=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513440	0	27	-3.0	-203.19	309.40	0.74	-202.45
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1Cl	REAL300000513441	0	31	-3.0	-193.02	338.93	0.99	-192.03
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC=C1OCC(=O)[O-]	REAL300000513442	0	34	-3.0	-196.86	342.97	1.16	-195.70
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CS1	REAL300000513443	0	30	-3.0	-203.45	312.52	0.96	-202.49
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC=C1OCCCC(=O)[O-]	REAL300000513444	0	40	-3.0	-195.59	385.41	2.09	-193.50
O=C([O-])COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1F	REAL300000513445	0	31	-3.0	-193.36	329.13	0.51	-192.85
CCOC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1C(=O)[O-]	REAL300000513446	0	34	-3.0	-224.57	340.95	1.14	-223.43
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C(C(=O)[O-])S1	REAL300000513447	0	27	-3.0	-209.33	300.44	0.06	-209.27
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513448	0	27	-3.0	-201.78	320.03	1.16	-200.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C(Cl)=C1	REAL300000513449	0	27	-3.0	-195.57	304.86	0.71	-194.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1F	REAL300000513450	0	27	-3.0	-197.05	296.34	0.21	-196.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)S1	REAL300000513451	0	24	-3.0	-201.61	284.09	-0.70	-202.31
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513452	0	27	-3.0	-206.03	298.22	0.23	-205.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1F	REAL300000513453	0	30	-3.0	-216.32	317.58	0.87	-215.45
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C(Cl)C=C1C(=O)[O-]	REAL300000513454	0	31	-3.0	-200.16	332.12	0.77	-199.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C(F)=C1	REAL300000513455	0	27	-3.0	-200.16	297.30	0.24	-199.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1Cl	REAL300000513456	0	27	-3.0	-196.06	304.31	0.57	-195.49
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CS1	REAL300000513457	0	30	-3.0	-205.58	321.26	1.34	-204.24
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1	REAL300000513458	0	35	-3.0	-192.48	355.56	1.58	-190.90
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC(F)=C1F	REAL300000513459	0	27	-3.0	-201.34	302.65	0.26	-201.08
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513460	0	29	-3.0	-198.52	320.01	0.84	-197.68
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513461	0	28	-3.0	-212.23	301.53	-2.11	-214.34
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1	REAL300000513462	0	30	-3.0	-203.86	313.98	0.95	-202.91
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC(Cl)=C1F	REAL300000513463	0	27	-3.0	-203.67	312.53	0.70	-202.97
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CS1	REAL300000513464	0	30	-3.0	-215.40	301.36	0.76	-214.64
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC(C(=O)[O-])=C1F	REAL300000513465	0	30	-3.0	-214.60	316.67	0.82	-213.78
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CS1	REAL300000513466	0	30	-3.0	-198.25	307.23	0.92	-197.33
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC(C(=O)[O-])=C1C	REAL300000513467	0	33	-3.0	-224.28	329.31	1.37	-222.91
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC=C1[N+](=O)[O-]	REAL300000513468	0	29	-3.0	-209.68	318.39	1.25	-208.43
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513469	0	27	-3.0	-203.69	303.57	0.29	-203.40
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C(C)=C1C(=O)[O-]	REAL300000513470	0	33	-3.0	-220.21	326.29	1.54	-218.67
CC1=CC(F)=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1C(=O)[O-]	REAL300000513471	0	30	-3.0	-216.27	313.29	0.77	-215.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1Cl	REAL300000513472	0	30	-3.0	-212.30	323.58	1.28	-211.02
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513473	0	30	-3.0	-227.18	316.83	0.86	-226.32
CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1C(=O)[O-]	REAL300000513474	0	33	-3.0	-221.53	326.10	1.35	-220.18
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1CC(=O)[O-]	REAL300000513475	0	34	-3.0	-223.74	342.29	0.30	-223.44
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CS1	REAL300000513476	0	30	-3.0	-206.34	318.08	1.26	-205.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1C(F)(F)F	REAL300000513477	0	30	-3.0	-194.43	321.93	0.98	-193.45
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC(C(=O)[O-])=C1Cl	REAL300000513478	0	30	-3.0	-214.77	323.06	1.13	-213.64
CCN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1C(=O)[O-]	REAL300000513479	0	31	-3.0	-217.00	319.85	0.39	-216.61
CC1=CC(C)=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C(C)=C1CC(=O)[O-]	REAL300000513480	0	39	-3.0	-216.59	356.81	2.99	-213.60
O=C([O-])C1=C(F)C(Cl)=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513481	0	27	-3.0	-199.95	317.40	0.72	-199.23
CC1=C(Cl)C=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1C(=O)[O-]	REAL300000513482	0	30	-3.0	-212.01	325.56	1.23	-210.78
CC(C)(C)C1=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C(C(=O)[O-])S1	REAL300000513483	0	36	-3.0	-208.30	341.54	2.07	-206.23
COC1=CC(Cl)=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1C(=O)[O-]	REAL300000513484	0	31	-3.0	-214.86	332.13	0.77	-214.09
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC=C1C(=O)[O-]	REAL300000513485	0	30	-3.0	-200.35	307.82	0.71	-199.64
O=C([O-])CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C([N+](=O)[O-])=C1	REAL300000513486	0	32	-3.0	-211.42	332.53	2.22	-209.20
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CS1	REAL300000513487	0	30	-3.0	-209.42	311.77	0.96	-208.46
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC=C1	REAL300000513488	0	29	-3.0	-228.64	315.56	2.01	-226.63
O=C([O-])C1=C(F)C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC=C1	REAL300000513489	0	27	-3.0	-225.51	295.48	0.20	-225.31
CC1=C(F)C=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C1C(=O)[O-]	REAL300000513490	0	30	-3.0	-209.46	316.75	0.84	-208.62
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=CC2=CC=CC=C21	REAL300000513491	0	33	-3.0	-229.11	332.86	2.30	-226.81
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C1	REAL300000513492	0	26	-3.0	-215.78	288.03	-1.71	-217.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NC=CS1	REAL300000513493	0	31	-3.0	-205.61	320.02	-0.02	-205.63
O=C([O-])C1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)=C(Cl)O1	REAL300000513494	0	24	-3.0	-198.03	291.95	-0.87	-198.90
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NC=CS3)C=C2)CC1	REAL300000513495	0	34	-3.0	-206.75	337.94	2.05	-204.70
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-][N-]C(=O)C3=NC=CS3)C=C2C1	REAL300000513496	0	34	-3.0	-218.72	337.27	2.06	-216.66
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NC=CS2)C=C(C(=O)[O-])O1	REAL300000513497	0	30	-3.0	-203.92	313.97	0.09	-203.83
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000513498	0	37	-2.0	-80.13	343.72	2.50	-77.63
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000513499	1	30	-2.0	-94.89	291.79	3.93	-90.96
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1C	REAL300000513500	0	38	-2.0	-96.29	346.88	5.01	-91.28
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000513501	0	30	-2.0	-92.28	303.68	4.62	-87.66
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000513502	1	30	-2.0	-85.52	287.24	3.92	-81.60
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000513503	0	30	-2.0	-96.75	287.26	3.90	-92.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1C	REAL300000513504	0	34	-2.0	-101.78	315.40	3.71	-98.07
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000513505	0	30	-2.0	-92.50	303.50	4.39	-88.11
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000513506	1	34	-2.0	-85.71	318.71	5.21	-80.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)C=C1C(=O)[O-]	REAL300000513507	1	33	-2.0	-97.63	303.28	4.44	-93.19
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000513508	0	30	-2.0	-92.75	300.33	4.47	-88.28
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000513509	0	30	-2.0	-92.97	299.76	4.29	-88.68
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000513510	0	30	-2.0	-88.76	312.83	4.86	-83.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)=C1C	REAL300000513511	1	36	-2.0	-99.83	319.65	5.21	-94.62
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000513512	0	30	-2.0	-93.81	292.73	3.98	-89.83
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000513513	0	36	-2.0	-84.75	330.82	5.49	-79.26
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000513514	0	27	-2.0	-91.64	280.45	2.94	-88.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1C	REAL300000513515	1	33	-2.0	-98.08	302.69	4.69	-93.39
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000513516	1	34	-2.0	-84.36	318.32	4.20	-80.16
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000513517	1	41	-2.0	-80.91	364.09	4.97	-75.94
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000513518	0	27	-2.0	-88.96	297.47	3.69	-85.27
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000513519	0	31	-2.0	-95.36	293.91	3.26	-92.10
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1C	REAL300000513520	1	34	-2.0	-98.90	311.04	2.74	-96.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)=C1	REAL300000513521	0	30	-2.0	-87.84	296.37	3.59	-84.25
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)C=C1C(=O)[O-]	REAL300000513522	1	36	-2.0	-99.09	318.70	5.22	-93.87
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000513523	0	27	-2.0	-92.98	278.90	2.94	-90.04
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)=CC(C(=O)[O-])=C1OC	REAL300000513524	1	38	-2.0	-97.35	345.58	3.71	-93.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)C=C1C(=O)[O-]	REAL300000513525	1	34	-2.0	-102.69	314.55	3.97	-98.72
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000513526	1	40	-2.0	-101.24	342.49	6.53	-94.71
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000513527	1	39	-2.0	-99.88	341.16	5.91	-93.97
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1C	REAL300000513528	1	36	-2.0	-96.80	316.84	5.61	-91.19
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1C	REAL300000513529	0	37	-2.0	-101.52	337.69	4.48	-97.04
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000513530	0	32	-3.0	-169.08	315.66	4.48	-164.60
CC1=NC(F)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000513530	1	33	-2.0	-107.09	315.83	4.47	-102.62
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000513531	1	37	-2.0	-101.55	331.50	5.80	-95.75
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)C=C(C(=O)[O-])O1	REAL300000513532	0	30	-2.0	-91.71	290.27	3.04	-88.67
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000513533	1	36	-2.0	-101.44	329.42	3.67	-97.77
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)=C1	REAL300000513534	0	34	-2.0	-97.37	316.18	3.00	-94.37
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000513535	1	38	-2.0	-84.57	340.17	4.51	-80.06
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000513536	0	30	-2.0	-87.01	314.93	4.75	-82.26
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000513537	0	30	-2.0	-90.07	304.85	4.51	-85.56
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000513538	1	34	-2.0	-83.23	334.35	4.73	-78.50
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)=CC=C1OCC(=O)[O-]	REAL300000513539	1	37	-2.0	-84.68	338.41	4.89	-79.79
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000513540	0	40	-2.0	-84.50	367.01	5.15	-79.35
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000513541	0	33	-2.0	-89.19	307.97	4.72	-84.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)=CC=C1OCCCC(=O)[O-]	REAL300000513542	1	43	-2.0	-85.17	380.87	5.82	-79.35
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000513543	0	34	-2.0	-84.31	324.55	4.25	-80.06
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)C=C1C(=O)[O-]	REAL300000513544	1	37	-2.0	-103.31	336.39	4.88	-98.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)C=C(C(=O)[O-])S1	REAL300000513545	0	30	-2.0	-94.72	296.95	3.79	-90.93
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000513546	0	30	-2.0	-86.85	315.49	4.93	-81.92
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000513547	0	30	-2.0	-83.27	300.32	4.47	-78.80
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000513548	0	30	-2.0	-82.95	303.67	4.61	-78.34
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000513549	0	30	-2.0	-85.38	291.79	3.94	-81.44
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000513550	0	27	-2.0	-86.89	279.51	3.03	-83.86
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000513551	0	30	-2.0	-88.16	293.66	3.97	-84.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)=C1F	REAL300000513552	0	33	-2.0	-95.02	313.01	4.62	-90.40
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000513553	0	34	-2.0	-87.90	327.56	4.53	-83.37
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000513554	0	30	-2.0	-84.53	292.71	3.98	-80.55
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000513555	1	30	-2.0	-83.23	299.76	4.31	-78.92
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000513556	0	33	-2.0	-90.76	316.70	5.10	-85.66
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000513557	0	38	-2.0	-82.96	350.99	5.32	-77.64
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000513558	1	30	-2.0	-82.75	303.50	4.40	-78.35
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000513559	0	30	-2.0	-86.99	298.07	3.99	-83.00
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000513560	0	32	-2.0	-82.81	315.44	4.57	-78.24
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000513561	0	31	-2.0	-97.14	296.97	1.62	-95.52
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000513562	0	33	-2.0	-88.68	309.43	4.69	-83.99
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000513563	0	30	-2.0	-88.17	307.96	4.43	-83.74
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000513564	1	33	-2.0	-93.00	297.30	4.53	-88.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)=CC(C(=O)[O-])=C1F	REAL300000513565	1	33	-2.0	-96.02	312.10	4.55	-91.47
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1C	REAL300000513566	1	33	-2.0	-85.94	302.67	4.67	-81.27
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)=CC(C(=O)[O-])=C1C	REAL300000513567	1	36	-2.0	-100.65	324.76	5.09	-95.56
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000513568	0	32	-2.0	-96.42	313.82	5.00	-91.42
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000513569	0	30	-2.0	-85.91	298.99	4.03	-81.88
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000513570	0	27	-2.0	-84.79	299.84	3.59	-81.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)C(C)=C1C(=O)[O-]	REAL300000513571	1	36	-2.0	-97.28	320.79	5.32	-91.96
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)C=C1C(=O)[O-]	REAL300000513572	0	33	-2.0	-95.87	312.57	4.61	-91.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)=C1Cl	REAL300000513573	0	33	-2.0	-94.30	319.02	5.05	-89.25
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)=C1	REAL300000513574	0	33	-2.0	-100.85	312.30	4.59	-96.26
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)C=C1C(=O)[O-]	REAL300000513575	1	36	-2.0	-98.26	321.58	5.09	-93.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)C=C1CC(=O)[O-]	REAL300000513576	1	37	-2.0	-99.06	337.73	4.03	-95.03
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000513577	0	33	-2.0	-86.66	313.52	5.08	-81.58
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000513578	1	33	-2.0	-82.48	317.37	4.72	-77.76
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000513579	0	33	-2.0	-94.52	318.49	4.86	-89.66
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000513580	0	30	-2.0	-89.85	308.54	4.52	-85.33
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)C=C1C(=O)[O-]	REAL300000513581	0	34	-2.0	-96.52	315.27	4.13	-92.39
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)C(C)=C1CC(=O)[O-]	REAL300000513582	1	42	-2.0	-96.77	352.41	6.78	-89.99
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000513583	0	30	-2.0	-85.14	312.85	4.47	-80.67
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000513584	0	34	-2.0	-84.43	331.96	4.20	-80.23
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000513585	1	33	-2.0	-91.35	321.03	4.97	-86.38
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000513586	0	39	-2.0	-94.70	337.14	6.00	-88.70
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)C=C1C(=O)[O-]	REAL300000513587	0	34	-2.0	-98.39	327.57	4.54	-93.85
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)=CC=C1C(=O)[O-]	REAL300000513588	1	33	-2.0	-85.44	303.27	4.45	-80.99
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000513589	0	35	-2.0	-89.56	330.51	6.09	-83.47
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1C	REAL300000513590	1	33	-2.0	-96.31	306.79	4.74	-91.57
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000513591	0	32	-2.0	-103.46	311.00	5.75	-97.71
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000513592	0	30	-2.0	-100.32	290.89	3.93	-96.39
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000513593	0	33	-2.0	-89.75	312.21	4.58	-85.17
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000513594	0	36	-2.0	-104.45	328.30	6.03	-98.42
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000513595	0	29	-2.0	-94.14	284.24	1.97	-92.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)N=C1C	REAL300000513596	0	34	-2.0	-89.14	315.46	3.71	-85.43
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000513597	0	27	-2.0	-85.71	287.37	2.88	-82.83
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000513598	1	34	-2.0	-92.62	331.04	4.45	-88.17
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000513599	0	33	-2.0	-88.24	330.61	0.94	-87.30
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000513600	0	37	-2.0	-91.85	333.38	5.79	-86.06
CC1=NC(F)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000513601	0	37	-2.0	-93.84	331.34	5.77	-88.07
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)N=C2C)C=C(C(=O)[O-])O1	REAL300000513602	0	33	-2.0	-91.63	309.38	3.90	-87.73
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513603	1	44	-2.0	-130.85	387.16	6.72	-124.13
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C(C(=O)[O-])=C1	REAL300000513606	0	38	-2.0	-135.18	340.91	6.34	-128.84
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000513607	0	41	-2.0	-95.12	364.18	5.72	-89.40
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C(C(=O)[O-])=C1	REAL300000513608	0	37	-2.0	-115.72	344.25	4.71	-111.01
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000513609	1	39	-2.0	-122.65	353.23	6.46	-116.19
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C(C(=O)[O-])=C1	REAL300000513610	1	39	-2.0	-118.10	353.19	6.45	-111.65
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C(C(=O)[O-])=C1	REAL300000513611	0	38	-2.0	-124.29	354.63	6.65	-117.64
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000513612	0	39	-2.0	-134.02	350.48	6.37	-127.65
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000513613	0	41	-2.0	-101.43	364.36	6.63	-94.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000513614	1	43	-2.0	-125.29	376.17	7.25	-118.04
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513615	0	41	-2.0	-121.79	348.62	3.90	-117.89
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000513617	0	41	-2.0	-103.04	359.76	6.61	-96.43
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513618	0	46	-2.0	-135.48	390.11	5.14	-130.34
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513621	0	40	-2.0	-117.18	345.46	5.02	-112.16
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000513622	0	41	-2.0	-116.41	359.16	6.57	-109.84
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000513622	1	40	-3.0	-204.40	360.84	6.62	-197.78
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000513623	1	38	-2.0	-116.15	345.08	6.18	-109.97
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513624	1	41	-2.0	-129.05	353.81	6.73	-122.32
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000513626	1	38	-2.0	-123.71	349.13	6.58	-117.13
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1	REAL300000513627	1	43	-2.0	-125.81	373.61	6.47	-119.34
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000513630	1	38	-2.0	-116.41	354.99	6.63	-109.78
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513631	1	43	-2.0	-137.98	373.64	6.47	-131.51
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513633	0	44	-2.0	-140.10	378.56	7.46	-132.64
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C(C(=O)[O-])=C1	REAL300000513637	0	35	-2.0	-118.90	341.38	5.68	-113.22
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513639	0	42	-2.0	-134.46	360.63	5.86	-128.60
CC1=CC=C(S(=O)(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000513640	0	44	-2.0	-121.53	379.51	7.25	-114.28
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C(C(=O)[O-])=C1	REAL300000513641	0	38	-2.0	-122.62	350.45	6.25	-116.37
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000513642	0	38	-2.0	-127.74	345.53	6.63	-121.11
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000513643	1	40	-2.0	-123.59	360.63	6.74	-116.85
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513644	1	43	-2.0	-119.18	376.11	7.52	-111.66
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C(C(=O)[O-])=C1	REAL300000513645	0	35	-2.0	-124.17	324.32	5.08	-119.09
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000513647	0	40	-2.0	-140.16	353.74	7.51	-132.65
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000513650	0	38	-2.0	-123.38	344.30	6.19	-117.19
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000513651	1	38	-2.0	-123.85	338.81	6.13	-117.72
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000513652	1	38	-2.0	-116.12	345.21	6.21	-109.91
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C(C(=O)[O-])=C1	REAL300000513656	1	38	-2.0	-120.28	349.13	6.58	-113.70
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000513657	1	40	-2.0	-113.97	360.59	6.73	-107.24
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300000513658	1	38	-2.0	-127.91	332.37	6.06	-121.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])S1	REAL300000513660	0	38	-2.0	-126.79	346.22	5.86	-120.93
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513661	0	42	-2.0	-125.60	377.38	6.39	-119.21
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(=O)[O-])=C1	REAL300000513662	0	40	-3.0	-198.24	366.33	6.69	-191.55
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(=O)[O-])=C1	REAL300000513662	1	41	-2.0	-110.53	364.47	6.26	-104.27
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513663	1	43	-2.0	-123.67	370.21	7.32	-116.35
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C(C(=O)[O-])=C1	REAL300000513664	0	38	-2.0	-126.08	344.30	6.19	-119.89
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C(C(=O)[O-])=C1	REAL300000513665	1	42	-2.0	-121.39	368.15	2.88	-118.51
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(=O)[O-])=C1	REAL300000513668	0	37	-3.0	-196.89	354.04	5.65	-191.24
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C(C(=O)[O-])=C1	REAL300000513669	1	41	-2.0	-120.83	364.14	3.57	-117.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513671	0	44	-2.0	-97.95	373.45	7.38	-90.57
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513672	0	44	-2.0	-126.07	369.09	5.09	-120.98
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1	REAL300000513673	1	44	-2.0	-121.74	387.17	6.73	-115.01
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1	REAL300000513674	1	45	-2.0	-126.15	388.81	4.34	-121.81
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C(C(=O)[O-])=C1	REAL300000513675	1	42	-2.0	-125.91	366.88	2.84	-123.07
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(C(=O)[O-])=C1	REAL300000513677	1	44	-2.0	-132.02	378.32	8.34	-123.68
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=CS1	REAL300000513678	0	41	-2.0	-135.82	371.97	6.38	-129.44
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C(C(=O)[O-])=C1	REAL300000513683	0	38	-2.0	-132.85	337.88	6.13	-126.72
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513684	0	44	-2.0	-140.87	385.27	4.65	-136.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C(Cl)=C1	REAL300000513686	1	41	-2.0	-126.81	366.93	7.30	-119.51
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C(C(=O)[O-])=C1	REAL300000513688	0	38	-2.0	-117.68	351.92	6.71	-110.97
CC(C)OC1=CC=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000513690	0	42	-2.0	-116.39	367.37	5.97	-110.42
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000513690	1	41	-3.0	-202.27	367.49	5.98	-196.29
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C(C(=O)[O-])=C1	REAL300000513691	0	38	-2.0	-134.29	349.88	5.63	-128.66
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C(C(=O)[O-])=C1	REAL300000513692	0	43	-2.0	-124.78	374.30	2.22	-122.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1F	REAL300000513694	1	42	-2.0	-123.05	368.12	5.44	-117.61
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2)C(C(=O)[O-])=C1	REAL300000513698	0	38	-2.0	-123.51	336.94	3.78	-119.73
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513699	1	43	-2.0	-112.10	376.10	7.52	-104.58
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=CN1C	REAL300000513701	0	46	-2.0	-125.67	396.19	3.71	-121.96
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513702	1	41	-2.0	-121.15	364.61	7.37	-113.78
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513705	0	40	-3.0	-192.31	369.99	6.31	-186.00
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000513706	1	39	-2.0	-114.73	368.61	6.87	-107.86
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C(C(=O)[O-])=C1	REAL300000513707	1	39	-2.0	-115.40	368.62	6.87	-108.53
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000513708	1	42	-2.0	-131.60	370.76	6.43	-125.17
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C(C(=O)[O-])=C1	REAL300000513710	0	38	-2.0	-128.61	354.05	6.64	-121.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1F	REAL300000513711	1	41	-2.0	-124.59	359.12	6.77	-117.82
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513713	0	41	-2.0	-133.45	359.31	6.79	-126.66
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513714	1	41	-2.0	-121.06	354.28	6.92	-114.14
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513716	0	43	-2.0	-141.55	366.44	8.40	-133.15
CC(C)OC1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000513717	0	38	-2.0	-101.06	352.05	5.64	-95.42
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000513717	1	37	-3.0	-198.55	352.49	5.66	-192.89
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000513718	0	40	-2.0	-130.76	360.11	7.57	-123.19
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000513719	0	40	-2.0	-135.55	365.79	7.45	-128.10
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513722	0	42	-2.0	-125.91	363.58	4.44	-121.47
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513722	1	42	-2.0	-113.83	359.11	5.37	-108.46
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C(C(=O)[O-])=C1	REAL300000513723	0	35	-2.0	-119.11	313.97	2.47	-116.64
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])S1	REAL300000513724	0	41	-2.0	-119.54	380.28	5.83	-113.71
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C(C(=O)[O-])=C1	REAL300000513725	1	42	-2.0	-118.27	370.19	6.43	-111.84
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000513726	0	38	-2.0	-123.93	347.32	6.42	-117.51
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000513727	0	40	-3.0	-191.73	363.85	5.77	-185.96
CC1=C(S(=O)(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000513727	1	41	-2.0	-98.02	361.74	5.34	-92.68
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C(C(=O)[O-])=C1	REAL300000513728	0	41	-2.0	-148.85	360.59	5.26	-143.59
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513729	0	48	-2.0	-136.08	403.92	7.45	-128.63
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000513730	0	40	-2.0	-142.58	357.53	7.65	-134.93
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C(C(=O)[O-])=C1	REAL300000513731	0	37	-2.0	-117.25	333.78	4.35	-112.90
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513732	0	41	-2.0	-124.36	380.44	5.73	-118.63
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)C(C(=O)[O-])=C1	REAL300000513733	1	43	-2.0	-129.16	368.57	6.50	-122.66
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C)C=N2)C(C(=O)[O-])=C1	REAL300000513734	0	38	-2.0	-134.31	336.41	5.17	-129.14
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(OC(C)C)C=C3C(=O)[O-])C=C12	REAL300000513736	0	42	-2.0	-116.40	372.15	3.04	-113.36
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C(C(=O)[O-])=C1	REAL300000513737	0	38	-2.0	-114.29	348.33	4.59	-109.70
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C(C(=O)[O-])=C1	REAL300000513738	0	38	-2.0	-131.12	344.17	6.19	-124.93
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C(C(=O)[O-])=C1	REAL300000513739	0	44	-2.0	-134.05	375.53	5.70	-128.35
CC1=NC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=CN1C	REAL300000513740	0	41	-2.0	-141.18	356.09	4.95	-136.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=N1	REAL300000513741	0	41	-2.0	-122.78	358.47	4.63	-118.15
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513742	1	45	-2.0	-129.50	387.47	5.79	-123.71
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C(C(=O)[O-])=C1	REAL300000513743	1	43	-2.0	-126.71	368.36	5.36	-121.35
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000513744	0	38	-2.0	-121.58	351.93	6.70	-114.88
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513747	0	38	-2.0	-121.34	332.80	3.11	-118.23
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513748	1	42	-2.0	-130.10	361.90	5.36	-124.74
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2)C(C(=O)[O-])=C1	REAL300000513750	0	38	-2.0	-133.58	337.22	3.60	-129.98
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C)C(C(=O)[O-])=C1	REAL300000513751	0	38	-2.0	-118.85	332.64	3.70	-115.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C(F)=C1	REAL300000513757	0	41	-2.0	-131.81	359.30	6.81	-125.00
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C(C(=O)[O-])=C1	REAL300000513759	0	35	-2.0	-132.80	313.68	3.46	-129.34
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])O1	REAL300000513760	0	41	-2.0	-120.92	371.94	4.85	-116.07
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C(C(=O)[O-])=C1	REAL300000513761	0	43	-2.0	-144.41	372.33	6.70	-137.71
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C(C(=O)[O-])=C1	REAL300000513762	0	38	-2.0	-116.02	350.57	6.26	-109.76
CC1=C(S(=O)(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000513763	0	41	-2.0	-100.19	367.42	6.09	-94.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000513763	1	40	-3.0	-195.16	369.46	6.52	-188.64
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513764	0	42	-2.0	-127.95	375.00	5.93	-122.02
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=CN=C1Cl	REAL300000513765	0	40	-2.0	-117.04	363.04	5.29	-111.75
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513766	0	44	-2.0	-134.35	390.54	3.66	-130.69
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513769	0	50	-2.0	-126.36	411.51	6.68	-119.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])SC=C1	REAL300000513770	0	38	-2.0	-126.69	340.63	5.89	-120.80
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1C	REAL300000513771	0	47	-2.0	-125.31	390.90	5.98	-119.33
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300000513772	1	43	-2.0	-115.20	376.18	7.23	-107.97
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513775	1	42	-2.0	-120.60	368.66	7.24	-113.36
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000513776	1	50	-2.0	-123.45	381.49	8.59	-114.86
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513777	1	42	-2.0	-117.44	368.64	7.22	-110.22
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000513780	0	39	-2.0	-120.97	358.69	6.53	-114.44
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(OC(C)C)C=C3C(=O)[O-])C=C2O1	REAL300000513781	1	43	-2.0	-125.55	376.05	3.72	-121.83
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000513782	0	44	-2.0	-123.58	377.15	5.16	-118.42
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=N1	REAL300000513785	0	44	-2.0	-131.20	391.75	4.84	-126.36
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C(C(=O)[O-])=C1	REAL300000513786	0	44	-2.0	-133.29	376.20	4.52	-128.77
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C(C(=O)[O-])=C1	REAL300000513789	1	38	-2.0	-109.31	351.38	6.26	-103.05
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=CN1C	REAL300000513791	0	45	-2.0	-130.05	393.54	6.16	-123.89
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000513792	0	41	-2.0	-102.30	364.31	6.64	-95.66
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000513792	1	40	-3.0	-187.02	365.35	6.66	-180.36
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(=O)[O-])=C1	REAL300000513794	0	37	-3.0	-190.45	353.10	5.75	-184.70
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513795	0	47	-2.0	-133.79	396.94	7.05	-126.74
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000513796	0	41	-2.0	-96.31	365.56	6.63	-89.68
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000513796	1	40	-3.0	-193.99	367.26	6.69	-187.30
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=CN1	REAL300000513797	0	42	-2.0	-126.75	375.78	4.41	-122.34
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000513798	0	40	-3.0	-188.61	366.32	6.70	-181.91
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)[O-])=C1	REAL300000513798	1	41	-2.0	-108.28	364.05	6.25	-102.03
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513799	1	41	-2.0	-122.48	353.19	6.88	-115.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=CS1	REAL300000513800	0	41	-2.0	-125.56	379.65	5.75	-119.81
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])S1	REAL300000513801	0	40	-2.0	-124.25	357.62	4.63	-119.62
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C(C(=O)[O-])=C1	REAL300000513802	1	42	-2.0	-130.65	374.66	7.24	-123.41
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513803	1	44	-2.0	-129.43	375.27	7.50	-121.93
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513804	1	41	-2.0	-124.33	360.20	6.79	-117.54
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513806	0	44	-2.0	-122.62	390.29	5.52	-117.10
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C(F)C=C1F	REAL300000513807	0	41	-2.0	-122.81	364.58	6.84	-115.97
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300000513808	1	44	-2.0	-137.47	373.45	8.38	-129.09
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C(C(=O)[O-])=C1	REAL300000513809	0	40	-2.0	-124.56	364.38	5.55	-119.01
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(=O)[O-])=C1	REAL300000513810	0	41	-3.0	-195.44	370.57	4.34	-191.10
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000513810	1	41	-3.0	-179.74	365.72	4.75	-174.99
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000513812	0	44	-2.0	-100.89	382.03	7.39	-93.50
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300000513812	1	43	-3.0	-189.81	383.04	7.41	-182.40
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])O1	REAL300000513813	0	44	-2.0	-121.30	393.80	5.79	-115.51
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000513814	0	40	-2.0	-115.04	367.02	6.80	-108.24
COC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])SC=C1	REAL300000513816	0	39	-2.0	-133.14	354.57	4.34	-128.80
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(C(=O)[O-])=C1	REAL300000513817	0	41	-2.0	-131.19	362.16	6.46	-124.73
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C(C(=O)[O-])=C1	REAL300000513818	0	38	-2.0	-116.25	347.38	5.01	-111.24
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C(C(=O)[O-])=C1	REAL300000513819	0	38	-2.0	-130.10	352.58	4.90	-125.20
COC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=CC(OC)=C1	REAL300000513820	1	46	-2.0	-130.47	391.37	4.68	-125.79
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C(C(=O)[O-])=C1	REAL300000513821	0	39	-2.0	-132.29	348.23	4.81	-127.48
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C(C(=O)[O-])=C1	REAL300000513822	0	39	-2.0	-116.14	354.63	3.90	-112.24
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])S1	REAL300000513823	0	37	-2.0	-123.04	340.91	3.89	-119.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513824	0	44	-2.0	-119.73	369.57	7.32	-112.41
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513826	0	44	-2.0	-101.55	374.63	7.43	-94.12
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C(C(=O)[O-])=C1	REAL300000513827	0	39	-2.0	-122.62	361.68	6.74	-115.88
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1F	REAL300000513828	0	41	-2.0	-126.42	364.57	6.84	-119.58
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C(C(=O)[O-])=C1	REAL300000513831	0	44	-2.0	-135.13	377.84	6.45	-128.68
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=N1	REAL300000513832	0	43	-2.0	-116.63	383.12	4.91	-111.72
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513833	1	46	-2.0	-138.16	395.48	7.33	-130.83
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=N1	REAL300000513834	0	45	-2.0	-120.98	392.14	3.68	-117.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000513835	0	43	-2.0	-133.77	382.73	6.91	-126.86
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1C#N	REAL300000513837	0	42	-2.0	-136.85	369.63	6.86	-129.99
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000513838	0	47	-2.0	-126.92	405.38	7.72	-119.20
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513839	0	44	-2.0	-133.57	379.72	6.83	-126.74
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C(C(=O)[O-])=C1	REAL300000513840	0	46	-2.0	-122.33	390.43	3.82	-118.51
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1F	REAL300000513841	0	41	-2.0	-133.29	358.21	6.79	-126.50
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=N1	REAL300000513842	1	44	-2.0	-120.16	381.42	3.69	-116.47
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C(C(=O)[O-])=C1	REAL300000513843	0	45	-2.0	-137.86	378.17	6.11	-131.75
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1	REAL300000513844	1	45	-2.0	-126.99	387.44	5.80	-121.19
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513845	0	43	-2.0	-126.77	371.64	3.05	-123.72
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1Cl	REAL300000513846	0	41	-2.0	-127.98	364.25	7.21	-120.77
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C(C)O1	REAL300000513848	0	41	-2.0	-124.11	355.36	5.64	-118.47
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513850	1	45	-2.0	-125.77	379.01	6.11	-119.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])O1	REAL300000513852	0	38	-2.0	-126.21	336.99	4.89	-121.32
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513853	0	41	-2.0	-127.34	366.04	6.49	-120.85
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300000513855	0	40	-2.0	-111.77	365.11	6.76	-105.01
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000513856	1	38	-2.0	-116.61	355.53	6.66	-109.95
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C(C)O1	REAL300000513857	0	44	-2.0	-118.55	390.21	5.62	-112.93
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C(C(=O)[O-])=C1	REAL300000513858	0	37	-2.0	-117.53	344.12	4.77	-112.76
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])N=C1C	REAL300000513859	0	44	-2.0	-137.96	378.01	5.86	-132.10
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513860	0	41	-2.0	-128.47	366.94	7.29	-121.18
CCN1C=C(S(=O)(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000513861	0	45	-2.0	-117.93	389.32	6.88	-111.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000513861	1	44	-3.0	-204.10	388.89	6.85	-197.25
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513862	0	41	-2.0	-124.30	372.28	4.82	-119.48
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513863	0	50	-2.0	-127.61	411.88	6.62	-120.99
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000513864	0	38	-2.0	-131.35	348.43	6.86	-124.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C(Cl)=N1	REAL300000513865	0	40	-2.0	-126.45	362.28	5.38	-121.07
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513866	0	43	-2.0	-123.13	381.43	6.26	-116.87
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])S1	REAL300000513867	0	40	-2.0	-122.75	362.42	4.64	-118.11
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C(C(=O)[O-])=C1	REAL300000513869	0	39	-2.0	-117.70	366.28	7.02	-110.68
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C(C(=O)[O-])=C1	REAL300000513870	0	41	-2.0	-137.79	360.31	6.37	-131.42
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513871	0	43	-2.0	-122.95	382.33	4.92	-118.03
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513872	1	48	-2.0	-135.66	395.95	7.82	-127.84
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513876	0	38	-2.0	-118.84	361.38	6.30	-112.54
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000513877	1	41	-2.0	-128.13	364.56	6.93	-121.20
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C(C(=O)[O-])=C1	REAL300000513878	0	41	-2.0	-121.30	370.32	4.96	-116.34
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513879	1	42	-2.0	-133.12	368.49	7.13	-125.99
COC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=CC=C1F	REAL300000513881	1	42	-2.0	-119.41	368.12	5.44	-113.97
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C(C(=O)[O-])=C1	REAL300000513882	0	37	-2.0	-133.59	345.09	6.46	-127.13
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C(C(=O)[O-])=C1	REAL300000513883	0	35	-2.0	-125.52	315.06	4.05	-121.47
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C)C(C(=O)[O-])=C1	REAL300000513884	0	37	-2.0	-113.31	326.86	2.47	-110.84
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C(C(=O)[O-])=C1	REAL300000513885	1	43	-2.0	-121.53	376.75	5.19	-116.34
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000513886	0	37	-2.0	-116.02	353.54	5.84	-110.18
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C(C(=O)[O-])=C1	REAL300000513887	0	42	-2.0	-129.95	360.39	5.50	-124.45
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C(C(=O)[O-])=C1	REAL300000513888	0	39	-2.0	-120.29	366.32	7.02	-113.27
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513890	0	46	-2.0	-142.13	386.38	6.57	-135.56
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513892	0	41	-2.0	-131.83	352.14	7.05	-124.78
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C(C(=O)[O-])=C1	REAL300000513893	0	42	-2.0	-142.73	370.77	6.14	-136.59
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C(C(=O)[O-])=C1	REAL300000513895	0	39	-2.0	-134.75	357.17	4.37	-130.38
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513896	0	41	-2.0	-123.99	356.95	3.54	-120.45
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])S1	REAL300000513900	0	41	-2.0	-130.39	377.34	3.55	-126.84
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])S1	REAL300000513900	1	40	-3.0	-198.57	374.03	2.43	-196.14
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C(C(=O)[O-])=C1	REAL300000513901	1	42	-2.0	-130.31	357.14	7.39	-122.92
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C(C(=O)[O-])=C1	REAL300000513902	1	42	-2.0	-130.21	374.61	7.23	-122.98
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C(N)=NO1	REAL300000513904	0	39	-2.0	-116.89	339.91	3.44	-113.45
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513905	0	42	-2.0	-129.33	377.38	6.38	-122.95
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000513906	1	39	-2.0	-121.18	359.91	4.83	-116.35
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513908	1	45	-2.0	-127.45	377.36	6.15	-121.30
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C(C(=O)[O-])=C1	REAL300000513910	0	36	-2.0	-114.74	344.93	5.62	-109.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=N1	REAL300000513911	1	40	-2.0	-123.50	348.99	4.91	-118.59
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C(C(=O)[O-])=C1	REAL300000513912	0	43	-2.0	-128.38	373.58	6.43	-121.95
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=CC=C1C#N	REAL300000513913	1	42	-2.0	-118.36	372.35	6.95	-111.41
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000513914	0	37	-2.0	-111.39	350.13	4.74	-106.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C(F)=C1	REAL300000513916	0	42	-2.0	-130.10	367.38	5.42	-124.68
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C(C(=O)[O-])=C1	REAL300000513918	1	41	-2.0	-125.15	366.54	7.00	-118.15
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])N(C)N=C1	REAL300000513920	0	41	-2.0	-119.04	349.26	4.53	-114.51
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C(C(=O)[O-])=C1	REAL300000513922	0	36	-2.0	-116.26	336.31	4.62	-111.64
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C(C(=O)[O-])=C1	REAL300000513923	1	35	-2.0	-122.98	323.48	4.97	-118.01
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=COC=C2)C(C(=O)[O-])=C1	REAL300000513924	0	35	-2.0	-122.36	314.92	3.96	-118.40
CC1=CC(S(=O)(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000513925	0	44	-2.0	-103.14	375.25	7.14	-96.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=N1	REAL300000513926	1	41	-2.0	-120.00	359.57	2.76	-117.24
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C(C(=O)[O-])=C1	REAL300000513927	0	38	-2.0	-126.38	354.61	6.65	-119.73
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513928	1	49	-2.0	-122.96	410.49	7.24	-115.72
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000513929	0	41	-2.0	-130.06	368.91	7.43	-122.63
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000513930	0	41	-2.0	-131.85	359.01	4.69	-127.16
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513931	1	45	-2.0	-130.34	383.76	6.29	-124.05
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(OC(C)C)C=C3C(=O)[O-])C=C2C=C1	REAL300000513933	1	47	-2.0	-131.69	399.69	9.00	-122.69
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C(C(=O)[O-])=C1	REAL300000513934	0	35	-2.0	-122.44	340.36	5.51	-116.93
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513935	0	38	-2.0	-125.75	345.96	5.72	-120.03
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C(C(=O)[O-])=C1	REAL300000513936	0	35	-2.0	-121.48	330.66	2.88	-118.60
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C(C(=O)[O-])=C1	REAL300000513937	0	37	-2.0	-122.08	339.30	4.18	-117.90
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(OC(C)C)=CN=C2)C(C(=O)[O-])=C1	REAL300000513938	0	47	-2.0	-121.94	396.87	5.13	-116.81
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000513939	1	47	-2.0	-120.81	401.54	4.62	-116.19
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(C(=O)[O-])=C1	REAL300000513941	0	41	-2.0	-124.15	368.58	6.53	-117.62
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513942	0	43	-2.0	-137.26	373.06	5.66	-131.60
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000513943	0	37	-2.0	-119.05	340.87	4.36	-114.69
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C(C(=O)[O-])=C1	REAL300000513947	0	35	-2.0	-124.16	330.69	5.10	-119.06
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C(C(=O)[O-])=C1	REAL300000513948	1	39	-2.0	-114.72	359.08	6.50	-108.22
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C(C(=O)[O-])=C1	REAL300000513952	0	35	-2.0	-131.36	314.00	2.65	-128.71
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000513953	0	43	-2.0	-132.14	369.39	2.98	-129.16
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])S1	REAL300000513954	0	41	-2.0	-128.42	362.49	6.69	-121.73
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C1	REAL300000513955	0	39	-2.0	-114.70	355.75	4.93	-109.77
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513956	1	40	-2.0	-116.77	359.96	5.45	-111.32
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=NN1C	REAL300000513960	0	41	-2.0	-122.84	353.04	4.29	-118.55
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513962	0	41	-2.0	-125.01	355.79	4.42	-120.59
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000513963	0	38	-2.0	-115.67	348.25	4.66	-111.01
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300000513966	0	38	-2.0	-122.84	348.06	3.59	-119.25
COC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=CC=C1Cl	REAL300000513968	1	42	-2.0	-120.34	377.93	5.92	-114.42
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C(C(=O)[O-])=C1	REAL300000513969	0	42	-2.0	-133.82	383.97	2.71	-131.11
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000513970	0	40	-3.0	-215.20	364.48	6.65	-208.55
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)[O-])=C1	REAL300000513970	1	41	-2.0	-120.62	362.25	6.20	-114.42
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C(C(=O)[O-])=C1	REAL300000513971	0	40	-2.0	-137.96	363.58	5.50	-132.46
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C(C(=O)[O-])=C1	REAL300000513972	1	43	-2.0	-130.60	368.18	5.90	-124.70
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513974	0	41	-2.0	-128.11	359.48	7.55	-120.56
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C(C(=O)[O-])=C1	REAL300000513975	0	43	-2.0	-139.03	368.70	5.88	-133.15
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C(F)=C1	REAL300000513980	0	41	-2.0	-134.60	362.29	7.02	-127.58
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C(C(=O)[O-])=C1	REAL300000513981	1	43	-2.0	-125.97	376.26	4.52	-121.45
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513983	0	42	-2.0	-129.19	367.06	5.91	-123.28
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000513984	0	37	-2.0	-116.28	329.33	4.02	-112.26
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=CC=C1Cl	REAL300000513985	1	41	-2.0	-121.66	367.86	7.16	-114.50
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C(C(=O)[O-])=C1	REAL300000513986	1	44	-2.0	-137.20	380.50	7.05	-130.15
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C(C(=O)[O-])=C1	REAL300000513988	0	37	-2.0	-130.71	332.88	4.25	-126.46
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C(C(=O)[O-])=C1	REAL300000513991	0	37	-2.0	-114.64	333.79	4.23	-110.41
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C(C(=O)[O-])=C1	REAL300000513993	0	36	-2.0	-129.89	342.80	5.46	-124.43
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C(C(=O)[O-])=C1	REAL300000513996	1	38	-2.0	-116.95	354.99	6.63	-110.32
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C(C(=O)[O-])=C1	REAL300000513997	0	46	-2.0	-137.86	384.59	7.27	-130.59
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000514003	1	45	-2.0	-137.57	388.32	3.51	-134.06
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])N(C)N=C1	REAL300000514005	0	44	-2.0	-125.93	381.63	5.15	-120.78
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])N1C	REAL300000514007	0	41	-2.0	-124.99	351.74	5.04	-119.95
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])O1	REAL300000514010	0	44	-2.0	-122.20	389.83	5.43	-116.77
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000514011	0	41	-2.0	-123.09	372.14	5.58	-117.51
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C(C(=O)[O-])=C1	REAL300000514012	0	37	-2.0	-122.90	349.78	4.67	-118.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C(F)=C1F	REAL300000514014	0	41	-2.0	-131.65	364.46	6.84	-124.81
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])OC=C1	REAL300000514015	0	41	-2.0	-134.31	364.53	5.53	-128.78
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000514016	0	40	-2.0	-139.08	359.48	5.04	-134.04
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C(C)=N1	REAL300000514017	0	50	-2.0	-124.68	420.29	6.82	-117.86
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(=O)[O-])=C1	REAL300000514018	0	39	-3.0	-202.71	357.07	4.75	-197.96
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000514019	0	42	-2.0	-120.48	361.24	6.05	-114.43
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C(C(=O)[O-])=C1	REAL300000514020	1	39	-2.0	-114.96	359.61	6.54	-108.42
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C(C(=O)[O-])=C1	REAL300000514021	0	40	-2.0	-138.09	355.56	5.26	-132.83
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C(C(=O)[O-])=C1	REAL300000514021	1	40	-2.0	-125.89	355.65	5.11	-120.78
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000514022	0	42	-2.0	-136.66	366.15	6.03	-130.63
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000514023	0	48	-2.0	-125.45	393.39	6.18	-119.27
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000514024	0	50	-2.0	-122.59	397.89	6.60	-115.99
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C(C(=O)[O-])=C1	REAL300000514026	0	48	-2.0	-125.55	399.80	6.41	-119.14
CC(C)OC1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C(C(=O)[O-])=C1	REAL300000514028	0	39	-2.0	-107.37	342.89	4.16	-103.21
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C(C(=O)[O-])=C1	REAL300000514028	1	39	-2.0	-120.28	348.58	3.82	-116.46
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000514030	0	41	-2.0	-140.34	363.42	3.71	-136.63
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000514031	0	44	-2.0	-122.18	371.49	5.12	-117.06
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1F	REAL300000514032	1	43	-2.0	-125.47	377.39	6.53	-118.94
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C(C(=O)[O-])=C1	REAL300000514033	0	38	-2.0	-118.67	337.61	3.43	-115.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C(C#N)=C1	REAL300000514034	0	42	-2.0	-134.29	371.89	7.02	-127.27
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000514035	0	42	-2.0	-132.98	364.08	7.30	-125.68
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C(C(=O)[O-])=C1	REAL300000514037	1	45	-2.0	-130.01	396.12	8.02	-121.99
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000514039	0	38	-2.0	-116.07	351.65	1.86	-114.21
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C(C(=O)[O-])=C1	REAL300000514041	0	34	-2.0	-118.26	319.15	3.77	-114.49
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000514044	0	42	-2.0	-122.09	371.92	1.67	-120.42
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000514046	0	38	-2.0	-130.23	346.69	6.18	-124.05
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C(C(=O)[O-])=C1	REAL300000514048	1	43	-2.0	-138.03	368.65	6.57	-131.46
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000514049	0	45	-2.0	-127.08	393.80	6.27	-120.81
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C(C(=O)[O-])=C1	REAL300000514050	0	39	-2.0	-130.12	358.22	6.48	-123.64
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=N2)C(C(=O)[O-])=C1	REAL300000514051	0	37	-2.0	-128.43	331.20	2.38	-126.05
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000514052	0	45	-2.0	-124.17	382.29	5.75	-118.42
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C(C(=O)[O-])=C1	REAL300000514053	0	45	-2.0	-122.79	379.69	5.97	-116.82
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C(C(=O)[O-])=C1	REAL300000514054	0	48	-2.0	-122.97	401.37	6.68	-116.29
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C(C(=O)[O-])=C1	REAL300000514055	0	45	-2.0	-128.29	375.32	6.13	-122.16
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000514056	1	41	-2.0	-123.37	355.77	6.80	-116.57
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C(C(=O)[O-])=C1	REAL300000514057	0	46	-2.0	-139.65	389.79	6.65	-133.00
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C(C(=O)[O-])=C1	REAL300000514058	0	46	-2.0	-124.53	401.06	5.73	-118.80
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C(C(=O)[O-])=C1	REAL300000514059	0	35	-2.0	-123.05	337.82	5.50	-117.55
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000514060	0	43	-2.0	-142.42	374.12	5.66	-136.76
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000514061	0	40	-2.0	-113.98	347.63	3.40	-110.58
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C(C(=O)[O-])=C1	REAL300000514063	1	39	-2.0	-114.92	347.25	4.85	-110.07
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C(C(=O)[O-])=C1	REAL300000514064	0	41	-2.0	-130.43	371.23	7.49	-122.94
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C(C(=O)[O-])=C1	REAL300000514065	0	45	-2.0	-121.49	384.34	5.79	-115.70
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1OC	REAL300000514067	0	46	-2.0	-126.32	384.25	5.83	-120.49
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300000514068	0	41	-2.0	-131.00	362.17	6.34	-124.66
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C(C(=O)[O-])=C1	REAL300000514069	0	45	-2.0	-127.67	387.67	5.99	-121.68
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C(C(=O)[O-])=C1	REAL300000514070	0	41	-2.0	-135.80	361.83	5.25	-130.55
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C(C(=O)[O-])=C1	REAL300000514071	0	43	-2.0	-147.43	376.94	4.46	-142.97
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000514072	0	45	-2.0	-127.65	372.98	8.04	-119.61
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=CN=C1N	REAL300000514073	1	42	-2.0	-125.86	360.40	3.79	-122.07
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000514074	0	38	-2.0	-124.22	349.70	1.93	-122.29
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])N=CN1	REAL300000514075	0	38	-2.0	-134.49	331.52	4.17	-130.32
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C(C(=O)[O-])=C1	REAL300000514077	1	41	-2.0	-124.77	366.05	6.44	-118.33
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000514078	0	48	-2.0	-129.57	403.91	6.47	-123.10
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C(C(=O)[O-])=C1	REAL300000514079	0	35	-2.0	-122.49	338.20	5.60	-116.89
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C(C(=O)[O-])=C1	REAL300000514080	0	48	-2.0	-125.86	406.37	6.71	-119.15
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C(C(=O)[O-])=C1	REAL300000514081	0	42	-2.0	-131.49	369.14	7.26	-124.23
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000514082	1	47	-2.0	-129.53	396.77	8.27	-121.26
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000514083	0	44	-2.0	-118.49	388.65	4.40	-114.09
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C(C(=O)[O-])=C1	REAL300000514084	0	39	-2.0	-128.08	356.87	6.42	-121.66
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000514085	0	45	-2.0	-126.16	378.06	5.60	-120.56
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000514088	0	47	-2.0	-119.10	379.28	5.97	-113.13
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000514089	0	47	-2.0	-124.72	396.88	5.79	-118.93
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C(C(=O)[O-])=C1	REAL300000514090	0	45	-2.0	-124.68	380.98	5.17	-119.51
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C(C(=O)[O-])=C1	REAL300000514091	1	49	-2.0	-124.03	406.66	6.90	-117.13
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C(C(=O)[O-])=C1	REAL300000514092	1	41	-2.0	-126.08	360.36	6.88	-119.20
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000514093	0	41	-2.0	-120.24	354.58	4.28	-115.96
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C(C(=O)[O-])=C1	REAL300000514096	1	41	-2.0	-133.16	352.16	7.35	-125.81
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C(C(=O)[O-])=C1	REAL300000514097	0	39	-2.0	-125.26	365.04	6.91	-118.35
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C(C(=O)[O-])=C1	REAL300000514098	1	45	-2.0	-129.03	381.61	8.18	-120.85
COC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=CS1	REAL300000514099	0	39	-2.0	-130.39	354.66	4.51	-125.88
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C(C(=O)[O-])=C1	REAL300000514100	0	45	-2.0	-130.91	387.11	8.24	-122.67
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C(C(=O)[O-])=C1	REAL300000514101	0	48	-2.0	-123.58	397.19	6.66	-116.92
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000514102	0	47	-2.0	-122.10	392.34	5.97	-116.13
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C(C(=O)[O-])=C1	REAL300000514104	0	43	-2.0	-138.48	376.00	4.42	-134.06
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])O1	REAL300000514105	0	41	-2.0	-127.24	358.48	5.66	-121.58
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C(C(=O)[O-])=C1	REAL300000514106	0	38	-2.0	-118.92	356.25	5.28	-113.64
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C(C(=O)[O-])=C1	REAL300000514107	1	44	-2.0	-128.14	385.59	7.60	-120.54
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])S1	REAL300000514108	0	39	-2.0	-122.37	356.17	4.52	-117.85
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C(C(=O)[O-])=C1	REAL300000514109	0	41	-2.0	-119.83	365.06	4.77	-115.06
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000514110	1	48	-2.0	-129.58	409.30	6.75	-122.83
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C(C(=O)[O-])=C1	REAL300000514111	1	41	-2.0	-130.47	354.08	6.98	-123.49
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C(C(=O)[O-])=C1	REAL300000514112	0	41	-2.0	-131.35	357.87	6.46	-124.89
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C(C(=O)[O-])=C1	REAL300000514113	1	40	-2.0	-129.37	363.35	5.46	-123.91
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=N1	REAL300000514114	0	40	-2.0	-124.45	353.11	2.93	-121.52
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1Cl	REAL300000514115	0	41	-2.0	-120.26	374.07	4.99	-115.27
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C(C(=O)[O-])=C1	REAL300000514116	0	35	-2.0	-119.12	332.14	4.69	-114.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C2=CC=CC=C12	REAL300000514117	1	47	-2.0	-138.54	391.14	8.91	-129.63
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C(C(=O)[O-])=C1	REAL300000514120	0	42	-2.0	-127.61	376.20	7.38	-120.23
CC1=COC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000514121	0	38	-2.0	-126.29	336.98	4.73	-121.56
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=NN1	REAL300000514122	0	44	-2.0	-124.33	392.74	3.86	-120.47
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C(C(=O)[O-])=C1	REAL300000514123	0	37	-2.0	-109.85	350.02	4.71	-105.14
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C(C(=O)[O-])=C1	REAL300000514124	0	44	-2.0	-126.64	376.80	6.00	-120.64
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C(C(=O)[O-])=C1	REAL300000514125	1	45	-2.0	-135.83	386.11	7.82	-128.01
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C(C(=O)[O-])=C1	REAL300000514126	0	38	-2.0	-119.68	352.27	4.12	-115.56
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C(C(=O)[O-])=C1	REAL300000514127	1	44	-2.0	-137.52	368.89	7.86	-129.66
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C(C(=O)[O-])=C1	REAL300000514128	0	36	-2.0	-123.39	336.56	4.51	-118.88
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000514129	0	40	-2.0	-115.21	360.13	5.45	-109.76
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000514130	0	48	-2.0	-127.98	409.20	6.86	-121.12
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(C(=O)[O-])=C1	REAL300000514133	0	35	-2.0	-121.88	331.18	4.57	-117.31
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C(C(=O)[O-])=C1	REAL300000514134	0	35	-2.0	-118.75	341.20	5.59	-113.16
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C(C(=O)[O-])=C1	REAL300000514135	0	46	-2.0	-123.45	384.69	3.80	-119.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C(C)=N1	REAL300000514138	1	44	-2.0	-119.70	375.25	3.50	-116.20
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000514139	0	44	-2.0	-132.07	379.82	3.88	-128.19
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C1C	REAL300000514140	1	44	-2.0	-120.49	379.71	3.48	-117.01
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=N1	REAL300000514141	0	47	-2.0	-122.60	395.33	6.22	-116.38
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000514142	0	47	-2.0	-125.89	396.01	5.80	-120.09
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C(C(=O)[O-])=C1	REAL300000514143	0	36	-2.0	-126.45	335.35	4.46	-121.99
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C(C(=O)[O-])=C1	REAL300000514144	0	36	-2.0	-121.65	344.43	5.40	-116.25
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C(C(=O)[O-])=C1	REAL300000514145	0	44	-2.0	-121.44	374.08	5.33	-116.11
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C(C(=O)[O-])=C1	REAL300000514146	0	45	-2.0	-119.62	384.61	6.20	-113.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=NN1C(C)C	REAL300000514148	0	47	-2.0	-123.99	395.49	5.87	-118.12
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C(C(=O)[O-])=C1	REAL300000514149	0	40	-2.0	-122.58	359.74	5.09	-117.49
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C(C(=O)[O-])=C1	REAL300000514151	1	39	-2.0	-128.52	343.39	3.21	-125.31
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C(C(=O)[O-])=C1	REAL300000514152	0	34	-2.0	-116.15	318.05	3.67	-112.48
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1C(=O)[O-]	REAL300000514153	0	43	-2.0	-133.64	373.18	5.64	-128.00
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000514154	0	43	-3.0	-189.24	379.21	6.51	-182.73
CCC1=C(S(=O)(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000514154	1	44	-2.0	-97.40	383.33	6.18	-91.22
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])C=C(Cl)S1	REAL300000514155	1	38	-2.0	-117.50	357.63	6.47	-111.03
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C(C(=O)[O-])=C1	REAL300000514156	0	34	-2.0	-121.11	318.96	3.18	-117.93
CC(C)OC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C(C(=O)[O-])=C1	REAL300000514157	0	45	-2.0	-126.27	378.13	5.37	-120.90
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2C(=O)[O-])=C1	REAL300000514158	0	41	-2.0	-133.45	359.31	6.79	-126.66
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000514159	1	42	-2.0	-97.49	380.84	7.94	-89.55
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000514161	1	42	-2.0	-99.40	376.30	7.91	-91.49
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000514163	0	42	-2.0	-96.87	381.78	7.97	-88.90
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000514164	0	39	-2.0	-94.08	369.49	6.92	-87.16
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1F	REAL300000514165	1	45	-2.0	-101.39	391.74	8.70	-92.69
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000514166	1	43	-2.0	-98.04	382.95	7.25	-90.79
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1F	REAL300000514167	0	42	-2.0	-90.43	385.43	7.59	-82.84
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000514168	0	39	-2.0	-95.47	367.96	6.94	-88.53
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000514169	0	42	-2.0	-94.74	379.31	7.05	-87.69
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000514170	1	42	-2.0	-98.02	384.90	7.81	-90.21
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000514171	1	42	-2.0	-87.92	380.83	7.95	-79.97
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000514172	0	39	-2.0	-89.43	368.58	7.04	-82.39
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000514173	1	42	-2.0	-90.79	382.71	7.97	-82.82
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000514174	0	42	-2.0	-87.05	381.76	7.98	-79.07
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000514175	0	43	-2.0	-100.52	386.02	5.62	-94.90
CCCCC(=O)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000514175	1	43	-2.0	-100.99	375.06	6.50	-94.49
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000514176	1	45	-2.0	-91.03	398.49	8.70	-82.33
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1F	REAL300000514177	1	45	-2.0	-95.25	386.38	8.56	-86.69
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=CC=C1F	REAL300000514179	1	46	-2.0	-99.09	404.33	8.12	-90.97
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000514181	0	42	-2.0	-102.41	379.97	7.95	-94.46
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000514182	0	41	-2.0	-97.24	373.29	5.97	-91.27
CCCCC(=O)C1=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000514183	0	45	-2.0	-94.73	398.44	7.90	-86.83
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1	REAL300000514184	1	36	-2.0	-83.12	339.39	0.82	-82.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=CC=C1F	REAL300000514185	1	29	-2.0	-99.05	287.45	2.26	-96.79
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(O)=C1	REAL300000514186	0	37	-2.0	-99.96	342.54	3.32	-96.64
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514187	0	29	-2.0	-96.31	299.34	2.93	-93.38
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514189	1	29	-2.0	-100.38	282.92	2.23	-98.15
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(O)=C1	REAL300000514190	0	33	-2.0	-105.96	311.07	2.02	-103.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=CC=C1Br	REAL300000514191	1	29	-2.0	-96.66	299.17	2.72	-93.94
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1	REAL300000514192	1	33	-2.0	-88.90	314.38	3.52	-85.38
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514194	0	29	-2.0	-96.84	295.99	2.80	-94.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=CC=C1Cl	REAL300000514195	1	29	-2.0	-97.17	295.43	2.62	-94.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C(Cl)C=C1Cl	REAL300000514196	0	29	-2.0	-92.09	308.49	3.17	-88.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1C	REAL300000514197	1	35	-2.0	-104.01	315.60	3.57	-100.44
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514198	0	29	-2.0	-98.04	288.40	2.29	-95.75
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1	REAL300000514199	1	35	-2.0	-88.08	326.49	3.82	-84.26
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514200	0	26	-2.0	-95.02	276.11	1.24	-93.78
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(O)=C1	REAL300000514201	1	32	-2.0	-102.05	298.36	3.01	-99.04
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(O)=C3)C=C2)C1	REAL300000514203	1	40	-2.0	-84.27	359.76	3.30	-80.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C(Br)S1	REAL300000514204	0	26	-2.0	-92.15	293.10	2.01	-90.14
CN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1C(=O)[O-]	REAL300000514205	0	30	-2.0	-98.86	289.57	1.57	-97.29
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514207	0	29	-2.0	-91.42	292.04	1.90	-89.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=CS1	REAL300000514209	0	26	-2.0	-97.05	274.57	1.26	-95.79
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000514210	1	37	-2.0	-101.42	341.23	2.04	-99.38
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514212	1	39	-2.0	-104.72	338.18	4.84	-99.88
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(O)=C1	REAL300000514213	1	38	-2.0	-104.02	336.83	4.24	-99.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(O)=C1	REAL300000514214	1	35	-2.0	-100.64	313.07	3.94	-96.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(O)=C1	REAL300000514215	0	36	-2.0	-106.53	333.35	2.78	-103.75
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C(O)=C2)=C1	REAL300000514216	0	32	-2.0	-109.59	313.80	2.79	-106.80
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514216	1	31	-3.0	-173.82	311.33	2.79	-171.03
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514217	1	36	-2.0	-105.84	327.19	4.13	-101.71
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C(C(=O)[O-])O1	REAL300000514218	0	29	-2.0	-94.99	285.93	1.36	-93.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=CC2=C1OCCO2	REAL300000514219	1	35	-2.0	-104.99	325.09	2.00	-102.99
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514220	0	33	-2.0	-101.41	311.91	1.32	-100.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=CC(Cl)=C1Cl	REAL300000514222	1	29	-2.0	-91.01	310.60	3.08	-87.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C(Cl)C=C1F	REAL300000514223	0	29	-2.0	-93.91	300.52	2.81	-91.10
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1Cl	REAL300000514224	1	33	-2.0	-86.32	330.02	3.05	-83.27
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1F	REAL300000514226	1	39	-2.0	-87.25	362.66	3.48	-83.77
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(O)=C1	REAL300000514227	1	32	-2.0	-92.85	303.63	3.04	-89.81
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1F	REAL300000514229	1	33	-2.0	-87.29	320.22	2.58	-84.71
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C(C(=O)[O-])S1	REAL300000514231	1	29	-2.0	-98.81	291.52	2.12	-96.69
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514232	0	29	-2.0	-90.73	311.14	3.25	-87.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C(Cl)=C1	REAL300000514233	0	29	-2.0	-86.70	295.98	2.79	-83.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C(Br)=C1	REAL300000514234	0	29	-2.0	-86.27	299.32	2.92	-83.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1F	REAL300000514235	1	29	-2.0	-88.66	287.45	2.27	-86.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)S1	REAL300000514236	0	26	-2.0	-90.59	275.19	1.36	-89.23
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514237	1	29	-2.0	-91.64	289.33	2.29	-89.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1F	REAL300000514238	0	32	-2.0	-99.11	308.70	2.93	-96.18
COC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000514239	0	33	-2.0	-91.28	323.23	2.85	-88.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C(F)=C1	REAL300000514240	0	29	-2.0	-88.08	288.39	2.30	-85.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1Cl	REAL300000514241	1	29	-2.0	-86.64	295.42	2.63	-84.01
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(O)=C1	REAL300000514242	1	32	-2.0	-94.48	312.36	3.42	-91.06
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1	REAL300000514243	1	37	-2.0	-86.08	346.67	3.64	-82.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1Br	REAL300000514244	1	29	-2.0	-86.23	299.16	2.73	-83.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=CC(F)=C1F	REAL300000514245	1	29	-2.0	-90.76	293.74	2.32	-88.44
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514246	0	31	-2.0	-85.99	311.11	2.90	-83.09
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514247	0	30	-2.0	-100.85	292.64	-0.06	-100.91
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1	REAL300000514248	1	32	-2.0	-92.20	305.09	3.01	-89.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=CC(Cl)=C1F	REAL300000514249	1	29	-2.0	-92.15	303.63	2.76	-89.39
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(O)=C1	REAL300000514250	1	32	-2.0	-97.33	292.99	2.87	-94.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=CC=C1[N+](=O)[O-]	REAL300000514254	0	31	-2.0	-100.20	309.48	3.32	-96.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514255	0	29	-2.0	-89.86	294.68	2.35	-87.51
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)S1	REAL300000514256	0	26	-2.0	-88.38	295.50	1.91	-86.47
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1C(=O)[O-]	REAL300000514258	0	32	-2.0	-99.97	308.24	2.92	-97.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1Cl	REAL300000514259	0	32	-2.0	-98.24	314.67	3.36	-94.88
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514260	0	32	-2.0	-104.73	307.96	2.92	-101.81
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(O)=C1	REAL300000514263	1	32	-2.0	-90.26	309.19	3.40	-86.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1C(F)(F)F	REAL300000514264	1	32	-2.0	-85.67	313.04	3.04	-82.63
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000514265	1	32	-2.0	-97.91	314.16	3.19	-94.72
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514266	1	29	-2.0	-93.40	304.21	2.84	-90.56
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1C(=O)[O-]	REAL300000514267	0	33	-2.0	-100.05	310.95	2.44	-97.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C(F)C(Cl)=C1F	REAL300000514269	0	29	-2.0	-88.92	308.51	2.78	-86.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C(OC(F)(F)F)=C1	REAL300000514270	0	33	-2.0	-87.93	327.63	2.52	-85.41
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1C(=O)[O-]	REAL300000514271	1	32	-2.0	-95.50	316.66	3.30	-92.20
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C(C(=O)[O-])S1	REAL300000514272	0	38	-2.0	-98.80	332.39	4.36	-94.44
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1C(=O)[O-]	REAL300000514273	0	33	-2.0	-102.21	323.25	2.86	-99.35
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C([N+](=O)[O-])=C1	REAL300000514275	0	34	-2.0	-93.71	326.19	4.41	-89.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1[N+](=O)[O-]	REAL300000514277	0	31	-2.0	-108.31	306.65	4.08	-104.23
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1F	REAL300000514278	0	29	-2.0	-104.39	286.59	2.26	-102.13
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C1C(=O)[O-]	REAL300000514279	1	32	-2.0	-93.74	307.87	2.91	-90.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=CC2=CC=CC=C21	REAL300000514280	1	35	-2.0	-108.99	323.96	4.35	-104.64
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514281	0	28	-2.0	-97.86	279.91	0.28	-97.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(O)=C1	REAL300000514282	0	33	-2.0	-92.95	311.13	2.02	-90.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C(Cl)O1	REAL300000514283	0	26	-2.0	-89.02	283.07	1.21	-87.81
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)=C1	REAL300000514285	0	32	-2.0	-92.02	326.27	-0.74	-92.76
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(O)=C3)C=C2)CC1	REAL300000514286	1	36	-2.0	-95.16	329.05	4.12	-91.04
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(O)=C3)C=C2C1	REAL300000514287	1	36	-2.0	-98.72	328.37	4.13	-94.59
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2)C=C(C(=O)[O-])O1	REAL300000514288	0	32	-2.0	-94.76	305.05	2.21	-92.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=CC=C1F	REAL300000514289	1	34	-2.0	-100.92	329.96	6.72	-94.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C1	REAL300000514290	1	34	-2.0	-92.09	325.41	6.70	-85.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1	REAL300000514291	1	34	-2.0	-104.81	325.43	6.69	-98.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)(F)CF)=C1	REAL300000514292	0	38	-2.0	-109.80	353.56	6.47	-103.33
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C1	REAL300000514293	1	38	-2.0	-91.57	356.88	7.98	-83.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C1C(=O)[O-]	REAL300000514294	1	37	-2.0	-104.35	341.43	7.22	-97.13
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1	REAL300000514295	0	34	-2.0	-100.05	338.49	7.26	-92.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=CC=C1Cl	REAL300000514296	1	34	-2.0	-99.29	337.93	7.08	-92.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1C	REAL300000514297	1	40	-2.0	-107.67	358.09	8.03	-99.64
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1	REAL300000514298	0	34	-2.0	-101.47	330.89	6.75	-94.72
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C1	REAL300000514299	1	40	-2.0	-90.75	369.00	8.27	-82.48
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1	REAL300000514300	0	31	-2.0	-99.11	318.60	5.70	-93.41
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)(F)CF)=C1	REAL300000514301	1	37	-2.0	-105.49	340.85	7.47	-98.02
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C1C(=O)[O-]	REAL300000514303	0	35	-2.0	-103.17	332.06	6.03	-97.14
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1	REAL300000514305	0	34	-2.0	-94.57	334.52	6.36	-88.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=CS1	REAL300000514307	0	31	-2.0	-100.53	317.08	5.72	-94.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)(F)CF)=C1	REAL300000514309	1	40	-2.0	-103.93	355.56	8.40	-95.53
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1	REAL300000514310	1	41	-2.0	-109.59	369.68	8.59	-101.00
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C(C(=O)[O-])O1	REAL300000514311	0	34	-2.0	-98.74	328.42	5.82	-92.92
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1	REAL300000514312	0	38	-2.0	-104.63	354.41	5.78	-98.85
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)(F)CF)=C1	REAL300000514313	1	37	-2.0	-96.13	346.12	7.50	-88.63
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C(C(=O)[O-])S1	REAL300000514314	1	34	-2.0	-102.06	334.02	6.58	-95.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C(Cl)=C1	REAL300000514315	0	34	-2.0	-89.55	338.47	7.25	-82.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C1F	REAL300000514316	1	34	-2.0	-91.81	329.94	6.73	-85.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)S1	REAL300000514317	0	31	-2.0	-93.43	317.69	5.82	-87.61
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1	REAL300000514318	1	34	-2.0	-95.67	331.82	6.75	-88.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1F	REAL300000514319	0	37	-2.0	-102.87	351.18	7.39	-95.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C(F)=C1	REAL300000514320	0	34	-2.0	-91.24	330.88	6.76	-84.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C1Cl	REAL300000514321	1	34	-2.0	-89.78	337.91	7.09	-82.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=CC(F)=C1F	REAL300000514322	1	34	-2.0	-94.03	336.24	6.78	-87.25
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1	REAL300000514323	0	35	-2.0	-104.18	335.13	4.40	-99.78
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(F)(F)CF)=C2)=C1	REAL300000514323	1	35	-2.0	-106.45	334.22	5.27	-101.18
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C1	REAL300000514324	1	37	-2.0	-95.22	347.60	7.46	-87.76
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(F)(F)CF)=C1	REAL300000514325	1	37	-2.0	-99.94	335.49	7.33	-92.61
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=CC(C(=O)[O-])=C1F	REAL300000514326	1	37	-2.0	-103.81	350.26	7.34	-96.47
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=CC(C(=O)[O-])=C1C	REAL300000514328	1	40	-2.0	-106.26	358.30	7.75	-98.51
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1	REAL300000514329	0	34	-2.0	-93.15	337.17	6.81	-86.34
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C1C(=O)[O-]	REAL300000514331	0	37	-2.0	-103.76	350.73	7.37	-96.39
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1	REAL300000514332	0	37	-2.0	-108.22	350.45	7.38	-100.84
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C1C(=O)[O-]	REAL300000514333	1	40	-2.0	-105.01	359.70	7.87	-97.14
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C1C(=O)[O-]	REAL300000514334	0	38	-2.0	-103.24	353.55	6.90	-96.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=CC=C1C(=O)[O-]	REAL300000514335	1	37	-2.0	-92.20	341.42	7.23	-84.97
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1F	REAL300000514337	0	34	-2.0	-107.46	329.03	6.71	-100.75
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C1C(=O)[O-]	REAL300000514338	1	37	-2.0	-95.23	346.60	7.25	-87.98
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C1	REAL300000514339	0	33	-2.0	-102.19	321.63	4.82	-97.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(F)(F)CF)=C1	REAL300000514340	0	38	-2.0	-96.18	353.61	6.49	-89.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)=C(Cl)O1	REAL300000514341	0	31	-2.0	-92.48	325.56	5.66	-86.82
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(F)(F)CF)=C3)C=C2)CC1	REAL300000514342	1	41	-2.0	-98.67	371.54	8.57	-90.10
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(F)(F)CF)=C3)C=C2C1	REAL300000514343	1	41	-2.0	-102.46	370.88	8.57	-93.89
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)(F)CF)=C2)C=C(C(=O)[O-])O1	REAL300000514344	0	37	-2.0	-98.64	347.55	6.67	-91.97
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)=C2)CC1	REAL300000514345	1	45	-2.0	-90.28	388.62	6.08	-84.20
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)CC1	REAL300000514346	1	38	-2.0	-107.13	336.70	7.52	-99.61
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2(C)CC2)=C1	REAL300000514347	0	46	-2.0	-108.20	391.78	8.59	-99.61
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300000514349	1	38	-2.0	-109.88	332.16	7.49	-102.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2(C)CC2)=C1	REAL300000514350	0	42	-2.0	-115.56	360.31	7.29	-108.27
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)CC1	REAL300000514351	1	42	-2.0	-96.38	363.61	8.79	-87.59
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C2)CC1	REAL300000514353	0	38	-2.0	-105.28	345.23	8.06	-97.22
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2)CC1	REAL300000514354	1	38	-2.0	-105.59	344.68	7.89	-97.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)=C1C	REAL300000514355	1	44	-2.0	-112.82	364.83	8.84	-103.98
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)CC1	REAL300000514356	0	38	-2.0	-107.20	337.64	7.55	-99.65
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2)CC1	REAL300000514357	1	44	-2.0	-95.87	375.74	9.07	-86.80
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)CC1	REAL300000514358	0	35	-2.0	-103.94	325.34	6.51	-97.43
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2(C)CC2)=C1	REAL300000514359	1	41	-2.0	-110.56	347.59	8.28	-102.28
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)C=C1C(=O)[O-]	REAL300000514361	1	39	-2.0	-108.21	338.81	6.85	-101.36
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)=C1	REAL300000514363	0	38	-2.0	-100.02	341.27	7.17	-92.85
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)CC1	REAL300000514365	0	35	-2.0	-105.43	323.81	6.53	-98.90
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)=CC(C(=O)[O-])=C1OC	REAL300000514366	1	46	-2.0	-110.27	390.47	7.30	-102.97
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)=C2)CC1	REAL300000514368	1	48	-2.0	-114.72	387.41	10.12	-104.60
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2(C)CC2)=C1	REAL300000514369	1	47	-2.0	-112.95	386.06	9.49	-103.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2(C)CC2)=C1	REAL300000514370	1	44	-2.0	-108.73	362.28	9.21	-99.52
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2(C)CC2)=C1	REAL300000514371	0	45	-2.0	-115.28	382.59	8.05	-107.23
CC1(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=C2)CC1	REAL300000514372	0	41	-2.0	-108.76	367.09	7.92	-100.84
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=C2)CC1	REAL300000514372	1	40	-3.0	-185.92	360.57	8.06	-177.86
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C2)CC1	REAL300000514373	1	45	-2.0	-115.17	376.40	9.39	-105.78
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)C=C(C(=O)[O-])O1	REAL300000514374	0	38	-2.0	-103.29	335.16	6.63	-96.66
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)=C2)CC1	REAL300000514375	1	44	-2.0	-114.75	374.32	7.27	-107.48
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)=C1	REAL300000514376	0	42	-2.0	-110.91	361.14	6.58	-104.33
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=C2)CC1	REAL300000514378	0	38	-2.0	-101.73	349.75	8.09	-93.64
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)=C2)CC1	REAL300000514379	1	42	-2.0	-93.51	379.28	8.31	-85.20
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2(C)CC2)=C1	REAL300000514381	1	41	-2.0	-100.85	352.87	8.31	-92.54
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=C2)CC1	REAL300000514382	1	42	-2.0	-94.43	369.48	7.83	-86.60
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)C=C(C(=O)[O-])S1	REAL300000514384	1	38	-2.0	-106.89	340.76	7.39	-99.50
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2)CC1	REAL300000514385	0	38	-2.0	-94.43	345.22	8.06	-86.37
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)CC1	REAL300000514386	1	38	-2.0	-96.27	336.70	7.53	-88.74
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)CC1	REAL300000514387	0	35	-2.0	-98.71	324.43	6.61	-92.10
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)CC1	REAL300000514388	1	38	-2.0	-100.48	338.57	7.56	-92.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)=C1F	REAL300000514389	0	41	-2.0	-108.69	357.93	8.19	-100.50
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000514390	0	42	-2.0	-99.04	372.47	8.11	-90.93
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)CC1	REAL300000514391	0	38	-2.0	-96.56	337.62	7.57	-88.99
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2)CC1	REAL300000514392	1	38	-2.0	-94.43	344.66	7.90	-86.53
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2(C)CC2)=C1	REAL300000514393	1	41	-2.0	-102.62	361.60	8.69	-93.93
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)=C2)CC1	REAL300000514394	1	46	-2.0	-93.10	395.90	8.91	-84.19
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C2)CC1	REAL300000514395	1	38	-2.0	-98.44	343.00	7.59	-90.85
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=C2)CC1	REAL300000514396	1	40	-2.0	-94.49	360.37	8.15	-86.34
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)CC1	REAL300000514397	0	39	-2.0	-109.41	341.87	5.21	-104.20
CC1(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)CC1	REAL300000514397	1	39	-2.0	-106.64	341.06	6.00	-100.64
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)CC1	REAL300000514398	1	41	-2.0	-101.69	354.34	8.27	-93.42
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=C2)CC1	REAL300000514399	1	38	-2.0	-99.97	352.88	8.02	-91.95
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2(C)CC2)=C1	REAL300000514400	1	41	-2.0	-106.18	341.71	8.16	-98.02
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)=CC(C(=O)[O-])=C1F	REAL300000514401	1	41	-2.0	-108.50	356.99	8.15	-100.35
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=C2)CC1	REAL300000514404	0	40	-2.0	-107.65	358.74	8.58	-99.07
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2)CC1	REAL300000514405	0	38	-2.0	-98.58	343.91	7.62	-90.96
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)C=C1C(=O)[O-]	REAL300000514407	0	41	-2.0	-109.57	357.48	8.18	-101.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)=C1Cl	REAL300000514408	0	41	-2.0	-107.15	363.91	8.63	-98.52
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)=C1	REAL300000514409	0	41	-2.0	-115.09	357.20	8.19	-106.90
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2(C)CC2)=C1	REAL300000514412	1	41	-2.0	-99.19	358.42	8.67	-90.52
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)=C2)CC1	REAL300000514413	1	41	-2.0	-93.39	362.27	8.31	-85.08
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000514414	1	41	-2.0	-107.42	363.38	8.45	-98.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)C=C1C(=O)[O-]	REAL300000514415	1	42	-2.0	-109.53	360.18	7.72	-101.81
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)C=C1C(=O)[O-]	REAL300000514417	1	41	-2.0	-104.36	365.91	8.56	-95.80
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)C=C(C(=O)[O-])S1	REAL300000514418	0	47	-2.0	-106.45	381.63	9.64	-96.81
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)C=C1C(=O)[O-]	REAL300000514419	0	42	-2.0	-110.86	372.48	8.12	-102.74
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])=C2)CC1	REAL300000514421	0	43	-2.0	-101.38	375.44	9.69	-91.69
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=C2)CC1	REAL300000514423	0	40	-2.0	-117.32	355.89	9.35	-107.97
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)CC1	REAL300000514424	0	38	-2.0	-114.31	335.82	7.53	-106.78
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)C=C1C(=O)[O-]	REAL300000514425	1	41	-2.0	-102.46	357.10	8.16	-94.30
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=C2)CC1	REAL300000514426	1	44	-2.0	-118.49	373.21	9.61	-108.88
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)CC1	REAL300000514427	0	37	-2.0	-106.90	329.15	5.55	-101.35
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2(C)CC2)=C1	REAL300000514428	0	42	-2.0	-101.47	360.37	7.29	-94.18
CC1(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)CC1	REAL300000514429	0	35	-2.0	-97.09	332.31	6.47	-90.62
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C2)CC1	REAL300000514430	1	45	-2.0	-103.63	378.29	9.38	-94.25
CC1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C2)CC1	REAL300000514431	1	45	-2.0	-107.62	377.63	9.37	-98.25
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3(C)CC3)=C2)C=C(C(=O)[O-])O1	REAL300000514432	0	41	-2.0	-103.11	354.29	7.48	-95.63
C[NH+](C)CC1=CC=C(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000514449	1	44	-2.0	-223.46	390.80	4.38	-219.08
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)C=C2)CC1	REAL300000514458	1	45	-2.0	-89.71	388.63	6.08	-83.63
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(C)CC2)C=C1	REAL300000514460	0	46	-2.0	-107.73	391.77	8.58	-99.15
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300000514462	1	38	-2.0	-109.16	332.15	7.48	-101.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(C)CC2)C=C1	REAL300000514463	0	42	-2.0	-114.99	360.29	7.29	-107.70
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2)CC1	REAL300000514466	0	38	-2.0	-104.83	345.22	8.06	-96.77
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2)CC1	REAL300000514467	1	38	-2.0	-104.84	344.65	7.88	-96.96
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)CC1	REAL300000514469	0	38	-2.0	-106.60	337.62	7.55	-99.05
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2)CC1	REAL300000514470	1	44	-2.0	-95.19	375.73	9.07	-86.12
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)CC1	REAL300000514471	0	35	-2.0	-103.21	325.33	6.51	-96.70
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)C=C1C(=O)[O-]	REAL300000514474	1	39	-2.0	-107.46	338.80	6.84	-100.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)=C1	REAL300000514476	0	38	-2.0	-99.18	341.29	7.17	-92.01
CC1(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)CC1	REAL300000514478	1	35	-2.0	-104.59	323.80	6.53	-98.06
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(C)CC2)C=C1	REAL300000514482	1	47	-2.0	-112.64	386.05	9.49	-103.15
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(C)CC2)C=C1	REAL300000514484	0	45	-2.0	-115.50	382.58	8.05	-107.45
CC1(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300000514485	0	41	-2.0	-109.11	367.27	7.92	-101.19
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300000514485	1	40	-3.0	-184.63	360.57	8.06	-176.57
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000514487	0	38	-2.0	-102.86	335.15	6.63	-96.23
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)=C1	REAL300000514489	0	42	-2.0	-110.14	361.11	6.58	-103.56
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=C2)CC1	REAL300000514491	0	38	-2.0	-101.31	349.74	8.09	-93.22
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(C)CC2)C=C1	REAL300000514494	1	41	-2.0	-100.49	352.85	8.31	-92.18
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=C2)CC1	REAL300000514495	1	42	-2.0	-93.73	369.44	7.83	-85.90
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)C=C(C(=O)[O-])S1	REAL300000514497	1	38	-2.0	-106.29	341.84	7.38	-98.91
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2)CC1	REAL300000514498	0	38	-2.0	-93.81	345.20	8.05	-85.76
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)CC1	REAL300000514499	1	38	-2.0	-95.59	336.68	7.53	-88.06
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)CC1	REAL300000514500	0	35	-2.0	-97.97	324.42	6.61	-91.36
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300000514501	1	38	-2.0	-99.71	338.56	7.56	-92.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)=C1F	REAL300000514502	0	41	-2.0	-108.02	357.89	8.18	-99.84
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000514503	0	42	-2.0	-98.42	372.45	8.11	-90.31
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)CC1	REAL300000514504	0	38	-2.0	-95.68	337.61	7.56	-88.12
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(C)CC2)C=C1	REAL300000514506	1	41	-2.0	-102.30	361.59	8.69	-93.61
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)C=C2)CC1	REAL300000514507	1	46	-2.0	-92.50	395.89	8.91	-83.59
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2)CC1	REAL300000514508	1	38	-2.0	-97.61	342.98	7.59	-90.02
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C2)CC1	REAL300000514509	1	40	-2.0	-93.78	360.34	8.16	-85.62
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)CC1	REAL300000514510	0	39	-2.0	-109.21	341.86	5.20	-104.01
CC1(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)CC1	REAL300000514510	1	39	-2.0	-106.53	341.07	6.00	-100.53
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)CC1	REAL300000514511	1	41	-2.0	-100.67	354.33	8.27	-92.40
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=C2)CC1	REAL300000514512	1	38	-2.0	-99.12	352.86	8.03	-91.09
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=C2)CC1	REAL300000514517	0	40	-2.0	-106.89	358.70	8.58	-98.31
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2)CC1	REAL300000514518	0	38	-2.0	-97.94	343.90	7.61	-90.33
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)C=C1C(=O)[O-]	REAL300000514520	0	41	-2.0	-107.78	353.62	8.09	-99.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)=C1Cl	REAL300000514521	0	41	-2.0	-106.66	363.93	8.62	-98.04
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)=C1	REAL300000514522	0	41	-2.0	-113.87	357.18	8.19	-105.68
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2(C)CC2)C=C1	REAL300000514525	1	41	-2.0	-98.19	358.41	8.67	-89.52
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000514527	1	41	-2.0	-106.63	363.37	8.46	-98.17
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)C=C1C(=O)[O-]	REAL300000514528	1	42	-2.0	-108.83	360.16	7.70	-101.13
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)C=C1C(=O)[O-]	REAL300000514530	1	41	-2.0	-102.33	362.03	8.46	-93.87
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)C=C(C(=O)[O-])S1	REAL300000514531	1	47	-2.0	-106.15	381.58	9.63	-96.52
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)C=C1C(=O)[O-]	REAL300000514532	1	42	-2.0	-110.38	372.47	8.13	-102.25
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])C=C2)CC1	REAL300000514534	0	43	-2.0	-101.49	375.42	9.68	-91.81
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=C2)CC1	REAL300000514536	0	40	-2.0	-116.15	355.87	9.34	-106.81
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)CC1	REAL300000514537	0	38	-2.0	-113.07	335.81	7.53	-105.54
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)C=C1C(=O)[O-]	REAL300000514538	1	41	-2.0	-100.56	353.33	8.06	-92.50
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C2)CC1	REAL300000514539	1	44	-2.0	-117.53	373.19	9.61	-107.92
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)CC1	REAL300000514540	0	37	-2.0	-106.82	328.37	5.62	-101.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2(C)CC2)C=C1	REAL300000514541	0	42	-2.0	-100.75	360.35	7.29	-93.46
CC1(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)CC1	REAL300000514542	0	35	-2.0	-96.50	332.28	6.48	-90.02
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2)CC1	REAL300000514543	1	45	-2.0	-103.12	378.27	9.37	-93.75
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2)CC1	REAL300000514544	1	45	-2.0	-105.78	377.60	9.37	-96.41
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000514545	0	41	-2.0	-102.78	354.27	7.48	-95.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CN=C4)=NC3=C2)C=C1	REAL300000514546	1	40	-2.0	-100.66	366.02	5.80	-94.86
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CN=C4)=NC3=C2)=C1	REAL300000514547	1	40	-2.0	-113.02	366.05	5.79	-107.23
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CN=C4)=NC3=C2)C=C1C(=O)[O-]	REAL300000514548	0	41	-2.0	-111.63	372.70	5.14	-106.49
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CN=C4)=NC3=C2)C=C(C(=O)[O-])O1	REAL300000514549	0	40	-2.0	-106.49	369.06	4.94	-101.55
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CN=C4)NC3=C2)C=C(C(=O)[O-])O1	REAL300000514549	1	40	-2.0	-103.42	368.96	4.92	-98.50
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC(C4=CC=CN=C4)=NC3=C2)=C1	REAL300000514550	0	39	-2.0	-110.67	362.27	3.92	-106.75
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3N=C(C4=CC=CN=C4)NC3=C2)=C1	REAL300000514550	1	39	-2.0	-106.34	362.94	3.84	-102.50
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C2=CC=CC=C2C=C1	REAL300000514551	0	44	-2.0	-90.00	382.39	6.97	-83.03
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514552	1	37	-2.0	-108.67	330.18	8.38	-100.29
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=CC=CC=C21	REAL300000514553	0	45	-2.0	-107.04	386.02	9.42	-97.62
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2C=C1	REAL300000514554	1	37	-2.0	-97.69	325.91	8.39	-89.30
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514555	1	37	-2.0	-109.49	325.93	8.38	-101.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=CC=CC=C21	REAL300000514556	0	41	-2.0	-115.69	354.54	8.13	-107.56
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2=CC=CC=C2C=C1	REAL300000514557	1	41	-2.0	-96.33	357.38	9.68	-86.65
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000514558	1	40	-2.0	-111.20	341.87	8.90	-102.30
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C2=CC=CC=C2C=C1	REAL300000514559	0	37	-2.0	-106.01	337.58	8.87	-97.14
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514560	1	37	-2.0	-107.18	338.15	8.74	-98.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)=C1C	REAL300000514561	1	43	-2.0	-113.78	356.11	9.60	-104.18
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=CC=CC=C2C=C1	REAL300000514562	0	37	-2.0	-108.04	331.86	8.43	-99.61
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C2=CC=CC=C2C=C1	REAL300000514563	1	43	-2.0	-95.49	369.86	9.96	-85.53
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=CC=C2C=C1	REAL300000514564	0	34	-2.0	-104.45	319.23	7.41	-97.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=CC=CC=C21	REAL300000514565	1	40	-2.0	-111.36	339.74	9.05	-102.31
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2=CC=CC=C2C=C1	REAL300000514566	1	41	-2.0	-94.97	357.00	8.67	-86.30
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514567	0	38	-2.0	-109.71	332.92	7.72	-101.99
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=CC=CC=C21	REAL300000514568	1	41	-2.0	-111.35	348.12	7.08	-104.27
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)=C1	REAL300000514569	0	37	-2.0	-100.95	335.39	8.06	-92.89
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000514570	1	43	-2.0	-112.63	355.50	9.59	-103.04
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514571	0	34	-2.0	-105.24	317.58	7.43	-97.81
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000514572	1	41	-2.0	-115.65	353.56	8.44	-107.21
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C2=CC=CC=C2C=C1	REAL300000514573	1	47	-2.0	-115.40	378.91	10.89	-104.51
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C2=CC=CC=C2C=C1	REAL300000514574	1	46	-2.0	-112.53	377.07	10.22	-102.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=CC=CC=C21	REAL300000514575	1	43	-2.0	-108.92	354.43	10.00	-98.92
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=CC=CC=C21	REAL300000514576	0	44	-2.0	-114.12	376.82	8.90	-105.22
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514577	0	40	-2.0	-111.42	357.89	8.77	-102.65
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514577	1	39	-3.0	-189.88	354.33	8.95	-180.93
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C2=CC=CC=C2C=C1	REAL300000514578	1	44	-2.0	-115.95	368.00	10.18	-105.77
CC1=C(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000514579	0	37	-2.0	-105.02	329.03	7.50	-97.52
CC1=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514580	1	43	-2.0	-114.75	368.09	8.16	-106.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)=C1	REAL300000514581	0	41	-2.0	-111.46	354.74	7.50	-103.96
CC1=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C2=CC=CC=C2C=C1	REAL300000514582	1	45	-2.0	-95.47	379.20	8.97	-86.50
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C2=CC=CC=C2C=C1	REAL300000514583	0	37	-2.0	-102.90	344.12	8.91	-93.99
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)=CC=C1OCC(=O)[O-]	REAL300000514584	1	44	-2.0	-95.60	377.44	9.36	-86.24
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C2=CC=CC=C2C=C1	REAL300000514585	1	40	-2.0	-102.18	345.01	9.08	-93.10
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C2=CC=CC=C2C=C1	REAL300000514586	1	41	-2.0	-94.32	363.59	8.72	-85.60
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000514587	1	44	-2.0	-116.46	375.43	9.34	-107.12
CC1=C(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300000514588	0	37	-2.0	-107.79	336.08	8.26	-99.53
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C2=CC=CC=C2C=C1	REAL300000514589	0	37	-2.0	-94.87	337.54	8.86	-86.01
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC=CC=C2C=C1	REAL300000514590	1	37	-2.0	-97.06	330.44	8.42	-88.64
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=CC=C2C=C1	REAL300000514591	0	34	-2.0	-99.52	318.12	7.51	-92.01
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514592	0	37	-2.0	-102.34	332.64	8.44	-93.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)=C1F	REAL300000514593	0	40	-2.0	-109.65	352.16	9.07	-100.58
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=CC=CC=C2C=C1	REAL300000514594	0	37	-2.0	-97.19	331.86	8.43	-88.76
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=CC=CC=C2C=C1	REAL300000514595	1	37	-2.0	-95.22	338.78	8.77	-86.45
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C2=CC=CC=C2C=C1	REAL300000514596	1	40	-2.0	-103.78	353.75	9.47	-94.31
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C2=CC=CC=C2C=C1	REAL300000514597	0	45	-2.0	-92.58	389.66	9.79	-82.79
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514598	1	37	-2.0	-98.79	337.05	8.47	-90.32
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514599	0	39	-2.0	-96.19	354.42	9.04	-87.15
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=CC=CC=C2C=C1	REAL300000514600	0	38	-2.0	-109.66	336.11	6.04	-103.62
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C2C=C1	REAL300000514600	1	38	-2.0	-108.24	329.05	6.60	-101.64
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=CC=CC=C2C=C1	REAL300000514601	1	40	-2.0	-100.74	348.46	9.15	-91.59
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514602	1	37	-2.0	-100.17	346.94	8.90	-91.27
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C2=CC=CC=C2C=C1	REAL300000514603	1	40	-2.0	-107.00	338.11	9.02	-97.98
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)=CC(C(=O)[O-])=C1F	REAL300000514604	1	40	-2.0	-108.58	351.06	9.03	-99.55
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC2=CC=CC=C21	REAL300000514605	1	40	-2.0	-97.80	339.70	9.04	-88.76
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000514606	1	43	-2.0	-113.14	358.88	9.45	-103.69
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514607	0	39	-2.0	-107.88	352.99	9.45	-98.43
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C2=CC=CC=C2C=C1	REAL300000514608	0	37	-2.0	-99.75	338.15	8.49	-91.26
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)C(C)=C1C(=O)[O-]	REAL300000514609	1	43	-2.0	-110.43	356.72	9.70	-100.73
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000514610	0	40	-2.0	-110.46	351.07	9.07	-101.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)=C1Cl	REAL300000514611	0	40	-2.0	-107.95	356.23	9.44	-98.51
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)=C1	REAL300000514612	0	40	-2.0	-115.12	351.43	9.05	-106.07
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000514613	1	43	-2.0	-113.44	360.17	9.55	-103.89
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)C=C1CC(=O)[O-]	REAL300000514614	1	44	-2.0	-110.86	376.75	8.50	-102.36
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C2=CC=CC=C2C=C1	REAL300000514615	1	40	-2.0	-99.44	349.36	9.42	-90.02
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)=CC(C(=O)[O-])=C1Cl	REAL300000514616	1	40	-2.0	-107.40	357.45	9.33	-98.07
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000514617	0	41	-2.0	-109.55	354.28	8.58	-100.97
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514618	1	40	-2.0	-104.39	360.21	9.45	-94.94
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000514619	1	40	-2.0	-97.92	341.69	8.90	-89.02
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=CC=CC=C21	REAL300000514620	1	40	-2.0	-109.13	342.97	9.09	-100.04
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C2=CC=CC=C2C=C1	REAL300000514621	0	39	-2.0	-116.40	350.08	10.17	-106.23
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=CC=CC=C2C=C1	REAL300000514622	0	37	-2.0	-114.05	330.05	8.40	-105.65
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514623	1	40	-2.0	-102.83	351.51	9.06	-93.77
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514624	1	43	-2.0	-118.12	366.89	10.49	-107.63
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=CC=C2C=C1	REAL300000514625	0	36	-2.0	-107.60	323.26	6.42	-101.18
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC2=CC=CC=C21	REAL300000514626	0	41	-2.0	-101.56	354.60	8.13	-93.43
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300000514627	0	34	-2.0	-97.95	325.69	7.32	-90.63
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C2=CC=CC=C2C=C1	REAL300000514628	1	44	-2.0	-103.42	372.17	10.27	-93.15
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C2=CC=CC=C2C=C1	REAL300000514629	1	44	-2.0	-107.74	370.01	10.24	-97.50
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000514630	0	40	-2.0	-103.16	343.97	8.24	-94.92
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC=C1F	REAL300000514633	1	37	-2.0	-108.55	338.09	3.40	-105.15
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1	REAL300000514634	1	29	-2.0	-105.00	294.89	3.03	-101.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC=C1F	REAL300000514637	1	33	-2.0	-115.51	306.61	2.12	-113.39
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1	REAL300000514641	1	29	-2.0	-105.75	291.54	2.86	-102.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C(Cl)C=C1Cl	REAL300000514643	1	29	-2.0	-101.28	304.03	3.26	-98.02
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1	REAL300000514645	1	29	-2.0	-107.51	283.94	2.38	-105.13
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1	REAL300000514647	0	26	-2.0	-104.26	271.66	1.35	-102.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C(Br)S1	REAL300000514651	1	26	-2.0	-101.11	288.68	2.10	-99.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1	REAL300000514654	0	29	-2.0	-100.81	287.58	2.00	-98.81
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC=C1F	REAL300000514662	1	36	-2.0	-115.56	328.90	2.88	-112.68
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(O)=CC=C2F)=C1	REAL300000514663	0	32	-2.0	-105.09	311.45	2.72	-102.37
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000514665	1	29	-2.0	-104.08	281.48	1.47	-102.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1	REAL300000514667	1	33	-2.0	-111.34	307.39	1.41	-109.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C(Cl)C=C1F	REAL300000514670	1	29	-2.0	-102.33	296.06	2.91	-99.42
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1	REAL300000514679	1	29	-2.0	-99.47	306.69	3.33	-96.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)C(Cl)=C1	REAL300000514680	1	29	-2.0	-95.02	291.52	2.87	-92.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)S1	REAL300000514683	0	26	-2.0	-99.49	270.73	1.45	-98.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1F	REAL300000514685	1	32	-2.0	-108.82	304.23	3.02	-105.80
COC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C(Cl)C=C1C(=O)[O-]	REAL300000514686	1	33	-2.0	-99.61	318.77	2.94	-96.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)C(F)=C1	REAL300000514687	1	29	-2.0	-97.08	283.93	2.38	-94.70
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(O)=CC=C2F)=C1	REAL300000514694	0	30	-2.0	-107.98	288.25	0.30	-107.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=CC=C1[N+](=O)[O-]	REAL300000514701	1	31	-2.0	-107.69	305.03	3.39	-104.30
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1	REAL300000514702	1	29	-2.0	-99.14	290.23	2.44	-96.70
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)S1	REAL300000514703	0	26	-2.0	-97.28	291.05	2.03	-95.25
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)C=C1C(=O)[O-]	REAL300000514705	1	32	-2.0	-109.60	303.79	3.01	-106.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1Cl	REAL300000514706	1	32	-2.0	-107.30	310.23	3.45	-103.85
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1	REAL300000514707	1	32	-2.0	-115.27	303.52	3.00	-112.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C(F)C(Cl)=C1F	REAL300000514716	1	29	-2.0	-97.75	304.08	2.87	-94.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)C(OC(F)(F)F)=C1	REAL300000514717	1	33	-2.0	-96.56	323.17	2.60	-93.96
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)C([N+](=O)[O-])=C1	REAL300000514722	0	34	-2.0	-102.07	319.19	4.47	-97.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1[N+](=O)[O-]	REAL300000514724	0	31	-2.0	-117.47	302.20	4.17	-113.30
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1F	REAL300000514725	1	29	-2.0	-114.62	282.10	2.34	-112.28
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1	REAL300000514728	0	28	-2.0	-107.71	275.44	0.39	-107.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC=C1F	REAL300000514729	1	33	-2.0	-101.75	306.67	2.11	-99.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C(Cl)O1	REAL300000514730	0	26	-2.0	-98.14	278.57	1.32	-96.82
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)=C1	REAL300000514732	0	32	-2.0	-101.23	321.82	-0.64	-101.87
CCC1=C(S(=O)(=O)[N-]C2=CC(O)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000514735	1	32	-2.0	-103.84	300.59	2.32	-101.52
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000514736	1	41	-2.0	-137.54	364.92	5.93	-131.61
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000514737	1	38	-2.0	-136.45	349.49	5.15	-131.30
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000514740	0	32	-2.0	-141.57	303.20	4.79	-136.78
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000514741	0	35	-2.0	-111.71	323.83	3.78	-107.93
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000514742	1	31	-2.0	-121.06	306.55	3.14	-117.92
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000514743	1	33	-2.0	-128.62	315.55	4.89	-123.73
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000514744	1	33	-2.0	-123.89	315.52	4.89	-119.00
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000514745	0	32	-2.0	-128.44	316.93	5.08	-123.36
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000514746	1	33	-2.0	-139.77	312.79	4.79	-134.98
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000514747	0	35	-2.0	-108.37	322.55	4.66	-103.71
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000514747	1	34	-3.0	-198.65	327.69	5.09	-193.56
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000514749	1	41	-2.0	-131.44	357.52	4.45	-126.99
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300000514750	1	37	-2.0	-130.10	338.90	5.68	-124.42
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)NN=C1C	REAL300000514751	0	35	-2.0	-125.43	310.91	2.34	-123.09
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000514752	1	35	-2.0	-123.65	333.43	5.50	-118.15
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000514753	1	42	-2.0	-135.75	357.41	6.99	-128.76
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000514754	0	35	-2.0	-114.49	319.92	4.83	-109.66
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000514755	0	40	-2.0	-142.97	352.44	3.58	-139.39
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1OC	REAL300000514756	1	40	-2.0	-130.72	353.43	3.71	-127.01
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000514757	1	39	-2.0	-135.77	340.22	6.41	-129.36
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)ON=C1C	REAL300000514758	0	34	-2.0	-120.13	307.78	3.47	-116.66
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000514759	1	32	-2.0	-122.41	326.63	5.48	-116.93
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000514760	0	35	-2.0	-109.37	318.76	4.63	-104.74
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000514760	1	34	-3.0	-203.25	323.16	5.06	-198.19
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000514761	1	32	-2.0	-121.06	307.42	4.62	-116.44
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000514762	1	32	-2.0	-128.49	324.56	5.58	-122.91
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000514763	1	35	-2.0	-128.50	333.43	5.50	-123.00
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1	REAL300000514764	1	35	-2.0	-134.69	316.10	5.17	-129.52
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000514766	1	35	-2.0	-135.36	320.57	5.89	-129.47
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000514767	1	32	-2.0	-129.18	311.43	5.02	-124.16
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300000514768	1	37	-2.0	-131.03	335.94	4.91	-126.12
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C	REAL300000514769	1	38	-2.0	-134.90	331.59	5.94	-128.96
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000514771	1	32	-2.0	-121.41	317.31	5.06	-116.35
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300000514772	1	37	-2.0	-144.05	335.96	4.90	-139.15
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514774	1	38	-2.0	-146.48	339.90	5.87	-140.61
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000514775	1	41	-2.0	-126.37	371.33	6.09	-120.28
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000514776	1	32	-2.0	-129.49	323.02	5.51	-123.98
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300000514777	1	44	-2.0	-133.05	370.90	6.82	-126.23
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300000514778	1	41	-2.0	-133.00	354.92	6.43	-126.57
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000514779	1	44	-2.0	-132.89	373.39	7.09	-125.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514780	0	39	-2.0	-145.52	347.93	4.22	-141.30
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514780	1	38	-3.0	-212.02	351.30	4.86	-207.16
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000514781	0	39	-2.0	-109.87	360.32	6.33	-103.54
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000514781	1	38	-3.0	-185.98	354.61	6.35	-179.63
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300000514782	0	32	-2.0	-132.68	318.30	5.83	-126.85
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000514783	0	29	-2.0	-124.31	303.67	4.12	-120.19
CCCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000514784	1	41	-2.0	-133.12	359.09	6.72	-126.40
COC1=CC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514785	1	36	-2.0	-141.26	322.94	4.30	-136.96
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000514786	0	38	-2.0	-139.00	339.41	5.50	-133.50
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000514787	0	32	-2.0	-124.56	312.76	4.69	-119.87
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000514788	1	32	-2.0	-123.03	328.16	5.53	-117.50
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000514789	1	32	-2.0	-133.64	307.84	5.05	-128.59
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000514790	1	34	-2.0	-128.99	322.92	5.17	-123.82
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300000514791	1	37	-2.0	-130.29	338.41	5.94	-124.35
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000514792	0	29	-2.0	-131.07	286.63	3.50	-127.57
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000514794	0	34	-2.0	-143.87	315.80	5.90	-137.97
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000514797	0	32	-2.0	-127.50	306.60	4.63	-122.87
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000514798	1	32	-2.0	-129.38	301.10	4.57	-124.81
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000514799	1	32	-2.0	-122.25	307.51	4.64	-117.61
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000514801	1	38	-2.0	-132.93	339.18	3.66	-129.27
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300000514803	1	47	-2.0	-136.63	386.40	7.60	-129.03
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000514804	1	32	-2.0	-125.61	311.43	5.02	-120.59
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000514805	1	34	-2.0	-118.74	322.92	5.17	-113.57
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000514806	1	32	-2.0	-133.79	294.69	4.50	-129.29
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300000514807	1	39	-2.0	-139.13	350.76	3.39	-135.74
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)S1	REAL300000514808	0	32	-2.0	-132.03	308.51	4.30	-127.73
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000514809	0	41	-2.0	-149.83	351.34	6.00	-143.83
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000514809	1	40	-3.0	-208.39	355.56	6.37	-202.02
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514810	1	36	-2.0	-132.79	339.69	4.82	-127.97
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000514811	0	34	-3.0	-202.43	328.64	5.12	-197.31
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000514811	1	35	-2.0	-136.65	324.01	4.73	-131.92
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300000514812	1	47	-2.0	-132.91	398.16	8.01	-124.90
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300000514813	1	37	-2.0	-125.97	332.94	5.78	-120.19
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000514814	0	32	-2.0	-132.29	306.61	4.63	-127.66
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000514815	0	41	-2.0	-107.39	372.36	6.60	-100.79
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000514815	1	40	-3.0	-186.50	366.73	6.65	-179.85
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000514816	1	42	-2.0	-138.93	371.35	4.21	-134.72
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000514817	1	36	-2.0	-126.79	330.44	1.32	-125.47
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(SC)C=C1	REAL300000514818	1	36	-2.0	-130.59	334.89	5.52	-125.07
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000514819	1	37	-2.0	-128.50	336.72	2.95	-125.55
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000514820	1	40	-2.0	-129.96	354.51	3.69	-126.27
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000514822	0	31	-3.0	-195.07	316.35	4.09	-190.98
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000514822	1	32	-2.0	-104.28	321.93	4.07	-100.21
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000514823	1	35	-2.0	-126.01	326.44	2.00	-124.01
COC(=O)CCS(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514824	0	34	-2.0	-124.21	313.40	3.07	-121.14
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000514825	0	38	-2.0	-148.14	334.67	5.45	-142.69
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000514825	1	37	-3.0	-206.18	338.60	5.84	-200.34
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300000514826	0	38	-2.0	-129.50	331.40	3.55	-125.95
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300000514827	1	40	-2.0	-130.08	355.42	6.47	-123.61
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000514828	1	38	-2.0	-126.79	349.47	5.16	-121.63
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000514829	1	39	-2.0	-131.28	351.13	2.78	-128.50
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514830	1	41	-2.0	-141.47	366.82	6.17	-135.30
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000514831	1	36	-2.0	-131.05	329.20	1.28	-129.77
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000514832	1	38	-2.0	-133.21	337.59	5.94	-127.27
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000514833	1	38	-2.0	-136.68	340.64	6.78	-129.90
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=CS1	REAL300000514834	0	35	-2.0	-142.61	334.28	4.80	-137.81
COCCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000514835	1	42	-2.0	-131.83	371.26	5.01	-126.82
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000514837	0	39	-2.0	-106.54	359.86	5.30	-101.24
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300000514838	1	44	-2.0	-133.52	375.85	7.19	-126.33
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000514839	1	32	-2.0	-124.67	301.10	4.57	-120.10
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000514840	0	32	-2.0	-137.74	300.17	4.56	-133.18
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000514841	1	37	-2.0	-127.92	337.08	5.01	-122.91
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514842	0	38	-2.0	-146.31	347.55	3.08	-143.23
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300000514843	1	40	-2.0	-150.72	356.04	5.79	-144.93
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1Cl	REAL300000514845	1	35	-2.0	-133.30	329.24	5.73	-127.57
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300000514846	1	38	-2.0	-128.20	345.43	1.73	-126.47
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300000514847	1	40	-2.0	-128.71	358.00	4.96	-123.75
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000514848	1	37	-2.0	-124.49	342.38	6.01	-118.48
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300000514849	1	38	-2.0	-127.63	348.81	4.46	-123.17
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000514851	1	32	-2.0	-124.02	314.22	5.13	-118.89
COC1=CC(C)=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1OC	REAL300000514853	1	43	-2.0	-131.58	368.88	4.47	-127.11
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000514854	0	36	-2.0	-123.65	335.46	4.36	-119.29
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000514854	1	35	-3.0	-200.02	329.81	4.43	-195.59
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000514855	0	32	-2.0	-138.78	312.16	4.08	-134.70
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000514856	1	37	-2.0	-129.06	336.90	0.66	-128.40
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000514857	0	39	-2.0	-148.56	343.27	3.50	-145.06
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000514859	1	36	-2.0	-128.24	340.21	4.36	-123.88
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1F	REAL300000514860	1	36	-2.0	-127.90	330.41	3.87	-124.03
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1	REAL300000514863	1	39	-2.0	-126.35	345.28	1.96	-124.39
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1C(N)=O	REAL300000514864	1	40	-2.0	-127.32	356.51	1.88	-125.44
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000514865	0	32	-2.0	-127.75	299.24	2.21	-125.54
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300000514866	1	37	-2.0	-119.03	338.41	5.94	-113.09
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCC1=CC=CC=C1	REAL300000514867	1	38	-2.0	-128.77	339.34	6.05	-122.72
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=CN1C	REAL300000514868	1	40	-2.0	-129.89	358.58	2.16	-127.73
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300000514869	1	35	-2.0	-129.90	326.91	5.78	-124.12
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCOC1=CC=C(F)C=C1	REAL300000514871	0	39	-2.0	-123.03	354.23	4.93	-118.10
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000514873	0	34	-3.0	-190.09	332.29	4.76	-185.33
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000514873	1	35	-2.0	-111.94	337.86	4.72	-107.22
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000514874	1	33	-2.0	-120.09	330.91	5.31	-114.78
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000514875	1	33	-2.0	-120.69	330.94	5.30	-115.39
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000514876	0	41	-2.0	-149.65	350.14	5.99	-143.66
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000514877	1	36	-2.0	-137.11	333.06	4.87	-132.24
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300000514878	1	35	-2.0	-129.97	330.16	5.62	-124.35
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000514879	0	32	-2.0	-133.14	316.36	5.06	-128.08
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300000514881	1	35	-2.0	-129.70	321.42	5.21	-124.49
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300000514882	1	35	-2.0	-125.90	326.91	5.78	-120.12
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000514883	0	35	-2.0	-138.28	321.61	5.23	-133.05
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C	REAL300000514884	1	35	-2.0	-130.28	316.58	5.33	-124.95
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(CCCl)C=C1	REAL300000514885	1	38	-2.0	-131.77	354.74	6.57	-125.20
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300000514886	0	37	-2.0	-144.61	333.05	6.83	-137.78
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300000514887	1	42	-2.0	-142.91	366.50	4.36	-138.55
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300000514888	1	40	-2.0	-151.25	355.96	5.80	-145.45
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000514889	0	32	-2.0	-110.03	311.35	3.77	-106.26
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000514889	1	31	-3.0	-197.02	314.81	4.11	-192.91
COC1=CC=C(S(=O)(=O)NC2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000514890	0	39	-2.0	-113.55	345.55	4.71	-108.84
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300000514891	1	40	-2.0	-133.14	344.67	5.89	-127.25
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=CC=C1O	REAL300000514892	1	39	-2.0	-127.68	358.30	3.18	-124.50
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000514893	0	34	-2.0	-136.73	322.18	5.97	-130.76
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000514894	0	34	-2.0	-138.92	328.11	5.87	-133.05
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(C)=CC=C1[O-]	REAL300000514897	1	36	-2.0	-113.55	317.68	2.97	-110.58
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1O	REAL300000514897	1	36	-2.0	-137.01	325.89	2.87	-134.14
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000514898	0	29	-2.0	-124.71	276.28	0.90	-123.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514899	0	41	-2.0	-149.20	349.33	6.38	-142.82
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514899	1	40	-3.0	-204.93	353.30	6.79	-198.14
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000514900	0	35	-2.0	-134.77	334.20	5.43	-129.34
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)S1	REAL300000514901	0	35	-2.0	-124.33	342.57	4.27	-120.06
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300000514902	0	40	-2.0	-143.65	354.20	7.10	-136.55
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000514903	1	36	-2.0	-122.44	332.50	4.88	-117.56
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000514904	0	32	-2.0	-129.70	309.61	4.86	-124.84
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000514905	0	35	-2.0	-137.37	322.99	3.80	-133.57
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000514905	1	34	-3.0	-194.46	326.17	4.21	-190.25
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000514906	0	35	-2.0	-155.18	322.89	3.71	-151.47
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514907	1	42	-2.0	-143.38	366.22	5.89	-137.49
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000514908	1	37	-2.0	-143.13	342.97	4.68	-138.45
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000514909	0	34	-2.0	-148.57	320.68	6.11	-142.46
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000514910	0	39	-2.0	-111.21	347.50	3.64	-107.57
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000514910	1	38	-3.0	-203.66	352.13	4.15	-199.51
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000514911	0	39	-2.0	-129.48	355.27	5.63	-123.85
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000514912	1	31	-2.0	-121.75	296.12	2.78	-118.97
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000514913	0	35	-2.0	-130.47	342.75	4.18	-126.29
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514914	1	40	-2.0	-129.12	353.14	6.89	-122.23
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300000514915	1	37	-2.0	-134.60	330.86	4.92	-129.68
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000514916	0	31	-2.0	-121.33	319.85	3.62	-117.71
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000514917	0	32	-2.0	-139.71	298.88	3.61	-136.10
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300000514919	1	40	-2.0	-124.91	361.01	4.24	-120.67
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300000514920	1	36	-2.0	-119.49	334.45	1.48	-118.01
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000514921	1	32	-2.0	-118.99	310.64	3.02	-115.97
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000514922	0	32	-2.0	-133.97	306.47	4.63	-129.34
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000514923	0	36	-2.0	-135.90	332.68	4.09	-131.81
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000514924	0	38	-2.0	-139.41	337.83	4.15	-135.26
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C)C(C)=N1	REAL300000514925	0	35	-2.0	-142.07	318.23	3.41	-138.66
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000514926	1	36	-2.0	-135.53	332.69	4.57	-130.96
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000514927	1	41	-2.0	-136.04	371.35	6.08	-129.96
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=N1	REAL300000514928	0	35	-2.0	-128.01	320.78	3.08	-124.93
COCC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000514929	1	39	-2.0	-136.03	349.76	4.22	-131.81
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000514930	1	37	-2.0	-131.08	330.67	3.80	-127.28
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000514931	1	32	-2.0	-128.60	314.23	5.13	-123.47
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCOCC(F)(F)F	REAL300000514932	0	35	-2.0	-121.61	333.04	2.74	-118.87
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000514934	1	36	-2.0	-124.33	338.99	1.36	-122.97
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CNN=C1C	REAL300000514935	0	32	-2.0	-125.36	295.08	1.55	-123.81
COC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000514936	1	36	-2.0	-135.36	324.20	3.80	-131.56
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1C	REAL300000514937	1	35	-2.0	-133.91	310.18	5.26	-128.65
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000514938	0	32	-2.0	-138.17	299.54	2.05	-136.12
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000514939	0	32	-2.0	-122.22	294.94	2.15	-120.07
COCCS(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514940	0	32	-2.0	-123.37	291.61	1.31	-122.06
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000514941	0	36	-2.0	-135.54	314.07	2.71	-132.83
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC1CCCCO1	REAL300000514942	0	39	-2.0	-133.58	331.58	3.78	-129.80
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1F	REAL300000514945	0	35	-2.0	-137.19	321.61	5.24	-131.95
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C)=C1	REAL300000514946	1	35	-2.0	-125.44	321.43	5.19	-120.25
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000514947	0	29	-2.0	-138.21	276.00	1.91	-136.30
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)O1	REAL300000514948	0	35	-2.0	-124.42	334.24	3.30	-121.12
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000514949	1	37	-2.0	-150.73	334.61	5.16	-145.57
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000514950	0	32	-2.0	-122.50	312.88	4.68	-117.82
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000514951	0	35	-2.0	-142.87	328.80	4.56	-138.31
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000514951	1	34	-3.0	-200.40	331.76	4.97	-195.43
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1C	REAL300000514952	1	41	-2.0	-133.81	359.56	5.80	-128.01
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000514953	1	36	-2.0	-134.66	337.30	4.36	-130.30
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300000514954	1	34	-2.0	-122.08	325.35	3.73	-118.35
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514955	0	38	-2.0	-141.52	352.86	2.11	-139.41
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000514957	1	41	-2.0	-139.51	371.65	5.95	-133.56
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300000514959	0	44	-2.0	-130.24	373.87	5.12	-125.12
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C=CS1	REAL300000514960	0	32	-2.0	-134.09	305.44	4.14	-129.95
CCN1N=C(C)C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1C	REAL300000514961	0	41	-2.0	-129.83	353.20	4.42	-125.41
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1C	REAL300000514962	1	41	-2.0	-127.36	365.50	5.70	-121.66
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300000514963	1	37	-2.0	-119.63	338.91	5.68	-113.95
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000514966	1	40	-2.0	-145.69	354.28	2.95	-142.74
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300000514967	1	36	-2.0	-129.36	330.95	5.67	-123.69
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300000514968	1	44	-2.0	-131.36	346.86	7.18	-124.18
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300000514969	1	42	-2.0	-151.94	368.30	4.25	-147.69
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC	REAL300000514970	0	36	-2.0	-134.34	332.37	4.96	-129.38
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1C	REAL300000514971	1	36	-2.0	-124.08	330.95	5.65	-118.43
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000514972	1	44	-2.0	-134.79	359.43	7.73	-127.06
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000514974	0	33	-2.0	-126.69	321.00	4.96	-121.73
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300000514975	1	37	-2.0	-129.46	338.34	2.16	-127.30
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000514976	0	38	-2.0	-128.30	339.47	3.60	-124.70
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000514977	1	37	-2.0	-133.15	335.68	4.89	-128.26
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=N1	REAL300000514978	0	38	-2.0	-133.30	354.05	3.27	-130.03
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000514979	0	38	-2.0	-138.65	338.50	2.96	-135.69
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1[N+](=O)[O-]	REAL300000514980	0	35	-2.0	-131.53	336.53	6.28	-125.25
COC1=CC=C(OCCS(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000514983	0	43	-2.0	-125.29	377.32	4.14	-121.15
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000514984	1	32	-2.0	-114.89	313.69	4.68	-110.21
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300000514985	1	43	-2.0	-129.58	377.32	6.34	-123.24
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCOC(C)C	REAL300000514986	0	38	-2.0	-124.21	333.74	3.02	-121.19
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=CN1C	REAL300000514987	1	39	-2.0	-134.73	355.87	4.61	-130.12
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000514988	1	47	-2.0	-133.04	385.13	7.29	-125.75
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000514989	0	35	-2.0	-118.22	323.17	4.70	-113.52
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000514989	1	34	-3.0	-184.52	327.68	5.10	-179.42
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300000514990	1	42	-2.0	-138.54	372.94	5.16	-133.38
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300000514991	1	38	-2.0	-126.41	341.74	5.84	-120.57
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000514992	0	31	-3.0	-188.32	315.43	4.20	-184.12
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000514992	1	32	-2.0	-110.84	321.01	4.17	-106.67
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000514993	0	41	-2.0	-140.29	359.25	5.48	-134.81
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000514994	0	35	-2.0	-105.90	327.17	4.75	-101.15
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000514994	1	34	-3.0	-192.33	329.57	5.13	-187.20
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=CN1	REAL300000514995	1	36	-2.0	-131.56	338.10	2.85	-128.71
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000514996	0	34	-3.0	-186.03	328.62	5.13	-180.90
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000514996	1	35	-2.0	-111.85	323.99	4.75	-107.10
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000514997	1	35	-2.0	-128.30	315.50	5.30	-123.00
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=CC=C1C	REAL300000514998	1	41	-2.0	-129.63	365.52	5.68	-123.95
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=CS1	REAL300000514999	1	35	-2.0	-130.85	341.97	4.19	-126.66
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)N=C(C)S1	REAL300000515000	0	34	-2.0	-128.21	319.92	3.07	-125.14
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000515001	1	36	-2.0	-139.32	336.95	5.67	-133.65
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300000515002	1	40	-2.0	-118.11	353.05	6.85	-111.26
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C([O-])C(NC(C)=O)=C1	REAL300000515003	1	40	-2.0	-113.80	356.37	1.33	-112.47
CCC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515004	1	38	-2.0	-135.06	337.59	5.93	-129.13
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300000515005	1	35	-2.0	-129.57	322.51	5.23	-124.34
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515007	0	38	-2.0	-125.87	352.59	3.97	-121.90
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000515008	1	38	-2.0	-127.51	346.07	3.57	-123.94
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300000515010	0	35	-2.0	-127.85	326.89	5.26	-122.59
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000515011	1	38	-2.0	-143.22	335.75	6.81	-136.41
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000515012	1	34	-2.0	-129.07	326.68	3.99	-125.08
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000515013	0	35	-3.0	-217.26	324.68	2.92	-214.34
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000515013	1	36	-2.0	-144.46	328.24	2.11	-142.35
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000515014	1	42	-2.0	-138.73	350.02	7.13	-131.60
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000515015	0	38	-2.0	-110.65	350.97	5.80	-104.85
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000515015	1	37	-3.0	-193.62	345.33	5.84	-187.78
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)O1	REAL300000515016	0	38	-2.0	-124.59	356.11	4.23	-120.36
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000515017	1	34	-2.0	-119.83	329.32	5.24	-114.59
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300000515018	0	35	-2.0	-137.02	337.47	5.21	-131.81
COC1=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)SC=C1	REAL300000515020	0	33	-2.0	-142.80	316.87	2.80	-140.00
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300000515021	0	38	-2.0	-129.86	349.70	5.71	-124.15
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000515022	0	35	-2.0	-134.16	324.47	4.90	-129.26
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300000515023	1	40	-2.0	-152.80	356.21	5.76	-147.04
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515024	0	34	-2.0	-135.46	327.95	3.25	-132.21
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300000515025	1	40	-2.0	-141.90	358.86	6.47	-135.43
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000515026	0	32	-2.0	-119.18	309.67	3.47	-115.71
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000515027	0	32	-2.0	-134.38	314.88	3.34	-131.04
COC1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=CC(OC)=C1	REAL300000515028	1	40	-2.0	-136.05	353.68	3.11	-132.94
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000515029	0	33	-2.0	-135.70	310.53	3.27	-132.43
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300000515030	0	40	-2.0	-144.86	345.78	7.29	-137.57
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000515031	1	33	-2.0	-121.94	316.92	2.32	-119.62
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(C)S1	REAL300000515032	0	31	-2.0	-127.45	303.23	2.33	-125.12
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000515033	0	38	-2.0	-108.70	328.10	5.33	-103.37
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000515033	1	37	-3.0	-197.62	333.20	5.70	-191.92
COCCOCCS(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515034	0	39	-2.0	-126.52	347.09	1.54	-124.98
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000515035	0	38	-2.0	-121.81	334.65	5.45	-116.36
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300000515036	0	33	-2.0	-128.89	323.98	5.18	-123.71
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300000515037	0	35	-2.0	-132.04	326.89	5.27	-126.77
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000515038	0	41	-2.0	-108.65	356.23	6.03	-102.62
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000515039	0	35	-2.0	-129.08	340.04	6.02	-123.06
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1CC	REAL300000515040	1	44	-2.0	-135.60	371.75	7.07	-128.53
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000515042	0	31	-2.0	-127.52	313.67	3.95	-123.57
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000515043	0	38	-2.0	-139.64	340.14	4.90	-134.74
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=N1	REAL300000515044	0	37	-2.0	-121.61	345.43	3.34	-118.27
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000515045	0	31	-2.0	-119.45	320.14	3.70	-115.75
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000515046	0	41	-2.0	-113.44	354.21	6.06	-107.38
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515047	1	40	-2.0	-144.24	357.78	5.77	-138.47
COCCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=N1	REAL300000515048	0	39	-2.0	-126.12	354.45	2.12	-124.00
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C([N+](=O)[O-])=N1	REAL300000515049	0	37	-2.0	-134.27	345.01	5.32	-128.95
CCC1=CC=C(S(=O)(=O)NC2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000515050	0	41	-2.0	-107.84	356.92	6.13	-101.71
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000515050	1	40	-3.0	-206.47	357.10	6.25	-200.22
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000515051	0	43	-2.0	-128.61	371.86	3.04	-125.57
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300000515053	1	36	-2.0	-140.77	331.98	5.29	-135.48
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000515054	0	41	-2.0	-132.79	367.69	6.15	-126.64
CCCN1C=NC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515055	0	38	-2.0	-139.95	342.02	5.27	-134.68
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000515056	0	40	-2.0	-126.44	352.73	2.25	-124.19
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1F	REAL300000515057	0	35	-2.0	-138.97	320.51	5.21	-133.76
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=N1	REAL300000515058	1	38	-2.0	-124.27	343.75	2.13	-122.14
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000515059	0	39	-2.0	-142.92	340.48	4.55	-138.37
COCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000515060	1	39	-2.0	-133.32	349.77	4.23	-129.09
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515061	0	37	-2.0	-137.68	333.97	1.49	-136.19
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300000515062	1	35	-2.0	-134.76	326.56	5.65	-129.11
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)OC(C)=C1	REAL300000515064	1	35	-2.0	-130.75	317.65	4.08	-126.67
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300000515065	1	38	-2.0	-136.52	340.96	2.18	-134.34
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515067	1	39	-2.0	-132.10	341.30	4.54	-127.56
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)O1	REAL300000515069	0	32	-2.0	-131.36	299.30	3.32	-128.04
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)S1	REAL300000515070	0	35	-2.0	-133.26	327.66	4.89	-128.37
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000515071	1	35	-2.0	-128.09	320.74	3.16	-124.93
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300000515072	1	40	-2.0	-150.75	348.51	6.32	-144.43
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000515073	1	38	-2.0	-144.02	343.97	6.50	-137.52
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000515074	1	34	-2.0	-116.19	327.43	5.19	-111.00
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000515075	1	32	-2.0	-122.64	317.84	5.09	-117.55
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C(C)O1	REAL300000515076	0	38	-2.0	-126.32	352.54	4.07	-122.25
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000515077	1	31	-2.0	-121.99	306.47	3.19	-118.80
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)N=C1C	REAL300000515078	0	38	-2.0	-142.06	340.24	4.32	-137.74
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300000515079	1	35	-2.0	-134.26	329.24	5.73	-128.53
CCN1C=C(S(=O)(=O)NC2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000515080	0	39	-2.0	-143.71	346.15	4.89	-138.82
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000515080	1	38	-3.0	-201.63	351.18	5.28	-196.35
COC(=O)C1=COC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515081	0	35	-2.0	-129.12	334.59	3.25	-125.87
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515082	0	44	-2.0	-131.10	370.84	5.09	-126.01
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300000515083	1	40	-2.0	-125.19	356.73	6.56	-118.63
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000515084	0	32	-2.0	-137.19	310.75	5.31	-131.88
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1Cl	REAL300000515085	0	34	-2.0	-129.66	324.60	3.82	-125.84
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515086	1	37	-2.0	-130.60	343.74	4.69	-125.91
CCC1=NC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)S1	REAL300000515087	0	34	-2.0	-127.17	324.71	3.08	-124.09
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(OC)C=CC(C(=O)[O-])=C3F)C=C12	REAL300000515088	1	39	-2.0	-118.92	355.94	2.21	-116.71
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300000515089	0	34	-2.0	-125.51	332.82	4.83	-120.68
COC1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=CN=C1Cl	REAL300000515091	1	35	-2.0	-119.63	335.55	2.46	-117.17
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000515092	1	34	-2.0	-119.29	329.41	3.75	-115.54
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300000515093	0	47	-2.0	-130.11	393.97	5.99	-124.12
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C(C)=C1F	REAL300000515094	1	39	-2.0	-126.97	344.79	4.60	-122.37
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000515095	1	33	-2.0	-123.30	328.58	5.46	-117.84
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000515096	0	35	-2.0	-142.77	322.63	4.83	-137.94
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515097	1	37	-2.0	-127.38	344.68	3.35	-124.03
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000515098	0	29	-2.0	-124.87	299.08	3.23	-121.64
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300000515099	1	40	-2.0	-131.53	354.41	6.46	-125.07
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300000515100	1	42	-2.0	-140.59	358.24	6.25	-134.34
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300000515101	0	32	-2.0	-128.78	315.78	4.92	-123.86
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC1CCCOC1	REAL300000515102	1	39	-2.0	-131.12	327.87	3.29	-127.83
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCC1=CC=CS1	REAL300000515104	1	35	-2.0	-127.39	329.58	5.14	-122.25
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300000515105	0	32	-2.0	-124.86	323.67	4.72	-120.14
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000515106	1	35	-2.0	-132.04	326.88	5.37	-126.67
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000515107	0	35	-2.0	-126.30	333.77	3.37	-122.93
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1SC	REAL300000515108	1	36	-2.0	-140.32	330.78	5.56	-134.76
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300000515109	1	41	-2.0	-137.24	348.71	6.51	-130.73
COC1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000515110	1	36	-2.0	-124.00	330.44	3.87	-120.13
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000515111	0	31	-2.0	-137.74	307.39	4.89	-132.85
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000515112	0	29	-2.0	-130.15	277.38	2.50	-127.65
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000515113	0	31	-2.0	-115.45	289.16	0.92	-114.53
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000515114	1	37	-2.0	-125.05	339.05	3.64	-121.41
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000515115	0	31	-2.0	-121.01	315.87	4.27	-116.74
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300000515116	1	41	-2.0	-134.01	355.79	5.97	-128.04
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000515117	1	40	-2.0	-133.96	361.88	2.72	-131.24
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000515118	0	36	-2.0	-133.61	322.68	3.95	-129.66
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000515119	1	33	-2.0	-128.00	328.63	5.45	-122.55
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000515120	0	35	-2.0	-127.54	338.65	3.57	-123.97
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515121	1	38	-2.0	-132.54	324.91	6.22	-126.32
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300000515122	0	40	-2.0	-147.85	348.68	4.98	-142.87
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1F	REAL300000515124	0	35	-2.0	-137.86	314.13	5.49	-132.37
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000515125	1	36	-2.0	-145.82	333.09	4.58	-141.24
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)N(CC2CC2)N=C1C	REAL300000515126	0	45	-2.0	-130.07	385.80	6.01	-124.06
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=C(C)C=CN=C12	REAL300000515127	1	40	-2.0	-150.44	352.58	5.70	-144.74
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000515129	0	33	-2.0	-138.86	319.47	2.82	-136.04
COC1=CN=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515130	1	35	-2.0	-128.25	319.30	1.97	-126.28
COCCOCCOCCS(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515131	0	46	-2.0	-128.96	402.57	1.87	-127.09
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300000515132	1	38	-2.0	-129.39	335.79	3.96	-125.43
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300000515134	1	42	-2.0	-131.34	365.76	4.36	-126.98
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515135	1	41	-2.0	-147.28	361.76	6.81	-140.47
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300000515136	1	35	-2.0	-128.36	334.58	5.78	-122.58
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(NC(C)=O)S1	REAL300000515137	0	35	-2.0	-134.47	339.66	1.99	-132.48
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000515138	1	36	-2.0	-132.70	327.56	5.75	-126.95
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000515139	1	36	-2.0	-139.40	336.95	5.66	-133.74
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000515140	1	32	-2.0	-124.97	324.56	5.57	-119.40
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300000515142	0	33	-2.0	-119.35	302.23	1.88	-117.47
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515143	1	36	-2.0	-136.78	339.69	4.82	-131.96
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000515144	1	33	-2.0	-126.05	322.20	3.28	-122.77
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300000515146	0	43	-2.0	-132.59	375.97	5.28	-127.31
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515147	1	39	-2.0	-136.12	339.66	4.57	-131.55
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000515149	0	30	-2.0	-121.43	307.22	4.06	-117.37
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)N=C1	REAL300000515150	1	34	-2.0	-129.05	311.30	3.34	-125.71
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000515151	1	37	-2.0	-131.82	335.88	4.87	-126.95
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300000515152	1	36	-2.0	-123.75	334.66	5.39	-118.36
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000515153	1	31	-2.0	-115.25	312.44	3.19	-112.06
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC(C)OC	REAL300000515154	0	35	-2.0	-130.72	310.27	2.47	-128.25
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000515155	0	36	-2.0	-133.72	329.68	3.86	-129.86
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300000515156	0	40	-2.0	-145.16	355.48	7.68	-137.48
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300000515157	0	38	-2.0	-131.92	340.43	5.01	-126.91
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000515158	1	35	-2.0	-130.50	328.87	5.43	-125.07
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C=NN1C	REAL300000515160	1	35	-2.0	-123.26	311.60	2.97	-120.29
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300000515161	1	38	-2.0	-127.30	356.08	6.56	-120.74
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000515162	0	30	-2.0	-121.61	298.61	3.05	-118.56
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000515163	1	29	-2.0	-128.87	285.80	3.42	-125.45
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000515164	0	29	-2.0	-128.59	277.23	2.39	-126.20
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515165	1	43	-2.0	-143.26	378.03	4.02	-139.24
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000515166	0	38	-2.0	-112.90	339.45	5.51	-107.39
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=N1	REAL300000515167	1	35	-2.0	-124.21	321.87	1.19	-123.02
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000515168	0	32	-2.0	-132.07	316.93	5.08	-126.99
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300000515169	1	45	-2.0	-130.61	394.87	6.11	-124.50
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515170	0	43	-2.0	-134.27	373.31	5.65	-128.62
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300000515171	1	35	-2.0	-135.04	331.20	5.87	-129.17
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300000515172	1	43	-2.0	-147.01	372.56	5.72	-141.29
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000515173	0	35	-2.0	-137.84	321.30	3.15	-134.69
CCOC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515174	1	39	-2.0	-135.59	346.05	4.73	-130.86
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000515175	0	32	-2.0	-132.69	317.04	5.37	-127.32
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515176	0	38	-2.0	-159.23	339.11	2.08	-157.15
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300000515177	1	41	-2.0	-136.37	362.00	7.44	-128.93
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000515178	0	29	-2.0	-132.68	302.68	3.97	-128.71
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CS1	REAL300000515179	0	32	-2.0	-131.09	308.27	4.16	-126.93
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000515180	0	29	-2.0	-124.50	292.98	1.31	-123.19
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000515181	0	31	-2.0	-123.50	301.60	2.62	-120.88
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000515182	1	41	-2.0	-126.10	359.15	3.56	-122.54
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000515183	1	41	-2.0	-124.88	363.88	3.06	-121.82
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000515185	0	35	-2.0	-127.42	330.88	4.97	-122.45
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515186	0	37	-2.0	-137.11	341.68	3.48	-133.63
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=NS1	REAL300000515187	0	31	-2.0	-123.41	303.19	2.80	-120.61
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CNC(=O)S1	REAL300000515188	1	29	-2.0	-121.16	291.53	0.39	-120.77
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300000515189	0	36	-2.0	-160.74	325.85	1.78	-158.96
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000515190	1	39	-2.0	-133.09	343.92	6.61	-126.48
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000515191	0	29	-2.0	-136.34	292.98	3.57	-132.77
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300000515192	0	35	-2.0	-128.27	333.34	3.35	-124.92
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000515193	1	41	-2.0	-131.82	359.53	6.10	-125.72
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000515194	1	33	-2.0	-120.03	321.40	4.93	-115.10
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC(OC)C1=CC=CC=C1	REAL300000515195	0	42	-2.0	-140.41	358.18	5.76	-134.65
COCC1(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)CC1	REAL300000515196	0	36	-2.0	-134.90	316.27	3.53	-131.37
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)N=S(C)(C)=O	REAL300000515197	0	32	-2.0	-157.23	300.05	0.43	-156.80
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000515198	0	32	-2.0	-122.05	327.27	4.69	-117.36
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000515199	0	29	-2.0	-131.64	276.32	1.10	-130.54
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=NC=C[N-]1	REAL300000515199	1	29	-2.0	-109.81	278.40	0.55	-109.26
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000515200	0	37	-2.0	-137.79	331.69	1.44	-136.35
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)S1	REAL300000515201	0	35	-2.0	-135.42	327.32	4.95	-130.47
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=CN=C1C	REAL300000515202	1	40	-2.0	-122.63	360.94	3.85	-118.78
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000515203	0	33	-2.0	-118.89	318.10	3.36	-115.53
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000515204	1	34	-2.0	-120.88	322.25	3.87	-117.01
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515205	1	41	-2.0	-141.05	371.65	5.94	-135.11
CCOC(=O)CC1(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)CC1	REAL300000515208	1	41	-2.0	-140.71	360.22	5.99	-134.72
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)N(C)N=C1	REAL300000515209	0	35	-2.0	-130.15	315.36	2.74	-127.41
C=CC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000515210	1	36	-2.0	-133.66	325.78	5.59	-128.07
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C)N=C1C	REAL300000515211	0	35	-2.0	-128.64	318.08	2.86	-125.78
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000515212	1	32	-2.0	-120.58	310.57	3.10	-117.48
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515213	0	40	-2.0	-124.94	343.01	4.48	-120.46
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300000515214	1	37	-2.0	-128.92	341.13	1.69	-127.23
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000515216	0	32	-2.0	-124.83	310.34	2.03	-122.80
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000515217	0	38	-2.0	-122.70	340.99	4.44	-118.26
COC(=O)C1(CS(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)CCCC1	REAL300000515218	0	44	-2.0	-138.30	367.94	5.63	-132.67
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300000515219	1	39	-2.0	-138.39	350.69	4.26	-134.13
COC1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000515220	1	36	-2.0	-125.05	340.24	4.36	-120.69
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(CC(N)=O)S1	REAL300000515221	0	36	-2.0	-142.79	346.29	1.14	-141.65
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000515222	0	34	-3.0	-206.08	326.78	5.09	-200.99
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000515222	1	35	-2.0	-108.59	322.16	4.70	-103.89
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000515223	0	29	-2.0	-134.85	294.03	2.51	-132.34
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000515224	0	34	-2.0	-144.26	325.90	3.92	-140.34
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000515225	1	37	-2.0	-135.73	330.50	4.34	-131.39
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300000515226	1	39	-2.0	-132.26	344.78	6.68	-125.58
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000515227	0	38	-2.0	-141.57	345.21	6.83	-134.74
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000515228	1	35	-2.0	-133.20	321.69	6.01	-127.19
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000515229	1	37	-2.0	-144.13	331.01	4.34	-139.79
CCC(CS(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F)OC	REAL300000515230	0	38	-2.0	-133.45	325.26	3.44	-130.01
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC(CC1=CC=CC=C1)OC	REAL300000515231	0	45	-2.0	-132.40	383.40	5.93	-126.47
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC(CC(C)C)OC	REAL300000515232	0	44	-2.0	-135.18	365.21	4.74	-130.44
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCOCC1CC1	REAL300000515233	0	39	-2.0	-124.14	345.14	3.86	-120.28
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300000515234	1	38	-2.0	-125.48	356.08	6.57	-118.91
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F	REAL300000515235	0	35	-2.0	-140.42	324.61	5.47	-134.95
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000515236	0	31	-2.0	-122.16	319.75	3.69	-118.47
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000515237	1	37	-2.0	-130.57	338.55	2.97	-127.60
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC(OC)C1CC1	REAL300000515238	0	39	-2.0	-130.35	336.29	3.89	-126.46
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515239	0	36	-2.0	-137.14	329.36	4.36	-132.78
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1[N+](=O)[O-]	REAL300000515240	1	40	-2.0	-130.10	357.09	6.35	-123.75
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC(OC)C1CCOCC1	REAL300000515241	0	46	-2.0	-131.91	376.57	3.15	-128.76
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(OC)C(Cl)=C1	REAL300000515242	1	35	-2.0	-120.43	337.95	1.72	-118.71
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CON=C1C	REAL300000515243	0	31	-2.0	-119.80	291.65	2.47	-117.33
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300000515244	1	35	-2.0	-126.70	330.17	5.60	-121.10
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000515245	1	38	-2.0	-142.62	342.79	5.49	-137.13
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1	REAL300000515246	0	34	-2.0	-137.87	329.28	5.69	-132.18
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)N=S(C)(=O)N(C)C	REAL300000515247	0	37	-2.0	-145.39	336.27	0.51	-144.88
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000515248	1	35	-2.0	-125.46	336.70	2.70	-122.76
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000515249	0	31	-2.0	-133.34	295.20	2.68	-130.66
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000515252	1	31	-2.0	-119.97	296.10	2.66	-117.31
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCOCC1CCC1	REAL300000515253	0	42	-2.0	-124.28	361.70	4.39	-119.89
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000515254	0	30	-2.0	-134.35	305.12	3.90	-130.45
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC(OC)C(C)C	REAL300000515256	0	41	-2.0	-131.10	344.64	3.49	-127.61
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000515257	1	32	-2.0	-121.97	317.31	5.07	-116.90
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000515258	0	41	-2.0	-139.97	356.39	4.86	-135.11
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000515259	1	40	-2.0	-144.41	346.88	5.70	-138.71
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300000515261	1	38	-2.0	-125.60	345.76	6.12	-119.48
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCC1=CC=CC=C1F	REAL300000515262	1	38	-2.0	-132.23	344.91	6.08	-126.15
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300000515263	1	38	-2.0	-131.02	352.02	6.42	-124.60
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300000515265	1	39	-2.0	-144.12	350.62	1.94	-142.18
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C)C(=O)NC1=O	REAL300000515266	0	35	-2.0	-131.65	323.10	1.21	-130.44
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC1(OC(C)C)CCOC1	REAL300000515267	0	46	-2.0	-133.38	370.59	3.54	-129.84
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)N(C)N=C1	REAL300000515268	0	38	-2.0	-130.67	343.93	3.57	-127.10
CCOC(CS(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F)C1CC1	REAL300000515269	0	42	-2.0	-131.75	358.18	4.86	-126.89
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(C)N1C	REAL300000515270	0	35	-2.0	-128.42	314.06	3.48	-124.94
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515271	1	45	-2.0	-136.22	384.73	6.16	-130.06
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC(OC)C1CCCC1	REAL300000515272	0	45	-2.0	-128.01	368.39	4.84	-123.17
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC(OC)C1CCCCC1	REAL300000515273	0	48	-2.0	-129.11	384.98	5.37	-123.74
CCC1=NC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=CN1CC1CC1	REAL300000515274	0	45	-2.0	-143.24	388.81	6.30	-136.94
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)O1	REAL300000515275	0	38	-2.0	-125.32	352.14	3.88	-121.44
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000515276	0	35	-2.0	-128.27	334.45	4.00	-124.27
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300000515277	1	40	-2.0	-125.84	358.77	6.82	-119.02
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300000515278	0	35	-2.0	-115.38	336.30	3.14	-112.24
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000515279	0	31	-2.0	-124.66	312.05	3.11	-121.55
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300000515280	1	38	-2.0	-134.84	349.97	6.10	-128.74
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(F)=C1F	REAL300000515281	0	35	-2.0	-133.81	326.78	5.28	-128.53
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)OC=C1	REAL300000515282	0	35	-2.0	-139.06	326.83	3.95	-135.11
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000515284	0	34	-2.0	-144.66	321.79	3.47	-141.19
CCCCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C(C)=N1	REAL300000515285	0	44	-2.0	-128.67	382.61	5.27	-123.40
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000515286	0	33	-3.0	-202.47	320.15	3.13	-199.34
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000515286	1	34	-2.0	-108.24	314.91	3.62	-104.62
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300000515287	0	36	-2.0	-132.19	327.49	4.64	-127.55
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000515288	1	44	-2.0	-129.40	372.92	6.76	-122.64
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000515289	1	33	-2.0	-121.49	321.92	4.96	-116.53
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300000515290	0	35	-2.0	-124.88	327.84	3.14	-121.74
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000515291	1	34	-2.0	-127.86	317.97	3.56	-124.30
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300000515292	1	36	-2.0	-139.76	328.44	4.48	-135.28
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000515293	0	42	-2.0	-127.97	355.68	4.63	-123.34
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000515294	0	44	-2.0	-127.40	363.11	5.12	-122.28
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000515296	0	42	-2.0	-128.57	362.12	4.86	-123.71
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300000515297	0	35	-2.0	-120.65	329.04	3.41	-117.24
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1CC1C1=CC=CC(F)=C1	REAL300000515298	1	39	-2.0	-129.14	351.19	6.75	-122.39
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000515299	0	33	-2.0	-110.91	302.68	2.37	-108.54
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000515300	1	42	-2.0	-132.92	371.90	7.28	-125.64
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515301	0	35	-2.0	-145.69	325.69	2.15	-143.54
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515302	0	38	-2.0	-128.87	337.55	3.66	-125.21
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1	REAL300000515303	1	37	-2.0	-130.51	340.49	5.01	-125.50
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000515304	1	32	-2.0	-122.20	299.90	1.86	-120.34
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C=C1C#N	REAL300000515305	1	36	-2.0	-138.27	334.18	5.46	-132.81
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C#N	REAL300000515306	1	36	-2.0	-140.39	326.40	5.75	-134.64
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000515307	1	35	-2.0	-124.14	331.38	5.39	-118.75
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000515309	1	39	-2.0	-136.07	358.48	6.45	-129.62
COC1=NSC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515311	0	32	-2.0	-119.97	313.94	0.30	-119.67
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CC1CCCC(C)(C)O1	REAL300000515312	0	45	-2.0	-136.58	366.76	4.73	-131.85
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000515313	0	28	-2.0	-123.15	281.44	2.20	-120.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515316	0	39	-2.0	-118.90	348.02	4.24	-114.66
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515316	1	38	-3.0	-192.22	351.36	4.86	-187.36
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300000515317	0	36	-2.0	-130.84	334.21	0.12	-130.72
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515318	1	41	-2.0	-133.36	346.41	7.00	-126.36
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000515319	0	32	-2.0	-138.08	309.43	4.64	-133.44
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300000515320	1	38	-2.0	-127.47	345.76	6.12	-121.35
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000515321	0	31	-3.0	-187.11	323.31	4.05	-183.06
COC1=CC=C(C(=O)[O-])C(F)=C1NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000515321	1	32	-2.0	-125.61	320.40	3.64	-121.97
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000515322	1	37	-2.0	-141.74	330.94	5.02	-136.72
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515323	1	39	-2.0	-132.23	356.11	4.71	-127.52
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000515324	0	33	-2.0	-132.92	320.51	4.92	-128.00
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C)N=N1	REAL300000515325	0	31	-2.0	-132.03	293.49	0.83	-131.20
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000515326	0	39	-2.0	-128.50	344.60	4.18	-124.32
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000515327	0	39	-2.0	-125.72	341.99	4.39	-121.33
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000515328	0	42	-2.0	-125.56	364.10	5.10	-120.46
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300000515329	0	43	-2.0	-138.31	369.74	2.53	-135.78
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000515330	1	38	-2.0	-128.92	345.44	1.73	-127.19
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000515331	0	29	-2.0	-129.99	298.80	3.12	-126.87
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(F)=C(OC)C(F)=C1	REAL300000515332	1	36	-2.0	-119.69	340.59	4.05	-115.64
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000515333	0	39	-2.0	-131.21	337.61	4.58	-126.63
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1F	REAL300000515334	0	36	-2.0	-129.46	335.88	3.94	-125.52
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)SC=C1C	REAL300000515335	1	35	-2.0	-127.63	317.60	5.21	-122.42
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000515336	1	40	-2.0	-145.66	351.88	5.09	-140.57
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000515337	0	40	-2.0	-128.50	363.37	4.16	-124.34
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300000515338	1	40	-2.0	-135.12	363.02	6.70	-128.42
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300000515339	0	36	-2.0	-135.74	334.69	5.10	-130.64
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000515340	0	29	-2.0	-128.59	300.13	3.95	-124.64
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000515341	1	34	-2.0	-120.55	328.86	3.69	-116.86
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300000515342	0	37	-2.0	-146.78	336.44	4.09	-142.69
CCN1N=NC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515343	0	34	-2.0	-116.11	309.93	1.84	-114.27
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000515345	1	33	-2.0	-119.14	309.57	3.29	-115.85
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000515346	0	35	-2.0	-134.65	333.55	5.95	-128.70
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000515347	0	35	-2.0	-147.57	339.61	4.21	-143.36
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000515348	0	39	-2.0	-124.06	346.64	4.24	-119.82
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300000515349	1	41	-2.0	-128.36	350.44	6.85	-121.51
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300000515350	0	40	-2.0	-137.77	350.49	4.42	-133.35
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C21	REAL300000515351	0	35	-2.0	-134.29	324.47	4.80	-129.49
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300000515352	0	45	-2.0	-133.38	383.53	5.41	-127.97
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000515353	0	39	-2.0	-132.16	349.96	4.44	-127.72
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000515355	0	35	-2.0	-140.50	324.13	3.70	-136.80
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000515356	0	37	-2.0	-149.65	339.24	2.92	-146.73
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000515357	1	39	-2.0	-134.50	335.64	6.42	-128.08
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(N)C(C)=C1	REAL300000515358	1	36	-2.0	-131.17	322.71	2.21	-128.96
COC1=NSC=C1S(=O)(=O)[N-]C1=C(F)C(C(=O)[O-])=CC=C1OC	REAL300000515359	0	32	-2.0	-127.81	311.99	0.38	-127.43
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)NC=N1	REAL300000515360	0	32	-2.0	-139.40	293.81	2.61	-136.79
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000515362	1	35	-2.0	-129.99	328.40	4.88	-125.11
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000515363	0	42	-2.0	-132.61	366.22	4.92	-127.69
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000515364	0	29	-2.0	-128.61	300.50	4.04	-124.57
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000515365	0	42	-2.0	-128.62	368.67	5.16	-123.46
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000515366	0	36	-2.0	-136.72	331.44	5.71	-131.01
CCCC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515367	1	41	-2.0	-135.40	359.09	6.71	-128.69
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515368	0	38	-2.0	-120.95	350.98	2.86	-118.09
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300000515369	0	33	-2.0	-133.86	319.19	4.86	-129.00
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000515370	0	39	-2.0	-128.73	340.42	4.04	-124.69
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000515373	0	41	-2.0	-121.96	341.74	4.40	-117.56
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000515374	0	41	-2.0	-129.28	359.19	4.23	-125.05
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000515375	0	39	-2.0	-129.13	343.28	3.61	-125.52
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000515376	1	43	-2.0	-128.95	368.96	5.32	-123.63
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000515377	1	35	-2.0	-132.65	322.68	5.32	-127.33
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000515378	0	32	-2.0	-129.75	316.23	4.87	-124.88
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000515379	1	32	-2.0	-122.41	326.43	4.61	-117.80
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=NN1C	REAL300000515380	0	35	-2.0	-123.22	316.87	2.73	-120.49
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C	REAL300000515382	1	38	-2.0	-134.72	327.90	5.83	-128.89
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000515383	1	35	-2.0	-142.74	315.68	5.80	-136.94
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515384	1	43	-2.0	-143.75	379.28	6.53	-137.22
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(COC(C)=O)C=C1	REAL300000515386	1	41	-2.0	-132.66	373.12	6.15	-126.51
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000515387	1	33	-2.0	-129.16	327.34	5.35	-123.81
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000515388	0	32	-2.0	-130.60	314.71	4.75	-125.85
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000515389	1	39	-2.0	-135.12	343.91	6.61	-128.51
COC1=C(S(=O)(=O)[N-]C2=C(F)C(C(=O)[O-])=CC=C2OC)C=CS1	REAL300000515390	0	33	-2.0	-137.13	316.96	2.95	-134.18
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000515391	0	39	-2.0	-136.07	349.42	6.67	-129.40
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000515392	0	42	-2.0	-126.39	359.52	5.12	-121.27
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515393	0	41	-2.0	-125.38	354.65	4.40	-120.98
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1	REAL300000515394	1	41	-2.0	-139.24	365.91	2.02	-137.22
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000515396	0	37	-2.0	-142.03	338.30	2.88	-139.15
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)O1	REAL300000515397	0	35	-2.0	-131.46	320.78	4.11	-127.35
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000515398	0	32	-2.0	-122.76	318.56	3.73	-119.03
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515399	1	36	-2.0	-128.08	335.62	4.43	-123.65
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000515400	1	38	-2.0	-131.82	347.91	6.03	-125.79
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000515401	1	36	-2.0	-131.73	333.95	4.08	-127.65
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)S1	REAL300000515402	0	33	-2.0	-128.35	318.48	2.96	-125.39
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000515403	0	35	-2.0	-125.15	327.37	3.21	-121.94
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515404	1	42	-2.0	-136.39	371.62	5.19	-131.20
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000515405	0	45	-2.0	-128.25	381.10	5.46	-122.79
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000515406	1	35	-2.0	-134.98	316.33	5.41	-129.57
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN21	REAL300000515407	0	35	-2.0	-134.29	320.19	4.92	-129.37
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000515408	1	34	-2.0	-133.79	325.64	3.90	-129.89
CCN1N=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=N1	REAL300000515409	0	34	-2.0	-127.97	315.41	1.38	-126.59
CCN1N=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1Cl	REAL300000515410	0	35	-2.0	-125.78	336.36	3.44	-122.34
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000515411	0	29	-2.0	-124.39	294.45	3.12	-121.27
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300000515412	1	41	-2.0	-144.03	353.46	7.35	-136.68
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000515414	0	32	-2.0	-124.54	322.21	5.11	-119.43
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000515416	0	36	-2.0	-132.72	338.52	5.82	-126.90
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300000515417	1	35	-2.0	-119.17	340.14	5.31	-113.86
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CO1	REAL300000515419	0	32	-2.0	-130.47	299.28	3.18	-127.29
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=NN1	REAL300000515420	0	38	-2.0	-128.51	354.89	2.31	-126.20
COC1=CSC(S(=O)(=O)[N-]C2=C(F)C(C(=O)[O-])=CC=C2OC)=C1OC	REAL300000515421	0	37	-2.0	-135.01	347.70	2.52	-132.49
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000515422	1	31	-2.0	-114.75	312.33	3.14	-111.61
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000515423	0	38	-2.0	-128.96	339.12	4.45	-124.51
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000515424	1	39	-2.0	-140.26	348.40	6.27	-133.99
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000515425	0	32	-2.0	-125.33	314.57	2.57	-122.76
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000515426	1	38	-2.0	-145.98	332.55	6.33	-139.65
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000515427	0	30	-2.0	-131.31	296.57	2.98	-128.33
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300000515428	1	34	-2.0	-121.90	322.45	3.90	-118.00
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515429	1	43	-2.0	-136.48	378.03	6.11	-130.37
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C(C2CC2)=N1	REAL300000515430	0	42	-2.0	-132.42	371.50	5.30	-127.12
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300000515431	0	36	-2.0	-140.21	332.98	3.84	-136.37
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)NC(=O)NC1=O	REAL300000515432	0	35	-2.0	-131.48	317.56	0.57	-130.91
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300000515434	0	45	-2.0	-127.59	381.46	5.71	-121.88
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000515435	0	29	-2.0	-127.49	293.46	3.01	-124.48
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000515436	0	29	-2.0	-125.30	303.51	4.01	-121.29
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000515437	0	40	-2.0	-124.55	347.01	2.26	-122.29
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000515438	1	39	-2.0	-138.38	338.26	6.66	-131.72
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C(C)=N1	REAL300000515441	1	38	-2.0	-124.22	337.54	1.93	-122.29
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CN=C1OC	REAL300000515442	0	38	-2.0	-136.73	342.09	2.34	-134.39
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300000515443	0	35	-2.0	-129.72	337.40	2.19	-127.53
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300000515444	1	38	-2.0	-125.40	342.01	1.92	-123.48
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000515445	0	41	-2.0	-128.03	357.64	4.66	-123.37
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300000515446	0	41	-2.0	-129.29	358.31	4.24	-125.05
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000515447	0	30	-2.0	-129.78	297.64	2.91	-126.87
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000515448	0	30	-2.0	-137.67	306.75	3.85	-133.82
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000515449	0	38	-2.0	-124.44	336.40	3.77	-120.67
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C1C	REAL300000515450	0	40	-2.0	-122.44	361.48	3.88	-118.56
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300000515451	0	35	-2.0	-136.58	336.54	6.29	-130.29
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000515452	0	39	-2.0	-123.76	346.91	4.63	-119.13
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000515453	0	39	-2.0	-129.69	348.42	5.65	-124.04
COC1=NOC(CS(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)=C1	REAL300000515454	0	35	-2.0	-126.17	325.78	0.84	-125.33
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300000515455	0	41	-2.0	-130.87	357.78	4.31	-126.56
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000515456	1	34	-2.0	-125.93	322.06	3.52	-122.41
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300000515458	1	36	-2.0	-133.28	345.15	4.98	-128.30
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000515459	1	33	-2.0	-132.96	305.71	1.65	-131.31
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515460	1	41	-2.0	-136.72	354.60	6.30	-130.42
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000515461	0	35	-2.0	-143.03	334.36	5.50	-137.53
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000515462	0	28	-2.0	-120.82	280.35	2.11	-118.71
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000515463	0	36	-2.0	-142.25	342.59	3.78	-138.47
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(C(=O)[O-])=C1F	REAL300000515464	0	37	-2.0	-139.90	335.49	4.09	-135.81
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300000515465	1	40	-2.0	-151.33	352.42	5.68	-145.65
CCC1=C(S(=O)(=O)NC2=C(OC)C=CC(C(=O)[O-])=C2F)C=C(C(=O)[O-])O1	REAL300000515466	0	38	-2.0	-138.60	341.58	4.60	-134.00
CCC1=C(S(=O)(=O)[N-]C2=C(OC)C=CC(C(=O)[O-])=C2F)C=C(C(=O)[O-])O1	REAL300000515466	1	37	-3.0	-195.07	345.29	5.05	-190.02
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300000515467	1	45	-2.0	-144.33	384.16	6.51	-137.82
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300000515468	1	32	-2.0	-125.30	319.95	4.91	-120.39
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000515469	0	28	-2.0	-126.20	281.28	1.62	-124.58
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000515470	0	39	-2.0	-132.39	340.42	3.84	-128.55
COC1=CC=C(C(=O)[O-])C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1F	REAL300000515471	0	35	-2.0	-138.28	321.61	5.23	-133.05
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000515472	0	36	-2.0	-113.78	340.32	3.19	-110.59
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000515473	0	36	-2.0	-104.12	335.78	3.17	-100.95
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000515474	0	36	-2.0	-116.07	335.79	3.16	-112.91
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000515475	0	40	-2.0	-119.46	363.93	2.96	-116.50
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000515476	0	40	-2.0	-103.09	367.24	4.46	-98.63
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000515477	0	39	-2.0	-117.19	351.83	3.70	-113.49
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000515478	0	36	-2.0	-110.09	348.86	3.72	-106.37
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000515479	0	36	-2.0	-112.08	348.30	3.56	-108.52
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000515480	0	42	-2.0	-116.48	368.19	4.46	-112.02
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000515481	0	36	-2.0	-111.71	341.27	3.23	-108.48
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000515482	0	42	-2.0	-102.00	379.35	4.75	-97.25
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000515483	0	33	-2.0	-110.48	328.97	2.19	-108.29
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000515484	0	39	-2.0	-114.67	351.22	3.93	-110.74
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000515485	0	40	-2.0	-101.95	366.86	3.45	-98.50
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000515486	0	37	-2.0	-114.91	342.44	2.52	-112.39
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000515487	0	40	-2.0	-115.41	360.00	1.97	-113.44
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000515488	0	36	-2.0	-106.75	344.91	2.85	-103.90
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000515489	0	42	-2.0	-115.75	367.25	4.47	-111.28
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000515490	0	33	-2.0	-111.98	327.44	2.20	-109.78
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000515491	0	40	-2.0	-122.07	363.08	3.23	-118.84
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000515492	0	45	-2.0	-116.69	389.69	5.13	-111.56
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=CC=CC(OC)=C1	REAL300000515493	0	42	-2.0	-112.34	365.94	4.68	-107.66
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000515494	0	43	-2.0	-122.05	386.22	3.73	-118.32
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000515495	0	38	-3.0	-192.83	364.21	3.73	-189.10
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000515496	0	43	-2.0	-118.82	380.03	5.04	-113.78
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000515497	0	36	-2.0	-108.69	338.80	2.31	-106.38
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000515498	0	40	-2.0	-119.98	364.70	2.27	-117.71
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000515499	0	43	-2.0	-102.42	386.94	4.15	-98.27
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000515500	0	39	-2.0	-105.91	356.50	3.96	-101.95
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000515501	0	40	-2.0	-101.57	373.08	3.51	-98.06
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC)=C2)C=C1C(=O)[O-]	REAL300000515502	0	43	-2.0	-122.77	384.92	4.14	-118.63
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000515503	0	36	-2.0	-111.55	344.39	3.07	-108.48
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000515504	0	36	-2.0	-101.75	348.84	3.71	-98.04
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000515505	0	36	-2.0	-103.73	340.31	3.20	-100.53
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000515506	0	33	-2.0	-105.56	328.06	2.29	-103.27
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000515507	0	36	-2.0	-107.11	342.19	3.23	-103.88
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000515508	0	39	-2.0	-113.03	361.55	3.87	-109.16
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000515509	0	36	-2.0	-103.67	341.25	3.23	-100.44
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000515510	0	36	-2.0	-101.70	348.28	3.57	-98.13
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000515511	0	39	-2.0	-107.43	365.23	4.35	-103.08
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000515512	0	36	-2.0	-105.55	346.61	3.26	-102.29
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000515513	0	38	-2.0	-101.37	363.98	3.83	-97.54
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000515514	0	37	-2.0	-112.67	345.50	0.87	-111.80
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000515514	1	36	-3.0	-213.55	341.94	1.76	-211.79
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000515515	0	39	-2.0	-105.91	357.96	3.95	-101.96
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000515516	0	39	-2.0	-114.24	345.86	3.79	-110.45
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000515517	0	39	-2.0	-115.20	360.62	3.81	-111.39
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000515518	0	39	-2.0	-103.85	351.20	3.92	-99.93
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000515519	0	42	-2.0	-120.75	372.59	4.33	-116.42
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000515520	0	38	-2.0	-114.85	362.37	4.26	-110.59
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000515521	0	36	-2.0	-103.99	347.55	3.29	-100.70
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000515522	0	42	-2.0	-118.45	370.27	4.54	-113.91
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000515523	0	39	-2.0	-112.74	357.27	3.76	-108.98
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000515524	0	39	-2.0	-111.78	367.55	4.29	-107.49
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000515525	0	39	-2.0	-122.99	360.82	3.85	-119.14
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC)=C2)C=C1C(=O)[O-]	REAL300000515526	0	42	-2.0	-117.94	369.73	4.35	-113.59
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000515527	0	43	-2.0	-120.83	386.27	3.29	-117.54
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000515528	0	39	-2.0	-106.94	362.05	4.27	-102.67
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000515529	0	39	-2.0	-113.81	367.01	4.12	-109.69
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC)=C2)C=C1C(=O)[O-]	REAL300000515530	0	40	-2.0	-116.28	363.80	3.37	-112.91
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000515531	0	39	-2.0	-110.89	369.53	4.23	-106.66
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000515532	0	39	-2.0	-104.15	351.80	3.71	-100.44
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000515533	0	39	-2.0	-112.28	355.75	3.97	-108.31
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000515534	0	38	-2.0	-125.40	359.54	5.02	-120.38
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000515535	0	36	-2.0	-122.24	339.41	3.19	-119.05
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000515536	0	39	-2.0	-109.14	360.73	3.84	-105.30
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000515537	0	35	-2.0	-113.64	332.01	1.30	-112.34
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000515538	0	40	-2.0	-107.96	363.99	2.97	-104.99
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000515539	0	33	-2.0	-103.41	335.93	2.14	-101.27
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000515540	0	43	-2.0	-109.36	381.92	5.05	-104.31
COC1=CC=CC(C(=O)N[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000515541	0	43	-2.0	-116.26	381.23	5.05	-111.21
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=CC=CC(OC)=C2)C=C(C(=O)[O-])O1	REAL300000515542	0	39	-2.0	-108.12	357.95	3.09	-105.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)=CC=C1F	REAL300000515543	1	38	-2.0	-105.71	356.54	5.62	-100.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)C=C1	REAL300000515544	1	38	-2.0	-96.66	351.98	5.60	-91.06
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)=C1	REAL300000515545	1	38	-2.0	-109.03	352.00	5.59	-103.44
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)C=C1	REAL300000515546	1	42	-2.0	-96.04	383.46	6.89	-89.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)C=C1C(=O)[O-]	REAL300000515547	1	41	-2.0	-109.11	368.01	6.12	-102.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)=C1C	REAL300000515548	1	44	-2.0	-112.44	384.67	6.94	-105.50
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)=C1	REAL300000515549	0	38	-2.0	-106.20	357.47	5.65	-100.55
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)C=C1	REAL300000515550	1	44	-2.0	-95.34	395.56	7.18	-88.16
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)=C1	REAL300000515551	0	35	-2.0	-103.37	345.18	4.60	-98.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CNC(=O)C=C2)=C1	REAL300000515552	1	41	-2.0	-110.27	367.42	6.37	-103.90
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)C=C1C(=O)[O-]	REAL300000515553	0	39	-2.0	-107.39	358.64	4.95	-102.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)=C1	REAL300000515554	0	38	-2.0	-99.15	361.11	5.27	-93.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)=CS1	REAL300000515556	0	35	-2.0	-105.90	343.65	4.62	-101.28
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CNC(=O)C=C2)=C1	REAL300000515557	1	44	-2.0	-108.77	382.16	7.31	-101.46
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)C=C(C(=O)[O-])O1	REAL300000515558	0	38	-2.0	-104.94	355.01	4.72	-100.22
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)C=C(C(=O)[O-])S1	REAL300000515559	1	38	-2.0	-106.65	361.69	5.48	-101.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)C=C1F	REAL300000515560	1	38	-2.0	-96.26	356.52	5.63	-90.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)S1	REAL300000515561	0	35	-2.0	-98.02	344.25	4.72	-93.30
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)=C1	REAL300000515562	1	38	-2.0	-99.88	358.40	5.66	-94.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)C(F)=C1	REAL300000515563	0	38	-2.0	-95.71	357.46	5.66	-90.05
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)=C1	REAL300000515564	0	39	-2.0	-109.19	361.69	3.31	-105.88
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3=CNC(=O)C=C3)=C2)=C1	REAL300000515564	1	39	-2.0	-109.03	360.80	4.18	-104.85
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)C=C1	REAL300000515565	1	41	-2.0	-99.97	374.16	6.37	-93.60
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CNC(=O)C=C2)=C1	REAL300000515566	1	41	-2.0	-104.15	362.03	6.24	-97.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)=CC(C(=O)[O-])=C1C	REAL300000515568	1	44	-2.0	-111.07	384.88	6.66	-104.41
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)C=C1C(=O)[O-]	REAL300000515570	1	44	-2.0	-110.69	386.27	6.78	-103.91
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)C=C1C(=O)[O-]	REAL300000515571	0	42	-2.0	-108.69	380.01	5.81	-102.88
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)=CC=C1C(=O)[O-]	REAL300000515572	1	41	-2.0	-96.68	368.00	6.13	-90.55
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)=C1F	REAL300000515573	0	38	-2.0	-111.75	355.65	5.62	-106.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)=C1	REAL300000515574	0	37	-2.0	-106.10	348.98	3.64	-102.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)=C(Cl)O1	REAL300000515575	0	35	-2.0	-96.98	352.14	4.57	-92.41
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CNC(=O)C=C3)=C2)C=C(C(=O)[O-])O1	REAL300000515576	0	41	-2.0	-104.76	374.13	5.57	-99.19
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1	REAL300000515577	1	45	-2.0	-90.01	386.18	6.28	-83.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=CC=C1F	REAL300000515578	1	38	-2.0	-107.37	334.27	7.72	-99.65
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC1	REAL300000515579	0	46	-2.0	-108.15	389.38	8.78	-99.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1	REAL300000515581	1	38	-2.0	-110.23	329.73	7.69	-102.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC1	REAL300000515582	0	42	-2.0	-115.96	357.91	7.49	-108.47
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1	REAL300000515583	1	42	-2.0	-96.27	361.17	8.98	-87.29
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1	REAL300000515585	0	38	-2.0	-105.49	342.80	8.25	-97.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=CC=C1Cl	REAL300000515586	1	38	-2.0	-105.90	342.25	8.08	-97.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1C	REAL300000515587	1	44	-2.0	-112.86	362.11	9.00	-103.86
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1	REAL300000515588	0	38	-2.0	-107.61	335.19	7.75	-99.86
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1	REAL300000515589	1	44	-2.0	-95.56	373.30	9.28	-86.28
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1	REAL300000515590	0	35	-2.0	-104.26	322.91	6.70	-97.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC1	REAL300000515591	1	41	-2.0	-110.86	345.15	8.47	-102.39
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1C(=O)[O-]	REAL300000515593	1	39	-2.0	-108.46	336.36	7.04	-101.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1	REAL300000515595	0	38	-2.0	-100.33	338.84	7.37	-92.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=CS1	REAL300000515597	0	35	-2.0	-105.79	321.37	6.72	-99.07
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=CC(C(=O)[O-])=C1OC	REAL300000515598	1	46	-2.0	-110.46	388.06	7.50	-102.96
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1	REAL300000515600	1	48	-2.0	-115.11	384.97	10.32	-104.79
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC1	REAL300000515601	1	47	-2.0	-112.99	383.62	9.69	-103.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC1	REAL300000515602	1	44	-2.0	-108.64	357.99	9.32	-99.32
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC1	REAL300000515603	0	45	-2.0	-116.47	380.20	8.26	-108.21
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2CCC2)=CC(C(=O)[O-])=C1	REAL300000515604	0	41	-2.0	-109.13	356.75	8.18	-100.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=CC(C(=O)[O-])=C1	REAL300000515604	1	40	-3.0	-187.52	358.13	8.25	-179.27
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1	REAL300000515605	1	45	-2.0	-115.47	373.97	9.59	-105.88
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C(C(=O)[O-])O1	REAL300000515606	0	38	-2.0	-103.77	332.77	6.82	-96.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=CC2=C1OCCO2	REAL300000515607	1	44	-2.0	-115.11	371.89	7.46	-107.65
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1	REAL300000515608	0	42	-2.0	-111.34	358.64	6.78	-104.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C(Cl)C=C1F	REAL300000515610	0	38	-2.0	-101.83	347.32	8.27	-93.56
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1Cl	REAL300000515611	1	42	-2.0	-93.27	376.84	8.51	-84.76
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC1	REAL300000515613	1	41	-2.0	-101.20	350.43	8.51	-92.69
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1F	REAL300000515614	1	42	-2.0	-94.23	367.03	8.04	-86.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C(C(=O)[O-])S1	REAL300000515616	1	38	-2.0	-107.01	339.41	7.57	-99.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C(Cl)=C1	REAL300000515617	0	38	-2.0	-94.33	342.77	8.25	-86.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1F	REAL300000515618	1	38	-2.0	-96.38	334.27	7.73	-88.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)S1	REAL300000515619	0	35	-2.0	-99.01	321.99	6.82	-92.19
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1	REAL300000515620	1	38	-2.0	-100.84	336.14	7.75	-93.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1F	REAL300000515621	0	41	-2.0	-109.24	355.48	8.38	-100.86
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C(Cl)C=C1C(=O)[O-]	REAL300000515622	0	42	-2.0	-98.95	370.03	8.32	-90.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C(F)=C1	REAL300000515623	0	38	-2.0	-96.70	335.18	7.76	-88.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1Cl	REAL300000515624	1	38	-2.0	-94.50	342.24	8.09	-86.41
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC1	REAL300000515625	1	41	-2.0	-102.95	359.17	8.88	-94.07
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1	REAL300000515626	1	46	-2.0	-92.84	393.47	9.10	-83.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=CC(F)=C1F	REAL300000515627	1	38	-2.0	-98.64	340.55	7.78	-90.86
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1	REAL300000515628	1	40	-2.0	-94.72	357.93	8.36	-86.36
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1	REAL300000515629	0	39	-2.0	-109.65	339.44	5.39	-104.26
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2C2CCC2)=C1	REAL300000515629	1	39	-2.0	-106.99	333.88	6.22	-100.77
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1	REAL300000515630	1	41	-2.0	-100.91	351.90	8.47	-92.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=CC(Cl)=C1F	REAL300000515631	1	38	-2.0	-100.19	350.43	8.22	-91.97
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC1	REAL300000515632	1	41	-2.0	-105.92	339.80	8.32	-97.60
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=CC(C(=O)[O-])=C1F	REAL300000515633	1	41	-2.0	-108.89	354.57	8.33	-100.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=CC=C1[N+](=O)[O-]	REAL300000515636	0	40	-2.0	-107.80	356.29	8.79	-99.01
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1	REAL300000515637	0	38	-2.0	-99.06	341.46	7.82	-91.24
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1C(=O)[O-]	REAL300000515639	0	41	-2.0	-110.13	355.04	8.38	-101.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1Cl	REAL300000515640	0	41	-2.0	-107.39	361.48	8.82	-98.57
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1	REAL300000515641	0	41	-2.0	-115.39	354.76	8.38	-107.01
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC1	REAL300000515644	1	41	-2.0	-99.18	355.99	8.86	-90.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1C(F)(F)F	REAL300000515645	1	41	-2.0	-93.41	359.85	8.49	-84.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=CC(C(=O)[O-])=C1Cl	REAL300000515646	1	41	-2.0	-107.85	360.96	8.64	-99.21
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1C(=O)[O-]	REAL300000515647	1	42	-2.0	-109.79	357.73	7.90	-101.89
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1C(=O)[O-]	REAL300000515649	1	41	-2.0	-104.53	363.49	8.75	-95.78
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C(C(=O)[O-])S1	REAL300000515650	0	47	-2.0	-105.87	379.39	9.77	-96.10
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1C(=O)[O-]	REAL300000515651	0	42	-2.0	-111.08	370.05	8.33	-102.75
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C([N+](=O)[O-])=C1	REAL300000515653	0	43	-2.0	-101.32	373.03	9.88	-91.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1[N+](=O)[O-]	REAL300000515655	0	40	-2.0	-117.13	353.45	9.54	-107.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1F	REAL300000515656	0	38	-2.0	-114.45	333.36	7.71	-106.74
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C1C(=O)[O-]	REAL300000515657	1	41	-2.0	-102.72	354.68	8.37	-94.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=CC2=CC=CC=C21	REAL300000515658	1	44	-2.0	-118.93	370.77	9.81	-109.12
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C1	REAL300000515659	0	37	-2.0	-107.50	326.71	5.74	-101.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CCC1	REAL300000515660	0	42	-2.0	-101.44	357.92	7.48	-93.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)=C(Cl)O1	REAL300000515661	0	35	-2.0	-97.48	329.84	6.66	-90.82
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3CCC3)C=C2)CC1	REAL300000515662	1	45	-2.0	-103.74	375.85	9.57	-94.17
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3CCC3)C=C2C1	REAL300000515663	1	45	-2.0	-106.58	375.17	9.57	-97.01
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CCC2)C=C(C(=O)[O-])O1	REAL300000515664	0	41	-2.0	-103.40	350.37	7.63	-95.77
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(C)C=C1F	REAL300000515667	1	42	-2.0	-112.70	366.15	7.49	-105.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(C)C=C1F	REAL300000515670	1	38	-2.0	-120.22	334.67	6.20	-114.02
CC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C	REAL300000515677	1	34	-2.0	-111.71	312.01	6.46	-105.25
CC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C	REAL300000515679	1	31	-2.0	-107.95	299.71	5.43	-102.52
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(F)C=C(C)C(C)=C2)=C1	REAL300000515684	1	34	-2.0	-104.05	315.66	6.09	-97.96
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(C)C=C1F	REAL300000515692	1	41	-2.0	-120.49	356.96	6.97	-113.52
CC1=CC(F)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1C	REAL300000515693	0	37	-2.0	-107.47	339.47	6.79	-100.68
CC1=C(S(=O)(=O)[N-]C2=C(F)C=C(C)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000515695	1	34	-2.0	-107.79	309.53	5.55	-102.24
CC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C1C	REAL300000515709	1	34	-2.0	-103.27	334.76	7.42	-95.85
CC1=CC(F)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C	REAL300000515712	1	31	-2.0	-102.70	298.78	5.53	-97.17
CC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C	REAL300000515714	1	37	-2.0	-113.35	332.27	7.09	-106.26
CC1=CC(F)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C	REAL300000515716	1	34	-2.0	-100.30	311.99	6.47	-93.83
CC1=CC(F)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C	REAL300000515722	0	35	-2.0	-106.92	318.92	4.85	-102.07
CC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1C	REAL300000515730	1	34	-2.0	-102.98	318.26	6.53	-96.45
CC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C	REAL300000515732	1	37	-2.0	-113.07	328.00	6.99	-106.08
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C)=C(C)C=C2F)=C1	REAL300000515734	1	37	-2.0	-118.55	331.57	7.09	-111.46
CC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=C1C	REAL300000515742	1	34	-2.0	-101.44	332.13	6.95	-94.49
CC1=CC(F)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1C	REAL300000515747	0	39	-2.0	-105.69	349.78	8.58	-97.11
CC1=CC(F)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1C	REAL300000515749	0	36	-2.0	-120.54	330.28	8.26	-112.28
CC1=CC(F)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C	REAL300000515750	1	34	-2.0	-117.69	310.17	6.42	-111.27
CC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C	REAL300000515753	0	33	-2.0	-111.90	302.74	4.53	-107.37
CC1=CC(F)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C	REAL300000515755	1	31	-2.0	-101.36	306.63	5.39	-95.97
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=C(C)C=C2F)C=C(C(=O)[O-])O1	REAL300000515758	1	37	-2.0	-107.79	328.65	6.40	-101.39
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000515759	0	39	-2.0	-100.76	359.91	6.35	-94.41
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000515760	0	39	-2.0	-91.11	355.36	6.32	-84.79
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000515761	0	39	-2.0	-102.86	355.39	6.32	-96.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1OC(C)C	REAL300000515762	0	43	-2.0	-107.65	383.53	6.11	-101.54
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000515763	0	43	-2.0	-90.40	386.83	7.61	-82.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000515764	0	42	-2.0	-107.53	377.78	5.95	-101.58
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000515765	0	39	-2.0	-98.32	368.46	6.89	-91.43
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000515766	0	39	-2.0	-99.03	367.89	6.71	-92.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)=C1C	REAL300000515767	0	45	-2.0	-105.13	388.51	7.65	-97.48
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000515768	0	39	-2.0	-99.86	360.86	6.38	-93.48
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000515769	0	45	-2.0	-89.43	398.95	7.91	-81.52
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000515770	0	36	-2.0	-97.45	348.57	5.34	-92.11
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1OC(C)C	REAL300000515771	0	42	-2.0	-103.31	370.82	7.09	-96.22
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000515772	0	43	-2.0	-89.03	386.45	6.60	-82.43
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000515773	0	40	-2.0	-101.44	362.04	5.67	-95.77
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1OC(C)C	REAL300000515774	0	43	-2.0	-103.68	379.59	5.12	-98.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)=C1	REAL300000515775	0	39	-2.0	-93.83	364.53	6.00	-87.83
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000515776	0	45	-2.0	-104.62	386.47	7.62	-97.00
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000515777	0	36	-2.0	-98.92	347.03	5.35	-93.57
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000515778	0	43	-2.0	-108.64	382.70	6.38	-102.26
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1OC(C)C	REAL300000515779	0	45	-2.0	-101.40	385.51	8.03	-93.37
CC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000515780	0	39	-2.0	-97.18	358.41	5.46	-91.72
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1OC(C)C	REAL300000515782	0	42	-2.0	-94.34	376.12	7.12	-87.22
CC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)C=C(C(=O)[O-])S1	REAL300000515783	0	39	-2.0	-100.00	364.01	6.22	-93.78
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000515784	0	39	-2.0	-88.62	368.43	6.88	-81.74
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000515785	0	39	-2.0	-90.77	359.89	6.36	-84.41
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000515786	0	36	-2.0	-92.72	347.64	5.45	-87.27
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000515787	0	39	-2.0	-94.18	361.82	6.38	-87.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)=C1F	REAL300000515788	0	42	-2.0	-101.32	381.16	7.01	-94.31
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000515789	0	39	-2.0	-90.50	360.87	6.39	-84.11
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000515790	0	39	-2.0	-88.72	367.87	6.72	-82.00
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000515791	0	39	-2.0	-92.58	366.20	6.41	-86.17
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000515792	0	40	-2.0	-102.25	365.10	4.03	-98.22
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000515792	1	39	-3.0	-198.14	361.54	4.91	-193.23
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000515793	0	42	-2.0	-94.03	377.55	7.10	-86.93
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1OC(C)C	REAL300000515794	0	42	-2.0	-99.35	365.59	6.96	-92.39
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)=CC(C(=O)[O-])=C1F	REAL300000515795	0	42	-2.0	-101.87	380.22	6.97	-94.90
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1OC(C)C	REAL300000515796	0	42	-2.0	-91.13	370.82	7.09	-84.04
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)=CC(C(=O)[O-])=C1C	REAL300000515797	0	45	-2.0	-106.08	388.24	7.39	-98.69
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000515798	0	39	-2.0	-91.99	367.12	6.44	-85.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)C(C)=C1C(=O)[O-]	REAL300000515799	0	45	-2.0	-107.41	396.63	6.70	-100.71
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000515800	0	42	-2.0	-100.95	376.72	6.92	-94.03
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000515802	0	45	-2.0	-104.76	390.13	7.53	-97.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000515803	0	43	-2.0	-102.55	383.41	6.54	-96.01
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000515804	0	42	-2.0	-92.72	375.66	6.98	-85.74
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1OC(C)C	REAL300000515805	0	42	-2.0	-101.00	375.34	7.12	-93.88
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000515806	0	39	-2.0	-107.34	359.04	6.34	-101.00
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)C=C1C(=O)[O-]	REAL300000515807	0	42	-2.0	-99.29	387.06	5.60	-93.69
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000515808	0	38	-2.0	-100.70	351.62	4.44	-96.26
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1OC(C)C	REAL300000515809	0	43	-2.0	-94.91	383.61	6.11	-88.80
CC(C)OC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000515810	0	36	-2.0	-91.32	355.51	5.31	-86.01
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300000515811	0	42	-2.0	-96.85	377.54	6.31	-90.54
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000515812	1	40	-2.0	-113.05	363.63	6.21	-106.84
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000515813	1	40	-2.0	-101.62	357.87	6.76	-94.86
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000515814	1	40	-2.0	-115.32	359.10	6.19	-109.13
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000515815	1	44	-2.0	-101.73	390.55	7.49	-94.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=NN(C)C=C2)C=C1C(=O)[O-]	REAL300000515816	1	43	-2.0	-116.96	374.76	6.71	-110.25
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000515817	0	40	-2.0	-112.02	363.35	6.81	-105.21
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000515818	0	37	-2.0	-108.72	351.07	5.76	-102.96
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1NC1=NN(C)C=C1	REAL300000515819	1	43	-2.0	-115.55	373.32	7.52	-108.03
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000515820	0	41	-2.0	-113.79	365.73	5.54	-108.25
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=NN(C)C=C2)=C1	REAL300000515821	0	40	-2.0	-104.44	366.99	6.42	-98.02
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000515822	0	37	-2.0	-111.41	350.75	5.22	-106.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=NN(C)C=C2)C=C(C(=O)[O-])O1	REAL300000515823	0	40	-2.0	-108.16	360.89	5.87	-102.29
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=NN(C)C=C2)C=C(C(=O)[O-])S1	REAL300000515824	0	40	-2.0	-111.68	367.57	6.61	-105.07
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000515825	1	40	-2.0	-102.41	363.61	6.22	-96.19
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000515826	0	37	-2.0	-103.28	350.14	5.87	-97.41
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000515827	0	40	-2.0	-106.54	365.50	6.25	-100.29
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000515828	0	40	-2.0	-101.04	363.34	6.81	-94.23
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000515829	0	41	-2.0	-114.44	367.59	4.44	-110.00
CN1C=CC(NC2=CC=CC=C2NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000515829	1	41	-2.0	-114.99	361.62	4.20	-110.79
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000515830	1	43	-2.0	-105.82	381.26	6.97	-98.85
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NC1=NN(C)C=C1	REAL300000515831	1	43	-2.0	-112.27	368.85	6.80	-105.47
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1NC1=NN(C)C=C1	REAL300000515832	1	43	-2.0	-101.62	373.29	7.51	-94.11
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=NN(C)C=C2)C=C1C(=O)[O-]	REAL300000515833	0	44	-2.0	-114.01	385.91	6.96	-107.05
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2NC2=NN(C)C=C2)=CC=C1C(=O)[O-]	REAL300000515834	1	43	-2.0	-104.59	378.75	6.83	-97.76
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000515835	0	40	-2.0	-118.13	361.52	6.77	-111.36
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000515836	0	39	-2.0	-114.14	353.29	4.26	-109.88
CN1C=CC(NC2=CC=CC=C2[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000515837	0	37	-2.0	-102.96	359.20	5.16	-97.80
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2NC2=NN(C)C=C2)C=C(C(=O)[O-])O1	REAL300000515838	0	43	-2.0	-107.86	379.88	6.73	-101.13
CCC1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000515863	0	44	-2.0	-112.26	365.85	9.10	-103.16
CCC1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000515883	0	42	-2.0	-113.12	344.29	7.23	-105.89
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)CC1(F)F	REAL300000515914	1	38	-2.0	-106.69	348.06	7.65	-99.04
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)CC1(F)F	REAL300000515916	1	38	-2.0	-109.39	343.55	7.61	-101.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(C)CC2(F)F)C=C1	REAL300000515917	0	42	-2.0	-114.29	371.69	7.42	-106.87
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2)CC1(F)F	REAL300000515918	1	42	-2.0	-95.53	374.97	8.91	-86.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3(F)F)C=C2)=C1C	REAL300000515920	1	44	-2.0	-112.61	376.19	8.97	-103.64
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)CC1(F)F	REAL300000515921	0	38	-2.0	-106.14	349.02	7.68	-98.46
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2)CC1(F)F	REAL300000515922	1	44	-2.0	-94.92	387.09	9.21	-85.71
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)CC1(F)F	REAL300000515923	0	35	-2.0	-102.90	336.73	6.63	-96.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(C)CC2(F)F)C=C1	REAL300000515924	1	41	-2.0	-109.69	358.98	8.40	-101.29
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000515926	1	39	-2.0	-107.56	350.18	6.96	-100.60
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3(F)F)C=C2)=C1	REAL300000515928	0	38	-2.0	-98.76	352.64	7.29	-91.47
CC1(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)CC1(F)F	REAL300000515930	0	35	-2.0	-105.27	335.20	6.65	-98.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(C)CC2(F)F)C=C1	REAL300000515932	1	44	-2.0	-108.08	373.69	9.33	-98.75
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000515933	0	38	-2.0	-103.06	346.54	6.75	-96.31
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3(F)F)C=C2)=C1	REAL300000515934	0	42	-2.0	-109.23	372.50	6.71	-102.52
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2(C)CC2(F)F)C=C1	REAL300000515935	1	41	-2.0	-100.71	364.24	8.44	-92.27
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000515936	1	38	-2.0	-106.12	352.15	7.51	-98.61
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)CC1(F)F	REAL300000515937	1	38	-2.0	-95.46	348.07	7.66	-87.80
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)CC1(F)F	REAL300000515938	0	35	-2.0	-98.35	335.82	6.75	-91.60
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)CC1(F)F	REAL300000515939	1	38	-2.0	-99.96	349.93	7.69	-92.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3(F)F)C=C2)=C1F	REAL300000515940	0	41	-2.0	-107.85	369.30	8.31	-99.54
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)CC1(F)F	REAL300000515941	0	38	-2.0	-95.36	349.00	7.69	-87.67
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)CC1(F)F	REAL300000515942	0	39	-2.0	-108.76	353.26	5.33	-103.43
CC1(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)CC1(F)F	REAL300000515942	1	39	-2.0	-104.64	352.45	6.13	-98.51
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)CC1(F)F	REAL300000515943	1	41	-2.0	-99.71	365.69	8.40	-91.31
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2(C)CC2(F)F)C=C1	REAL300000515944	1	41	-2.0	-106.61	357.37	8.36	-98.25
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3(F)F)C=C2)=CC(C(=O)[O-])=C1F	REAL300000515945	1	41	-2.0	-106.85	368.37	8.27	-98.58
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000515949	0	41	-2.0	-107.30	365.03	8.22	-99.08
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3(F)F)C=C2)=C1	REAL300000515950	0	41	-2.0	-112.81	368.52	8.31	-104.50
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000515952	1	42	-2.0	-108.85	371.55	7.84	-101.01
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)CC1(F)F	REAL300000515955	0	38	-2.0	-113.73	347.16	7.64	-106.09
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000515956	1	41	-2.0	-100.86	368.50	8.29	-92.57
CC1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)CC1(F)F	REAL300000515957	0	37	-2.0	-106.03	339.72	5.73	-100.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2(C)CC2(F)F)C=C1	REAL300000515958	0	42	-2.0	-100.51	371.74	7.41	-93.10
CC1(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)CC1(F)F	REAL300000515959	0	35	-2.0	-96.66	343.68	6.60	-90.06
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3(C)CC3(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000515960	0	41	-2.0	-102.93	365.66	7.60	-95.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=CC=C1F	REAL300000515961	1	33	-2.0	-99.31	322.92	5.71	-93.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1	REAL300000515962	1	33	-2.0	-97.37	317.14	5.65	-91.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1	REAL300000515963	1	33	-2.0	-102.64	318.38	5.68	-96.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(F)F)=C1	REAL300000515964	0	37	-2.0	-108.08	346.51	5.48	-102.60
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1	REAL300000515965	1	37	-2.0	-90.13	349.84	6.98	-83.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1C(=O)[O-]	REAL300000515966	1	36	-2.0	-102.35	334.66	6.23	-96.12
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1	REAL300000515967	0	33	-2.0	-98.48	331.45	6.25	-92.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=CC=C1Cl	REAL300000515968	1	33	-2.0	-105.12	329.66	6.04	-99.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1C	REAL300000515969	1	39	-2.0	-106.10	351.05	7.04	-99.06
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1	REAL300000515970	0	33	-2.0	-99.75	323.85	5.74	-94.01
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1	REAL300000515971	1	39	-2.0	-89.34	361.95	7.27	-82.07
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1	REAL300000515972	0	30	-2.0	-104.34	310.33	4.66	-99.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(F)F)=C1	REAL300000515973	1	36	-2.0	-104.00	333.80	6.46	-97.54
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1	REAL300000515974	1	37	-2.0	-95.47	348.22	5.92	-89.55
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1C(=O)[O-]	REAL300000515975	0	34	-2.0	-108.44	323.79	5.00	-103.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1	REAL300000515977	0	33	-2.0	-92.76	327.48	5.37	-87.39
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1C(=O)[O-]	REAL300000515978	1	39	-2.0	-105.47	349.44	7.03	-98.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=CS1	REAL300000515979	0	30	-2.0	-105.40	309.97	4.71	-100.69
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1C(=O)[O-]	REAL300000515980	1	37	-2.0	-115.89	344.43	5.71	-110.18
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(F)F)=C1	REAL300000515981	1	42	-2.0	-106.08	372.28	7.69	-98.39
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(F)F)=C1	REAL300000515982	1	39	-2.0	-108.06	347.31	7.36	-100.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(F)F)=C1	REAL300000515983	0	40	-2.0	-107.62	368.80	6.24	-101.38
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(C(=O)C(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000515984	0	36	-2.0	-111.37	349.16	6.21	-105.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300000515984	1	35	-3.0	-175.80	346.79	6.25	-169.55
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1	REAL300000515985	1	40	-2.0	-107.94	362.62	7.58	-100.36
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000515986	0	33	-2.0	-103.40	320.18	4.79	-98.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1	REAL300000515987	0	37	-2.0	-102.12	347.29	4.78	-97.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=CC=C1OCC(=O)[O-]	REAL300000515988	1	40	-2.0	-95.92	368.30	6.62	-89.30
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(F)F)=C1	REAL300000515989	1	36	-2.0	-94.69	339.08	6.51	-88.18
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1C(=O)[O-]	REAL300000515990	1	40	-2.0	-107.92	367.53	6.66	-101.26
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000515991	0	33	-2.0	-106.45	326.84	5.54	-100.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C(Cl)=C1	REAL300000515992	0	33	-2.0	-87.91	331.43	6.24	-81.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1F	REAL300000515993	1	33	-2.0	-97.00	321.67	5.68	-91.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)S1	REAL300000515994	0	30	-2.0	-91.67	310.65	4.80	-86.87
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1	REAL300000515995	1	33	-2.0	-93.60	324.79	5.75	-87.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1F	REAL300000515996	0	36	-2.0	-107.92	342.90	6.35	-101.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C(F)=C1	REAL300000515997	0	33	-2.0	-89.41	323.84	5.75	-83.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1Cl	REAL300000515998	1	33	-2.0	-95.00	329.64	6.05	-88.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=CC(F)=C1F	REAL300000515999	1	33	-2.0	-92.15	329.20	5.77	-86.38
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1	REAL300000516000	0	34	-2.0	-103.04	328.08	3.40	-99.64
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(=O)C(F)F)=C2)=C1	REAL300000516000	1	34	-2.0	-109.43	325.96	4.23	-105.20
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1	REAL300000516001	1	36	-2.0	-93.71	340.55	6.47	-87.24
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(F)F)=C1	REAL300000516002	1	36	-2.0	-97.72	328.44	6.33	-91.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000516003	1	36	-2.0	-108.14	341.98	6.29	-101.85
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(F)F)=C1	REAL300000516004	1	36	-2.0	-97.50	332.56	6.42	-91.08
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000516005	1	39	-2.0	-104.26	351.38	6.75	-97.51
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1	REAL300000516006	0	33	-2.0	-98.32	328.90	5.77	-92.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000516007	1	39	-2.0	-101.99	352.46	7.10	-94.89
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1C(=O)[O-]	REAL300000516008	0	36	-2.0	-101.94	343.90	6.39	-95.55
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1	REAL300000516009	0	36	-2.0	-105.70	343.41	6.37	-99.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1C(=O)[O-]	REAL300000516010	1	39	-2.0	-103.16	352.58	6.87	-96.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1CC(=O)[O-]	REAL300000516011	1	40	-2.0	-110.31	367.62	5.77	-104.54
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1C(=O)[O-]	REAL300000516012	0	37	-2.0	-101.39	346.51	5.89	-95.50
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000516013	1	36	-2.0	-97.57	333.15	6.19	-91.38
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(F)F)=C1	REAL300000516014	1	36	-2.0	-102.02	337.91	6.52	-95.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1F	REAL300000516015	0	33	-2.0	-104.96	322.04	5.72	-99.24
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C1C(=O)[O-]	REAL300000516016	1	36	-2.0	-93.52	339.40	6.25	-87.27
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C1	REAL300000516017	0	32	-2.0	-99.73	315.36	3.73	-96.00
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(F)F)=C1	REAL300000516018	0	37	-2.0	-101.49	345.34	5.45	-96.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)=C(Cl)O1	REAL300000516019	0	30	-2.0	-90.83	318.53	4.67	-86.16
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)C(F)F)=CC=C3)C=C2)CC1	REAL300000516020	1	40	-2.0	-97.07	364.50	7.57	-89.50
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)C(F)F)=CC=C3)C=C2C1	REAL300000516021	1	40	-2.0	-99.69	363.81	7.57	-92.12
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000516022	0	36	-2.0	-103.04	339.26	5.64	-97.40
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516023	1	41	-2.0	-120.38	369.04	6.02	-114.36
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516024	1	38	-2.0	-122.75	353.60	5.24	-117.51
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)C=C1F	REAL300000516025	1	37	-2.0	-117.92	334.73	4.45	-113.47
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1F	REAL300000516027	0	32	-2.0	-127.12	307.32	4.85	-122.27
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1F	REAL300000516028	0	35	-2.0	-90.13	330.43	4.24	-85.89
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1F	REAL300000516028	1	34	-3.0	-179.61	332.28	4.30	-175.31
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1F	REAL300000516029	0	31	-2.0	-108.75	310.67	3.22	-105.53
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=C1F	REAL300000516030	1	33	-2.0	-114.64	319.62	4.98	-109.66
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C=C1F	REAL300000516031	1	33	-2.0	-110.18	319.63	4.97	-105.21
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1F	REAL300000516032	0	32	-2.0	-116.12	321.05	5.17	-110.95
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=C1F	REAL300000516033	0	33	-2.0	-126.92	316.92	4.87	-122.05
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000516034	0	35	-2.0	-98.81	329.93	5.11	-93.70
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000516034	1	34	-3.0	-191.15	331.81	5.17	-185.98
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1F	REAL300000516036	1	41	-2.0	-119.88	361.64	4.52	-115.36
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1F	REAL300000516037	1	37	-2.0	-117.16	343.02	5.78	-111.38
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1F	REAL300000516038	1	35	-2.0	-110.45	337.55	5.58	-104.87
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)C=C1F	REAL300000516039	1	42	-2.0	-122.50	361.53	7.07	-115.43
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000516040	0	35	-2.0	-95.06	325.57	5.08	-89.98
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000516040	1	34	-3.0	-179.23	327.26	5.15	-174.08
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516041	0	40	-2.0	-127.40	356.56	3.66	-123.74
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=C(OC)C(F)=C2)C=C1OC	REAL300000516042	1	40	-2.0	-117.99	357.54	3.79	-114.20
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)C=C1F	REAL300000516043	1	39	-2.0	-122.60	344.33	6.49	-116.11
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)ON=C2C)C=C1F	REAL300000516044	0	34	-2.0	-108.98	311.90	3.54	-105.44
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1F	REAL300000516045	1	32	-2.0	-109.40	330.73	5.56	-103.84
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000516046	0	35	-2.0	-107.86	325.63	5.08	-102.78
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000516046	1	34	-3.0	-195.21	327.28	5.14	-190.07
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1F	REAL300000516047	1	32	-2.0	-108.10	311.51	4.70	-103.40
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C1F	REAL300000516048	0	32	-2.0	-114.02	328.68	5.67	-108.35
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1F	REAL300000516049	1	35	-2.0	-114.91	337.55	5.58	-109.33
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C)=C2)C=C1F	REAL300000516050	1	35	-2.0	-120.82	320.22	5.25	-115.57
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C1F	REAL300000516052	0	35	-2.0	-121.32	323.31	5.94	-115.38
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1F	REAL300000516053	1	32	-2.0	-115.57	315.54	5.10	-110.47
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)C=C1F	REAL300000516054	1	37	-2.0	-117.62	339.30	4.98	-112.64
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CC=C2C)C=C1F	REAL300000516055	1	38	-2.0	-119.92	335.72	6.02	-113.90
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)C=C1F	REAL300000516056	1	38	-2.0	-122.09	337.23	5.79	-116.30
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1F	REAL300000516057	1	32	-2.0	-108.48	321.40	5.15	-103.33
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)C=C1F	REAL300000516058	1	37	-2.0	-129.62	339.30	4.97	-124.65
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516060	1	41	-2.0	-113.38	375.44	6.17	-107.21
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C1F	REAL300000516061	0	32	-2.0	-116.86	327.14	5.60	-111.26
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)C=C1F	REAL300000516062	1	44	-2.0	-119.74	375.02	6.91	-112.83
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(C)C)C=C2)C=C1F	REAL300000516063	1	41	-2.0	-119.53	359.04	6.51	-113.02
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516064	1	44	-2.0	-119.55	377.49	7.17	-112.38
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=C(OC)C(F)=C1	REAL300000516065	0	38	-3.0	-197.44	355.42	4.94	-192.50
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C(=O)[O-])C=C(OC)C(F)=C1	REAL300000516065	1	39	-2.0	-109.96	352.72	4.87	-105.09
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000516066	0	39	-2.0	-93.77	357.04	6.37	-87.40
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000516066	1	38	-3.0	-176.95	358.73	6.44	-170.51
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1F	REAL300000516067	0	29	-2.0	-110.86	307.80	4.20	-106.66
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516068	1	41	-2.0	-119.07	363.20	6.80	-112.27
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2OC)C=C1F	REAL300000516069	0	36	-2.0	-126.35	327.08	4.37	-121.98
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000516070	0	38	-2.0	-108.09	341.49	5.58	-102.51
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000516070	1	37	-3.0	-197.34	343.30	5.68	-191.66
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1F	REAL300000516071	0	32	-2.0	-114.23	316.88	4.77	-109.46
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1F	REAL300000516072	1	32	-2.0	-109.99	332.28	5.61	-104.38
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1F	REAL300000516073	0	32	-2.0	-119.74	311.96	5.14	-114.60
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1F	REAL300000516074	0	34	-2.0	-115.55	327.03	5.25	-110.30
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)C=C1F	REAL300000516075	1	37	-2.0	-112.59	342.53	6.02	-106.57
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CS2)C=C1F	REAL300000516076	0	29	-2.0	-117.08	290.75	3.58	-113.50
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1F	REAL300000516078	0	34	-2.0	-131.92	319.91	6.00	-125.92
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C=C2)C=C1F	REAL300000516079	1	35	-2.0	-120.12	320.22	5.26	-114.86
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516080	1	39	-2.0	-116.98	350.16	4.81	-112.17
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1F	REAL300000516081	0	32	-2.0	-115.17	310.72	4.71	-110.46
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1F	REAL300000516082	1	32	-2.0	-115.70	305.22	4.65	-111.05
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1F	REAL300000516083	0	32	-2.0	-109.05	311.63	4.72	-104.33
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)C=C1F	REAL300000516084	1	44	-2.0	-121.49	362.90	7.33	-114.16
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1F	REAL300000516085	1	38	-2.0	-120.14	343.30	3.74	-116.40
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)C=C1F	REAL300000516087	1	47	-2.0	-121.39	390.51	7.68	-113.71
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1F	REAL300000516088	1	32	-2.0	-112.23	315.54	5.10	-107.13
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1F	REAL300000516089	0	34	-2.0	-106.06	327.03	5.25	-100.81
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1F	REAL300000516090	1	32	-2.0	-119.64	298.81	4.58	-115.06
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2)C=C1F	REAL300000516091	1	39	-2.0	-124.38	354.88	3.46	-120.92
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)S2)C=C1F	REAL300000516092	0	32	-2.0	-118.71	312.64	4.38	-114.33
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000516093	0	41	-2.0	-96.48	356.43	6.38	-90.10
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000516093	1	40	-3.0	-193.39	360.39	6.48	-186.91
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2OC)C=C1F	REAL300000516094	0	36	-2.0	-118.66	343.81	4.89	-113.77
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000516095	0	34	-3.0	-189.56	332.76	5.20	-184.36
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(CCC(C)C)C=C2)C=C1F	REAL300000516096	1	47	-2.0	-118.95	402.27	8.09	-110.86
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C=C1F	REAL300000516097	1	37	-2.0	-115.34	337.05	5.86	-109.48
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1F	REAL300000516098	0	32	-2.0	-118.00	310.72	4.71	-113.29
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000516099	0	41	-2.0	-92.29	369.25	6.66	-85.63
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000516099	1	40	-3.0	-176.04	370.84	6.73	-169.31
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516100	1	42	-2.0	-124.15	375.46	4.29	-119.86
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1F	REAL300000516101	1	36	-2.0	-113.38	334.56	1.40	-111.98
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(SC)C=C2)C=C1F	REAL300000516102	1	36	-2.0	-117.35	339.01	5.60	-111.75
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1F	REAL300000516103	1	37	-2.0	-114.91	340.83	3.04	-111.87
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=C1F	REAL300000516104	1	40	-2.0	-116.02	358.63	3.77	-112.25
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000516106	0	31	-3.0	-187.64	320.46	4.17	-183.47
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1F	REAL300000516107	1	35	-2.0	-112.84	330.55	2.08	-110.76
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000516109	0	38	-2.0	-95.28	338.86	5.83	-89.45
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000516109	1	37	-3.0	-191.08	342.71	5.93	-185.15
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)C=C1F	REAL300000516110	0	38	-2.0	-117.72	336.43	3.66	-114.06
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)C=C1F	REAL300000516111	1	40	-2.0	-112.78	360.25	6.58	-106.20
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516112	1	38	-2.0	-113.66	353.58	5.25	-108.41
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516113	1	39	-2.0	-117.99	355.25	2.86	-115.13
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C=C1F	REAL300000516114	1	36	-2.0	-117.76	333.32	1.36	-116.40
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516115	1	38	-2.0	-119.59	341.70	6.02	-113.57
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1F	REAL300000516116	1	38	-2.0	-123.75	344.76	6.86	-116.89
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=CS1	REAL300000516117	0	35	-2.0	-128.66	338.39	4.89	-123.77
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516118	1	42	-2.0	-118.30	375.38	5.09	-113.21
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1F	REAL300000516119	0	39	-2.0	-93.05	356.71	5.36	-87.69
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1F	REAL300000516119	1	38	-3.0	-175.98	358.35	5.43	-170.55
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(CC(C)C)C=C2)C=C1F	REAL300000516120	1	44	-2.0	-119.46	379.96	7.27	-112.19
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1F	REAL300000516121	1	32	-2.0	-111.30	305.22	4.65	-106.65
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1F	REAL300000516122	0	32	-2.0	-124.56	304.29	4.64	-119.92
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C1F	REAL300000516123	1	37	-2.0	-114.72	341.20	5.09	-109.63
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)C=C1F	REAL300000516124	0	40	-2.0	-137.45	360.16	5.85	-131.60
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516125	1	42	-2.0	-116.48	371.66	5.61	-110.87
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)C=C1F	REAL300000516126	0	35	-2.0	-119.85	333.36	5.81	-114.04
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C=C1F	REAL300000516127	1	38	-2.0	-115.37	349.56	1.81	-113.56
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)C=C1F	REAL300000516128	1	40	-2.0	-115.35	361.65	5.01	-110.34
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C=C1F	REAL300000516129	1	37	-2.0	-111.50	346.50	6.08	-105.42
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)C=C1F	REAL300000516130	1	38	-2.0	-114.68	352.93	4.54	-110.14
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C)C=C1F	REAL300000516131	1	35	-2.0	-110.59	320.70	5.42	-105.17
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1F	REAL300000516132	0	32	-2.0	-111.00	318.35	5.21	-105.79
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C=C2C)C=C1F	REAL300000516134	1	43	-2.0	-116.93	372.99	4.55	-112.38
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000516135	0	35	-3.0	-192.98	333.92	4.50	-188.48
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000516135	1	36	-2.0	-105.82	333.77	4.49	-101.33
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C=C1F	REAL300000516136	0	32	-2.0	-126.04	316.29	4.15	-121.89
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C=C1F	REAL300000516137	0	37	-2.0	-116.21	340.76	0.75	-115.46
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1F	REAL300000516138	0	39	-2.0	-96.74	347.70	3.87	-92.87
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516139	1	43	-2.0	-118.74	383.78	4.08	-114.66
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=C(OC)C(F)=C2)C=C1Cl	REAL300000516140	1	36	-2.0	-115.15	344.33	4.44	-110.71
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1F	REAL300000516141	1	36	-2.0	-114.91	334.53	3.96	-110.95
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)C=C1F	REAL300000516144	1	39	-2.0	-113.31	349.40	2.03	-111.28
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(N)=O)=C2)C=C1F	REAL300000516145	1	40	-2.0	-114.90	360.63	1.96	-112.94
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)N=C2)C=C1F	REAL300000516146	0	32	-2.0	-115.33	303.36	2.29	-113.04
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)C=C1F	REAL300000516147	0	37	-2.0	-105.36	342.53	6.02	-99.34
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=CN1C	REAL300000516149	0	40	-2.0	-117.06	362.70	2.24	-114.82
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)C=C1F	REAL300000516150	1	35	-2.0	-114.24	331.03	5.87	-108.37
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(OCC(C)C)C=C2)C=C1F	REAL300000516151	1	45	-2.0	-116.78	391.76	6.30	-110.48
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000516154	0	34	-3.0	-183.19	336.41	4.82	-178.37
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C=C1F	REAL300000516155	1	33	-2.0	-106.78	335.03	5.38	-101.40
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C=C1F	REAL300000516156	1	33	-2.0	-107.44	335.03	5.39	-102.05
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1F	REAL300000516157	0	41	-2.0	-95.48	354.92	6.38	-89.10
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1F	REAL300000516157	1	40	-3.0	-193.05	358.74	6.47	-186.58
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1F	REAL300000516158	1	36	-2.0	-123.46	337.17	4.95	-118.51
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)C=C1F	REAL300000516159	1	35	-2.0	-116.63	334.29	5.69	-110.94
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1F	REAL300000516160	0	32	-2.0	-121.40	320.48	5.15	-116.25
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)C(C)=C2)C=C1F	REAL300000516161	1	45	-2.0	-118.61	388.16	6.17	-112.44
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)C=C1F	REAL300000516162	1	35	-2.0	-116.42	325.55	5.29	-111.13
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)C=C1F	REAL300000516163	1	35	-2.0	-111.54	331.03	5.86	-105.68
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C=C1F	REAL300000516164	0	35	-2.0	-125.05	325.73	5.31	-119.74
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)C=C1F	REAL300000516165	1	35	-2.0	-114.05	320.71	5.42	-108.63
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)C=C1F	REAL300000516166	1	38	-2.0	-117.72	358.86	6.65	-111.07
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C=C1F	REAL300000516167	0	37	-2.0	-133.48	332.44	6.84	-126.64
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C=C1F	REAL300000516168	1	42	-2.0	-131.68	371.35	4.40	-127.28
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)C=C1F	REAL300000516169	0	40	-2.0	-137.58	360.08	5.86	-131.72
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000516170	0	31	-3.0	-189.41	318.93	4.18	-185.23
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000516170	1	32	-2.0	-104.23	318.53	4.17	-100.06
COC1=CC=C(S(=O)(=O)NC2=C(C(=O)[O-])C=C(OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000516171	0	39	-2.0	-114.23	352.88	5.14	-109.09
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)C=C1F	REAL300000516172	1	40	-2.0	-121.53	348.92	5.96	-115.57
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=CC=C1O	REAL300000516173	1	39	-2.0	-114.14	362.42	3.27	-110.87
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1F	REAL300000516174	0	34	-2.0	-123.87	326.30	6.07	-117.80
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C1F	REAL300000516175	0	34	-2.0	-128.35	332.21	5.96	-122.39
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CC=C2O)C=C1F	REAL300000516178	0	36	-2.0	-119.23	330.00	2.94	-116.29
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNN=C2)C=C1F	REAL300000516179	0	29	-2.0	-112.10	280.40	0.96	-111.14
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(OC)C=C1C(=O)[O-]	REAL300000516180	0	41	-2.0	-101.39	354.10	6.24	-95.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1C(=O)[O-]	REAL300000516180	1	40	-3.0	-185.87	352.85	6.67	-179.20
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C1F	REAL300000516181	0	35	-2.0	-123.98	338.34	5.49	-118.49
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])S1	REAL300000516182	0	35	-2.0	-111.51	346.70	4.34	-107.17
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])C=C1F	REAL300000516183	0	40	-2.0	-132.13	358.33	7.20	-124.93
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1F	REAL300000516184	0	36	-2.0	-110.12	336.63	4.95	-105.17
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1F	REAL300000516185	0	32	-2.0	-116.00	313.72	4.93	-111.07
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000516186	0	34	-3.0	-183.01	330.29	4.29	-178.72
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000516186	1	35	-2.0	-96.43	327.94	3.83	-92.60
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1F	REAL300000516187	0	35	-2.0	-140.66	327.01	3.78	-136.88
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1C(=O)[O-]	REAL300000516188	0	42	-2.0	-128.88	370.34	5.96	-122.92
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1F	REAL300000516189	1	37	-2.0	-128.75	347.15	4.75	-124.00
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1F	REAL300000516190	0	34	-2.0	-135.40	324.84	6.21	-129.19
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000516191	0	38	-3.0	-198.47	356.26	4.23	-194.24
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000516191	1	39	-2.0	-102.50	353.54	3.75	-98.75
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1F	REAL300000516192	0	39	-2.0	-118.17	359.38	5.70	-112.47
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1F	REAL300000516193	0	31	-2.0	-109.13	300.22	2.87	-106.26
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516194	0	35	-2.0	-117.21	346.86	4.24	-112.97
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1C(=O)[O-]	REAL300000516195	0	40	-2.0	-107.99	352.71	6.78	-101.21
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)C=C1F	REAL300000516196	1	37	-2.0	-121.03	334.98	5.00	-116.03
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C1F	REAL300000516197	0	31	-2.0	-110.33	323.97	3.72	-106.61
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)C=N2)C=C1F	REAL300000516198	0	32	-2.0	-127.09	302.83	3.68	-123.41
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)C=C1F	REAL300000516200	1	40	-2.0	-113.62	365.13	4.31	-109.31
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)C=C1F	REAL300000516201	0	36	-2.0	-108.31	338.57	1.56	-106.75
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=C1F	REAL300000516202	0	32	-2.0	-106.39	314.75	3.11	-103.28
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1F	REAL300000516203	0	32	-2.0	-122.67	310.59	4.71	-117.96
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C(F)=C1	REAL300000516204	0	36	-2.0	-122.22	336.81	4.17	-118.05
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1F	REAL300000516205	0	38	-2.0	-125.80	341.95	4.23	-121.57
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)C(C)=N2)C=C1F	REAL300000516206	0	35	-2.0	-129.14	322.34	3.48	-125.66
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1F	REAL300000516207	0	36	-2.0	-121.49	336.83	4.63	-116.86
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516208	1	41	-2.0	-122.37	375.46	6.16	-116.21
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=N1	REAL300000516209	0	35	-2.0	-115.75	324.90	3.14	-112.61
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516210	1	39	-2.0	-121.33	353.88	4.30	-117.03
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1F	REAL300000516211	1	37	-2.0	-118.40	334.79	3.88	-114.52
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1F	REAL300000516212	0	32	-2.0	-113.72	318.35	5.21	-108.51
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3OC(C)CC3=C2)C=C1F	REAL300000516214	1	40	-2.0	-118.65	355.73	5.18	-113.47
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=C1F	REAL300000516215	0	36	-2.0	-111.31	343.11	1.43	-109.88
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNN=C2C)C=C1F	REAL300000516216	0	32	-2.0	-113.18	299.20	1.63	-111.55
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516217	1	36	-2.0	-121.85	328.31	3.88	-117.97
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2C)C=C1F	REAL300000516218	1	35	-2.0	-118.87	314.30	5.36	-113.51
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=NN(C)C=C2)C=C1F	REAL300000516219	0	32	-2.0	-125.29	303.66	2.12	-123.17
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=NN2C)C=C1F	REAL300000516220	0	32	-2.0	-110.72	299.06	2.21	-108.51
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C=C2F)C=C1F	REAL300000516226	0	35	-2.0	-124.55	325.73	5.32	-119.23
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)C=C1F	REAL300000516227	1	35	-2.0	-112.30	325.53	5.28	-107.02
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNC=N2)C=C1F	REAL300000516228	0	29	-2.0	-124.61	280.12	1.98	-122.63
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])O1	REAL300000516229	0	35	-2.0	-112.74	338.36	3.38	-109.36
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1F	REAL300000516230	0	37	-2.0	-137.07	338.75	5.21	-131.86
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1F	REAL300000516231	0	32	-2.0	-109.07	316.99	4.77	-104.30
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000516232	0	34	-3.0	-186.58	335.90	5.03	-181.55
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000516232	1	35	-2.0	-99.04	333.59	4.59	-94.45
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1C	REAL300000516233	1	41	-2.0	-122.50	363.65	5.87	-116.63
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516234	0	36	-2.0	-120.10	341.42	4.45	-115.65
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)C=C1F	REAL300000516235	0	34	-2.0	-110.01	329.47	3.80	-106.21
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516237	1	41	-2.0	-123.97	375.79	6.03	-117.94
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)C=C1F	REAL300000516239	0	44	-2.0	-119.10	377.94	5.20	-113.90
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C=CS2)C=C1F	REAL300000516240	0	32	-2.0	-118.69	307.04	4.40	-114.29
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1C	REAL300000516241	0	41	-2.0	-118.13	357.32	4.48	-113.65
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1C	REAL300000516242	1	41	-2.0	-114.37	369.61	5.77	-108.60
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C=C1F	REAL300000516243	0	37	-2.0	-107.10	343.03	5.76	-101.34
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C1F	REAL300000516246	1	40	-2.0	-131.50	358.40	3.03	-128.47
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)C=C1F	REAL300000516247	1	36	-2.0	-112.81	335.05	5.76	-107.05
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C(NC(C)=O)=C2)C=C1F	REAL300000516248	1	42	-2.0	-140.84	373.70	4.37	-136.47
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2OC)C=C1F	REAL300000516249	0	36	-2.0	-120.81	336.46	5.05	-115.76
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)C=C1F	REAL300000516250	1	36	-2.0	-109.50	335.06	5.75	-103.75
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C=C1F	REAL300000516252	0	33	-2.0	-114.12	325.11	5.04	-109.08
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)C=C1F	REAL300000516253	1	37	-2.0	-117.35	342.46	2.24	-115.11
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C=C1F	REAL300000516254	0	38	-2.0	-116.37	343.57	3.66	-112.71
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1F	REAL300000516255	1	37	-2.0	-120.68	339.78	4.97	-115.71
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=N1	REAL300000516256	0	38	-2.0	-119.91	358.19	3.36	-116.55
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C=C1F	REAL300000516257	0	38	-2.0	-126.03	342.61	3.03	-123.00
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C=C1F	REAL300000516258	0	35	-2.0	-120.24	340.65	6.38	-113.86
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1F	REAL300000516262	1	32	-2.0	-102.42	317.81	4.77	-97.65
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C=C1F	REAL300000516263	1	43	-2.0	-116.32	381.26	6.41	-109.91
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=CN1C	REAL300000516265	0	39	-2.0	-121.88	359.98	4.69	-117.19
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516266	1	47	-2.0	-119.67	389.25	7.37	-112.30
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000516267	0	35	-2.0	-95.04	329.95	5.11	-89.93
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000516267	1	34	-3.0	-177.87	331.79	5.18	-172.69
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(N(C)C(C)=O)C=C2)C=C1F	REAL300000516268	1	42	-2.0	-128.71	377.06	5.25	-123.46
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)C=C1F	REAL300000516269	1	38	-2.0	-113.53	345.84	5.92	-107.61
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000516270	0	31	-3.0	-181.40	319.54	4.27	-177.13
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C=C1F	REAL300000516271	0	41	-2.0	-130.65	363.56	5.84	-124.81
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000516272	0	35	-2.0	-92.86	332.04	5.16	-87.70
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000516272	1	34	-3.0	-184.75	333.69	5.20	-179.55
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=CN1	REAL300000516273	0	36	-2.0	-118.56	342.22	2.92	-115.64
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000516274	0	34	-3.0	-180.18	332.74	5.21	-174.97
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)C=C1F	REAL300000516275	1	35	-2.0	-115.33	319.61	5.39	-109.94
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=CC=C1C	REAL300000516276	1	41	-2.0	-116.52	369.64	5.76	-110.76
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=CS1	REAL300000516277	0	35	-2.0	-117.46	346.09	4.26	-113.20
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)N=C(C)S2)C=C1F	REAL300000516278	0	34	-2.0	-116.09	324.04	3.15	-112.94
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C=C1F	REAL300000516279	1	36	-2.0	-122.89	341.07	5.75	-117.14
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=C([O-])C(NC(C)=O)=C2)C=C1F	REAL300000516280	1	40	-2.0	-98.48	359.04	1.46	-97.02
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516281	1	38	-2.0	-121.17	341.71	6.01	-115.16
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)C=C1F	REAL300000516282	1	35	-2.0	-116.13	326.63	5.32	-110.81
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516284	0	38	-2.0	-114.33	356.71	4.04	-110.29
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=C1F	REAL300000516285	1	38	-2.0	-114.11	350.19	3.64	-110.47
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)C=C1F	REAL300000516286	1	43	-2.0	-118.99	376.25	5.82	-113.17
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)C=C1F	REAL300000516287	0	35	-2.0	-115.70	331.03	5.33	-110.37
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1F	REAL300000516288	1	38	-2.0	-129.16	339.86	6.89	-122.27
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1F	REAL300000516289	0	34	-2.0	-117.25	330.81	4.06	-113.19
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000516290	0	35	-3.0	-187.48	336.99	2.84	-184.64
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1F	REAL300000516290	1	35	-3.0	-189.67	330.74	3.67	-186.00
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1F	REAL300000516291	1	42	-2.0	-123.92	354.12	7.20	-116.72
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000516292	0	38	-2.0	-93.75	347.83	5.85	-87.90
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000516292	1	37	-3.0	-181.29	349.45	5.93	-175.36
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])O1	REAL300000516293	0	38	-2.0	-113.06	360.22	4.31	-108.75
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1F	REAL300000516294	0	34	-2.0	-106.97	333.44	5.32	-101.65
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C=C1F	REAL300000516295	0	35	-2.0	-128.47	341.55	5.29	-123.18
COC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=C(OC)C(F)=C2)SC=C1	REAL300000516297	0	33	-2.0	-125.36	320.99	2.86	-122.50
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)C=C1F	REAL300000516298	0	38	-2.0	-120.93	355.57	5.68	-115.25
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1F	REAL300000516299	0	35	-2.0	-122.81	328.58	4.97	-117.84
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)C=C1F	REAL300000516300	0	40	-2.0	-139.45	360.33	5.82	-133.63
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1C(=O)[O-]	REAL300000516301	0	34	-2.0	-123.85	332.06	3.33	-120.52
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C=C1F	REAL300000516303	0	32	-2.0	-108.43	314.85	3.49	-104.94
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C=C1F	REAL300000516304	0	32	-2.0	-121.83	319.00	3.41	-118.42
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=CC(OC)=C1	REAL300000516305	1	40	-2.0	-123.07	357.80	3.19	-119.88
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1F	REAL300000516306	0	33	-2.0	-125.06	314.66	3.32	-121.74
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C=C1F	REAL300000516307	0	33	-2.0	-108.31	321.03	2.42	-105.89
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(C)S2)C=C1F	REAL300000516308	0	31	-2.0	-114.88	307.35	2.41	-112.47
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000516309	0	38	-2.0	-108.45	334.37	5.75	-102.70
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000516309	1	37	-3.0	-195.79	337.32	5.78	-190.01
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000516311	0	38	-2.0	-93.83	338.92	5.83	-88.00
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C=C1F	REAL300000516312	0	33	-2.0	-114.79	328.11	5.26	-109.53
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)C=C1F	REAL300000516313	0	35	-2.0	-118.27	331.00	5.35	-112.92
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000516314	0	41	-2.0	-109.37	358.23	6.12	-103.25
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000516314	1	40	-3.0	-200.12	360.15	6.21	-193.91
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=C1F	REAL300000516315	0	35	-2.0	-116.37	344.14	6.08	-110.29
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1CC	REAL300000516316	1	44	-2.0	-122.26	375.87	7.15	-115.11
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C1F	REAL300000516318	0	31	-2.0	-115.34	317.78	4.03	-111.31
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C=C1F	REAL300000516319	0	38	-2.0	-126.91	344.26	4.97	-121.94
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=N1	REAL300000516320	0	37	-2.0	-109.57	349.54	3.42	-106.15
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=C1F	REAL300000516321	0	31	-2.0	-106.24	324.26	3.75	-102.49
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000516322	0	41	-2.0	-113.39	357.96	6.47	-106.92
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516323	1	40	-2.0	-129.99	361.90	5.85	-124.14
COCCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=N1	REAL300000516324	0	39	-2.0	-113.70	358.57	2.20	-111.50
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000516325	0	37	-2.0	-125.34	349.13	5.43	-119.91
CCC1=CC=C(S(=O)(=O)NC2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000516326	0	41	-2.0	-108.75	360.04	6.28	-102.47
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000516326	1	40	-3.0	-198.53	361.21	6.33	-192.20
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=C1F	REAL300000516327	0	43	-2.0	-117.17	375.97	3.12	-114.05
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)C=C1F	REAL300000516329	0	36	-2.0	-128.59	336.10	5.39	-123.20
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C=C1F	REAL300000516330	0	41	-2.0	-119.74	371.81	6.23	-113.51
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516331	0	38	-2.0	-129.23	346.30	5.32	-123.91
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1F	REAL300000516332	0	40	-2.0	-114.15	356.85	2.33	-111.82
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)C=C1F	REAL300000516333	0	35	-2.0	-126.01	324.63	5.30	-120.71
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=N1	REAL300000516334	0	38	-2.0	-112.05	347.85	2.21	-109.84
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1F	REAL300000516335	0	39	-2.0	-133.72	344.76	4.61	-129.11
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516336	1	39	-2.0	-118.86	353.88	4.31	-114.55
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516337	0	37	-2.0	-119.20	338.09	1.57	-117.63
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)C=C1F	REAL300000516338	0	35	-2.0	-121.05	330.68	5.72	-115.33
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)OC(C)=C2)C=C1F	REAL300000516340	0	35	-2.0	-116.02	321.77	4.16	-111.86
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C=C1F	REAL300000516341	0	38	-2.0	-125.22	345.07	2.26	-122.96
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)C=C1F	REAL300000516342	1	40	-2.0	-119.55	352.51	5.21	-114.34
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1C(=O)[O-]	REAL300000516343	1	39	-2.0	-118.62	345.43	4.62	-114.00
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)C=C2)C=C1F	REAL300000516344	1	42	-2.0	-117.49	368.07	5.43	-112.06
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)O2)C=C1F	REAL300000516345	0	32	-2.0	-118.93	303.41	3.40	-115.53
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=C(C)S2)C=C1F	REAL300000516346	0	35	-2.0	-120.12	331.03	4.93	-115.19
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1F	REAL300000516347	1	35	-2.0	-114.85	324.86	3.24	-111.61
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)C=C1F	REAL300000516348	0	40	-2.0	-137.25	352.44	6.35	-130.90
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1F	REAL300000516349	0	38	-2.0	-124.08	348.09	6.60	-117.48
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1F	REAL300000516350	0	34	-2.0	-103.85	331.55	5.28	-98.57
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1F	REAL300000516351	0	32	-2.0	-109.55	321.95	5.17	-104.38
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C(C)O1	REAL300000516352	0	38	-2.0	-110.76	356.65	4.14	-106.62
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1F	REAL300000516353	0	31	-2.0	-109.43	310.56	3.27	-106.16
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])N=C1C	REAL300000516354	0	38	-2.0	-129.53	344.43	4.37	-125.16
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)C=C1F	REAL300000516355	0	35	-2.0	-120.39	333.36	5.81	-114.58
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000516356	0	38	-3.0	-194.63	355.31	5.36	-189.27
CCN1C=C(S(=O)(=O)NC2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000516356	1	39	-2.0	-106.98	355.17	5.34	-101.64
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516357	0	35	-2.0	-117.04	338.70	3.33	-113.71
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1C(=O)[O-]	REAL300000516358	0	44	-2.0	-119.36	378.30	5.14	-114.22
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)C=C1F	REAL300000516359	1	40	-2.0	-114.97	358.50	6.52	-108.45
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1F	REAL300000516360	0	32	-2.0	-123.38	314.87	5.38	-118.00
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)C=C1F	REAL300000516361	0	34	-2.0	-118.18	328.71	3.90	-114.28
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2OC)C=C1F	REAL300000516362	0	37	-2.0	-116.32	347.86	4.77	-111.55
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])S1	REAL300000516363	0	34	-2.0	-114.67	328.83	3.16	-111.51
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(F)=C(OC)C=C3C(=O)[O-])C=C12	REAL300000516364	0	39	-2.0	-107.74	360.05	2.30	-105.44
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)S2)C=C1F	REAL300000516365	0	34	-2.0	-112.67	336.94	4.91	-107.76
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(Cl)C(OC)=C2)C=C1F	REAL300000516367	0	35	-2.0	-107.92	339.66	2.53	-105.39
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=C1F	REAL300000516368	0	34	-2.0	-107.11	333.53	3.83	-103.28
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)C=C1F	REAL300000516369	0	47	-2.0	-118.14	398.08	6.06	-112.08
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2C)C=C1F	REAL300000516370	1	39	-2.0	-115.08	348.91	4.70	-110.38
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C=C1F	REAL300000516371	0	33	-2.0	-110.00	332.70	5.54	-104.46
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1F	REAL300000516372	0	35	-2.0	-129.46	326.74	4.89	-124.57
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516373	0	37	-2.0	-114.89	348.77	3.44	-111.45
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=C1F	REAL300000516374	0	29	-2.0	-112.51	303.20	3.31	-109.20
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)C=C1F	REAL300000516375	1	40	-2.0	-114.13	358.52	6.54	-107.59
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C=C1F	REAL300000516376	0	32	-2.0	-115.16	319.89	4.99	-110.17
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)C=C1F	REAL300000516380	0	32	-2.0	-111.91	327.81	4.80	-107.11
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1F	REAL300000516381	1	35	-2.0	-125.40	332.98	5.51	-119.89
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1F	REAL300000516382	0	35	-2.0	-113.54	336.74	3.48	-110.06
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2SC)C=C1F	REAL300000516383	0	36	-2.0	-125.27	334.90	5.64	-119.63
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=CC=C1F	REAL300000516384	1	36	-2.0	-111.36	334.53	3.96	-107.40
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1F	REAL300000516385	0	31	-2.0	-125.41	311.51	4.98	-120.43
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CO2)C=C1F	REAL300000516386	0	29	-2.0	-117.27	281.50	2.57	-114.70
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=NN2C)C=C1F	REAL300000516387	0	31	-2.0	-104.84	292.24	1.04	-103.80
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C=C1F	REAL300000516388	1	37	-2.0	-113.35	343.17	3.71	-109.64
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1F	REAL300000516389	0	31	-2.0	-108.05	319.98	4.34	-103.71
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516391	1	40	-2.0	-119.54	365.99	2.79	-116.75
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1F	REAL300000516392	0	36	-2.0	-121.67	326.80	4.01	-117.66
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C=C1F	REAL300000516393	0	33	-2.0	-112.77	332.74	5.54	-107.23
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C1F	REAL300000516394	0	35	-2.0	-113.99	342.77	3.64	-110.35
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1C(=O)[O-]	REAL300000516395	1	38	-2.0	-114.03	324.49	6.11	-107.92
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C=C1F	REAL300000516397	0	36	-2.0	-134.28	337.20	4.66	-129.62
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)N(CC3CC3)N=C2C)C=C1F	REAL300000516398	0	45	-2.0	-118.26	389.00	6.04	-112.22
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)C=C1F	REAL300000516399	0	40	-2.0	-137.43	356.71	5.76	-131.67
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1F	REAL300000516401	0	33	-2.0	-126.43	323.58	2.89	-123.54
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516402	0	35	-2.0	-115.73	323.39	2.06	-113.67
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC3=C(C=C2C)OCO3)C=C1F	REAL300000516404	1	38	-2.0	-114.43	340.31	4.02	-110.41
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)C=C1F	REAL300000516406	1	42	-2.0	-119.26	370.38	4.40	-114.86
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(NC(C)=O)S2)C=C1F	REAL300000516408	0	35	-2.0	-122.28	343.78	2.07	-120.21
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)C=C1F	REAL300000516408	1	34	-3.0	-189.16	340.47	0.94	-188.22
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C=C1F	REAL300000516409	1	36	-2.0	-123.12	323.53	5.90	-117.22
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C=C1F	REAL300000516410	1	36	-2.0	-122.53	341.05	5.75	-116.78
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C1F	REAL300000516411	0	32	-2.0	-111.92	328.67	5.66	-106.26
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)ON=C2N)C=C1F	REAL300000516413	0	33	-2.0	-108.64	306.35	1.95	-106.69
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=C(OC)C(F)=C1	REAL300000516414	0	36	-2.0	-121.35	343.80	4.89	-116.46
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1F	REAL300000516415	0	33	-2.0	-113.15	326.32	3.35	-109.80
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516418	1	39	-2.0	-120.33	343.79	4.66	-115.67
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C=C1F	REAL300000516420	0	30	-2.0	-107.96	311.33	4.14	-103.82
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)N=C2)C=C1F	REAL300000516421	0	34	-2.0	-116.35	315.41	3.41	-112.94
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1F	REAL300000516422	0	37	-2.0	-120.04	340.00	4.94	-115.10
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)C=C1F	REAL300000516423	1	36	-2.0	-110.38	338.78	5.47	-104.91
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1F	REAL300000516424	0	31	-2.0	-103.33	316.55	3.26	-100.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C(F)=C1	REAL300000516426	0	36	-2.0	-121.81	333.80	3.94	-117.87
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1F	REAL300000516428	1	35	-2.0	-117.05	331.00	5.45	-111.60
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C=NN2C)C=C1F	REAL300000516430	0	35	-2.0	-111.89	315.68	3.04	-108.85
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C=C1F	REAL300000516432	0	30	-2.0	-109.39	302.73	3.13	-106.26
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CSC=C2)C=C1F	REAL300000516433	0	29	-2.0	-114.90	289.92	3.49	-111.41
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=COC=C2)C=C1F	REAL300000516434	0	29	-2.0	-115.17	281.35	2.47	-112.70
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516435	0	43	-2.0	-129.20	382.15	4.10	-125.10
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000516436	0	38	-2.0	-94.58	341.42	5.61	-88.97
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000516436	1	37	-3.0	-179.88	343.28	5.68	-174.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=N1	REAL300000516437	0	35	-2.0	-111.86	325.99	1.27	-110.59
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1F	REAL300000516438	0	32	-2.0	-118.19	321.05	5.17	-113.02
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1C(=O)[O-]	REAL300000516440	0	43	-2.0	-115.26	377.40	5.73	-109.53
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C32)C=C1F	REAL300000516441	0	35	-2.0	-121.75	335.34	5.94	-115.81
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C=C1F	REAL300000516442	0	43	-2.0	-133.46	376.54	5.80	-127.66
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1F	REAL300000516443	0	35	-2.0	-123.62	325.42	3.22	-120.40
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516444	1	39	-2.0	-122.10	350.17	4.81	-117.29
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1F	REAL300000516445	0	32	-2.0	-119.23	321.15	5.44	-113.79
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1C(=O)[O-]	REAL300000516446	1	38	-2.0	-145.83	343.22	2.17	-143.66
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)C=C1F	REAL300000516447	1	41	-2.0	-123.33	366.10	7.51	-115.82
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1F	REAL300000516448	0	29	-2.0	-114.64	306.79	4.03	-110.61
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CS2)C=C1F	REAL300000516449	0	32	-2.0	-117.56	312.39	4.24	-113.32
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1F	REAL300000516450	0	29	-2.0	-113.34	297.10	1.38	-111.96
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1F	REAL300000516451	0	31	-2.0	-113.66	305.71	2.70	-110.96
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)C=C1F	REAL300000516452	0	41	-2.0	-113.70	363.34	3.64	-110.06
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C=C1F	REAL300000516453	0	41	-2.0	-112.86	367.99	3.13	-109.73
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)C=C1F	REAL300000516454	1	40	-2.0	-117.29	359.34	5.55	-111.74
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1F	REAL300000516455	0	35	-2.0	-115.84	335.00	5.05	-110.79
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=NS2)C=C1F	REAL300000516456	0	31	-2.0	-110.94	307.31	2.88	-108.06
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)N=S2(=O)CCCC2)C=C1F	REAL300000516458	1	36	-2.0	-147.00	329.97	1.86	-145.14
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1F	REAL300000516459	1	39	-2.0	-119.64	348.04	6.69	-112.95
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1F	REAL300000516460	0	29	-2.0	-116.54	297.09	3.62	-112.92
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C=C1F	REAL300000516461	0	35	-2.0	-118.35	337.45	3.43	-114.92
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1F	REAL300000516462	1	41	-2.0	-119.62	363.64	6.18	-113.44
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C=C1F	REAL300000516463	1	33	-2.0	-106.76	325.53	5.02	-101.74
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)N=S(C)(C)=O)C=C1F	REAL300000516466	1	32	-2.0	-144.04	304.17	0.52	-143.52
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C1F	REAL300000516467	0	32	-2.0	-109.05	331.40	4.77	-104.28
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=NC=CN2)C=C1F	REAL300000516468	0	29	-2.0	-119.13	280.44	1.16	-117.97
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1F	REAL300000516469	0	37	-2.0	-123.85	335.81	1.50	-122.35
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C=C(C)S2)C=C1F	REAL300000516470	0	35	-2.0	-120.29	328.93	5.21	-115.08
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=CN=C1C	REAL300000516471	0	40	-2.0	-110.72	365.05	3.93	-106.79
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1F	REAL300000516472	0	33	-2.0	-106.66	322.19	3.45	-103.21
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)C=C1F	REAL300000516473	0	34	-2.0	-108.63	326.37	3.95	-104.68
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516474	1	41	-2.0	-124.90	375.77	6.02	-118.88
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2)C=C1F	REAL300000516478	0	35	-2.0	-114.86	319.48	2.82	-112.04
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516479	1	36	-2.0	-120.15	329.90	5.67	-114.48
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)N=C2C)C=C1F	REAL300000516480	0	35	-2.0	-116.74	322.20	2.93	-113.81
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=C1F	REAL300000516481	0	32	-2.0	-107.76	314.64	3.19	-104.57
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C=C1F	REAL300000516483	1	37	-2.0	-115.69	345.24	1.78	-113.91
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1F	REAL300000516485	0	32	-2.0	-114.65	314.46	2.11	-112.54
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C1F	REAL300000516486	0	38	-2.0	-114.55	345.11	4.50	-110.05
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C=C1F	REAL300000516488	1	39	-2.0	-125.39	354.81	4.34	-121.05
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)C(OC)=C2)C=C1F	REAL300000516489	1	36	-2.0	-112.26	344.34	4.44	-107.82
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C=C1F	REAL300000516490	0	36	-2.0	-126.89	350.39	1.22	-125.67
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000516491	0	34	-3.0	-205.20	330.92	5.17	-200.03
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C1F	REAL300000516492	0	29	-2.0	-121.82	298.17	2.58	-119.24
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1F	REAL300000516493	0	34	-2.0	-130.73	330.02	4.01	-126.72
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1F	REAL300000516494	1	37	-2.0	-122.86	334.62	4.42	-118.44
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C1F	REAL300000516496	0	38	-2.0	-129.83	349.33	6.89	-122.94
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)C=C1F	REAL300000516497	0	35	-2.0	-119.28	325.38	6.08	-113.20
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1F	REAL300000516498	0	37	-2.0	-130.59	335.12	4.40	-126.19
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)C=C1F	REAL300000516504	0	35	-2.0	-126.54	328.73	5.53	-121.01
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C1F	REAL300000516505	0	31	-2.0	-109.93	323.86	3.78	-106.15
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C=C1F	REAL300000516506	1	37	-2.0	-117.87	342.67	3.04	-114.83
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=C(OC)C(F)=C1	REAL300000516508	0	36	-2.0	-121.26	333.48	4.43	-116.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000516509	1	40	-2.0	-117.22	361.21	6.43	-110.79
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(OC)C(Cl)=C2)C=C1F	REAL300000516511	0	35	-2.0	-108.49	342.07	1.82	-106.67
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CON=C2C)C=C1F	REAL300000516512	0	31	-2.0	-108.10	295.76	2.54	-105.56
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C=C1F	REAL300000516513	1	35	-2.0	-113.51	334.28	5.68	-107.83
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1F	REAL300000516514	1	38	-2.0	-128.86	346.91	5.57	-123.29
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC(C)=C2)C=C1F	REAL300000516515	0	34	-2.0	-125.95	333.40	5.78	-120.17
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)N=S(C)(=O)N(C)C)C=C1F	REAL300000516516	1	37	-2.0	-135.65	340.34	0.52	-135.13
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=C1F	REAL300000516517	1	35	-2.0	-112.14	340.81	2.77	-109.37
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1F	REAL300000516518	0	31	-2.0	-122.17	299.32	2.77	-119.40
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1F	REAL300000516521	0	31	-2.0	-107.60	300.22	2.74	-104.86
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C=C1F	REAL300000516523	0	30	-2.0	-121.77	309.24	3.97	-117.80
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1F	REAL300000516526	1	32	-2.0	-108.99	321.40	5.15	-103.84
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C1F	REAL300000516527	0	41	-2.0	-128.93	360.54	4.96	-123.97
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1F	REAL300000516528	0	40	-2.0	-129.63	351.00	5.80	-123.83
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)C=C1F	REAL300000516534	1	39	-2.0	-130.32	354.74	2.02	-128.30
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)C=C1F	REAL300000516535	1	35	-2.0	-122.70	327.22	1.29	-121.41
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)CC2(OC(C)C)CCOC2)C=C1F	REAL300000516536	1	46	-2.0	-117.71	375.08	3.47	-114.24
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(C)N2C)C=C1F	REAL300000516538	0	35	-2.0	-116.72	318.18	3.55	-113.17
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516539	1	45	-2.0	-122.85	388.84	6.24	-116.61
CCC1=NC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=CN1CC1CC1	REAL300000516542	0	45	-2.0	-131.18	397.52	6.54	-124.64
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])O1	REAL300000516543	0	38	-2.0	-113.90	356.26	3.96	-109.94
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1F	REAL300000516544	0	35	-2.0	-115.97	338.56	4.09	-111.88
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)C=C1F	REAL300000516545	1	40	-2.0	-115.59	362.49	6.92	-108.67
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C=C1F	REAL300000516546	0	35	-2.0	-104.68	340.42	3.20	-101.48
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1F	REAL300000516547	0	31	-2.0	-114.60	316.17	3.19	-111.41
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)C=C1F	REAL300000516549	0	35	-2.0	-123.11	330.90	5.36	-117.75
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C=C1F	REAL300000516551	0	34	-2.0	-131.55	327.17	3.48	-128.07
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C(C)=N1	REAL300000516552	0	44	-2.0	-116.46	386.73	5.35	-111.11
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000516553	0	33	-3.0	-193.42	323.49	3.26	-190.16
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)C=C1F	REAL300000516554	0	36	-2.0	-114.13	327.67	4.55	-109.58
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C=C1F	REAL300000516555	1	44	-2.0	-116.49	377.04	6.84	-109.65
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C=C1F	REAL300000516556	0	33	-2.0	-108.02	326.04	5.04	-102.98
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)C=C1F	REAL300000516557	0	35	-2.0	-112.06	331.96	3.22	-108.84
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1F	REAL300000516558	0	34	-2.0	-130.85	321.98	3.77	-127.08
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1F	REAL300000516558	1	34	-2.0	-117.49	322.09	3.63	-113.86
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C32)C=C1F	REAL300000516559	0	36	-2.0	-128.16	332.55	4.55	-123.61
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C=C1F	REAL300000516560	0	42	-2.0	-117.10	359.82	4.69	-112.41
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C=C1F	REAL300000516561	0	44	-2.0	-114.49	364.14	5.11	-109.38
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1F	REAL300000516563	0	42	-2.0	-117.24	366.22	4.93	-112.31
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C=C1F	REAL300000516564	0	35	-2.0	-109.30	333.11	3.48	-105.82
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1F	REAL300000516566	0	33	-2.0	-112.82	315.00	2.34	-110.48
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1F	REAL300000516566	1	33	-2.0	-98.86	308.77	3.15	-95.71
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516567	1	42	-2.0	-118.94	376.01	7.37	-111.57
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1C(=O)[O-]	REAL300000516568	0	38	-2.0	-114.17	337.92	3.64	-110.53
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)C=C1F	REAL300000516569	0	37	-2.0	-117.49	344.60	5.07	-112.42
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C=C1F	REAL300000516570	0	32	-2.0	-110.55	304.02	1.93	-108.62
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C=C2C#N)C=C1F	REAL300000516571	0	36	-2.0	-126.01	338.32	5.53	-120.48
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)C=C1F	REAL300000516572	0	36	-2.0	-123.10	330.38	5.80	-117.30
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=C1F	REAL300000516573	1	35	-2.0	-113.75	338.01	5.54	-108.21
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C=C1F	REAL300000516575	1	39	-2.0	-121.91	362.56	6.54	-115.37
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)C=C1F	REAL300000516576	1	38	-2.0	-112.60	345.67	6.76	-105.84
COC1=NSC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516577	0	32	-2.0	-107.95	318.06	0.38	-107.57
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=NS2)C=C1F	REAL300000516579	0	28	-2.0	-110.26	285.56	2.28	-107.98
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000516582	0	38	-3.0	-184.44	355.48	4.94	-179.50
COC1=CC(C(=O)[O-])=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000516582	1	39	-2.0	-102.40	352.71	4.89	-97.51
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)C=C1F	REAL300000516583	0	36	-2.0	-114.28	338.32	0.19	-114.09
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1C(=O)[O-]	REAL300000516584	1	41	-2.0	-113.92	346.10	6.87	-107.05
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1F	REAL300000516585	0	32	-2.0	-122.31	313.09	4.69	-117.62
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000516587	0	31	-3.0	-177.75	327.38	4.12	-173.63
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1F	REAL300000516588	0	37	-2.0	-129.63	335.06	5.09	-124.54
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516589	0	39	-2.0	-119.96	360.23	4.77	-115.19
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C=C1F	REAL300000516590	0	33	-2.0	-121.76	324.66	4.99	-116.77
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)N=N2)C=C1F	REAL300000516591	0	31	-2.0	-120.14	297.61	0.90	-119.24
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1F	REAL300000516592	0	39	-2.0	-116.91	348.71	4.25	-112.66
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1F	REAL300000516593	0	39	-2.0	-114.62	344.04	4.56	-110.06
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1F	REAL300000516594	0	42	-2.0	-114.74	368.22	5.18	-109.56
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C=C1F	REAL300000516595	0	43	-2.0	-124.27	373.86	2.58	-121.69
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C1F	REAL300000516596	1	38	-2.0	-115.99	349.53	1.82	-114.17
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C1F	REAL300000516597	0	29	-2.0	-116.51	302.92	3.17	-113.34
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=C(OC)C(F)=C2)C=C1F	REAL300000516598	1	36	-2.0	-107.88	344.69	4.13	-103.75
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1F	REAL300000516599	0	39	-2.0	-122.02	343.20	4.60	-117.42
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1F	REAL300000516600	0	36	-2.0	-115.65	340.00	4.02	-111.63
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)SC=C2C)C=C1F	REAL300000516601	0	35	-2.0	-115.04	321.71	5.29	-109.75
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C=C1F	REAL300000516602	0	40	-2.0	-131.83	356.13	5.16	-126.67
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C=C1F	REAL300000516603	0	40	-2.0	-116.36	367.49	4.25	-112.11
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C=C1F	REAL300000516604	1	40	-2.0	-119.84	367.09	6.79	-113.05
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(F)C=CC(F)=C2OC)C=C1F	REAL300000516605	0	36	-2.0	-122.64	335.28	5.25	-117.39
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1F	REAL300000516606	0	29	-2.0	-115.06	304.25	4.02	-111.04
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C1F	REAL300000516607	0	34	-2.0	-108.22	332.70	3.75	-104.47
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)C=C1F	REAL300000516608	0	37	-2.0	-135.07	340.54	4.17	-130.90
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1C(=O)[O-]	REAL300000516609	0	34	-2.0	-105.79	314.05	1.92	-103.87
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1F	REAL300000516611	1	33	-2.0	-106.85	313.69	3.36	-103.49
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1F	REAL300000516612	0	35	-2.0	-122.22	337.65	6.01	-116.21
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C1F	REAL300000516613	0	35	-2.0	-133.53	343.72	4.27	-129.26
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C=C1F	REAL300000516614	0	39	-2.0	-113.19	350.76	4.30	-108.89
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)C=C1F	REAL300000516615	1	41	-2.0	-116.82	354.56	6.92	-109.90
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)C=C1F	REAL300000516616	0	40	-2.0	-119.85	350.66	4.33	-115.52
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=COC3=CC=CC=C32)C=C1F	REAL300000516617	0	35	-2.0	-122.54	328.59	4.86	-117.68
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C=C1F	REAL300000516618	0	45	-2.0	-122.23	387.56	5.49	-116.74
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C=C1F	REAL300000516619	0	39	-2.0	-119.37	354.09	4.51	-114.86
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C=C1F	REAL300000516620	1	36	-2.0	-118.55	338.05	4.16	-114.39
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1F	REAL300000516621	0	35	-2.0	-127.54	328.25	3.78	-123.76
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C=C1F	REAL300000516622	0	37	-2.0	-138.90	343.36	2.98	-135.92
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C=C1F	REAL300000516623	0	39	-2.0	-118.14	336.72	6.49	-111.65
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)C=C1F	REAL300000516624	1	36	-2.0	-118.56	326.82	2.29	-116.27
COC1=NSC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=C(OC)C(F)=C1	REAL300000516625	0	32	-2.0	-115.93	316.11	0.45	-115.48
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)NC=N2)C=C1F	REAL300000516626	0	32	-2.0	-126.35	297.92	2.68	-123.67
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1F	REAL300000516628	0	35	-2.0	-116.67	332.54	4.96	-111.71
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C=C1F	REAL300000516629	0	42	-2.0	-121.04	370.33	4.99	-116.05
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1F	REAL300000516630	0	29	-2.0	-114.53	304.65	4.12	-110.41
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1F	REAL300000516631	0	42	-2.0	-117.61	372.79	5.23	-112.38
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1F	REAL300000516632	0	36	-2.0	-123.34	335.56	5.78	-117.56
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516633	1	41	-2.0	-121.29	363.20	6.79	-114.50
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516634	0	38	-2.0	-110.33	355.09	2.92	-107.41
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C=C1F	REAL300000516635	0	33	-2.0	-120.07	323.34	4.93	-115.14
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C=C1F	REAL300000516636	0	39	-2.0	-117.39	344.53	4.11	-113.28
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C)C=C1F	REAL300000516638	1	38	-2.0	-119.56	328.94	6.26	-113.30
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C=C1F	REAL300000516639	0	41	-2.0	-110.97	345.85	4.47	-106.50
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C=C1F	REAL300000516640	0	41	-2.0	-117.46	363.31	4.30	-113.16
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1F	REAL300000516641	0	39	-2.0	-117.39	347.40	3.67	-113.72
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C=C1F	REAL300000516642	0	43	-2.0	-116.73	373.08	5.41	-111.32
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1F	REAL300000516643	1	35	-2.0	-118.07	326.82	5.40	-112.67
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C1F	REAL300000516644	0	32	-2.0	-115.84	320.36	4.97	-110.87
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C1F	REAL300000516645	0	32	-2.0	-109.23	330.54	4.69	-104.54
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=NN2C)C=C1F	REAL300000516646	0	35	-2.0	-112.05	321.00	2.81	-109.24
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C)C=C1F	REAL300000516648	1	38	-2.0	-120.00	331.31	5.89	-114.11
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1F	REAL300000516649	0	35	-2.0	-117.59	326.60	5.59	-112.00
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516650	1	43	-2.0	-129.34	383.40	6.61	-122.73
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(COC(C)=O)C=C2)C=C1F	REAL300000516652	1	41	-2.0	-119.28	377.24	6.24	-113.04
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C=C1F	REAL300000516653	0	33	-2.0	-117.30	331.47	5.43	-111.87
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1F	REAL300000516654	0	32	-2.0	-116.94	318.38	4.80	-112.14
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1F	REAL300000516655	1	39	-2.0	-121.71	348.03	6.69	-115.02
COC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=C(OC)C(F)=C2)C=CS1	REAL300000516656	0	33	-2.0	-122.24	321.08	3.02	-119.22
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1F	REAL300000516657	0	39	-2.0	-123.65	353.53	6.75	-116.90
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1F	REAL300000516658	0	42	-2.0	-115.23	363.63	5.18	-110.05
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(OC)C=C1C(=O)[O-]	REAL300000516659	0	41	-2.0	-113.88	358.75	4.49	-109.39
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1	REAL300000516660	1	41	-2.0	-124.63	370.02	2.10	-122.53
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C=C1F	REAL300000516662	0	37	-2.0	-130.16	342.41	2.93	-127.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])O1	REAL300000516663	0	35	-2.0	-118.97	324.90	4.18	-114.79
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1F	REAL300000516664	0	32	-2.0	-110.81	322.67	3.80	-107.01
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2OC)C=C1F	REAL300000516665	0	36	-2.0	-113.02	339.74	4.50	-108.52
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C=C1F	REAL300000516666	1	38	-2.0	-119.86	352.03	6.11	-113.75
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1F	REAL300000516667	1	36	-2.0	-118.75	338.06	4.16	-114.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])S1	REAL300000516668	0	33	-2.0	-115.33	322.61	3.03	-112.30
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1F	REAL300000516669	0	35	-2.0	-112.43	331.49	3.28	-109.15
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516670	1	42	-2.0	-121.46	375.74	5.27	-116.19
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1F	REAL300000516671	0	45	-2.0	-116.74	385.20	5.52	-111.22
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1F	REAL300000516672	1	35	-2.0	-122.19	320.50	5.50	-116.69
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN32)C=C1F	REAL300000516673	0	35	-2.0	-123.07	324.32	4.98	-118.09
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1F	REAL300000516674	1	34	-2.0	-121.02	329.75	3.98	-117.04
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=N1	REAL300000516675	0	34	-2.0	-116.24	319.53	1.45	-114.79
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1Cl	REAL300000516676	0	35	-2.0	-112.33	340.48	3.51	-108.82
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1F	REAL300000516677	0	29	-2.0	-112.01	298.56	3.19	-108.82
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C=C1F	REAL300000516678	1	41	-2.0	-130.13	357.58	7.42	-122.71
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)C=C1F	REAL300000516679	1	39	-2.0	-118.48	356.74	4.95	-113.53
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C1F	REAL300000516680	0	32	-2.0	-113.55	326.33	5.19	-108.36
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1F	REAL300000516682	0	36	-2.0	-119.54	342.63	5.90	-113.64
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C=C1F	REAL300000516683	0	35	-2.0	-106.26	344.29	5.38	-100.88
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CO2)C=C1F	REAL300000516685	0	32	-2.0	-118.02	303.40	3.25	-114.77
COC1=CSC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=C(OC)C(F)=C2)=C1OC	REAL300000516686	0	37	-2.0	-117.22	351.82	2.59	-114.63
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1F	REAL300000516687	0	31	-2.0	-102.86	316.44	3.21	-99.65
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C=C1F	REAL300000516688	0	38	-2.0	-118.28	343.24	4.52	-113.76
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C=C1F	REAL300000516689	1	39	-2.0	-127.45	352.54	6.34	-121.11
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C=C1F	REAL300000516690	0	32	-2.0	-111.68	318.70	2.64	-109.04
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C=C1F	REAL300000516691	0	38	-2.0	-129.70	335.40	6.38	-123.32
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C=C1F	REAL300000516692	0	30	-2.0	-115.87	302.97	3.03	-112.84
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)C=C1F	REAL300000516693	0	34	-2.0	-107.30	326.56	3.97	-103.33
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516694	1	43	-2.0	-122.92	382.45	6.21	-116.71
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000516695	0	42	-2.0	-119.81	375.62	5.38	-114.43
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)C=C1F	REAL300000516696	0	36	-2.0	-123.93	337.05	3.93	-120.00
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)NC(=O)NC2=O)C=C1F	REAL300000516697	1	35	-2.0	-120.63	321.52	0.55	-120.08
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=NN2C2CCCC2)C=C1F	REAL300000516699	0	45	-2.0	-116.70	385.50	5.80	-110.90
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1F	REAL300000516700	0	29	-2.0	-113.93	297.59	3.08	-110.85
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1F	REAL300000516701	0	29	-2.0	-111.70	307.62	4.09	-107.61
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C=C1F	REAL300000516702	0	40	-2.0	-114.98	351.13	2.34	-112.64
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1F	REAL300000516703	1	39	-2.0	-122.09	342.37	6.75	-115.34
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C(C)=N1	REAL300000516706	1	38	-2.0	-111.52	341.66	2.01	-109.51
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)C=C1F	REAL300000516707	0	38	-2.0	-123.77	346.23	2.39	-121.38
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2OC)C=C1F	REAL300000516708	0	35	-2.0	-116.45	341.53	2.26	-114.19
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)C=C1F	REAL300000516709	0	38	-2.0	-113.27	346.13	2.00	-111.27
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C=C1F	REAL300000516710	0	41	-2.0	-117.24	366.21	4.68	-112.56
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)C=C1F	REAL300000516711	0	41	-2.0	-117.57	362.42	4.32	-113.25
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C=C1F	REAL300000516712	0	30	-2.0	-118.16	301.79	2.98	-115.18
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C=C1F	REAL300000516713	0	30	-2.0	-114.81	310.87	3.92	-110.89
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C=C1F	REAL300000516714	0	38	-2.0	-113.21	340.52	3.86	-109.35
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C1C	REAL300000516715	0	40	-2.0	-110.47	365.59	3.96	-106.51
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C=C1F	REAL300000516716	0	35	-2.0	-123.36	340.67	6.39	-116.97
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1F	REAL300000516717	0	39	-2.0	-112.53	351.02	4.69	-107.84
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1F	REAL300000516718	0	39	-2.0	-120.46	350.76	5.79	-114.67
COC1=NOC(CS(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])=C1	REAL300000516719	1	35	-2.0	-110.03	329.88	0.93	-109.10
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)C=C1F	REAL300000516720	0	41	-2.0	-115.98	361.90	4.39	-111.59
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1F	REAL300000516721	0	34	-2.0	-118.59	328.04	3.70	-114.89
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C=C1F	REAL300000516723	0	36	-2.0	-121.70	349.27	5.05	-116.65
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1F	REAL300000516724	1	33	-2.0	-120.20	309.83	1.73	-118.47
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C1F	REAL300000516725	0	35	-2.0	-122.77	336.49	5.51	-117.26
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CSN=C2)C=C1F	REAL300000516726	0	28	-2.0	-108.08	284.46	2.19	-105.89
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1F	REAL300000516727	0	36	-2.0	-131.70	346.71	3.84	-127.86
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C=C1F	REAL300000516728	0	40	-2.0	-137.87	356.52	5.74	-132.13
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(OC)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000516729	0	37	-3.0	-180.76	345.61	5.03	-175.73
CCC1=C(S(=O)(=O)NC2=CC(F)=C(OC)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000516729	1	38	-2.0	-95.94	345.77	4.66	-91.28
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)C=C1F	REAL300000516730	0	45	-2.0	-129.87	388.26	6.58	-123.29
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)C=C1F	REAL300000516731	0	32	-2.0	-109.61	324.07	4.98	-104.63
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CN=CS2)C=C1F	REAL300000516732	0	28	-2.0	-113.01	285.40	1.70	-111.31
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1F	REAL300000516733	0	39	-2.0	-118.19	344.54	3.89	-114.30
COC1=CC(C(=O)[O-])=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C=C1F	REAL300000516734	0	35	-2.0	-125.05	325.73	5.31	-119.74
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000516735	1	41	-2.0	-119.44	368.96	6.07	-113.37
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000516736	1	38	-2.0	-122.04	353.52	5.28	-116.76
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516737	1	37	-2.0	-117.90	334.61	4.48	-113.42
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C(C(=O)[O-])C=C1F	REAL300000516739	0	32	-2.0	-126.01	307.19	4.89	-121.12
COC1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516740	0	35	-2.0	-90.85	330.40	4.27	-86.58
COC1=CC([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516740	1	34	-3.0	-178.38	332.16	4.33	-174.05
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C(C(=O)[O-])C=C1F	REAL300000516741	0	31	-2.0	-108.50	310.55	3.27	-105.23
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C(C(=O)[O-])C=C1F	REAL300000516742	1	33	-2.0	-114.15	319.49	5.02	-109.13
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516743	1	33	-2.0	-109.88	319.51	5.02	-104.86
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C(C(=O)[O-])C=C1F	REAL300000516744	0	32	-2.0	-115.62	320.92	5.20	-110.42
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=C(C(=O)[O-])C=C1F	REAL300000516745	0	33	-2.0	-126.28	316.78	4.90	-121.38
COC1=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516746	0	35	-2.0	-97.23	329.89	5.15	-92.08
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516746	1	34	-3.0	-189.85	331.69	5.22	-184.63
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516748	1	41	-2.0	-119.52	361.51	4.57	-114.95
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516749	1	37	-2.0	-116.60	342.89	5.82	-110.78
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516750	1	35	-2.0	-109.97	337.42	5.62	-104.35
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516751	1	42	-2.0	-121.62	361.40	7.12	-114.50
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C(C(=O)[O-])C=C1F	REAL300000516752	0	35	-2.0	-96.83	325.42	5.12	-91.71
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C(C(=O)[O-])C=C1F	REAL300000516752	1	34	-3.0	-178.16	327.13	5.19	-172.97
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000516753	0	40	-2.0	-126.20	356.48	3.70	-122.50
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=C(F)C(OC)=C2)C=C1OC	REAL300000516754	1	40	-2.0	-117.46	357.44	3.83	-113.63
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516755	1	39	-2.0	-121.72	344.20	6.54	-115.18
COC1=CC([N-]S(=O)(=O)C2=C(C)ON=C2C)=C(C(=O)[O-])C=C1F	REAL300000516756	0	34	-2.0	-108.88	313.61	3.55	-105.33
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C(C(=O)[O-])C=C1F	REAL300000516757	1	32	-2.0	-109.00	330.61	5.61	-103.39
COC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516758	0	35	-2.0	-110.54	325.52	5.11	-105.43
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516758	1	34	-3.0	-193.72	327.15	5.17	-188.55
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000516759	1	32	-2.0	-107.76	311.40	4.74	-103.02
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000516760	0	32	-2.0	-113.34	328.55	5.70	-107.64
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C(C(=O)[O-])C=C1F	REAL300000516761	1	35	-2.0	-114.25	337.77	5.65	-108.60
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000516762	1	35	-2.0	-119.89	320.12	5.29	-114.60
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C(C(=O)[O-])C=C1F	REAL300000516764	0	35	-2.0	-120.70	323.23	5.96	-114.74
COC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C(C(=O)[O-])C=C1F	REAL300000516765	1	32	-2.0	-114.85	315.42	5.15	-109.70
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516766	1	37	-2.0	-117.17	339.95	5.04	-112.13
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2C)=C(C(=O)[O-])C=C1F	REAL300000516767	1	38	-2.0	-119.02	335.58	6.06	-112.96
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000516768	1	38	-2.0	-121.17	337.11	5.83	-115.34
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C(C(=O)[O-])C=C1F	REAL300000516769	1	32	-2.0	-108.05	321.29	5.20	-102.85
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)=C(C(=O)[O-])C=C1F	REAL300000516770	1	37	-2.0	-129.02	341.46	5.11	-123.91
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2C)=C(C(=O)[O-])C=C1F	REAL300000516771	1	38	-2.0	-118.51	335.59	6.06	-112.45
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000516772	0	41	-2.0	-112.87	375.36	6.22	-106.65
COC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000516773	0	32	-2.0	-116.44	327.01	5.64	-110.80
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516774	1	44	-2.0	-119.09	374.90	6.94	-112.15
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)C)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516775	1	41	-2.0	-118.87	358.91	6.56	-112.31
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000516776	1	44	-2.0	-118.32	377.42	7.22	-111.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=C(F)C(OC)=C1	REAL300000516777	0	38	-3.0	-195.22	355.29	4.97	-190.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=C(C(=O)[O-])C=C(F)C(OC)=C1	REAL300000516777	1	39	-2.0	-95.97	355.21	4.95	-91.02
COC1=CC(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C(C(=O)[O-])C=C1F	REAL300000516778	0	39	-2.0	-95.68	356.88	6.41	-89.27
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C(C(=O)[O-])C=C1F	REAL300000516778	1	38	-3.0	-176.11	358.60	6.48	-169.63
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C(C(=O)[O-])C=C1F	REAL300000516779	0	29	-2.0	-110.62	307.67	4.25	-106.37
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000516780	1	41	-2.0	-118.28	363.15	6.84	-111.44
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC)=C(C(=O)[O-])C=C1F	REAL300000516781	0	36	-2.0	-125.31	326.95	4.41	-120.90
COC1=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516782	0	38	-2.0	-110.89	342.01	5.68	-105.21
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516782	1	37	-3.0	-195.80	343.17	5.71	-190.09
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C(C(=O)[O-])C=C1F	REAL300000516783	0	32	-2.0	-114.02	316.75	4.81	-109.21
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C(C(=O)[O-])C=C1F	REAL300000516784	1	32	-2.0	-109.41	332.15	5.66	-103.75
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000516785	0	32	-2.0	-119.07	311.82	5.18	-113.89
COC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516786	0	34	-2.0	-115.03	326.91	5.29	-109.74
COC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)=C(C(=O)[O-])C=C1F	REAL300000516787	0	37	-2.0	-111.75	342.40	6.06	-105.69
COC1=CC([N-]S(=O)(=O)C2=CC=CS2)=C(C(=O)[O-])C=C1F	REAL300000516788	0	29	-2.0	-116.61	290.62	3.63	-112.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000516789	1	36	-2.0	-116.49	328.24	3.92	-112.57
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C(C(=O)[O-])C=C1F	REAL300000516790	0	34	-2.0	-131.73	317.21	6.00	-125.73
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516791	1	35	-2.0	-119.25	320.11	5.29	-113.96
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000516792	1	39	-2.0	-116.28	350.08	4.86	-111.42
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C(C(=O)[O-])C=C1F	REAL300000516793	0	32	-2.0	-114.67	310.60	4.76	-109.91
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000516794	1	32	-2.0	-115.12	305.10	4.68	-110.44
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000516795	0	32	-2.0	-108.71	311.50	4.76	-103.95
COC1=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)=C(C(=O)[O-])C=C1F	REAL300000516796	1	44	-2.0	-120.72	362.77	7.38	-113.34
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516797	1	38	-2.0	-119.54	343.18	3.78	-115.76
COC1=CC([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)=C(C(=O)[O-])C=C1F	REAL300000516799	1	47	-2.0	-120.51	390.38	7.71	-112.80
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516800	1	32	-2.0	-111.70	315.42	5.15	-106.55
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C(C(=O)[O-])C=C1F	REAL300000516801	0	34	-2.0	-105.90	326.91	5.30	-100.60
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C(C(=O)[O-])C=C1F	REAL300000516802	1	32	-2.0	-118.88	298.68	4.62	-114.26
COC1=CC([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516803	1	39	-2.0	-123.65	355.07	3.50	-120.15
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)S2)=C(C(=O)[O-])C=C1F	REAL300000516804	0	32	-2.0	-117.85	312.52	4.42	-113.43
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C(C(=O)[O-])C=C1F	REAL300000516805	0	41	-2.0	-96.00	353.13	5.96	-90.04
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C(C(=O)[O-])C=C1F	REAL300000516805	1	40	-3.0	-191.32	360.26	6.52	-184.80
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2OC)=C(C(=O)[O-])C=C1F	REAL300000516806	0	36	-2.0	-117.93	343.68	4.94	-112.99
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(C(=O)[O-])C=C1F	REAL300000516807	0	34	-3.0	-187.50	332.63	5.24	-182.26
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(C)C)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516808	1	47	-2.0	-118.22	402.15	8.14	-110.08
COC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=C(C(=O)[O-])C=C1F	REAL300000516809	1	37	-2.0	-115.16	336.93	5.89	-109.27
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C(C(=O)[O-])C=C1F	REAL300000516810	0	32	-2.0	-117.29	310.59	4.75	-112.54
COC1=CC(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C(C(=O)[O-])C=C1F	REAL300000516811	0	41	-2.0	-94.04	369.09	6.70	-87.34
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C(C(=O)[O-])C=C1F	REAL300000516811	1	40	-3.0	-174.99	370.73	6.78	-168.21
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000516812	1	42	-2.0	-123.23	375.38	4.33	-118.90
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516813	1	36	-2.0	-113.13	334.43	1.43	-111.70
COC1=CC([N-]S(=O)(=O)C2=CC=C(SC)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516814	1	36	-2.0	-116.73	338.90	5.64	-111.09
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516815	1	37	-2.0	-114.50	340.71	3.08	-111.42
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516816	1	40	-2.0	-115.62	358.51	3.81	-111.81
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(C(=O)[O-])C=C1F	REAL300000516818	0	31	-3.0	-186.35	320.34	4.20	-182.15
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516819	1	35	-2.0	-112.62	330.44	2.12	-110.50
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C(C(=O)[O-])C=C1F	REAL300000516821	0	38	-2.0	-93.01	338.72	5.86	-87.15
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C(C(=O)[O-])C=C1F	REAL300000516821	1	37	-3.0	-188.98	342.58	5.98	-183.00
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)=C(C(=O)[O-])C=C1F	REAL300000516822	0	38	-2.0	-117.33	336.30	3.70	-113.63
COC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)=C(C(=O)[O-])C=C1F	REAL300000516823	0	40	-2.0	-111.94	360.12	6.62	-105.32
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000516824	0	38	-2.0	-113.22	353.52	5.30	-107.92
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000516825	1	39	-2.0	-117.52	355.17	2.91	-114.61
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516826	1	36	-2.0	-117.35	333.21	1.41	-115.94
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000516827	1	38	-2.0	-118.75	341.63	6.07	-112.68
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C(C(=O)[O-])C=C1F	REAL300000516828	1	38	-2.0	-122.86	344.63	6.90	-115.96
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=CS1	REAL300000516829	0	35	-2.0	-127.83	338.32	4.94	-122.89
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000516830	1	42	-2.0	-117.56	375.32	5.14	-112.42
COC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C(C(=O)[O-])C=C1F	REAL300000516831	0	39	-2.0	-95.31	356.45	5.40	-89.91
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C(C(=O)[O-])C=C1F	REAL300000516831	1	38	-3.0	-175.12	358.22	5.47	-169.65
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(C)C)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516832	1	44	-2.0	-118.64	379.84	7.31	-111.33
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516833	1	32	-2.0	-110.77	305.09	4.69	-106.08
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C(C(=O)[O-])C=C1F	REAL300000516834	0	32	-2.0	-123.75	304.18	4.68	-119.07
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C(C(=O)[O-])C=C1F	REAL300000516835	1	37	-2.0	-114.24	341.07	5.12	-109.12
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)=C(C(=O)[O-])C=C1F	REAL300000516836	0	40	-2.0	-136.46	360.04	5.89	-130.57
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000516837	1	42	-2.0	-115.80	371.58	5.66	-110.14
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000516838	0	35	-2.0	-119.11	333.24	5.86	-113.25
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516839	1	38	-2.0	-115.10	349.43	1.86	-113.24
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)=C(C(=O)[O-])C=C1F	REAL300000516840	1	40	-2.0	-115.05	361.52	5.06	-109.99
COC1=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516841	1	37	-2.0	-111.40	346.37	6.12	-105.28
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)=C(C(=O)[O-])C=C1F	REAL300000516842	1	38	-2.0	-114.53	352.81	4.58	-109.95
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C)=C(C(=O)[O-])C=C1F	REAL300000516843	1	35	-2.0	-110.04	320.57	5.47	-104.57
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000516844	0	32	-2.0	-110.60	318.22	5.25	-105.35
COC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C=C2C)=C(C(=O)[O-])C=C1F	REAL300000516846	1	43	-2.0	-116.32	372.87	4.59	-111.73
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516847	0	35	-3.0	-191.66	333.79	4.54	-187.12
COC1=CC(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516847	1	36	-2.0	-108.29	333.64	4.51	-103.78
COC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=C(C(=O)[O-])C=C1F	REAL300000516848	0	32	-2.0	-125.26	316.15	4.18	-121.08
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=C(C(=O)[O-])C=C1F	REAL300000516849	0	37	-2.0	-115.81	340.64	0.78	-115.03
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C(C(=O)[O-])C=C1F	REAL300000516850	0	39	-2.0	-94.60	347.62	3.89	-90.71
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000516851	1	43	-2.0	-118.06	383.71	4.13	-113.93
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=C(F)C(OC)=C2)C=C1Cl	REAL300000516852	1	36	-2.0	-114.67	344.23	4.49	-110.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000516853	1	36	-2.0	-114.35	334.47	4.00	-110.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1C	REAL300000516854	1	39	-2.0	-117.82	348.31	4.67	-113.15
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1C	REAL300000516855	1	42	-2.0	-117.57	370.18	5.60	-111.97
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)=C(C(=O)[O-])C=C1F	REAL300000516856	1	39	-2.0	-112.82	349.28	2.08	-110.74
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(N)=O)=C2)=C(C(=O)[O-])C=C1F	REAL300000516857	1	40	-2.0	-114.59	360.51	2.00	-112.59
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2)=C(C(=O)[O-])C=C1F	REAL300000516858	0	32	-2.0	-114.94	303.23	2.33	-112.61
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)=C(C(=O)[O-])C=C1F	REAL300000516859	0	37	-2.0	-105.17	342.40	6.06	-99.11
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=CN1C	REAL300000516861	0	40	-2.0	-116.57	362.62	2.28	-114.29
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)=C(C(=O)[O-])C=C1F	REAL300000516862	1	35	-2.0	-113.44	330.90	5.92	-107.52
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(C)C)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516863	1	45	-2.0	-116.01	391.63	6.35	-109.66
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(OC)C(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000516865	1	42	-2.0	-118.74	372.27	5.51	-113.23
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C(C(=O)[O-])C=C1F	REAL300000516866	0	34	-3.0	-182.07	336.26	4.87	-177.20
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=C(C(=O)[O-])C=C1F	REAL300000516867	1	33	-2.0	-106.70	334.91	5.43	-101.27
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=C(C(=O)[O-])C=C1F	REAL300000516868	1	33	-2.0	-107.24	334.95	5.43	-101.81
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C(C(=O)[O-])C=C1F	REAL300000516869	0	41	-2.0	-93.02	354.77	6.41	-86.61
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C(C(=O)[O-])C=C1F	REAL300000516869	1	40	-3.0	-190.95	358.61	6.52	-184.43
COC1=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C(C(=O)[O-])C=C1F	REAL300000516870	1	36	-2.0	-122.88	337.05	5.00	-117.88
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)=C(C(=O)[O-])C=C1F	REAL300000516871	1	35	-2.0	-115.96	334.16	5.72	-110.24
COC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C(C(=O)[O-])C=C1F	REAL300000516872	0	32	-2.0	-120.89	320.35	5.18	-115.71
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)C(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000516873	1	45	-2.0	-118.01	388.05	6.22	-111.79
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000516874	1	35	-2.0	-115.79	325.42	5.34	-110.45
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)=C(C(=O)[O-])C=C1F	REAL300000516875	1	35	-2.0	-111.07	330.90	5.90	-105.17
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=C(C(=O)[O-])C=C1F	REAL300000516876	0	35	-2.0	-124.13	325.60	5.36	-118.77
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C)=C(C(=O)[O-])C=C1F	REAL300000516877	1	35	-2.0	-113.37	320.58	5.45	-107.92
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516878	1	38	-2.0	-117.17	358.73	6.69	-110.48
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=C(C(=O)[O-])C=C1F	REAL300000516879	0	37	-2.0	-133.19	332.32	6.87	-126.32
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)=C(C(=O)[O-])C=C1F	REAL300000516880	1	42	-2.0	-130.81	370.84	4.47	-126.34
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)=C(C(=O)[O-])C=C1F	REAL300000516881	0	40	-2.0	-136.32	359.96	5.91	-130.41
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516882	0	31	-3.0	-188.20	318.80	4.23	-183.97
COC1=CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516882	1	32	-2.0	-106.66	318.41	4.20	-102.46
COC1=CC=C(S(=O)(=O)NC2=C(C(=O)[O-])C=C(F)C(OC)=C2)C=C1C(=O)[O-]	REAL300000516883	0	39	-2.0	-116.85	352.69	5.19	-111.66
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=C(F)C(OC)=C2)C=C1C(=O)[O-]	REAL300000516883	1	38	-3.0	-200.01	354.45	5.25	-194.76
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)=C(C(=O)[O-])C=C1F	REAL300000516884	1	40	-2.0	-120.80	348.79	6.00	-114.80
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=CC=C1O	REAL300000516885	1	39	-2.0	-113.45	362.35	3.33	-110.12
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C(C(=O)[O-])C=C1F	REAL300000516886	0	34	-2.0	-123.35	326.17	6.11	-117.24
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C(C(=O)[O-])C=C1F	REAL300000516887	0	34	-2.0	-128.06	332.08	6.00	-122.06
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2O)=C(C(=O)[O-])C=C1F	REAL300000516890	0	36	-2.0	-118.01	329.88	2.99	-115.02
COC1=CC([N-]S(=O)(=O)C2=CNN=C2)=C(C(=O)[O-])C=C1F	REAL300000516891	0	29	-2.0	-111.98	280.27	1.01	-110.97
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(OC)=C(F)C=C1C(=O)[O-]	REAL300000516892	0	41	-2.0	-93.20	357.38	6.76	-86.44
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=C(F)C=C1C(=O)[O-]	REAL300000516892	1	40	-3.0	-183.65	352.78	6.71	-176.94
COC1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C(C(=O)[O-])C=C1F	REAL300000516893	0	35	-2.0	-123.30	338.21	5.51	-117.79
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])S1	REAL300000516894	0	35	-2.0	-111.14	346.62	4.38	-106.76
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])=C(C(=O)[O-])C=C1F	REAL300000516895	0	40	-2.0	-131.48	358.87	7.27	-124.21
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C(C(=O)[O-])C=C1F	REAL300000516896	0	36	-2.0	-110.05	336.50	5.00	-105.05
COC1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C(C(=O)[O-])C=C1F	REAL300000516897	0	32	-2.0	-115.15	313.60	4.96	-110.19
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516898	0	34	-3.0	-181.58	330.16	4.32	-177.26
COC1=CC(NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516898	1	35	-2.0	-89.99	325.67	3.76	-86.23
COC1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C(C(=O)[O-])C=C1F	REAL300000516899	0	35	-2.0	-139.34	326.88	3.82	-135.52
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(OC)=C(F)C=C1C(=O)[O-]	REAL300000516900	0	42	-2.0	-127.61	370.26	6.00	-121.61
COC1=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C(C(=O)[O-])C=C1F	REAL300000516901	1	37	-2.0	-128.22	347.02	4.79	-123.43
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C(C(=O)[O-])C=C1F	REAL300000516902	0	34	-2.0	-134.40	324.71	6.23	-128.17
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C(C(=O)[O-])C=C1F	REAL300000516903	0	38	-3.0	-197.30	356.14	4.26	-193.04
COC1=CC(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C(C(=O)[O-])C=C1F	REAL300000516903	1	39	-2.0	-104.53	348.03	3.62	-100.91
COC1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C(C(=O)[O-])C=C1F	REAL300000516904	0	39	-2.0	-117.86	359.25	5.75	-112.11
COC1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000516905	0	31	-2.0	-108.81	300.11	2.90	-105.91
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000516906	0	35	-2.0	-116.67	346.79	4.29	-112.38
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC)=C(F)C=C1C(=O)[O-]	REAL300000516907	0	40	-2.0	-107.11	352.66	6.83	-100.28
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=C(C(=O)[O-])C=C1F	REAL300000516908	1	37	-2.0	-120.30	334.85	5.06	-115.24
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000516909	0	31	-2.0	-110.33	323.85	3.74	-106.59
COC1=CC([N-]S(=O)(=O)C2=CN(C)C=N2)=C(C(=O)[O-])C=C1F	REAL300000516910	0	32	-2.0	-129.84	302.87	3.71	-126.13
COC1=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)=C(C(=O)[O-])C=C1F	REAL300000516912	0	40	-2.0	-113.48	365.01	4.34	-109.14
COC1=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)=C(C(=O)[O-])C=C1F	REAL300000516913	0	36	-2.0	-108.32	338.44	1.61	-106.71
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=C(C(=O)[O-])C=C1F	REAL300000516914	0	32	-2.0	-106.43	314.63	3.15	-103.28
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C(C(=O)[O-])C=C1F	REAL300000516915	0	32	-2.0	-122.26	310.46	4.74	-117.52
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000516916	0	36	-2.0	-121.30	336.73	4.22	-117.08
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C(C(=O)[O-])C=C1F	REAL300000516917	0	38	-2.0	-125.00	341.82	4.25	-120.75
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C)=N2)=C(C(=O)[O-])C=C1F	REAL300000516918	0	35	-2.0	-128.24	322.22	3.51	-124.73
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C(C(=O)[O-])C=C1F	REAL300000516919	0	36	-2.0	-120.69	336.71	4.67	-116.02
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000516920	1	41	-2.0	-121.62	375.40	6.20	-115.42
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=N1	REAL300000516921	0	35	-2.0	-115.22	324.82	3.19	-112.03
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000516922	1	39	-2.0	-120.37	353.80	4.34	-116.03
COC1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516923	1	37	-2.0	-117.81	334.67	3.93	-113.88
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000516924	0	32	-2.0	-113.11	318.22	5.25	-107.86
COC1=CC([N-]S(=O)(=O)C2=CC=C3OC(C)CC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516926	1	40	-2.0	-118.03	355.60	5.23	-112.80
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=C(C(=O)[O-])C=C1F	REAL300000516927	0	36	-2.0	-111.01	342.98	1.48	-109.53
COC1=CC([N-]S(=O)(=O)C2=CNN=C2C)=C(C(=O)[O-])C=C1F	REAL300000516928	0	32	-2.0	-113.02	299.08	1.68	-111.34
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000516929	1	36	-2.0	-120.89	328.23	3.92	-116.97
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C)=C(C(=O)[O-])C=C1F	REAL300000516930	1	35	-2.0	-118.08	314.18	5.38	-112.70
COC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516931	0	32	-2.0	-124.51	303.53	2.15	-122.36
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C)=C(C(=O)[O-])C=C1F	REAL300000516932	0	32	-2.0	-110.54	298.93	2.25	-108.29
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2F)=C(C(=O)[O-])C=C1F	REAL300000516938	0	35	-2.0	-123.67	325.60	5.37	-118.30
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000516939	1	35	-2.0	-111.66	325.42	5.32	-106.34
COC1=CC([N-]S(=O)(=O)C2=CNC=N2)=C(C(=O)[O-])C=C1F	REAL300000516940	0	29	-2.0	-127.66	280.16	1.99	-125.67
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])O1	REAL300000516941	0	35	-2.0	-112.50	338.28	3.42	-109.08
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C(C(=O)[O-])C=C1F	REAL300000516942	0	37	-2.0	-135.99	338.62	5.26	-130.73
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C(C(=O)[O-])C=C1F	REAL300000516943	0	32	-2.0	-108.66	316.86	4.81	-103.85
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516944	0	34	-3.0	-184.88	336.85	5.07	-179.81
COC1=CC(NS(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516944	1	35	-2.0	-92.83	333.54	4.99	-87.84
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1C	REAL300000516945	1	41	-2.0	-121.67	363.07	5.95	-115.72
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000516946	0	36	-2.0	-119.15	341.34	4.49	-114.66
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000516947	0	34	-2.0	-109.75	329.34	3.84	-105.91
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000516949	1	41	-2.0	-122.86	375.69	6.08	-116.78
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)=C(C(=O)[O-])C=C1F	REAL300000516951	0	44	-2.0	-118.71	377.81	5.23	-113.48
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CS2)=C(C(=O)[O-])C=C1F	REAL300000516952	0	32	-2.0	-117.92	306.92	4.44	-113.48
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1C	REAL300000516953	0	41	-2.0	-117.59	357.24	4.53	-113.06
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1C	REAL300000516954	1	41	-2.0	-113.91	369.54	5.81	-108.10
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000516955	0	37	-2.0	-106.92	342.90	5.81	-101.11
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=C(C(=O)[O-])C=C1F	REAL300000516958	1	40	-2.0	-130.54	358.28	3.07	-127.47
COC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)=C(C(=O)[O-])C=C1F	REAL300000516959	1	36	-2.0	-112.23	334.94	5.79	-106.44
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(NC(C)=O)=C2)=C(C(=O)[O-])C=C1F	REAL300000516960	1	42	-2.0	-139.80	373.31	4.43	-135.37
COC1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2OC)=C(C(=O)[O-])C=C1F	REAL300000516961	0	36	-2.0	-119.91	336.33	5.08	-114.83
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)=C(C(=O)[O-])C=C1F	REAL300000516962	1	36	-2.0	-109.25	334.94	5.79	-103.46
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=C(C(=O)[O-])C=C1F	REAL300000516964	0	33	-2.0	-113.88	324.99	5.07	-108.81
COC1=CC([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516965	1	37	-2.0	-117.00	342.34	2.28	-114.72
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=C(C(=O)[O-])C=C1F	REAL300000516966	0	38	-2.0	-115.88	343.45	3.71	-112.17
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C(C(=O)[O-])C=C1F	REAL300000516967	1	37	-2.0	-120.09	339.68	5.01	-115.08
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=N1	REAL300000516968	0	38	-2.0	-119.43	358.11	3.40	-116.03
COC1=CC([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=C(C(=O)[O-])C=C1F	REAL300000516969	0	38	-2.0	-129.58	342.66	3.05	-126.53
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])=C(C(=O)[O-])C=C1F	REAL300000516970	0	35	-2.0	-120.28	340.51	6.44	-113.84
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000516974	1	32	-2.0	-102.30	317.68	4.81	-97.49
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516975	1	43	-2.0	-115.87	381.14	6.46	-109.41
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=CN1C	REAL300000516977	0	39	-2.0	-121.34	359.90	4.73	-116.61
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000516978	1	47	-2.0	-118.83	389.18	7.42	-111.41
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000516979	0	35	-2.0	-96.62	329.91	5.16	-91.46
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000516979	1	34	-3.0	-177.10	331.68	5.23	-171.87
COC1=CC([N-]S(=O)(=O)C2=CC=C(N(C)C(C)=O)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516980	1	42	-2.0	-127.71	366.33	4.87	-122.84
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000516981	1	38	-2.0	-112.93	345.72	5.97	-106.96
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(C(=O)[O-])C=C1F	REAL300000516982	0	31	-3.0	-180.28	319.41	4.30	-175.98
COC1=CC([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=C(C(=O)[O-])C=C1F	REAL300000516983	0	41	-2.0	-130.14	363.40	5.58	-124.56
COC1=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516984	0	35	-2.0	-91.71	331.93	5.18	-86.53
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000516984	1	34	-3.0	-183.48	333.56	5.24	-178.24
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=CN1	REAL300000516985	0	36	-2.0	-118.15	342.14	2.96	-115.19
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(C(=O)[O-])C=C1F	REAL300000516986	0	34	-3.0	-179.28	332.62	5.26	-174.02
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C)=C(C(=O)[O-])C=C1F	REAL300000516987	1	35	-2.0	-115.09	319.07	5.46	-109.63
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=CC=C1C	REAL300000516988	1	41	-2.0	-115.86	369.56	5.80	-110.06
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=CS1	REAL300000516989	0	35	-2.0	-116.90	346.01	4.32	-112.58
COC1=CC([N-]S(=O)(=O)C2=C(C)N=C(C)S2)=C(C(=O)[O-])C=C1F	REAL300000516990	0	34	-2.0	-115.53	323.92	3.19	-112.34
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=C(C(=O)[O-])C=C1F	REAL300000516991	1	36	-2.0	-122.01	340.94	5.80	-116.21
COC1=CC(NS(=O)(=O)C2=CC=C([O-])C(NC(C)=O)=C2)=C(C(=O)[O-])C=C1F	REAL300000516992	1	40	-2.0	-97.46	357.95	1.50	-95.96
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000516993	1	38	-2.0	-120.15	341.63	6.05	-114.10
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000516994	1	35	-2.0	-115.49	326.51	5.36	-110.13
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000516996	0	38	-2.0	-114.01	356.63	4.09	-109.92
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516997	1	38	-2.0	-113.88	350.09	3.68	-110.20
COC1=CC([N-]S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)=C(C(=O)[O-])C=C1F	REAL300000516998	1	43	-2.0	-118.45	376.12	5.88	-112.57
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)=C(C(=O)[O-])C=C1F	REAL300000516999	0	35	-2.0	-115.11	330.90	5.39	-109.72
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C(C(=O)[O-])C=C1F	REAL300000517000	1	38	-2.0	-128.13	339.74	6.94	-121.19
COC1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C(C(=O)[O-])C=C1F	REAL300000517001	0	34	-2.0	-116.76	330.69	4.11	-112.65
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C(C(=O)[O-])C=C1F	REAL300000517002	0	35	-3.0	-185.12	336.87	2.89	-182.23
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C(C(=O)[O-])C=C1F	REAL300000517002	1	35	-3.0	-167.97	326.76	3.04	-164.93
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C(C(=O)[O-])C=C1F	REAL300000517003	1	42	-2.0	-122.92	354.00	7.25	-115.67
COC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C(C(=O)[O-])C=C1F	REAL300000517004	0	38	-2.0	-94.51	347.69	5.90	-88.61
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C(C(=O)[O-])C=C1F	REAL300000517004	1	37	-3.0	-179.77	349.33	5.97	-173.80
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])O1	REAL300000517005	0	38	-2.0	-112.79	360.14	4.34	-108.45
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000517006	0	34	-2.0	-106.73	333.32	5.36	-101.37
COC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)=C(C(=O)[O-])C=C1F	REAL300000517007	0	35	-2.0	-128.43	341.42	5.32	-123.11
COC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=C(F)C(OC)=C2)SC=C1	REAL300000517009	0	33	-2.0	-124.04	320.86	2.89	-121.15
COC1=CC([N-]S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)=C(C(=O)[O-])C=C1F	REAL300000517010	0	38	-2.0	-121.05	355.44	5.73	-115.32
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C(C(=O)[O-])C=C1F	REAL300000517011	0	35	-2.0	-122.20	328.46	5.01	-117.19
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)=C(C(=O)[O-])C=C1F	REAL300000517012	0	40	-2.0	-138.27	360.20	5.85	-132.42
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(OC)=C(F)C=C1C(=O)[O-]	REAL300000517013	0	34	-2.0	-123.40	331.98	3.37	-120.03
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=C(C(=O)[O-])C=C1F	REAL300000517015	0	32	-2.0	-107.96	313.67	3.56	-104.40
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=C(C(=O)[O-])C=C1F	REAL300000517016	0	32	-2.0	-121.26	318.87	3.45	-117.81
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517017	0	40	-2.0	-122.26	357.72	3.23	-119.03
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C(C(=O)[O-])C=C1F	REAL300000517018	0	33	-2.0	-124.70	314.53	3.35	-121.35
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=C(C(=O)[O-])C=C1F	REAL300000517019	0	33	-2.0	-107.99	320.91	2.45	-105.54
COC1=CC([N-]S(=O)(=O)C2=CN=C(C)S2)=C(C(=O)[O-])C=C1F	REAL300000517020	0	31	-2.0	-114.30	307.22	2.43	-111.87
COC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C(C(=O)[O-])C=C1F	REAL300000517021	0	38	-2.0	-112.03	334.24	5.77	-106.26
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C(C(=O)[O-])C=C1F	REAL300000517021	1	37	-3.0	-195.07	337.19	5.81	-189.26
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C(C(=O)[O-])C=C1F	REAL300000517023	0	38	-2.0	-95.77	338.84	5.85	-89.92
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C(C(=O)[O-])C=C1F	REAL300000517023	1	37	-3.0	-177.76	342.57	5.96	-171.80
COC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)=C(C(=O)[O-])C=C1F	REAL300000517024	0	33	-2.0	-114.32	327.98	5.31	-109.01
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)=C(C(=O)[O-])C=C1F	REAL300000517025	0	35	-2.0	-117.51	330.88	5.39	-112.12
COC1=CC(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000517026	0	41	-2.0	-112.21	357.47	6.13	-106.08
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000517026	1	40	-3.0	-198.44	360.62	6.27	-192.17
COC1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C(C(=O)[O-])C=C1F	REAL300000517027	0	35	-2.0	-115.83	344.01	6.12	-109.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1CC	REAL300000517028	1	44	-2.0	-121.34	375.73	7.20	-114.14
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000517030	0	31	-2.0	-114.94	317.65	4.07	-110.87
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=C(C(=O)[O-])C=C1F	REAL300000517031	0	38	-2.0	-126.16	344.13	5.01	-121.15
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=N1	REAL300000517032	0	37	-2.0	-109.38	349.47	3.47	-105.91
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000517033	0	31	-2.0	-105.93	324.11	3.81	-102.12
COC1=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C(C(=O)[O-])C=C1F	REAL300000517034	0	41	-2.0	-117.04	357.89	6.49	-110.55
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C(C(=O)[O-])C=C1F	REAL300000517034	1	40	-3.0	-200.06	360.68	6.59	-193.47
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517035	1	40	-2.0	-129.03	361.83	5.90	-123.13
COCCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=N1	REAL300000517036	0	39	-2.0	-113.35	358.49	2.24	-111.11
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300000517037	0	37	-2.0	-125.23	349.05	5.48	-119.75
CCC1=CC=C(S(=O)(=O)NC2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000517038	0	41	-2.0	-97.28	359.67	6.31	-90.97
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000517038	1	40	-3.0	-196.87	361.52	6.38	-190.49
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517039	0	43	-2.0	-116.88	375.85	3.15	-113.73
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)=C(C(=O)[O-])C=C1F	REAL300000517041	0	36	-2.0	-127.98	335.92	5.44	-122.54
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=C(C(=O)[O-])C=C1F	REAL300000517042	0	41	-2.0	-118.94	371.68	6.26	-112.68
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517043	0	38	-2.0	-128.87	346.22	5.38	-123.49
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517044	0	40	-2.0	-113.83	356.72	2.37	-111.46
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=C(C(=O)[O-])C=C1F	REAL300000517045	0	35	-2.0	-125.22	324.50	5.34	-119.88
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=N1	REAL300000517046	0	38	-2.0	-111.61	347.78	2.26	-109.35
COC1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C(C(=O)[O-])C=C1F	REAL300000517047	0	39	-2.0	-133.44	344.64	4.64	-128.80
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000517048	1	39	-2.0	-117.97	353.80	4.36	-113.61
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517049	0	37	-2.0	-117.88	338.01	1.61	-116.27
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000517050	0	35	-2.0	-120.34	330.55	5.77	-114.57
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000517052	0	35	-2.0	-115.24	321.64	4.20	-111.04
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=C(C(=O)[O-])C=C1F	REAL300000517053	0	38	-2.0	-124.72	344.95	2.29	-122.43
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=C(C(=O)[O-])C=C1F	REAL300000517054	1	40	-2.0	-118.85	352.39	5.26	-113.59
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=C(F)C=C1C(=O)[O-]	REAL300000517055	1	39	-2.0	-117.92	345.34	4.68	-113.24
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)C=C2)=C(C(=O)[O-])C=C1F	REAL300000517056	1	42	-2.0	-116.94	367.98	5.48	-111.46
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)O2)=C(C(=O)[O-])C=C1F	REAL300000517057	0	32	-2.0	-118.30	303.29	3.43	-114.87
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)S2)=C(C(=O)[O-])C=C1F	REAL300000517058	0	35	-2.0	-119.20	330.91	4.98	-114.22
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C(C(=O)[O-])C=C1F	REAL300000517059	1	35	-2.0	-115.53	324.74	3.29	-112.24
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=C(C(=O)[O-])C=C1F	REAL300000517060	0	40	-2.0	-135.98	352.32	6.38	-129.60
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C(C(=O)[O-])C=C1F	REAL300000517061	0	38	-2.0	-122.86	347.95	6.64	-116.22
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517062	0	34	-2.0	-103.85	331.43	5.31	-98.54
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C(C(=O)[O-])C=C1F	REAL300000517063	0	32	-2.0	-109.00	321.83	5.21	-103.79
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C(C)O1	REAL300000517064	0	38	-2.0	-110.30	356.57	4.18	-106.12
COC1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C(C(=O)[O-])C=C1F	REAL300000517065	0	31	-2.0	-109.06	310.46	3.31	-105.75
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])N=C1C	REAL300000517066	0	38	-2.0	-128.66	344.34	4.41	-124.25
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000517067	0	35	-2.0	-119.52	333.23	5.86	-113.66
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000517068	0	38	-3.0	-193.34	355.15	5.39	-187.95
CCN1C=C(S(=O)(=O)NC2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000517068	1	39	-2.0	-109.58	355.06	5.39	-104.19
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517069	0	35	-2.0	-116.67	338.62	3.37	-113.30
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(OC)=C(F)C=C1C(=O)[O-]	REAL300000517070	0	44	-2.0	-118.82	378.22	5.20	-113.62
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)=C(C(=O)[O-])C=C1F	REAL300000517071	1	40	-2.0	-114.72	358.38	6.56	-108.16
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000517072	0	32	-2.0	-122.56	314.74	5.41	-117.15
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000517073	0	34	-2.0	-117.80	328.59	3.94	-113.86
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2OC)=C(C(=O)[O-])C=C1F	REAL300000517074	0	37	-2.0	-115.86	347.73	4.81	-111.05
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])S1	REAL300000517075	0	34	-2.0	-114.01	328.75	3.21	-110.80
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(OC)=C(F)C=C3C(=O)[O-])C=C12	REAL300000517076	0	39	-2.0	-107.67	359.97	2.35	-105.32
COC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)S2)=C(C(=O)[O-])C=C1F	REAL300000517077	0	34	-2.0	-112.18	336.82	4.96	-107.22
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(OC)=C2)=C(C(=O)[O-])C=C1F	REAL300000517079	0	35	-2.0	-107.73	339.54	2.59	-105.14
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517080	0	34	-2.0	-106.92	333.40	3.86	-103.06
COC1=CC([N-]S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)=C(C(=O)[O-])C=C1F	REAL300000517081	0	47	-2.0	-117.82	397.95	6.11	-111.71
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2C)=C(C(=O)[O-])C=C1F	REAL300000517082	1	39	-2.0	-114.86	348.78	4.74	-110.12
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000517083	0	33	-2.0	-109.87	332.57	5.57	-104.30
COC1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C(C(=O)[O-])C=C1F	REAL300000517084	0	35	-2.0	-128.56	326.62	4.94	-123.62
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517085	0	37	-2.0	-114.47	348.71	3.48	-110.99
COC1=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C(C(=O)[O-])C=C1F	REAL300000517086	0	29	-2.0	-112.40	303.07	3.35	-109.05
COC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)=C(C(=O)[O-])C=C1F	REAL300000517087	1	40	-2.0	-113.32	358.39	6.56	-106.76
COC1=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C(C(=O)[O-])C=C1F	REAL300000517088	0	32	-2.0	-114.53	319.76	5.02	-109.51
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)=C(C(=O)[O-])C=C1F	REAL300000517092	0	32	-2.0	-111.31	327.68	4.85	-106.46
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517093	1	35	-2.0	-124.41	332.86	5.55	-118.86
COC1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517094	0	35	-2.0	-114.20	336.62	3.50	-110.70
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2SC)=C(C(=O)[O-])C=C1F	REAL300000517095	0	36	-2.0	-124.28	334.77	5.68	-118.60
COC1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=CC=C1F	REAL300000517096	1	36	-2.0	-110.73	334.48	4.00	-106.73
COC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C(C(=O)[O-])C=C1F	REAL300000517097	0	31	-2.0	-125.01	311.38	5.03	-119.98
COC1=CC([N-]S(=O)(=O)C2=CC=CO2)=C(C(=O)[O-])C=C1F	REAL300000517098	0	29	-2.0	-116.98	281.37	2.62	-114.36
COC1=CC([N-]S(=O)(=O)C2=CN=NN2C)=C(C(=O)[O-])C=C1F	REAL300000517099	0	31	-2.0	-105.04	292.11	1.09	-103.95
COC1=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=C(C(=O)[O-])C=C1F	REAL300000517100	0	37	-2.0	-113.21	343.04	3.76	-109.45
COC1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000517101	0	31	-2.0	-107.81	319.86	4.39	-103.42
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000517103	1	40	-2.0	-118.75	365.91	2.84	-115.91
COC1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C(C(=O)[O-])C=C1F	REAL300000517104	0	36	-2.0	-123.48	326.82	4.07	-119.41
COC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000517105	0	33	-2.0	-112.23	332.61	5.57	-106.66
COC1=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517106	0	35	-2.0	-113.69	342.64	3.67	-110.02
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=C(F)C=C1C(=O)[O-]	REAL300000517107	1	38	-2.0	-113.18	324.44	6.16	-107.02
COC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C(C(=O)[O-])C=C1F	REAL300000517109	0	36	-2.0	-133.45	337.08	4.70	-128.75
COC1=CC([N-]S(=O)(=O)C2=C(C)N(CC3CC3)N=C2C)=C(C(=O)[O-])C=C1F	REAL300000517110	0	45	-2.0	-117.89	388.90	6.08	-111.81
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)=C(C(=O)[O-])C=C1F	REAL300000517111	0	40	-2.0	-136.33	356.58	5.79	-130.54
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C(C(=O)[O-])C=C1F	REAL300000517113	0	33	-2.0	-125.77	323.46	2.93	-122.84
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517114	0	35	-2.0	-115.13	323.33	2.09	-113.04
COC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2C)OCO3)=C(C(=O)[O-])C=C1F	REAL300000517116	1	38	-2.0	-113.97	340.18	4.06	-109.91
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)=C(C(=O)[O-])C=C1F	REAL300000517118	1	42	-2.0	-118.77	369.70	4.47	-114.30
COC1=CC([N-]S(=O)(=O)C2=CN=C(NC(C)=O)S2)=C(C(=O)[O-])C=C1F	REAL300000517120	0	35	-2.0	-121.94	343.64	2.11	-119.83
COC1=CC([N-]S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)=C(C(=O)[O-])C=C1F	REAL300000517120	1	34	-3.0	-187.85	340.35	0.98	-186.87
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=C(C(=O)[O-])C=C1F	REAL300000517121	1	36	-2.0	-123.08	323.29	5.93	-117.15
COC1=CC([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=C(C(=O)[O-])C=C1F	REAL300000517122	1	36	-2.0	-121.42	340.91	5.80	-115.62
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000517123	0	32	-2.0	-111.52	328.55	5.69	-105.83
COC1=CC([N-]S(=O)(=O)C2=C(C)ON=C2N)=C(C(=O)[O-])C=C1F	REAL300000517125	0	33	-2.0	-108.73	306.22	1.99	-106.74
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=C(F)C(OC)=C1	REAL300000517126	0	36	-2.0	-120.36	343.68	4.93	-115.43
COC1=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517127	0	33	-2.0	-112.67	326.19	3.40	-109.27
COC1=CC([N-]S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)=C(C(=O)[O-])C=C1F	REAL300000517129	1	43	-2.0	-117.20	379.94	5.40	-111.80
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517130	1	39	-2.0	-119.34	343.70	4.69	-114.65
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=C(C(=O)[O-])C=C1F	REAL300000517132	0	30	-2.0	-107.78	311.21	4.17	-103.61
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517133	0	34	-2.0	-115.77	315.28	3.45	-112.32
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C(C(=O)[O-])C=C1F	REAL300000517134	0	37	-2.0	-119.54	339.88	4.99	-114.55
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000517135	1	36	-2.0	-110.03	338.68	5.52	-104.51
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517136	0	31	-2.0	-103.29	316.43	3.30	-99.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C(F)=C1	REAL300000517138	0	36	-2.0	-121.20	333.72	3.99	-117.21
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C(C(=O)[O-])C=C1F	REAL300000517140	1	35	-2.0	-116.51	330.89	5.49	-111.02
COC1=CC([N-]S(=O)(=O)C2=C(C)C=NN2C)=C(C(=O)[O-])C=C1F	REAL300000517142	0	35	-2.0	-111.68	315.55	3.08	-108.60
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=C(C(=O)[O-])C=C1F	REAL300000517144	0	30	-2.0	-109.20	302.60	3.16	-106.04
COC1=CC([N-]S(=O)(=O)C2=CSC=C2)=C(C(=O)[O-])C=C1F	REAL300000517145	0	29	-2.0	-114.43	289.80	3.52	-110.91
COC1=CC([N-]S(=O)(=O)C2=COC=C2)=C(C(=O)[O-])C=C1F	REAL300000517146	0	29	-2.0	-114.76	281.22	2.51	-112.25
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517147	0	43	-2.0	-128.20	382.07	4.14	-124.06
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000517148	0	38	-2.0	-96.64	341.36	5.65	-90.99
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000517148	1	37	-3.0	-178.83	343.16	5.72	-173.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=N1	REAL300000517149	0	35	-2.0	-111.40	325.91	1.32	-110.08
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C(C(=O)[O-])C=C1F	REAL300000517150	0	32	-2.0	-117.46	320.92	5.21	-112.25
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(OC)=C(F)C=C1C(=O)[O-]	REAL300000517152	0	43	-2.0	-113.84	377.32	5.76	-108.08
COC1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C32)=C(C(=O)[O-])C=C1F	REAL300000517153	0	35	-2.0	-120.98	335.24	5.98	-115.00
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=C(C(=O)[O-])C=C1F	REAL300000517154	0	43	-2.0	-132.41	376.41	5.84	-126.57
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C(C(=O)[O-])C=C1F	REAL300000517155	0	35	-2.0	-122.87	325.30	3.26	-119.61
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517156	1	39	-2.0	-121.32	350.09	4.85	-116.47
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C(C(=O)[O-])C=C1F	REAL300000517157	0	32	-2.0	-118.64	321.06	5.48	-113.16
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(OC)=C(F)C=C1C(=O)[O-]	REAL300000517158	1	38	-2.0	-144.56	343.14	2.22	-142.34
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)=C(C(=O)[O-])C=C1F	REAL300000517159	1	41	-2.0	-122.59	365.99	7.56	-115.03
COC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C(C(=O)[O-])C=C1F	REAL300000517160	0	29	-2.0	-114.08	306.67	4.08	-110.00
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CS2)=C(C(=O)[O-])C=C1F	REAL300000517161	0	32	-2.0	-116.81	312.26	4.29	-112.52
COC1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000517162	0	29	-2.0	-113.51	296.97	1.42	-112.09
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C(C(=O)[O-])C=C1F	REAL300000517163	0	31	-2.0	-113.58	305.59	2.72	-110.86
COC1=CC([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=C(C(=O)[O-])C=C1F	REAL300000517164	0	41	-2.0	-113.29	363.16	3.67	-109.62
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517165	0	41	-2.0	-112.56	367.87	3.18	-109.38
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C(C(=O)[O-])C=C1F	REAL300000517166	1	40	-2.0	-116.86	359.23	5.60	-111.26
COC1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C(C(=O)[O-])C=C1F	REAL300000517167	0	35	-2.0	-115.60	334.87	5.09	-110.51
COC1=CC([N-]S(=O)(=O)C2=CC(C)=NS2)=C(C(=O)[O-])C=C1F	REAL300000517168	0	31	-2.0	-110.50	307.18	2.92	-107.58
COC1=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=C(C(=O)[O-])C=C1F	REAL300000517170	1	36	-2.0	-145.77	329.84	1.90	-143.87
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C(C(=O)[O-])C=C1F	REAL300000517171	1	39	-2.0	-118.95	347.91	6.73	-112.22
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C(C(=O)[O-])C=C1F	REAL300000517172	0	29	-2.0	-115.71	296.97	3.66	-112.05
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=C(C(=O)[O-])C=C1F	REAL300000517173	0	35	-2.0	-118.34	337.33	3.48	-114.86
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C(C(=O)[O-])C=C1F	REAL300000517174	1	41	-2.0	-117.87	363.53	6.22	-111.65
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517175	1	33	-2.0	-106.68	325.40	5.05	-101.63
COC1=CC([N-]S(=O)(=O)CC(OC)C2=CC=CC=C2)=C(C(=O)[O-])C=C1F	REAL300000517176	1	42	-2.0	-117.69	373.45	5.70	-111.99
COC1=CC([N-]S(=O)(=O)N=S(C)(C)=O)=C(C(=O)[O-])C=C1F	REAL300000517178	1	32	-2.0	-143.12	304.04	0.55	-142.57
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C(C(=O)[O-])C=C1F	REAL300000517179	0	32	-2.0	-108.65	331.27	4.82	-103.83
COC1=CC([N-]S(=O)(=O)C2=NC=CN2)=C(C(=O)[O-])C=C1F	REAL300000517180	0	29	-2.0	-118.86	280.31	1.20	-117.66
COC1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C(C(=O)[O-])C=C1F	REAL300000517181	0	37	-2.0	-123.07	335.68	1.52	-121.55
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)S2)=C(C(=O)[O-])C=C1F	REAL300000517182	0	35	-2.0	-119.41	328.80	5.24	-114.17
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=CN=C1C	REAL300000517183	0	40	-2.0	-110.37	364.97	3.97	-106.40
COC1=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000517184	0	33	-2.0	-106.44	322.08	3.47	-102.97
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)=C(C(=O)[O-])C=C1F	REAL300000517185	0	34	-2.0	-108.54	326.24	4.01	-104.53
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517186	1	41	-2.0	-123.77	375.69	6.06	-117.71
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517190	0	35	-2.0	-114.29	319.36	2.84	-111.45
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000517191	1	36	-2.0	-119.33	329.84	5.72	-113.61
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C)=C(C(=O)[O-])C=C1F	REAL300000517192	0	35	-2.0	-116.42	322.07	2.99	-113.43
COC1=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=C(C(=O)[O-])C=C1F	REAL300000517193	0	32	-2.0	-107.53	314.57	3.22	-104.31
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=C(C(=O)[O-])C=C1F	REAL300000517195	1	37	-2.0	-115.29	345.12	1.81	-113.48
COC1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C(C(=O)[O-])C=C1F	REAL300000517197	0	32	-2.0	-114.78	314.34	2.16	-112.62
COC1=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C(C(=O)[O-])C=C1F	REAL300000517198	0	38	-2.0	-114.45	344.99	4.54	-109.91
COC1=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C(C(=O)[O-])C=C1F	REAL300000517200	1	39	-2.0	-124.09	354.69	4.36	-119.73
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(OC)=C2)=C(C(=O)[O-])C=C1F	REAL300000517201	1	36	-2.0	-111.78	344.23	4.49	-107.29
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)=C(C(=O)[O-])C=C1F	REAL300000517202	0	36	-2.0	-125.92	350.27	1.26	-124.66
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(C(=O)[O-])C=C1F	REAL300000517203	0	34	-3.0	-204.34	330.79	5.21	-199.13
COC1=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C(C(=O)[O-])C=C1F	REAL300000517204	0	29	-2.0	-124.07	299.15	2.57	-121.50
COC1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C(C(=O)[O-])C=C1F	REAL300000517205	0	34	-2.0	-129.86	329.89	4.03	-125.83
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C(C(=O)[O-])C=C1F	REAL300000517206	1	37	-2.0	-122.12	334.50	4.46	-117.66
COC1=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C(C(=O)[O-])C=C1F	REAL300000517208	0	38	-2.0	-129.00	349.20	6.93	-122.07
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000517209	0	35	-2.0	-119.31	325.81	6.13	-113.18
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C(C(=O)[O-])C=C1F	REAL300000517210	0	37	-2.0	-129.62	335.00	4.43	-125.19
COC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)=C(C(=O)[O-])C=C1F	REAL300000517216	0	35	-2.0	-125.38	328.60	5.58	-119.80
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000517217	0	31	-2.0	-109.66	323.73	3.81	-105.85
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=C(C(=O)[O-])C=C1F	REAL300000517218	1	37	-2.0	-117.52	342.54	3.07	-114.45
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=C(F)C(OC)=C1	REAL300000517220	0	36	-2.0	-120.37	333.35	4.47	-115.90
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300000517221	1	40	-2.0	-116.38	361.30	6.46	-109.92
COC1=CC([N-]S(=O)(=O)C2=CN=C(OC)C(Cl)=C2)=C(C(=O)[O-])C=C1F	REAL300000517223	0	35	-2.0	-108.22	341.95	1.85	-106.37
COC1=CC([N-]S(=O)(=O)C2=CON=C2C)=C(C(=O)[O-])C=C1F	REAL300000517224	0	31	-2.0	-108.47	297.45	2.51	-105.96
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000517225	1	35	-2.0	-112.82	334.17	5.72	-107.10
COC1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C(C(=O)[O-])C=C1F	REAL300000517226	1	38	-2.0	-127.95	346.78	5.61	-122.34
COC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000517227	0	34	-2.0	-125.40	333.27	5.81	-119.59
COC1=CC([N-]S(=O)(=O)N=S(C)(=O)N(C)C)=C(C(=O)[O-])C=C1F	REAL300000517228	1	37	-2.0	-134.84	340.34	0.57	-134.27
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C(C(=O)[O-])C=C1F	REAL300000517229	1	35	-2.0	-111.85	340.69	2.81	-109.04
COC1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C(C(=O)[O-])C=C1F	REAL300000517230	0	31	-2.0	-121.88	299.20	2.79	-119.09
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517233	0	31	-2.0	-107.40	300.09	2.79	-104.61
COC1=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=C(C(=O)[O-])C=C1F	REAL300000517235	0	30	-2.0	-121.25	309.08	4.03	-117.22
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517238	1	32	-2.0	-108.60	321.29	5.20	-103.40
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C(C(=O)[O-])C=C1F	REAL300000517239	0	41	-2.0	-128.32	360.38	4.96	-123.36
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C(C(=O)[O-])C=C1F	REAL300000517240	0	40	-2.0	-128.49	350.89	5.84	-122.65
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)=C(C(=O)[O-])C=C1F	REAL300000517246	1	39	-2.0	-129.34	354.61	2.06	-127.28
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)=C(C(=O)[O-])C=C1F	REAL300000517247	1	35	-2.0	-122.75	327.10	1.32	-121.43
COC1=CC([N-]S(=O)(=O)CC2(OC(C)C)CCOC2)=C(C(=O)[O-])C=C1F	REAL300000517248	1	46	-2.0	-116.68	374.97	3.52	-113.16
COC1=CC([N-]S(=O)(=O)C2=CN=C(C)N2C)=C(C(=O)[O-])C=C1F	REAL300000517250	0	35	-2.0	-116.32	318.06	3.59	-112.73
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517251	1	45	-2.0	-121.98	388.77	6.28	-115.70
CCC1=NC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=CN1CC1CC1	REAL300000517254	0	45	-2.0	-133.08	397.61	6.57	-126.51
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])O1	REAL300000517255	0	38	-2.0	-113.68	356.18	4.00	-109.68
COC1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C(C(=O)[O-])C=C1F	REAL300000517256	0	35	-2.0	-115.48	338.44	4.11	-111.37
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)=C(C(=O)[O-])C=C1F	REAL300000517257	1	40	-2.0	-115.40	362.36	6.96	-108.44
COC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=C(C(=O)[O-])C=C1F	REAL300000517258	0	35	-2.0	-104.48	339.29	3.30	-101.18
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C(C(=O)[O-])C=C1F	REAL300000517259	0	31	-2.0	-114.50	316.04	3.21	-111.29
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)=C(C(=O)[O-])C=C1F	REAL300000517261	0	35	-2.0	-122.63	330.82	5.39	-117.24
COC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C(C(=O)[O-])C=C1F	REAL300000517263	0	34	-2.0	-130.02	327.05	3.51	-126.51
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C(C)=N1	REAL300000517264	0	44	-2.0	-116.08	386.65	5.39	-110.69
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(C(=O)[O-])C=C1F	REAL300000517265	0	33	-3.0	-184.62	324.14	3.25	-181.37
COC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)=C(C(=O)[O-])C=C1F	REAL300000517266	0	36	-2.0	-113.31	327.57	4.59	-108.72
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517267	1	44	-2.0	-115.94	376.91	6.88	-109.06
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=C(C(=O)[O-])C=C1F	REAL300000517268	0	33	-2.0	-107.82	325.90	5.09	-102.73
COC1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517269	0	35	-2.0	-111.85	331.84	3.24	-108.61
COC1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C(C(=O)[O-])C=C1F	REAL300000517270	0	34	-2.0	-117.41	321.96	3.66	-113.75
COC1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C(C(=O)[O-])C=C1F	REAL300000517270	1	34	-2.0	-129.89	321.86	3.80	-126.09
COC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C32)=C(C(=O)[O-])C=C1F	REAL300000517271	0	36	-2.0	-127.42	332.43	4.57	-122.85
COC1=CC([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=C(C(=O)[O-])C=C1F	REAL300000517272	0	42	-2.0	-116.60	359.69	4.73	-111.87
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=C(C(=O)[O-])C=C1F	REAL300000517273	0	44	-2.0	-114.28	364.06	5.16	-109.12
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517275	0	42	-2.0	-116.87	366.09	4.96	-111.91
COC1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)=C(C(=O)[O-])C=C1F	REAL300000517276	0	35	-2.0	-109.24	332.98	3.52	-105.72
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C(C(=O)[O-])C=C1F	REAL300000517278	0	33	-2.0	-111.83	314.88	2.38	-109.45
COC1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C(C(=O)[O-])C=C1F	REAL300000517278	1	33	-2.0	-99.42	304.49	2.54	-96.88
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000517279	1	42	-2.0	-118.10	375.94	7.41	-110.69
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(OC)=C(F)C=C1C(=O)[O-]	REAL300000517280	0	38	-2.0	-113.65	337.85	3.68	-109.97
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517281	0	37	-2.0	-117.30	345.99	5.19	-112.11
COC1=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517282	0	32	-2.0	-110.38	303.89	1.99	-108.39
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2C#N)=C(C(=O)[O-])C=C1F	REAL300000517283	0	36	-2.0	-125.41	338.18	5.58	-119.83
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)=C(C(=O)[O-])C=C1F	REAL300000517284	0	36	-2.0	-124.17	330.43	5.85	-118.32
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517285	1	35	-2.0	-113.20	337.90	5.58	-107.62
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=C(C(=O)[O-])C=C1F	REAL300000517287	1	39	-2.0	-121.35	362.43	6.58	-114.77
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)=C(C(=O)[O-])C=C1F	REAL300000517288	1	38	-2.0	-112.26	345.56	6.80	-105.46
COC1=NSC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517289	0	32	-2.0	-107.66	317.98	0.42	-107.24
COC1=CC([N-]S(=O)(=O)C2=CC=NS2)=C(C(=O)[O-])C=C1F	REAL300000517291	0	28	-2.0	-110.02	285.43	2.32	-107.70
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C(C(=O)[O-])C=C1F	REAL300000517294	0	38	-3.0	-183.24	355.35	4.97	-178.27
COC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C(C(=O)[O-])C=C1F	REAL300000517294	1	39	-2.0	-97.81	355.27	4.94	-92.87
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)=C(C(=O)[O-])C=C1F	REAL300000517295	0	36	-2.0	-113.64	338.19	0.22	-113.42
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC)=C(F)C=C1C(=O)[O-]	REAL300000517296	1	41	-2.0	-112.97	345.94	6.93	-106.04
COC1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C(C(=O)[O-])C=C1F	REAL300000517297	0	32	-2.0	-121.63	312.99	4.72	-116.91
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000517299	0	31	-3.0	-176.53	327.25	4.16	-172.37
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C(C(=O)[O-])C=C1F	REAL300000517300	0	37	-2.0	-128.96	334.93	5.12	-123.84
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517301	0	39	-2.0	-119.59	360.15	4.81	-114.78
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C(C(=O)[O-])C=C1F	REAL300000517302	0	33	-2.0	-121.39	324.50	5.03	-116.36
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=N2)=C(C(=O)[O-])C=C1F	REAL300000517303	0	31	-2.0	-125.83	297.64	0.94	-124.89
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517304	0	39	-2.0	-116.52	348.59	4.29	-112.23
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C(C(=O)[O-])C=C1F	REAL300000517305	0	39	-2.0	-114.19	343.92	4.61	-109.58
COC1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C(C(=O)[O-])C=C1F	REAL300000517306	0	42	-2.0	-114.57	368.10	5.22	-109.35
COC1=CC([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=C(C(=O)[O-])C=C1F	REAL300000517307	0	43	-2.0	-123.62	373.74	2.61	-121.01
COC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=C(C(=O)[O-])C=C1F	REAL300000517308	1	38	-2.0	-114.33	349.42	1.84	-112.49
COC1=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=C(C(=O)[O-])C=C1F	REAL300000517309	0	29	-2.0	-115.61	299.36	3.34	-112.27
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(OC)C(F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517310	1	36	-2.0	-107.85	344.56	4.17	-103.68
COC1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C(C(=O)[O-])C=C1F	REAL300000517311	0	39	-2.0	-121.75	343.07	4.64	-117.11
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1F	REAL300000517312	0	36	-2.0	-115.05	339.93	4.07	-110.98
COC1=CC([N-]S(=O)(=O)C2=C(C)SC=C2C)=C(C(=O)[O-])C=C1F	REAL300000517313	0	35	-2.0	-115.21	323.42	5.30	-109.91
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=C(C(=O)[O-])C=C1F	REAL300000517314	0	40	-2.0	-130.71	355.94	5.21	-125.50
COC1=CC([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=C(C(=O)[O-])C=C1F	REAL300000517315	0	40	-2.0	-115.80	367.36	4.28	-111.52
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=C(C(=O)[O-])C=C1F	REAL300000517316	1	40	-2.0	-119.15	366.96	6.83	-112.32
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC(F)=C2OC)=C(C(=O)[O-])C=C1F	REAL300000517317	0	36	-2.0	-122.09	335.16	5.28	-116.81
COC1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000517318	0	29	-2.0	-114.88	304.11	4.06	-110.82
COC1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517319	0	34	-2.0	-107.92	332.59	3.77	-104.15
COC1=CC([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)=C(C(=O)[O-])C=C1F	REAL300000517320	0	37	-2.0	-133.59	339.37	4.22	-129.37
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(OC)=C(F)C=C1C(=O)[O-]	REAL300000517321	0	34	-2.0	-105.86	313.97	1.96	-103.90
COC1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C(C(=O)[O-])C=C1F	REAL300000517323	1	33	-2.0	-106.66	313.57	3.40	-103.26
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C(C(=O)[O-])C=C1F	REAL300000517324	0	35	-2.0	-121.41	337.53	6.06	-115.35
COC1=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C(C(=O)[O-])C=C1F	REAL300000517325	0	35	-2.0	-132.42	343.60	4.33	-128.09
COC1=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=C(C(=O)[O-])C=C1F	REAL300000517326	0	39	-2.0	-112.91	350.63	4.33	-108.58
COC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)=C(C(=O)[O-])C=C1F	REAL300000517327	1	41	-2.0	-116.17	354.59	7.00	-109.17
COC1=CC([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)=C(C(=O)[O-])C=C1F	REAL300000517328	0	40	-2.0	-118.86	350.57	4.37	-114.49
COC1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C32)=C(C(=O)[O-])C=C1F	REAL300000517329	0	35	-2.0	-121.91	328.46	4.92	-116.99
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)=C(C(=O)[O-])C=C1F	REAL300000517330	0	45	-2.0	-121.81	387.45	5.53	-116.28
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=C(C(=O)[O-])C=C1F	REAL300000517331	0	39	-2.0	-118.92	353.97	4.55	-114.37
COC1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C(C(=O)[O-])C=C1F	REAL300000517332	1	36	-2.0	-117.98	337.94	4.21	-113.77
COC1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C(C(=O)[O-])C=C1F	REAL300000517333	0	35	-2.0	-126.64	328.12	3.83	-122.81
COC1=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=C(C(=O)[O-])C=C1F	REAL300000517334	0	37	-2.0	-138.17	343.23	3.02	-135.15
COC1=CC([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=C(C(=O)[O-])C=C1F	REAL300000517335	0	39	-2.0	-118.96	339.36	6.58	-112.38
COC1=CC([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000517336	1	36	-2.0	-117.98	326.70	2.33	-115.65
COC1=NSC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=C(F)C(OC)=C1	REAL300000517337	0	32	-2.0	-115.71	315.99	0.49	-115.22
COC1=CC([N-]S(=O)(=O)C2=C(C)NC=N2)=C(C(=O)[O-])C=C1F	REAL300000517338	0	32	-2.0	-129.48	297.62	2.70	-126.78
COC1=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C(C(=O)[O-])C=C1F	REAL300000517340	0	35	-2.0	-116.07	332.41	5.01	-111.06
COC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=C(C(=O)[O-])C=C1F	REAL300000517341	0	42	-2.0	-120.63	370.20	5.03	-115.60
COC1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C(C(=O)[O-])C=C1F	REAL300000517342	0	29	-2.0	-114.20	304.53	4.16	-110.04
COC1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517343	0	42	-2.0	-117.31	372.66	5.27	-112.04
COC1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C(C(=O)[O-])C=C1F	REAL300000517344	0	36	-2.0	-122.34	336.83	5.75	-116.59
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517345	1	41	-2.0	-120.38	363.13	6.83	-113.55
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517346	0	38	-2.0	-110.28	355.01	2.96	-107.32
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=C(C(=O)[O-])C=C1F	REAL300000517347	0	33	-2.0	-119.51	323.19	4.98	-114.53
COC1=CC([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=C(C(=O)[O-])C=C1F	REAL300000517348	0	39	-2.0	-117.31	344.38	4.15	-113.16
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C)=C(C(=O)[O-])C=C1F	REAL300000517350	1	38	-2.0	-118.95	328.82	6.29	-112.66
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=C(C(=O)[O-])C=C1F	REAL300000517351	0	41	-2.0	-110.86	345.73	4.53	-106.33
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517352	0	41	-2.0	-116.98	363.18	4.34	-112.64
COC1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C(C(=O)[O-])C=C1F	REAL300000517353	0	39	-2.0	-117.14	347.27	3.71	-113.43
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517354	0	43	-2.0	-116.35	372.95	5.43	-110.92
COC1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C(C(=O)[O-])C=C1F	REAL300000517355	1	35	-2.0	-117.26	326.69	5.44	-111.82
COC1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C(C(=O)[O-])C=C1F	REAL300000517356	0	32	-2.0	-115.56	320.23	5.01	-110.55
COC1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517357	0	32	-2.0	-108.85	330.43	4.73	-104.12
COC1=CC([N-]S(=O)(=O)C2=CC(C)=NN2C)=C(C(=O)[O-])C=C1F	REAL300000517358	0	35	-2.0	-111.54	319.85	2.90	-108.64
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C)=C(C(=O)[O-])C=C1F	REAL300000517360	1	38	-2.0	-119.19	331.18	5.93	-113.26
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C(C(=O)[O-])C=C1F	REAL300000517361	0	35	-2.0	-117.14	326.48	5.64	-111.50
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517362	1	43	-2.0	-128.39	383.32	6.66	-121.73
COC1=CC([N-]S(=O)(=O)C2=CC=C(COC(C)=O)C=C2)=C(C(=O)[O-])C=C1F	REAL300000517364	1	41	-2.0	-118.83	377.11	6.28	-112.55
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=C(C(=O)[O-])C=C1F	REAL300000517365	0	33	-2.0	-117.02	331.28	5.47	-111.55
COC1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C(C(=O)[O-])C=C1F	REAL300000517366	0	32	-2.0	-116.60	318.28	4.83	-111.77
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C(C(=O)[O-])C=C1F	REAL300000517367	1	39	-2.0	-120.77	347.90	6.73	-114.04
COC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=C(F)C(OC)=C2)C=CS1	REAL300000517368	0	33	-2.0	-121.36	320.95	3.06	-118.30
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C(C(=O)[O-])C=C1F	REAL300000517369	0	39	-2.0	-123.02	353.40	6.78	-116.24
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C(C(=O)[O-])C=C1F	REAL300000517370	0	42	-2.0	-114.67	363.46	5.23	-109.44
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(OC)=C(F)C=C1C(=O)[O-]	REAL300000517371	0	41	-2.0	-113.36	358.70	4.52	-108.84
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1	REAL300000517372	1	41	-2.0	-123.61	369.95	2.14	-121.47
COC1=CC([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=C(C(=O)[O-])C=C1F	REAL300000517374	0	37	-2.0	-129.49	342.30	2.98	-126.51
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])O1	REAL300000517375	0	35	-2.0	-118.25	324.82	4.22	-114.03
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C(C(=O)[O-])C=C1F	REAL300000517376	0	32	-2.0	-110.47	322.55	3.84	-106.63
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2OC)=C(C(=O)[O-])C=C1F	REAL300000517377	0	36	-2.0	-112.42	339.64	4.52	-107.90
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517378	1	38	-2.0	-119.25	351.90	6.16	-113.09
COC1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517379	1	36	-2.0	-118.13	337.94	4.21	-113.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])S1	REAL300000517380	0	33	-2.0	-114.59	322.53	3.07	-111.52
COC1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517381	0	35	-2.0	-112.20	331.36	3.32	-108.88
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517382	1	42	-2.0	-120.45	375.66	5.31	-115.14
COC1=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517383	0	45	-2.0	-116.43	385.08	5.57	-110.86
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C(C(=O)[O-])C=C1F	REAL300000517384	1	35	-2.0	-118.31	319.24	5.59	-112.72
COC1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN32)=C(C(=O)[O-])C=C1F	REAL300000517385	0	35	-2.0	-122.39	324.19	5.01	-117.38
COC1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C(C(=O)[O-])C=C1F	REAL300000517386	1	34	-2.0	-120.35	329.63	4.02	-116.33
CCN1N=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=N1	REAL300000517387	0	34	-2.0	-115.74	319.45	1.49	-114.25
CCN1N=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1Cl	REAL300000517388	0	35	-2.0	-111.83	340.41	3.55	-108.28
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C(C(=O)[O-])C=C1F	REAL300000517389	0	29	-2.0	-111.93	298.44	3.24	-108.69
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)=C(C(=O)[O-])C=C1F	REAL300000517390	1	41	-2.0	-129.04	357.46	7.46	-121.58
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=C(C(=O)[O-])C=C1F	REAL300000517391	1	39	-2.0	-117.82	356.61	5.00	-112.82
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C(C(=O)[O-])C=C1F	REAL300000517392	0	32	-2.0	-113.33	326.20	5.23	-108.10
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C(C(=O)[O-])C=C1F	REAL300000517394	0	36	-2.0	-118.73	342.50	5.94	-112.79
COC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)=C(C(=O)[O-])C=C1F	REAL300000517395	0	35	-2.0	-106.37	344.16	5.44	-100.93
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CO2)=C(C(=O)[O-])C=C1F	REAL300000517397	0	32	-2.0	-117.38	303.28	3.28	-114.10
COC1=CSC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=C(F)C(OC)=C2)=C1OC	REAL300000517398	0	37	-2.0	-116.24	351.69	2.63	-113.61
COC1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C(C(=O)[O-])C=C1F	REAL300000517399	0	31	-2.0	-102.83	316.32	3.26	-99.57
COC1=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=C(C(=O)[O-])C=C1F	REAL300000517400	0	38	-2.0	-117.50	342.09	4.63	-112.87
COC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=C(C(=O)[O-])C=C1F	REAL300000517401	1	39	-2.0	-126.63	352.41	6.38	-120.25
COC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517402	0	32	-2.0	-111.40	318.57	2.66	-108.74
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=C(C(=O)[O-])C=C1F	REAL300000517403	0	38	-2.0	-128.49	335.20	6.42	-122.07
COC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C(C(=O)[O-])C=C1F	REAL300000517404	0	30	-2.0	-114.91	302.85	3.06	-111.85
COC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)=C(C(=O)[O-])C=C1F	REAL300000517405	0	34	-2.0	-106.97	326.44	4.01	-102.96
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517406	1	43	-2.0	-122.05	382.41	6.25	-115.80
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C(C2CC2)=N1	REAL300000517407	0	42	-2.0	-119.25	375.54	5.43	-113.82
COC1=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)=C(C(=O)[O-])C=C1F	REAL300000517408	0	36	-2.0	-122.76	336.93	3.98	-118.78
COC1=CC([N-]S(=O)(=O)C2=C(C)NC(=O)NC2=O)=C(C(=O)[O-])C=C1F	REAL300000517409	0	35	-2.0	-122.34	321.75	0.35	-121.99
COC1=CC([N-]S(=O)(=O)C2=CC(C)=NN2C2CCCC2)=C(C(=O)[O-])C=C1F	REAL300000517411	0	45	-2.0	-116.19	385.38	5.82	-110.37
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C(C(=O)[O-])C=C1F	REAL300000517412	0	29	-2.0	-113.60	297.48	3.12	-110.48
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C(C(=O)[O-])C=C1F	REAL300000517413	0	29	-2.0	-111.43	307.50	4.13	-107.30
COC1=CC([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=C(C(=O)[O-])C=C1F	REAL300000517414	0	40	-2.0	-114.82	350.98	2.37	-112.45
COC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C(C(=O)[O-])C=C1F	REAL300000517415	1	39	-2.0	-121.11	342.24	6.79	-114.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C(C)=N1	REAL300000517418	1	38	-2.0	-111.17	341.58	2.06	-109.11
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)=C(C(=O)[O-])C=C1F	REAL300000517419	0	38	-2.0	-122.99	346.10	2.43	-120.56
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2OC)=C(C(=O)[O-])C=C1F	REAL300000517420	0	35	-2.0	-115.84	341.40	2.28	-113.56
COC1=CC([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)=C(C(=O)[O-])C=C1F	REAL300000517421	0	38	-2.0	-112.96	346.00	2.04	-110.92
COC1=CC([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517422	0	41	-2.0	-116.95	366.09	4.72	-112.23
COC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)=C(C(=O)[O-])C=C1F	REAL300000517423	0	41	-2.0	-117.26	362.27	4.37	-112.89
COC1=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C(C(=O)[O-])C=C1F	REAL300000517424	0	30	-2.0	-117.94	301.66	3.04	-114.90
COC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C(C(=O)[O-])C=C1F	REAL300000517425	0	30	-2.0	-119.01	308.19	4.00	-115.01
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)C)=C(C(=O)[O-])C=C1F	REAL300000517426	0	38	-2.0	-112.83	340.43	3.88	-108.95
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C1C	REAL300000517427	0	40	-2.0	-110.22	365.52	4.00	-106.22
COC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])=C(C(=O)[O-])C=C1F	REAL300000517428	0	35	-2.0	-122.87	340.56	6.42	-116.45
COC1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C(C(=O)[O-])C=C1F	REAL300000517429	0	39	-2.0	-112.38	350.90	4.73	-107.65
COC1=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C(C(=O)[O-])C=C1F	REAL300000517430	0	39	-2.0	-119.96	350.64	5.83	-114.13
COC1=NOC(CS(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])=C1	REAL300000517431	1	35	-2.0	-109.21	329.80	0.95	-108.26
COC1=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)=C(C(=O)[O-])C=C1F	REAL300000517432	0	41	-2.0	-115.34	361.78	4.42	-110.92
COC1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C(C(=O)[O-])C=C1F	REAL300000517433	0	34	-2.0	-117.98	327.94	3.74	-114.24
COC1=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C(C(=O)[O-])C=C1F	REAL300000517435	0	36	-2.0	-121.32	349.14	5.08	-116.24
COC1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C(C(=O)[O-])C=C1F	REAL300000517436	1	33	-2.0	-119.57	309.70	1.77	-117.80
COC1=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C(C(=O)[O-])C=C1F	REAL300000517437	0	35	-2.0	-122.12	336.36	5.55	-116.57
COC1=CC([N-]S(=O)(=O)C2=CSN=C2)=C(C(=O)[O-])C=C1F	REAL300000517438	0	28	-2.0	-108.04	284.34	2.23	-105.81
COC1=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C(C(=O)[O-])C=C1F	REAL300000517439	0	36	-2.0	-131.28	346.58	3.89	-127.39
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)=C(C(=O)[O-])C=C1F	REAL300000517440	0	40	-2.0	-136.57	356.41	5.78	-130.79
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=C(F)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000517441	0	37	-3.0	-179.07	345.46	5.06	-174.01
CCC1=C(S(=O)(=O)NC2=CC(OC)=C(F)C=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000517441	1	38	-2.0	-93.22	347.48	5.07	-88.15
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)=C(C(=O)[O-])C=C1F	REAL300000517442	0	45	-2.0	-128.76	388.13	6.62	-122.14
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)=C(C(=O)[O-])C=C1F	REAL300000517443	0	32	-2.0	-108.96	325.24	5.02	-103.94
COC1=CC([N-]S(=O)(=O)C2=CN=CS2)=C(C(=O)[O-])C=C1F	REAL300000517444	0	28	-2.0	-112.78	285.28	1.73	-111.05
COC1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C(C(=O)[O-])C=C1F	REAL300000517445	0	39	-2.0	-117.53	344.42	3.94	-113.59
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=C(C(=O)[O-])C=C1F	REAL300000517446	0	35	-2.0	-124.13	325.60	5.36	-118.77
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000517447	0	39	-2.0	-92.38	351.37	2.93	-89.45
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000517448	0	32	-2.0	-109.32	299.44	4.37	-104.95
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000517449	0	40	-2.0	-110.07	354.53	5.43	-104.64
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000517450	0	32	-2.0	-106.29	311.33	5.06	-101.23
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000517451	0	32	-2.0	-99.19	294.89	4.35	-94.84
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000517452	0	32	-2.0	-112.04	294.91	4.34	-107.70
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000517453	0	36	-2.0	-117.36	323.05	4.14	-113.22
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000517454	0	32	-2.0	-107.49	311.16	4.83	-102.66
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000517455	0	36	-2.0	-98.47	326.36	5.64	-92.83
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000517456	0	35	-2.0	-113.32	310.93	4.87	-108.45
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000517457	0	32	-2.0	-107.09	307.98	4.93	-102.16
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000517458	0	32	-2.0	-107.78	307.42	4.74	-103.04
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000517459	0	32	-2.0	-102.68	320.48	5.30	-97.38
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000517460	0	38	-2.0	-114.37	328.02	5.67	-108.70
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000517461	0	32	-2.0	-109.21	300.39	4.41	-104.80
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000517462	0	38	-2.0	-97.84	338.48	5.93	-91.91
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000517463	0	29	-2.0	-106.42	288.10	3.36	-103.06
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000517464	0	35	-2.0	-112.40	310.35	5.13	-107.27
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000517465	0	36	-2.0	-97.21	325.98	4.63	-92.58
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000517466	0	43	-2.0	-93.94	371.75	5.41	-88.53
COC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000517467	0	29	-2.0	-102.63	305.13	4.13	-98.50
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000517468	0	33	-2.0	-110.33	301.56	3.69	-106.64
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000517469	0	36	-2.0	-113.02	318.69	3.18	-109.84
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000517470	0	32	-2.0	-102.31	304.02	4.03	-98.28
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000517471	0	38	-2.0	-113.76	326.36	5.66	-108.10
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000517472	0	29	-2.0	-107.74	286.56	3.38	-104.36
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000517473	0	40	-2.0	-112.51	353.23	4.15	-108.36
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000517474	0	36	-2.0	-117.99	322.19	4.41	-113.58
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000517475	0	42	-2.0	-116.68	350.15	6.97	-109.71
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000517476	0	41	-2.0	-114.68	348.81	6.35	-108.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC	REAL300000517477	0	38	-2.0	-110.16	325.04	6.07	-104.09
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000517478	0	39	-2.0	-118.21	345.34	4.90	-113.31
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000517479	0	34	-3.0	-188.31	323.32	4.91	-183.40
COC1=CC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000517479	1	35	-2.0	-109.08	323.34	4.86	-104.22
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000517480	0	39	-2.0	-116.93	339.16	6.24	-110.69
COC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000517481	0	32	-2.0	-105.35	297.92	3.48	-101.87
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000517482	0	38	-2.0	-117.03	337.08	4.12	-112.91
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000517483	0	36	-2.0	-112.88	323.90	3.43	-109.45
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000517484	0	40	-2.0	-97.99	347.83	4.94	-93.05
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000517485	0	32	-2.0	-101.50	322.59	5.19	-96.31
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000517486	0	32	-2.0	-103.58	312.51	4.94	-98.64
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000517487	0	36	-2.0	-95.58	342.01	5.16	-90.42
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000517488	0	39	-2.0	-97.73	346.06	5.32	-92.41
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000517489	0	42	-2.0	-96.14	374.66	5.59	-90.55
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000517490	0	35	-2.0	-102.81	315.62	5.16	-97.65
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000517491	0	45	-2.0	-97.71	388.50	6.25	-91.46
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000517492	0	36	-2.0	-96.51	332.21	4.68	-91.83
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000517493	0	42	-2.0	-95.87	384.45	6.07	-89.80
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC)C=C1C(=O)[O-]	REAL300000517494	0	39	-2.0	-118.65	344.05	5.32	-113.33
COC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000517495	0	32	-2.0	-108.72	303.54	4.24	-104.48
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000517496	0	32	-2.0	-100.82	323.14	5.36	-95.46
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000517497	0	32	-2.0	-96.42	307.96	4.92	-91.50
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000517498	0	32	-2.0	-95.77	311.31	5.05	-90.72
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000517499	0	32	-2.0	-98.54	299.43	4.38	-94.16
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000517500	0	29	-2.0	-101.14	287.18	3.47	-97.67
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000517501	0	32	-2.0	-102.71	301.32	4.41	-98.30
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000517502	0	35	-2.0	-110.75	320.66	5.04	-105.71
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000517503	0	36	-2.0	-101.11	335.22	4.97	-96.14
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000517504	0	32	-2.0	-98.73	300.38	4.42	-94.31
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000517505	0	32	-2.0	-96.68	307.40	4.75	-91.93
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000517506	0	35	-2.0	-104.55	324.36	5.55	-99.00
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000517507	0	40	-2.0	-95.14	358.64	5.76	-89.38
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000517508	0	32	-2.0	-96.32	311.13	4.84	-91.48
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000517509	0	32	-2.0	-100.66	305.73	4.44	-96.22
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000517510	0	34	-2.0	-96.79	323.10	5.01	-91.78
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000517511	0	33	-2.0	-111.11	304.63	2.05	-109.06
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000517512	0	35	-2.0	-102.87	317.09	5.12	-97.75
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000517513	0	32	-2.0	-102.18	315.62	4.88	-97.30
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000517514	0	35	-2.0	-108.15	304.95	4.99	-103.16
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000517515	0	35	-2.0	-110.75	319.74	5.00	-105.75
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000517516	0	35	-2.0	-99.10	310.32	5.12	-93.98
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000517517	0	38	-2.0	-115.43	327.79	5.41	-110.02
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000517518	0	34	-2.0	-109.80	321.47	5.44	-104.36
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000517519	0	32	-2.0	-100.76	306.65	4.47	-96.29
COC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000517520	0	29	-2.0	-99.02	307.49	4.03	-94.99
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000517521	0	38	-2.0	-112.56	328.44	5.76	-106.80
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000517522	0	35	-2.0	-111.57	320.23	5.04	-106.53
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000517523	0	35	-2.0	-108.99	326.69	5.48	-103.51
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000517524	0	35	-2.0	-117.24	319.96	5.04	-112.20
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC)C=C1C(=O)[O-]	REAL300000517525	0	38	-2.0	-114.21	328.85	5.53	-108.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC)C=C1CC(=O)[O-]	REAL300000517526	0	39	-2.0	-114.71	345.37	4.47	-110.24
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000517527	0	35	-2.0	-101.28	321.17	5.53	-95.75
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000517528	0	35	-2.0	-95.55	325.02	5.16	-90.39
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000517529	0	35	-2.0	-109.68	326.14	5.30	-104.38
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000517530	0	32	-2.0	-104.69	316.20	4.96	-99.73
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC)C=C1C(=O)[O-]	REAL300000517531	0	36	-2.0	-111.66	322.93	4.56	-107.10
COC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000517532	0	44	-2.0	-110.91	359.82	7.19	-103.72
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000517533	0	32	-2.0	-99.31	320.53	4.90	-94.41
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000517534	0	36	-2.0	-98.16	339.61	4.63	-93.53
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000517535	0	35	-2.0	-105.41	324.77	5.31	-100.10
COC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000517536	0	41	-2.0	-107.89	344.35	6.48	-101.41
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000517537	0	36	-2.0	-112.65	335.24	4.98	-107.67
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000517538	0	35	-2.0	-100.95	314.96	4.99	-95.96
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000517539	0	37	-2.0	-103.54	338.16	6.54	-97.00
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000517540	0	35	-2.0	-109.53	314.86	5.16	-104.37
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000517541	0	34	-2.0	-119.23	318.65	6.20	-113.03
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000517542	0	32	-2.0	-116.37	298.55	4.37	-112.00
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000517543	0	35	-2.0	-103.62	316.07	4.92	-98.70
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000517544	0	38	-2.0	-120.64	335.95	6.46	-114.18
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000517545	0	31	-2.0	-109.93	291.13	2.46	-107.47
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000517546	0	36	-2.0	-103.46	323.11	4.14	-99.32
COC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000517547	0	29	-2.0	-99.45	295.01	3.32	-96.13
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000517548	0	36	-2.0	-107.16	338.69	4.89	-102.27
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000517549	0	35	-2.0	-103.21	338.26	1.38	-101.83
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000517550	0	39	-2.0	-105.77	341.04	6.22	-99.55
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000517551	0	39	-2.0	-109.16	339.00	6.20	-102.96
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC)C=C(C(=O)[O-])O1	REAL300000517552	0	35	-2.0	-105.00	317.03	4.33	-100.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=CC=C1F	REAL300000517553	1	34	-2.0	-101.78	321.59	7.46	-94.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1	REAL300000517554	1	34	-2.0	-91.96	317.02	7.44	-84.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517555	1	34	-2.0	-104.31	317.04	7.43	-96.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC(F)=CC=C21	REAL300000517556	0	38	-2.0	-109.71	345.18	7.22	-102.49
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1	REAL300000517557	1	38	-2.0	-91.42	348.51	8.72	-82.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1C(=O)[O-]	REAL300000517558	1	37	-2.0	-105.46	333.05	7.96	-97.50
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517559	0	34	-2.0	-99.82	330.11	8.00	-91.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=CC=C1Cl	REAL300000517560	1	34	-2.0	-100.17	329.56	7.82	-92.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1C	REAL300000517561	1	40	-2.0	-107.29	349.70	8.77	-98.52
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517562	0	34	-2.0	-101.71	322.51	7.49	-94.22
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1	REAL300000517563	1	40	-2.0	-90.64	360.62	9.01	-81.63
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517564	0	31	-2.0	-98.67	310.22	6.45	-92.22
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC(F)=CC=C21	REAL300000517565	1	37	-2.0	-105.14	332.47	8.22	-96.92
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1	REAL300000517566	1	38	-2.0	-90.12	348.11	7.70	-82.42
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1C(=O)[O-]	REAL300000517567	0	35	-2.0	-102.56	323.69	6.78	-95.78
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC(F)=CC=C21	REAL300000517568	1	38	-2.0	-105.42	341.24	6.24	-99.18
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517569	0	34	-2.0	-94.82	326.17	7.10	-87.72
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1C(=O)[O-]	REAL300000517570	1	40	-2.0	-106.31	348.48	8.75	-97.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=CS1	REAL300000517571	0	31	-2.0	-100.07	308.69	6.46	-93.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1C(=O)[O-]	REAL300000517572	1	38	-2.0	-110.05	344.31	7.49	-102.56
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517573	1	44	-2.0	-108.86	372.28	10.06	-98.80
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC(F)=CC=C21	REAL300000517574	1	43	-2.0	-107.21	370.93	9.43	-97.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC(F)=CC=C21	REAL300000517575	1	40	-2.0	-103.35	345.16	9.07	-94.28
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC(F)=CC=C21	REAL300000517576	0	41	-2.0	-110.06	367.47	7.99	-102.07
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517577	0	37	-2.0	-107.42	344.41	7.91	-99.51
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517577	1	36	-3.0	-180.23	345.44	7.99	-172.24
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517578	1	41	-2.0	-109.26	361.28	9.32	-99.94
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C(C(=O)[O-])O1	REAL300000517579	0	34	-2.0	-98.28	320.04	6.56	-91.72
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517580	0	38	-2.0	-105.26	345.95	6.52	-98.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C(Cl)C=C1F	REAL300000517581	0	34	-2.0	-96.60	334.63	8.02	-88.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=CC=C1OCC(=O)[O-]	REAL300000517582	1	41	-2.0	-90.53	368.18	8.42	-82.11
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC(F)=CC=C21	REAL300000517583	1	37	-2.0	-95.74	337.74	8.24	-87.50
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1F	REAL300000517584	1	38	-2.0	-89.61	354.33	7.78	-81.83
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1C(=O)[O-]	REAL300000517585	1	41	-2.0	-110.71	366.17	8.40	-102.31
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C(C(=O)[O-])S1	REAL300000517586	0	34	-2.0	-101.46	326.73	7.31	-94.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C(Cl)=C1	REAL300000517587	0	34	-2.0	-89.37	330.08	7.99	-81.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1F	REAL300000517588	1	34	-2.0	-91.46	321.55	7.47	-83.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)S1	REAL300000517589	0	31	-2.0	-93.72	309.29	6.55	-87.17
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517590	0	34	-2.0	-95.26	323.45	7.49	-87.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1F	REAL300000517591	0	37	-2.0	-103.11	342.79	8.12	-94.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C(F)=C1	REAL300000517592	0	34	-2.0	-91.42	322.50	7.50	-83.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1Cl	REAL300000517593	1	34	-2.0	-89.51	329.52	7.83	-81.68
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC(F)=CC=C21	REAL300000517594	1	37	-2.0	-97.40	346.48	8.63	-88.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=CC(F)=C1F	REAL300000517595	1	34	-2.0	-93.41	327.85	7.52	-85.89
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517596	0	36	-2.0	-89.41	345.23	8.09	-81.32
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517597	0	35	-2.0	-104.15	326.75	5.14	-99.01
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517597	1	35	-2.0	-104.01	321.36	5.98	-98.03
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1	REAL300000517598	1	37	-2.0	-95.42	339.22	8.20	-87.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=CC(Cl)=C1F	REAL300000517599	1	34	-2.0	-94.84	337.74	7.96	-86.88
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CC(F)=CC=C21	REAL300000517600	1	37	-2.0	-100.30	327.07	8.06	-92.24
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=CC(C(=O)[O-])=C1F	REAL300000517601	1	37	-2.0	-103.16	341.88	8.08	-95.08
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CC(F)=CC=C21	REAL300000517602	1	37	-2.0	-91.96	332.45	8.20	-83.76
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000517603	1	40	-2.0	-107.29	350.50	8.51	-98.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=CC=C1[N+](=O)[O-]	REAL300000517604	0	36	-2.0	-102.68	343.59	8.52	-94.16
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517605	0	34	-2.0	-93.39	328.77	7.55	-85.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C(C)=C1C(=O)[O-]	REAL300000517606	1	40	-2.0	-104.51	351.51	8.82	-95.69
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1C(=O)[O-]	REAL300000517607	0	37	-2.0	-102.83	338.51	8.03	-94.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1Cl	REAL300000517608	0	37	-2.0	-101.54	348.82	8.56	-92.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517609	0	37	-2.0	-109.19	342.09	8.13	-101.06
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1C(=O)[O-]	REAL300000517610	1	40	-2.0	-106.17	351.36	8.62	-97.55
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1CC(=O)[O-]	REAL300000517611	1	41	-2.0	-106.61	367.50	7.56	-99.05
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=CC(F)=CC=C21	REAL300000517612	1	37	-2.0	-93.66	343.30	8.60	-85.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=CC(C(=O)[O-])=C1Cl	REAL300000517613	1	37	-2.0	-101.89	348.27	8.39	-93.50
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1C(=O)[O-]	REAL300000517614	0	38	-2.0	-103.89	345.17	7.64	-96.25
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1C(=O)[O-]	REAL300000517615	1	37	-2.0	-97.64	346.90	8.39	-89.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=CC=C1C(=O)[O-]	REAL300000517616	1	37	-2.0	-92.05	333.04	7.97	-84.08
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC(F)=CC=C21	REAL300000517617	1	37	-2.0	-102.84	336.57	8.26	-94.58
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1[N+](=O)[O-]	REAL300000517618	0	36	-2.0	-111.43	340.78	9.29	-102.14
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1F	REAL300000517619	0	34	-2.0	-108.40	320.67	7.45	-100.95
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C1C(=O)[O-]	REAL300000517620	1	37	-2.0	-96.02	338.20	8.00	-88.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=CC2=CC=CC=C21	REAL300000517621	1	40	-2.0	-112.43	358.08	9.55	-102.88
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C1	REAL300000517622	0	33	-2.0	-101.54	314.02	5.48	-96.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CC(F)=CC=C21	REAL300000517623	0	38	-2.0	-95.96	345.24	7.22	-88.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)=C(Cl)O1	REAL300000517624	0	31	-2.0	-92.12	317.14	6.40	-85.72
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CC(F)=CC=C43)C=C2)CC1	REAL300000517625	1	41	-2.0	-98.33	363.16	9.31	-89.02
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CC(F)=CC=C43)C=C2C1	REAL300000517626	1	41	-2.0	-100.99	361.12	9.29	-91.70
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC(F)=CC=C32)C=C(C(=O)[O-])O1	REAL300000517627	0	37	-2.0	-97.95	339.16	7.41	-90.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C3CC3)=N2)C=C1	REAL300000517628	0	40	-2.0	-103.94	367.06	6.26	-97.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C3CC3)=N2)=C1	REAL300000517629	0	40	-2.0	-117.11	367.09	6.24	-110.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C3CC3)=N2)C=C1C(=O)[O-]	REAL300000517630	0	43	-2.0	-118.50	383.11	6.78	-111.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C3CC3)=N2)=C1	REAL300000517631	0	37	-2.0	-111.25	360.27	5.25	-106.00
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NOC(C2CC2)=N1	REAL300000517632	0	43	-2.0	-116.37	382.52	7.01	-109.36
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C3CC3)=N2)C=C1C(=O)[O-]	REAL300000517633	0	41	-2.0	-115.30	373.73	5.59	-109.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C3CC3)=N2)=CS1	REAL300000517634	0	37	-2.0	-112.65	358.74	5.27	-107.38
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C3CC3)=N2)C=C(C(=O)[O-])O1	REAL300000517635	0	40	-2.0	-109.50	370.10	5.37	-104.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C3CC3)=N2)S1	REAL300000517636	0	37	-2.0	-105.95	359.34	5.37	-100.58
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C3CC3)=N2)C=C1	REAL300000517637	0	43	-2.0	-107.00	389.25	7.02	-99.98
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NOC(C2CC2)=N1	REAL300000517638	0	43	-2.0	-113.82	377.13	6.87	-106.95
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NOC(C2CC2)=N1	REAL300000517639	1	43	-2.0	-103.48	382.50	7.00	-96.48
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C3CC3)=N2)=CC=C1C(=O)[O-]	REAL300000517640	0	43	-2.0	-104.18	383.09	6.79	-97.39
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NOC(C3CC3)=N2)=C1	REAL300000517641	0	39	-2.0	-115.36	363.29	4.37	-110.99
NC(=O)CN(C1=CC=C(F)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000517665	0	38	-2.0	-112.57	351.46	3.79	-108.78
NC(=O)CN(C1=CC=C(F)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000517682	0	36	-2.0	-111.86	324.92	2.92	-108.94
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000517707	1	46	-2.0	-109.80	388.86	8.99	-100.81
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000517709	1	46	-2.0	-112.97	384.32	8.95	-104.02
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1C(C)C	REAL300000517710	0	50	-2.0	-118.97	412.46	8.75	-110.22
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000517711	1	50	-2.0	-98.51	415.79	10.25	-88.26
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000517713	0	46	-2.0	-108.31	397.39	9.53	-98.78
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000517714	1	46	-2.0	-108.41	396.84	9.35	-99.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C(C)C)=C1C	REAL300000517715	1	52	-2.0	-115.87	417.43	10.28	-105.59
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000517716	0	46	-2.0	-110.60	389.80	9.02	-101.58
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000517717	1	52	-2.0	-98.01	427.90	10.54	-87.47
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000517718	0	43	-2.0	-106.87	377.51	7.97	-98.90
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1C(C)C	REAL300000517719	1	49	-2.0	-113.83	399.76	9.73	-104.10
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000517721	1	47	-2.0	-111.07	390.97	8.31	-102.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C(C)C)=C1	REAL300000517723	0	46	-2.0	-102.79	393.45	8.64	-94.15
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000517725	0	43	-2.0	-108.29	375.97	7.99	-100.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1C(C)C	REAL300000517727	1	52	-2.0	-111.60	411.95	10.56	-101.04
CC1=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000517728	0	46	-2.0	-106.36	387.33	8.09	-98.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C(C)C)=C1	REAL300000517729	0	50	-2.0	-113.28	413.29	8.04	-105.24
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1C(C)C	REAL300000517730	1	49	-2.0	-103.98	405.03	9.77	-94.21
CC1=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C(C)C)C=C(C(=O)[O-])S1	REAL300000517731	1	46	-2.0	-109.83	394.01	8.84	-100.99
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000517732	0	46	-2.0	-96.59	397.37	9.52	-87.07
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000517733	1	46	-2.0	-98.61	388.85	8.99	-89.62
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000517734	0	43	-2.0	-101.44	376.58	8.08	-93.36
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000517735	1	46	-2.0	-103.33	390.74	9.01	-94.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C(C)C)=C1F	REAL300000517736	0	49	-2.0	-112.23	410.07	9.65	-102.58
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000517737	0	46	-2.0	-99.09	389.78	9.03	-90.06
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000517738	1	46	-2.0	-96.82	396.82	9.36	-87.46
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000517739	1	46	-2.0	-100.95	395.14	9.05	-91.90
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000517740	0	47	-2.0	-112.78	394.03	6.67	-106.11
CC(C)C1=CC=C(C(C)C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000517740	1	47	-2.0	-111.05	390.98	7.51	-103.54
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000517741	1	49	-2.0	-103.62	406.51	9.73	-93.89
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1C(C)C	REAL300000517742	1	49	-2.0	-108.30	394.36	9.58	-98.72
CC1=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C(C)C)=CC(C(=O)[O-])=C1F	REAL300000517743	1	49	-2.0	-111.33	409.15	9.61	-101.72
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000517746	0	46	-2.0	-101.83	396.05	9.08	-92.75
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000517748	0	49	-2.0	-111.97	405.80	9.55	-102.42
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C(C)C)=C1	REAL300000517749	0	49	-2.0	-117.70	409.33	9.65	-108.05
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000517751	1	50	-2.0	-112.38	412.27	9.17	-103.21
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000517754	0	46	-2.0	-116.74	387.96	8.97	-107.77
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000517755	1	49	-2.0	-104.37	405.49	9.53	-94.84
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000517756	0	45	-2.0	-110.51	381.29	7.01	-103.50
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1C(C)C	REAL300000517757	0	50	-2.0	-103.97	412.52	8.75	-95.22
CC(C)C1=CC=C(C(C)C)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000517758	0	43	-2.0	-99.95	384.43	7.93	-92.02
CCC1=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000517759	0	49	-2.0	-105.97	405.49	8.90	-97.07
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1	REAL300000517760	1	40	-2.0	-90.53	357.98	3.44	-87.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC=C1F	REAL300000517761	1	33	-2.0	-106.85	306.05	4.89	-101.96
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC2=C1	REAL300000517762	0	41	-2.0	-107.69	361.13	5.94	-101.75
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517763	0	33	-2.0	-103.86	317.93	5.57	-98.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1	REAL300000517764	1	33	-2.0	-97.01	301.50	4.86	-92.15
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517765	1	33	-2.0	-109.67	301.51	4.85	-104.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC2=C1	REAL300000517766	0	37	-2.0	-114.51	329.66	4.65	-109.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC=C1Br	REAL300000517767	1	33	-2.0	-104.82	317.77	5.35	-99.47
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1	REAL300000517768	1	37	-2.0	-96.56	332.97	6.15	-90.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1C(=O)[O-]	REAL300000517769	1	36	-2.0	-110.65	317.53	5.39	-105.26
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517770	0	33	-2.0	-104.58	314.58	5.43	-99.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC=C1Cl	REAL300000517771	1	33	-2.0	-105.21	314.03	5.25	-99.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C(Cl)C=C1Cl	REAL300000517772	0	33	-2.0	-100.18	327.08	5.80	-94.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1C	REAL300000517773	1	39	-2.0	-111.56	333.90	6.18	-105.38
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517774	0	33	-2.0	-106.31	306.99	4.92	-101.39
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1	REAL300000517775	1	39	-2.0	-96.07	345.09	6.44	-89.63
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517776	0	30	-2.0	-103.64	294.69	3.87	-99.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC2=C1	REAL300000517777	1	36	-2.0	-109.70	316.94	5.65	-104.05
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1C(=O)[O-]	REAL300000517779	0	34	-2.0	-108.06	308.16	4.21	-103.85
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517781	0	33	-2.0	-99.98	310.63	4.54	-95.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CS1	REAL300000517783	0	30	-2.0	-105.28	293.16	3.90	-101.38
COC1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000517784	1	41	-2.0	-109.53	359.82	4.67	-104.86
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517786	1	43	-2.0	-113.68	356.77	7.47	-106.21
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC2=C1	REAL300000517787	1	42	-2.0	-112.02	355.42	6.87	-105.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC2=C1	REAL300000517788	1	39	-2.0	-107.84	331.65	6.58	-101.26
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC2=C1	REAL300000517789	0	40	-2.0	-114.06	351.94	5.41	-108.65
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3CCOC3=C2)=CC(C(=O)[O-])=C1	REAL300000517790	0	36	-2.0	-112.93	336.64	5.29	-107.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC(C(=O)[O-])=C1	REAL300000517790	1	35	-3.0	-185.08	329.91	5.42	-179.66
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517791	1	40	-2.0	-113.96	345.76	6.76	-107.20
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C(C(=O)[O-])O1	REAL300000517792	0	33	-2.0	-102.85	304.52	4.00	-98.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC2=C1OCCO2	REAL300000517793	1	39	-2.0	-114.43	343.69	4.63	-109.80
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517794	0	37	-2.0	-110.89	330.50	3.94	-106.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC(Cl)=C1Cl	REAL300000517796	1	33	-2.0	-99.13	329.19	5.71	-93.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C(Cl)C=C1F	REAL300000517797	0	33	-2.0	-101.25	319.10	5.45	-95.80
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1Cl	REAL300000517798	1	37	-2.0	-93.70	348.62	5.68	-88.02
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1F	REAL300000517800	1	43	-2.0	-94.39	381.26	6.11	-88.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC2=C1	REAL300000517801	1	36	-2.0	-100.29	322.22	5.68	-94.61
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1F	REAL300000517803	1	37	-2.0	-94.71	338.81	5.20	-89.51
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C(C(=O)[O-])S1	REAL300000517805	1	33	-2.0	-106.09	311.20	4.75	-101.34
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517806	0	33	-2.0	-98.38	329.73	5.88	-92.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C(Cl)=C1	REAL300000517807	0	33	-2.0	-94.63	314.56	5.42	-89.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C(Br)=C1	REAL300000517808	0	33	-2.0	-94.03	317.91	5.56	-88.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1F	REAL300000517809	1	33	-2.0	-96.45	306.04	4.90	-91.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)S1	REAL300000517810	0	30	-2.0	-98.70	293.77	3.99	-94.71
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517811	1	33	-2.0	-100.38	307.91	4.92	-95.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1F	REAL300000517812	0	36	-2.0	-107.72	327.27	5.56	-102.16
COC1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000517813	0	37	-2.0	-99.21	341.82	5.48	-93.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C(F)=C1	REAL300000517814	0	33	-2.0	-96.55	306.97	4.93	-91.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1Cl	REAL300000517815	1	33	-2.0	-94.51	314.02	5.26	-89.25
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOC2=C1	REAL300000517816	1	36	-2.0	-101.98	330.95	6.07	-95.91
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1	REAL300000517817	1	41	-2.0	-93.25	365.25	6.27	-86.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1Br	REAL300000517818	1	33	-2.0	-94.15	317.75	5.36	-88.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC(F)=C1F	REAL300000517819	1	33	-2.0	-98.53	312.34	4.95	-93.58
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517820	0	35	-2.0	-94.40	329.71	5.53	-88.87
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517821	0	34	-2.0	-108.45	311.22	2.57	-105.88
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CCOC3=C2)=C1	REAL300000517821	1	34	-2.0	-106.61	310.43	3.37	-103.24
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1	REAL300000517822	1	36	-2.0	-101.95	323.69	5.63	-96.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC(Cl)=C1F	REAL300000517823	1	33	-2.0	-99.97	322.22	5.39	-94.58
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CCOC2=C1	REAL300000517824	1	36	-2.0	-106.22	311.55	5.50	-100.72
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC(C(=O)[O-])=C1F	REAL300000517825	1	36	-2.0	-108.22	326.35	5.51	-102.71
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC(C(=O)[O-])=C1C	REAL300000517827	1	39	-2.0	-114.04	339.01	6.06	-107.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC=C1[N+](=O)[O-]	REAL300000517828	0	35	-2.0	-107.71	328.06	5.95	-101.76
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517829	0	33	-2.0	-98.06	313.27	4.98	-93.08
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1C(=O)[O-]	REAL300000517831	0	36	-2.0	-108.67	326.82	5.55	-103.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1Cl	REAL300000517832	0	36	-2.0	-106.35	333.27	5.99	-100.36
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517833	0	36	-2.0	-115.10	326.55	5.55	-109.55
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1C(=O)[O-]	REAL300000517834	1	39	-2.0	-111.40	335.48	6.04	-105.36
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2CCOC2=C1	REAL300000517836	1	36	-2.0	-99.34	327.77	6.03	-93.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1C(F)(F)F	REAL300000517837	1	36	-2.0	-93.52	331.63	5.67	-87.85
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000517838	1	36	-2.0	-107.01	332.73	5.82	-101.19
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517839	1	33	-2.0	-102.31	322.80	5.47	-96.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1C(=O)[O-]	REAL300000517840	0	37	-2.0	-109.33	329.53	5.08	-104.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C(F)C(Cl)=C1F	REAL300000517842	0	33	-2.0	-96.64	327.09	5.41	-91.23
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1C(=O)[O-]	REAL300000517843	1	36	-2.0	-102.70	331.39	5.82	-96.88
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C(C(=O)[O-])S1	REAL300000517844	0	42	-2.0	-105.86	350.95	6.99	-98.87
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1C(=O)[O-]	REAL300000517845	0	37	-2.0	-110.10	341.84	5.50	-104.60
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC=C1C(=O)[O-]	REAL300000517846	1	36	-2.0	-97.17	317.52	5.40	-91.77
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C([N+](=O)[O-])=C1	REAL300000517847	0	38	-2.0	-103.03	344.77	7.05	-95.98
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1[N+](=O)[O-]	REAL300000517849	0	35	-2.0	-117.69	325.25	6.70	-110.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1F	REAL300000517850	0	33	-2.0	-114.36	305.17	4.89	-109.47
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C1C(=O)[O-]	REAL300000517851	1	36	-2.0	-101.00	322.69	5.43	-95.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=CC2=CC=CC=C21	REAL300000517852	1	39	-2.0	-117.77	342.55	6.98	-110.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C1	REAL300000517853	0	32	-2.0	-105.98	298.50	2.92	-103.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCOC2=C1	REAL300000517854	0	37	-2.0	-101.28	329.71	4.66	-96.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)=C(Cl)O1	REAL300000517855	0	30	-2.0	-96.89	301.66	3.83	-93.06
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCOC4=C3)C=C2)CC1	REAL300000517856	1	40	-2.0	-103.47	347.64	6.73	-96.74
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCOC4=C3)C=C2C1	REAL300000517857	1	40	-2.0	-108.03	346.96	6.75	-101.28
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCOC3=C2)C=C(C(=O)[O-])O1	REAL300000517858	0	36	-2.0	-102.65	323.64	4.85	-97.80
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000517859	1	46	-2.0	-111.11	383.03	7.09	-104.02
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000517861	1	46	-2.0	-114.15	378.50	7.05	-107.10
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000517863	0	46	-2.0	-111.96	383.97	7.12	-104.84
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000517864	0	43	-2.0	-107.99	371.68	6.07	-101.92
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000517865	1	49	-2.0	-115.37	393.93	7.84	-107.53
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000517866	1	47	-2.0	-112.17	385.14	6.40	-105.77
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(N3CCCCC3)=CC=C2C)=C1	REAL300000517867	0	46	-2.0	-103.66	387.63	6.74	-96.92
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000517868	0	43	-2.0	-109.42	370.15	6.09	-103.33
CC1=C(S(=O)(=O)[N-]C2=CC(N3CCCCC3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000517869	0	46	-2.0	-107.77	381.50	6.19	-101.58
CC1=C(S(=O)(=O)[N-]C2=CC(N3CCCCC3)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000517870	1	46	-2.0	-111.29	388.18	6.94	-104.35
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000517871	1	46	-2.0	-99.65	383.01	7.10	-92.55
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000517872	0	43	-2.0	-102.40	370.75	6.19	-96.21
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000517873	1	46	-2.0	-104.17	384.90	7.12	-97.05
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000517874	0	46	-2.0	-100.03	383.96	7.13	-92.90
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000517875	0	47	-2.0	-114.56	388.21	4.76	-109.80
CC1=CC=C(N2CCCCC2)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000517875	1	47	-2.0	-112.94	385.62	5.60	-107.34
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000517876	1	49	-2.0	-104.69	400.66	7.84	-96.85
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000517877	1	49	-2.0	-109.16	388.53	7.70	-101.46
CCN1C=C(S(=O)(=O)[N-]C2=CC(N3CCCCC3)=CC=C2C)C=C1C(=O)[O-]	REAL300000517879	1	50	-2.0	-113.56	406.52	7.27	-106.29
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000517881	0	46	-2.0	-117.35	382.12	7.08	-110.27
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000517882	0	45	-2.0	-111.66	374.70	5.18	-106.48
CC1=CC=C(N2CCCCC2)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000517883	0	43	-2.0	-101.16	378.60	6.03	-95.13
CCC1=C(S(=O)(=O)[N-]C2=CC(N3CCCCC3)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000517884	0	49	-2.0	-107.54	400.62	7.04	-100.50
CN(C1=CC(F)=CC=C1Cl)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000517910	0	34	-2.0	-109.59	344.37	7.81	-101.78
CN(C1=CC(F)=CC=C1Cl)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000517932	0	32	-2.0	-105.81	313.24	5.95	-99.86
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)C=N1	REAL300000517964	1	38	-2.0	-112.39	350.31	6.33	-106.06
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)C=N1	REAL300000517965	1	38	-2.0	-102.34	345.75	6.31	-96.03
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300000517966	1	38	-2.0	-115.12	345.77	6.30	-108.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN(C)N=C2)=C1	REAL300000517967	0	42	-2.0	-120.28	373.91	6.10	-114.18
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)C=N1	REAL300000517968	1	42	-2.0	-101.53	377.23	7.60	-93.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)C=C1C(=O)[O-]	REAL300000517969	1	41	-2.0	-116.35	361.78	6.83	-109.52
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C2)C=N1	REAL300000517970	0	38	-2.0	-110.16	358.84	6.87	-103.29
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2)C=N1	REAL300000517971	1	38	-2.0	-110.81	358.28	6.69	-104.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)=C1C	REAL300000517972	1	44	-2.0	-117.51	378.44	7.65	-109.86
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)C=N1	REAL300000517973	0	38	-2.0	-112.12	351.24	6.36	-105.76
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2)C=N1	REAL300000517974	1	44	-2.0	-100.77	389.35	7.88	-92.89
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)C=N1	REAL300000517975	0	35	-2.0	-109.32	338.95	5.31	-104.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN(C)N=C2)=C1	REAL300000517976	1	41	-2.0	-115.39	361.20	7.09	-108.30
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)C=N1	REAL300000517978	0	39	-2.0	-113.50	352.42	5.65	-107.85
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)=C1	REAL300000517980	0	38	-2.0	-105.41	354.88	5.99	-99.42
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)C=N1	REAL300000517982	0	35	-2.0	-110.72	337.42	5.33	-105.39
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN(C)N=C2)=C1	REAL300000517984	1	47	-2.0	-117.64	399.67	8.31	-109.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN(C)N=C2)=C1	REAL300000517985	1	44	-2.0	-113.47	375.92	8.02	-105.45
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C2)C=N1	REAL300000517986	1	45	-2.0	-119.73	390.01	8.20	-111.53
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)C=C(C(=O)[O-])O1	REAL300000517987	0	38	-2.0	-108.42	348.77	5.43	-102.99
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)=C1	REAL300000517988	0	42	-2.0	-116.30	374.75	5.39	-110.91
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN(C)N=C2)=C1	REAL300000517989	1	41	-2.0	-105.89	366.47	7.12	-98.77
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)C=C(C(=O)[O-])S1	REAL300000517990	1	38	-2.0	-111.70	355.46	6.19	-105.51
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2)C=N1	REAL300000517991	0	38	-2.0	-99.73	358.82	6.86	-92.87
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)C=N1	REAL300000517992	1	38	-2.0	-101.73	350.29	6.34	-95.39
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)C=N1	REAL300000517993	0	35	-2.0	-104.09	338.04	5.43	-98.66
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300000517994	1	38	-2.0	-105.80	352.18	6.37	-99.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)=C1F	REAL300000517995	0	41	-2.0	-113.56	371.52	7.00	-106.56
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)C=N1	REAL300000517996	0	38	-2.0	-101.88	351.23	6.37	-95.51
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2)C=N1	REAL300000517997	1	38	-2.0	-99.77	358.26	6.70	-93.07
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C2)C=N1	REAL300000517998	1	38	-2.0	-103.71	356.58	6.39	-97.32
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)C=N1	REAL300000517999	0	39	-2.0	-114.12	355.48	4.01	-110.11
CN1C=C(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)C=N1	REAL300000517999	1	39	-2.0	-111.89	354.57	4.89	-107.00
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)C=N1	REAL300000518000	1	41	-2.0	-105.56	367.95	7.08	-98.48
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN(C)N=C2)=C1	REAL300000518001	1	41	-2.0	-111.58	355.83	6.94	-104.64
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)=CC(C(=O)[O-])=C1F	REAL300000518002	1	41	-2.0	-113.81	370.60	6.95	-106.86
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)=CC(C(=O)[O-])=C1C	REAL300000518004	1	44	-2.0	-119.80	382.57	7.47	-112.33
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2)C=N1	REAL300000518005	0	38	-2.0	-103.71	357.52	6.43	-97.28
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)C=C1C(=O)[O-]	REAL300000518007	0	41	-2.0	-114.45	371.08	7.00	-107.45
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)=C1	REAL300000518008	0	41	-2.0	-120.68	370.80	6.99	-113.69
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)C=C1C(=O)[O-]	REAL300000518009	1	44	-2.0	-117.06	380.05	7.49	-109.57
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)C=C1C(=O)[O-]	REAL300000518010	0	42	-2.0	-114.85	373.90	6.51	-108.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)=CC=C1C(=O)[O-]	REAL300000518011	1	41	-2.0	-102.54	361.77	6.84	-95.70
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)C=N1	REAL300000518013	0	38	-2.0	-119.90	349.38	6.33	-113.57
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)C=C1C(=O)[O-]	REAL300000518014	1	41	-2.0	-107.68	370.71	6.98	-100.70
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)C=N1	REAL300000518015	0	37	-2.0	-112.90	341.98	4.42	-108.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN(C)N=C2)=C1	REAL300000518016	0	42	-2.0	-106.64	373.97	6.09	-100.55
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)C=N1	REAL300000518017	0	35	-2.0	-102.30	345.91	5.28	-97.02
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C2)C=N1	REAL300000518018	1	45	-2.0	-108.58	391.89	8.19	-100.39
CN1C=C(C2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C2)C=N1	REAL300000518019	1	45	-2.0	-113.30	391.20	8.18	-105.12
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN(C)N=C3)=C2)C=C(C(=O)[O-])O1	REAL300000518020	0	41	-2.0	-108.10	367.90	6.28	-101.82
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000518021	1	42	-2.0	-110.26	363.05	7.09	-103.17
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000518022	1	42	-2.0	-100.48	358.49	7.07	-93.41
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000518023	1	42	-2.0	-113.09	358.51	7.06	-106.03
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(C)(C)C)=C1	REAL300000518024	0	46	-2.0	-117.50	386.65	6.86	-110.64
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000518025	1	46	-2.0	-99.59	389.97	8.36	-91.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000518026	1	45	-2.0	-114.26	374.50	7.59	-106.67
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000518027	0	42	-2.0	-107.61	371.58	7.64	-99.97
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000518028	1	42	-2.0	-108.71	371.02	7.46	-101.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)=C1C	REAL300000518029	1	48	-2.0	-114.78	391.18	8.42	-106.36
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000518030	0	42	-2.0	-109.37	363.98	7.13	-102.24
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000518031	1	48	-2.0	-98.62	402.09	8.64	-89.98
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000518032	0	39	-2.0	-107.31	351.69	6.08	-101.23
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(C)(C)C)=C1	REAL300000518033	1	45	-2.0	-112.61	373.93	7.85	-104.76
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000518035	0	43	-2.0	-111.61	365.14	6.41	-105.20
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)=C1	REAL300000518037	0	42	-2.0	-103.40	367.61	6.75	-96.65
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000518039	0	39	-2.0	-108.76	350.16	6.10	-102.66
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(C)(C)C)=C1	REAL300000518041	1	48	-2.0	-110.62	388.67	8.78	-101.84
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000518042	0	42	-2.0	-106.01	361.51	6.20	-99.81
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)=C1	REAL300000518043	0	46	-2.0	-115.72	387.42	6.16	-109.56
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(C)(C)C)=C1	REAL300000518044	1	45	-2.0	-103.39	379.21	7.88	-95.51
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000518045	0	42	-2.0	-109.04	368.20	6.96	-102.08
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000518046	0	42	-2.0	-98.00	371.56	7.62	-90.38
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000518047	1	42	-2.0	-99.99	363.03	7.10	-92.89
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000518048	0	39	-2.0	-102.15	350.78	6.18	-95.97
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000518049	1	42	-2.0	-103.87	364.92	7.13	-96.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)=C1F	REAL300000518050	0	45	-2.0	-110.88	384.26	7.77	-103.11
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000518051	0	42	-2.0	-100.12	363.97	7.13	-92.99
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000518052	1	42	-2.0	-98.05	371.00	7.47	-90.58
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000518053	1	42	-2.0	-101.81	369.33	7.16	-94.65
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000518054	0	43	-2.0	-110.94	368.21	4.78	-106.16
CC(C)(C)C(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000518054	1	43	-2.0	-110.40	367.23	5.64	-104.76
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000518055	1	45	-2.0	-103.14	380.69	7.84	-95.30
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(C)(C)C)=C1	REAL300000518056	1	45	-2.0	-110.13	368.24	7.69	-102.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000518057	1	45	-2.0	-111.71	383.33	7.71	-104.00
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)=CC(C(=O)[O-])=C1C	REAL300000518059	1	48	-2.0	-116.22	391.33	8.12	-108.10
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000518060	0	42	-2.0	-101.26	370.26	7.19	-94.07
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000518062	0	45	-2.0	-111.83	383.59	7.76	-104.07
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)=C1	REAL300000518063	0	45	-2.0	-119.19	383.54	7.75	-111.44
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000518064	1	48	-2.0	-114.95	392.45	8.25	-106.70
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000518065	0	46	-2.0	-112.75	386.64	7.27	-105.48
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000518066	1	45	-2.0	-100.65	374.48	7.60	-93.05
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(C)(C)C)=C1	REAL300000518067	1	45	-2.0	-110.31	378.04	7.90	-102.41
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000518068	0	42	-2.0	-118.40	362.17	7.10	-111.30
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000518069	1	45	-2.0	-105.84	383.82	7.74	-98.10
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000518070	0	41	-2.0	-108.81	355.49	5.12	-103.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)C(C)(C)C)=C1	REAL300000518071	0	46	-2.0	-104.72	386.70	6.87	-97.85
CC(C)(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000518072	0	39	-2.0	-100.24	358.66	6.04	-94.20
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)C(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000518073	0	45	-2.0	-105.68	380.63	7.05	-98.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=CC=C1F	REAL300000518074	1	34	-2.0	-110.05	332.23	6.38	-103.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1	REAL300000518075	1	34	-2.0	-99.94	327.67	6.36	-93.58
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C1	REAL300000518076	0	34	-2.0	-112.93	327.70	6.35	-106.58
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CS1	REAL300000518077	0	38	-2.0	-117.63	355.84	6.15	-111.48
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1	REAL300000518078	0	38	-2.0	-98.37	359.15	7.65	-90.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1C(=O)[O-]	REAL300000518079	1	37	-2.0	-115.52	347.76	7.00	-108.52
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C1	REAL300000518080	0	34	-2.0	-107.54	340.77	6.92	-100.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=CC=C1Cl	REAL300000518081	0	34	-2.0	-108.59	340.20	6.75	-101.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C1C	REAL300000518082	0	40	-2.0	-114.70	360.09	7.66	-107.04
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C1	REAL300000518083	0	34	-2.0	-110.20	333.16	6.42	-103.78
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1	REAL300000518084	0	40	-2.0	-97.82	371.26	7.93	-89.89
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C1	REAL300000518085	0	31	-2.0	-107.24	320.88	5.37	-101.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CS1	REAL300000518086	0	37	-2.0	-112.66	343.13	7.14	-105.52
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1	REAL300000518087	1	38	-2.0	-97.10	358.76	6.63	-90.47
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1C(=O)[O-]	REAL300000518088	0	35	-2.0	-111.02	334.34	5.71	-105.31
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CS1	REAL300000518089	1	38	-2.0	-113.17	351.48	5.18	-107.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C1	REAL300000518090	0	34	-2.0	-103.25	336.80	6.04	-97.21
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1C(=O)[O-]	REAL300000518091	1	40	-2.0	-114.01	359.14	7.67	-106.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=CS1	REAL300000518092	0	31	-2.0	-108.45	319.34	5.39	-103.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1C(=O)[O-]	REAL300000518093	1	38	-2.0	-118.67	354.98	6.42	-112.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CS1	REAL300000518094	0	40	-2.0	-109.63	353.02	8.44	-101.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C(C(=O)[O-])O1	REAL300000518095	0	34	-2.0	-106.01	330.70	5.49	-100.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C1	REAL300000518096	0	38	-2.0	-113.91	356.61	5.44	-108.47
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CS1	REAL300000518097	0	37	-2.0	-103.41	348.40	7.17	-96.24
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C(C(=O)[O-])S1	REAL300000518098	0	34	-2.0	-109.07	337.39	6.24	-102.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C(Cl)=C1	REAL300000518099	0	34	-2.0	-96.82	340.75	6.91	-89.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1F	REAL300000518100	0	34	-2.0	-99.32	332.23	6.39	-92.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)S1	REAL300000518101	0	31	-2.0	-101.96	319.95	5.48	-96.48
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C1	REAL300000518102	0	34	-2.0	-103.82	334.10	6.42	-97.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C1F	REAL300000518103	0	37	-2.0	-111.88	353.45	7.06	-104.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C(F)=C1	REAL300000518104	0	34	-2.0	-99.68	333.16	6.42	-93.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1Cl	REAL300000518105	0	34	-2.0	-97.35	340.20	6.76	-90.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=CC(F)=C1F	REAL300000518106	0	34	-2.0	-101.61	338.51	6.45	-95.16
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C1	REAL300000518107	0	35	-2.0	-111.23	337.41	4.07	-107.16
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1	REAL300000518108	0	37	-2.0	-103.24	349.86	7.13	-96.11
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CS1	REAL300000518109	0	37	-2.0	-108.71	337.73	6.98	-101.73
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=CC(C(=O)[O-])=C1F	REAL300000518110	1	37	-2.0	-111.57	352.54	7.00	-104.57
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CS1	REAL300000518111	1	37	-2.0	-99.37	343.10	7.13	-92.24
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=CC(C(=O)[O-])=C1C	REAL300000518112	1	40	-2.0	-117.55	365.19	7.54	-110.01
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C1	REAL300000518113	0	34	-2.0	-101.98	339.43	6.48	-95.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C(C)=C1C(=O)[O-]	REAL300000518114	1	40	-2.0	-113.20	361.23	7.76	-105.44
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1C(=O)[O-]	REAL300000518115	0	37	-2.0	-112.63	353.01	7.05	-105.58
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C1	REAL300000518116	0	37	-2.0	-118.28	352.73	7.04	-111.24
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1C(=O)[O-]	REAL300000518117	1	40	-2.0	-114.96	362.02	7.54	-107.42
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1C(=O)[O-]	REAL300000518118	0	38	-2.0	-112.41	355.72	6.56	-105.85
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=CC=C1C(=O)[O-]	REAL300000518119	1	37	-2.0	-100.14	343.70	6.90	-93.24
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CS1	REAL300000518120	1	37	-2.0	-109.99	347.22	7.18	-102.81
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C1F	REAL300000518121	0	34	-2.0	-117.18	331.33	6.38	-110.80
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C1C(=O)[O-]	REAL300000518122	0	37	-2.0	-105.70	352.65	7.03	-98.67
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C1	REAL300000518123	0	33	-2.0	-109.54	324.68	4.41	-105.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NC=CS1	REAL300000518124	0	38	-2.0	-103.78	355.90	6.15	-97.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)=C(Cl)O1	REAL300000518125	0	31	-2.0	-100.35	327.80	5.33	-95.02
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NC=CS2)C=C(C(=O)[O-])O1	REAL300000518126	0	37	-2.0	-104.67	345.84	6.65	-98.02
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1F	REAL300000518159	0	34	-2.0	-109.66	328.06	6.42	-103.24
CC1=CC=C(F)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1F	REAL300000518187	0	32	-2.0	-111.03	295.58	3.69	-107.34
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000518224	0	40	-2.0	-111.40	358.27	2.14	-109.26
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000518225	0	40	-2.0	-101.77	353.74	2.12	-99.65
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000518226	0	40	-2.0	-113.54	353.74	2.11	-111.43
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000518227	0	44	-2.0	-117.06	381.92	1.92	-115.14
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000518228	0	44	-2.0	-100.70	385.21	3.40	-97.30
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000518229	0	43	-2.0	-114.83	369.79	2.65	-112.18
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000518230	0	40	-2.0	-107.80	366.83	2.67	-105.13
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000518231	0	40	-2.0	-109.59	366.25	2.50	-107.09
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000518232	0	46	-2.0	-114.10	386.92	3.43	-110.67
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000518233	0	40	-2.0	-109.32	359.23	2.17	-107.15
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000518234	0	46	-2.0	-99.55	397.32	3.70	-95.85
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000518235	0	37	-2.0	-108.17	347.00	1.14	-107.03
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000518236	0	43	-2.0	-112.52	368.78	2.84	-109.68
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000518237	0	44	-2.0	-99.58	384.82	2.39	-97.19
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000518238	0	41	-2.0	-112.61	360.46	1.46	-111.15
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000518239	0	44	-2.0	-113.04	378.02	0.92	-112.12
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000518240	0	40	-2.0	-104.44	362.88	1.79	-102.65
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000518241	0	46	-2.0	-113.33	385.24	3.41	-109.92
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000518242	0	37	-2.0	-109.64	345.47	1.15	-108.49
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000518243	0	44	-2.0	-119.54	381.04	2.18	-117.36
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)[C@H]1OCC[C@H]1COC	REAL300000518244	0	46	-2.0	-109.88	383.93	3.63	-106.25
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000518245	0	47	-2.0	-116.52	398.00	3.99	-112.53
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000518246	0	40	-2.0	-106.52	356.86	1.25	-105.27
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000518247	0	44	-2.0	-115.07	382.74	1.20	-113.87
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000518248	0	43	-2.0	-103.65	374.53	2.92	-100.73
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000518249	0	40	-2.0	-109.14	363.46	1.98	-107.16
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000518250	0	40	-2.0	-99.38	366.81	2.66	-96.72
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000518251	0	40	-2.0	-101.39	358.27	2.15	-99.24
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000518252	0	37	-2.0	-103.27	346.07	1.24	-102.03
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000518253	0	40	-2.0	-104.77	360.15	2.18	-102.59
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000518254	0	43	-2.0	-110.85	379.51	2.81	-108.04
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000518255	0	40	-2.0	-101.36	359.22	2.18	-99.18
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000518256	0	40	-2.0	-99.41	366.24	2.51	-96.90
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000518257	0	40	-2.0	-103.19	364.55	2.20	-100.99
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000518258	0	41	-2.0	-110.25	363.51	-0.15	-110.40
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000518258	1	40	-3.0	-210.40	359.91	0.71	-209.69
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000518259	0	43	-2.0	-103.64	375.92	2.89	-100.75
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000518260	0	43	-2.0	-111.47	363.89	2.74	-108.73
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000518261	0	43	-2.0	-112.78	378.57	2.76	-110.02
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000518262	0	43	-2.0	-101.37	369.17	2.86	-98.51
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000518263	0	46	-2.0	-116.67	386.60	3.18	-113.49
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000518264	0	40	-2.0	-101.79	365.57	2.24	-99.55
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000518265	0	46	-2.0	-115.79	387.78	3.43	-112.36
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000518266	0	43	-2.0	-110.41	375.28	2.71	-107.70
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000518267	0	43	-2.0	-120.41	378.79	2.80	-117.61
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)[C@H]2OCC[C@H]2COC)C=C1C(=O)[O-]	REAL300000518268	0	46	-2.0	-115.34	387.99	3.30	-112.04
CCN1C=C(S(=O)(=O)[N-]NC(=O)[C@H]2OCC[C@H]2COC)C=C1C(=O)[O-]	REAL300000518269	0	44	-2.0	-113.81	381.75	2.33	-111.48
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000518270	0	43	-2.0	-103.41	373.56	2.74	-100.67
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000518271	0	43	-2.0	-109.93	373.77	2.92	-107.01
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000518272	0	40	-2.0	-119.61	357.43	2.14	-117.47
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000518273	0	43	-2.0	-105.50	374.90	2.68	-102.82
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000518274	0	39	-2.0	-111.24	350.03	0.24	-111.00
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000518275	0	44	-2.0	-105.57	381.96	1.92	-103.65
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000518276	0	37	-2.0	-101.26	353.97	1.09	-100.17
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000518277	0	47	-2.0	-107.11	399.90	4.00	-103.11
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000518278	0	47	-2.0	-101.43	398.29	3.98	-97.45
CCC1=C(S(=O)(=O)[N-]NC(=O)[C@H]2OCC[C@H]2COC)C=C(C(=O)[O-])O1	REAL300000518279	0	43	-2.0	-105.92	375.90	2.03	-103.89
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=CC=C1F	REAL300000518280	0	35	-2.0	-109.46	337.90	2.63	-106.83
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=CC=C1F	REAL300000518280	1	35	-2.0	-116.56	339.71	2.62	-113.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1	REAL300000518281	0	35	-2.0	-99.89	333.34	2.61	-97.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1	REAL300000518281	1	35	-2.0	-106.62	335.15	2.60	-104.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1	REAL300000518282	0	35	-2.0	-111.59	333.37	2.60	-108.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=C1	REAL300000518282	1	35	-2.0	-119.03	335.18	2.59	-116.44
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=C2C=CC=CC2=NN1	REAL300000518283	0	39	-2.0	-115.21	361.51	2.41	-112.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC2=CC=CC=C21	REAL300000518283	1	39	-2.0	-123.01	363.32	2.40	-120.61
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1	REAL300000518284	0	39	-2.0	-98.95	364.82	3.90	-95.05
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1	REAL300000518284	1	39	-2.0	-105.70	366.63	3.88	-101.82
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1C(=O)[O-]	REAL300000518285	0	38	-2.0	-114.14	353.44	3.25	-110.89
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000518285	1	38	-2.0	-121.72	355.25	3.23	-118.49
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1	REAL300000518286	0	35	-2.0	-106.04	346.44	3.16	-102.88
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=C1	REAL300000518286	1	35	-2.0	-113.39	348.25	3.15	-110.24
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=CC=C1Cl	REAL300000518287	0	35	-2.0	-107.60	345.87	2.99	-104.61
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=CC=C1Cl	REAL300000518287	1	35	-2.0	-114.85	347.68	2.98	-111.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1C	REAL300000518288	0	41	-2.0	-112.42	365.76	3.90	-108.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=C1C	REAL300000518288	1	41	-2.0	-120.08	367.85	3.85	-116.23
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1	REAL300000518289	0	35	-2.0	-107.53	338.84	2.66	-104.87
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=C1	REAL300000518289	1	35	-2.0	-115.04	340.65	2.65	-112.39
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1	REAL300000518290	0	41	-2.0	-97.83	376.93	4.19	-93.64
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1	REAL300000518290	1	41	-2.0	-104.72	378.74	4.18	-100.54
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1	REAL300000518291	0	32	-2.0	-106.12	326.55	1.63	-104.49
O=C([O-])C1=CSC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=C1	REAL300000518291	1	32	-2.0	-113.21	328.36	1.61	-111.60
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=C2C=CC=CC2=NN1	REAL300000518292	0	38	-2.0	-110.66	348.80	3.38	-107.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC2=CC=CC=C21	REAL300000518292	1	38	-2.0	-117.98	350.61	3.36	-114.62
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1	REAL300000518293	0	39	-2.0	-97.72	364.43	2.89	-94.83
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1	REAL300000518293	1	39	-2.0	-104.54	366.25	2.87	-101.67
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1C(=O)[O-]	REAL300000518294	0	36	-2.0	-110.33	340.02	1.95	-108.38
CN1C=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000518294	1	36	-2.0	-117.76	341.82	1.94	-115.82
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=C2C=CC=CC2=NN1	REAL300000518295	0	39	-2.0	-111.37	357.58	1.41	-109.96
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1	REAL300000518296	0	35	-2.0	-102.40	342.49	2.29	-100.11
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=C1	REAL300000518296	1	35	-2.0	-109.34	344.29	2.27	-107.07
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1C(=O)[O-]	REAL300000518297	0	41	-2.0	-112.05	364.43	3.87	-108.18
CC1=CC(C)=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000518297	1	41	-2.0	-119.51	366.24	3.85	-115.66
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=CS1	REAL300000518298	0	32	-2.0	-107.53	325.02	1.64	-105.89
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=CS1	REAL300000518298	1	32	-2.0	-114.77	326.83	1.62	-113.15
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1C(=O)[O-]	REAL300000518299	0	39	-2.0	-117.53	360.64	2.67	-114.86
COC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000518299	1	39	-2.0	-124.99	362.45	2.66	-122.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=C2C=CC=CC2=NN1	REAL300000518300	0	41	-2.0	-108.44	363.50	4.11	-104.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC2=CC=CC=C21	REAL300000518300	1	41	-2.0	-115.68	365.35	4.10	-111.58
CC1=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C(C(=O)[O-])O1	REAL300000518301	0	35	-2.0	-104.76	336.37	1.75	-103.01
CC1=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000518301	1	35	-2.0	-111.51	338.19	1.73	-109.78
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1	REAL300000518302	0	39	-2.0	-114.73	362.27	1.70	-113.03
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=C1	REAL300000518302	1	39	-2.0	-122.39	364.08	1.69	-120.70
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=C2C=CC=CC2=NN1	REAL300000518303	0	38	-2.0	-101.95	354.07	3.40	-98.55
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC2=CC=CC=C21	REAL300000518303	1	38	-2.0	-108.91	355.88	3.39	-105.52
CC1=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C(C(=O)[O-])S1	REAL300000518304	0	35	-2.0	-107.56	341.97	2.50	-105.06
CC1=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300000518304	1	35	-2.0	-114.62	343.80	2.49	-112.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C(Cl)=C1	REAL300000518305	0	35	-2.0	-97.55	346.41	3.15	-94.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C(Cl)=C1	REAL300000518305	1	35	-2.0	-104.25	348.22	3.14	-101.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1F	REAL300000518306	0	35	-2.0	-99.59	337.88	2.64	-96.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1F	REAL300000518306	1	35	-2.0	-106.10	339.70	2.63	-103.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)S1	REAL300000518307	0	32	-2.0	-101.27	325.64	1.73	-99.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)S1	REAL300000518307	1	32	-2.0	-108.13	327.44	1.72	-106.41
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1	REAL300000518308	0	35	-2.0	-102.76	339.77	2.67	-100.09
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=C1	REAL300000518308	1	35	-2.0	-109.86	341.58	2.65	-107.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1F	REAL300000518309	0	38	-2.0	-108.82	359.13	3.31	-105.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=C1F	REAL300000518309	1	38	-2.0	-116.42	360.94	3.29	-113.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C(F)=C1	REAL300000518310	0	35	-2.0	-99.28	338.85	2.67	-96.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C(F)=C1	REAL300000518310	1	35	-2.0	-106.16	340.66	2.66	-103.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1Cl	REAL300000518311	0	35	-2.0	-97.46	345.87	3.00	-94.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1Cl	REAL300000518311	1	35	-2.0	-104.14	347.67	2.99	-101.15
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=CC(F)=C1F	REAL300000518312	0	35	-2.0	-101.31	344.20	2.69	-98.62
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=CC(F)=C1F	REAL300000518312	1	35	-2.0	-108.04	345.99	2.68	-105.36
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1	REAL300000518313	0	36	-2.0	-108.73	343.08	0.33	-108.40
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1	REAL300000518313	1	35	-3.0	-207.68	339.52	1.20	-206.48
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1	REAL300000518314	0	38	-2.0	-101.81	355.53	3.39	-98.42
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1	REAL300000518314	1	38	-2.0	-108.88	357.34	3.37	-105.51
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=C2C=CC=CC2=NN1	REAL300000518315	0	38	-2.0	-109.34	343.44	3.22	-106.12
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]NC(=O)C1=NNC2=CC=CC=C21	REAL300000518315	1	38	-2.0	-116.71	344.72	3.19	-113.52
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=CC(C(=O)[O-])=C1F	REAL300000518316	0	38	-2.0	-110.66	358.22	3.25	-107.41
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=CC(C(=O)[O-])=C1F	REAL300000518316	1	38	-2.0	-117.92	360.01	3.24	-114.68
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=C2C=CC=CC2=NN1	REAL300000518317	0	38	-2.0	-99.73	348.78	3.37	-96.36
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=NNC2=CC=CC=C21	REAL300000518317	1	38	-2.0	-106.36	350.59	3.35	-103.01
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=CC(C(=O)[O-])=C1C	REAL300000518318	0	41	-2.0	-116.04	370.17	3.77	-112.27
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000518318	1	41	-2.0	-123.73	371.98	3.76	-119.97
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1	REAL300000518319	0	35	-2.0	-99.86	345.12	2.73	-97.13
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=C1	REAL300000518319	1	35	-2.0	-107.03	346.93	2.71	-104.32
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C(C)=C1C(=O)[O-]	REAL300000518320	0	41	-2.0	-113.70	366.76	3.93	-109.77
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C(C)=C1C(=O)[O-]	REAL300000518320	1	41	-2.0	-121.20	368.57	3.92	-117.28
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1C(=O)[O-]	REAL300000518321	0	38	-2.0	-108.49	354.84	3.20	-105.29
CC1=CC(F)=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000518321	1	38	-2.0	-116.14	356.65	3.19	-112.95
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1	REAL300000518322	0	38	-2.0	-117.90	358.38	3.29	-114.61
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=C1	REAL300000518322	1	38	-2.0	-125.68	360.19	3.28	-122.40
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1C(=O)[O-]	REAL300000518323	0	41	-2.0	-113.24	367.60	3.79	-109.45
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000518323	1	41	-2.0	-120.98	369.11	3.77	-117.21
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1C(=O)[O-]	REAL300000518324	0	39	-2.0	-111.64	361.40	2.82	-108.82
CCN1C=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000518324	1	39	-2.0	-119.08	363.20	2.81	-116.27
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=CC=C1C(=O)[O-]	REAL300000518325	0	38	-2.0	-99.95	349.37	3.15	-96.80
CC1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000518325	1	38	-2.0	-106.75	351.18	3.13	-103.62
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=C2C=CC=CC2=NN1	REAL300000518326	0	38	-2.0	-108.35	353.32	3.41	-104.94
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)C1=NNC2=CC=CC=C21	REAL300000518326	1	38	-2.0	-115.33	355.13	3.40	-111.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1F	REAL300000518327	0	35	-2.0	-117.12	337.03	2.64	-114.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=C1F	REAL300000518327	1	35	-2.0	-124.85	338.84	2.62	-122.23
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C1C(=O)[O-]	REAL300000518328	0	38	-2.0	-104.62	358.31	3.28	-101.34
CC1=C(F)C=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000518328	1	38	-2.0	-111.87	360.11	3.27	-108.60
O=C([O-])C1=CC=NC(S(=O)(=O)[N-][N-]C(=O)C2=NNC3=CC=CC=C32)=C1	REAL300000518329	0	33	-3.0	-230.26	328.68	-0.10	-230.36
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C1	REAL300000518329	1	34	-2.0	-109.08	329.58	0.74	-108.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=C2C=CC=CC2=NN1	REAL300000518330	0	39	-2.0	-103.56	361.57	2.41	-101.15
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]NC(=O)C1=NNC2=CC=CC=C21	REAL300000518330	1	39	-2.0	-110.70	363.38	2.40	-108.30
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)=C(Cl)O1	REAL300000518331	0	32	-2.0	-99.36	333.50	1.58	-97.78
O=C([O-])C1=CC(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)=C(Cl)O1	REAL300000518331	1	32	-2.0	-106.08	335.32	1.56	-104.52
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=C3C=CC=CC3=NN2)C=C(C(=O)[O-])O1	REAL300000518332	0	38	-2.0	-104.18	355.49	2.53	-101.65
CCC1=C(S(=O)(=O)[N-]NC(=O)C2=NNC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000518332	1	38	-2.0	-111.02	357.33	2.52	-108.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518335	1	33	-2.0	-112.89	312.86	5.13	-107.76
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC(=O)C2=C1	REAL300000518336	0	37	-2.0	-116.91	341.00	4.93	-111.98
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C=C1	REAL300000518337	1	37	-2.0	-100.01	344.32	6.43	-93.58
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518339	0	33	-2.0	-107.43	325.93	5.70	-101.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=CC=C1Cl	REAL300000518340	1	33	-2.0	-108.73	325.38	5.52	-103.21
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518342	0	33	-2.0	-109.10	318.34	5.19	-103.91
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C=C1	REAL300000518343	1	39	-2.0	-99.60	356.44	6.72	-92.88
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518344	0	30	-2.0	-107.26	306.04	4.14	-103.12
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518347	1	34	-2.0	-111.41	319.51	4.48	-106.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518349	0	33	-2.0	-103.51	321.98	4.82	-98.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=CS1	REAL300000518351	0	30	-2.0	-108.67	304.51	4.16	-104.51
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518353	1	43	-2.0	-116.05	368.10	7.76	-108.29
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC(=O)C2=C1	REAL300000518354	1	42	-2.0	-114.25	366.76	7.13	-107.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC(=O)C2=C1	REAL300000518355	1	39	-2.0	-110.24	342.98	6.86	-103.38
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC(=O)C2=C1	REAL300000518356	0	40	-2.0	-115.93	363.29	5.70	-110.23
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518357	0	36	-2.0	-115.51	343.74	5.70	-109.81
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518357	1	35	-3.0	-189.34	341.26	5.69	-183.65
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518358	1	40	-2.0	-116.39	357.10	7.03	-109.36
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000518359	0	33	-2.0	-106.08	315.87	4.28	-101.80
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518360	0	37	-2.0	-114.42	341.85	4.22	-110.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C(Cl)C=C1F	REAL300000518361	0	33	-2.0	-104.26	330.45	5.72	-98.54
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC(=O)C2=C1	REAL300000518363	1	36	-2.0	-103.29	333.57	5.95	-97.34
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C=C1F	REAL300000518364	1	37	-2.0	-98.29	350.17	5.48	-92.81
CC1=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000518366	1	33	-2.0	-108.87	322.55	5.01	-103.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C(Cl)=C1	REAL300000518367	0	33	-2.0	-98.43	325.91	5.69	-92.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C=C1F	REAL300000518368	1	33	-2.0	-100.41	317.38	5.17	-95.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)S1	REAL300000518369	0	30	-2.0	-102.35	305.13	4.26	-98.09
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518370	1	33	-2.0	-103.89	319.26	5.20	-98.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1F	REAL300000518371	0	36	-2.0	-110.53	338.63	5.83	-104.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C(F)=C1	REAL300000518372	0	33	-2.0	-100.41	318.32	5.20	-95.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C=C1Cl	REAL300000518373	1	33	-2.0	-98.36	325.36	5.53	-92.83
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC(=O)C2=C1	REAL300000518374	1	36	-2.0	-104.87	342.30	6.33	-98.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=CC(F)=C1F	REAL300000518375	1	33	-2.0	-102.23	323.68	5.22	-97.01
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518376	1	35	-2.0	-98.13	341.06	5.80	-92.33
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518377	0	34	-2.0	-110.72	322.57	2.84	-107.88
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518377	1	34	-2.0	-109.48	311.60	3.72	-105.76
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C=C1	REAL300000518378	1	36	-2.0	-106.02	335.04	5.92	-100.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=CC(Cl)=C1F	REAL300000518379	1	33	-2.0	-103.56	333.57	5.66	-97.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=CC=C1[N+](=O)[O-]	REAL300000518384	0	35	-2.0	-111.63	339.44	6.22	-105.41
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518385	0	33	-2.0	-101.21	324.62	5.26	-95.95
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518387	0	36	-2.0	-111.40	338.18	5.83	-105.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1Cl	REAL300000518388	0	36	-2.0	-109.18	344.60	6.27	-102.91
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518389	0	36	-2.0	-119.19	337.90	5.82	-113.37
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2OC=CC(=O)C2=C1	REAL300000518392	1	36	-2.0	-103.31	339.12	6.32	-96.99
CC1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000518393	1	36	-2.0	-110.59	344.10	6.09	-104.50
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518394	1	37	-2.0	-112.68	340.89	5.34	-107.34
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518395	1	36	-2.0	-107.55	346.60	6.20	-101.35
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1[N+](=O)[O-]	REAL300000518398	0	35	-2.0	-121.75	336.58	6.98	-114.77
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1F	REAL300000518399	0	33	-2.0	-118.44	316.52	5.17	-113.27
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518400	1	36	-2.0	-105.79	337.80	5.81	-99.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=CC2=CC=CC=C21	REAL300000518401	1	39	-2.0	-121.19	353.90	7.25	-113.94
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C1	REAL300000518402	0	32	-2.0	-108.42	309.84	3.18	-105.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OC=CC(=O)C2=C1	REAL300000518403	0	37	-2.0	-104.76	341.06	4.93	-99.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)=C(Cl)O1	REAL300000518404	0	30	-2.0	-100.44	313.01	4.11	-96.33
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4OC=CC(=O)C4=C3)C=C2)CC1	REAL300000518405	1	40	-2.0	-106.47	358.99	7.02	-99.45
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4OC=CC(=O)C4=C3)C=C2C1	REAL300000518406	1	40	-2.0	-112.13	358.33	7.02	-105.11
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OC=CC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000518407	0	36	-2.0	-105.62	334.99	5.13	-100.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)=CC=C1F	REAL300000518408	1	28	-2.0	-97.74	297.91	5.73	-92.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)C=C1	REAL300000518409	1	28	-2.0	-86.92	293.36	5.71	-81.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)=C1	REAL300000518410	1	28	-2.0	-100.01	293.38	5.70	-94.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000518411	1	31	-2.0	-101.01	309.40	6.23	-94.78
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)=C1	REAL300000518412	0	28	-2.0	-97.37	298.86	5.76	-91.61
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)=C1	REAL300000518413	0	25	-2.0	-93.36	286.56	4.71	-88.65
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Br)=C1	REAL300000518414	1	31	-2.0	-99.67	308.81	6.47	-93.20
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000518415	0	29	-2.0	-97.31	300.03	5.05	-92.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)=C1	REAL300000518416	0	28	-2.0	-90.63	302.49	5.38	-85.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)=CS1	REAL300000518417	0	25	-2.0	-95.91	285.03	4.74	-91.17
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)C=C(C(=O)[O-])O1	REAL300000518418	0	28	-2.0	-93.27	296.39	4.84	-88.43
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)C=C(C(=O)[O-])S1	REAL300000518419	0	28	-2.0	-96.34	303.08	5.58	-90.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)C=C1F	REAL300000518420	1	28	-2.0	-87.65	297.91	5.74	-81.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)S1	REAL300000518421	0	25	-2.0	-89.51	285.65	4.83	-84.68
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)=C1	REAL300000518422	0	28	-2.0	-89.94	299.78	5.76	-84.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)C(F)=C1	REAL300000518423	0	28	-2.0	-86.18	298.84	5.77	-80.41
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)=C1	REAL300000518424	0	29	-2.0	-98.80	303.09	3.41	-95.39
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=CC(Br)=C2)=C1	REAL300000518424	1	29	-2.0	-100.57	302.29	4.20	-96.37
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)C=C1	REAL300000518425	1	31	-2.0	-91.63	315.55	6.48	-85.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(Br)=C1	REAL300000518426	1	31	-2.0	-95.09	303.42	6.34	-88.75
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(Br)=C1	REAL300000518427	1	31	-2.0	-87.32	308.79	6.47	-80.85
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)C=C1C(=O)[O-]	REAL300000518428	0	32	-2.0	-99.68	321.40	5.92	-93.76
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)=CC=C1C(=O)[O-]	REAL300000518429	1	31	-2.0	-86.96	309.39	6.24	-80.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)=C1F	REAL300000518430	0	28	-2.0	-102.90	297.04	5.73	-97.17
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)=C1	REAL300000518431	0	27	-2.0	-96.40	289.60	3.83	-92.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)=C(Cl)O1	REAL300000518432	0	25	-2.0	-87.18	293.53	4.67	-82.51
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(Br)=C2)C=C(C(=O)[O-])O1	REAL300000518433	0	31	-2.0	-94.55	315.51	5.69	-88.86
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000518434	1	38	-2.0	-104.40	350.46	6.73	-97.67
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300000518435	1	38	-2.0	-94.85	345.91	6.71	-88.14
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000518436	1	38	-2.0	-106.56	345.92	6.70	-99.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300000518437	0	42	-2.0	-110.69	374.07	6.50	-104.19
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C21	REAL300000518438	1	42	-2.0	-94.26	377.38	8.00	-86.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)C=C1C(=O)[O-]	REAL300000518439	1	41	-2.0	-109.09	365.99	7.35	-101.74
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C21	REAL300000518440	0	38	-2.0	-101.35	359.00	7.27	-94.08
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000518441	1	38	-2.0	-102.55	358.43	7.09	-95.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)=C1C	REAL300000518442	1	44	-2.0	-108.27	378.60	8.06	-100.21
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C21	REAL300000518443	0	38	-2.0	-102.85	351.40	6.77	-96.08
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300000518444	1	44	-2.0	-93.01	389.49	8.29	-84.72
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000518445	0	35	-2.0	-101.13	339.11	5.73	-95.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300000518446	1	41	-2.0	-106.23	361.36	7.49	-98.74
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=CC=C21	REAL300000518447	1	42	-2.0	-92.91	376.99	6.99	-85.92
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)C=C1C(=O)[O-]	REAL300000518448	0	39	-2.0	-105.19	352.56	6.07	-99.12
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)=C1	REAL300000518450	0	38	-2.0	-97.41	355.04	6.39	-91.02
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)C=C1C(=O)[O-]	REAL300000518451	1	44	-2.0	-107.68	376.99	8.05	-99.63
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000518452	0	35	-2.0	-102.53	337.57	5.74	-96.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)C=C1C(=O)[O-]	REAL300000518453	1	42	-2.0	-112.47	373.20	6.77	-105.70
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300000518454	1	44	-2.0	-104.49	376.05	8.43	-96.06
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)C=C(C(=O)[O-])O1	REAL300000518455	0	38	-2.0	-100.21	348.93	5.85	-94.36
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)=C1	REAL300000518456	0	42	-2.0	-108.11	374.91	5.79	-102.32
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300000518457	1	41	-2.0	-97.39	366.63	7.53	-89.86
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)C=C(C(=O)[O-])S1	REAL300000518458	0	38	-2.0	-103.08	354.53	6.59	-96.49
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C21	REAL300000518459	0	38	-2.0	-92.54	358.98	7.26	-85.28
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000518460	1	38	-2.0	-94.50	350.46	6.74	-87.76
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000518461	0	35	-2.0	-96.36	338.20	5.83	-90.53
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000518462	1	38	-2.0	-97.73	352.33	6.77	-90.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)=C1F	REAL300000518463	0	41	-2.0	-104.20	371.67	7.40	-96.80
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300000518464	0	38	-2.0	-94.28	351.39	6.77	-87.51
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000518465	1	38	-2.0	-92.51	358.43	7.09	-85.42
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000518466	1	38	-2.0	-96.22	356.75	6.79	-89.43
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C21	REAL300000518467	0	39	-2.0	-104.77	355.64	4.41	-100.36
CC1(C)OC(=O)C2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C21	REAL300000518467	1	39	-2.0	-104.94	344.67	5.30	-99.64
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C21	REAL300000518468	1	41	-2.0	-97.08	368.09	7.49	-89.59
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300000518469	1	41	-2.0	-103.92	355.99	7.34	-96.58
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)=CC(C(=O)[O-])=C1F	REAL300000518470	1	41	-2.0	-105.73	370.76	7.35	-98.38
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300000518471	1	41	-2.0	-94.88	361.34	7.48	-87.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)=CC(C(=O)[O-])=C1C	REAL300000518472	1	44	-2.0	-110.75	383.42	7.89	-102.86
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C21	REAL300000518473	0	38	-2.0	-94.97	357.69	6.83	-88.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)C(C)=C1C(=O)[O-]	REAL300000518474	1	44	-2.0	-108.14	380.40	8.09	-100.05
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)C=C1C(=O)[O-]	REAL300000518475	0	41	-2.0	-103.83	367.40	7.30	-96.53
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)=C1	REAL300000518476	0	41	-2.0	-112.59	370.94	7.39	-105.20
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)C=C1C(=O)[O-]	REAL300000518477	1	44	-2.0	-108.29	379.86	7.89	-100.40
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)C=C1C(=O)[O-]	REAL300000518478	0	42	-2.0	-106.46	373.94	6.93	-99.53
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)=CC=C1C(=O)[O-]	REAL300000518479	1	41	-2.0	-94.94	361.93	7.25	-87.69
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300000518480	1	41	-2.0	-103.93	365.88	7.52	-96.41
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000518481	0	38	-2.0	-111.84	349.54	6.73	-105.11
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)C=C1C(=O)[O-]	REAL300000518482	1	41	-2.0	-99.53	370.86	7.38	-92.15
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000518483	0	37	-2.0	-104.19	342.14	4.84	-99.35
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300000518484	0	42	-2.0	-98.71	374.13	6.51	-92.20
CC1(C)OC(=O)C2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C21	REAL300000518485	0	35	-2.0	-94.53	346.07	5.68	-88.85
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(=O)OC3(C)C)C=C(C(=O)[O-])O1	REAL300000518486	0	41	-2.0	-99.86	368.05	6.70	-93.16
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)=C1	REAL300000518489	1	37	-2.0	-107.99	347.16	5.14	-102.85
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)=C1	REAL300000518493	0	37	-2.0	-105.26	352.70	5.21	-100.05
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)C=C1	REAL300000518494	1	43	-2.0	-94.70	390.78	6.74	-87.96
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)=C1	REAL300000518495	0	34	-2.0	-102.23	340.40	4.16	-98.07
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)C=C1C(=O)[O-]	REAL300000518497	1	38	-2.0	-106.47	353.80	4.50	-101.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)=C1	REAL300000518498	0	37	-2.0	-98.59	356.35	4.83	-93.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)=CS1	REAL300000518500	1	34	-2.0	-103.68	338.87	4.18	-99.50
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000518502	0	37	-2.0	-101.96	350.23	4.28	-97.68
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000518503	1	37	-2.0	-105.46	355.82	5.04	-100.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)C=C1F	REAL300000518504	1	37	-2.0	-95.39	351.68	5.19	-90.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)S1	REAL300000518505	0	34	-2.0	-97.40	339.49	4.28	-93.12
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)=C1	REAL300000518506	1	37	-2.0	-98.91	353.55	5.21	-93.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)C(F)=C1	REAL300000518507	0	37	-2.0	-95.20	352.61	5.22	-89.98
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)=C1	REAL300000518508	0	38	-2.0	-107.99	356.93	2.86	-105.13
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC3=CC=NC=N3)C=C2)=C1	REAL300000518508	1	38	-2.0	-107.01	355.85	3.73	-103.28
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)C=C1	REAL300000518509	1	40	-2.0	-99.21	369.38	5.93	-93.28
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)C=C1C(=O)[O-]	REAL300000518515	1	41	-2.0	-107.69	375.17	5.38	-102.31
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)=C1F	REAL300000518517	0	37	-2.0	-112.30	350.83	5.17	-107.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)=C1	REAL300000518518	0	36	-2.0	-105.74	343.43	3.26	-102.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)=C(Cl)O1	REAL300000518519	0	34	-2.0	-95.92	347.37	4.12	-91.80
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000518520	0	40	-2.0	-101.93	369.35	5.13	-96.80
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000518521	0	38	-2.0	-130.66	350.97	3.52	-127.14
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000518522	0	38	-2.0	-118.38	346.41	3.50	-114.88
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000518523	0	38	-2.0	-134.09	346.44	3.49	-130.60
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N=S(C)(C)=O	REAL300000518524	0	42	-2.0	-140.98	374.58	3.28	-137.70
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000518525	0	42	-2.0	-117.14	377.87	4.78	-112.36
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)C=C1C(=O)[O-]	REAL300000518526	0	41	-2.0	-135.48	362.47	4.01	-131.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)=C1C	REAL300000518527	0	44	-2.0	-137.57	379.54	4.81	-132.76
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000518528	0	38	-2.0	-129.72	351.92	3.55	-126.17
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000518529	0	44	-2.0	-117.32	389.99	5.05	-112.27
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000518530	0	35	-2.0	-127.16	339.62	2.50	-124.66
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N=S(C)(C)=O	REAL300000518531	0	41	-2.0	-135.48	361.87	4.26	-131.22
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000518532	0	42	-2.0	-116.04	377.49	3.77	-112.27
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)C=C1C(=O)[O-]	REAL300000518533	0	39	-2.0	-129.24	353.11	2.83	-126.41
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N=S(C)(C)=O	REAL300000518534	0	42	-2.0	-132.57	370.24	2.31	-130.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)=C1	REAL300000518535	0	38	-2.0	-121.08	355.57	3.17	-117.91
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)C=C1C(=O)[O-]	REAL300000518536	0	44	-2.0	-133.38	377.89	4.80	-128.58
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000518537	0	35	-2.0	-126.05	338.10	2.51	-123.54
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)C=C1C(=O)[O-]	REAL300000518538	0	42	-2.0	-136.11	373.75	3.56	-132.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1N=S(C)(C)=O	REAL300000518539	0	44	-2.0	-128.85	376.58	5.20	-123.65
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)C=C(C(=O)[O-])O1	REAL300000518540	0	38	-2.0	-124.29	349.45	2.62	-121.67
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)=C1	REAL300000518541	0	42	-2.0	-130.40	375.41	2.58	-127.82
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)C=C(C(=O)[O-])S1	REAL300000518542	0	38	-2.0	-131.15	355.06	3.37	-127.78
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000518543	0	38	-2.0	-117.50	350.98	3.52	-113.98
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000518544	0	35	-2.0	-120.92	338.72	2.61	-118.31
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000518545	0	38	-2.0	-123.77	352.84	3.55	-120.22
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000518546	0	38	-2.0	-118.27	351.90	3.55	-114.72
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000518547	0	39	-2.0	-131.38	356.17	1.19	-130.19
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000518548	0	41	-2.0	-123.49	368.60	4.24	-119.25
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N=S(C)(C)=O	REAL300000518549	0	41	-2.0	-125.17	356.46	4.13	-121.04
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N=S(C)(C)=O	REAL300000518550	0	41	-2.0	-117.56	361.87	4.26	-113.30
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)=CC(C(=O)[O-])=C1C	REAL300000518551	0	44	-2.0	-137.64	379.31	4.56	-133.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)C(C)=C1C(=O)[O-]	REAL300000518552	0	44	-2.0	-129.37	379.96	4.88	-124.49
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)C=C1C(=O)[O-]	REAL300000518553	0	44	-2.0	-136.27	380.42	4.67	-131.60
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)C=C1C(=O)[O-]	REAL300000518554	0	42	-2.0	-130.52	374.47	3.69	-126.83
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)=CC=C1C(=O)[O-]	REAL300000518555	0	41	-2.0	-120.08	366.49	4.13	-115.95
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000518556	0	38	-2.0	-133.05	350.06	3.50	-129.55
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000518557	0	37	-2.0	-131.36	342.65	1.59	-129.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1N=S(C)(C)=O	REAL300000518558	0	42	-2.0	-122.88	374.64	3.28	-119.60
CS(C)(=O)=NC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000518559	0	35	-2.0	-118.22	346.54	2.47	-115.75
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2N=S(C)(C)=O)C=C(C(=O)[O-])O1	REAL300000518560	0	41	-2.0	-126.51	368.54	3.47	-123.04
CC1CC2=CC(Cl)=CC=C2N1S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000518584	0	38	-2.0	-109.13	354.05	8.86	-100.27
CC1CC2=CC(Cl)=CC=C2N1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000518602	0	36	-2.0	-107.66	327.15	6.80	-100.86
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)C=C1	REAL300000518627	1	36	-2.0	-86.97	333.19	0.73	-86.24
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1	REAL300000518629	0	37	-2.0	-104.64	336.35	3.23	-101.41
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1	REAL300000518630	1	29	-2.0	-101.01	293.15	2.85	-98.16
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1	REAL300000518631	0	33	-2.0	-111.18	304.88	1.94	-109.24
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1	REAL300000518635	0	29	-2.0	-101.59	289.80	2.72	-98.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C(Cl)C=C1Cl	REAL300000518637	0	29	-2.0	-97.16	302.30	3.09	-94.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1	REAL300000518639	0	29	-2.0	-103.17	282.21	2.21	-100.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C(Br)S1	REAL300000518644	0	26	-2.0	-97.10	286.91	1.93	-95.17
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1F	REAL300000518646	0	29	-2.0	-101.01	301.63	2.79	-98.22
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1	REAL300000518647	0	29	-2.0	-96.14	285.87	1.83	-94.31
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1	REAL300000518654	0	36	-2.0	-111.56	327.17	2.71	-108.85
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(O)C=C2)=C1	REAL300000518655	0	32	-2.0	-110.07	307.83	2.66	-107.41
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1	REAL300000518658	0	33	-2.0	-106.58	305.70	1.23	-105.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=CC(Cl)=C1Cl	REAL300000518660	1	29	-2.0	-94.98	304.41	3.00	-91.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C(Cl)C=C1F	REAL300000518661	1	29	-2.0	-98.37	294.32	2.73	-95.64
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1	REAL300000518665	1	32	-2.0	-97.33	297.44	2.96	-94.37
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)C=C(C(=O)[O-])S1	REAL300000518670	1	29	-2.0	-103.48	285.33	2.04	-101.44
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1	REAL300000518671	0	29	-2.0	-95.32	304.96	3.16	-92.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)C(Cl)=C1	REAL300000518672	1	29	-2.0	-90.72	289.79	2.71	-88.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)C(Br)=C1	REAL300000518673	1	29	-2.0	-90.25	293.14	2.84	-87.41
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1	REAL300000518675	1	29	-2.0	-96.70	283.14	2.21	-94.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1F	REAL300000518676	0	32	-2.0	-103.92	302.49	2.85	-101.07
COC1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000518677	0	33	-2.0	-95.26	317.04	2.76	-92.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)C(F)=C1	REAL300000518678	0	29	-2.0	-92.54	282.20	2.22	-90.32
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)C=C1	REAL300000518682	1	37	-2.0	-89.83	340.47	3.56	-86.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=CC(F)=C1F	REAL300000518684	1	29	-2.0	-94.49	287.55	2.24	-92.25
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1	REAL300000518685	1	31	-2.0	-90.30	304.93	2.82	-87.48
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1	REAL300000518686	0	30	-2.0	-105.77	286.45	-0.14	-105.91
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(O)C=C2)=C1	REAL300000518686	1	30	-2.0	-105.83	285.64	0.65	-105.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=CC=C1[N+](=O)[O-]	REAL300000518695	1	31	-2.0	-103.57	303.31	3.22	-100.35
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1	REAL300000518696	0	29	-2.0	-94.66	288.48	2.27	-92.39
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)S1	REAL300000518697	0	26	-2.0	-92.78	289.31	1.83	-90.95
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)C=C1C(=O)[O-]	REAL300000518699	0	32	-2.0	-103.99	298.21	2.75	-101.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1Cl	REAL300000518700	0	32	-2.0	-102.63	308.50	3.28	-99.35
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1	REAL300000518701	0	32	-2.0	-110.26	301.75	2.84	-107.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C(Br)C=C1F	REAL300000518703	1	29	-2.0	-97.88	297.67	2.88	-95.00
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1	REAL300000518708	1	29	-2.0	-98.58	298.02	2.76	-95.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1Br	REAL300000518709	1	32	-2.0	-102.21	311.31	3.41	-98.80
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)C=C1C(=O)[O-]	REAL300000518710	1	33	-2.0	-105.25	304.76	2.37	-102.88
O=C([O-])C1=CC(F)=C(Br)C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1	REAL300000518712	0	29	-2.0	-93.33	298.84	2.90	-90.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C(F)C(Cl)=C1F	REAL300000518713	0	29	-2.0	-93.48	302.32	2.70	-90.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)C(OC(F)(F)F)=C1	REAL300000518714	0	33	-2.0	-92.08	321.44	2.43	-89.65
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)C=C(C(=O)[O-])S1	REAL300000518716	1	38	-2.0	-103.07	326.17	4.27	-98.80
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)C=C1C(=O)[O-]	REAL300000518717	1	33	-2.0	-106.92	317.06	2.78	-104.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)C([N+](=O)[O-])=C1	REAL300000518719	0	34	-2.0	-97.56	317.46	4.31	-93.25
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1[N+](=O)[O-]	REAL300000518721	0	31	-2.0	-111.91	300.48	4.00	-107.91
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1F	REAL300000518722	0	29	-2.0	-109.11	280.39	2.18	-106.93
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C=C1	REAL300000518725	0	33	-2.0	-97.33	304.94	1.94	-95.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C(Cl)O1	REAL300000518726	0	26	-2.0	-93.58	276.88	1.12	-92.46
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C=C2)=C1	REAL300000518728	0	32	-2.0	-96.47	320.08	-0.82	-97.29
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C=C2)C=C(C(=O)[O-])O1	REAL300000518731	0	32	-2.0	-99.76	298.86	2.13	-97.63
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000518732	0	36	-2.0	-116.70	336.21	3.37	-113.33
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2C1=O	REAL300000518733	0	36	-2.0	-106.34	331.66	3.35	-102.99
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2C1=O	REAL300000518734	0	36	-2.0	-118.77	331.68	3.34	-115.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)C(=O)C2=C1	REAL300000518735	0	40	-2.0	-123.92	359.82	3.16	-120.76
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2C1=O	REAL300000518736	0	40	-2.0	-106.06	363.13	4.64	-101.42
CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518737	0	39	-2.0	-121.36	351.75	3.99	-117.37
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2C1=O	REAL300000518738	0	36	-2.0	-114.08	344.75	3.91	-110.17
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000518739	0	36	-2.0	-115.11	344.19	3.74	-111.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)=C1C	REAL300000518740	0	42	-2.0	-120.97	364.79	4.68	-116.29
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2C1=O	REAL300000518741	0	36	-2.0	-115.69	337.16	3.41	-112.28
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2C1=O	REAL300000518742	0	42	-2.0	-105.11	375.25	4.93	-100.18
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2C1=O	REAL300000518743	0	33	-2.0	-112.92	324.87	2.37	-110.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)C(=O)C2=C1	REAL300000518744	0	39	-2.0	-119.22	347.12	4.14	-115.08
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2C1=O	REAL300000518745	0	40	-2.0	-104.71	362.75	3.63	-101.08
CN1C=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518746	0	37	-2.0	-117.27	338.30	2.68	-114.59
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)C(=O)C2=C1	REAL300000518747	0	40	-2.0	-119.65	355.89	2.16	-117.49
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)=C1	REAL300000518748	0	36	-2.0	-109.34	340.80	3.03	-106.31
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518749	0	42	-2.0	-120.40	363.12	4.66	-115.74
CN1CCN2N=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2C1=O	REAL300000518750	0	33	-2.0	-114.88	323.33	2.37	-112.51
COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518751	0	40	-2.0	-125.26	358.96	3.41	-121.85
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)C(=O)C2=C1	REAL300000518752	0	45	-2.0	-121.29	385.58	5.35	-115.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)C(=O)C2=C1	REAL300000518753	0	42	-2.0	-117.37	361.80	5.07	-112.30
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)C(=O)C2=C1	REAL300000518754	0	43	-2.0	-125.24	382.11	3.91	-121.33
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C2C1=O	REAL300000518755	0	38	-3.0	-194.57	360.09	3.91	-190.66
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2C1=O	REAL300000518756	0	43	-2.0	-123.22	375.93	5.23	-117.99
CC1=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000518757	0	36	-2.0	-112.11	334.69	2.49	-109.62
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)=C1	REAL300000518758	0	40	-2.0	-120.64	360.67	2.44	-118.20
CC1=CC(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)=CC=C1OCC(=O)[O-]	REAL300000518759	0	43	-2.0	-105.12	382.80	4.32	-100.80
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)C(=O)C2=C1	REAL300000518760	0	39	-2.0	-109.65	352.39	4.16	-105.49
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=C2C1=O	REAL300000518761	0	40	-2.0	-104.12	368.98	3.69	-100.43
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518762	0	43	-2.0	-125.35	380.82	4.32	-121.03
CC1=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000518763	0	36	-2.0	-115.58	340.31	3.24	-112.34
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2C1=O	REAL300000518764	0	36	-2.0	-104.04	344.73	3.90	-100.14
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2C1=O	REAL300000518765	0	36	-2.0	-105.71	336.19	3.37	-102.34
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2C1=O	REAL300000518766	0	33	-2.0	-108.05	323.93	2.47	-105.58
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2C1=O	REAL300000518767	0	36	-2.0	-109.98	338.09	3.41	-106.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)=C1F	REAL300000518768	0	39	-2.0	-117.13	357.43	4.04	-113.09
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2C1=O	REAL300000518769	0	36	-2.0	-105.93	337.14	3.42	-102.51
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2C1=O	REAL300000518770	0	36	-2.0	-103.88	344.16	3.73	-100.15
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)C(=O)C2=C1	REAL300000518771	0	39	-2.0	-111.38	361.12	4.55	-106.83
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000518772	0	36	-2.0	-107.57	342.50	3.44	-104.13
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C2C1=O	REAL300000518773	0	38	-2.0	-103.57	359.87	4.01	-99.56
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2C1=O	REAL300000518774	0	37	-2.0	-117.79	341.39	1.07	-116.72
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2C1=O	REAL300000518775	0	39	-2.0	-109.60	353.85	4.13	-105.47
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN2CCN(C)C(=O)C2=C1	REAL300000518776	0	39	-2.0	-115.85	341.75	3.98	-111.87
CC1=CC(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000518777	0	39	-2.0	-117.49	356.50	3.98	-113.51
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN2CCN(C)C(=O)C2=C1	REAL300000518778	0	39	-2.0	-106.44	347.10	4.12	-102.32
CC1=CC(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000518779	0	42	-2.0	-123.87	368.48	4.51	-119.36
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=C2C1=O	REAL300000518780	0	38	-2.0	-117.39	358.21	4.43	-112.96
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2C1=O	REAL300000518781	0	36	-2.0	-107.37	343.42	3.47	-103.90
CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000518782	0	42	-2.0	-120.12	366.16	4.73	-115.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518783	0	39	-2.0	-116.86	353.16	3.94	-112.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)=C1Cl	REAL300000518784	0	39	-2.0	-115.84	363.46	4.47	-111.37
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)=C1	REAL300000518785	0	39	-2.0	-124.77	356.72	4.04	-120.73
CCC1=CC=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518786	0	42	-2.0	-121.27	365.92	4.53	-116.74
COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C=C1CC(=O)[O-]	REAL300000518787	0	43	-2.0	-120.40	382.15	3.48	-116.92
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN2CCN(C)C(=O)C2=C1	REAL300000518788	0	39	-2.0	-108.79	358.47	4.49	-104.30
CC1=CC(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000518789	0	39	-2.0	-116.32	362.89	4.29	-112.03
CCN1C=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518790	0	40	-2.0	-118.53	359.70	3.57	-114.96
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518791	0	39	-2.0	-112.05	361.54	4.31	-107.74
CC1=CC(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000518792	0	39	-2.0	-106.48	347.66	3.87	-102.61
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCN(C)C(=O)C2=C1	REAL300000518793	0	39	-2.0	-116.39	351.64	4.17	-112.22
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=C2C1=O	REAL300000518794	0	38	-2.0	-127.25	355.38	5.19	-122.06
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2C1=O	REAL300000518795	0	36	-2.0	-123.99	335.32	3.37	-120.62
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000518796	0	39	-2.0	-110.29	352.84	3.92	-106.37
CN1CCN2N=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2C1=O	REAL300000518797	0	35	-2.0	-116.49	327.90	1.47	-115.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN2CCN(C)C(=O)C2=C1	REAL300000518798	0	40	-2.0	-110.77	359.88	3.15	-107.62
CN1CCN2N=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2C1=O	REAL300000518799	0	33	-2.0	-106.16	331.79	2.32	-103.84
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2C1=O	REAL300000518800	0	43	-2.0	-112.66	377.81	5.23	-107.43
CN1CCN2N=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2C1=O	REAL300000518801	0	43	-2.0	-117.37	377.12	5.23	-112.14
CCC1=C(S(=O)(=O)[N-]C2=NN3CCN(C)C(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000518802	0	39	-2.0	-111.87	353.80	3.34	-108.53
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=CC=C1F	REAL300000518803	0	36	-2.0	-131.31	351.22	3.66	-127.65
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C=C1	REAL300000518804	0	36	-2.0	-105.78	347.27	3.63	-102.15
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=C1	REAL300000518805	0	36	-2.0	-122.91	342.84	3.73	-119.18
CC1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C=C1C(=O)[O-]	REAL300000518806	0	39	-2.0	-129.84	362.92	4.15	-125.69
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=C1	REAL300000518807	0	35	-3.0	-168.83	346.25	3.80	-165.03
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=C1	REAL300000518807	1	36	-2.0	-109.41	348.91	3.77	-105.64
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=C1	REAL300000518808	0	32	-3.0	-164.51	333.96	2.76	-161.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C(F)=C1	REAL300000518809	0	39	-2.0	-121.48	355.81	4.08	-117.40
CN1C=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C=C1C(=O)[O-]	REAL300000518810	0	37	-2.0	-125.46	353.50	2.99	-122.47
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C=C1C(=O)[O-]	REAL300000518810	1	36	-3.0	-167.46	346.87	3.11	-164.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=C1	REAL300000518811	0	35	-3.0	-161.44	349.89	3.43	-158.01
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=CS1	REAL300000518812	0	33	-2.0	-103.61	338.45	2.66	-100.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=CS1	REAL300000518812	1	32	-3.0	-163.29	331.87	2.78	-160.51
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000518813	0	35	-3.0	-164.20	343.78	2.88	-161.32
CC1=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000518813	1	36	-2.0	-114.32	346.73	2.83	-111.49
CC1=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000518814	0	36	-2.0	-117.21	352.29	3.64	-113.57
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C=C(C(=O)[O-])S1	REAL300000518814	1	35	-3.0	-168.45	349.37	3.64	-164.81
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C=C1F	REAL300000518815	0	36	-2.0	-110.46	351.21	3.67	-106.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)S1	REAL300000518816	0	32	-3.0	-160.23	333.04	2.87	-157.36
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=C1	REAL300000518817	0	36	-2.0	-121.47	353.34	3.69	-117.78
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=C1	REAL300000518817	1	35	-3.0	-160.31	346.62	3.82	-156.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C(F)=C1	REAL300000518818	0	35	-3.0	-157.85	346.24	3.81	-154.04
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C(F)=C1	REAL300000518818	1	36	-2.0	-100.16	348.98	3.78	-96.38
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=C1	REAL300000518819	0	36	-3.0	-171.98	350.49	1.44	-170.54
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=C1	REAL300000518819	1	37	-2.0	-118.27	353.14	1.45	-116.82
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C=C1	REAL300000518820	0	39	-2.0	-102.93	369.46	4.41	-98.52
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C(F)=C1	REAL300000518821	0	39	-2.0	-108.00	350.27	3.97	-104.03
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C(F)=C1	REAL300000518822	0	39	-2.0	-113.44	355.68	4.09	-109.35
CCN1C=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C=C1C(=O)[O-]	REAL300000518823	0	40	-2.0	-126.63	374.86	3.85	-122.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C=C1C(=O)[O-]	REAL300000518823	1	39	-3.0	-168.85	368.24	3.96	-164.89
CC1=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000518824	0	39	-2.0	-112.23	358.83	4.29	-107.94
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=C1F	REAL300000518825	0	35	-3.0	-177.11	344.43	3.78	-173.33
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=C1F	REAL300000518825	1	36	-2.0	-104.17	347.07	3.74	-100.43
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)=C1	REAL300000518826	0	34	-3.0	-169.06	337.76	1.79	-167.27
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000518827	0	38	-3.0	-164.39	362.91	3.73	-160.66
CCC1=C(S(=O)(=O)NC2=CC=C(N3C=CC(=O)[N-]3)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000518827	1	39	-2.0	-118.40	365.58	3.17	-115.23
COC1=CN=C(Br)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000518830	1	28	-2.0	-99.27	303.96	2.10	-97.17
COC1=CN=C(Br)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000518832	1	28	-2.0	-100.71	302.43	2.09	-98.62
COC1=CN=C(Br)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000518834	1	28	-2.0	-94.43	303.03	2.19	-92.24
COC1=CN=C(Br)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000518835	1	30	-2.0	-101.46	307.76	1.12	-100.34
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000518836	0	38	-2.0	-105.03	355.72	3.63	-101.40
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000518837	0	38	-2.0	-96.13	351.16	3.61	-92.52
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000518838	0	38	-2.0	-107.56	351.19	3.60	-103.96
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000518839	0	42	-2.0	-113.33	379.33	3.39	-109.94
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000518840	0	42	-2.0	-95.93	382.63	4.90	-91.03
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000518841	0	41	-2.0	-108.61	367.21	4.13	-104.48
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000518842	0	44	-2.0	-110.43	384.29	4.92	-105.51
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000518843	0	38	-2.0	-105.37	356.66	3.66	-101.71
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000518844	0	44	-2.0	-95.01	394.75	5.20	-89.81
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000518845	0	35	-2.0	-102.16	344.37	2.61	-99.55
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000518846	0	41	-2.0	-108.61	366.62	4.38	-104.23
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000518847	0	42	-2.0	-94.48	382.25	3.89	-90.59
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000518848	0	39	-2.0	-106.13	357.82	2.95	-103.18
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000518849	0	42	-2.0	-111.27	374.98	2.43	-108.84
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000518850	0	38	-2.0	-99.29	360.32	3.28	-96.01
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000518851	0	44	-2.0	-109.85	382.63	4.92	-104.93
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000518852	0	35	-2.0	-103.48	342.83	2.63	-100.85
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000518853	0	42	-2.0	-113.29	378.47	3.66	-109.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)OC)=CC(C)=C1O	REAL300000518854	0	44	-2.0	-109.03	381.32	5.32	-103.71
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000518855	0	38	-2.0	-101.92	354.20	2.73	-99.19
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000518856	0	42	-2.0	-108.62	380.18	2.68	-105.94
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000518857	0	41	-2.0	-101.00	371.90	4.42	-96.58
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000518858	0	38	-2.0	-105.22	359.81	3.49	-101.73
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000518859	0	38	-2.0	-93.72	364.24	4.17	-89.55
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000518860	0	38	-2.0	-95.76	355.70	3.64	-92.12
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000518861	0	35	-2.0	-98.03	343.44	2.73	-95.30
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000518862	0	38	-2.0	-100.04	357.59	3.66	-96.38
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000518863	0	41	-2.0	-106.80	376.93	4.29	-102.51
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000518864	0	38	-2.0	-95.70	356.65	3.67	-92.03
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000518865	0	38	-2.0	-93.79	363.67	4.00	-89.79
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000518866	0	39	-2.0	-109.45	360.91	1.31	-108.14
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000518867	0	41	-2.0	-99.81	373.35	4.39	-95.42
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000518868	0	41	-2.0	-103.48	361.23	4.25	-99.23
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000518869	0	41	-2.0	-108.16	376.02	4.25	-103.91
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000518870	0	41	-2.0	-96.63	366.60	4.38	-92.25
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000518871	0	44	-2.0	-110.53	384.06	4.66	-105.87
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000518872	0	44	-2.0	-108.15	384.72	5.01	-103.14
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000518873	0	41	-2.0	-106.45	372.66	4.20	-102.25
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000518874	0	41	-2.0	-113.90	376.20	4.29	-109.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000518875	0	44	-2.0	-109.32	385.12	4.78	-104.54
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000518876	0	42	-2.0	-107.34	379.21	3.82	-103.52
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000518877	0	41	-2.0	-96.16	367.20	4.15	-92.01
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000518878	0	41	-2.0	-106.06	371.14	4.41	-101.65
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000518879	0	38	-2.0	-110.92	354.83	3.62	-107.30
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000518880	0	41	-2.0	-99.41	372.35	4.17	-95.24
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000518881	0	37	-2.0	-106.66	347.40	1.72	-104.94
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000518882	0	42	-2.0	-100.18	379.39	3.39	-96.79
COC(=O)C1=CC(C)=C(O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000518883	0	35	-2.0	-96.15	351.29	2.57	-93.58
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=CC(C)=C2O)C=C(C(=O)[O-])O1	REAL300000518884	0	41	-2.0	-103.48	373.31	3.59	-99.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=CC=C1F	REAL300000518885	1	39	-2.0	-106.36	345.73	5.15	-101.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C1	REAL300000518886	1	39	-2.0	-96.72	341.18	5.13	-91.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=CC=C1	REAL300000518887	1	39	-2.0	-108.84	341.16	5.11	-103.73
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)NC2=C1	REAL300000518888	0	43	-2.0	-113.60	369.31	4.92	-108.68
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C1	REAL300000518889	1	43	-2.0	-96.09	372.65	6.42	-89.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000518890	1	42	-2.0	-111.24	361.23	5.77	-105.47
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=C1	REAL300000518891	0	39	-2.0	-103.95	354.23	5.69	-98.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=CC=C1Cl	REAL300000518892	1	39	-2.0	-104.64	353.71	5.51	-99.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=C1C	REAL300000518893	1	45	-2.0	-111.49	373.87	6.46	-105.03
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=C1	REAL300000518894	0	39	-2.0	-105.61	346.64	5.18	-100.43
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C1	REAL300000518895	1	45	-2.0	-95.13	384.73	6.70	-88.43
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=C1	REAL300000518896	0	36	-2.0	-103.23	334.35	4.14	-99.09
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)NC2=C1	REAL300000518897	1	42	-2.0	-109.12	356.59	5.90	-103.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C1	REAL300000518898	1	43	-2.0	-94.77	372.27	5.40	-89.37
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000518899	0	40	-2.0	-107.51	347.84	4.48	-103.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=C1	REAL300000518901	0	39	-2.0	-99.62	350.28	4.80	-94.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=CS1	REAL300000518903	0	36	-2.0	-104.62	332.81	4.15	-100.47
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)NC2=C1	REAL300000518905	1	45	-2.0	-107.31	371.31	6.84	-100.47
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C(C(=O)[O-])O1	REAL300000518906	0	39	-2.0	-102.59	344.17	4.26	-98.33
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=C1	REAL300000518907	0	43	-2.0	-110.31	370.15	4.22	-106.09
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)NC2=C1	REAL300000518908	1	42	-2.0	-99.90	361.88	5.93	-93.97
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C(C(=O)[O-])S1	REAL300000518909	0	39	-2.0	-105.72	349.76	5.01	-100.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C(Cl)=C1	REAL300000518910	0	39	-2.0	-94.28	354.21	5.69	-88.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C1F	REAL300000518911	1	39	-2.0	-96.31	345.71	5.16	-91.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)S1	REAL300000518912	0	36	-2.0	-98.38	333.43	4.24	-94.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=CC(F)=C1	REAL300000518913	1	39	-2.0	-99.78	347.57	5.20	-94.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=C1F	REAL300000518914	0	42	-2.0	-106.98	366.92	5.82	-101.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C(F)=C1	REAL300000518915	0	39	-2.0	-96.24	346.62	5.20	-91.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C1Cl	REAL300000518916	1	39	-2.0	-94.30	353.69	5.52	-88.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=CC(F)=C1F	REAL300000518917	1	39	-2.0	-97.96	352.01	5.21	-92.75
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=C1	REAL300000518918	0	40	-2.0	-107.83	350.88	2.83	-105.00
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CCCC(=O)NC3=C2)=C1	REAL300000518918	1	40	-2.0	-107.02	350.02	3.64	-103.38
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C1	REAL300000518919	1	42	-2.0	-99.57	363.33	5.89	-93.68
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)NC2=C1	REAL300000518920	1	42	-2.0	-105.76	351.23	5.76	-100.00
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=CC(C(=O)[O-])=C1F	REAL300000518921	1	42	-2.0	-107.99	366.02	5.77	-102.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=CC(C(=O)[O-])=C1C	REAL300000518923	1	45	-2.0	-113.29	377.99	6.29	-107.00
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=C1	REAL300000518924	0	39	-2.0	-97.46	352.92	5.25	-92.21
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000518926	0	42	-2.0	-106.68	362.64	5.72	-100.96
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=C1	REAL300000518927	0	42	-2.0	-114.52	366.18	5.81	-108.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000518928	1	45	-2.0	-110.62	375.10	6.31	-104.31
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000518929	0	43	-2.0	-108.57	369.20	5.34	-103.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=CC=C1C(=O)[O-]	REAL300000518930	1	42	-2.0	-96.84	357.17	5.67	-91.17
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)NC2=C1	REAL300000518931	1	42	-2.0	-106.55	361.12	5.94	-100.61
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=CC=C1	REAL300000518932	0	39	-2.0	-113.68	344.78	5.15	-108.53
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000518933	1	42	-2.0	-101.59	366.13	5.80	-95.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=C1	REAL300000518934	0	38	-2.0	-106.54	337.38	3.24	-103.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCCC(=O)NC2=C1	REAL300000518935	0	43	-2.0	-100.81	369.36	4.93	-95.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)=C(Cl)O1	REAL300000518936	0	36	-2.0	-96.79	341.34	4.10	-92.69
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCCC(=O)NC3=C2)C=C(C(=O)[O-])O1	REAL300000518937	0	42	-2.0	-102.30	363.29	5.11	-97.19
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1	REAL300000518938	1	38	-2.0	-89.08	350.14	4.41	-84.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC=C1F	REAL300000518939	1	31	-2.0	-105.71	298.20	5.86	-99.85
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CF)=C1	REAL300000518940	0	39	-2.0	-106.22	353.28	6.92	-99.30
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000518941	0	31	-2.0	-102.25	310.08	6.53	-95.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1	REAL300000518942	1	31	-2.0	-95.34	293.66	5.83	-89.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000518943	1	31	-2.0	-107.44	293.66	5.82	-101.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CF)=C1	REAL300000518944	0	35	-2.0	-112.93	321.80	5.62	-107.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC=C1Br	REAL300000518945	1	31	-2.0	-103.74	309.91	6.31	-97.43
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1	REAL300000518946	1	35	-2.0	-95.09	325.13	7.12	-87.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1C(=O)[O-]	REAL300000518947	1	34	-2.0	-109.61	309.68	6.36	-103.25
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000518948	0	31	-2.0	-102.97	306.73	6.40	-96.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC=C1Cl	REAL300000518949	1	31	-2.0	-104.17	306.18	6.22	-97.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C(Cl)C=C1Cl	REAL300000518950	0	31	-2.0	-98.58	319.23	6.77	-91.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1C	REAL300000518951	1	37	-2.0	-110.37	326.34	7.17	-103.20
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000518952	0	31	-2.0	-104.87	299.14	5.89	-98.98
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1	REAL300000518953	1	37	-2.0	-94.28	337.25	7.41	-86.87
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000518954	0	28	-2.0	-101.99	286.84	4.84	-97.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CF)=C1	REAL300000518955	1	34	-2.0	-108.16	309.09	6.61	-101.55
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CF)=C3)C=C2)C1	REAL300000518957	1	42	-2.0	-90.45	370.50	6.90	-83.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C(Br)S1	REAL300000518958	0	28	-2.0	-98.72	303.87	5.61	-93.11
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1C(=O)[O-]	REAL300000518959	0	32	-2.0	-105.96	300.31	5.17	-100.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000518961	0	31	-2.0	-98.45	302.78	5.51	-92.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CS1	REAL300000518963	0	28	-2.0	-103.38	285.31	4.86	-98.52
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC(C(=O)[O-])=C1OC	REAL300000518964	1	39	-2.0	-108.60	351.97	5.64	-102.96
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000518966	1	41	-2.0	-112.19	348.90	8.45	-103.74
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CF)=C1	REAL300000518967	1	40	-2.0	-110.44	347.57	7.82	-102.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CF)=C1	REAL300000518968	1	37	-2.0	-106.46	323.80	7.54	-98.92
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CF)=C1	REAL300000518969	0	38	-2.0	-112.92	344.09	6.38	-106.54
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(CF)=C2)=C1	REAL300000518970	0	34	-2.0	-107.42	328.78	6.25	-101.17
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000518970	1	33	-3.0	-183.08	322.07	6.39	-176.69
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000518971	1	38	-2.0	-112.51	337.93	7.73	-104.78
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C(C(=O)[O-])O1	REAL300000518972	0	31	-2.0	-101.37	296.67	4.96	-96.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC2=C1OCCO2	REAL300000518973	1	37	-2.0	-112.33	335.84	5.60	-106.73
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000518974	0	35	-2.0	-109.34	322.65	4.91	-104.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC(Cl)=C1Cl	REAL300000518976	1	31	-2.0	-97.00	321.34	6.67	-90.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C(Cl)C=C1F	REAL300000518977	0	31	-2.0	-99.63	311.25	6.42	-93.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1Cl	REAL300000518978	1	35	-2.0	-92.26	340.77	6.64	-85.62
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1F	REAL300000518980	1	41	-2.0	-93.02	373.41	7.07	-85.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CF)=C1	REAL300000518981	1	34	-2.0	-98.80	314.37	6.64	-92.16
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1F	REAL300000518983	1	35	-2.0	-93.26	330.96	6.16	-87.10
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C(C(=O)[O-])S1	REAL300000518985	1	31	-2.0	-104.58	303.35	5.71	-98.87
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000518986	0	31	-2.0	-96.78	321.88	6.84	-89.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C(Cl)=C1	REAL300000518987	0	31	-2.0	-92.79	306.71	6.39	-86.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C(Br)=C1	REAL300000518988	0	31	-2.0	-92.20	310.06	6.52	-85.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1F	REAL300000518989	1	31	-2.0	-94.68	298.19	5.86	-88.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)S1	REAL300000518990	0	28	-2.0	-97.31	285.93	4.95	-92.36
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000518991	1	31	-2.0	-98.30	300.07	5.89	-92.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1F	REAL300000518992	0	34	-2.0	-106.31	319.42	6.52	-99.79
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000518993	0	35	-2.0	-97.49	333.97	6.44	-91.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C(F)=C1	REAL300000518994	0	31	-2.0	-94.83	299.12	5.90	-88.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1Cl	REAL300000518995	1	31	-2.0	-92.83	306.16	6.23	-86.60
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CF)=C1	REAL300000518996	1	34	-2.0	-100.50	323.10	7.02	-93.48
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1	REAL300000518997	1	39	-2.0	-91.86	357.41	7.24	-84.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1Br	REAL300000518998	1	31	-2.0	-92.43	309.90	6.32	-86.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC(F)=C1F	REAL300000518999	1	31	-2.0	-96.42	304.49	5.92	-90.50
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000519000	0	33	-2.0	-92.52	321.86	6.48	-86.04
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000519001	0	32	-2.0	-107.11	303.38	3.54	-103.57
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(CF)=C2)=C1	REAL300000519001	1	32	-2.0	-104.16	302.47	4.41	-99.75
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1	REAL300000519002	1	34	-2.0	-99.03	315.85	6.60	-92.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC(Cl)=C1F	REAL300000519003	1	31	-2.0	-97.86	314.37	6.36	-91.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CF)=C1	REAL300000519004	1	34	-2.0	-104.42	303.73	6.46	-97.96
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC(C(=O)[O-])=C1F	REAL300000519005	1	34	-2.0	-106.14	318.51	6.48	-99.66
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC(C(=O)[O-])=C1C	REAL300000519007	1	37	-2.0	-111.53	326.55	6.88	-104.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC=C1[N+](=O)[O-]	REAL300000519008	0	33	-2.0	-105.57	320.24	6.91	-98.66
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000519009	0	31	-2.0	-96.53	305.41	5.95	-90.58
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)S1	REAL300000519010	0	28	-2.0	-95.04	306.24	5.50	-89.54
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1C(=O)[O-]	REAL300000519012	0	34	-2.0	-107.18	318.98	6.51	-100.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1Cl	REAL300000519013	0	34	-2.0	-104.79	325.42	6.96	-97.83
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000519014	0	34	-2.0	-113.40	318.70	6.52	-106.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1C(=O)[O-]	REAL300000519015	1	37	-2.0	-110.35	327.95	7.00	-103.35
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(CF)=C1	REAL300000519017	1	34	-2.0	-97.57	319.92	7.00	-90.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1C(F)(F)F	REAL300000519018	1	34	-2.0	-91.92	323.78	6.63	-85.29
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000519019	1	34	-2.0	-105.94	324.88	6.79	-99.15
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000519020	1	31	-2.0	-100.17	314.96	6.43	-93.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1C(=O)[O-]	REAL300000519021	0	35	-2.0	-107.22	321.68	6.05	-101.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C(F)C(Cl)=C1F	REAL300000519023	0	31	-2.0	-95.17	319.26	6.38	-88.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C(OC(F)(F)F)=C1	REAL300000519024	0	35	-2.0	-94.46	338.36	6.11	-88.35
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1C(=O)[O-]	REAL300000519025	1	34	-2.0	-101.58	323.54	6.79	-94.79
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C(C(=O)[O-])S1	REAL300000519026	0	40	-2.0	-104.09	343.10	7.96	-96.13
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1C(=O)[O-]	REAL300000519027	0	35	-2.0	-108.49	333.98	6.45	-102.04
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC=C1C(=O)[O-]	REAL300000519028	1	34	-2.0	-95.40	309.67	6.37	-89.03
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C([N+](=O)[O-])=C1	REAL300000519029	0	36	-2.0	-100.93	336.93	8.02	-92.91
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1[N+](=O)[O-]	REAL300000519031	0	33	-2.0	-115.83	317.38	7.68	-108.15
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1F	REAL300000519032	0	31	-2.0	-112.61	297.32	5.86	-106.75
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C1C(=O)[O-]	REAL300000519033	1	34	-2.0	-99.87	314.84	6.39	-93.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC2=CC=CC=C21	REAL300000519034	1	37	-2.0	-116.81	334.70	7.94	-108.87
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000519035	0	30	-2.0	-105.36	289.88	3.96	-101.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CF)=C1	REAL300000519036	0	35	-2.0	-99.58	321.86	5.63	-93.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C(Cl)O1	REAL300000519037	0	28	-2.0	-95.48	293.81	4.81	-90.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=CC=C1OC(F)(F)F	REAL300000519038	1	35	-2.0	-102.64	337.45	6.37	-96.27
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)=C1	REAL300000519039	0	34	-2.0	-99.04	337.00	2.87	-96.17
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CF)=C3)C=C2)CC1	REAL300000519040	1	38	-2.0	-101.78	339.79	7.70	-94.08
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CF)=C3)C=C2C1	REAL300000519041	1	38	-2.0	-105.51	339.13	7.70	-97.81
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CF)=C2)C=C(C(=O)[O-])O1	REAL300000519042	0	34	-2.0	-101.21	315.79	5.81	-95.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1F)CCNC2=O	REAL300000519046	1	40	-2.0	-123.50	355.14	3.43	-120.07
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)CCNC3=O)=C1	REAL300000519049	1	36	-2.0	-113.44	340.07	4.20	-109.24
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)CCNC3=O)=C1	REAL300000519052	1	36	-2.0	-115.45	332.48	3.69	-111.76
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)CCNC3=O)=C1	REAL300000519054	0	33	-2.0	-112.68	320.18	2.67	-110.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)CCNC3=O)=C1	REAL300000519059	1	36	-2.0	-109.20	336.13	3.33	-105.87
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)CCNC3=O)C=C(C(=O)[O-])O1	REAL300000519064	1	36	-2.0	-111.76	330.01	2.79	-108.97
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)CCNC3=O)=C1	REAL300000519065	1	40	-2.0	-121.31	355.93	2.72	-118.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)CCNC3=O)S1	REAL300000519070	1	33	-2.0	-107.87	319.26	2.77	-105.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)CCNC3=O)=C1F	REAL300000519072	1	39	-2.0	-116.96	352.76	4.33	-112.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)CCNC3=O)C(F)=C1	REAL300000519073	1	36	-2.0	-105.61	332.46	3.70	-101.91
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(C=C2F)CCNC3=O)=C1	REAL300000519075	0	37	-2.0	-114.50	335.60	2.11	-112.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)CCNC3=O)C=C1C(=O)[O-]	REAL300000519082	1	39	-2.0	-116.68	348.48	4.24	-112.44
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)CCNC3=O)=C1	REAL300000519083	1	39	-2.0	-125.10	352.01	4.32	-120.78
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=C(F)C=C3CCNC(=O)C3=C2)=CC=C1	REAL300000519088	1	36	-2.0	-124.19	330.64	3.66	-120.53
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)CCNC3=O)=C1	REAL300000519090	0	35	-2.0	-116.93	323.21	1.77	-115.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1F)CCNC2=O	REAL300000519091	1	40	-2.0	-110.30	355.20	3.43	-106.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)CCNC3=O)=C(Cl)O1	REAL300000519092	0	33	-2.0	-105.87	327.10	2.62	-103.25
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)CCNC3=O)C=C(C(=O)[O-])O1	REAL300000519093	1	39	-2.0	-111.43	349.12	3.64	-107.79
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000519094	1	35	-2.0	-101.60	331.41	3.90	-97.70
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000519095	1	35	-2.0	-92.53	326.07	3.86	-88.67
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000519096	1	35	-2.0	-103.93	326.65	3.89	-100.04
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1CO	REAL300000519097	0	39	-2.0	-108.86	355.02	3.63	-105.23
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000519098	1	39	-2.0	-91.56	358.33	5.16	-86.40
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)C=C1C(=O)[O-]	REAL300000519099	1	38	-2.0	-104.86	342.39	4.41	-100.45
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000519100	0	35	-2.0	-99.24	336.22	4.50	-94.74
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000519101	1	35	-2.0	-99.81	339.39	4.26	-95.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)=C1C	REAL300000519102	1	41	-2.0	-107.74	361.33	5.03	-102.71
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000519103	0	35	-2.0	-101.32	332.13	3.94	-97.38
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000519104	1	41	-2.0	-90.89	370.21	5.48	-85.41
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000519105	0	32	-2.0	-99.44	320.05	2.88	-96.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1CO	REAL300000519106	1	38	-2.0	-104.94	340.24	4.56	-100.38
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000519107	1	39	-2.0	-90.57	357.72	4.17	-86.40
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000519108	0	36	-2.0	-103.33	333.51	3.22	-100.11
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1CO	REAL300000519109	1	39	-2.0	-105.12	347.67	2.66	-102.46
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)=C1	REAL300000519110	0	35	-2.0	-95.32	335.98	3.55	-91.77
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)C=C1C(=O)[O-]	REAL300000519111	1	41	-2.0	-105.74	357.12	5.18	-100.56
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000519112	0	32	-2.0	-100.00	318.30	2.93	-97.07
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)C=C1C(=O)[O-]	REAL300000519113	1	39	-2.0	-110.72	354.16	3.94	-106.78
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000519114	1	44	-2.0	-106.12	377.58	5.74	-100.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1CO	REAL300000519115	1	41	-2.0	-103.44	351.15	5.35	-98.09
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1CO	REAL300000519116	0	42	-2.0	-107.54	377.31	4.39	-103.15
CC1=CC=C(Cl)C(CO)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000519117	0	38	-2.0	-111.15	354.69	4.42	-106.73
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000519117	1	37	-3.0	-181.11	354.79	4.41	-176.70
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000519118	1	42	-2.0	-109.30	367.01	5.70	-103.60
CC1=C(S(=O)(=O)[N-]C2=C(CO)C(Cl)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000519119	0	35	-2.0	-99.20	329.66	3.01	-96.19
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)=C1	REAL300000519120	0	39	-2.0	-105.08	355.61	2.99	-102.09
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)=CC=C1OCC(=O)[O-]	REAL300000519121	1	42	-2.0	-90.77	378.03	4.86	-85.91
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000519122	1	38	-2.0	-96.25	345.52	4.59	-91.66
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)C=C1C(=O)[O-]	REAL300000519123	1	42	-2.0	-111.81	375.78	4.86	-106.95
CC1=C(S(=O)(=O)[N-]C2=C(CO)C(Cl)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000519124	0	35	-2.0	-101.67	336.55	3.77	-97.90
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000519125	0	35	-2.0	-89.79	338.12	4.37	-85.42
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000519126	1	35	-2.0	-92.33	330.60	3.89	-88.44
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000519127	0	32	-2.0	-94.90	318.93	3.01	-91.89
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000519128	0	35	-2.0	-95.94	332.79	3.91	-92.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)=C1F	REAL300000519129	0	38	-2.0	-102.76	352.65	4.57	-98.19
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000519130	0	35	-2.0	-91.63	332.33	3.94	-87.69
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000519131	1	35	-2.0	-90.21	338.57	4.25	-85.96
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000519132	1	35	-2.0	-94.91	337.48	3.97	-90.94
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000519133	0	36	-2.0	-103.12	336.59	1.54	-101.58
CC1=CC=C(Cl)C(CO)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000519133	1	36	-2.0	-104.80	324.42	2.49	-102.31
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000519134	1	38	-2.0	-95.67	348.81	4.67	-91.00
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000519135	1	38	-2.0	-101.37	338.62	4.53	-96.84
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)=CC(C(=O)[O-])=C1F	REAL300000519136	1	38	-2.0	-103.54	351.22	4.49	-99.05
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1CO	REAL300000519137	1	38	-2.0	-92.85	338.96	4.62	-88.23
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)=CC(C(=O)[O-])=C1C	REAL300000519138	1	41	-2.0	-107.86	359.21	4.94	-102.92
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000519139	0	35	-2.0	-93.42	338.41	4.01	-89.41
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000519140	1	41	-2.0	-105.86	361.99	5.09	-100.77
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)C=C1C(=O)[O-]	REAL300000519141	0	38	-2.0	-103.57	351.54	4.59	-98.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)=C1	REAL300000519142	0	38	-2.0	-108.84	351.91	4.56	-104.28
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)C=C1C(=O)[O-]	REAL300000519143	1	41	-2.0	-105.67	360.65	5.08	-100.59
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)C=C1CC(=O)[O-]	REAL300000519144	1	42	-2.0	-106.45	377.11	4.02	-102.43
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)C=C1C(=O)[O-]	REAL300000519145	0	39	-2.0	-103.73	354.88	4.08	-99.65
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)=CC=C1C(=O)[O-]	REAL300000519146	1	38	-2.0	-93.11	342.84	4.43	-88.68
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1CO	REAL300000519147	1	38	-2.0	-103.46	348.20	4.51	-98.95
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000519148	0	35	-2.0	-107.84	330.54	3.90	-103.94
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000519149	1	38	-2.0	-98.37	351.74	4.54	-93.83
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000519150	0	34	-2.0	-101.10	323.86	1.92	-99.18
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC(Cl)=C1CO	REAL300000519151	0	39	-2.0	-96.82	354.86	3.69	-93.13
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000519152	0	32	-2.0	-93.06	326.80	2.85	-90.21
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000519153	1	42	-2.0	-98.69	372.79	5.76	-92.93
CC1=CC=C(Cl)C(CO)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000519154	1	42	-2.0	-101.57	370.47	5.72	-95.85
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=CC(Cl)=C2CO)C=C(C(=O)[O-])O1	REAL300000519155	0	38	-2.0	-98.94	344.56	3.76	-95.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)=CC=C1F	REAL300000519156	0	32	-2.0	-96.34	325.23	3.28	-93.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)C=C1	REAL300000519157	0	32	-2.0	-87.73	320.66	3.26	-84.47
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)=C1	REAL300000519158	0	32	-2.0	-100.27	320.69	3.25	-97.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)C=C1C(=O)[O-]	REAL300000519159	0	35	-2.0	-99.37	336.70	3.78	-95.59
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)=C1	REAL300000519160	0	32	-2.0	-97.24	326.17	3.31	-93.93
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)=C1	REAL300000519161	0	29	-2.0	-94.53	313.87	2.26	-92.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(F)(F)F)C=C1O	REAL300000519162	0	35	-2.0	-102.01	336.12	4.03	-97.98
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)C=C1C(=O)[O-]	REAL300000519163	0	33	-2.0	-98.45	327.33	2.59	-95.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)=C1	REAL300000519164	0	32	-2.0	-89.88	329.80	2.93	-86.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)=CS1	REAL300000519165	0	29	-2.0	-96.05	312.34	2.28	-93.77
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)C=C(C(=O)[O-])O1	REAL300000519166	0	32	-2.0	-95.06	323.69	2.38	-92.68
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)C=C(C(=O)[O-])S1	REAL300000519167	0	32	-2.0	-98.31	330.38	3.13	-95.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)C=C1F	REAL300000519168	0	32	-2.0	-87.29	325.21	3.29	-84.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)S1	REAL300000519169	0	29	-2.0	-88.79	312.95	2.38	-86.41
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)=C1	REAL300000519170	0	32	-2.0	-89.88	327.10	3.32	-86.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)C(F)=C1	REAL300000519171	0	32	-2.0	-86.61	326.15	3.32	-83.29
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)=C1	REAL300000519172	0	33	-2.0	-100.96	330.39	0.96	-100.00
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)C=C1	REAL300000519173	0	35	-2.0	-91.29	342.87	4.01	-87.28
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(F)(F)F)C=C1O	REAL300000519174	0	35	-2.0	-94.50	330.72	3.88	-90.62
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(F)(F)F)C=C1O	REAL300000519175	0	35	-2.0	-88.51	336.10	4.02	-84.49
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)C=C1C(=O)[O-]	REAL300000519176	0	36	-2.0	-98.28	348.64	3.45	-94.83
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)=CC=C1C(=O)[O-]	REAL300000519177	0	35	-2.0	-87.81	336.69	3.79	-84.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)=C1F	REAL300000519178	0	32	-2.0	-101.59	324.31	3.27	-98.32
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)=C1	REAL300000519179	0	31	-2.0	-97.27	317.66	1.31	-95.96
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(F)(F)F)C=C2O)C=C(C(=O)[O-])O1	REAL300000519180	0	35	-2.0	-95.21	342.80	3.23	-91.98
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1OC(F)(F)F	REAL300000519181	1	33	-2.0	-83.70	331.73	5.24	-78.46
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1OC(F)(F)F	REAL300000519182	1	33	-2.0	-94.50	331.75	5.23	-89.27
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1OC(F)(F)F	REAL300000519183	0	30	-2.0	-89.46	324.93	4.25	-85.21
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C#N)C(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000519184	0	34	-2.0	-93.23	338.39	4.60	-88.63
N#CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1OC(F)(F)F	REAL300000519185	0	30	-2.0	-90.82	323.39	4.27	-86.55
CC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)C(OC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000519186	0	33	-2.0	-89.50	334.75	4.38	-85.12
N#CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1OC(F)(F)F	REAL300000519187	0	30	-2.0	-84.98	324.02	4.36	-80.62
N#CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1OC(F)(F)F	REAL300000519188	0	32	-2.0	-91.21	328.73	3.29	-87.92
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000519189	1	37	-2.0	-126.55	338.14	4.67	-121.88
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000519191	0	32	-2.0	-135.82	310.73	5.09	-130.73
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000519192	0	31	-2.0	-117.15	314.09	3.45	-113.70
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519193	1	33	-2.0	-123.10	323.06	5.20	-117.90
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519194	1	33	-2.0	-118.61	323.04	5.20	-113.41
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000519195	0	32	-2.0	-124.80	324.45	5.39	-119.41
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000519196	1	42	-2.0	-131.21	364.94	7.30	-123.91
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519197	0	35	-2.0	-101.37	328.86	5.31	-96.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519197	1	34	-3.0	-188.39	330.68	5.38	-183.01
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000519198	1	39	-2.0	-131.36	347.75	6.71	-124.65
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519199	0	34	-2.0	-117.39	317.15	3.73	-113.66
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519200	0	35	-2.0	-115.73	329.02	5.31	-110.42
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519200	1	34	-3.0	-204.51	330.69	5.37	-199.14
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000519201	1	32	-2.0	-116.50	314.92	4.93	-111.57
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519202	1	35	-2.0	-129.50	323.63	5.48	-124.02
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000519204	1	32	-2.0	-124.08	318.95	5.33	-118.75
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519205	1	37	-2.0	-126.32	343.48	5.22	-121.10
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519206	1	38	-2.0	-128.57	339.11	6.25	-122.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1C	REAL300000519207	1	38	-2.0	-130.81	340.64	6.02	-124.79
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000519208	1	32	-2.0	-116.84	324.81	5.38	-111.46
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519209	1	37	-2.0	-138.76	344.99	5.29	-133.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(C)=C1	REAL300000519210	1	38	-2.0	-128.04	339.12	6.25	-121.79
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519211	1	44	-2.0	-128.53	378.44	7.14	-121.39
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519212	1	41	-2.0	-128.24	362.45	6.73	-121.51
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519213	1	44	-2.0	-127.94	380.91	7.39	-120.55
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000519214	0	29	-2.0	-119.47	311.20	4.43	-115.04
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519215	1	41	-2.0	-127.87	366.63	7.03	-120.84
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519216	0	36	-2.0	-135.01	330.48	4.60	-130.41
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000519217	0	32	-2.0	-122.83	320.29	5.00	-117.83
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000519218	0	32	-2.0	-128.21	315.35	5.38	-122.83
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000519219	0	34	-2.0	-124.00	330.44	5.48	-118.52
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000519220	0	29	-2.0	-125.86	294.15	3.81	-122.05
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519221	1	36	-2.0	-125.89	331.73	4.11	-121.78
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000519222	0	34	-2.0	-141.09	320.74	6.18	-134.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519223	1	35	-2.0	-128.81	323.64	5.49	-123.32
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519224	1	39	-2.0	-125.68	353.56	5.04	-120.64
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000519225	0	32	-2.0	-123.75	314.13	4.94	-118.81
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000519226	0	32	-2.0	-124.21	308.63	4.88	-119.33
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000519227	0	32	-2.0	-117.51	315.04	4.95	-112.56
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1C	REAL300000519228	1	44	-2.0	-130.33	366.31	7.56	-122.77
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(C)=C1	REAL300000519229	1	41	-2.0	-129.32	354.06	7.17	-122.15
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000519230	1	32	-2.0	-120.74	318.95	5.33	-115.41
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000519231	0	34	-2.0	-114.40	330.45	5.47	-108.93
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000519232	1	32	-2.0	-128.36	302.22	4.81	-123.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])S1	REAL300000519233	0	32	-2.0	-127.29	316.04	4.61	-122.68
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000519234	0	32	-2.0	-126.50	314.11	4.94	-121.56
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000519235	1	36	-2.0	-121.84	337.96	1.63	-120.21
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519236	1	36	-2.0	-125.99	342.44	5.84	-120.15
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000519237	1	37	-2.0	-123.44	344.24	3.27	-120.17
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519238	0	31	-3.0	-196.96	323.87	4.39	-192.57
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519239	0	38	-2.0	-126.36	338.92	3.84	-122.52
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519240	0	36	-2.0	-126.29	336.74	1.59	-124.70
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519241	1	38	-2.0	-128.24	345.12	6.24	-122.00
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000519242	1	38	-2.0	-132.48	348.16	7.09	-125.39
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519243	1	44	-2.0	-128.13	383.38	7.50	-120.63
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000519244	1	32	-2.0	-119.77	308.62	4.88	-114.89
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000519245	0	32	-2.0	-133.31	307.72	4.88	-128.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(Cl)=C1	REAL300000519246	0	35	-2.0	-128.29	336.77	6.04	-122.25
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519247	1	35	-2.0	-119.03	324.10	5.65	-113.38
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000519248	0	32	-2.0	-119.22	321.75	5.44	-113.78
CN1C=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000519250	0	35	-3.0	-202.35	337.33	4.73	-197.62
CN1C=C(S(=O)(=O)NC2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000519250	1	36	-2.0	-113.50	337.20	4.71	-108.79
CN1C=NC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1Cl	REAL300000519251	0	32	-2.0	-134.61	319.69	4.38	-130.23
CN1C=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1C(N)=O	REAL300000519252	0	37	-2.0	-124.73	344.17	0.98	-123.75
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1F	REAL300000519253	1	36	-2.0	-123.45	337.93	4.19	-119.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1C	REAL300000519254	1	39	-2.0	-127.33	351.78	4.86	-122.47
CN1C=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=N1	REAL300000519255	0	32	-2.0	-123.83	306.77	2.52	-121.31
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519256	1	35	-2.0	-122.64	334.43	6.11	-116.53
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000519257	1	36	-2.0	-132.06	340.58	5.18	-126.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1Cl	REAL300000519258	1	35	-2.0	-125.22	337.68	5.93	-119.29
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000519259	0	32	-2.0	-130.12	323.88	5.38	-124.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1F	REAL300000519260	1	35	-2.0	-125.03	328.95	5.52	-119.51
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519261	1	35	-2.0	-120.02	334.43	6.10	-113.92
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519262	0	35	-2.0	-133.90	329.12	5.54	-128.36
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519263	1	35	-2.0	-122.51	324.11	5.65	-116.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=CS1	REAL300000519264	0	31	-3.0	-198.86	322.33	4.40	-194.46
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(OC(F)F)=CC=C2C(=O)[O-])=CS1	REAL300000519264	1	32	-2.0	-101.22	321.92	4.39	-96.83
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(C)=C1	REAL300000519265	1	39	-2.0	-125.45	347.18	4.88	-120.57
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519266	0	36	-2.0	-132.85	333.33	3.18	-129.67
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000519267	0	29	-2.0	-120.61	283.80	1.21	-119.40
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000519268	0	36	-2.0	-118.55	340.03	5.18	-113.37
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000519269	0	32	-2.0	-124.48	317.14	5.16	-119.32
CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000519270	0	34	-3.0	-191.98	333.69	4.52	-187.46
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000519271	0	35	-2.0	-149.36	330.42	4.01	-145.35
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000519272	0	31	-2.0	-117.56	303.63	3.09	-114.47
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300000519273	0	37	-2.0	-129.66	338.38	5.24	-124.42
CN1C=NC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519274	0	32	-2.0	-139.23	306.40	3.89	-135.34
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(OC(F)F)=CC=C3C(=O)[O-])C=C12	REAL300000519275	0	36	-2.0	-116.62	341.98	1.79	-114.83
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000519276	0	32	-2.0	-131.48	313.99	4.94	-126.54
CC1=NC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=CN1C	REAL300000519277	0	35	-2.0	-141.31	326.77	3.72	-137.59
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=N1	REAL300000519278	0	35	-2.0	-124.25	328.30	3.38	-120.87
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519279	1	39	-2.0	-130.00	357.29	4.53	-125.47
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000519280	1	37	-2.0	-126.00	338.21	4.11	-121.89
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000519281	0	32	-2.0	-121.92	321.76	5.44	-116.48
CC1CC2=CC(S(=O)(=O)[N-]C3=CC(OC(F)F)=CC=C3C(=O)[O-])=CC=C2O1	REAL300000519282	1	40	-2.0	-127.30	359.13	5.41	-121.89
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519283	0	32	-2.0	-121.69	302.63	1.86	-119.83
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519284	1	36	-2.0	-130.43	331.72	4.11	-126.32
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519285	1	35	-2.0	-127.48	317.71	5.59	-121.89
CN1C=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=N1	REAL300000519286	0	32	-2.0	-133.95	307.07	2.35	-131.60
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519287	0	32	-2.0	-119.22	302.46	2.44	-116.78
COCCS(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519288	1	32	-2.0	-119.83	299.11	1.62	-118.21
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)CC1CCCO1	REAL300000519289	1	36	-2.0	-127.84	321.57	3.03	-124.81
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)CC1CCCCO1	REAL300000519290	1	39	-2.0	-126.86	339.07	4.09	-122.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(F)=C1	REAL300000519291	0	35	-2.0	-133.36	329.13	5.55	-127.81
CC1=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=CC=C1F	REAL300000519292	1	35	-2.0	-120.87	328.94	5.51	-115.36
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000519293	0	29	-2.0	-136.77	283.69	2.19	-134.58
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])O1	REAL300000519294	0	35	-2.0	-121.29	341.76	3.60	-117.69
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000519295	0	37	-2.0	-146.02	342.16	5.44	-140.58
CC1=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=CN=C1Cl	REAL300000519296	0	34	-2.0	-118.43	332.87	4.03	-114.40
CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])SC=C1	REAL300000519298	0	32	-2.0	-127.30	310.45	4.63	-122.67
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1C	REAL300000519299	0	41	-2.0	-126.77	360.73	4.71	-122.06
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519300	1	36	-2.0	-121.12	338.48	5.98	-115.14
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519301	1	36	-2.0	-117.95	338.47	5.97	-111.98
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(F)=C1	REAL300000519302	0	33	-2.0	-122.71	328.52	5.27	-117.44
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(OC(F)F)=CC=C3C(=O)[O-])C=C2O1	REAL300000519303	0	37	-2.0	-125.97	345.87	2.47	-123.50
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=N1	REAL300000519304	0	38	-2.0	-124.90	346.98	3.90	-121.00
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000519305	1	37	-2.0	-129.31	343.18	5.20	-124.11
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=CN1	REAL300000519306	0	38	-2.0	-138.85	346.19	3.24	-135.61
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000519308	0	32	-2.0	-110.69	321.22	5.00	-105.69
CC(C)OCCS(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519309	1	38	-2.0	-120.78	341.24	3.33	-117.45
CC1=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=CC(C)=C1F	REAL300000519310	1	38	-2.0	-121.99	349.26	6.15	-115.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])S1	REAL300000519311	0	31	-3.0	-190.59	322.95	4.50	-186.09
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519312	0	41	-2.0	-139.11	366.93	6.05	-133.06
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=CN1	REAL300000519313	0	36	-2.0	-127.17	345.62	3.15	-124.02
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519314	1	35	-2.0	-124.17	322.60	5.63	-118.54
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])S1	REAL300000519315	0	34	-2.0	-124.00	326.49	3.41	-120.59
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519316	1	36	-2.0	-131.42	344.48	5.99	-125.43
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519317	1	38	-2.0	-129.89	345.11	6.24	-123.65
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519318	0	35	-2.0	-124.82	330.04	5.55	-119.27
CC1=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C(F)C=C1F	REAL300000519319	0	35	-2.0	-124.34	334.41	5.57	-118.77
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000519320	0	38	-2.0	-138.03	343.27	7.12	-130.91
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000519321	1	42	-2.0	-132.72	357.53	7.44	-125.28
COC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])SC=C1	REAL300000519322	0	33	-2.0	-133.86	324.39	3.09	-130.77
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000519323	0	35	-2.0	-131.50	331.99	5.20	-126.30
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519324	0	32	-2.0	-116.84	318.27	3.72	-113.12
CN1C=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])N=C1Cl	REAL300000519325	0	32	-2.0	-130.31	322.40	3.64	-126.67
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000519326	0	33	-2.0	-133.85	318.06	3.55	-130.30
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519327	0	33	-2.0	-116.57	324.44	2.65	-113.92
CC1=NC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])S1	REAL300000519328	0	31	-2.0	-123.38	310.75	2.64	-120.74
COCCOCCS(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519329	1	39	-2.0	-123.42	354.59	1.85	-121.57
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1F	REAL300000519330	0	35	-2.0	-126.78	334.43	5.58	-121.20
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1CC	REAL300000519331	1	44	-2.0	-131.12	379.27	7.38	-123.74
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519332	0	38	-2.0	-135.66	347.67	5.20	-130.46
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519333	1	40	-2.0	-138.75	365.31	6.08	-132.67
COCCN1C=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=N1	REAL300000519334	0	39	-2.0	-122.39	361.97	2.42	-119.97
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519336	0	38	-2.0	-138.89	349.71	5.55	-133.34
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1F	REAL300000519337	0	35	-2.0	-135.05	328.03	5.53	-129.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=N1	REAL300000519338	0	38	-2.0	-120.54	351.26	2.44	-118.10
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000519339	0	39	-2.0	-142.93	348.17	4.84	-138.09
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519340	1	39	-2.0	-127.58	357.31	4.55	-123.03
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519341	0	37	-2.0	-127.43	341.49	1.80	-125.63
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1Cl	REAL300000519342	0	35	-2.0	-129.64	334.09	5.96	-123.68
CC1=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C(C)O1	REAL300000519344	0	35	-2.0	-124.50	325.20	4.39	-120.11
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000519345	1	40	-2.0	-128.17	355.92	5.44	-122.73
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519346	0	39	-2.0	-127.25	348.82	4.85	-122.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])O1	REAL300000519347	0	32	-2.0	-127.59	306.82	3.63	-123.96
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519348	0	35	-2.0	-128.79	335.86	5.23	-123.56
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000519349	1	35	-2.0	-123.39	328.26	3.47	-119.92
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000519350	0	32	-2.0	-117.98	325.36	5.40	-112.58
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000519351	0	31	-2.0	-117.83	313.97	3.50	-114.33
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])N=C1C	REAL300000519352	0	38	-2.0	-141.43	347.96	4.60	-136.83
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519353	0	35	-2.0	-128.81	336.77	6.04	-122.77
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519354	0	35	-2.0	-125.62	342.11	3.55	-122.07
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000519355	0	32	-2.0	-131.90	318.28	5.61	-126.29
CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(Cl)=N1	REAL300000519356	0	34	-2.0	-126.75	332.13	4.13	-122.62
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519357	0	37	-2.0	-124.83	351.27	5.00	-119.83
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])S1	REAL300000519358	0	34	-2.0	-123.19	332.24	3.39	-119.80
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000519359	0	35	-2.0	-138.35	330.15	5.12	-133.23
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519361	0	32	-2.0	-120.40	331.21	5.03	-115.37
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000519362	1	35	-2.0	-134.01	336.39	5.74	-128.27
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000519363	0	35	-2.0	-122.01	340.15	3.71	-118.30
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519364	0	36	-2.0	-133.78	338.30	5.88	-127.90
COC1=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=CC=C1F	REAL300000519365	1	36	-2.0	-119.78	337.94	4.19	-115.59
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000519366	0	29	-2.0	-126.01	284.90	2.80	-123.21
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519367	0	31	-2.0	-113.48	296.70	1.22	-112.26
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC(OC(F)F)=CC=C3C(=O)[O-])=CN=C21	REAL300000519368	0	37	-2.0	-121.89	346.57	3.94	-117.95
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000519369	0	31	-2.0	-116.47	323.39	4.57	-111.90
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000519370	0	36	-2.0	-132.78	330.35	4.24	-128.54
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519371	1	38	-2.0	-122.29	327.98	6.33	-115.96
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519373	0	35	-2.0	-124.31	326.80	2.28	-122.03
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519374	1	36	-2.0	-131.78	326.90	6.14	-125.64
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519375	1	36	-2.0	-130.78	344.47	5.98	-124.80
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519376	1	38	-2.0	-120.07	338.75	6.56	-113.51
CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(N)=NO1	REAL300000519377	0	33	-2.0	-117.10	309.76	2.19	-114.91
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519378	1	39	-2.0	-128.91	347.18	4.89	-124.02
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])S1	REAL300000519380	0	30	-2.0	-116.37	314.73	4.36	-112.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=N1	REAL300000519381	0	34	-2.0	-124.89	318.82	3.64	-121.25
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000519382	0	37	-2.0	-128.73	343.41	5.18	-123.55
CC1=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=CC=C1C#N	REAL300000519383	1	36	-2.0	-118.84	342.19	5.70	-113.14
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000519384	0	31	-2.0	-111.65	319.96	3.49	-108.16
COC(C)CS(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519385	1	35	-2.0	-124.57	318.22	2.57	-122.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(F)=C1	REAL300000519386	0	36	-2.0	-130.61	337.21	4.17	-126.44
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300000519387	1	38	-2.0	-127.12	347.95	5.33	-121.79
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000519388	1	35	-2.0	-125.60	336.41	5.75	-119.85
CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])N(C)N=C1	REAL300000519390	0	35	-2.0	-120.42	319.10	3.27	-117.15
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])O1	REAL300000519391	0	30	-2.0	-117.74	306.15	3.35	-114.39
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000519392	0	29	-2.0	-123.54	293.32	3.72	-119.82
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000519393	0	29	-2.0	-123.85	284.75	2.70	-121.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=N1	REAL300000519394	0	35	-2.0	-120.38	329.40	1.50	-118.88
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000519395	0	32	-2.0	-126.84	324.44	5.40	-121.44
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000519396	0	35	-2.0	-130.51	338.78	6.17	-124.34
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000519397	0	35	-2.0	-132.35	328.83	3.44	-128.91
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519398	1	39	-2.0	-130.82	353.57	5.04	-125.78
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000519399	0	29	-2.0	-123.20	310.20	4.26	-118.94
CC1=CSC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519400	0	32	-2.0	-126.19	315.79	4.47	-121.72
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000519401	0	29	-2.0	-121.88	300.50	1.62	-120.26
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000519402	0	31	-2.0	-122.16	309.14	2.93	-119.23
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300000519403	1	40	-2.0	-126.06	362.76	5.78	-120.28
CC1=NSC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519404	0	31	-2.0	-119.37	310.71	3.11	-116.26
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000519406	1	39	-2.0	-128.40	351.45	6.92	-121.48
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000519407	0	29	-2.0	-125.04	300.50	3.85	-121.19
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1F	REAL300000519408	0	33	-2.0	-115.07	328.93	5.25	-109.82
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519410	0	32	-2.0	-153.09	307.58	0.76	-152.33
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000519411	0	29	-2.0	-131.72	283.84	1.39	-130.33
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000519412	0	37	-2.0	-132.47	339.22	1.73	-130.74
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])S1	REAL300000519413	0	35	-2.0	-128.24	331.83	5.42	-122.82
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519414	0	34	-2.0	-117.15	329.78	4.20	-112.95
CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=NN1C	REAL300000519416	0	35	-2.0	-123.18	322.89	3.04	-120.14
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519417	1	36	-2.0	-128.88	333.32	5.90	-122.98
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519418	0	35	-2.0	-125.25	325.61	3.16	-122.09
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000519419	1	37	-2.0	-131.01	338.02	4.66	-126.35
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519420	0	35	-2.0	-127.70	328.78	6.32	-121.38
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000519421	0	37	-2.0	-139.58	338.54	4.61	-134.97
CCC(CS(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-])OC	REAL300000519422	1	38	-2.0	-126.12	332.75	3.74	-122.38
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519423	1	44	-2.0	-127.36	372.70	5.08	-122.28
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)CCOCC1CC1	REAL300000519424	1	39	-2.0	-120.65	352.63	4.17	-116.48
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(F)=C1	REAL300000519425	0	35	-2.0	-135.26	332.13	5.76	-129.50
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC(OC(F)F)=CC=C3C(=O)[O-])=CC=C21	REAL300000519426	0	37	-2.0	-126.48	346.07	3.27	-123.21
COC(CS(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-])C1CC1	REAL300000519427	1	39	-2.0	-125.45	345.03	4.19	-121.26
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519428	0	36	-2.0	-129.76	336.89	4.66	-125.10
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519429	0	31	-2.0	-116.85	300.98	2.72	-114.13
CC1=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=CC=C1Cl	REAL300000519430	1	35	-2.0	-122.11	337.68	5.91	-116.20
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000519431	1	38	-2.0	-137.67	350.31	5.80	-131.87
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519432	0	37	-2.0	-144.94	343.75	0.76	-144.18
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000519433	0	31	-2.0	-130.97	302.73	2.99	-127.98
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000519435	0	31	-2.0	-115.91	303.63	2.96	-112.95
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)CCOCC1CCC1	REAL300000519436	1	42	-2.0	-120.71	369.20	4.71	-116.00
COC(CS(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-])C(C)C	REAL300000519437	1	41	-2.0	-127.45	348.44	4.32	-123.13
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000519438	1	32	-2.0	-117.40	324.81	5.38	-112.02
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000519439	0	40	-2.0	-138.45	354.42	6.02	-132.43
CN1C=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(=O)NC1=O	REAL300000519442	0	35	-2.0	-131.43	330.63	1.51	-129.92
CCOC(CS(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-])C1CC1	REAL300000519443	1	42	-2.0	-126.15	365.64	5.16	-120.99
COC(CS(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-])C1CCCC1	REAL300000519444	1	45	-2.0	-123.49	375.89	5.14	-118.35
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000519445	0	35	-2.0	-124.60	341.97	4.32	-120.28
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000519446	0	31	-2.0	-123.19	319.60	3.42	-119.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(F)=C1F	REAL300000519447	0	35	-2.0	-131.99	334.35	5.59	-126.40
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=N1	REAL300000519448	0	34	-2.0	-140.00	330.58	3.71	-136.29
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519449	0	33	-3.0	-195.62	327.67	3.43	-192.19
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519450	0	36	-2.0	-122.19	331.13	4.79	-117.40
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519451	0	33	-2.0	-116.53	329.46	5.27	-111.26
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000519452	0	34	-2.0	-126.15	325.49	3.86	-122.29
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000519452	1	34	-2.0	-139.40	325.39	4.00	-135.40
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000519453	0	36	-2.0	-136.99	335.96	4.78	-132.21
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000519454	0	33	-2.0	-120.96	318.40	2.57	-118.39
O=C([O-])C1=CC=C(OC(F)F)C=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000519454	1	33	-2.0	-107.21	312.16	2.87	-104.34
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519455	1	42	-2.0	-127.63	379.43	7.60	-120.03
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519456	0	38	-2.0	-122.48	341.41	3.86	-118.62
NC1=NC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=N1	REAL300000519457	0	32	-2.0	-118.98	307.43	2.17	-116.81
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1	REAL300000519458	1	39	-2.0	-130.58	365.97	6.77	-123.81
COC1=NSC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519459	0	32	-2.0	-116.38	321.47	0.61	-115.77
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])O1	REAL300000519460	1	45	-2.0	-129.26	374.27	5.02	-124.24
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000519461	0	28	-2.0	-118.84	288.96	2.51	-116.33
CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C(C(N)=O)O1	REAL300000519462	0	36	-2.0	-122.58	341.73	0.42	-122.16
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519463	1	41	-2.0	-122.05	349.48	7.10	-114.95
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000519464	0	32	-2.0	-130.74	316.62	4.93	-125.81
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000519465	0	37	-2.0	-138.55	338.46	5.32	-133.23
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1F	REAL300000519466	0	33	-2.0	-130.43	328.05	5.23	-125.20
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000519467	0	39	-2.0	-125.52	352.12	4.49	-121.03
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000519468	0	39	-2.0	-123.20	347.45	4.80	-118.40
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000519469	0	39	-2.0	-130.98	346.60	4.84	-126.14
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519470	0	35	-2.0	-124.39	326.96	5.48	-118.91
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC(OC(F)F)=CC=C3C(=O)[O-])=C2O1	REAL300000519471	0	40	-2.0	-140.66	359.47	5.39	-135.27
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000519472	0	29	-2.0	-123.71	307.64	4.25	-119.46
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519473	0	37	-2.0	-143.20	342.91	4.42	-138.78
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000519474	0	33	-2.0	-115.22	317.11	3.59	-111.63
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000519475	0	35	-2.0	-130.92	341.06	6.23	-124.69
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519476	0	39	-2.0	-121.73	354.16	4.53	-117.20
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000519477	0	35	-2.0	-131.30	331.99	5.09	-126.21
CN1C=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(C2CC2)=N1	REAL300000519478	0	39	-2.0	-128.06	357.52	4.73	-123.33
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(OC(F)F)=CC=C3C(=O)[O-])C=CC=C21	REAL300000519479	0	37	-2.0	-147.89	346.77	3.21	-144.68
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(OC(F)F)=CC=C3C(=O)[O-])=C21	REAL300000519480	0	39	-2.0	-128.22	342.90	6.78	-121.44
CC1=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=CN=C1N	REAL300000519481	1	36	-2.0	-127.14	330.24	2.52	-124.62
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519482	0	32	-2.0	-124.59	319.52	0.68	-123.91
CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])N=CN1	REAL300000519483	0	32	-2.0	-138.83	301.16	2.88	-135.95
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000519485	0	29	-2.0	-123.11	308.06	4.35	-118.76
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000519486	0	36	-2.0	-132.07	340.37	5.92	-126.15
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519487	1	41	-2.0	-130.08	366.61	7.02	-123.06
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519488	0	39	-2.0	-126.43	347.91	4.35	-122.08
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519489	1	38	-2.0	-128.29	332.35	6.49	-121.80
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519490	0	41	-2.0	-119.51	349.21	4.71	-114.80
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=N1	REAL300000519491	0	41	-2.0	-125.97	366.72	4.53	-121.44
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000519492	0	39	-2.0	-126.16	350.73	3.92	-122.24
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000519493	1	35	-2.0	-126.62	330.23	5.63	-120.99
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519494	0	35	-2.0	-120.34	323.39	3.08	-117.26
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1C	REAL300000519496	1	38	-2.0	-128.72	334.72	6.12	-122.60
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000519497	0	35	-2.0	-126.14	330.01	5.85	-120.29
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000519498	1	39	-2.0	-130.39	351.44	6.92	-123.47
COC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=CS1	REAL300000519499	0	33	-2.0	-130.89	324.48	3.26	-127.63
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519500	0	41	-2.0	-122.42	362.18	4.70	-117.72
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC(OC(F)F)=CC=C3C(=O)[O-])C2=N1	REAL300000519501	0	37	-2.0	-138.96	345.83	3.17	-135.79
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])O1	REAL300000519502	0	35	-2.0	-127.72	328.30	4.41	-123.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])S1	REAL300000519503	0	33	-2.0	-123.90	326.01	3.26	-120.64
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000519504	0	35	-2.0	-121.27	334.89	3.50	-117.77
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000519505	0	35	-2.0	-127.71	322.76	5.78	-121.93
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000519506	0	35	-2.0	-131.76	327.72	5.21	-126.55
CCN1N=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=N1	REAL300000519507	0	34	-2.0	-124.80	322.93	1.68	-123.12
CCN1N=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1Cl	REAL300000519508	0	35	-2.0	-120.65	343.89	3.73	-116.92
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000519509	0	29	-2.0	-120.63	301.97	3.42	-117.21
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000519511	0	36	-2.0	-128.17	346.03	6.13	-122.04
CC1=COC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519512	0	32	-2.0	-126.65	306.81	3.48	-123.17
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000519513	0	31	-2.0	-111.14	319.85	3.44	-107.70
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519514	0	38	-2.0	-126.57	345.62	4.82	-121.75
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC(OC(F)F)=CC=C3C(=O)[O-])=CC=C21	REAL300000519515	1	39	-2.0	-136.26	355.95	6.57	-129.69
CN1N=CC(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1Cl	REAL300000519516	0	32	-2.0	-120.02	322.08	2.86	-117.16
N#CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])OC=C1	REAL300000519517	0	30	-2.0	-124.06	306.38	3.26	-120.80
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519518	0	34	-2.0	-115.58	329.96	4.20	-111.38
CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(=O)NC(=O)N1	REAL300000519519	0	35	-2.0	-129.17	324.92	0.80	-128.37
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000519520	0	29	-2.0	-122.41	300.99	3.31	-119.10
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000519521	0	29	-2.0	-120.35	311.03	4.32	-116.03
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000519522	1	39	-2.0	-130.65	345.78	6.98	-123.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C(C)=N1	REAL300000519524	0	38	-2.0	-120.06	345.07	2.25	-117.81
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519525	0	38	-2.0	-132.54	349.64	2.62	-129.92
COC1=NC=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C1C	REAL300000519526	0	38	-2.0	-121.83	349.53	2.22	-119.61
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=N1	REAL300000519527	0	41	-2.0	-124.11	365.16	4.96	-119.15
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519528	0	41	-2.0	-126.31	367.66	4.49	-121.82
N#CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=CO1	REAL300000519529	0	30	-2.0	-126.80	305.18	3.22	-123.58
N#CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])SC=C1	REAL300000519530	0	30	-2.0	-128.10	311.71	4.19	-123.91
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)F)=CC=C1C(=O)[O-]	REAL300000519531	0	38	-2.0	-121.72	343.94	4.07	-117.65
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000519532	0	39	-2.0	-121.10	354.44	4.92	-116.18
COC1=NOC(CS(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519533	0	35	-2.0	-118.12	333.28	1.14	-116.98
CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=NN1C(C)C	REAL300000519534	0	41	-2.0	-124.64	366.71	4.55	-120.09
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000519535	0	34	-2.0	-127.09	331.45	3.92	-123.17
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000519537	1	33	-2.0	-128.90	313.24	1.96	-126.94
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000519538	0	28	-2.0	-116.63	287.88	2.41	-114.22
CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])C=C(Cl)S1	REAL300000519539	0	32	-2.0	-117.97	328.77	5.20	-112.77
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000519540	0	28	-2.0	-121.66	288.81	1.93	-119.73
O=C([O-])C1=CC=C(OC(F)F)C=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000519541	0	39	-2.0	-126.62	347.95	4.12	-122.50
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(OC(F)F)=CC=C2C(=O)[O-])=C1	REAL300000519542	0	35	-2.0	-133.90	329.12	5.54	-128.36
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000519543	0	41	-2.0	-114.99	376.04	4.87	-110.12
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000519544	0	41	-2.0	-103.76	371.12	4.85	-98.91
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000519545	0	41	-2.0	-117.65	371.51	4.84	-112.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(=O)N(C)C)C=C1	REAL300000519546	0	45	-2.0	-123.22	399.24	4.66	-118.56
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000519547	0	45	-2.0	-103.56	402.96	6.13	-97.43
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000519548	0	44	-2.0	-120.41	391.99	5.47	-114.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)=C1C	REAL300000519549	0	47	-2.0	-120.96	404.18	6.18	-114.78
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000519550	0	41	-2.0	-114.48	376.61	4.91	-109.57
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000519551	0	47	-2.0	-103.01	415.10	6.43	-96.58
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000519552	0	38	-2.0	-111.38	364.29	3.87	-107.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(=O)N(C)C)C=C1	REAL300000519553	0	44	-2.0	-118.83	386.94	5.61	-113.22
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000519554	0	45	-2.0	-102.07	402.20	5.13	-96.94
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000519555	0	42	-2.0	-115.95	378.81	4.20	-111.75
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(=O)N(C)C)C=C1	REAL300000519556	0	45	-2.0	-119.72	395.71	3.66	-116.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)=C1	REAL300000519557	0	41	-2.0	-106.46	380.22	4.53	-101.93
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000519558	0	47	-2.0	-120.09	402.97	6.15	-113.94
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000519559	0	38	-2.0	-113.00	363.16	3.87	-109.13
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000519560	0	45	-2.0	-123.61	398.79	4.91	-118.70
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(=O)N(C)C)C=C1	REAL300000519561	0	47	-2.0	-117.09	401.64	6.55	-110.54
CC1=C(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000519562	0	41	-2.0	-111.05	374.52	3.98	-107.07
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)=C1	REAL300000519563	0	45	-2.0	-116.82	400.05	3.95	-112.87
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(=O)N(C)C)C=C1	REAL300000519564	0	44	-2.0	-108.95	392.22	5.66	-103.29
CC1=C(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000519565	0	41	-2.0	-114.56	380.79	4.73	-109.83
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000519566	0	41	-2.0	-103.26	376.02	4.88	-98.38
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000519567	0	38	-2.0	-105.28	363.36	3.98	-101.30
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000519568	0	41	-2.0	-106.71	377.50	4.91	-101.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)=C1F	REAL300000519569	0	44	-2.0	-116.16	397.27	5.54	-110.62
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000519570	0	41	-2.0	-103.38	377.38	4.90	-98.48
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000519571	0	42	-2.0	-117.43	381.23	2.57	-114.86
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000519572	0	44	-2.0	-107.83	393.70	5.62	-102.21
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CCC(=O)N(C)C)C=C1	REAL300000519573	0	44	-2.0	-112.34	381.99	5.45	-106.89
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)=CC(C(=O)[O-])=C1F	REAL300000519574	0	44	-2.0	-116.40	396.34	5.49	-110.91
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCC(=O)N(C)C)C=C1	REAL300000519575	0	44	-2.0	-104.27	386.51	5.62	-98.65
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)=CC(C(=O)[O-])=C1C	REAL300000519576	0	47	-2.0	-120.59	408.31	6.01	-114.58
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)C(C)=C1C(=O)[O-]	REAL300000519577	0	47	-2.0	-116.39	404.49	6.25	-110.14
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000519578	0	44	-2.0	-115.83	392.58	5.45	-110.38
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)=C1	REAL300000519579	0	44	-2.0	-120.76	397.19	5.55	-115.21
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000519580	0	47	-2.0	-119.65	405.44	6.03	-113.62
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000519581	0	45	-2.0	-117.14	399.53	5.06	-112.08
CC1=CC(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000519582	0	44	-2.0	-104.41	387.92	5.37	-99.04
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(=O)N(C)C)C=C1	REAL300000519583	0	44	-2.0	-116.34	391.05	5.68	-110.66
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000519584	0	41	-2.0	-119.78	375.17	4.87	-114.91
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000519585	0	44	-2.0	-108.98	392.67	5.41	-103.57
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000519586	0	40	-2.0	-114.40	368.50	2.89	-111.51
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCC(=O)N(C)C)C=C1	REAL300000519587	0	45	-2.0	-108.31	399.30	4.65	-103.66
CN(C)C(=O)CCN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000519588	0	38	-2.0	-104.73	372.30	3.83	-100.90
CCC1=C(S(=O)(=O)[N-]C2=NN(CCC(=O)N(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000519589	0	44	-2.0	-110.99	393.64	4.83	-106.16
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=CN=CC=C12	REAL300000519590	1	37	-2.0	-103.74	338.68	4.94	-98.80
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CN=CC=C12	REAL300000519591	1	37	-2.0	-94.04	334.14	4.92	-89.12
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CN=CC=C12	REAL300000519592	1	37	-2.0	-106.14	334.16	4.90	-101.24
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C2=CN=CC=C12	REAL300000519593	0	41	-2.0	-111.14	362.28	4.71	-106.43
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2=CN=CC=C12	REAL300000519594	1	41	-2.0	-93.48	365.61	6.21	-87.27
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C2=CN=CC=C12	REAL300000519595	1	40	-2.0	-108.54	354.23	5.55	-102.99
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C2=CN=CC=C12	REAL300000519596	0	37	-2.0	-101.60	347.23	5.48	-96.12
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=CN=CC=C12	REAL300000519597	1	37	-2.0	-102.10	346.66	5.31	-96.79
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C2=CN=CC=C12	REAL300000519598	1	43	-2.0	-108.82	366.82	6.26	-102.56
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=CN=CC=C12	REAL300000519599	0	37	-2.0	-103.27	339.62	4.98	-98.29
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C2=CN=CC=C12	REAL300000519600	1	43	-2.0	-92.58	377.73	6.49	-86.09
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CN=CC=C12	REAL300000519601	0	34	-2.0	-100.66	327.34	3.93	-96.73
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C2=CN=CC=C12	REAL300000519602	1	40	-2.0	-106.74	349.59	5.69	-101.05
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2=CN=CC=C12	REAL300000519603	1	41	-2.0	-92.15	365.23	5.19	-86.96
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=CN=CC=C12	REAL300000519604	0	38	-2.0	-104.58	340.80	4.27	-100.31
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C2=CN=CC=C12	REAL300000519605	1	41	-2.0	-107.45	357.94	3.74	-103.71
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C2=CN=CC=C12	REAL300000519606	0	37	-2.0	-96.81	343.26	4.60	-92.21
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C2=CN=CC=C12	REAL300000519607	1	43	-2.0	-109.22	369.60	6.32	-102.90
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CN=CC=C12	REAL300000519608	0	34	-2.0	-102.01	325.80	3.95	-98.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C3=CC=NC=C23)C=C1C(=O)[O-]	REAL300000519609	1	41	-2.0	-111.99	361.43	4.98	-107.01
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC)C2=CC=NC=C12	REAL300000519610	1	43	-2.0	-105.09	362.40	6.55	-98.54
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C2=CN=CC=C12	REAL300000519611	1	44	-2.0	-110.70	378.42	6.80	-103.90
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C2=CN=CC=C12	REAL300000519612	0	37	-2.0	-100.11	337.16	4.05	-96.06
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C2=CN=CC=C12	REAL300000519613	0	41	-2.0	-107.55	363.07	4.00	-103.55
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C2=CN=CC=C12	REAL300000519614	1	40	-2.0	-97.58	354.86	5.72	-91.86
COC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C2=CN=CC=C12	REAL300000519615	0	37	-2.0	-103.26	343.85	4.79	-98.47
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C2=CN=CC=C12	REAL300000519616	0	37	-2.0	-91.67	347.20	5.47	-86.20
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=CN=CC=C12	REAL300000519617	1	37	-2.0	-93.61	338.67	4.95	-88.66
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CN=CC=C12	REAL300000519618	0	34	-2.0	-95.71	326.41	4.04	-91.67
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=CN=CC=C12	REAL300000519619	0	37	-2.0	-97.24	340.57	4.97	-92.27
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C2=CN=CC=C12	REAL300000519620	0	40	-2.0	-104.59	359.91	5.61	-98.98
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=CN=CC=C12	REAL300000519621	0	37	-2.0	-93.47	339.62	4.98	-88.49
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=CN=CC=C12	REAL300000519622	1	37	-2.0	-91.62	346.64	5.32	-86.30
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C2=CN=CC=C12	REAL300000519623	1	37	-2.0	-95.50	344.98	5.00	-90.50
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=CN=CC=C12	REAL300000519624	0	38	-2.0	-105.64	343.87	2.62	-103.02
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CN=CC=C12	REAL300000519624	1	38	-2.0	-107.79	338.29	3.44	-104.35
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=CN=CC=C12	REAL300000519625	1	40	-2.0	-97.02	356.33	5.69	-91.33
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C2=CN=CC=C12	REAL300000519626	1	40	-2.0	-102.56	344.19	5.54	-97.02
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C2=CN=CC=C12	REAL300000519627	1	40	-2.0	-105.09	358.99	5.56	-99.53
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C2=CN=CC=C12	REAL300000519628	1	40	-2.0	-94.18	349.57	5.68	-88.50
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C2=CN=CC=C12	REAL300000519629	1	43	-2.0	-109.00	367.62	5.99	-103.01
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C2=CN=CC=C12	REAL300000519630	0	37	-2.0	-95.09	345.89	5.04	-90.05
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C2=CN=CC=C12	REAL300000519631	1	43	-2.0	-107.11	367.54	6.32	-100.79
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C2=CN=CC=C12	REAL300000519632	0	40	-2.0	-105.53	359.47	5.60	-99.93
COC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C2=CN=CC=C12	REAL300000519633	0	40	-2.0	-111.22	359.19	5.61	-105.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C3=CC=NC=C23)C=C1C(=O)[O-]	REAL300000519634	1	43	-2.0	-107.97	368.48	6.09	-101.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC)C3=CC=NC=C23)C=C1C(=O)[O-]	REAL300000519635	0	41	-2.0	-105.77	362.18	5.12	-100.65
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C2=CN=CC=C12	REAL300000519636	1	40	-2.0	-94.14	350.16	5.46	-88.68
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C2=CN=CC=C12	REAL300000519637	1	40	-2.0	-104.54	353.69	5.74	-98.80
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=CN=CC=C12	REAL300000519638	0	37	-2.0	-110.53	337.79	4.94	-105.59
COC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C2=CN=CC=C12	REAL300000519639	1	40	-2.0	-97.88	355.32	5.47	-92.41
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CN=CC=C12	REAL300000519640	0	36	-2.0	-102.97	331.14	2.97	-100.00
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C2=CN=CC=C12	REAL300000519641	0	41	-2.0	-97.97	362.36	4.71	-93.26
COC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=CN=CC=C12	REAL300000519642	0	34	-2.0	-94.16	334.25	3.90	-90.26
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C2=CN=CC=C12	REAL300000519643	1	44	-2.0	-100.25	380.28	6.78	-93.47
COC1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C2=CN=CC=C12	REAL300000519644	1	44	-2.0	-95.25	379.24	6.79	-88.46
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC)C3=CC=NC=C23)C=C(C(=O)[O-])O1	REAL300000519645	0	40	-2.0	-99.79	356.28	4.89	-94.90
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1	REAL300000519648	1	41	-2.0	-109.46	349.84	8.21	-101.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCCC2)C=C1	REAL300000519649	0	45	-2.0	-114.85	377.34	7.99	-106.86
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1	REAL300000519652	0	41	-2.0	-104.61	362.26	8.77	-95.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=CC=C1Cl	REAL300000519653	1	41	-2.0	-104.69	361.70	8.59	-96.10
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1	REAL300000519655	0	41	-2.0	-106.38	354.67	8.26	-98.12
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)C=C1	REAL300000519656	1	47	-2.0	-94.95	392.76	9.79	-85.16
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1	REAL300000519657	0	38	-2.0	-103.08	342.38	7.21	-95.87
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000519660	1	42	-2.0	-107.76	356.47	7.56	-100.20
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1	REAL300000519662	0	41	-2.0	-99.07	358.32	7.88	-91.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=CS1	REAL300000519664	1	38	-2.0	-104.50	340.84	7.23	-97.27
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCCC2)C=C1	REAL300000519667	1	50	-2.0	-112.53	403.09	10.20	-102.33
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCCC2)C=C1	REAL300000519669	0	48	-2.0	-115.27	399.62	8.76	-106.51
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3CCCC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000519670	0	44	-2.0	-108.85	380.29	8.71	-100.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000519670	1	43	-3.0	-184.61	377.60	8.76	-175.85
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000519672	0	41	-2.0	-102.68	352.20	7.33	-95.35
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1	REAL300000519673	0	45	-2.0	-110.05	378.16	7.28	-102.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C(Cl)C=C1F	REAL300000519674	0	41	-2.0	-101.09	366.79	8.78	-92.31
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCCC2)C=C1	REAL300000519676	1	44	-2.0	-100.41	369.90	9.01	-91.40
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)C=C1F	REAL300000519677	1	45	-2.0	-93.59	386.49	8.54	-85.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)C=C(C(=O)[O-])S1	REAL300000519679	1	41	-2.0	-106.29	357.79	8.09	-98.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)C(Cl)=C1	REAL300000519680	1	41	-2.0	-93.56	362.24	8.76	-84.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)C=C1F	REAL300000519681	1	41	-2.0	-95.85	354.36	8.26	-87.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)S1	REAL300000519682	0	38	-2.0	-97.80	341.46	7.32	-90.48
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1	REAL300000519683	1	41	-2.0	-99.60	355.60	8.26	-91.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1F	REAL300000519684	0	44	-2.0	-107.82	374.95	8.90	-98.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)C(F)=C1	REAL300000519685	0	41	-2.0	-95.51	354.66	8.27	-87.24
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCCC2)C=C1	REAL300000519687	1	44	-2.0	-102.12	378.64	9.40	-92.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=CC(F)=C1F	REAL300000519688	1	41	-2.0	-97.53	360.01	8.29	-89.24
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1	REAL300000519689	1	43	-2.0	-93.47	377.38	8.86	-84.61
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1	REAL300000519690	0	42	-2.0	-109.00	358.91	5.90	-103.10
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3CCCC3)C=C2)=C1	REAL300000519690	1	42	-2.0	-106.14	358.09	6.69	-99.45
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)C=C1	REAL300000519691	1	44	-2.0	-99.87	371.36	8.98	-90.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=CC(Cl)=C1F	REAL300000519692	1	41	-2.0	-99.10	369.90	8.73	-90.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000519697	1	43	-2.0	-107.17	376.40	9.31	-97.86
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1	REAL300000519698	0	41	-2.0	-97.74	360.95	8.32	-89.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000519700	0	44	-2.0	-107.57	370.67	8.79	-98.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1Cl	REAL300000519701	0	44	-2.0	-106.43	380.95	9.33	-97.10
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1	REAL300000519702	0	44	-2.0	-113.79	374.21	8.89	-104.90
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2CCCC2)C=C1	REAL300000519705	1	44	-2.0	-98.01	375.98	9.34	-88.67
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000519706	1	44	-2.0	-106.49	380.41	9.15	-97.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000519707	1	45	-2.0	-109.06	377.84	8.44	-100.62
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1[N+](=O)[O-]	REAL300000519711	0	43	-2.0	-116.06	372.92	10.04	-106.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1F	REAL300000519712	0	41	-2.0	-113.01	352.81	8.22	-104.79
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300000519713	1	44	-2.0	-101.48	374.13	8.86	-92.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=CC2=CC=CC=C21	REAL300000519714	1	47	-2.0	-117.41	390.23	10.30	-107.11
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C1	REAL300000519715	0	40	-2.0	-106.71	345.40	6.31	-100.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2CCCC2)C=C1	REAL300000519716	0	45	-2.0	-100.54	377.40	7.99	-92.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)=C(Cl)O1	REAL300000519717	0	38	-2.0	-96.37	349.34	7.18	-89.19
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4CCCC4)C=C3)C=C2)CC1	REAL300000519718	1	48	-2.0	-102.87	395.32	10.08	-92.79
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4CCCC4)C=C3)C=C2C1	REAL300000519719	1	48	-2.0	-105.68	394.63	10.09	-95.59
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000519720	0	44	-2.0	-102.65	371.32	8.18	-94.47
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(Cl)C3=NC=CN=C3C=C2)=C1	REAL300000519730	1	32	-2.0	-104.42	322.37	4.16	-100.26
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(Cl)C3=NC=CN=C3C=C2)=C1	REAL300000519732	1	29	-2.0	-102.25	310.07	3.12	-99.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(Cl)C3=NC=CN=C3C=C2)=C1	REAL300000519737	1	32	-2.0	-98.76	326.00	3.79	-94.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(Cl)C3=NC=CN=C3C=C2)S1	REAL300000519748	1	29	-2.0	-97.45	309.15	3.23	-94.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(Cl)C3=NC=CN=C3C=C2)=C1F	REAL300000519750	1	35	-2.0	-105.83	342.64	4.80	-101.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(Cl)C3=NC=CN=C3C=C2)C(F)=C1	REAL300000519751	1	32	-2.0	-95.48	322.35	4.17	-91.31
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(Cl)C3=NC=CN=C3C=C2)=C1	REAL300000519754	0	33	-2.0	-109.09	321.10	2.67	-106.42
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(Cl)C3=NC=CN=C3C=C2)=C1	REAL300000519760	1	32	-2.0	-96.64	328.62	4.23	-92.41
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(Cl)C3=NC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000519762	1	35	-2.0	-105.41	338.37	4.70	-100.71
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(Cl)C3=NC=CN=C3C=C2)=C1	REAL300000519763	1	35	-2.0	-113.39	341.93	4.79	-108.60
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(Cl)C3=NC=CN=C3C=C2)=C1F	REAL300000519768	1	32	-2.0	-112.57	320.53	4.13	-108.44
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(Cl)C3=NC=CN=C3C=C2)=C1	REAL300000519770	0	31	-2.0	-103.90	313.87	2.17	-101.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(Cl)C3=NC=CN=C3C=C2)=C(Cl)O1	REAL300000519772	1	29	-2.0	-95.79	317.00	3.09	-92.70
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2S1	REAL300000519774	1	33	-2.0	-103.01	330.29	5.28	-97.73
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2S1	REAL300000519775	1	33	-2.0	-93.20	325.73	5.27	-87.93
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2S1	REAL300000519776	1	33	-2.0	-105.33	325.75	5.25	-100.08
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C2N=C(C)SC2=C1	REAL300000519777	0	37	-2.0	-110.88	353.89	5.04	-105.84
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2S1	REAL300000519778	1	37	-2.0	-93.05	357.21	6.54	-86.51
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2S1	REAL300000519779	1	36	-2.0	-106.27	341.76	5.78	-100.49
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2S1	REAL300000519780	1	39	-2.0	-108.72	358.42	6.59	-102.13
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2S1	REAL300000519781	0	33	-2.0	-102.69	331.23	5.30	-97.39
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2S1	REAL300000519782	1	39	-2.0	-92.33	369.31	6.83	-85.50
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2S1	REAL300000519783	0	30	-2.0	-99.67	318.94	4.26	-95.41
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2S1	REAL300000519784	1	36	-2.0	-106.79	341.18	6.03	-100.76
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2S1	REAL300000519785	1	37	-2.0	-91.68	356.83	5.52	-86.16
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2S1	REAL300000519786	0	34	-2.0	-103.55	332.39	4.60	-98.95
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C=C2S1	REAL300000519787	1	37	-2.0	-107.15	349.96	4.07	-103.08
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2S1	REAL300000519788	0	33	-2.0	-95.81	334.87	4.93	-90.88
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=C2S1	REAL300000519789	1	39	-2.0	-108.22	356.82	6.59	-101.63
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2S1	REAL300000519790	0	30	-2.0	-101.10	317.39	4.28	-96.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C3N=C(C)SC3=C2)C=C1C(=O)[O-]	REAL300000519791	1	37	-2.0	-111.06	353.04	5.32	-105.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C2N=C(C)SC2=C1	REAL300000519792	1	39	-2.0	-105.53	355.90	6.96	-98.57
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2S1	REAL300000519793	0	33	-2.0	-99.71	328.76	4.38	-95.33
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2S1	REAL300000519794	0	37	-2.0	-106.23	354.73	4.34	-101.89
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2S1	REAL300000519795	0	36	-2.0	-97.36	346.46	6.08	-91.28
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2S1	REAL300000519796	0	33	-2.0	-103.23	334.35	5.14	-98.09
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2S1	REAL300000519797	1	33	-2.0	-92.85	330.27	5.29	-87.56
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2S1	REAL300000519798	0	30	-2.0	-94.74	318.01	4.37	-90.37
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2S1	REAL300000519799	0	33	-2.0	-96.26	332.15	5.32	-90.94
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2S1	REAL300000519800	0	36	-2.0	-103.94	351.52	5.95	-97.99
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2S1	REAL300000519801	0	33	-2.0	-92.41	331.21	5.32	-87.09
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2S1	REAL300000519802	0	34	-2.0	-105.81	335.46	2.96	-102.85
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2S1	REAL300000519803	1	36	-2.0	-96.82	347.91	6.02	-90.80
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2S1	REAL300000519804	1	36	-2.0	-101.34	335.81	5.89	-95.45
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C2S1	REAL300000519805	1	36	-2.0	-104.14	350.60	5.90	-98.24
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C2S1	REAL300000519806	1	36	-2.0	-93.65	341.16	6.02	-87.63
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C2S1	REAL300000519807	1	39	-2.0	-109.44	362.54	6.42	-103.02
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=C2S1	REAL300000519808	1	39	-2.0	-105.48	360.22	6.64	-98.84
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2S1	REAL300000519809	0	36	-2.0	-104.92	351.06	5.94	-98.98
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2S1	REAL300000519810	0	36	-2.0	-109.54	350.78	5.95	-103.59
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C3N=C(C)SC3=C2)C=C1C(=O)[O-]	REAL300000519811	1	39	-2.0	-106.97	359.99	6.44	-100.53
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C3N=C(C)SC3=C2)C=C1C(=O)[O-]	REAL300000519812	0	37	-2.0	-104.79	353.76	5.46	-99.33
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2S1	REAL300000519813	1	36	-2.0	-93.23	341.75	5.80	-87.43
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C2S1	REAL300000519814	1	36	-2.0	-104.60	345.28	6.09	-98.51
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2S1	REAL300000519815	0	33	-2.0	-108.93	329.41	5.28	-103.65
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2S1	REAL300000519816	1	36	-2.0	-97.91	350.69	5.92	-91.99
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2S1	REAL300000519817	0	32	-2.0	-102.73	322.73	3.30	-99.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C2N=C(C)SC2=C1	REAL300000519818	0	37	-2.0	-97.22	353.95	5.04	-92.18
CC1=NC2=C(F)C=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2S1	REAL300000519819	0	30	-2.0	-93.42	325.90	4.22	-89.20
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C3N=C(C)SC3=C2)C=C(C(=O)[O-])O1	REAL300000519820	0	36	-2.0	-99.61	347.88	5.23	-94.38
COC(=O)C1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000519821	0	44	-2.0	-100.11	387.19	6.73	-93.38
COC(=O)C1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000519822	0	44	-2.0	-112.41	387.21	6.71	-105.70
COC(=O)C1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000519823	0	41	-2.0	-106.92	380.40	5.74	-101.18
COC(=O)C1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000519824	0	45	-2.0	-110.84	393.84	6.07	-104.77
COC(=O)C1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000519825	0	41	-2.0	-108.03	378.86	5.74	-102.29
COC(=O)C1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000519826	0	44	-2.0	-105.31	390.22	5.86	-99.45
COC(=O)C1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000519827	0	41	-2.0	-101.83	379.46	5.85	-95.98
COC(=O)C1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000519828	0	43	-2.0	-110.30	383.42	4.83	-105.47
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000519829	0	38	-2.0	-82.56	362.35	1.49	-81.07
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000519830	0	31	-2.0	-97.33	310.41	2.94	-94.39
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000519831	0	39	-2.0	-98.19	365.49	4.02	-94.17
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000519832	0	31	-2.0	-88.00	305.86	2.91	-85.09
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000519833	0	31	-2.0	-99.13	305.87	2.90	-96.23
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000519834	0	35	-2.0	-103.43	334.01	2.72	-100.71
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000519835	0	35	-2.0	-88.19	337.34	4.20	-83.99
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000519836	0	34	-2.0	-100.01	321.89	3.44	-96.57
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000519837	0	37	-2.0	-101.52	337.86	4.24	-97.28
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000519838	0	31	-2.0	-95.52	311.34	2.97	-92.55
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000519839	0	37	-2.0	-87.04	349.45	4.50	-82.54
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000519840	0	28	-2.0	-93.52	299.06	1.93	-91.59
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000519841	0	34	-2.0	-99.64	321.30	3.69	-95.95
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000519842	0	35	-2.0	-86.80	336.96	3.19	-83.61
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000519843	0	32	-2.0	-97.80	312.52	2.25	-95.55
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000519844	0	35	-2.0	-100.44	329.65	1.74	-98.70
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000519845	0	31	-2.0	-90.15	314.98	2.59	-87.56
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000519846	0	37	-2.0	-100.60	337.33	4.23	-96.37
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000519847	0	28	-2.0	-95.13	297.52	1.95	-93.18
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000519848	0	39	-2.0	-99.74	364.19	2.72	-97.02
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000519849	0	35	-2.0	-105.06	333.17	2.97	-102.09
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000519850	0	41	-2.0	-102.66	361.10	5.54	-97.12
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000519851	0	40	-2.0	-101.32	359.77	4.92	-96.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)OC)=NN1	REAL300000519852	0	37	-2.0	-98.31	335.99	4.64	-93.67
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000519853	0	38	-2.0	-102.79	356.30	3.48	-99.31
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000519854	0	33	-3.0	-171.36	334.27	3.47	-167.89
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000519855	0	38	-2.0	-103.01	350.11	4.80	-98.21
COC(=O)C1=NNC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000519856	0	31	-2.0	-93.40	308.88	2.05	-91.35
COC(=O)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1	REAL300000519856	1	31	-2.0	-102.72	309.75	2.08	-100.64
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000519857	0	37	-2.0	-103.86	348.04	2.68	-101.18
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000519858	0	35	-2.0	-100.90	334.79	2.01	-98.89
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000519859	0	39	-2.0	-86.99	358.80	3.51	-83.48
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000519860	0	31	-2.0	-89.45	333.54	3.76	-85.69
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000519861	0	35	-2.0	-85.71	352.98	3.73	-81.98
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000519862	0	38	-2.0	-87.19	357.03	3.90	-83.29
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000519863	0	34	-2.0	-91.18	326.17	3.76	-87.42
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C1	REAL300000519864	0	44	-2.0	-87.53	399.48	4.83	-82.70
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000519865	0	35	-2.0	-86.80	343.17	3.26	-83.54
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=NN2)C=C1C(=O)[O-]	REAL300000519866	0	38	-2.0	-105.71	355.02	3.88	-101.83
COC(=O)C1=NNC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000519867	0	31	-2.0	-96.34	315.56	2.79	-93.55
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000519868	0	31	-2.0	-88.84	334.09	3.92	-84.92
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000519869	0	31	-2.0	-85.96	318.92	3.47	-82.49
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000519870	0	31	-2.0	-87.94	310.38	2.94	-85.00
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000519871	0	28	-2.0	-88.98	298.13	2.03	-86.95
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000519872	0	31	-2.0	-90.53	312.28	2.97	-87.56
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000519873	0	34	-2.0	-96.68	331.63	3.61	-93.07
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000519874	0	35	-2.0	-90.63	346.17	3.54	-87.09
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000519875	0	31	-2.0	-87.13	311.33	2.98	-84.15
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000519876	0	31	-2.0	-85.76	318.35	3.31	-82.45
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000519877	0	34	-2.0	-92.64	334.90	4.14	-88.50
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000519878	0	39	-2.0	-85.38	369.62	4.32	-81.06
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000519879	0	33	-2.0	-85.18	334.07	3.57	-81.61
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000519880	0	32	-2.0	-98.23	315.59	0.63	-97.60
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000519881	0	34	-2.0	-90.60	328.06	3.69	-86.91
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000519882	0	31	-2.0	-90.65	326.57	3.44	-87.21
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000519883	0	34	-2.0	-96.19	315.91	3.54	-92.65
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000519884	0	34	-2.0	-98.45	330.71	3.56	-94.89
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000519885	0	34	-2.0	-88.36	321.28	3.68	-84.68
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000519886	0	37	-2.0	-101.60	338.75	3.97	-97.63
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000519887	0	33	-2.0	-99.02	332.42	4.00	-95.02
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000519888	0	31	-2.0	-87.84	317.62	3.03	-84.81
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000519889	0	37	-2.0	-100.55	339.40	4.32	-96.23
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000519890	0	34	-2.0	-97.66	331.19	3.60	-94.06
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000519891	0	34	-2.0	-96.12	337.63	4.04	-92.08
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000519892	0	34	-2.0	-104.10	330.90	3.60	-100.50
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=NN2)C=C1C(=O)[O-]	REAL300000519893	0	37	-2.0	-100.61	340.19	4.09	-96.52
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000519894	0	38	-2.0	-100.54	356.34	3.04	-97.50
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000519895	0	34	-2.0	-89.59	332.13	4.09	-85.50
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000519896	0	34	-2.0	-85.06	335.98	3.72	-81.34
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000519897	0	34	-2.0	-96.89	337.10	3.86	-93.03
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=NN2)C=C1C(=O)[O-]	REAL300000519898	0	35	-2.0	-98.96	333.81	3.12	-95.84
COC(=O)C1=NNC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000519899	0	43	-2.0	-100.58	371.02	5.78	-94.80
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000519900	0	31	-2.0	-87.07	331.48	3.46	-83.61
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000519901	0	34	-2.0	-93.79	339.64	3.97	-89.82
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000519902	0	35	-2.0	-100.21	346.19	3.54	-96.67
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000519903	0	34	-2.0	-87.94	321.88	3.45	-84.49
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000519904	0	36	-2.0	-92.01	346.59	5.10	-86.91
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000519905	0	34	-2.0	-97.96	325.40	3.74	-94.22
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000519906	0	33	-2.0	-107.05	329.62	4.77	-102.28
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000519907	0	31	-2.0	-103.58	309.50	2.93	-100.65
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000519908	0	34	-2.0	-92.09	330.83	3.58	-88.51
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000519909	0	37	-2.0	-106.95	346.90	5.03	-101.92
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000519910	0	30	-2.0	-95.39	302.84	0.96	-94.43
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000519911	0	35	-2.0	-91.60	334.07	2.71	-88.89
COC(=O)C1=NNC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000519912	0	28	-2.0	-87.51	305.97	1.88	-85.63
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000519913	0	38	-2.0	-94.06	350.46	4.75	-89.31
COC(=O)C1=NNC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000519914	0	38	-2.0	-97.02	349.95	4.78	-92.24
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=NN2)C=C(C(=O)[O-])O1	REAL300000519915	0	34	-2.0	-93.23	327.99	2.90	-90.33
CCC1=C(S(=O)(=O)[N-]C2=NNC(C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000519915	1	34	-2.0	-102.69	328.87	2.94	-99.75
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000519916	0	32	-2.0	-124.26	317.62	5.29	-118.97
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000519917	0	31	-2.0	-106.37	320.98	3.64	-102.73
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000519918	1	33	-2.0	-112.01	329.95	5.40	-106.61
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=C1	REAL300000519919	1	33	-2.0	-107.66	329.94	5.40	-102.26
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000519920	0	33	-2.0	-124.07	327.22	5.30	-118.77
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000519921	0	35	-2.0	-111.34	325.37	2.84	-108.50
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000519922	0	34	-2.0	-106.77	324.04	3.93	-102.84
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000519923	1	32	-2.0	-105.65	321.81	5.13	-100.52
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000519924	1	35	-2.0	-117.96	330.52	5.68	-112.28
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000519926	1	32	-2.0	-112.86	325.85	5.53	-107.33
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000519927	1	38	-2.0	-117.03	346.02	6.45	-110.58
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000519930	0	36	-2.0	-123.40	337.38	4.80	-118.60
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000519931	0	32	-2.0	-117.01	322.25	5.57	-111.44
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000519932	0	29	-2.0	-114.23	301.05	4.01	-110.22
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000519935	0	32	-2.0	-112.64	321.02	5.14	-107.50
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000519936	1	32	-2.0	-113.06	315.52	5.08	-107.98
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000519937	1	32	-2.0	-106.60	321.94	5.15	-101.45
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000519938	1	32	-2.0	-109.61	325.85	5.53	-104.08
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000519939	1	32	-2.0	-116.94	309.11	5.01	-111.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])S1	REAL300000519940	0	32	-2.0	-115.93	322.94	4.81	-111.12
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000519941	0	32	-2.0	-115.27	321.02	5.14	-110.13
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000519943	0	38	-2.0	-115.39	345.81	4.04	-111.35
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000519946	0	32	-2.0	-121.82	314.62	5.07	-116.75
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1Cl	REAL300000519948	0	32	-2.0	-123.36	326.58	4.57	-118.79
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=N1	REAL300000519949	0	32	-2.0	-112.89	313.66	2.71	-110.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=C1F	REAL300000519951	1	35	-2.0	-113.71	335.83	5.72	-107.99
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000519952	0	35	-2.0	-122.29	336.03	5.74	-116.55
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000519953	1	35	-2.0	-111.24	331.01	5.85	-105.39
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000519954	0	36	-2.0	-116.19	340.31	3.37	-112.82
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000519954	1	36	-2.0	-104.22	334.31	4.23	-99.99
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000519955	0	29	-2.0	-109.56	290.70	1.40	-108.16
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000519956	0	31	-2.0	-106.73	310.52	3.29	-103.44
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000519957	0	32	-2.0	-124.37	313.13	4.11	-120.26
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=N1	REAL300000519958	0	32	-2.0	-104.09	325.06	3.53	-100.56
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000519959	0	32	-2.0	-120.16	320.89	5.14	-115.02
CC1=NC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=CN1C	REAL300000519960	0	35	-2.0	-129.81	332.81	3.90	-125.91
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=N1	REAL300000519961	0	35	-2.0	-113.27	335.20	3.58	-109.69
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000519962	0	32	-2.0	-111.09	311.37	2.00	-109.09
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000519963	1	36	-2.0	-119.00	338.61	4.31	-114.69
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000519964	1	35	-2.0	-116.07	324.18	5.80	-110.27
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=N1	REAL300000519966	0	32	-2.0	-122.59	313.96	2.54	-120.05
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000519967	0	32	-2.0	-108.44	309.35	2.65	-105.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C(F)=C1	REAL300000519973	0	35	-2.0	-121.76	336.03	5.75	-116.01
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000519975	0	29	-2.0	-121.81	290.42	2.40	-119.41
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])SC=C1	REAL300000519977	0	32	-2.0	-115.28	316.84	4.82	-110.46
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=N1	REAL300000519981	0	38	-2.0	-113.68	353.88	4.09	-109.59
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=CN1	REAL300000519983	0	38	-2.0	-127.29	353.08	3.45	-123.84
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000519987	1	35	-2.0	-112.77	329.91	5.82	-106.95
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])S1	REAL300000519988	0	34	-2.0	-113.51	334.34	3.58	-109.93
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000519989	1	38	-2.0	-118.27	352.01	6.44	-111.83
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000519990	1	35	-2.0	-113.43	336.94	5.74	-107.69
COC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])SC=C1	REAL300000519993	0	33	-2.0	-122.23	331.28	3.30	-118.93
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000519994	0	32	-2.0	-105.93	324.09	3.96	-101.97
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])N=C1Cl	REAL300000519995	0	32	-2.0	-123.94	329.46	3.83	-120.11
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])S1	REAL300000519996	0	31	-2.0	-112.37	317.64	2.84	-109.53
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000519999	0	38	-2.0	-124.11	354.56	5.40	-118.71
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000520001	0	38	-2.0	-123.62	356.44	5.77	-117.85
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1F	REAL300000520002	0	35	-2.0	-123.37	334.93	5.72	-117.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C(C)O1	REAL300000520004	0	35	-2.0	-113.38	332.07	4.59	-108.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])O1	REAL300000520005	0	32	-2.0	-116.42	313.71	3.82	-112.60
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000520006	0	35	-2.0	-117.33	342.76	5.42	-111.91
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000520007	0	31	-2.0	-107.03	320.86	3.70	-103.33
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])N=C1C	REAL300000520008	0	38	-2.0	-129.80	354.82	4.81	-124.99
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])S1	REAL300000520009	0	34	-2.0	-112.15	339.13	3.59	-108.56
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000520012	0	29	-2.0	-114.61	291.80	3.00	-111.61
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000520013	0	31	-2.0	-103.81	303.52	1.43	-102.38
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000520014	0	36	-2.0	-121.42	337.24	4.45	-116.97
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000520015	1	38	-2.0	-111.10	334.74	6.53	-104.57
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000520017	0	35	-2.0	-120.89	328.71	5.98	-114.91
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000520019	0	35	-2.0	-113.25	333.69	2.49	-110.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C(N)=NO1	REAL300000520021	0	33	-2.0	-106.56	316.65	2.38	-104.18
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])S1	REAL300000520023	0	30	-2.0	-105.53	321.63	4.56	-100.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=N1	REAL300000520024	0	34	-2.0	-113.72	325.72	3.85	-109.87
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])N(C)N=C1	REAL300000520027	0	35	-2.0	-109.62	326.00	3.48	-106.14
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])O1	REAL300000520028	0	30	-2.0	-107.05	313.04	3.55	-103.50
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000520029	0	29	-2.0	-112.03	300.23	3.92	-108.11
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000520030	0	29	-2.0	-112.49	291.65	2.89	-109.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=N1	REAL300000520031	1	35	-2.0	-109.39	336.29	1.70	-107.69
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000520032	0	32	-2.0	-114.88	322.68	4.67	-110.21
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000520033	0	29	-2.0	-111.01	307.40	1.82	-109.19
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000520034	0	31	-2.0	-111.40	316.04	3.13	-108.27
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000520035	0	31	-2.0	-108.51	317.61	3.30	-105.21
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000520037	0	29	-2.0	-113.37	307.39	4.05	-109.32
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000520040	0	29	-2.0	-116.51	290.74	1.58	-114.93
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])S1	REAL300000520041	0	35	-2.0	-117.49	339.23	5.64	-111.85
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=NN1C	REAL300000520044	0	35	-2.0	-112.31	329.78	3.24	-109.07
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=C1	REAL300000520045	1	36	-2.0	-117.31	340.21	6.10	-111.21
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000520046	0	35	-2.0	-114.35	332.50	3.37	-110.98
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000520047	0	32	-2.0	-105.38	324.97	3.61	-101.77
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000520054	0	31	-2.0	-105.92	306.07	2.97	-102.95
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000520055	0	31	-2.0	-119.77	309.62	3.19	-116.58
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000520058	0	31	-2.0	-105.30	310.53	3.16	-102.14
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=CS1	REAL300000520060	0	30	-2.0	-119.01	319.52	4.40	-114.61
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])N1C	REAL300000520066	0	35	-2.0	-114.00	328.27	4.06	-109.94
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000520068	0	33	-2.0	-97.49	319.31	3.64	-93.85
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000520068	1	33	-2.0	-109.84	325.30	2.77	-107.07
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000520069	0	38	-2.0	-111.62	348.29	4.06	-107.56
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=N1	REAL300000520070	0	32	-2.0	-108.26	314.33	2.36	-105.90
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000520071	0	32	-2.0	-105.69	328.36	0.81	-104.88
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000520072	0	28	-2.0	-107.74	295.86	2.71	-105.03
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])N=N1	REAL300000520074	0	31	-2.0	-117.75	307.91	1.33	-116.42
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000520075	0	35	-2.0	-113.04	333.85	5.68	-107.36
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000520076	0	34	-2.0	-103.79	324.35	2.34	-101.45
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=CN=C1N	REAL300000520078	1	36	-2.0	-116.00	337.12	2.72	-113.28
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000520079	0	32	-2.0	-113.57	326.41	0.87	-112.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])N=CN1	REAL300000520080	0	32	-2.0	-123.66	308.23	3.11	-120.55
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000520084	1	35	-2.0	-115.24	337.11	5.83	-109.41
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000520085	0	35	-2.0	-109.54	330.28	3.28	-106.26
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1C	REAL300000520086	1	38	-2.0	-117.18	341.61	6.32	-110.86
COC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=CS1	REAL300000520087	0	33	-2.0	-119.39	331.38	3.45	-115.94
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])O1	REAL300000520089	0	35	-2.0	-116.44	335.20	4.61	-111.83
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])S1	REAL300000520090	0	33	-2.0	-112.75	332.90	3.46	-109.29
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000520091	0	35	-2.0	-110.40	341.79	3.71	-106.69
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000520092	1	35	-2.0	-116.28	329.68	5.98	-110.30
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=N1	REAL300000520093	0	34	-2.0	-113.88	329.83	1.88	-112.00
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000520094	0	29	-2.0	-109.51	308.87	3.62	-105.89
CC1=COC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000520095	0	32	-2.0	-115.50	313.70	3.67	-111.83
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1Cl	REAL300000520096	0	32	-2.0	-109.27	328.97	3.07	-106.20
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])OC=C1	REAL300000520097	0	30	-2.0	-112.98	313.27	3.46	-109.52
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000520098	0	29	-2.0	-111.22	307.86	3.51	-107.71
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C=CO1	REAL300000520100	0	30	-2.0	-115.76	312.07	3.42	-112.34
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])SC=C1	REAL300000520101	0	30	-2.0	-111.51	321.17	4.34	-107.17
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(OC(F)(F)F)C=C1C(=O)[O-]	REAL300000520102	0	38	-2.0	-110.83	350.84	4.28	-106.55
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000520105	1	33	-2.0	-117.52	320.14	2.16	-115.36
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000520106	0	28	-2.0	-105.58	294.77	2.62	-102.96
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000520107	0	28	-2.0	-110.38	295.70	2.13	-108.25
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])=C1	REAL300000520108	0	35	-2.0	-122.29	336.03	5.74	-116.55
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000520136	0	38	-2.0	-118.57	356.93	6.58	-111.99
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000520159	0	36	-2.0	-107.31	327.04	4.64	-102.67
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000520192	0	42	-2.0	-114.01	388.02	0.91	-113.10
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000520193	0	35	-2.0	-129.94	336.07	2.36	-127.58
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=N1	REAL300000520194	0	43	-2.0	-132.15	391.17	3.43	-128.72
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000520195	0	35	-2.0	-120.68	331.53	2.34	-118.34
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000520196	0	35	-2.0	-133.18	331.54	2.33	-130.85
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=N1	REAL300000520197	0	39	-2.0	-139.78	359.69	2.13	-137.65
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000520198	0	39	-2.0	-120.39	363.01	3.62	-116.77
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000520199	0	38	-2.0	-137.31	347.56	2.86	-134.45
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000520200	0	35	-2.0	-129.10	344.62	2.89	-126.21
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000520201	0	35	-2.0	-128.64	344.04	2.72	-125.92
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000520202	0	41	-2.0	-136.51	364.21	3.67	-132.84
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000520203	0	35	-2.0	-131.54	337.02	2.39	-129.15
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000520204	0	41	-2.0	-119.68	375.13	3.92	-115.76
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000520205	0	32	-2.0	-127.21	324.74	1.35	-125.86
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000520206	0	38	-2.0	-134.31	346.98	3.10	-131.21
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000520207	0	39	-2.0	-118.84	362.60	2.61	-116.23
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000520208	0	36	-2.0	-131.48	338.19	1.67	-129.81
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000520209	0	39	-2.0	-134.42	355.75	1.14	-133.28
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300000520210	0	35	-2.0	-124.41	340.65	2.01	-122.40
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000520211	0	41	-2.0	-135.78	363.00	3.64	-132.14
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000520212	0	32	-2.0	-128.61	323.19	1.36	-127.25
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000520213	0	43	-2.0	-133.17	389.87	2.14	-131.03
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000520214	0	39	-2.0	-141.79	358.85	2.40	-139.39
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000520215	0	45	-2.0	-138.68	386.78	4.95	-133.73
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000520216	0	44	-2.0	-136.86	385.44	4.33	-132.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(=O)NC)C=C1	REAL300000520217	0	41	-2.0	-132.46	361.68	4.04	-128.42
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=N1	REAL300000520218	0	42	-2.0	-140.34	381.97	2.90	-137.44
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000520219	0	37	-3.0	-211.16	359.94	2.89	-208.27
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000520220	0	42	-2.0	-139.04	375.79	4.21	-134.83
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300000520221	0	35	-2.0	-126.63	334.55	1.47	-125.16
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000520222	0	41	-2.0	-140.47	373.72	2.10	-138.37
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=N1	REAL300000520223	0	39	-2.0	-135.98	360.47	1.43	-134.55
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000520224	0	43	-2.0	-121.44	385.18	2.95	-118.49
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000520225	0	35	-2.0	-125.12	349.14	2.91	-122.21
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=N1	REAL300000520226	0	42	-2.0	-119.27	382.70	3.32	-115.95
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000520227	0	38	-2.0	-124.33	352.26	3.14	-121.19
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000520228	0	39	-2.0	-118.08	368.85	2.68	-115.40
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(=O)NC)C=C2)C=C1C(=O)[O-]	REAL300000520229	0	42	-2.0	-142.44	380.70	3.30	-139.14
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300000520230	0	35	-2.0	-130.11	341.24	2.21	-127.90
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000520231	0	35	-2.0	-118.04	344.58	2.88	-115.16
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000520232	0	35	-2.0	-119.51	336.08	2.37	-117.14
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000520233	0	32	-2.0	-122.91	323.79	1.46	-121.45
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000520234	0	35	-2.0	-125.70	337.95	2.39	-123.31
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000520235	0	38	-2.0	-133.04	357.30	3.03	-130.01
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000520236	0	35	-2.0	-120.63	336.99	2.40	-118.23
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000520237	0	35	-2.0	-117.91	344.05	2.73	-115.18
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300000520238	0	38	-2.0	-126.12	360.99	3.53	-122.59
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000520239	0	43	-2.0	-116.69	395.29	3.74	-112.95
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000520240	0	35	-2.0	-121.19	342.36	2.42	-118.77
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000520241	0	37	-2.0	-119.26	359.73	3.00	-116.26
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000520242	0	36	-2.0	-133.63	341.26	0.05	-133.58
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000520243	0	38	-2.0	-125.11	353.73	3.11	-122.00
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000520244	0	35	-2.0	-122.81	352.25	2.86	-119.95
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000520245	0	38	-2.0	-130.84	341.61	2.96	-127.88
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000520246	0	38	-2.0	-131.45	356.37	2.98	-128.47
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000520247	0	38	-2.0	-120.50	346.95	3.09	-117.41
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000520248	0	41	-2.0	-136.61	365.01	3.41	-133.20
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000520249	0	37	-2.0	-129.88	358.08	3.42	-126.46
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000520250	0	35	-2.0	-122.77	343.28	2.45	-120.32
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000520251	0	41	-2.0	-135.41	364.94	3.73	-131.68
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000520252	0	38	-2.0	-132.82	353.02	2.93	-129.89
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=N1	REAL300000520253	0	38	-2.0	-131.01	363.31	3.45	-127.56
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=N1	REAL300000520254	0	38	-2.0	-140.49	356.58	3.02	-137.47
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(=O)NC)C=C2)C=C1C(=O)[O-]	REAL300000520255	0	41	-2.0	-138.15	365.87	3.52	-134.63
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=N1	REAL300000520256	0	42	-2.0	-137.27	382.02	2.46	-134.81
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=N1	REAL300000520257	0	38	-2.0	-123.65	357.81	3.51	-120.14
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000520258	0	38	-2.0	-130.54	362.76	3.29	-127.25
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC(=O)NC)C=C2)C=C1C(=O)[O-]	REAL300000520259	0	39	-2.0	-134.98	359.57	2.55	-132.43
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=N1	REAL300000520260	0	47	-2.0	-132.76	396.44	5.18	-127.58
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000520261	0	38	-2.0	-126.53	361.40	3.29	-123.24
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000520262	0	38	-2.0	-120.84	347.53	2.87	-117.97
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000520263	0	40	-2.0	-126.77	374.80	4.52	-122.25
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000520264	0	38	-2.0	-131.32	351.08	3.17	-128.15
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000520265	0	37	-2.0	-142.87	355.29	4.18	-138.69
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000520266	0	35	-2.0	-139.62	335.20	2.36	-137.26
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000520267	0	38	-2.0	-124.76	352.71	2.90	-121.86
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000520268	0	41	-2.0	-144.84	372.59	4.45	-140.39
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000520269	0	34	-2.0	-131.82	328.53	0.38	-131.44
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300000520270	0	39	-2.0	-125.49	359.75	2.14	-123.35
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000520271	0	32	-2.0	-120.45	331.68	1.30	-119.15
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000520272	0	42	-2.0	-127.29	377.66	4.22	-123.07
CNC(=O)CN1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000520273	0	42	-2.0	-131.12	376.98	4.22	-126.90
CCC1=C(S(=O)(=O)[N-]C2=NN(CC(=O)NC)C=C2)C=C(C(=O)[O-])O1	REAL300000520274	0	38	-2.0	-126.51	353.67	2.32	-124.19
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=NN1CCO	REAL300000520275	0	42	-2.0	-99.06	382.59	0.34	-98.72
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1CCO	REAL300000520276	0	35	-2.0	-115.59	330.67	1.77	-113.82
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCO)C(C)=C1	REAL300000520277	0	43	-2.0	-117.61	385.76	2.84	-114.77
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1CCO	REAL300000520278	0	35	-2.0	-105.55	325.27	1.73	-103.82
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1CCO	REAL300000520279	0	35	-2.0	-118.88	326.14	1.74	-117.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCO)C(C)=C1	REAL300000520280	0	39	-2.0	-124.92	354.28	1.55	-123.37
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1CCO	REAL300000520281	0	39	-2.0	-105.18	357.59	3.05	-102.13
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1CCO	REAL300000520282	0	38	-2.0	-121.34	346.21	2.40	-118.94
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NN1CCO	REAL300000520283	0	35	-2.0	-114.51	339.21	2.31	-112.20
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN1CCO	REAL300000520284	0	35	-2.0	-114.12	338.64	2.14	-111.98
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=NN1CCO	REAL300000520285	0	35	-2.0	-109.94	351.70	2.69	-107.25
CC1=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)=NN1CCO	REAL300000520286	0	41	-2.0	-121.97	359.24	3.06	-118.91
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1CCO	REAL300000520287	0	35	-2.0	-116.34	331.61	1.81	-114.53
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1CCO	REAL300000520288	0	41	-2.0	-104.66	369.70	3.34	-101.32
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1CCO	REAL300000520289	0	32	-2.0	-112.70	319.32	0.77	-111.93
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1CCO	REAL300000520290	0	38	-2.0	-120.05	341.57	2.53	-117.52
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NN1CCO	REAL300000520291	0	39	-2.0	-103.91	357.21	2.04	-101.87
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1CCO	REAL300000520292	0	36	-2.0	-116.84	331.94	1.06	-115.78
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NN1CCO	REAL300000520293	0	39	-2.0	-120.34	350.35	0.55	-119.79
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1CCO	REAL300000520294	0	35	-2.0	-108.45	335.25	1.44	-107.01
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=NN1CCO	REAL300000520295	0	41	-2.0	-121.43	357.58	3.05	-118.38
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1CCO	REAL300000520296	0	32	-2.0	-114.23	316.94	0.74	-113.49
COC1=CC(S(=O)(=O)[N-]C2=NN(CCO)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000520297	0	43	-2.0	-118.95	384.45	1.55	-117.40
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCO)C(C)=C2)C=C1C(=O)[O-]	REAL300000520298	0	39	-2.0	-124.34	353.42	1.81	-122.53
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=NN1CCO	REAL300000520299	0	45	-2.0	-124.25	381.38	4.37	-119.88
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=NN1CCO	REAL300000520300	0	44	-2.0	-122.49	380.03	3.75	-118.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCO)C(C)=C1	REAL300000520301	0	41	-2.0	-118.32	356.28	3.48	-114.84
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCO)C(C)=C1	REAL300000520302	0	42	-2.0	-125.37	376.57	2.31	-123.06
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=NN1CCO	REAL300000520303	0	37	-3.0	-193.92	353.69	2.28	-191.64
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=NN1CCO	REAL300000520304	0	42	-2.0	-124.15	369.53	3.61	-120.54
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1CCO	REAL300000520305	0	35	-2.0	-112.30	329.14	0.90	-111.40
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=NN1CCO	REAL300000520306	0	41	-2.0	-123.60	368.30	1.52	-122.08
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=NN1CCO	REAL300000520307	0	39	-2.0	-119.30	355.12	0.84	-118.46
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=NN1CCO	REAL300000520308	0	43	-2.0	-105.38	378.92	2.35	-103.03
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=NN1CCO	REAL300000520309	0	35	-2.0	-107.92	353.81	2.59	-105.33
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=NN1CCO	REAL300000520310	0	35	-2.0	-110.89	343.73	2.33	-108.56
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=NN1CCO	REAL300000520311	0	39	-2.0	-102.15	373.23	2.57	-99.58
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=NN1CCO	REAL300000520312	0	42	-2.0	-104.45	376.44	2.71	-101.74
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NN1CCO	REAL300000520313	0	38	-2.0	-110.08	346.85	2.55	-107.53
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=NN1CCO	REAL300000520314	0	48	-2.0	-104.49	419.73	3.66	-100.83
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=NN1CCO	REAL300000520315	0	39	-2.0	-103.06	363.43	2.09	-100.97
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CCO)C(C)=C2)C=C1C(=O)[O-]	REAL300000520316	0	42	-2.0	-125.39	375.27	2.72	-122.67
CC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1CCO	REAL300000520317	0	35	-2.0	-116.14	334.76	1.63	-114.51
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=NN1CCO	REAL300000520318	0	35	-2.0	-107.97	354.37	2.76	-105.21
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NN1CCO	REAL300000520319	0	35	-2.0	-102.92	339.19	2.30	-100.62
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1CCO	REAL300000520320	0	35	-2.0	-104.69	330.65	1.78	-102.91
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1CCO	REAL300000520321	0	32	-2.0	-107.17	318.39	0.88	-106.29
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1CCO	REAL300000520322	0	35	-2.0	-108.98	332.54	1.81	-107.17
CC1=CC([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)=NN1CCO	REAL300000520323	0	38	-2.0	-117.82	351.89	2.46	-115.36
COC1=CC(S(=O)(=O)[N-]C2=NN(CCO)C(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000520324	0	39	-2.0	-107.44	366.44	2.37	-105.07
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1CCO	REAL300000520325	0	35	-2.0	-104.95	331.60	1.82	-103.13
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1CCO	REAL300000520326	0	35	-2.0	-102.94	338.62	2.15	-100.79
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=NN1CCO	REAL300000520327	0	38	-2.0	-111.89	355.58	2.94	-108.95
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=NN1CCO	REAL300000520328	0	43	-2.0	-101.84	389.87	3.17	-98.67
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NN1CCO	REAL300000520329	0	35	-2.0	-107.13	336.96	1.84	-105.29
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=NN1CCO	REAL300000520330	0	37	-2.0	-103.14	354.32	2.41	-100.73
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1CCO	REAL300000520331	0	36	-2.0	-118.88	335.85	-0.53	-119.41
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1CCO	REAL300000520332	0	38	-2.0	-109.69	348.30	2.54	-107.15
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=NN1CCO	REAL300000520333	0	35	-2.0	-108.68	346.84	2.27	-106.41
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1CCO	REAL300000520334	0	38	-2.0	-114.59	335.36	2.35	-112.24
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)=NN1CCO	REAL300000520335	0	38	-2.0	-117.34	350.97	2.39	-114.95
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1CCO	REAL300000520336	0	38	-2.0	-105.69	340.70	2.49	-103.20
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=NN1CCO	REAL300000520337	0	41	-2.0	-123.05	362.94	2.92	-120.13
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=NN1CCO	REAL300000520338	0	37	-2.0	-115.91	352.70	2.83	-113.08
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NN1CCO	REAL300000520339	0	35	-2.0	-107.54	337.87	1.88	-105.66
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1CCO	REAL300000520340	0	41	-2.0	-118.50	360.62	3.12	-115.38
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=NN1CCO	REAL300000520341	0	38	-2.0	-117.61	347.61	2.34	-115.27
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)=NN1CCO	REAL300000520342	0	38	-2.0	-116.40	357.90	2.88	-113.52
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=NN1CCO	REAL300000520343	0	38	-2.0	-123.10	351.17	2.45	-120.65
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CCO)C(C)=C2)C=C1C(=O)[O-]	REAL300000520344	0	41	-2.0	-120.92	359.57	2.90	-118.02
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CCO)C(C)=C2)C=C1CC(=O)[O-]	REAL300000520345	0	42	-2.0	-120.35	376.60	1.88	-118.47
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=NN1CCO	REAL300000520346	0	38	-2.0	-107.64	351.55	2.90	-104.74
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=NN1CCO	REAL300000520347	0	38	-2.0	-101.86	356.25	2.56	-99.30
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)=NN1CCO	REAL300000520348	0	38	-2.0	-116.29	357.36	2.70	-113.59
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCO)C(C)=C2)C=C1C(=O)[O-]	REAL300000520349	0	39	-2.0	-118.37	354.16	1.97	-116.40
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=NN1CCO	REAL300000520350	0	47	-2.0	-118.30	391.04	4.59	-113.71
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=NN1CCO	REAL300000520351	0	35	-2.0	-105.84	350.89	2.27	-103.57
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=NN1CCO	REAL300000520352	0	38	-2.0	-111.99	356.00	2.71	-109.28
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=NN1CCO	REAL300000520353	0	44	-2.0	-115.69	375.57	3.83	-111.86
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(CCO)C(C)=C2)C=C1C(=O)[O-]	REAL300000520354	0	39	-2.0	-120.09	366.46	2.37	-117.72
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1CCO	REAL300000520355	0	38	-2.0	-107.26	346.19	2.39	-104.87
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=NN1CCO	REAL300000520356	0	40	-2.0	-110.84	369.40	3.93	-106.91
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NN1CCO	REAL300000520357	0	38	-2.0	-117.02	346.09	2.56	-114.46
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=NN1CCO	REAL300000520358	0	37	-2.0	-125.17	349.87	3.62	-121.55
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1CCO	REAL300000520359	0	35	-2.0	-122.68	328.95	1.75	-120.93
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NN1CCO	REAL300000520360	0	38	-2.0	-110.24	347.30	2.32	-107.92
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=NN1CCO	REAL300000520361	0	41	-2.0	-126.92	367.17	3.85	-123.07
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1CCO	REAL300000520362	0	34	-2.0	-116.44	322.35	-0.13	-116.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CCO)C(C)=C1	REAL300000520363	0	39	-2.0	-110.17	354.34	1.56	-108.61
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1CCO	REAL300000520364	0	32	-2.0	-105.82	326.24	0.72	-105.10
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=NN1CCO	REAL300000520365	0	42	-2.0	-112.71	372.26	3.63	-109.08
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=NN1CCO	REAL300000520366	0	42	-2.0	-115.99	370.73	3.60	-112.39
CCC1=C(S(=O)(=O)[N-]C2=NN(CCO)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000520367	0	38	-2.0	-112.20	348.26	1.75	-110.45
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000520368	0	36	-2.0	-113.09	330.28	2.70	-110.39
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000520369	0	36	-2.0	-102.43	325.72	2.68	-99.75
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000520370	0	36	-2.0	-113.39	325.74	2.67	-110.72
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000520371	0	40	-2.0	-117.85	353.88	2.35	-115.50
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000520372	0	40	-2.0	-101.35	357.19	3.97	-97.38
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000520373	0	39	-2.0	-116.79	341.76	3.20	-113.59
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000520374	0	36	-2.0	-108.14	338.82	3.21	-104.93
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000520375	0	36	-2.0	-111.42	338.26	3.06	-108.36
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000520376	0	42	-2.0	-115.13	358.41	4.01	-111.12
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000520377	0	36	-2.0	-110.24	331.21	2.73	-107.51
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000520378	0	42	-2.0	-100.19	369.33	4.26	-95.93
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000520379	0	33	-2.0	-108.34	318.93	1.72	-106.62
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000520380	0	39	-2.0	-112.92	341.18	3.41	-109.51
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000520381	0	40	-2.0	-100.00	356.81	2.95	-97.05
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000520382	0	37	-2.0	-112.28	332.39	2.05	-110.23
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000520383	0	40	-2.0	-113.55	349.52	1.48	-112.07
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000520384	0	36	-2.0	-105.71	334.85	2.39	-103.32
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000520385	0	42	-2.0	-114.12	357.19	3.94	-110.18
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000520386	0	33	-2.0	-111.12	317.40	1.73	-109.39
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000520387	0	40	-2.0	-121.54	353.03	2.75	-118.79
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000520388	0	45	-2.0	-114.93	379.65	4.67	-110.26
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)NC)=CC=C1O	REAL300000520389	0	42	-2.0	-110.90	355.87	4.35	-106.55
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000520390	0	43	-2.0	-117.17	376.17	3.13	-114.04
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000520391	0	38	-3.0	-192.05	354.15	3.24	-188.81
CNC(=O)C1=CC=C(O)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000520391	1	39	-2.0	-118.94	361.25	1.01	-117.93
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000520392	0	43	-2.0	-117.28	369.98	4.56	-112.72
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000520393	0	36	-2.0	-107.34	328.75	1.82	-105.52
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000520394	0	40	-2.0	-118.01	354.66	1.64	-116.37
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000520395	0	43	-2.0	-100.46	376.90	3.66	-96.80
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000520396	0	39	-2.0	-104.27	346.45	3.44	-100.83
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000520397	0	40	-2.0	-99.77	363.05	3.01	-96.76
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)NC)=CC=C2O)C=C1C(=O)[O-]	REAL300000520398	0	43	-2.0	-122.28	374.89	3.66	-118.62
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000520399	0	36	-2.0	-109.76	335.44	2.56	-107.20
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000520400	0	36	-2.0	-99.95	338.79	3.21	-96.74
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000520401	0	36	-2.0	-102.18	330.27	2.73	-99.45
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000520402	0	33	-2.0	-104.42	318.00	1.84	-102.58
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000520403	0	36	-2.0	-106.33	332.16	2.73	-103.60
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000520404	0	39	-2.0	-111.74	351.50	3.37	-108.37
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000520405	0	36	-2.0	-102.37	331.20	2.74	-99.63
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000520406	0	36	-2.0	-100.10	338.24	3.07	-97.03
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000520407	0	39	-2.0	-105.80	355.18	3.84	-101.96
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000520408	0	36	-2.0	-102.99	336.57	2.77	-100.22
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000520409	0	38	-2.0	-100.33	353.94	3.35	-96.98
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000520410	0	37	-2.0	-111.49	335.44	0.28	-111.21
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000520411	0	39	-2.0	-104.80	347.93	3.45	-101.35
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000520412	0	39	-2.0	-112.42	335.78	3.27	-109.15
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000520413	0	39	-2.0	-114.60	350.58	3.33	-111.27
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000520414	0	39	-2.0	-102.25	341.16	3.40	-98.85
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000520415	0	42	-2.0	-116.55	359.20	3.76	-112.79
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000520416	0	38	-2.0	-114.24	352.32	3.75	-110.49
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000520417	0	36	-2.0	-102.60	337.50	2.80	-99.80
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000520418	0	42	-2.0	-116.97	359.27	4.07	-112.90
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000520419	0	39	-2.0	-112.64	351.06	3.36	-109.28
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000520420	0	39	-2.0	-109.98	357.50	3.79	-106.19
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000520421	0	39	-2.0	-121.87	350.78	3.36	-118.51
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)NC)=CC=C2O)C=C1C(=O)[O-]	REAL300000520422	0	42	-2.0	-117.52	360.07	3.85	-113.67
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000520423	0	43	-2.0	-115.77	376.22	2.79	-112.98
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000520424	0	39	-2.0	-105.41	352.01	3.84	-101.57
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000520425	0	39	-2.0	-113.30	356.97	3.63	-109.67
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)NC)=CC=C2O)C=C1C(=O)[O-]	REAL300000520426	0	40	-2.0	-115.27	353.70	2.91	-112.36
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000520427	0	39	-2.0	-108.36	359.52	3.74	-104.62
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000520428	0	39	-2.0	-102.51	341.75	3.21	-99.30
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000520429	0	39	-2.0	-110.81	345.28	3.50	-107.31
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000520430	0	38	-2.0	-124.12	349.47	4.39	-119.73
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000520431	0	36	-2.0	-120.98	329.37	2.69	-118.29
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000520432	0	39	-2.0	-106.61	350.70	3.35	-103.26
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000520433	0	35	-2.0	-112.98	321.95	0.81	-112.17
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000520434	0	40	-2.0	-106.56	353.95	2.35	-104.21
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000520435	0	33	-2.0	-101.93	325.84	1.67	-100.26
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000520436	0	43	-2.0	-107.61	371.86	4.54	-103.07
CNC(=O)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000520437	0	43	-2.0	-113.19	369.83	4.53	-108.66
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)NC)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000520438	0	39	-2.0	-106.93	347.86	2.66	-104.27
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1	REAL300000520439	1	37	-2.0	-85.73	353.51	3.49	-82.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=CC=C1F	REAL300000520440	1	30	-2.0	-102.00	301.57	4.93	-97.07
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CSN=C2C=C1	REAL300000520441	0	38	-2.0	-102.75	356.66	5.99	-96.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1	REAL300000520442	1	30	-2.0	-92.34	297.03	4.91	-87.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1	REAL300000520443	1	30	-2.0	-104.37	297.04	4.91	-99.46
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CSN=C2C=C1	REAL300000520444	0	34	-2.0	-109.65	325.18	4.70	-104.95
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1	REAL300000520445	1	34	-2.0	-91.72	328.50	6.19	-85.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1C(=O)[O-]	REAL300000520446	1	33	-2.0	-105.41	313.06	5.43	-99.98
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1	REAL300000520447	0	30	-2.0	-100.04	310.11	5.47	-94.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=CC=C1Cl	REAL300000520448	1	30	-2.0	-100.27	309.54	5.29	-94.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1C	REAL300000520449	1	36	-2.0	-107.14	329.44	6.22	-100.92
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1	REAL300000520450	0	30	-2.0	-101.66	302.52	4.96	-96.70
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1	REAL300000520451	1	36	-2.0	-90.92	340.62	6.49	-84.43
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1	REAL300000520452	0	27	-2.0	-98.73	290.22	3.93	-94.80
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CSN=C2C=C1	REAL300000520453	1	33	-2.0	-105.29	312.47	5.69	-99.60
CN1C=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1C(=O)[O-]	REAL300000520455	0	31	-2.0	-102.76	303.68	4.26	-98.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1	REAL300000520457	0	30	-2.0	-95.11	306.15	4.58	-90.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=CS1	REAL300000520459	0	27	-2.0	-100.10	288.69	3.95	-96.15
COC1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=CC(C(=O)[O-])=C1OC	REAL300000520460	1	38	-2.0	-104.71	355.35	4.72	-99.99
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1	REAL300000520462	1	40	-2.0	-109.06	352.29	7.53	-101.53
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CSN=C2C=C1	REAL300000520463	1	39	-2.0	-107.38	350.95	6.93	-100.45
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CSN=C2C=C1	REAL300000520464	1	36	-2.0	-103.62	327.19	6.63	-96.99
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CSN=C2C=C1	REAL300000520465	0	37	-2.0	-109.93	347.47	5.46	-104.47
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=CSN=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000520466	0	33	-2.0	-110.81	327.99	5.47	-105.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000520466	1	32	-3.0	-179.57	325.44	5.47	-174.10
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1	REAL300000520467	1	37	-2.0	-109.45	341.28	6.80	-102.65
CC1=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C(C(=O)[O-])O1	REAL300000520468	0	30	-2.0	-98.62	300.05	4.05	-94.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=CC2=C1OCCO2	REAL300000520469	1	36	-2.0	-109.07	339.22	4.67	-104.40
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1	REAL300000520470	0	34	-2.0	-105.38	326.03	3.98	-101.40
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC4=CSN=C4C=C3)C=C2C1	REAL300000520471	1	38	-2.0	-91.61	350.67	5.52	-86.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C(Cl)C=C1F	REAL300000520472	0	30	-2.0	-96.84	314.63	5.49	-91.35
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1Cl	REAL300000520473	1	34	-2.0	-89.02	344.14	5.72	-83.30
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CSN=C2C=C1	REAL300000520475	1	33	-2.0	-96.03	317.75	5.72	-90.31
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1F	REAL300000520476	1	34	-2.0	-89.99	334.33	5.25	-84.74
CC1=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C(C(=O)[O-])S1	REAL300000520478	0	30	-2.0	-101.72	306.73	4.79	-96.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C(Cl)=C1	REAL300000520479	0	30	-2.0	-89.83	310.09	5.47	-84.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1F	REAL300000520480	1	30	-2.0	-91.90	301.57	4.94	-86.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)S1	REAL300000520481	0	27	-2.0	-93.83	289.31	4.03	-89.80
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1	REAL300000520482	1	30	-2.0	-95.41	303.44	4.96	-90.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1F	REAL300000520483	0	33	-2.0	-103.04	322.80	5.60	-97.44
COC1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000520484	0	34	-2.0	-94.51	337.35	5.54	-88.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C(F)=C1	REAL300000520485	0	30	-2.0	-91.66	302.50	4.98	-86.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1Cl	REAL300000520486	1	30	-2.0	-89.89	309.55	5.30	-84.59
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CSN=C2C=C1	REAL300000520487	1	33	-2.0	-97.65	326.48	6.11	-91.54
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1	REAL300000520488	1	38	-2.0	-88.50	360.78	6.31	-82.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=CC(F)=C1F	REAL300000520489	1	30	-2.0	-93.72	307.86	5.00	-88.72
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1	REAL300000520490	0	32	-2.0	-89.61	325.23	5.57	-84.04
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1	REAL300000520491	0	31	-2.0	-104.36	306.75	2.62	-101.74
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=CSN=C3C=C2)=C1	REAL300000520491	1	31	-2.0	-103.64	295.83	3.51	-100.13
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1	REAL300000520492	1	33	-2.0	-96.16	319.22	5.68	-90.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=CC(Cl)=C1F	REAL300000520493	1	30	-2.0	-95.06	317.74	5.43	-89.63
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=CSN=C2C=C1	REAL300000520494	1	33	-2.0	-100.48	307.11	5.54	-94.94
CC1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=CC(C(=O)[O-])=C1F	REAL300000520495	1	33	-2.0	-103.30	321.87	5.55	-97.75
CC1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=CC(C(=O)[O-])=C1C	REAL300000520497	1	36	-2.0	-108.68	334.54	6.10	-102.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=CC=C1[N+](=O)[O-]	REAL300000520498	0	32	-2.0	-103.05	323.59	6.00	-97.05
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1	REAL300000520499	0	30	-2.0	-93.42	308.80	5.02	-88.40
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1C(=O)[O-]	REAL300000520501	0	33	-2.0	-103.91	322.35	5.59	-98.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1Cl	REAL300000520502	0	33	-2.0	-101.75	328.80	6.04	-95.71
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1	REAL300000520503	0	33	-2.0	-109.11	322.07	5.59	-103.52
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1C(=O)[O-]	REAL300000520504	1	36	-2.0	-106.15	330.98	6.08	-100.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1CC(=O)[O-]	REAL300000520505	1	37	-2.0	-105.92	347.50	5.03	-100.89
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=CSN=C2C=C1	REAL300000520506	1	33	-2.0	-93.92	323.30	6.10	-87.82
CC1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000520507	1	33	-2.0	-102.03	328.26	5.86	-96.17
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1C(=O)[O-]	REAL300000520508	0	34	-2.0	-103.95	325.07	5.13	-98.82
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1C(=O)[O-]	REAL300000520510	1	33	-2.0	-98.85	330.78	5.97	-92.88
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C(C(=O)[O-])S1	REAL300000520511	0	39	-2.0	-101.22	346.48	7.04	-94.18
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1C(=O)[O-]	REAL300000520512	0	34	-2.0	-105.51	337.37	5.54	-99.97
CC1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=CC=C1C(=O)[O-]	REAL300000520513	1	33	-2.0	-92.40	313.05	5.44	-86.96
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C([N+](=O)[O-])=C1	REAL300000520514	0	35	-2.0	-96.81	340.30	7.09	-89.72
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CSN=C2C=C1	REAL300000520515	1	33	-2.0	-102.82	317.00	5.72	-97.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1[N+](=O)[O-]	REAL300000520516	0	32	-2.0	-111.58	320.78	6.76	-104.82
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1F	REAL300000520517	0	30	-2.0	-108.35	300.70	4.93	-103.42
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C1C(=O)[O-]	REAL300000520518	1	33	-2.0	-97.15	321.98	5.58	-91.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=CC2=CC=CC=C21	REAL300000520519	1	36	-2.0	-112.43	338.08	7.03	-105.40
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C1	REAL300000520520	0	29	-2.0	-101.36	294.03	2.96	-98.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=CSN=C2C=C1	REAL300000520521	0	34	-2.0	-96.28	325.24	4.70	-91.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)=C(Cl)O1	REAL300000520522	0	27	-2.0	-92.36	297.19	3.89	-88.47
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC4=CSN=C4C=C3)C=C2)CC1	REAL300000520523	1	37	-2.0	-98.66	343.16	6.79	-91.87
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC4=CSN=C4C=C3)C=C2C1	REAL300000520524	1	37	-2.0	-101.76	342.48	6.79	-94.97
CCC1=C(S(=O)(=O)[N-]C2=CC3=CSN=C3C=C2)C=C(C(=O)[O-])O1	REAL300000520525	0	33	-2.0	-98.43	319.17	4.90	-93.53
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1	REAL300000520534	1	36	-2.0	-94.46	341.89	1.59	-92.87
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CC=C1F	REAL300000520535	1	29	-2.0	-105.09	290.04	3.03	-102.06
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C([O-])=C1F	REAL300000520536	1	37	-2.0	-98.85	342.88	4.12	-94.73
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1	REAL300000520537	1	29	-2.0	-99.91	285.40	3.01	-96.90
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=C1	REAL300000520538	1	29	-2.0	-104.30	285.52	3.00	-101.30
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C([O-])=C1F	REAL300000520539	1	33	-2.0	-100.99	311.42	2.81	-98.18
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1	REAL300000520540	1	33	-2.0	-99.05	316.86	4.30	-94.75
CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1C(=O)[O-]	REAL300000520541	1	32	-2.0	-105.63	302.09	3.58	-102.05
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=C1	REAL300000520542	1	29	-2.0	-95.37	297.51	3.18	-92.19
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CC=C1Cl	REAL300000520543	1	29	-2.0	-102.06	298.02	3.40	-98.66
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=C(Cl)C=C1Cl	REAL300000520544	1	29	-2.0	-92.36	309.99	3.57	-88.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=C1C	REAL300000520545	1	35	-2.0	-102.97	316.36	3.95	-99.02
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1	REAL300000520547	1	35	-2.0	-96.25	329.07	4.60	-91.65
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(F)C([O-])=C2F)=C1	REAL300000520548	0	25	-3.0	-188.63	274.14	2.19	-186.44
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C([O-])=C1F	REAL300000520549	1	32	-2.0	-101.52	301.89	3.86	-97.66
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1	REAL300000520550	1	33	-2.0	-98.11	316.54	3.29	-94.82
CN1C=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1C(=O)[O-]	REAL300000520551	1	30	-2.0	-104.48	293.77	2.40	-102.08
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C([O-])=C1F	REAL300000520552	1	33	-2.0	-103.48	310.67	1.90	-101.58
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C([O-])=C2F)=C1	REAL300000520553	0	28	-3.0	-183.55	290.06	2.86	-180.69
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1C(=O)[O-]	REAL300000520554	1	35	-2.0	-101.39	317.94	4.41	-96.98
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CS1	REAL300000520555	1	26	-2.0	-102.43	278.49	2.08	-100.35
COC1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CC(C(=O)[O-])=C1OC	REAL300000520556	1	37	-2.0	-107.10	343.79	2.82	-104.28
COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1C(=O)[O-]	REAL300000520557	1	33	-2.0	-110.25	312.77	3.07	-107.18
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=C1	REAL300000520558	1	39	-2.0	-102.28	338.56	5.23	-97.05
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C([O-])=C1F	REAL300000520559	1	38	-2.0	-101.76	338.16	4.63	-97.13
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C([O-])=C1F	REAL300000520560	1	35	-2.0	-101.24	319.45	4.72	-96.52
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C([O-])=C1F	REAL300000520561	1	36	-2.0	-105.67	333.81	3.59	-102.08
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C(O)=C2F)=C1	REAL300000520562	0	32	-2.0	-107.47	317.44	2.80	-104.67
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=C1	REAL300000520562	1	31	-3.0	-175.07	313.86	3.57	-171.50
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=C1	REAL300000520563	1	36	-2.0	-102.86	328.11	4.51	-98.35
CC1=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C(C(=O)[O-])O1	REAL300000520564	1	29	-2.0	-97.69	287.94	1.74	-95.95
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CC2=C1OCCO2	REAL300000520565	1	35	-2.0	-109.00	327.64	2.78	-106.22
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=C1	REAL300000520566	1	33	-2.0	-100.95	313.02	1.68	-99.27
O=C([O-])C1COC2=CC=C(S(=O)(=O)NC3=CC=C(F)C([O-])=C3F)C=C2C1	REAL300000520567	1	37	-2.0	-95.78	338.49	3.61	-92.17
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CC(Cl)=C1Cl	REAL300000520568	1	29	-2.0	-97.09	313.17	3.84	-93.25
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=C(Cl)C=C1F	REAL300000520569	1	29	-2.0	-94.68	302.02	3.22	-91.46
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1Cl	REAL300000520570	1	33	-2.0	-98.11	332.63	3.82	-94.29
CC1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CC=C1OCC(=O)[O-]	REAL300000520571	1	36	-2.0	-98.29	336.68	4.00	-94.29
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C([O-])=C1F	REAL300000520572	1	32	-2.0	-96.15	307.06	3.89	-92.26
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1F	REAL300000520573	1	33	-2.0	-100.05	322.83	3.35	-96.70
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1C(=O)[O-]	REAL300000520574	1	36	-2.0	-112.41	334.63	3.98	-108.43
CC1=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C(C(=O)[O-])S1	REAL300000520575	1	29	-2.0	-99.86	293.96	2.51	-97.35
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=C1	REAL300000520576	1	29	-2.0	-90.33	312.63	3.64	-86.69
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C(Cl)=C1	REAL300000520577	1	29	-2.0	-90.21	297.44	3.18	-87.03
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1F	REAL300000520578	1	29	-2.0	-101.42	289.98	3.04	-98.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C([O-])=C2F)S1	REAL300000520579	0	25	-3.0	-181.94	273.21	2.29	-179.65
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=C1	REAL300000520580	1	29	-2.0	-98.97	291.88	3.07	-95.90
COC1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=C(Cl)C=C1C(=O)[O-]	REAL300000520582	1	33	-2.0	-94.19	324.73	3.25	-90.94
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1Cl	REAL300000520584	1	29	-2.0	-98.06	297.96	3.40	-94.66
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C([O-])=C1F	REAL300000520585	1	32	-2.0	-96.78	315.92	4.27	-92.51
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1	REAL300000520586	1	37	-2.0	-96.78	349.15	4.41	-92.37
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CC(F)=C1F	REAL300000520587	1	29	-2.0	-99.33	296.30	3.10	-96.23
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=C1	REAL300000520588	0	31	-2.0	-94.68	313.71	3.67	-91.01
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1	REAL300000520590	1	32	-2.0	-96.07	307.67	3.79	-92.28
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CC(Cl)=C1F	REAL300000520591	1	29	-2.0	-99.46	306.19	3.53	-95.93
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(F)C([O-])=C1F	REAL300000520592	1	32	-2.0	-106.78	296.40	3.72	-103.06
CC1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CC(C(=O)[O-])=C1F	REAL300000520593	1	32	-2.0	-107.32	310.28	3.65	-103.67
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(F)C([O-])=C1F	REAL300000520594	1	32	-2.0	-100.14	301.86	3.87	-96.27
CC1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CC(C(=O)[O-])=C1C	REAL300000520595	1	35	-2.0	-105.26	318.01	4.05	-101.21
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CC=C1[N+](=O)[O-]	REAL300000520596	1	31	-2.0	-110.41	312.13	4.10	-106.31
CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C(C)=C1C(=O)[O-]	REAL300000520598	1	35	-2.0	-111.72	320.33	4.45	-107.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=C1Cl	REAL300000520600	1	32	-2.0	-95.96	316.16	3.75	-92.21
CCC1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1C(=O)[O-]	REAL300000520602	1	35	-2.0	-105.49	319.71	4.19	-101.30
COC1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1CC(=O)[O-]	REAL300000520603	1	36	-2.0	-112.89	336.00	3.14	-109.75
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=C(F)C([O-])=C1F	REAL300000520604	1	32	-2.0	-91.53	309.51	3.79	-87.74
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1C(F)(F)F	REAL300000520605	1	32	-2.0	-98.14	315.59	3.81	-94.33
CC1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CC(C(=O)[O-])=C1Cl	REAL300000520606	1	32	-2.0	-104.26	316.67	3.96	-100.30
CCN1C=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1C(=O)[O-]	REAL300000520607	1	33	-2.0	-106.91	315.15	3.27	-103.64
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C(C)=C1CC(=O)[O-]	REAL300000520608	1	41	-2.0	-98.40	344.72	5.28	-93.12
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1C(=O)[O-]	REAL300000520610	1	32	-2.0	-98.07	315.12	3.94	-94.13
CC(C)(C)C1=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C(C(=O)[O-])S1	REAL300000520611	1	38	-2.0	-118.47	338.39	4.71	-113.76
COC1=CC(Cl)=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1C(=O)[O-]	REAL300000520612	1	33	-2.0	-100.91	324.75	3.27	-97.64
CC1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CC=C1C(=O)[O-]	REAL300000520613	1	32	-2.0	-99.04	301.40	3.53	-95.51
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C([O-])=C2F)C([N+](=O)[O-])=C1	REAL300000520614	0	33	-3.0	-189.76	324.20	5.34	-184.42
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(F)C([O-])=C1F	REAL300000520615	1	32	-2.0	-102.31	303.43	3.42	-98.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C([O-])=C2F)=C1[N+](=O)[O-]	REAL300000520616	0	30	-3.0	-203.50	304.67	5.02	-198.48
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C1C(=O)[O-]	REAL300000520618	1	32	-2.0	-97.46	306.44	3.56	-93.90
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)=CC2=CC=CC=C21	REAL300000520619	1	35	-2.0	-111.32	325.96	5.11	-106.21
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C([O-])=C2F)=C1	REAL300000520620	0	27	-3.0	-194.58	277.16	1.29	-193.29
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(F)C(O)=C2F)=C1	REAL300000520620	1	28	-2.0	-99.13	285.14	0.42	-98.71
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(F)C([O-])=C1F	REAL300000520621	1	33	-2.0	-103.36	311.44	2.82	-100.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C([O-])=C2F)=C(Cl)O1	REAL300000520622	0	25	-3.0	-180.61	281.05	2.14	-178.47
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3=CC=C(F)C([O-])=C3F)C=C2)CC1	REAL300000520623	1	36	-2.0	-104.84	330.08	4.85	-99.99
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3=CC=C(F)C([O-])=C3F)C=C2C1	REAL300000520624	1	36	-2.0	-113.23	329.64	4.88	-108.35
CCC1=C(S(=O)(=O)NC2=CC=C(F)C([O-])=C2F)C=C(C(=O)[O-])O1	REAL300000520625	1	32	-2.0	-97.01	308.36	2.54	-94.47
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C2=CC=CC=C21	REAL300000520630	0	41	-2.0	-91.24	348.88	7.61	-83.63
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000520636	0	41	-2.0	-104.68	348.42	8.50	-96.18
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300000520641	0	41	-2.0	-95.18	343.90	8.48	-86.70
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000520646	0	41	-2.0	-104.55	343.89	8.46	-96.09
CC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000520666	0	44	-2.0	-104.40	359.65	8.98	-95.42
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=CC=CC=C21	REAL300000520688	0	41	-2.0	-94.54	350.64	8.58	-85.96
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=CC=C21	REAL300000520695	0	38	-2.0	-95.57	337.39	7.52	-88.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C2=CC=CC=C21	REAL300000520698	0	44	-2.0	-99.79	353.75	8.96	-90.83
CN1C=C(S(=O)(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000520719	0	42	-2.0	-102.84	350.99	7.80	-95.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)=C1	REAL300000520734	0	41	-2.0	-96.08	353.28	8.19	-87.89
O=C([O-])CC1CCN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000520747	0	38	-2.0	-97.32	335.59	7.51	-89.81
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)=C1	REAL300000520753	1	42	-2.0	-105.00	343.95	7.21	-97.79
CC1=C(S(=O)(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000520758	0	41	-2.0	-96.57	348.93	7.74	-88.83
CC1=C(S(=O)(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300000520798	0	41	-2.0	-98.39	350.42	8.26	-90.13
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O=C([O-])CC1CCN(S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000520831	0	41	-2.0	-96.72	350.29	8.53	-88.19
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=CC=CC=C21	REAL300000520833	0	41	-2.0	-93.26	350.62	8.58	-84.68
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000520846	0	41	-3.0	-171.44	350.81	7.14	-164.30
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=CC=CC=C21	REAL300000520846	1	42	-2.0	-98.57	351.42	6.42	-92.15
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)C=C1	REAL300000520848	0	44	-2.0	-95.61	366.08	9.24	-86.37
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C2=CC=CC=C21	REAL300000520862	0	44	-2.0	-102.22	348.64	8.83	-93.39
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C2=CC=CC=C21	REAL300000520864	0	44	-2.0	-96.56	354.22	9.14	-87.42
COC1=CC=C([O-])C(S(=O)(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)=C1	REAL300000520883	1	43	-2.0	-103.25	352.01	5.84	-97.41
CCN1C=C(S(=O)(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000520901	0	45	-2.0	-103.74	372.36	8.67	-95.07
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)S1	REAL300000520944	1	41	-2.0	-90.96	357.55	4.30	-86.66
CC1=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000520970	0	44	-2.0	-94.34	359.85	9.03	-85.31
O=C([O-])CC1CCN(S(=O)(=O)C2=NC=C[N-]2)C2=CC=CC=C21	REAL300000520998	0	35	-2.0	-92.47	295.89	4.34	-88.13
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=CC=CC=C21	REAL300000521018	0	41	-2.0	-109.68	348.98	8.55	-101.13
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=CC=C21	REAL300000521071	0	40	-2.0	-95.14	340.09	6.59	-88.55
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C2=CC=CC=C21	REAL300000521081	0	39	-2.0	-96.82	328.94	6.61	-90.21
O=C([O-])CC1CCN(S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000521102	0	38	-2.0	-92.45	348.08	7.66	-84.79
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)=C1	REAL300000521185	1	44	-2.0	-92.32	376.86	5.72	-86.60
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)=N[N-]1	REAL300000521185	1	44	-2.0	-92.36	376.96	5.72	-86.64
CCC1=C(S(=O)(=O)N2CCC(CC(=O)[O-])C3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000521223	0	44	-2.0	-96.58	366.04	8.20	-88.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=CC=C1F	REAL300000521228	1	35	-2.0	-105.82	327.30	4.45	-101.37
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=C(O)C=C2C=C1	REAL300000521229	0	43	-2.0	-106.90	382.39	5.51	-101.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1	REAL300000521230	1	35	-2.0	-96.11	322.75	4.43	-91.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521231	1	35	-2.0	-108.80	322.77	4.42	-104.38
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=C(O)C=C2C=C1	REAL300000521232	0	39	-2.0	-114.05	350.91	4.22	-109.83
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1	REAL300000521233	1	39	-2.0	-95.42	354.22	5.72	-89.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1C(=O)[O-]	REAL300000521234	1	38	-2.0	-109.62	338.79	4.96	-104.66
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521235	0	35	-2.0	-103.84	335.84	5.00	-98.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=CC=C1Cl	REAL300000521236	1	35	-2.0	-104.23	335.28	4.82	-99.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1C	REAL300000521237	1	41	-2.0	-111.26	355.45	5.78	-105.48
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521238	0	35	-2.0	-105.65	328.25	4.49	-101.16
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1	REAL300000521239	1	41	-2.0	-94.73	366.34	6.01	-88.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521240	0	32	-2.0	-103.06	315.95	3.45	-99.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=C(O)C=C2C=C1	REAL300000521241	1	38	-2.0	-109.12	338.20	5.22	-103.90
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1C(=O)[O-]	REAL300000521243	0	36	-2.0	-107.07	329.41	3.78	-103.29
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521245	0	35	-2.0	-99.11	331.89	4.11	-95.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=CS1	REAL300000521247	0	32	-2.0	-104.16	314.42	3.47	-100.69
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521249	1	45	-2.0	-113.32	378.01	7.06	-106.26
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=C(O)C=C2C=C1	REAL300000521250	1	44	-2.0	-111.58	376.67	6.44	-105.14
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=C(O)C=C2C=C1	REAL300000521251	1	41	-2.0	-107.64	352.91	6.16	-101.48
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=C(O)C=C2C=C1	REAL300000521252	0	42	-2.0	-114.67	373.20	4.99	-109.68
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521253	0	38	-2.0	-111.76	357.76	4.85	-106.91
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521253	1	37	-3.0	-184.61	351.17	4.99	-179.62
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521254	1	42	-2.0	-113.66	367.02	6.33	-107.33
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C(C(=O)[O-])O1	REAL300000521255	0	35	-2.0	-102.46	325.78	3.57	-98.89
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521256	0	39	-2.0	-109.54	351.76	3.51	-106.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C(Cl)C=C1F	REAL300000521258	0	35	-2.0	-100.71	340.36	5.01	-95.70
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=C(O)C=C2C=C1	REAL300000521260	1	38	-2.0	-99.68	343.48	5.25	-94.43
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1F	REAL300000521261	1	39	-2.0	-93.63	360.06	4.77	-88.86
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C(C(=O)[O-])S1	REAL300000521263	1	35	-2.0	-105.90	331.37	4.32	-101.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C(Cl)=C1	REAL300000521264	0	35	-2.0	-93.55	335.82	4.98	-88.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1F	REAL300000521265	1	35	-2.0	-95.63	327.28	4.46	-91.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)S1	REAL300000521266	0	32	-2.0	-97.86	315.04	3.55	-94.31
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521267	1	35	-2.0	-99.55	329.18	4.49	-95.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1F	REAL300000521268	0	38	-2.0	-107.32	348.52	5.12	-102.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C(F)=C1	REAL300000521269	0	35	-2.0	-95.50	328.23	4.49	-91.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1Cl	REAL300000521270	1	35	-2.0	-93.65	335.26	4.82	-88.83
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=C(O)C=C2C=C1	REAL300000521271	1	38	-2.0	-101.33	352.21	5.64	-95.69
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1	REAL300000521272	1	43	-2.0	-92.15	386.51	5.83	-86.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=CC(F)=C1F	REAL300000521273	1	35	-2.0	-97.35	333.60	4.52	-92.83
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521274	0	37	-2.0	-93.62	350.96	5.09	-88.53
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521275	0	36	-2.0	-108.29	332.48	2.14	-106.15
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521275	1	36	-2.0	-107.98	331.72	2.93	-105.05
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1	REAL300000521276	1	38	-2.0	-99.42	344.94	5.21	-94.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=CC(Cl)=C1F	REAL300000521277	1	35	-2.0	-98.79	343.49	4.95	-93.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=CC=C(O)C=C2C=C1	REAL300000521278	1	38	-2.0	-105.19	332.32	5.10	-100.09
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=CC(C(=O)[O-])=C1F	REAL300000521279	1	38	-2.0	-107.56	347.60	5.07	-102.49
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=CC(C(=O)[O-])=C1C	REAL300000521281	1	41	-2.0	-113.00	359.57	5.59	-107.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=CC=C1[N+](=O)[O-]	REAL300000521282	0	37	-2.0	-106.63	349.33	5.51	-101.12
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521283	0	35	-2.0	-97.46	334.53	4.55	-92.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1C(=O)[O-]	REAL300000521285	0	38	-2.0	-108.00	348.09	5.12	-102.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1Cl	REAL300000521286	0	38	-2.0	-105.90	354.55	5.56	-100.34
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521287	0	38	-2.0	-113.96	347.81	5.11	-108.85
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1C(=O)[O-]	REAL300000521288	1	41	-2.0	-110.30	357.00	5.61	-104.69
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=CC=C(O)C=C2C=C1	REAL300000521290	1	38	-2.0	-98.81	353.31	5.68	-93.13
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000521291	1	38	-2.0	-106.38	353.99	5.38	-101.00
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1C(=O)[O-]	REAL300000521292	0	39	-2.0	-108.09	350.78	4.64	-103.45
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1C(=O)[O-]	REAL300000521294	1	38	-2.0	-102.94	356.51	5.49	-97.45
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=CC=C1C(=O)[O-]	REAL300000521295	1	38	-2.0	-96.25	338.77	4.97	-91.28
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1[N+](=O)[O-]	REAL300000521297	0	37	-2.0	-115.82	346.49	6.29	-109.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1F	REAL300000521298	0	35	-2.0	-113.17	326.43	4.46	-108.71
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C1C(=O)[O-]	REAL300000521299	1	38	-2.0	-101.13	347.71	5.10	-96.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=CC2=CC=CC=C21	REAL300000521300	1	41	-2.0	-116.67	363.81	6.55	-110.12
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C1	REAL300000521301	0	34	-2.0	-106.50	318.99	2.56	-103.94
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=CC=C(O)C=C2C=C1	REAL300000521302	0	39	-2.0	-100.27	350.97	4.23	-96.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)=C(Cl)O1	REAL300000521303	0	32	-2.0	-96.27	322.92	3.41	-92.86
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=C(O)C=C4C=C3)C=C2)CC1	REAL300000521304	1	42	-2.0	-102.58	368.89	6.31	-96.27
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=C(O)C=C4C=C3)C=C2C1	REAL300000521305	1	42	-2.0	-106.46	368.21	6.32	-100.14
CCC1=C(S(=O)(=O)[N-]C2=CC3=CC=C(O)C=C3C=C2)C=C(C(=O)[O-])O1	REAL300000521306	0	38	-2.0	-102.18	344.90	4.42	-97.76
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(Br)=C1	REAL300000521310	1	31	-2.0	-99.92	322.09	6.15	-93.77
CCC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(Br)=C1	REAL300000521315	1	31	-2.0	-95.00	321.13	6.25	-88.75
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(Br)=C1	REAL300000521320	1	33	-2.0	-103.30	325.08	5.25	-98.05
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1	REAL300000521321	0	45	-2.0	-90.74	397.57	4.23	-86.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=CC=C1F	REAL300000521322	0	38	-2.0	-106.71	345.63	5.68	-101.03
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCC2)N=C1	REAL300000521323	0	46	-2.0	-108.33	400.71	6.74	-101.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1	REAL300000521324	0	38	-2.0	-96.94	341.08	5.65	-91.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521325	0	38	-2.0	-109.20	341.10	5.64	-103.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCC2)N=C1	REAL300000521326	0	42	-2.0	-115.28	369.24	5.45	-109.83
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1	REAL300000521327	0	42	-2.0	-96.68	372.56	6.94	-89.74
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000521328	0	41	-2.0	-110.73	357.11	6.17	-104.56
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521329	0	38	-2.0	-105.45	354.17	6.22	-99.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=CC=C1Cl	REAL300000521330	0	38	-2.0	-105.02	353.61	6.03	-98.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1C	REAL300000521331	0	44	-2.0	-112.65	373.50	6.96	-105.69
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521332	0	38	-2.0	-106.83	346.57	5.70	-101.13
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1	REAL300000521333	0	44	-2.0	-96.03	384.67	7.23	-88.80
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521334	0	35	-2.0	-103.55	334.29	4.67	-98.88
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCC2)N=C1	REAL300000521335	0	41	-2.0	-110.84	356.52	6.43	-104.41
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1	REAL300000521336	0	42	-2.0	-95.26	372.18	5.92	-89.34
CN1C=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000521337	0	39	-2.0	-107.70	347.74	5.00	-102.70
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCC2)N=C1	REAL300000521338	0	42	-2.0	-111.19	365.31	4.46	-106.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521339	0	38	-2.0	-99.78	350.21	5.32	-94.46
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000521340	0	44	-2.0	-112.24	372.16	6.99	-105.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=CS1	REAL300000521341	0	35	-2.0	-104.89	332.76	4.68	-100.21
COC1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000521342	0	46	-2.0	-109.90	399.42	5.46	-104.44
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000521343	0	42	-2.0	-115.06	368.39	5.72	-109.34
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521344	0	48	-2.0	-114.65	396.36	8.27	-106.38
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCC2)N=C1	REAL300000521345	0	47	-2.0	-112.98	395.00	7.65	-105.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCC2)N=C1	REAL300000521346	0	44	-2.0	-109.24	371.26	7.35	-101.89
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCC2)N=C1	REAL300000521347	0	45	-2.0	-115.23	391.52	6.22	-109.01
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521348	0	40	-3.0	-183.65	369.51	6.21	-177.44
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521349	0	45	-2.0	-114.97	385.35	7.54	-107.43
CC1=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000521350	0	38	-2.0	-103.59	344.12	4.79	-98.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=CC2=C1OCCO2	REAL300000521351	0	44	-2.0	-114.01	383.26	5.43	-108.58
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521352	0	42	-2.0	-110.48	370.09	4.74	-105.74
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN(CC4CCC4)N=C3)C=C2C1	REAL300000521353	0	46	-2.0	-96.75	394.74	6.26	-90.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C(Cl)C=C1F	REAL300000521354	0	38	-2.0	-102.12	358.69	6.23	-95.89
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1Cl	REAL300000521355	0	42	-2.0	-93.82	388.21	6.46	-87.36
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=CC=C1OCC(=O)[O-]	REAL300000521356	0	45	-2.0	-95.86	392.25	6.63	-89.23
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCC2)N=C1	REAL300000521357	0	41	-2.0	-101.31	361.80	6.47	-94.84
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1F	REAL300000521358	0	42	-2.0	-94.77	378.40	5.99	-88.78
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000521359	0	45	-2.0	-116.14	390.23	6.62	-109.52
CC1=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C(C(=O)[O-])S1	REAL300000521360	0	38	-2.0	-107.00	350.79	5.53	-101.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C(Cl)=C1	REAL300000521361	0	38	-2.0	-94.63	354.14	6.21	-88.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1F	REAL300000521362	0	38	-2.0	-96.41	345.62	5.69	-90.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)S1	REAL300000521363	0	35	-2.0	-98.57	333.38	4.77	-93.80
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521364	0	38	-2.0	-100.13	347.51	5.70	-94.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1F	REAL300000521365	0	41	-2.0	-108.23	366.86	6.34	-101.89
COC1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000521366	0	42	-2.0	-99.21	381.42	6.28	-92.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C(F)=C1	REAL300000521367	0	38	-2.0	-96.28	346.56	5.72	-90.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1Cl	REAL300000521368	0	38	-2.0	-94.50	353.59	6.04	-88.46
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCC2)N=C1	REAL300000521369	0	41	-2.0	-103.02	370.54	6.85	-96.17
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1	REAL300000521370	0	46	-2.0	-93.50	404.84	7.05	-86.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=CC(F)=C1F	REAL300000521371	0	38	-2.0	-98.60	351.93	5.74	-92.86
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521372	0	40	-2.0	-94.44	369.30	6.31	-88.13
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521373	0	39	-2.0	-109.96	350.81	3.37	-106.59
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1	REAL300000521374	0	41	-2.0	-100.81	363.28	6.42	-94.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=CC(Cl)=C1F	REAL300000521375	0	38	-2.0	-100.02	361.81	6.18	-93.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC2CCC2)N=C1	REAL300000521376	0	41	-2.0	-105.26	351.18	6.27	-98.99
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000521377	0	41	-2.0	-108.07	365.93	6.29	-101.78
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2CCC2)N=C1	REAL300000521378	0	41	-2.0	-97.38	356.51	6.42	-90.96
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000521379	0	44	-2.0	-113.97	377.90	6.81	-107.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=CC=C1[N+](=O)[O-]	REAL300000521380	0	40	-2.0	-107.38	367.65	6.74	-100.64
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521381	0	38	-2.0	-98.43	352.86	5.77	-92.66
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000521382	0	44	-2.0	-109.67	374.48	7.06	-102.61
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000521383	0	41	-2.0	-107.95	362.57	6.25	-101.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1Cl	REAL300000521384	0	41	-2.0	-107.19	372.86	6.79	-100.40
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521385	0	41	-2.0	-113.74	366.14	6.33	-107.41
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000521386	0	44	-2.0	-111.50	375.06	6.82	-104.68
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1CC(=O)[O-]	REAL300000521387	0	45	-2.0	-111.61	391.56	5.77	-105.84
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(CC2CCC2)N=C1	REAL300000521388	0	41	-2.0	-98.64	367.36	6.82	-91.82
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000521389	0	41	-2.0	-106.84	372.32	6.60	-100.24
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000521390	0	42	-2.0	-109.00	369.11	5.87	-103.13
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C(C)=C1CC(=O)[O-]	REAL300000521391	0	50	-2.0	-109.25	406.24	8.52	-100.73
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000521392	0	41	-2.0	-104.00	374.85	6.71	-97.29
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C(C(=O)[O-])S1	REAL300000521393	0	47	-2.0	-106.85	390.57	7.77	-99.08
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000521394	0	42	-2.0	-111.02	381.42	6.29	-104.73
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000521395	0	41	-2.0	-97.14	357.11	6.19	-90.95
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C([N+](=O)[O-])=C1	REAL300000521396	0	43	-2.0	-101.41	384.37	7.84	-93.57
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2CCC2)N=C1	REAL300000521397	0	41	-2.0	-108.19	361.06	6.44	-101.75
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1[N+](=O)[O-]	REAL300000521398	0	40	-2.0	-116.04	364.83	7.50	-108.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1F	REAL300000521399	0	38	-2.0	-112.94	344.76	5.67	-107.27
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000521400	0	41	-2.0	-102.16	366.05	6.32	-95.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=CC2=CC=CC=C21	REAL300000521401	0	44	-2.0	-117.73	382.13	7.78	-109.95
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C1	REAL300000521402	0	37	-2.0	-106.85	337.31	3.77	-103.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2CCC2)N=C1	REAL300000521403	0	42	-2.0	-101.25	369.29	5.45	-95.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)=C(Cl)O1	REAL300000521404	0	35	-2.0	-97.35	341.26	4.61	-92.74
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(CC4CCC4)N=C3)C=C2)CC1	REAL300000521405	0	45	-2.0	-103.76	387.23	7.53	-96.23
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(CC4CCC4)N=C3)C=C2C1	REAL300000521406	0	45	-2.0	-106.18	386.54	7.53	-98.65
CCC1=C(S(=O)(=O)[N-]C2=CN(CC3CCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000521407	0	41	-2.0	-103.61	363.24	5.64	-97.97
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC(CCO)C3=CC=CC=C32)=C1	REAL300000521438	0	43	-2.0	-113.98	359.40	4.02	-109.96
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)=C1	REAL300000521462	0	36	-2.0	-99.41	349.90	8.45	-90.96
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)=C1	REAL300000521463	0	33	-2.0	-96.33	337.60	7.40	-88.93
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000521465	1	37	-2.0	-97.94	351.08	7.75	-90.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)=C1	REAL300000521466	0	36	-2.0	-92.63	353.51	8.08	-84.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)=CS1	REAL300000521467	1	33	-2.0	-97.93	336.07	7.42	-90.51
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000521468	0	36	-2.0	-96.66	347.43	7.52	-89.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000521469	1	36	-2.0	-100.11	353.02	8.28	-91.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)S1	REAL300000521471	0	33	-2.0	-91.53	336.69	7.52	-84.01
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)=C1	REAL300000521472	1	36	-2.0	-92.96	350.82	8.45	-84.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)C(F)=C1	REAL300000521473	0	36	-2.0	-89.14	349.88	8.46	-80.68
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3C=CC=C3)C(Cl)=C2)=C1	REAL300000521474	0	37	-2.0	-103.37	353.20	6.97	-96.40
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)=C1	REAL300000521474	1	37	-2.0	-102.76	354.14	6.10	-96.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000521478	1	40	-2.0	-99.19	372.46	8.62	-90.57
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)=C1F	REAL300000521480	0	36	-2.0	-105.39	348.00	8.42	-96.97
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)=C1	REAL300000521481	0	35	-2.0	-99.77	341.36	6.45	-93.32
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=CC=C3)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000521482	0	39	-2.0	-96.62	366.55	8.37	-88.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)=CC=C1F	REAL300000521483	1	40	-2.0	-112.71	363.53	4.50	-108.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)C=C1	REAL300000521484	1	40	-2.0	-103.53	358.98	4.47	-99.06
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)=C1	REAL300000521485	1	40	-2.0	-117.61	358.99	4.46	-113.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)C=C1C(=O)[O-]	REAL300000521486	1	43	-2.0	-117.74	377.72	5.08	-112.66
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)=C1	REAL300000521487	0	40	-2.0	-113.81	364.47	4.53	-109.28
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)=C1	REAL300000521488	0	37	-2.0	-111.31	352.17	3.48	-107.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2CCOCC2=O)=C1	REAL300000521489	1	43	-2.0	-117.80	374.42	5.25	-112.55
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)C=C1C(=O)[O-]	REAL300000521490	0	41	-2.0	-111.44	365.64	3.82	-107.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)=C1	REAL300000521491	0	40	-2.0	-104.71	368.10	4.15	-100.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)=CS1	REAL300000521492	0	37	-2.0	-112.88	350.64	3.50	-109.38
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000521493	0	40	-2.0	-110.26	362.00	3.60	-106.66
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)C=C(C(=O)[O-])S1	REAL300000521494	0	40	-2.0	-113.92	367.59	4.36	-109.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)C=C1F	REAL300000521495	1	40	-2.0	-103.13	363.50	4.51	-98.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)S1	REAL300000521496	0	37	-2.0	-103.42	351.26	3.59	-99.83
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)=C1	REAL300000521497	1	40	-2.0	-103.78	365.40	4.53	-99.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)C(F)=C1	REAL300000521498	0	40	-2.0	-102.82	364.45	4.54	-98.28
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)=C1	REAL300000521499	0	41	-2.0	-116.13	368.69	2.18	-113.95
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(N3CCOCC3=O)=C2)=C1	REAL300000521499	1	41	-2.0	-107.62	357.72	3.07	-104.55
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)C=C1	REAL300000521500	1	43	-2.0	-106.81	381.18	5.24	-101.57
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2CCOCC2=O)=C1	REAL300000521501	1	43	-2.0	-111.97	369.01	5.11	-106.86
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)C=C1C(=O)[O-]	REAL300000521503	0	44	-2.0	-112.68	387.01	4.69	-107.99
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)=CC=C1C(=O)[O-]	REAL300000521504	1	43	-2.0	-103.70	375.00	5.01	-98.69
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)=C1F	REAL300000521505	0	40	-2.0	-119.76	362.65	4.50	-115.26
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)=C1	REAL300000521506	0	39	-2.0	-113.06	355.98	2.52	-110.54
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3CCOCC3=O)=C2)C=C(C(=O)[O-])O1	REAL300000521507	0	43	-2.0	-110.10	381.12	4.45	-105.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C4C(=C2)CCC(=O)N4CCC3)=C1	REAL300000521509	1	43	-2.0	-107.20	365.47	7.04	-100.16
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=C4C(=C2)CCC(=O)N4CCC3)=C1	REAL300000521510	0	40	-2.0	-101.81	358.88	6.12	-95.69
CN1C=C(S(=O)(=O)[N-]C2=CC3=C4C(=C2)CCC(=O)N4CCC3)C=C1C(=O)[O-]	REAL300000521511	1	44	-2.0	-105.90	372.34	6.46	-99.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C4C(=C2)CCC(=O)N4CCC3)=CS1	REAL300000521512	0	40	-2.0	-103.14	357.12	6.08	-97.06
CC1=C(S(=O)(=O)[N-]C2=CC3=C4C(=C2)CCC(=O)N4CCC3)C=C(C(=O)[O-])O1	REAL300000521513	0	43	-2.0	-101.54	368.48	6.18	-95.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C4C(=C2)CCC(=O)N4CCC3)S1	REAL300000521514	0	40	-2.0	-96.69	357.96	6.23	-90.46
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C4C(=C2)CCC(=O)N4CCC3)=C1	REAL300000521515	0	42	-2.0	-105.11	361.92	5.24	-99.87
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000521516	0	45	-2.0	-91.67	392.71	3.95	-87.72
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000521517	1	38	-2.0	-108.05	340.78	5.40	-102.65
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000521518	0	46	-2.0	-109.31	396.53	6.47	-102.84
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000521519	1	38	-2.0	-98.52	336.24	5.37	-93.15
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000521520	1	38	-2.0	-110.96	336.25	5.36	-105.60
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000521521	0	42	-2.0	-116.66	365.05	5.18	-111.48
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000521522	1	42	-2.0	-97.79	367.70	6.66	-91.13
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000521523	1	41	-2.0	-113.57	352.27	5.89	-107.68
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000521524	0	38	-2.0	-106.42	349.99	5.96	-100.46
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000521525	1	38	-2.0	-106.60	348.76	5.76	-100.84
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000521526	1	44	-2.0	-113.79	369.59	6.73	-107.06
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000521527	0	38	-2.0	-108.73	342.40	5.45	-103.28
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000521528	1	44	-2.0	-97.21	379.83	6.95	-90.26
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000521529	0	35	-2.0	-105.23	330.11	4.40	-100.83
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000521530	1	41	-2.0	-111.52	352.35	6.17	-105.35
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000521531	1	42	-2.0	-96.59	367.32	5.65	-90.94
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000521532	0	39	-2.0	-109.32	342.90	4.71	-104.61
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000521533	1	42	-2.0	-112.08	360.70	4.21	-107.87
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000521534	0	38	-2.0	-101.96	346.03	5.07	-96.89
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000521535	1	44	-2.0	-112.88	368.38	6.70	-106.18
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000521536	0	35	-2.0	-106.55	327.90	4.40	-102.15
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000521537	1	46	-2.0	-111.43	394.58	5.18	-106.25
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000521538	1	42	-2.0	-118.18	363.54	5.43	-112.75
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000521539	1	48	-2.0	-115.81	392.16	8.01	-107.80
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000521540	1	47	-2.0	-113.69	390.82	7.39	-106.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C)=C1COC	REAL300000521541	1	44	-2.0	-109.05	365.79	7.14	-101.91
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000521542	0	45	-2.0	-117.20	387.34	5.95	-111.25
COCC1=C(C)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000521543	0	41	-2.0	-107.51	363.90	5.85	-101.66
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000521543	1	40	-3.0	-188.03	364.66	5.93	-182.10
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000521544	1	45	-2.0	-116.16	381.17	7.28	-108.88
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000521545	0	38	-2.0	-104.43	339.93	4.52	-99.91
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000521546	1	44	-2.0	-116.03	378.41	5.14	-110.89
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000521547	0	42	-2.0	-112.86	365.84	4.47	-108.39
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000521548	1	46	-2.0	-97.79	389.18	5.96	-91.83
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000521549	0	38	-2.0	-102.84	354.52	5.97	-96.87
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000521550	1	42	-2.0	-95.13	383.37	6.18	-88.95
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000521551	1	45	-2.0	-97.13	387.41	6.35	-90.78
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000521552	1	41	-2.0	-101.98	357.63	6.20	-95.78
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000521553	1	42	-2.0	-96.03	373.56	5.70	-90.33
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2COC)C=C1C(=O)[O-]	REAL300000521554	1	45	-2.0	-118.81	385.40	6.34	-112.47
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000521555	0	38	-2.0	-107.75	346.61	5.27	-102.48
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000521556	0	38	-2.0	-95.77	349.97	5.94	-89.83
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000521557	1	38	-2.0	-97.97	340.76	5.40	-92.57
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000521558	0	35	-2.0	-100.57	329.18	4.51	-96.06
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000521559	0	38	-2.0	-102.77	342.67	5.42	-97.35
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000521560	0	41	-2.0	-110.27	362.67	6.08	-104.19
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000521561	0	42	-2.0	-100.39	377.23	6.00	-94.39
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000521562	0	38	-2.0	-98.26	342.38	5.45	-92.81
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000521563	1	38	-2.0	-96.07	348.74	5.77	-90.30
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000521564	1	41	-2.0	-103.71	366.37	6.59	-97.12
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000521565	1	46	-2.0	-94.49	399.98	6.78	-87.71
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000521566	1	38	-2.0	-99.57	347.07	5.46	-94.11
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000521567	0	40	-2.0	-95.83	364.44	6.03	-89.80
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000521568	0	39	-2.0	-110.32	346.64	3.10	-107.22
COCC1=C(C)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000521568	1	39	-2.0	-107.87	339.12	4.01	-103.86
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000521569	1	41	-2.0	-103.01	358.43	6.14	-96.87
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000521570	1	38	-2.0	-101.09	356.96	5.90	-95.19
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000521571	1	41	-2.0	-107.71	346.96	6.01	-101.70
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000521572	1	41	-2.0	-110.83	361.08	6.02	-104.81
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000521573	1	41	-2.0	-98.21	352.34	6.15	-92.06
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000521574	1	44	-2.0	-114.26	369.71	6.44	-107.82
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000521575	0	40	-2.0	-108.49	362.81	6.45	-102.04
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000521576	0	38	-2.0	-100.32	348.66	5.51	-94.81
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000521577	1	44	-2.0	-112.14	370.46	6.80	-105.34
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000521578	0	41	-2.0	-111.12	362.24	6.08	-105.04
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000521579	0	41	-2.0	-108.37	368.70	6.52	-101.85
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000521580	0	41	-2.0	-117.17	361.96	6.07	-111.10
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2COC)C=C1C(=O)[O-]	REAL300000521581	1	44	-2.0	-114.37	370.57	6.55	-107.82
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000521582	1	45	-2.0	-113.71	386.72	5.49	-108.22
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000521583	1	41	-2.0	-100.85	363.18	6.57	-94.28
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000521584	1	41	-2.0	-109.74	367.47	6.32	-103.42
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2COC)C=C1C(=O)[O-]	REAL300000521585	0	42	-2.0	-110.57	364.19	5.58	-104.99
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000521586	1	50	-2.0	-110.24	401.16	8.21	-102.03
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000521587	1	41	-2.0	-104.44	366.12	6.32	-98.12
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000521588	0	47	-2.0	-106.58	386.37	7.52	-99.06
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000521589	0	42	-2.0	-111.99	377.25	6.01	-105.98
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000521590	1	41	-2.0	-98.72	352.26	5.91	-92.81
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000521591	0	43	-2.0	-103.26	380.17	7.59	-95.67
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000521592	1	41	-2.0	-108.51	356.87	6.20	-102.31
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000521593	0	40	-2.0	-118.86	360.65	7.23	-111.63
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000521594	0	38	-2.0	-116.28	340.56	5.41	-110.87
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000521595	1	41	-2.0	-102.71	357.42	5.94	-96.77
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000521596	1	44	-2.0	-120.99	377.29	7.48	-113.51
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000521597	0	37	-2.0	-109.16	332.46	3.49	-105.67
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000521598	0	42	-2.0	-102.73	365.13	5.18	-97.55
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000521599	0	35	-2.0	-98.56	337.03	4.37	-94.19
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000521600	1	45	-2.0	-105.72	382.38	7.24	-98.48
COCC1=C(C)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000521601	1	45	-2.0	-108.32	380.34	7.24	-101.08
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2COC)C=C(C(=O)[O-])O1	REAL300000521602	0	41	-2.0	-103.83	359.04	5.37	-98.46
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C(F)F)=N1	REAL300000521603	0	38	-2.0	-87.16	361.27	2.22	-84.94
CN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300000521604	0	31	-2.0	-106.12	311.09	3.59	-102.53
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)F	REAL300000521605	0	39	-2.0	-104.22	364.43	4.73	-99.49
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(F)F)=N1	REAL300000521606	0	31	-2.0	-93.50	304.79	3.64	-89.86
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300000521607	0	31	-2.0	-108.42	306.56	3.55	-104.87
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)F	REAL300000521608	0	35	-2.0	-110.79	332.95	3.44	-107.35
CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(F)F)=N1	REAL300000521609	0	35	-2.0	-93.00	336.26	4.93	-88.07
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C=C1C(=O)[O-]	REAL300000521610	0	34	-2.0	-109.59	322.58	4.09	-105.50
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(F)F)=N1	REAL300000521611	0	31	-2.0	-101.29	317.88	4.21	-97.08
CN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300000521612	0	31	-2.0	-104.48	319.06	3.95	-100.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)=C1C	REAL300000521613	0	37	-2.0	-110.34	339.67	4.88	-105.46
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(F)F)=N1	REAL300000521614	0	31	-2.0	-102.43	310.29	3.70	-98.73
CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(F)F)=N1	REAL300000521615	0	37	-2.0	-92.19	348.38	5.22	-86.97
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(F)F)=N1	REAL300000521616	0	28	-2.0	-100.62	298.00	2.65	-97.97
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)F	REAL300000521617	0	34	-2.0	-106.73	320.24	4.42	-102.31
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(F)F)=N1	REAL300000521618	0	35	-2.0	-91.85	335.88	3.92	-87.93
CN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300000521619	0	32	-2.0	-104.63	311.46	2.98	-101.65
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)F	REAL300000521620	0	35	-2.0	-107.47	328.59	2.47	-105.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)=C1	REAL300000521621	0	31	-2.0	-99.18	315.67	3.24	-95.94
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C=C1C(=O)[O-]	REAL300000521622	0	37	-2.0	-110.99	342.01	4.98	-106.01
CN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300000521623	0	28	-2.0	-104.47	298.21	2.59	-101.88
COC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)=CC(C(=O)[O-])=C1OC	REAL300000521624	0	39	-2.0	-109.30	364.89	3.37	-105.93
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C=C1C(=O)[O-]	REAL300000521625	0	35	-2.0	-114.50	333.84	3.62	-110.88
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(C(F)F)=N1	REAL300000521626	0	41	-2.0	-112.27	361.79	6.18	-106.09
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)F	REAL300000521627	0	40	-2.0	-110.44	360.46	5.56	-104.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)F	REAL300000521628	0	37	-2.0	-106.40	334.70	5.22	-101.18
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)F	REAL300000521629	0	38	-2.0	-111.67	355.24	4.20	-107.47
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300000521630	0	33	-3.0	-183.72	334.96	4.12	-179.60
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C(F)F)=N1	REAL300000521631	0	38	-2.0	-112.61	350.81	5.45	-107.16
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C=C(C(=O)[O-])O1	REAL300000521632	0	31	-2.0	-102.12	309.56	2.69	-99.43
CN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300000521633	0	37	-2.0	-111.08	346.97	3.41	-107.67
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)=C1	REAL300000521634	0	35	-2.0	-110.37	335.48	2.66	-107.71
CN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C(C(F)F)=N1	REAL300000521635	0	39	-2.0	-95.12	359.47	4.15	-90.97
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(C(F)F)=N1	REAL300000521636	0	31	-2.0	-98.50	322.41	4.23	-94.27
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C(C(F)F)=N1	REAL300000521637	0	35	-2.0	-93.18	353.65	4.38	-88.80
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)=CC=C1OCC(=O)[O-]	REAL300000521638	0	38	-2.0	-95.02	357.71	4.54	-90.48
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)F	REAL300000521639	0	34	-2.0	-99.45	327.27	4.37	-95.08
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C(F)F)=N1	REAL300000521640	0	35	-2.0	-94.18	343.85	3.90	-90.28
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C=C1C(=O)[O-]	REAL300000521641	0	38	-2.0	-115.16	355.69	4.53	-110.63
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C=C(C(=O)[O-])S1	REAL300000521642	0	31	-2.0	-105.14	315.18	3.46	-101.68
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(F)F)=N1	REAL300000521643	0	31	-2.0	-91.06	317.86	4.20	-86.86
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(F)F)=N1	REAL300000521644	0	31	-2.0	-96.00	311.09	3.60	-92.40
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(F)F)=N1	REAL300000521645	0	28	-2.0	-94.70	297.07	2.76	-91.94
CN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300000521646	0	31	-2.0	-99.56	312.96	3.62	-95.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)=C1F	REAL300000521647	0	34	-2.0	-106.49	332.31	4.25	-102.24
COC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)=C(Cl)C=C1C(=O)[O-]	REAL300000521648	0	35	-2.0	-95.76	345.11	4.26	-91.50
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(F)F)=N1	REAL300000521649	0	31	-2.0	-92.50	310.28	3.71	-88.79
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(F)F)=N1	REAL300000521650	0	31	-2.0	-94.07	319.06	3.96	-90.11
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)F	REAL300000521651	0	34	-2.0	-101.06	336.00	4.76	-96.30
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(C(F)F)=N1	REAL300000521652	0	39	-2.0	-89.99	368.54	5.05	-84.94
CN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300000521653	0	31	-2.0	-97.94	317.38	3.65	-94.29
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C(F)F)=N1	REAL300000521654	0	33	-2.0	-93.94	334.75	4.22	-89.72
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(F)F)=N1	REAL300000521655	0	31	-3.0	-197.25	310.96	2.23	-195.02
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(F)F)=N1	REAL300000521655	1	32	-2.0	-105.46	314.52	1.34	-104.12
CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(F)F)=N1	REAL300000521656	0	34	-2.0	-96.37	326.98	4.40	-91.97
CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300000521657	0	31	-2.0	-99.39	327.26	4.09	-95.30
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)F	REAL300000521658	0	34	-2.0	-100.75	314.85	4.27	-96.48
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)=CC(C(=O)[O-])=C1F	REAL300000521659	0	34	-2.0	-107.52	331.39	4.21	-103.31
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)F	REAL300000521660	0	34	-2.0	-93.99	320.22	4.41	-89.58
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)=CC(C(=O)[O-])=C1C	REAL300000521661	0	37	-2.0	-111.58	339.43	4.62	-106.96
CN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300000521662	0	33	-2.0	-107.22	333.11	4.65	-102.57
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C(F)F)=N1	REAL300000521663	0	31	-2.0	-97.15	318.29	3.68	-93.47
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C(C)=C1C(=O)[O-]	REAL300000521664	0	37	-2.0	-105.25	338.33	5.04	-100.21
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C=C1C(=O)[O-]	REAL300000521665	0	34	-2.0	-104.60	330.12	4.33	-100.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)=C1Cl	REAL300000521666	0	34	-2.0	-105.32	338.34	4.69	-100.63
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)=C1	REAL300000521667	0	34	-2.0	-113.98	331.59	4.25	-109.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C=C1C(=O)[O-]	REAL300000521668	0	37	-2.0	-110.34	340.79	4.74	-105.60
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C=C1CC(=O)[O-]	REAL300000521669	0	38	-2.0	-111.80	357.02	3.69	-108.11
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)F	REAL300000521670	0	34	-2.0	-98.67	332.82	4.73	-93.94
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(C(F)F)=N1	REAL300000521671	0	34	-2.0	-93.08	336.68	4.36	-88.72
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)=CC(C(=O)[O-])=C1Cl	REAL300000521672	0	34	-2.0	-106.26	337.78	4.51	-101.75
CCN1C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C=C1C(=O)[O-]	REAL300000521673	0	35	-2.0	-105.93	332.83	3.85	-102.08
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C=C1C(=O)[O-]	REAL300000521674	0	34	-2.0	-102.02	336.42	4.52	-97.50
CN1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300000521675	0	40	-2.0	-104.85	356.01	5.69	-99.16
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C=C1C(=O)[O-]	REAL300000521676	0	35	-2.0	-107.03	345.13	4.27	-102.76
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)=CC=C1C(=O)[O-]	REAL300000521677	0	34	-2.0	-96.51	322.57	4.10	-92.41
CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(C(F)F)=N1	REAL300000521678	0	36	-2.0	-100.19	349.81	5.75	-94.44
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)F	REAL300000521679	0	34	-2.0	-104.66	324.76	4.45	-100.21
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C(F)F)=N1	REAL300000521680	0	33	-2.0	-115.85	330.30	5.42	-110.43
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(F)F)=N1	REAL300000521681	0	31	-2.0	-107.95	308.44	3.66	-104.29
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C=C1C(=O)[O-]	REAL300000521682	0	34	-2.0	-100.36	327.72	4.13	-96.23
CN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300000521683	0	37	-2.0	-111.91	345.85	5.76	-106.15
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(F)F)=N1	REAL300000521684	0	30	-2.0	-104.68	303.55	1.61	-103.07
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(F)F	REAL300000521685	0	35	-2.0	-97.49	333.01	3.43	-94.06
CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300000521686	0	28	-2.0	-96.61	306.66	2.53	-94.08
CN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C(F)F)=N1	REAL300000521687	0	38	-2.0	-100.11	350.94	5.51	-94.60
CN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C(F)F)=N1	REAL300000521688	0	38	-2.0	-102.04	348.90	5.50	-96.54
CCC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(F)F)C=C(C(=O)[O-])O1	REAL300000521689	0	34	-2.0	-100.17	326.93	3.62	-96.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1C1=CC=CC=C1F	REAL300000521690	0	38	-2.0	-127.68	360.24	7.78	-119.90
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1C1=CC=CC=C1F	REAL300000521691	0	38	-2.0	-116.01	355.71	7.76	-108.25
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1F	REAL300000521692	0	38	-2.0	-130.99	355.71	7.75	-123.24
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1C1=CC=CC=C1F	REAL300000521693	0	41	-2.0	-133.65	375.01	8.37	-125.28
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1C1=CC=CC=C1F	REAL300000521694	0	38	-2.0	-127.40	361.31	7.82	-119.58
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1C1=CC=CC=C1F	REAL300000521695	0	35	-2.0	-123.00	349.02	6.78	-116.22
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1C1=CC=CC=C1F	REAL300000521696	0	41	-2.0	-130.46	371.26	8.53	-121.93
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1C1=CC=CC=C1F	REAL300000521697	0	39	-2.0	-128.69	362.34	7.11	-121.58
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1C1=CC=CC=C1F	REAL300000521698	0	38	-2.0	-119.62	364.94	7.44	-112.18
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1F	REAL300000521699	0	35	-2.0	-125.89	347.35	6.79	-119.10
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1F	REAL300000521700	0	38	-2.0	-123.60	358.70	6.90	-116.70
CC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1F	REAL300000521701	0	38	-2.0	-127.90	364.33	7.64	-120.26
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1C1=CC=CC=C1F	REAL300000521702	0	38	-2.0	-114.93	360.22	7.79	-107.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1C1=CC=CC=C1F	REAL300000521703	0	35	-2.0	-117.73	347.94	6.88	-110.85
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1F	REAL300000521704	0	38	-2.0	-119.58	362.11	7.82	-111.76
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1C1=CC=CC=C1F	REAL300000521705	0	38	-2.0	-115.92	361.29	7.83	-108.09
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1C1=CC=CC=C1F	REAL300000521706	0	39	-2.0	-129.68	365.54	5.49	-124.19
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1C1=CC=CC=C1F	REAL300000521707	0	41	-2.0	-120.58	377.86	8.54	-112.04
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1C1=CC=CC=C1F	REAL300000521708	0	41	-2.0	-126.11	366.19	8.39	-117.72
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1C1=CC=CC=C1F	REAL300000521709	0	41	-2.0	-116.00	371.24	8.53	-107.47
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3F)C(C)=C2)C=C1C(=O)[O-]	REAL300000521710	0	42	-2.0	-130.11	383.73	7.99	-122.12
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1C1=CC=CC=C1F	REAL300000521711	0	41	-2.0	-118.02	374.98	8.36	-109.66
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1C1=CC=CC=C1F	REAL300000521712	0	38	-2.0	-134.81	359.49	7.79	-127.02
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1C1=CC=CC=C1F	REAL300000521713	0	37	-2.0	-127.47	352.81	5.81	-121.66
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1C1=CC=CC=C1F	REAL300000521714	0	35	-2.0	-116.71	355.80	6.72	-109.99
CCC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000521715	0	41	-2.0	-123.50	377.83	7.75	-115.75
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=CC=C2F)=C1	REAL300000521722	1	38	-2.0	-112.23	347.09	8.64	-103.59
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=CC=C2F)=C1	REAL300000521724	0	35	-2.0	-108.77	334.81	7.62	-101.15
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=CC=C2F)=C1	REAL300000521727	1	38	-2.0	-104.78	350.73	8.27	-96.51
CC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000521731	1	38	-2.0	-108.23	344.63	7.73	-100.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=CC=C2F)S1	REAL300000521734	1	35	-2.0	-103.43	333.89	7.72	-95.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=CC=C2F)C(F)=C1	REAL300000521736	1	38	-2.0	-101.14	347.09	8.65	-92.49
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(C3=CC=CC=C3)=CC=C2F)=C1	REAL300000521737	0	39	-2.0	-111.63	354.01	7.05	-104.58
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=CC=C2F)=C1F	REAL300000521746	1	38	-2.0	-118.99	345.26	8.60	-110.39
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=CC=C2F)=C1	REAL300000521747	0	37	-2.0	-112.06	338.60	6.66	-105.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=CC=C2F)=C(Cl)O1	REAL300000521748	1	35	-2.0	-101.90	341.73	7.57	-94.33
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=CC=CC=C3)=CC=C2F)C=C(C(=O)[O-])O1	REAL300000521749	1	41	-2.0	-108.03	363.74	8.58	-99.45
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(F)C=C1F	REAL300000521753	1	32	-2.0	-103.32	322.62	5.46	-97.86
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)=C1	REAL300000521756	1	28	-2.0	-95.98	303.13	6.31	-89.67
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)=C1	REAL300000521759	1	28	-2.0	-97.24	295.52	5.81	-91.43
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)=C1	REAL300000521761	0	25	-2.0	-94.39	283.24	4.77	-89.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)=C1	REAL300000521766	1	28	-2.0	-89.54	303.59	5.33	-84.21
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(F)C=C1F	REAL300000521772	1	35	-2.0	-103.91	344.91	6.22	-97.69
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C(F)C=C2F)=CC(C(=O)[O-])=C1	REAL300000521773	0	31	-2.0	-104.69	323.01	6.14	-98.55
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)C=C(C(=O)[O-])O1	REAL300000521775	1	28	-2.0	-93.00	297.48	4.80	-88.20
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)=C1	REAL300000521776	1	32	-2.0	-100.22	318.97	4.84	-95.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)S1	REAL300000521784	1	25	-2.0	-88.47	286.74	4.78	-83.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)=C1F	REAL300000521786	1	31	-2.0	-96.66	320.22	6.35	-90.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)C(F)=C1	REAL300000521787	1	28	-2.0	-86.17	299.94	5.73	-80.44
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(Cl)=C(F)C=C2F)=C1	REAL300000521792	0	29	-2.0	-102.36	299.83	3.71	-98.65
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)=C1	REAL300000521799	1	28	-2.0	-87.60	306.21	5.78	-81.82
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000521801	1	31	-2.0	-99.29	315.37	6.44	-92.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)=C1Cl	REAL300000521802	1	31	-2.0	-95.73	326.26	6.79	-88.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)=C1	REAL300000521803	1	31	-2.0	-103.88	315.08	6.43	-97.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)=C1[N+](=O)[O-]	REAL300000521812	0	30	-2.0	-106.24	313.77	7.59	-98.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)=C1F	REAL300000521813	1	28	-2.0	-103.34	293.69	5.77	-97.57
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)=C1	REAL300000521816	0	27	-2.0	-97.44	287.04	3.81	-93.63
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(F)C=C1F	REAL300000521817	1	32	-2.0	-90.75	322.68	5.45	-85.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)=C(Cl)O1	REAL300000521818	1	25	-2.0	-87.09	294.58	4.62	-82.47
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(F)C=C2F)C=C(C(=O)[O-])O1	REAL300000521821	1	31	-2.0	-92.79	316.59	5.64	-87.15
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000521822	0	40	-2.0	-85.08	358.77	3.27	-81.81
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000521823	0	33	-2.0	-100.96	306.84	4.72	-96.24
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000521824	0	41	-2.0	-102.05	361.93	5.79	-96.26
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000521825	0	33	-2.0	-98.31	318.73	5.41	-92.90
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000521826	0	33	-2.0	-91.08	302.29	4.69	-86.39
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000521827	0	33	-2.0	-103.27	302.31	4.69	-98.58
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000521828	0	37	-2.0	-108.61	330.45	4.50	-104.11
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000521829	0	33	-2.0	-98.86	318.55	5.18	-93.68
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000521830	0	37	-2.0	-90.90	333.76	5.98	-84.92
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000521831	0	36	-2.0	-104.41	318.33	5.22	-99.19
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000521832	0	33	-2.0	-98.99	315.38	5.26	-93.73
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000521833	0	33	-2.0	-99.21	314.82	5.08	-94.13
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000521834	0	33	-2.0	-94.69	327.87	5.65	-89.04
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000521835	0	39	-2.0	-106.10	334.70	6.01	-100.09
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000521836	0	33	-2.0	-100.55	307.78	4.75	-95.80
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000521837	0	39	-2.0	-90.10	345.88	6.28	-83.82
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000521838	0	30	-2.0	-97.70	295.49	3.71	-93.99
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000521839	0	36	-2.0	-104.37	317.75	5.48	-98.89
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000521840	1	37	-2.0	-89.53	333.38	4.97	-84.56
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000521841	0	44	-2.0	-86.23	379.14	5.75	-80.48
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000521842	0	30	-2.0	-94.63	312.49	4.48	-90.15
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000521843	0	34	-2.0	-101.59	308.96	4.05	-97.54
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000521844	1	37	-2.0	-104.82	326.52	3.51	-101.31
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000521845	0	33	-2.0	-93.81	311.42	4.37	-89.44
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000521846	1	39	-2.0	-105.47	333.76	6.02	-99.45
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000521847	0	30	-2.0	-99.07	293.96	3.73	-95.34
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000521848	0	41	-2.0	-103.85	360.63	4.51	-99.34
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000521849	1	37	-2.0	-109.21	329.60	4.75	-104.46
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000521850	0	43	-2.0	-107.93	357.55	7.32	-100.61
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000521851	0	42	-2.0	-106.25	356.21	6.71	-99.54
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1CC	REAL300000521852	0	39	-2.0	-102.61	324.56	6.16	-96.45
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000521853	0	40	-2.0	-108.96	352.74	5.25	-103.71
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000521854	0	35	-3.0	-177.66	330.71	5.24	-172.42
CCC1=NC=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000521854	1	36	-2.0	-108.10	330.12	5.28	-102.82
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000521855	0	40	-2.0	-108.38	346.56	6.59	-101.79
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000521856	0	33	-2.0	-97.41	305.31	3.84	-93.57
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000521857	0	39	-2.0	-108.14	344.48	4.46	-103.68
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000521858	0	37	-2.0	-103.84	331.23	3.79	-100.05
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000521859	1	41	-2.0	-90.06	355.23	5.29	-84.77
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000521860	0	33	-2.0	-93.15	329.98	5.54	-87.61
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000521861	0	33	-2.0	-95.89	319.92	5.29	-90.60
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000521862	0	37	-2.0	-88.16	349.41	5.51	-82.65
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000521863	1	40	-2.0	-90.01	353.48	5.68	-84.33
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000521864	0	43	-2.0	-89.23	382.06	5.94	-83.29
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000521865	0	36	-2.0	-95.01	323.02	5.51	-89.50
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000521866	1	46	-2.0	-90.28	395.92	6.61	-83.67
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000521867	0	37	-2.0	-89.16	339.60	5.03	-84.13
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000521868	0	43	-2.0	-88.79	391.86	6.42	-82.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2CC)C=C1C(=O)[O-]	REAL300000521869	1	40	-2.0	-109.86	351.44	5.67	-104.19
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000521870	0	33	-2.0	-100.82	310.94	4.59	-96.23
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000521871	0	33	-2.0	-92.86	330.55	5.71	-87.15
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000521872	0	33	-2.0	-88.66	315.36	5.26	-83.40
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000521873	0	33	-2.0	-88.14	318.71	5.40	-82.74
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000521874	0	33	-2.0	-90.75	306.84	4.73	-86.02
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000521875	0	30	-2.0	-92.68	294.57	3.82	-88.86
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000521876	0	33	-2.0	-94.32	308.71	4.75	-89.57
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000521877	0	36	-2.0	-101.90	328.08	5.39	-96.51
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000521878	0	37	-2.0	-93.29	342.62	5.34	-87.95
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000521879	0	33	-2.0	-90.45	307.77	4.76	-85.69
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000521880	0	33	-2.0	-88.78	314.82	5.09	-83.69
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000521881	0	36	-2.0	-96.68	331.75	5.90	-90.78
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000521882	0	36	-2.0	-93.10	333.14	5.98	-87.12
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000521883	0	41	-2.0	-87.91	366.04	6.10	-81.81
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000521884	0	33	-2.0	-88.31	318.55	5.19	-83.12
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000521885	0	33	-2.0	-92.73	313.13	4.78	-87.95
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000521886	0	35	-2.0	-88.59	330.50	5.36	-83.23
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000521887	0	34	-2.0	-103.22	312.02	2.41	-100.81
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000521888	0	36	-2.0	-97.18	336.19	5.75	-91.43
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000521889	0	36	-2.0	-94.68	324.48	5.47	-89.21
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000521890	0	33	-2.0	-94.09	323.01	5.22	-88.87
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000521891	0	36	-2.0	-99.20	312.35	5.33	-93.87
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000521892	0	36	-2.0	-97.18	335.78	5.99	-91.19
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000521893	0	36	-2.0	-102.25	327.14	5.34	-96.91
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000521894	1	36	-2.0	-91.30	317.72	5.47	-85.83
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000521895	0	39	-2.0	-107.48	339.81	5.89	-101.59
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000521896	0	35	-2.0	-101.94	328.87	5.78	-96.16
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000521897	0	33	-2.0	-92.29	314.05	4.82	-87.47
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000521898	0	30	-2.0	-90.52	314.89	4.39	-86.13
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000521899	1	39	-2.0	-103.25	336.79	6.09	-97.16
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000521900	0	36	-2.0	-102.78	327.62	5.38	-97.40
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000521901	0	36	-2.0	-100.70	334.08	5.83	-94.87
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000521902	0	36	-2.0	-107.85	327.35	5.38	-102.47
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2CC)C=C1C(=O)[O-]	REAL300000521903	0	39	-2.0	-105.11	336.63	5.88	-99.23
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000521904	1	40	-2.0	-105.54	352.77	4.82	-100.72
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000521905	0	36	-2.0	-92.65	328.57	5.87	-86.78
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000521906	0	36	-2.0	-87.76	332.43	5.49	-82.27
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000521907	0	36	-2.0	-101.01	333.53	5.65	-95.36
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000521908	0	33	-2.0	-96.10	323.60	5.30	-90.80
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300000521909	0	36	-2.0	-100.30	336.89	5.97	-94.33
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000521910	0	37	-2.0	-102.87	330.33	4.91	-97.96
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000521911	1	45	-2.0	-102.41	367.22	7.53	-94.88
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000521912	0	33	-2.0	-91.21	327.91	5.24	-85.97
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000521913	0	37	-2.0	-90.11	347.01	4.99	-85.12
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000521914	0	36	-2.0	-96.65	332.17	5.65	-91.00
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000521915	0	42	-2.0	-100.42	345.85	6.64	-93.78
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000521916	0	37	-2.0	-104.62	342.65	5.34	-99.28
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000521917	0	36	-2.0	-91.23	318.32	5.23	-86.00
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000521918	0	38	-2.0	-95.32	345.56	6.88	-88.44
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000521919	1	36	-2.0	-101.98	322.27	5.51	-96.47
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000521920	0	35	-2.0	-109.65	324.26	6.48	-103.17
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000521921	0	33	-2.0	-107.10	305.95	4.71	-102.39
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000521922	0	36	-2.0	-95.03	323.47	5.26	-89.77
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000521923	0	39	-2.0	-111.40	343.34	6.82	-104.58
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000521924	0	32	-2.0	-100.48	299.30	2.76	-97.72
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000521925	0	37	-2.0	-95.10	330.51	4.49	-90.61
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000521926	0	30	-2.0	-91.34	302.41	3.67	-87.67
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000521927	0	37	-2.0	-98.76	346.10	5.24	-93.52
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000521928	0	36	-2.0	-94.49	345.66	1.73	-92.76
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000521929	0	40	-2.0	-97.61	348.44	6.58	-91.03
CCC1=NC=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000521930	0	40	-2.0	-100.20	347.75	6.58	-93.62
CCC1=C(S(=O)(=O)[N-]C2=CC=CN=C2CC)C=C(C(=O)[O-])O1	REAL300000521931	0	36	-2.0	-97.18	321.71	4.61	-92.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=CC=C1F	REAL300000521932	0	36	-2.0	-105.17	336.47	5.33	-99.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1	REAL300000521933	0	36	-2.0	-96.22	331.92	5.31	-90.91
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1	REAL300000521934	0	36	-2.0	-109.36	331.94	5.30	-104.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CN=C1	REAL300000521935	0	40	-2.0	-113.30	360.08	5.11	-108.19
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1	REAL300000521936	0	40	-2.0	-94.73	363.38	6.60	-88.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000521937	0	39	-2.0	-112.07	352.02	5.95	-106.12
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1	REAL300000521938	0	36	-2.0	-103.54	345.01	5.88	-97.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=CC=C1Cl	REAL300000521939	0	36	-2.0	-103.49	344.45	5.70	-97.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1C	REAL300000521940	0	42	-2.0	-110.70	365.04	6.63	-104.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1	REAL300000521941	0	36	-2.0	-105.48	337.41	5.37	-100.11
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1	REAL300000521942	0	42	-2.0	-93.95	375.51	6.90	-87.05
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1	REAL300000521943	0	33	-2.0	-103.57	325.12	4.34	-99.23
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CN=C1	REAL300000521944	0	39	-2.0	-108.75	347.37	6.10	-102.65
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1	REAL300000521945	0	40	-2.0	-93.68	363.01	5.59	-88.09
CN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000521946	0	37	-2.0	-107.51	338.57	4.68	-102.83
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CN=C1	REAL300000521947	0	40	-2.0	-108.90	356.14	4.14	-104.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1	REAL300000521948	0	36	-2.0	-98.87	341.07	4.99	-93.88
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000521949	0	42	-2.0	-109.91	363.34	6.64	-103.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=CS1	REAL300000521950	0	33	-2.0	-103.56	323.54	4.35	-99.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000521951	0	40	-2.0	-113.33	359.22	5.37	-107.96
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CN=C1	REAL300000521952	0	45	-2.0	-110.61	385.83	7.32	-103.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CN=C1	REAL300000521953	0	42	-2.0	-106.35	359.45	6.84	-99.51
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CN=C1	REAL300000521954	0	43	-2.0	-114.96	382.36	5.87	-109.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=CC(C(=O)[O-])=C1	REAL300000521955	0	38	-3.0	-186.31	360.36	5.88	-180.43
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CN=C2C2=CC=CN=C2)=CC(C(=O)[O-])=C1	REAL300000521955	1	39	-2.0	-107.31	361.27	5.84	-101.47
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1	REAL300000521956	0	43	-2.0	-113.23	376.18	7.21	-106.02
CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C(C(=O)[O-])O1	REAL300000521957	0	36	-2.0	-102.62	334.95	4.46	-98.16
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1	REAL300000521958	0	40	-2.0	-109.28	360.85	4.40	-104.88
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=CC=C1OCC(=O)[O-]	REAL300000521959	0	43	-2.0	-93.99	383.09	6.30	-87.69
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CN=C1	REAL300000521960	0	39	-2.0	-99.72	352.63	6.13	-93.59
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000521961	0	43	-2.0	-115.99	381.08	6.28	-109.71
CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C(C(=O)[O-])S1	REAL300000521962	0	36	-2.0	-105.48	340.56	5.21	-100.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C(Cl)=C1	REAL300000521963	0	36	-2.0	-93.54	344.98	5.88	-87.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1F	REAL300000521964	0	36	-2.0	-95.67	336.46	5.34	-90.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)S1	REAL300000521965	0	33	-2.0	-97.76	324.20	4.43	-93.33
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1	REAL300000521966	0	36	-2.0	-98.87	338.36	5.37	-93.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1F	REAL300000521967	0	39	-2.0	-107.06	357.70	6.01	-101.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C(F)=C1	REAL300000521968	0	36	-2.0	-95.68	337.40	5.39	-90.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1Cl	REAL300000521969	0	36	-2.0	-93.72	344.43	5.71	-88.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=CC(F)=C1F	REAL300000521970	0	36	-2.0	-98.50	342.77	5.40	-93.10
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1	REAL300000521971	0	37	-2.0	-107.14	341.65	3.03	-104.11
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1	REAL300000521972	0	39	-2.0	-98.79	354.12	6.09	-92.70
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CN=C1	REAL300000521973	0	39	-2.0	-104.38	341.98	5.94	-98.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=CC(C(=O)[O-])=C1F	REAL300000521974	0	39	-2.0	-106.58	356.79	5.96	-100.62
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CN=C1	REAL300000521975	0	39	-2.0	-96.17	347.35	6.09	-90.08
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=CC(C(=O)[O-])=C1C	REAL300000521976	0	42	-2.0	-112.65	364.85	6.37	-106.28
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1	REAL300000521977	0	36	-2.0	-97.44	343.67	5.43	-92.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C(C)=C1C(=O)[O-]	REAL300000521978	0	42	-2.0	-108.63	366.41	6.69	-101.94
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000521979	0	39	-2.0	-106.67	353.41	5.91	-100.76
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1	REAL300000521980	0	39	-2.0	-112.94	356.98	6.01	-106.93
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000521981	0	42	-2.0	-109.28	366.24	6.49	-102.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1CC(=O)[O-]	REAL300000521982	0	43	-2.0	-112.90	382.40	5.44	-107.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000521983	0	40	-2.0	-107.41	359.87	5.53	-101.88
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=CC=C1C(=O)[O-]	REAL300000521984	0	39	-2.0	-96.39	347.94	5.85	-90.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CN=C1	REAL300000521985	0	39	-2.0	-106.20	351.89	6.14	-100.06
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1F	REAL300000521986	0	36	-2.0	-112.09	335.58	5.34	-106.75
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C1C(=O)[O-]	REAL300000521987	0	39	-2.0	-101.10	353.13	5.88	-95.22
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C1	REAL300000521988	0	35	-2.0	-105.73	328.16	3.43	-102.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1C1=CC=CN=C1	REAL300000521989	0	40	-2.0	-100.11	360.14	5.11	-95.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)=C(Cl)O1	REAL300000521990	0	33	-2.0	-96.76	332.04	4.28	-92.48
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CN=C3C3=CC=CN=C3)C=C2)CC1	REAL300000521991	0	43	-2.0	-102.04	378.05	7.19	-94.85
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CN=C3C3=CC=CN=C3)C=C2C1	REAL300000521992	0	43	-2.0	-105.11	376.04	7.17	-97.94
CCC1=C(S(=O)(=O)[N-]C2=CC=CN=C2C2=CC=CN=C2)C=C(C(=O)[O-])O1	REAL300000521993	0	39	-2.0	-101.96	353.03	5.24	-96.72
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000521994	0	37	-2.0	-113.50	354.12	5.40	-108.10
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000521995	0	37	-2.0	-102.96	349.57	5.38	-97.58
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000521996	0	37	-2.0	-116.21	349.59	5.37	-110.84
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=N1	REAL300000521997	0	41	-2.0	-122.04	377.73	5.17	-116.87
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000521998	0	41	-2.0	-102.57	381.04	6.67	-95.90
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000521999	0	40	-2.0	-118.76	369.65	6.02	-112.74
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000522000	0	37	-2.0	-111.85	362.66	5.94	-105.91
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000522001	0	37	-2.0	-111.95	362.09	5.77	-106.18
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000522002	0	43	-2.0	-119.60	382.25	6.72	-112.88
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000522003	0	37	-2.0	-113.57	355.06	5.44	-108.13
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000522004	0	43	-2.0	-102.05	393.17	6.96	-95.09
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000522005	0	34	-2.0	-110.21	342.78	4.40	-105.81
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000522006	0	40	-2.0	-117.42	365.02	6.15	-111.27
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000522007	0	41	-2.0	-101.32	380.65	5.66	-95.66
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000522008	0	38	-2.0	-114.48	356.24	4.72	-109.76
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000522009	0	41	-2.0	-118.13	373.38	4.21	-113.92
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300000522010	0	37	-2.0	-105.84	358.71	5.06	-100.78
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000522011	0	43	-2.0	-118.72	381.05	6.68	-112.04
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000522012	0	34	-2.0	-111.62	341.24	4.41	-107.21
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000522013	0	41	-2.0	-122.12	376.86	5.44	-116.68
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000522014	0	46	-2.0	-119.70	403.49	7.37	-112.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCC(=O)OC)C=C1	REAL300000522015	0	43	-2.0	-115.72	379.72	7.09	-108.63
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=N1	REAL300000522016	0	44	-2.0	-121.64	400.02	5.94	-115.70
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000522017	0	39	-3.0	-190.93	377.99	5.94	-184.99
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000522018	0	44	-2.0	-121.70	393.83	7.26	-114.44
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300000522019	0	37	-2.0	-109.89	352.59	4.52	-105.37
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=N1	REAL300000522020	0	41	-2.0	-116.28	378.51	4.47	-111.81
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=N1	REAL300000522021	0	44	-2.0	-101.81	400.75	6.36	-95.45
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000522022	0	40	-2.0	-107.65	370.30	6.19	-101.46
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000522023	0	44	-2.0	-122.04	398.72	6.35	-115.69
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300000522024	0	37	-2.0	-113.43	359.28	5.26	-108.17
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000522025	0	37	-2.0	-100.41	362.64	5.92	-94.49
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000522026	0	37	-2.0	-102.29	354.10	5.41	-96.88
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000522027	0	34	-2.0	-104.60	341.84	4.50	-100.10
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000522028	0	37	-2.0	-106.26	355.99	5.44	-100.82
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000522029	0	40	-2.0	-114.96	375.34	6.08	-108.88
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000522030	0	37	-2.0	-102.30	355.05	5.44	-96.86
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000522031	0	37	-2.0	-100.51	362.07	5.78	-94.73
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000522032	0	37	-2.0	-104.79	360.41	5.47	-99.32
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000522033	0	39	-2.0	-100.31	377.78	6.04	-94.27
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000522034	0	38	-2.0	-116.20	359.30	3.10	-113.10
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000522035	0	40	-2.0	-106.88	371.77	6.16	-100.72
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000522036	0	40	-2.0	-111.45	359.66	6.00	-105.45
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000522037	0	40	-2.0	-114.90	374.42	6.02	-108.88
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000522038	0	40	-2.0	-103.34	365.00	6.15	-97.19
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000522039	0	43	-2.0	-120.06	386.39	6.54	-113.52
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000522040	0	39	-2.0	-114.07	376.14	6.47	-107.60
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000522041	0	37	-2.0	-104.89	361.32	5.50	-99.39
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000522042	0	43	-2.0	-115.80	382.98	6.78	-109.02
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000522043	0	40	-2.0	-114.71	371.06	5.97	-108.74
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=N1	REAL300000522044	0	40	-2.0	-120.00	374.62	6.07	-113.93
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CCC(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000522045	0	43	-2.0	-118.18	383.52	6.56	-111.62
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=N1	REAL300000522046	0	44	-2.0	-117.39	400.06	5.50	-111.89
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCC(=O)OC)C=C2)C=C1C(=O)[O-]	REAL300000522047	0	41	-2.0	-115.77	377.61	5.59	-110.18
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000522048	0	40	-2.0	-103.20	365.59	5.92	-97.28
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000522049	0	40	-2.0	-114.94	369.13	6.21	-108.73
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000522050	0	39	-2.0	-122.15	373.31	7.24	-114.91
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000522051	0	37	-2.0	-119.20	353.25	5.41	-113.79
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000522052	0	40	-2.0	-107.64	370.75	5.95	-101.69
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000522053	0	36	-2.0	-113.50	346.57	3.43	-110.07
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300000522054	0	41	-2.0	-107.46	377.79	5.18	-102.28
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000522055	0	34	-2.0	-103.47	349.73	4.35	-99.12
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000522056	0	44	-2.0	-110.03	395.71	7.26	-102.77
COC(=O)CCN1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000522057	0	44	-2.0	-113.30	395.03	7.26	-106.04
CCC1=C(S(=O)(=O)[N-]C2=NN(CCC(=O)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000522058	0	40	-2.0	-109.74	371.72	5.37	-104.37
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1	REAL300000522059	0	37	-2.0	-85.63	343.13	-0.81	-86.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC=C1F	REAL300000522060	0	30	-2.0	-100.92	291.20	0.63	-100.29
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCOC2=C1	REAL300000522061	0	38	-2.0	-102.42	346.29	1.69	-100.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1	REAL300000522062	0	30	-2.0	-91.18	286.65	0.61	-90.57
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522063	0	30	-2.0	-102.54	286.67	0.59	-101.95
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCOC2=C1	REAL300000522064	0	34	-2.0	-108.32	314.82	0.40	-107.92
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1	REAL300000522065	0	34	-2.0	-91.39	318.12	1.91	-89.48
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000522066	0	33	-2.0	-103.53	302.69	1.13	-102.40
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522067	0	30	-2.0	-98.73	299.74	1.18	-97.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC=C1Cl	REAL300000522068	0	30	-2.0	-99.05	299.18	0.99	-98.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C(Cl)C=C1Cl	REAL300000522069	0	30	-2.0	-94.84	312.24	1.55	-93.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1C	REAL300000522070	0	36	-2.0	-106.13	319.07	1.91	-104.22
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522071	0	30	-2.0	-99.85	292.15	0.66	-99.19
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1	REAL300000522072	0	36	-2.0	-90.45	330.24	2.18	-88.27
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522073	0	27	-2.0	-97.46	279.86	-0.37	-97.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCOC2=C1	REAL300000522074	0	33	-2.0	-104.38	302.11	1.38	-103.00
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1	REAL300000522075	1	34	-2.0	-90.03	317.74	0.88	-89.15
CN1C=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000522076	0	31	-2.0	-101.39	293.32	-0.04	-101.43
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCOC2=C1	REAL300000522077	1	34	-2.0	-104.91	310.88	-0.58	-105.49
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522078	0	30	-2.0	-93.50	295.78	0.28	-93.22
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000522079	1	36	-2.0	-105.81	317.74	1.94	-103.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CS1	REAL300000522080	0	27	-2.0	-98.68	278.33	-0.36	-99.04
COC1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000522081	0	38	-2.0	-103.39	344.99	0.42	-102.97
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000522082	1	34	-2.0	-108.81	313.96	0.67	-108.14
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522083	0	40	-2.0	-107.78	341.91	3.23	-104.55
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCOC2=C1	REAL300000522084	0	39	-2.0	-106.36	340.57	2.61	-103.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCOC2=C1	REAL300000522085	0	36	-2.0	-103.25	316.84	2.33	-100.92
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCOC2=C1	REAL300000522086	0	37	-2.0	-108.18	337.10	1.16	-107.02
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522087	0	32	-3.0	-175.55	315.08	1.18	-174.37
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CN=C3OCOC3=C2)=C1	REAL300000522087	1	33	-2.0	-112.75	317.51	1.17	-111.58
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522088	0	37	-2.0	-107.65	330.92	2.51	-105.14
CC1=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C(C(=O)[O-])O1	REAL300000522089	0	30	-2.0	-97.33	289.68	-0.25	-97.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC2=C1OCCO2	REAL300000522090	0	36	-2.0	-107.19	328.84	0.39	-106.80
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522091	0	34	-2.0	-103.67	315.66	-0.31	-103.98
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN=C4OCOC4=C3)C=C2C1	REAL300000522092	1	38	-2.0	-90.22	339.59	1.20	-89.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC(Cl)=C1Cl	REAL300000522093	0	30	-2.0	-92.62	314.36	1.44	-91.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C(Cl)C=C1F	REAL300000522094	0	30	-2.0	-96.11	304.26	1.20	-94.91
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1Cl	REAL300000522095	0	34	-2.0	-88.71	333.77	1.42	-87.29
CC1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC=C1OCC(=O)[O-]	REAL300000522096	1	37	-2.0	-90.36	337.83	1.58	-88.78
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1F	REAL300000522097	0	40	-2.0	-89.93	366.42	1.85	-88.08
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCOC2=C1	REAL300000522098	0	33	-2.0	-95.24	307.38	1.42	-93.82
CC1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC=C1OCCCC(=O)[O-]	REAL300000522099	1	43	-2.0	-90.73	380.27	2.51	-88.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1F	REAL300000522100	0	34	-2.0	-89.73	323.96	0.94	-88.79
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000522101	1	37	-2.0	-109.01	335.81	1.59	-107.42
CC1=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C(C(=O)[O-])S1	REAL300000522102	0	30	-2.0	-100.82	296.37	0.49	-100.33
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522103	0	30	-2.0	-92.92	314.89	1.62	-91.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C(Cl)=C1	REAL300000522104	0	30	-2.0	-88.97	299.73	1.17	-87.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1F	REAL300000522105	0	30	-2.0	-90.92	291.21	0.64	-90.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)S1	REAL300000522106	0	27	-2.0	-92.42	278.95	-0.28	-92.70
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522107	0	30	-2.0	-93.77	293.08	0.66	-93.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1F	REAL300000522108	0	33	-2.0	-101.33	312.42	1.30	-100.03
COC1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000522109	0	34	-2.0	-93.58	326.97	1.23	-92.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C(F)=C1	REAL300000522110	0	30	-2.0	-90.25	292.12	0.68	-89.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1Cl	REAL300000522111	0	30	-2.0	-88.82	299.18	1.00	-87.82
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCOC2=C1	REAL300000522112	0	33	-2.0	-96.82	316.12	1.81	-95.01
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1	REAL300000522113	0	38	-2.0	-88.42	350.41	2.02	-86.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC(F)=C1F	REAL300000522114	0	30	-2.0	-92.41	297.51	0.69	-91.72
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522115	0	32	-2.0	-88.55	314.87	1.26	-87.29
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522116	0	31	-2.0	-103.43	296.39	-1.68	-105.11
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1	REAL300000522117	0	33	-2.0	-94.65	308.84	1.38	-93.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC(Cl)=C1F	REAL300000522118	0	30	-2.0	-93.70	307.39	1.12	-92.58
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C2OCOC2=C1	REAL300000522119	0	33	-2.0	-98.84	296.74	1.23	-97.61
CC1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC(C(=O)[O-])=C1F	REAL300000522120	0	33	-2.0	-102.09	311.51	1.25	-100.84
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C2OCOC2=C1	REAL300000522121	1	33	-2.0	-91.69	302.08	1.39	-90.30
CC1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC(C(=O)[O-])=C1C	REAL300000522122	0	36	-2.0	-106.94	324.17	1.79	-105.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC=C1[N+](=O)[O-]	REAL300000522123	0	32	-2.0	-101.87	313.23	1.69	-100.18
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522124	0	30	-2.0	-91.93	298.43	0.73	-91.20
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C(C)=C1C(=O)[O-]	REAL300000522125	1	36	-2.0	-103.29	320.06	2.01	-101.28
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000522126	0	33	-2.0	-102.25	311.99	1.30	-100.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1Cl	REAL300000522127	0	33	-2.0	-100.61	318.45	1.74	-98.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522128	0	33	-2.0	-106.72	311.71	1.29	-105.43
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000522129	0	36	-2.0	-104.23	320.64	1.78	-102.45
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1CC(=O)[O-]	REAL300000522130	1	37	-2.0	-105.08	337.14	0.72	-104.36
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN=C2OCOC2=C1	REAL300000522131	0	33	-2.0	-93.33	317.21	1.86	-91.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1C(F)(F)F	REAL300000522132	0	33	-2.0	-87.98	316.80	1.41	-86.57
CC1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000522133	0	33	-2.0	-100.63	317.90	1.55	-99.08
CCN1C=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000522134	0	34	-2.0	-102.61	314.69	0.82	-101.79
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C(C)=C1CC(=O)[O-]	REAL300000522135	1	42	-2.0	-102.80	351.82	3.47	-99.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C(F)C(Cl)=C1F	REAL300000522136	0	30	-2.0	-90.80	312.25	1.17	-89.63
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000522137	0	33	-2.0	-97.43	320.41	1.67	-95.76
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C(C(=O)[O-])S1	REAL300000522138	0	39	-2.0	-101.20	336.11	2.74	-98.46
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000522139	0	34	-2.0	-104.24	327.00	1.24	-103.00
CC1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC=C1C(=O)[O-]	REAL300000522140	0	33	-2.0	-92.77	306.74	1.24	-91.53
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C([N+](=O)[O-])=C1	REAL300000522141	0	35	-2.0	-95.90	329.94	2.79	-93.11
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCOC2=C1	REAL300000522142	1	33	-2.0	-102.20	306.63	1.42	-100.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1[N+](=O)[O-]	REAL300000522143	0	32	-2.0	-109.61	310.41	2.45	-107.16
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1F	REAL300000522144	0	30	-2.0	-106.18	290.33	0.64	-105.54
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000522145	0	33	-2.0	-95.70	311.61	1.27	-94.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=CC2=CC=CC=C21	REAL300000522146	0	36	-2.0	-110.33	327.72	2.72	-107.61
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C1	REAL300000522147	0	29	-2.0	-100.33	282.89	-1.27	-101.60
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C2OCOC2=C1	REAL300000522148	0	34	-2.0	-95.06	314.87	0.41	-94.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)=C(Cl)O1	REAL300000522149	0	27	-2.0	-91.35	286.82	-0.42	-91.77
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN=C4OCOC4=C3)C=C2)CC1	REAL300000522150	0	37	-2.0	-97.85	332.80	2.48	-95.37
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN=C4OCOC4=C3)C=C2C1	REAL300000522151	0	37	-2.0	-100.33	332.12	2.48	-97.85
CCC1=C(S(=O)(=O)[N-]C2=CN=C3OCOC3=C2)C=C(C(=O)[O-])O1	REAL300000522152	0	33	-2.0	-97.30	308.80	0.60	-96.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=CC=C1F	REAL300000522153	0	32	-2.0	-120.04	320.16	5.50	-114.54
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CC2(F)F)C=C1	REAL300000522154	0	40	-2.0	-121.36	375.23	6.58	-114.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1	REAL300000522155	0	32	-2.0	-108.97	315.61	5.48	-103.49
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000522156	0	32	-2.0	-122.88	315.61	5.47	-117.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CC2(F)F)C=C1	REAL300000522157	0	36	-2.0	-129.00	343.75	5.28	-123.72
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1	REAL300000522158	0	36	-2.0	-108.52	347.09	6.76	-101.76
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000522159	0	35	-2.0	-122.78	331.65	6.00	-116.78
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000522160	0	32	-2.0	-118.53	328.68	6.03	-112.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=CC=C1Cl	REAL300000522161	0	32	-2.0	-118.47	328.14	5.86	-112.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1C	REAL300000522162	0	38	-2.0	-126.22	348.74	6.79	-119.43
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000522163	0	32	-2.0	-120.34	321.09	5.53	-114.81
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1	REAL300000522164	0	38	-2.0	-108.10	359.21	7.06	-101.04
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000522165	0	29	-2.0	-116.64	308.81	4.49	-112.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CC2(F)F)C=C1	REAL300000522166	0	35	-2.0	-124.26	331.05	6.24	-118.02
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1	REAL300000522167	0	36	-2.0	-107.25	346.71	5.76	-101.49
CN1C=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000522168	0	33	-2.0	-120.92	322.24	4.82	-116.10
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CC2(F)F)C=C1	REAL300000522169	0	36	-2.0	-124.55	339.81	4.28	-120.27
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000522170	0	32	-2.0	-111.79	324.73	5.15	-106.64
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000522171	0	38	-2.0	-125.64	347.07	6.78	-118.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=CS1	REAL300000522172	0	29	-2.0	-118.17	307.26	4.50	-113.67
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000522173	0	36	-2.0	-127.35	342.91	5.54	-121.81
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000522174	0	42	-2.0	-128.41	370.85	8.10	-120.31
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CC2(F)F)C=C1	REAL300000522175	0	41	-2.0	-126.66	369.52	7.47	-119.19
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CC2(F)F)C=C1	REAL300000522176	0	38	-2.0	-122.56	345.75	7.18	-115.38
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CC2(F)F)C=C1	REAL300000522177	0	39	-2.0	-129.27	366.06	6.04	-123.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300000522178	0	34	-3.0	-197.86	344.03	6.03	-191.83
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000522179	0	39	-2.0	-128.78	359.87	7.35	-121.43
CC1=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000522180	0	32	-2.0	-116.30	318.63	4.61	-111.69
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000522181	0	36	-2.0	-122.39	344.62	4.56	-117.83
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NN(C4CC4(F)F)C=C3)C=C2C1	REAL300000522182	0	40	-2.0	-108.46	369.26	6.09	-102.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C(Cl)C=C1F	REAL300000522183	0	32	-2.0	-114.88	333.20	6.04	-108.84
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=CC=C1OCC(=O)[O-]	REAL300000522184	0	39	-2.0	-107.79	366.77	6.46	-101.33
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CC2(F)F)C=C1	REAL300000522185	0	35	-2.0	-114.22	336.35	6.27	-107.95
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1F	REAL300000522186	0	36	-2.0	-106.36	352.92	5.82	-100.54
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000522187	0	39	-2.0	-127.94	364.76	6.45	-121.49
CC1=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000522188	0	32	-2.0	-120.03	325.32	5.35	-114.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C(Cl)=C1	REAL300000522189	0	32	-2.0	-106.23	328.67	6.02	-100.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1F	REAL300000522190	0	32	-2.0	-108.14	320.14	5.51	-102.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)S1	REAL300000522191	0	29	-2.0	-110.58	307.86	4.60	-105.98
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000522192	0	32	-2.0	-112.27	322.03	5.54	-106.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1F	REAL300000522193	0	35	-2.0	-121.90	341.39	6.17	-115.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C(F)=C1	REAL300000522194	0	32	-2.0	-108.22	321.09	5.54	-102.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1Cl	REAL300000522195	0	32	-2.0	-106.35	328.11	5.87	-100.48
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CC2(F)F)C=C1	REAL300000522196	0	35	-2.0	-116.06	345.09	6.66	-109.40
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1	REAL300000522197	0	40	-2.0	-105.16	379.36	6.88	-98.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=CC(F)=C1F	REAL300000522198	0	32	-2.0	-111.05	326.45	5.56	-105.49
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000522199	0	34	-2.0	-106.98	343.81	6.14	-100.84
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000522200	0	33	-2.0	-123.15	325.34	3.20	-119.95
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1	REAL300000522201	0	35	-2.0	-113.27	337.81	6.26	-107.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=CC(Cl)=C1F	REAL300000522202	0	32	-2.0	-112.66	336.34	6.00	-106.66
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C2CC2(F)F)C=C1	REAL300000522203	0	35	-2.0	-117.25	325.69	6.10	-111.15
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=CC(C(=O)[O-])=C1F	REAL300000522204	0	35	-2.0	-121.37	340.46	6.12	-115.25
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2CC2(F)F)C=C1	REAL300000522205	0	35	-2.0	-109.28	331.04	6.23	-103.05
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=CC(C(=O)[O-])=C1C	REAL300000522206	0	38	-2.0	-126.07	349.09	6.55	-119.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=CC=C1[N+](=O)[O-]	REAL300000522207	0	34	-2.0	-120.39	342.18	6.56	-113.83
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000522208	0	32	-2.0	-111.48	327.36	5.60	-105.88
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C(C)=C1C(=O)[O-]	REAL300000522209	0	38	-2.0	-121.47	350.08	6.85	-114.62
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000522210	0	35	-2.0	-121.62	337.08	6.07	-115.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1Cl	REAL300000522211	0	35	-2.0	-120.42	347.39	6.60	-113.82
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000522212	0	35	-2.0	-125.95	340.66	6.16	-119.79
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000522213	0	38	-2.0	-124.96	349.86	6.66	-118.30
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1CC(=O)[O-]	REAL300000522214	0	39	-2.0	-123.67	366.11	5.60	-118.07
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C2CC2(F)F)C=C1	REAL300000522215	0	35	-2.0	-110.54	341.88	6.65	-103.89
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000522216	0	35	-2.0	-120.31	346.85	6.43	-113.88
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000522217	0	36	-2.0	-122.25	343.66	5.69	-116.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C(C)=C1CC(=O)[O-]	REAL300000522218	0	44	-2.0	-121.66	380.77	8.35	-113.31
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000522219	0	35	-2.0	-116.02	345.49	6.44	-109.58
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000522220	0	35	-2.0	-109.23	331.64	6.01	-103.22
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CC2(F)F)C=C1	REAL300000522221	0	35	-2.0	-121.59	335.16	6.31	-115.28
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1[N+](=O)[O-]	REAL300000522222	0	34	-2.0	-127.81	339.35	7.33	-120.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1F	REAL300000522223	0	32	-2.0	-125.10	319.25	5.49	-119.61
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000522224	0	35	-2.0	-114.19	336.79	6.04	-108.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=CC2=CC=CC=C21	REAL300000522225	0	38	-2.0	-129.85	356.67	7.60	-122.25
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000522226	0	31	-2.0	-120.15	312.62	3.52	-116.63
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2CC2(F)F)C=C1	REAL300000522227	0	36	-2.0	-113.55	343.83	5.28	-108.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)=C(Cl)O1	REAL300000522228	0	29	-2.0	-109.57	315.71	4.43	-105.14
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN(C4CC4(F)F)C=C3)C=C2)CC1	REAL300000522229	0	39	-2.0	-115.76	361.75	7.36	-108.40
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN(C4CC4(F)F)C=C3)C=C2C1	REAL300000522230	0	39	-2.0	-119.49	361.07	7.37	-112.12
CCC1=C(S(=O)(=O)[N-]C2=NN(C3CC3(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000522231	0	35	-2.0	-116.16	337.73	5.46	-110.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=CC=C1F	REAL300000522232	0	33	-2.0	-111.81	328.49	3.07	-108.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C1	REAL300000522233	0	33	-2.0	-102.07	323.92	3.05	-99.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=C1	REAL300000522234	0	33	-2.0	-114.41	323.95	3.04	-111.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=C1C(=O)NC2	REAL300000522235	0	37	-2.0	-118.10	352.09	2.84	-115.26
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C1	REAL300000522236	0	37	-2.0	-100.61	355.40	4.33	-96.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000522237	0	36	-2.0	-115.74	339.96	3.57	-112.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=C1C	REAL300000522238	0	39	-2.0	-115.50	355.94	4.37	-111.13
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=C1	REAL300000522239	0	33	-2.0	-110.53	329.42	3.10	-107.43
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C1	REAL300000522240	0	39	-2.0	-99.65	367.53	4.62	-95.03
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=C1	REAL300000522241	0	30	-2.0	-108.82	317.13	2.05	-106.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=C1C(=O)NC2	REAL300000522242	0	36	-2.0	-113.19	339.38	3.81	-109.38
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C1	REAL300000522243	0	37	-2.0	-99.39	355.01	3.32	-96.07
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000522244	0	34	-2.0	-112.95	330.60	2.40	-110.55
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=C1C(=O)NC2	REAL300000522245	0	37	-2.0	-113.24	348.14	1.84	-111.40
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=C1	REAL300000522246	0	33	-2.0	-105.17	333.08	2.73	-102.44
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000522247	0	39	-2.0	-114.47	355.39	4.35	-110.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=CS1	REAL300000522248	0	30	-2.0	-110.18	315.59	2.07	-108.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000522249	0	37	-2.0	-120.34	351.23	3.11	-117.23
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=C1C(=O)NC2	REAL300000522250	0	39	-2.0	-110.17	352.44	4.75	-105.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C(C(=O)[O-])O1	REAL300000522251	0	33	-2.0	-107.23	326.95	2.18	-105.05
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=C1	REAL300000522252	0	37	-2.0	-117.66	352.86	2.14	-115.52
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=C1C(=O)NC2	REAL300000522253	0	36	-2.0	-104.68	344.24	3.88	-100.80
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C(C(=O)[O-])S1	REAL300000522254	0	33	-2.0	-109.95	332.57	2.93	-107.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C1F	REAL300000522255	0	33	-2.0	-101.57	328.46	3.08	-98.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)S1	REAL300000522256	0	30	-2.0	-103.87	316.20	2.17	-101.70
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=C1	REAL300000522257	0	33	-2.0	-105.37	330.35	3.11	-102.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=C1F	REAL300000522258	0	36	-2.0	-112.14	349.70	3.74	-108.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C(F)=C1	REAL300000522259	0	33	-2.0	-101.91	329.41	3.11	-98.80
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=C1	REAL300000522260	0	34	-2.0	-111.21	333.66	0.75	-110.46
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C1	REAL300000522261	0	36	-2.0	-104.36	346.13	3.82	-100.54
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=C1C(=O)NC2	REAL300000522262	0	36	-2.0	-112.07	333.98	3.67	-108.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=CC(C(=O)[O-])=C1F	REAL300000522263	0	36	-2.0	-113.35	348.79	3.69	-109.66
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=C1C(=O)NC2	REAL300000522264	0	36	-2.0	-101.67	339.36	3.80	-97.87
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=CC(C(=O)[O-])=C1C	REAL300000522265	0	39	-2.0	-117.71	357.41	4.12	-113.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C(C)=C1C(=O)[O-]	REAL300000522266	0	39	-2.0	-116.61	358.42	4.42	-112.19
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000522267	0	36	-2.0	-111.73	345.42	3.64	-108.09
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=C1	REAL300000522268	0	36	-2.0	-121.38	348.96	3.73	-117.65
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000522269	0	39	-2.0	-116.44	358.27	4.23	-112.21
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000522270	0	37	-2.0	-114.31	351.90	3.24	-111.07
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=CC=C1C(=O)[O-]	REAL300000522271	0	36	-2.0	-102.27	339.95	3.58	-98.69
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=C1C(=O)NC2	REAL300000522272	0	36	-2.0	-110.45	343.89	3.84	-106.61
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=C1F	REAL300000522273	0	33	-2.0	-120.44	327.57	3.07	-117.37
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C1C(=O)[O-]	REAL300000522274	0	36	-2.0	-107.26	348.90	3.72	-103.54
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=C1	REAL300000522275	0	32	-2.0	-109.61	320.92	1.09	-108.52
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=C1C(=O)NC2	REAL300000522276	0	37	-2.0	-106.04	352.15	2.84	-103.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)=C(Cl)O1	REAL300000522277	0	30	-2.0	-101.72	324.05	2.01	-99.71
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=C2C(=O)NC3)C=C(C(=O)[O-])O1	REAL300000522278	0	36	-2.0	-106.22	346.07	3.04	-103.18
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000522279	1	39	-2.0	-110.44	354.79	7.08	-103.36
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000522280	1	39	-2.0	-100.47	350.25	7.06	-93.41
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000522281	1	39	-2.0	-113.05	350.25	7.05	-106.00
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000522282	0	43	-2.0	-117.53	378.39	6.85	-110.68
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000522283	1	43	-2.0	-99.58	381.72	8.34	-91.24
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000522284	1	42	-2.0	-114.23	366.27	7.58	-106.65
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000522285	0	39	-2.0	-107.55	363.32	7.62	-99.93
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000522286	1	39	-2.0	-108.80	362.76	7.44	-101.36
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000522287	1	45	-2.0	-114.80	382.93	8.40	-106.40
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000522288	0	39	-2.0	-109.48	355.73	7.11	-102.37
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000522289	1	45	-2.0	-98.68	393.81	8.64	-90.04
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000522290	0	36	-2.0	-107.29	343.43	6.06	-101.23
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000522291	1	42	-2.0	-112.61	365.68	7.84	-104.77
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000522293	0	40	-2.0	-111.47	356.90	6.40	-105.07
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000522295	0	39	-2.0	-103.48	359.36	6.73	-96.75
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000522297	0	36	-2.0	-108.71	341.90	6.08	-102.63
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000522299	1	48	-2.0	-114.78	404.15	9.06	-105.72
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000522300	1	45	-2.0	-110.58	380.42	8.77	-101.81
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000522301	0	46	-2.0	-116.50	400.68	7.60	-108.90
CCCC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000522302	0	42	-2.0	-119.79	385.37	7.47	-112.32
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000522302	1	41	-3.0	-189.98	378.66	7.61	-182.37
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000522303	1	46	-2.0	-116.90	394.50	8.94	-107.96
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000522304	0	39	-2.0	-106.07	353.28	6.19	-99.88
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000522305	0	43	-2.0	-115.72	379.16	6.15	-109.57
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000522306	0	39	-2.0	-104.23	367.84	7.64	-96.59
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000522308	1	42	-2.0	-103.35	370.96	7.86	-95.49
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000522309	1	43	-2.0	-97.75	387.55	7.40	-90.35
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000522311	0	39	-2.0	-109.05	359.94	6.94	-102.11
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000522312	0	39	-2.0	-97.91	363.30	7.61	-90.30
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000522313	1	39	-2.0	-99.89	354.77	7.09	-92.80
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000522314	0	36	-2.0	-102.23	342.52	6.17	-96.06
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000522315	1	39	-2.0	-103.81	356.66	7.12	-96.69
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000522316	0	42	-2.0	-110.99	376.01	7.75	-103.24
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000522317	0	39	-2.0	-100.10	355.71	7.12	-92.98
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000522318	1	39	-2.0	-97.98	362.74	7.45	-90.53
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000522319	1	42	-2.0	-104.97	379.69	8.26	-96.71
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000522320	1	39	-2.0	-101.93	361.07	7.14	-94.79
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000522321	0	41	-2.0	-97.92	378.44	7.72	-90.20
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000522322	0	40	-2.0	-111.05	359.95	4.78	-106.27
CCCC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000522322	1	40	-2.0	-110.42	359.07	5.63	-104.79
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000522323	1	42	-2.0	-103.11	372.42	7.83	-95.28
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000522324	1	39	-2.0	-103.37	370.96	7.58	-95.79
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000522325	1	42	-2.0	-110.12	360.31	7.69	-102.43
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000522326	1	42	-2.0	-111.85	375.08	7.70	-104.15
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000522328	1	45	-2.0	-116.20	383.13	8.12	-108.08
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000522329	0	41	-2.0	-111.22	376.82	8.15	-103.07
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000522330	0	39	-2.0	-101.36	362.00	7.17	-94.19
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000522332	0	42	-2.0	-111.80	375.57	7.75	-104.05
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000522333	0	42	-2.0	-109.34	382.01	8.19	-101.15
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000522334	0	42	-2.0	-119.31	375.28	7.74	-111.57
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000522335	1	45	-2.0	-114.92	384.53	8.24	-106.68
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000522336	1	46	-2.0	-113.55	400.73	7.18	-106.37
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000522337	1	42	-2.0	-102.99	376.51	8.22	-94.77
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000522338	1	42	-2.0	-110.65	381.47	8.02	-102.63
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000522339	0	43	-2.0	-112.82	378.38	7.26	-105.56
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000522340	1	42	-2.0	-107.60	383.99	8.12	-99.48
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000522341	1	42	-2.0	-100.61	366.26	7.59	-93.02
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000522342	1	42	-2.0	-110.23	369.79	7.89	-102.34
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000522343	0	41	-2.0	-121.67	373.97	8.91	-112.76
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000522344	0	39	-2.0	-118.50	353.91	7.08	-111.42
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000522345	1	42	-2.0	-105.75	375.19	7.73	-98.02
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000522346	1	45	-2.0	-121.46	391.29	9.17	-112.29
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000522347	0	38	-2.0	-108.84	347.23	5.10	-103.74
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000522348	0	43	-2.0	-104.62	378.45	6.85	-97.77
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000522349	0	36	-2.0	-100.24	350.39	6.02	-94.22
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000522350	1	46	-2.0	-106.33	396.37	8.94	-97.39
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000522351	1	46	-2.0	-112.03	395.69	8.93	-103.10
CCCC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000522352	0	42	-2.0	-105.59	372.38	7.03	-98.56
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=NS1	REAL300000522353	0	34	-2.0	-92.28	332.49	2.92	-89.36
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NS1	REAL300000522354	0	27	-2.0	-108.42	280.55	4.36	-104.06
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NSC(C)=C1	REAL300000522355	0	35	-2.0	-110.45	335.63	5.43	-105.02
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=NS1	REAL300000522356	0	27	-2.0	-106.48	292.44	5.05	-101.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NSC(C)=C1	REAL300000522357	0	31	-2.0	-117.04	304.16	4.14	-112.90
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=NS1	REAL300000522358	0	27	-2.0	-106.29	292.26	4.82	-101.47
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NS1	REAL300000522359	0	31	-2.0	-98.32	307.48	5.63	-92.69
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NS1	REAL300000522360	0	30	-2.0	-112.00	292.04	4.87	-107.13
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NS1	REAL300000522361	0	27	-2.0	-107.16	289.09	4.91	-102.25
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NS1	REAL300000522362	0	27	-2.0	-106.74	288.52	4.73	-102.01
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=NS1	REAL300000522363	0	27	-2.0	-102.58	301.58	5.29	-97.29
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=NS1	REAL300000522364	0	33	-2.0	-114.34	309.12	5.67	-108.67
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NS1	REAL300000522365	0	27	-2.0	-108.77	281.49	4.40	-104.37
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NS1	REAL300000522366	0	33	-2.0	-97.67	319.59	5.92	-91.75
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NS1	REAL300000522367	0	24	-2.0	-104.74	269.21	3.36	-101.38
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NS1	REAL300000522368	0	30	-2.0	-112.46	291.45	5.12	-107.34
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NS1	REAL300000522369	0	31	-2.0	-96.94	307.10	4.62	-92.32
CC1=CC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=NS1	REAL300000522370	0	38	-2.0	-93.60	352.85	5.40	-88.20
CC1=CC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=NS1	REAL300000522371	0	24	-2.0	-102.06	286.20	4.12	-97.94
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NS1	REAL300000522372	0	28	-2.0	-109.27	282.66	3.68	-105.59
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NS1	REAL300000522373	0	31	-2.0	-112.86	300.22	3.15	-109.71
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)=NS1	REAL300000522374	0	27	-2.0	-106.18	300.94	4.97	-101.21
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NS1	REAL300000522375	0	27	-2.0	-101.02	285.14	4.02	-97.00
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=NS1	REAL300000522376	0	33	-2.0	-115.04	311.47	5.75	-109.29
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NS1	REAL300000522377	0	24	-2.0	-106.19	267.67	3.38	-102.81
COC1=CC(S(=O)(=O)[N-]C2=NSC(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000522378	0	35	-2.0	-110.90	334.33	4.14	-106.76
COC1=CC=C(S(=O)(=O)[N-]C2=NSC(C)=C2)C=C1C(=O)[O-]	REAL300000522379	0	31	-2.0	-116.69	303.30	4.40	-112.29
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=NS1	REAL300000522380	0	37	-2.0	-116.38	331.25	6.98	-109.40
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=NS1	REAL300000522381	0	36	-2.0	-114.89	329.92	6.34	-108.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NSC(C)=C1	REAL300000522382	0	33	-2.0	-111.11	306.15	6.08	-105.03
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NSC(C)=C1	REAL300000522383	0	34	-2.0	-117.27	326.45	4.90	-112.37
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=NS1	REAL300000522384	0	29	-3.0	-184.70	304.42	4.90	-179.80
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=NS1	REAL300000522385	0	34	-2.0	-116.68	320.26	6.23	-110.45
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NS1	REAL300000522386	0	27	-2.0	-105.05	279.02	3.48	-101.57
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=NS1	REAL300000522387	0	33	-2.0	-115.45	318.19	4.11	-111.34
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=NS1	REAL300000522388	0	31	-2.0	-111.59	305.01	3.42	-108.17
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=NS1	REAL300000522389	0	35	-2.0	-98.26	329.65	4.95	-93.31
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=NS1	REAL300000522390	0	27	-2.0	-100.37	303.69	5.18	-95.19
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=NS1	REAL300000522391	0	27	-2.0	-103.71	293.61	4.94	-98.77
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=NS1	REAL300000522392	0	31	-2.0	-95.38	323.11	5.16	-90.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=NS1	REAL300000522393	0	34	-2.0	-97.30	327.17	5.32	-91.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=NS1	REAL300000522394	0	37	-2.0	-96.23	355.76	5.58	-90.65
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NS1	REAL300000522395	0	30	-2.0	-102.71	296.73	5.15	-97.56
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=NS1	REAL300000522396	0	40	-2.0	-97.61	369.61	6.25	-91.36
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=NS1	REAL300000522397	0	31	-2.0	-96.28	313.31	4.68	-91.60
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)=NS1	REAL300000522398	0	37	-2.0	-95.98	365.56	6.07	-89.91
CCOC1=CC=C(S(=O)(=O)[N-]C2=NSC(C)=C2)C=C1C(=O)[O-]	REAL300000522399	0	34	-2.0	-117.39	325.15	5.31	-112.08
CC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NS1	REAL300000522400	0	27	-2.0	-108.67	285.71	4.22	-104.45
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=NS1	REAL300000522401	0	27	-2.0	-100.71	304.25	5.36	-95.35
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NS1	REAL300000522402	0	27	-2.0	-95.63	289.07	4.90	-90.73
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=NS1	REAL300000522403	0	27	-2.0	-95.14	292.42	5.05	-90.09
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NS1	REAL300000522404	0	27	-2.0	-97.56	280.53	4.37	-93.19
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NS1	REAL300000522405	0	24	-2.0	-99.55	268.27	3.46	-96.09
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NS1	REAL300000522406	0	27	-2.0	-101.67	282.42	4.40	-97.27
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=NS1	REAL300000522407	0	30	-2.0	-109.90	301.78	5.04	-104.86
COC1=CC(S(=O)(=O)[N-]C2=NSC(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000522408	0	31	-2.0	-100.10	316.32	4.96	-95.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NS1	REAL300000522409	0	27	-2.0	-97.41	281.48	4.40	-93.01
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NS1	REAL300000522410	0	27	-2.0	-95.69	288.50	4.73	-90.96
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=NS1	REAL300000522411	0	30	-2.0	-104.43	305.46	5.53	-98.90
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)=NS1	REAL300000522412	0	30	-2.0	-100.87	311.12	5.69	-95.18
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=NS1	REAL300000522413	0	35	-2.0	-95.08	339.76	5.74	-89.34
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=NS1	REAL300000522414	0	27	-2.0	-95.32	292.24	4.83	-90.49
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NS1	REAL300000522415	0	27	-2.0	-99.64	286.84	4.43	-95.21
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=NS1	REAL300000522416	0	29	-2.0	-95.70	304.21	5.00	-90.70
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NS1	REAL300000522417	0	28	-2.0	-111.78	285.73	2.06	-109.72
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=NS1	REAL300000522418	0	30	-2.0	-104.58	309.90	5.39	-99.19
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NS1	REAL300000522419	0	30	-2.0	-102.39	298.19	5.12	-97.27
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=NS1	REAL300000522420	0	27	-2.0	-101.25	296.72	4.86	-96.39
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NS1	REAL300000522421	0	30	-2.0	-106.38	286.09	4.97	-101.41
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)=NS1	REAL300000522422	0	30	-2.0	-105.01	309.49	5.62	-99.39
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=NS1	REAL300000522423	0	30	-2.0	-109.42	300.85	4.98	-104.44
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NS1	REAL300000522424	0	30	-2.0	-98.44	291.43	5.10	-93.34
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=NS1	REAL300000522425	0	33	-2.0	-113.89	308.90	5.40	-108.49
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=NS1	REAL300000522426	0	29	-2.0	-108.93	302.58	5.42	-103.51
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NS1	REAL300000522427	0	27	-2.0	-100.03	287.75	4.46	-95.57
CC1=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=NS1	REAL300000522428	0	24	-2.0	-96.84	286.01	4.16	-92.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NS1	REAL300000522429	0	33	-2.0	-110.61	310.49	5.73	-104.88
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=NS1	REAL300000522430	0	30	-2.0	-109.65	297.51	4.93	-104.72
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=NS1	REAL300000522431	0	30	-2.0	-108.66	307.78	5.48	-103.18
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=NS1	REAL300000522432	0	30	-2.0	-114.88	301.05	5.02	-109.86
CCC1=CC=C(S(=O)(=O)[N-]C2=NSC(C)=C2)C=C1C(=O)[O-]	REAL300000522433	0	33	-2.0	-112.73	310.25	5.52	-107.21
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)=NS1	REAL300000522434	0	27	-2.0	-103.22	296.96	5.08	-98.14
COC1=CC=C(S(=O)(=O)[N-]C2=NSC(C)=C2)C=C1CC(=O)[O-]	REAL300000522435	0	34	-2.0	-113.10	326.48	4.46	-108.64
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=NS1	REAL300000522436	0	30	-2.0	-100.48	306.56	5.59	-94.89
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=NS1	REAL300000522437	0	30	-2.0	-94.60	306.13	5.15	-89.45
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=NS1	REAL300000522438	0	30	-2.0	-108.32	307.24	5.30	-103.02
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=NS1	REAL300000522439	0	27	-2.0	-103.61	297.31	4.95	-98.66
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Br)=NS1	REAL300000522440	0	30	-2.0	-108.21	310.59	5.61	-102.60
CCN1C=C(S(=O)(=O)[N-]C2=NSC(C)=C2)C=C1C(=O)[O-]	REAL300000522441	0	31	-2.0	-110.34	304.05	4.55	-105.79
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=NS1	REAL300000522442	0	39	-2.0	-110.75	341.17	7.21	-103.54
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)=NS1	REAL300000522443	0	27	-2.0	-98.60	298.13	5.09	-93.51
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=NS1	REAL300000522444	0	27	-2.0	-98.70	301.62	4.89	-93.81
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=NS1	REAL300000522445	0	31	-2.0	-97.11	320.72	4.63	-92.48
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=NS1	REAL300000522446	0	30	-2.0	-104.04	305.88	5.30	-98.74
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=NS1	REAL300000522447	0	36	-2.0	-108.53	325.46	6.45	-102.08
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NSC(C)=C2)C=C1C(=O)[O-]	REAL300000522448	0	31	-2.0	-112.52	316.34	4.97	-107.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NS1	REAL300000522449	0	30	-2.0	-98.19	292.02	4.88	-93.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=NS1	REAL300000522450	0	32	-2.0	-103.22	319.28	6.55	-96.67
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NS1	REAL300000522451	0	30	-2.0	-110.05	295.56	5.18	-104.87
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=NS1	REAL300000522452	0	29	-2.0	-117.57	299.76	6.20	-111.37
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NS1	REAL300000522453	0	27	-2.0	-114.46	279.68	4.37	-110.09
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NS1	REAL300000522454	0	30	-2.0	-102.32	297.18	4.91	-97.41
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=NS1	REAL300000522455	0	33	-2.0	-119.04	317.06	6.45	-112.59
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NSC(C)=C1	REAL300000522456	0	31	-2.0	-102.48	304.22	4.14	-98.34
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NS1	REAL300000522457	0	24	-2.0	-98.30	276.16	3.32	-94.98
CC1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=NS1	REAL300000522458	0	31	-2.0	-105.92	319.79	4.88	-101.04
CC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=NS1	REAL300000522459	0	30	-2.0	-101.40	319.36	1.37	-100.03
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=NS1	REAL300000522460	0	34	-2.0	-105.23	322.14	6.22	-99.01
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=NS1	REAL300000522461	0	34	-2.0	-107.99	321.46	6.22	-101.77
CCC1=C(S(=O)(=O)[N-]C2=NSC(C)=C2)C=C(C(=O)[O-])O1	REAL300000522462	0	30	-2.0	-104.88	298.14	4.34	-100.54
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C(N)=O	REAL300000522463	0	39	-2.0	-93.31	365.83	-2.03	-95.34
CN1N=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000522464	0	32	-2.0	-106.74	313.91	-0.58	-107.32
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)N(C)N=C1	REAL300000522465	0	40	-2.0	-108.27	368.99	0.50	-107.77
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C(N)=O	REAL300000522466	0	32	-2.0	-99.09	309.36	-0.61	-99.70
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C(N)=O	REAL300000522467	0	32	-2.0	-113.28	309.36	-0.62	-113.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)N(C)N=C1	REAL300000522468	0	36	-2.0	-114.14	337.51	-0.79	-114.93
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1C(N)=O	REAL300000522469	0	36	-2.0	-99.18	340.82	0.68	-98.50
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C1C(=O)[O-]	REAL300000522470	0	35	-2.0	-110.43	325.78	-0.06	-110.49
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1C(N)=O	REAL300000522471	0	32	-2.0	-105.05	322.45	-0.04	-105.09
CN1N=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000522472	0	32	-2.0	-105.14	321.88	-0.22	-105.36
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1C(N)=O	REAL300000522473	0	32	-2.0	-100.82	334.94	0.33	-100.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)=C1C	REAL300000522474	0	38	-2.0	-111.40	342.04	0.74	-110.66
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1C(N)=O	REAL300000522475	0	32	-2.0	-106.72	314.84	-0.55	-107.27
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1C(N)=O	REAL300000522476	0	38	-2.0	-98.00	352.95	0.98	-97.02
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C(N)=O	REAL300000522477	0	29	-2.0	-104.16	302.56	-1.59	-105.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)N(C)N=C1	REAL300000522478	0	35	-2.0	-109.39	324.80	0.16	-109.23
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1C(N)=O	REAL300000522479	0	36	-2.0	-97.56	340.44	-0.33	-97.89
CN1C=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C1C(=O)[O-]	REAL300000522480	0	33	-2.0	-111.38	316.01	-1.26	-112.64
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)N(C)N=C1	REAL300000522481	0	36	-2.0	-110.15	333.15	-1.76	-111.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)=C1	REAL300000522482	0	32	-2.0	-102.57	318.48	-0.93	-103.50
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C1C(=O)[O-]	REAL300000522483	0	38	-2.0	-111.04	340.88	0.70	-110.34
CN1N=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C(N)=O	REAL300000522484	0	29	-2.0	-105.53	301.01	-1.57	-107.10
COC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)=CC(C(=O)[O-])=C1OC	REAL300000522485	0	40	-2.0	-113.71	367.70	-0.80	-114.51
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C1C(=O)[O-]	REAL300000522486	0	36	-2.0	-119.31	336.65	-0.55	-119.86
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1C(N)=O	REAL300000522487	0	42	-2.0	-117.85	364.60	2.01	-115.84
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)N(C)N=C1	REAL300000522488	0	41	-2.0	-111.38	363.27	1.41	-109.97
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)N(C)N=C1	REAL300000522489	0	38	-2.0	-112.57	339.52	1.11	-111.46
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)N(C)N=C1	REAL300000522490	0	39	-2.0	-114.74	359.80	-0.05	-114.79
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1C(N)=O	REAL300000522491	0	34	-3.0	-185.36	337.77	-0.05	-185.41
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1C(N)=O	REAL300000522492	0	39	-2.0	-118.10	352.22	1.32	-116.78
CC1=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C(C(=O)[O-])O1	REAL300000522493	0	32	-2.0	-103.40	312.38	-1.47	-104.87
CN1N=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000522494	0	38	-2.0	-114.26	351.54	-0.84	-115.10
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)=C1	REAL300000522495	0	36	-2.0	-114.38	338.29	-1.51	-115.89
CN1N=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1C(N)=O	REAL300000522496	0	40	-2.0	-100.11	363.00	-0.00	-100.11
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000522497	0	32	-2.0	-102.78	337.05	0.24	-102.54
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1C(N)=O	REAL300000522498	0	32	-2.0	-101.92	326.96	-0.03	-101.95
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1C(N)=O	REAL300000522499	0	36	-2.0	-95.95	356.47	0.21	-95.74
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)=CC=C1OCC(=O)[O-]	REAL300000522500	0	39	-2.0	-97.97	360.52	0.38	-97.59
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)N(C)N=C1	REAL300000522501	0	35	-2.0	-100.74	330.08	0.19	-100.55
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)=CC=C1OCCCC(=O)[O-]	REAL300000522502	0	45	-2.0	-98.14	402.97	1.31	-96.83
CN1N=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1C(N)=O	REAL300000522503	0	36	-2.0	-96.88	346.67	-0.27	-97.15
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C1C(=O)[O-]	REAL300000522504	0	39	-2.0	-115.59	358.51	0.36	-115.23
CC1=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C(C(=O)[O-])S1	REAL300000522505	0	32	-2.0	-106.23	319.06	-0.73	-106.96
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1C(N)=O	REAL300000522506	0	32	-2.0	-99.29	337.59	0.40	-98.89
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1C(N)=O	REAL300000522507	0	32	-2.0	-96.91	322.42	-0.05	-96.96
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1C(N)=O	REAL300000522508	0	32	-2.0	-98.46	313.90	-0.57	-99.03
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C(N)=O	REAL300000522509	0	29	-2.0	-101.42	301.63	-1.49	-102.91
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1C(N)=O	REAL300000522510	0	32	-2.0	-100.70	315.78	-0.55	-101.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)=C1F	REAL300000522511	0	35	-2.0	-108.11	335.13	0.09	-108.02
COC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000522512	0	36	-2.0	-101.62	349.68	0.01	-101.61
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1C(N)=O	REAL300000522513	0	32	-2.0	-98.93	314.83	-0.54	-99.47
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1C(N)=O	REAL300000522514	0	32	-2.0	-96.65	321.87	-0.21	-96.86
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)N(C)N=C1	REAL300000522515	0	35	-2.0	-102.21	338.82	0.58	-101.63
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1C(N)=O	REAL300000522516	0	40	-2.0	-95.93	373.10	0.80	-95.13
CN1N=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000522517	0	32	-2.0	-102.29	320.19	-0.52	-102.81
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1C(N)=O	REAL300000522518	0	34	-2.0	-98.06	337.56	0.06	-98.00
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1C(N)=O	REAL300000522519	0	32	-3.0	-205.22	315.52	-2.01	-207.23
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1C(N)=O	REAL300000522519	1	33	-2.0	-108.40	319.08	-2.88	-111.28
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C(N)=O	REAL300000522520	0	35	-2.0	-102.43	331.55	0.17	-102.26
CN1N=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000522521	0	32	-2.0	-103.73	330.08	-0.08	-103.81
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C(N)=O)N(C)N=C1	REAL300000522522	0	35	-2.0	-110.21	319.76	0.03	-110.18
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000522523	0	35	-2.0	-112.37	334.20	0.04	-112.33
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(N)=O)N(C)N=C1	REAL300000522524	0	35	-2.0	-98.76	324.78	0.15	-98.61
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000522525	0	38	-2.0	-112.41	342.25	0.45	-111.96
CN1N=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000522526	0	34	-2.0	-107.12	335.93	0.48	-106.64
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C(N)=O	REAL300000522527	0	32	-2.0	-99.14	321.13	-0.49	-99.63
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C(C)=C1C(=O)[O-]	REAL300000522528	0	38	-2.0	-113.57	342.91	0.80	-112.77
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C1C(=O)[O-]	REAL300000522529	0	35	-2.0	-109.16	334.98	0.12	-109.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)=C1Cl	REAL300000522530	0	35	-2.0	-106.65	341.13	0.52	-106.13
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)=C1	REAL300000522531	0	35	-2.0	-118.40	334.41	0.08	-118.32
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C1C(=O)[O-]	REAL300000522532	0	38	-2.0	-111.86	343.52	0.57	-111.29
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C1CC(=O)[O-]	REAL300000522533	0	39	-2.0	-115.78	359.84	-0.48	-116.26
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C(N)=O)N(C)N=C1	REAL300000522534	0	35	-2.0	-103.05	336.01	0.58	-102.47
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1C(N)=O	REAL300000522535	0	35	-2.0	-95.58	339.49	0.19	-95.39
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000522536	0	35	-2.0	-111.06	340.60	0.34	-110.72
CCN1C=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C1C(=O)[O-]	REAL300000522537	0	36	-2.0	-112.66	337.39	-0.39	-113.05
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C(C)=C1CC(=O)[O-]	REAL300000522538	0	44	-2.0	-114.69	374.86	2.28	-112.41
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1C(N)=O	REAL300000522539	0	32	-2.0	-97.85	334.98	-0.06	-97.91
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C1C(=O)[O-]	REAL300000522540	0	35	-2.0	-107.70	343.14	0.46	-107.24
CN1N=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1C(N)=O	REAL300000522541	0	41	-2.0	-111.18	359.41	1.50	-109.68
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C1C(=O)[O-]	REAL300000522542	0	36	-2.0	-110.47	349.69	0.02	-110.45
CC1=CC(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000522543	0	35	-2.0	-99.99	325.43	-0.07	-100.06
CN1N=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1C(N)=O	REAL300000522544	0	37	-2.0	-104.05	350.42	1.58	-102.47
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(N)=O)N(C)N=C1	REAL300000522545	0	35	-2.0	-107.27	328.91	0.23	-107.04
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1C(N)=O	REAL300000522546	0	34	-2.0	-121.41	333.12	1.25	-120.16
CN1N=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1C(N)=O	REAL300000522547	0	32	-2.0	-117.74	313.03	-0.58	-118.32
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C1C(=O)[O-]	REAL300000522548	0	35	-2.0	-105.45	334.38	0.06	-105.39
CN1N=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C(N)=O	REAL300000522549	0	38	-2.0	-116.21	350.40	1.51	-114.70
CN1N=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C(N)=O	REAL300000522550	0	31	-2.0	-108.40	306.35	-2.56	-110.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(N)=O)N(C)N=C1	REAL300000522551	0	36	-2.0	-102.82	337.57	-0.79	-103.61
CN1N=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1C(N)=O	REAL300000522552	0	29	-2.0	-98.42	309.47	-1.64	-100.06
CN1N=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C(N)=O	REAL300000522553	0	39	-2.0	-104.37	355.50	1.27	-103.10
CN1N=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C(N)=O	REAL300000522554	0	39	-2.0	-107.14	353.45	1.26	-105.88
CCC1=C(S(=O)(=O)[N-]C2=C(C(N)=O)N(C)N=C2)C=C(C(=O)[O-])O1	REAL300000522555	0	35	-2.0	-102.96	331.50	-0.64	-103.60
CC1=CC=CC=C1N(CC1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000522570	0	45	-2.0	-112.48	378.58	9.65	-102.83
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000522603	0	44	-2.0	-114.09	373.01	9.46	-104.63
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000522623	0	42	-2.0	-113.23	355.04	7.69	-105.54
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000522654	1	41	-2.0	-114.34	371.56	7.31	-107.03
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000522655	1	38	-2.0	-115.62	356.13	6.54	-109.08
CSC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1C(=O)[O-]	REAL300000522658	0	32	-2.0	-119.78	309.85	6.15	-113.63
CSC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522659	0	35	-2.0	-96.21	341.35	5.47	-90.74
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1C(=O)[O-]	REAL300000522660	0	31	-2.0	-103.04	313.20	4.52	-98.52
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000522661	1	33	-2.0	-108.97	322.17	6.28	-102.69
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C=C1C(=O)[O-]	REAL300000522662	1	33	-2.0	-104.80	322.16	6.28	-98.52
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1C(=O)[O-]	REAL300000522663	0	32	-2.0	-109.24	323.57	6.47	-102.77
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=C1C(=O)[O-]	REAL300000522664	0	33	-2.0	-120.54	319.44	6.15	-114.39
CSC1=CC=C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522665	0	35	-2.0	-102.28	340.88	6.35	-95.93
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1C(=O)[O-]	REAL300000522667	1	41	-2.0	-110.08	364.16	5.83	-104.25
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522668	1	37	-2.0	-110.37	348.23	7.19	-103.18
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)NN=C2C)C=C1C(=O)[O-]	REAL300000522669	0	35	-2.0	-107.62	317.55	3.72	-103.90
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000522670	1	35	-2.0	-104.40	340.07	6.89	-97.51
CSC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000522672	0	35	-2.0	-106.54	332.26	6.46	-100.08
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000522673	0	40	-2.0	-120.26	359.08	4.96	-115.30
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1OC	REAL300000522674	1	40	-2.0	-110.87	360.07	5.09	-105.78
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)ON=C2C)C=C1C(=O)[O-]	REAL300000522676	0	34	-2.0	-102.89	314.53	4.85	-98.04
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000522677	1	32	-2.0	-103.52	333.28	6.85	-96.67
CSC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522678	0	35	-2.0	-109.17	332.28	6.45	-102.72
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522678	1	34	-3.0	-182.22	329.81	6.44	-175.78
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000522679	1	32	-2.0	-102.58	314.06	6.01	-96.57
CSC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000522680	0	32	-2.0	-108.52	331.20	6.97	-101.55
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000522681	1	35	-2.0	-108.61	340.08	6.89	-101.72
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2)C=C1C(=O)[O-]	REAL300000522682	1	35	-2.0	-113.33	322.75	6.55	-106.78
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000522684	0	35	-2.0	-115.81	327.21	7.27	-108.54
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000522685	1	32	-2.0	-108.97	318.07	6.41	-102.56
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000522686	1	37	-2.0	-110.84	341.81	6.28	-104.56
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2C)C=C1C(=O)[O-]	REAL300000522687	1	38	-2.0	-112.85	338.24	7.33	-105.52
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000522689	1	32	-2.0	-102.87	323.95	6.45	-96.42
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)C=C1C(=O)[O-]	REAL300000522690	1	37	-2.0	-121.85	341.83	6.27	-115.58
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522692	0	38	-2.0	-125.57	346.54	7.28	-118.29
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300000522693	1	41	-2.0	-107.04	377.97	7.48	-99.56
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C1C(=O)[O-]	REAL300000522694	0	32	-2.0	-110.87	329.66	6.91	-103.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000522695	1	38	-2.0	-109.82	356.85	6.63	-103.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522699	0	38	-3.0	-185.80	357.95	6.24	-179.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522699	1	39	-2.0	-105.71	358.58	5.78	-99.93
CSC1=CC=C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000522700	0	39	-2.0	-105.70	363.73	7.75	-97.95
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000522700	1	38	-3.0	-167.02	361.26	7.74	-159.28
CSC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300000522701	0	32	-2.0	-113.45	324.96	7.20	-106.25
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1C(=O)[O-]	REAL300000522702	0	29	-2.0	-104.72	310.32	5.51	-99.21
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522704	0	36	-2.0	-119.18	329.58	5.68	-113.50
CSC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522705	0	38	-2.0	-124.32	352.52	6.84	-117.48
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1C(=O)[O-]	REAL300000522706	0	32	-2.0	-107.69	319.40	6.07	-101.62
CSC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000522707	1	32	-2.0	-103.77	334.81	6.92	-96.85
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1C(=O)[O-]	REAL300000522708	0	32	-2.0	-113.59	314.48	6.45	-107.14
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522709	1	34	-2.0	-109.53	329.56	6.56	-102.97
CSC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)C=C1C(=O)[O-]	REAL300000522710	1	37	-2.0	-107.80	345.05	7.33	-100.47
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1C(=O)[O-]	REAL300000522711	0	29	-2.0	-110.37	293.28	4.89	-105.48
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000522713	0	34	-2.0	-125.56	319.89	7.27	-118.29
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000522716	0	32	-2.0	-108.59	313.25	6.02	-102.57
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300000522717	1	32	-2.0	-109.09	307.75	5.95	-103.14
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000522718	1	32	-2.0	-103.12	314.16	6.02	-97.10
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1C(=O)[O-]	REAL300000522720	1	38	-2.0	-112.76	345.83	5.04	-107.72
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)C=C1C(=O)[O-]	REAL300000522722	1	47	-2.0	-113.86	393.04	8.98	-104.88
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1C(=O)[O-]	REAL300000522723	1	32	-2.0	-105.99	318.07	6.41	-99.58
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000522724	0	34	-2.0	-100.90	329.57	6.56	-94.34
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000522725	1	32	-2.0	-112.60	301.34	5.89	-106.71
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000522726	1	39	-2.0	-117.38	357.41	4.79	-112.59
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)S2)C=C1C(=O)[O-]	REAL300000522727	0	32	-2.0	-111.53	315.16	5.68	-105.85
CSC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C(=O)[O-]	REAL300000522728	0	41	-2.0	-106.63	361.72	7.32	-99.31
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1C(=O)[O-]	REAL300000522728	1	40	-3.0	-182.44	362.49	7.79	-174.65
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522729	0	36	-2.0	-112.11	346.33	6.20	-105.91
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)[O-]	REAL300000522730	0	34	-3.0	-177.63	335.28	6.51	-171.12
CSC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=C1C(=O)[O-]	REAL300000522731	0	29	-2.0	-103.62	324.19	6.04	-97.58
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000522733	1	37	-2.0	-108.49	339.62	7.16	-101.33
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1C(=O)[O-]	REAL300000522734	0	32	-2.0	-111.46	313.25	6.02	-105.44
CSC1=CC=C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000522735	0	41	-2.0	-106.51	380.10	7.90	-98.61
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000522735	1	40	-3.0	-165.99	373.37	8.04	-157.95
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300000522736	1	42	-2.0	-117.17	377.99	5.59	-111.58
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C=C1C(=O)[O-]	REAL300000522737	1	36	-2.0	-107.95	337.10	2.70	-105.25
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300000522738	1	36	-2.0	-110.17	341.54	6.91	-103.26
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)C=C1C(=O)[O-]	REAL300000522739	1	37	-2.0	-108.96	343.36	4.35	-104.61
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=C1C(=O)[O-]	REAL300000522740	1	40	-2.0	-109.84	361.15	5.07	-104.77
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(=O)[O-]	REAL300000522742	0	31	-3.0	-175.10	322.99	5.46	-169.64
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C=C1C(=O)[O-]	REAL300000522743	1	35	-2.0	-107.53	333.08	3.39	-104.14
CSC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C(=O)[O-]	REAL300000522745	0	38	-2.0	-106.92	347.24	7.24	-99.68
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C(=O)[O-]	REAL300000522745	1	37	-3.0	-180.21	345.24	7.23	-172.98
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)C=C1C(=O)[O-]	REAL300000522746	0	38	-2.0	-110.99	338.96	4.96	-106.03
CSC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)C=C1C(=O)[O-]	REAL300000522747	1	40	-2.0	-107.50	362.06	7.87	-99.63
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300000522748	1	38	-2.0	-107.34	356.11	6.55	-100.79
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300000522749	1	39	-2.0	-111.55	357.79	4.17	-107.38
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522750	0	41	-2.0	-124.28	373.52	7.56	-116.72
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C=C1C(=O)[O-]	REAL300000522751	1	36	-2.0	-111.43	335.84	2.67	-108.76
CSC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000522753	1	38	-2.0	-115.31	347.29	8.17	-107.14
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=CS1	REAL300000522754	0	35	-2.0	-121.82	340.93	6.18	-115.64
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300000522755	1	42	-2.0	-111.21	377.91	6.40	-104.81
CSC1=CC=C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000522757	0	39	-2.0	-104.07	363.35	6.74	-97.33
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1C(=O)[O-]	REAL300000522760	0	32	-2.0	-117.03	306.82	5.95	-111.08
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C1C(=O)[O-]	REAL300000522761	1	37	-2.0	-108.37	343.73	6.39	-101.98
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522762	0	38	-2.0	-125.17	354.19	4.47	-120.70
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)C=C1C(=O)[O-]	REAL300000522763	0	40	-2.0	-128.73	362.67	7.16	-121.57
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)C=C1C(=O)[O-]	REAL300000522765	0	35	-2.0	-113.35	335.88	7.12	-106.23
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)C=C1C(=O)[O-]	REAL300000522767	1	40	-2.0	-109.18	364.64	6.33	-102.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000522768	0	38	-2.0	-120.22	351.90	6.59	-113.63
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C=C1C(=O)[O-]	REAL300000522769	1	37	-2.0	-106.04	349.03	7.38	-98.66
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)C=C1C(=O)[O-]	REAL300000522770	1	38	-2.0	-108.99	355.46	5.84	-103.15
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000522772	1	42	-2.0	-115.39	371.19	9.76	-105.63
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1C(=O)[O-]	REAL300000522773	0	32	-2.0	-105.70	320.87	6.52	-99.18
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2F)C=C1C(=O)[O-]	REAL300000522774	0	39	-2.0	-124.68	363.18	4.85	-119.83
CSC1=CC=C(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522777	0	36	-2.0	-122.70	343.11	5.67	-117.03
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522777	1	35	-3.0	-179.97	336.45	5.80	-174.17
CSC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)C=C1C(=O)[O-]	REAL300000522778	0	32	-2.0	-118.84	318.81	5.45	-113.39
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000522779	0	37	-2.0	-110.17	343.29	2.04	-108.13
CSC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1C(=O)[O-]	REAL300000522780	0	39	-2.0	-106.92	353.58	4.84	-102.08
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1Cl	REAL300000522782	1	36	-2.0	-108.65	346.86	5.74	-102.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1F	REAL300000522783	1	36	-2.0	-108.49	337.05	5.26	-103.23
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000522786	1	39	-2.0	-107.14	351.93	3.34	-103.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1C(N)=O	REAL300000522787	1	40	-2.0	-109.04	363.15	3.26	-105.78
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300000522788	0	32	-2.0	-109.31	305.89	3.59	-105.72
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000522789	1	37	-2.0	-100.40	345.05	7.33	-93.07
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=CN1C	REAL300000522791	0	40	-2.0	-110.69	365.23	3.53	-107.16
CSC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)C=C1C(=O)[O-]	REAL300000522792	1	35	-2.0	-108.29	333.56	7.18	-101.11
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1C(=O)[O-]	REAL300000522796	0	34	-3.0	-170.72	338.92	6.13	-164.59
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000522797	1	33	-2.0	-101.85	337.55	6.69	-95.16
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000522798	1	33	-2.0	-102.56	337.60	6.69	-95.87
CSC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1C(=O)[O-]	REAL300000522799	0	41	-2.0	-106.25	363.85	7.75	-98.50
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000522800	1	36	-2.0	-116.87	339.70	6.26	-110.61
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000522801	1	35	-2.0	-109.66	336.81	7.00	-102.66
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000522802	0	32	-2.0	-114.10	323.02	6.45	-107.65
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522804	0	38	-2.0	-106.55	357.81	6.35	-100.20
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)C=C1C(=O)[O-]	REAL300000522805	1	35	-2.0	-109.51	328.06	6.60	-102.91
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000522806	1	35	-2.0	-105.54	333.55	7.16	-98.38
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C=C1C(=O)[O-]	REAL300000522807	0	35	-2.0	-117.24	328.26	6.61	-110.63
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C)C=C1C(=O)[O-]	REAL300000522808	1	35	-2.0	-108.34	323.23	6.73	-101.61
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000522810	0	37	-2.0	-126.96	334.93	8.14	-118.82
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C=C1C(=O)[O-]	REAL300000522811	1	42	-2.0	-125.70	370.62	5.57	-120.13
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000522812	0	40	-2.0	-128.92	362.61	7.17	-121.75
CSC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522813	0	31	-3.0	-177.07	321.46	5.49	-171.58
CSC1=CC=C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522813	1	32	-2.0	-107.83	323.93	5.48	-102.35
COC1=CC=C(S(=O)(=O)NC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522814	0	39	-2.0	-120.38	363.82	6.38	-114.00
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)C=C1C(=O)[O-]	REAL300000522815	1	40	-2.0	-113.41	351.31	7.25	-106.16
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000522817	0	34	-2.0	-117.54	328.82	7.37	-110.17
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300000522818	1	42	-2.0	-112.87	375.52	9.30	-103.57
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000522819	0	34	-2.0	-121.15	334.76	7.27	-113.88
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522820	0	41	-2.0	-122.18	382.29	4.35	-117.83
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2O)C=C1C(=O)[O-]	REAL300000522823	0	36	-2.0	-113.63	332.53	4.24	-109.39
CSC1=CC=C(NS(=O)(=O)C2=CC(C)=CC=C2[O-])C=C1C(=O)[O-]	REAL300000522823	1	36	-2.0	-103.33	321.56	5.13	-98.20
CSC1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1C(=O)[O-]	REAL300000522824	0	29	-2.0	-106.59	282.92	2.28	-104.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522825	0	41	-2.0	-105.46	362.18	7.65	-97.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522825	1	40	-3.0	-178.45	359.96	8.17	-170.28
CSC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C1C(=O)[O-]	REAL300000522826	0	35	-2.0	-116.06	340.87	6.79	-109.27
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)S1	REAL300000522827	0	35	-2.0	-105.43	349.23	5.65	-99.78
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000522828	0	40	-2.0	-124.35	360.85	8.50	-115.85
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C=C1C(=O)[O-]	REAL300000522829	1	36	-2.0	-104.82	339.14	6.26	-98.56
CSC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000522830	0	32	-2.0	-109.56	316.25	6.23	-103.33
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522831	0	34	-3.0	-172.08	332.82	5.58	-166.50
CSC1=CC=C(NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522831	1	35	-2.0	-105.66	319.46	4.82	-100.84
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1C(=O)[O-]	REAL300000522832	0	35	-2.0	-132.20	329.54	5.08	-127.12
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000522833	0	38	-2.0	-116.66	361.61	6.59	-110.07
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522834	0	42	-2.0	-120.97	372.87	7.27	-113.70
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1C(=O)[O-]	REAL300000522835	1	37	-2.0	-122.12	349.62	6.07	-116.05
CSC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000522836	0	34	-2.0	-127.68	327.32	7.51	-120.17
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000522837	0	38	-3.0	-185.01	358.79	5.53	-179.48
CSC1=CC=C(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000522837	1	39	-2.0	-116.53	361.56	5.49	-111.04
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300000522838	0	39	-2.0	-110.90	361.91	7.00	-103.90
CSC1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1C(=O)[O-]	REAL300000522839	0	31	-2.0	-103.28	302.77	4.16	-99.12
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000522840	0	35	-2.0	-110.73	349.39	5.54	-105.19
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522841	1	40	-2.0	-106.36	359.79	8.27	-98.09
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)C=C1C(=O)[O-]	REAL300000522842	1	37	-2.0	-113.67	337.50	6.31	-107.36
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C1C(=O)[O-]	REAL300000522843	0	31	-2.0	-104.80	326.49	5.02	-99.78
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C)C=N2)C=C1C(=O)[O-]	REAL300000522844	0	32	-2.0	-121.99	305.52	4.97	-117.02
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)C=C1C(=O)[O-]	REAL300000522846	1	40	-2.0	-106.98	367.66	5.61	-101.37
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000522847	0	36	-2.0	-102.90	341.10	2.87	-100.03
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=C1C(=O)[O-]	REAL300000522848	0	32	-2.0	-101.56	317.28	4.41	-97.15
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000522850	0	32	-2.0	-115.14	313.13	6.01	-109.13
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C(F)=C1	REAL300000522851	0	36	-2.0	-114.93	339.32	5.46	-109.47
CSC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C(=O)[O-]	REAL300000522852	0	38	-2.0	-101.85	353.16	7.24	-94.61
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1C(=O)[O-]	REAL300000522852	1	37	-3.0	-170.56	350.52	7.26	-163.30
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300000522853	0	38	-2.0	-118.01	344.47	5.53	-112.48
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C)=N2)C=C1C(=O)[O-]	REAL300000522854	0	35	-2.0	-121.27	324.88	4.78	-116.49
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300000522855	0	36	-2.0	-114.59	339.36	5.94	-108.65
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000522856	1	41	-2.0	-115.25	378.00	7.47	-107.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=N1	REAL300000522857	0	35	-2.0	-109.62	327.43	4.44	-105.18
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000522858	1	39	-2.0	-113.94	356.41	5.61	-108.33
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522859	0	38	-2.0	-119.48	352.97	7.35	-112.13
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1C(=O)[O-]	REAL300000522860	1	37	-2.0	-110.99	337.31	5.19	-105.80
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000522861	0	32	-2.0	-108.41	320.87	6.52	-101.89
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000522864	1	36	-2.0	-105.74	345.64	2.74	-103.00
CSC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C)C=C1C(=O)[O-]	REAL300000522865	0	32	-2.0	-107.39	301.76	2.93	-104.46
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000522866	1	36	-2.0	-114.29	330.85	5.19	-109.10
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C)C=C1C(=O)[O-]	REAL300000522867	1	35	-2.0	-112.46	316.41	6.67	-105.79
CSC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2)C=C1C(=O)[O-]	REAL300000522868	0	32	-2.0	-117.71	306.19	3.42	-114.29
CSC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C)C=C1C(=O)[O-]	REAL300000522869	0	32	-2.0	-104.41	301.58	3.51	-100.90
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2F)C=C1C(=O)[O-]	REAL300000522875	0	35	-2.0	-116.66	328.25	6.62	-110.04
CSC1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1C(=O)[O-]	REAL300000522877	0	29	-2.0	-117.92	282.65	3.27	-114.65
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)O1	REAL300000522878	0	35	-2.0	-106.12	340.89	4.67	-101.45
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000522879	0	37	-2.0	-128.73	341.25	6.52	-122.21
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000522880	0	32	-2.0	-103.54	319.54	6.07	-97.47
CSC1=CC=C(NS(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522881	0	35	-2.0	-106.46	341.35	6.32	-100.14
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522881	1	34	-3.0	-176.14	338.40	6.34	-169.80
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1C	REAL300000522882	1	41	-2.0	-114.73	366.20	7.18	-107.55
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000522883	0	36	-2.0	-113.86	343.95	5.75	-108.11
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000522884	0	34	-2.0	-103.78	331.99	5.10	-98.68
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522885	0	38	-2.0	-121.42	360.43	3.42	-118.00
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300000522887	1	41	-2.0	-116.96	378.30	7.33	-109.63
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000522889	0	44	-2.0	-111.71	380.54	6.50	-105.21
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CS2)C=C1C(=O)[O-]	REAL300000522890	0	32	-2.0	-113.15	312.10	5.52	-107.63
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1C	REAL300000522891	0	41	-2.0	-111.09	360.77	5.83	-105.26
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1C	REAL300000522892	1	41	-2.0	-107.70	372.14	7.08	-100.62
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C=C1C(=O)[O-]	REAL300000522893	0	37	-2.0	-101.51	345.55	7.07	-94.44
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000522896	1	40	-2.0	-123.72	360.92	4.34	-119.38
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)C=C1C(=O)[O-]	REAL300000522897	1	36	-2.0	-107.83	337.60	7.05	-100.78
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(NC(C)=O)=C2)C=C1C(=O)[O-]	REAL300000522898	1	39	-2.0	-120.29	362.55	4.89	-115.40
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C=C1C(=O)[O-]	REAL300000522899	1	44	-2.0	-110.78	353.50	8.58	-102.20
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(NC(C)=O)=C2)C=C1C(=O)[O-]	REAL300000522900	1	42	-2.0	-130.91	376.26	5.67	-125.24
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522901	0	36	-2.0	-113.94	338.98	6.35	-107.59
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)C=C1C(=O)[O-]	REAL300000522902	1	36	-2.0	-104.40	337.59	7.05	-97.35
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)C=C1C(=O)[O-]	REAL300000522905	0	33	-2.0	-108.16	327.64	6.34	-101.82
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)C=C1C(=O)[O-]	REAL300000522906	1	37	-2.0	-110.18	344.99	3.55	-106.63
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000522907	0	38	-2.0	-109.58	346.12	4.97	-104.61
CSC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000522908	1	37	-2.0	-113.02	342.32	6.27	-106.75
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=N1	REAL300000522909	0	38	-2.0	-114.39	360.70	4.64	-109.75
CSC1=CC=C([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)C=C1C(=O)[O-]	REAL300000522910	0	38	-2.0	-120.78	345.31	4.32	-116.46
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000522911	0	35	-2.0	-114.55	343.18	7.69	-106.86
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300000522915	1	32	-2.0	-97.55	320.34	6.07	-91.48
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000522916	1	43	-2.0	-109.68	383.79	7.72	-101.96
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=CN1C	REAL300000522918	0	39	-2.0	-114.97	362.51	5.98	-108.99
CSC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000522920	0	35	-2.0	-103.74	340.80	6.35	-97.39
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000522920	1	34	-3.0	-166.70	334.33	6.48	-160.22
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(N(C)C(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000522921	1	42	-2.0	-120.51	368.96	6.12	-114.39
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(=O)[O-]	REAL300000522923	0	31	-3.0	-169.31	322.07	5.57	-163.74
CSC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)C=C1C(=O)[O-]	REAL300000522924	0	41	-2.0	-119.01	365.89	6.86	-112.15
CSC1=CC=C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522925	0	35	-2.0	-103.56	338.69	6.52	-97.04
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522925	1	34	-3.0	-172.34	336.21	6.51	-165.83
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1C(=O)[O-]	REAL300000522926	0	37	-3.0	-179.16	355.57	7.15	-172.01
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=CN1	REAL300000522927	0	36	-2.0	-112.44	344.74	4.22	-108.22
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000522928	0	34	-3.0	-167.93	335.27	6.52	-161.41
CSC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)[O-]	REAL300000522928	1	35	-2.0	-104.13	328.43	6.08	-98.05
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2C)C=C1C(=O)[O-]	REAL300000522929	1	35	-2.0	-108.66	322.15	6.69	-101.97
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=CC=C1C	REAL300000522930	1	41	-2.0	-109.61	372.16	7.07	-102.54
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=CS1	REAL300000522931	0	35	-2.0	-111.11	348.61	5.56	-105.55
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=CC=C1F	REAL300000522932	1	38	-2.0	-104.86	360.69	6.56	-98.30
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)N=C(C)S2)C=C1C(=O)[O-]	REAL300000522933	0	34	-2.0	-109.02	327.86	4.37	-104.65
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)C=C1C(=O)[O-]	REAL300000522934	1	36	-2.0	-116.66	343.59	7.06	-109.60
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000522935	1	40	-2.0	-100.93	359.70	8.22	-92.71
CSC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C(NC(C)=O)=C2)C=C1C(=O)[O-]	REAL300000522936	1	40	-2.0	-109.47	370.56	2.67	-106.80
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000522937	1	38	-2.0	-113.45	344.23	7.32	-106.13
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000522938	1	35	-2.0	-109.19	329.16	6.62	-102.57
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000522940	0	38	-2.0	-107.17	359.23	5.34	-101.83
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=C1C(=O)[O-]	REAL300000522941	1	38	-2.0	-108.34	352.72	4.94	-103.40
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000522943	0	35	-2.0	-108.73	333.56	6.65	-102.08
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000522944	1	38	-2.0	-120.83	342.39	8.20	-112.63
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1C(=O)[O-]	REAL300000522945	0	34	-2.0	-109.84	333.33	5.36	-104.48
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C(=O)[O-]	REAL300000522946	0	35	-3.0	-178.01	339.52	4.16	-173.85
CSC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C(=O)[O-]	REAL300000522946	1	35	-3.0	-179.54	338.72	4.96	-174.58
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1C(=O)[O-]	REAL300000522947	1	42	-2.0	-116.09	356.66	8.51	-107.58
CSC1=CC=C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000522948	0	38	-2.0	-106.28	358.70	7.10	-99.18
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300000522948	1	37	-3.0	-170.26	351.97	7.23	-163.03
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)O1	REAL300000522949	0	38	-2.0	-106.26	362.75	5.60	-100.66
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522950	0	34	-2.0	-101.56	335.97	6.63	-94.93
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)=O)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000522951	0	37	-2.0	-121.08	357.17	6.94	-114.14
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C=C1C(=O)[O-]	REAL300000522952	0	35	-2.0	-121.77	344.07	6.57	-115.20
COC1=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)SC=C1	REAL300000522954	0	33	-2.0	-119.28	323.51	4.16	-115.12
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)C=C1C(=O)[O-]	REAL300000522955	0	38	-2.0	-110.20	355.10	7.17	-103.03
CSC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300000522956	0	35	-2.0	-114.29	331.10	6.28	-108.01
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)C=C1C(=O)[O-]	REAL300000522957	0	40	-2.0	-130.68	362.86	7.12	-123.56
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522958	0	34	-2.0	-117.27	334.59	4.63	-112.64
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)N2C)C=C1C(=O)[O-]	REAL300000522960	0	32	-2.0	-102.42	317.38	4.80	-97.62
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)C=C1C(=O)[O-]	REAL300000522961	0	32	-2.0	-117.93	321.69	4.70	-113.23
COC1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=CC(OC)=C1	REAL300000522962	1	40	-2.0	-115.20	360.33	4.49	-110.71
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1C(=O)[O-]	REAL300000522963	0	33	-2.0	-117.70	317.18	4.62	-113.08
CSC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])C=CC(C)=C2C)C=C1C(=O)[O-]	REAL300000522964	0	40	-2.0	-126.77	352.42	8.68	-118.09
CSC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)C=C1C(=O)[O-]	REAL300000522965	0	33	-2.0	-102.93	323.56	3.72	-99.21
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C(C)S2)C=C1C(=O)[O-]	REAL300000522966	0	31	-2.0	-108.25	309.88	3.71	-104.54
CSC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000522967	0	38	-2.0	-99.20	339.15	6.66	-92.54
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000522967	1	37	-3.0	-181.22	339.87	7.08	-174.14
CSC1=CC=C(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522969	0	38	-2.0	-111.35	357.11	7.10	-104.25
CSC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000522970	0	38	-2.0	-97.00	344.82	6.80	-90.20
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000522971	0	38	-2.0	-120.97	360.24	6.98	-113.99
CSC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C=C1C(=O)[O-]	REAL300000522972	0	33	-2.0	-108.95	330.63	6.57	-102.38
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)C=C1C(=O)[O-]	REAL300000522973	0	35	-2.0	-111.29	333.53	6.66	-104.63
COC1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000522974	0	38	-2.0	-101.54	356.87	6.62	-94.92
CSC1=CC=C(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522975	0	41	-2.0	-111.77	365.17	7.51	-104.26
CSC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=C1C(=O)[O-]	REAL300000522976	0	35	-2.0	-109.03	346.67	7.37	-101.66
CSC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C1C(=O)[O-]	REAL300000522979	0	31	-2.0	-109.55	320.30	5.33	-104.22
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)C=C1C(=O)[O-]	REAL300000522980	0	38	-2.0	-119.11	346.79	6.27	-112.84
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=N1	REAL300000522981	0	37	-2.0	-103.81	352.08	4.71	-99.10
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000522982	0	31	-2.0	-101.45	326.77	5.06	-96.39
CSC1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000522983	0	41	-2.0	-103.33	363.29	7.41	-95.92
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C(=O)[O-]	REAL300000522984	0	37	-3.0	-179.11	351.28	7.04	-172.07
CSC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1C(=O)[O-]	REAL300000522984	1	38	-2.0	-100.09	353.84	7.01	-93.08
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000522985	0	37	-3.0	-190.86	354.82	7.14	-183.72
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000522986	1	40	-2.0	-122.17	364.42	7.15	-115.02
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=N1	REAL300000522987	0	39	-2.0	-107.73	361.10	3.49	-104.24
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300000522988	0	37	-2.0	-118.44	351.66	6.71	-111.73
CCC1=CC=C(S(=O)(=O)NC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000522989	0	41	-2.0	-102.44	370.42	7.50	-94.94
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000522990	0	43	-2.0	-109.41	378.52	4.43	-104.98
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)C=C1C(=O)[O-]	REAL300000522993	0	36	-2.0	-121.53	338.59	6.68	-114.85
CSC1=CC=C(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)C=C1C(=O)[O-]	REAL300000522994	0	38	-2.0	-92.87	349.88	5.94	-86.93
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C=C1C(=O)[O-]	REAL300000522995	0	41	-2.0	-111.91	374.34	7.53	-104.38
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000522996	0	38	-2.0	-118.94	348.67	6.64	-112.30
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1C(=O)[O-]	REAL300000522997	0	40	-2.0	-107.85	359.40	3.64	-104.21
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2F)C=C1C(=O)[O-]	REAL300000522998	0	35	-2.0	-118.12	327.14	6.60	-111.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=N1	REAL300000522999	1	38	-2.0	-105.63	350.39	3.50	-102.13
CSC1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1C(=O)[O-]	REAL300000523000	0	39	-2.0	-121.96	347.13	5.92	-116.04
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300000523001	1	39	-2.0	-111.79	356.41	5.62	-106.17
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523002	0	37	-2.0	-113.96	340.61	2.87	-111.09
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)C=C1C(=O)[O-]	REAL300000523003	0	35	-2.0	-114.55	333.23	7.03	-107.52
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C)=C2)C=C1C(=O)[O-]	REAL300000523005	0	35	-2.0	-109.55	324.33	5.46	-104.09
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C=C1C(=O)[O-]	REAL300000523006	0	38	-2.0	-118.09	347.61	3.55	-114.54
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523008	1	39	-2.0	-111.19	347.94	5.91	-105.28
CCC1=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C(C(=O)OC)O1	REAL300000523009	0	41	-2.0	-105.23	378.34	6.29	-98.94
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)O2)C=C1C(=O)[O-]	REAL300000523011	0	32	-2.0	-111.52	305.94	4.70	-106.82
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)S2)C=C1C(=O)[O-]	REAL300000523012	0	35	-2.0	-112.53	335.00	6.30	-106.23
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000523013	1	35	-2.0	-109.14	327.39	4.55	-104.59
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000523014	0	40	-2.0	-128.73	354.98	7.64	-121.09
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1C(=O)[O-]	REAL300000523015	0	38	-2.0	-120.14	350.63	7.89	-112.25
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523016	0	38	-2.0	-116.32	352.98	7.34	-108.98
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1C(=O)[O-]	REAL300000523017	0	34	-2.0	-99.15	334.09	6.57	-92.58
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000523018	1	32	-2.0	-103.50	324.48	6.47	-97.03
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C(C)O1	REAL300000523019	0	38	-2.0	-105.55	359.18	5.44	-100.11
CSC1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300000523020	0	31	-2.0	-103.43	313.11	4.58	-98.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)N=C1C	REAL300000523021	0	38	-2.0	-121.10	346.89	5.68	-115.42
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000523022	0	35	-2.0	-113.93	335.89	7.12	-106.81
CCN1C=C(S(=O)(=O)NC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000523023	0	39	-2.0	-110.54	360.31	6.65	-103.89
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000523023	1	38	-3.0	-181.50	357.83	6.66	-174.84
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523024	0	35	-2.0	-110.26	341.23	4.63	-105.63
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523025	0	44	-2.0	-112.69	377.49	6.46	-106.23
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=CN1C	REAL300000523026	0	42	-2.0	-114.59	384.37	6.91	-107.68
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000523027	1	40	-2.0	-107.51	363.37	7.94	-99.57
CSC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300000523028	0	32	-2.0	-116.67	317.40	6.67	-110.00
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)C=C1C(=O)[O-]	REAL300000523029	0	34	-2.0	-111.67	331.24	5.21	-106.46
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523030	0	37	-2.0	-110.57	350.39	6.07	-104.50
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)S1	REAL300000523031	0	34	-2.0	-107.83	331.36	4.47	-103.36
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(SC)C(C(=O)[O-])=C3)C=C12	REAL300000523032	0	39	-2.0	-102.29	362.58	3.60	-98.69
CSC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)S2)C=C1C(=O)[O-]	REAL300000523033	0	34	-2.0	-106.58	340.64	6.26	-100.32
COC1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300000523035	0	35	-2.0	-101.97	342.19	3.85	-98.12
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000523036	0	34	-2.0	-101.63	336.06	5.13	-96.50
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523037	1	38	-2.0	-108.75	362.53	6.61	-102.14
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000523038	0	47	-2.0	-111.40	394.16	6.90	-104.50
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C=C1C(=O)[O-]	REAL300000523040	0	33	-2.0	-105.23	335.23	6.84	-98.39
CSC1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300000523041	0	35	-2.0	-121.22	329.27	6.20	-115.02
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523042	0	37	-2.0	-108.39	351.32	4.74	-103.65
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=C1C(=O)[O-]	REAL300000523043	0	29	-2.0	-105.79	305.73	4.61	-101.18
CSC1=CC=C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)C=C1C(=O)[O-]	REAL300000523044	1	40	-2.0	-108.88	361.05	7.84	-101.04
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523045	0	42	-2.0	-119.48	364.89	7.64	-111.84
CSC1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000523046	0	32	-2.0	-108.76	322.42	6.29	-102.47
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)C=C1C(=O)[O-]	REAL300000523050	0	32	-2.0	-105.35	330.32	6.11	-99.24
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000523051	1	35	-2.0	-112.49	333.53	6.76	-105.73
CSC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1C(=O)[O-]	REAL300000523052	0	35	-2.0	-107.70	340.42	4.73	-102.97
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2SC)C=C1C(=O)[O-]	REAL300000523053	1	36	-2.0	-118.67	337.43	6.95	-111.72
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)C)C=C1C(=O)[O-]	REAL300000523054	1	41	-2.0	-114.76	355.35	7.89	-106.87
COC1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=CC=C1F	REAL300000523055	1	36	-2.0	-105.16	337.08	5.26	-99.90
CSC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1C(=O)[O-]	REAL300000523056	0	31	-2.0	-119.12	314.04	6.29	-112.83
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1C(=O)[O-]	REAL300000523057	0	29	-2.0	-110.34	284.03	3.88	-106.46
CSC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C)C=C1C(=O)[O-]	REAL300000523058	0	31	-2.0	-99.65	295.81	2.29	-97.36
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C=C1C(=O)[O-]	REAL300000523059	1	37	-2.0	-107.06	345.70	5.02	-102.04
CSC1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000523060	0	31	-2.0	-103.03	322.51	5.66	-97.37
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300000523062	1	40	-2.0	-113.05	368.52	4.10	-108.95
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1C(=O)[O-]	REAL300000523063	0	36	-2.0	-114.10	329.33	5.32	-108.78
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000523064	0	33	-2.0	-108.20	335.27	6.84	-101.36
CSC1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300000523065	0	35	-2.0	-110.24	345.30	4.94	-105.30
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523066	1	38	-2.0	-110.37	331.57	7.60	-102.77
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523067	0	40	-2.0	-125.92	355.32	6.39	-119.53
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2F)C=C1C(=O)[O-]	REAL300000523069	0	35	-2.0	-116.68	320.94	6.85	-109.83
CSC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C=C1C(=O)[O-]	REAL300000523070	0	36	-2.0	-126.14	339.74	5.96	-120.18
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)N(CC3CC3)N=C2C)C=C1C(=O)[O-]	REAL300000523071	0	45	-2.0	-110.95	392.45	7.39	-103.56
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)C=C1C(=O)[O-]	REAL300000523072	0	40	-2.0	-128.67	359.22	7.06	-121.61
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000523074	0	33	-2.0	-119.42	326.12	4.18	-115.24
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523075	0	35	-2.0	-108.93	325.94	3.35	-105.58
CSC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2C)OCO3)C=C1C(=O)[O-]	REAL300000523077	1	38	-2.0	-108.70	342.43	5.34	-103.36
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523079	0	38	-2.0	-109.98	351.72	7.16	-102.82
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)C=C1C(=O)[O-]	REAL300000523080	1	42	-2.0	-110.69	372.41	5.74	-104.95
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523081	0	41	-2.0	-126.46	368.40	8.21	-118.25
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C(NC(C)=O)S2)C=C1C(=O)[O-]	REAL300000523083	0	35	-2.0	-115.54	346.29	3.38	-112.16
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)C=C1C(=O)[O-]	REAL300000523083	1	34	-3.0	-174.86	343.00	2.25	-172.61
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000523084	1	39	-2.0	-111.49	362.25	4.91	-106.58
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CC#N)C=C1C(=O)[O-]	REAL300000523085	1	36	-2.0	-119.48	334.21	7.15	-112.33
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)C=C1C(=O)[O-]	REAL300000523086	1	36	-2.0	-116.35	343.59	7.05	-109.30
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C1C(=O)[O-]	REAL300000523087	0	32	-2.0	-106.33	331.20	6.96	-99.37
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)ON=C2N)C=C1C(=O)[O-]	REAL300000523089	0	33	-2.0	-102.43	307.78	3.28	-99.15
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523090	0	36	-2.0	-114.88	346.33	6.20	-108.68
CSC1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000523091	0	33	-2.0	-107.45	328.84	4.66	-102.79
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523094	1	39	-2.0	-113.59	346.31	5.96	-107.63
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)S2)C=C1C(=O)[O-]	REAL300000523096	0	30	-2.0	-102.91	313.85	5.44	-97.47
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)N=C2)C=C1C(=O)[O-]	REAL300000523097	0	34	-2.0	-109.46	317.95	4.71	-104.75
CSC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1C(=O)[O-]	REAL300000523098	0	37	-2.0	-112.23	342.53	6.26	-105.97
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C(F)=C1	REAL300000523099	0	38	-2.0	-111.18	361.59	6.61	-104.57
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1F	REAL300000523100	0	38	-2.0	-106.23	360.67	6.57	-99.66
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)C=C1C(=O)[O-]	REAL300000523101	1	36	-2.0	-104.58	341.31	6.78	-97.80
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000523102	0	31	-2.0	-98.17	319.08	4.56	-93.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C(F)=C1	REAL300000523104	0	36	-2.0	-114.16	336.33	5.25	-108.91
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000523105	0	40	-2.0	-124.11	362.13	9.07	-115.04
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000523107	1	35	-2.0	-110.37	335.51	6.82	-103.55
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300000523108	1	42	-2.0	-116.89	375.54	9.30	-107.59
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)C=NN2C)C=C1C(=O)[O-]	REAL300000523110	0	35	-2.0	-105.35	318.22	4.35	-101.00
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C=C1C(=O)[O-]	REAL300000523112	0	30	-2.0	-103.78	305.28	4.42	-99.36
CSC1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1C(=O)[O-]	REAL300000523113	0	29	-2.0	-108.47	292.45	4.79	-103.68
CSC1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1C(=O)[O-]	REAL300000523114	0	29	-2.0	-108.83	283.88	3.77	-105.06
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523115	0	43	-2.0	-121.25	384.67	5.39	-115.86
CSC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1C(=O)[O-]	REAL300000523116	0	38	-2.0	-106.12	348.29	7.00	-99.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=N1	REAL300000523117	1	35	-2.0	-105.63	328.54	2.57	-103.06
CSC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1C(=O)[O-]	REAL300000523118	0	32	-2.0	-111.51	323.57	6.47	-105.04
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523120	1	43	-2.0	-109.86	379.93	7.03	-102.83
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523121	0	41	-2.0	-114.09	378.87	8.66	-105.43
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)C=C1C(=O)[O-]	REAL300000523122	0	41	-2.0	-113.69	374.70	8.37	-105.32
CSC1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300000523123	0	35	-2.0	-114.01	337.89	7.24	-106.77
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000523124	0	41	-2.0	-112.40	372.44	5.88	-106.52
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C=C1C(=O)[O-]	REAL300000523125	0	43	-2.0	-124.81	379.21	7.09	-117.72
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000523126	0	35	-2.0	-116.64	327.95	4.51	-112.13
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523127	1	39	-2.0	-114.38	352.69	6.11	-108.27
CSC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1C(=O)[O-]	REAL300000523128	0	32	-2.0	-112.90	323.68	6.75	-106.15
CSC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)C=C1C(=O)[O-]	REAL300000523130	1	41	-2.0	-115.00	368.64	8.82	-106.18
CSC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1C(=O)[O-]	REAL300000523131	0	29	-2.0	-109.82	309.32	5.34	-104.48
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CS2)C=C1C(=O)[O-]	REAL300000523132	0	32	-2.0	-110.61	314.91	5.55	-105.06
CSC1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1C(=O)[O-]	REAL300000523133	0	29	-2.0	-107.98	299.63	2.69	-105.29
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1C(=O)[O-]	REAL300000523134	0	31	-2.0	-107.17	308.26	4.00	-103.17
CSC1=CC=C([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000523135	0	41	-2.0	-106.91	365.89	4.95	-101.96
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000523136	1	41	-2.0	-106.20	370.52	4.44	-101.76
CSC1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1C(=O)[O-]	REAL300000523138	0	35	-2.0	-108.38	337.53	6.35	-102.03
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523139	0	37	-2.0	-121.17	348.37	4.86	-116.31
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NS2)C=C1C(=O)[O-]	REAL300000523140	0	31	-2.0	-104.72	309.84	4.18	-100.54
CSC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1C(=O)[O-]	REAL300000523144	0	29	-2.0	-111.71	299.62	4.92	-106.79
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000523145	0	35	-2.0	-112.19	339.98	4.74	-107.45
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1C(=O)[O-]	REAL300000523146	1	41	-2.0	-111.31	366.18	7.48	-103.83
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C=C1C(=O)[O-]	REAL300000523147	1	33	-2.0	-101.89	328.05	6.32	-95.57
CSC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1C(=O)[O-]	REAL300000523149	0	38	-2.0	-106.11	349.33	6.82	-99.29
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=C1C(=O)[O-]	REAL300000523150	0	33	-2.0	-110.81	334.23	5.18	-105.63
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C1C(=O)[O-]	REAL300000523153	0	32	-2.0	-103.20	333.92	6.08	-97.12
CSC1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1C(=O)[O-]	REAL300000523154	0	29	-2.0	-112.34	282.97	2.46	-109.88
CSC1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1C(=O)[O-]	REAL300000523155	0	37	-2.0	-116.96	338.33	2.79	-114.17
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)C=C(C)S2)C=C1C(=O)[O-]	REAL300000523156	0	35	-2.0	-114.46	333.96	6.32	-108.14
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=CN=C1C	REAL300000523157	0	40	-2.0	-104.29	367.58	5.22	-99.07
CSC1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000523158	0	33	-2.0	-101.39	324.74	4.74	-96.65
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)C=C1C(=O)[O-]	REAL300000523159	0	34	-2.0	-102.77	328.90	5.27	-97.50
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523160	1	41	-2.0	-117.75	378.30	7.32	-110.43
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=C1C(=O)[O-]	REAL300000523161	1	34	-2.0	-102.34	341.09	5.75	-96.59
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C)N=C2)C=C1C(=O)[O-]	REAL300000523165	0	35	-2.0	-109.49	321.99	4.11	-105.38
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300000523166	1	36	-2.0	-112.55	332.44	6.97	-105.58
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C)C=C1C(=O)[O-]	REAL300000523167	0	35	-2.0	-110.30	324.73	4.24	-106.06
CSC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000523168	0	32	-2.0	-102.71	317.23	4.48	-98.23
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C=C1C(=O)[O-]	REAL300000523170	1	37	-2.0	-109.52	347.78	3.08	-106.44
CSC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000523172	0	32	-2.0	-109.19	317.01	3.42	-105.77
CSC1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000523173	0	38	-2.0	-106.45	347.63	5.81	-100.64
CSC1=CC=C([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C=C1C(=O)[O-]	REAL300000523176	0	35	-2.0	-107.79	338.55	3.45	-104.34
COC1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000523177	1	36	-2.0	-105.75	346.88	5.75	-100.00
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)C=C1C(=O)[O-]	REAL300000523178	0	36	-2.0	-119.91	352.93	2.53	-117.38
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)[O-]	REAL300000523179	0	34	-3.0	-189.99	333.42	6.47	-183.52
CSC1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C1C(=O)[O-]	REAL300000523180	0	29	-2.0	-115.25	300.68	3.89	-111.36
CSC1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1C(=O)[O-]	REAL300000523181	0	34	-2.0	-123.12	332.54	5.31	-117.81
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1C(=O)[O-]	REAL300000523182	1	37	-2.0	-114.61	337.15	5.72	-108.89
CSC1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000523184	0	38	-2.0	-120.54	351.86	8.19	-112.35
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300000523185	0	35	-2.0	-113.52	328.47	7.39	-106.13
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1C(=O)[O-]	REAL300000523186	0	37	-2.0	-122.30	337.65	5.70	-116.60
CSC1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)C=C1C(=O)[O-]	REAL300000523192	0	35	-2.0	-118.76	331.26	6.83	-111.93
CSC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C1C(=O)[O-]	REAL300000523193	0	31	-2.0	-104.38	326.39	5.07	-99.31
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)C=C1C(=O)[O-]	REAL300000523194	1	37	-2.0	-111.35	345.20	4.33	-107.02
CSC1=CC=C(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000523195	0	38	-2.0	-106.46	357.63	7.07	-99.39
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000523195	1	37	-3.0	-174.79	354.75	7.12	-167.67
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523197	0	36	-2.0	-115.01	336.01	5.74	-109.27
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000523198	1	40	-2.0	-110.34	363.75	7.71	-102.63
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1Cl	REAL300000523200	0	35	-2.0	-102.55	344.60	3.11	-99.44
CSC1=CC=C([N-]S(=O)(=O)C2=CON=C2C)C=C1C(=O)[O-]	REAL300000523201	0	31	-2.0	-102.78	300.10	3.79	-98.99
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C=C1C(=O)[O-]	REAL300000523202	1	35	-2.0	-106.77	336.82	6.97	-99.80
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000523203	1	38	-2.0	-120.93	349.43	6.87	-114.06
CSC1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC(C)=C2)C=C1C(=O)[O-]	REAL300000523204	0	34	-2.0	-119.04	335.92	7.08	-111.96
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)C=C1C(=O)[O-]	REAL300000523206	1	35	-2.0	-106.51	343.34	4.08	-102.43
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1C(=O)[O-]	REAL300000523207	0	31	-2.0	-114.81	301.82	4.07	-110.74
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1C(=O)[O-]	REAL300000523210	0	31	-2.0	-102.28	302.74	4.03	-98.25
CSC1=CC=C([N-]S(=O)(=O)C2=C(C#N)SC=C2)C=C1C(=O)[O-]	REAL300000523212	0	30	-2.0	-115.74	311.76	5.28	-110.46
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1C(=O)[O-]	REAL300000523215	1	32	-2.0	-103.14	323.95	6.46	-96.68
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C1C(=O)[O-]	REAL300000523216	0	41	-2.0	-116.54	363.04	6.25	-110.29
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1C(=O)[O-]	REAL300000523217	0	40	-2.0	-121.62	353.54	7.09	-114.53
CSC1=CC=C([N-]S(=O)(=O)C2=COC(C(=O)N(C)C)=C2C)C=C1C(=O)[O-]	REAL300000523218	0	42	-2.0	-112.06	374.46	4.86	-107.20
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000523224	1	39	-2.0	-122.44	357.27	3.32	-119.12
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)N(C)N=C1	REAL300000523227	0	38	-2.0	-112.04	350.58	4.96	-107.08
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C(C)N2C)C=C1C(=O)[O-]	REAL300000523230	0	35	-2.0	-109.50	320.52	4.92	-104.58
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523231	1	45	-2.0	-114.95	391.37	7.55	-107.40
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=CN1CC1CC1	REAL300000523234	0	45	-2.0	-121.41	395.46	7.68	-113.73
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)O1	REAL300000523235	0	38	-2.0	-106.79	358.78	5.27	-101.52
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1C(=O)[O-]	REAL300000523236	0	35	-2.0	-108.74	341.09	5.39	-103.35
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300000523237	1	40	-2.0	-108.14	365.41	8.20	-99.94
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C=C1C(=O)[O-]	REAL300000523238	0	35	-2.0	-98.92	342.95	4.50	-94.42
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1C(=O)[O-]	REAL300000523239	0	31	-2.0	-107.79	318.72	4.49	-103.30
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=C1C(=O)[O-]	REAL300000523240	1	42	-2.0	-123.65	367.44	9.28	-114.37
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)C=C1C(=O)[O-]	REAL300000523242	0	35	-2.0	-115.20	333.47	6.66	-108.54
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)OC=C1	REAL300000523243	0	35	-2.0	-118.79	333.48	5.34	-113.45
CSC1=CC=C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000523245	0	34	-2.0	-123.71	328.44	4.87	-118.84
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C(C)=N1	REAL300000523246	0	44	-2.0	-109.93	389.26	6.64	-103.29
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(=O)[O-]	REAL300000523247	0	33	-3.0	-175.77	326.79	4.50	-171.27
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523248	0	36	-2.0	-110.45	334.11	6.02	-104.43
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300000523249	1	44	-2.0	-109.12	379.56	8.14	-100.98
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300000523250	1	33	-2.0	-102.99	328.59	6.34	-96.65
CSC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)C=C1C(=O)[O-]	REAL300000523251	0	35	-2.0	-106.81	334.47	4.51	-102.30
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1C(=O)[O-]	REAL300000523252	0	34	-2.0	-123.37	324.51	5.07	-118.30
CSC1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1C(=O)[O-]	REAL300000523252	1	34	-2.0	-111.01	324.61	4.93	-106.08
CSC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300000523253	0	36	-2.0	-119.87	335.09	5.85	-114.02
CSC1=CC=C([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)C=C1C(=O)[O-]	REAL300000523254	0	42	-2.0	-109.04	362.32	6.00	-103.04
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C=C1C(=O)[O-]	REAL300000523255	0	44	-2.0	-109.25	369.77	6.50	-102.75
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300000523257	0	42	-2.0	-109.37	368.77	6.23	-103.14
CSC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C=C1C(=O)[O-]	REAL300000523258	0	35	-2.0	-103.32	335.66	4.78	-98.54
CSC1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1C(=O)[O-]	REAL300000523260	0	33	-2.0	-101.61	316.73	4.41	-97.20
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1C(=O)[O-]	REAL300000523260	1	33	-2.0	-108.62	317.53	3.64	-104.98
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523262	0	35	-2.0	-124.88	332.33	3.54	-121.34
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523263	0	38	-2.0	-109.89	344.20	5.04	-104.85
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)C=C1C(=O)[O-]	REAL300000523264	1	37	-2.0	-111.41	348.65	6.45	-104.96
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C=C1C(=O)[O-]	REAL300000523265	0	32	-2.0	-104.73	306.56	3.24	-101.49
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C=C2C#N)C=C1C(=O)[O-]	REAL300000523266	0	36	-2.0	-119.29	340.84	6.84	-112.45
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)C=C1C(=O)[O-]	REAL300000523267	0	36	-2.0	-117.26	332.92	7.11	-110.15
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000523268	1	35	-2.0	-104.57	338.00	6.78	-97.79
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)C=C1C(=O)[O-]	REAL300000523270	1	39	-2.0	-115.50	365.09	7.84	-107.66
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523272	0	32	-2.0	-101.98	320.59	1.68	-100.30
CSC1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1C(=O)[O-]	REAL300000523274	0	28	-2.0	-104.41	288.08	3.59	-100.82
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523277	0	38	-3.0	-172.42	358.01	6.24	-166.18
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523277	1	39	-2.0	-96.67	358.64	5.78	-90.89
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000523278	0	36	-2.0	-109.15	340.85	1.49	-107.66
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523279	1	41	-2.0	-110.87	353.06	8.39	-102.48
CSC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1C(=O)[O-]	REAL300000523280	0	32	-2.0	-106.87	321.58	5.79	-101.08
CSC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000523282	0	31	-3.0	-166.66	329.95	5.42	-161.24
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1C(=O)[O-]	REAL300000523283	1	37	-2.0	-121.48	337.59	6.39	-115.09
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523284	0	39	-2.0	-112.69	361.76	6.14	-106.55
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)C=C1C(=O)[O-]	REAL300000523285	0	33	-2.0	-115.12	327.15	6.31	-108.81
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=N2)C=C1C(=O)[O-]	REAL300000523286	0	31	-2.0	-113.59	300.14	2.21	-111.38
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000523287	0	39	-2.0	-109.81	351.24	5.56	-104.25
CSC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1C(=O)[O-]	REAL300000523288	0	39	-2.0	-106.98	348.63	5.77	-101.21
CSC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1C(=O)[O-]	REAL300000523289	0	42	-2.0	-107.52	370.70	6.48	-101.04
CSC1=CC=C([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C=C1C(=O)[O-]	REAL300000523290	0	43	-2.0	-116.94	376.39	3.89	-113.05
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C1C(=O)[O-]	REAL300000523291	1	38	-2.0	-108.96	352.08	3.11	-105.85
CSC1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C1C(=O)[O-]	REAL300000523292	0	29	-2.0	-109.33	302.01	4.61	-104.72
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1F	REAL300000523293	1	36	-2.0	-101.90	347.22	5.43	-96.47
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1C(=O)[O-]	REAL300000523294	0	39	-2.0	-111.91	344.25	5.95	-105.96
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1F	REAL300000523295	0	36	-2.0	-109.31	342.52	5.32	-103.99
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000523296	0	42	-2.0	-116.70	375.78	7.28	-109.42
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)SC=C2C)C=C1C(=O)[O-]	REAL300000523297	0	35	-2.0	-108.36	324.39	6.59	-101.77
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C=C1C(=O)[O-]	REAL300000523298	0	40	-2.0	-123.21	358.52	6.46	-116.75
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C=C1C(=O)[O-]	REAL300000523299	0	40	-2.0	-108.94	370.01	5.55	-103.39
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C=C1C(=O)[O-]	REAL300000523300	1	40	-2.0	-113.34	369.55	8.10	-105.24
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523301	0	36	-2.0	-113.58	341.32	6.51	-107.07
CSC1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1C(=O)[O-]	REAL300000523302	0	29	-2.0	-109.43	306.77	5.32	-104.11
CSC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000523303	0	34	-2.0	-102.40	335.50	5.08	-97.32
CSC1=CC=C([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)C=C1C(=O)[O-]	REAL300000523304	0	37	-2.0	-126.69	343.09	5.48	-121.21
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523305	0	34	-2.0	-100.19	315.27	3.22	-96.97
CSC1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1C(=O)[O-]	REAL300000523307	1	33	-2.0	-101.21	316.22	4.67	-96.54
CSC1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1C(=O)[O-]	REAL300000523308	0	35	-2.0	-113.93	340.20	7.31	-106.62
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C1C(=O)[O-]	REAL300000523309	0	35	-2.0	-125.63	346.25	5.59	-120.04
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)C=C1C(=O)[O-]	REAL300000523310	0	39	-2.0	-105.74	352.27	5.65	-100.09
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1OC	REAL300000523312	0	40	-2.0	-115.34	357.10	5.81	-109.53
CSC1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300000523313	0	35	-2.0	-114.57	331.12	6.17	-108.40
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C=C1C(=O)[O-]	REAL300000523314	0	45	-2.0	-114.13	390.13	6.79	-107.34
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)C=C1C(=O)[O-]	REAL300000523315	0	39	-2.0	-112.74	356.64	5.81	-106.93
CSC1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300000523317	0	35	-2.0	-119.69	330.78	5.10	-114.59
CSC1=CC=C([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C=C1C(=O)[O-]	REAL300000523318	0	37	-2.0	-130.46	345.89	4.28	-126.18
CSC1=CC=C([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000523319	0	39	-2.0	-112.67	342.28	7.81	-104.86
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)C=C1C(=O)[O-]	REAL300000523320	1	36	-2.0	-111.60	329.35	3.60	-108.00
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523321	0	32	-2.0	-109.60	318.64	1.75	-107.85
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)NC=N2)C=C1C(=O)[O-]	REAL300000523322	0	32	-2.0	-121.89	301.73	3.91	-117.98
CSC1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1C(=O)[O-]	REAL300000523324	1	35	-2.0	-110.10	335.03	6.27	-103.83
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)C=C1C(=O)[O-]	REAL300000523325	0	42	-2.0	-113.32	372.89	6.28	-107.04
CSC1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1C(=O)[O-]	REAL300000523326	0	29	-2.0	-108.78	307.18	5.42	-103.36
CSC1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1C(=O)[O-]	REAL300000523327	0	42	-2.0	-110.31	375.32	6.52	-103.79
CSC1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1C(=O)[O-]	REAL300000523328	0	36	-2.0	-115.71	338.09	7.08	-108.63
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523329	1	41	-2.0	-113.53	365.74	8.10	-105.43
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523330	0	38	-2.0	-104.00	357.62	4.22	-99.78
CSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)C=C1C(=O)[O-]	REAL300000523331	0	33	-2.0	-114.55	325.85	6.24	-108.31
CSC1=CC=C([N-]S(=O)(=O)C2=C3CCCC3=NN2C)C=C1C(=O)[O-]	REAL300000523332	0	39	-2.0	-109.92	347.03	5.41	-104.51
CSC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)C=C1C(=O)[O-]	REAL300000523335	0	41	-2.0	-104.47	348.33	5.79	-98.68
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000523336	0	41	-2.0	-110.35	365.84	5.59	-104.76
CSC1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1C(=O)[O-]	REAL300000523337	0	39	-2.0	-110.34	349.90	4.98	-105.36
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300000523338	0	43	-2.0	-109.36	375.61	6.69	-102.67
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1C(=O)[O-]	REAL300000523339	1	35	-2.0	-111.29	329.33	6.71	-104.58
CSC1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C1C(=O)[O-]	REAL300000523340	0	32	-2.0	-110.65	322.87	6.26	-104.39
CSC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000523341	0	32	-2.0	-103.64	333.08	5.99	-97.65
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NN2C)C=C1C(=O)[O-]	REAL300000523342	0	35	-2.0	-105.28	323.52	4.10	-101.18
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C)=C2C)C=C1C(=O)[O-]	REAL300000523344	1	38	-2.0	-112.81	334.55	7.21	-105.60
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1C(=O)[O-]	REAL300000523345	0	35	-2.0	-110.87	329.13	6.90	-103.97
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523346	1	43	-2.0	-121.68	385.92	7.92	-113.76
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(COC(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000523348	1	41	-2.0	-112.53	379.76	7.54	-104.99
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)C=C1C(=O)[O-]	REAL300000523349	0	33	-2.0	-111.87	333.95	6.74	-105.13
CSC1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300000523350	0	32	-2.0	-111.94	321.37	6.12	-105.82
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000523351	1	39	-2.0	-113.56	350.57	7.98	-105.58
COC1=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=CS1	REAL300000523352	0	33	-2.0	-115.53	323.58	4.34	-111.19
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1C(=O)[O-]	REAL300000523353	0	39	-2.0	-115.48	356.06	8.06	-107.42
CSC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1C(=O)[O-]	REAL300000523354	0	42	-2.0	-107.39	366.09	6.51	-100.88
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523355	0	41	-2.0	-107.22	362.48	5.72	-101.50
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300000523356	1	41	-2.0	-117.68	372.55	3.40	-114.28
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)C=C1C(=O)[O-]	REAL300000523358	0	37	-2.0	-122.19	344.95	4.24	-117.95
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)O1	REAL300000523359	0	35	-2.0	-111.44	327.42	5.48	-105.96
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1C(=O)[O-]	REAL300000523360	0	32	-2.0	-104.49	325.20	5.11	-99.38
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523361	0	36	-2.0	-107.65	342.27	5.81	-101.84
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C=C1C(=O)[O-]	REAL300000523362	1	38	-2.0	-112.39	354.55	7.42	-104.97
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300000523363	1	36	-2.0	-111.58	340.59	5.47	-106.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)S1	REAL300000523364	0	33	-2.0	-108.67	325.14	4.33	-104.34
CSC1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1C(=O)[O-]	REAL300000523366	0	35	-2.0	-107.11	334.01	4.58	-102.53
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523367	1	42	-2.0	-114.10	378.26	6.57	-107.53
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1C(=O)[O-]	REAL300000523368	0	45	-2.0	-109.41	387.73	6.81	-102.60
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1C(=O)[O-]	REAL300000523369	1	35	-2.0	-115.59	322.98	6.81	-108.78
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1C(=O)[O-]	REAL300000523370	0	35	-2.0	-115.09	326.85	6.27	-108.82
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1C(=O)[O-]	REAL300000523371	1	34	-2.0	-113.44	332.28	5.28	-108.16
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=N1	REAL300000523372	0	34	-2.0	-109.41	322.05	2.75	-106.66
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1Cl	REAL300000523373	0	35	-2.0	-106.96	343.04	4.80	-102.16
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1C(=O)[O-]	REAL300000523374	0	29	-2.0	-105.52	301.09	4.50	-101.02
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000523375	1	41	-2.0	-121.51	360.12	8.73	-112.78
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C1C(=O)[O-]	REAL300000523377	0	32	-2.0	-107.15	328.86	6.50	-100.65
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1C(=O)[O-]	REAL300000523379	0	36	-2.0	-111.96	345.17	7.20	-104.76
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000523380	1	35	-2.0	-102.08	346.80	6.70	-95.38
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CO2)C=C1C(=O)[O-]	REAL300000523382	0	32	-2.0	-110.76	305.93	4.55	-106.21
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=NN1	REAL300000523383	0	38	-2.0	-109.72	361.71	3.68	-106.04
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1OC	REAL300000523384	0	37	-2.0	-111.81	355.23	4.56	-107.25
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000523385	0	31	-2.0	-97.89	318.97	4.52	-93.37
CSC1=CC=C([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)C=C1C(=O)[O-]	REAL300000523386	0	38	-2.0	-110.44	345.76	5.83	-104.61
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000523387	1	39	-2.0	-118.75	355.05	7.65	-111.10
CSC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=C1C(=O)[O-]	REAL300000523388	0	29	-2.0	-100.79	326.42	5.98	-94.81
CSC1=CC=C([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)C=C1C(=O)[O-]	REAL300000523389	0	32	-2.0	-106.54	321.19	3.93	-102.61
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C=C1C(=O)[O-]	REAL300000523390	0	38	-2.0	-123.99	339.18	7.72	-116.27
CSC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C=C1C(=O)[O-]	REAL300000523391	0	30	-2.0	-111.98	303.20	4.35	-107.63
CSC1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000523392	0	34	-2.0	-102.31	329.09	5.28	-97.03
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300000523393	1	43	-2.0	-115.17	385.01	7.51	-107.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000523394	0	42	-2.0	-112.89	378.17	6.67	-106.22
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000523395	0	36	-2.0	-119.23	339.36	5.23	-114.00
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=NN2C2CCCC2)C=C1C(=O)[O-]	REAL300000523398	0	45	-2.0	-108.45	388.11	7.08	-101.37
CSC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1C(=O)[O-]	REAL300000523399	0	29	-2.0	-108.11	300.13	4.38	-103.73
CSC1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1C(=O)[O-]	REAL300000523400	0	29	-2.0	-105.53	310.15	5.40	-100.13
CSC1=CC=C([N-]S(=O)(=O)C2=C3COCCC3=NN2C)C=C1C(=O)[O-]	REAL300000523401	0	40	-2.0	-107.38	353.65	3.61	-103.77
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1C(=O)[O-]	REAL300000523402	1	39	-2.0	-115.62	344.90	8.06	-107.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C(C)=N1	REAL300000523405	1	38	-2.0	-105.32	344.19	3.32	-102.00
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523406	0	38	-2.0	-116.30	348.73	3.72	-112.58
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523407	0	35	-2.0	-109.88	344.04	3.57	-106.31
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1C	REAL300000523408	1	38	-2.0	-106.61	348.66	3.30	-103.31
CSC1=CC=C([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000523409	0	41	-2.0	-109.11	364.30	6.03	-103.08
CSC1=CC=C([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000523410	0	41	-2.0	-110.58	364.95	5.62	-104.96
CSC1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C1C(=O)[O-]	REAL300000523411	0	31	-2.0	-108.33	328.68	3.87	-104.46
CSC1=CC=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C=C1C(=O)[O-]	REAL300000523412	0	30	-2.0	-112.13	304.27	4.29	-107.84
CSC1=CC=C([N-]S(=O)(=O)C2=C(C#N)C=CS2)C=C1C(=O)[O-]	REAL300000523413	0	30	-2.0	-110.95	313.40	5.21	-105.74
CSC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C(C)C)C=C1C(=O)[O-]	REAL300000523414	0	38	-2.0	-106.04	343.06	5.13	-100.91
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C1C	REAL300000523415	0	40	-2.0	-104.25	368.12	5.25	-99.00
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300000523416	0	35	-2.0	-117.70	343.20	7.70	-110.00
CSC1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1C(=O)[O-]	REAL300000523417	0	39	-2.0	-105.66	353.55	6.00	-99.66
CSC1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300000523418	0	39	-2.0	-113.81	357.59	6.90	-106.91
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)C=C1C(=O)[O-]	REAL300000523420	0	41	-2.0	-110.27	365.82	5.62	-104.65
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=C1C(=O)[O-]	REAL300000523421	1	39	-2.0	-119.82	361.20	8.09	-111.73
CSC1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000523422	0	34	-2.0	-105.97	328.71	4.91	-101.06
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000523424	1	39	-2.0	-112.35	362.84	8.12	-104.23
CSC1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C=C1C(=O)[O-]	REAL300000523425	0	36	-2.0	-114.27	351.80	6.36	-107.91
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1C(=O)[O-]	REAL300000523426	1	33	-2.0	-112.95	312.36	3.03	-109.92
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523427	1	41	-2.0	-116.49	366.27	7.56	-108.93
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C1C(=O)[O-]	REAL300000523428	0	35	-2.0	-120.83	341.01	6.88	-113.95
CSC1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1C(=O)[O-]	REAL300000523429	0	28	-2.0	-102.64	287.00	3.49	-99.15
CSC1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000523430	0	36	-2.0	-121.19	349.23	5.15	-116.04
CSC1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=C1C(=O)[O-]	REAL300000523431	1	39	-2.0	-120.41	357.17	8.19	-112.22
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523432	0	37	-2.0	-119.34	342.13	5.47	-113.87
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(SC)C(C(=O)[O-])=C1	REAL300000523433	0	38	-2.0	-129.02	353.93	7.40	-121.62
CSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000523434	0	40	-2.0	-129.13	359.07	7.05	-122.08
CCC1=C(S(=O)(=O)[N-]C2=CC=C(SC)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000523435	0	37	-3.0	-171.86	351.94	6.44	-165.42
CCC1=C(S(=O)(=O)NC2=CC=C(SC)C(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000523435	1	38	-2.0	-100.46	354.62	5.88	-94.58
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300000523436	0	45	-2.0	-121.73	390.79	7.89	-113.84
CSC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)C=C1C(=O)[O-]	REAL300000523437	0	32	-2.0	-104.34	326.62	6.27	-98.07
CSC1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1C(=O)[O-]	REAL300000523438	0	28	-2.0	-106.92	287.92	3.00	-103.92
CSC1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1C(=O)[O-]	REAL300000523439	0	39	-2.0	-111.48	347.06	5.20	-106.28
CSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC=C2F)C=C1C(=O)[O-]	REAL300000523440	0	35	-2.0	-117.24	328.26	6.61	-110.63
CC1=CC=C(OCC2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000523441	1	45	-2.0	-101.61	396.81	9.06	-92.55
CC1=CC=C(OCC2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000523442	1	45	-2.0	-114.86	396.83	9.05	-105.81
CC1=CC=C(OCC2=CC=CC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000523443	0	44	-2.0	-112.65	393.04	7.18	-105.47
COC(=O)C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000523460	0	42	-2.0	-111.19	357.19	6.71	-104.48
COC(=O)CCCCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(F)(F)F	REAL300000523472	0	41	-2.0	-100.76	379.07	4.25	-96.51
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000523473	1	39	-2.0	-87.19	359.30	1.57	-85.62
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(O)C=C1C	REAL300000523475	0	40	-2.0	-104.84	362.47	4.07	-100.77
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000523477	1	32	-2.0	-105.69	302.85	2.97	-102.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(O)C=C1C	REAL300000523478	0	36	-2.0	-111.45	330.99	2.78	-108.67
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000523479	1	36	-2.0	-93.11	334.29	4.27	-88.84
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000523481	0	32	-2.0	-101.60	315.92	3.55	-98.05
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000523482	1	32	-2.0	-100.97	315.36	3.37	-97.60
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000523483	0	32	-2.0	-97.27	328.41	3.93	-93.34
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000523485	0	32	-2.0	-103.18	308.32	3.04	-100.14
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000523486	1	38	-2.0	-92.54	346.41	4.57	-87.97
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000523487	0	29	-2.0	-99.78	296.03	1.99	-97.79
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000523490	1	33	-2.0	-103.98	309.49	2.33	-101.65
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=C(O)C=C2C)=C1	REAL300000523492	0	32	-2.0	-96.10	311.95	2.67	-93.43
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000523494	0	29	-2.0	-101.18	294.50	2.01	-99.17
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000523497	1	42	-2.0	-111.54	358.08	5.61	-105.93
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000523498	1	41	-2.0	-109.29	356.74	4.99	-104.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(O)C=C1C	REAL300000523499	1	38	-2.0	-105.82	332.45	4.69	-101.13
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(O)C=C1C	REAL300000523500	0	39	-2.0	-110.97	353.28	3.55	-107.42
CC1=CC(O)=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000523501	0	35	-2.0	-109.81	329.75	3.48	-106.33
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000523501	1	34	-3.0	-179.41	331.24	3.54	-175.87
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000523502	1	39	-2.0	-111.83	347.09	4.88	-106.95
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(O)C=C2C)C=C(C(=O)[O-])O1	REAL300000523503	0	32	-2.0	-100.01	305.85	2.12	-97.89
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000523504	1	38	-2.0	-110.39	345.00	2.75	-107.64
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(O)C=C2C)=C1	REAL300000523505	0	36	-2.0	-105.47	331.77	2.07	-103.40
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000523507	1	32	-2.0	-95.35	330.51	3.83	-91.52
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000523508	0	32	-2.0	-98.43	320.44	3.56	-94.87
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000523511	1	35	-2.0	-97.71	323.56	3.80	-93.91
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000523513	1	36	-2.0	-91.26	340.15	3.32	-87.94
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(O)C=C2C)C=C(C(=O)[O-])S1	REAL300000523515	1	32	-2.0	-103.44	312.54	2.86	-100.58
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000523516	0	32	-2.0	-95.72	331.07	4.00	-91.72
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000523517	0	32	-2.0	-90.79	315.90	3.55	-87.24
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000523518	1	32	-2.0	-92.68	307.37	3.02	-89.66
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000523519	0	29	-2.0	-95.04	295.11	2.11	-92.93
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000523520	1	32	-2.0	-96.12	309.25	3.05	-93.07
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000523521	0	35	-2.0	-104.50	328.60	3.68	-100.82
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(O)C=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000523522	0	36	-2.0	-95.36	343.15	3.61	-91.75
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000523523	0	32	-2.0	-92.44	308.31	3.05	-89.39
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000523524	1	32	-2.0	-90.69	315.34	3.38	-87.31
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000523525	1	35	-2.0	-99.40	332.29	4.18	-95.22
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000523526	1	40	-2.0	-90.01	366.57	4.39	-85.62
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000523527	1	32	-2.0	-94.88	313.66	3.07	-91.81
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000523528	1	34	-2.0	-90.43	331.04	3.64	-86.79
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000523529	0	33	-2.0	-106.42	312.56	0.69	-105.73
CC1=CC(O)=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000523529	1	33	-2.0	-106.31	310.00	1.50	-104.81
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000523530	1	35	-2.0	-97.41	325.03	3.76	-93.65
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000523531	1	32	-2.0	-96.29	323.54	3.51	-92.78
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000523536	0	34	-2.0	-103.59	329.42	4.07	-99.52
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000523537	0	32	-2.0	-94.93	314.58	3.11	-91.82
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000523539	0	35	-2.0	-105.40	328.16	3.68	-101.72
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000523540	0	35	-2.0	-103.37	334.61	4.12	-99.25
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(O)C=C2C)=C1	REAL300000523541	0	35	-2.0	-109.42	327.88	3.67	-105.75
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000523544	1	35	-2.0	-94.65	329.11	4.16	-90.49
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000523546	1	35	-2.0	-102.76	334.06	3.94	-98.82
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(O)C=C2C)C=C1C(=O)[O-]	REAL300000523547	1	36	-2.0	-105.24	330.79	3.19	-102.05
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000523549	0	32	-2.0	-93.51	328.46	3.54	-89.97
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000523550	1	35	-2.0	-98.98	332.70	3.95	-95.03
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000523551	1	41	-2.0	-103.17	352.28	5.11	-98.06
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(F)=C(O)C=C2C)C=C1C(=O)[O-]	REAL300000523552	1	36	-2.0	-107.21	343.17	3.61	-103.60
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000523554	0	37	-2.0	-98.14	346.10	5.17	-92.97
CC1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000523554	1	36	-3.0	-177.88	342.53	5.93	-171.95
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000523556	0	34	-2.0	-111.88	326.57	4.83	-107.05
CC1=CC([O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000523556	1	33	-3.0	-192.58	323.00	5.59	-186.99
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000523557	0	32	-2.0	-108.76	306.48	3.01	-105.75
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000523558	1	35	-2.0	-97.37	324.00	3.55	-93.82
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000523559	1	38	-2.0	-113.14	343.89	5.10	-108.04
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000523560	0	31	-2.0	-103.57	299.82	1.04	-102.53
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(O)C=C1C	REAL300000523561	0	36	-2.0	-97.40	331.05	2.77	-94.63
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000523562	0	29	-2.0	-93.75	302.94	1.96	-91.79
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000523563	1	39	-2.0	-100.41	348.97	4.87	-95.54
CC1=CC(O)=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000523564	1	39	-2.0	-101.34	346.92	4.85	-96.49
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(O)C=C2C)C=C(C(=O)[O-])O1	REAL300000523565	0	35	-2.0	-100.07	324.96	2.97	-97.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=CC=C1F	REAL300000523566	1	33	-2.0	-101.94	321.31	5.68	-96.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1	REAL300000523567	1	33	-2.0	-90.28	316.73	5.66	-84.62
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000523568	1	33	-2.0	-102.23	316.77	5.65	-96.58
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(F)F)C=C1	REAL300000523569	0	37	-2.0	-107.15	344.90	5.46	-101.69
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1	REAL300000523570	1	37	-2.0	-89.71	349.45	6.98	-82.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000523571	1	36	-2.0	-103.90	336.84	6.30	-97.60
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000523572	0	33	-2.0	-100.54	329.84	6.23	-94.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=CC=C1Cl	REAL300000523573	1	33	-2.0	-100.22	329.28	6.05	-94.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1C	REAL300000523574	1	39	-2.0	-103.73	350.39	7.00	-96.73
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000523575	0	33	-2.0	-98.14	323.48	5.74	-92.40
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1	REAL300000523576	1	39	-2.0	-88.69	361.56	7.27	-81.42
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000523577	0	30	-2.0	-98.82	309.96	4.68	-94.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(F)F)C=C1	REAL300000523578	1	36	-2.0	-101.95	333.43	6.48	-95.47
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1	REAL300000523579	1	37	-2.0	-88.31	349.07	5.97	-82.34
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000523580	0	34	-2.0	-99.72	324.65	5.04	-94.68
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(F)F)C=C1	REAL300000523581	1	37	-2.0	-103.85	340.54	4.49	-99.36
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000523582	0	33	-2.0	-92.56	327.13	5.37	-87.19
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000523583	1	39	-2.0	-103.22	349.26	7.04	-96.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=CS1	REAL300000523584	0	30	-2.0	-100.77	308.42	4.70	-96.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000523585	1	37	-2.0	-107.68	345.29	5.75	-101.93
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(F)F)C=C1	REAL300000523586	1	42	-2.0	-103.84	371.90	7.70	-96.14
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(F)F)C=C1	REAL300000523587	1	39	-2.0	-101.70	346.93	7.38	-94.32
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(F)F)C=C1	REAL300000523588	0	40	-2.0	-106.66	368.43	6.25	-100.41
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(=O)C(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300000523589	0	36	-2.0	-106.97	348.89	6.20	-100.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300000523589	1	35	-3.0	-175.33	346.40	6.25	-169.08
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000523590	1	40	-2.0	-109.78	361.02	7.55	-102.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000523591	0	33	-2.0	-95.70	321.04	4.83	-90.87
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000523592	0	37	-2.0	-105.84	345.74	4.74	-101.10
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=CC=C1OCC(=O)[O-]	REAL300000523593	1	40	-2.0	-89.06	367.91	6.64	-82.42
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(F)F)C=C1	REAL300000523594	1	36	-2.0	-96.68	337.49	6.48	-90.20
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000523595	1	40	-2.0	-111.44	365.91	6.63	-104.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000523596	0	33	-2.0	-98.68	326.63	5.59	-93.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C(Cl)=C1	REAL300000523597	0	33	-2.0	-87.60	331.05	6.24	-81.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1F	REAL300000523598	1	33	-2.0	-89.73	322.54	5.72	-84.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)S1	REAL300000523599	0	30	-2.0	-91.44	310.26	4.81	-86.63
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000523600	0	33	-2.0	-95.34	323.18	5.72	-89.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1F	REAL300000523601	0	36	-2.0	-103.25	342.53	6.36	-96.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C(F)=C1	REAL300000523602	0	33	-2.0	-91.94	322.24	5.73	-86.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1Cl	REAL300000523603	1	33	-2.0	-87.61	330.51	6.08	-81.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=CC(F)=C1F	REAL300000523604	1	33	-2.0	-94.29	327.59	5.75	-88.54
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000523605	0	34	-2.0	-100.87	327.72	3.40	-97.47
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000523605	1	34	-2.0	-101.30	326.70	4.19	-97.11
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1	REAL300000523606	1	36	-2.0	-92.73	340.16	6.47	-86.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(F)F)C=C1	REAL300000523607	1	36	-2.0	-99.41	330.04	6.42	-92.99
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=CC(C(=O)[O-])=C1F	REAL300000523608	1	36	-2.0	-103.88	341.61	6.31	-97.57
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(F)F)C=C1	REAL300000523609	1	36	-2.0	-92.97	332.18	6.44	-86.53
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=CC(C(=O)[O-])=C1C	REAL300000523610	1	39	-2.0	-103.87	350.95	6.75	-97.12
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000523611	0	33	-2.0	-93.68	328.53	5.78	-87.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C(C)=C1C(=O)[O-]	REAL300000523612	1	39	-2.0	-102.65	351.68	7.09	-95.56
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000523613	0	36	-2.0	-99.15	339.33	6.28	-92.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000523614	0	36	-2.0	-108.99	341.79	6.35	-102.64
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000523615	1	39	-2.0	-102.68	351.96	6.87	-95.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1CC(=O)[O-]	REAL300000523616	1	40	-2.0	-103.78	368.47	5.81	-97.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000523617	0	37	-2.0	-101.93	344.78	5.88	-96.05
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000523618	1	36	-2.0	-92.74	332.78	6.20	-86.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(F)F)C=C1	REAL300000523619	1	36	-2.0	-99.71	337.95	6.51	-93.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1F	REAL300000523620	0	33	-2.0	-105.72	320.41	5.69	-100.03
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C1C(=O)[O-]	REAL300000523621	1	36	-2.0	-94.57	343.19	6.37	-88.20
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000523622	0	32	-2.0	-99.23	314.21	3.82	-95.41
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)C(F)F)C=C1	REAL300000523623	0	37	-2.0	-93.74	346.20	5.49	-88.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)=C(Cl)O1	REAL300000523624	0	30	-2.0	-89.76	318.15	4.66	-85.10
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)C(F)F)C=C3)C=C2)CC1	REAL300000523625	1	40	-2.0	-96.07	360.73	7.48	-88.59
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)C(F)F)C=C3)C=C2C1	REAL300000523626	1	40	-2.0	-102.07	362.22	7.55	-94.52
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)C(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000523627	0	36	-2.0	-99.05	338.90	5.65	-93.40
CCCN(C1=CC=C(Cl)C(C)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000523656	0	41	-2.0	-105.87	358.29	7.86	-98.01
CCCN(C1=CC=C(C)C(Cl)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000523703	0	41	-2.0	-106.39	371.17	7.79	-98.60
CCCN(C1=CC=C(C)C(C)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000523745	0	46	-2.0	-113.21	387.19	9.48	-103.73
CCCN(C1=CC=C(C)C(C)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000523765	0	44	-2.0	-110.85	361.89	7.98	-102.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=CC=C1F	REAL300000523796	1	34	-2.0	-104.40	330.70	4.73	-99.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)C=C1	REAL300000523797	1	34	-2.0	-94.65	326.16	4.71	-89.94
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=C1	REAL300000523798	1	34	-2.0	-106.81	326.17	4.70	-102.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCCOC2=C1	REAL300000523799	0	38	-2.0	-112.37	354.31	4.50	-107.87
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)C=C1	REAL300000523800	1	38	-2.0	-94.41	357.63	5.99	-88.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)C=C1C(=O)[O-]	REAL300000523801	1	37	-2.0	-107.92	342.19	5.23	-102.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=C1C	REAL300000523802	1	40	-2.0	-110.05	358.84	6.04	-104.01
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=C1	REAL300000523803	0	34	-2.0	-104.10	331.64	4.76	-99.34
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)C=C1	REAL300000523804	1	40	-2.0	-93.61	369.75	6.29	-87.32
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=C1	REAL300000523805	0	31	-2.0	-101.15	319.35	3.71	-97.44
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCCOC2=C1	REAL300000523806	1	37	-2.0	-107.95	341.60	5.49	-102.46
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)C=C1C(=O)[O-]	REAL300000523808	0	35	-2.0	-105.22	332.82	4.04	-101.18
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=C1	REAL300000523810	0	34	-2.0	-97.37	335.28	4.38	-92.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=CS1	REAL300000523812	0	31	-2.0	-102.64	317.82	3.73	-98.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCCOC2=C1	REAL300000523814	1	40	-2.0	-106.53	356.30	6.43	-100.10
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)C=C(C(=O)[O-])O1	REAL300000523815	0	34	-2.0	-100.97	329.17	3.83	-97.14
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=C1	REAL300000523816	0	38	-2.0	-107.94	355.16	3.79	-104.15
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)C=C(C(=O)[O-])S1	REAL300000523817	0	34	-2.0	-104.30	335.86	4.58	-99.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)C=C1F	REAL300000523818	1	34	-2.0	-94.16	330.69	4.74	-89.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)S1	REAL300000523819	0	31	-2.0	-96.21	318.44	3.83	-92.38
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=C1	REAL300000523820	1	34	-2.0	-97.75	332.57	4.76	-92.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)C(F)=C1	REAL300000523821	0	34	-2.0	-93.96	331.63	4.77	-89.19
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=C1	REAL300000523822	0	35	-2.0	-106.97	335.88	2.41	-104.56
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(Cl)=C3OCCOC3=C2)=C1	REAL300000523822	1	35	-2.0	-106.96	335.07	3.20	-103.76
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)C=C1	REAL300000523823	1	37	-2.0	-98.12	348.33	5.48	-92.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCCOC2=C1	REAL300000523824	1	37	-2.0	-103.05	336.24	5.34	-97.71
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=CC(C(=O)[O-])=C1C	REAL300000523826	1	40	-2.0	-111.14	362.97	5.87	-105.27
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)C=C1C(=O)[O-]	REAL300000523828	1	40	-2.0	-108.63	360.14	5.88	-102.75
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)C=C1C(=O)[O-]	REAL300000523829	0	38	-2.0	-106.47	354.20	4.91	-101.56
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=CC=C1C(=O)[O-]	REAL300000523830	1	37	-2.0	-94.71	342.18	5.24	-89.47
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=C1F	REAL300000523831	0	34	-2.0	-110.71	329.83	4.73	-105.98
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=C1	REAL300000523832	0	33	-2.0	-104.38	322.38	2.81	-101.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCCOC2=C1	REAL300000523833	0	38	-2.0	-98.77	354.37	4.49	-94.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)=C(Cl)O1	REAL300000523834	0	31	-2.0	-94.84	326.32	3.67	-91.17
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCOC3=C2)C=C(C(=O)[O-])O1	REAL300000523835	0	37	-2.0	-100.96	348.30	4.68	-96.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=CC=C1F	REAL300000523836	0	32	-2.0	-105.53	316.26	4.35	-101.18
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CC2(F)F)N=C1	REAL300000523837	0	40	-2.0	-106.45	371.31	5.41	-101.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1	REAL300000523838	0	32	-2.0	-96.00	311.68	4.32	-91.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1	REAL300000523839	0	32	-2.0	-107.90	311.73	4.31	-103.59
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CC2(F)F)N=C1	REAL300000523840	0	36	-2.0	-113.22	339.84	4.12	-109.10
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1	REAL300000523841	0	36	-2.0	-95.57	343.15	5.61	-89.96
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1C(=O)[O-]	REAL300000523842	0	35	-2.0	-109.46	327.75	4.85	-104.61
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1	REAL300000523843	0	32	-2.0	-103.66	324.77	4.89	-98.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=CC=C1Cl	REAL300000523844	0	32	-2.0	-103.84	324.24	4.70	-99.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1C	REAL300000523845	0	38	-2.0	-110.61	344.13	5.63	-104.98
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1	REAL300000523846	0	32	-2.0	-105.02	317.17	4.38	-100.64
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1	REAL300000523847	0	38	-2.0	-94.91	355.27	5.90	-89.01
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1	REAL300000523848	0	29	-2.0	-102.29	304.91	3.35	-98.94
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CC2(F)F)N=C1	REAL300000523849	0	35	-2.0	-108.73	327.12	5.11	-103.62
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1	REAL300000523850	0	36	-2.0	-94.27	342.77	4.60	-89.67
CN1C=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1C(=O)[O-]	REAL300000523851	0	33	-2.0	-106.54	318.34	3.68	-102.86
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CC2(F)F)N=C1	REAL300000523852	0	36	-2.0	-109.19	335.94	3.13	-106.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1	REAL300000523853	0	32	-2.0	-98.79	320.85	4.00	-94.79
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1C(=O)[O-]	REAL300000523854	0	38	-2.0	-110.20	342.76	5.66	-104.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=CS1	REAL300000523855	0	29	-2.0	-103.67	303.38	3.35	-100.32
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1C(=O)[O-]	REAL300000523856	0	36	-2.0	-113.75	338.98	4.39	-109.36
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1	REAL300000523857	0	42	-2.0	-112.53	366.94	6.95	-105.58
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CC2(F)F)N=C1	REAL300000523858	0	41	-2.0	-110.84	365.60	6.32	-104.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CC2(F)F)N=C1	REAL300000523859	0	38	-2.0	-107.12	341.88	6.03	-101.09
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CC2(F)F)N=C1	REAL300000523860	0	39	-2.0	-112.97	362.12	4.89	-108.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=CC(C(=O)[O-])=C1	REAL300000523861	0	34	-3.0	-182.63	340.12	4.90	-177.73
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1	REAL300000523862	0	39	-2.0	-112.91	355.98	6.22	-106.69
CC1=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000523863	0	32	-2.0	-102.07	314.74	3.47	-98.60
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1	REAL300000523864	0	36	-2.0	-109.44	340.71	3.41	-106.03
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN(C4CC4(F)F)N=C3)C=C2C1	REAL300000523865	0	40	-2.0	-95.67	365.35	4.93	-90.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C(Cl)C=C1F	REAL300000523866	0	32	-2.0	-100.47	329.29	4.90	-95.57
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=CC=C1OCC(=O)[O-]	REAL300000523867	0	39	-2.0	-94.73	362.85	5.30	-89.43
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CC2(F)F)N=C1	REAL300000523868	0	35	-2.0	-99.51	332.40	5.14	-94.37
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1F	REAL300000523869	0	36	-2.0	-93.79	349.02	4.66	-89.13
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1C(=O)[O-]	REAL300000523870	0	39	-2.0	-114.78	360.86	5.30	-109.48
CC1=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C(C(=O)[O-])S1	REAL300000523871	0	32	-2.0	-105.21	321.39	4.21	-101.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C(Cl)=C1	REAL300000523872	0	32	-2.0	-93.67	324.78	4.88	-88.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1F	REAL300000523873	0	32	-2.0	-95.53	316.22	4.36	-91.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)S1	REAL300000523874	0	29	-2.0	-97.50	304.00	3.44	-94.06
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1	REAL300000523875	0	32	-2.0	-98.93	318.12	4.38	-94.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1F	REAL300000523876	0	35	-2.0	-106.45	337.49	5.02	-101.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C(F)=C1	REAL300000523877	0	32	-2.0	-95.34	317.19	4.39	-90.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1Cl	REAL300000523878	0	32	-2.0	-93.59	324.19	4.71	-88.88
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CC2(F)F)N=C1	REAL300000523879	0	35	-2.0	-101.22	341.13	5.52	-95.70
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1	REAL300000523880	0	40	-2.0	-92.42	375.44	5.72	-86.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=CC(F)=C1F	REAL300000523881	0	32	-2.0	-97.59	322.53	4.41	-93.18
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1	REAL300000523882	0	34	-2.0	-93.17	339.90	4.98	-88.19
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1	REAL300000523883	0	33	-2.0	-107.70	321.41	2.04	-105.66
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1	REAL300000523884	0	35	-2.0	-100.19	333.87	5.10	-95.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=CC(Cl)=C1F	REAL300000523885	0	32	-2.0	-99.00	332.42	4.85	-94.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2CC2(F)F)N=C1	REAL300000523886	0	35	-2.0	-104.59	321.80	4.94	-99.65
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=CC(C(=O)[O-])=C1F	REAL300000523887	0	35	-2.0	-106.87	336.53	4.96	-101.91
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CC2(F)F)N=C1	REAL300000523888	0	35	-2.0	-96.19	327.10	5.09	-91.10
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=CC(C(=O)[O-])=C1C	REAL300000523889	0	38	-2.0	-112.73	348.52	5.48	-107.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=CC=C1[N+](=O)[O-]	REAL300000523890	0	34	-2.0	-106.42	338.28	5.41	-101.01
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1	REAL300000523891	0	32	-2.0	-96.84	323.49	4.44	-92.40
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C(C)=C1C(=O)[O-]	REAL300000523892	0	38	-2.0	-109.01	345.08	5.73	-103.28
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1C(=O)[O-]	REAL300000523893	0	35	-2.0	-106.12	333.17	4.92	-101.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1Cl	REAL300000523894	0	35	-2.0	-105.39	343.49	5.46	-99.93
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1	REAL300000523895	0	35	-2.0	-113.00	336.76	5.00	-108.00
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1C(=O)[O-]	REAL300000523896	0	38	-2.0	-110.12	345.66	5.50	-104.62
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1CC(=O)[O-]	REAL300000523897	0	39	-2.0	-109.81	362.19	4.44	-105.37
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C2CC2(F)F)N=C1	REAL300000523898	0	35	-2.0	-97.85	338.52	5.45	-92.40
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000523899	0	35	-2.0	-105.62	342.92	5.27	-100.35
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1C(=O)[O-]	REAL300000523900	0	36	-2.0	-107.80	339.71	4.54	-103.26
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C(C)=C1CC(=O)[O-]	REAL300000523901	0	44	-2.0	-108.74	376.84	7.19	-101.55
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1C(=O)[O-]	REAL300000523902	0	35	-2.0	-102.79	345.45	5.38	-97.41
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000523903	0	35	-2.0	-96.17	327.73	4.87	-91.30
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CC2(F)F)N=C1	REAL300000523904	0	35	-2.0	-106.24	331.69	5.12	-101.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1[N+](=O)[O-]	REAL300000523905	0	34	-2.0	-115.42	335.43	6.17	-109.25
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1F	REAL300000523906	0	32	-2.0	-112.27	315.35	4.35	-107.92
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C1C(=O)[O-]	REAL300000523907	0	35	-2.0	-101.00	336.65	4.99	-96.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=CC2=CC=CC=C21	REAL300000523908	0	38	-2.0	-116.37	352.74	6.44	-109.93
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C1	REAL300000523909	0	31	-2.0	-105.47	307.95	2.45	-103.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CC2(F)F)N=C1	REAL300000523910	0	36	-2.0	-100.18	339.93	4.12	-96.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)=C(Cl)O1	REAL300000523911	0	29	-2.0	-96.00	311.84	3.29	-92.71
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(C4CC4(F)F)N=C3)C=C2)CC1	REAL300000523912	0	39	-2.0	-101.66	355.67	6.14	-95.52
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(C4CC4(F)F)N=C3)C=C2C1	REAL300000523913	0	39	-2.0	-105.78	357.16	6.20	-99.58
CCC1=C(S(=O)(=O)[N-]C2=CN(C3CC3(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300000523914	0	35	-2.0	-102.00	333.86	4.32	-97.68
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000523915	0	42	-2.0	-86.24	381.01	3.43	-82.81
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000523916	1	35	-2.0	-101.68	329.09	4.88	-96.80
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000523917	0	43	-2.0	-102.59	384.18	5.94	-96.65
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000523918	1	35	-2.0	-92.48	324.53	4.86	-87.62
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000523919	1	35	-2.0	-105.27	324.56	4.85	-100.42
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000523920	0	39	-2.0	-109.05	352.69	4.65	-104.40
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000523921	1	39	-2.0	-92.12	356.00	6.15	-85.97
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000523922	1	38	-2.0	-106.46	340.57	5.37	-101.09
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000523923	0	35	-2.0	-99.54	337.64	5.42	-94.12
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000523924	1	35	-2.0	-100.01	337.06	5.24	-94.77
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000523925	1	41	-2.0	-106.52	357.23	6.19	-100.33
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000523926	0	35	-2.0	-101.36	330.03	4.91	-96.45
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000523927	1	41	-2.0	-91.38	368.13	6.43	-84.95
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000523928	0	32	-2.0	-98.69	317.75	3.87	-94.82
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000523929	1	38	-2.0	-104.40	339.99	5.63	-98.77
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000523930	1	39	-2.0	-90.75	355.62	5.13	-85.62
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000523931	0	36	-2.0	-102.57	331.20	4.20	-98.37
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000523932	1	39	-2.0	-105.11	348.35	3.68	-101.43
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000523933	0	35	-2.0	-95.55	333.67	4.54	-91.01
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000523934	1	41	-2.0	-105.60	356.02	6.17	-99.43
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000523935	0	32	-2.0	-100.97	316.20	3.88	-97.09
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000523936	1	43	-2.0	-105.89	382.88	4.66	-101.23
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000523937	1	39	-2.0	-110.00	351.84	4.92	-105.08
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000523938	1	45	-2.0	-108.21	379.80	7.48	-100.73
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000523939	1	44	-2.0	-106.29	378.46	6.86	-99.43
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1COC	REAL300000523940	1	41	-2.0	-102.17	353.39	6.60	-95.57
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000523941	0	42	-2.0	-109.83	374.99	5.42	-104.41
COCC1=C(F)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000523942	0	38	-2.0	-105.49	352.23	5.34	-100.15
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000523942	1	37	-3.0	-179.85	352.96	5.42	-174.43
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000523943	1	42	-2.0	-109.89	368.80	6.75	-103.14
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000523944	0	35	-2.0	-99.05	327.56	3.99	-95.06
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000523945	1	41	-2.0	-109.12	366.72	4.62	-104.50
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000523946	0	39	-2.0	-105.80	353.55	3.94	-101.86
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000523947	1	43	-2.0	-91.58	377.48	5.45	-86.13
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000523948	0	35	-2.0	-96.35	342.15	5.45	-90.90
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000523949	1	42	-2.0	-91.14	375.72	5.83	-85.31
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000523950	0	38	-2.0	-95.36	345.27	5.67	-89.69
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000523951	1	39	-2.0	-90.49	361.87	5.19	-85.30
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2COC)C=C1C(=O)[O-]	REAL300000523952	1	42	-2.0	-111.88	373.71	5.83	-106.05
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000523953	0	35	-2.0	-100.96	334.26	4.74	-96.22
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000523954	0	35	-2.0	-90.03	337.61	5.41	-84.62
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000523955	0	35	-2.0	-92.24	329.07	4.89	-87.35
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000523956	0	32	-2.0	-94.31	316.83	3.98	-90.33
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000523957	0	35	-2.0	-95.34	330.96	4.92	-90.42
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000523958	0	38	-2.0	-103.39	350.30	5.55	-97.84
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000523959	0	35	-2.0	-91.81	330.02	4.92	-86.89
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000523960	1	35	-2.0	-90.14	337.04	5.25	-84.89
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000523961	0	38	-2.0	-97.02	354.01	6.05	-90.97
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000523962	0	43	-2.0	-88.97	388.29	6.26	-82.71
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000523963	0	35	-2.0	-94.48	335.38	4.94	-89.54
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000523964	0	37	-2.0	-89.66	352.74	5.52	-84.14
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000523965	0	36	-2.0	-103.14	334.28	2.55	-100.59
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000523966	1	38	-2.0	-96.82	346.74	5.63	-91.19
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000523967	1	35	-2.0	-95.92	345.26	5.38	-90.54
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000523968	1	38	-2.0	-100.60	334.59	5.48	-95.12
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000523969	1	38	-2.0	-103.02	349.39	5.50	-97.52
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000523970	1	38	-2.0	-92.76	339.97	5.63	-87.13
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000523971	1	41	-2.0	-107.00	358.02	5.93	-101.07
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000523972	0	37	-2.0	-102.56	351.11	5.94	-96.62
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000523973	0	35	-2.0	-93.77	336.29	4.98	-88.79
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000523974	1	41	-2.0	-105.67	358.10	6.26	-99.41
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000523975	0	38	-2.0	-103.57	349.88	5.55	-98.02
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000523976	0	38	-2.0	-102.27	356.34	5.99	-96.28
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000523977	0	38	-2.0	-110.36	349.61	5.54	-104.82
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2COC)C=C1C(=O)[O-]	REAL300000523978	1	41	-2.0	-107.22	358.88	6.04	-101.18
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000523979	1	42	-2.0	-106.51	375.03	4.97	-101.54
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000523980	0	38	-2.0	-94.61	350.82	6.04	-88.57
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000523981	1	38	-2.0	-101.82	355.77	5.81	-96.01
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2COC)C=C1C(=O)[O-]	REAL300000523982	0	39	-2.0	-103.81	352.50	5.06	-98.75
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000523983	1	47	-2.0	-105.58	389.70	7.72	-97.86
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000523984	1	38	-2.0	-97.58	354.42	5.82	-91.76
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000523985	1	38	-2.0	-92.51	340.56	5.40	-87.11
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000523986	0	40	-2.0	-96.13	367.81	7.04	-89.09
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000523987	1	38	-2.0	-102.17	344.10	5.68	-96.49
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000523988	0	37	-2.0	-112.35	348.29	6.70	-105.65
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000523989	0	35	-2.0	-109.56	328.20	4.88	-104.68
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000523990	0	38	-2.0	-96.04	345.73	5.42	-90.62
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000523991	0	41	-2.0	-113.64	365.60	6.97	-106.67
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000523992	0	34	-2.0	-102.17	320.76	2.96	-99.21
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000523993	0	39	-2.0	-96.51	352.76	4.65	-91.86
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000523994	0	32	-2.0	-92.33	324.66	3.82	-88.51
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000523995	1	42	-2.0	-99.11	370.68	6.74	-92.37
COCC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000523996	0	42	-2.0	-101.58	368.64	6.72	-94.86
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2COC)C=C(C(=O)[O-])O1	REAL300000523997	0	38	-2.0	-97.41	346.68	4.84	-92.57
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000523998	0	41	-2.0	-116.87	377.29	3.00	-113.87
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000523999	0	41	-2.0	-107.77	372.73	2.97	-104.80
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000524000	0	41	-2.0	-119.50	372.75	2.95	-116.55
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC(C)C)N=C1	REAL300000524001	0	45	-2.0	-125.92	400.88	2.77	-123.15
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000524002	0	45	-2.0	-107.58	404.20	4.26	-103.32
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000524003	0	44	-2.0	-121.94	392.83	3.60	-118.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)=C1C	REAL300000524004	0	47	-2.0	-123.21	405.13	4.28	-118.93
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000524005	0	41	-2.0	-117.63	378.24	3.02	-114.61
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000524006	0	47	-2.0	-106.98	416.32	4.55	-102.43
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000524007	0	38	-2.0	-113.92	365.94	1.99	-111.93
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC(C)C)N=C1	REAL300000524008	0	44	-2.0	-121.28	388.16	3.75	-117.53
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000524009	0	45	-2.0	-106.18	403.82	3.24	-102.94
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000524010	0	42	-2.0	-118.14	379.39	2.32	-115.82
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC(C)C)N=C1	REAL300000524011	0	45	-2.0	-121.54	396.96	1.78	-119.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)=C1	REAL300000524012	0	41	-2.0	-111.04	381.85	2.64	-108.40
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000524013	0	47	-2.0	-122.33	404.19	4.27	-118.06
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000524014	0	38	-2.0	-115.29	364.41	2.00	-113.29
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000524015	0	45	-2.0	-125.27	400.04	3.03	-122.24
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC(C)C)N=C1	REAL300000524016	0	47	-2.0	-119.79	402.90	4.67	-115.12
CC1=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000524017	0	41	-2.0	-114.13	375.76	2.11	-112.02
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)=C1	REAL300000524018	0	45	-2.0	-122.14	401.74	2.06	-120.08
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC(C)C)N=C1	REAL300000524019	0	44	-2.0	-111.74	393.44	3.78	-107.96
CC1=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300000524020	0	41	-2.0	-117.47	382.43	2.85	-114.62
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000524021	0	41	-2.0	-107.02	377.26	3.01	-104.01
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000524022	0	38	-2.0	-109.78	365.03	2.09	-107.69
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000524023	0	41	-2.0	-110.57	379.16	3.02	-107.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)=C1F	REAL300000524024	0	44	-2.0	-119.13	398.49	3.67	-115.46
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000524025	0	41	-2.0	-107.22	378.19	3.04	-104.18
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000524026	0	42	-2.0	-120.85	382.45	0.68	-120.17
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000524027	0	44	-2.0	-111.90	394.92	3.74	-108.16
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC(C)C)N=C1	REAL300000524028	0	44	-2.0	-116.65	382.80	3.59	-113.06
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)=CC(C(=O)[O-])=C1F	REAL300000524029	0	44	-2.0	-118.32	397.59	3.61	-114.71
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC(C)C)N=C1	REAL300000524030	0	44	-2.0	-107.94	388.15	3.74	-104.20
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)=CC(C(=O)[O-])=C1C	REAL300000524031	0	47	-2.0	-125.81	409.56	4.12	-121.69
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)C(C)=C1C(=O)[O-]	REAL300000524032	0	47	-2.0	-120.89	406.12	4.37	-116.52
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000524033	0	44	-2.0	-119.99	398.04	3.66	-116.33
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)=C1	REAL300000524034	0	44	-2.0	-125.31	397.77	3.66	-121.65
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000524035	0	47	-2.0	-121.29	406.69	4.14	-117.15
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000524036	0	45	-2.0	-119.33	400.76	3.19	-116.14
CC1=CC(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000524037	0	44	-2.0	-107.94	388.76	3.51	-104.43
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC(C)C)N=C1	REAL300000524038	0	44	-2.0	-118.48	392.71	3.77	-114.71
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000524039	0	41	-2.0	-124.60	376.39	2.99	-121.61
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)C=C1C(=O)[O-]	REAL300000524040	0	44	-2.0	-113.68	397.70	3.63	-110.05
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000524041	0	40	-2.0	-118.20	369.72	1.03	-117.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(=O)NC(C)C)N=C1	REAL300000524042	0	45	-2.0	-112.05	400.93	2.77	-109.28
CC(C)NC(=O)CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000524043	0	38	-2.0	-107.94	372.89	1.94	-106.00
CCC1=C(S(=O)(=O)[N-]C2=CN(CC(=O)NC(C)C)N=C2)C=C(C(=O)[O-])O1	REAL300000524044	0	44	-2.0	-114.10	394.88	2.96	-111.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)=CC=C1F	REAL300000524045	0	42	-2.0	-111.25	383.79	4.69	-106.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)C=C1	REAL300000524046	0	42	-2.0	-102.07	379.25	4.67	-97.40
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)=C1	REAL300000524047	0	42	-2.0	-113.65	379.26	4.66	-108.99
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)C=C1C(=O)[O-]	REAL300000524048	0	45	-2.0	-116.13	395.27	5.19	-110.94
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)=C1	REAL300000524049	0	42	-2.0	-110.94	384.74	4.73	-106.21
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)=C1	REAL300000524050	0	39	-2.0	-108.17	372.45	3.70	-104.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCN2CCCC2=O)N=C1	REAL300000524051	0	45	-2.0	-114.37	394.69	5.45	-108.92
CN1C=C(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)C=C1C(=O)[O-]	REAL300000524052	0	43	-2.0	-112.40	385.91	4.03	-108.37
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)=C1	REAL300000524053	0	42	-2.0	-105.14	388.37	4.34	-100.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)=CS1	REAL300000524054	0	39	-2.0	-109.55	370.92	3.71	-105.84
CC1=C(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)C=C(C(=O)[O-])O1	REAL300000524055	0	42	-2.0	-107.93	382.27	3.81	-104.12
CC1=C(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)C=C(C(=O)[O-])S1	REAL300000524056	0	42	-2.0	-110.95	388.95	4.55	-106.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)C=C1F	REAL300000524057	0	42	-2.0	-101.51	383.78	4.70	-96.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)S1	REAL300000524058	0	39	-2.0	-103.91	371.54	3.80	-100.11
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)=C1	REAL300000524059	0	42	-2.0	-104.80	385.66	4.72	-100.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)C(F)=C1	REAL300000524060	0	42	-2.0	-101.56	384.72	4.74	-96.82
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)=C1	REAL300000524061	0	43	-2.0	-113.55	388.97	2.39	-111.16
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)C=C1	REAL300000524062	0	45	-2.0	-105.29	401.43	5.45	-99.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CCN2CCCC2=O)N=C1	REAL300000524063	0	45	-2.0	-111.35	389.33	5.28	-106.07
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CCN2CCCC2=O)N=C1	REAL300000524064	0	45	-2.0	-102.17	394.67	5.44	-96.73
CCN1C=C(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)C=C1C(=O)[O-]	REAL300000524065	0	46	-2.0	-113.60	407.28	4.89	-108.71
CC1=CC(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)=CC=C1C(=O)[O-]	REAL300000524066	0	45	-2.0	-102.18	395.26	5.22	-96.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)=C1F	REAL300000524067	0	42	-2.0	-119.29	382.92	4.70	-114.59
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)=C1	REAL300000524068	0	41	-2.0	-111.33	375.48	2.79	-108.54
CCC1=C(S(=O)(=O)[N-]C2=CN(CCN3CCCC3=O)N=C2)C=C(C(=O)[O-])O1	REAL300000524069	0	45	-2.0	-107.75	401.39	4.66	-103.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=CC=C1F	REAL300000524070	0	31	-2.0	-109.82	313.59	4.31	-105.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1	REAL300000524071	0	31	-2.0	-99.84	309.05	4.28	-95.56
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1	REAL300000524072	0	31	-2.0	-112.47	309.06	4.28	-108.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CNN=C21	REAL300000524073	0	35	-2.0	-117.37	337.20	4.08	-113.29
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1	REAL300000524074	0	35	-2.0	-99.06	340.52	5.57	-93.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1C(=O)[O-]	REAL300000524075	0	34	-2.0	-113.69	325.08	4.81	-108.88
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1	REAL300000524076	0	31	-2.0	-107.57	322.14	4.83	-102.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=CC=C1Cl	REAL300000524077	0	31	-2.0	-108.19	321.57	4.67	-103.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1C	REAL300000524078	0	37	-2.0	-114.48	342.17	5.61	-108.87
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1	REAL300000524079	0	31	-2.0	-109.49	314.53	4.33	-105.16
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1	REAL300000524080	0	37	-2.0	-98.27	352.63	5.86	-92.41
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1	REAL300000524081	0	28	-2.0	-106.69	302.25	3.29	-103.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CNN=C21	REAL300000524082	0	34	-2.0	-112.64	324.49	5.06	-107.58
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1	REAL300000524083	0	35	-2.0	-97.72	340.14	4.56	-93.16
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1C(=O)[O-]	REAL300000524084	0	32	-2.0	-110.74	315.71	3.63	-107.11
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CNN=C21	REAL300000524085	0	35	-2.0	-112.82	333.26	3.09	-109.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1	REAL300000524086	0	31	-2.0	-102.89	318.17	3.95	-98.94
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1C(=O)[O-]	REAL300000524087	0	37	-2.0	-113.81	340.51	5.60	-108.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=CS1	REAL300000524088	0	28	-2.0	-108.13	300.71	3.31	-104.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1C(=O)[O-]	REAL300000524089	0	35	-2.0	-118.27	336.34	4.35	-113.92
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CNN=C21	REAL300000524090	0	40	-2.0	-114.81	362.96	6.29	-108.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CNN=C21	REAL300000524091	0	37	-2.0	-110.55	339.18	5.99	-104.56
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CNN=C21	REAL300000524092	0	38	-2.0	-118.27	359.49	4.84	-113.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=CC(C(=O)[O-])=C1	REAL300000524093	0	33	-3.0	-189.03	337.47	4.83	-184.20
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(Cl)C3=CNN=C32)=CC(C(=O)[O-])=C1	REAL300000524093	1	34	-2.0	-112.23	337.88	4.74	-107.49
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1	REAL300000524094	0	38	-2.0	-117.02	353.31	6.18	-110.84
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C(C(=O)[O-])O1	REAL300000524095	0	31	-2.0	-105.82	312.07	3.41	-102.41
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1	REAL300000524096	0	35	-2.0	-113.90	337.98	3.36	-110.54
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=CC=C1OCC(=O)[O-]	REAL300000524097	0	38	-2.0	-98.24	360.22	5.26	-92.98
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CNN=C21	REAL300000524098	0	34	-2.0	-103.28	329.76	5.09	-98.19
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1F	REAL300000524099	0	35	-2.0	-97.15	346.35	4.63	-92.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1C(=O)[O-]	REAL300000524100	0	38	-2.0	-118.82	358.19	5.26	-113.56
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C(C(=O)[O-])S1	REAL300000524101	0	31	-2.0	-109.14	317.68	4.17	-104.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C(Cl)=C1	REAL300000524102	0	31	-2.0	-97.24	322.11	4.84	-92.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1F	REAL300000524103	0	31	-2.0	-99.24	313.57	4.32	-94.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)S1	REAL300000524104	0	28	-2.0	-101.54	301.32	3.41	-98.13
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1	REAL300000524105	0	31	-2.0	-103.28	315.48	4.34	-98.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1F	REAL300000524106	0	34	-2.0	-110.95	334.82	4.97	-105.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C(F)=C1	REAL300000524107	0	31	-2.0	-99.45	314.52	4.35	-95.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1Cl	REAL300000524108	0	31	-2.0	-97.33	321.54	4.68	-92.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=CC(F)=C1F	REAL300000524109	0	31	-2.0	-101.28	319.88	4.37	-96.91
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1	REAL300000524110	0	33	-2.0	-97.36	337.25	4.95	-92.41
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1	REAL300000524111	0	32	-2.0	-111.34	318.77	1.98	-109.36
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1	REAL300000524112	0	34	-2.0	-103.11	331.24	5.06	-98.05
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CNN=C21	REAL300000524113	0	34	-2.0	-108.84	319.10	4.91	-103.93
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=CC(C(=O)[O-])=C1F	REAL300000524114	0	34	-2.0	-111.19	333.90	4.92	-106.27
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CNN=C21	REAL300000524115	0	34	-2.0	-99.70	324.47	5.05	-94.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=CC(C(=O)[O-])=C1C	REAL300000524116	0	37	-2.0	-115.66	341.96	5.34	-110.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=CC=C1[N+](=O)[O-]	REAL300000524117	0	33	-2.0	-110.54	335.62	5.37	-105.17
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1	REAL300000524118	0	31	-2.0	-101.22	320.79	4.40	-96.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C(C)=C1C(=O)[O-]	REAL300000524119	0	37	-2.0	-113.09	343.54	5.67	-107.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1C(=O)[O-]	REAL300000524120	0	34	-2.0	-111.73	334.37	4.97	-106.76
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1	REAL300000524121	0	34	-2.0	-117.84	334.07	4.96	-112.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1C(=O)[O-]	REAL300000524122	0	37	-2.0	-114.31	343.38	5.46	-108.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1CC(=O)[O-]	REAL300000524123	0	38	-2.0	-115.11	359.52	4.40	-110.71
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1C(=O)[O-]	REAL300000524124	0	35	-2.0	-112.02	337.08	4.49	-107.53
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=CC=C1C(=O)[O-]	REAL300000524125	0	34	-2.0	-101.51	329.11	4.93	-96.58
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CNN=C21	REAL300000524126	0	34	-2.0	-109.85	329.01	5.09	-104.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1[N+](=O)[O-]	REAL300000524127	0	33	-2.0	-120.29	332.80	6.12	-114.17
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1F	REAL300000524128	0	31	-2.0	-117.02	312.70	4.30	-112.72
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C1C(=O)[O-]	REAL300000524129	0	34	-2.0	-105.09	334.02	4.95	-100.14
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C1	REAL300000524130	0	30	-2.0	-110.27	305.27	2.39	-107.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C2=CNN=C21	REAL300000524131	0	35	-2.0	-103.91	337.26	4.08	-99.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)=C(Cl)O1	REAL300000524132	0	28	-2.0	-99.82	309.16	3.26	-96.56
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C4=CNN=C43)C=C2)CC1	REAL300000524133	0	38	-2.0	-106.21	355.19	6.16	-100.05
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C4=CNN=C43)C=C2C1	REAL300000524134	0	38	-2.0	-109.53	353.15	6.14	-103.39
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C3=CNN=C32)C=C(C(=O)[O-])O1	REAL300000524135	0	34	-2.0	-105.44	331.19	4.27	-101.17
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(Cl)C3=CNN=C3C=C2)=C1	REAL300000524145	1	31	-2.0	-104.95	312.93	4.35	-100.60
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(Cl)C3=CNN=C3C=C2)=C1	REAL300000524147	1	28	-2.0	-102.40	300.65	3.31	-99.09
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(Cl)C3=CNN=C3C=C2)=C1	REAL300000524152	1	31	-2.0	-98.66	316.60	3.96	-94.70
O=C([O-])C1=CC(S(=O)(=O)NC2=C(Cl)C3=CNN=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000524159	0	34	-2.0	-111.97	334.90	4.75	-107.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(Cl)C3=CNN=C3C=C2)S1	REAL300000524170	1	28	-2.0	-97.40	299.72	3.40	-94.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(Cl)C3=CNN=C3C=C2)=C1F	REAL300000524172	1	34	-2.0	-106.36	333.22	4.99	-101.37
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(Cl)C3=CNN=C3C=C2)=C1	REAL300000524177	0	32	-2.0	-106.37	311.70	2.83	-103.54
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(Cl)C3=CNN=C3C=C2)=C1	REAL300000524184	1	31	-2.0	-96.89	319.20	4.41	-92.48
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(Cl)C3=CNN=C3C=C2)C=C1C(=O)[O-]	REAL300000524186	1	34	-2.0	-106.01	328.94	4.88	-101.13
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(Cl)C3=CNN=C3C=C2)=C1	REAL300000524187	1	34	-2.0	-112.50	332.50	4.97	-107.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(Cl)C3=CNN=C3C=C2)=C1[N+](=O)[O-]	REAL300000524193	1	33	-2.0	-114.73	331.19	6.14	-108.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(Cl)C3=CNN=C3C=C2)=C1F	REAL300000524194	1	31	-2.0	-111.69	311.10	4.31	-107.38
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(Cl)C3=CNN=C3C=C2)=C1	REAL300000524196	0	30	-2.0	-105.49	303.68	2.42	-103.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(Cl)C3=CNN=C3C=C2)=C(Cl)O1	REAL300000524198	1	28	-2.0	-96.10	307.57	3.27	-92.83
CN(C1=CC2=CC=CN=C2C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000524226	0	39	-2.0	-112.66	358.13	7.23	-105.43
CN(C1=CC2=CC=CN=C2C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000524246	0	37	-2.0	-111.75	329.63	5.43	-106.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)=CC=C1F	REAL300000524278	0	41	-2.0	-119.05	357.81	8.23	-110.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C=C1	REAL300000524279	0	41	-2.0	-111.04	353.16	8.21	-102.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)=C1	REAL300000524280	0	41	-2.0	-127.28	353.09	8.15	-119.13
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C=C1	REAL300000524281	0	45	-2.0	-108.94	384.63	9.49	-99.45
CC1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C=C1C(=O)[O-]	REAL300000524282	0	44	-2.0	-123.91	369.06	8.73	-115.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)=C1C	REAL300000524283	0	47	-2.0	-121.89	381.61	9.49	-112.40
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)=C1	REAL300000524284	0	41	-2.0	-119.42	358.69	8.26	-111.16
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C=C1	REAL300000524285	0	47	-2.0	-107.86	396.74	9.79	-98.07
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)=C1	REAL300000524286	0	38	-2.0	-117.21	346.38	7.22	-109.99
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCC2=CC2=C1C(=O)CC2	REAL300000524287	0	44	-2.0	-125.61	368.61	8.98	-116.63
CN1C=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C=C1C(=O)[O-]	REAL300000524288	0	42	-2.0	-125.09	359.91	7.55	-117.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)=C1	REAL300000524289	0	41	-2.0	-114.30	362.16	7.83	-106.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C=C1C(=O)[O-]	REAL300000524290	1	47	-2.0	-120.95	379.84	9.47	-111.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)=CS1	REAL300000524291	0	38	-2.0	-122.33	344.92	7.24	-115.09
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2CCCC2=CC2=C1C(=O)CC2	REAL300000524292	0	47	-2.0	-120.61	378.28	9.70	-110.91
CC1=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C=C(C(=O)[O-])O1	REAL300000524293	0	41	-2.0	-113.88	356.65	7.37	-106.51
CC1=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C=C(C(=O)[O-])S1	REAL300000524294	0	41	-2.0	-116.48	359.42	8.09	-108.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C=C1F	REAL300000524295	0	41	-2.0	-110.75	357.79	8.24	-102.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)S1	REAL300000524296	0	38	-2.0	-112.65	345.45	7.32	-105.33
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)=C1	REAL300000524297	0	41	-2.0	-117.43	359.57	8.27	-109.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C(F)=C1	REAL300000524298	0	41	-2.0	-110.65	358.62	8.27	-102.38
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)=C1	REAL300000524299	0	42	-2.0	-118.14	360.30	6.14	-112.00
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C3CCCC3=CC3=C2C(=O)CC3)=C1	REAL300000524299	1	42	-2.0	-117.94	357.03	7.59	-110.35
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C=C1	REAL300000524300	0	44	-2.0	-113.67	375.34	8.98	-104.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C2CCCC2=CC2=C1C(=O)CC2	REAL300000524301	0	44	-2.0	-122.30	359.87	8.79	-113.51
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2CCCC2=CC2=C1C(=O)CC2	REAL300000524302	1	44	-2.0	-110.93	368.56	8.97	-101.96
CC1=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)=CC(C(=O)[O-])=C1C	REAL300000524303	0	47	-2.0	-127.99	390.31	9.38	-118.61
CC1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C(C)=C1C(=O)[O-]	REAL300000524304	1	47	-2.0	-126.72	385.66	9.58	-117.14
CCC1=CC=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C=C1C(=O)[O-]	REAL300000524305	0	47	-2.0	-124.85	387.86	9.38	-115.47
CCN1C=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C=C1C(=O)[O-]	REAL300000524306	0	45	-2.0	-126.63	381.28	8.41	-118.22
CC1=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)=CC=C1C(=O)[O-]	REAL300000524307	0	44	-2.0	-111.54	369.04	8.77	-102.77
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)=C1F	REAL300000524308	0	41	-2.0	-132.86	356.84	8.24	-124.62
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)=C1	REAL300000524309	0	40	-2.0	-119.55	350.17	6.26	-113.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)=C(Cl)O1	REAL300000524310	0	38	-2.0	-109.13	353.30	7.20	-101.93
CCC1=C(S(=O)(=O)[N-]C2=C3CCCC3=CC3=C2C(=O)CC3)C=C(C(=O)[O-])O1	REAL300000524311	0	44	-2.0	-118.21	375.19	8.14	-110.07
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C1	REAL300000524312	1	36	-2.0	-86.76	341.08	1.02	-85.74
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=C(F)C=C1F	REAL300000524314	1	37	-2.0	-104.78	344.25	3.52	-101.26
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1	REAL300000524316	1	29	-2.0	-106.30	284.63	2.43	-103.87
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=C(F)C=C1F	REAL300000524317	1	33	-2.0	-111.70	312.77	2.23	-109.47
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1	REAL300000524320	1	29	-2.0	-100.94	297.70	3.00	-97.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=CC=C1Cl	REAL300000524321	1	29	-2.0	-100.45	297.14	2.82	-97.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C(Cl)C=C1Cl	REAL300000524322	1	29	-2.0	-97.72	310.19	3.38	-94.34
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1	REAL300000524324	0	29	-2.0	-102.60	290.11	2.49	-100.11
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C1	REAL300000524325	1	35	-2.0	-92.13	328.19	4.02	-88.11
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1	REAL300000524326	0	26	-2.0	-100.45	277.81	1.46	-98.99
CN1C=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000524329	1	30	-2.0	-104.28	291.28	1.78	-102.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1	REAL300000524331	0	29	-2.0	-95.67	293.74	2.12	-93.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=CS1	REAL300000524333	1	26	-2.0	-100.46	276.28	1.47	-98.99
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=C(F)C=C1F	REAL300000524339	1	36	-2.0	-111.34	335.06	3.00	-108.34
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C(O)C=C(F)C=C2F)=C1	REAL300000524340	0	32	-2.0	-113.30	310.64	2.62	-110.68
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1	REAL300000524340	1	31	-3.0	-179.62	313.03	2.99	-176.63
CC1=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C(C(=O)[O-])O1	REAL300000524342	1	29	-2.0	-100.81	287.64	1.57	-99.24
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1	REAL300000524344	1	33	-2.0	-104.57	313.54	1.52	-103.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=CC(Cl)=C1Cl	REAL300000524346	1	29	-2.0	-95.86	312.31	3.28	-92.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C(Cl)C=C1F	REAL300000524347	1	29	-2.0	-98.97	302.21	3.03	-95.94
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=C(F)C=C1F	REAL300000524350	1	32	-2.0	-98.19	305.33	3.25	-94.94
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C1F	REAL300000524351	1	33	-2.0	-90.87	321.93	2.78	-88.09
CC1=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C(C(=O)[O-])S1	REAL300000524353	1	29	-2.0	-104.14	294.32	2.33	-101.81
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1	REAL300000524354	1	29	-2.0	-95.79	312.85	3.46	-92.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C(Cl)=C1	REAL300000524355	1	29	-2.0	-90.55	297.68	3.00	-87.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C1F	REAL300000524356	1	29	-2.0	-92.58	289.16	2.47	-90.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)S1	REAL300000524357	0	26	-2.0	-94.55	276.90	1.57	-92.98
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1	REAL300000524358	1	29	-2.0	-97.06	291.05	2.50	-94.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1F	REAL300000524359	0	32	-2.0	-104.68	310.40	3.13	-101.55
COC1=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C(Cl)C=C1C(=O)[O-]	REAL300000524360	1	33	-2.0	-95.08	324.93	3.06	-92.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C(F)=C1	REAL300000524361	1	29	-2.0	-92.15	290.09	2.51	-89.64
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=C(F)C=C1F	REAL300000524363	1	32	-2.0	-99.94	314.07	3.63	-96.31
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C1	REAL300000524364	1	37	-2.0	-89.55	348.36	3.84	-85.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=CC(F)=C1F	REAL300000524365	1	29	-2.0	-95.37	295.46	2.52	-92.85
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1	REAL300000524366	1	31	-2.0	-89.99	312.83	3.10	-86.89
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(O)C=C(F)C=C2F)=C1	REAL300000524367	0	30	-2.0	-107.12	286.15	0.30	-106.82
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C1	REAL300000524368	1	32	-2.0	-96.97	306.79	3.21	-93.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=CC(Cl)=C1F	REAL300000524369	1	29	-2.0	-96.83	305.34	2.96	-93.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=CC=C1[N+](=O)[O-]	REAL300000524374	1	31	-2.0	-102.79	311.18	3.53	-99.26
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1	REAL300000524375	0	29	-2.0	-94.96	296.38	2.56	-92.40
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000524377	1	32	-2.0	-105.54	309.94	3.13	-102.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1Cl	REAL300000524378	1	32	-2.0	-103.63	316.37	3.57	-100.06
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1	REAL300000524379	0	32	-2.0	-108.30	309.66	3.12	-105.18
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(O)C=C(F)C=C1F	REAL300000524382	1	32	-2.0	-93.93	310.89	3.62	-90.31
CC1=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=CC(C(=O)[O-])=C1Cl	REAL300000524384	1	32	-2.0	-102.05	315.85	3.40	-98.65
CCN1C=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000524385	1	33	-2.0	-105.55	312.65	2.65	-102.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C(F)C(Cl)=C1F	REAL300000524387	0	29	-2.0	-93.87	310.23	2.99	-90.88
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C(C(=O)[O-])S1	REAL300000524389	1	38	-2.0	-104.09	334.07	4.56	-99.53
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000524390	1	33	-2.0	-107.51	324.95	3.07	-104.44
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C([N+](=O)[O-])=C1	REAL300000524392	0	34	-2.0	-96.99	327.90	4.60	-92.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1[N+](=O)[O-]	REAL300000524394	0	31	-2.0	-109.98	308.35	4.29	-105.69
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1F	REAL300000524395	0	29	-2.0	-107.66	288.29	2.46	-105.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C1C(=O)[O-]	REAL300000524396	1	32	-2.0	-96.33	305.80	3.00	-93.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=CC2=CC=CC=C21	REAL300000524397	1	35	-2.0	-112.51	325.67	4.56	-107.95
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C1	REAL300000524398	0	28	-2.0	-103.53	281.62	0.50	-103.03
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(O)C=C(F)C=C1F	REAL300000524399	1	33	-2.0	-97.26	312.83	2.23	-95.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)=C(Cl)O1	REAL300000524400	0	26	-2.0	-94.10	284.78	1.41	-92.69
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C(O)C=C(F)C=C3F)C=C2)CC1	REAL300000524401	1	36	-2.0	-100.29	330.75	4.32	-95.97
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C(O)C=C(F)C=C3F)C=C2C1	REAL300000524402	1	36	-2.0	-102.31	330.08	4.33	-97.98
CCC1=C(S(=O)(=O)[N-]C2=C(O)C=C(F)C=C2F)C=C(C(=O)[O-])O1	REAL300000524403	1	32	-2.0	-99.06	306.75	2.42	-96.64
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1	REAL300000524404	0	40	-2.0	-87.36	355.71	0.51	-86.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC=C1F	REAL300000524405	0	33	-2.0	-102.71	303.78	1.96	-100.75
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1CO	REAL300000524406	0	41	-2.0	-104.16	358.87	2.90	-101.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1	REAL300000524407	0	33	-2.0	-93.94	299.23	1.93	-92.01
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524408	0	33	-2.0	-107.14	299.25	1.92	-105.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1CO	REAL300000524409	0	37	-2.0	-110.74	327.39	1.61	-109.13
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1	REAL300000524410	0	37	-2.0	-93.28	330.70	3.22	-90.06
CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1C(=O)[O-]	REAL300000524411	0	36	-2.0	-109.59	319.32	2.57	-107.02
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524412	0	33	-2.0	-102.70	312.32	2.49	-100.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC=C1Cl	REAL300000524413	0	33	-2.0	-101.08	311.75	2.32	-98.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C(Cl)C=C1Cl	REAL300000524414	0	33	-2.0	-96.79	324.80	2.86	-93.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1C	REAL300000524415	0	39	-2.0	-108.30	331.91	3.26	-105.04
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524416	0	33	-2.0	-104.09	304.72	1.99	-102.10
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1	REAL300000524417	0	39	-2.0	-92.70	342.81	3.51	-89.19
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524418	0	30	-2.0	-101.41	292.43	0.97	-100.44
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1CO	REAL300000524419	0	36	-2.0	-108.32	314.68	2.67	-105.65
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1	REAL300000524420	0	37	-2.0	-92.12	330.32	2.20	-89.92
CN1C=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1C(=O)[O-]	REAL300000524421	0	34	-2.0	-103.76	305.89	1.30	-102.46
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1CO	REAL300000524422	0	37	-2.0	-108.74	323.45	0.70	-108.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524423	0	33	-2.0	-97.23	308.38	1.64	-95.59
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1C(=O)[O-]	REAL300000524424	0	39	-2.0	-107.61	330.29	3.25	-104.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CS1	REAL300000524425	0	30	-2.0	-101.07	290.89	0.98	-100.09
COC1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC(C(=O)[O-])=C1OC	REAL300000524426	0	41	-2.0	-105.87	357.58	1.75	-104.12
COC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1C(=O)[O-]	REAL300000524427	0	37	-2.0	-110.97	326.53	1.99	-108.98
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524428	0	43	-2.0	-112.13	354.50	4.53	-107.60
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1CO	REAL300000524429	0	42	-2.0	-108.23	353.14	3.92	-104.31
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1CO	REAL300000524430	0	39	-2.0	-106.67	327.15	3.54	-103.13
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1CO	REAL300000524431	0	40	-2.0	-110.82	349.67	2.38	-108.44
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524432	0	35	-3.0	-181.50	327.65	2.50	-179.00
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C(O)C=CC=C2CO)=C1	REAL300000524432	1	36	-2.0	-107.53	334.65	1.73	-105.80
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524433	0	40	-2.0	-112.51	343.49	3.82	-108.69
CC1=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C(C(=O)[O-])O1	REAL300000524434	0	33	-2.0	-101.35	302.25	1.07	-100.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC2=C1OCCO2	REAL300000524435	0	39	-2.0	-110.32	341.41	1.71	-108.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524436	0	37	-2.0	-107.55	328.16	0.90	-106.65
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=C(O)C=CC=C3CO)C=C2C1	REAL300000524437	0	41	-2.0	-92.14	352.16	2.52	-89.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC(Cl)=C1Cl	REAL300000524438	0	33	-2.0	-95.19	326.92	2.78	-92.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C(Cl)C=C1F	REAL300000524439	0	33	-2.0	-99.62	316.84	2.49	-97.13
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1Cl	REAL300000524440	0	37	-2.0	-90.91	346.34	2.74	-88.17
CC1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC=C1OCC(=O)[O-]	REAL300000524441	0	40	-2.0	-92.69	350.40	2.91	-89.78
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1F	REAL300000524442	0	43	-2.0	-91.65	378.99	3.17	-88.48
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1CO	REAL300000524443	0	36	-2.0	-97.12	319.95	2.70	-94.42
CC1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC=C1OCCCC(=O)[O-]	REAL300000524444	0	46	-2.0	-92.62	392.84	3.84	-88.78
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1F	REAL300000524445	0	37	-2.0	-91.96	336.54	2.26	-89.70
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1C(=O)[O-]	REAL300000524446	0	40	-2.0	-113.92	348.38	2.90	-111.02
CC1=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C(C(=O)[O-])S1	REAL300000524447	0	33	-2.0	-102.75	308.94	1.82	-100.93
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524448	0	33	-2.0	-95.08	327.47	2.94	-92.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C(Cl)=C1	REAL300000524449	0	33	-2.0	-91.53	312.29	2.48	-89.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1F	REAL300000524450	0	33	-2.0	-93.72	303.78	1.97	-91.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)S1	REAL300000524451	0	30	-2.0	-95.39	291.52	1.09	-94.30
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524452	0	33	-2.0	-96.43	305.66	1.99	-94.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1F	REAL300000524453	0	36	-2.0	-104.31	325.01	2.63	-101.68
COC1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C(Cl)C=C1C(=O)[O-]	REAL300000524454	0	37	-2.0	-96.01	339.55	2.52	-93.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C(F)=C1	REAL300000524455	0	33	-2.0	-93.64	304.71	2.00	-91.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1Cl	REAL300000524456	0	33	-2.0	-91.67	311.75	2.33	-89.34
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1CO	REAL300000524457	0	36	-2.0	-98.77	328.69	3.09	-95.68
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1	REAL300000524458	0	41	-2.0	-90.29	362.99	3.34	-86.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC(F)=C1F	REAL300000524459	0	33	-2.0	-94.76	310.06	2.02	-92.74
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524460	0	35	-2.0	-92.09	327.44	2.59	-89.50
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524461	0	34	-2.0	-105.39	308.96	-0.47	-105.86
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1	REAL300000524462	0	36	-2.0	-97.63	321.41	2.70	-94.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC(Cl)=C1F	REAL300000524463	0	33	-2.0	-96.11	319.95	2.46	-93.65
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1CO	REAL300000524464	0	36	-2.0	-101.32	309.28	2.53	-98.79
CC1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC(C(=O)[O-])=C1F	REAL300000524465	0	36	-2.0	-106.23	324.08	2.58	-103.65
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1CO	REAL300000524466	0	36	-2.0	-94.09	314.65	2.66	-91.43
CC1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC(C(=O)[O-])=C1C	REAL300000524467	0	39	-2.0	-109.50	336.74	3.12	-106.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC=C1[N+](=O)[O-]	REAL300000524468	0	35	-2.0	-105.71	325.80	3.01	-102.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524469	0	33	-2.0	-94.85	311.00	2.05	-92.80
CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C(C)=C1C(=O)[O-]	REAL300000524470	0	39	-2.0	-107.00	332.64	3.33	-103.67
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1C(=O)[O-]	REAL300000524471	0	36	-2.0	-105.16	324.56	2.62	-102.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1Cl	REAL300000524472	0	36	-2.0	-102.77	330.99	3.06	-99.71
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524473	0	36	-2.0	-111.74	324.28	2.62	-109.12
CCC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1C(=O)[O-]	REAL300000524474	0	39	-2.0	-106.84	333.49	3.11	-103.73
COC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1CC(=O)[O-]	REAL300000524475	0	40	-2.0	-108.81	349.71	2.05	-106.76
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1CO	REAL300000524476	0	36	-2.0	-96.05	325.51	3.10	-92.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1C(F)(F)F	REAL300000524477	0	36	-2.0	-90.75	329.37	2.73	-88.02
CC1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC(C(=O)[O-])=C1Cl	REAL300000524478	0	36	-2.0	-104.95	330.46	2.88	-102.07
CCN1C=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1C(=O)[O-]	REAL300000524479	0	37	-2.0	-106.73	327.26	2.18	-104.55
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C(C)=C1CC(=O)[O-]	REAL300000524480	0	45	-2.0	-106.43	364.39	4.69	-101.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C(F)C(Cl)=C1F	REAL300000524481	0	33	-2.0	-93.74	324.85	2.48	-91.26
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1C(=O)[O-]	REAL300000524482	0	36	-2.0	-99.95	332.99	3.00	-96.95
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C(C(=O)[O-])S1	REAL300000524483	0	42	-2.0	-102.00	348.69	3.97	-98.03
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1C(=O)[O-]	REAL300000524484	0	37	-2.0	-106.58	339.56	2.55	-104.03
CC1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC=C1C(=O)[O-]	REAL300000524485	0	36	-2.0	-94.04	315.25	2.47	-91.57
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C([N+](=O)[O-])=C1	REAL300000524486	0	38	-2.0	-97.39	342.50	3.93	-93.46
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1CO	REAL300000524487	0	36	-2.0	-105.83	319.19	2.70	-103.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1[N+](=O)[O-]	REAL300000524488	0	35	-2.0	-113.73	322.97	3.64	-110.09
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1F	REAL300000524489	0	33	-2.0	-110.85	302.91	1.95	-108.90
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C1C(=O)[O-]	REAL300000524490	0	36	-2.0	-98.29	324.19	2.60	-95.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=CC2=CC=CC=C21	REAL300000524491	0	39	-2.0	-115.60	340.28	4.05	-111.55
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C1	REAL300000524492	0	32	-2.0	-103.30	296.23	0.02	-103.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(O)C=CC=C1CO	REAL300000524493	0	37	-2.0	-98.12	327.45	1.61	-96.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)=C(Cl)O1	REAL300000524494	0	30	-2.0	-94.91	299.39	0.92	-93.99
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C(O)C=CC=C3CO)C=C2)CC1	REAL300000524495	0	40	-2.0	-99.99	345.37	3.81	-96.18
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C(O)C=CC=C3CO)C=C2C1	REAL300000524496	0	40	-2.0	-102.71	344.69	3.81	-98.90
CCC1=C(S(=O)(=O)[N-]C2=C(O)C=CC=C2CO)C=C(C(=O)[O-])O1	REAL300000524497	0	36	-2.0	-99.85	321.30	1.92	-97.93
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524498	0	39	-2.0	-119.47	356.19	6.01	-113.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)C2=NC=CC=C12	REAL300000524499	0	38	-2.0	-114.68	337.33	5.21	-109.47
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3CC2)C2=NC=CC=C12	REAL300000524500	1	41	-2.0	-116.83	355.89	7.76	-109.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C2=NC=CC=C12	REAL300000524501	0	33	-2.0	-123.99	309.91	5.63	-118.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C2=NC=CC=C12	REAL300000524502	0	35	-3.0	-167.53	334.87	5.06	-162.47
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C2=NC=CC=C12	REAL300000524502	1	36	-2.0	-103.37	334.67	5.01	-98.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C2=NC=CC=C12	REAL300000524503	0	32	-2.0	-106.20	313.27	3.99	-102.21
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524504	0	34	-2.0	-112.97	322.24	5.75	-107.22
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C1	REAL300000524505	0	34	-2.0	-108.65	322.22	5.75	-102.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C2=NC=CC=C12	REAL300000524506	0	33	-2.0	-112.63	323.63	5.93	-106.70
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524507	0	34	-2.0	-123.97	319.50	5.64	-118.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=CC=C1F	REAL300000524508	0	35	-3.0	-179.91	334.40	5.95	-173.96
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=CC=CN=C23)=CC=C1F	REAL300000524508	1	36	-2.0	-122.32	334.17	5.90	-116.42
CC1=C(C)C(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C(C)=C1C	REAL300000524509	0	48	-2.0	-119.69	378.41	8.55	-111.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C1[N+](=O)[O-]	REAL300000524510	0	38	-2.0	-114.08	345.71	6.55	-107.53
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524511	0	36	-2.0	-110.48	317.65	3.19	-107.29
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C2=NC=CC=C12	REAL300000524512	0	36	-2.0	-107.99	340.16	6.36	-101.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)C2=NC=CC=C12	REAL300000524513	0	43	-2.0	-118.03	364.12	7.84	-110.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C1	REAL300000524514	0	35	-3.0	-168.19	329.87	5.92	-162.27
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CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C1C	REAL300000524612	0	43	-2.0	-114.71	372.84	6.32	-108.39
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CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524621	0	35	-3.0	-171.36	338.98	5.60	-165.76
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C1Cl	REAL300000524625	0	36	-2.0	-113.40	336.88	6.46	-106.94
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C1F	REAL300000524627	0	36	-2.0	-113.24	328.13	6.06	-107.18
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524628	0	36	-2.0	-109.70	333.61	6.64	-103.06
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524629	0	36	-2.0	-120.84	328.32	6.07	-114.77
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524630	0	36	-2.0	-112.98	323.29	6.19	-106.79
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CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524634	0	41	-2.0	-132.60	362.68	6.65	-125.95
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CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C2=CC=CN=C2C=C1	REAL300000524636	0	41	-2.0	-116.88	351.42	6.75	-110.13
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COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C(C)=C1	REAL300000524639	0	40	-2.0	-114.10	346.36	5.43	-108.67
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C1C	REAL300000524640	0	43	-2.0	-115.15	366.43	6.16	-108.99
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524641	0	37	-2.0	-118.97	332.59	3.72	-115.25
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CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C(C(=O)[O-])O1	REAL300000524646	0	35	-3.0	-174.29	332.88	5.06	-169.23
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CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524648	0	43	-2.0	-125.20	372.93	6.73	-118.47
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COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524653	0	36	-2.0	-114.32	349.45	5.02	-109.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C2=NC=CC=C12	REAL300000524654	0	38	-2.0	-117.28	337.57	5.79	-111.49
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CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524656	0	33	-2.0	-123.34	305.42	4.45	-118.89
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C(C)=C1	REAL300000524657	0	43	-2.0	-113.72	368.21	6.36	-107.36
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=CC=CN=C34)C=C12	REAL300000524658	0	41	-2.0	-109.77	367.72	5.08	-104.69
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=CC=CN=C34)C=C12	REAL300000524659	0	37	-2.0	-105.56	341.16	2.32	-103.24
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COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C(F)=C1	REAL300000524662	0	37	-2.0	-118.94	339.40	4.94	-114.00
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CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=CN1C	REAL300000524664	0	36	-2.0	-125.43	325.95	4.27	-121.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C2=NC=CC=C12	REAL300000524665	0	37	-2.0	-118.35	339.42	5.41	-112.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=N1	REAL300000524666	0	36	-2.0	-112.73	327.49	3.92	-108.81
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524667	0	40	-2.0	-118.22	356.47	5.07	-113.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C2=NC=CC=C12	REAL300000524668	0	38	-2.0	-114.33	337.39	4.65	-109.68
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C2=NC=CC=C12	REAL300000524669	0	33	-2.0	-112.48	320.94	5.97	-106.51
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CC1CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=CC=CN=C34)=CC=C2O1	REAL300000524671	0	41	-2.0	-114.81	358.32	5.95	-108.86
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CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524673	0	33	-2.0	-110.53	301.79	2.39	-108.14
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524674	0	37	-2.0	-118.16	330.90	4.65	-113.51
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524675	0	36	-2.0	-116.48	316.89	6.13	-110.35
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=N1	REAL300000524676	0	33	-2.0	-121.05	306.25	2.90	-118.15
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524677	0	33	-2.0	-107.13	301.64	2.98	-104.15
COCCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524678	0	33	-2.0	-109.43	298.31	2.16	-107.27
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O=C([O-])C1=CC=C([N-]S(=O)(=O)CC2CCCCO2)C2=NC=CC=C12	REAL300000524680	0	40	-2.0	-117.52	338.28	4.64	-112.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C(F)=C1	REAL300000524683	0	36	-2.0	-120.20	328.31	6.08	-114.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=CC=C1F	REAL300000524684	0	36	-2.0	-109.41	328.13	6.05	-103.36
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COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)O1	REAL300000524686	0	36	-2.0	-108.95	340.95	4.14	-104.81
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CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C(C(=O)[O-])S1	REAL300000524689	0	35	-3.0	-179.32	338.49	5.82	-173.50
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524690	0	37	-2.0	-117.97	344.01	5.22	-112.75
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=CN=C1Cl	REAL300000524691	0	35	-2.0	-106.90	332.05	4.57	-102.33
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524692	0	39	-2.0	-124.57	360.47	2.90	-121.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C(C)=C1C	REAL300000524693	0	43	-2.0	-115.06	362.74	6.06	-109.00
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524695	0	45	-2.0	-114.23	379.51	6.00	-108.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)SC=C1	REAL300000524696	0	33	-2.0	-115.64	309.63	5.18	-110.46
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1C	REAL300000524697	0	42	-2.0	-114.07	360.84	5.30	-108.77
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=CC=C1[N+](=O)[O-]	REAL300000524698	0	38	-2.0	-104.72	345.63	6.53	-98.19
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CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C([N+](=O)[O-])=N1	REAL300000524774	0	38	-2.0	-120.18	351.72	6.19	-113.99
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CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C1C(=O)[O-]	REAL300000524803	0	39	-3.0	-182.18	357.89	6.13	-176.05
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COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524808	0	38	-2.0	-114.65	350.44	5.55	-109.10
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)S1	REAL300000524809	0	35	-2.0	-111.26	331.42	3.93	-107.33
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CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524823	0	33	-2.0	-108.93	330.40	5.57	-103.36
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CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524826	0	37	-2.0	-123.01	337.49	6.41	-116.60
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524827	0	42	-2.0	-119.40	355.40	7.37	-112.03
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=CC=C1F	REAL300000524828	0	37	-2.0	-108.50	337.12	4.73	-103.77
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CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=CC=CN=C34)=CN=C21	REAL300000524832	0	38	-2.0	-110.01	345.76	4.48	-105.53
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CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524837	0	39	-2.0	-114.96	331.62	7.07	-107.89
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524838	0	41	-2.0	-130.02	355.38	5.86	-124.16
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CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524840	0	36	-2.0	-119.70	320.31	6.30	-113.40
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CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=CC=CN=C34)C=CC=C12	REAL300000524842	0	41	-2.0	-132.28	359.29	6.54	-125.74
CC(C)(C#N)CCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524843	1	39	-2.0	-113.78	340.66	5.19	-108.59
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COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524845	0	36	-2.0	-112.20	325.98	2.82	-109.38
COCCOCCOCCS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524846	0	47	-2.0	-114.45	409.27	2.71	-111.74
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CCCC(CC)S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524848	1	41	-2.0	-115.85	340.85	6.12	-109.73
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CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)S1	REAL300000524851	1	35	-3.0	-175.40	343.05	1.72	-173.68
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CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524855	0	39	-2.0	-108.77	338.01	7.12	-101.65
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C(N)=NO1	REAL300000524856	0	34	-2.0	-105.22	308.94	2.73	-102.49
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524857	0	37	-2.0	-119.37	346.39	5.66	-113.71
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CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=NO1	REAL300000524860	0	44	-2.0	-116.63	382.67	6.13	-110.50
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524861	0	40	-2.0	-118.24	346.37	5.42	-112.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CCCCC2)C2=NC=CC=C12	REAL300000524862	1	37	-2.0	-114.73	316.73	5.65	-109.08
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=N1	REAL300000524864	0	35	-2.0	-112.88	318.00	4.18	-108.70
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CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=CC=C1C#N	REAL300000524866	0	37	-2.0	-108.31	341.39	6.24	-102.07
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COC(C)CS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524868	0	36	-2.0	-115.49	316.97	3.32	-112.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C(F)=C1	REAL300000524869	0	37	-2.0	-117.50	336.38	4.71	-112.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)C2=NC=CC=C12	REAL300000524870	0	39	-2.0	-114.99	347.10	5.88	-109.11
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CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)N(C)N=C1	REAL300000524873	0	36	-2.0	-107.97	318.28	3.82	-104.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)CCC2=CC=CC(Cl)=C2)C2=NC=CC=C12	REAL300000524874	0	39	-2.0	-112.40	362.78	7.41	-104.99
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)O1	REAL300000524875	0	31	-2.0	-106.91	305.33	3.89	-103.02
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C2=NC=CC=C12	REAL300000524876	0	30	-2.0	-112.26	292.52	4.27	-107.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC=C2)C2=NC=CC=C12	REAL300000524877	0	30	-2.0	-112.45	283.94	3.24	-109.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=CC=C1C(=O)[O-]	REAL300000524878	0	38	-3.0	-168.43	345.85	6.47	-161.96
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=CC=CN=C23)=CC=C1C(=O)[O-]	REAL300000524878	1	39	-2.0	-102.77	345.67	6.42	-96.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=N1	REAL300000524879	0	36	-2.0	-108.93	328.58	2.04	-106.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C2=NC=CC=C12	REAL300000524880	0	33	-2.0	-115.33	323.64	5.93	-109.40
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524881	0	44	-2.0	-116.64	379.53	6.46	-110.18
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CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=CC=CN=C34)=C2O1	REAL300000524883	0	44	-2.0	-128.49	379.12	6.58	-121.91
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CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000524885	0	40	-2.0	-118.21	352.75	5.58	-112.63
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CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000524887	0	39	-2.0	-140.68	345.80	2.95	-137.73
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=CC=CN=C34)C=C2C=C1	REAL300000524888	0	42	-2.0	-118.54	368.70	8.29	-110.25
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COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)S1	REAL300000525088	0	34	-2.0	-112.30	325.18	3.80	-108.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C2=NC=CC=C12	REAL300000525089	0	36	-2.0	-110.30	334.08	4.06	-106.24
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000525090	0	43	-2.0	-118.48	378.32	6.03	-112.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C2=NC=CC=C12	REAL300000525091	0	36	-2.0	-118.91	321.94	6.33	-112.58
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C2=NC=CC=C12	REAL300000525092	0	36	-2.0	-117.68	326.90	5.75	-111.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C2=NC=CC=C12	REAL300000525093	0	35	-2.0	-116.90	332.36	4.75	-112.15
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=N1	REAL300000525094	0	35	-2.0	-112.23	322.12	2.22	-110.01
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1Cl	REAL300000525095	0	36	-2.0	-110.40	343.06	4.29	-106.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C2=NC=CC=C12	REAL300000525096	0	30	-2.0	-108.58	301.16	3.97	-104.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C2=CC=CC=C12	REAL300000525097	0	42	-2.0	-125.45	360.17	8.21	-117.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)C2=NC=CC=C12	REAL300000525098	0	40	-2.0	-115.94	359.34	5.72	-110.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C2=NC=CC=C12	REAL300000525099	0	33	-2.0	-109.81	328.92	5.97	-103.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C=CC2=CC=C(F)C=C2)C2=NC=CC=C12	REAL300000525100	1	37	-2.0	-110.99	339.72	6.60	-104.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C2=NC=CC=C12	REAL300000525101	0	37	-2.0	-115.72	345.23	6.67	-109.05
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C1[N+](=O)[O-]	REAL300000525102	0	36	-2.0	-105.45	346.87	6.16	-99.29
COC1=CC=C(C=C(C)S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C1	REAL300000525103	1	44	-2.0	-114.24	379.04	6.46	-107.78
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000525104	0	33	-2.0	-113.96	305.99	4.02	-109.94
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=NN1	REAL300000525105	0	39	-2.0	-112.82	361.77	3.14	-109.68
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1OC	REAL300000525106	0	38	-2.0	-117.12	354.41	3.37	-113.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C2=NC=CC=C12	REAL300000525107	0	32	-2.0	-100.78	319.03	3.98	-96.80
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000525108	0	39	-2.0	-112.41	344.81	5.36	-107.05
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=CC=CN=C34)=CC=C21	REAL300000525109	0	40	-2.0	-122.41	355.12	7.12	-115.29
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1Cl	REAL300000525110	0	33	-2.0	-110.06	321.25	3.42	-106.64
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000525111	0	39	-2.0	-128.39	339.23	7.19	-121.20
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)OC=C1	REAL300000525112	0	31	-2.0	-115.64	305.56	3.81	-111.83
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000525113	0	35	-2.0	-106.32	329.14	4.74	-101.58
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000525114	0	44	-2.0	-118.96	385.04	6.98	-111.98
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C(C2CC2)=N1	REAL300000525115	0	43	-2.0	-116.22	378.21	6.15	-110.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C(=O)NC(=O)N1	REAL300000525116	0	36	-2.0	-117.34	324.47	1.08	-116.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C2=NC=CC=C12	REAL300000525118	0	30	-2.0	-111.56	300.17	3.87	-107.69
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C2=NC=CC=C12	REAL300000525119	0	30	-2.0	-109.19	310.21	4.87	-104.32
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000525120	0	41	-2.0	-109.38	353.71	3.09	-106.29
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C2=NC=CC=C12	REAL300000525121	0	40	-2.0	-120.25	344.96	7.51	-112.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C(C)=N1	REAL300000525123	0	39	-2.0	-108.71	344.25	2.79	-105.92
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000525124	0	39	-2.0	-119.69	348.82	3.17	-116.52
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000525125	0	36	-2.0	-113.53	344.12	3.02	-110.51
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C1C	REAL300000525126	0	39	-2.0	-109.71	348.72	2.77	-106.94
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=N1	REAL300000525127	0	42	-2.0	-112.96	368.82	5.46	-107.50
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000525128	0	42	-2.0	-113.73	366.85	5.03	-108.70
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=CO1	REAL300000525129	0	31	-2.0	-114.86	304.38	3.76	-111.10
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)SC=C1	REAL300000525130	0	31	-2.0	-118.37	310.89	4.73	-113.64
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000525131	0	39	-2.0	-108.69	343.13	4.61	-104.08
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000525132	0	36	-2.0	-121.58	343.27	7.16	-114.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C2=NC=CC=C12	REAL300000525133	0	40	-2.0	-108.42	353.61	5.49	-102.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C2=NC=CC=C12	REAL300000525134	0	40	-2.0	-114.22	353.34	6.57	-107.65
COC1=NOC(CS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000525135	0	36	-2.0	-111.59	332.48	1.68	-109.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=NN1C(C)C	REAL300000525136	0	42	-2.0	-114.36	365.89	5.09	-109.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C2=NC=CC=C12	REAL300000525137	0	35	-2.0	-110.25	328.75	4.38	-105.87
CC(C)C1CC(CS(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C1	REAL300000525138	1	45	-2.0	-114.85	371.40	7.02	-107.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C2=NC=CC=C12	REAL300000525139	0	34	-2.0	-116.35	312.42	2.50	-113.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C2=NC=CC=C12	REAL300000525140	0	36	-2.0	-125.19	341.07	6.34	-118.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C2=NC=CC=C12	REAL300000525141	0	29	-2.0	-105.94	287.05	2.95	-102.99
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C2=NC=CC=C12	REAL300000525142	0	37	-2.0	-125.46	349.29	4.63	-120.83
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=CC=CN=C12	REAL300000525143	0	38	-2.0	-123.56	342.20	4.95	-118.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C2=NC=CC=C12	REAL300000525144	0	41	-2.0	-132.84	359.13	6.53	-126.31
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C(C(=O)[O-])O1	REAL300000525145	0	38	-3.0	-174.31	351.99	5.91	-168.40
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)C=C(Cl)S1	REAL300000525146	0	33	-2.0	-108.88	326.65	5.76	-103.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C2=NC=CC=C12	REAL300000525147	0	29	-2.0	-110.41	287.99	2.47	-107.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C2=NC=CC=C12	REAL300000525148	0	40	-2.0	-115.48	347.13	4.68	-110.80
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=CC=CN=C23)=C1	REAL300000525149	0	36	-2.0	-120.84	328.32	6.07	-114.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=C2NN=C(Cl)C2=C1	REAL300000525153	1	35	-2.0	-110.47	339.31	4.08	-106.39
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(F)C=C3NN=C(Cl)C3=C2)=C1	REAL300000525157	1	31	-2.0	-102.32	316.63	4.35	-97.97
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(F)C=C3NN=C(Cl)C3=C2)=C1	REAL300000525159	0	28	-2.0	-99.35	304.36	3.32	-96.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(F)C=C3NN=C(Cl)C3=C2)=C1	REAL300000525164	1	31	-2.0	-95.74	320.28	3.98	-91.76
CC1=C(S(=O)(=O)[N-]C2=C(F)C=C3NN=C(Cl)C3=C2)C=C(C(=O)[O-])O1	REAL300000525169	1	31	-2.0	-99.48	314.18	3.42	-96.06
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(F)C=C3NN=C(Cl)C3=C2)=C1	REAL300000525170	1	35	-2.0	-105.93	340.09	3.38	-102.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=C3NN=C(Cl)C3=C2)S1	REAL300000525173	1	28	-2.0	-94.43	303.43	3.43	-91.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=C3NN=C(Cl)C3=C2)C(F)=C1	REAL300000525175	1	31	-2.0	-92.19	316.62	4.36	-87.83
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(F)C=C3NN=C(Cl)C3=C2)=C1	REAL300000525176	0	32	-2.0	-102.82	319.97	2.78	-100.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(F)C=C3NN=C(Cl)C3=C2)=C1F	REAL300000525185	1	31	-2.0	-108.70	314.80	4.31	-104.39
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(F)C=C3NN=C(Cl)C3=C2)=C1	REAL300000525186	0	30	-2.0	-102.71	307.38	2.42	-100.29
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(F)C=C2NN=C(Cl)C2=C1	REAL300000525187	1	35	-2.0	-97.02	339.36	4.09	-92.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=C3NN=C(Cl)C3=C2)=C(Cl)O1	REAL300000525188	0	28	-2.0	-93.21	311.27	3.28	-89.93
CCC1=C(S(=O)(=O)[N-]C2=C(F)C=C3NN=C(Cl)C3=C2)C=C(C(=O)[O-])O1	REAL300000525189	1	34	-2.0	-99.42	333.29	4.28	-95.14
O=C([O-])C1=CC=CC2=C1OCCN2S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000525195	0	36	-2.0	-97.86	324.58	6.01	-91.85
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=CC=C1F	REAL300000525202	0	36	-2.0	-111.07	324.12	6.89	-104.18
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1	REAL300000525209	0	36	-2.0	-102.63	320.27	6.95	-95.68
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525215	0	36	-2.0	-105.92	320.34	6.94	-98.98
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC2=C(C(=O)[O-])C=CC=C21	REAL300000525236	0	40	-2.0	-109.06	352.36	6.91	-102.15
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1	REAL300000525237	0	40	-2.0	-105.17	351.74	8.24	-96.93
CC1=CC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000525242	0	39	-2.0	-107.57	339.64	7.52	-100.05
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525253	0	36	-2.0	-101.88	331.52	7.48	-94.40
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=CC=C1Cl	REAL300000525254	0	36	-2.0	-107.74	332.09	7.25	-100.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1C	REAL300000525270	0	42	-2.0	-114.74	357.84	8.46	-106.28
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525273	0	36	-2.0	-102.06	329.66	7.16	-94.90
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1	REAL300000525278	0	42	-2.0	-102.25	363.88	8.54	-93.71
O=C([O-])C1=CSC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525285	0	33	-2.0	-102.11	313.87	5.95	-96.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC2=C(C(=O)[O-])C=CC=C21	REAL300000525288	0	39	-2.0	-109.03	329.59	7.38	-101.65
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1	REAL300000525301	0	40	-2.0	-103.05	351.37	7.23	-95.82
CN1C=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000525325	0	37	-2.0	-106.03	326.85	6.22	-99.81
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC2=C(C(=O)[O-])C=CC=C21	REAL300000525328	0	40	-2.0	-110.68	338.37	5.44	-105.24
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525345	0	36	-2.0	-102.76	331.19	6.71	-96.05
CC1=CC(C)=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000525348	0	42	-2.0	-109.35	346.33	8.12	-101.23
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=CS1	REAL300000525363	0	33	-2.0	-104.22	312.38	6.03	-98.19
COC1=CC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000525365	0	40	-2.0	-116.06	346.87	6.93	-109.13
CC1=CC=C([O-])C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525374	1	37	-2.0	-104.47	323.38	5.78	-98.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC2=C(C(=O)[O-])C=CC=C21	REAL300000525376	0	42	-2.0	-114.82	353.67	8.50	-106.32
CC1=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C(C(=O)[O-])O1	REAL300000525382	0	36	-2.0	-107.88	324.44	6.16	-101.72
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525390	0	40	-2.0	-108.48	349.62	6.03	-102.45
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC2=C(C(=O)[O-])C=CC=C21	REAL300000525407	0	39	-2.0	-106.31	346.19	7.95	-98.36
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)S1	REAL300000525424	1	39	-2.0	-97.85	350.60	3.55	-94.30
CC1=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C(C(=O)[O-])S1	REAL300000525438	0	36	-2.0	-107.61	325.12	6.50	-101.11
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C(Cl)=C1	REAL300000525479	0	36	-2.0	-101.19	331.22	7.45	-93.74
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1F	REAL300000525480	0	36	-2.0	-104.30	324.09	6.91	-97.39
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)S1	REAL300000525483	0	33	-2.0	-102.24	314.40	6.15	-96.09
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525485	0	36	-2.0	-99.58	326.74	7.01	-92.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1F	REAL300000525486	0	39	-2.0	-102.66	349.91	7.80	-94.86
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C(F)=C1	REAL300000525488	0	36	-2.0	-101.83	329.67	7.17	-94.66
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1Cl	REAL300000525489	0	36	-2.0	-100.94	332.06	7.27	-93.67
CC(=O)NC1=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=CC=C1[O-]	REAL300000525497	1	41	-2.0	-101.48	353.78	3.22	-98.26
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=CC(F)=C1F	REAL300000525505	0	36	-2.0	-104.74	331.09	7.04	-97.70
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525510	0	36	-3.0	-173.48	330.34	5.70	-167.78
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525510	1	37	-2.0	-106.24	330.35	4.99	-101.25
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1	REAL300000525512	0	39	-2.0	-101.92	342.48	7.73	-94.19
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCOC2=C(C(=O)[O-])C=CC=C21	REAL300000525533	0	39	-2.0	-105.79	324.85	7.25	-98.54
CC1=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=CC(C(=O)[O-])=C1F	REAL300000525535	0	39	-2.0	-107.21	345.17	7.60	-99.61
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCOC2=C(C(=O)[O-])C=CC=C21	REAL300000525536	0	39	-2.0	-103.12	329.57	7.40	-95.72
CC1=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000525541	0	42	-2.0	-108.23	357.73	8.15	-100.08
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525545	0	36	-2.0	-96.90	335.94	7.23	-89.67
CC1=CC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C(C)=C1C(=O)[O-]	REAL300000525551	0	42	-2.0	-110.17	347.95	8.01	-102.16
CC1=CC(F)=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000525552	0	39	-2.0	-101.58	345.42	7.69	-93.89
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525553	0	39	-2.0	-114.26	349.22	7.80	-106.46
CCC1=CC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000525557	0	42	-2.0	-109.93	353.71	8.05	-101.88
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOC2=C(C(=O)[O-])C=CC=C21	REAL300000525562	0	39	-2.0	-99.25	345.81	7.07	-92.18
COC1=CC=C([O-])C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525571	1	38	-2.0	-103.11	331.46	4.39	-98.72
CCN1C=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000525592	0	40	-2.0	-106.75	348.26	7.09	-99.66
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)S1	REAL300000525656	1	36	-2.0	-97.02	334.11	2.76	-94.26
CC1=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=CC=C1C(=O)[O-]	REAL300000525691	0	39	-2.0	-102.07	335.58	7.40	-94.67
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC2=C(C(=O)[O-])C=CC=C21	REAL300000525726	0	39	-2.0	-114.48	345.27	7.95	-106.53
O=C([O-])C1=CC=CC2=C1OCCN2S(=O)(=O)C1=NC=C[N-]1	REAL300000525731	0	30	-2.0	-96.03	272.13	2.71	-93.32
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1F	REAL300000525757	0	36	-2.0	-114.31	327.88	7.15	-107.16
CC1=C(F)C=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000525775	0	39	-2.0	-104.08	345.28	7.61	-96.47
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525829	0	35	-2.0	-101.59	319.17	5.34	-96.25
O=C([O-])C1=CC=CC2=C1OCCN2S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000525842	0	34	-2.0	-97.41	308.38	5.17	-92.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCOC2=C(C(=O)[O-])C=CC=C21	REAL300000525859	0	40	-2.0	-105.07	352.37	6.93	-98.14
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C(Cl)O1	REAL300000525864	0	33	-2.0	-100.70	324.37	6.08	-94.62
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000525970	1	39	-2.0	-96.21	349.98	4.14	-92.07
CCOC(=O)C1=CC(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)=N[N-]1	REAL300000525970	1	39	-2.0	-96.22	350.12	4.13	-92.09
CCC1=C(S(=O)(=O)N2CCOC3=C(C(=O)[O-])C=CC=C32)C=C(C(=O)[O-])O1	REAL300000526025	0	39	-2.0	-105.81	341.58	6.62	-99.19
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526031	0	37	-3.0	-209.91	357.32	4.31	-205.60
COC(=O)C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526031	1	38	-2.0	-110.69	357.34	4.26	-106.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526032	0	36	-3.0	-204.82	338.45	3.50	-201.32
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3OCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526032	1	37	-2.0	-112.23	338.59	3.46	-108.77
O=C([O-])C1=CC(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)=C(O)C(C(=O)[O-])=C1	REAL300000526033	0	40	-2.0	-114.23	358.69	6.08	-108.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000526034	0	31	-3.0	-215.59	311.04	3.93	-211.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526035	0	33	-4.0	-266.24	336.00	3.37	-262.87
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526035	1	34	-3.0	-169.10	336.04	3.32	-165.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526036	0	30	-3.0	-193.52	314.39	2.29	-191.23
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526037	0	32	-3.0	-202.19	323.36	4.05	-198.14
N#CC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526037	1	33	-2.0	-108.13	323.39	4.00	-104.13
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526038	0	32	-3.0	-197.07	323.34	4.05	-193.02
N#CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526038	1	33	-2.0	-110.21	323.37	4.00	-106.21
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000526039	0	31	-3.0	-201.92	324.76	4.24	-197.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526040	0	33	-4.0	-278.46	335.53	4.25	-274.21
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526040	1	34	-3.0	-169.69	335.53	4.19	-165.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1[N+](=O)[O-]	REAL300000526041	0	36	-3.0	-204.51	346.73	4.85	-199.66
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1[N+](=O)[O-]	REAL300000526041	1	37	-2.0	-106.10	346.32	4.78	-101.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526042	0	41	-3.0	-209.72	365.26	6.14	-203.58
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3CCCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526042	1	42	-2.0	-113.60	365.37	6.10	-107.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526043	0	33	-4.0	-265.63	330.97	4.23	-261.40
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526043	1	34	-3.0	-178.06	330.93	4.17	-173.89
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526044	0	39	-3.0	-216.98	360.27	2.74	-214.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1OC	REAL300000526045	0	39	-3.0	-204.03	361.26	2.86	-201.17
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1OC	REAL300000526045	1	40	-2.0	-115.19	361.29	2.81	-112.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526046	0	38	-3.0	-209.60	348.05	5.57	-204.03
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3CCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526046	1	39	-2.0	-115.49	348.12	5.52	-109.97
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526047	0	33	-3.0	-192.38	315.62	2.61	-189.77
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526048	0	33	-4.0	-283.40	331.00	4.22	-279.18
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526048	1	34	-3.0	-172.79	331.02	4.16	-168.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526049	0	31	-3.0	-193.98	315.23	3.78	-190.20
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(F)C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526049	1	32	-2.0	-114.38	315.30	3.74	-110.64
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526050	0	34	-3.0	-208.28	323.94	4.33	-203.95
CC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526050	1	35	-2.0	-112.50	324.01	4.27	-108.23
O=C([O-])C1=CC(NS(=O)(=O)C=CC2=CC=CC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526051	0	36	-2.0	-115.90	336.10	4.85	-111.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526052	0	31	-3.0	-202.40	319.26	4.18	-198.22
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526052	1	32	-2.0	-108.11	319.33	4.14	-103.97
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526053	0	36	-3.0	-204.03	345.28	4.15	-199.88
CC(=O)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526053	1	37	-2.0	-109.57	345.27	4.09	-105.48
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526054	0	37	-3.0	-208.94	339.43	5.10	-203.84
CC1=CC=C(C)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526054	1	38	-2.0	-113.51	340.41	5.12	-108.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000526055	0	37	-3.0	-209.44	340.95	4.86	-204.58
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000526055	1	38	-2.0	-113.48	340.98	4.81	-108.67
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O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526056	1	32	-2.0	-112.85	325.19	4.18	-108.67
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COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526097	0	37	-3.0	-199.72	357.30	4.32	-195.40
COC(=O)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526097	1	38	-2.0	-110.69	357.33	4.27	-106.42
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526098	0	38	-3.0	-204.14	358.96	1.94	-202.20
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NC(=O)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526099	1	36	-2.0	-110.59	337.07	0.39	-110.20
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CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526104	0	43	-3.0	-206.95	383.74	6.35	-200.60
CC(C)CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526104	1	44	-2.0	-112.81	383.71	6.29	-106.52
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CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526107	0	37	-3.0	-220.54	355.41	2.24	-218.30
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CCCOC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526108	1	42	-2.0	-111.53	375.45	4.63	-106.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(Cl)=C1	REAL300000526109	0	34	-3.0	-208.23	337.07	4.89	-203.34
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526110	0	34	-3.0	-198.38	324.42	4.50	-193.88
CC1=CC(F)=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526110	1	35	-2.0	-109.15	325.46	4.54	-104.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000526111	0	31	-3.0	-198.16	322.06	4.29	-193.87
O=C([O-])C1=CC(NS(=O)(=O)N2CCC3=CC=CC=C3C2)=C(O)C(C(=O)[O-])=C1	REAL300000526112	0	41	-2.0	-112.38	355.78	4.72	-107.66
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000526113	0	34	-4.0	-281.04	337.64	3.56	-277.48
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000526114	0	31	-3.0	-212.58	320.00	3.22	-209.36
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C(N)=O	REAL300000526115	0	36	-3.0	-201.97	344.48	-0.18	-202.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000526116	0	35	-3.0	-201.23	338.24	3.03	-198.20
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000526116	1	36	-2.0	-119.04	338.29	2.98	-116.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000526117	0	38	-3.0	-205.39	352.09	3.70	-201.69
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000526117	1	39	-2.0	-114.78	352.11	3.65	-111.13
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000526118	0	41	-3.0	-205.03	373.97	4.63	-200.40
CCOC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000526118	1	42	-2.0	-114.62	373.96	4.57	-110.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C(N)=O	REAL300000526119	0	38	-3.0	-199.37	353.12	1.12	-198.25
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C(N)=O	REAL300000526119	1	39	-2.0	-112.31	353.25	1.09	-111.22
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000526120	0	31	-3.0	-200.70	307.08	1.36	-199.34
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526121	0	36	-3.0	-191.94	346.24	5.10	-186.84
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN1C	REAL300000526122	0	39	-3.0	-202.59	366.41	1.31	-201.28
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526123	0	34	-3.0	-203.15	334.75	4.95	-198.20
CC1=CC=C(Cl)C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526123	1	35	-2.0	-112.52	335.78	4.99	-107.53
O=C([O-])C1=CC([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526124	0	38	-3.0	-196.80	362.05	4.09	-192.71
O=C([O-])C1=CC(NS(=O)(=O)CCOC2=CC=C(F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526124	1	39	-2.0	-110.87	364.39	4.01	-106.86
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000526125	0	41	-3.0	-205.24	376.11	4.54	-200.70
COC1=C(C)C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000526125	1	42	-2.0	-113.89	376.11	4.49	-109.40
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000526126	0	32	-3.0	-193.20	338.74	4.47	-188.73
N#CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000526126	1	33	-2.0	-113.75	338.74	4.40	-109.35
N#CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000526127	0	32	-3.0	-194.16	338.76	4.47	-189.69
N#CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000526127	1	33	-2.0	-117.13	338.75	4.40	-112.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526128	0	35	-3.0	-211.51	340.89	4.03	-207.48
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526128	1	36	-2.0	-110.96	340.88	3.98	-106.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000526129	0	34	-3.0	-203.36	337.99	4.78	-198.58
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000526129	1	35	-2.0	-108.57	338.07	4.72	-103.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000526130	0	31	-3.0	-208.00	324.20	4.22	-203.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000526131	0	34	-3.0	-202.80	329.25	4.37	-198.43
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000526131	1	35	-2.0	-108.08	329.32	4.32	-103.76
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526132	0	34	-3.0	-199.51	334.75	4.95	-194.56
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526132	1	35	-2.0	-109.25	335.79	4.98	-104.27
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526133	0	34	-3.0	-212.59	329.44	4.39	-208.20
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526134	0	34	-3.0	-203.10	324.42	4.50	-198.60
CC1=CC=C(F)C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526134	1	35	-2.0	-113.55	325.44	4.54	-109.01
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526135	0	36	-3.0	-224.93	336.16	5.91	-219.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C(C(=O)[O-])=CC(C(=O)[O-])=C2)=CS1	REAL300000526136	0	30	-4.0	-276.72	322.64	3.25	-273.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000526137	0	38	-3.0	-204.71	347.49	3.73	-200.98
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000526137	1	39	-2.0	-111.88	348.53	3.77	-108.11
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000526138	0	41	-3.0	-206.57	367.14	4.48	-202.09
COC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000526138	1	42	-2.0	-112.79	365.60	4.05	-108.74
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526139	0	35	-3.0	-210.20	333.72	2.01	-208.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526140	0	28	-3.0	-196.89	284.11	0.05	-196.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C(O)C(C(=O)[O-])=C1	REAL300000526141	0	35	-3.0	-196.30	340.35	4.03	-192.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000526142	0	31	-3.0	-203.00	317.44	4.00	-199.00
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C(C(=O)[O-])O1	REAL300000526143	0	33	-4.0	-271.19	334.00	3.36	-267.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C(O)C(C(=O)[O-])=C1	REAL300000526144	0	34	-3.0	-229.43	330.73	2.86	-226.57
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526145	0	41	-3.0	-218.39	374.05	5.03	-213.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526146	0	30	-3.0	-194.26	303.94	1.93	-192.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=C(O)C(C(=O)[O-])=C1	REAL300000526147	0	36	-3.0	-209.11	338.70	4.09	-205.02
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC3=NC=CC=C32)=C(O)C(C(=O)[O-])=C1	REAL300000526147	1	37	-2.0	-111.19	337.50	3.65	-107.54
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526148	0	31	-3.0	-213.06	306.55	2.76	-210.30
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000526149	0	41	-3.0	-204.38	369.35	4.66	-199.72
CCOC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000526149	1	42	-2.0	-112.03	370.33	4.69	-107.34
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)C=C12	REAL300000526150	0	35	-3.0	-191.37	342.28	0.64	-190.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000526151	0	31	-3.0	-208.92	314.30	3.78	-205.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C(O)C(C(=O)[O-])=C1	REAL300000526152	0	37	-3.0	-213.48	345.67	3.31	-210.17
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN1C	REAL300000526153	0	34	-3.0	-216.15	326.23	2.54	-213.61
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000526154	0	34	-3.0	-200.62	328.61	2.22	-198.40
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526155	0	38	-3.0	-209.50	357.60	3.37	-206.13
COCC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526155	1	39	-2.0	-112.32	357.67	3.33	-108.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526156	0	36	-3.0	-204.89	338.51	2.96	-201.93
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3COCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526156	1	37	-2.0	-111.67	338.56	2.91	-108.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000526157	0	31	-3.0	-202.49	322.06	4.29	-198.20
CC1CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CC=C2O1	REAL300000526158	0	39	-3.0	-205.06	359.45	4.26	-200.80
CC1CC2=CC(S(=O)(=O)NC3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CC=C2O1	REAL300000526158	1	40	-2.0	-112.60	359.49	4.22	-108.38
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526159	0	31	-3.0	-198.34	302.94	0.71	-197.63
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526160	0	35	-3.0	-208.84	332.03	2.96	-205.88
COC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526160	1	36	-2.0	-111.66	332.08	2.91	-108.75
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526161	0	34	-3.0	-208.05	318.02	4.43	-203.62
CC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526161	1	35	-2.0	-112.02	319.07	4.47	-107.55
CN1C=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=N1	REAL300000526162	0	31	-3.0	-210.58	307.37	1.19	-209.39
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526163	0	31	-3.0	-194.08	302.77	1.28	-192.80
COCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526164	0	31	-3.0	-196.91	299.43	0.48	-196.43
COCCS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526164	1	32	-2.0	-110.83	301.76	0.40	-110.43
O=C([O-])C1=CC([N-]S(=O)(=O)CC2CCCO2)=C(O)C(C(=O)[O-])=C1	REAL300000526165	0	35	-3.0	-209.72	321.89	1.88	-207.84
O=C([O-])C1=CC(NS(=O)(=O)CC2CCCO2)=C(O)C(C(=O)[O-])=C1	REAL300000526165	1	36	-2.0	-114.59	324.24	1.81	-112.78
O=C([O-])C1=CC([N-]S(=O)(=O)CC2CCCCO2)=C(O)C(C(=O)[O-])=C1	REAL300000526166	0	38	-3.0	-208.02	339.39	2.95	-205.07
O=C([O-])C1=CC(NS(=O)(=O)CC2CCCCO2)=C(O)C(C(=O)[O-])=C1	REAL300000526166	1	39	-2.0	-110.28	341.73	2.90	-107.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000526167	0	34	-3.0	-211.32	329.44	4.40	-206.92
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000526168	0	34	-3.0	-198.52	329.25	4.36	-194.16
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000526168	1	35	-2.0	-110.53	329.27	4.30	-106.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC=N2)=C(O)C(C(=O)[O-])=C1	REAL300000526169	0	28	-3.0	-211.19	283.84	1.05	-210.14
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000526170	0	34	-3.0	-195.80	342.08	2.46	-193.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C(O)C(C(=O)[O-])=C1	REAL300000526171	0	36	-3.0	-227.80	342.47	4.29	-223.51
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN=C1Cl	REAL300000526172	0	33	-3.0	-194.88	333.18	2.88	-192.00
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526173	0	37	-3.0	-212.99	360.70	1.26	-211.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1C	REAL300000526174	0	41	-3.0	-206.00	363.87	4.36	-201.64
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1C	REAL300000526174	1	42	-2.0	-112.90	364.19	4.39	-108.51
O=C([O-])C1=CC(NS(=O)(=O)N2CCOCC2)=C(O)C(C(=O)[O-])=C1	REAL300000526175	0	35	-2.0	-109.00	310.48	0.32	-108.68
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526176	0	43	-3.0	-204.25	381.65	4.26	-199.99
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)SC=C1	REAL300000526177	0	31	-3.0	-206.15	310.76	3.48	-202.67
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1C	REAL300000526178	0	40	-3.0	-203.86	361.04	3.56	-200.30
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1[N+](=O)[O-]	REAL300000526179	0	36	-3.0	-192.21	346.75	4.84	-187.37
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526180	0	35	-3.0	-202.63	338.80	4.83	-197.80
CC1=CC=C(C#N)C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526180	1	36	-2.0	-116.74	339.78	4.84	-111.90
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526181	0	43	-3.0	-208.98	355.14	6.23	-202.75
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526181	1	44	-2.0	-113.08	357.16	5.96	-107.12
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526182	0	35	-3.0	-197.77	338.78	4.81	-192.96
CC1=CC(C#N)=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526182	1	36	-2.0	-110.18	339.77	4.84	-105.34
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526183	0	43	-3.0	-208.65	364.41	7.11	-201.54
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526183	1	44	-2.0	-110.91	359.63	6.47	-104.44
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000526184	0	32	-3.0	-200.23	328.83	4.11	-196.12
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)C=C2O1	REAL300000526185	0	36	-3.0	-202.42	346.18	1.32	-201.10
CC1=NC2=CC=C(S(=O)(=O)NC3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)C=C2O1	REAL300000526185	1	37	-2.0	-117.13	346.14	1.26	-115.87
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000526186	0	37	-3.0	-201.06	347.29	2.74	-198.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526187	0	36	-3.0	-207.07	343.49	4.05	-203.02
O=C([O-])C1=CC(NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526187	1	37	-2.0	-112.62	343.33	3.98	-108.64
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000526188	0	37	-3.0	-205.83	361.91	2.43	-203.40
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN1	REAL300000526189	0	37	-3.0	-212.83	346.50	2.09	-210.74
O=C([O-])C1=CC(NS(=O)(=O)N2CCCCC2)=C(O)C(C(=O)[O-])=C1	REAL300000526190	0	37	-2.0	-111.06	319.36	2.74	-108.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526191	0	31	-3.0	-187.17	321.52	3.84	-183.33
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526191	1	32	-2.0	-107.96	321.57	3.80	-104.16
CC(C)OCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526192	0	37	-3.0	-197.93	341.56	2.19	-195.74
CC(C)OCCS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526192	1	38	-2.0	-111.53	343.89	2.11	-109.42
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN1C	REAL300000526193	0	38	-3.0	-207.81	363.70	3.76	-204.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526194	0	33	-4.0	-263.93	335.51	4.26	-259.67
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526194	1	34	-3.0	-182.36	335.50	4.21	-178.15
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC(C)=C1F	REAL300000526195	0	37	-3.0	-199.54	349.56	5.00	-194.54
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC(C)=C1F	REAL300000526195	1	38	-2.0	-110.48	349.63	4.95	-105.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C(C(=O)[O-])=CC(C(=O)[O-])=C2)S1	REAL300000526196	0	30	-4.0	-267.27	323.26	3.34	-263.93
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526197	0	40	-3.0	-213.73	367.08	4.92	-208.81
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526198	0	33	-4.0	-272.17	337.41	4.29	-267.88
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526198	1	34	-3.0	-199.10	337.42	4.23	-194.87
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN1	REAL300000526199	0	35	-3.0	-204.42	345.93	2.00	-202.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000526200	0	33	-4.0	-265.88	336.46	4.29	-261.59
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526201	0	34	-3.0	-202.87	322.91	4.49	-198.38
CC1=C(F)C=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526201	1	35	-2.0	-106.03	321.25	4.05	-101.98
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000526202	0	33	-3.0	-200.59	326.80	2.26	-198.33
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526203	0	35	-3.0	-212.11	344.79	4.83	-207.28
N#CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526203	1	36	-2.0	-116.50	344.80	4.78	-111.72
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526204	0	37	-3.0	-209.08	345.42	5.08	-204.00
CCC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526204	1	38	-2.0	-112.06	345.49	5.04	-107.02
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526205	0	34	-3.0	-203.01	330.36	4.38	-198.63
CC1=CC(F)=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526205	1	35	-2.0	-108.55	330.42	4.34	-104.21
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526206	0	37	-3.0	-197.61	360.43	3.11	-194.50
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C(F)C=C1F	REAL300000526207	0	34	-3.0	-201.22	334.74	4.41	-196.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C(O)C(C(=O)[O-])=C1	REAL300000526208	0	37	-3.0	-219.10	343.58	5.97	-213.13
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC3=CC=CC=C32)=C(O)C(C(=O)[O-])=C1	REAL300000526208	1	38	-2.0	-112.36	342.36	5.54	-106.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526209	0	33	-3.0	-202.53	334.52	3.14	-199.39
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C(O)C(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000526210	0	34	-4.0	-283.89	340.71	1.93	-281.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C(O)C(C(=O)[O-])=C1	REAL300000526211	0	41	-3.0	-213.77	357.84	6.28	-207.49
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC3=C2CCCC3)=C(O)C(C(=O)[O-])=C1	REAL300000526211	1	42	-2.0	-112.56	356.24	5.86	-106.70
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526212	0	36	-4.0	-272.06	353.17	5.00	-267.06
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526212	1	37	-3.0	-176.29	353.24	4.95	-171.34
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000526213	0	37	-3.0	-196.10	363.94	3.39	-192.71
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)SC=C1	REAL300000526214	0	32	-3.0	-215.58	324.70	1.94	-213.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C(O)C(C(=O)[O-])=C1	REAL300000526215	0	34	-3.0	-206.55	332.30	4.05	-202.50
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526216	0	31	-3.0	-191.47	318.58	2.57	-188.90
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)N=C1Cl	REAL300000526217	0	31	-3.0	-208.56	322.88	2.47	-206.09
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC(OC)=C1	REAL300000526218	0	39	-3.0	-209.79	361.53	2.27	-207.52
COC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC(OC)=C1	REAL300000526218	1	40	-2.0	-117.17	361.55	2.21	-114.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C(O)C(C(=O)[O-])=C1	REAL300000526219	0	32	-3.0	-210.50	318.37	2.40	-208.10
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526220	0	32	-3.0	-194.31	324.75	1.49	-192.82
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000526221	0	30	-3.0	-199.78	311.06	1.49	-198.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526222	0	36	-4.0	-280.88	341.03	4.87	-276.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526222	1	37	-3.0	-173.31	341.94	4.89	-168.42
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526223	0	38	-3.0	-200.29	354.91	0.71	-199.58
COCCOCCS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526223	1	39	-2.0	-112.97	357.24	0.63	-112.34
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526224	0	36	-4.0	-266.45	346.41	4.99	-261.46
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526224	1	37	-3.0	-180.70	347.43	5.03	-175.67
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000526225	0	34	-3.0	-205.38	334.72	4.43	-200.95
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1CC	REAL300000526226	0	43	-3.0	-209.51	379.59	6.23	-203.28
CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1CC	REAL300000526226	1	44	-2.0	-113.13	379.66	6.18	-106.95
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526227	0	37	-3.0	-213.24	347.98	4.05	-209.19
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000526228	0	36	-3.0	-194.29	353.27	2.49	-191.80
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526229	0	39	-3.0	-219.14	365.62	4.93	-214.21
CCC(=O)C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526229	1	40	-2.0	-113.73	365.63	4.87	-108.86
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000526230	0	38	-3.0	-198.74	362.28	1.26	-197.48
CN(C1CCCC1)S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526231	0	40	-2.0	-112.43	339.95	3.41	-109.02
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000526232	0	40	-3.0	-206.11	375.53	5.31	-200.80
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526233	0	37	-3.0	-212.51	349.85	4.42	-208.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526234	0	39	-3.0	-199.16	360.57	1.40	-197.76
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1F	REAL300000526235	0	34	-3.0	-213.11	328.35	4.36	-208.75
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000526236	0	37	-3.0	-197.02	351.56	1.27	-195.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C(O)C(C(=O)[O-])=C1	REAL300000526237	0	38	-3.0	-217.16	348.48	3.68	-213.48
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526238	0	38	-3.0	-206.40	357.60	3.39	-203.01
COCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526238	1	39	-2.0	-113.11	357.68	3.34	-109.77
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526239	0	36	-3.0	-210.63	341.80	0.64	-209.99
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000526240	0	34	-3.0	-209.79	334.40	4.80	-204.99
CC1CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C1	REAL300000526241	0	37	-2.0	-110.02	328.40	2.64	-107.38
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C(C)O1	REAL300000526242	0	34	-3.0	-202.42	325.48	3.24	-199.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526243	0	39	-3.0	-206.53	356.25	4.28	-202.25
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3OCCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526243	1	40	-2.0	-114.94	356.30	4.25	-110.69
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526244	0	38	-3.0	-206.07	349.14	3.70	-202.37
COCC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526244	1	39	-2.0	-110.17	347.75	3.26	-106.91
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526245	0	41	-3.0	-203.95	371.79	4.51	-199.44
CC(C)OC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526245	1	42	-2.0	-112.09	372.50	4.50	-107.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000526246	0	31	-3.0	-203.25	307.13	2.47	-200.78
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526247	0	34	-3.0	-206.43	334.75	4.02	-202.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526248	0	34	-3.0	-201.92	328.59	2.32	-199.60
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3OCOC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526248	1	35	-2.0	-110.71	328.56	2.27	-108.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526249	0	31	-3.0	-195.61	325.68	4.24	-191.37
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C(C)O1	REAL300000526250	0	37	-3.0	-197.10	360.37	3.22	-193.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526251	0	30	-3.0	-194.65	314.28	2.35	-192.30
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)N=C1C	REAL300000526252	0	37	-3.0	-216.22	348.26	3.44	-212.78
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526253	0	34	-3.0	-209.39	337.07	4.89	-204.50
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000526254	0	37	-4.0	-281.50	359.02	4.43	-277.07
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526255	0	34	-3.0	-201.19	342.42	2.41	-198.78
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526256	0	43	-3.0	-205.86	382.01	4.21	-201.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000526257	0	31	-3.0	-211.98	318.59	4.46	-207.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(Cl)=N1	REAL300000526258	0	33	-3.0	-204.09	332.43	2.97	-201.12
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526259	0	36	-3.0	-204.49	351.58	3.85	-200.64
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000526260	0	33	-3.0	-199.45	332.54	2.24	-197.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1F	REAL300000526261	0	38	-3.0	-201.02	352.62	3.77	-197.25
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1F	REAL300000526261	1	39	-2.0	-109.78	353.55	3.81	-105.97
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(Cl)=C1	REAL300000526262	0	32	-3.0	-197.50	336.42	4.61	-192.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526263	0	34	-3.0	-217.04	330.46	3.98	-213.06
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526264	0	36	-3.0	-200.25	352.48	2.52	-197.73
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526265	0	41	-3.0	-216.46	366.08	5.42	-211.04
CN(C)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526266	0	40	-2.0	-114.76	353.17	3.99	-110.77
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526266	1	39	-3.0	-209.65	354.02	4.07	-205.58
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526267	0	31	-3.0	-197.26	331.52	3.88	-193.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526268	0	34	-3.0	-206.47	334.72	4.52	-201.95
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC(C(F)F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526268	1	35	-2.0	-111.75	334.78	4.49	-107.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526269	0	34	-3.0	-199.91	341.61	2.51	-197.40
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526270	0	35	-3.0	-216.00	338.61	4.72	-211.28
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526271	0	40	-3.0	-212.46	356.53	5.66	-206.80
CC(C)C1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526271	1	41	-2.0	-112.19	355.23	5.25	-106.94
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000526272	0	35	-3.0	-196.80	338.25	3.03	-193.77
COC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000526272	1	36	-2.0	-110.69	338.34	2.98	-107.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CO2)=C(O)C(C(=O)[O-])=C1	REAL300000526273	0	28	-3.0	-202.09	285.21	1.65	-200.44
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526274	0	30	-3.0	-187.56	296.94	0.07	-187.49
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CN=C21	REAL300000526275	0	36	-3.0	-198.19	346.88	2.79	-195.40
CN1N=CC2=CC(S(=O)(=O)NC3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CN=C21	REAL300000526275	1	37	-2.0	-110.83	347.13	2.73	-108.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526276	0	30	-3.0	-193.54	323.70	3.42	-190.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C(O)C(C(=O)[O-])=C1	REAL300000526277	0	35	-3.0	-207.35	330.66	3.10	-204.25
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526278	0	32	-3.0	-202.20	336.45	4.62	-197.58
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526279	0	37	-3.0	-207.13	332.74	5.39	-201.74
CCC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526279	1	38	-2.0	-109.89	331.33	4.74	-105.15
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526280	0	39	-3.0	-223.62	356.51	4.17	-219.45
O=C([O-])C1=CC(NS(=O)(=O)CCCCCl)=C(O)C(C(=O)[O-])=C1	REAL300000526281	0	34	-2.0	-111.20	328.24	3.52	-107.68
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526282	0	34	-3.0	-213.28	322.14	4.63	-208.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C(O)C(C(=O)[O-])=C1	REAL300000526283	0	35	-3.0	-223.06	340.93	3.74	-219.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C(O)C(C(=O)[O-])=C1	REAL300000526284	0	32	-3.0	-213.88	327.31	1.96	-211.92
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526285	0	34	-3.0	-201.23	327.10	1.13	-200.10
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)OCO2	REAL300000526286	0	37	-3.0	-202.61	344.03	3.09	-199.52
CC1=CC2=C(C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)OCO2	REAL300000526286	1	38	-2.0	-114.74	345.03	3.13	-111.61
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526287	0	35	-3.0	-212.33	333.74	5.06	-207.27
N#CCC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526287	1	36	-2.0	-113.49	336.88	4.89	-108.60
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526288	0	35	-3.0	-212.32	344.78	4.81	-207.51
N#CCC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526288	1	36	-2.0	-116.15	344.85	4.77	-111.38
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526289	0	37	-3.0	-198.88	339.19	5.45	-193.43
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526289	1	38	-2.0	-108.45	335.13	5.24	-103.21
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(N)=NO1	REAL300000526290	0	32	-3.0	-191.60	310.07	1.02	-190.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526291	0	32	-3.0	-199.46	330.03	2.43	-197.03
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526292	0	38	-3.0	-209.62	347.50	3.73	-205.89
COC1=CC=C(C)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526292	1	39	-2.0	-116.66	348.52	3.77	-112.89
O=C([O-])C1=CC(NS(=O)(=O)C2=CCCCC2)=C(O)C(C(=O)[O-])=C1	REAL300000526293	0	36	-2.0	-109.26	319.54	3.95	-105.31
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000526294	0	29	-3.0	-193.97	315.05	3.21	-190.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000526295	0	33	-3.0	-201.94	319.13	2.49	-199.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526296	0	36	-3.0	-205.35	343.71	4.02	-201.33
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1C#N	REAL300000526297	0	35	-3.0	-196.92	342.50	4.55	-192.37
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1C#N	REAL300000526297	1	36	-2.0	-110.85	342.46	4.49	-106.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526298	0	30	-3.0	-187.49	320.27	2.35	-185.14
COC(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526299	0	34	-3.0	-204.79	318.54	1.42	-203.37
COC(C)CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526299	1	35	-2.0	-113.67	320.88	1.36	-112.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000526300	0	35	-3.0	-207.56	337.51	3.02	-204.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C(O)C(C(=O)[O-])=C1	REAL300000526301	0	37	-3.0	-204.92	348.26	4.16	-200.76
O=C([O-])C1=CC(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)=C(O)C(C(=O)[O-])=C1	REAL300000526301	1	38	-2.0	-111.94	349.93	4.18	-107.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526302	0	34	-3.0	-203.19	334.71	4.52	-198.67
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526302	1	35	-2.0	-109.90	336.74	4.54	-105.36
COC1CN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C1	REAL300000526303	0	35	-2.0	-111.76	325.35	0.15	-111.61
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)N(C)N=C1	REAL300000526304	0	34	-3.0	-195.84	319.40	2.12	-193.72
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000526305	0	29	-3.0	-193.34	306.46	2.21	-191.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526306	0	28	-3.0	-201.79	293.63	2.57	-199.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526307	0	28	-3.0	-200.94	285.06	1.54	-199.40
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1C(=O)[O-]	REAL300000526308	0	36	-4.0	-267.79	351.05	4.87	-262.92
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1C(=O)[O-]	REAL300000526308	1	37	-3.0	-175.76	347.53	4.74	-171.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000526309	0	34	-3.0	-197.02	329.71	0.34	-196.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000526310	0	31	-3.0	-205.61	324.76	4.24	-201.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C(O)C(C(=O)[O-])=C1	REAL300000526311	0	34	-3.0	-209.90	339.05	5.01	-204.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C(O)C(C(=O)[O-])=C1	REAL300000526312	0	34	-3.0	-211.58	329.13	2.29	-209.29
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526313	0	38	-3.0	-209.04	353.88	3.88	-205.16
CCOC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526313	1	39	-2.0	-111.49	353.94	3.83	-107.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C(O)C(C(=O)[O-])=C1	REAL300000526314	0	28	-3.0	-204.15	310.51	3.11	-201.04
CC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526315	0	31	-3.0	-204.02	316.10	3.32	-200.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000526316	0	28	-3.0	-197.81	300.82	0.47	-197.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000526317	0	30	-3.0	-197.52	309.43	1.77	-195.75
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526318	0	40	-3.0	-199.05	366.98	2.72	-196.33
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000526319	0	40	-3.0	-197.73	371.70	2.20	-195.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526320	0	39	-3.0	-203.94	363.07	4.63	-199.31
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526320	1	40	-2.0	-114.64	363.19	4.57	-110.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C(O)C(C(=O)[O-])=C1	REAL300000526321	0	34	-3.0	-199.49	338.72	4.12	-195.37
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526322	0	36	-3.0	-216.80	343.69	3.24	-213.56
CC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526323	0	30	-3.0	-195.18	311.02	1.95	-193.23
O=C([O-])C1=CC(NS(=O)(=O)C2=CNC(=O)S2)=C(O)C(C(=O)[O-])=C1	REAL300000526324	0	29	-2.0	-120.56	299.77	-0.47	-121.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC(=O)S2)=C(O)C(C(=O)[O-])=C1	REAL300000526324	1	28	-3.0	-194.27	299.37	-0.46	-194.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526325	0	38	-3.0	-206.69	351.75	5.76	-200.93
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(C3CC3)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526325	1	39	-2.0	-113.54	351.85	5.71	-107.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C(O)C(C(=O)[O-])=C1	REAL300000526326	0	28	-3.0	-206.95	300.81	2.70	-204.25
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000526327	0	32	-3.0	-193.05	329.24	4.09	-188.96
N#CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000526327	1	33	-2.0	-115.11	329.23	4.04	-111.07
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000526328	0	35	-3.0	-211.45	324.08	2.69	-208.76
COCC1(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000526328	1	36	-2.0	-116.17	315.17	2.23	-113.94
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526329	0	31	-3.0	-231.44	307.88	-0.41	-231.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NC=CN2)=C(O)C(C(=O)[O-])=C1	REAL300000526330	0	28	-3.0	-204.71	284.16	0.23	-204.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526331	0	36	-3.0	-210.48	339.53	0.57	-209.91
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000526332	0	34	-3.0	-207.62	332.65	4.29	-203.33
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526333	0	33	-3.0	-193.98	330.09	3.04	-190.94
CCOC(=O)CC1(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000526334	0	41	-2.0	-113.09	362.80	4.55	-108.54
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000526334	1	40	-3.0	-215.48	369.34	5.14	-210.34
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=NN1C	REAL300000526335	0	34	-3.0	-201.78	323.20	1.89	-199.89
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526336	0	35	-3.0	-207.41	333.61	4.75	-202.66
C=CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526336	1	36	-2.0	-113.45	333.64	4.69	-108.76
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526337	0	34	-3.0	-202.07	325.92	2.01	-200.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C(O)C(C(=O)[O-])=C1	REAL300000526338	0	31	-3.0	-198.92	318.21	1.19	-197.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000526339	0	33	-4.0	-289.31	334.63	4.24	-285.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526340	0	33	-3.0	-219.53	333.73	3.08	-216.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526341	0	36	-3.0	-209.64	338.33	3.50	-206.14
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3CCOC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526341	1	37	-2.0	-112.51	338.33	3.44	-109.07
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526342	0	34	-3.0	-209.34	329.68	5.16	-204.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C(O)C(C(=O)[O-])=C1	REAL300000526343	0	36	-3.0	-218.85	338.84	3.48	-215.37
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)OC	REAL300000526344	0	37	-3.0	-204.05	337.66	2.20	-201.85
CCC(CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)OC	REAL300000526344	1	38	-2.0	-113.88	338.41	1.91	-111.97
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526345	0	43	-3.0	-205.20	372.87	3.24	-201.96
COC(CC(C)C)CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526345	1	44	-2.0	-113.30	374.40	3.48	-109.82
O=C([O-])C1=CC([N-]S(=O)(=O)CCOCC2CC2)=C(O)C(C(=O)[O-])=C1	REAL300000526346	0	38	-3.0	-197.77	352.95	3.03	-194.74
O=C([O-])C1=CC(NS(=O)(=O)CCOCC2CC2)=C(O)C(C(=O)[O-])=C1	REAL300000526346	1	39	-2.0	-111.52	355.29	2.95	-108.57
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000526347	0	34	-3.0	-214.45	332.44	4.60	-209.85
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000526348	0	36	-3.0	-204.38	346.38	2.12	-202.26
CN1N=NC2=CC(S(=O)(=O)NC3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000526348	1	37	-2.0	-124.20	346.23	2.06	-122.14
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C1CC1	REAL300000526349	0	38	-3.0	-208.77	343.78	3.46	-205.31
COC(CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C1CC1	REAL300000526349	1	39	-2.0	-113.83	345.55	3.21	-110.62
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526350	0	35	-3.0	-210.53	337.19	3.51	-207.02
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526351	0	30	-3.0	-191.56	299.49	1.62	-189.94
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000526352	0	34	-3.0	-199.93	337.99	4.76	-195.17
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000526352	1	35	-2.0	-110.52	338.02	4.71	-105.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526353	0	37	-3.0	-217.54	350.62	4.65	-212.89
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526353	1	38	-2.0	-130.44	350.63	4.58	-125.86
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526354	0	36	-3.0	-219.83	344.06	-0.40	-220.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000526355	0	30	-3.0	-206.96	303.04	1.83	-205.13
O=C([O-])C1=CC(NS(=O)(=O)CCC2CCCC2)=C(O)C(C(=O)[O-])=C1	REAL300000526356	0	41	-2.0	-111.13	353.80	4.73	-106.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526357	0	30	-3.0	-192.24	303.93	1.81	-190.43
O=C([O-])C1=CC([N-]S(=O)(=O)CCOCC2CCC2)=C(O)C(C(=O)[O-])=C1	REAL300000526358	0	41	-3.0	-197.94	369.52	3.56	-194.38
O=C([O-])C1=CC(NS(=O)(=O)CCOCC2CCC2)=C(O)C(C(=O)[O-])=C1	REAL300000526358	1	42	-2.0	-111.68	371.86	3.48	-108.20
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C(C)C	REAL300000526359	0	40	-3.0	-204.55	352.29	2.99	-201.56
COC(CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C(C)C	REAL300000526359	1	41	-2.0	-112.93	356.54	2.66	-110.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526360	0	31	-3.0	-194.94	325.12	4.23	-190.71
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526360	1	32	-2.0	-113.69	325.20	4.19	-109.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C(O)C(C(=O)[O-])=C1	REAL300000526361	0	39	-3.0	-219.20	354.72	4.86	-214.34
COC1CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000526362	0	41	-2.0	-114.28	351.72	1.74	-112.54
CCC1CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000526363	0	43	-2.0	-112.35	358.33	3.98	-108.37
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526364	0	38	-3.0	-218.16	358.46	1.10	-217.06
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526364	1	39	-2.0	-115.69	358.48	1.04	-114.65
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(=O)NC1=O	REAL300000526365	0	34	-3.0	-205.58	330.94	0.35	-205.23
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)N(C)N=C1	REAL300000526366	0	37	-3.0	-204.01	351.77	2.73	-201.28
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C1CC1	REAL300000526367	0	41	-3.0	-206.54	365.96	4.01	-202.53
CCOC(CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C1CC1	REAL300000526367	1	42	-2.0	-114.15	368.30	3.94	-110.21
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C1CCCC1	REAL300000526368	0	44	-3.0	-204.72	376.37	4.37	-200.35
COC(CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C1CCCC1	REAL300000526368	1	45	-2.0	-108.54	377.98	3.91	-104.63
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000526369	0	37	-3.0	-196.65	359.97	3.04	-193.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C(O)C(C(=O)[O-])=C1	REAL300000526370	0	34	-3.0	-200.82	342.28	3.16	-197.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000526371	0	30	-3.0	-198.67	319.88	2.26	-196.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(F)=C1F	REAL300000526372	0	34	-3.0	-208.94	334.61	4.44	-204.50
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)OC=C1	REAL300000526373	0	34	-3.0	-212.60	334.66	3.11	-209.49
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=N1	REAL300000526374	0	33	-3.0	-219.33	329.62	2.64	-216.69
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=N1	REAL300000526375	0	43	-3.0	-202.05	390.45	4.42	-197.63
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526376	0	32	-4.0	-281.25	327.21	2.34	-278.91
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526377	0	35	-3.0	-205.64	335.33	3.80	-201.84
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526378	0	32	-3.0	-194.93	329.77	4.12	-190.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C(O)C(C(=O)[O-])=C1	REAL300000526379	0	33	-3.0	-202.95	325.80	2.71	-200.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C(O)C(C(=O)[O-])=C1	REAL300000526379	1	33	-3.0	-218.25	325.70	2.84	-215.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C(O)C(C(=O)[O-])=C1	REAL300000526380	0	35	-3.0	-215.81	336.27	3.63	-212.18
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526381	0	41	-3.0	-200.95	363.53	3.77	-197.18
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C(C)(C)C)=N1	REAL300000526382	0	43	-3.0	-202.92	370.90	4.27	-198.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526383	0	41	-3.0	-201.64	369.94	4.00	-197.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C(O)C(C(=O)[O-])=C1	REAL300000526384	0	32	-3.0	-204.13	318.72	1.41	-202.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])=C(O)C(C(=O)[O-])=C1	REAL300000526384	1	31	-4.0	-305.73	315.16	2.28	-303.45
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526385	0	41	-3.0	-206.44	379.73	6.44	-200.00
C=CCCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526385	1	42	-2.0	-112.40	379.81	6.39	-106.01
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526386	0	34	-3.0	-219.92	333.54	1.31	-218.61
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526387	0	37	-3.0	-202.48	345.39	2.82	-199.66
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000526388	0	36	-3.0	-203.58	347.54	4.13	-199.45
NC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000526389	0	31	-3.0	-194.94	307.74	1.00	-193.94
O=C([O-])C1=CC(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526390	0	36	-2.0	-111.75	352.83	5.37	-106.38
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526391	0	38	-3.0	-209.82	366.28	5.62	-204.20
N#CCCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000526391	1	39	-2.0	-116.18	366.36	5.57	-110.61
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526392	0	37	-3.0	-200.14	349.52	5.88	-194.26
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526392	1	38	-2.0	-108.51	345.47	5.68	-102.83
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526393	0	31	-3.0	-191.56	321.78	-0.54	-192.10
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000526394	0	44	-3.0	-211.31	374.59	3.88	-207.43
CC1(C)CCCC(CS(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000526394	1	45	-2.0	-117.16	376.94	3.81	-113.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NS2)=C(O)C(C(=O)[O-])=C1	REAL300000526395	0	27	-3.0	-194.94	289.27	1.36	-193.58
O=C([O-])C1=CC(NS(=O)(=O)C=CC2=CC=CC=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000526396	0	36	-2.0	-112.64	350.34	5.28	-107.36
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C(C(N)=O)O1	REAL300000526397	0	35	-3.0	-201.59	342.04	-0.73	-202.32
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526398	0	40	-3.0	-208.54	354.26	6.17	-202.37
CCCC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526398	1	41	-2.0	-110.05	352.88	5.51	-104.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C(O)C(C(=O)[O-])=C1	REAL300000526399	0	31	-3.0	-213.32	317.25	3.78	-209.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C(O)C(C(=O)[O-])=C1	REAL300000526400	0	36	-3.0	-219.59	338.78	4.17	-215.42
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526401	0	38	-3.0	-205.79	363.95	3.85	-201.94
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1F	REAL300000526402	0	32	-3.0	-207.67	328.36	4.08	-203.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526403	0	38	-3.0	-201.41	352.43	3.33	-198.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C(O)C(C(=O)[O-])=C1	REAL300000526404	0	38	-3.0	-198.21	349.82	3.53	-194.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C(O)C(C(=O)[O-])=C1	REAL300000526405	0	41	-3.0	-199.61	371.74	4.28	-195.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C(O)C(C(=O)[O-])=C1	REAL300000526406	0	38	-3.0	-205.62	346.92	3.68	-201.94
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526407	0	34	-3.0	-202.62	325.43	4.36	-198.26
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=C2O1	REAL300000526408	0	39	-3.0	-220.42	359.93	4.25	-216.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000526409	0	28	-3.0	-203.11	307.96	3.10	-200.01
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526410	0	36	-3.0	-221.86	344.26	3.25	-218.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526411	0	32	-3.0	-191.77	317.41	2.44	-189.33
O=C([O-])C1=CC(NS(=O)(=O)C2=CC3=NON=C3C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526411	1	33	-2.0	-106.63	317.02	2.36	-104.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C(O)C(C(=O)[O-])=C1	REAL300000526412	0	34	-3.0	-208.12	341.37	5.08	-203.04
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526413	0	38	-3.0	-196.16	354.47	3.38	-192.78
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1F	REAL300000526414	0	40	-3.0	-203.76	358.28	6.01	-197.75
CC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1F	REAL300000526414	1	41	-2.0	-106.58	357.70	5.41	-101.17
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1OC	REAL300000526415	0	39	-3.0	-211.75	358.31	3.58	-208.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C(O)C(C(=O)[O-])=C1	REAL300000526416	0	34	-3.0	-208.57	332.30	3.94	-204.63
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C2CC2)=N1	REAL300000526417	0	38	-3.0	-205.74	357.83	3.58	-202.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C(O)C(C(=O)[O-])=C1	REAL300000526418	0	34	-3.0	-214.86	331.97	2.85	-212.01
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)C=CC=C21	REAL300000526419	0	36	-3.0	-226.38	347.08	2.06	-224.32
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=C21	REAL300000526420	0	38	-3.0	-208.54	343.21	5.63	-202.91
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN=C1N	REAL300000526421	0	35	-3.0	-204.76	330.54	1.36	-203.40
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN=C1N	REAL300000526421	1	36	-2.0	-112.36	330.87	1.33	-111.03
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526422	0	31	-3.0	-200.97	319.82	-0.48	-201.45
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)N=CN1	REAL300000526423	0	31	-3.0	-212.56	301.64	1.76	-210.80
CC1(C)CCCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C1	REAL300000526424	0	43	-2.0	-114.07	339.58	3.32	-110.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526425	0	34	-3.0	-203.49	336.25	4.04	-199.45
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C2CCC2)=N1	REAL300000526426	0	41	-3.0	-206.65	374.06	4.07	-202.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526427	0	28	-3.0	-202.24	308.34	3.20	-199.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526428	0	41	-3.0	-202.19	376.53	4.30	-197.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C(O)C(C(=O)[O-])=C1	REAL300000526429	0	35	-3.0	-212.86	340.67	4.77	-208.09
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526430	0	40	-3.0	-209.09	366.92	5.87	-203.22
CCCC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526430	1	41	-2.0	-111.90	366.99	5.82	-106.08
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526431	0	37	-3.0	-193.01	358.81	2.00	-191.01
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526432	0	38	-3.0	-200.93	347.20	3.23	-197.70
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526433	0	37	-3.0	-208.53	332.66	5.34	-203.19
CC1=CC=CC(C)=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526433	1	38	-2.0	-111.19	328.73	5.19	-106.00
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526434	0	40	-3.0	-195.72	349.52	3.56	-192.16
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000526435	0	40	-3.0	-202.54	367.03	3.37	-199.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C(O)C(C(=O)[O-])=C1	REAL300000526436	0	38	-3.0	-202.81	351.11	2.76	-200.05
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000526437	0	42	-3.0	-201.98	376.80	4.46	-197.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526438	0	34	-3.0	-205.68	330.52	4.47	-201.21
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(CF)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526438	1	35	-2.0	-112.25	330.60	4.43	-107.82
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526439	0	34	-3.0	-195.08	324.71	1.87	-193.21
O=C([O-])C1=CC(NS(=O)(=O)N2CCC(F)(F)CC2)=C(O)C(C(=O)[O-])=C1	REAL300000526440	0	37	-2.0	-109.55	330.70	2.84	-106.71
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1C	REAL300000526441	0	37	-3.0	-209.05	335.03	4.97	-204.08
CC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1C	REAL300000526441	1	38	-2.0	-112.81	335.95	4.99	-107.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C(O)C(C(=O)[O-])=C1	REAL300000526442	0	34	-3.0	-218.76	323.53	4.96	-213.80
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000526443	0	32	-3.0	-204.65	335.15	4.52	-200.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526444	0	38	-3.0	-208.91	351.75	5.77	-203.14
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526444	1	39	-2.0	-112.03	351.82	5.72	-106.31
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=CS1	REAL300000526445	0	32	-3.0	-210.67	324.79	2.10	-208.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000526446	0	38	-3.0	-209.90	357.25	5.83	-204.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C(O)C(C(=O)[O-])=C1	REAL300000526447	0	41	-3.0	-199.02	367.35	4.25	-194.77
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526448	0	40	-3.0	-198.03	362.49	3.55	-194.48
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)C2=N1	REAL300000526449	0	36	-3.0	-216.77	346.14	2.02	-214.75
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000526450	0	34	-3.0	-203.40	328.61	3.26	-200.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C(O)C(C(=O)[O-])=C1	REAL300000526451	0	31	-3.0	-194.15	326.39	2.88	-191.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000526452	0	32	-3.0	-201.19	326.32	2.12	-199.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526453	0	34	-3.0	-197.66	335.20	2.35	-195.31
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526454	0	41	-3.0	-209.92	379.45	4.34	-205.58
CCOCC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526454	1	42	-2.0	-112.33	379.52	4.30	-108.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C(O)C(C(=O)[O-])=C1	REAL300000526455	0	34	-3.0	-210.37	323.10	4.63	-205.74
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC=C2CF)=C(O)C(C(=O)[O-])=C1	REAL300000526455	1	35	-2.0	-111.54	324.37	4.64	-106.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C(O)C(C(=O)[O-])=C1	REAL300000526456	0	34	-3.0	-209.48	329.53	4.01	-205.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526457	0	33	-3.0	-207.41	333.47	3.05	-204.36
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3SC=NC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526457	1	34	-2.0	-111.89	333.35	3.00	-108.89
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=N1	REAL300000526458	0	33	-3.0	-199.95	323.24	0.53	-199.42
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000526459	0	34	-3.0	-198.38	344.20	2.58	-195.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C(O)C(C(=O)[O-])=C1	REAL300000526460	0	28	-3.0	-195.68	302.28	2.27	-193.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526461	0	38	-3.0	-205.46	360.45	4.03	-201.43
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(OCCF)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526461	1	39	-2.0	-111.85	360.53	3.98	-107.87
O=C([O-])C1=CC(NS(=O)(=O)C=CC2=CC=C(F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526462	0	36	-2.0	-114.28	342.51	4.92	-109.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C(O)C(C(=O)[O-])=C1	REAL300000526463	0	35	-3.0	-205.84	346.36	4.97	-200.87
CC1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526464	0	31	-3.0	-202.41	307.12	2.32	-200.09
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=NN1	REAL300000526465	0	37	-3.0	-201.13	362.90	1.45	-199.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526466	0	30	-3.0	-186.90	320.16	2.30	-184.60
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526467	0	37	-3.0	-202.65	346.95	3.59	-199.06
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000526468	0	38	-3.0	-214.75	356.25	5.42	-209.33
CN1C=CC2=CC(S(=O)(=O)NC3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000526468	1	39	-2.0	-117.01	356.12	5.37	-111.64
CN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000526469	0	31	-3.0	-197.80	322.39	1.71	-196.09
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)OC=C1	REAL300000526470	0	29	-3.0	-203.81	306.69	2.10	-201.71
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526471	0	33	-3.0	-194.01	330.28	3.06	-190.95
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C2CC2)=N1	REAL300000526472	0	41	-3.0	-206.44	379.33	4.45	-201.99
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(=O)NC(=O)N1	REAL300000526473	0	34	-3.0	-204.99	325.60	-0.62	-205.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526474	0	28	-3.0	-199.91	301.28	2.16	-197.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C(O)C(C(=O)[O-])=C1	REAL300000526475	0	28	-3.0	-197.55	311.34	3.17	-194.38
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526476	0	39	-3.0	-197.47	354.81	1.40	-196.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C(O)C(C(=O)[O-])=C1	REAL300000526477	0	38	-3.0	-213.77	346.09	5.83	-207.94
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC=C2C2CC2)=C(O)C(C(=O)[O-])=C1	REAL300000526477	1	39	-2.0	-113.31	347.23	5.81	-107.50
CC1(C)CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000526478	0	43	-2.0	-112.01	353.61	3.62	-108.39
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=N1	REAL300000526479	0	37	-3.0	-197.47	345.38	1.11	-196.36
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=N1	REAL300000526479	1	38	-2.0	-110.69	346.46	1.15	-109.54
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526480	0	37	-3.0	-210.81	349.94	1.48	-209.33
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000526481	0	37	-3.0	-198.40	349.85	1.07	-197.33
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000526482	0	40	-3.0	-200.60	365.49	3.79	-196.81
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526483	0	40	-3.0	-202.79	366.11	3.40	-199.39
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=CO1	REAL300000526484	0	29	-3.0	-203.32	305.49	2.07	-201.25
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)SC=C1	REAL300000526485	0	29	-3.0	-207.65	314.59	2.99	-204.66
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526486	0	37	-3.0	-196.80	344.26	2.92	-193.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C(O)C(C(=O)[O-])=C1	REAL300000526487	0	38	-3.0	-197.42	354.73	3.76	-193.66
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526488	0	34	-3.0	-199.00	333.60	-0.00	-199.00
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=NN1C(C)C	REAL300000526489	0	40	-3.0	-203.63	367.02	3.41	-200.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526490	0	33	-3.0	-198.90	329.88	2.68	-196.22
CC(C)C1CC(CS(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C1	REAL300000526491	0	44	-2.0	-110.95	374.87	5.28	-105.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526492	0	32	-3.0	-206.64	313.55	0.81	-205.83
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC(O)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526492	1	33	-2.0	-112.07	313.60	0.75	-111.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526493	0	27	-3.0	-193.19	288.18	1.25	-191.94
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000526494	0	36	-3.0	-215.98	343.33	3.24	-212.74
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C(C(=O)[O-])O1	REAL300000526495	0	36	-4.0	-271.84	353.13	4.20	-267.64
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C(Cl)S1	REAL300000526496	0	31	-3.0	-197.96	329.08	4.05	-193.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=C(O)C(C(=O)[O-])=C1	REAL300000526497	0	27	-3.0	-198.36	289.12	0.78	-197.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000526498	0	38	-3.0	-204.67	348.26	2.97	-201.70
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000526499	0	34	-3.0	-212.59	329.44	4.39	-208.20
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1	REAL300000526504	0	29	-2.0	-127.09	300.42	3.03	-124.06
O=C([O-])C1=CC(O)=C(Cl)C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000526505	0	32	-2.0	-107.28	324.73	2.42	-104.86
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000526505	1	31	-3.0	-169.11	321.18	3.18	-165.93
N#CC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1	REAL300000526507	1	30	-2.0	-105.56	308.58	3.86	-101.70
N#CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)C=C1	REAL300000526508	1	30	-2.0	-107.63	308.56	3.86	-103.77
N#CC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526510	1	30	-2.0	-106.65	304.20	3.38	-103.27
O=C([O-])C1=CC(O)=C(Cl)C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000526511	0	32	-2.0	-131.95	324.22	3.30	-128.65
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)C=C1[N+](=O)[O-]	REAL300000526514	1	34	-2.0	-126.39	331.86	4.66	-121.73
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)C=C1	REAL300000526518	0	32	-2.0	-104.34	319.65	3.28	-101.06
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526522	1	31	-2.0	-107.13	306.82	1.68	-105.45
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526524	0	32	-2.0	-98.00	319.78	3.27	-94.73
CC(=O)C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1	REAL300000526536	1	34	-2.0	-112.45	329.01	3.87	-108.58
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)C=C1	REAL300000526544	0	36	-2.0	-106.40	351.21	4.57	-101.83
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1	REAL300000526545	1	29	-2.0	-119.53	315.53	4.08	-115.45
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300000526546	1	26	-2.0	-110.79	300.88	2.38	-108.41
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)C=C1C(=O)[O-]	REAL300000526549	0	35	-2.0	-132.37	335.61	3.80	-128.57
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1	REAL300000526550	1	29	-2.0	-111.80	309.96	2.95	-108.85
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300000526553	1	31	-2.0	-103.07	316.02	4.14	-98.93
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526554	1	34	-2.0	-118.45	332.41	4.99	-113.46
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000526555	1	26	-2.0	-117.06	283.83	1.76	-115.30
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300000526557	1	31	-2.0	-130.05	312.99	4.17	-125.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)S1	REAL300000526571	1	29	-2.0	-118.23	305.72	2.56	-115.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1C	REAL300000526572	0	38	-2.0	-130.42	353.23	4.69	-125.73
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526574	0	32	-2.0	-97.19	324.02	2.96	-94.23
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526576	1	34	-2.0	-105.40	326.89	4.83	-100.57
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1	REAL300000526577	1	29	-2.0	-118.22	303.80	2.88	-115.34
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)C=C1	REAL300000526578	0	38	-2.0	-101.84	363.32	4.86	-96.98
O=C([O-])C1=CSC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526585	0	29	-2.0	-96.79	314.59	2.37	-94.42
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526585	1	28	-3.0	-179.46	313.54	2.33	-177.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526588	0	35	-2.0	-128.67	336.18	4.13	-124.54
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C=CS1	REAL300000526596	1	32	-2.0	-127.95	331.48	3.06	-124.89
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526603	0	35	-2.0	-131.85	344.77	1.35	-130.50
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526603	1	34	-3.0	-228.46	341.20	2.09	-226.37
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)N2CCC3=CC=CC=C3C2)=C1	REAL300000526613	1	38	-2.0	-111.43	340.98	4.58	-106.85
CN1C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)C=C1C(=O)[O-]	REAL300000526614	0	33	-2.0	-98.58	328.05	2.68	-95.90
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1Cl	REAL300000526615	0	29	-2.0	-124.98	309.39	2.33	-122.65
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1Cl	REAL300000526615	1	28	-3.0	-219.82	305.83	3.08	-216.74
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C=N1	REAL300000526622	1	29	-2.0	-114.77	296.44	0.46	-114.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526630	0	32	-2.0	-109.07	330.53	3.02	-106.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526630	1	31	-3.0	-174.84	329.50	3.00	-171.84
N#CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)C=C1Cl	REAL300000526631	1	30	-2.0	-110.16	323.92	4.26	-105.90
N#CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)=CC=C1Cl	REAL300000526632	1	30	-2.0	-113.75	323.98	4.27	-109.48
CC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)C=C1C(=O)[O-]	REAL300000526633	0	38	-2.0	-129.59	352.21	4.67	-124.92
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1	REAL300000526636	1	29	-2.0	-119.61	313.56	3.31	-116.30
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526643	1	34	-2.0	-130.03	330.23	5.11	-124.92
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=CS1	REAL300000526646	0	29	-2.0	-97.93	312.76	2.37	-95.56
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1	REAL300000526648	0	31	-2.0	-123.04	319.38	4.24	-118.80
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1	REAL300000526649	0	31	-2.0	-125.65	325.29	4.13	-121.52
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526652	1	33	-2.0	-107.26	317.50	1.96	-105.30
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CNN=C2)=C1	REAL300000526653	1	26	-2.0	-111.78	273.48	-0.85	-112.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526654	0	38	-2.0	-128.44	353.73	4.99	-123.45
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)S1	REAL300000526655	0	32	-2.0	-110.99	339.77	2.52	-108.47
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1	REAL300000526657	0	29	-2.0	-116.09	306.82	3.10	-112.99
CC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)C=C(C(=O)[O-])O1	REAL300000526658	0	32	-2.0	-128.06	322.25	2.02	-126.04
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1	REAL300000526659	1	32	-2.0	-139.94	320.09	1.96	-137.98
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1	REAL300000526662	0	31	-2.0	-133.70	317.92	4.39	-129.31
O=C([O-])C1=CC([O-])=C(Cl)C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1	REAL300000526662	1	30	-3.0	-234.52	314.35	5.14	-229.38
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000526663	1	36	-2.0	-115.94	352.46	3.88	-112.06
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526665	1	32	-2.0	-116.54	339.95	2.42	-114.12
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1	REAL300000526667	1	28	-2.0	-109.00	317.05	1.88	-107.12
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526668	0	29	-2.0	-126.45	295.91	1.85	-124.60
N#CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)C=N1	REAL300000526672	1	29	-2.0	-111.40	303.76	1.97	-109.43
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1	REAL300000526673	1	29	-2.0	-120.37	303.67	2.88	-117.49
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C(F)=C1	REAL300000526674	1	33	-2.0	-121.61	329.89	2.33	-119.28
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=CN1C	REAL300000526676	0	32	-2.0	-127.57	315.43	1.66	-125.91
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C=N1	REAL300000526679	1	32	-2.0	-114.68	317.98	1.32	-113.36
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526686	1	29	-2.0	-112.54	292.29	-0.20	-112.74
CN1C=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=N1	REAL300000526689	0	29	-2.0	-123.99	296.74	0.30	-123.69
CN1C=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)=N1	REAL300000526689	1	28	-3.0	-219.12	293.37	1.04	-218.08
CC1CC(C)CN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)C1	REAL300000526694	1	40	-2.0	-111.69	346.15	3.77	-107.92
CCCCN(C)S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526695	1	36	-2.0	-110.40	320.05	2.67	-107.73
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CNC=N2)=C1	REAL300000526698	0	26	-2.0	-124.34	273.20	0.15	-124.19
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)O1	REAL300000526699	0	32	-2.0	-110.90	331.44	1.55	-109.35
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)O1	REAL300000526699	1	31	-3.0	-202.68	327.88	2.31	-200.37
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1	REAL300000526701	1	29	-2.0	-109.25	310.07	2.95	-106.30
CC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)C=C(C(=O)[O-])S1	REAL300000526702	0	32	-2.0	-123.15	330.38	3.24	-119.91
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526706	0	35	-2.0	-126.91	350.06	0.34	-126.57
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526706	1	34	-3.0	-220.31	346.50	1.11	-219.20
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)N2CCOCC2)=C1	REAL300000526709	1	32	-2.0	-107.07	295.70	0.18	-106.89
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)SC=C1	REAL300000526711	1	29	-2.0	-118.40	300.13	2.58	-115.82
CC1CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)CC1	REAL300000526715	1	37	-2.0	-108.21	325.76	3.24	-104.97
CC(C)N(C)S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526716	1	33	-2.0	-108.55	300.60	1.91	-106.64
CC1=CC=C(C#N)C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526718	1	33	-2.0	-114.03	324.97	4.71	-109.32
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526721	1	33	-2.0	-120.25	329.54	3.22	-117.03
CC1=CC(C#N)=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526722	1	33	-2.0	-107.15	324.97	4.69	-102.46
CN(CC1CC1)S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526724	1	34	-2.0	-106.91	317.54	3.12	-103.79
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C=N1	REAL300000526727	1	35	-2.0	-114.78	336.66	1.84	-112.94
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C=N1	REAL300000526729	1	35	-2.0	-120.44	351.26	1.53	-118.91
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=CN1	REAL300000526730	0	35	-2.0	-124.28	335.70	1.21	-123.07
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C([N+](=O)[O-])=C1	REAL300000526731	1	32	-2.0	-119.07	333.72	4.56	-114.51
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)N2CCCCC2)=C1	REAL300000526732	1	34	-2.0	-110.01	304.53	2.60	-107.41
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)N2CCCC2)=C1	REAL300000526733	1	31	-2.0	-109.48	290.75	1.81	-107.67
O=C([O-])C1=CC(O)=C(Cl)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000526739	0	32	-2.0	-108.37	324.24	3.31	-105.06
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)S1	REAL300000526742	0	29	-2.0	-107.96	313.66	2.47	-105.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)S1	REAL300000526742	1	28	-3.0	-173.61	312.62	2.45	-171.16
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526743	0	38	-2.0	-126.23	356.44	4.02	-122.21
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526744	0	32	-2.0	-121.83	326.19	3.33	-118.50
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)C(F)=C1	REAL300000526746	0	32	-2.0	-97.37	323.99	2.97	-94.40
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)S1	REAL300000526750	1	31	-2.0	-114.50	317.13	1.32	-113.18
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526755	0	35	-2.0	-112.13	349.79	2.22	-109.91
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1	REAL300000526755	1	34	-3.0	-204.41	346.25	2.96	-201.45
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526761	0	32	-3.0	-174.55	324.47	1.87	-172.68
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526761	1	33	-2.0	-128.88	328.60	0.50	-128.38
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)C=C1	REAL300000526763	0	35	-2.0	-104.38	341.92	4.06	-100.32
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)O1	REAL300000526764	0	35	-2.0	-111.08	353.31	2.48	-108.60
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)O1	REAL300000526764	1	34	-3.0	-202.99	349.74	3.23	-199.76
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1	REAL300000526765	1	31	-2.0	-114.43	322.37	4.21	-110.22
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526766	0	32	-2.0	-102.79	328.83	3.80	-98.99
CCN(C)S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526767	1	30	-2.0	-108.35	279.17	1.24	-107.11
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)SC=C1	REAL300000526768	0	30	-2.0	-128.01	314.07	1.04	-126.97
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)OC2=CC=C(F)C=C12	REAL300000526769	0	35	-2.0	-116.21	348.65	3.87	-112.34
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)OC2=CC=C(F)C=C12	REAL300000526769	1	34	-3.0	-211.16	345.11	4.62	-206.54
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000526770	0	32	-2.0	-119.38	321.66	3.15	-116.23
O=C([O-])C1=CC([O-])=C(Cl)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000526770	1	31	-3.0	-214.29	318.09	3.91	-210.38
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526772	1	31	-2.0	-122.17	325.14	1.51	-120.66
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526773	1	29	-2.0	-106.35	306.87	1.71	-104.64
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)N=C1Cl	REAL300000526774	0	29	-2.0	-120.10	312.24	1.58	-118.52
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)N=C1Cl	REAL300000526774	1	28	-3.0	-216.24	308.67	2.33	-213.91
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1	REAL300000526776	1	30	-2.0	-121.64	307.73	1.50	-120.14
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)S1	REAL300000526778	0	28	-2.0	-113.93	300.43	0.58	-113.35
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526779	0	35	-2.0	-96.33	330.68	4.01	-92.32
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526781	0	35	-2.0	-104.46	336.16	4.13	-100.33
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C(F)=C1	REAL300000526782	0	30	-2.0	-115.34	321.20	3.43	-111.91
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=CC(C(=O)[O-])=C1C	REAL300000526784	0	38	-2.0	-98.34	352.27	4.32	-94.02
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1	REAL300000526787	1	28	-2.0	-114.84	310.86	2.20	-112.64
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526788	0	35	-2.0	-125.45	337.34	3.14	-122.31
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1	REAL300000526790	1	28	-2.0	-106.78	317.34	1.94	-104.84
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)C(C)=C1C(=O)[O-]	REAL300000526791	0	38	-2.0	-99.75	354.61	4.73	-95.02
CCC(=O)C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1	REAL300000526792	1	37	-2.0	-112.22	350.83	4.74	-107.48
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C=N1	REAL300000526793	1	36	-2.0	-112.89	351.65	0.37	-112.52
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C([N+](=O)[O-])=N1	REAL300000526794	0	34	-2.0	-121.43	342.21	3.60	-117.83
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)C([N+](=O)[O-])=N1	REAL300000526794	1	33	-3.0	-218.26	338.65	4.35	-213.91
CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)C=C1C(=O)[O-]	REAL300000526795	0	38	-2.0	-133.08	353.96	4.46	-128.62
CN(C1CCCC1)S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526796	1	37	-2.0	-107.44	322.71	3.16	-104.28
CC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1C#N	REAL300000526797	1	33	-2.0	-106.79	323.38	3.89	-102.90
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)S1	REAL300000526798	1	38	-2.0	-118.48	364.89	4.41	-114.07
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526799	0	35	-2.0	-125.28	339.22	3.52	-121.76
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300000526800	1	37	-2.0	-113.26	349.94	0.51	-112.75
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1	REAL300000526803	0	36	-2.0	-127.63	337.84	2.78	-124.85
COC1=CC=C([O-])C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526805	1	34	-2.0	-106.23	325.55	0.58	-105.65
CC1CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)C1	REAL300000526807	1	34	-2.0	-108.70	313.57	2.50	-106.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)O1	REAL300000526813	0	29	-2.0	-117.35	296.50	1.57	-115.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)O1	REAL300000526813	1	28	-3.0	-210.67	292.93	2.33	-208.34
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526814	1	32	-2.0	-118.93	324.11	3.12	-115.81
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)N=C1C	REAL300000526822	0	35	-2.0	-127.32	337.52	2.55	-124.77
CCN1C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)C=C1C(=O)[O-]	REAL300000526824	0	36	-2.0	-99.01	349.43	3.55	-95.46
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526825	0	32	-2.0	-115.44	331.78	1.50	-113.94
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1	REAL300000526825	1	31	-3.0	-207.83	328.21	2.25	-205.58
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526826	1	41	-2.0	-117.70	371.38	3.32	-114.38
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1	REAL300000526827	1	29	-2.0	-123.47	307.95	3.56	-119.91
COC1=CC(C#N)=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526829	1	34	-2.0	-106.53	335.98	3.20	-103.33
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)S1	REAL300000526830	0	31	-2.0	-113.42	321.91	1.33	-112.09
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)S1	REAL300000526832	0	30	-3.0	-205.39	326.46	3.85	-201.54
N#CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)C(Cl)=C1	REAL300000526836	1	30	-2.0	-101.65	320.56	4.05	-97.60
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1	REAL300000526839	0	26	-2.0	-111.03	296.28	1.49	-109.54
O=C([O-])C1=CC([O-])=C(Cl)C([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1	REAL300000526839	1	25	-3.0	-203.19	292.72	2.24	-200.95
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1	REAL300000526841	0	29	-2.0	-115.13	312.97	3.16	-111.97
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526845	1	29	-2.0	-111.36	320.89	2.98	-108.38
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1	REAL300000526847	1	32	-2.0	-113.49	329.82	1.65	-111.84
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1	REAL300000526851	0	28	-2.0	-124.23	304.59	3.16	-121.07
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=CO2)=C1	REAL300000526852	0	26	-2.0	-116.14	274.58	0.75	-115.39
O=C([O-])C1=CC([O-])=C(Cl)C([N-]S(=O)(=O)C2=CC=CO2)=C1	REAL300000526852	1	25	-3.0	-209.18	271.01	1.51	-207.67
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526853	1	28	-2.0	-102.99	285.32	-0.78	-103.77
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300000526855	1	28	-2.0	-100.53	310.33	3.28	-97.25
N#CC1=CC=C(Cl)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1	REAL300000526858	1	30	-2.0	-108.39	319.99	4.04	-104.35
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000526859	1	32	-2.0	-114.45	335.85	1.82	-112.63
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526861	1	37	-2.0	-132.98	345.88	3.27	-129.71
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)S1	REAL300000526876	0	32	-2.0	-120.71	336.86	0.24	-120.47
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C(N)=NO1	REAL300000526881	0	30	-2.0	-106.69	299.46	0.14	-106.55
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)S1	REAL300000526888	0	26	-3.0	-200.56	300.85	3.06	-197.50
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)=CC=C1C#N	REAL300000526891	1	33	-2.0	-107.12	327.56	4.36	-102.76
COC1CN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)C1	REAL300000526897	1	32	-2.0	-110.43	310.53	-0.01	-110.44
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)O1	REAL300000526900	0	26	-3.0	-200.01	292.26	2.06	-197.95
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)O1	REAL300000526900	1	27	-2.0	-108.62	295.83	1.30	-107.32
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=CC=C1C(=O)[O-]	REAL300000526903	0	35	-2.0	-102.00	336.15	3.85	-98.15
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1	REAL300000526905	1	29	-2.0	-118.16	314.13	3.33	-114.83
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526907	0	40	-2.0	-120.69	369.97	4.04	-116.65
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526907	1	39	-3.0	-213.64	366.40	4.79	-208.85
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1	REAL300000526912	1	29	-2.0	-119.16	314.23	3.62	-115.54
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1	REAL300000526915	0	26	-2.0	-118.66	299.88	2.21	-116.45
CC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526916	1	29	-2.0	-117.18	305.47	2.42	-114.76
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CNN=C2Cl)=C1	REAL300000526917	1	26	-2.0	-111.94	290.18	-0.44	-112.38
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1	REAL300000526918	1	28	-2.0	-110.97	298.80	0.87	-110.10
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1	REAL300000526922	0	32	-2.0	-113.38	328.07	3.22	-110.16
O=C([O-])C1=CC([O-])=C(Cl)C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1	REAL300000526922	1	31	-3.0	-206.76	324.51	3.98	-202.78
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526923	1	34	-2.0	-126.63	333.05	2.34	-124.29
CC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000526924	0	28	-2.0	-110.22	300.39	1.06	-109.16
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000526928	0	26	-2.0	-121.81	290.18	1.80	-120.01
O=C([O-])C1=CC([O-])=C(Cl)C([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000526928	1	25	-3.0	-214.56	286.61	2.57	-211.99
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C(C(F)(F)F)=N1	REAL300000526929	1	32	-2.0	-115.70	330.54	1.61	-114.09
N#CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)C=C1F	REAL300000526931	1	30	-2.0	-111.59	314.41	3.90	-107.69
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1	REAL300000526936	1	34	-2.0	-123.42	328.89	-0.32	-123.74
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)S1	REAL300000526937	1	32	-2.0	-119.30	322.01	3.39	-115.91
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1	REAL300000526938	1	30	-2.0	-103.35	311.29	2.33	-101.02
COCCN(C)S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000526941	1	34	-2.0	-106.23	309.14	0.43	-105.80
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)N2CC3CCC2C3)=C1	REAL300000526942	1	35	-2.0	-112.96	314.92	3.01	-109.95
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526946	1	32	-2.0	-115.35	315.28	1.11	-114.24
N#CC1=CN=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1	REAL300000526947	1	29	-2.0	-106.68	303.67	2.07	-104.61
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1	REAL300000526951	1	29	-2.0	-112.87	307.55	0.29	-112.58
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1	REAL300000526952	0	35	-2.0	-109.71	338.19	2.68	-107.03
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000526954	1	36	-2.0	-126.10	343.69	3.21	-122.89
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)S1	REAL300000526956	1	33	-2.0	-128.14	343.48	-0.60	-128.74
O=C([O-])C1=CC(O)=C(Cl)C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000526957	0	32	-2.0	-114.78	322.17	2.92	-111.86
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1	REAL300000526958	0	26	-2.0	-121.22	291.26	0.75	-120.47
O=C([O-])C1=CC([O-])=C(Cl)C([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1	REAL300000526958	1	25	-3.0	-215.25	287.69	1.51	-213.74
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C(F)=C1	REAL300000526970	0	32	-2.0	-125.67	321.81	3.71	-121.96
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1	REAL300000526971	1	28	-2.0	-109.53	316.94	1.94	-107.59
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000526977	1	28	-2.0	-107.21	288.85	0.72	-106.49
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1	REAL300000526979	1	35	-2.0	-130.50	335.77	4.43	-126.07
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C([N+](=O)[O-])S1	REAL300000526980	0	31	-2.0	-123.95	326.48	3.95	-120.00
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000526982	1	28	-2.0	-119.45	292.40	0.93	-118.52
N#CC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)C=CS1	REAL300000526987	1	27	-2.0	-104.12	296.75	2.48	-101.64
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)N2CCCOCC2)=C1	REAL300000526988	1	35	-2.0	-108.96	310.65	1.01	-107.95
COC1CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)CC1	REAL300000526993	1	38	-2.0	-113.50	336.92	1.58	-111.92
CCC1CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)CC1	REAL300000526997	1	40	-2.0	-111.57	343.54	3.83	-107.74
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C(=O)NC1=O	REAL300000526999	1	32	-2.0	-119.14	320.31	-0.55	-119.69
CC(C)OC1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)CCOC1	REAL300000527000	1	43	-2.0	-120.94	368.53	1.74	-119.20
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)N(C)N=C1	REAL300000527001	0	35	-2.0	-117.30	341.13	1.83	-115.47
CCC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=CN1CC1CC1	REAL300000527007	0	42	-2.0	-127.46	390.76	4.70	-122.76
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)O1	REAL300000527008	0	35	-2.0	-111.47	349.33	2.13	-109.34
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)O1	REAL300000527008	1	34	-3.0	-203.81	345.77	2.89	-200.92
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300000527009	0	32	-2.0	-114.36	331.65	2.26	-112.10
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527010	1	32	-2.0	-102.79	333.51	1.39	-101.40
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1	REAL300000527011	1	28	-2.0	-111.77	309.26	1.36	-110.41
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)OC=C1	REAL300000527014	0	32	-2.0	-124.88	324.03	2.21	-122.67
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)OC=C1	REAL300000527014	1	31	-3.0	-220.07	320.45	2.97	-217.10
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=N1	REAL300000527016	0	31	-2.0	-129.98	318.99	1.74	-128.24
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)=N1	REAL300000527016	1	30	-3.0	-227.47	315.42	2.50	-224.97
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C(C)=N1	REAL300000527017	1	41	-2.0	-115.25	379.81	3.52	-111.73
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000527018	0	30	-3.0	-184.63	316.57	1.44	-183.19
O=C([O-])C1=CC=NC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000527018	1	31	-2.0	-122.16	315.89	1.37	-120.79
N#CC1=CC(F)=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1	REAL300000527020	1	30	-2.0	-109.64	314.93	3.91	-105.73
CN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1C(F)(F)F	REAL300000527021	1	32	-2.0	-111.82	325.04	1.38	-110.44
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C(C(C)(C)C)=N1	REAL300000527025	1	41	-2.0	-114.34	360.15	3.36	-110.98
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1	REAL300000527027	1	39	-2.0	-114.88	359.30	3.10	-111.78
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527028	1	32	-2.0	-107.86	326.19	1.66	-106.20
O=C([O-])C1=CC(O)=C(Cl)C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300000527030	0	30	-2.0	-100.39	302.49	1.36	-99.03
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527032	0	32	-2.0	-131.37	322.90	0.42	-130.95
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000527032	1	31	-3.0	-227.66	319.34	1.18	-226.48
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527033	1	35	-2.0	-115.58	334.75	1.91	-113.67
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)C(C#N)=C1	REAL300000527036	1	33	-2.0	-106.32	325.58	4.04	-102.28
CC1=CC=CC(C#N)=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000527037	1	33	-2.0	-115.12	322.50	4.38	-110.74
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000527042	0	29	-2.0	-106.86	311.14	-1.44	-108.30
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1	REAL300000527042	1	28	-3.0	-198.09	307.58	-0.68	-198.77
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000527044	0	25	-2.0	-109.99	278.64	0.46	-109.53
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)=C(Cl)O1	REAL300000527051	0	29	-2.0	-117.48	319.15	1.85	-115.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C(Cl)O1	REAL300000527051	1	28	-3.0	-172.05	320.47	2.28	-169.77
N#CC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1F	REAL300000527054	1	30	-2.0	-125.27	312.33	3.51	-121.76
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)N=N1	REAL300000527055	0	28	-2.0	-118.84	290.69	-0.92	-119.76
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)N=N1	REAL300000527055	1	27	-3.0	-211.01	287.13	-0.16	-211.17
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1	REAL300000527056	1	36	-2.0	-114.93	341.79	2.43	-112.50
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1	REAL300000527060	0	26	-2.0	-116.09	296.00	1.35	-114.74
O=C([O-])C1=CC([O-])=C(Cl)C([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1	REAL300000527060	1	25	-3.0	-207.76	288.99	2.24	-205.52
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)S1	REAL300000527066	0	37	-2.0	-114.57	360.58	2.42	-112.15
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527068	0	33	-2.0	-120.07	328.37	3.41	-116.66
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527071	0	34	-2.0	-131.99	332.58	2.37	-129.62
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527072	1	31	-2.0	-103.61	307.13	0.09	-103.52
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)=C1	REAL300000527073	1	38	-2.0	-110.26	333.88	3.53	-106.73
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1	REAL300000527075	1	32	-2.0	-120.15	330.74	4.19	-115.96
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=COC3=CC=CC=C32)=C1	REAL300000527079	1	32	-2.0	-119.91	321.67	3.04	-116.87
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C(C2CCCC2)=N1	REAL300000527080	1	42	-2.0	-119.46	380.65	3.67	-115.79
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C(C2CC2)=N1	REAL300000527081	1	36	-2.0	-118.36	347.19	2.68	-115.68
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1	REAL300000527083	0	32	-2.0	-125.79	321.33	1.96	-123.83
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527087	0	29	-2.0	-114.61	309.19	-1.37	-115.98
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)N=CN1	REAL300000527088	0	29	-2.0	-125.14	291.00	0.86	-124.28
CC1(C)CCCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)C1	REAL300000527089	1	40	-2.0	-113.07	325.45	3.11	-109.96
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C(C2CCC2)=N1	REAL300000527091	1	39	-2.0	-118.78	363.42	3.17	-115.61
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1	REAL300000527093	1	39	-2.0	-115.35	365.87	3.41	-111.94
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1	REAL300000527094	1	33	-2.0	-123.94	330.02	3.87	-120.07
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000527096	1	35	-2.0	-108.17	348.17	1.11	-107.06
N#CC1=CC=C(F)C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000527097	1	30	-2.0	-106.83	310.60	3.45	-103.38
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)=C1	REAL300000527099	1	35	-2.0	-110.15	314.52	2.81	-107.34
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527101	1	38	-2.0	-109.06	338.86	2.66	-106.40
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C=N1	REAL300000527102	1	38	-2.0	-115.80	356.39	2.48	-113.32
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1	REAL300000527103	1	36	-2.0	-115.58	340.48	1.86	-113.72
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)N2CCC(F)(F)CC2)=C1	REAL300000527107	1	34	-2.0	-106.85	315.90	2.71	-104.14
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1	REAL300000527110	1	40	-2.0	-111.95	372.33	5.50	-106.45
N#CC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1Cl	REAL300000527113	1	30	-2.0	-102.39	318.69	3.93	-98.46
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C=CS1	REAL300000527115	1	30	-2.0	-122.62	314.16	1.21	-121.41
CN(C(C)(C)C)S(=O)(=O)NC1=CC(C(=O)[O-])=CC([O-])=C1Cl	REAL300000527120	1	36	-2.0	-107.65	311.16	2.85	-104.80
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)O1	REAL300000527122	0	32	-2.0	-117.20	317.98	2.36	-114.84
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)O1	REAL300000527122	1	31	-3.0	-210.69	314.42	3.12	-207.57
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1	REAL300000527123	0	29	-2.0	-109.43	315.75	1.98	-107.45
O=C([O-])C1=CC([O-])=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1	REAL300000527123	1	28	-3.0	-201.01	312.19	2.74	-198.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)S1	REAL300000527127	1	30	-2.0	-114.65	315.69	1.21	-113.44
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300000527128	1	32	-2.0	-112.05	324.57	1.45	-110.60
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1	REAL300000527130	1	42	-2.0	-114.66	378.29	3.71	-110.95
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=N1	REAL300000527134	0	31	-2.0	-114.39	312.64	-0.37	-114.76
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)=N1	REAL300000527134	1	30	-3.0	-206.61	309.07	0.39	-206.22
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1Cl	REAL300000527135	1	32	-2.0	-112.59	333.56	1.68	-110.91
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1	REAL300000527136	0	26	-2.0	-110.69	291.65	1.37	-109.32
O=C([O-])C1=CC([O-])=C(Cl)C([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1	REAL300000527136	1	25	-3.0	-202.64	288.09	2.13	-200.51
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1	REAL300000527141	1	33	-2.0	-118.41	335.72	4.08	-114.33
N#CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)C=C1[N+](=O)[O-]	REAL300000527142	0	32	-2.0	-100.65	333.12	4.28	-96.37
CC1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000527144	0	29	-2.0	-116.59	296.48	1.43	-115.16
CC1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1	REAL300000527144	1	28	-3.0	-209.75	292.92	2.18	-207.57
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=NN1	REAL300000527145	0	35	-2.0	-114.94	352.10	0.57	-114.37
COC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1OC	REAL300000527146	0	34	-2.0	-120.71	344.90	0.77	-119.94
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527148	1	35	-2.0	-115.03	336.32	2.69	-112.34
CN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1Cl	REAL300000527150	1	29	-2.0	-112.35	311.75	0.81	-111.54
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)OC=C1	REAL300000527152	0	27	-2.0	-119.38	296.05	1.21	-118.17
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)OC=C1	REAL300000527152	1	26	-3.0	-210.87	292.49	1.96	-208.91
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C(C2CC2)=N1	REAL300000527155	1	39	-2.0	-118.65	368.71	3.55	-115.10
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C(=O)NC(=O)N1	REAL300000527157	0	32	-2.0	-117.83	314.96	-1.51	-119.34
CC(=O)OC1CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)C1	REAL300000527158	1	37	-2.0	-110.36	345.99	2.59	-107.77
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000527159	1	42	-2.0	-113.45	378.59	3.97	-109.48
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300000527160	1	26	-2.0	-114.07	290.64	1.26	-112.81
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1	REAL300000527161	1	26	-2.0	-111.57	300.70	2.27	-109.30
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527162	1	37	-2.0	-111.03	344.17	0.50	-110.53
CC1(C)CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC([O-])=C2Cl)CC1	REAL300000527164	1	40	-2.0	-111.24	338.81	3.47	-107.77
O=C([O-])C1=CC([O-])=C(Cl)C(NS(=O)(=O)N2CCN(CC(F)F)CC2)=C1	REAL300000527165	1	39	-2.0	-107.85	350.03	1.25	-106.60
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527167	1	35	-2.0	-122.33	339.31	0.58	-121.75
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527168	1	32	-2.0	-115.87	334.62	0.43	-115.44
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)C=N1	REAL300000527170	1	38	-2.0	-114.72	354.84	2.90	-111.82
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527171	1	38	-2.0	-115.89	355.50	2.49	-113.40
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)SC=C1	REAL300000527173	0	27	-2.0	-123.50	303.95	2.11	-121.39
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)SC=C1	REAL300000527173	1	26	-3.0	-215.05	300.38	2.85	-212.20
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC([O-])=C2Cl)=C1	REAL300000527175	0	31	-3.0	-221.83	330.22	5.31	-216.52
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300000527177	1	36	-2.0	-116.14	343.85	3.98	-112.16
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(O)=C2Cl)=C1	REAL300000527178	1	32	-2.0	-113.94	322.98	-0.90	-114.84
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1	REAL300000527184	1	32	-2.0	-128.17	331.57	3.75	-124.42
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000527185	1	25	-2.0	-107.79	277.55	0.35	-107.44
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000527186	0	33	-2.0	-127.80	339.79	2.02	-125.78
O=C([O-])C1=CC([O-])=C(Cl)C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000527186	1	32	-3.0	-224.37	336.39	2.78	-221.59
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(O)=C1Cl	REAL300000527187	1	34	-2.0	-125.90	332.69	2.35	-123.55
CCC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(O)=C2Cl)C=C(C(=O)[O-])O1	REAL300000527189	0	35	-2.0	-116.58	345.74	3.20	-113.38
O=C([O-])C1=CC(O)=C(Cl)C([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000527192	0	25	-2.0	-112.69	278.48	-0.13	-112.82
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527195	0	37	-3.0	-209.91	357.32	4.31	-205.60
COC(=O)C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527195	1	38	-2.0	-110.69	357.34	4.26	-106.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527196	0	36	-3.0	-204.82	338.45	3.50	-201.32
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3OCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527196	1	37	-2.0	-112.23	338.59	3.46	-108.77
O=C([O-])C1=CC(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)=C(O)C(C(=O)[O-])=C1	REAL300000527197	0	40	-2.0	-114.23	358.69	6.08	-108.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527198	0	31	-3.0	-215.59	311.04	3.93	-211.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527199	0	33	-4.0	-266.24	336.00	3.37	-262.87
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527199	1	34	-3.0	-169.10	336.04	3.32	-165.78
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527200	0	30	-3.0	-193.52	314.39	2.29	-191.23
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527201	0	32	-3.0	-202.19	323.36	4.05	-198.14
N#CC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527201	1	33	-2.0	-108.13	323.39	4.00	-104.13
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527202	0	32	-3.0	-197.07	323.34	4.05	-193.02
N#CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527202	1	33	-2.0	-110.21	323.37	4.00	-106.21
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527203	0	31	-3.0	-201.92	324.76	4.24	-197.68
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527204	0	32	-3.0	-215.66	320.63	3.95	-211.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527205	0	33	-4.0	-278.46	335.53	4.25	-274.21
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527205	1	34	-3.0	-169.69	335.53	4.19	-165.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1[N+](=O)[O-]	REAL300000527206	0	36	-3.0	-204.51	346.73	4.85	-199.66
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1[N+](=O)[O-]	REAL300000527206	1	37	-2.0	-106.10	346.32	4.78	-101.32
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527207	0	34	-3.0	-198.75	318.72	1.48	-197.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527208	0	41	-3.0	-209.72	365.26	6.14	-203.58
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3CCCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527208	1	42	-2.0	-113.60	365.37	6.10	-107.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527209	0	33	-4.0	-265.63	330.97	4.23	-261.40
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527209	1	34	-3.0	-178.06	330.93	4.17	-173.89
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527210	0	39	-3.0	-216.98	360.27	2.74	-214.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1OC	REAL300000527211	0	39	-3.0	-204.03	361.26	2.86	-201.17
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1OC	REAL300000527211	1	40	-2.0	-115.19	361.29	2.81	-112.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527212	0	38	-3.0	-209.60	348.05	5.57	-204.03
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3CCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527212	1	39	-2.0	-115.49	348.12	5.52	-109.97
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527213	0	33	-3.0	-192.38	315.62	2.61	-189.77
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527214	0	33	-4.0	-283.40	331.00	4.22	-279.18
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527214	1	34	-3.0	-172.79	331.02	4.16	-168.63
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527215	0	31	-3.0	-193.98	315.23	3.78	-190.20
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(F)C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527215	1	32	-2.0	-114.38	315.30	3.74	-110.64
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527216	0	34	-3.0	-208.28	323.94	4.33	-203.95
CC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527216	1	35	-2.0	-112.50	324.01	4.27	-108.23
O=C([O-])C1=CC(NS(=O)(=O)C=CC2=CC=CC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527217	0	36	-2.0	-115.90	336.10	4.85	-111.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527218	0	31	-3.0	-202.40	319.26	4.18	-198.22
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527218	1	32	-2.0	-108.11	319.33	4.14	-103.97
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527219	0	36	-3.0	-204.03	345.28	4.15	-199.88
CC(=O)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527219	1	37	-2.0	-109.57	345.27	4.09	-105.48
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527220	0	37	-3.0	-208.94	339.43	5.10	-203.84
CC1=CC=C(C)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527220	1	38	-2.0	-113.51	340.41	5.12	-108.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000527221	0	37	-3.0	-209.44	340.95	4.86	-204.58
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000527221	1	38	-2.0	-113.48	340.98	4.81	-108.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527222	0	31	-3.0	-194.52	325.12	4.23	-190.29
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527222	1	32	-2.0	-112.85	325.19	4.18	-108.67
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527223	0	36	-3.0	-218.59	343.02	4.04	-214.55
CC(=O)C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527223	1	37	-2.0	-113.75	343.04	3.99	-109.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000527224	0	37	-3.0	-208.17	339.43	5.10	-203.07
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000527224	1	38	-2.0	-112.46	340.48	5.13	-107.33
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527225	0	37	-3.0	-223.41	347.77	5.04	-218.37
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527226	0	43	-3.0	-206.66	378.75	5.97	-200.69
CC(C)(C)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527226	1	44	-2.0	-113.52	378.77	5.93	-107.59
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527227	0	40	-3.0	-206.58	362.78	5.58	-201.00
CC(C)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527227	1	41	-2.0	-113.23	362.86	5.54	-107.69
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527228	0	43	-3.0	-206.33	381.22	6.25	-200.08
CCC(C)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527228	1	44	-2.0	-113.28	381.23	6.20	-107.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C(O)C(C(=O)[O-])=C1	REAL300000527229	0	28	-3.0	-196.47	311.51	3.28	-193.19
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527230	0	40	-3.0	-206.48	366.92	5.88	-200.60
CCCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527230	1	41	-2.0	-112.59	367.00	5.83	-106.76
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527231	0	35	-3.0	-215.62	330.79	3.44	-212.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000527232	0	36	-4.0	-287.50	347.01	4.75	-282.75
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000527232	1	37	-3.0	-171.18	350.04	4.79	-166.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527233	0	31	-3.0	-199.00	320.59	3.85	-195.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000527234	0	31	-3.0	-208.48	315.67	4.21	-204.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527235	0	33	-3.0	-202.24	330.75	4.33	-197.91
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527236	0	36	-3.0	-202.46	346.24	5.10	-197.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CS2)=C(O)C(C(=O)[O-])=C1	REAL300000527237	0	28	-3.0	-203.78	294.46	2.66	-201.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527238	0	35	-3.0	-203.96	332.02	2.96	-201.00
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527238	1	36	-2.0	-111.58	332.07	2.91	-108.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C(O)C(C(=O)[O-])=C1	REAL300000527239	0	33	-3.0	-221.68	323.63	5.08	-216.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527240	0	34	-3.0	-207.45	323.94	4.34	-203.11
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527240	1	35	-2.0	-112.97	324.04	4.29	-108.68
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527241	0	38	-3.0	-203.62	353.87	3.88	-199.74
CCOC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527241	1	39	-2.0	-111.55	353.95	3.83	-107.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527242	0	31	-3.0	-200.87	314.44	3.79	-197.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527243	0	31	-3.0	-202.41	308.94	3.73	-198.68
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527243	1	32	-2.0	-107.86	309.00	3.67	-104.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527244	0	31	-3.0	-195.08	315.35	3.80	-191.28
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1C	REAL300000527245	0	43	-3.0	-209.72	366.04	6.35	-203.37
CC1=CC(C)=C(C)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1C	REAL300000527245	1	44	-2.0	-111.29	365.04	5.97	-105.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527246	0	37	-3.0	-206.34	347.02	2.82	-203.52
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3OCCOC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527246	1	38	-2.0	-113.22	347.05	2.76	-110.46
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000527247	0	40	-3.0	-208.66	354.08	6.00	-202.66
CC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000527247	1	41	-2.0	-111.65	349.96	5.83	-105.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527248	0	31	-3.0	-198.75	319.26	4.18	-194.57
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(Cl)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527248	1	32	-2.0	-109.64	319.35	4.13	-105.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527249	0	33	-3.0	-191.32	330.77	4.33	-186.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527250	0	31	-3.0	-207.34	302.53	3.66	-203.68
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527250	1	32	-2.0	-112.56	302.59	3.62	-108.94
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527251	0	38	-3.0	-212.09	358.87	2.55	-209.54
CC(=O)NC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527251	1	39	-2.0	-114.16	358.54	2.51	-111.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000527252	0	31	-3.0	-205.15	316.36	3.46	-201.69
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(O)C(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000527253	0	33	-4.0	-281.06	336.47	4.28	-276.78
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527254	0	36	-3.0	-200.93	340.77	4.92	-196.01
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527254	1	37	-2.0	-107.73	341.70	4.96	-102.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527255	0	31	-3.0	-205.56	314.44	3.79	-201.77
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527256	0	35	-3.0	-199.97	338.28	0.48	-199.49
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527256	1	36	-2.0	-115.76	338.29	0.42	-115.34
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527257	0	35	-3.0	-203.95	342.73	4.68	-199.27
CSC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527257	1	36	-2.0	-111.14	342.77	4.63	-106.51
O=C([O-])C1=CC(C(=O)[O-])=C(O)C([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1	REAL300000527258	0	36	-3.0	-201.93	344.55	2.11	-199.82
O=C([O-])C1=CC(C(=O)[O-])=C(O)C(NS(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1	REAL300000527258	1	37	-2.0	-112.19	344.64	2.06	-110.13
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527259	0	30	-4.0	-274.13	324.18	3.23	-270.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527260	0	34	-3.0	-199.66	334.28	1.16	-198.50
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527260	1	35	-2.0	-108.00	334.20	1.11	-106.89
COC(=O)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527261	0	33	-3.0	-198.84	321.21	2.24	-196.60
COC(=O)CCS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527261	1	34	-2.0	-114.82	323.55	2.16	-112.66
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527262	0	36	-4.0	-284.02	346.43	5.01	-279.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527262	1	37	-3.0	-201.31	347.42	5.03	-196.28
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527263	0	37	-3.0	-202.87	340.15	2.74	-200.13
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527264	0	37	-3.0	-199.72	357.30	4.32	-195.40
COC(=O)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527264	1	38	-2.0	-110.69	357.33	4.27	-106.42
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527265	0	38	-3.0	-204.14	358.96	1.94	-202.20
CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527265	1	39	-2.0	-110.93	359.00	1.89	-109.04
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527266	0	35	-3.0	-203.95	337.03	0.44	-203.51
NC(=O)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527266	1	36	-2.0	-110.59	337.07	0.39	-110.20
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527267	0	37	-3.0	-206.78	345.43	5.10	-201.68
CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527267	1	38	-2.0	-112.76	345.53	5.05	-107.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527268	0	37	-3.0	-210.93	348.48	5.94	-204.99
O=C([O-])C1=CC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527268	1	38	-2.0	-116.45	348.27	5.87	-110.58
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527269	0	41	-3.0	-205.41	379.09	4.17	-201.24
COCCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527269	1	42	-2.0	-113.12	379.17	4.12	-109.00
COC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000527270	0	42	-2.0	-111.11	358.20	4.46	-106.65
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000527270	1	41	-3.0	-204.14	361.63	4.57	-199.57
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527271	0	43	-3.0	-206.95	383.74	6.35	-200.60
CC(C)CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527271	1	44	-2.0	-112.81	383.71	6.29	-106.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527272	0	31	-3.0	-197.70	308.93	3.73	-193.97
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527272	1	32	-2.0	-109.72	309.02	3.68	-106.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527273	0	31	-3.0	-211.77	308.03	3.71	-208.06
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527274	0	37	-3.0	-220.54	355.41	2.24	-218.30
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527275	0	41	-3.0	-203.13	375.37	4.68	-198.45
CCCOC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527275	1	42	-2.0	-111.53	375.45	4.63	-106.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(Cl)=C1	REAL300000527276	0	34	-3.0	-208.23	337.07	4.89	-203.34
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527277	0	34	-3.0	-198.38	324.42	4.50	-193.88
CC1=CC(F)=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527277	1	35	-2.0	-109.15	325.46	4.54	-104.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000527278	0	31	-3.0	-198.16	322.06	4.29	-193.87
O=C([O-])C1=CC(NS(=O)(=O)N2CCC3=CC=CC=C3C2)=C(O)C(C(=O)[O-])=C1	REAL300000527279	0	41	-2.0	-112.38	355.78	4.72	-107.66
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000527280	0	34	-4.0	-281.04	337.64	3.56	-277.48
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000527281	0	31	-3.0	-212.58	320.00	3.22	-209.36
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C(N)=O	REAL300000527282	0	36	-3.0	-201.97	344.48	-0.18	-202.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000527283	0	35	-3.0	-201.23	338.24	3.03	-198.20
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000527283	1	36	-2.0	-119.04	338.29	2.98	-116.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000527284	0	38	-3.0	-205.39	352.09	3.70	-201.69
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000527284	1	39	-2.0	-114.78	352.11	3.65	-111.13
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000527285	0	41	-3.0	-205.03	373.97	4.63	-200.40
CCOC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000527285	1	42	-2.0	-114.62	373.96	4.57	-110.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C(N)=O	REAL300000527286	0	38	-3.0	-199.37	353.12	1.12	-198.25
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C(N)=O	REAL300000527286	1	39	-2.0	-112.31	353.25	1.09	-111.22
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527287	0	31	-3.0	-200.70	307.08	1.36	-199.34
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527288	0	36	-3.0	-191.94	346.24	5.10	-186.84
O=C([O-])C1=CC(NS(=O)(=O)CCC2=CC=CC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527289	0	38	-2.0	-111.89	349.50	5.14	-106.75
O=C([O-])C1=CC([N-]S(=O)(=O)CCC2=CC=CC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527289	1	37	-3.0	-202.98	347.16	5.21	-197.77
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN1C	REAL300000527290	0	39	-3.0	-202.59	366.41	1.31	-201.28
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527291	0	34	-3.0	-203.15	334.75	4.95	-198.20
CC1=CC=C(Cl)C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527291	1	35	-2.0	-112.52	335.78	4.99	-107.53
O=C([O-])C1=CC([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527292	0	38	-3.0	-196.80	362.05	4.09	-192.71
O=C([O-])C1=CC(NS(=O)(=O)CCOC2=CC=C(F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527292	1	39	-2.0	-110.87	364.39	4.01	-106.86
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000527293	0	41	-3.0	-205.24	376.11	4.54	-200.70
COC1=C(C)C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000527293	1	42	-2.0	-113.89	376.11	4.49	-109.40
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000527294	0	32	-3.0	-193.20	338.74	4.47	-188.73
N#CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000527294	1	33	-2.0	-113.75	338.74	4.40	-109.35
N#CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000527295	0	32	-3.0	-194.16	338.76	4.47	-189.69
N#CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000527295	1	33	-2.0	-117.13	338.75	4.40	-112.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527296	0	35	-3.0	-211.51	340.89	4.03	-207.48
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527296	1	36	-2.0	-110.96	340.88	3.98	-106.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000527297	0	34	-3.0	-203.36	337.99	4.78	-198.58
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000527297	1	35	-2.0	-108.57	338.07	4.72	-103.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527298	0	31	-3.0	-208.00	324.20	4.22	-203.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000527299	0	34	-3.0	-202.80	329.25	4.37	-198.43
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000527299	1	35	-2.0	-108.08	329.32	4.32	-103.76
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527300	0	34	-3.0	-199.51	334.75	4.95	-194.56
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527300	1	35	-2.0	-109.25	335.79	4.98	-104.27
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527301	0	34	-3.0	-212.59	329.44	4.39	-208.20
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527302	0	34	-3.0	-203.10	324.42	4.50	-198.60
CC1=CC=C(F)C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527302	1	35	-2.0	-113.55	325.44	4.54	-109.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527303	0	37	-3.0	-205.19	362.58	5.73	-199.46
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(CCCl)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527303	1	38	-2.0	-112.14	362.66	5.67	-106.47
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527304	0	36	-3.0	-224.93	336.16	5.91	-219.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C(C(=O)[O-])=CC(C(=O)[O-])=C2)=CS1	REAL300000527305	0	30	-4.0	-276.72	322.64	3.25	-273.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000527306	0	38	-3.0	-204.71	347.49	3.73	-200.98
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000527306	1	39	-2.0	-111.88	348.53	3.77	-108.11
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000527307	0	41	-3.0	-206.57	367.14	4.48	-202.09
COC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000527307	1	42	-2.0	-112.79	365.60	4.05	-108.74
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527308	0	35	-3.0	-210.20	333.72	2.01	-208.19
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527309	0	28	-3.0	-196.89	284.11	0.05	-196.84
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C(O)C(C(=O)[O-])=C1	REAL300000527310	0	35	-3.0	-196.30	340.35	4.03	-192.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527311	0	31	-3.0	-203.00	317.44	4.00	-199.00
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C(C(=O)[O-])O1	REAL300000527312	0	33	-4.0	-271.19	334.00	3.36	-267.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C(O)C(C(=O)[O-])=C1	REAL300000527313	0	34	-3.0	-229.43	330.73	2.86	-226.57
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527314	0	41	-3.0	-218.39	374.05	5.03	-213.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527315	0	30	-3.0	-194.26	303.94	1.93	-192.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=C(O)C(C(=O)[O-])=C1	REAL300000527316	0	36	-3.0	-209.11	338.70	4.09	-205.02
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC3=NC=CC=C32)=C(O)C(C(=O)[O-])=C1	REAL300000527316	1	37	-2.0	-111.19	337.50	3.65	-107.54
CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527317	0	31	-3.0	-213.06	306.55	2.76	-210.30
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000527318	0	41	-3.0	-204.38	369.35	4.66	-199.72
CCOC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1	REAL300000527318	1	42	-2.0	-112.03	370.33	4.69	-107.34
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)C=C12	REAL300000527319	0	35	-3.0	-191.37	342.28	0.64	-190.73
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527320	0	31	-3.0	-191.44	318.48	2.17	-189.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527321	0	31	-3.0	-208.92	314.30	3.78	-205.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C(O)C(C(=O)[O-])=C1	REAL300000527322	0	37	-3.0	-213.48	345.67	3.31	-210.17
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN1C	REAL300000527323	0	34	-3.0	-216.15	326.23	2.54	-213.61
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527324	0	34	-3.0	-200.62	328.61	2.22	-198.40
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527325	0	38	-3.0	-209.50	357.60	3.37	-206.13
COCC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527325	1	39	-2.0	-112.32	357.67	3.33	-108.99
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527326	0	36	-3.0	-204.89	338.51	2.96	-201.93
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3COCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527326	1	37	-2.0	-111.67	338.56	2.91	-108.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000527327	0	31	-3.0	-202.49	322.06	4.29	-198.20
O=C([O-])C1=CC([N-]S(=O)(=O)CCOCC(F)(F)F)=C(O)C(C(=O)[O-])=C1	REAL300000527328	0	34	-3.0	-195.82	340.85	1.91	-193.91
O=C([O-])C1=CC(NS(=O)(=O)CCOCC(F)(F)F)=C(O)C(C(=O)[O-])=C1	REAL300000527328	1	35	-2.0	-112.63	343.19	1.83	-110.80
CC1CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CC=C2O1	REAL300000527329	0	39	-3.0	-205.06	359.45	4.26	-200.80
CC1CC2=CC(S(=O)(=O)NC3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CC=C2O1	REAL300000527329	1	40	-2.0	-112.60	359.49	4.22	-108.38
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527330	0	31	-3.0	-198.34	302.94	0.71	-197.63
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527331	0	35	-3.0	-208.84	332.03	2.96	-205.88
COC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527331	1	36	-2.0	-111.66	332.08	2.91	-108.75
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527332	0	34	-3.0	-208.05	318.02	4.43	-203.62
CC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527332	1	35	-2.0	-112.02	319.07	4.47	-107.55
O=C([O-])C1=CC(NS(=O)(=O)C2CC2)=C(O)C(C(=O)[O-])=C1	REAL300000527333	0	29	-2.0	-111.34	277.25	2.17	-109.17
CN1C=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=N1	REAL300000527334	0	31	-3.0	-210.58	307.37	1.19	-209.39
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527335	0	31	-3.0	-194.08	302.77	1.28	-192.80
COCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527336	0	31	-3.0	-196.91	299.43	0.48	-196.43
COCCS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527336	1	32	-2.0	-110.83	301.76	0.40	-110.43
O=C([O-])C1=CC([N-]S(=O)(=O)CC2CCCO2)=C(O)C(C(=O)[O-])=C1	REAL300000527337	0	35	-3.0	-209.72	321.89	1.88	-207.84
O=C([O-])C1=CC(NS(=O)(=O)CC2CCCO2)=C(O)C(C(=O)[O-])=C1	REAL300000527337	1	36	-2.0	-114.59	324.24	1.81	-112.78
O=C([O-])C1=CC([N-]S(=O)(=O)CC2CCCCO2)=C(O)C(C(=O)[O-])=C1	REAL300000527338	0	38	-3.0	-208.02	339.39	2.95	-205.07
O=C([O-])C1=CC(NS(=O)(=O)CC2CCCCO2)=C(O)C(C(=O)[O-])=C1	REAL300000527338	1	39	-2.0	-110.28	341.73	2.90	-107.38
CC1CC(C)CN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C1	REAL300000527339	0	43	-2.0	-112.17	360.98	3.91	-108.26
CCCCN(C)S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527340	0	39	-2.0	-112.20	334.82	2.83	-109.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000527341	0	34	-3.0	-211.32	329.44	4.40	-206.92
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000527342	0	34	-3.0	-198.52	329.25	4.36	-194.16
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000527342	1	35	-2.0	-110.53	329.27	4.30	-106.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC=N2)=C(O)C(C(=O)[O-])=C1	REAL300000527343	0	28	-3.0	-211.19	283.84	1.05	-210.14
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000527344	0	34	-3.0	-195.80	342.08	2.46	-193.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C(O)C(C(=O)[O-])=C1	REAL300000527345	0	36	-3.0	-227.80	342.47	4.29	-223.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527346	0	31	-3.0	-195.06	320.75	3.84	-191.22
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN=C1Cl	REAL300000527347	0	33	-3.0	-194.88	333.18	2.88	-192.00
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527348	0	37	-3.0	-212.99	360.70	1.26	-211.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1C	REAL300000527349	0	41	-3.0	-206.00	363.87	4.36	-201.64
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1C	REAL300000527349	1	42	-2.0	-112.90	364.19	4.39	-108.51
O=C([O-])C1=CC(NS(=O)(=O)N2CCOCC2)=C(O)C(C(=O)[O-])=C1	REAL300000527350	0	35	-2.0	-109.00	310.48	0.32	-108.68
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527351	0	43	-3.0	-204.25	381.65	4.26	-199.99
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)SC=C1	REAL300000527352	0	31	-3.0	-206.15	310.76	3.48	-202.67
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1C	REAL300000527353	0	40	-3.0	-203.86	361.04	3.56	-200.30
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1[N+](=O)[O-]	REAL300000527354	0	36	-3.0	-192.21	346.75	4.84	-187.37
CC1CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000527355	0	40	-2.0	-109.76	340.57	3.38	-106.38
CC(C)N(C)S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527356	0	36	-2.0	-110.02	315.42	2.05	-107.97
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527357	0	35	-3.0	-202.63	338.80	4.83	-197.80
CC1=CC=C(C#N)C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527357	1	36	-2.0	-116.74	339.78	4.84	-111.90
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527358	0	43	-3.0	-208.98	355.14	6.23	-202.75
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527358	1	44	-2.0	-113.08	357.16	5.96	-107.12
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527359	0	35	-3.0	-197.77	338.78	4.81	-192.96
CC1=CC(C#N)=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527359	1	36	-2.0	-110.18	339.77	4.84	-105.34
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527360	0	43	-3.0	-208.65	364.41	7.11	-201.54
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527360	1	44	-2.0	-110.91	359.63	6.47	-104.44
CN(CC1CC1)S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527361	0	37	-2.0	-108.56	332.31	3.25	-105.31
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000527362	0	32	-3.0	-200.23	328.83	4.11	-196.12
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)C=C2O1	REAL300000527363	0	36	-3.0	-202.42	346.18	1.32	-201.10
CC1=NC2=CC=C(S(=O)(=O)NC3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)C=C2O1	REAL300000527363	1	37	-2.0	-117.13	346.14	1.26	-115.87
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527364	0	37	-3.0	-201.06	347.29	2.74	-198.32
CN(C)S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527365	0	30	-2.0	-109.13	278.17	0.69	-108.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527366	0	36	-3.0	-207.07	343.49	4.05	-203.02
O=C([O-])C1=CC(NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527366	1	37	-2.0	-112.62	343.33	3.98	-108.64
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527367	0	37	-3.0	-205.83	361.91	2.43	-203.40
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN1	REAL300000527368	0	37	-3.0	-212.83	346.50	2.09	-210.74
O=C([O-])C1=CC(NS(=O)(=O)N2CCCCC2)=C(O)C(C(=O)[O-])=C1	REAL300000527369	0	37	-2.0	-111.06	319.36	2.74	-108.32
O=C([O-])C1=CC(NS(=O)(=O)N2CCCC2)=C(O)C(C(=O)[O-])=C1	REAL300000527370	0	34	-2.0	-110.82	305.56	1.95	-108.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527371	0	31	-3.0	-187.17	321.52	3.84	-183.33
O=C([O-])C1=CC(NS(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527371	1	32	-2.0	-107.96	321.57	3.80	-104.16
CC(C)OCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527372	0	37	-3.0	-197.93	341.56	2.19	-195.74
CC(C)OCCS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527372	1	38	-2.0	-111.53	343.89	2.11	-109.42
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN1C	REAL300000527373	0	38	-3.0	-207.81	363.70	3.76	-204.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527374	0	33	-4.0	-263.93	335.51	4.26	-259.67
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527374	1	34	-3.0	-182.36	335.50	4.21	-178.15
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC(C)=C1F	REAL300000527375	0	37	-3.0	-199.54	349.56	5.00	-194.54
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC(C)=C1F	REAL300000527375	1	38	-2.0	-110.48	349.63	4.95	-105.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C(C(=O)[O-])=CC(C(=O)[O-])=C2)S1	REAL300000527376	0	30	-4.0	-267.27	323.26	3.34	-263.93
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527377	0	40	-3.0	-213.73	367.08	4.92	-208.81
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527378	0	33	-4.0	-272.17	337.41	4.29	-267.88
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527378	1	34	-3.0	-199.10	337.42	4.23	-194.87
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN1	REAL300000527379	0	35	-3.0	-204.42	345.93	2.00	-202.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000527380	0	33	-4.0	-265.88	336.46	4.29	-261.59
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527381	0	34	-3.0	-202.87	322.91	4.49	-198.38
CC1=C(F)C=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527381	1	35	-2.0	-106.03	321.25	4.05	-101.98
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000527382	0	33	-3.0	-200.59	326.80	2.26	-198.33
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527383	0	35	-3.0	-212.11	344.79	4.83	-207.28
N#CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527383	1	36	-2.0	-116.50	344.80	4.78	-111.72
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527384	0	37	-3.0	-209.08	345.42	5.08	-204.00
CCC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527384	1	38	-2.0	-112.06	345.49	5.04	-107.02
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527385	0	34	-3.0	-203.01	330.36	4.38	-198.63
CC1=CC(F)=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527385	1	35	-2.0	-108.55	330.42	4.34	-104.21
CC(C)(C)CCS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527386	0	40	-2.0	-110.95	344.82	3.82	-107.13
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527387	0	37	-3.0	-197.61	360.43	3.11	-194.50
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C(F)C=C1F	REAL300000527388	0	34	-3.0	-201.22	334.74	4.41	-196.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C(O)C(C(=O)[O-])=C1	REAL300000527389	0	37	-3.0	-219.10	343.58	5.97	-213.13
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC3=CC=CC=C32)=C(O)C(C(=O)[O-])=C1	REAL300000527389	1	38	-2.0	-112.36	342.36	5.54	-106.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527390	0	33	-3.0	-202.53	334.52	3.14	-199.39
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C(O)C(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000527391	0	34	-4.0	-283.89	340.71	1.93	-281.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C(O)C(C(=O)[O-])=C1	REAL300000527392	0	41	-3.0	-213.77	357.84	6.28	-207.49
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC3=C2CCCC3)=C(O)C(C(=O)[O-])=C1	REAL300000527392	1	42	-2.0	-112.56	356.24	5.86	-106.70
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527393	0	36	-4.0	-272.06	353.17	5.00	-267.06
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527393	1	37	-3.0	-176.29	353.24	4.95	-171.34
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000527394	0	37	-3.0	-196.10	363.94	3.39	-192.71
CCN(C)S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527395	0	33	-2.0	-109.77	293.50	1.36	-108.41
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)SC=C1	REAL300000527396	0	32	-3.0	-215.58	324.70	1.94	-213.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C(O)C(C(=O)[O-])=C1	REAL300000527397	0	34	-3.0	-206.55	332.30	4.05	-202.50
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527398	0	31	-3.0	-191.47	318.58	2.57	-188.90
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)N=C1Cl	REAL300000527399	0	31	-3.0	-208.56	322.88	2.47	-206.09
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC(OC)=C1	REAL300000527400	0	39	-3.0	-209.79	361.53	2.27	-207.52
COC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC(OC)=C1	REAL300000527400	1	40	-2.0	-117.17	361.55	2.21	-114.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C(O)C(C(=O)[O-])=C1	REAL300000527401	0	32	-3.0	-210.50	318.37	2.40	-208.10
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527402	0	32	-3.0	-194.31	324.75	1.49	-192.82
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000527403	0	30	-3.0	-199.78	311.06	1.49	-198.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527404	0	36	-4.0	-280.88	341.03	4.87	-276.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527404	1	37	-3.0	-173.31	341.94	4.89	-168.42
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527405	0	38	-3.0	-200.29	354.91	0.71	-199.58
COCCOCCS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527405	1	39	-2.0	-112.97	357.24	0.63	-112.34
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527406	0	36	-4.0	-266.45	346.41	4.99	-261.46
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527406	1	37	-3.0	-180.70	347.43	5.03	-175.67
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000527407	0	32	-3.0	-202.11	331.83	4.34	-197.77
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000527408	0	34	-3.0	-205.38	334.72	4.43	-200.95
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1CC	REAL300000527409	0	43	-3.0	-209.51	379.59	6.23	-203.28
CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1CC	REAL300000527409	1	44	-2.0	-113.13	379.66	6.18	-106.95
O=C([O-])C1=CC(NS(=O)(=O)CCC2CC2)=C(O)C(C(=O)[O-])=C1	REAL300000527410	0	35	-2.0	-110.10	321.21	3.68	-106.42
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527411	0	37	-3.0	-213.24	347.98	4.05	-209.19
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527412	0	36	-3.0	-194.29	353.27	2.49	-191.80
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527413	0	39	-3.0	-219.14	365.62	4.93	-214.21
CCC(=O)C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527413	1	40	-2.0	-113.73	365.63	4.87	-108.86
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527414	0	38	-3.0	-198.74	362.28	1.26	-197.48
CN(C1CCCC1)S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527415	0	40	-2.0	-112.43	339.95	3.41	-109.02
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1C#N	REAL300000527416	0	35	-3.0	-216.93	339.78	4.45	-212.48
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000527417	0	40	-3.0	-206.11	375.53	5.31	-200.80
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527418	0	37	-3.0	-212.51	349.85	4.42	-208.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527419	0	39	-3.0	-199.16	360.57	1.40	-197.76
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1F	REAL300000527420	0	34	-3.0	-213.11	328.35	4.36	-208.75
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527421	0	37	-3.0	-197.02	351.56	1.27	-195.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C(O)C(C(=O)[O-])=C1	REAL300000527422	0	38	-3.0	-217.16	348.48	3.68	-213.48
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527423	0	38	-3.0	-206.40	357.60	3.39	-203.01
COCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527423	1	39	-2.0	-113.11	357.68	3.34	-109.77
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527424	0	36	-3.0	-210.63	341.80	0.64	-209.99
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000527425	0	34	-3.0	-209.79	334.40	4.80	-204.99
CC1CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C1	REAL300000527426	0	37	-2.0	-110.02	328.40	2.64	-107.38
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C(C)O1	REAL300000527427	0	34	-3.0	-202.42	325.48	3.24	-199.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527428	0	39	-3.0	-206.53	356.25	4.28	-202.25
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3OCCCC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527428	1	40	-2.0	-114.94	356.30	4.25	-110.69
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527429	0	38	-3.0	-206.07	349.14	3.70	-202.37
COCC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527429	1	39	-2.0	-110.17	347.75	3.26	-106.91
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527430	0	41	-3.0	-203.95	371.79	4.51	-199.44
CC(C)OC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527430	1	42	-2.0	-112.09	372.50	4.50	-107.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000527431	0	31	-3.0	-203.25	307.13	2.47	-200.78
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527432	0	34	-3.0	-206.43	334.75	4.02	-202.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527433	0	34	-3.0	-201.92	328.59	2.32	-199.60
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3OCOC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527433	1	35	-2.0	-110.71	328.56	2.27	-108.44
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527434	0	31	-3.0	-195.61	325.68	4.24	-191.37
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C(C)O1	REAL300000527435	0	37	-3.0	-197.10	360.37	3.22	-193.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527436	0	30	-3.0	-194.65	314.28	2.35	-192.30
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)N=C1C	REAL300000527437	0	37	-3.0	-216.22	348.26	3.44	-212.78
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527438	0	34	-3.0	-209.39	337.07	4.89	-204.50
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C(=O)[O-]	REAL300000527439	0	37	-4.0	-281.50	359.02	4.43	-277.07
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527440	0	34	-3.0	-201.19	342.42	2.41	-198.78
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527441	0	43	-3.0	-205.86	382.01	4.21	-201.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000527442	0	31	-3.0	-211.98	318.59	4.46	-207.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(Cl)=N1	REAL300000527443	0	33	-3.0	-204.09	332.43	2.97	-201.12
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527444	0	36	-3.0	-204.49	351.58	3.85	-200.64
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000527445	0	33	-3.0	-199.45	332.54	2.24	-197.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1F	REAL300000527446	0	38	-3.0	-201.02	352.62	3.77	-197.25
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1F	REAL300000527446	1	39	-2.0	-109.78	353.55	3.81	-105.97
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(Cl)=C1	REAL300000527447	0	32	-3.0	-197.50	336.42	4.61	-192.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527448	0	34	-3.0	-217.04	330.46	3.98	-213.06
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527449	0	36	-3.0	-200.25	352.48	2.52	-197.73
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527450	0	41	-3.0	-216.46	366.08	5.42	-211.04
O=C([O-])C1=CC(NS(=O)(=O)CC2CCCOC2)=C(O)C(C(=O)[O-])=C1	REAL300000527451	0	39	-2.0	-110.73	338.03	2.37	-108.36
O=C([O-])C1=CC([N-]S(=O)(=O)CC2CCCOC2)=C(O)C(C(=O)[O-])=C1	REAL300000527451	1	38	-3.0	-205.39	335.69	2.44	-202.95
CN(C)C1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527452	0	40	-2.0	-114.76	353.17	3.99	-110.77
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527452	1	39	-3.0	-209.65	354.02	4.07	-205.58
O=C([O-])C1=CC(NS(=O)(=O)CCC2=CC=CS2)=C(O)C(C(=O)[O-])=C1	REAL300000527453	0	35	-2.0	-112.50	339.73	4.23	-108.27
O=C([O-])C1=CC([N-]S(=O)(=O)CCC2=CC=CS2)=C(O)C(C(=O)[O-])=C1	REAL300000527453	1	34	-3.0	-201.72	337.39	4.30	-197.42
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527454	0	31	-3.0	-197.26	331.52	3.88	-193.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527455	0	34	-3.0	-206.47	334.72	4.52	-201.95
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC(C(F)F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527455	1	35	-2.0	-111.75	334.78	4.49	-107.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527456	0	34	-3.0	-199.91	341.61	2.51	-197.40
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527457	0	35	-3.0	-216.00	338.61	4.72	-211.28
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527458	0	40	-3.0	-212.46	356.53	5.66	-206.80
CC(C)C1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527458	1	41	-2.0	-112.19	355.23	5.25	-106.94
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000527459	0	35	-3.0	-196.80	338.25	3.03	-193.77
COC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1F	REAL300000527459	1	36	-2.0	-110.69	338.34	2.98	-107.71
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527460	0	30	-3.0	-214.27	315.23	4.07	-210.20
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CO2)=C(O)C(C(=O)[O-])=C1	REAL300000527461	0	28	-3.0	-202.09	285.21	1.65	-200.44
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527462	0	30	-3.0	-187.56	296.94	0.07	-187.49
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CN=C21	REAL300000527463	0	36	-3.0	-198.19	346.88	2.79	-195.40
CN1N=CC2=CC(S(=O)(=O)NC3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CN=C21	REAL300000527463	1	37	-2.0	-110.83	347.13	2.73	-108.10
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527464	0	30	-3.0	-193.54	323.70	3.42	-190.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C(O)C(C(=O)[O-])=C1	REAL300000527465	0	35	-3.0	-207.35	330.66	3.10	-204.25
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527466	0	32	-3.0	-202.20	336.45	4.62	-197.58
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527467	0	37	-3.0	-207.13	332.74	5.39	-201.74
CCC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527467	1	38	-2.0	-109.89	331.33	4.74	-105.15
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527468	0	39	-3.0	-223.62	356.51	4.17	-219.45
O=C([O-])C1=CC(NS(=O)(=O)CCCCCl)=C(O)C(C(=O)[O-])=C1	REAL300000527469	0	34	-2.0	-111.20	328.24	3.52	-107.68
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527470	0	34	-3.0	-213.28	322.14	4.63	-208.65
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C(O)C(C(=O)[O-])=C1	REAL300000527471	0	35	-3.0	-223.06	340.93	3.74	-219.32
CC(C)(C#N)CCS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527472	0	38	-2.0	-110.41	344.11	3.43	-106.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C(O)C(C(=O)[O-])=C1	REAL300000527473	0	32	-3.0	-213.88	327.31	1.96	-211.92
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527474	0	34	-3.0	-201.23	327.10	1.13	-200.10
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)OCO2	REAL300000527475	0	37	-3.0	-202.61	344.03	3.09	-199.52
CC1=CC2=C(C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)OCO2	REAL300000527475	1	38	-2.0	-114.74	345.03	3.13	-111.61
CCCC(CC)S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527476	0	40	-2.0	-111.62	333.78	4.49	-107.13
O=C([O-])C1=CC(NS(=O)(=O)CC2=CC=CC(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527477	0	35	-2.0	-114.97	344.75	4.88	-110.09
O=C([O-])C1=CC([N-]S(=O)(=O)CC2=CC=CC(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527477	1	34	-3.0	-203.14	342.39	4.94	-198.20
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527478	0	35	-3.0	-212.33	333.74	5.06	-207.27
N#CCC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527478	1	36	-2.0	-113.49	336.88	4.89	-108.60
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527479	0	35	-3.0	-212.32	344.78	4.81	-207.51
N#CCC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527479	1	36	-2.0	-116.15	344.85	4.77	-111.38
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527480	0	37	-3.0	-198.88	339.19	5.45	-193.43
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527480	1	38	-2.0	-108.45	335.13	5.24	-103.21
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(N)=NO1	REAL300000527481	0	32	-3.0	-191.60	310.07	1.02	-190.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527482	0	32	-3.0	-199.46	330.03	2.43	-197.03
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=NO1	REAL300000527483	0	42	-3.0	-206.15	383.78	4.45	-201.70
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527484	0	38	-3.0	-209.62	347.50	3.73	-205.89
COC1=CC=C(C)C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527484	1	39	-2.0	-116.66	348.52	3.77	-112.89
O=C([O-])C1=CC(NS(=O)(=O)C2=CCCCC2)=C(O)C(C(=O)[O-])=C1	REAL300000527485	0	36	-2.0	-109.26	319.54	3.95	-105.31
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000527486	0	29	-3.0	-193.97	315.05	3.21	-190.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527487	0	33	-3.0	-201.94	319.13	2.49	-199.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527488	0	36	-3.0	-205.35	343.71	4.02	-201.33
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1C#N	REAL300000527489	0	35	-3.0	-196.92	342.50	4.55	-192.37
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1C#N	REAL300000527489	1	36	-2.0	-110.85	342.46	4.49	-106.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527490	0	30	-3.0	-187.49	320.27	2.35	-185.14
COC(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527491	0	34	-3.0	-204.79	318.54	1.42	-203.37
COC(C)CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527491	1	35	-2.0	-113.67	320.88	1.36	-112.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000527492	0	35	-3.0	-207.56	337.51	3.02	-204.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C(O)C(C(=O)[O-])=C1	REAL300000527493	0	37	-3.0	-204.92	348.26	4.16	-200.76
O=C([O-])C1=CC(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)=C(O)C(C(=O)[O-])=C1	REAL300000527493	1	38	-2.0	-111.94	349.93	4.18	-107.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527494	0	34	-3.0	-203.19	334.71	4.52	-198.67
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527494	1	35	-2.0	-109.90	336.74	4.54	-105.36
COC1CN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C1	REAL300000527495	0	35	-2.0	-111.76	325.35	0.15	-111.61
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)N(C)N=C1	REAL300000527496	0	34	-3.0	-195.84	319.40	2.12	-193.72
O=C([O-])C1=CC(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527497	0	38	-2.0	-110.23	366.25	5.65	-104.58
O=C([O-])C1=CC([N-]S(=O)(=O)CCC2=CC=CC(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527497	1	37	-3.0	-201.53	363.90	5.73	-195.80
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000527498	0	29	-3.0	-193.34	306.46	2.21	-191.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527499	0	28	-3.0	-201.79	293.63	2.57	-199.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527500	0	28	-3.0	-200.94	285.06	1.54	-199.40
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1C(=O)[O-]	REAL300000527501	0	36	-4.0	-267.79	351.05	4.87	-262.92
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1C(=O)[O-]	REAL300000527501	1	37	-3.0	-175.76	347.53	4.74	-171.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527502	0	34	-3.0	-197.02	329.71	0.34	-196.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527503	0	31	-3.0	-205.61	324.76	4.24	-201.37
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527504	0	42	-3.0	-206.42	381.12	4.80	-201.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C(O)C(C(=O)[O-])=C1	REAL300000527505	0	34	-3.0	-209.90	339.05	5.01	-204.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C(O)C(C(=O)[O-])=C1	REAL300000527506	0	34	-3.0	-211.58	329.13	2.29	-209.29
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527507	0	38	-3.0	-209.04	353.88	3.88	-205.16
CCOC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527507	1	39	-2.0	-111.49	353.94	3.83	-107.66
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527508	0	37	-3.0	-233.85	346.94	1.25	-232.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C(O)C(C(=O)[O-])=C1	REAL300000527509	0	28	-3.0	-204.15	310.51	3.11	-201.04
CC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527510	0	31	-3.0	-204.02	316.10	3.32	-200.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000527511	0	28	-3.0	-197.81	300.82	0.47	-197.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527512	0	30	-3.0	-197.52	309.43	1.77	-195.75
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527513	0	40	-3.0	-199.05	366.98	2.72	-196.33
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527514	0	40	-3.0	-197.73	371.70	2.20	-195.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527515	0	39	-3.0	-203.94	363.07	4.63	-199.31
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527515	1	40	-2.0	-114.64	363.19	4.57	-110.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C(O)C(C(=O)[O-])=C1	REAL300000527516	0	34	-3.0	-199.49	338.72	4.12	-195.37
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527517	0	36	-3.0	-216.80	343.69	3.24	-213.56
CC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527518	0	30	-3.0	-195.18	311.02	1.95	-193.23
O=C([O-])C1=CC(NS(=O)(=O)C2=CNC(=O)S2)=C(O)C(C(=O)[O-])=C1	REAL300000527519	0	29	-2.0	-120.56	299.77	-0.47	-121.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC(=O)S2)=C(O)C(C(=O)[O-])=C1	REAL300000527519	1	28	-3.0	-194.27	299.37	-0.46	-194.73
O=C([O-])C1=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=C(O)C(C(=O)[O-])=C1	REAL300000527520	0	35	-3.0	-234.85	333.68	0.94	-233.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527521	0	38	-3.0	-206.69	351.75	5.76	-200.93
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(C3CC3)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527521	1	39	-2.0	-113.54	351.85	5.71	-107.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C(O)C(C(=O)[O-])=C1	REAL300000527522	0	28	-3.0	-206.95	300.81	2.70	-204.25
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000527523	0	32	-3.0	-193.05	329.24	4.09	-188.96
N#CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000527523	1	33	-2.0	-115.11	329.23	4.04	-111.07
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C1=CC=CC=C1	REAL300000527524	0	41	-3.0	-206.60	377.29	4.75	-201.85
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000527525	0	35	-3.0	-211.45	324.08	2.69	-208.76
COCC1(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000527525	1	36	-2.0	-116.17	315.17	2.23	-113.94
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527526	0	31	-3.0	-231.44	307.88	-0.41	-231.85
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NC=CN2)=C(O)C(C(=O)[O-])=C1	REAL300000527527	0	28	-3.0	-204.71	284.16	0.23	-204.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527528	0	36	-3.0	-210.48	339.53	0.57	-209.91
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000527529	0	34	-3.0	-207.62	332.65	4.29	-203.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527530	0	32	-3.0	-191.49	325.91	2.51	-188.98
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527531	0	33	-3.0	-193.98	330.09	3.04	-190.94
COCCN(C)S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527532	0	37	-2.0	-108.33	323.91	0.57	-107.76
O=C([O-])C1=CC(NS(=O)(=O)N2CC3CCC2C3)=C(O)C(C(=O)[O-])=C1	REAL300000527533	0	38	-2.0	-113.85	329.74	3.16	-110.69
CCOC(=O)CC1(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000527534	0	41	-2.0	-113.09	362.80	4.55	-108.54
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000527534	1	40	-3.0	-215.48	369.34	5.14	-210.34
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=NN1C	REAL300000527535	0	34	-3.0	-201.78	323.20	1.89	-199.89
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527536	0	35	-3.0	-207.41	333.61	4.75	-202.66
C=CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527536	1	36	-2.0	-113.45	333.64	4.69	-108.76
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527537	0	34	-3.0	-202.07	325.92	2.01	-200.06
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527538	0	31	-3.0	-193.49	318.39	2.26	-191.23
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527539	0	39	-3.0	-200.40	350.82	3.63	-196.77
COC(=O)C(C)(C)CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527539	1	40	-2.0	-113.50	353.16	3.57	-109.93
O=C([O-])C1=CC(NS(=O)(=O)CCCCF)=C(O)C(C(=O)[O-])=C1	REAL300000527540	0	34	-2.0	-111.57	317.68	3.04	-108.53
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C(O)C(C(=O)[O-])=C1	REAL300000527541	0	31	-3.0	-198.92	318.21	1.19	-197.73
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527542	0	33	-4.0	-289.31	334.63	4.24	-285.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527543	0	33	-3.0	-219.53	333.73	3.08	-216.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527544	0	36	-3.0	-209.64	338.33	3.50	-206.14
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3CCOC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527544	1	37	-2.0	-112.51	338.33	3.44	-109.07
O=C([O-])C1=CC(NS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527545	0	39	-2.0	-110.90	354.94	5.76	-105.14
O=C([O-])C1=CC([N-]S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527545	1	38	-3.0	-206.53	352.60	5.84	-200.69
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527546	0	34	-3.0	-209.34	329.68	5.16	-204.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C(O)C(C(=O)[O-])=C1	REAL300000527547	0	36	-3.0	-218.85	338.84	3.48	-215.37
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)OC	REAL300000527548	0	37	-3.0	-204.05	337.66	2.20	-201.85
CCC(CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)OC	REAL300000527548	1	38	-2.0	-113.88	338.41	1.91	-111.97
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527549	0	43	-3.0	-205.20	372.87	3.24	-201.96
COC(CC(C)C)CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527549	1	44	-2.0	-113.30	374.40	3.48	-109.82
O=C([O-])C1=CC([N-]S(=O)(=O)CCOCC2CC2)=C(O)C(C(=O)[O-])=C1	REAL300000527550	0	38	-3.0	-197.77	352.95	3.03	-194.74
O=C([O-])C1=CC(NS(=O)(=O)CCOCC2CC2)=C(O)C(C(=O)[O-])=C1	REAL300000527550	1	39	-2.0	-111.52	355.29	2.95	-108.57
O=C([O-])C1=CC(NS(=O)(=O)CCC2=CC=C(Cl)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527551	0	38	-2.0	-110.76	366.23	5.66	-105.10
O=C([O-])C1=CC([N-]S(=O)(=O)CCC2=CC=C(Cl)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527551	1	37	-3.0	-199.77	363.90	5.74	-194.03
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(F)=C1	REAL300000527552	0	34	-3.0	-214.45	332.44	4.60	-209.85
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000527553	0	36	-3.0	-204.38	346.38	2.12	-202.26
CN1N=NC2=CC(S(=O)(=O)NC3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000527553	1	37	-2.0	-124.20	346.23	2.06	-122.14
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C1CC1	REAL300000527554	0	38	-3.0	-208.77	343.78	3.46	-205.31
COC(CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C1CC1	REAL300000527554	1	39	-2.0	-113.83	345.55	3.21	-110.62
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527555	0	35	-3.0	-210.53	337.19	3.51	-207.02
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527556	0	30	-3.0	-191.56	299.49	1.62	-189.94
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000527557	0	34	-3.0	-199.93	337.99	4.76	-195.17
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000527557	1	35	-2.0	-110.52	338.02	4.71	-105.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527558	0	37	-3.0	-217.54	350.62	4.65	-212.89
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527558	1	38	-2.0	-130.44	350.63	4.58	-125.86
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527559	0	36	-3.0	-219.83	344.06	-0.40	-220.23
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527560	0	30	-3.0	-206.96	303.04	1.83	-205.13
O=C([O-])C1=CC(NS(=O)(=O)CCC2CCCCC2)=C(O)C(C(=O)[O-])=C1	REAL300000527561	0	44	-2.0	-111.17	370.28	5.32	-105.85
O=C([O-])C1=CC(NS(=O)(=O)CCC2CCCC2)=C(O)C(C(=O)[O-])=C1	REAL300000527562	0	41	-2.0	-111.13	353.80	4.73	-106.40
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527563	0	30	-3.0	-192.24	303.93	1.81	-190.43
O=C([O-])C1=CC([N-]S(=O)(=O)CCOCC2CCC2)=C(O)C(C(=O)[O-])=C1	REAL300000527564	0	41	-3.0	-197.94	369.52	3.56	-194.38
O=C([O-])C1=CC(NS(=O)(=O)CCOCC2CCC2)=C(O)C(C(=O)[O-])=C1	REAL300000527564	1	42	-2.0	-111.68	371.86	3.48	-108.20
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=CS1	REAL300000527565	0	29	-3.0	-209.27	312.91	3.06	-206.21
O=C([O-])C1=CC(NS(=O)(=O)N2CCCOCC2)=C(O)C(C(=O)[O-])=C1	REAL300000527566	0	38	-2.0	-115.17	325.34	1.23	-113.94
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C(C)C	REAL300000527567	0	40	-3.0	-204.55	352.29	2.99	-201.56
COC(CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C(C)C	REAL300000527567	1	41	-2.0	-112.93	356.54	2.66	-110.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527568	0	31	-3.0	-194.94	325.12	4.23	-190.71
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527568	1	32	-2.0	-113.69	325.20	4.19	-109.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C(O)C(C(=O)[O-])=C1	REAL300000527569	0	39	-3.0	-219.20	354.72	4.86	-214.34
COC1CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000527570	0	41	-2.0	-114.28	351.72	1.74	-112.54
O=C([O-])C1=CC(NS(=O)(=O)CCC2=CC=C(F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527571	0	38	-2.0	-111.11	355.91	5.21	-105.90
O=C([O-])C1=CC([N-]S(=O)(=O)CCC2=CC=C(F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527571	1	37	-3.0	-199.81	353.57	5.29	-194.52
O=C([O-])C1=CC(NS(=O)(=O)CCC2=CC=CC=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527572	0	38	-2.0	-118.71	355.07	5.17	-113.54
O=C([O-])C1=CC([N-]S(=O)(=O)CCC2=CC=CC=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527572	1	37	-3.0	-206.80	352.73	5.24	-201.56
O=C([O-])C1=CC(NS(=O)(=O)CCC2=CC=CC=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000527573	0	38	-2.0	-116.89	362.19	5.51	-111.38
O=C([O-])C1=CC([N-]S(=O)(=O)CCC2=CC=CC=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000527573	1	37	-3.0	-205.71	359.84	5.58	-200.13
CCC1CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000527574	0	43	-2.0	-112.35	358.33	3.98	-108.37
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527575	0	38	-3.0	-218.16	358.46	1.10	-217.06
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527575	1	39	-2.0	-115.69	358.48	1.04	-114.65
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(=O)NC1=O	REAL300000527576	0	34	-3.0	-205.58	330.94	0.35	-205.23
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)N(C)N=C1	REAL300000527577	0	37	-3.0	-204.01	351.77	2.73	-201.28
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C1CC1	REAL300000527578	0	41	-3.0	-206.54	365.96	4.01	-202.53
CCOC(CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C1CC1	REAL300000527578	1	42	-2.0	-114.15	368.30	3.94	-110.21
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)N1C	REAL300000527579	0	34	-3.0	-200.64	321.90	2.63	-198.01
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C1CCCC1	REAL300000527580	0	44	-3.0	-204.72	376.37	4.37	-200.35
COC(CS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C1CCCC1	REAL300000527580	1	45	-2.0	-108.54	377.98	3.91	-104.63
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000527581	0	37	-3.0	-196.65	359.97	3.04	-193.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C(O)C(C(=O)[O-])=C1	REAL300000527582	0	34	-3.0	-200.82	342.28	3.16	-197.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527583	0	30	-3.0	-198.67	319.88	2.26	-196.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(F)=C1F	REAL300000527584	0	34	-3.0	-208.94	334.61	4.44	-204.50
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)OC=C1	REAL300000527585	0	34	-3.0	-212.60	334.66	3.11	-209.49
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=N1	REAL300000527586	0	33	-3.0	-219.33	329.62	2.64	-216.69
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=N1	REAL300000527587	0	43	-3.0	-202.05	390.45	4.42	-197.63
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527588	0	32	-4.0	-281.25	327.21	2.34	-278.91
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527589	0	35	-3.0	-205.64	335.33	3.80	-201.84
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527590	0	32	-3.0	-194.93	329.77	4.12	-190.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C(O)C(C(=O)[O-])=C1	REAL300000527591	0	33	-3.0	-202.95	325.80	2.71	-200.24
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C(O)C(C(=O)[O-])=C1	REAL300000527591	1	33	-3.0	-218.25	325.70	2.84	-215.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C(O)C(C(=O)[O-])=C1	REAL300000527592	0	35	-3.0	-215.81	336.27	3.63	-212.18
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527593	0	41	-3.0	-200.95	363.53	3.77	-197.18
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C(C)(C)C)=N1	REAL300000527594	0	43	-3.0	-202.92	370.90	4.27	-198.65
CCC(C)(C)CCS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527595	0	43	-2.0	-110.48	359.05	4.32	-106.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527596	0	41	-3.0	-201.64	369.94	4.00	-197.64
O=C([O-])C1=CC(NS(=O)(=O)C2CC2C2=CC=CC(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527597	0	39	-2.0	-112.94	361.37	5.83	-107.11
O=C([O-])C1=CC([N-]S(=O)(=O)C2CC2C2=CC=CC(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527597	1	38	-3.0	-214.32	350.63	5.94	-208.38
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C(O)C(C(=O)[O-])=C1	REAL300000527598	0	32	-3.0	-204.13	318.72	1.41	-202.72
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])=C(O)C(C(=O)[O-])=C1	REAL300000527598	1	31	-4.0	-305.73	315.16	2.28	-303.45
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527599	0	41	-3.0	-206.44	379.73	6.44	-200.00
C=CCCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527599	1	42	-2.0	-112.40	379.81	6.39	-106.01
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527600	0	34	-3.0	-219.92	333.54	1.31	-218.61
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527601	0	37	-3.0	-202.48	345.39	2.82	-199.66
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1F	REAL300000527602	0	36	-3.0	-203.58	347.54	4.13	-199.45
NC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527603	0	31	-3.0	-194.94	307.74	1.00	-193.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C#N)=C1	REAL300000527604	0	35	-3.0	-214.27	342.03	4.61	-209.66
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527605	0	35	-3.0	-217.26	334.28	4.90	-212.36
O=C([O-])C1=CC(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527606	0	36	-2.0	-111.75	352.83	5.37	-106.38
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527607	0	38	-3.0	-209.82	366.28	5.62	-204.20
N#CCCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1	REAL300000527607	1	39	-2.0	-116.18	366.36	5.57	-110.61
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527608	0	37	-3.0	-200.14	349.52	5.88	-194.26
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527608	1	38	-2.0	-108.51	345.47	5.68	-102.83
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527609	0	31	-3.0	-191.56	321.78	-0.54	-192.10
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000527610	0	44	-3.0	-211.31	374.59	3.88	-207.43
CC1(C)CCCC(CS(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000527610	1	45	-2.0	-117.16	376.94	3.81	-113.35
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NS2)=C(O)C(C(=O)[O-])=C1	REAL300000527611	0	27	-3.0	-194.94	289.27	1.36	-193.58
CC(C)(CCS(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O)C1CC1	REAL300000527612	0	44	-2.0	-110.39	368.52	5.08	-105.31
O=C([O-])C1=CC(NS(=O)(=O)C=CC2=CC=CC=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000527613	0	36	-2.0	-112.64	350.34	5.28	-107.36
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C(C(N)=O)O1	REAL300000527614	0	35	-3.0	-201.59	342.04	-0.73	-202.32
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527615	0	40	-3.0	-208.54	354.26	6.17	-202.37
CCCC1=CC=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527615	1	41	-2.0	-110.05	352.88	5.51	-104.54
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C(O)C(C(=O)[O-])=C1	REAL300000527616	0	31	-3.0	-213.32	317.25	3.78	-209.54
O=C([O-])C1=CC(NS(=O)(=O)CCC2=CC=CC(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527617	0	38	-2.0	-110.34	355.93	5.21	-105.13
O=C([O-])C1=CC([N-]S(=O)(=O)CCC2=CC=CC(F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527617	1	37	-3.0	-201.74	353.58	5.29	-196.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C(O)C(C(=O)[O-])=C1	REAL300000527618	0	36	-3.0	-219.59	338.78	4.17	-215.42
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527619	0	38	-3.0	-205.79	363.95	3.85	-201.94
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1F	REAL300000527620	0	32	-3.0	-207.67	328.36	4.08	-203.59
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)N=N1	REAL300000527621	0	30	-3.0	-203.40	301.33	-0.02	-203.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527622	0	38	-3.0	-201.41	352.43	3.33	-198.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C(O)C(C(=O)[O-])=C1	REAL300000527623	0	38	-3.0	-198.21	349.82	3.53	-194.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C(O)C(C(=O)[O-])=C1	REAL300000527624	0	41	-3.0	-199.61	371.74	4.28	-195.33
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C(O)C(C(=O)[O-])=C1	REAL300000527625	0	38	-3.0	-205.62	346.92	3.68	-201.94
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527626	0	34	-3.0	-202.62	325.43	4.36	-198.26
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=C2O1	REAL300000527627	0	39	-3.0	-220.42	359.93	4.25	-216.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C(O)C(C(=O)[O-])=C1	REAL300000527628	0	28	-3.0	-203.11	307.96	3.10	-200.01
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527629	0	36	-3.0	-221.86	344.26	3.25	-218.61
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527630	0	33	-3.0	-187.47	317.76	0.98	-186.49
O=C([O-])C1=CC(NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)=C(O)C(C(=O)[O-])=C1	REAL300000527631	0	41	-2.0	-111.18	348.72	3.67	-107.51
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527632	0	32	-3.0	-191.77	317.41	2.44	-189.33
O=C([O-])C1=CC(NS(=O)(=O)C2=CC3=NON=C3C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527632	1	33	-2.0	-106.63	317.02	2.36	-104.27
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C(O)C(C(=O)[O-])=C1	REAL300000527633	0	34	-3.0	-208.12	341.37	5.08	-203.04
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527634	0	38	-3.0	-196.16	354.47	3.38	-192.78
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1F	REAL300000527635	0	40	-3.0	-203.76	358.28	6.01	-197.75
CC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=C1F	REAL300000527635	1	41	-2.0	-106.58	357.70	5.41	-101.17
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1OC	REAL300000527636	0	39	-3.0	-211.75	358.31	3.58	-208.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C(O)C(C(=O)[O-])=C1	REAL300000527637	0	34	-3.0	-208.57	332.30	3.94	-204.63
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C2CC2)=N1	REAL300000527638	0	38	-3.0	-205.74	357.83	3.58	-202.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C(O)C(C(=O)[O-])=C1	REAL300000527639	0	34	-3.0	-214.86	331.97	2.85	-212.01
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)C=CC=C21	REAL300000527640	0	36	-3.0	-226.38	347.08	2.06	-224.32
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=C21	REAL300000527641	0	38	-3.0	-208.54	343.21	5.63	-202.91
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN=C1N	REAL300000527642	0	35	-3.0	-204.76	330.54	1.36	-203.40
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=CN=C1N	REAL300000527642	1	36	-2.0	-112.36	330.87	1.33	-111.03
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527643	0	31	-3.0	-200.97	319.82	-0.48	-201.45
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)N=CN1	REAL300000527644	0	31	-3.0	-212.56	301.64	1.76	-210.80
CC1(C)CCCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C1	REAL300000527645	0	43	-2.0	-114.07	339.58	3.32	-110.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527646	0	34	-3.0	-203.49	336.25	4.04	-199.45
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C2CCC2)=N1	REAL300000527647	0	41	-3.0	-206.65	374.06	4.07	-202.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527648	0	28	-3.0	-202.24	308.34	3.20	-199.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527649	0	41	-3.0	-202.19	376.53	4.30	-197.89
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C(O)C(C(=O)[O-])=C1	REAL300000527650	0	35	-3.0	-212.86	340.67	4.77	-208.09
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527651	0	40	-3.0	-209.09	366.92	5.87	-203.22
CCCC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527651	1	41	-2.0	-111.90	366.99	5.82	-106.08
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527652	0	37	-3.0	-193.01	358.81	2.00	-191.01
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527653	0	32	-3.0	-208.91	327.04	4.00	-204.91
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527654	0	38	-3.0	-200.93	347.20	3.23	-197.70
O=C([O-])C1=CC(NS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)=C(O)C(C(=O)[O-])=C1	REAL300000527655	0	38	-2.0	-111.40	329.29	2.96	-108.44
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527656	0	37	-3.0	-208.53	332.66	5.34	-203.19
CC1=CC=CC(C)=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527656	1	38	-2.0	-111.19	328.73	5.19	-106.00
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527657	0	40	-3.0	-195.72	349.52	3.56	-192.16
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527658	0	40	-3.0	-202.54	367.03	3.37	-199.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C(O)C(C(=O)[O-])=C1	REAL300000527659	0	38	-3.0	-202.81	351.11	2.76	-200.05
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527660	0	42	-3.0	-201.98	376.80	4.46	-197.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527661	0	34	-3.0	-205.68	330.52	4.47	-201.21
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(CF)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527661	1	35	-2.0	-112.25	330.60	4.43	-107.82
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527662	0	34	-3.0	-195.08	324.71	1.87	-193.21
O=C([O-])C1=CC(NS(=O)(=O)N2CCC(F)(F)CC2)=C(O)C(C(=O)[O-])=C1	REAL300000527663	0	37	-2.0	-109.55	330.70	2.84	-106.71
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1C	REAL300000527664	0	37	-3.0	-209.05	335.03	4.97	-204.08
CC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1C	REAL300000527664	1	38	-2.0	-112.81	335.95	4.99	-107.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C(O)C(C(=O)[O-])=C1	REAL300000527665	0	34	-3.0	-218.76	323.53	4.96	-213.80
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000527666	0	32	-3.0	-204.65	335.15	4.52	-200.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527667	0	38	-3.0	-208.91	351.75	5.77	-203.14
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527667	1	39	-2.0	-112.03	351.82	5.72	-106.31
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=CS1	REAL300000527668	0	32	-3.0	-210.67	324.79	2.10	-208.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C(O)C(C(=O)[O-])=C1	REAL300000527669	0	38	-3.0	-209.90	357.25	5.83	-204.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C(O)C(C(=O)[O-])=C1	REAL300000527670	0	41	-3.0	-199.02	367.35	4.25	-194.77
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527671	0	40	-3.0	-198.03	362.49	3.55	-194.48
CN(C(C)(C)C)S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527672	0	39	-2.0	-109.99	325.97	2.98	-107.01
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)C2=N1	REAL300000527673	0	36	-3.0	-216.77	346.14	2.02	-214.75
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)O1	REAL300000527674	0	34	-3.0	-203.40	328.61	3.26	-200.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C(O)C(C(=O)[O-])=C1	REAL300000527675	0	31	-3.0	-194.15	326.39	2.88	-191.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)S1	REAL300000527676	0	32	-3.0	-201.19	326.32	2.12	-199.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527677	0	34	-3.0	-197.66	335.20	2.35	-195.31
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527678	0	41	-3.0	-209.92	379.45	4.34	-205.58
CCOCC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527678	1	42	-2.0	-112.33	379.52	4.30	-108.03
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C(O)C(C(=O)[O-])=C1	REAL300000527679	0	34	-3.0	-210.37	323.10	4.63	-205.74
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC=C2CF)=C(O)C(C(=O)[O-])=C1	REAL300000527679	1	35	-2.0	-111.54	324.37	4.64	-106.90
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C(O)C(C(=O)[O-])=C1	REAL300000527680	0	34	-3.0	-209.48	329.53	4.01	-205.47
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527681	0	33	-3.0	-207.41	333.47	3.05	-204.36
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C3SC=NC3=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527681	1	34	-2.0	-111.89	333.35	3.00	-108.89
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=N1	REAL300000527682	0	33	-3.0	-199.95	323.24	0.53	-199.42
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000527683	0	34	-3.0	-198.38	344.20	2.58	-195.80
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C(O)C(C(=O)[O-])=C1	REAL300000527684	0	28	-3.0	-195.68	302.28	2.27	-193.41
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527685	0	38	-3.0	-205.46	360.45	4.03	-201.43
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(OCCF)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527685	1	39	-2.0	-111.85	360.53	3.98	-107.87
O=C([O-])C1=CC(NS(=O)(=O)C=CC2=CC=C(F)C=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527686	0	36	-2.0	-114.28	342.51	4.92	-109.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C(O)C(C(=O)[O-])=C1	REAL300000527687	0	35	-3.0	-205.84	346.36	4.97	-200.87
CC1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527688	0	31	-3.0	-202.41	307.12	2.32	-200.09
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=NN1	REAL300000527689	0	37	-3.0	-201.13	362.90	1.45	-199.68
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527690	0	30	-3.0	-186.90	320.16	2.30	-184.60
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527691	0	37	-3.0	-202.65	346.95	3.59	-199.06
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000527692	0	38	-3.0	-214.75	356.25	5.42	-209.33
CN1C=CC2=CC(S(=O)(=O)NC3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3O)=CC=C21	REAL300000527692	1	39	-2.0	-117.01	356.12	5.37	-111.64
CN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1Cl	REAL300000527693	0	31	-3.0	-197.80	322.39	1.71	-196.09
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)OC=C1	REAL300000527694	0	29	-3.0	-203.81	306.69	2.10	-201.71
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527695	0	33	-3.0	-194.01	330.28	3.06	-190.95
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C2CC2)=N1	REAL300000527696	0	41	-3.0	-206.44	379.33	4.45	-201.99
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(=O)NC(=O)N1	REAL300000527697	0	34	-3.0	-204.99	325.60	-0.62	-205.61
CC(=O)OC1CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C1	REAL300000527698	0	40	-2.0	-112.15	360.83	2.73	-109.42
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527699	0	28	-3.0	-199.91	301.28	2.16	-197.75
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C(O)C(C(=O)[O-])=C1	REAL300000527700	0	28	-3.0	-197.55	311.34	3.17	-194.38
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527701	0	39	-3.0	-197.47	354.81	1.40	-196.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C(O)C(C(=O)[O-])=C1	REAL300000527702	0	38	-3.0	-213.77	346.09	5.83	-207.94
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC=C2C2CC2)=C(O)C(C(=O)[O-])=C1	REAL300000527702	1	39	-2.0	-113.31	347.23	5.81	-107.50
CC1(C)CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)CC1	REAL300000527703	0	43	-2.0	-112.01	353.61	3.62	-108.39
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=N1	REAL300000527704	0	37	-3.0	-197.47	345.38	1.11	-196.36
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C(C)=N1	REAL300000527704	1	38	-2.0	-110.69	346.46	1.15	-109.54
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527705	0	37	-3.0	-210.81	349.94	1.48	-209.33
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C1C	REAL300000527706	0	37	-3.0	-198.40	349.85	1.07	-197.33
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=N1	REAL300000527707	0	40	-3.0	-200.60	365.49	3.79	-196.81
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527708	0	40	-3.0	-202.79	366.11	3.40	-199.39
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=CO1	REAL300000527709	0	29	-3.0	-203.32	305.49	2.07	-201.25
N#CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)SC=C1	REAL300000527710	0	29	-3.0	-207.65	314.59	2.99	-204.66
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527711	0	37	-3.0	-196.80	344.26	2.92	-193.88
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C(O)C(C(=O)[O-])=C1	REAL300000527712	0	38	-3.0	-197.42	354.73	3.76	-193.66
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527713	0	34	-3.0	-199.00	333.60	-0.00	-199.00
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=NN1C(C)C	REAL300000527714	0	40	-3.0	-203.63	367.02	3.41	-200.22
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527715	0	33	-3.0	-198.90	329.88	2.68	-196.22
CC(C)C1CC(CS(=O)(=O)NC2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C1	REAL300000527716	0	44	-2.0	-110.95	374.87	5.28	-105.67
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527717	0	32	-3.0	-206.64	313.55	0.81	-205.83
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC(O)=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527717	1	33	-2.0	-112.07	313.60	0.75	-111.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSN=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527718	0	27	-3.0	-193.19	288.18	1.25	-191.94
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1O	REAL300000527719	0	36	-3.0	-215.98	343.33	3.24	-212.74
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C(C(=O)[O-])O1	REAL300000527720	0	36	-4.0	-271.84	353.13	4.20	-267.64
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)C=C(Cl)S1	REAL300000527721	0	31	-3.0	-197.96	329.08	4.05	-193.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=C(O)C(C(=O)[O-])=C1	REAL300000527722	0	27	-3.0	-198.36	289.12	0.78	-197.58
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C(O)C(C(=O)[O-])=C1	REAL300000527723	0	38	-3.0	-204.67	348.26	2.97	-201.70
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2O)=C1	REAL300000527724	0	34	-3.0	-212.59	329.44	4.39	-208.20
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527725	0	41	-2.0	-132.40	366.62	4.38	-128.02
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527726	0	38	-2.0	-132.01	351.18	3.60	-128.41
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C1O	REAL300000527727	0	37	-2.0	-126.38	332.33	2.78	-123.60
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1O	REAL300000527729	0	32	-2.0	-136.69	304.90	3.22	-133.47
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1O	REAL300000527730	0	34	-3.0	-180.82	329.86	2.66	-178.16
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1O	REAL300000527730	1	35	-2.0	-99.42	329.95	2.61	-96.81
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1O	REAL300000527731	0	31	-2.0	-116.73	308.27	1.58	-115.15
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C1O	REAL300000527732	0	33	-2.0	-124.49	317.25	3.34	-121.15
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1O	REAL300000527734	0	32	-2.0	-123.92	318.62	3.53	-120.39
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=C1O	REAL300000527735	0	33	-2.0	-134.42	314.48	3.21	-131.21
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1O	REAL300000527736	0	32	-2.0	-127.96	312.88	3.64	-124.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1NC(C)=O	REAL300000527737	0	43	-2.0	-141.16	380.18	1.27	-139.89
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=C1O	REAL300000527738	0	36	-2.0	-119.69	342.38	2.74	-116.95
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000527739	0	34	-3.0	-193.87	329.39	3.54	-190.33
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000527739	1	35	-2.0	-100.71	329.44	3.49	-97.22
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C(C)=C(C)C(C)=C2C)=C1O	REAL300000527740	0	47	-2.0	-130.69	373.06	6.10	-124.59
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=C1O	REAL300000527741	0	36	-2.0	-121.86	345.70	5.03	-116.83
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1O	REAL300000527742	0	41	-2.0	-125.91	359.22	2.89	-123.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1[N+](=O)[O-]	REAL300000527743	0	37	-2.0	-125.17	343.28	4.24	-120.93
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=C(O)C(C)=CC(C(=O)[O-])=C1	REAL300000527744	0	35	-2.0	-120.69	312.65	0.77	-119.92
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=C1O	REAL300000527745	0	29	-2.0	-119.66	310.00	2.67	-116.99
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(C(C)(C)C)C=C2C)=C1O	REAL300000527746	0	50	-2.0	-127.78	402.74	6.94	-120.84
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=C1O	REAL300000527747	0	48	-2.0	-127.46	398.27	6.75	-120.71
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1O	REAL300000527748	0	35	-2.0	-119.12	335.13	3.93	-115.19
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1O	REAL300000527749	0	42	-2.0	-130.74	359.13	5.43	-125.31
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300000527750	0	34	-3.0	-180.54	324.85	3.51	-177.03
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300000527750	1	35	-2.0	-109.09	324.81	3.46	-105.63
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527751	0	40	-2.0	-137.86	354.13	2.03	-135.83
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1OC	REAL300000527752	0	40	-2.0	-125.86	355.12	2.15	-123.71
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1O	REAL300000527753	0	39	-2.0	-130.67	341.94	4.84	-125.83
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=C(O)C(C)=CC(C(=O)[O-])=C1	REAL300000527754	0	34	-2.0	-115.16	311.32	1.86	-113.30
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1O	REAL300000527755	0	32	-2.0	-117.76	328.31	3.93	-113.83
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1O	REAL300000527756	0	34	-3.0	-198.16	324.86	3.51	-194.65
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1O	REAL300000527756	1	35	-2.0	-101.07	324.93	3.46	-97.61
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1O	REAL300000527757	0	32	-2.0	-116.39	309.09	3.07	-113.32
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1O	REAL300000527758	0	32	-2.0	-123.92	326.26	4.03	-119.89
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1O	REAL300000527759	0	35	-2.0	-123.95	335.48	3.95	-120.00
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527760	0	35	-2.0	-129.82	317.83	3.61	-126.21
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1O	REAL300000527762	0	35	-2.0	-131.13	322.27	4.33	-126.80
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1O	REAL300000527763	0	32	-2.0	-124.60	313.12	3.46	-121.14
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527764	0	37	-2.0	-125.99	336.86	3.34	-122.65
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527765	0	38	-2.0	-129.95	333.29	4.39	-125.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C	REAL300000527766	0	38	-2.0	-130.63	334.81	4.14	-126.49
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1O	REAL300000527767	0	32	-2.0	-116.79	318.98	3.52	-113.27
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527768	0	37	-2.0	-139.76	339.18	3.42	-136.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(C)=C1	REAL300000527769	0	38	-2.0	-129.06	333.29	4.39	-124.67
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527770	0	38	-2.0	-141.60	341.64	4.33	-137.27
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527771	0	41	-2.0	-121.60	373.03	4.54	-117.06
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1O	REAL300000527772	0	32	-2.0	-125.26	324.72	3.97	-121.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1[N+](=O)[O-]	REAL300000527773	0	38	-2.0	-124.68	351.90	3.69	-120.99
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=C1O	REAL300000527774	0	44	-2.0	-128.12	372.61	5.26	-122.86
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)C)C=C2)=C1O	REAL300000527775	0	41	-2.0	-128.03	356.64	4.86	-123.17
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527776	0	44	-2.0	-127.91	375.08	5.53	-122.38
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527777	0	38	-3.0	-205.19	353.00	3.31	-201.88
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1O	REAL300000527778	0	38	-3.0	-180.92	356.31	4.80	-176.12
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1O	REAL300000527778	1	39	-2.0	-112.08	356.28	4.75	-107.33
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1O	REAL300000527779	0	32	-2.0	-128.23	320.00	4.26	-123.97
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1O	REAL300000527780	0	29	-2.0	-119.56	305.37	2.57	-116.99
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527781	0	41	-2.0	-128.12	360.79	5.15	-122.97
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527782	0	36	-2.0	-136.37	324.65	2.73	-133.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000527783	0	37	-3.0	-200.13	340.88	4.04	-196.09
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000527783	1	38	-2.0	-140.55	340.75	3.99	-136.56
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527784	0	43	-2.0	-134.79	380.73	1.63	-133.16
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1O	REAL300000527785	0	32	-2.0	-120.40	314.46	3.14	-117.26
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1O	REAL300000527786	0	32	-2.0	-118.44	329.87	3.97	-114.47
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1O	REAL300000527787	0	32	-2.0	-128.90	309.53	3.49	-125.41
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1O	REAL300000527788	0	32	-2.0	-124.54	317.69	3.56	-120.98
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1O	REAL300000527789	0	34	-2.0	-124.89	324.61	3.61	-121.28
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527790	0	37	-2.0	-125.13	340.11	4.39	-120.74
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=C1O	REAL300000527791	0	34	-2.0	-117.83	337.06	4.00	-113.83
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CS2)=C1O	REAL300000527792	0	29	-2.0	-126.38	288.32	1.95	-124.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527793	0	36	-2.0	-125.83	325.89	2.25	-123.58
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1O	REAL300000527794	0	34	-2.0	-140.76	314.95	4.33	-136.43
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1O	REAL300000527795	0	34	-3.0	-193.55	337.93	4.09	-189.46
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000527796	0	34	-3.0	-193.09	337.37	3.90	-189.19
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000527796	1	35	-2.0	-98.48	337.42	3.85	-94.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527797	0	35	-2.0	-128.91	317.80	3.62	-125.29
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527798	0	39	-2.0	-125.54	347.75	3.16	-122.38
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1O	REAL300000527799	0	32	-2.0	-122.97	308.29	3.08	-119.89
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1O	REAL300000527800	0	32	-2.0	-124.87	302.80	3.01	-121.86
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1O	REAL300000527801	0	32	-2.0	-117.61	309.23	3.09	-114.52
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1C	REAL300000527802	0	44	-2.0	-129.31	360.48	5.70	-123.61
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1O	REAL300000527803	0	38	-2.0	-128.25	340.88	2.11	-126.14
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(C)=C1	REAL300000527804	0	41	-2.0	-128.20	347.95	5.29	-122.91
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527805	0	47	-2.0	-131.61	388.09	6.04	-125.57
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1O	REAL300000527806	0	32	-2.0	-120.99	313.13	3.47	-117.52
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1O	REAL300000527807	0	32	-2.0	-120.98	317.69	3.57	-117.41
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1O	REAL300000527808	0	34	-2.0	-114.43	324.63	3.61	-110.82
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1O	REAL300000527809	0	32	-2.0	-128.91	296.39	2.95	-125.96
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527810	0	39	-2.0	-134.52	352.78	1.82	-132.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000527811	0	32	-2.0	-127.33	310.21	2.75	-124.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1C	REAL300000527812	0	40	-3.0	-201.31	357.97	4.84	-196.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C)=C2O)=C1C	REAL300000527812	1	41	-2.0	-141.19	358.81	4.87	-136.32
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527813	0	36	-2.0	-128.12	341.38	3.26	-124.86
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=C1O	REAL300000527814	0	34	-2.0	-129.28	334.20	4.88	-124.40
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1O	REAL300000527815	0	34	-3.0	-195.76	330.34	3.57	-192.19
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1O	REAL300000527816	0	29	-2.0	-118.67	319.24	3.10	-115.57
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CCC(C)C)C=C2)=C1O	REAL300000527817	0	47	-2.0	-127.99	399.86	6.45	-121.54
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=C1O	REAL300000527818	0	37	-2.0	-121.13	334.64	4.21	-116.92
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1O	REAL300000527819	0	32	-2.0	-127.46	308.30	3.08	-124.38
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1O	REAL300000527820	0	40	-3.0	-181.10	368.43	5.09	-176.01
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1O	REAL300000527820	1	41	-2.0	-107.47	368.47	5.05	-102.42
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527821	0	42	-2.0	-133.79	373.05	2.65	-131.14
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1O	REAL300000527822	0	36	-2.0	-122.55	332.14	-0.23	-122.78
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527823	0	36	-2.0	-125.73	336.59	3.97	-121.76
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1O	REAL300000527824	0	37	-2.0	-124.07	338.42	1.39	-122.68
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=C1O	REAL300000527825	0	40	-2.0	-125.36	356.24	2.13	-123.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1OCC	REAL300000527826	0	46	-2.0	-126.07	398.83	4.00	-122.07
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)=C1O	REAL300000527827	0	37	-2.0	-124.40	344.67	3.12	-121.28
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1O	REAL300000527828	0	31	-3.0	-189.73	318.04	2.52	-187.21
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1O	REAL300000527829	0	35	-2.0	-122.06	328.16	0.45	-121.61
COC(=O)CCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527830	1	34	-2.0	-120.45	315.07	1.52	-118.93
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527831	0	37	-3.0	-199.26	340.29	4.29	-194.97
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527831	1	38	-2.0	-139.44	341.29	4.33	-135.11
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=C(O)C(C)=CC(C(=O)[O-])=C1	REAL300000527832	0	38	-2.0	-124.50	334.01	2.02	-122.48
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1C	REAL300000527833	0	40	-2.0	-124.76	357.82	4.95	-119.81
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527834	0	38	-2.0	-122.03	351.17	3.61	-118.42
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527835	0	39	-2.0	-126.39	352.83	1.23	-125.16
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)=C1O	REAL300000527836	0	37	-2.0	-126.86	350.58	-2.10	-128.96
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)=C1O	REAL300000527837	0	43	-2.0	-135.17	374.20	4.06	-131.11
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527838	0	41	-2.0	-139.57	368.66	4.66	-134.91
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=C1O	REAL300000527839	0	36	-2.0	-126.22	330.91	-0.27	-126.49
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3O)=CC=C21	REAL300000527840	0	43	-2.0	-136.11	375.66	3.99	-132.12
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527841	0	38	-2.0	-128.35	339.30	4.38	-123.97
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1O	REAL300000527842	0	38	-2.0	-131.53	342.33	5.23	-126.30
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=CS1	REAL300000527843	0	35	-2.0	-137.57	335.98	3.27	-134.30
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527844	0	42	-2.0	-127.09	372.97	3.44	-123.65
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(C)=C1	REAL300000527845	1	42	-2.0	-125.35	355.98	3.92	-121.43
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1O	REAL300000527846	0	38	-3.0	-179.45	355.94	3.77	-175.68
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1O	REAL300000527846	1	39	-2.0	-107.48	355.95	3.74	-103.74
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C	REAL300000527847	0	46	-2.0	-128.82	401.46	3.19	-125.63
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=C1O	REAL300000527848	0	43	-2.0	-129.71	380.64	7.05	-122.66
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CC(C)C)C=C2)=C1O	REAL300000527849	0	44	-2.0	-128.53	377.56	5.62	-122.91
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1O	REAL300000527850	0	32	-2.0	-120.08	302.80	3.02	-117.06
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1O	REAL300000527851	0	32	-2.0	-132.62	301.90	3.00	-129.62
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)=C1O	REAL300000527852	0	37	-2.0	-123.47	351.53	1.95	-121.52
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C1O	REAL300000527853	0	37	-2.0	-123.31	338.78	3.46	-119.85
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527854	0	38	-2.0	-141.58	349.28	1.53	-140.05
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3O)=C2N=C1	REAL300000527855	0	40	-2.0	-145.99	357.73	4.22	-141.77
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527856	0	42	-2.0	-124.99	369.25	3.96	-121.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(Cl)=C1	REAL300000527857	0	35	-2.0	-128.53	330.94	4.17	-124.36
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1O	REAL300000527858	0	36	-2.0	-130.05	341.15	3.21	-126.84
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=C1O	REAL300000527859	0	38	-2.0	-123.39	347.15	0.19	-123.20
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)=C1O	REAL300000527860	0	37	-2.0	-131.31	350.58	-2.10	-133.41
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)=C1O	REAL300000527861	0	40	-2.0	-124.18	359.24	3.36	-120.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C([N+](=O)[O-])=C1	REAL300000527862	0	38	-2.0	-134.64	346.94	3.66	-130.98
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)=C1O	REAL300000527863	0	38	-2.0	-122.08	352.94	-0.06	-122.14
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)=C1O	REAL300000527864	0	39	-2.0	-120.19	362.25	2.20	-117.99
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=C1O	REAL300000527865	0	37	-2.0	-120.18	344.10	4.45	-115.73
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)=C1O	REAL300000527866	0	38	-2.0	-122.79	350.54	2.90	-119.89
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=C1O	REAL300000527867	0	36	-2.0	-122.01	342.39	2.74	-119.27
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=C1O	REAL300000527868	0	38	-2.0	-131.19	357.09	0.45	-130.74
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527869	0	35	-2.0	-120.26	318.27	3.79	-116.47
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=C1O	REAL300000527870	0	42	-2.0	-131.18	366.21	6.81	-124.37
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1O	REAL300000527871	0	32	-2.0	-119.71	315.92	3.58	-116.13
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=C1O	REAL300000527872	0	44	-2.0	-133.26	382.33	2.28	-130.98
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(F)=C1	REAL300000527873	0	39	-2.0	-137.91	358.24	1.90	-136.01
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=C1O	REAL300000527874	0	38	-2.0	-134.83	357.10	0.46	-134.37
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)=C1O	REAL300000527875	0	41	-2.0	-128.24	370.61	5.65	-122.59
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1OC	REAL300000527877	0	40	-2.0	-127.75	360.60	2.21	-125.54
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1OC	REAL300000527878	0	43	-2.0	-127.28	370.57	2.91	-124.37
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1O	REAL300000527879	0	35	-3.0	-194.79	331.52	2.85	-191.94
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=C1O	REAL300000527880	0	32	-2.0	-133.73	313.86	2.51	-131.22
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=C1O	REAL300000527881	0	37	-2.0	-124.66	338.35	-0.89	-125.55
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527882	0	38	-3.0	-201.73	348.64	2.35	-199.38
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527882	1	39	-2.0	-140.88	350.05	2.36	-138.52
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527883	0	38	-2.0	-130.66	364.25	4.17	-126.49
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527884	0	43	-2.0	-127.44	381.37	2.44	-125.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1Cl	REAL300000527885	0	36	-2.0	-123.35	341.91	2.81	-120.54
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1F	REAL300000527886	0	36	-2.0	-122.97	332.11	2.32	-120.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C	REAL300000527887	0	39	-2.0	-126.92	345.96	2.99	-123.93
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C	REAL300000527888	0	42	-2.0	-126.79	367.84	3.92	-122.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(N)=O	REAL300000527889	0	39	-2.0	-121.84	346.98	0.40	-121.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(N)=O	REAL300000527890	0	40	-2.0	-122.90	358.21	0.33	-122.57
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2)=C1O	REAL300000527891	0	32	-2.0	-122.94	300.94	0.65	-122.29
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527892	0	37	-2.0	-115.07	340.10	4.38	-110.69
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CN1C	REAL300000527894	0	40	-2.0	-125.37	360.29	0.60	-124.77
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527895	0	35	-2.0	-125.00	328.61	4.24	-120.76
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OCC(C)C)C=C2)=C1O	REAL300000527896	0	45	-2.0	-125.05	389.35	4.65	-120.40
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3O)C=N2)C=C1	REAL300000527897	0	42	-2.0	-124.30	378.36	4.74	-119.56
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOC2=CC=C(F)C=C2)=C1O	REAL300000527898	0	39	-2.0	-119.24	355.91	3.37	-115.87
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)=C1O	REAL300000527899	0	43	-2.0	-126.66	371.88	3.07	-123.59
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C	REAL300000527900	0	42	-2.0	-126.53	369.98	3.83	-122.70
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)=C1O	REAL300000527901	0	40	-2.0	-126.67	359.94	2.80	-123.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527902	0	34	-3.0	-183.83	333.97	3.19	-180.64
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=C1O	REAL300000527904	0	33	-2.0	-116.18	332.64	3.75	-112.43
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000527905	0	40	-3.0	-201.32	356.30	4.82	-196.50
CC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000527905	1	41	-2.0	-140.47	357.31	4.87	-135.60
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C1O	REAL300000527906	0	36	-2.0	-132.92	334.76	3.31	-129.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C2=CC=CN=C12	REAL300000527907	0	41	-2.0	-130.04	361.69	2.73	-127.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1Cl	REAL300000527908	0	35	-2.0	-125.39	331.86	4.05	-121.34
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1O	REAL300000527909	0	32	-2.0	-128.68	318.06	3.51	-125.17
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1OC(C)C	REAL300000527910	0	45	-2.0	-126.91	385.73	4.54	-122.37
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527911	0	38	-2.0	-120.99	352.86	3.41	-117.58
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C2=CC=CC=C12	REAL300000527912	0	42	-2.0	-134.77	365.75	4.61	-130.16
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1F	REAL300000527913	0	35	-2.0	-125.19	323.11	3.66	-121.53
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527914	0	35	-2.0	-121.24	328.60	4.23	-117.01
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527915	0	35	-2.0	-133.45	323.31	3.68	-129.77
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527916	0	35	-2.0	-125.30	318.29	3.79	-121.51
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C1O	REAL300000527917	0	38	-2.0	-126.96	356.45	5.01	-121.95
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=C1O	REAL300000527918	0	37	-2.0	-139.71	330.03	5.19	-134.52
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)=C1O	REAL300000527919	0	40	-2.0	-127.64	361.68	2.19	-125.45
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)=C1O	REAL300000527920	0	42	-2.0	-138.83	368.54	2.80	-136.03
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)=C1O	REAL300000527921	0	46	-2.0	-125.22	391.05	5.16	-120.06
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527922	0	40	-2.0	-146.29	357.65	4.23	-142.06
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OCCC(C)C)C=C2)=C1O	REAL300000527923	0	48	-2.0	-124.62	408.31	5.26	-119.36
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527924	0	42	-2.0	-128.66	382.25	3.86	-124.80
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1O	REAL300000527925	0	31	-3.0	-191.95	316.52	2.53	-189.42
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(C)=C2Cl)=C1O	REAL300000527926	0	35	-2.0	-129.15	338.72	4.84	-124.31
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527927	0	41	-2.0	-135.04	372.58	1.24	-133.80
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=C1O	REAL300000527928	0	34	-2.0	-113.98	337.74	4.18	-109.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000527929	0	38	-3.0	-204.20	352.14	3.58	-200.62
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000527929	1	39	-2.0	-105.57	352.09	3.52	-102.05
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)=C1O	REAL300000527930	0	40	-2.0	-128.94	346.50	4.32	-124.62
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=C1O	REAL300000527931	0	29	-2.0	-126.88	308.70	2.51	-124.37
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1O	REAL300000527932	0	39	-2.0	-122.86	359.99	1.63	-121.23
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527933	0	45	-2.0	-137.34	399.80	2.73	-134.61
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1O	REAL300000527934	0	34	-2.0	-132.63	323.87	4.44	-128.19
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1O	REAL300000527935	0	43	-3.0	-203.27	378.76	5.52	-197.75
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1O	REAL300000527935	1	44	-2.0	-145.33	376.77	5.12	-140.21
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1O	REAL300000527936	0	42	-2.0	-128.66	370.59	6.35	-122.31
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1O	REAL300000527937	0	34	-2.0	-135.09	329.79	4.32	-130.77
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527938	0	41	-2.0	-137.49	376.41	1.46	-136.03
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527939	0	43	-2.0	-138.60	387.14	2.62	-135.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(C)=C1	REAL300000527940	0	39	-2.0	-126.35	341.35	3.01	-123.34
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C	REAL300000527941	0	42	-2.0	-128.24	361.00	3.76	-124.48
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)=C1O	REAL300000527942	0	43	-2.0	-139.26	384.47	2.93	-136.33
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527943	0	36	-2.0	-132.64	327.58	1.30	-131.34
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527944	0	40	-3.0	-200.31	354.98	5.23	-195.08
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527944	1	41	-2.0	-139.19	358.82	5.19	-134.00
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1O	REAL300000527945	0	35	-2.0	-129.53	335.92	3.83	-125.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527946	0	41	-3.0	-205.54	375.29	4.07	-201.47
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000527947	0	36	-4.0	-280.82	353.26	4.07	-276.75
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1O	REAL300000527947	1	37	-3.0	-195.08	353.25	4.01	-191.07
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000527948	0	35	-2.0	-119.68	344.27	2.70	-116.98
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1O	REAL300000527949	0	41	-3.0	-204.76	369.10	5.40	-199.36
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1O	REAL300000527949	1	42	-2.0	-141.39	369.37	5.45	-135.94
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C	REAL300000527950	0	40	-2.0	-138.12	356.60	5.57	-132.55
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C1O	REAL300000527951	0	36	-2.0	-118.24	334.21	3.32	-114.92
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1O	REAL300000527952	0	32	-2.0	-124.99	311.31	3.29	-121.70
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000527953	0	42	-2.0	-135.86	392.19	1.89	-133.97
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000527954	0	42	-2.0	-125.33	389.60	1.93	-123.40
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000527955	0	34	-3.0	-187.89	327.86	2.64	-185.25
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1O	REAL300000527956	0	35	-2.0	-150.28	324.58	2.15	-148.13
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527957	0	38	-2.0	-133.86	356.66	3.66	-130.20
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527958	0	42	-2.0	-138.33	367.92	4.31	-134.02
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)=C1O	REAL300000527959	0	35	-2.0	-116.00	340.71	4.01	-111.99
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527960	0	48	-2.0	-124.67	412.24	5.53	-119.14
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1O	REAL300000527961	0	34	-2.0	-139.68	330.11	5.10	-134.58
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1O	REAL300000527962	0	37	-2.0	-137.80	344.73	3.12	-134.68
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1O	REAL300000527963	0	31	-2.0	-117.31	312.72	1.74	-115.57
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527964	0	46	-2.0	-127.47	403.23	3.40	-124.07
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1O	REAL300000527965	0	34	-2.0	-144.48	322.42	4.58	-139.90
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527966	0	38	-3.0	-197.26	353.84	2.60	-194.66
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1O	REAL300000527967	0	39	-2.0	-124.54	356.97	4.06	-120.48
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1O	REAL300000527968	0	42	-2.0	-124.18	382.37	4.51	-119.67
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1O	REAL300000527969	0	31	-2.0	-117.18	297.80	1.22	-115.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(F)(F)F	REAL300000527970	0	38	-2.0	-124.69	350.82	4.46	-120.23
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)=C1O	REAL300000527971	0	42	-2.0	-123.75	376.66	3.85	-119.90
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527972	0	35	-2.0	-126.08	344.45	2.61	-123.47
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527973	0	40	-2.0	-125.34	354.83	5.34	-120.00
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=C1O	REAL300000527974	0	37	-2.0	-129.65	332.55	3.38	-126.27
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1O	REAL300000527975	0	31	-2.0	-117.25	321.54	2.08	-115.17
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1OCC(=O)[O-]	REAL300000527976	0	41	-3.0	-179.97	376.02	4.50	-175.47
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1OCC(=O)[O-]	REAL300000527976	1	42	-2.0	-107.98	376.00	4.45	-103.53
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C=N2)=C1O	REAL300000527977	0	32	-2.0	-135.05	300.42	2.04	-133.01
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(C)=C1	REAL300000527978	0	42	-2.0	-126.03	363.21	3.94	-122.09
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=C(O)C(C)=CC(C(=O)[O-])=C3)C=C12	REAL300000527979	0	40	-2.0	-120.44	362.73	2.68	-117.76
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(O)C(C)=CC(C(=O)[O-])=C3)C=C12	REAL300000527980	0	36	-2.0	-114.81	336.15	-0.07	-114.88
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=C1O	REAL300000527982	0	41	-2.0	-130.31	377.95	5.79	-124.52
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1O	REAL300000527983	0	32	-2.0	-129.49	308.17	3.07	-126.42
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(F)=C1	REAL300000527984	0	36	-2.0	-131.03	334.38	2.53	-128.50
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527985	0	38	-2.0	-136.49	358.35	4.85	-131.64
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1O	REAL300000527986	0	34	-2.0	-132.45	334.20	4.89	-127.56
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1O	REAL300000527987	0	37	-3.0	-189.33	345.57	4.32	-185.01
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1O	REAL300000527987	1	38	-2.0	-129.17	346.44	4.36	-124.81
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1O	REAL300000527988	0	38	-2.0	-134.47	339.53	2.59	-131.88
CC1=NC(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)=CN1C	REAL300000527989	0	35	-2.0	-136.54	319.92	1.83	-134.71
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1O	REAL300000527990	0	38	-3.0	-177.49	362.15	3.86	-173.63
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1O	REAL300000527990	1	39	-2.0	-112.69	362.24	3.81	-108.88
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1O	REAL300000527991	0	36	-2.0	-130.90	334.41	2.99	-127.91
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527992	0	41	-2.0	-131.61	373.06	4.53	-127.08
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=N1	REAL300000527993	0	35	-2.0	-123.20	322.47	1.51	-121.69
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000527994	0	44	-2.0	-121.15	394.52	5.33	-115.82
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000527995	0	39	-2.0	-131.19	351.47	2.67	-128.52
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000527996	0	38	-2.0	-136.51	348.02	4.41	-132.10
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=C1O	REAL300000527997	0	35	-2.0	-126.23	340.95	4.02	-122.21
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)=C1O	REAL300000527998	0	35	-2.0	-121.29	328.67	4.40	-116.89
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1O	REAL300000527999	0	32	-2.0	-125.10	328.46	3.05	-122.05
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000528000	0	41	-3.0	-203.02	373.99	4.48	-198.54
CCOC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000528000	1	42	-2.0	-147.37	374.02	4.43	-142.94
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1O	REAL300000528001	0	37	-2.0	-126.34	332.38	2.24	-124.10
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1F	REAL300000528002	0	41	-2.0	-118.68	377.58	4.55	-114.13
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1O	REAL300000528003	0	32	-2.0	-123.97	315.93	3.58	-120.39
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3O)C=C2)=CO1	REAL300000528004	0	41	-2.0	-130.72	372.80	2.02	-128.70
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOCC(F)(F)F)=C1O	REAL300000528005	0	35	-2.0	-118.07	334.71	1.19	-116.88
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OC(C)CC3=C2)=C1O	REAL300000528006	0	40	-2.0	-126.77	353.32	3.54	-123.23
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=C1O	REAL300000528007	0	36	-2.0	-119.61	340.70	-0.21	-119.82
CC1=NNC=C1S(=O)(=O)[N-]C1=C(O)C(C)=CC(C(=O)[O-])=C1	REAL300000528008	0	32	-2.0	-120.89	296.78	0.00	-120.89
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528009	0	36	-2.0	-130.64	325.89	2.25	-128.39
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528010	0	35	-2.0	-129.07	311.88	3.72	-125.35
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000528011	0	38	-2.0	-129.85	358.03	1.17	-128.68
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000528011	1	37	-3.0	-189.51	353.75	0.07	-189.44
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=NN(C)C=C2)=C1O	REAL300000528012	0	32	-2.0	-132.83	301.23	0.48	-132.35
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C)=C1O	REAL300000528013	0	32	-2.0	-117.53	296.63	0.58	-116.95
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2CCCO2)=C1O	REAL300000528015	0	36	-2.0	-131.80	315.74	1.17	-130.63
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2CCCCO2)=C1O	REAL300000528016	0	39	-2.0	-129.62	333.25	2.24	-127.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(F)=C1	REAL300000528019	0	35	-2.0	-132.04	323.31	3.68	-128.36
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1F	REAL300000528020	0	35	-2.0	-120.80	323.11	3.65	-117.15
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)O1	REAL300000528021	0	35	-2.0	-119.27	335.95	1.74	-117.53
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1O	REAL300000528022	0	37	-2.0	-145.41	336.33	3.58	-141.83
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=C1O	REAL300000528023	0	38	-2.0	-132.12	362.82	3.63	-128.49
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1O	REAL300000528024	0	32	-2.0	-117.86	314.56	3.13	-114.73
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000528025	0	34	-3.0	-193.84	333.48	3.40	-190.44
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1C	REAL300000528026	0	41	-2.0	-129.30	360.72	4.26	-125.04
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528027	0	36	-2.0	-129.92	339.00	2.81	-127.11
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CN=C1Cl	REAL300000528028	0	34	-2.0	-117.68	327.05	2.16	-115.52
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528029	0	38	-2.0	-136.48	354.55	0.53	-135.95
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(C)=C1C	REAL300000528030	0	42	-2.0	-127.19	357.73	3.65	-123.54
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000528031	0	41	-2.0	-134.53	373.35	4.39	-130.14
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3O)C=C21	REAL300000528033	0	43	-2.0	-152.01	375.57	4.00	-148.01
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(O)C(C)=CC(C(=O)[O-])=C1	REAL300000528034	0	44	-2.0	-125.02	374.50	3.57	-121.45
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)SC=C1	REAL300000528035	0	32	-2.0	-127.53	304.62	2.77	-124.76
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528036	0	38	-2.0	-124.44	367.93	4.11	-120.33
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1C	REAL300000528037	0	41	-2.0	-125.36	354.91	2.85	-122.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C	REAL300000528038	0	41	-2.0	-122.57	367.20	4.14	-118.43
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1[N+](=O)[O-]	REAL300000528039	0	37	-2.0	-115.22	340.61	4.12	-111.10
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=C1O	REAL300000528042	0	40	-2.0	-141.43	355.99	1.39	-140.04
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)=C1O	REAL300000528043	0	41	-2.0	-142.89	381.43	1.15	-141.74
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528044	0	36	-2.0	-124.67	332.66	4.11	-120.56
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1F	REAL300000528045	0	39	-2.0	-134.27	357.58	1.96	-132.31
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1[N+](=O)[O-]	REAL300000528046	0	37	-2.0	-126.64	346.08	4.21	-122.43
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)=C1O	REAL300000528047	0	44	-2.0	-126.89	348.63	5.63	-121.26
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=C3OC(C)CC3=C2)=C1O	REAL300000528048	0	40	-2.0	-123.43	370.18	4.06	-119.37
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1C	REAL300000528049	0	42	-2.0	-147.05	370.99	2.74	-144.31
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528050	0	36	-2.0	-129.77	334.04	3.42	-126.35
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528051	0	36	-2.0	-120.05	332.64	4.10	-115.95
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528052	0	44	-2.0	-126.74	358.27	6.40	-120.34
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)=C1O	REAL300000528054	0	41	-2.0	-134.61	365.09	3.01	-131.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1OC	REAL300000528055	0	42	-2.0	-124.93	378.47	3.65	-121.28
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3O)C=C2O1	REAL300000528057	0	37	-2.0	-124.54	340.04	0.61	-123.93
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=C1O	REAL300000528058	0	38	-2.0	-123.38	341.15	2.03	-121.35
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)=C1O	REAL300000528059	0	37	-2.0	-146.44	338.91	-0.60	-147.04
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1O	REAL300000528060	0	37	-2.0	-128.37	337.38	3.32	-125.05
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=N1	REAL300000528061	0	38	-2.0	-129.08	355.78	1.72	-127.36
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=C1O	REAL300000528062	0	38	-2.0	-132.79	340.37	1.37	-131.42
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC=N1	REAL300000528066	0	41	-2.0	-129.81	368.63	4.32	-125.49
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000528067	0	43	-2.0	-121.31	378.99	2.58	-118.73
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1O	REAL300000528068	0	32	-2.0	-110.56	315.39	3.13	-107.43
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=C1O	REAL300000528069	0	43	-2.0	-125.11	378.86	4.77	-120.34
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOC(C)C)=C1O	REAL300000528070	0	38	-2.0	-120.35	335.41	1.47	-118.88
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CN1C	REAL300000528071	0	39	-2.0	-130.36	357.57	3.05	-127.31
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000528072	0	47	-2.0	-128.07	386.84	5.73	-122.34
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1O	REAL300000528073	0	34	-3.0	-178.35	337.90	4.08	-174.27
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1O	REAL300000528074	0	34	-3.0	-178.85	329.37	3.55	-175.30
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1O	REAL300000528074	1	35	-2.0	-113.41	329.39	3.50	-109.91
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)=C1O	REAL300000528075	0	40	-2.0	-137.20	362.88	2.36	-134.84
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=C1O	REAL300000528076	0	39	-2.0	-127.36	361.36	4.22	-123.14
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000528077	0	42	-2.0	-136.81	363.77	3.16	-133.65
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)=C1O	REAL300000528078	0	38	-2.0	-121.59	343.43	4.29	-117.30
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=C1O	REAL300000528079	0	35	-2.0	-119.86	341.21	1.01	-118.85
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1O	REAL300000528080	0	31	-3.0	-182.86	317.11	2.64	-180.22
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=C1O	REAL300000528081	0	41	-2.0	-135.70	360.95	4.20	-131.50
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1O	REAL300000528082	0	34	-3.0	-185.78	331.29	3.58	-182.20
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1O	REAL300000528082	1	35	-2.0	-129.20	331.30	3.53	-125.67
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1O	REAL300000528083	0	37	-3.0	-197.51	350.61	4.21	-193.30
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)=C1O	REAL300000528084	0	46	-2.0	-124.04	389.21	5.01	-119.03
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CN1	REAL300000528085	0	36	-2.0	-126.58	339.80	1.28	-125.30
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1O	REAL300000528086	0	34	-3.0	-180.46	330.32	3.58	-176.88
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1O	REAL300000528087	0	34	-3.0	-177.66	337.35	3.91	-173.75
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1O	REAL300000528087	1	35	-2.0	-108.84	337.36	3.85	-104.99
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C)=C1O	REAL300000528088	0	35	-2.0	-123.77	317.19	3.75	-120.02
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1C	REAL300000528089	0	41	-2.0	-125.00	367.25	4.12	-120.88
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CS1	REAL300000528090	0	35	-2.0	-125.83	343.67	2.62	-123.21
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1F	REAL300000528091	0	38	-2.0	-118.44	355.72	3.63	-114.81
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000528092	0	34	-2.0	-123.49	321.63	1.52	-121.97
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=C1O	REAL300000528093	0	36	-2.0	-134.63	338.65	4.11	-130.52
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)=C1O	REAL300000528094	0	40	-2.0	-113.93	354.75	5.29	-108.64
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1O	REAL300000528095	0	40	-2.0	-141.37	362.53	-0.89	-142.26
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1O	REAL300000528098	0	37	-3.0	-191.75	354.30	4.70	-187.05
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1O	REAL300000528098	1	38	-2.0	-130.72	355.14	4.74	-125.98
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528099	0	38	-2.0	-124.43	350.62	4.72	-119.71
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528100	0	38	-2.0	-130.27	339.30	4.38	-125.89
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=C1O	REAL300000528101	0	35	-2.0	-124.21	352.04	4.89	-119.32
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528102	0	35	-2.0	-124.92	324.23	3.68	-121.24
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528104	0	38	-2.0	-120.94	354.28	2.40	-118.54
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=C1O	REAL300000528105	0	38	-2.0	-123.06	347.77	2.00	-121.06
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000528106	0	34	-3.0	-183.53	335.68	3.60	-179.93
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000528106	1	35	-2.0	-99.18	335.69	3.55	-95.63
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1O	REAL300000528107	0	36	-3.0	-180.25	353.05	4.18	-176.07
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=C1O	REAL300000528108	0	35	-2.0	-128.73	349.75	4.82	-123.91
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528109	0	42	-2.0	-138.98	379.33	3.40	-135.58
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528110	0	44	-2.0	-132.66	384.29	4.92	-127.74
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)=C1O	REAL300000528111	0	43	-2.0	-126.62	373.84	4.18	-122.44
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C(F)C=C1F	REAL300000528112	0	35	-2.0	-122.82	328.60	3.69	-119.13
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=C1O	REAL300000528113	0	38	-2.0	-136.67	348.16	5.99	-130.68
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1O	REAL300000528114	0	38	-2.0	-137.85	337.44	5.26	-132.59
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1O	REAL300000528115	0	34	-2.0	-124.20	328.40	2.42	-121.78
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1O	REAL300000528116	0	35	-3.0	-200.41	334.58	1.21	-199.20
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1O	REAL300000528117	0	42	-2.0	-133.70	351.71	5.58	-128.12
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1O	REAL300000528118	0	37	-3.0	-187.81	347.04	4.28	-183.53
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1O	REAL300000528118	1	38	-2.0	-110.49	347.07	4.24	-106.25
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1Cl	REAL300000528119	0	39	-2.0	-128.05	366.27	2.47	-125.58
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)O1	REAL300000528120	0	38	-2.0	-120.04	357.80	2.66	-117.38
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1O	REAL300000528121	0	34	-2.0	-115.12	331.04	3.68	-111.44
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528122	0	37	-2.0	-138.74	352.23	4.00	-134.74
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)=C1O	REAL300000528123	0	44	-2.0	-126.42	387.14	4.47	-121.95
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)=C1O	REAL300000528124	0	35	-2.0	-131.49	339.12	3.64	-127.85
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)SC=C1	REAL300000528125	0	33	-2.0	-137.99	318.56	1.23	-136.76
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528126	0	41	-2.0	-134.07	378.56	1.37	-132.70
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300000528127	0	38	-2.0	-125.20	353.14	4.05	-121.15
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1O	REAL300000528128	0	35	-2.0	-128.60	326.17	3.33	-125.27
CC1=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3O)C=CC=C2C=C1	REAL300000528129	0	40	-2.0	-147.37	357.91	4.18	-143.19
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)=C1O	REAL300000528130	0	43	-2.0	-123.01	379.71	2.44	-120.57
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=C1O	REAL300000528131	0	38	-2.0	-128.39	351.81	5.68	-122.71
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)SC2=CC=CC(F)=C12	REAL300000528132	0	38	-2.0	-130.49	353.89	5.15	-125.34
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)=C1O	REAL300000528133	0	37	-2.0	-125.81	350.41	4.32	-121.49
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528134	0	34	-2.0	-130.45	329.64	1.70	-128.75
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])=C1O	REAL300000528135	1	40	-2.0	-137.30	360.55	4.87	-132.43
CC1=NN2C=C(S(=O)(=O)[N-]C3=C(O)C(C)=CC(C(=O)[O-])=C3)C=NC2=C1Cl	REAL300000528136	0	37	-2.0	-114.15	357.40	2.89	-111.26
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)=C1O	REAL300000528137	0	34	-2.0	-118.97	344.68	2.86	-116.11
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=C1O	REAL300000528138	0	32	-2.0	-114.74	311.37	1.90	-112.84
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=C1O	REAL300000528139	0	32	-2.0	-128.63	316.75	1.75	-126.88
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528140	0	40	-2.0	-131.03	355.40	1.55	-129.48
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1O	REAL300000528141	0	33	-2.0	-130.46	312.24	1.68	-128.78
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1C	REAL300000528142	0	40	-2.0	-140.89	347.47	5.74	-135.15
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=C1O	REAL300000528143	0	33	-2.0	-117.20	318.61	0.78	-116.42
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000528144	0	31	-2.0	-122.59	304.92	0.77	-121.82
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1Cl	REAL300000528145	0	38	-2.0	-118.83	363.70	3.99	-114.84
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528146	0	37	-2.0	-116.84	344.60	4.42	-112.42
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1O	REAL300000528147	0	37	-3.0	-191.03	334.90	4.15	-186.88
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1O	REAL300000528147	1	38	-2.0	-104.57	335.78	4.17	-100.40
COCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528148	0	39	-2.0	-122.61	348.77	-0.01	-122.62
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=C1O	REAL300000528149	0	39	-2.0	-147.44	361.00	0.81	-146.63
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000528150	0	37	-3.0	-193.53	349.71	4.16	-189.37
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1O	REAL300000528150	1	38	-2.0	-140.56	349.71	4.11	-136.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528151	0	37	-3.0	-181.51	340.27	4.28	-177.23
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528151	1	38	-2.0	-113.85	341.27	4.32	-109.53
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528152	0	38	-2.0	-132.45	355.35	4.05	-128.40
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C(C)N1	REAL300000528154	0	45	-2.0	-125.62	392.41	3.63	-121.99
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1F	REAL300000528155	0	35	-2.0	-127.14	328.58	3.72	-123.42
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1[N+](=O)[O-]	REAL300000528156	0	38	-2.0	-114.65	351.93	3.69	-110.96
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC(C(=O)[O-])=C1C	REAL300000528157	0	40	-3.0	-200.62	357.77	4.58	-196.04
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C)=C2O)=CC(C(=O)[O-])=C1C	REAL300000528157	1	41	-2.0	-101.50	358.37	4.56	-96.94
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1O	REAL300000528158	0	38	-2.0	-138.82	354.13	5.77	-133.05
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1O	REAL300000528159	0	36	-3.0	-192.68	351.41	4.61	-188.07
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1O	REAL300000528160	0	35	-2.0	-124.12	341.73	4.44	-119.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1CC	REAL300000528161	0	44	-2.0	-130.59	373.48	5.51	-125.08
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1O	REAL300000528162	0	34	-3.0	-185.57	336.59	3.63	-181.94
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)=C1O	REAL300000528163	0	37	-2.0	-115.40	349.46	4.28	-111.12
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528164	0	38	-2.0	-132.72	358.35	4.85	-127.87
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1O	REAL300000528165	0	31	-2.0	-123.34	315.36	2.40	-120.94
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=C1O	REAL300000528166	0	38	-2.0	-134.30	341.85	3.33	-130.97
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=N1	REAL300000528167	0	37	-2.0	-117.26	347.14	1.78	-115.48
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1O	REAL300000528168	0	31	-2.0	-115.10	321.82	2.13	-112.97
CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000528169	0	40	-3.0	-196.02	358.39	4.92	-191.10
CC1=CC=C(S(=O)(=O)NC2=C(O)C(C)=CC(C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000528169	1	41	-2.0	-108.28	359.71	4.92	-103.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000528170	0	37	-3.0	-197.53	346.33	4.11	-193.42
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1O	REAL300000528171	0	37	-3.0	-195.72	356.64	4.65	-191.07
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528172	0	37	-3.0	-202.11	349.87	4.20	-197.91
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1O	REAL300000528173	0	32	-2.0	-113.88	323.64	3.42	-110.46
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528174	0	40	-2.0	-139.72	359.49	4.22	-135.50
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=N1	REAL300000528175	0	39	-2.0	-121.81	356.15	0.55	-121.26
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C([N+](=O)[O-])=N1	REAL300000528176	0	37	-2.0	-130.52	346.70	3.79	-126.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000528177	0	40	-3.0	-199.26	359.16	4.70	-194.56
CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000528177	1	41	-2.0	-141.11	359.10	4.64	-136.47
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1O	REAL300000528178	0	43	-2.0	-123.97	373.56	1.48	-122.49
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)=C1O	REAL300000528181	0	36	-2.0	-135.37	333.64	3.72	-131.65
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528182	0	37	-3.0	-181.57	345.33	3.44	-178.13
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528182	1	38	-2.0	-116.72	346.35	3.47	-113.25
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=C1O	REAL300000528183	0	41	-2.0	-127.65	369.39	4.59	-123.06
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528184	0	38	-2.0	-134.64	343.73	3.69	-130.95
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1O	REAL300000528185	0	40	-2.0	-121.73	354.44	0.69	-121.04
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)=C1O	REAL300000528186	0	39	-2.0	-128.85	360.76	3.47	-125.38
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=C1O	REAL300000528187	0	35	-2.0	-133.61	322.21	3.65	-129.96
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=N1	REAL300000528188	0	38	-2.0	-119.57	345.44	0.55	-119.02
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1O	REAL300000528189	0	39	-2.0	-136.89	342.35	2.96	-133.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1CC(=O)[O-]	REAL300000528190	0	41	-3.0	-199.62	375.32	3.64	-195.98
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C)=C2O)C=C1CC(=O)[O-]	REAL300000528190	1	42	-2.0	-102.99	375.33	3.59	-99.40
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000528191	0	39	-2.0	-128.46	351.46	2.67	-125.79
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528192	0	37	-2.0	-133.38	335.67	-0.08	-133.46
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)=C1O	REAL300000528193	0	35	-2.0	-129.93	328.26	4.08	-125.85
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C(C)O1	REAL300000528195	0	35	-2.0	-125.61	319.34	2.53	-123.08
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=C1O	REAL300000528196	0	38	-2.0	-132.29	342.65	0.62	-131.67
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=C1O	REAL300000528197	0	40	-2.0	-127.84	350.12	3.58	-124.26
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528198	0	41	-2.0	-123.42	379.47	4.59	-118.83
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528199	0	39	-2.0	-127.29	343.01	2.98	-124.31
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C(C(=O)OC)O1	REAL300000528200	0	41	-2.0	-121.42	373.39	3.36	-118.06
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)C=C2)=C1O	REAL300000528201	0	42	-2.0	-125.74	365.67	3.79	-121.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)O1	REAL300000528202	0	32	-2.0	-126.42	300.99	1.76	-124.66
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528203	0	35	-2.0	-128.27	328.61	3.31	-124.96
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1O	REAL300000528204	0	35	-2.0	-123.62	322.46	1.61	-122.01
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=C1O	REAL300000528205	0	40	-2.0	-145.57	350.03	4.71	-140.86
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1O	REAL300000528206	0	38	-2.0	-139.57	345.66	4.95	-134.62
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528207	0	38	-2.0	-131.79	348.02	4.41	-127.38
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1O	REAL300000528208	0	34	-2.0	-111.67	329.13	3.64	-108.03
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1O	REAL300000528209	0	37	-3.0	-183.90	351.12	4.69	-179.21
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1O	REAL300000528209	1	38	-2.0	-101.81	352.49	4.68	-97.13
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1O	REAL300000528210	0	32	-2.0	-117.94	319.56	3.53	-114.41
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C(C)O1	REAL300000528211	0	38	-2.0	-122.26	354.26	2.51	-119.75
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1O	REAL300000528212	0	31	-2.0	-117.36	308.14	1.64	-115.72
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000528213	0	37	-3.0	-193.39	356.10	4.47	-188.92
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1O	REAL300000528213	1	38	-2.0	-137.57	356.11	4.42	-133.15
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)N=C1C	REAL300000528214	0	38	-2.0	-137.23	342.00	2.72	-134.51
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528215	0	35	-2.0	-129.66	330.94	4.18	-125.48
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(=O)[O-]	REAL300000528216	0	38	-3.0	-196.40	352.89	3.72	-192.68
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528217	0	35	-2.0	-124.05	336.27	1.68	-122.37
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528218	0	44	-2.0	-126.87	375.88	3.50	-123.37
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CN1C	REAL300000528219	0	42	-2.0	-129.00	379.44	3.97	-125.03
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528220	0	40	-2.0	-121.41	356.08	4.89	-116.52
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1O	REAL300000528221	0	32	-2.0	-132.62	312.45	3.75	-128.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(Cl)=N1	REAL300000528222	0	34	-2.0	-124.79	326.29	2.26	-122.53
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528223	0	37	-2.0	-126.17	345.43	3.14	-123.03
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1Cl	REAL300000528224	0	36	-2.0	-123.30	351.60	4.42	-118.88
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000528225	0	34	-2.0	-122.27	326.41	1.52	-120.75
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3O)C=C12	REAL300000528226	0	39	-2.0	-114.74	357.63	0.65	-114.09
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)S1	REAL300000528227	0	34	-2.0	-120.40	334.52	3.28	-117.12
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CN=C1Cl	REAL300000528229	0	35	-2.0	-115.20	337.25	0.91	-114.29
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3O)=CC=C21	REAL300000528230	0	41	-2.0	-122.76	372.34	3.90	-118.86
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1O	REAL300000528231	0	34	-2.0	-114.73	331.91	2.26	-112.47
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528232	0	38	-2.0	-123.87	357.61	3.67	-120.20
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=C1O	REAL300000528233	0	35	-2.0	-125.40	343.00	0.04	-125.36
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(O)C(C)=CC(C(=O)[O-])=C1	REAL300000528234	0	47	-2.0	-125.57	387.95	3.93	-121.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(C)=C1F	REAL300000528235	0	39	-2.0	-122.43	346.48	3.06	-119.37
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1O	REAL300000528237	0	35	-2.0	-137.43	324.33	3.26	-134.17
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528238	0	37	-2.0	-122.88	346.35	1.81	-121.07
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528239	0	43	-2.0	-138.12	386.54	3.05	-135.07
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1O	REAL300000528240	0	29	-2.0	-120.16	300.77	1.67	-118.49
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C(C2=CC=CC=C2)O1	REAL300000528241	0	41	-2.0	-133.89	370.82	2.04	-131.85
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1[N+](=O)[O-]	REAL300000528242	0	40	-2.0	-126.37	356.08	4.91	-121.46
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528243	0	42	-2.0	-136.02	359.94	4.71	-131.31
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1O	REAL300000528244	0	32	-2.0	-124.06	317.48	3.34	-120.72
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2CCCOC2)=C1O	REAL300000528245	1	39	-2.0	-127.29	329.54	1.73	-125.56
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(N(C)C)C=C2)=C1O	REAL300000528246	1	40	-2.0	-130.52	347.51	3.33	-127.19
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=CC=CS2)=C1O	REAL300000528247	1	35	-2.0	-123.42	331.26	3.59	-119.83
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528248	0	44	-2.0	-132.01	388.48	5.30	-126.71
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=C1O	REAL300000528249	0	32	-2.0	-117.93	331.57	4.06	-113.87
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528250	0	32	-2.0	-120.27	325.38	3.17	-117.10
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(OC)=C1	REAL300000528251	0	42	-2.0	-128.70	379.38	3.40	-125.30
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1O	REAL300000528252	0	35	-2.0	-127.44	328.59	3.81	-123.63
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=C1O	REAL300000528253	0	35	-2.0	-121.80	340.62	4.01	-117.79
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1O	REAL300000528254	0	35	-2.0	-122.05	335.47	1.79	-120.26
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528255	0	36	-2.0	-135.56	332.48	4.01	-131.55
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=C1O	REAL300000528256	0	35	-2.0	-128.24	341.77	0.17	-128.07
COC(=O)C(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O)C1=CC=CC=C1	REAL300000528257	0	44	-2.0	-132.82	386.81	5.71	-127.11
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1O	REAL300000528258	0	40	-2.0	-119.97	365.85	4.21	-115.76
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)C)=C1O	REAL300000528259	0	41	-2.0	-132.62	350.39	4.95	-127.67
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(C)=CS1	REAL300000528260	0	38	-2.0	-137.27	351.62	4.13	-133.14
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1F	REAL300000528261	0	36	-2.0	-119.37	332.11	2.32	-117.05
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1O	REAL300000528262	0	31	-2.0	-133.81	309.08	3.36	-130.45
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=NN2C)=C1O	REAL300000528263	0	31	-2.0	-112.17	290.80	-0.63	-112.80
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=C1O	REAL300000528264	0	37	-2.0	-120.59	340.75	2.08	-118.51
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1O	REAL300000528265	0	31	-2.0	-117.17	317.57	2.70	-114.47
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OCC2)=C1O	REAL300000528266	1	41	-2.0	-129.18	358.44	4.38	-124.80
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000528267	0	40	-2.0	-128.98	363.57	1.16	-127.82
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1O	REAL300000528268	0	36	-2.0	-129.58	324.53	2.38	-127.20
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1O	REAL300000528270	0	35	-2.0	-122.81	340.35	2.01	-120.80
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528271	0	38	-2.0	-127.90	326.61	4.68	-123.22
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528272	0	40	-2.0	-143.10	350.37	3.46	-139.64
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2F)=C1O	REAL300000528274	0	35	-2.0	-133.43	315.99	3.92	-129.51
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1O	REAL300000528275	0	36	-2.0	-141.42	334.78	3.02	-138.40
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=C(O)C(C)=CC(C(=O)[O-])=C1	REAL300000528276	0	45	-2.0	-125.37	386.61	4.40	-120.97
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)=C1O	REAL300000528277	0	40	-2.0	-145.68	354.28	4.13	-141.55
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)=C1O	REAL300000528279	0	36	-2.0	-130.56	347.67	0.23	-130.33
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1O	REAL300000528280	0	33	-2.0	-133.81	321.17	1.24	-132.57
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528281	0	35	-2.0	-123.44	320.97	0.42	-123.02
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1OC	REAL300000528282	0	42	-2.0	-122.51	378.46	3.66	-118.85
COCCOCCOCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528283	0	46	-2.0	-125.01	404.25	0.32	-124.69
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O)OCO2	REAL300000528284	0	38	-2.0	-124.81	337.89	2.37	-122.44
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528286	0	38	-2.0	-123.14	346.65	4.15	-118.99
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000528287	0	37	-3.0	-191.87	358.64	4.58	-187.29
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000528287	1	38	-2.0	-97.83	354.80	4.42	-93.41
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)=C1O	REAL300000528288	0	42	-2.0	-127.28	366.27	2.76	-124.52
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528289	0	41	-2.0	-142.28	363.50	5.26	-137.02
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=C1O	REAL300000528290	0	38	-2.0	-137.18	357.61	4.50	-132.68
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000528292	0	35	-2.0	-129.94	341.35	0.43	-129.51
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000528292	1	34	-3.0	-189.41	338.05	-0.70	-190.11
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1F	REAL300000528293	0	39	-2.0	-127.38	357.56	1.96	-125.42
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1O	REAL300000528294	0	36	-2.0	-122.08	341.86	2.60	-119.48
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=C1O	REAL300000528295	0	35	-2.0	-115.68	340.72	4.01	-111.67
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)=C1O	REAL300000528296	0	37	-2.0	-127.77	353.20	-1.45	-129.22
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=C1O	REAL300000528297	0	36	-2.0	-128.84	329.26	4.21	-124.63
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1O	REAL300000528299	0	32	-2.0	-120.67	326.25	4.02	-116.65
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(F)C=C2C)=C1O	REAL300000528300	0	38	-2.0	-119.54	332.92	4.68	-114.86
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)C(N)=NO1	REAL300000528301	0	33	-2.0	-115.01	303.93	0.31	-114.70
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=C1O	REAL300000528302	0	32	-2.0	-118.20	326.40	4.33	-113.87
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528303	0	36	-2.0	-131.86	341.38	3.26	-128.60
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1O	REAL300000528304	0	33	-2.0	-121.36	323.91	1.71	-119.65
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)=C1O	REAL300000528306	0	43	-2.0	-128.76	377.65	3.72	-125.04
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528307	0	39	-2.0	-131.02	341.36	3.02	-128.00
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1Cl	REAL300000528308	0	39	-2.0	-125.41	356.96	3.58	-121.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=N1	REAL300000528311	0	34	-2.0	-124.07	313.01	1.78	-122.29
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1O	REAL300000528312	0	37	-2.0	-126.99	337.59	3.31	-123.68
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(F)=C1	REAL300000528313	0	38	-2.0	-125.12	356.64	3.68	-121.44
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1F	REAL300000528314	0	38	-2.0	-119.95	355.70	3.64	-116.31
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528315	0	40	-2.0	-138.67	372.54	4.79	-133.88
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1C#N	REAL300000528316	0	36	-2.0	-119.24	336.36	3.84	-115.40
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1O	REAL300000528317	0	31	-2.0	-110.85	314.14	1.62	-109.23
COC(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528318	0	35	-2.0	-127.09	311.94	0.94	-126.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(F)=C1	REAL300000528319	0	36	-2.0	-129.17	331.37	2.31	-126.86
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])=C1O	REAL300000528320	0	40	-2.0	-139.86	357.17	6.13	-133.73
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1O	REAL300000528321	0	38	-2.0	-128.73	357.42	4.73	-124.00
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1O	REAL300000528322	0	38	-2.0	-126.95	342.10	3.46	-123.49
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1O	REAL300000528323	0	35	-2.0	-124.63	328.59	3.81	-120.82
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1O	REAL300000528324	0	42	-2.0	-133.94	370.60	6.35	-127.59
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)N(C)N=C1	REAL300000528326	0	35	-2.0	-118.41	313.25	1.41	-117.00
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528327	0	41	-2.0	-133.05	378.52	4.58	-128.47
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC=C2)=C1O	REAL300000528330	0	29	-2.0	-124.16	287.50	1.85	-122.31
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528331	0	43	-2.0	-138.09	379.72	2.46	-135.63
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1C(=O)[O-]	REAL300000528332	0	37	-3.0	-181.09	340.86	4.05	-177.04
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1C(=O)[O-]	REAL300000528332	1	38	-2.0	-106.40	341.34	4.04	-102.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=N1	REAL300000528333	0	35	-2.0	-119.50	323.57	-0.37	-119.87
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1O	REAL300000528334	0	32	-2.0	-127.25	318.63	3.53	-123.72
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528336	0	43	-2.0	-130.59	374.53	4.06	-126.53
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528337	0	41	-2.0	-130.06	373.92	5.72	-124.34
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)=C1O	REAL300000528338	0	41	-2.0	-129.73	369.75	5.43	-124.30
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C32)=C1O	REAL300000528339	0	35	-2.0	-129.88	332.91	4.31	-125.57
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528340	0	44	-2.0	-135.90	395.22	5.31	-130.59
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528341	0	38	-2.0	-141.84	353.11	5.03	-136.81
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)N(C)N=C1	REAL300000528342	0	41	-2.0	-126.13	367.47	2.95	-123.18
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1C	REAL300000528343	0	44	-2.0	-125.51	389.11	5.06	-120.45
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=C1O	REAL300000528344	0	43	-2.0	-141.61	374.12	4.17	-137.44
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1O	REAL300000528345	0	35	-2.0	-133.14	322.99	1.58	-131.56
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528346	0	38	-2.0	-119.32	350.94	4.74	-114.58
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528347	0	39	-2.0	-130.86	347.74	3.17	-127.69
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1O	REAL300000528348	0	32	-2.0	-128.38	318.73	3.80	-124.58
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528349	0	38	-2.0	-153.73	340.80	0.54	-153.19
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3O)C=C2C=C1	REAL300000528350	0	41	-2.0	-131.27	363.70	5.87	-125.40
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1O	REAL300000528351	0	29	-2.0	-128.16	304.37	2.40	-125.76
CC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528352	0	32	-2.0	-126.20	309.96	2.61	-123.59
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(NC(=O)C(C)C)C=C2)=C1O	REAL300000528353	0	45	-2.0	-132.97	392.85	3.31	-129.66
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1O	REAL300000528354	0	29	-2.0	-120.01	294.68	-0.25	-120.26
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=C1O	REAL300000528355	0	37	-2.0	-136.06	350.91	4.01	-132.05
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1O	REAL300000528356	0	31	-2.0	-119.32	303.29	1.06	-118.26
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=C1O	REAL300000528357	0	41	-2.0	-121.27	360.94	1.99	-119.28
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=C1O	REAL300000528358	0	41	-2.0	-120.13	365.58	1.50	-118.63
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C1O	REAL300000528360	0	40	-2.0	-125.63	356.93	3.90	-121.73
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1O	REAL300000528361	0	35	-2.0	-122.50	332.57	3.40	-119.10
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1O	REAL300000528362	0	35	-2.0	-130.70	348.91	4.95	-125.75
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528363	0	37	-2.0	-135.81	337.55	2.53	-133.28
CC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528364	0	31	-2.0	-118.90	304.89	1.24	-117.66
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC(=O)S2)=C1O	REAL300000528365	1	29	-2.0	-116.61	293.23	-1.17	-117.78
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=C1O	REAL300000528366	0	36	-2.0	-126.89	344.90	1.63	-125.26
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1O	REAL300000528366	1	35	-3.0	-212.64	341.66	2.50	-210.14
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=C1O	REAL300000528367	0	38	-2.0	-120.31	352.30	4.35	-115.96
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1O	REAL300000528368	0	36	-2.0	-155.59	327.58	0.20	-155.39
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1O	REAL300000528369	0	39	-2.0	-128.14	345.62	5.06	-123.08
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1O	REAL300000528370	0	29	-2.0	-131.55	294.67	1.99	-129.56
CC1=CC2=CC(S(=O)(=O)[N-]C3=C(O)C(C)=CC(C(=O)[O-])=C3)=CC=C2NC1=O	REAL300000528371	0	41	-2.0	-122.83	367.47	2.68	-120.15
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1O	REAL300000528372	0	38	-2.0	-139.75	357.22	1.36	-138.39
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=C1O	REAL300000528373	0	35	-2.0	-124.30	335.03	1.80	-122.50
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1O	REAL300000528374	0	41	-2.0	-126.85	361.25	4.55	-122.30
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O)C1=CC=CC=C1	REAL300000528376	0	42	-2.0	-124.74	367.02	3.51	-121.23
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)CCCCC1	REAL300000528377	0	47	-2.0	-135.40	381.97	4.50	-130.90
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C(F)C=C1[N+](=O)[O-]	REAL300000528378	0	37	-2.0	-117.06	346.09	4.19	-112.87
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528379	0	37	-3.0	-194.82	344.81	4.32	-190.50
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528379	1	38	-2.0	-139.21	345.80	4.36	-134.85
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1O	REAL300000528380	0	33	-2.0	-122.59	329.28	2.23	-120.36
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1O	REAL300000528381	0	36	-3.0	-202.38	348.60	5.36	-197.02
COCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)CC1	REAL300000528382	0	36	-2.0	-131.35	317.93	1.98	-129.37
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)N=S(C)(C)=O)=C1O	REAL300000528383	0	32	-2.0	-151.89	301.75	-1.12	-153.01
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C(F)C=C1C	REAL300000528384	0	41	-2.0	-126.73	372.66	4.21	-122.52
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1O	REAL300000528385	0	32	-2.0	-117.59	328.97	3.14	-114.45
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1O	REAL300000528386	0	37	-2.0	-132.90	333.39	-0.14	-133.04
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000528387	0	35	-2.0	-128.74	326.50	3.58	-125.16
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CN=C1C	REAL300000528388	0	40	-2.0	-117.99	362.64	2.29	-115.70
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1O	REAL300000528389	0	33	-2.0	-114.75	319.77	1.79	-112.96
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)=C1O	REAL300000528390	0	34	-2.0	-116.52	323.95	2.32	-114.20
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1C(F)(F)F	REAL300000528391	0	38	-2.0	-119.68	350.82	4.45	-115.23
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528392	0	41	-2.0	-136.10	373.36	4.39	-131.71
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1O	REAL300000528393	0	34	-2.0	-115.95	336.15	2.81	-113.14
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)CC1	REAL300000528396	1	41	-2.0	-137.26	362.97	4.33	-132.93
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)C=NN1C	REAL300000528397	0	35	-2.0	-125.12	317.06	1.17	-123.95
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000528398	0	36	-2.0	-128.76	327.48	4.04	-124.72
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528399	0	45	-2.0	-139.71	390.35	3.81	-135.90
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(O)C(C)=CC(C(=O)[O-])=C1	REAL300000528400	0	35	-2.0	-124.11	319.77	1.30	-122.81
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528401	0	39	-2.0	-125.16	368.22	3.18	-121.98
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528403	0	40	-2.0	-120.99	344.68	2.92	-118.07
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=C1O	REAL300000528404	0	37	-2.0	-124.12	342.85	0.14	-123.98
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1O	REAL300000528406	0	32	-2.0	-121.00	312.04	0.48	-120.52
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1O	REAL300000528407	0	38	-2.0	-117.79	342.69	2.88	-114.91
COC(=O)C1(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)CCCC1	REAL300000528408	0	44	-2.0	-134.64	369.63	4.07	-130.57
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)=C1O	REAL300000528409	0	34	-2.0	-123.83	344.59	2.86	-120.97
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1O	REAL300000528410	0	40	-2.0	-114.75	367.54	1.52	-113.23
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1O	REAL300000528411	0	39	-2.0	-133.81	352.39	2.69	-131.12
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=C1O	REAL300000528412	0	35	-2.0	-122.71	333.60	0.52	-122.19
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1Cl	REAL300000528413	0	36	-2.0	-120.34	341.92	2.81	-117.53
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)=C1O	REAL300000528414	0	36	-2.0	-137.78	347.97	-0.41	-138.19
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1O	REAL300000528415	0	34	-3.0	-198.96	328.49	3.53	-195.43
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1O	REAL300000528416	0	29	-2.0	-130.41	295.74	0.94	-129.47
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1O	REAL300000528417	0	34	-2.0	-139.47	327.59	2.36	-137.11
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1O	REAL300000528418	0	37	-2.0	-130.98	332.20	2.79	-128.19
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=C1O	REAL300000528419	1	39	-2.0	-128.14	346.46	5.13	-123.01
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1O	REAL300000528420	0	38	-2.0	-136.56	346.90	5.25	-131.31
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1O	REAL300000528421	0	35	-2.0	-130.69	336.54	2.02	-128.67
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528422	0	38	-2.0	-131.54	364.82	4.47	-127.07
CCC1=CC(CC)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(CC)=C1	REAL300000528423	0	50	-2.0	-126.54	401.15	7.82	-118.72
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)=C1O	REAL300000528424	0	35	-2.0	-128.91	323.52	4.44	-124.47
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1O	REAL300000528425	0	36	-2.0	-125.35	340.81	3.07	-122.28
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1O	REAL300000528426	0	37	-2.0	-139.19	332.70	2.76	-136.43
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1F	REAL300000528427	0	41	-2.0	-130.84	378.82	4.44	-126.40
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)C2=CC=CC(C)=C2S1	REAL300000528428	0	41	-2.0	-130.76	367.49	5.93	-124.83
CCC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O)OC	REAL300000528429	0	38	-2.0	-126.57	328.73	1.61	-124.96
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528430	0	45	-2.0	-128.71	385.08	4.39	-124.32
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528431	0	44	-2.0	-127.76	367.89	2.85	-124.91
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOCC2CC2)=C1O	REAL300000528432	0	39	-2.0	-120.23	346.81	2.31	-117.92
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(F)=C1	REAL300000528434	0	35	-2.0	-135.52	326.31	3.89	-131.63
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1O	REAL300000528435	0	31	-2.0	-117.55	321.44	2.14	-115.41
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)=C1O	REAL300000528436	0	32	-2.0	-120.20	319.97	1.10	-119.10
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=C1O	REAL300000528437	0	37	-2.0	-125.49	340.25	1.40	-124.09
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)N=S(C)(=O)C2=CC=CC=C2)=C1O	REAL300000528438	0	39	-2.0	-149.69	358.57	1.67	-148.02
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000528439	0	37	-3.0	-189.49	349.82	4.19	-185.30
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1O	REAL300000528439	1	38	-2.0	-98.19	346.07	4.03	-94.16
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O)C1CC1	REAL300000528440	0	39	-2.0	-126.43	338.00	2.34	-124.09
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528441	0	36	-2.0	-132.14	331.06	2.80	-129.34
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=C1O	REAL300000528442	0	35	-2.0	-115.77	336.00	2.05	-113.72
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1[N+](=O)[O-]	REAL300000528443	0	40	-2.0	-124.72	358.86	4.78	-119.94
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528444	0	48	-2.0	-138.59	400.83	5.06	-133.53
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O)C1CCOCC1	REAL300000528445	0	46	-2.0	-122.33	377.60	1.44	-120.89
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1Cl	REAL300000528446	0	35	-2.0	-115.99	339.66	0.16	-115.83
CC1=NOC=C1S(=O)(=O)[N-]C1=C(O)C(C)=CC(C(=O)[O-])=C1	REAL300000528447	0	31	-2.0	-115.37	293.35	0.89	-114.48
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=C1O	REAL300000528448	0	36	-2.0	-121.52	346.47	1.11	-120.41
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CC=C1Cl	REAL300000528449	0	35	-2.0	-122.01	331.85	4.05	-117.96
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1O	REAL300000528450	0	38	-2.0	-137.07	344.52	3.94	-133.13
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528451	0	41	-2.0	-134.42	376.96	4.30	-130.12
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C([N+](=O)[O-])S1	REAL300000528452	0	34	-2.0	-132.40	330.98	4.15	-128.25
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)N=S(C)(=O)N(C)C)=C1O	REAL300000528453	0	37	-2.0	-141.94	335.78	-1.19	-143.13
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1O	REAL300000528454	0	35	-2.0	-121.25	338.39	1.14	-120.11
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1O	REAL300000528455	0	31	-2.0	-128.11	296.90	1.12	-126.99
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1O	REAL300000528458	0	31	-2.0	-115.71	297.82	1.10	-114.61
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCOCC2CCC2)=C1O	REAL300000528459	0	42	-2.0	-120.30	363.40	2.83	-117.47
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=C1O	REAL300000528460	0	34	-2.0	-124.61	346.98	2.92	-121.69
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=C1O	REAL300000528461	0	30	-2.0	-129.26	306.78	2.34	-126.92
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528462	0	39	-2.0	-130.33	364.15	4.69	-125.64
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O)C(C)C	REAL300000528464	0	41	-2.0	-126.50	349.99	1.97	-124.53
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1O	REAL300000528465	0	32	-2.0	-117.23	318.98	3.52	-113.71
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1O	REAL300000528466	0	41	-2.0	-133.34	358.09	3.29	-130.05
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=C1O	REAL300000528467	0	39	-2.0	-132.82	361.52	0.81	-132.01
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1O	REAL300000528468	0	40	-2.0	-139.32	348.58	4.14	-135.18
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=C(O)C(C)=CC(C(=O)[O-])=C1	REAL300000528469	0	42	-2.0	-124.72	369.17	1.93	-122.79
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(F)=C1	REAL300000528470	0	41	-2.0	-124.50	378.50	4.60	-119.90
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528476	0	39	-2.0	-139.48	352.32	0.39	-139.09
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)=C1O	REAL300000528477	0	35	-2.0	-127.97	324.80	-0.37	-128.34
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2(OC(C)C)CCOC2)=C1O	REAL300000528478	0	46	-2.0	-129.65	372.26	1.99	-127.66
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)N(C)N=C1	REAL300000528479	0	38	-2.0	-125.67	345.61	2.02	-123.65
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C	REAL300000528480	0	43	-2.0	-129.80	382.09	2.13	-127.67
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O)C1=CC=C(F)C=C1	REAL300000528481	0	42	-2.0	-135.93	366.26	4.29	-131.64
CCOC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O)C1CC1	REAL300000528482	0	42	-2.0	-127.78	359.82	3.30	-124.48
CC1=NC=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)N1C	REAL300000528483	0	35	-2.0	-123.28	315.76	1.91	-121.37
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528484	0	45	-2.0	-131.46	386.44	4.60	-126.86
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O)C1CCCC1	REAL300000528485	0	45	-2.0	-126.06	370.24	3.64	-122.42
COC(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O)C1CCCCC1	REAL300000528486	0	48	-2.0	-125.17	386.67	3.83	-121.34
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1F	REAL300000528487	0	37	-2.0	-132.53	341.64	5.04	-127.49
CCC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CN1CC1CC1	REAL300000528488	0	45	-2.0	-136.83	395.27	4.89	-131.94
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)O1	REAL300000528489	0	38	-2.0	-120.03	353.85	2.32	-117.71
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC(C)=C3O)C=C2C1	REAL300000528490	0	43	-2.0	-133.60	381.40	3.52	-130.08
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1O	REAL300000528491	0	35	-2.0	-123.37	336.14	2.44	-120.93
CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)C(C)=C1[N+](=O)[O-]	REAL300000528492	0	40	-2.0	-121.42	360.07	5.28	-116.14
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=C1O	REAL300000528493	0	35	-2.0	-111.02	338.00	1.56	-109.46
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1O	REAL300000528494	0	31	-2.0	-120.42	313.74	1.55	-118.87
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1O	REAL300000528495	0	42	-2.0	-141.01	362.49	6.35	-134.66
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CCC2=C(F)C=CC=C2F)=C1O	REAL300000528496	1	38	-2.0	-130.55	351.65	4.55	-126.00
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)=C1O	REAL300000528497	0	35	-2.0	-129.42	328.48	3.73	-125.69
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)OC=C1	REAL300000528498	0	35	-2.0	-133.98	328.52	2.41	-131.57
CCC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C(C)C=C1OC	REAL300000528499	0	45	-2.0	-128.79	382.63	4.51	-124.28
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1O	REAL300000528500	0	34	-2.0	-139.36	323.50	1.93	-137.43
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(C)=N1	REAL300000528501	0	44	-2.0	-124.13	384.31	3.71	-120.42
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528502	0	45	-2.0	-127.52	391.49	4.46	-123.06
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1O	REAL300000528503	0	33	-3.0	-194.36	321.08	1.61	-192.75
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528504	0	36	-2.0	-127.72	329.17	3.09	-124.63
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C(C)C	REAL300000528505	0	48	-2.0	-127.74	406.35	5.20	-122.54
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=C1O	REAL300000528506	0	44	-2.0	-124.74	374.62	5.20	-119.54
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=C1O	REAL300000528507	0	33	-2.0	-117.16	323.68	3.41	-113.75
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=C1O	REAL300000528508	0	35	-2.0	-120.40	329.54	1.57	-118.83
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1O	REAL300000528509	0	34	-2.0	-123.69	319.66	1.99	-121.70
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1O	REAL300000528509	1	34	-2.0	-139.14	319.56	2.13	-137.01
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C32)=C1O	REAL300000528510	0	36	-2.0	-135.10	330.13	2.90	-132.20
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=C1O	REAL300000528511	0	42	-2.0	-122.92	357.39	3.06	-119.86
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=C1O	REAL300000528512	0	44	-2.0	-123.06	364.77	3.55	-119.51
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1O	REAL300000528514	0	42	-2.0	-123.58	363.80	3.29	-120.29
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)=C1O	REAL300000528515	0	35	-2.0	-116.32	330.68	1.84	-114.48
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2Br)=C1O	REAL300000528516	0	32	-2.0	-122.93	321.59	1.15	-121.78
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2CC2C2=CC=CC(F)=C2)=C1O	REAL300000528517	1	39	-2.0	-134.85	344.50	5.24	-129.61
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2(COCC3=CC=CC=C3)CC2)=C1O	REAL300000528518	0	46	-2.0	-138.54	403.37	5.44	-133.10
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)N=S(C)(=O)C2CCCCC2)=C1O	REAL300000528519	0	45	-2.0	-152.49	384.04	2.35	-150.14
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1O	REAL300000528520	0	33	-2.0	-127.71	312.58	0.70	-127.01
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[O-])=C1O	REAL300000528520	1	32	-3.0	-214.13	309.02	1.57	-212.56
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000528521	0	42	-2.0	-127.97	373.60	5.71	-122.26
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528522	0	35	-2.0	-140.78	327.40	0.60	-140.18
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528523	0	38	-2.0	-124.41	339.24	2.10	-122.31
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1F	REAL300000528524	0	37	-2.0	-125.44	342.18	3.44	-122.00
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C1O	REAL300000528525	0	32	-2.0	-117.76	301.62	0.28	-117.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(C#N)=C1	REAL300000528526	0	36	-2.0	-134.37	335.90	3.89	-130.48
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)=C1O	REAL300000528527	0	36	-2.0	-135.86	327.88	4.16	-131.70
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1O	REAL300000528528	0	35	-2.0	-119.46	333.09	3.85	-115.61
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1CC	REAL300000528530	0	48	-2.0	-126.54	410.93	5.46	-121.08
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=C1O	REAL300000528531	0	39	-2.0	-131.38	360.15	4.90	-126.48
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)=C1O	REAL300000528532	0	38	-2.0	-120.64	343.25	5.13	-115.51
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528533	0	32	-2.0	-115.28	315.64	-1.25	-116.53
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)CC2CCCC(C)(C)O2)=C1O	REAL300000528534	0	45	-2.0	-132.70	368.44	3.17	-129.53
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NS2)=C1O	REAL300000528535	0	28	-2.0	-118.71	283.14	0.65	-118.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528538	0	38	-3.0	-186.40	353.05	3.30	-183.10
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)C=C(C(N)=O)O1	REAL300000528539	0	36	-2.0	-125.61	335.89	-1.44	-127.05
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528540	0	41	-2.0	-128.83	348.12	5.46	-123.37
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1O	REAL300000528541	0	32	-2.0	-133.34	311.12	3.06	-130.28
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1O	REAL300000528543	0	31	-3.0	-180.95	324.95	2.49	-178.46
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1O	REAL300000528544	0	37	-2.0	-136.21	332.64	3.46	-132.75
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528545	0	39	-2.0	-127.90	357.81	3.14	-124.76
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C1O	REAL300000528546	0	33	-2.0	-128.85	322.23	3.37	-125.48
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=N2)=C1O	REAL300000528547	0	31	-2.0	-126.60	295.18	-0.73	-127.33
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528548	0	35	-2.0	-115.55	350.95	2.22	-113.33
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1O	REAL300000528549	0	39	-2.0	-123.55	346.29	2.62	-120.93
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1O	REAL300000528550	0	39	-2.0	-120.76	343.68	2.83	-117.93
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1O	REAL300000528551	0	42	-2.0	-120.44	365.80	3.55	-116.89
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1O	REAL300000528552	0	32	-3.0	-209.00	335.36	2.55	-206.45
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1O	REAL300000528552	1	33	-2.0	-96.35	337.06	2.52	-93.83
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=C1O	REAL300000528553	0	43	-2.0	-133.35	371.44	0.95	-132.40
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1O	REAL300000528554	0	38	-2.0	-125.65	363.23	3.85	-121.80
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=C1O	REAL300000528555	0	38	-2.0	-124.42	347.11	0.19	-124.23
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1O	REAL300000528556	0	29	-2.0	-123.54	297.05	1.67	-121.87
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1F	REAL300000528557	0	36	-2.0	-114.97	342.27	2.50	-112.47
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1O	REAL300000528558	0	39	-2.0	-127.61	340.78	2.96	-124.65
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1F	REAL300000528559	0	36	-2.0	-124.72	337.60	2.38	-122.34
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C	REAL300000528560	0	48	-2.0	-130.86	399.95	4.99	-125.87
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)=C1O	REAL300000528561	0	42	-2.0	-134.20	370.85	4.34	-129.86
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=C(O)C(C)=CC(C(=O)[O-])=C1	REAL300000528562	0	35	-2.0	-123.28	319.30	3.64	-119.64
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=C1O	REAL300000528563	0	40	-2.0	-140.28	353.86	3.54	-136.74
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=C1O	REAL300000528564	0	40	-2.0	-123.62	365.07	2.60	-121.02
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=C1O	REAL300000528565	0	40	-2.0	-129.95	364.60	5.17	-124.78
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528566	0	36	-2.0	-129.35	332.86	3.60	-125.75
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=C1O	REAL300000528567	0	38	-2.0	-133.33	350.10	3.56	-129.77
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1O	REAL300000528568	0	29	-2.0	-124.45	301.82	2.39	-122.06
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Br)=NN2C)=C1O	REAL300000528569	0	32	-2.0	-112.36	317.33	1.12	-111.24
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1O	REAL300000528570	0	34	-2.0	-116.17	330.31	2.10	-114.07
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=C(O)C(C)=CC(C(=O)[O-])=C1	REAL300000528571	0	37	-2.0	-141.53	337.08	2.55	-138.98
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528572	0	34	-2.0	-111.48	311.62	0.27	-111.21
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1O	REAL300000528574	0	33	-2.0	-114.89	311.27	1.73	-113.16
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1O	REAL300000528575	0	35	-2.0	-129.64	335.23	4.37	-125.27
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1O	REAL300000528576	0	35	-2.0	-142.59	341.29	2.65	-139.94
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=C1O	REAL300000528577	0	39	-2.0	-119.05	348.34	2.68	-116.37
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)=C1O	REAL300000528578	0	41	-2.0	-123.99	352.14	5.30	-118.69
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1OC	REAL300000528579	0	40	-2.0	-133.14	352.17	2.87	-130.27
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)=C1O	REAL300000528580	0	41	-2.0	-133.99	364.71	0.17	-133.82
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C32)=C1O	REAL300000528581	0	35	-2.0	-129.44	326.16	3.23	-126.21
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1OC	REAL300000528582	0	40	-2.0	-135.29	355.88	3.27	-132.02
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)=C1O	REAL300000528583	0	45	-2.0	-128.75	385.14	3.85	-124.90
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)=C1O	REAL300000528584	0	36	-2.0	-132.59	347.26	4.88	-127.71
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=C1O	REAL300000528585	0	39	-2.0	-127.54	351.71	2.86	-124.68
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1O	REAL300000528586	0	36	-2.0	-126.69	335.65	2.52	-124.17
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1O	REAL300000528587	0	35	-2.0	-135.52	325.82	2.15	-133.37
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=C1O	REAL300000528588	0	37	-2.0	-144.16	340.94	1.34	-142.82
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=C1O	REAL300000528589	0	39	-2.0	-129.46	337.08	4.92	-124.54
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CN=C1N	REAL300000528590	0	36	-2.0	-126.49	324.41	0.64	-125.85
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528591	0	32	-2.0	-123.04	313.68	-1.19	-124.23
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)N=CN1	REAL300000528592	0	32	-2.0	-134.20	295.52	1.04	-133.16
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1O	REAL300000528594	0	35	-2.0	-125.20	330.11	3.33	-121.87
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=C1O	REAL300000528595	0	42	-2.0	-127.74	367.93	3.35	-124.39
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)=C1O	REAL300000528596	0	50	-2.0	-133.99	410.63	6.87	-127.12
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1O	REAL300000528597	0	29	-2.0	-124.25	302.23	2.49	-121.76
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1O	REAL300000528598	0	42	-2.0	-124.21	370.37	3.58	-120.63
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1O	REAL300000528599	0	36	-2.0	-133.77	334.53	4.06	-129.71
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)=C1O	REAL300000528600	0	45	-2.0	-138.45	386.21	1.33	-137.12
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C2=NC=CC=C2C=C1	REAL300000528601	0	41	-2.0	-155.53	361.82	4.15	-151.38
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528602	0	41	-2.0	-130.48	360.79	5.16	-125.32
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528603	0	38	-2.0	-115.58	351.68	1.35	-114.23
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=C1O	REAL300000528604	0	33	-2.0	-128.92	320.91	3.29	-125.63
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=C1O	REAL300000528605	0	39	-2.0	-123.29	341.08	2.52	-120.77
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1O	REAL300000528606	0	36	-2.0	-111.88	352.84	4.29	-107.59
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=C(O)C(C)=CC(C(=O)[O-])=C1	REAL300000528608	0	38	-2.0	-128.13	326.52	4.63	-123.50
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=C1O	REAL300000528609	0	41	-2.0	-117.31	343.43	2.84	-114.47
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=C1O	REAL300000528610	0	41	-2.0	-124.76	360.89	2.66	-122.10
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1O	REAL300000528611	0	39	-2.0	-124.63	344.97	2.03	-122.60
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=CN=C1C(F)(F)F	REAL300000528612	0	37	-2.0	-115.69	347.32	2.76	-112.93
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=C1O	REAL300000528613	0	43	-2.0	-123.95	370.66	3.74	-120.21
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=C1O	REAL300000528614	0	34	-2.0	-108.72	335.42	3.70	-105.02
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=C1O	REAL300000528615	0	35	-2.0	-117.00	341.56	4.01	-112.99
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1O	REAL300000528616	0	35	-2.0	-127.80	324.38	3.76	-124.04
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1O	REAL300000528617	0	32	-2.0	-124.88	317.95	3.32	-121.56
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1O	REAL300000528618	0	32	-2.0	-118.19	328.15	3.05	-115.14
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528619	0	35	-2.0	-118.40	318.57	1.16	-117.24
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1C	REAL300000528621	0	38	-2.0	-130.14	328.89	4.25	-125.89
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1O	REAL300000528622	0	35	-2.0	-138.30	317.40	4.24	-134.06
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528623	0	43	-2.0	-139.10	380.97	4.98	-134.12
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)=C1O	REAL300000528625	0	42	-2.0	-131.05	376.64	4.63	-126.42
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)=C1O	REAL300000528626	0	38	-2.0	-122.72	358.86	3.98	-118.74
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000528628	0	41	-2.0	-127.88	374.83	4.59	-123.29
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=C1O	REAL300000528629	0	33	-2.0	-125.34	329.03	3.80	-121.54
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1O	REAL300000528630	0	32	-2.0	-125.78	316.39	3.19	-122.59
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1O	REAL300000528631	0	39	-2.0	-130.20	345.61	5.05	-125.15
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=CS1	REAL300000528632	0	33	-2.0	-132.28	318.65	1.39	-130.89
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=C1O	REAL300000528633	0	35	-2.0	-125.39	328.68	4.40	-120.99
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528634	0	38	-2.0	-121.49	361.36	3.25	-118.24
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1O	REAL300000528635	0	39	-2.0	-130.79	351.11	5.11	-125.68
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1O	REAL300000528636	0	42	-2.0	-121.44	361.16	3.56	-117.88
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528637	0	41	-2.0	-120.59	356.36	2.85	-117.74
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000528638	0	41	-2.0	-134.11	367.61	0.47	-133.64
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)=C1O	REAL300000528640	0	35	-2.0	-132.09	350.33	-0.55	-132.64
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=C1O	REAL300000528641	0	37	-2.0	-136.87	340.00	1.31	-135.56
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)O1	REAL300000528642	0	35	-2.0	-126.54	322.47	2.55	-123.99
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1O	REAL300000528643	0	32	-2.0	-118.23	320.24	2.17	-116.06
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528644	0	36	-2.0	-123.70	337.34	2.85	-120.85
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)=C1O	REAL300000528645	0	46	-2.0	-126.44	394.74	2.08	-124.36
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=C1O	REAL300000528646	0	38	-2.0	-127.27	349.62	4.47	-122.80
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1O	REAL300000528647	0	36	-2.0	-127.00	335.67	2.52	-124.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000528649	0	33	-2.0	-123.68	320.18	1.40	-122.28
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000528650	0	43	-2.0	-146.07	367.81	5.24	-140.83
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1O	REAL300000528652	0	35	-2.0	-120.93	329.07	1.64	-119.29
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528653	0	42	-2.0	-131.56	373.33	3.64	-127.92
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)=C1O	REAL300000528654	0	35	-2.0	-119.71	348.07	2.40	-117.31
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)=C1O	REAL300000528655	0	42	-2.0	-120.99	376.06	4.13	-116.86
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1O	REAL300000528656	0	45	-2.0	-123.28	382.80	3.89	-119.39
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)=C1O	REAL300000528657	0	43	-2.0	-124.18	385.09	5.79	-118.39
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1O	REAL300000528658	0	35	-2.0	-132.12	316.96	3.91	-128.21
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528659	0	44	-2.0	-132.43	379.16	5.73	-126.70
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN32)=C1O	REAL300000528660	0	35	-2.0	-131.02	323.40	3.30	-127.72
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1O	REAL300000528661	0	34	-2.0	-129.03	327.36	2.34	-126.69
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=N1	REAL300000528662	0	34	-2.0	-123.20	317.10	-0.18	-123.38
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1Cl	REAL300000528663	0	35	-2.0	-121.20	338.06	1.87	-119.33
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=C1O	REAL300000528664	0	34	-2.0	-117.90	337.41	2.21	-115.69
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1O	REAL300000528665	0	29	-2.0	-119.77	296.14	1.56	-118.21
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=C1O	REAL300000528666	0	37	-2.0	-135.94	349.60	3.92	-132.02
CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000528667	0	41	-2.0	-138.91	355.15	5.79	-133.12
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=C1O	REAL300000528668	0	39	-2.0	-127.50	354.33	3.30	-124.20
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1O	REAL300000528669	0	32	-2.0	-120.26	323.91	3.56	-116.70
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)O1	REAL300000528670	0	38	-2.0	-135.29	360.01	-0.76	-136.05
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)=C1O	REAL300000528671	0	42	-2.0	-128.98	373.82	4.36	-124.62
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1O	REAL300000528673	0	36	-2.0	-127.64	340.22	4.25	-123.39
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=C1O	REAL300000528676	0	28	-2.0	-114.71	300.32	1.37	-113.34
CC1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528677	0	32	-2.0	-125.49	300.97	1.61	-123.88
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1	REAL300000528678	0	42	-2.0	-127.24	383.06	4.85	-122.39
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=NN1	REAL300000528679	0	38	-2.0	-123.99	356.77	0.73	-123.26
COC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1OC	REAL300000528680	0	37	-2.0	-130.20	349.35	0.95	-129.25
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1O	REAL300000528681	0	32	-3.0	-181.33	332.98	1.99	-179.34
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=C1O	REAL300000528681	1	33	-2.0	-109.70	331.94	1.56	-108.14
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1O	REAL300000528682	0	31	-2.0	-110.45	314.04	1.57	-108.88
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=C1O	REAL300000528683	0	36	-2.0	-125.30	341.90	2.59	-122.71
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=C1O	REAL300000528684	0	38	-2.0	-123.29	339.80	2.94	-120.35
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=C1O	REAL300000528685	0	39	-2.0	-135.29	350.12	4.71	-130.58
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=C1O	REAL300000528686	0	35	-2.0	-128.38	327.08	4.34	-124.04
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1O	REAL300000528687	0	29	-2.0	-114.92	321.47	3.05	-111.87
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=C1O	REAL300000528688	0	32	-2.0	-120.65	316.26	0.99	-119.66
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=C1O	REAL300000528689	0	37	-2.0	-124.16	349.07	3.62	-120.54
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)=C1O	REAL300000528690	0	43	-2.0	-130.05	385.12	5.79	-124.26
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=C1O	REAL300000528691	0	38	-2.0	-141.48	334.25	4.78	-136.70
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C1O	REAL300000528692	0	30	-2.0	-128.37	300.55	1.39	-126.98
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1O	REAL300000528693	0	37	-2.0	-123.74	351.25	1.53	-122.21
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=C1O	REAL300000528694	0	33	-2.0	-127.45	337.89	1.73	-125.72
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000528695	0	41	-2.0	-129.32	378.31	2.00	-127.32
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)S1	REAL300000528695	1	40	-3.0	-190.47	375.02	0.87	-189.60
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528696	0	34	-2.0	-117.15	324.13	2.34	-114.81
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528697	0	43	-2.0	-131.79	380.06	4.57	-127.22
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(C2CC2)=N1	REAL300000528698	0	42	-2.0	-127.81	373.18	3.73	-124.08
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)=C1O	REAL300000528699	0	36	-2.0	-135.21	334.64	2.30	-132.91
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=C1O	REAL300000528700	0	38	-2.0	-125.75	359.05	5.72	-120.03
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C)NC(=O)NC2=O)=C1O	REAL300000528701	0	35	-2.0	-125.20	319.46	-1.34	-126.54
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528703	0	45	-2.0	-124.99	384.29	4.10	-120.89
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1O	REAL300000528704	0	29	-2.0	-122.79	295.14	1.45	-121.34
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1O	REAL300000528705	0	29	-2.0	-120.69	305.20	2.46	-118.23
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528706	0	46	-2.0	-137.48	401.22	3.24	-134.24
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1O	REAL300000528707	0	38	-2.0	-131.28	355.26	5.79	-125.49
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=C1O	REAL300000528708	0	40	-2.0	-119.53	348.69	0.68	-118.85
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1O	REAL300000528709	0	39	-2.0	-133.62	339.94	5.12	-128.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(C)=N1	REAL300000528713	0	38	-2.0	-119.85	339.24	0.38	-119.47
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528714	0	38	-2.0	-131.73	343.81	0.76	-130.97
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528715	0	35	-2.0	-124.97	339.10	0.61	-124.36
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C	REAL300000528716	0	38	-2.0	-120.82	343.72	0.35	-120.47
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=C1O	REAL300000528717	0	41	-2.0	-123.83	363.82	3.04	-120.79
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=C(O)C(C)=CC(C(=O)[O-])=C1	REAL300000528718	0	41	-2.0	-124.71	359.98	2.68	-122.03
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1O	REAL300000528719	0	31	-2.0	-122.05	323.73	0.92	-121.13
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C1O	REAL300000528720	0	30	-2.0	-125.71	299.37	1.35	-124.36
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C1O	REAL300000528721	0	30	-2.0	-133.06	308.45	2.28	-130.78
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C(C)C)=C1O	REAL300000528722	0	38	-2.0	-119.58	338.12	2.22	-117.36
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C1C	REAL300000528723	0	40	-2.0	-117.89	363.18	2.32	-115.57
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1O	REAL300000528724	0	41	-3.0	-189.56	370.99	5.40	-184.16
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1O	REAL300000528724	1	42	-2.0	-104.82	371.08	5.35	-99.47
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1O	REAL300000528726	0	39	-2.0	-119.28	348.59	3.06	-116.22
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1O	REAL300000528727	0	39	-2.0	-124.59	350.11	4.09	-120.50
COC1=NOC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528728	0	35	-2.0	-122.44	327.45	-0.71	-123.15
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)C=NN1C(C)C	REAL300000528729	0	41	-2.0	-126.66	360.88	2.70	-123.96
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1O	REAL300000528730	0	39	-2.0	-136.06	356.28	5.14	-130.92
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1O	REAL300000528731	0	34	-2.0	-120.77	323.74	1.96	-118.81
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=C1O	REAL300000528732	0	32	-2.0	-125.60	335.04	-0.86	-126.46
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1O	REAL300000528734	0	39	-2.0	-128.93	357.90	5.18	-123.75
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1O	REAL300000528735	0	36	-2.0	-128.86	346.85	3.40	-125.46
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1O	REAL300000528736	0	41	-3.0	-192.07	368.96	5.37	-186.70
CC1=CC(C(=O)[O-])=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1O	REAL300000528736	1	42	-2.0	-121.08	370.38	5.35	-115.73
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1O	REAL300000528737	0	33	-2.0	-128.30	307.43	0.09	-128.21
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528738	0	41	-2.0	-131.34	357.30	4.81	-126.53
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1O	REAL300000528739	0	35	-2.0	-138.01	336.06	3.94	-134.07
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CSN=C2)=C1O	REAL300000528740	0	28	-2.0	-116.54	282.06	0.54	-116.00
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1O	REAL300000528741	0	36	-2.0	-137.45	344.28	2.21	-135.24
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1O	REAL300000528742	0	39	-2.0	-133.59	352.22	5.24	-128.35
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2Cl)=C1O	REAL300000528743	0	35	-2.0	-125.72	343.45	4.56	-121.16
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=C1O	REAL300000528744	0	39	-2.0	-125.65	364.29	3.99	-121.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C(C(F)F)=C1	REAL300000528745	0	39	-2.0	-125.53	347.41	3.43	-122.10
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528746	0	37	-2.0	-135.52	337.18	2.53	-132.99
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC(C)=C1O	REAL300000528747	0	38	-2.0	-146.68	345.74	4.48	-142.20
CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000528748	0	40	-2.0	-145.98	354.10	4.11	-141.87
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)C=C(C(=O)[O-])O1	REAL300000528749	0	37	-3.0	-190.17	346.98	3.49	-186.68
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528750	0	45	-2.0	-139.45	385.84	4.93	-134.52
CC1=C(S(=O)(=O)[N-]C2=C(O)C(C)=CC(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000528751	0	32	-2.0	-120.93	322.94	3.34	-117.59
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=CN=CS2)=C1O	REAL300000528752	0	28	-2.0	-121.51	282.97	0.05	-121.46
CC1=CC(C(=O)[O-])=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1O	REAL300000528753	0	39	-2.0	-127.12	342.12	2.26	-124.86
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC(C)=C2O)=C1	REAL300000528754	0	35	-2.0	-133.45	323.31	3.68	-129.77
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000528757	1	37	-2.0	-109.84	334.04	2.22	-107.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OCCNC(=O)C2=C1	REAL300000528758	0	41	-2.0	-114.55	362.19	2.02	-112.53
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)C=C1	REAL300000528759	1	41	-2.0	-98.09	365.51	3.52	-94.57
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000528761	0	37	-2.0	-105.25	347.12	2.79	-102.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=CC=C1Cl	REAL300000528762	1	37	-2.0	-107.84	346.56	2.61	-105.23
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000528764	0	37	-2.0	-106.84	339.53	2.28	-104.56
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)C=C1	REAL300000528765	1	43	-2.0	-97.71	377.63	3.81	-93.90
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000528766	0	34	-2.0	-104.49	327.23	1.23	-103.26
CN1C=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000528769	1	38	-2.0	-108.63	340.69	1.58	-107.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000528771	0	37	-2.0	-102.00	343.16	1.91	-100.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=CS1	REAL300000528773	1	34	-2.0	-105.88	325.69	1.26	-104.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OCCNC(=O)C2=C1	REAL300000528775	1	43	-2.0	-108.19	364.18	3.95	-104.24
CC1=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000528776	0	37	-2.0	-103.82	337.05	1.37	-102.45
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000528777	0	41	-2.0	-113.32	363.03	1.31	-112.01
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2OCCNC(=O)C2=C1	REAL300000528778	1	40	-2.0	-101.05	354.76	3.04	-98.01
CC1=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000528779	1	37	-2.0	-106.76	342.64	2.11	-104.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)C(Cl)=C1	REAL300000528780	0	37	-2.0	-96.67	347.10	2.78	-93.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)C=C1F	REAL300000528781	1	37	-2.0	-98.25	338.57	2.26	-95.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)S1	REAL300000528782	0	34	-2.0	-100.73	326.32	1.35	-99.38
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000528783	1	37	-2.0	-101.08	340.45	2.29	-98.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=C1F	REAL300000528784	0	40	-2.0	-108.18	359.81	2.93	-105.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)C(F)=C1	REAL300000528785	0	37	-2.0	-98.57	339.51	2.29	-96.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)C=C1Cl	REAL300000528786	1	37	-2.0	-96.33	346.54	2.62	-93.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=CC(F)=C1F	REAL300000528787	1	37	-2.0	-101.03	344.86	2.31	-98.72
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000528788	0	38	-2.0	-108.82	343.76	-0.08	-108.90
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000528788	1	38	-2.0	-112.42	332.78	0.81	-111.61
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)C=C1	REAL300000528789	1	40	-2.0	-103.56	356.23	3.01	-100.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000528794	0	37	-2.0	-99.01	345.80	2.35	-96.66
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000528796	0	40	-2.0	-109.15	359.37	2.92	-106.23
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000528797	0	40	-2.0	-117.71	359.09	2.91	-114.80
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000528799	1	41	-2.0	-111.60	362.06	2.43	-109.17
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=CC=C1	REAL300000528802	0	37	-2.0	-117.01	337.71	2.26	-114.75
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000528803	1	40	-2.0	-104.60	358.98	2.90	-101.70
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=C1	REAL300000528804	0	36	-2.0	-106.83	331.03	0.28	-106.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2OCCNC(=O)C2=C1	REAL300000528805	0	41	-2.0	-102.81	362.25	2.02	-100.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)=C(Cl)O1	REAL300000528806	0	34	-2.0	-98.31	334.19	1.21	-97.10
CCC1=C(S(=O)(=O)[N-]C2=CC=C3OCCNC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000528807	0	40	-2.0	-103.51	356.18	2.22	-101.29
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1O	REAL300000528811	0	45	-2.0	-113.74	381.91	4.61	-109.13
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1O	REAL300000528814	0	41	-2.0	-103.70	366.84	5.39	-98.31
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1O	REAL300000528817	0	41	-2.0	-105.30	359.24	4.88	-100.42
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1O	REAL300000528819	0	38	-2.0	-102.23	346.95	3.83	-98.40
CCC(C)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1O	REAL300000528822	1	42	-2.0	-106.04	360.42	4.16	-101.88
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1O	REAL300000528824	0	41	-2.0	-97.98	362.89	4.49	-93.49
CCC(C)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1O	REAL300000528826	1	38	-2.0	-103.94	345.42	3.85	-100.09
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=CC=C1O	REAL300000528830	0	48	-2.0	-114.27	404.20	5.37	-108.90
CCC(C)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000528831	0	44	-2.0	-111.86	384.64	5.37	-106.49
CCC(C)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1O	REAL300000528833	0	41	-2.0	-101.89	356.78	3.95	-97.94
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1O	REAL300000528834	0	45	-2.0	-108.59	382.75	3.90	-104.69
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1O	REAL300000528836	1	44	-2.0	-99.48	374.48	5.63	-93.85
CCC(C)C1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1O	REAL300000528839	1	41	-2.0	-105.44	362.36	4.70	-100.74
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1O	REAL300000528840	1	41	-2.0	-92.74	366.82	5.37	-87.37
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1O	REAL300000528842	0	38	-2.0	-96.77	346.04	3.94	-92.83
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000528843	1	41	-2.0	-99.06	360.17	4.88	-94.18
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1O	REAL300000528844	0	44	-2.0	-106.74	379.54	5.51	-101.23
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1O	REAL300000528845	0	41	-2.0	-94.52	359.23	4.88	-89.64
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1O	REAL300000528848	1	41	-2.0	-97.13	364.59	4.91	-92.22
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1O	REAL300000528849	1	43	-2.0	-92.57	381.96	5.48	-87.09
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1O	REAL300000528850	0	42	-2.0	-107.93	363.48	2.53	-105.40
CCC(C)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1O	REAL300000528850	1	42	-2.0	-107.62	362.67	3.34	-104.28
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1O	REAL300000528856	1	43	-2.0	-106.49	380.33	5.90	-100.59
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1O	REAL300000528857	0	41	-2.0	-96.77	365.52	4.94	-91.83
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1O	REAL300000528859	0	44	-2.0	-106.47	375.25	5.41	-101.06
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1O	REAL300000528860	0	44	-2.0	-105.54	385.51	5.94	-99.60
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1O	REAL300000528861	0	44	-2.0	-112.42	378.80	5.50	-106.92
CCC(C)C1=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=CC=C1O	REAL300000528866	1	45	-2.0	-107.94	381.78	5.02	-102.92
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1O	REAL300000528870	0	43	-2.0	-115.69	377.49	6.66	-109.03
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1O	REAL300000528871	0	41	-2.0	-112.55	357.38	4.84	-107.71
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1O	REAL300000528874	0	40	-2.0	-105.14	350.75	2.87	-102.27
CCC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1O	REAL300000528875	0	45	-2.0	-99.56	381.97	4.61	-94.95
CCC(C)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1O	REAL300000528876	0	38	-2.0	-95.47	353.92	3.79	-91.68
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)CC)=C2)C=C(C(=O)[O-])O1	REAL300000528879	0	44	-2.0	-101.78	375.90	4.80	-96.98
NC(=O)C1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000528903	0	39	-2.0	-118.46	354.70	4.77	-113.69
NC(=O)C1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000528923	0	37	-2.0	-122.56	325.97	3.46	-119.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(C)(C)C)=C1	REAL300000528957	0	45	-2.0	-113.90	374.58	4.73	-109.17
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1O	REAL300000528960	0	41	-2.0	-103.84	359.51	5.50	-98.34
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1O	REAL300000528963	0	41	-2.0	-105.60	351.92	4.99	-100.61
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1O	REAL300000528965	0	38	-2.0	-102.35	339.62	3.95	-98.40
CN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000528968	1	42	-2.0	-107.15	353.09	4.29	-102.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)(C)C)=C2)=C1	REAL300000528970	0	41	-2.0	-98.60	355.56	4.61	-93.99
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1O	REAL300000528972	1	38	-2.0	-104.34	338.09	3.96	-100.38
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(C)(C)C)=C1	REAL300000528976	0	48	-2.0	-114.45	396.87	5.50	-108.95
CC(C)(C)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000528977	0	44	-2.0	-113.66	381.56	5.36	-108.30
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000528979	0	41	-2.0	-102.51	349.45	4.07	-98.44
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)(C)C)=C2)=C1	REAL300000528980	0	45	-2.0	-109.17	375.43	4.02	-105.15
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(C)(C)C)=C1	REAL300000528982	1	44	-2.0	-100.08	367.15	5.75	-94.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000528985	1	41	-2.0	-105.42	355.04	4.82	-100.60
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1O	REAL300000528986	1	41	-2.0	-93.41	359.48	5.49	-87.92
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1O	REAL300000528988	0	38	-2.0	-97.64	338.72	4.06	-93.58
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000528989	1	41	-2.0	-99.52	352.84	5.00	-94.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)(C)C)=C2)=C1F	REAL300000528990	0	44	-2.0	-107.06	372.19	5.64	-101.42
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1O	REAL300000528991	0	41	-2.0	-95.40	351.89	5.00	-90.40
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1O	REAL300000528994	1	41	-2.0	-96.98	357.26	5.02	-91.96
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1O	REAL300000528995	1	43	-2.0	-93.54	374.62	5.60	-87.94
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1O	REAL300000528996	0	42	-2.0	-107.98	356.15	2.64	-105.34
CC(C)(C)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1O	REAL300000528996	1	42	-2.0	-104.74	355.32	3.45	-101.29
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1O	REAL300000529002	1	43	-2.0	-106.85	373.02	6.02	-100.83
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1O	REAL300000529003	0	41	-2.0	-97.20	358.18	5.06	-92.14
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000529005	0	44	-2.0	-108.39	371.76	5.63	-102.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)(C)C)=C2)=C1Cl	REAL300000529006	0	44	-2.0	-105.62	378.19	6.07	-99.55
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)(C)C)=C2)=C1	REAL300000529007	0	44	-2.0	-113.00	371.48	5.62	-107.38
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300000529012	1	45	-2.0	-107.82	374.45	5.14	-102.68
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1O	REAL300000529016	0	43	-2.0	-116.27	370.17	6.78	-109.49
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1O	REAL300000529017	0	41	-2.0	-112.99	350.05	4.96	-108.03
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1O	REAL300000529020	0	40	-2.0	-106.41	342.67	3.06	-103.35
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(O)C(C(C)(C)C)=C1	REAL300000529021	0	45	-2.0	-100.22	374.64	4.73	-95.49
CC(C)(C)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1O	REAL300000529022	0	38	-2.0	-95.89	346.59	3.92	-91.97
CCC1=C(S(=O)(=O)[N-]C2=CC=C(O)C(C(C)(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000529025	0	44	-2.0	-102.43	368.57	4.92	-97.51
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000529026	0	42	-2.0	-86.31	380.79	1.17	-85.14
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000529027	0	35	-2.0	-101.82	328.89	2.62	-99.20
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000529028	0	43	-2.0	-102.72	383.96	3.70	-99.02
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000529029	0	35	-2.0	-99.06	340.76	3.27	-95.79
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000529030	0	35	-2.0	-91.99	324.32	2.59	-89.40
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000529031	0	35	-2.0	-103.89	324.34	2.58	-101.31
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000529032	0	39	-2.0	-108.70	352.48	2.40	-106.30
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000529033	0	35	-2.0	-99.47	340.60	3.08	-96.39
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000529034	0	39	-2.0	-92.01	355.78	3.88	-88.13
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000529035	0	38	-2.0	-104.84	340.37	3.12	-101.72
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000529036	0	35	-2.0	-99.52	337.41	3.15	-96.37
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000529037	0	35	-2.0	-99.94	336.86	2.98	-96.96
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000529038	0	35	-2.0	-95.31	349.90	3.52	-91.79
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000529039	0	41	-2.0	-106.19	356.73	3.89	-102.30
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000529040	0	35	-2.0	-100.52	329.81	2.65	-97.87
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000529041	0	41	-2.0	-91.15	367.90	4.18	-86.97
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000529042	0	32	-2.0	-98.20	317.52	1.61	-96.59
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000529043	0	38	-2.0	-104.43	339.77	3.36	-101.07
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000529044	0	39	-2.0	-90.69	355.40	2.87	-87.82
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000529045	0	46	-2.0	-87.41	401.17	3.65	-83.76
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000529046	0	36	-2.0	-102.47	330.99	1.94	-100.53
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000529047	0	39	-2.0	-105.04	348.54	1.40	-103.64
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000529048	0	35	-2.0	-94.36	333.45	2.27	-92.09
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000529049	0	41	-2.0	-105.47	355.80	3.91	-101.56
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000529050	0	32	-2.0	-99.60	315.99	1.63	-97.97
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000529051	0	43	-2.0	-104.06	382.67	2.40	-101.66
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000529052	0	39	-2.0	-109.51	351.62	2.65	-106.86
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000529053	0	45	-2.0	-107.85	379.57	5.12	-102.73
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000529054	0	44	-2.0	-106.36	378.24	4.58	-101.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]NC(=O)OC(C)CC	REAL300000529055	0	41	-2.0	-102.79	354.48	4.11	-98.68
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000529056	0	42	-2.0	-109.35	374.77	3.15	-106.20
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000529057	0	37	-3.0	-176.46	352.75	3.15	-173.31
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000529058	0	42	-2.0	-108.20	368.59	4.47	-103.73
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000529059	0	35	-2.0	-97.89	327.34	1.73	-96.16
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000529060	0	41	-2.0	-108.56	366.50	2.36	-106.20
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000529061	0	39	-2.0	-104.96	353.24	1.69	-103.27
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000529062	0	43	-2.0	-91.69	377.97	3.20	-88.49
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000529063	0	35	-2.0	-93.64	352.02	3.44	-90.20
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000529064	0	35	-2.0	-96.56	341.93	3.17	-93.39
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000529065	0	39	-2.0	-89.39	371.45	3.41	-85.98
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000529066	0	42	-2.0	-91.09	375.49	3.58	-87.51
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000529067	0	45	-2.0	-90.54	404.09	3.84	-86.70
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000529068	0	38	-2.0	-95.42	345.05	3.39	-92.03
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000529069	0	48	-2.0	-91.46	417.94	4.51	-86.95
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000529070	0	39	-2.0	-90.43	361.65	2.93	-87.50
CCOC1=CC=C(S(=O)(=O)[N-]NC(=O)OC(C)CC)C=C1C(=O)[O-]	REAL300000529071	0	42	-2.0	-110.14	373.48	3.56	-106.58
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000529072	0	35	-2.0	-101.14	332.93	2.49	-98.65
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000529073	0	35	-2.0	-93.49	352.56	3.59	-89.90
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000529074	0	35	-2.0	-89.78	337.39	3.13	-86.65
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000529075	0	35	-2.0	-89.50	340.74	3.26	-86.24
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000529076	0	35	-2.0	-91.79	328.86	2.63	-89.16
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000529077	0	32	-2.0	-93.30	316.60	1.72	-91.58
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000529078	0	35	-2.0	-95.02	330.75	2.65	-92.37
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000529079	0	38	-2.0	-101.79	350.09	3.29	-98.50
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000529080	0	39	-2.0	-94.43	364.65	3.19	-91.24
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000529081	0	35	-2.0	-91.12	329.80	2.66	-88.46
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000529082	0	35	-2.0	-89.65	336.83	2.99	-86.66
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000529083	0	38	-2.0	-97.02	353.78	3.77	-93.25
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000529084	0	43	-2.0	-89.07	388.08	4.00	-85.07
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529085	0	35	-2.0	-89.28	340.57	3.08	-86.20
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000529086	0	35	-2.0	-93.51	335.17	2.68	-90.83
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000529087	0	37	-2.0	-89.27	352.54	3.26	-86.01
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000529088	0	36	-2.0	-103.04	334.05	0.31	-102.73
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000529088	1	35	-3.0	-194.90	330.49	1.19	-193.71
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000529089	0	38	-2.0	-95.02	346.50	3.37	-91.65
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000529090	0	35	-2.0	-94.78	345.05	3.12	-91.66
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000529091	0	38	-2.0	-100.22	334.40	3.22	-97.00
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000529092	0	38	-2.0	-103.05	349.17	3.24	-99.81
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000529093	0	38	-2.0	-92.34	339.33	3.30	-89.04
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000529094	0	41	-2.0	-107.77	361.13	3.75	-104.02
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000529095	0	37	-2.0	-102.97	350.91	3.68	-99.29
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000529096	0	35	-2.0	-92.55	336.09	2.71	-89.84
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000529097	0	41	-2.0	-104.44	357.72	3.91	-100.53
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000529098	0	38	-2.0	-101.50	345.81	3.19	-98.31
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000529099	0	38	-2.0	-101.11	356.10	3.71	-97.40
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000529100	0	38	-2.0	-108.26	349.37	3.28	-104.98
CCC1=CC=C(S(=O)(=O)[N-]NC(=O)OC(C)CC)C=C1C(=O)[O-]	REAL300000529101	0	41	-2.0	-105.33	358.62	3.77	-101.56
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000529102	0	42	-2.0	-106.43	374.81	2.72	-103.71
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000529103	0	38	-2.0	-93.63	350.60	3.70	-89.93
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000529104	0	38	-2.0	-88.82	354.45	3.39	-85.43
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000529105	0	38	-2.0	-101.58	355.56	3.54	-98.04
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000529106	0	35	-2.0	-96.74	345.64	3.20	-93.54
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000529107	0	39	-2.0	-103.69	352.35	2.81	-100.88
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000529108	0	47	-2.0	-104.18	388.74	5.42	-98.76
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000529109	0	35	-2.0	-91.61	349.94	3.14	-88.47
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000529110	0	38	-2.0	-97.02	354.21	3.55	-93.47
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000529111	0	44	-2.0	-101.31	374.05	4.49	-96.82
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000529112	0	39	-2.0	-105.06	364.66	3.20	-101.86
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000529113	0	38	-2.0	-92.02	340.35	3.13	-88.89
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000529114	0	40	-2.0	-96.68	365.05	4.65	-92.03
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000529115	0	38	-2.0	-102.19	344.29	3.40	-98.79
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000529116	0	37	-2.0	-110.75	348.07	4.44	-106.31
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000529117	0	35	-2.0	-107.62	327.99	2.62	-105.00
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000529118	0	38	-2.0	-95.43	345.52	3.16	-92.27
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000529119	0	41	-2.0	-111.33	365.38	4.71	-106.62
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000529120	0	34	-2.0	-100.42	321.32	0.64	-99.78
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000529121	0	39	-2.0	-95.87	352.53	2.39	-93.48
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000529122	0	32	-2.0	-92.03	324.48	1.56	-90.47
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000529123	0	42	-2.0	-97.41	368.32	4.41	-93.00
CCC(C)OC(=O)N[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000529124	0	42	-2.0	-101.43	369.78	4.47	-96.96
CCC1=C(S(=O)(=O)[N-]NC(=O)OC(C)CC)C=C(C(=O)[O-])O1	REAL300000529125	0	38	-2.0	-97.73	346.49	2.51	-95.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C3=C2CCO3)C=C1	REAL300000529126	1	33	-2.0	-90.46	322.79	5.47	-84.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Br)C3=C2CCO3)=C1	REAL300000529127	1	33	-2.0	-102.68	322.77	5.47	-97.21
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Br)C3=C2CCO3)=C1	REAL300000529128	0	32	-2.0	-100.24	318.99	3.58	-96.66
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1	REAL300000529129	1	40	-2.0	-86.92	363.07	4.09	-82.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CC=C1F	REAL300000529130	1	33	-2.0	-103.13	311.13	5.53	-97.60
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC=C2C=C1	REAL300000529131	0	41	-2.0	-103.72	366.22	6.59	-97.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1	REAL300000529132	1	33	-2.0	-93.37	306.59	5.51	-87.86
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529133	1	33	-2.0	-105.66	306.60	5.50	-100.16
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC=C2C=C1	REAL300000529134	0	37	-2.0	-110.52	334.74	5.30	-105.22
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1	REAL300000529135	1	37	-2.0	-92.87	338.06	6.79	-86.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1C(=O)[O-]	REAL300000529136	1	36	-2.0	-106.70	322.62	6.03	-100.67
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529137	0	33	-2.0	-100.83	319.67	6.07	-94.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CC=C1Cl	REAL300000529138	1	33	-2.0	-101.49	319.11	5.89	-95.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C(Cl)C=C1Cl	REAL300000529139	0	33	-2.0	-96.47	332.17	6.46	-90.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1C	REAL300000529140	1	39	-2.0	-108.12	339.28	6.85	-101.27
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529141	0	33	-2.0	-102.55	312.08	5.56	-96.99
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1	REAL300000529142	1	39	-2.0	-92.25	350.18	7.09	-85.16
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529143	0	30	-2.0	-99.97	299.79	4.52	-95.45
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC=C2C=C1	REAL300000529144	1	36	-2.0	-105.99	322.03	6.29	-99.70
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1C(=O)[O-]	REAL300000529146	0	34	-2.0	-104.00	313.25	4.86	-99.14
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529148	0	33	-2.0	-96.22	315.71	5.18	-91.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CS1	REAL300000529150	0	30	-2.0	-101.38	298.25	4.55	-96.83
COC1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CC(C(=O)[O-])=C1OC	REAL300000529151	1	41	-2.0	-106.11	364.93	5.32	-100.79
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529153	1	43	-2.0	-109.77	361.83	8.14	-101.63
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC=C2C=C1	REAL300000529154	1	42	-2.0	-108.09	360.50	7.53	-100.56
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC=C2C=C1	REAL300000529155	1	39	-2.0	-104.17	336.74	7.24	-96.93
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC=C2C=C1	REAL300000529156	0	40	-2.0	-111.47	357.03	6.07	-105.40
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=CC=NC=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000529157	0	36	-2.0	-109.24	337.51	6.07	-103.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000529157	1	35	-3.0	-180.97	335.01	6.06	-174.91
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529158	1	40	-2.0	-110.16	350.85	7.40	-102.76
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C(C(=O)[O-])O1	REAL300000529159	0	33	-2.0	-99.41	309.61	4.65	-94.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CC2=C1OCCO2	REAL300000529160	1	39	-2.0	-110.34	348.77	5.27	-105.07
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529161	0	37	-2.0	-106.80	335.59	4.59	-102.21
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=NC=C4C=C3)C=C2C1	REAL300000529162	1	41	-2.0	-92.06	359.53	6.10	-85.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CC(Cl)=C1Cl	REAL300000529163	1	33	-2.0	-95.31	334.29	6.35	-88.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C(Cl)C=C1F	REAL300000529164	0	33	-2.0	-97.64	324.20	6.09	-91.55
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1Cl	REAL300000529165	1	37	-2.0	-90.13	353.72	6.32	-83.81
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC=C2C=C1	REAL300000529167	1	36	-2.0	-96.74	327.31	6.33	-90.41
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1F	REAL300000529168	1	37	-2.0	-91.18	343.91	5.85	-85.33
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C(C(=O)[O-])S1	REAL300000529170	0	33	-2.0	-102.54	315.20	5.41	-97.13
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529171	0	33	-2.0	-94.69	334.82	6.52	-88.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C(Cl)=C1	REAL300000529172	0	33	-2.0	-90.92	319.65	6.06	-84.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1F	REAL300000529173	1	33	-2.0	-92.99	311.14	5.54	-87.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)S1	REAL300000529174	0	30	-2.0	-95.06	298.87	4.63	-90.43
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529175	1	33	-2.0	-96.53	313.01	5.57	-90.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1F	REAL300000529176	0	36	-2.0	-103.94	332.37	6.20	-97.74
COC1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000529177	0	37	-2.0	-95.64	346.91	6.14	-89.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C(F)=C1	REAL300000529178	0	33	-2.0	-92.91	312.06	5.57	-87.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1Cl	REAL300000529179	1	33	-2.0	-90.97	319.11	5.90	-85.07
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC=C2C=C1	REAL300000529180	1	36	-2.0	-98.33	336.04	6.71	-91.62
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1	REAL300000529181	1	41	-2.0	-89.63	370.34	6.91	-82.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CC(F)=C1F	REAL300000529182	1	33	-2.0	-94.79	317.43	5.59	-89.20
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529183	0	35	-2.0	-90.78	334.80	6.17	-84.61
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529184	0	34	-2.0	-104.81	316.32	3.21	-101.60
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=CC=NC=C3C=C2)=C1	REAL300000529184	1	34	-2.0	-104.79	315.56	4.01	-100.78
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1	REAL300000529185	1	36	-2.0	-97.86	328.78	6.28	-91.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CC(Cl)=C1F	REAL300000529186	1	33	-2.0	-96.21	327.32	6.03	-90.18
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=CC=NC=C2C=C1	REAL300000529187	1	36	-2.0	-102.22	316.15	6.18	-96.04
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CC(C(=O)[O-])=C1F	REAL300000529188	1	36	-2.0	-104.50	331.44	6.15	-98.35
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CC(C(=O)[O-])=C1C	REAL300000529190	1	39	-2.0	-110.05	343.40	6.67	-103.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CC=C1[N+](=O)[O-]	REAL300000529191	0	35	-2.0	-104.18	333.16	6.59	-97.59
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529192	0	33	-2.0	-94.36	318.36	5.63	-88.73
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1C(=O)[O-]	REAL300000529194	0	36	-2.0	-104.80	331.92	6.21	-98.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1Cl	REAL300000529195	0	36	-2.0	-102.51	338.34	6.64	-95.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529196	0	36	-2.0	-110.87	331.64	6.19	-104.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1C(=O)[O-]	REAL300000529197	1	39	-2.0	-107.36	340.83	6.69	-100.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1CC(=O)[O-]	REAL300000529198	1	40	-2.0	-106.78	357.06	5.63	-101.15
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=CC=NC=C2C=C1	REAL300000529199	1	36	-2.0	-95.40	332.86	6.70	-88.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1C(F)(F)F	REAL300000529200	1	36	-2.0	-90.00	336.71	6.31	-83.69
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000529201	1	36	-2.0	-103.22	337.83	6.46	-96.76
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1C(=O)[O-]	REAL300000529202	0	37	-2.0	-105.21	334.61	5.73	-99.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C(F)C(Cl)=C1F	REAL300000529204	0	33	-2.0	-93.07	332.18	6.06	-87.01
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1C(=O)[O-]	REAL300000529205	1	36	-2.0	-100.16	340.35	6.57	-93.59
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C(C(=O)[O-])S1	REAL300000529206	0	42	-2.0	-102.12	356.06	7.64	-94.48
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1C(=O)[O-]	REAL300000529207	0	37	-2.0	-106.35	346.93	6.14	-100.21
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CC=C1C(=O)[O-]	REAL300000529208	1	36	-2.0	-93.51	322.61	6.04	-87.47
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C([N+](=O)[O-])=C1	REAL300000529209	0	38	-2.0	-98.64	349.87	7.69	-90.95
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC=C2C=C1	REAL300000529210	1	36	-2.0	-103.79	326.14	6.34	-97.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1[N+](=O)[O-]	REAL300000529211	0	35	-2.0	-113.32	330.32	7.37	-105.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1F	REAL300000529212	0	33	-2.0	-110.13	310.26	5.53	-104.60
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C1C(=O)[O-]	REAL300000529213	1	36	-2.0	-98.34	331.54	6.18	-92.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=CC2=CC=CC=C21	REAL300000529214	1	39	-2.0	-113.81	347.64	7.63	-106.18
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C1	REAL300000529215	0	32	-2.0	-102.25	303.59	3.56	-98.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=CC=NC=C2C=C1	REAL300000529216	0	37	-2.0	-97.48	334.80	5.29	-92.19
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)=C(Cl)O1	REAL300000529217	0	30	-2.0	-93.35	306.75	4.48	-88.87
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=NC=C4C=C3)C=C2)CC1	REAL300000529218	1	40	-2.0	-99.58	352.73	7.39	-92.19
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=NC=C4C=C3)C=C2C1	REAL300000529219	1	40	-2.0	-103.60	352.07	7.39	-96.21
CCC1=C(S(=O)(=O)[N-]C2=CC3=CC=NC=C3C=C2)C=C(C(=O)[O-])O1	REAL300000529220	0	36	-2.0	-99.12	328.73	5.51	-93.61
CC1=CC(OC2=CC=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000529224	0	38	-2.0	-105.40	365.43	5.16	-100.24
CC1=CC(OC2=CC=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000529226	1	42	-2.0	-109.47	378.88	5.49	-103.98
CC1=CC(OC2=CC=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000529227	1	38	-2.0	-106.98	363.89	5.17	-101.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=N3)C=C2C)C=C(C(=O)[O-])O1	REAL300000529228	0	41	-2.0	-105.07	375.25	5.28	-99.79
CC1=CC(OC2=CC=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000529229	0	38	-2.0	-100.33	364.50	5.27	-95.06
CC1=CC(OC2=CC=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000529234	0	40	-2.0	-108.89	368.45	4.26	-104.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=CC=C1F	REAL300000529235	1	35	-2.0	-104.90	330.06	7.23	-97.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529237	1	35	-2.0	-108.69	325.52	7.20	-101.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2(F)F)=C1	REAL300000529238	0	39	-2.0	-116.00	353.67	7.00	-109.00
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C=C1	REAL300000529239	1	39	-2.0	-95.21	356.98	8.49	-86.72
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529241	0	35	-2.0	-106.08	338.59	7.77	-98.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=CC=C1Cl	REAL300000529242	1	35	-2.0	-103.31	338.03	7.59	-95.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1C	REAL300000529243	1	41	-2.0	-111.91	358.19	8.54	-103.37
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529244	0	35	-2.0	-108.15	331.00	7.26	-100.89
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C=C1	REAL300000529245	1	41	-2.0	-94.39	369.10	8.79	-85.60
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529246	0	32	-2.0	-105.03	318.71	6.22	-98.81
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2(F)F)=C1	REAL300000529247	1	38	-2.0	-109.68	340.94	7.98	-101.70
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C=C1C(=O)[O-]	REAL300000529249	1	36	-2.0	-106.90	332.16	6.54	-100.36
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529251	0	35	-2.0	-98.16	334.62	6.88	-91.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=CS1	REAL300000529253	0	32	-2.0	-104.20	317.17	6.24	-97.96
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2(F)F)=C1	REAL300000529255	1	44	-2.0	-111.91	379.41	9.20	-102.71
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2(F)F)=C1	REAL300000529256	1	41	-2.0	-109.04	355.67	8.92	-100.12
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2(F)F)=C1	REAL300000529257	0	42	-2.0	-116.94	375.96	7.77	-109.17
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529258	0	38	-2.0	-106.49	356.38	7.76	-98.73
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529258	1	37	-3.0	-183.28	353.93	7.76	-175.52
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529259	1	42	-2.0	-115.46	369.77	9.10	-106.36
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000529260	0	35	-2.0	-104.29	328.53	6.34	-97.95
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529261	0	39	-2.0	-113.31	354.51	6.30	-107.01
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2(F)F)=C1	REAL300000529263	1	38	-2.0	-99.99	346.23	8.02	-91.97
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000529265	1	35	-2.0	-107.50	334.12	7.09	-100.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C(Cl)=C1	REAL300000529266	0	35	-2.0	-96.15	338.57	7.76	-88.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C=C1F	REAL300000529267	1	35	-2.0	-95.04	330.04	7.24	-87.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)S1	REAL300000529268	0	32	-2.0	-96.97	317.79	6.33	-90.64
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529269	1	35	-2.0	-101.51	331.93	7.27	-94.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1F	REAL300000529270	0	38	-2.0	-109.57	351.28	7.90	-101.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C(F)=C1	REAL300000529271	0	35	-2.0	-98.48	330.98	7.27	-91.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C=C1Cl	REAL300000529272	1	35	-2.0	-93.05	338.01	7.60	-85.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=CC(F)=C1F	REAL300000529273	1	35	-2.0	-100.79	336.34	7.29	-93.50
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529274	1	37	-2.0	-92.57	353.71	7.86	-84.71
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529275	0	36	-2.0	-109.95	335.24	4.90	-105.05
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529275	1	36	-2.0	-108.12	334.40	5.68	-102.44
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C=C1	REAL300000529276	1	38	-2.0	-99.14	347.70	7.99	-91.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2(F)F)=C1	REAL300000529277	1	38	-2.0	-108.49	335.61	7.83	-100.66
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000529278	1	38	-2.0	-106.31	350.35	7.85	-98.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=CC=C1[N+](=O)[O-]	REAL300000529281	0	37	-2.0	-106.78	352.10	8.28	-98.50
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529282	0	35	-2.0	-99.91	337.28	7.33	-92.58
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C=C1C(=O)[O-]	REAL300000529284	0	38	-2.0	-108.10	351.01	7.91	-100.19
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529285	0	38	-2.0	-112.30	350.55	7.89	-104.41
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C=C1C(=O)[O-]	REAL300000529286	1	41	-2.0	-112.47	359.69	8.39	-104.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C=C1C(=O)[O-]	REAL300000529288	1	39	-2.0	-108.15	353.53	7.42	-100.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1[N+](=O)[O-]	REAL300000529291	0	37	-2.0	-114.27	349.24	9.05	-105.22
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1F	REAL300000529292	0	35	-2.0	-111.47	329.13	7.22	-104.25
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C=C1C(=O)[O-]	REAL300000529293	1	38	-2.0	-104.78	350.79	7.89	-96.89
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000529294	0	34	-2.0	-108.78	321.74	5.32	-103.46
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2(F)F)=C1	REAL300000529295	0	39	-2.0	-99.83	353.71	7.00	-92.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)=C(Cl)O1	REAL300000529296	0	32	-2.0	-98.45	325.67	6.19	-92.26
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4CC4(F)F)=C3)C=C2)CC1	REAL300000529297	1	42	-2.0	-102.47	371.64	9.09	-93.38
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4CC4(F)F)=C3)C=C2C1	REAL300000529298	1	42	-2.0	-109.02	370.97	9.08	-99.94
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000529299	0	38	-2.0	-103.88	347.66	7.19	-96.69
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000529300	0	38	-2.0	-96.38	359.77	5.19	-91.19
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000529301	0	38	-2.0	-109.49	359.78	5.18	-104.31
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000529302	0	41	-2.0	-109.22	375.80	5.71	-103.51
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000529303	0	35	-2.0	-103.58	352.97	4.20	-99.38
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000529304	0	41	-2.0	-110.87	375.22	5.97	-104.90
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000529305	0	39	-2.0	-107.56	366.43	4.52	-103.04
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000529306	0	35	-2.0	-105.03	351.43	4.22	-100.81
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000529307	0	38	-2.0	-103.60	362.79	4.32	-99.28
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000529308	0	35	-2.0	-97.86	352.05	4.31	-93.55
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000529309	0	39	-2.0	-109.76	369.50	2.89	-106.87
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000529310	0	41	-2.0	-100.11	381.96	5.96	-94.15
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000529311	0	41	-2.0	-103.99	369.82	5.84	-98.15
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000529312	0	41	-2.0	-96.83	375.19	5.96	-90.87
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000529313	0	41	-2.0	-98.11	379.85	5.84	-92.27
COC(=O)C1=CC(F)=C(OC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000529314	0	37	-2.0	-106.09	356.00	3.30	-102.79
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2N=C1C	REAL300000529315	1	38	-2.0	-108.41	344.97	4.60	-103.81
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2N=C1C	REAL300000529316	1	38	-2.0	-98.51	340.42	4.58	-93.93
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2N=C1C	REAL300000529317	1	38	-2.0	-110.82	340.43	4.57	-106.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NC(C)=C(C)N=C2C=C1	REAL300000529318	0	42	-2.0	-115.51	368.58	4.37	-111.14
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2N=C1C	REAL300000529319	1	42	-2.0	-97.94	371.90	5.86	-92.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000529320	1	41	-2.0	-113.33	360.50	5.22	-108.11
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2N=C1C	REAL300000529321	0	38	-2.0	-105.92	353.50	5.14	-100.78
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2N=C1C	REAL300000529322	1	38	-2.0	-106.67	352.94	4.96	-101.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)=C1C	REAL300000529323	1	44	-2.0	-113.07	373.12	5.92	-107.15
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2N=C1C	REAL300000529324	0	38	-2.0	-107.57	345.91	4.63	-102.94
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2N=C1C	REAL300000529325	1	44	-2.0	-97.00	384.01	6.16	-90.84
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2N=C1C	REAL300000529326	0	35	-2.0	-105.10	333.62	3.59	-101.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NC(C)=C(C)N=C2C=C1	REAL300000529327	1	41	-2.0	-111.03	355.87	5.36	-105.67
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2N=C1C	REAL300000529328	1	42	-2.0	-96.62	371.51	4.85	-91.77
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2N=C1C	REAL300000529329	0	39	-2.0	-109.13	347.09	3.92	-105.21
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)=C1	REAL300000529331	0	38	-2.0	-101.32	349.55	4.25	-97.07
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000529332	1	44	-2.0	-112.19	371.89	5.90	-106.29
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2N=C1C	REAL300000529333	0	35	-2.0	-106.62	332.08	3.62	-103.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000529334	1	42	-2.0	-116.71	367.71	4.64	-112.07
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)C=C2N=C1C	REAL300000529335	1	47	-2.0	-113.08	394.33	6.58	-106.50
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NC(C)=C(C)N=C2C=C1	REAL300000529336	1	44	-2.0	-109.26	370.57	6.30	-102.96
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2N=C1C	REAL300000529337	1	45	-2.0	-115.05	384.69	6.47	-108.58
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C)C(C)=NC3=C2)C=C(C(=O)[O-])O1	REAL300000529338	0	38	-2.0	-104.29	343.44	3.72	-100.57
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)=C1	REAL300000529339	0	42	-2.0	-112.11	369.42	3.66	-108.45
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2N=C1C	REAL300000529340	1	41	-2.0	-101.79	361.15	5.40	-96.39
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=C(C)C(C)=NC3=C2)C=C(C(=O)[O-])S1	REAL300000529341	0	38	-2.0	-107.58	349.03	4.48	-103.10
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2N=C1C	REAL300000529342	0	38	-2.0	-96.19	353.48	5.13	-91.06
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2N=C1C	REAL300000529343	1	38	-2.0	-98.05	344.97	4.61	-93.44
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2N=C1C	REAL300000529344	0	35	-2.0	-100.16	332.71	3.70	-96.46
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2N=C1C	REAL300000529345	1	38	-2.0	-101.73	346.84	4.64	-97.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)=C1F	REAL300000529346	0	41	-2.0	-108.86	366.19	5.27	-103.59
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2N=C1C	REAL300000529347	0	38	-2.0	-98.01	345.90	4.64	-93.37
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2N=C1C	REAL300000529348	1	38	-2.0	-96.07	352.94	4.97	-91.10
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2N=C1C	REAL300000529349	1	38	-2.0	-99.98	351.25	4.66	-95.32
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2N=C1C	REAL300000529350	0	39	-2.0	-109.65	350.15	2.28	-107.37
CC1=NC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2N=C1C	REAL300000529350	1	39	-2.0	-108.66	339.17	3.16	-105.50
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2N=C1C	REAL300000529351	1	41	-2.0	-101.41	362.61	5.35	-96.06
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2N=C1C	REAL300000529352	1	41	-2.0	-107.73	350.51	5.21	-102.52
CC1=CC(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)=CC(C(=O)[O-])=C1F	REAL300000529353	1	41	-2.0	-109.67	365.26	5.22	-104.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=NC(C)=C(C)N=C2C=C1	REAL300000529354	1	41	-2.0	-98.54	355.84	5.35	-93.19
CC1=CC(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)=CC(C(=O)[O-])=C1C	REAL300000529355	1	44	-2.0	-115.20	377.23	5.74	-109.46
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2N=C1C	REAL300000529356	0	38	-2.0	-99.40	352.19	4.69	-94.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)C(C)=C1C(=O)[O-]	REAL300000529357	1	44	-2.0	-111.90	374.91	5.97	-105.93
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000529358	0	41	-2.0	-109.84	365.76	5.27	-104.57
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)=C1	REAL300000529359	0	41	-2.0	-116.40	365.48	5.26	-111.14
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000529360	1	44	-2.0	-112.60	374.66	5.76	-106.84
CCN1C=C(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)C=C1C(=O)[O-]	REAL300000529361	0	42	-2.0	-110.42	368.45	4.79	-105.63
CC1=CC(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)=CC=C1C(=O)[O-]	REAL300000529362	1	41	-2.0	-98.60	356.44	5.11	-93.49
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NC(C)=C(C)N=C2C=C1	REAL300000529363	1	41	-2.0	-108.39	360.39	5.39	-103.00
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2N=C1C	REAL300000529364	0	38	-2.0	-115.76	344.05	4.59	-111.17
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2N=C1C	REAL300000529365	1	41	-2.0	-103.57	365.37	5.25	-98.32
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2N=C1C	REAL300000529366	0	37	-2.0	-108.43	336.65	2.70	-105.73
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=NC(C)=C(C)N=C2C=C1	REAL300000529367	0	42	-2.0	-102.51	368.63	4.37	-98.14
CC1=NC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2N=C1C	REAL300000529368	0	35	-2.0	-98.36	340.58	3.55	-94.81
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2N=C1C	REAL300000529369	1	45	-2.0	-104.64	386.56	6.46	-98.18
CC1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2N=C1C	REAL300000529370	1	45	-2.0	-109.08	385.87	6.46	-102.62
CCC1=C(S(=O)(=O)[N-]C2=CC3=NC(C)=C(C)N=C3C=C2)C=C(C(=O)[O-])O1	REAL300000529371	0	41	-2.0	-103.92	362.56	4.57	-99.35
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)N=N1	REAL300000529372	0	40	-2.0	-96.51	363.50	2.44	-94.07
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)N=N1	REAL300000529373	0	33	-2.0	-112.46	311.57	3.88	-108.58
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=N1	REAL300000529374	0	41	-2.0	-114.82	366.64	4.98	-109.84
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)N=N1	REAL300000529375	0	33	-2.0	-110.79	323.46	4.58	-106.21
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)N=N1	REAL300000529376	0	33	-2.0	-102.35	307.02	3.86	-98.49
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)N=N1	REAL300000529377	0	33	-2.0	-115.15	307.03	3.85	-111.30
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=N1	REAL300000529378	0	37	-2.0	-121.59	335.16	3.68	-117.91
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)N=N1	REAL300000529379	0	33	-2.0	-110.49	323.28	4.34	-106.15
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)N=N1	REAL300000529380	0	37	-2.0	-102.51	338.49	5.15	-97.36
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C=C1C(=O)[O-]	REAL300000529381	0	36	-2.0	-117.56	327.10	4.50	-113.06
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)N=N1	REAL300000529382	0	33	-2.0	-111.52	320.11	4.44	-107.08
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)N=N1	REAL300000529383	0	33	-2.0	-110.90	319.55	4.25	-106.65
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)N=N1	REAL300000529384	0	33	-2.0	-107.01	332.60	4.81	-102.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)=C1C	REAL300000529385	0	39	-2.0	-119.23	339.70	5.23	-114.00
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)N=N1	REAL300000529386	0	33	-2.0	-112.97	312.49	3.92	-109.05
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)N=N1	REAL300000529387	0	39	-2.0	-101.99	350.58	5.44	-96.55
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)N=N1	REAL300000529388	0	30	-2.0	-109.11	300.22	2.88	-106.23
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=N1	REAL300000529389	0	36	-2.0	-117.09	322.46	4.64	-112.45
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)N=N1	REAL300000529390	0	37	-2.0	-101.12	338.11	4.14	-96.98
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)N=N1	REAL300000529391	0	44	-2.0	-97.76	383.86	4.91	-92.85
CC(C)N1C=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)N=N1	REAL300000529392	0	30	-2.0	-106.66	317.24	3.64	-103.02
CC(C)N1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)N=N1	REAL300000529393	0	34	-2.0	-113.43	313.68	3.21	-110.22
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=N1	REAL300000529394	0	37	-2.0	-117.65	330.82	2.71	-114.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)=C1	REAL300000529395	0	33	-2.0	-105.12	316.14	3.55	-101.57
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C=C1C(=O)[O-]	REAL300000529396	0	39	-2.0	-118.41	338.49	5.17	-113.24
CC(C)N1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)N=N1	REAL300000529397	0	30	-2.0	-110.65	298.69	2.89	-107.76
COC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)=CC(C(=O)[O-])=C1OC	REAL300000529398	0	41	-2.0	-115.26	365.36	3.66	-111.60
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C=C1C(=O)[O-]	REAL300000529399	0	37	-2.0	-121.00	334.32	3.92	-117.08
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)N=N1	REAL300000529400	0	43	-2.0	-121.06	362.27	6.50	-114.56
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=N1	REAL300000529401	0	42	-2.0	-119.52	360.93	5.87	-113.65
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=N1	REAL300000529402	0	39	-2.0	-115.71	337.16	5.59	-110.12
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=N1	REAL300000529403	0	40	-2.0	-121.51	357.45	4.44	-117.07
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)N=N1	REAL300000529404	0	35	-3.0	-188.72	335.43	4.42	-184.30
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)N=N1	REAL300000529405	0	40	-2.0	-121.30	351.30	5.76	-115.54
CC1=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C=C(C(=O)[O-])O1	REAL300000529406	0	33	-2.0	-109.27	310.04	3.00	-106.27
CC(C)N1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)N=N1	REAL300000529407	0	39	-2.0	-119.77	349.20	3.63	-116.14
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)=C1	REAL300000529408	0	37	-2.0	-114.95	335.95	2.97	-111.98
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)N=N1	REAL300000529409	0	41	-2.0	-102.60	360.68	4.47	-98.13
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)N=N1	REAL300000529410	0	33	-2.0	-104.53	334.71	4.71	-99.82
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)N=N1	REAL300000529411	0	33	-2.0	-108.03	324.62	4.46	-103.57
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)N=N1	REAL300000529412	0	37	-2.0	-99.54	354.13	4.68	-94.86
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)=CC=C1OCC(=O)[O-]	REAL300000529413	0	40	-2.0	-101.61	358.19	4.85	-96.76
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)N=N1	REAL300000529414	0	43	-2.0	-100.52	386.77	5.11	-95.41
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=N1	REAL300000529415	0	36	-2.0	-107.19	327.74	4.67	-102.52
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)=CC=C1OCCCC(=O)[O-]	REAL300000529416	0	46	-2.0	-102.01	400.62	5.78	-96.23
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)N=N1	REAL300000529417	0	37	-2.0	-100.46	344.33	4.20	-96.26
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C=C1C(=O)[O-]	REAL300000529418	0	40	-2.0	-121.63	356.17	4.83	-116.80
CC1=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C=C(C(=O)[O-])S1	REAL300000529419	0	33	-2.0	-113.03	316.72	3.75	-109.28
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)N=N1	REAL300000529420	0	33	-2.0	-104.98	335.25	4.88	-100.10
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)N=N1	REAL300000529421	0	33	-2.0	-99.91	320.08	4.43	-95.48
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)N=N1	REAL300000529422	0	33	-2.0	-99.42	323.43	4.57	-94.85
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)N=N1	REAL300000529423	0	33	-2.0	-101.73	311.57	3.89	-97.84
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)N=N1	REAL300000529424	0	30	-2.0	-103.91	299.29	2.99	-100.92
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)N=N1	REAL300000529425	0	33	-2.0	-105.80	313.44	3.92	-101.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)=C1F	REAL300000529426	0	36	-2.0	-114.43	332.79	4.56	-109.87
COC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)=C(Cl)C=C1C(=O)[O-]	REAL300000529427	0	37	-2.0	-104.40	347.33	4.48	-99.92
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)N=N1	REAL300000529428	0	33	-2.0	-101.54	312.49	3.93	-97.61
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)N=N1	REAL300000529429	0	33	-2.0	-99.85	319.54	4.26	-95.59
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=N1	REAL300000529430	0	36	-2.0	-109.02	336.47	5.06	-103.96
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)N=N1	REAL300000529431	0	41	-2.0	-99.37	370.77	5.27	-94.10
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)N=N1	REAL300000529432	0	33	-2.0	-99.43	323.27	4.35	-95.08
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)N=N1	REAL300000529433	0	33	-2.0	-103.78	317.85	3.95	-99.83
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)N=N1	REAL300000529434	0	35	-2.0	-99.82	335.22	4.52	-95.30
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)N=N1	REAL300000529435	0	34	-2.0	-116.29	316.75	1.59	-114.70
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)N=N1	REAL300000529436	0	36	-2.0	-106.80	329.18	4.64	-102.16
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)N=N1	REAL300000529437	0	33	-2.0	-105.35	327.74	4.39	-100.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=N1	REAL300000529438	0	36	-2.0	-110.49	317.10	4.49	-106.00
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)=CC(C(=O)[O-])=C1F	REAL300000529439	0	36	-2.0	-113.72	331.87	4.51	-109.21
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=N1	REAL300000529440	0	36	-2.0	-102.76	322.44	4.63	-98.13
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)=CC(C(=O)[O-])=C1C	REAL300000529441	0	39	-2.0	-118.16	340.50	4.94	-113.22
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)N=N1	REAL300000529442	0	35	-2.0	-113.03	333.59	4.95	-108.08
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)N=N1	REAL300000529443	0	33	-2.0	-104.28	318.79	3.98	-100.30
CC(C)N1C=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)N=N1	REAL300000529444	0	30	-2.0	-101.66	319.61	3.54	-98.12
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C(C)=C1C(=O)[O-]	REAL300000529445	0	39	-2.0	-114.96	340.42	5.28	-109.68
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C=C1C(=O)[O-]	REAL300000529446	0	36	-2.0	-115.39	332.35	4.55	-110.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)=C1Cl	REAL300000529447	0	36	-2.0	-113.25	338.79	5.00	-108.25
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)=C1	REAL300000529448	0	36	-2.0	-118.91	332.06	4.55	-114.36
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C=C1C(=O)[O-]	REAL300000529449	0	39	-2.0	-117.13	340.97	5.04	-112.09
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C=C1CC(=O)[O-]	REAL300000529450	0	40	-2.0	-117.60	357.49	3.99	-113.61
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=N1	REAL300000529451	0	36	-2.0	-103.90	333.29	5.05	-98.85
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)N=N1	REAL300000529452	0	36	-2.0	-98.81	337.14	4.67	-94.14
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)=CC(C(=O)[O-])=C1Cl	REAL300000529453	0	36	-2.0	-112.65	338.26	4.81	-107.84
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)N=N1	REAL300000529454	0	33	-2.0	-107.73	328.32	4.47	-103.26
CCN1C=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C=C1C(=O)[O-]	REAL300000529455	0	37	-2.0	-114.71	335.06	4.08	-110.63
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C(C)=C1CC(=O)[O-]	REAL300000529456	0	45	-2.0	-114.68	372.18	6.73	-107.95
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)N=N1	REAL300000529457	0	33	-2.0	-102.92	332.64	4.41	-98.51
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)N=N1	REAL300000529458	0	37	-2.0	-101.37	351.73	4.17	-97.20
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C=C1C(=O)[O-]	REAL300000529459	0	36	-2.0	-108.41	336.90	4.82	-103.59
CC(C)N1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)N=N1	REAL300000529460	0	42	-2.0	-113.03	356.47	5.95	-107.08
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C=C1C(=O)[O-]	REAL300000529461	0	37	-2.0	-117.08	347.36	4.49	-112.59
CC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)=CC=C1C(=O)[O-]	REAL300000529462	0	36	-2.0	-102.49	323.03	4.40	-98.09
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])N=N1	REAL300000529463	0	38	-2.0	-107.51	350.31	6.07	-101.44
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=N1	REAL300000529464	0	36	-2.0	-114.62	326.57	4.71	-109.91
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])N=N1	REAL300000529465	0	35	-2.0	-121.22	330.76	5.73	-115.49
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)N=N1	REAL300000529466	0	33	-2.0	-118.15	310.69	3.89	-114.26
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C=C1C(=O)[O-]	REAL300000529467	0	36	-2.0	-106.66	328.20	4.42	-102.24
CC(C)N1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)N=N1	REAL300000529468	0	39	-2.0	-123.35	348.07	5.97	-117.38
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)N=N1	REAL300000529469	0	32	-2.0	-113.28	304.02	1.92	-111.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=N1	REAL300000529470	0	37	-2.0	-106.82	335.23	3.67	-103.15
CC(C)N1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)N=N1	REAL300000529471	0	30	-2.0	-102.74	307.17	2.84	-99.90
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)N=N1	REAL300000529472	0	37	-2.0	-110.28	350.82	4.40	-105.88
CC(C)N1C=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)N=N1	REAL300000529473	0	36	-2.0	-105.51	350.36	0.90	-104.61
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)N=N1	REAL300000529474	0	40	-2.0	-109.71	353.14	5.74	-103.97
CC(C)N1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)N=N1	REAL300000529475	0	40	-2.0	-111.87	352.47	5.74	-106.13
CCC1=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=N2)C=C(C(=O)[O-])O1	REAL300000529476	0	36	-2.0	-109.41	329.16	3.86	-105.55
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)N=N1	REAL300000529477	0	37	-2.0	-96.28	344.62	1.91	-94.37
CCN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)N=N1	REAL300000529478	0	30	-2.0	-112.11	292.70	3.35	-108.76
CCN1C=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)N=N1	REAL300000529479	0	38	-2.0	-114.45	347.78	4.44	-110.01
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)N=N1	REAL300000529480	0	30	-2.0	-110.44	304.59	4.05	-106.39
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)N=N1	REAL300000529481	0	34	-2.0	-121.17	316.29	3.15	-118.02
CCN1C=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)N=N1	REAL300000529482	0	30	-2.0	-110.13	304.41	3.81	-106.32
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)N=N1	REAL300000529483	0	34	-2.0	-102.22	319.62	4.62	-97.60
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)N=N1	REAL300000529484	0	33	-2.0	-117.08	308.23	3.97	-113.11
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)N=N1	REAL300000529485	0	30	-2.0	-111.09	301.24	3.91	-107.18
CCN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)N=N1	REAL300000529486	0	30	-2.0	-110.54	300.67	3.72	-106.82
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)N=N1	REAL300000529487	0	30	-2.0	-106.64	313.73	4.28	-102.36
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)N=N1	REAL300000529488	0	36	-2.0	-118.87	320.83	4.69	-114.18
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)N=N1	REAL300000529489	0	30	-2.0	-112.63	293.63	3.39	-109.24
CCN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)N=N1	REAL300000529490	0	36	-2.0	-101.69	331.73	4.91	-96.78
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)N=N1	REAL300000529491	0	27	-2.0	-108.87	281.36	2.35	-106.52
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)N=N1	REAL300000529492	0	33	-2.0	-116.73	303.60	4.11	-112.62
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)N=N1	REAL300000529493	0	34	-2.0	-100.88	319.23	3.61	-97.27
CCN1C=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)N=N1	REAL300000529494	0	41	-2.0	-97.55	364.99	4.39	-93.16
CCN1C=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)N=N1	REAL300000529495	0	27	-2.0	-106.39	298.38	3.11	-103.28
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)N=N1	REAL300000529496	0	34	-2.0	-117.27	311.95	2.18	-115.09
CCN1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2F)N=N1	REAL300000529497	0	30	-2.0	-109.65	313.08	3.96	-105.69
CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)N=N1	REAL300000529498	0	30	-2.0	-104.82	297.27	3.02	-101.80
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)N=N1	REAL300000529499	0	36	-2.0	-118.00	319.62	4.64	-113.36
CCN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)N=N1	REAL300000529500	0	27	-2.0	-110.34	279.82	2.36	-107.98
CCN1C=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)N=N1	REAL300000529501	0	38	-2.0	-114.86	346.49	3.13	-111.73
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)N=N1	REAL300000529502	0	34	-2.0	-120.54	315.44	3.39	-117.15
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)N=N1	REAL300000529503	0	40	-2.0	-120.63	343.40	5.97	-114.66
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)N=N1	REAL300000529504	0	39	-2.0	-119.09	342.06	5.34	-113.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC)N=N1	REAL300000529505	0	36	-2.0	-115.33	318.29	5.06	-110.27
CCN1C=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)N=N1	REAL300000529506	0	37	-2.0	-120.95	338.59	3.90	-117.05
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)N=N1	REAL300000529507	0	32	-3.0	-188.08	316.57	3.89	-184.19
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)N=N1	REAL300000529508	0	37	-2.0	-120.85	332.43	5.23	-115.62
CCN1C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)N=N1	REAL300000529509	0	30	-2.0	-109.07	291.18	2.47	-106.60
CCN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)N=N1	REAL300000529510	0	36	-2.0	-119.47	330.34	3.10	-116.37
CCN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)N=N1	REAL300000529511	0	34	-2.0	-114.56	317.09	2.42	-112.14
CCN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)N=N1	REAL300000529512	0	38	-2.0	-102.31	341.82	3.94	-98.37
CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)N=N1	REAL300000529513	0	30	-2.0	-104.18	315.85	4.17	-100.01
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)N=N1	REAL300000529514	0	30	-2.0	-107.68	305.75	3.93	-103.75
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)N=N1	REAL300000529515	0	34	-2.0	-99.33	335.28	4.15	-95.18
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)N=N1	REAL300000529516	0	37	-2.0	-101.29	339.32	4.31	-96.98
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)N=N1	REAL300000529517	0	40	-2.0	-100.32	367.91	4.58	-95.74
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)N=N1	REAL300000529518	0	33	-2.0	-106.93	308.87	4.14	-102.79
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)N=N1	REAL300000529519	0	43	-2.0	-101.69	381.75	5.24	-96.45
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)N=N1	REAL300000529520	0	34	-2.0	-100.24	325.47	3.67	-96.57
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)N=N1	REAL300000529521	0	40	-2.0	-99.98	377.71	5.06	-94.92
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(CC)N=N2)C=C1C(=O)[O-]	REAL300000529522	0	37	-2.0	-121.37	337.30	4.30	-117.07
CCN1C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)N=N1	REAL300000529523	0	30	-2.0	-112.66	297.86	3.22	-109.44
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)N=N1	REAL300000529524	0	30	-2.0	-104.63	316.38	4.35	-100.28
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)N=N1	REAL300000529525	0	30	-2.0	-99.60	301.21	3.89	-95.71
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)N=N1	REAL300000529526	0	30	-2.0	-99.08	304.56	4.04	-95.04
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)N=N1	REAL300000529527	0	30	-2.0	-101.47	292.70	3.36	-98.11
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)N=N1	REAL300000529528	0	27	-2.0	-103.70	280.42	2.46	-101.24
CCN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)N=N1	REAL300000529529	0	30	-2.0	-105.56	294.57	3.39	-102.17
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)N=N1	REAL300000529530	0	33	-2.0	-113.97	313.92	4.03	-109.94
CCN1C=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)N=N1	REAL300000529531	0	34	-2.0	-104.08	328.47	3.96	-100.12
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)N=N1	REAL300000529532	0	30	-2.0	-101.28	293.62	3.40	-97.88
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)N=N1	REAL300000529533	0	30	-2.0	-99.61	300.67	3.73	-95.88
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)N=N1	REAL300000529534	0	33	-2.0	-108.69	317.61	4.53	-104.16
CCN1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)N=N1	REAL300000529535	0	33	-2.0	-103.95	318.99	4.62	-99.33
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)N=N1	REAL300000529536	0	38	-2.0	-99.17	351.90	4.74	-94.43
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)N=N1	REAL300000529537	0	30	-2.0	-99.20	304.40	3.82	-95.38
CCN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)N=N1	REAL300000529538	0	30	-2.0	-103.52	298.99	3.42	-100.10
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)N=N1	REAL300000529539	0	32	-2.0	-99.54	316.35	3.99	-95.55
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)N=N1	REAL300000529540	0	31	-2.0	-115.91	297.88	1.06	-114.85
CCN1C=C([N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)N=N1	REAL300000529541	0	33	-2.0	-108.46	322.05	4.39	-104.07
CCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)N=N1	REAL300000529542	0	33	-2.0	-106.54	310.33	4.11	-102.43
CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)N=N1	REAL300000529543	0	30	-2.0	-104.98	308.87	3.86	-101.12
CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)N=N1	REAL300000529544	0	33	-2.0	-110.33	297.71	4.01	-106.32
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)N=N1	REAL300000529545	0	33	-2.0	-109.19	321.64	4.61	-104.58
CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)N=N1	REAL300000529546	0	33	-2.0	-113.40	313.00	3.97	-109.43
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)N=N1	REAL300000529547	0	33	-2.0	-102.49	303.58	4.10	-98.39
CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)N=N1	REAL300000529548	0	36	-2.0	-117.71	321.63	4.41	-113.30
CCN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)N=N1	REAL300000529549	0	32	-2.0	-112.77	314.72	4.42	-108.35
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)N=N1	REAL300000529550	0	30	-2.0	-103.94	299.92	3.45	-100.49
CCN1C=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)N=N1	REAL300000529551	0	27	-2.0	-101.44	300.74	3.01	-98.43
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)N=N1	REAL300000529552	0	36	-2.0	-114.62	321.56	4.75	-109.87
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)N=N1	REAL300000529553	0	33	-2.0	-114.91	313.48	4.02	-110.89
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)N=N1	REAL300000529554	0	33	-2.0	-112.82	319.93	4.47	-108.35
CCN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)N=N1	REAL300000529555	0	33	-2.0	-118.45	313.20	4.02	-114.43
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC)N=N2)C=C1C(=O)[O-]	REAL300000529556	0	36	-2.0	-116.69	322.10	4.51	-112.18
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)N=N1	REAL300000529557	0	30	-2.0	-107.14	309.10	4.07	-103.07
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)N=N1	REAL300000529558	0	37	-2.0	-117.28	338.63	3.46	-113.82
CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)N=N1	REAL300000529559	0	33	-2.0	-103.55	314.43	4.52	-99.03
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)N=N1	REAL300000529560	0	33	-2.0	-98.60	318.28	4.14	-94.46
CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)N=N1	REAL300000529561	0	33	-2.0	-112.26	319.39	4.28	-107.98
CCN1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)N=N1	REAL300000529562	0	30	-2.0	-107.47	309.45	3.94	-103.53
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Br)N=N1	REAL300000529563	0	33	-2.0	-112.44	322.74	4.61	-107.83
CCN1C=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)N=N1	REAL300000529564	0	34	-2.0	-114.28	316.19	3.55	-110.73
CCN1C=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)N=N1	REAL300000529565	0	42	-2.0	-114.77	353.07	6.18	-108.59
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2Br)N=N1	REAL300000529566	0	30	-2.0	-102.56	310.27	4.09	-98.47
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)N=N1	REAL300000529567	0	30	-2.0	-102.61	313.77	3.88	-98.73
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)N=N1	REAL300000529568	0	34	-2.0	-101.07	332.87	3.64	-97.43
CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)N=N1	REAL300000529569	0	33	-2.0	-107.98	318.03	4.29	-103.69
CCN1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)N=N1	REAL300000529570	0	39	-2.0	-112.64	337.61	5.42	-107.22
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)N=N1	REAL300000529571	0	34	-2.0	-116.68	328.49	3.96	-112.72
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)N=N1	REAL300000529572	0	33	-2.0	-102.16	304.17	3.87	-98.29
CCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])N=N1	REAL300000529573	0	35	-2.0	-107.17	331.44	5.54	-101.63
CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)N=N1	REAL300000529574	0	33	-2.0	-114.25	307.70	4.18	-110.07
CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])N=N1	REAL300000529575	0	32	-2.0	-120.86	311.89	5.20	-115.66
CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)N=N1	REAL300000529576	0	30	-2.0	-117.81	291.82	3.36	-114.45
CCN1C=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)N=N1	REAL300000529577	0	33	-2.0	-106.25	309.33	3.90	-102.35
CCN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)N=N1	REAL300000529578	0	36	-2.0	-123.00	329.20	5.44	-117.56
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)N=N1	REAL300000529579	0	34	-2.0	-106.46	316.37	3.14	-103.32
CCN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)N=N1	REAL300000529580	0	27	-2.0	-102.51	288.30	2.31	-100.20
CCN1C=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)N=N1	REAL300000529581	0	34	-2.0	-109.88	331.94	3.87	-106.01
CCN1C=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)N=N1	REAL300000529582	0	33	-2.0	-105.18	331.50	0.37	-104.81
CCN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)N=N1	REAL300000529583	0	37	-2.0	-109.40	334.29	5.21	-104.19
CCN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)N=N1	REAL300000529584	0	37	-2.0	-111.41	333.60	5.21	-106.20
CCC1=C(S(=O)(=O)[N-]C2=CN(CC)N=N2)C=C(C(=O)[O-])O1	REAL300000529585	0	33	-2.0	-109.09	310.28	3.32	-105.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Br)=C2F)C=C1	REAL300000529586	1	29	-2.0	-97.52	298.78	2.99	-94.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Br)=C2F)=C1	REAL300000529587	1	29	-2.0	-111.16	298.79	2.98	-108.18
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(O)C=CC(Br)=C2F)=C1	REAL300000529588	0	26	-2.0	-105.21	291.97	2.01	-103.20
CN1C=C(S(=O)(=O)[N-]C2=C(O)C=CC(Br)=C2F)C=C1C(=O)[O-]	REAL300000529589	1	30	-2.0	-108.99	305.43	2.34	-106.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Br)=C2F)=CS1	REAL300000529590	1	26	-2.0	-106.62	290.44	2.03	-104.59
CC1=C(S(=O)(=O)[N-]C2=C(O)C=CC(Br)=C2F)C=C(C(=O)[O-])O1	REAL300000529591	0	29	-2.0	-105.44	301.79	2.13	-103.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Br)=C2F)S1	REAL300000529592	0	26	-2.0	-99.16	291.05	2.12	-97.04
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(O)C=CC(Br)=C2F)=C1	REAL300000529593	0	28	-2.0	-108.79	295.01	1.11	-107.68
CC1=C([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529594	1	32	-2.0	-101.16	322.15	6.66	-94.50
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529595	1	32	-2.0	-97.05	322.12	6.66	-90.39
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2C#N)C=C(Br)C=C1C(=O)[O-]	REAL300000529596	0	32	-2.0	-113.02	323.47	6.65	-106.37
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000529597	0	34	-2.0	-100.62	321.30	4.17	-96.45
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000529598	0	33	-2.0	-94.82	314.40	5.23	-89.59
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)=C1	REAL300000529599	1	34	-2.0	-104.99	322.72	6.94	-98.05
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)=C1	REAL300000529601	1	37	-2.0	-105.84	342.01	7.79	-98.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)C=C1C	REAL300000529602	1	37	-2.0	-105.75	339.73	7.48	-98.27
CC1=C([N-]S(=O)(=O)C2=CC=CS2)C=C(Br)C=C1C(=O)[O-]	REAL300000529604	0	28	-2.0	-102.21	293.24	5.27	-96.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)C=C1	REAL300000529605	1	34	-2.0	-104.33	322.72	6.95	-97.38
CC1=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529606	1	31	-2.0	-101.08	307.72	6.34	-94.74
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529607	1	31	-2.0	-104.29	301.31	6.27	-98.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)S1	REAL300000529609	0	31	-2.0	-103.28	315.14	6.07	-97.21
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)C=C1	REAL300000529611	1	37	-2.0	-103.81	344.20	7.71	-96.10
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529612	1	31	-2.0	-97.28	307.72	6.34	-90.94
CC1=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C(Br)C=C1C(=O)[O-]	REAL300000529613	0	31	-2.0	-109.56	310.61	6.42	-103.14
CC1=C([N-]S(=O)(=O)C2=CN(C)N=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529614	0	31	-2.0	-101.22	305.86	3.97	-97.25
CC1=C([N-]S(=O)(=O)C2=CNN=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529616	0	28	-2.0	-98.62	282.90	2.66	-95.96
CC1=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529617	0	30	-2.0	-95.32	302.72	4.55	-90.77
CC1=C([N-]S(=O)(=O)C2=CN(C)C=N2)C=C(Br)C=C1C(=O)[O-]	REAL300000529618	0	31	-2.0	-111.39	305.33	5.37	-106.02
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529619	0	31	-2.0	-93.94	317.29	4.79	-89.15
CC1=NC(S(=O)(=O)[N-]C2=C(C)C(C(=O)[O-])=CC(Br)=C2)=CN1C	REAL300000529620	0	34	-2.0	-112.83	324.84	5.17	-107.66
CCN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)C=N1	REAL300000529621	0	34	-2.0	-101.36	327.40	4.83	-96.53
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000529622	0	31	-2.0	-100.55	305.49	3.40	-97.15
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000529623	1	34	-2.0	-104.04	316.80	7.05	-96.99
CC1=C([N-]S(=O)(=O)C2=NN(C)C=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529625	0	31	-2.0	-109.29	306.16	3.81	-105.48
CC1=C([N-]S(=O)(=O)C2=CC=NN2C)C=C(Br)C=C1C(=O)[O-]	REAL300000529626	0	31	-2.0	-96.26	301.55	3.90	-92.36
CC1=C([N-]S(=O)(=O)C2=CNC=N2)C=C(Br)C=C1C(=O)[O-]	REAL300000529631	0	28	-2.0	-110.79	286.41	3.74	-107.05
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)SC=C1	REAL300000529633	0	31	-2.0	-104.59	313.33	6.17	-98.42
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)=C1	REAL300000529641	1	37	-2.0	-105.20	344.21	7.70	-97.50
CC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)S1	REAL300000529644	0	30	-2.0	-101.16	313.63	4.18	-96.98
CC1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)=C(C)O1	REAL300000529649	0	34	-2.0	-101.77	324.27	5.85	-95.92
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)O1	REAL300000529650	0	31	-2.0	-103.15	305.91	5.09	-98.06
CC1=C([N-]S(=O)(=O)C2=CC=CO2)C=C(Br)C=C1C(=O)[O-]	REAL300000529652	0	28	-2.0	-102.06	284.00	4.26	-97.80
CC1=C([N-]S(=O)(=O)C2=CN=NN2C)C=C(Br)C=C1C(=O)[O-]	REAL300000529653	0	30	-2.0	-91.51	294.73	2.73	-88.78
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000529654	1	37	-2.0	-102.76	328.13	7.84	-94.92
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)C(N)=NO1	REAL300000529658	0	32	-2.0	-94.70	308.85	3.65	-91.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)C=N1	REAL300000529660	0	33	-2.0	-101.31	317.91	5.10	-96.21
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)N(C)N=C1	REAL300000529663	0	34	-2.0	-97.05	318.18	4.73	-92.32
CC1=C([N-]S(=O)(=O)C2=CC=C(C#N)O2)C=C(Br)C=C1C(=O)[O-]	REAL300000529664	0	29	-2.0	-95.84	305.26	4.81	-91.03
CC1=C([N-]S(=O)(=O)C2=CSC=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529665	0	28	-2.0	-100.33	292.42	5.18	-95.15
CC1=C([N-]S(=O)(=O)C2=COC=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529666	0	28	-2.0	-100.76	283.85	4.16	-96.60
CC1=CSC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)=C1	REAL300000529667	0	31	-2.0	-103.46	318.67	6.01	-97.45
CC1=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C(Br)C=C1C(=O)[O-]	REAL300000529668	0	28	-2.0	-101.04	303.40	3.17	-97.87
CC1=NSC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)=C1	REAL300000529669	0	30	-2.0	-96.72	309.81	4.57	-92.15
CC1=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C(Br)C=C1C(=O)[O-]	REAL300000529671	0	28	-2.0	-105.61	303.39	5.39	-100.22
CC1=C([N-]S(=O)(=O)C2=NC=CN2)C=C(Br)C=C1C(=O)[O-]	REAL300000529674	0	28	-2.0	-104.11	282.93	2.85	-101.26
CC1=C(S(=O)(=O)[N-]C2=C(C)C(C(=O)[O-])=CC(Br)=C2)C=NN1C	REAL300000529677	0	34	-2.0	-102.94	325.77	4.58	-98.36
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)C=C1	REAL300000529678	1	35	-2.0	-104.22	332.39	7.36	-96.86
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000529679	0	34	-2.0	-102.21	324.70	4.62	-97.59
CC1=C([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529680	0	31	-2.0	-94.99	317.14	4.88	-90.11
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000529685	0	30	-2.0	-95.83	302.05	4.30	-91.53
CC1=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C(Br)C=C1C(=O)[O-]	REAL300000529686	0	30	-2.0	-106.19	301.82	4.45	-101.74
CC1=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529688	0	30	-2.0	-94.38	302.72	4.42	-89.96
CC1=NC=C(S(=O)(=O)[N-]C2=C(C)C(C(=O)[O-])=CC(Br)=C2)N1C	REAL300000529691	0	34	-2.0	-102.64	324.47	5.33	-97.31
CC1=C([N-]S(=O)(=O)C2=CN=C(N)N=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529693	0	31	-2.0	-97.90	310.32	3.71	-94.19
CC1=C([N-]S(=O)(=O)C2=CC=NS2)C=C(Br)C=C1C(=O)[O-]	REAL300000529694	0	27	-2.0	-97.72	291.84	4.06	-93.66
CC1=C([N-]S(=O)(=O)C2=CN(C)N=N2)C=C(Br)C=C1C(=O)[O-]	REAL300000529695	0	30	-2.0	-105.40	300.11	2.59	-102.81
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000529696	0	33	-2.0	-91.98	316.55	3.61	-88.37
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)N=CN1	REAL300000529697	0	31	-2.0	-111.99	304.21	4.45	-107.54
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000529699	1	37	-2.0	-103.99	331.44	7.95	-96.04
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)=C1	REAL300000529700	0	34	-2.0	-97.05	323.49	4.49	-92.56
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)=C1C	REAL300000529701	1	37	-2.0	-105.84	337.60	7.66	-98.18
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)O1	REAL300000529703	0	34	-2.0	-103.09	327.40	5.87	-97.22
CCN1N=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)=N1	REAL300000529704	0	33	-2.0	-101.17	322.03	3.14	-98.03
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C(Br)C=C1C(=O)[O-]	REAL300000529705	0	28	-2.0	-97.36	301.06	4.88	-92.48
CC1=COC(S(=O)(=O)[N-]C2=CC(Br)=CC(C(=O)[O-])=C2C)=C1	REAL300000529706	0	31	-2.0	-102.36	305.90	4.94	-97.42
CC1=C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C=C(Br)C=C1C(=O)[O-]	REAL300000529707	0	29	-2.0	-103.89	309.26	4.80	-99.09
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529708	0	28	-2.0	-101.30	303.88	4.86	-96.44
CC1=C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529709	0	29	-2.0	-105.00	308.07	4.75	-100.25
CC1=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529710	1	32	-2.0	-104.59	312.33	3.42	-101.17
CC1=C([N-]S(=O)(=O)C2=CSN=C2)C=C(Br)C=C1C(=O)[O-]	REAL300000529711	0	27	-2.0	-94.76	286.96	3.87	-90.89
CC1=C([N-]S(=O)(=O)C2=CN=CS2)C=C(Br)C=C1C(=O)[O-]	REAL300000529712	0	27	-2.0	-98.92	287.90	3.39	-95.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=CC=C1F	REAL300000529713	1	31	-2.0	-99.72	313.05	4.20	-95.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1	REAL300000529714	1	31	-2.0	-90.00	308.50	4.18	-85.82
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1	REAL300000529715	1	31	-2.0	-101.87	308.51	4.17	-97.70
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCOC2=C1	REAL300000529716	0	35	-2.0	-107.20	336.65	3.97	-103.23
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1	REAL300000529717	1	35	-2.0	-89.88	339.97	5.47	-84.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000529718	1	34	-2.0	-102.93	324.52	4.71	-98.22
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1	REAL300000529719	0	31	-2.0	-97.87	321.58	4.75	-93.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=CC=C1Cl	REAL300000529720	1	31	-2.0	-97.95	321.03	4.57	-93.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1C	REAL300000529721	1	37	-2.0	-104.98	340.90	5.48	-99.50
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1	REAL300000529722	0	31	-2.0	-98.98	313.98	4.24	-94.74
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1	REAL300000529723	1	37	-2.0	-89.12	352.08	5.75	-83.37
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1	REAL300000529724	0	28	-2.0	-96.33	301.69	3.19	-93.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCOC2=C1	REAL300000529725	1	34	-2.0	-102.72	323.94	4.96	-97.76
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1	REAL300000529726	1	35	-2.0	-88.61	339.59	4.45	-84.16
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000529727	0	32	-2.0	-100.05	315.15	3.52	-96.53
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1	REAL300000529729	0	31	-2.0	-92.64	317.63	3.86	-88.78
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000529730	1	37	-2.0	-104.19	339.97	5.49	-98.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=CS1	REAL300000529731	0	28	-2.0	-97.52	300.15	3.21	-94.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000529732	1	35	-2.0	-107.76	335.79	4.24	-103.52
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCOC2=C1	REAL300000529733	1	40	-2.0	-105.20	362.40	6.17	-99.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCOC2=C1	REAL300000529734	1	37	-2.0	-101.86	338.65	5.90	-95.96
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCOC2=C1	REAL300000529735	0	38	-2.0	-107.12	358.94	4.73	-102.39
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(Cl)=C3OCOC3=C2)=CC(C(=O)[O-])=C1	REAL300000529736	0	34	-2.0	-107.82	343.63	4.59	-103.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=CC(C(=O)[O-])=C1	REAL300000529736	1	33	-3.0	-175.31	336.92	4.74	-170.57
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1	REAL300000529737	1	38	-2.0	-106.53	352.77	6.07	-100.46
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C(C(=O)[O-])O1	REAL300000529738	0	31	-2.0	-96.45	311.51	3.31	-93.14
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1	REAL300000529739	0	35	-2.0	-102.68	337.49	3.26	-99.42
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCOC2=C1	REAL300000529741	1	34	-2.0	-93.94	329.22	4.99	-88.95
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000529742	1	38	-2.0	-107.97	357.64	5.15	-102.82
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C(C(=O)[O-])S1	REAL300000529743	0	31	-2.0	-99.78	317.11	4.06	-95.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C(Cl)=C1	REAL300000529744	0	31	-2.0	-87.79	321.56	4.73	-83.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1F	REAL300000529745	1	31	-2.0	-89.64	313.03	4.21	-85.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)S1	REAL300000529746	0	28	-2.0	-91.48	300.78	3.29	-88.19
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1	REAL300000529747	1	31	-2.0	-92.68	314.91	4.24	-88.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1F	REAL300000529748	0	34	-2.0	-100.31	334.26	4.88	-95.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C(F)=C1	REAL300000529749	0	31	-2.0	-89.16	313.97	4.24	-84.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1Cl	REAL300000529750	1	31	-2.0	-87.60	321.01	4.58	-83.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=CC(F)=C1F	REAL300000529751	1	31	-2.0	-91.54	319.33	4.27	-87.27
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1	REAL300000529752	0	32	-2.0	-102.11	318.22	1.89	-100.22
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(Cl)=C3OCOC3=C2)=C1	REAL300000529752	1	32	-2.0	-102.37	307.24	2.76	-99.61
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1	REAL300000529753	1	34	-2.0	-93.87	330.69	4.95	-88.92
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCOC2=C1	REAL300000529754	1	34	-2.0	-97.81	318.58	4.81	-93.00
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=CC(C(=O)[O-])=C1F	REAL300000529755	1	34	-2.0	-100.56	333.36	4.82	-95.74
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=CC(C(=O)[O-])=C1C	REAL300000529757	1	37	-2.0	-104.64	341.39	5.24	-99.40
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1	REAL300000529758	0	31	-2.0	-90.87	320.26	4.30	-86.57
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000529760	0	34	-2.0	-100.00	329.98	4.77	-95.23
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1	REAL300000529761	0	34	-2.0	-105.90	333.54	4.87	-101.03
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000529762	1	37	-2.0	-103.56	342.75	5.36	-98.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1CC(=O)[O-]	REAL300000529763	1	38	-2.0	-103.72	358.97	4.31	-99.41
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000529764	0	35	-2.0	-101.56	336.52	4.38	-97.18
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=CC=C1C(=O)[O-]	REAL300000529765	1	34	-2.0	-90.09	324.51	4.72	-85.37
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCOC2=C1	REAL300000529766	1	34	-2.0	-100.78	328.04	5.01	-95.77
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1F	REAL300000529767	0	31	-2.0	-105.72	312.17	4.21	-101.51
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300000529768	1	34	-2.0	-94.65	333.45	4.85	-89.80
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C1	REAL300000529769	0	30	-2.0	-99.07	304.73	2.30	-96.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCOC2=C1	REAL300000529770	0	35	-2.0	-93.99	336.71	3.97	-90.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)=C(Cl)O1	REAL300000529771	0	28	-2.0	-90.19	308.65	3.15	-87.04
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(Cl)=C4OCOC4=C3)C=C2)CC1	REAL300000529772	1	38	-2.0	-96.40	354.65	6.06	-90.34
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(Cl)=C4OCOC4=C3)C=C2C1	REAL300000529773	1	38	-2.0	-99.22	353.94	6.06	-93.16
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCOC3=C2)C=C(C(=O)[O-])O1	REAL300000529774	0	34	-2.0	-96.43	330.64	4.16	-92.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1Br	REAL300000529776	0	28	-2.0	-112.87	290.15	5.77	-107.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1Br	REAL300000529777	0	27	-2.0	-96.46	293.50	4.12	-92.34
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529778	1	29	-2.0	-102.95	302.49	5.87	-97.08
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=C1	REAL300000529779	1	29	-2.0	-98.69	302.46	5.87	-92.82
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529781	0	30	-2.0	-95.91	294.83	4.45	-91.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1Br	REAL300000529782	1	28	-2.0	-96.41	294.36	5.60	-90.81
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529783	1	31	-2.0	-106.51	303.05	6.15	-100.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1Br	REAL300000529785	1	28	-2.0	-102.53	298.37	6.00	-96.53
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=C1	REAL300000529786	1	33	-2.0	-103.98	324.38	5.98	-98.00
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529787	1	34	-2.0	-105.95	318.53	6.93	-99.02
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529789	1	33	-2.0	-115.42	322.91	5.88	-109.54
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1Br	REAL300000529792	0	25	-2.0	-98.35	290.63	5.10	-93.25
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529794	0	32	-2.0	-111.85	309.87	5.29	-106.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1Br	REAL300000529795	0	28	-2.0	-106.30	294.78	6.05	-100.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1Br	REAL300000529796	0	25	-2.0	-103.11	273.56	4.49	-98.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1Br	REAL300000529799	0	28	-2.0	-100.82	293.54	5.62	-95.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1Br	REAL300000529800	1	28	-2.0	-102.70	288.05	5.55	-97.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1Br	REAL300000529801	1	28	-2.0	-96.73	294.46	5.62	-91.11
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1Br	REAL300000529803	1	28	-2.0	-98.77	298.36	6.01	-92.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1Br	REAL300000529804	1	28	-2.0	-106.00	281.64	5.48	-100.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)S1	REAL300000529805	0	28	-2.0	-104.78	295.46	5.28	-99.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1Br	REAL300000529806	0	28	-2.0	-104.14	293.54	5.62	-98.52
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529807	0	34	-2.0	-103.35	319.24	4.57	-98.78
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=C1	REAL300000529808	1	32	-2.0	-104.43	316.13	2.27	-102.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1Br	REAL300000529811	0	28	-2.0	-109.03	287.12	5.55	-103.48
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1Cl	REAL300000529813	0	28	-2.0	-111.11	299.10	5.06	-106.05
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000529814	0	28	-2.0	-102.70	286.19	3.20	-99.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=C1F	REAL300000529815	1	31	-2.0	-102.86	308.36	6.19	-96.67
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529816	0	31	-2.0	-109.26	308.55	6.22	-103.04
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529817	1	31	-2.0	-102.17	303.52	6.33	-95.84
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529818	0	32	-2.0	-107.80	312.82	3.85	-103.95
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529818	1	32	-2.0	-93.08	311.95	4.70	-88.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1Br	REAL300000529819	0	25	-2.0	-100.20	263.23	1.88	-98.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1Br	REAL300000529820	0	31	-2.0	-125.48	309.84	4.69	-120.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1Br	REAL300000529821	0	27	-2.0	-96.72	283.07	3.76	-92.96
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529822	0	28	-2.0	-112.78	285.81	4.59	-108.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1Br	REAL300000529823	0	28	-2.0	-106.71	293.42	5.62	-101.09
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=CN1C	REAL300000529824	0	31	-2.0	-114.17	305.17	4.39	-109.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000529825	0	31	-2.0	-102.78	307.73	4.06	-98.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1Br	REAL300000529826	1	33	-2.0	-104.07	317.61	4.78	-99.29
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529827	0	28	-2.0	-100.25	282.05	2.54	-97.71
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529828	1	32	-2.0	-107.53	311.15	4.78	-102.75
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529829	1	31	-2.0	-105.25	297.12	6.27	-98.98
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=N1	REAL300000529830	0	28	-2.0	-109.86	286.48	3.03	-106.83
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529831	0	28	-2.0	-96.79	281.87	3.13	-93.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C(F)=C1	REAL300000529835	0	31	-2.0	-108.61	308.54	6.23	-102.38
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1Br	REAL300000529837	0	25	-2.0	-111.03	263.10	2.88	-108.15
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)SC=C1	REAL300000529839	0	28	-2.0	-105.55	292.39	5.12	-100.43
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529840	1	32	-2.0	-102.31	317.90	6.67	-95.64
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529841	1	32	-2.0	-98.25	317.88	6.66	-91.59
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C(F)=C1	REAL300000529842	0	29	-2.0	-100.58	307.93	5.95	-94.63
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000529843	0	34	-2.0	-102.68	326.41	4.57	-98.11
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=CN1	REAL300000529844	0	34	-2.0	-110.56	325.43	3.95	-106.61
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529847	1	31	-2.0	-101.35	302.44	6.30	-95.05
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)S1	REAL300000529848	0	30	-2.0	-102.07	308.14	3.99	-98.08
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=C1	REAL300000529849	1	32	-2.0	-110.52	323.88	6.67	-103.85
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529850	1	34	-2.0	-106.78	324.53	6.91	-99.87
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529851	1	31	-2.0	-102.44	309.46	6.22	-96.22
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)SC=C1	REAL300000529852	0	29	-2.0	-113.54	303.81	3.77	-109.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1Br	REAL300000529853	0	31	-2.0	-106.03	311.40	5.88	-100.15
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529854	0	28	-2.0	-94.86	297.66	4.40	-90.46
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)N=C1Cl	REAL300000529855	0	28	-2.0	-107.33	301.82	4.32	-103.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1Br	REAL300000529856	0	29	-2.0	-109.12	297.47	4.24	-104.88
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)S1	REAL300000529857	0	27	-2.0	-100.73	290.16	3.32	-97.41
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529859	0	34	-2.0	-111.91	327.24	5.88	-106.03
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529861	0	34	-2.0	-112.02	329.12	6.25	-105.77
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1F	REAL300000529862	0	31	-2.0	-109.97	307.43	6.20	-103.77
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C(C)O1	REAL300000529864	0	31	-2.0	-102.84	304.61	5.07	-97.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)O1	REAL300000529865	0	28	-2.0	-103.70	286.23	4.31	-99.39
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529866	0	31	-2.0	-105.72	315.29	5.90	-99.82
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1Br	REAL300000529867	0	27	-2.0	-96.98	293.41	4.18	-92.80
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)N=C1C	REAL300000529868	0	34	-2.0	-114.02	327.19	5.30	-108.72
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)S1	REAL300000529869	0	30	-2.0	-100.37	311.65	4.07	-96.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1Br	REAL300000529870	0	31	-2.0	-113.13	309.56	5.81	-107.32
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529872	1	37	-2.0	-107.95	335.64	7.49	-100.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1Br	REAL300000529873	0	25	-2.0	-103.50	264.32	3.47	-100.03
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529874	0	27	-2.0	-92.50	275.06	1.94	-90.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1Br	REAL300000529875	0	32	-2.0	-106.72	309.63	4.92	-101.80
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529876	1	34	-2.0	-104.36	311.86	7.21	-97.15
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529878	0	31	-2.0	-110.25	301.24	6.45	-103.80
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529879	0	31	-2.0	-102.11	306.24	2.95	-99.16
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529880	1	32	-2.0	-108.68	314.48	6.76	-101.92
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529881	1	32	-2.0	-111.27	323.89	6.65	-104.62
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C(N)=NO1	REAL300000529882	0	29	-2.0	-95.56	288.08	2.88	-92.68
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)S1	REAL300000529884	0	26	-2.0	-96.79	294.14	5.03	-91.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000529885	0	30	-2.0	-102.70	298.24	4.32	-98.38
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=CC=C1C#N	REAL300000529886	1	32	-2.0	-98.46	321.61	6.37	-92.09
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)N(C)N=C1	REAL300000529889	0	31	-2.0	-97.62	298.51	3.96	-93.66
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)O1	REAL300000529890	0	26	-2.0	-96.63	285.56	4.04	-92.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1Br	REAL300000529891	0	25	-2.0	-102.02	272.75	4.40	-97.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1Br	REAL300000529892	0	25	-2.0	-102.35	264.18	3.37	-98.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000529893	1	31	-2.0	-99.00	308.82	2.17	-96.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1Br	REAL300000529894	0	25	-2.0	-103.91	289.61	4.95	-98.96
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529895	0	28	-2.0	-103.16	295.20	5.15	-98.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1Br	REAL300000529896	0	25	-2.0	-100.49	279.93	2.30	-98.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1Br	REAL300000529897	0	27	-2.0	-99.52	288.56	3.60	-95.92
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529898	0	27	-2.0	-97.32	290.13	3.79	-93.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1Br	REAL300000529901	0	25	-2.0	-106.24	279.91	4.54	-101.70
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=C1F	REAL300000529902	1	29	-2.0	-95.86	308.36	5.92	-89.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1Br	REAL300000529905	0	25	-2.0	-105.44	263.27	2.07	-103.37
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)S1	REAL300000529906	0	31	-2.0	-106.74	314.25	5.94	-100.80
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=NN1C	REAL300000529907	0	31	-2.0	-103.25	302.30	3.73	-99.52
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=C1	REAL300000529908	1	32	-2.0	-105.04	312.71	6.58	-98.46
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529909	0	31	-2.0	-103.48	305.03	3.84	-99.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1Br	REAL300000529910	1	33	-2.0	-107.94	317.45	5.33	-102.61
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1Br	REAL300000529911	0	33	-2.0	-114.26	317.94	5.33	-108.93
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529916	0	27	-2.0	-95.47	280.39	3.41	-92.06
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1Br	REAL300000529917	0	27	-2.0	-107.15	282.12	3.67	-103.48
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1Br	REAL300000529919	0	27	-2.0	-95.89	283.04	3.64	-92.25
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529925	1	29	-2.0	-96.97	308.88	5.94	-91.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1Br	REAL300000529926	0	30	-2.0	-115.81	304.80	4.68	-111.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1Br	REAL300000529926	1	30	-2.0	-103.01	304.90	4.54	-98.47
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1Br	REAL300000529927	0	32	-2.0	-111.55	315.37	5.46	-106.09
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1Br	REAL300000529928	0	29	-2.0	-88.42	297.03	4.03	-84.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1Br	REAL300000529928	1	29	-2.0	-103.54	297.82	3.25	-100.29
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529929	0	34	-2.0	-103.03	324.48	4.65	-98.38
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000529930	0	28	-2.0	-98.11	286.86	2.84	-95.27
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529931	0	28	-2.0	-94.55	300.88	1.29	-93.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1Br	REAL300000529932	0	24	-2.0	-97.12	268.37	3.19	-93.93
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529933	1	37	-2.0	-105.14	333.35	8.00	-97.14
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1F	REAL300000529934	0	29	-2.0	-106.96	307.45	5.91	-101.05
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529935	1	31	-2.0	-101.58	304.69	6.19	-95.39
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1Br	REAL300000529936	0	25	-2.0	-102.26	287.06	4.93	-97.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1Br	REAL300000529937	1	29	-2.0	-94.87	296.53	4.26	-90.61
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1Br	REAL300000529938	0	31	-2.0	-106.46	311.40	5.78	-100.68
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=CN=C1N	REAL300000529939	1	32	-2.0	-104.77	309.67	3.19	-101.58
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529940	0	28	-2.0	-101.90	298.93	1.37	-100.53
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)N=CN1	REAL300000529941	0	28	-2.0	-112.55	282.01	3.51	-109.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1Br	REAL300000529943	0	25	-2.0	-101.84	287.47	5.03	-96.81
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529944	1	37	-2.0	-106.90	346.03	7.69	-99.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1Br	REAL300000529946	1	31	-2.0	-104.34	309.62	6.31	-98.03
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529947	0	31	-2.0	-97.49	303.81	3.71	-93.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1Br	REAL300000529950	1	35	-2.0	-106.73	330.88	7.59	-99.14
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=CS1	REAL300000529951	0	29	-2.0	-108.29	303.87	3.94	-104.35
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)O1	REAL300000529952	0	31	-2.0	-104.37	307.73	5.09	-99.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)S1	REAL300000529953	0	29	-2.0	-102.01	305.44	3.93	-98.08
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1Br	REAL300000529954	0	31	-2.0	-100.53	314.31	4.18	-96.35
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1Br	REAL300000529955	1	31	-2.0	-107.30	303.27	6.41	-100.89
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1Br	REAL300000529956	0	31	-2.0	-106.81	307.14	5.90	-100.91
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=N1	REAL300000529957	0	30	-2.0	-102.38	302.35	2.35	-100.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1Br	REAL300000529958	0	25	-2.0	-97.94	281.38	4.11	-93.83
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529959	0	28	-2.0	-102.98	286.22	4.17	-98.81
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1Cl	REAL300000529960	0	28	-2.0	-99.79	301.49	3.56	-96.23
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)OC=C1	REAL300000529961	0	26	-2.0	-105.57	283.49	3.95	-101.62
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1Br	REAL300000529962	0	25	-2.0	-101.02	280.40	4.00	-97.02
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1Br	REAL300000529963	0	25	-2.0	-98.43	290.44	5.00	-93.43
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1Br	REAL300000529964	1	35	-2.0	-108.91	325.19	7.66	-101.25
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)C=CO1	REAL300000529966	0	26	-2.0	-104.78	284.60	3.89	-100.89
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)SC=C1	REAL300000529967	0	26	-2.0	-108.25	293.70	4.83	-103.42
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000529968	0	34	-2.0	-98.13	323.35	4.77	-93.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1Br	REAL300000529971	1	29	-2.0	-105.93	292.66	2.63	-103.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1Br	REAL300000529972	0	24	-2.0	-95.50	267.28	3.10	-92.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1Br	REAL300000529973	0	24	-2.0	-100.27	268.22	2.60	-97.67
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300000529974	0	31	-2.0	-109.26	308.55	6.22	-103.04
COC1=CC=C2C(=C1)N(S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)CC2C	REAL300000529998	0	42	-2.0	-116.12	371.47	7.43	-108.69
COC1=CC=C2C(=C1)N(S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])CC2C	REAL300000530018	0	40	-2.0	-117.73	344.70	5.53	-112.20
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530049	0	42	-2.0	-108.85	372.66	5.54	-103.31
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(OCC)=C1	REAL300000530050	0	42	-2.0	-98.73	368.10	5.52	-93.21
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530051	0	42	-2.0	-111.56	368.13	5.51	-106.05
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(OCC)=C1	REAL300000530052	0	46	-2.0	-116.84	396.27	5.31	-111.53
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(OCC)=C1	REAL300000530053	0	46	-2.0	-97.93	399.57	6.80	-91.13
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530054	0	45	-2.0	-112.83	384.15	6.03	-106.80
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(OCC)=C1	REAL300000530055	0	42	-2.0	-106.78	381.19	6.08	-100.70
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530056	0	42	-2.0	-107.26	380.63	5.90	-101.36
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(OCC)=C1	REAL300000530057	0	48	-2.0	-113.88	401.23	6.83	-107.05
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(OCC)=C1	REAL300000530058	0	42	-2.0	-108.67	373.60	5.57	-103.10
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(OCC)=C1	REAL300000530059	0	48	-2.0	-97.33	411.69	7.09	-90.24
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(OCC)=C1	REAL300000530060	0	39	-2.0	-105.75	361.31	4.52	-101.23
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(OCC)=C1	REAL300000530061	0	45	-2.0	-112.00	383.56	6.28	-105.72
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(OCC)=C1	REAL300000530062	1	46	-2.0	-96.70	399.19	5.78	-90.92
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530063	0	43	-2.0	-109.84	374.78	4.85	-104.99
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(OCC)=C1	REAL300000530064	1	46	-2.0	-112.15	392.33	4.31	-107.84
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(OCC)=C1	REAL300000530065	0	42	-2.0	-101.72	377.26	5.18	-96.54
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(OCC)=C1	REAL300000530066	1	48	-2.0	-113.27	399.58	6.82	-106.45
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530067	0	39	-2.0	-107.06	359.78	4.54	-102.52
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530068	1	46	-2.0	-117.43	395.40	5.57	-111.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C(OCC)=C1	REAL300000530069	0	48	-2.0	-109.87	398.26	7.23	-102.64
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530070	0	42	-2.0	-104.89	371.13	4.64	-100.25
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(OCC)=C1	REAL300000530071	0	46	-2.0	-112.49	397.09	4.60	-107.89
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(OCC)=C1	REAL300000530072	0	45	-2.0	-102.55	388.84	6.31	-96.24
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530073	0	42	-2.0	-108.35	376.75	5.40	-102.95
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(OCC)=C1	REAL300000530074	0	42	-2.0	-96.19	381.18	6.07	-90.12
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(OCC)=C1	REAL300000530075	0	42	-2.0	-98.11	372.64	5.55	-92.56
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(OCC)=C1	REAL300000530076	0	39	-2.0	-100.52	360.38	4.64	-95.88
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530077	0	42	-2.0	-102.30	374.54	5.56	-96.74
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(OCC)=C1	REAL300000530078	0	45	-2.0	-110.17	393.87	6.20	-103.97
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(OCC)=C1	REAL300000530079	0	42	-2.0	-98.36	373.59	5.58	-92.78
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(OCC)=C1	REAL300000530080	0	42	-2.0	-96.28	380.61	5.91	-90.37
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(OCC)=C1	REAL300000530081	0	43	-2.0	-110.61	377.84	3.19	-107.42
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(OCC)=C1	REAL300000530082	0	45	-2.0	-102.13	390.29	6.28	-95.85
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(OCC)=C1	REAL300000530083	0	45	-2.0	-107.85	378.17	6.12	-101.73
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530084	0	45	-2.0	-110.23	392.96	6.16	-104.07
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(OCC)=C1	REAL300000530085	1	45	-2.0	-98.79	383.54	6.26	-92.53
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530086	0	48	-2.0	-114.84	401.00	6.57	-108.27
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(OCC)=C1	REAL300000530087	1	48	-2.0	-112.01	402.61	6.89	-105.12
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(OCC)=C1	REAL300000530088	0	45	-2.0	-109.90	389.60	6.11	-103.79
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(OCC)=C1	REAL300000530089	0	45	-2.0	-116.87	393.16	6.20	-110.67
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530090	0	48	-2.0	-113.50	402.09	6.68	-106.82
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530091	0	46	-2.0	-111.22	396.15	5.72	-105.50
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(OCC)=C1	REAL300000530092	0	45	-2.0	-100.45	388.18	6.15	-94.30
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(OCC)=C1	REAL300000530093	0	45	-2.0	-109.12	388.08	6.31	-102.81
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(OCC)=C1	REAL300000530094	0	42	-2.0	-116.03	371.79	5.53	-110.50
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530095	0	45	-2.0	-103.19	389.29	6.08	-97.11
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(OCC)=C1	REAL300000530096	0	41	-2.0	-109.39	364.34	3.62	-105.77
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(OCC)=C1	REAL300000530097	0	46	-2.0	-103.06	396.33	5.30	-97.76
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530098	0	39	-2.0	-98.96	368.23	4.47	-94.49
CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C(OCC)=C1	REAL300000530099	0	45	-2.0	-104.57	390.25	5.48	-99.09
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3=CN=CC=N3)C=C2)=C1	REAL300000530103	0	37	-2.0	-103.54	357.68	3.71	-99.83
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=CN=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300000530105	1	41	-2.0	-107.69	371.15	4.05	-103.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=CN=CC=N3)C=C2)=CS1	REAL300000530106	1	37	-2.0	-105.00	356.15	3.73	-101.27
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=CN=CC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000530107	0	40	-2.0	-103.47	367.50	3.83	-99.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=CN=CC=N3)C=C2)S1	REAL300000530108	0	37	-2.0	-98.55	356.77	3.82	-94.73
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCC3=CN=CC=N3)C=C2)=C1	REAL300000530113	0	39	-2.0	-106.87	360.71	2.81	-104.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)=CC=C1F	REAL300000530114	0	40	-2.0	-114.68	374.05	3.73	-110.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)C=C1	REAL300000530115	0	40	-2.0	-104.27	369.46	3.75	-100.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)=C1	REAL300000530116	0	40	-2.0	-116.99	369.51	3.70	-113.29
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)C=C1C(=O)[O-]	REAL300000530117	0	43	-2.0	-119.24	389.58	4.34	-114.90
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)=C1	REAL300000530118	0	40	-2.0	-114.48	374.99	3.76	-110.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)=C1	REAL300000530119	0	37	-2.0	-111.19	362.70	2.73	-108.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCN2CCOC2=O)N=C1	REAL300000530120	0	43	-2.0	-119.02	384.94	4.49	-114.53
CN1C=C(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)C=C1C(=O)[O-]	REAL300000530121	0	41	-2.0	-115.36	376.12	3.10	-112.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)=CS1	REAL300000530122	0	37	-2.0	-112.62	361.13	2.77	-109.85
CC1=C(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)C=C(C(=O)[O-])O1	REAL300000530123	0	40	-2.0	-111.80	372.52	2.85	-108.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)C=C1F	REAL300000530124	0	40	-2.0	-103.94	374.00	3.78	-100.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)S1	REAL300000530125	0	37	-2.0	-105.53	361.78	2.83	-102.70
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)=C1	REAL300000530126	0	40	-2.0	-107.86	375.89	3.80	-104.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)C(F)=C1	REAL300000530127	0	40	-2.0	-103.12	374.94	3.82	-99.30
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)=C1	REAL300000530128	0	41	-2.0	-118.24	379.23	1.43	-116.81
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)C=C1	REAL300000530129	0	43	-2.0	-108.19	391.65	4.51	-103.68
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CCN2CCOC2=O)N=C1	REAL300000530130	0	43	-2.0	-111.05	379.58	4.33	-106.72
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CCN2CCOC2=O)N=C1	REAL300000530131	0	43	-2.0	-104.82	384.92	4.48	-100.34
CCN1C=C(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)C=C1C(=O)[O-]	REAL300000530132	0	44	-2.0	-116.63	397.50	3.97	-112.66
CC1=CC(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)=CC=C1C(=O)[O-]	REAL300000530133	0	43	-2.0	-104.18	385.51	4.23	-99.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)=C1F	REAL300000530134	0	40	-2.0	-118.24	373.14	3.77	-114.47
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)=C1	REAL300000530135	0	39	-2.0	-114.16	365.73	1.83	-112.33
CCC1=C(S(=O)(=O)[N-]C2=CN(CCN3CCOC3=O)N=C2)C=C(C(=O)[O-])O1	REAL300000530136	0	43	-2.0	-111.93	391.64	3.70	-108.23
CC1=CC(OC2=CC=NC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000530140	0	38	-2.0	-101.13	364.02	5.94	-95.19
CC1=CC(OC2=CC=NC=C2)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000530142	1	42	-2.0	-105.19	377.47	6.27	-98.92
CC1=CC(OC2=CC=NC=C2)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000530143	1	38	-2.0	-102.54	362.48	5.96	-96.58
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=NC=C3)C=C2C)C=C(C(=O)[O-])O1	REAL300000530144	0	41	-2.0	-101.17	372.15	6.00	-95.17
CC1=CC(OC2=CC=NC=C2)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000530145	0	38	-2.0	-93.84	361.58	5.99	-87.85
CC1=CC(OC2=CC=NC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000530150	0	40	-2.0	-104.43	367.04	5.04	-99.39
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000530151	0	37	-2.0	-105.42	349.18	6.60	-98.82
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000530152	0	37	-2.0	-95.72	344.64	6.58	-89.14
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000530153	0	37	-2.0	-107.85	344.65	6.57	-101.28
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000530154	0	41	-2.0	-111.88	372.79	6.37	-105.51
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000530155	0	41	-2.0	-94.57	376.11	7.86	-86.71
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000530156	0	40	-2.0	-108.98	360.66	7.10	-101.88
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000530157	0	43	-2.0	-109.08	377.74	7.91	-101.17
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000530158	0	37	-2.0	-104.19	350.12	6.63	-97.56
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000530159	0	43	-2.0	-93.62	388.22	8.16	-85.46
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000530160	0	34	-2.0	-102.25	337.84	5.58	-96.67
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000530161	0	40	-2.0	-107.16	360.08	7.35	-99.81
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000530162	0	41	-2.0	-93.37	375.73	6.85	-86.52
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000530163	0	38	-2.0	-106.41	351.29	5.91	-100.50
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000530164	0	41	-2.0	-107.73	368.43	5.40	-102.33
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000530165	0	37	-2.0	-98.65	353.76	6.25	-92.40
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000530166	0	43	-2.0	-108.43	376.10	7.89	-100.54
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000530167	0	34	-2.0	-103.69	336.29	5.61	-98.08
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000530168	0	41	-2.0	-113.85	371.92	6.64	-107.21
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(F)C=C1C(=O)OC	REAL300000530169	0	43	-2.0	-104.21	370.31	8.11	-96.10
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000530170	0	37	-2.0	-101.12	347.65	5.70	-95.42
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000530171	0	41	-2.0	-109.12	373.63	5.66	-103.46
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000530172	0	40	-2.0	-98.31	365.36	7.39	-90.92
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000530173	0	37	-2.0	-103.77	354.34	6.45	-97.32
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000530174	0	37	-2.0	-95.28	349.16	6.61	-88.67
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000530175	0	34	-2.0	-97.41	336.90	5.70	-91.71
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000530176	0	37	-2.0	-98.94	351.05	6.64	-92.30
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000530177	0	40	-2.0	-105.77	370.38	7.27	-98.50
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000530178	0	37	-2.0	-95.33	350.10	6.64	-88.69
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000530179	0	38	-2.0	-105.27	354.36	4.28	-100.99
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000530180	0	40	-2.0	-98.29	366.83	7.35	-90.94
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000530181	0	40	-2.0	-105.08	354.68	7.21	-97.87
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000530182	0	40	-2.0	-106.93	369.48	7.22	-99.71
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000530183	0	40	-2.0	-95.47	360.05	7.35	-88.12
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000530184	0	43	-2.0	-110.99	378.11	7.65	-103.34
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000530185	0	43	-2.0	-109.68	378.18	7.97	-101.71
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000530186	0	40	-2.0	-105.38	366.12	7.17	-98.21
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000530187	0	40	-2.0	-114.14	369.69	7.26	-106.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=C(F)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000530188	0	43	-2.0	-109.83	378.58	7.76	-102.07
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=C(F)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000530189	0	41	-2.0	-107.71	372.59	6.77	-100.94
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000530190	0	40	-2.0	-95.83	360.65	7.11	-88.72
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000530191	0	40	-2.0	-104.93	364.18	7.41	-97.52
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000530192	0	37	-2.0	-113.27	348.27	6.59	-106.68
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000530193	0	40	-2.0	-99.77	365.81	7.14	-92.63
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000530194	0	36	-2.0	-103.48	341.62	4.62	-98.86
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000530195	0	41	-2.0	-99.59	372.84	6.36	-93.23
COC(=O)C1=CC(F)=C(C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000530196	0	34	-2.0	-95.58	344.75	5.54	-90.04
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=C(F)C=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000530197	0	40	-2.0	-100.06	363.04	6.45	-93.61
CC1(CO)CC2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1	REAL300000530228	0	43	-2.0	-113.07	355.98	4.05	-109.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCCOC3=C2)C=C1	REAL300000530248	1	37	-2.0	-92.83	344.57	5.49	-87.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCCOC3=C2)=C1	REAL300000530249	1	37	-2.0	-104.31	344.56	5.48	-98.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCCOC3=C2)C=C1C(=O)[O-]	REAL300000530250	1	40	-2.0	-106.56	360.60	6.02	-100.54
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCCOC3=C2)=C1	REAL300000530251	0	34	-2.0	-98.85	337.75	4.50	-94.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCCCOC2=C1	REAL300000530252	1	40	-2.0	-105.53	360.00	6.26	-99.27
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCCOC3=C2)C=C1C(=O)[O-]	REAL300000530253	0	38	-2.0	-102.94	351.23	4.83	-98.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCCOC3=C2)=CS1	REAL300000530254	0	34	-2.0	-100.21	336.21	4.51	-95.70
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCCOC3=C2)C=C(C(=O)[O-])O1	REAL300000530255	0	37	-2.0	-98.81	347.59	4.63	-94.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCCOC3=C2)S1	REAL300000530256	0	34	-2.0	-94.51	336.83	4.61	-89.90
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCCOC3=C2)=C1	REAL300000530257	0	38	-2.0	-104.66	354.30	3.19	-101.47
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(Cl)=C3OCCCOC3=C2)=C1	REAL300000530257	1	38	-2.0	-105.94	343.31	4.07	-101.87
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCCOC3=C2)C=C1	REAL300000530258	1	40	-2.0	-96.25	366.73	6.27	-89.98
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C2OCCCOC2=C1	REAL300000530259	1	40	-2.0	-101.63	354.63	6.12	-95.51
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCCOC3=C2)=CC=C1C(=O)[O-]	REAL300000530261	1	40	-2.0	-92.96	360.59	6.02	-86.94
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=C3OCCCOC3=C2)=C1	REAL300000530262	0	36	-2.0	-102.02	340.80	3.60	-98.42
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2F)=C1	REAL300000530272	1	39	-2.0	-102.66	360.39	6.94	-95.72
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2F)=C1	REAL300000530274	1	36	-2.0	-100.32	348.12	5.90	-94.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2F)=C1	REAL300000530279	1	39	-2.0	-96.54	364.04	6.56	-89.98
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2F)C=C(C(=O)[O-])O1	REAL300000530284	1	39	-2.0	-99.49	357.93	6.03	-93.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2F)S1	REAL300000530290	1	36	-2.0	-95.41	347.19	6.01	-89.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2F)=C1F	REAL300000530292	1	42	-2.0	-104.04	380.68	7.58	-96.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2F)C(F)=C1	REAL300000530293	1	39	-2.0	-93.28	360.37	6.96	-86.32
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(OCC3CC3)C=C2F)=C1	REAL300000530295	0	40	-2.0	-105.69	359.20	5.47	-100.22
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2F)C=C1C(=O)[O-]	REAL300000530302	1	42	-2.0	-104.95	380.24	7.58	-97.37
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2F)=C1	REAL300000530303	1	42	-2.0	-111.65	379.97	7.58	-104.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2F)=C1F	REAL300000530308	1	39	-2.0	-110.92	358.56	6.91	-104.01
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2F)=C1	REAL300000530310	0	38	-2.0	-103.67	351.14	5.00	-98.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2F)=C(Cl)O1	REAL300000530312	1	36	-2.0	-97.34	350.61	5.95	-91.39
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3CC3)C=C2F)C=C(C(=O)[O-])O1	REAL300000530313	1	42	-2.0	-99.32	377.04	6.87	-92.45
COC(=O)C1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300000530314	1	39	-2.0	-96.06	356.91	5.95	-90.11
COC(=O)C1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000530315	1	39	-2.0	-108.45	356.93	5.94	-102.51
COC(=O)C1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000530316	0	36	-2.0	-102.76	350.12	4.97	-97.79
COC(=O)C1=NC=CC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000530317	0	40	-2.0	-106.68	363.58	5.30	-101.38
COC(=O)C1=NC=CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000530318	0	36	-2.0	-104.17	348.58	4.99	-99.18
COC(=O)C1=NC=CC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C21	REAL300000530319	0	39	-2.0	-102.70	359.94	5.10	-97.60
COC(=O)C1=NC=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000530320	0	36	-2.0	-97.75	349.20	5.07	-92.68
COC(=O)C1=NC=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000530321	0	38	-2.0	-106.05	353.15	4.08	-101.97
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000530322	0	37	-2.0	-101.56	344.81	6.98	-94.58
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000530323	0	37	-2.0	-95.15	340.25	6.96	-88.19
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000530324	0	37	-2.0	-110.61	340.27	6.95	-103.66
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000530325	0	41	-2.0	-113.82	368.41	6.71	-107.11
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000530326	0	41	-2.0	-93.85	371.54	8.25	-85.60
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000530327	0	40	-2.0	-105.22	355.94	7.49	-97.73
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000530328	0	43	-2.0	-104.31	364.88	8.06	-96.25
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000530329	0	37	-2.0	-101.13	341.24	6.92	-94.21
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000530330	0	43	-2.0	-93.00	383.84	8.54	-84.46
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000530331	0	34	-2.0	-99.79	332.94	5.99	-93.80
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000530332	0	40	-2.0	-102.26	347.96	7.55	-94.71
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000530333	0	41	-2.0	-92.26	371.16	7.23	-85.03
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000530334	0	38	-2.0	-108.51	346.91	6.30	-102.21
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000530335	1	41	-2.0	-102.57	356.65	5.58	-96.99
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000530336	0	37	-2.0	-97.03	349.37	6.64	-90.39
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000530337	0	43	-2.0	-111.37	368.20	8.20	-103.17
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000530338	0	34	-2.0	-100.32	331.72	5.99	-94.33
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000530339	0	41	-2.0	-116.76	367.56	7.02	-109.74
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(F)C=C1C(=O)OC	REAL300000530340	0	43	-2.0	-108.17	368.20	8.61	-99.56
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000530341	0	37	-2.0	-97.58	338.31	6.01	-91.57
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000530342	0	41	-2.0	-109.27	363.16	6.56	-102.71
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000530343	0	40	-2.0	-101.15	358.89	7.66	-93.49
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000530344	0	37	-2.0	-99.58	340.63	6.67	-92.91
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000530345	0	37	-2.0	-94.16	344.80	6.99	-87.17
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000530346	0	34	-2.0	-97.78	332.03	6.10	-91.68
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000530347	0	37	-2.0	-101.11	346.68	7.02	-94.09
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000530348	0	40	-2.0	-107.28	366.04	7.65	-99.63
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000530349	0	37	-2.0	-93.91	345.73	7.02	-86.89
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000530350	0	38	-2.0	-107.95	349.98	4.62	-103.33
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000530351	0	40	-2.0	-97.32	362.26	7.73	-89.59
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000530352	0	40	-2.0	-104.95	342.07	7.39	-97.56
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000530353	0	40	-2.0	-103.17	365.09	7.60	-95.57
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000530354	0	40	-2.0	-93.21	347.92	7.52	-85.69
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000530355	0	43	-2.0	-114.73	377.36	8.16	-106.57
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000530356	0	43	-2.0	-109.36	366.97	8.14	-101.22
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000530357	0	40	-2.0	-107.76	364.94	7.66	-100.10
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000530358	0	40	-2.0	-114.65	360.86	7.58	-107.07
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=C(F)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000530359	0	43	-2.0	-105.86	374.69	8.16	-97.70
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=C(F)C=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000530360	0	41	-2.0	-109.89	368.28	7.17	-102.72
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000530361	0	40	-2.0	-95.58	356.30	7.50	-88.08
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000530362	0	40	-2.0	-99.97	352.43	7.57	-92.40
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000530363	0	37	-2.0	-108.77	343.93	6.98	-101.79
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000530364	0	40	-2.0	-103.26	365.28	7.65	-95.61
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000530365	0	36	-2.0	-104.33	337.25	5.01	-99.32
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000530366	0	41	-2.0	-98.87	367.95	6.72	-92.15
COC(=O)C1=CC(F)=CC(C)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000530367	0	34	-2.0	-93.61	333.83	5.77	-87.84
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=C(F)C=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000530368	0	40	-2.0	-97.19	361.10	6.82	-90.37
COCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530369	1	35	-2.0	-103.04	338.43	5.41	-97.63
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300000530370	1	35	-2.0	-93.17	333.88	5.39	-87.78
COCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530371	1	35	-2.0	-105.52	333.89	5.38	-100.14
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1Cl	REAL300000530372	0	39	-2.0	-110.77	362.03	5.18	-105.59
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000530373	1	39	-2.0	-92.77	365.35	6.68	-86.09
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530374	1	38	-2.0	-108.08	353.96	6.03	-102.05
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1Cl	REAL300000530375	0	35	-2.0	-100.95	346.96	5.96	-94.99
COCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530376	1	35	-2.0	-101.41	346.41	5.78	-95.63
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1Cl	REAL300000530377	1	41	-2.0	-108.08	366.28	6.69	-101.39
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1Cl	REAL300000530378	0	35	-2.0	-102.62	339.36	5.45	-97.17
COCC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300000530379	1	41	-2.0	-91.92	377.45	6.97	-84.95
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300000530380	0	32	-2.0	-99.83	327.07	4.40	-95.43
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1Cl	REAL300000530381	1	38	-2.0	-106.15	349.32	6.17	-99.98
COCC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530383	0	36	-2.0	-103.98	340.53	4.73	-99.25
COCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000530385	0	35	-2.0	-95.99	343.00	5.07	-90.92
COCC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530387	0	32	-2.0	-101.28	325.54	4.42	-96.86
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1Cl	REAL300000530389	1	44	-2.0	-108.35	387.79	7.39	-100.96
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C(COC)=C1	REAL300000530390	1	41	-2.0	-104.50	364.04	7.10	-97.40
COCC1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=CC=C1Cl	REAL300000530391	0	42	-2.0	-111.62	384.32	5.95	-105.67
COCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530392	0	38	-2.0	-107.68	364.75	5.95	-101.73
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530392	1	37	-3.0	-180.77	362.29	5.95	-174.82
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1Cl	REAL300000530393	1	42	-2.0	-110.34	378.14	7.28	-103.06
COCC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530394	0	35	-2.0	-99.36	336.90	4.52	-94.84
COCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1Cl	REAL300000530395	0	39	-2.0	-106.68	362.87	4.48	-102.20
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1Cl	REAL300000530397	1	38	-2.0	-96.83	354.60	6.21	-90.62
COCC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530399	1	35	-2.0	-102.68	342.49	5.27	-97.41
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1Cl	REAL300000530400	0	35	-2.0	-90.83	346.94	5.95	-84.88
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1Cl	REAL300000530401	1	35	-2.0	-92.70	338.40	5.42	-87.28
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300000530402	0	32	-2.0	-94.83	326.16	4.51	-90.32
COCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530403	1	35	-2.0	-96.42	340.29	5.45	-90.97
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1Cl	REAL300000530404	0	38	-2.0	-104.02	359.65	6.09	-97.93
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1Cl	REAL300000530405	0	35	-2.0	-92.64	339.34	5.46	-87.18
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1Cl	REAL300000530406	1	35	-2.0	-90.76	346.38	5.79	-84.97
COCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530407	1	35	-2.0	-94.62	344.71	5.48	-89.14
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1Cl	REAL300000530408	0	36	-2.0	-104.98	343.60	3.09	-101.89
COCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1Cl	REAL300000530408	1	36	-2.0	-102.17	332.61	3.99	-98.18
COCC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Cl	REAL300000530409	1	38	-2.0	-96.53	356.05	6.17	-90.36
COCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300000530410	1	38	-2.0	-102.01	343.96	6.02	-95.99
COCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530411	1	38	-2.0	-104.42	358.72	6.04	-98.38
COCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530413	1	41	-2.0	-110.01	370.69	6.55	-103.46
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1Cl	REAL300000530414	0	35	-2.0	-94.31	345.64	5.51	-88.80
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1Cl	REAL300000530416	0	38	-2.0	-103.73	355.36	5.98	-97.75
COCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000530417	0	38	-2.0	-110.69	358.90	6.08	-104.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(COC)=C2)C=C1C(=O)[O-]	REAL300000530418	1	41	-2.0	-107.40	368.12	6.57	-100.83
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(COC)=C2)C=C1C(=O)[O-]	REAL300000530420	0	39	-2.0	-105.26	361.91	5.60	-99.66
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Cl	REAL300000530421	1	38	-2.0	-93.32	349.89	5.93	-87.39
COCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1Cl	REAL300000530423	0	35	-2.0	-109.87	337.50	5.41	-104.46
COCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530424	1	38	-2.0	-98.27	358.83	6.06	-92.21
COCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Cl	REAL300000530425	0	34	-2.0	-103.21	330.11	3.52	-99.69
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1Cl	REAL300000530426	0	39	-2.0	-97.37	362.09	5.18	-92.19
COCC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1Cl	REAL300000530427	0	32	-2.0	-93.31	334.04	4.36	-88.95
COCC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1Cl	REAL300000530428	1	42	-2.0	-99.64	380.01	7.27	-92.37
COCC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1Cl	REAL300000530429	1	42	-2.0	-103.48	379.33	7.27	-96.21
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C(COC)=C2)C=C(C(=O)[O-])O1	REAL300000530430	0	38	-2.0	-99.10	356.02	5.37	-93.73
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300000530431	0	39	-2.0	-89.73	362.46	2.72	-87.01
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000530432	0	32	-2.0	-105.64	310.53	4.17	-101.47
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=N1	REAL300000530433	0	40	-2.0	-107.17	365.63	5.23	-101.94
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C=N1	REAL300000530434	0	32	-2.0	-103.68	322.43	4.84	-98.84
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000530435	0	32	-2.0	-95.93	305.99	4.14	-91.79
C=CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000530436	0	32	-2.0	-108.14	306.00	4.13	-104.01
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300000530437	0	36	-2.0	-114.03	334.15	3.94	-110.09
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C=N1	REAL300000530438	0	32	-2.0	-103.57	322.24	4.63	-98.94
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000530439	0	36	-2.0	-95.65	337.46	5.43	-90.22
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000530440	0	35	-2.0	-109.46	322.02	4.66	-104.80
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300000530441	0	32	-2.0	-104.30	319.08	4.70	-99.60
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000530442	0	32	-2.0	-104.01	318.51	4.53	-99.48
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=N1	REAL300000530443	0	32	-2.0	-99.91	331.58	5.07	-94.84
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=N1	REAL300000530444	0	38	-2.0	-111.57	338.40	5.45	-106.12
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000530445	0	32	-2.0	-105.69	311.48	4.19	-101.50
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300000530446	0	38	-2.0	-94.98	349.57	5.72	-89.26
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000530447	0	29	-2.0	-102.23	299.19	3.16	-99.07
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300000530448	0	35	-2.0	-109.64	321.44	4.92	-104.72
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300000530449	0	36	-2.0	-94.33	337.07	4.41	-89.92
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C=N1	REAL300000530450	0	43	-2.0	-90.94	382.84	5.20	-85.74
C=CCN1C=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C=N1	REAL300000530451	0	29	-2.0	-99.52	316.19	3.92	-95.60
C=CCN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300000530452	0	33	-2.0	-106.62	312.64	3.49	-103.13
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=N1	REAL300000530453	0	36	-2.0	-110.07	330.21	2.95	-107.12
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=N1	REAL300000530454	0	32	-2.0	-98.70	315.12	3.81	-94.89
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=N1	REAL300000530455	0	38	-2.0	-110.81	337.46	5.45	-105.36
C=CCN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000530456	0	29	-2.0	-103.65	297.65	3.17	-100.48
C=CCN1C=C([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000530457	0	40	-2.0	-108.75	364.33	3.95	-104.80
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300000530458	0	36	-2.0	-113.96	333.29	4.21	-109.75
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300000530459	0	42	-2.0	-113.50	361.26	6.76	-106.74
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=N1	REAL300000530460	0	41	-2.0	-111.79	359.90	6.14	-105.65
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=N1	REAL300000530461	0	38	-2.0	-108.13	336.16	5.84	-102.29
C=CCN1C=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=N1	REAL300000530462	0	39	-2.0	-113.92	356.43	4.71	-109.21
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000530463	0	34	-3.0	-182.23	334.42	4.70	-177.53
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000530464	0	39	-2.0	-113.76	350.24	6.03	-107.73
C=CCN1C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=N1	REAL300000530465	0	32	-2.0	-102.58	309.02	3.28	-99.30
C=CCN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000530466	0	38	-2.0	-112.95	348.16	3.92	-109.03
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=N1	REAL300000530467	0	36	-2.0	-109.29	334.99	3.23	-106.06
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000530468	0	40	-2.0	-95.72	359.64	4.75	-90.97
C=CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000530469	0	32	-2.0	-98.00	333.68	4.99	-93.01
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000530470	0	32	-2.0	-101.08	323.60	4.71	-96.37
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000530471	0	36	-2.0	-92.85	353.10	4.95	-87.90
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=N1	REAL300000530472	0	39	-2.0	-94.79	357.15	5.12	-89.67
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=N1	REAL300000530473	0	42	-2.0	-93.70	385.75	5.38	-88.32
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=N1	REAL300000530474	0	35	-2.0	-100.17	326.71	4.95	-95.22
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)C=N1	REAL300000530475	0	45	-2.0	-94.95	399.60	6.05	-88.90
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000530476	0	36	-2.0	-93.81	343.30	4.48	-89.33
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000530477	0	42	-2.0	-93.40	395.56	5.87	-87.53
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)C=N1	REAL300000530478	0	39	-2.0	-114.83	355.13	5.11	-109.72
C=CCN1C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=N1	REAL300000530479	0	32	-2.0	-106.02	314.61	4.03	-101.99
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000530480	0	32	-2.0	-98.01	334.23	5.16	-92.85
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000530481	0	32	-2.0	-93.57	319.05	4.70	-88.87
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=N1	REAL300000530482	0	32	-2.0	-93.12	322.40	4.83	-88.29
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000530483	0	32	-2.0	-95.43	310.53	4.18	-91.25
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000530484	0	29	-2.0	-97.37	298.27	3.26	-94.11
C=CCN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000530485	0	32	-2.0	-99.08	312.41	4.20	-94.88
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=N1	REAL300000530486	0	35	-2.0	-107.06	331.76	4.83	-102.23
C=CCN1C=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000530487	0	36	-2.0	-98.23	346.31	4.76	-93.47
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000530488	0	32	-2.0	-95.16	311.46	4.21	-90.95
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000530489	0	32	-2.0	-93.52	318.50	4.53	-88.99
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=N1	REAL300000530490	0	35	-2.0	-101.87	335.44	5.34	-96.53
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000530491	0	40	-2.0	-92.52	369.74	5.54	-86.98
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000530492	0	32	-2.0	-93.08	322.23	4.63	-88.45
C=CCN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000530493	0	32	-2.0	-97.47	316.83	4.23	-93.24
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000530494	0	34	-2.0	-93.24	334.19	4.81	-88.43
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000530495	0	33	-2.0	-108.80	315.72	1.85	-106.95
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000530496	0	35	-2.0	-99.67	328.17	4.91	-94.76
C=CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000530497	0	32	-2.0	-99.00	326.71	4.67	-94.33
C=CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000530498	0	35	-2.0	-104.13	316.08	4.76	-99.37
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000530499	0	35	-2.0	-107.07	330.83	4.79	-102.28
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000530500	0	35	-2.0	-96.29	321.42	4.91	-91.38
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000530501	0	38	-2.0	-112.69	342.80	5.30	-107.39
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000530502	0	34	-2.0	-106.46	332.58	5.23	-101.23
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000530503	0	32	-2.0	-97.25	317.76	4.25	-93.00
C=CCN1C=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=N1	REAL300000530504	0	29	-2.0	-95.14	318.58	3.82	-91.32
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000530505	0	38	-2.0	-108.30	340.48	5.51	-102.79
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=N1	REAL300000530506	0	35	-2.0	-106.74	327.49	4.74	-102.00
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=N1	REAL300000530507	0	35	-2.0	-106.07	337.77	5.27	-100.80
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=N1	REAL300000530508	0	35	-2.0	-112.47	331.02	4.83	-107.64
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=N1	REAL300000530509	0	38	-2.0	-110.18	339.97	5.31	-104.87
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=N1	REAL300000530510	0	39	-2.0	-109.97	356.48	4.26	-105.71
C=CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=N1	REAL300000530511	0	35	-2.0	-97.43	332.80	5.27	-92.16
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000530512	0	35	-2.0	-92.59	336.12	4.93	-87.66
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000530513	0	35	-2.0	-105.80	337.22	5.10	-100.70
C=CCN1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000530514	0	32	-2.0	-100.90	327.30	4.75	-96.15
C=CCN1C=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=N1	REAL300000530515	0	36	-2.0	-107.89	334.02	4.36	-103.53
C=CCN1C=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=N1	REAL300000530516	0	44	-2.0	-108.09	371.15	7.01	-101.08
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000530517	0	32	-2.0	-96.06	331.59	4.69	-91.37
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=N1	REAL300000530518	0	36	-2.0	-94.93	350.70	4.43	-90.50
C=CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000530519	0	35	-2.0	-102.81	339.75	5.20	-97.61
C=CCN1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300000530520	0	41	-2.0	-105.82	355.48	6.26	-99.56
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=N1	REAL300000530521	0	36	-2.0	-109.89	346.33	4.78	-105.11
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000530522	0	35	-2.0	-96.06	322.01	4.67	-91.39
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000530523	0	37	-2.0	-100.28	349.27	6.33	-93.95
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=N1	REAL300000530524	0	35	-2.0	-107.05	325.96	4.93	-102.12
C=CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000530525	0	34	-2.0	-114.79	329.74	5.99	-108.80
C=CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000530526	0	32	-2.0	-111.72	309.66	4.16	-107.56
C=CCN1C=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000530527	0	35	-2.0	-100.98	330.94	4.81	-96.17
C=CCN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000530528	0	38	-2.0	-116.47	347.04	6.26	-110.21
C=CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000530529	0	31	-2.0	-105.72	302.22	2.26	-103.46
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=N1	REAL300000530530	0	36	-2.0	-100.21	334.20	3.94	-96.27
C=CCN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000530531	0	29	-2.0	-96.11	306.16	3.10	-93.01
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000530532	0	36	-2.0	-103.38	349.79	4.69	-98.69
C=CCN1C=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=N1	REAL300000530533	0	35	-2.0	-99.25	349.35	1.17	-98.08
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000530534	0	39	-2.0	-102.67	352.13	6.02	-96.65
C=CCN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000530535	0	39	-2.0	-105.20	351.44	6.02	-99.18
C=CCN1C=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=N1	REAL300000530536	0	35	-2.0	-102.58	328.14	4.13	-98.45
CC1=CC(OCC2=CC=CC=N2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000530539	0	43	-2.0	-108.11	385.84	5.47	-102.64
COC1=CC=C(C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000530540	0	41	-2.0	-113.74	366.54	6.24	-107.50
COC1=CC=C(C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000530541	0	41	-2.0	-127.89	366.54	6.24	-121.65
COC1=CC=C(C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000530542	0	44	-2.0	-129.18	382.56	6.77	-122.41
COC1=CC=C(C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000530543	0	38	-2.0	-121.50	359.73	5.26	-116.24
COC1=CC=C(C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000530544	0	44	-2.0	-128.75	381.98	7.02	-121.73
COC1=CC=C(C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000530545	0	42	-2.0	-125.82	373.18	5.58	-120.24
COC1=CC=C(C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000530546	0	38	-2.0	-122.98	358.19	5.26	-117.72
COC1=CC=C(C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000530547	0	41	-2.0	-120.80	369.55	5.37	-115.43
COC1=CC=C(C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000530548	0	38	-2.0	-115.86	358.79	5.36	-110.50
COC1=CC=C(C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000530549	0	44	-2.0	-118.09	388.72	7.00	-111.09
COC1=CC=C(C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000530550	0	44	-2.0	-123.11	376.58	6.87	-116.24
COC1=CC=C(C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000530551	0	44	-2.0	-113.55	381.96	7.01	-106.54
COC1=CC=C(C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000530552	0	44	-2.0	-114.12	382.55	6.77	-107.35
COC1=CC=C(C2=CC=CC=N2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000530553	0	40	-2.0	-125.96	362.69	4.35	-121.61
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=NN1CC(N)=O	REAL300000530554	0	42	-2.0	-109.93	387.83	-0.09	-110.02
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530555	0	35	-2.0	-128.22	335.90	1.35	-126.87
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C(C)=C1	REAL300000530556	0	43	-2.0	-127.58	390.99	2.42	-125.16
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1CC(N)=O	REAL300000530557	0	35	-2.0	-116.57	330.50	1.31	-115.26
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530558	0	35	-2.0	-131.42	330.52	1.30	-130.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C(C)=C1	REAL300000530559	0	39	-2.0	-134.77	359.51	1.13	-133.64
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1CC(N)=O	REAL300000530560	0	39	-2.0	-116.21	362.82	2.62	-113.59
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530561	0	38	-2.0	-131.24	351.44	1.97	-129.27
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NN1CC(N)=O	REAL300000530562	0	35	-2.0	-124.33	344.44	1.88	-122.45
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530563	0	35	-2.0	-126.79	343.88	1.71	-125.08
CC1=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530564	0	41	-2.0	-131.21	364.48	2.64	-128.57
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1CC(N)=O	REAL300000530565	0	35	-2.0	-126.63	336.85	1.38	-125.25
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1CC(N)=O	REAL300000530566	0	41	-2.0	-115.41	374.93	2.91	-112.50
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1CC(N)=O	REAL300000530567	0	32	-2.0	-122.77	324.55	0.35	-122.42
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1CC(N)=O	REAL300000530568	0	38	-2.0	-129.31	346.80	2.09	-127.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NN1CC(N)=O	REAL300000530569	0	39	-2.0	-114.70	362.44	1.61	-113.09
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530570	0	36	-2.0	-129.33	337.17	0.65	-128.68
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NN1CC(N)=O	REAL300000530571	0	39	-2.0	-129.59	355.58	0.13	-129.46
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1CC(N)=O	REAL300000530572	0	35	-2.0	-119.98	340.49	1.01	-118.97
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530573	0	41	-2.0	-130.70	362.82	2.63	-128.07
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530574	0	32	-2.0	-126.26	323.02	0.35	-125.91
COC1=CC(S(=O)(=O)[N-]C2=NN(CC(N)=O)C(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000530575	0	43	-2.0	-128.79	389.68	1.13	-127.66
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000530576	0	39	-2.0	-137.21	358.65	1.39	-135.82
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=NN1CC(N)=O	REAL300000530577	0	45	-2.0	-133.70	386.61	3.95	-129.75
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=NN1CC(N)=O	REAL300000530578	0	44	-2.0	-131.83	385.27	3.32	-128.51
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C(C)=C1	REAL300000530579	0	41	-2.0	-127.44	361.52	3.04	-124.40
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C(C)=C1	REAL300000530580	0	42	-2.0	-135.76	381.80	1.89	-133.87
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530581	0	37	-3.0	-206.09	359.78	1.89	-204.20
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=NN1CC(N)=O	REAL300000530582	0	42	-2.0	-133.98	375.62	3.21	-130.77
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530583	0	35	-2.0	-122.00	334.38	0.47	-121.53
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530584	0	41	-2.0	-133.62	373.54	1.09	-132.53
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=NN1CC(N)=O	REAL300000530585	0	39	-2.0	-132.03	360.35	0.41	-131.62
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=NN1CC(N)=O	REAL300000530586	0	43	-2.0	-115.66	385.01	1.94	-113.72
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=NN1CC(N)=O	REAL300000530587	0	35	-2.0	-120.58	348.97	1.89	-118.69
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=NN1CC(N)=O	REAL300000530588	0	42	-2.0	-115.30	381.67	2.29	-113.01
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NN1CC(N)=O	REAL300000530589	0	38	-2.0	-119.62	352.08	2.13	-117.49
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=NN1CC(N)=O	REAL300000530590	0	39	-2.0	-113.99	368.67	1.67	-112.32
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000530591	0	42	-2.0	-135.12	380.51	2.30	-132.82
CC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530592	0	35	-2.0	-125.64	340.00	1.21	-124.43
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NN1CC(N)=O	REAL300000530593	0	35	-2.0	-113.96	344.42	1.87	-112.09
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1CC(N)=O	REAL300000530594	0	35	-2.0	-115.79	335.89	1.36	-114.43
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1CC(N)=O	REAL300000530595	0	32	-2.0	-118.61	323.62	0.45	-118.16
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530596	0	35	-2.0	-121.33	337.78	1.39	-119.94
CC1=CC([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530597	0	38	-2.0	-128.11	357.13	2.03	-126.08
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1CC(N)=O	REAL300000530598	0	35	-2.0	-116.39	336.84	1.39	-115.00
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1CC(N)=O	REAL300000530599	0	35	-2.0	-113.98	343.86	1.72	-112.26
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=NN1CC(N)=O	REAL300000530600	0	38	-2.0	-121.37	360.81	2.51	-118.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=NN1CC(N)=O	REAL300000530601	0	43	-2.0	-112.67	395.10	2.73	-109.94
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530602	0	35	-2.0	-117.02	342.19	1.41	-115.61
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=NN1CC(N)=O	REAL300000530603	0	37	-2.0	-113.34	359.56	1.99	-111.35
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1CC(N)=O	REAL300000530604	0	36	-2.0	-128.47	341.09	-0.95	-129.42
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1CC(N)=O	REAL300000530605	0	38	-2.0	-120.48	353.54	2.11	-118.37
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530606	0	35	-2.0	-118.55	352.08	1.85	-116.70
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1CC(N)=O	REAL300000530607	0	38	-2.0	-125.07	340.59	1.93	-123.14
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)=NN1CC(N)=O	REAL300000530608	0	38	-2.0	-127.02	356.21	1.97	-125.05
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1CC(N)=O	REAL300000530609	0	38	-2.0	-116.83	345.93	2.07	-114.76
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=NN1CC(N)=O	REAL300000530610	0	41	-2.0	-135.98	368.17	2.49	-133.49
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530611	0	37	-2.0	-128.43	357.93	2.41	-126.02
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NN1CC(N)=O	REAL300000530612	0	35	-2.0	-118.05	343.11	1.45	-116.60
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1CC(N)=O	REAL300000530613	0	41	-2.0	-131.01	365.85	2.70	-128.31
CC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530614	0	38	-2.0	-127.83	352.84	1.92	-125.91
CC1=CC([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530615	0	38	-2.0	-126.19	363.13	2.45	-123.74
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=NN1CC(N)=O	REAL300000530616	0	38	-2.0	-136.38	356.40	2.01	-134.37
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000530617	0	41	-2.0	-130.80	364.81	2.49	-128.31
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C(C)=C2)C=C1CC(=O)[O-]	REAL300000530618	0	42	-2.0	-132.31	381.84	1.45	-130.86
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=NN1CC(N)=O	REAL300000530619	0	38	-2.0	-119.45	358.16	2.46	-116.99
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)=NN1CC(N)=O	REAL300000530620	0	38	-2.0	-126.03	362.59	2.28	-123.75
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000530621	0	39	-2.0	-128.47	359.40	1.54	-126.93
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=NN1CC(N)=O	REAL300000530622	0	47	-2.0	-128.20	396.28	4.17	-124.03
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530623	0	38	-2.0	-122.06	361.23	2.29	-119.77
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1CC(N)=O	REAL300000530624	0	38	-2.0	-118.05	351.43	1.97	-116.08
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=NN1CC(N)=O	REAL300000530625	0	40	-2.0	-122.95	374.64	3.51	-119.44
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NN1CC(N)=O	REAL300000530626	0	38	-2.0	-126.22	351.33	2.13	-124.09
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=NN1CC(N)=O	REAL300000530627	0	37	-2.0	-138.96	355.10	3.18	-135.78
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1CC(N)=O	REAL300000530628	0	35	-2.0	-132.94	334.18	1.34	-131.60
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530629	0	38	-2.0	-120.27	352.53	1.89	-118.38
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530630	0	41	-2.0	-137.18	371.56	3.42	-133.76
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1CC(N)=O	REAL300000530631	0	34	-2.0	-126.96	327.59	-0.55	-127.51
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(N)=O)C(C)=C1	REAL300000530632	0	39	-2.0	-121.07	359.57	1.13	-119.94
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1CC(N)=O	REAL300000530633	0	32	-2.0	-116.06	331.48	0.29	-115.77
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=NN1CC(N)=O	REAL300000530634	0	42	-2.0	-122.73	377.50	3.21	-119.52
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=NN1CC(N)=O	REAL300000530635	0	42	-2.0	-127.06	376.81	3.21	-123.85
CCC1=C(S(=O)(=O)[N-]C2=NN(CC(N)=O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000530636	0	38	-2.0	-121.76	353.49	1.32	-120.44
CC1=CC(OCC2=CC=CN=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000530639	0	43	-2.0	-106.32	387.91	5.37	-100.95
CC1=CC(OCC2=CC=NC=C2)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000530642	0	43	-2.0	-104.90	387.96	5.39	-99.51
COC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000530643	0	41	-2.0	-104.15	364.23	6.03	-98.12
COC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000530644	0	41	-2.0	-117.50	364.23	6.02	-111.48
COC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000530645	0	44	-2.0	-118.84	380.25	6.56	-112.28
COC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000530646	0	38	-2.0	-111.52	357.42	5.05	-106.47
COC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000530647	0	44	-2.0	-118.21	379.67	6.81	-111.40
COC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000530648	0	42	-2.0	-115.58	370.88	5.37	-110.21
COC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000530649	0	38	-2.0	-112.85	355.88	5.06	-107.79
COC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000530650	0	41	-2.0	-110.85	367.24	5.16	-105.69
COC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000530651	0	38	-2.0	-106.11	356.50	5.14	-100.97
COC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000530652	0	44	-2.0	-108.13	386.42	6.80	-101.33
COC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000530653	0	44	-2.0	-113.12	374.27	6.65	-106.47
COC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000530654	0	44	-2.0	-104.07	379.65	6.79	-97.28
COC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000530655	0	44	-2.0	-104.42	380.24	6.57	-97.85
COC1=CC=C(C2=CC=NC=C2)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000530656	0	40	-2.0	-115.07	361.22	4.09	-110.98
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000530657	0	37	-2.0	-112.81	361.37	1.13	-111.68
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300000530658	0	37	-2.0	-102.52	356.83	1.10	-101.42
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300000530659	0	37	-2.0	-115.05	356.84	1.10	-113.95
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300000530660	0	41	-2.0	-102.20	388.29	2.41	-99.79
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CCS(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300000530661	0	40	-2.0	-115.09	372.85	1.63	-113.46
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300000530662	0	37	-2.0	-112.18	362.32	1.15	-111.03
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300000530663	0	34	-2.0	-109.40	350.02	0.13	-109.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CCS(C)(=O)=O)N=C1	REAL300000530664	0	40	-2.0	-116.37	372.27	1.89	-114.48
CN1C=C(S(=O)(=O)[N-]C2=CN(CCS(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300000530665	0	38	-2.0	-113.54	363.48	0.46	-113.08
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CCS(C)(=O)=O)N=C2)=C1	REAL300000530666	0	37	-2.0	-105.04	365.95	0.78	-104.26
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300000530667	0	34	-2.0	-110.76	348.49	0.14	-110.62
CC1=C(S(=O)(=O)[N-]C2=CN(CCS(C)(=O)=O)N=C2)C=C(C(=O)[O-])O1	REAL300000530668	0	37	-2.0	-109.39	359.84	0.25	-109.14
CC1=C(S(=O)(=O)[N-]C2=CN(CCS(C)(=O)=O)N=C2)C=C(C(=O)[O-])S1	REAL300000530669	0	37	-2.0	-112.63	366.53	0.99	-111.64
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000530670	0	37	-2.0	-102.21	361.36	1.14	-101.07
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000530671	0	34	-2.0	-103.94	349.10	0.23	-103.71
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000530672	0	37	-2.0	-105.98	363.24	1.17	-104.81
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000530673	0	37	-2.0	-101.62	362.30	1.16	-100.46
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000530674	0	38	-2.0	-115.28	366.55	-1.18	-116.46
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000530675	0	40	-2.0	-106.27	379.02	1.89	-104.38
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CCS(C)(=O)=O)N=C1	REAL300000530676	0	40	-2.0	-110.15	366.89	1.73	-108.42
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CCS(C)(=O)=O)N=C1	REAL300000530677	0	40	-2.0	-102.96	372.25	1.87	-101.09
CCN1C=C(S(=O)(=O)[N-]C2=CN(CCS(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300000530678	0	41	-2.0	-114.82	384.86	1.33	-113.49
CC1=CC(S(=O)(=O)[N-]C2=CN(CCS(C)(=O)=O)N=C2)=CC=C1C(=O)[O-]	REAL300000530679	0	40	-2.0	-102.61	372.85	1.64	-100.97
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000530680	0	37	-2.0	-117.62	360.49	1.13	-116.49
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000530681	0	36	-2.0	-112.05	353.82	-0.83	-112.88
CS(=O)(=O)CCN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000530682	0	34	-2.0	-103.02	356.98	0.09	-102.93
CCC1=C(S(=O)(=O)[N-]C2=CN(CCS(C)(=O)=O)N=C2)C=C(C(=O)[O-])O1	REAL300000530683	0	40	-2.0	-109.32	378.97	1.10	-108.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)=CC=C1F	REAL300000530684	0	33	-2.0	-99.98	319.87	4.18	-95.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)C=C1	REAL300000530685	0	33	-2.0	-89.48	315.30	4.17	-85.31
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)=C1	REAL300000530686	0	33	-2.0	-100.10	315.33	4.15	-95.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)C=C1C(=O)[O-]	REAL300000530687	0	36	-2.0	-103.24	331.34	4.68	-98.56
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)=C1	REAL300000530688	0	33	-2.0	-97.30	320.79	4.21	-93.09
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)=C1	REAL300000530689	0	30	-2.0	-95.15	308.51	3.20	-91.95
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(OC(F)(F)F)=CC=C1O	REAL300000530690	0	36	-2.0	-100.61	330.76	4.89	-95.72
CN1C=C(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)C=C1C(=O)[O-]	REAL300000530691	0	34	-2.0	-98.91	321.97	3.54	-95.37
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)=C1	REAL300000530692	0	33	-2.0	-92.60	324.43	3.86	-88.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)=CS1	REAL300000530693	0	30	-2.0	-97.98	306.99	3.20	-94.78
CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000530694	0	33	-2.0	-94.91	318.33	3.29	-91.62
CC1=C(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)C=C(C(=O)[O-])S1	REAL300000530695	0	33	-2.0	-97.44	325.02	4.04	-93.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)C=C1F	REAL300000530696	0	33	-2.0	-89.42	319.85	4.20	-85.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)S1	REAL300000530697	0	30	-2.0	-91.33	307.59	3.31	-88.02
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)=C1	REAL300000530698	0	33	-2.0	-93.18	321.74	4.22	-88.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)C(F)=C1	REAL300000530699	0	33	-2.0	-88.49	320.79	4.23	-84.26
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)=C1	REAL300000530700	0	34	-2.0	-99.63	325.03	1.75	-97.88
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)C=C1	REAL300000530701	0	36	-2.0	-92.35	337.51	4.92	-87.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)(F)F)=CC=C1O	REAL300000530702	0	36	-2.0	-98.55	325.36	4.76	-93.79
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(OC(F)(F)F)=CC=C1O	REAL300000530703	0	36	-2.0	-89.67	330.74	4.88	-84.79
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)C=C1C(=O)[O-]	REAL300000530704	0	37	-2.0	-100.16	343.27	4.39	-95.77
CC1=CC(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000530705	0	36	-2.0	-89.53	331.33	4.69	-84.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)=C1F	REAL300000530706	0	33	-2.0	-106.56	318.96	4.17	-102.39
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)=C1	REAL300000530707	0	32	-2.0	-99.41	311.53	2.30	-97.11
CCC1=C(S(=O)(=O)[N-]C2=CC(OC(F)(F)F)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000530708	0	36	-2.0	-94.79	337.44	4.14	-90.65
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C1	REAL300000530709	1	43	-2.0	-89.85	375.87	3.69	-86.16
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOCC2=C1	REAL300000530711	0	44	-2.0	-107.38	379.03	6.19	-101.19
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530713	1	36	-2.0	-108.78	319.42	5.10	-103.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOCC2=C1	REAL300000530714	0	40	-2.0	-114.47	347.55	4.90	-109.57
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C1	REAL300000530715	1	40	-2.0	-95.94	350.86	6.40	-89.54
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530717	0	36	-2.0	-104.39	332.48	5.68	-98.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=CC=C1Cl	REAL300000530718	1	36	-2.0	-104.96	331.92	5.50	-99.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1C	REAL300000530719	1	42	-2.0	-111.90	352.09	6.45	-105.45
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530720	0	36	-2.0	-106.21	324.89	5.17	-101.04
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C1	REAL300000530721	1	42	-2.0	-95.14	362.98	6.69	-88.45
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530722	0	33	-2.0	-102.95	312.60	4.12	-98.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOCC2=C1	REAL300000530723	1	39	-2.0	-109.65	334.84	5.89	-103.76
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000530725	1	37	-2.0	-107.16	326.06	4.45	-102.71
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530727	0	36	-2.0	-99.26	328.53	4.78	-94.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=CS1	REAL300000530729	0	33	-2.0	-104.71	310.99	4.13	-100.58
COC1=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000530730	1	44	-2.0	-109.51	377.73	4.91	-104.60
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530732	1	46	-2.0	-113.68	374.65	7.73	-105.95
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOCC2=C1	REAL300000530733	1	45	-2.0	-112.02	373.31	7.11	-104.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOCC2=C1	REAL300000530734	1	42	-2.0	-107.96	349.48	6.81	-101.15
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOCC2=C1	REAL300000530735	0	43	-2.0	-114.43	369.84	5.67	-108.76
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3CCOCC3=C2)=C1	REAL300000530736	0	39	-2.0	-107.99	354.23	5.53	-102.46
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530736	1	38	-3.0	-184.20	347.82	5.67	-178.53
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530737	1	43	-2.0	-113.99	363.58	6.99	-107.00
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C(C(=O)[O-])O1	REAL300000530738	0	36	-2.0	-102.51	322.35	4.23	-98.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=CC2=C1OCCO2	REAL300000530739	1	42	-2.0	-113.56	361.58	4.88	-108.68
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530740	0	40	-2.0	-110.22	348.33	4.18	-106.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C(Cl)C=C1F	REAL300000530742	0	36	-2.0	-100.91	336.93	5.68	-95.23
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOCC2=C1	REAL300000530745	1	39	-2.0	-100.13	340.12	5.92	-94.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C1F	REAL300000530746	1	40	-2.0	-93.94	356.72	5.44	-88.50
CC1=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C(C(=O)[O-])S1	REAL300000530748	1	36	-2.0	-105.99	327.94	4.99	-101.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C(Cl)=C1	REAL300000530749	0	36	-2.0	-93.75	332.39	5.66	-88.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C1F	REAL300000530750	1	36	-2.0	-95.66	323.95	5.14	-90.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)S1	REAL300000530751	0	33	-2.0	-98.01	311.69	4.22	-93.79
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530752	1	36	-2.0	-99.52	325.82	5.17	-94.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1F	REAL300000530753	0	39	-2.0	-107.63	345.09	5.79	-101.84
COC1=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000530754	0	40	-2.0	-98.45	359.65	5.71	-92.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C(F)=C1	REAL300000530755	0	36	-2.0	-95.74	324.80	5.17	-90.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C1Cl	REAL300000530756	1	36	-2.0	-93.82	331.92	5.51	-88.31
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CCOCC2=C1	REAL300000530757	1	39	-2.0	-101.83	348.85	6.31	-95.52
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C1	REAL300000530758	1	44	-2.0	-92.60	383.16	6.52	-86.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=CC(F)=C1F	REAL300000530759	1	36	-2.0	-97.88	330.25	5.20	-92.68
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530760	1	38	-2.0	-93.61	347.61	5.77	-87.84
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530761	0	37	-2.0	-108.70	329.12	2.82	-105.88
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CCOCC3=C2)=C1	REAL300000530761	1	37	-2.0	-105.27	328.23	3.58	-101.69
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C1	REAL300000530762	1	39	-2.0	-99.98	341.58	5.89	-94.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=CC(Cl)=C1F	REAL300000530763	1	36	-2.0	-99.41	340.13	5.64	-93.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000530768	0	38	-2.0	-107.17	345.97	6.19	-100.98
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530769	0	36	-2.0	-97.64	331.10	5.22	-92.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000530771	0	39	-2.0	-108.49	344.73	5.80	-102.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1Cl	REAL300000530772	0	39	-2.0	-106.18	351.12	6.23	-99.95
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530773	0	39	-2.0	-114.07	344.37	5.79	-108.28
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2CCOCC2=C1	REAL300000530776	1	39	-2.0	-98.40	345.67	6.28	-92.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000530777	1	39	-2.0	-106.33	350.64	6.06	-100.27
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000530778	1	40	-2.0	-108.42	347.43	5.32	-103.10
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000530780	1	39	-2.0	-103.58	353.16	6.17	-97.41
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C(C(=O)[O-])S1	REAL300000530781	1	45	-2.0	-105.63	368.81	7.22	-98.41
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000530782	1	40	-2.0	-109.93	359.66	5.73	-104.20
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C([N+](=O)[O-])=C1	REAL300000530784	0	41	-2.0	-101.62	362.68	7.30	-94.32
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1[N+](=O)[O-]	REAL300000530786	0	38	-2.0	-116.45	343.14	6.95	-109.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1F	REAL300000530787	0	36	-2.0	-113.34	323.07	5.13	-108.21
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000530788	1	39	-2.0	-101.72	344.35	5.78	-95.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=CC2=CC=CC=C21	REAL300000530789	1	42	-2.0	-117.63	360.46	7.22	-110.41
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C1	REAL300000530790	0	35	-2.0	-106.44	315.56	3.21	-103.23
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CCOCC2=C1	REAL300000530791	0	40	-2.0	-100.68	347.62	4.90	-95.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)=C(Cl)O1	REAL300000530792	0	33	-2.0	-96.36	319.49	4.07	-92.29
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCOCC4=C3)C=C2)CC1	REAL300000530793	1	43	-2.0	-102.86	365.54	6.99	-95.87
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4CCOCC4=C3)C=C2C1	REAL300000530794	1	43	-2.0	-106.46	364.86	6.99	-99.47
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CCOCC3=C2)C=C(C(=O)[O-])O1	REAL300000530795	0	39	-2.0	-102.34	341.47	5.08	-97.26
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000530796	1	37	-2.0	-102.61	349.14	6.47	-96.14
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000530797	1	37	-2.0	-92.93	344.61	6.45	-86.48
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000530798	1	37	-2.0	-104.91	344.62	6.43	-98.48
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300000530799	0	41	-2.0	-111.03	372.75	6.23	-104.80
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000530800	1	41	-2.0	-92.97	376.06	7.73	-85.24
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000530801	1	40	-2.0	-105.78	360.63	6.98	-98.80
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000530802	1	43	-2.0	-109.17	377.28	7.80	-101.37
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000530803	0	37	-2.0	-102.74	350.09	6.50	-96.24
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000530804	1	43	-2.0	-92.31	388.20	8.04	-84.27
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000530805	0	34	-2.0	-99.27	337.79	5.46	-93.81
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000530806	1	40	-2.0	-107.27	360.05	7.23	-100.04
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1F	REAL300000530807	1	41	-2.0	-91.56	375.70	6.73	-84.83
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000530808	0	38	-2.0	-103.15	351.26	5.80	-97.35
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1F	REAL300000530809	1	41	-2.0	-107.90	368.81	5.26	-102.64
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000530810	0	37	-2.0	-95.51	353.72	6.13	-89.38
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1F	REAL300000530811	1	43	-2.0	-108.38	376.07	7.75	-100.63
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000530812	0	34	-2.0	-100.71	336.26	5.49	-95.22
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1F	REAL300000530813	1	41	-2.0	-110.68	371.90	6.51	-104.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)OC)C=C1C	REAL300000530814	1	43	-2.0	-106.13	374.03	8.14	-97.99
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000530815	0	37	-2.0	-99.96	347.62	5.59	-94.37
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000530816	0	41	-2.0	-104.41	373.53	5.54	-98.87
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1F	REAL300000530817	0	40	-2.0	-97.80	365.32	7.26	-90.54
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000530818	0	37	-2.0	-103.60	353.24	6.34	-97.26
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000530819	0	37	-2.0	-92.60	349.14	6.48	-86.12
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000530820	0	34	-2.0	-94.41	336.87	5.57	-88.84
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000530821	0	37	-2.0	-95.95	351.02	6.51	-89.44
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1F	REAL300000530822	0	40	-2.0	-104.00	370.35	7.14	-96.86
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000530823	0	37	-2.0	-91.96	350.08	6.52	-85.44
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000530824	0	38	-2.0	-106.41	354.32	4.15	-102.26
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000530825	1	40	-2.0	-96.94	366.80	7.23	-89.71
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000530826	1	40	-2.0	-100.27	354.65	7.07	-93.20
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000530827	1	40	-2.0	-103.80	369.45	7.10	-96.70
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000530828	1	40	-2.0	-93.52	360.03	7.21	-86.31
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000530829	1	43	-2.0	-107.50	378.08	7.53	-99.97
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000530830	1	43	-2.0	-104.37	379.09	7.83	-96.54
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1F	REAL300000530831	0	40	-2.0	-103.65	366.08	7.04	-96.61
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1F	REAL300000530832	0	40	-2.0	-108.21	369.65	7.14	-101.07
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)OC)C=C2C)C=C1C(=O)[O-]	REAL300000530833	1	43	-2.0	-106.43	378.94	7.62	-98.81
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)OC)C=C2C)C=C1C(=O)[O-]	REAL300000530834	0	41	-2.0	-104.41	372.56	6.65	-97.76
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000530835	1	40	-2.0	-92.94	360.61	6.99	-85.95
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1F	REAL300000530836	1	40	-2.0	-104.87	364.56	7.26	-97.61
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000530837	0	37	-2.0	-107.75	348.25	6.47	-101.28
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000530838	0	40	-2.0	-96.51	365.77	7.02	-89.49
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000530839	0	36	-2.0	-102.35	340.82	4.58	-97.77
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000530840	0	41	-2.0	-96.91	372.81	6.25	-90.66
COC(=O)C1=CC(C)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000530841	0	34	-2.0	-93.45	344.72	5.42	-88.03
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)OC)C=C2C)C=C(C(=O)[O-])O1	REAL300000530842	0	40	-2.0	-100.05	366.73	6.44	-93.61
COC1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000530871	0	38	-2.0	-111.84	348.16	6.39	-105.45
COC1=CC=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000530900	0	36	-2.0	-109.39	322.49	4.40	-104.99
CC(OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1)C1=CC=CC=C1	REAL300000530939	0	44	-2.0	-105.92	390.06	7.02	-98.90
CC(C)(C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1)S(C)(=O)=O	REAL300000530941	1	43	-2.0	-120.75	374.48	4.12	-116.63
CC(C)(C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1)S(C)(=O)=O	REAL300000530942	0	42	-2.0	-125.44	370.69	2.23	-123.21
O=C([O-])C1=CC=C2C(=C1)COCCN2S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000530947	0	39	-2.0	-99.95	352.84	5.48	-94.47
O=C([O-])C1=CC=C2C(=C1)COCCN2S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000530953	0	39	-2.0	-119.12	352.36	6.35	-112.77
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000530957	0	39	-2.0	-101.39	347.63	6.33	-95.06
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000530962	0	39	-2.0	-97.05	346.18	6.49	-90.56
CC1=CC=C(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000530980	0	42	-2.0	-118.08	363.85	6.86	-111.22
O=C([O-])C1=CC=C2C(=C1)COCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000531002	0	39	-2.0	-95.62	345.12	6.25	-89.37
O=C([O-])C1=CSC(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000531008	0	36	-2.0	-96.04	339.86	5.54	-90.50
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOCC2=CC(C(=O)[O-])=CC=C21	REAL300000531011	0	42	-2.0	-117.15	356.59	6.84	-110.31
CN1C=C(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000531031	0	40	-2.0	-99.23	354.87	5.67	-93.56
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000531046	0	39	-2.0	-96.75	357.17	6.05	-90.70
O=C([O-])C1=CC(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)=CS1	REAL300000531059	0	36	-2.0	-96.57	338.06	5.52	-91.05
CC1=CC=C([O-])C(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000531065	1	40	-2.0	-91.76	337.66	5.49	-86.27
CC1=C(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])O1	REAL300000531070	0	39	-2.0	-97.56	343.18	5.29	-92.27
CC1=C(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])S1	REAL300000531109	0	39	-2.0	-96.30	341.19	5.75	-90.55
O=C([O-])C1=CC=C2C(=C1)COCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000531139	0	39	-2.0	-100.08	350.66	6.53	-93.55
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300000531141	0	36	-2.0	-102.67	338.90	5.63	-97.04
O=C([O-])C1=CC=C2C(=C1)COCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1	REAL300000531143	0	39	-2.0	-92.94	352.54	6.55	-86.39
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)C(F)=C1	REAL300000531145	0	39	-2.0	-95.63	351.17	6.37	-89.26
O=C([O-])C1=CC=C2C(=C1)COCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000531157	0	39	-3.0	-171.96	344.91	4.98	-166.98
O=C([O-])C1=CC=C2C(=C1)COCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000531157	1	40	-2.0	-96.39	343.89	4.57	-91.82
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000531159	0	42	-2.0	-99.90	368.34	7.28	-92.62
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCOCC2=CC(C(=O)[O-])=CC=C21	REAL300000531173	0	42	-2.0	-98.68	351.73	6.73	-91.95
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCOCC2=CC(C(=O)[O-])=CC=C21	REAL300000531175	0	42	-2.0	-101.29	365.38	7.13	-94.16
COC1=CC=C([O-])C(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000531194	1	41	-2.0	-104.63	346.00	3.68	-100.95
CCN1C=C(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000531211	0	43	-2.0	-98.16	374.81	6.72	-91.44
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300000531253	1	39	-2.0	-95.86	360.75	2.16	-93.70
CC1=CC(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)=CC=C1C(=O)[O-]	REAL300000531278	0	42	-2.0	-101.36	363.82	6.87	-94.49
O=C([O-])C1=CC=C2C(=C1)COCCN2S(=O)(=O)C1=NC=C[N-]1	REAL300000531305	0	33	-2.0	-95.61	299.41	2.09	-93.52
O=C([O-])C1=CC=C2C(=C1)COCCN2S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000531323	0	39	-2.0	-117.65	346.23	6.29	-111.36
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000531375	0	38	-2.0	-103.17	347.58	4.54	-98.63
O=C([O-])C1=CC=C2C(=C1)COCCN2S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000531385	0	37	-2.0	-98.95	322.93	4.45	-94.50
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000531487	1	42	-2.0	-97.08	378.13	3.61	-93.47
CCOC(=O)C1=CC(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)=N[N-]1	REAL300000531487	1	42	-2.0	-96.95	378.18	3.61	-93.34
CCC1=C(S(=O)(=O)N2CCOCC3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])O1	REAL300000531524	0	42	-2.0	-109.95	365.82	6.45	-103.50
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000531534	0	36	-2.0	-94.64	327.29	5.32	-89.32
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000531541	0	36	-2.0	-100.31	326.81	6.20	-94.11
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000531548	0	36	-2.0	-103.05	321.52	6.11	-96.94
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000531554	0	36	-2.0	-99.58	322.29	6.17	-93.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C21	REAL300000531575	0	40	-2.0	-117.92	354.37	6.15	-111.77
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000531576	0	40	-2.0	-106.01	352.99	7.39	-98.62
CC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000531581	0	39	-2.0	-100.69	342.36	6.81	-93.88
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000531592	0	36	-2.0	-109.43	333.55	6.69	-102.74
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000531593	0	36	-2.0	-97.48	334.79	6.56	-90.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=C1C	REAL300000531609	0	42	-2.0	-120.34	349.12	7.18	-113.16
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000531612	0	36	-2.0	-108.98	331.70	6.40	-102.58
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000531617	0	42	-2.0	-101.77	365.11	7.68	-94.09
O=C([O-])C1=CSC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000531624	0	33	-2.0	-98.49	315.82	5.17	-93.32
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C21	REAL300000531627	0	39	-2.0	-118.80	331.52	6.61	-112.19
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000531640	0	40	-2.0	-102.78	352.61	6.38	-96.40
CN1C=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000531664	0	37	-2.0	-100.51	330.18	5.56	-94.95
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C21	REAL300000531667	0	40	-2.0	-112.11	351.49	5.18	-106.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000531684	0	36	-2.0	-107.11	331.71	5.83	-101.28
CC1=CC(C)=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000531687	0	42	-2.0	-109.93	358.51	7.67	-102.26
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=CS1	REAL300000531702	0	33	-2.0	-114.75	314.26	5.24	-109.51
COC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000531704	0	40	-2.0	-104.76	349.56	6.23	-98.53
CC1=CC=C([O-])C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000531713	1	37	-2.0	-96.20	325.42	4.96	-91.24
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C21	REAL300000531715	0	42	-2.0	-116.21	355.52	7.72	-108.49
CC1=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])O1	REAL300000531721	0	36	-2.0	-112.67	323.52	5.04	-107.63
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000531729	0	40	-2.0	-103.26	355.17	5.40	-97.86
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C21	REAL300000531746	0	39	-2.0	-111.82	337.78	6.84	-104.98
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)S1	REAL300000531763	1	39	-2.0	-98.44	352.43	2.75	-95.69
CC1=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])S1	REAL300000531777	0	36	-2.0	-117.19	329.81	6.06	-111.13
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C(Cl)=C1	REAL300000531818	0	36	-2.0	-99.49	333.47	6.68	-92.81
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000531819	0	36	-2.0	-103.03	326.12	6.14	-96.89
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)S1	REAL300000531822	0	33	-2.0	-105.21	316.27	5.38	-99.83
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1	REAL300000531824	0	36	-2.0	-95.29	328.69	6.23	-89.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=C1F	REAL300000531825	0	39	-2.0	-109.67	351.96	7.03	-102.64
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C(F)=C1	REAL300000531827	0	36	-2.0	-99.30	331.72	6.40	-92.90
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000531828	0	36	-2.0	-100.21	334.10	6.50	-93.71
CC(=O)NC1=CC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=CC=C1[O-]	REAL300000531836	1	41	-2.0	-101.24	356.39	2.42	-98.82
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000531844	0	36	-2.0	-112.70	333.11	6.26	-106.44
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000531849	0	36	-3.0	-176.37	332.38	4.94	-171.43
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000531849	1	37	-2.0	-116.55	333.03	4.21	-112.34
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000531851	0	39	-2.0	-102.16	343.71	6.88	-95.28
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C21	REAL300000531872	0	39	-2.0	-100.73	326.77	6.47	-94.26
CC1=CC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=CC(C(=O)[O-])=C1F	REAL300000531874	0	39	-2.0	-100.52	347.12	6.82	-93.70
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C21	REAL300000531875	0	39	-2.0	-105.31	331.47	6.62	-98.69
CC1=CC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000531880	0	42	-2.0	-122.14	359.10	7.33	-114.81
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000531884	0	36	-2.0	-101.90	337.98	6.47	-95.43
CC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C(C)=C1C(=O)[O-]	REAL300000531890	0	42	-2.0	-104.95	349.87	7.24	-97.71
CC1=CC(F)=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000531891	0	39	-2.0	-108.67	347.47	6.92	-101.75
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000531892	0	39	-2.0	-103.73	351.22	7.03	-96.70
CCC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000531896	0	42	-2.0	-98.95	356.22	7.35	-91.60
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C21	REAL300000531901	0	39	-2.0	-99.54	347.78	6.28	-93.26
COC1=CC=C([O-])C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000531910	1	38	-2.0	-96.84	333.46	3.62	-93.22
CCN1C=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000531931	0	40	-2.0	-101.03	351.45	6.42	-94.61
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)S1	REAL300000531995	1	36	-2.0	-96.89	337.73	2.08	-94.81
CC1=CC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=CC=C1C(=O)[O-]	REAL300000532030	0	39	-2.0	-102.70	338.28	6.71	-95.99
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C21	REAL300000532065	0	39	-2.0	-111.14	347.24	7.18	-103.96
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=NC=C[N-]1	REAL300000532070	0	30	-2.0	-96.18	275.62	1.89	-94.29
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000532096	0	36	-2.0	-103.87	329.93	6.35	-97.52
CC1=C(F)C=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000532114	0	39	-2.0	-112.06	347.23	6.83	-105.23
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000532168	0	35	-2.0	-98.01	321.11	4.57	-93.44
O=C([O-])C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000532181	0	34	-2.0	-91.45	310.38	4.40	-87.05
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C21	REAL300000532198	0	40	-2.0	-104.89	354.47	6.11	-98.78
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=C(Cl)O1	REAL300000532203	0	33	-2.0	-104.27	326.34	5.31	-98.96
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000532309	1	39	-2.0	-96.24	351.96	3.34	-92.90
CCOC(=O)C1=CC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)=N[N-]1	REAL300000532309	1	39	-2.0	-96.27	352.09	3.35	-92.92
CCC1=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])O1	REAL300000532364	0	39	-2.0	-112.35	343.49	5.83	-106.52
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1	REAL300000532370	0	39	-2.0	-86.13	358.45	1.22	-84.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC=C1F	REAL300000532371	1	32	-2.0	-101.79	306.51	2.66	-99.13
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1CO	REAL300000532372	0	40	-2.0	-103.89	361.59	3.72	-100.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1	REAL300000532373	1	32	-2.0	-91.92	301.97	2.64	-89.28
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532374	1	32	-2.0	-105.72	300.96	2.67	-103.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1CO	REAL300000532375	0	36	-2.0	-110.31	330.11	2.43	-107.88
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1	REAL300000532376	1	36	-2.0	-92.07	333.44	3.93	-88.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1C(=O)[O-]	REAL300000532377	1	35	-2.0	-105.29	318.00	3.17	-102.12
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532378	0	32	-2.0	-100.57	315.04	3.20	-97.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC=C1Cl	REAL300000532379	1	32	-2.0	-100.14	314.48	3.02	-97.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C(Cl)C=C1Cl	REAL300000532380	0	32	-2.0	-97.48	326.52	3.62	-93.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1C	REAL300000532381	1	38	-2.0	-107.99	335.08	3.97	-104.02
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532382	0	32	-2.0	-102.00	307.45	2.69	-99.31
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1	REAL300000532383	1	38	-2.0	-91.42	345.56	4.22	-87.20
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532384	0	29	-2.0	-98.65	295.16	1.65	-97.00
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1CO	REAL300000532385	1	35	-2.0	-106.15	317.41	3.42	-102.73
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1	REAL300000532386	1	36	-2.0	-90.58	333.05	2.92	-87.66
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1C(=O)[O-]	REAL300000532387	0	33	-2.0	-102.48	308.62	1.99	-100.49
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1CO	REAL300000532388	1	36	-2.0	-106.68	326.18	1.44	-105.24
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532389	0	32	-2.0	-96.04	310.08	2.36	-93.68
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1C(=O)[O-]	REAL300000532390	1	38	-2.0	-107.35	333.43	3.94	-103.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CS1	REAL300000532391	0	29	-2.0	-101.56	292.61	1.72	-99.84
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC(C(=O)[O-])=C1OC	REAL300000532392	1	40	-2.0	-106.09	359.28	2.48	-103.61
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1C(=O)[O-]	REAL300000532393	1	36	-2.0	-110.82	328.24	2.74	-108.08
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532394	1	42	-2.0	-109.82	357.21	5.26	-104.56
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1CO	REAL300000532395	1	41	-2.0	-108.32	355.87	4.64	-103.68
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1CO	REAL300000532396	1	38	-2.0	-104.89	329.87	4.28	-100.61
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1CO	REAL300000532397	0	39	-2.0	-110.00	352.41	3.20	-106.80
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=CC=C2CO)=CC(C(=O)[O-])=C1	REAL300000532398	0	35	-2.0	-110.54	329.58	3.13	-107.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC(C(=O)[O-])=C1	REAL300000532398	1	34	-3.0	-179.71	329.37	3.24	-176.47
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532399	1	39	-2.0	-110.12	346.22	4.53	-105.59
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C(C(=O)[O-])O1	REAL300000532400	0	32	-2.0	-99.67	303.97	1.81	-97.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC2=C1OCCO2	REAL300000532401	1	38	-2.0	-108.92	344.15	2.40	-106.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532402	0	36	-2.0	-104.78	330.94	1.72	-103.06
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC=C3CO)C=C2C1	REAL300000532403	1	40	-2.0	-91.19	354.90	3.23	-87.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC(Cl)=C1Cl	REAL300000532404	0	32	-2.0	-95.36	328.64	3.52	-91.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C(Cl)C=C1F	REAL300000532405	0	32	-2.0	-97.37	319.57	3.22	-94.15
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1Cl	REAL300000532406	1	36	-2.0	-90.25	348.05	3.50	-86.75
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC=C1OCC(=O)[O-]	REAL300000532407	1	39	-2.0	-91.09	353.13	3.62	-87.47
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1CO	REAL300000532408	0	35	-2.0	-96.59	322.68	3.45	-93.14
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC=C1OCCCC(=O)[O-]	REAL300000532409	1	45	-2.0	-91.51	395.56	4.55	-86.96
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1F	REAL300000532410	1	36	-2.0	-91.07	338.25	3.02	-88.05
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1C(=O)[O-]	REAL300000532411	1	39	-2.0	-110.75	351.11	3.61	-107.14
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C(C(=O)[O-])S1	REAL300000532412	0	32	-2.0	-102.59	310.60	2.52	-100.07
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532413	0	32	-2.0	-94.27	330.20	3.65	-90.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C(Cl)=C1	REAL300000532414	0	32	-2.0	-89.46	315.02	3.19	-86.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1F	REAL300000532415	0	32	-2.0	-92.72	305.47	2.71	-90.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)S1	REAL300000532416	0	29	-2.0	-93.63	294.24	1.76	-91.87
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532417	0	32	-2.0	-95.09	308.39	2.69	-92.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1F	REAL300000532418	0	35	-2.0	-103.34	327.72	3.33	-100.01
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C(Cl)C=C1C(=O)[O-]	REAL300000532419	0	36	-2.0	-94.04	342.28	3.25	-90.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C(F)=C1	REAL300000532420	0	32	-2.0	-91.08	307.44	2.70	-88.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1Cl	REAL300000532421	1	32	-2.0	-89.49	314.46	3.03	-86.46
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1CO	REAL300000532422	0	35	-2.0	-98.39	331.42	3.83	-94.56
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1	REAL300000532423	0	40	-2.0	-89.03	365.72	4.04	-84.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC(F)=C1F	REAL300000532424	0	32	-2.0	-93.40	312.79	2.72	-90.68
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532425	0	34	-2.0	-89.37	330.17	3.29	-86.08
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532426	0	33	-2.0	-105.39	311.69	0.34	-105.05
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1	REAL300000532427	1	35	-2.0	-96.18	324.16	3.42	-92.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC(Cl)=C1F	REAL300000532428	1	32	-2.0	-94.82	322.68	3.16	-91.66
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1CO	REAL300000532429	1	35	-2.0	-101.28	311.00	3.31	-97.97
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC(C(=O)[O-])=C1F	REAL300000532430	1	35	-2.0	-103.86	325.80	3.32	-100.54
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1CO	REAL300000532431	1	35	-2.0	-92.33	317.39	3.40	-88.93
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC(C(=O)[O-])=C1C	REAL300000532432	1	38	-2.0	-107.04	335.44	3.71	-103.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC=C1[N+](=O)[O-]	REAL300000532433	0	34	-2.0	-102.67	328.53	3.72	-98.95
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532434	0	32	-2.0	-93.44	313.71	2.76	-90.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C(C)=C1C(=O)[O-]	REAL300000532435	1	38	-2.0	-103.71	336.45	4.02	-99.69
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1C(=O)[O-]	REAL300000532436	0	35	-2.0	-103.06	323.45	3.23	-99.83
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1Cl	REAL300000532437	0	35	-2.0	-102.27	333.75	3.77	-98.50
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532438	0	35	-2.0	-107.94	326.99	3.32	-104.62
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1C(=O)[O-]	REAL300000532439	1	38	-2.0	-106.02	336.21	3.82	-102.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1CC(=O)[O-]	REAL300000532440	1	39	-2.0	-105.73	352.44	2.76	-102.97
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1CO	REAL300000532441	0	35	-2.0	-93.15	328.23	3.82	-89.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1C(F)(F)F	REAL300000532442	1	35	-2.0	-88.54	332.09	3.45	-85.09
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC(C(=O)[O-])=C1Cl	REAL300000532443	1	35	-2.0	-102.61	332.19	3.63	-98.98
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1C(=O)[O-]	REAL300000532444	0	36	-2.0	-103.76	329.92	2.83	-100.93
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C(C)=C1CC(=O)[O-]	REAL300000532445	1	44	-2.0	-103.49	367.12	5.50	-97.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C(F)C(Cl)=C1F	REAL300000532446	0	32	-2.0	-92.36	327.58	3.19	-89.17
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1C(=O)[O-]	REAL300000532447	1	35	-2.0	-98.36	330.81	3.64	-94.72
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C(C(=O)[O-])S1	REAL300000532448	0	41	-2.0	-102.28	351.41	4.76	-97.52
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1C(=O)[O-]	REAL300000532449	0	36	-2.0	-106.15	342.30	3.26	-102.89
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC=C1C(=O)[O-]	REAL300000532450	1	35	-2.0	-93.20	316.97	3.22	-89.98
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C([N+](=O)[O-])=C1	REAL300000532451	0	37	-2.0	-96.78	345.23	4.82	-91.96
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1CO	REAL300000532452	1	35	-2.0	-103.68	321.92	3.45	-100.23
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1[N+](=O)[O-]	REAL300000532453	0	34	-2.0	-111.13	324.68	4.52	-106.61
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1F	REAL300000532454	0	32	-2.0	-108.16	304.60	2.70	-105.46
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C1C(=O)[O-]	REAL300000532455	0	35	-2.0	-96.76	322.11	3.25	-93.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=CC2=CC=CC=C21	REAL300000532456	0	38	-2.0	-112.26	343.01	4.75	-107.51
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C1	REAL300000532457	0	31	-2.0	-101.76	298.18	0.75	-101.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC=C1CO	REAL300000532458	0	36	-2.0	-96.07	330.18	2.43	-93.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)=C(Cl)O1	REAL300000532459	0	29	-2.0	-93.59	301.06	1.65	-91.94
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC=C3CO)C=C2)CC1	REAL300000532460	1	39	-2.0	-98.88	348.10	4.52	-94.36
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC=C3CO)C=C2C1	REAL300000532461	1	39	-2.0	-100.19	346.05	4.50	-95.69
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC=C2CO)C=C(C(=O)[O-])O1	REAL300000532462	0	35	-2.0	-99.61	322.95	2.65	-96.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3SC(C(F)F)=NC3=CC=C2)C=C1	REAL300000532463	0	33	-2.0	-93.23	331.95	5.39	-87.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C3SC(C(F)F)=NC3=CC=C2)=C1	REAL300000532464	0	33	-2.0	-105.34	331.27	5.40	-99.94
CC1=CC=C(S(=O)(=O)[N-]C2=C3SC(C(F)F)=NC3=CC=C2)C=C1C(=O)[O-]	REAL300000532465	0	36	-2.0	-106.49	347.30	5.94	-100.55
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C3SC(C(F)F)=NC3=CC=C2)=C1	REAL300000532466	0	30	-2.0	-99.78	324.46	4.42	-95.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C2SC(C(F)F)=NC2=CC=C1	REAL300000532467	0	36	-2.0	-106.00	346.71	6.20	-99.80
CN1C=C(S(=O)(=O)[N-]C2=C3SC(C(F)F)=NC3=CC=C2)C=C1C(=O)[O-]	REAL300000532468	0	34	-2.0	-103.75	338.61	4.74	-99.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C3SC(C(F)F)=NC3=CC=C2)=CS1	REAL300000532469	0	30	-2.0	-101.17	323.62	4.42	-96.75
CC1=C(S(=O)(=O)[N-]C2=C3SC(C(F)F)=NC3=CC=C2)C=C(C(=O)[O-])O1	REAL300000532470	0	33	-2.0	-99.02	334.97	4.53	-94.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C3SC(C(F)F)=NC3=CC=C2)S1	REAL300000532471	0	30	-2.0	-94.86	324.22	4.51	-90.35
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C3SC(C(F)F)=NC3=CC=C2)C=C1	REAL300000532472	0	36	-2.0	-96.12	354.13	6.17	-89.95
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C2SC(C(F)F)=NC2=CC=C1	REAL300000532473	0	36	-2.0	-100.82	341.31	6.04	-94.78
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C2SC(C(F)F)=NC2=CC=C1	REAL300000532474	0	36	-2.0	-93.20	347.38	6.15	-87.05
CC1=CC(S(=O)(=O)[N-]C2=C3SC(C(F)F)=NC3=CC=C2)=CC=C1C(=O)[O-]	REAL300000532475	0	36	-2.0	-93.02	347.28	5.95	-87.07
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C3SC(C(F)F)=NC3=CC=C2)=C1	REAL300000532476	0	32	-2.0	-102.29	327.48	3.53	-98.76
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000532477	0	41	-2.0	-81.16	367.66	3.56	-77.60
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000532478	1	34	-2.0	-96.10	315.49	5.03	-91.07
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNC2=NC=CC2=C1C	REAL300000532479	0	42	-2.0	-96.89	370.57	6.09	-90.80
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2NC=CC2=C1C	REAL300000532479	1	42	-2.0	-112.63	371.53	6.08	-106.55
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000532480	1	34	-2.0	-86.94	310.94	5.01	-81.93
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000532481	1	34	-2.0	-97.84	311.21	4.98	-92.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNC2=NC=CC2=C1C	REAL300000532482	0	38	-2.0	-102.68	339.10	4.80	-97.88
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000532483	1	38	-2.0	-86.81	342.65	6.27	-80.54
CC1=CC=C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)C=C1C(=O)[O-]	REAL300000532484	1	37	-2.0	-98.75	326.97	5.54	-93.21
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000532485	0	34	-2.0	-93.88	324.03	5.56	-88.32
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000532486	1	34	-2.0	-94.14	323.46	5.40	-88.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)=C1C	REAL300000532487	1	40	-2.0	-100.68	343.35	6.31	-94.37
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000532488	0	34	-2.0	-94.89	316.42	5.07	-89.82
CC1=C2C=CNC2=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000532488	1	34	-2.0	-111.66	317.39	5.06	-106.60
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000532489	1	40	-2.0	-85.66	354.77	6.57	-79.09
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000532490	0	31	-2.0	-92.80	304.14	4.03	-88.77
CC1=C2C=CNC2=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000532490	1	31	-2.0	-108.11	305.10	4.02	-104.09
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNC2=NC=CC2=C1C	REAL300000532491	1	37	-2.0	-99.01	326.39	5.79	-93.22
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000532492	1	38	-2.0	-85.43	342.27	5.26	-80.17
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000532493	0	35	-2.0	-96.53	317.59	4.36	-92.17
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNC2=NC=CC2=C1C	REAL300000532494	1	38	-2.0	-99.81	334.74	3.83	-95.98
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)=C1	REAL300000532495	0	34	-2.0	-89.27	320.06	4.69	-84.58
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C3NC=CC3=C2C)=C1	REAL300000532495	1	34	-2.0	-104.14	321.03	4.68	-99.46
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)C=C1C(=O)[O-]	REAL300000532496	1	40	-2.0	-99.93	342.40	6.32	-93.61
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000532497	0	31	-2.0	-94.12	302.61	4.05	-90.07
COC1=CC(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)=CC(C(=O)[O-])=C1OC	REAL300000532498	1	42	-2.0	-98.55	369.30	4.81	-93.74
COC1=CC=C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)C=C1C(=O)[O-]	REAL300000532499	1	38	-2.0	-103.73	338.25	5.07	-98.66
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000532500	1	44	-2.0	-102.17	366.19	7.63	-94.54
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000532501	1	43	-2.0	-100.58	364.85	7.01	-93.57
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNC2=NC=CC2=C1C	REAL300000532502	1	40	-2.0	-97.52	338.68	6.62	-90.90
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNC2=NC=CC2=C1C	REAL300000532503	0	41	-2.0	-102.10	361.38	5.57	-96.53
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2NC=CC2=C1C	REAL300000532503	1	41	-2.0	-119.94	362.34	5.56	-114.38
CC1=C2C=CN=C2NC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000532504	0	37	-2.0	-109.58	333.38	5.20	-104.38
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000532504	1	36	-3.0	-170.93	339.62	5.53	-165.40
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000532505	1	41	-2.0	-102.58	355.20	6.90	-95.68
CC1=C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)C=C(C(=O)[O-])O1	REAL300000532506	0	34	-2.0	-93.00	313.96	4.15	-88.85
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000532507	1	40	-2.0	-102.64	353.13	4.78	-97.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)=C1	REAL300000532508	0	38	-2.0	-98.63	339.87	4.09	-94.54
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000532509	1	42	-2.0	-85.54	363.87	5.61	-79.93
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000532510	0	34	-2.0	-91.34	328.54	5.60	-85.74
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000532511	1	38	-2.0	-84.30	358.06	5.83	-78.47
CC1=CC(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)=CC=C1OCC(=O)[O-]	REAL300000532512	1	41	-2.0	-85.85	362.11	5.99	-79.86
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000532513	1	37	-2.0	-90.36	331.66	5.82	-84.54
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000532514	1	38	-2.0	-85.51	348.26	5.35	-80.16
CCOC1=CC=C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)C=C1C(=O)[O-]	REAL300000532515	1	41	-2.0	-104.31	360.09	5.98	-98.33
CC1=C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)C=C(C(=O)[O-])S1	REAL300000532516	0	34	-2.0	-95.76	320.65	4.89	-90.87
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000532517	0	34	-2.0	-84.74	324.01	5.56	-79.18
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000532518	1	34	-2.0	-86.96	315.48	5.04	-81.92
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000532519	0	31	-2.0	-88.25	303.22	4.13	-84.12
CC1=C2C=CNC2=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000532519	1	31	-2.0	-102.91	304.18	4.13	-98.78
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000532520	0	34	-2.0	-89.46	317.37	5.07	-84.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)=C1F	REAL300000532521	0	37	-2.0	-96.09	336.71	5.71	-90.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3NC=CC3=C2C)=C1F	REAL300000532521	1	37	-2.0	-113.02	337.66	5.69	-107.33
COC1=CC(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000532522	0	38	-2.0	-89.41	351.26	5.62	-83.79
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000532523	0	34	-2.0	-86.02	316.41	5.07	-80.95
CC1=C2C=CNC2=NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000532523	1	34	-2.0	-100.59	317.38	5.07	-95.52
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000532524	1	34	-2.0	-84.74	323.46	5.41	-79.33
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000532525	1	37	-2.0	-91.82	340.40	6.20	-85.62
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000532526	0	42	-2.0	-83.96	374.94	6.39	-77.57
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000532527	1	34	-2.0	-88.42	321.78	5.10	-83.32
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000532528	0	36	-2.0	-84.21	339.14	5.67	-78.54
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000532529	0	35	-2.0	-98.03	320.67	2.70	-95.33
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000532530	1	37	-2.0	-89.68	333.37	5.76	-83.92
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000532531	1	34	-2.0	-89.57	331.67	5.53	-84.04
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000532532	1	37	-2.0	-94.24	320.99	5.65	-88.59
CC1=CC(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)=CC(C(=O)[O-])=C1F	REAL300000532533	1	37	-2.0	-97.30	335.80	5.65	-91.65
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CNC2=NC=CC2=C1C	REAL300000532534	1	37	-2.0	-87.37	326.37	5.77	-81.60
CC1=CC(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)=CC(C(=O)[O-])=C1C	REAL300000532535	1	40	-2.0	-100.42	343.83	6.07	-94.35
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000532536	0	36	-2.0	-97.88	337.53	6.10	-91.78
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000532537	0	34	-2.0	-87.18	322.95	5.10	-82.08
CC1=C2C=CNC2=NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000532537	1	34	-2.0	-103.01	323.65	5.12	-97.89
CC1=CC=C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)C(C)=C1C(=O)[O-]	REAL300000532538	1	40	-2.0	-98.56	344.34	6.42	-92.14
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)C=C1C(=O)[O-]	REAL300000532539	0	37	-2.0	-96.99	336.27	5.70	-91.29
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C3NC=CC3=C2C)C=C1C(=O)[O-]	REAL300000532539	1	37	-2.0	-113.97	337.23	5.69	-108.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)=C1Cl	REAL300000532540	0	37	-2.0	-95.44	342.72	6.14	-89.30
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)=C1	REAL300000532541	0	37	-2.0	-102.19	335.99	5.69	-96.50
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C3NC=CC3=C2C)=C1	REAL300000532541	1	37	-2.0	-118.21	336.95	5.69	-112.52
CCC1=CC=C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)C=C1C(=O)[O-]	REAL300000532542	1	40	-2.0	-99.32	345.28	6.19	-93.13
COC1=CC=C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)C=C1CC(=O)[O-]	REAL300000532543	1	41	-2.0	-100.05	361.42	5.13	-94.92
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000532544	1	37	-2.0	-88.04	337.21	6.19	-81.85
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000532545	1	37	-2.0	-84.04	341.09	5.81	-78.23
CC1=CC(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000532546	1	37	-2.0	-95.74	342.19	5.96	-89.78
CCN1C=C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)C=C1C(=O)[O-]	REAL300000532547	0	38	-2.0	-97.75	338.98	5.22	-92.53
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)C(C)=C1CC(=O)[O-]	REAL300000532548	1	46	-2.0	-97.83	376.10	7.87	-89.96
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000532549	1	37	-2.0	-92.62	344.73	6.07	-86.55
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000532550	0	43	-2.0	-95.47	359.67	7.07	-88.40
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)C=C1C(=O)[O-]	REAL300000532551	0	38	-2.0	-99.45	351.27	5.63	-93.82
CC1=CC(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)=CC=C1C(=O)[O-]	REAL300000532552	1	37	-2.0	-88.48	331.02	5.65	-82.83
CC1=C2C=CNC2=NC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000532553	0	39	-2.0	-105.75	355.17	7.19	-98.56
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNC2=NC=CC2=C1C	REAL300000532554	1	37	-2.0	-97.36	330.48	5.83	-91.53
CC1=C2C=CNC2=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000532555	0	36	-2.0	-120.66	335.65	6.84	-113.82
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000532556	0	34	-2.0	-101.55	314.59	5.03	-96.52
CC1=C2C=CNC2=NC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000532556	1	34	-2.0	-117.47	315.55	5.02	-112.45
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000532557	1	37	-2.0	-91.00	335.91	5.68	-85.32
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000532558	1	40	-2.0	-105.49	351.99	7.12	-98.37
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000532559	0	33	-2.0	-95.31	307.17	3.13	-92.18
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CNC2=NC=CC2=C1C	REAL300000532560	0	38	-2.0	-90.47	339.15	4.80	-85.67
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000532561	0	31	-2.0	-87.05	311.05	3.98	-83.07
CC1=C2C=CNC2=NC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000532561	1	31	-2.0	-101.54	312.01	3.97	-97.57
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000532562	1	41	-2.0	-92.94	357.33	6.87	-86.07
CC1=C2C=CN=C2NC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000532563	1	41	-2.0	-94.81	355.04	6.86	-87.95
CCC1=C(S(=O)(=O)[N-]C2=CNC3=NC=CC3=C2C)C=C(C(=O)[O-])O1	REAL300000532564	0	37	-2.0	-92.73	332.31	4.97	-87.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=CC=C1F	REAL300000532565	0	36	-2.0	-119.42	338.68	2.11	-117.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1	REAL300000532566	0	36	-2.0	-108.08	334.13	2.09	-105.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1	REAL300000532567	0	36	-2.0	-122.16	334.16	2.08	-120.08
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCNC2=O)C=C1	REAL300000532568	0	40	-2.0	-125.93	362.28	1.89	-124.04
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1	REAL300000532569	0	40	-2.0	-107.56	365.60	3.38	-104.18
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000532570	0	39	-2.0	-123.47	350.16	2.61	-120.86
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1	REAL300000532571	0	36	-2.0	-115.85	347.22	2.64	-113.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=CC=C1Cl	REAL300000532572	0	36	-2.0	-117.79	346.66	2.47	-115.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1C	REAL300000532573	0	42	-2.0	-123.03	366.81	3.43	-119.60
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1	REAL300000532574	0	36	-2.0	-117.72	339.61	2.14	-115.58
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1	REAL300000532575	0	42	-2.0	-107.30	377.72	3.67	-103.63
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1	REAL300000532576	0	33	-2.0	-114.30	327.34	1.10	-113.20
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCNC2=O)C=C1	REAL300000532577	0	39	-2.0	-120.93	349.58	2.85	-118.08
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1	REAL300000532578	0	40	-2.0	-106.41	365.22	2.37	-104.04
CN1C=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000532579	0	37	-2.0	-118.60	340.79	1.43	-117.17
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCNC2=O)C=C1	REAL300000532580	0	40	-2.0	-121.54	357.93	0.92	-120.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1	REAL300000532581	0	36	-2.0	-111.41	343.26	1.77	-109.64
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000532582	0	42	-2.0	-122.20	365.60	3.39	-118.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=CS1	REAL300000532583	0	33	-2.0	-117.38	325.81	1.10	-116.28
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000532584	0	40	-2.0	-125.80	361.44	2.15	-123.65
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCNC2=O)C=C1	REAL300000532585	0	45	-2.0	-123.21	388.04	4.08	-119.13
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCNC2=O)C=C1	REAL300000532586	0	42	-2.0	-119.17	364.28	3.79	-115.38
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCNC2=O)C=C1	REAL300000532587	0	43	-2.0	-126.15	384.56	2.66	-123.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=CC(C(=O)[O-])=C1	REAL300000532588	0	38	-3.0	-196.39	362.55	2.64	-193.75
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1	REAL300000532589	0	43	-2.0	-125.20	378.39	3.97	-121.23
CC1=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000532590	0	36	-2.0	-114.36	337.51	1.23	-113.13
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1	REAL300000532591	0	40	-2.0	-123.13	363.07	1.18	-121.95
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=CC=C1OCC(=O)[O-]	REAL300000532592	0	43	-2.0	-106.84	385.30	3.07	-103.77
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCNC2=O)C=C1	REAL300000532593	0	39	-2.0	-111.38	354.85	2.90	-108.48
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1F	REAL300000532594	0	40	-2.0	-105.90	371.46	2.43	-103.47
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000532595	0	43	-2.0	-128.75	383.30	3.06	-125.69
CC1=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C(C(=O)[O-])S1	REAL300000532596	0	36	-2.0	-117.09	343.82	1.97	-115.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C(Cl)=C1	REAL300000532597	0	36	-2.0	-105.78	347.20	2.63	-103.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1F	REAL300000532598	0	36	-2.0	-107.20	338.68	2.12	-105.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)S1	REAL300000532599	0	33	-2.0	-110.09	326.40	1.21	-108.88
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1	REAL300000532600	0	36	-2.0	-112.51	340.55	2.15	-110.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1F	REAL300000532601	0	39	-2.0	-119.13	359.90	2.78	-116.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C(F)=C1	REAL300000532602	0	36	-2.0	-107.80	339.61	2.15	-105.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1Cl	REAL300000532603	0	36	-2.0	-105.41	346.65	2.48	-102.93
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCNC2=O)C=C1	REAL300000532604	0	39	-2.0	-113.06	363.59	3.27	-109.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=CC(F)=C1F	REAL300000532605	0	36	-2.0	-108.74	344.97	2.17	-106.57
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1	REAL300000532606	0	38	-2.0	-104.96	362.34	2.75	-102.21
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1	REAL300000532607	0	37	-2.0	-119.95	343.86	-0.19	-120.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1	REAL300000532608	0	39	-2.0	-112.74	356.32	2.87	-109.87
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C2CCNC2=O)C=C1	REAL300000532609	0	39	-2.0	-118.03	344.22	2.71	-115.32
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=CC(C(=O)[O-])=C1F	REAL300000532610	0	39	-2.0	-118.60	358.98	2.73	-115.87
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2CCNC2=O)C=C1	REAL300000532611	0	39	-2.0	-108.03	349.56	2.85	-105.18
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=CC(C(=O)[O-])=C1C	REAL300000532612	0	42	-2.0	-126.82	370.97	3.25	-123.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=CC=C1[N+](=O)[O-]	REAL300000532613	0	38	-2.0	-119.84	360.72	3.18	-116.66
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1	REAL300000532614	0	36	-2.0	-109.34	345.90	2.21	-107.13
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C(C)=C1C(=O)[O-]	REAL300000532615	0	42	-2.0	-122.47	367.53	3.49	-118.98
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000532616	0	39	-2.0	-120.09	359.46	2.78	-117.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1Cl	REAL300000532617	0	39	-2.0	-117.68	365.91	3.21	-114.47
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1	REAL300000532618	0	39	-2.0	-127.20	359.18	2.77	-124.43
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000532619	0	42	-2.0	-124.21	368.47	3.27	-120.94
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1CC(=O)[O-]	REAL300000532620	0	43	-2.0	-123.40	384.62	2.21	-121.19
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(C2CCNC2=O)C=C1	REAL300000532621	0	39	-2.0	-110.96	360.41	3.25	-107.71
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000532622	0	39	-2.0	-117.55	365.37	3.04	-114.51
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000532623	0	40	-2.0	-119.88	362.09	2.29	-117.59
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000532624	0	39	-2.0	-113.43	364.01	3.05	-110.38
CC1=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=CC=C1C(=O)[O-]	REAL300000532625	0	39	-2.0	-108.16	350.15	2.62	-105.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2CCNC2=O)C=C1	REAL300000532626	0	39	-2.0	-118.28	353.68	2.92	-115.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1[N+](=O)[O-]	REAL300000532627	0	38	-2.0	-129.78	357.87	3.94	-125.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1F	REAL300000532628	0	36	-2.0	-126.40	337.81	2.12	-124.28
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000532629	0	39	-2.0	-111.70	355.31	2.65	-109.05
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C1	REAL300000532630	0	35	-2.0	-117.78	331.13	0.13	-117.65
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2CCNC2=O)C=C1	REAL300000532631	0	40	-2.0	-112.52	362.35	1.89	-110.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)=C(Cl)O1	REAL300000532632	0	33	-2.0	-107.79	334.29	1.06	-106.73
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN(C4CCNC4=O)C=C3)C=C2)CC1	REAL300000532633	0	43	-2.0	-114.17	378.74	3.93	-110.24
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN(C4CCNC4=O)C=C3)C=C2C1	REAL300000532634	0	43	-2.0	-118.32	379.58	3.97	-114.35
CCC1=C(S(=O)(=O)[N-]C2=NN(C3CCNC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000532635	0	39	-2.0	-113.58	356.26	2.07	-111.51
CC1=CNC(=O)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000532668	0	34	-2.0	-112.30	314.57	2.83	-109.47
CC1=CNC(=O)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000532699	0	32	-2.0	-112.96	294.80	0.87	-112.09
CC1=CNC(=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000532707	1	31	-2.0	-112.20	298.88	4.42	-107.78
CC1=CNC(=O)C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=C1	REAL300000532708	1	28	-2.0	-109.52	299.73	4.02	-105.50
CC1=CNC(=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000532721	0	31	-2.0	-110.55	312.76	4.85	-105.70
CC1=CNC(=O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000532735	1	28	-2.0	-110.49	287.25	3.30	-107.19
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000532741	0	34	-2.0	-111.57	333.99	5.59	-105.98
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000532742	0	34	-2.0	-101.90	326.96	5.82	-96.08
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000532743	0	34	-2.0	-117.92	326.80	5.83	-112.09
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000532744	0	38	-2.0	-120.12	357.61	5.36	-114.76
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000532745	0	38	-2.0	-100.38	360.90	6.86	-93.52
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000532746	0	37	-2.0	-113.46	342.77	6.36	-107.10
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000532747	0	34	-2.0	-111.09	340.06	6.40	-104.69
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000532748	0	34	-2.0	-110.15	341.96	5.97	-104.18
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000532749	0	40	-2.0	-117.94	362.23	6.93	-111.01
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000532750	0	34	-2.0	-112.78	332.47	5.88	-106.90
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000532751	0	40	-2.0	-99.22	370.55	7.39	-91.83
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000532752	0	31	-2.0	-110.52	322.57	4.60	-105.92
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000532753	0	37	-2.0	-115.29	344.52	6.36	-108.93
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000532754	0	38	-2.0	-99.35	360.51	5.85	-93.50
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000532755	0	35	-2.0	-114.68	336.04	4.92	-109.76
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000532756	0	38	-2.0	-115.81	353.34	4.41	-111.40
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000532757	0	34	-2.0	-105.81	338.50	5.25	-100.56
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000532758	0	40	-2.0	-118.27	357.23	7.12	-111.15
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000532759	0	31	-2.0	-112.90	318.45	4.87	-108.03
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000532760	0	38	-2.0	-122.17	356.73	5.63	-116.54
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000532761	0	43	-2.0	-118.67	379.84	7.79	-110.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)SC=C1C(=O)OC	REAL300000532762	0	40	-2.0	-112.79	359.41	7.29	-105.50
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000532763	0	41	-2.0	-118.36	379.89	6.12	-112.24
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000532764	0	36	-3.0	-194.38	355.21	6.40	-187.98
COC(=O)C1=CSC(C)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000532764	1	37	-2.0	-110.90	359.48	6.60	-104.30
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000532765	0	41	-2.0	-121.46	371.23	7.71	-113.75
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000532766	0	34	-2.0	-109.75	329.72	4.93	-104.82
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000532767	0	38	-2.0	-117.84	358.39	4.66	-113.18
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000532768	0	41	-2.0	-99.95	380.60	6.55	-93.40
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000532769	0	37	-2.0	-106.42	349.79	6.39	-100.03
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000532770	0	41	-2.0	-121.15	378.59	6.54	-114.61
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000532771	0	34	-2.0	-111.93	339.17	5.46	-106.47
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000532772	0	34	-2.0	-100.34	342.57	6.14	-94.20
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000532773	0	34	-2.0	-101.94	333.98	5.60	-96.34
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000532774	0	31	-2.0	-104.47	321.65	4.70	-99.77
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000532775	0	34	-2.0	-107.72	333.30	5.85	-101.87
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000532776	0	37	-2.0	-114.02	355.21	6.27	-107.75
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000532777	0	34	-2.0	-102.49	334.90	5.64	-96.85
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000532778	0	34	-2.0	-100.10	341.95	5.97	-94.13
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000532779	0	34	-2.0	-101.61	337.82	5.91	-95.70
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000532780	0	35	-2.0	-113.29	339.19	3.27	-110.02
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000532781	0	37	-2.0	-104.51	349.15	6.59	-97.92
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000532782	0	37	-2.0	-110.87	340.36	6.54	-104.33
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000532783	0	37	-2.0	-110.88	351.84	6.47	-104.41
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000532784	0	37	-2.0	-103.01	344.49	6.36	-96.65
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000532785	0	40	-2.0	-120.99	359.09	6.89	-114.10
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000532786	0	34	-2.0	-104.19	341.19	5.69	-98.50
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000532787	0	40	-2.0	-116.53	363.11	7.00	-109.53
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000532788	0	37	-2.0	-115.36	352.19	6.52	-108.84
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000532789	0	37	-2.0	-121.43	354.47	6.27	-115.16
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000532790	0	40	-2.0	-113.98	361.95	7.02	-106.96
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000532791	0	41	-2.0	-119.46	379.92	5.68	-113.78
CCN1C=C(S(=O)(=O)[N-]C2=C(C)SC=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000532792	0	38	-2.0	-116.14	357.41	5.78	-110.36
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000532793	0	37	-2.0	-102.62	343.31	6.36	-96.26
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000532794	0	37	-2.0	-113.14	349.09	6.41	-106.73
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000532795	0	34	-2.0	-120.05	333.10	5.60	-114.45
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000532796	0	37	-2.0	-106.03	352.12	6.48	-99.55
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000532797	0	33	-2.0	-111.06	326.37	3.64	-107.42
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000532798	0	38	-2.0	-107.18	357.67	5.36	-101.82
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000532799	0	31	-2.0	-103.89	329.61	4.54	-99.35
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000532800	0	41	-2.0	-108.94	373.11	7.69	-101.25
COC(=O)C1=CSC(C)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000532801	0	41	-2.0	-109.87	374.89	7.44	-102.43
CCC1=C(S(=O)(=O)[N-]C2=C(C)SC=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000532802	0	37	-2.0	-109.53	349.08	5.77	-103.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)=CC=C1F	REAL300000532803	1	33	-2.0	-97.53	325.11	3.60	-93.93
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1	REAL300000532805	1	33	-2.0	-99.44	320.58	3.56	-95.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300000532806	0	37	-2.0	-103.82	348.72	3.36	-100.46
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)C=C1	REAL300000532807	1	37	-2.0	-87.87	352.03	4.87	-83.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1C	REAL300000532809	1	39	-2.0	-101.91	353.26	4.91	-97.00
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1	REAL300000532810	0	33	-2.0	-96.07	326.06	3.63	-92.44
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)C=C1	REAL300000532811	1	39	-2.0	-86.67	364.14	5.15	-81.52
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1	REAL300000532812	0	30	-2.0	-94.28	313.76	2.59	-91.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300000532813	1	36	-2.0	-99.90	336.01	4.35	-95.55
CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)C=C1C(=O)[O-]	REAL300000532815	1	34	-2.0	-98.11	327.23	2.92	-95.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1	REAL300000532817	0	33	-2.0	-90.77	329.69	3.25	-87.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)=CS1	REAL300000532819	0	30	-2.0	-95.61	312.23	2.61	-93.00
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300000532821	1	39	-2.0	-98.35	350.72	5.29	-93.06
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)C=C(C(=O)[O-])O1	REAL300000532822	0	33	-2.0	-94.01	323.59	2.71	-91.30
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1	REAL300000532823	0	37	-2.0	-101.24	349.50	2.65	-98.59
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)C=C(C(=O)[O-])S1	REAL300000532824	1	33	-2.0	-96.72	330.27	3.45	-93.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)C=C1F	REAL300000532825	1	33	-2.0	-88.14	325.10	3.61	-84.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)S1	REAL300000532826	0	30	-2.0	-89.65	312.84	2.69	-86.96
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1	REAL300000532827	1	33	-2.0	-90.87	326.98	3.63	-87.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)C(F)=C1	REAL300000532828	0	33	-2.0	-87.49	326.04	3.64	-83.85
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1	REAL300000532829	0	34	-2.0	-98.60	330.29	1.28	-97.32
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3NC(=O)C(F)(F)C3=C2)=C1	REAL300000532829	1	34	-2.0	-102.09	329.47	2.08	-100.01
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)C=C1	REAL300000532830	1	36	-2.0	-90.67	342.74	4.35	-86.32
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300000532831	1	36	-2.0	-96.37	330.62	4.21	-92.16
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)C=C1C(=O)[O-]	REAL300000532835	1	39	-2.0	-101.03	354.52	4.76	-96.27
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)C=C1C(=O)[O-]	REAL300000532836	1	37	-2.0	-99.32	348.60	3.78	-95.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1F	REAL300000532838	0	33	-2.0	-103.91	324.24	3.60	-100.31
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)=C1	REAL300000532839	0	32	-2.0	-95.90	317.57	1.63	-94.27
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300000532840	0	37	-2.0	-91.94	348.78	3.36	-88.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)=C(Cl)O1	REAL300000532841	0	30	-2.0	-88.21	320.73	2.55	-85.66
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(=O)C(F)(F)C3=C2)C=C(C(=O)[O-])O1	REAL300000532842	0	36	-2.0	-93.82	342.71	3.56	-90.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=CC=C1F	REAL300000532843	1	39	-2.0	-107.62	353.55	4.56	-103.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=CC=C1	REAL300000532845	1	39	-2.0	-112.92	349.00	4.47	-108.45
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCC(=O)N2)C=C1	REAL300000532846	0	43	-2.0	-119.07	377.15	4.26	-114.81
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)C=C1	REAL300000532847	1	43	-2.0	-100.27	380.45	5.82	-94.45
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=C1	REAL300000532849	0	39	-2.0	-108.94	362.07	5.04	-103.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=CC=C1Cl	REAL300000532850	1	39	-2.0	-105.93	361.53	4.92	-101.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=C1C	REAL300000532851	1	45	-2.0	-116.60	381.39	5.83	-110.77
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=C1	REAL300000532852	0	39	-2.0	-110.76	354.48	4.53	-106.23
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)C=C1	REAL300000532853	1	45	-2.0	-99.59	392.56	6.11	-93.48
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=C1	REAL300000532854	0	36	-2.0	-107.18	342.19	3.48	-103.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCC(=O)N2)C=C1	REAL300000532855	1	42	-2.0	-114.54	364.44	5.26	-109.28
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)C=C1C(=O)[O-]	REAL300000532857	1	40	-2.0	-111.23	355.64	3.81	-107.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=C1	REAL300000532859	0	39	-2.0	-103.50	358.16	4.20	-99.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=CS1	REAL300000532861	0	36	-2.0	-108.57	340.65	3.50	-105.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCC(=O)N2)C=C1	REAL300000532863	1	45	-2.0	-113.03	379.14	6.19	-106.84
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)C=C(C(=O)[O-])O1	REAL300000532864	0	39	-2.0	-107.44	352.01	3.66	-103.78
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=C1	REAL300000532865	0	43	-2.0	-114.39	377.96	3.61	-110.78
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCC(=O)N2)C=C1	REAL300000532866	1	42	-2.0	-105.04	369.71	5.34	-99.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)C=C(C(=O)[O-])S1	REAL300000532867	1	39	-2.0	-110.87	357.60	4.36	-106.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)C(Cl)=C1	REAL300000532868	0	39	-2.0	-98.05	362.05	5.09	-92.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)C=C1F	REAL300000532869	1	39	-2.0	-99.91	353.52	4.51	-95.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)S1	REAL300000532870	0	36	-2.0	-102.40	341.27	3.60	-98.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=CC(F)=C1	REAL300000532871	1	39	-2.0	-103.78	355.41	4.59	-99.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=C1F	REAL300000532872	0	42	-2.0	-112.37	374.75	5.22	-107.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)C(F)=C1	REAL300000532873	0	39	-2.0	-100.06	354.46	4.60	-95.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)C=C1Cl	REAL300000532874	1	39	-2.0	-98.05	361.49	4.87	-93.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=CC(F)=C1F	REAL300000532875	1	39	-2.0	-102.34	359.82	4.62	-97.72
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=C1	REAL300000532876	0	40	-2.0	-113.71	358.72	2.18	-111.53
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3CCC(=O)N3)C=C2)=C1	REAL300000532876	1	40	-2.0	-109.79	357.91	2.97	-106.82
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)C=C1	REAL300000532877	1	42	-2.0	-104.77	371.16	5.31	-99.46
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2CCC(=O)N2)C=C1	REAL300000532878	1	42	-2.0	-110.17	362.82	5.27	-104.90
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=CC(C(=O)[O-])=C1F	REAL300000532879	1	42	-2.0	-112.37	373.83	5.18	-107.19
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=C1	REAL300000532882	0	39	-2.0	-102.31	360.76	4.65	-97.66
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)C=C1C(=O)[O-]	REAL300000532884	0	42	-2.0	-112.02	370.47	5.12	-106.90
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=C1	REAL300000532885	0	42	-2.0	-117.88	374.01	5.22	-112.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)C=C1C(=O)[O-]	REAL300000532887	1	43	-2.0	-112.52	377.03	4.68	-107.84
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=CC=C1	REAL300000532890	0	39	-2.0	-117.04	352.62	4.49	-112.55
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)C=C1C(=O)[O-]	REAL300000532891	1	42	-2.0	-106.07	373.94	5.21	-100.86
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=C1	REAL300000532892	0	38	-2.0	-111.31	345.21	2.64	-108.67
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2CCC(=O)N2)C=C1	REAL300000532893	0	43	-2.0	-104.97	377.20	4.32	-100.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)=C(Cl)O1	REAL300000532894	0	36	-2.0	-100.99	349.15	3.51	-97.48
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCC(=O)N3)C=C2)C=C(C(=O)[O-])O1	REAL300000532895	0	42	-2.0	-107.33	371.12	4.51	-102.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=CC=C1F	REAL300000532896	1	33	-2.0	-100.03	325.77	5.87	-94.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1	REAL300000532897	1	33	-2.0	-90.33	321.20	5.85	-84.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=C1	REAL300000532898	1	33	-2.0	-102.34	321.23	5.84	-96.50
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC(Cl)=C2C=C1	REAL300000532899	0	37	-2.0	-107.62	349.37	5.64	-101.98
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1	REAL300000532900	1	37	-2.0	-90.07	352.68	7.14	-82.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1C(=O)[O-]	REAL300000532901	1	36	-2.0	-103.41	337.25	6.38	-97.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=C1C	REAL300000532902	1	39	-2.0	-105.26	353.62	7.16	-98.10
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=C1	REAL300000532903	0	33	-2.0	-99.61	326.70	5.91	-93.70
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1	REAL300000532904	1	39	-2.0	-89.25	364.79	7.43	-81.82
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=C1	REAL300000532905	0	30	-2.0	-96.80	314.41	4.87	-91.93
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC(Cl)=C2C=C1	REAL300000532906	1	36	-2.0	-103.37	336.66	6.64	-96.73
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1	REAL300000532907	1	37	-2.0	-88.69	352.30	6.13	-82.56
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1C(=O)[O-]	REAL300000532908	0	34	-2.0	-100.70	327.88	5.20	-95.50
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC(Cl)=C2C=C1	REAL300000532909	1	37	-2.0	-103.87	345.44	4.66	-99.21
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=C1	REAL300000532910	0	33	-2.0	-93.09	330.35	5.53	-87.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1C(=O)[O-]	REAL300000532911	1	39	-2.0	-104.52	352.69	7.17	-97.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=CS1	REAL300000532912	0	30	-2.0	-98.19	312.88	4.90	-93.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1C(=O)[O-]	REAL300000532913	1	37	-2.0	-108.15	348.52	5.91	-102.24
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC(Cl)=C2C=C1	REAL300000532914	1	39	-2.0	-101.88	351.36	7.58	-94.30
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C(C(=O)[O-])O1	REAL300000532915	0	33	-2.0	-96.70	324.24	5.00	-91.70
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=C1	REAL300000532916	0	37	-2.0	-103.37	350.21	4.93	-98.44
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC(Cl)=C2C=C1	REAL300000532917	1	36	-2.0	-94.17	341.94	6.67	-87.50
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C(C(=O)[O-])S1	REAL300000532918	0	33	-2.0	-99.97	329.83	5.75	-94.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C(Cl)=C1	REAL300000532919	0	33	-2.0	-88.00	334.28	6.41	-81.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1F	REAL300000532920	1	33	-2.0	-90.03	325.76	5.88	-84.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)S1	REAL300000532921	0	30	-2.0	-91.96	313.50	4.97	-86.99
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=C1	REAL300000532922	1	33	-2.0	-93.43	327.63	5.92	-87.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=C1F	REAL300000532923	0	36	-2.0	-100.90	346.98	6.54	-94.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C(F)=C1	REAL300000532924	0	33	-2.0	-89.68	326.69	5.92	-83.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1Cl	REAL300000532925	1	33	-2.0	-88.04	333.73	6.25	-81.79
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=C1	REAL300000532926	0	34	-2.0	-102.46	330.94	3.56	-98.90
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=CC=NC(Cl)=C3C=C2)=C1	REAL300000532926	1	34	-2.0	-101.69	320.00	4.45	-97.24
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1	REAL300000532927	1	36	-2.0	-93.67	343.39	6.63	-87.04
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=CC=NC(Cl)=C2C=C1	REAL300000532928	1	36	-2.0	-98.52	331.30	6.48	-92.04
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=CC(C(=O)[O-])=C1F	REAL300000532929	1	36	-2.0	-101.27	346.06	6.51	-94.76
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=CC=NC(Cl)=C2C=C1	REAL300000532930	1	36	-2.0	-90.65	336.64	6.62	-84.03
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=CC(C(=O)[O-])=C1C	REAL300000532931	1	39	-2.0	-106.59	358.03	7.01	-99.58
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=C1	REAL300000532932	0	33	-2.0	-91.37	332.99	5.97	-85.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C(C)=C1C(=O)[O-]	REAL300000532933	1	39	-2.0	-102.62	355.71	7.24	-95.38
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1C(=O)[O-]	REAL300000532934	0	36	-2.0	-101.84	346.54	6.55	-95.29
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=C1	REAL300000532935	0	36	-2.0	-106.91	346.26	6.54	-100.37
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1C(=O)[O-]	REAL300000532936	1	39	-2.0	-104.02	355.46	7.03	-96.99
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1C(=O)[O-]	REAL300000532937	0	37	-2.0	-101.96	349.25	6.07	-95.89
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=CC=C1C(=O)[O-]	REAL300000532938	1	36	-2.0	-90.45	337.23	6.39	-84.06
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=NC(Cl)=C2C=C1	REAL300000532939	1	36	-2.0	-100.96	341.19	6.67	-94.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=C1F	REAL300000532940	0	33	-2.0	-106.23	324.84	5.87	-100.36
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C1C(=O)[O-]	REAL300000532941	1	36	-2.0	-95.06	346.17	6.52	-88.54
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=C1	REAL300000532942	0	32	-2.0	-99.94	317.45	3.98	-95.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=CC=NC(Cl)=C2C=C1	REAL300000532943	0	37	-2.0	-94.32	349.43	5.65	-88.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)=C(Cl)O1	REAL300000532944	0	30	-2.0	-90.54	321.38	4.83	-85.71
CCC1=C(S(=O)(=O)[N-]C2=CC3=CC=NC(Cl)=C3C=C2)C=C(C(=O)[O-])O1	REAL300000532945	0	36	-2.0	-96.56	343.36	5.85	-90.71
O=C([O-])C1=CC(S(=O)(=O)N2CC(=O)NC3=CC=C(O)C=C32)=CC(C(=O)[O-])=C1	REAL300000532969	0	37	-2.0	-114.11	340.85	1.81	-112.30
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC(=O)NC3=CC=C(O)C=C32)=C1	REAL300000532988	0	35	-2.0	-108.68	317.93	0.08	-108.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)=CC=C1F	REAL300000533018	1	37	-2.0	-100.57	349.32	1.20	-99.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)C=C1	REAL300000533019	1	37	-2.0	-90.87	344.77	1.17	-89.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)=CC=C1	REAL300000533020	1	37	-2.0	-102.34	344.80	1.17	-101.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)C=C1C(=O)[O-]	REAL300000533021	1	40	-2.0	-105.05	364.87	1.81	-103.24
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)=C1	REAL300000533022	0	37	-2.0	-99.59	350.26	1.23	-98.36
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)=C1	REAL300000533023	0	34	-2.0	-97.05	337.97	0.19	-96.86
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC(=O)CO2)C=C1	REAL300000533024	1	40	-2.0	-103.50	360.22	1.95	-101.55
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)C=C1C(=O)[O-]	REAL300000533025	0	38	-2.0	-100.97	351.44	0.52	-100.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)=C1	REAL300000533026	0	37	-2.0	-93.56	353.92	0.85	-92.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)=CS1	REAL300000533027	0	34	-2.0	-98.38	336.43	0.21	-98.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)C=C(C(=O)[O-])O1	REAL300000533028	0	37	-2.0	-97.12	347.82	0.31	-96.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)C=C(C(=O)[O-])S1	REAL300000533029	0	37	-2.0	-100.23	353.38	1.06	-99.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)C=C1F	REAL300000533030	1	37	-2.0	-90.63	349.32	1.21	-89.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)S1	REAL300000533031	0	34	-2.0	-92.47	337.05	0.30	-92.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)=CC(F)=C1	REAL300000533032	1	37	-2.0	-93.58	351.19	1.23	-92.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)C(F)=C1	REAL300000533033	0	37	-2.0	-90.04	350.25	1.24	-88.80
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)=C1	REAL300000533034	0	38	-2.0	-102.46	354.50	-1.12	-103.58
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=NNC(=O)CO3)C=C2)=C1	REAL300000533034	1	38	-2.0	-102.83	353.71	-0.33	-103.16
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)C=C1	REAL300000533035	1	40	-2.0	-93.97	366.95	1.95	-92.02
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC(=O)CO2)C=C1	REAL300000533036	1	40	-2.0	-100.00	358.61	1.90	-98.10
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NNC(=O)CO2)C=C1	REAL300000533037	1	40	-2.0	-91.20	360.20	1.95	-89.25
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)C=C1C(=O)[O-]	REAL300000533038	0	41	-2.0	-102.16	372.81	1.39	-100.77
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)=CC=C1C(=O)[O-]	REAL300000533039	1	40	-2.0	-90.95	360.79	1.71	-89.24
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)=CC=C1	REAL300000533040	0	37	-2.0	-106.58	348.40	1.19	-105.39
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)=C1	REAL300000533041	0	36	-2.0	-100.16	340.99	-0.71	-100.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)=C(Cl)O1	REAL300000533042	0	34	-2.0	-91.02	344.94	0.14	-90.88
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC(=O)CO3)C=C2)C=C(C(=O)[O-])O1	REAL300000533043	0	40	-2.0	-96.95	366.91	1.16	-95.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=CC=C1F	REAL300000533044	1	35	-2.0	-110.22	323.89	4.89	-105.33
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=CC(O)=C21	REAL300000533045	0	43	-2.0	-108.69	378.98	5.95	-102.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1	REAL300000533046	1	35	-2.0	-98.76	319.35	4.87	-93.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1	REAL300000533047	1	35	-2.0	-110.20	319.36	4.86	-105.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=CC(O)=C21	REAL300000533048	0	39	-2.0	-115.91	347.50	4.66	-111.25
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1	REAL300000533049	1	39	-2.0	-98.32	350.80	6.17	-92.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1C(=O)[O-]	REAL300000533050	1	38	-2.0	-111.37	335.39	5.40	-105.97
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1	REAL300000533051	0	35	-2.0	-105.92	332.43	5.45	-100.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=CC=C1Cl	REAL300000533052	1	35	-2.0	-108.64	331.86	5.26	-103.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1C	REAL300000533053	1	41	-2.0	-112.62	352.47	6.20	-106.42
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1	REAL300000533054	0	35	-2.0	-108.45	324.83	4.93	-103.52
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1	REAL300000533055	1	41	-2.0	-97.39	362.93	6.47	-90.92
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1	REAL300000533056	0	32	-2.0	-104.84	312.55	3.89	-100.95
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=CC(O)=C21	REAL300000533057	1	38	-2.0	-110.78	334.79	5.65	-105.13
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1	REAL300000533058	1	39	-2.0	-96.77	350.43	5.16	-91.61
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1C(=O)[O-]	REAL300000533059	0	36	-2.0	-108.58	326.01	4.22	-104.36
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=CC(O)=C21	REAL300000533060	1	39	-2.0	-111.40	343.14	3.70	-107.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1	REAL300000533061	0	35	-2.0	-102.40	328.47	4.56	-97.84
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1C(=O)[O-]	REAL300000533062	1	41	-2.0	-113.28	354.81	6.29	-106.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=CS1	REAL300000533063	0	32	-2.0	-106.08	311.01	3.90	-102.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1C(=O)[O-]	REAL300000533064	1	39	-2.0	-118.87	346.65	4.94	-113.93
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1	REAL300000533065	1	45	-2.0	-114.78	374.59	7.49	-107.29
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=CC(O)=C21	REAL300000533066	1	44	-2.0	-112.39	372.06	6.91	-105.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=CC(O)=C21	REAL300000533067	1	41	-2.0	-107.87	344.66	6.68	-101.19
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=CC(O)=C21	REAL300000533068	0	42	-2.0	-115.76	369.79	5.43	-110.33
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=CC=CC(O)=C32)=CC(C(=O)[O-])=C1	REAL300000533069	0	38	-2.0	-113.45	345.45	5.58	-107.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=CC(C(=O)[O-])=C1	REAL300000533069	1	37	-3.0	-188.70	347.76	5.43	-183.27
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1	REAL300000533070	1	42	-2.0	-118.37	363.61	6.76	-111.61
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C(C(=O)[O-])O1	REAL300000533071	0	35	-2.0	-104.05	322.37	4.01	-100.04
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1	REAL300000533072	0	39	-2.0	-113.23	348.28	3.95	-109.28
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CC=CC(O)=C43)C=C2C1	REAL300000533073	1	43	-2.0	-96.63	372.27	5.48	-91.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C(Cl)C=C1F	REAL300000533074	0	35	-2.0	-102.38	336.95	5.46	-96.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=CC=C1OCC(=O)[O-]	REAL300000533075	1	42	-2.0	-97.26	370.51	5.87	-91.39
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=CC(O)=C21	REAL300000533076	0	38	-2.0	-101.57	340.07	5.69	-95.88
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1F	REAL300000533077	1	39	-2.0	-96.41	356.65	5.21	-91.20
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1C(=O)[O-]	REAL300000533078	1	42	-2.0	-116.56	368.49	5.84	-110.72
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C(C(=O)[O-])S1	REAL300000533079	0	35	-2.0	-107.39	327.98	4.76	-102.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C(Cl)=C1	REAL300000533080	0	35	-2.0	-95.80	332.41	5.44	-90.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1F	REAL300000533081	0	35	-2.0	-98.44	323.87	4.90	-93.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)S1	REAL300000533082	0	32	-2.0	-101.04	311.61	4.00	-97.04
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1	REAL300000533083	0	35	-2.0	-103.38	325.77	4.94	-98.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1F	REAL300000533084	0	38	-2.0	-109.93	345.11	5.56	-104.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C(F)=C1	REAL300000533085	0	35	-2.0	-98.54	324.82	4.94	-93.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1Cl	REAL300000533086	1	35	-2.0	-96.42	331.84	5.27	-91.15
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=CC(O)=C21	REAL300000533087	0	38	-2.0	-103.21	348.80	6.08	-97.13
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1	REAL300000533088	0	43	-2.0	-94.72	383.09	6.29	-88.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=CC(F)=C1F	REAL300000533089	0	35	-2.0	-99.25	330.18	4.96	-94.29
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1	REAL300000533090	0	37	-2.0	-97.29	347.55	5.53	-91.76
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1	REAL300000533091	0	36	-2.0	-109.84	329.07	2.58	-107.26
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1	REAL300000533092	1	38	-2.0	-102.60	341.54	5.66	-96.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=CC(Cl)=C1F	REAL300000533093	1	35	-2.0	-100.64	340.06	5.40	-95.24
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CC=CC(O)=C21	REAL300000533094	1	38	-2.0	-109.10	333.18	5.61	-103.49
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=CC(C(=O)[O-])=C1F	REAL300000533095	1	38	-2.0	-111.61	344.19	5.52	-106.09
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CC=CC(O)=C21	REAL300000533096	1	38	-2.0	-98.15	334.77	5.64	-92.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=CC(C(=O)[O-])=C1C	REAL300000533097	1	41	-2.0	-113.40	352.23	5.93	-107.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=CC=C1[N+](=O)[O-]	REAL300000533098	0	37	-2.0	-106.59	343.57	5.98	-100.61
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1	REAL300000533099	0	35	-2.0	-100.27	331.09	4.99	-95.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C(C)=C1C(=O)[O-]	REAL300000533100	1	41	-2.0	-112.38	353.37	6.26	-106.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1C(=O)[O-]	REAL300000533101	0	38	-2.0	-109.58	340.83	5.47	-104.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1Cl	REAL300000533102	0	38	-2.0	-107.71	351.14	6.00	-101.71
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1	REAL300000533103	0	38	-2.0	-117.71	344.39	5.57	-112.14
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1C(=O)[O-]	REAL300000533104	1	41	-2.0	-115.06	353.59	6.05	-109.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1CC(=O)[O-]	REAL300000533105	1	42	-2.0	-112.07	369.82	5.00	-107.07
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=CC(O)=C21	REAL300000533106	0	38	-2.0	-101.28	345.63	6.04	-95.24
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=CC(C(=O)[O-])=C1Cl	REAL300000533107	1	38	-2.0	-110.45	350.58	5.82	-104.63
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1C(=O)[O-]	REAL300000533108	0	39	-2.0	-109.88	347.38	5.08	-104.80
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C(C)=C1CC(=O)[O-]	REAL300000533109	1	47	-2.0	-111.99	383.76	7.71	-104.28
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1C(=O)[O-]	REAL300000533110	1	38	-2.0	-103.76	349.22	5.84	-97.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=CC=C1C(=O)[O-]	REAL300000533111	1	38	-2.0	-98.82	335.36	5.41	-93.41
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=CC(O)=C21	REAL300000533112	1	38	-2.0	-107.88	339.31	5.68	-102.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1[N+](=O)[O-]	REAL300000533113	0	37	-2.0	-119.48	343.08	6.72	-112.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1F	REAL300000533114	0	35	-2.0	-116.92	323.00	4.89	-112.03
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C1C(=O)[O-]	REAL300000533115	0	38	-2.0	-102.14	340.52	5.45	-96.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=CC2=CC=CC=C21	REAL300000533116	0	41	-2.0	-121.44	360.40	6.99	-114.45
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C1	REAL300000533117	0	34	-2.0	-110.41	315.57	2.99	-107.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CC=CC(O)=C21	REAL300000533118	0	39	-2.0	-102.52	347.56	4.66	-97.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)=C(Cl)O1	REAL300000533119	0	32	-2.0	-99.76	319.46	3.84	-95.92
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CC=CC(O)=C43)C=C2)CC1	REAL300000533120	1	42	-2.0	-104.63	365.48	6.75	-97.88
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=CC=CC(O)=C43)C=C2C1	REAL300000533121	0	42	-2.0	-108.60	364.81	6.76	-101.84
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC=CC(O)=C32)C=C(C(=O)[O-])O1	REAL300000533122	0	38	-2.0	-102.82	337.39	4.97	-97.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)=CC=C1F	REAL300000533123	1	34	-2.0	-100.04	334.43	6.82	-93.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)C=C1	REAL300000533124	1	34	-2.0	-90.43	329.87	6.79	-83.64
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)=C1	REAL300000533125	1	34	-2.0	-102.33	329.90	6.79	-95.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000533126	1	37	-2.0	-103.69	345.91	7.32	-96.37
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)=C1	REAL300000533127	0	34	-2.0	-99.80	335.37	6.85	-92.95
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)=C1	REAL300000533128	0	31	-2.0	-97.00	323.04	5.79	-91.21
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)C(F)(F)F)=C1	REAL300000533129	1	37	-2.0	-103.72	345.29	7.56	-96.16
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000533130	0	35	-2.0	-101.01	336.47	6.11	-94.90
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)=C1	REAL300000533131	0	34	-2.0	-93.15	338.97	6.45	-86.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)=CS1	REAL300000533132	0	31	-2.0	-98.41	321.48	5.80	-92.61
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000533133	0	34	-2.0	-96.88	332.90	5.92	-90.96
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000533134	1	34	-2.0	-100.27	339.56	6.66	-93.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)C=C1F	REAL300000533135	1	34	-2.0	-89.96	334.41	6.83	-83.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)S1	REAL300000533136	0	31	-2.0	-91.95	322.14	5.90	-86.05
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)=C1	REAL300000533137	1	34	-2.0	-93.45	336.27	6.85	-86.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)C(F)=C1	REAL300000533138	0	34	-2.0	-89.64	335.29	6.84	-82.80
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)=C1	REAL300000533139	0	35	-2.0	-102.79	339.57	4.49	-98.30
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(F)C(F)(F)F)=C2)=C1	REAL300000533139	1	35	-2.0	-102.21	338.67	5.36	-96.85
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)C=C1	REAL300000533140	1	37	-2.0	-93.98	352.00	7.55	-86.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(F)C(F)(F)F)=C1	REAL300000533141	1	37	-2.0	-98.56	339.93	7.42	-91.14
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000533143	0	38	-2.0	-102.10	358.00	6.99	-95.11
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000533144	1	37	-2.0	-90.53	345.90	7.33	-83.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)=C1F	REAL300000533145	0	34	-2.0	-106.24	333.52	6.81	-99.43
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)=C1	REAL300000533146	0	33	-2.0	-100.02	326.85	4.83	-95.19
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000533147	0	37	-2.0	-96.83	352.03	6.77	-90.06
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000533148	1	39	-2.0	-86.15	369.10	2.05	-84.10
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(O)C=C1C	REAL300000533150	0	40	-2.0	-103.65	372.27	4.55	-99.10
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C([O-])C=C1C	REAL300000533150	1	39	-3.0	-180.17	368.70	5.31	-174.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(O)C=C1C	REAL300000533153	0	36	-2.0	-110.35	340.79	3.26	-107.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C([O-])C=C1C	REAL300000533153	1	35	-3.0	-187.97	337.22	4.02	-183.95
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000533156	0	32	-2.0	-100.53	325.72	4.04	-96.49
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000533159	0	32	-2.0	-102.10	318.12	3.53	-98.57
CC1=CC([O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000533159	1	31	-3.0	-178.76	314.56	4.29	-174.47
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000533161	0	29	-2.0	-98.97	305.84	2.48	-96.49
CC1=CC([O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000533161	1	28	-3.0	-173.54	302.26	3.24	-170.30
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000533164	1	33	-2.0	-103.12	319.29	2.82	-100.30
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=C(O)C=C2C)=C1	REAL300000533166	0	32	-2.0	-95.32	321.76	3.15	-92.17
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2C)=C1	REAL300000533166	1	31	-3.0	-168.61	318.21	3.91	-164.70
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000533168	1	29	-2.0	-100.30	304.30	2.50	-97.80
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(O)C=C1C	REAL300000533173	0	39	-2.0	-110.00	363.08	4.03	-105.97
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C([O-])C=C1C	REAL300000533173	1	38	-3.0	-189.69	359.51	4.79	-184.90
CC1=CC(O)=C(Cl)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000533174	0	35	-2.0	-108.32	339.56	3.97	-104.35
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(O)C=C2C)C=C(C(=O)[O-])O1	REAL300000533176	0	32	-2.0	-99.11	315.65	2.60	-96.51
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000533176	1	31	-3.0	-172.25	312.09	3.36	-168.89
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C(O)C=C2C)=C1	REAL300000533178	0	36	-2.0	-104.79	341.57	2.55	-102.24
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2C)=C1	REAL300000533178	1	35	-3.0	-182.31	338.04	3.31	-179.00
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000533180	0	32	-2.0	-97.44	330.24	4.05	-93.39
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(O)C=C2C)C=C(C(=O)[O-])S1	REAL300000533185	1	32	-2.0	-102.36	322.34	3.35	-99.01
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000533186	1	32	-2.0	-89.93	325.70	4.03	-85.90
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000533188	0	29	-2.0	-94.22	304.91	2.59	-91.63
CC1=CC([O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000533188	1	28	-3.0	-167.29	301.33	3.35	-163.94
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000533189	1	32	-2.0	-95.28	319.06	3.54	-91.74
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000533190	0	35	-2.0	-103.52	338.41	4.17	-99.35
CC1=CC([O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000533190	1	34	-3.0	-180.46	334.82	4.93	-175.53
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000533191	0	32	-2.0	-91.72	318.11	3.53	-88.19
CC1=CC([O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000533191	1	31	-3.0	-165.17	314.54	4.29	-160.88
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000533196	1	34	-2.0	-89.60	340.84	4.12	-85.48
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000533205	0	32	-2.0	-94.04	324.38	3.59	-90.45
CC1=CC([O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000533205	1	31	-3.0	-169.23	320.81	4.35	-164.88
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000533207	0	35	-2.0	-104.42	337.96	4.16	-100.26
CC1=CC([O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000533207	1	34	-3.0	-180.39	330.56	4.81	-175.58
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000533208	0	35	-2.0	-102.29	344.41	4.60	-97.69
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C(O)C=C2C)=C1	REAL300000533209	0	35	-2.0	-108.74	337.68	4.16	-104.58
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2C)=C1	REAL300000533209	1	34	-3.0	-186.15	334.11	4.91	-181.24
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(O)C=C2C)C=C1C(=O)[O-]	REAL300000533214	1	36	-2.0	-104.40	340.59	3.67	-100.73
CC1=CC([O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000533219	0	33	-3.0	-188.71	332.81	6.07	-182.64
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000533219	1	34	-2.0	-111.09	336.37	5.31	-105.78
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000533220	0	32	-2.0	-108.02	316.28	3.49	-104.53
CC1=CC([O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000533220	1	31	-3.0	-185.18	312.72	4.25	-180.93
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000533223	0	31	-2.0	-102.54	309.62	1.53	-101.01
CC1=CC([O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000533223	1	30	-3.0	-178.58	305.29	2.34	-176.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(O)C=C1C	REAL300000533224	0	36	-2.0	-96.52	340.85	3.26	-93.26
CC1=CC(O)=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000533225	0	29	-2.0	-92.90	312.75	2.44	-90.46
CC1=CC([O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000533225	1	28	-3.0	-165.79	309.19	3.20	-162.59
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(O)C=C2C)C=C(C(=O)[O-])O1	REAL300000533228	0	35	-2.0	-99.05	334.77	3.45	-95.60
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C([O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000533228	1	34	-3.0	-172.57	329.21	4.14	-168.43
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533229	1	39	-2.0	-118.01	356.46	5.91	-112.10
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(F)C=CC=C3F)C=C21	REAL300000533232	0	33	-2.0	-121.99	310.97	5.56	-116.43
O=C([O-])C1=CC=NC2=CC=C(NS(=O)(=O)C3=CC=C([O-])C([N+](=O)[O-])=C3)C=C21	REAL300000533233	0	36	-2.0	-108.81	342.44	4.86	-103.95
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)N=C3)C=C21	REAL300000533234	0	32	-2.0	-105.15	314.32	3.91	-101.24
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533235	1	34	-2.0	-110.90	322.51	5.65	-105.25
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533236	1	34	-2.0	-106.69	322.50	5.65	-101.04
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C=C3F)C=C21	REAL300000533237	0	33	-2.0	-111.65	324.69	5.86	-105.79
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533238	0	34	-2.0	-122.95	319.78	5.55	-117.40
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CC=C1F	REAL300000533239	0	36	-2.0	-114.74	341.18	5.73	-109.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CC=C1F	REAL300000533239	1	35	-3.0	-184.33	334.69	5.85	-178.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1[N+](=O)[O-]	REAL300000533241	1	38	-2.0	-113.01	345.98	6.46	-106.55
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533242	0	36	-2.0	-109.77	317.88	3.10	-106.67
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(F)(F)F)C=C3)C=C21	REAL300000533243	1	36	-2.0	-106.40	341.22	6.28	-100.12
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C4CCCCC4=C3)C=C21	REAL300000533244	1	43	-2.0	-116.73	365.18	7.77	-108.96
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533245	0	36	-2.0	-113.89	336.84	5.69	-108.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533245	1	35	-3.0	-172.98	330.13	5.82	-167.16
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533246	0	41	-2.0	-122.37	359.42	4.33	-118.04
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1OC	REAL300000533247	1	41	-2.0	-113.39	360.41	4.46	-108.93
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C4CCCC4=C3)C=C21	REAL300000533248	1	40	-2.0	-116.86	347.98	7.18	-109.68
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533249	0	35	-2.0	-105.34	314.87	4.22	-101.12
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(Cl)=C3)C=C21	REAL300000533250	1	33	-2.0	-105.53	334.40	6.25	-99.28
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533251	0	36	-2.0	-118.83	336.64	5.70	-113.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533251	1	35	-3.0	-187.92	330.14	5.82	-182.10
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(F)=C3)C=C21	REAL300000533252	1	33	-2.0	-104.58	315.18	5.40	-99.18
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=CC=C3Cl)C=C21	REAL300000533253	0	33	-2.0	-110.27	332.32	6.36	-103.91
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(F)(F)F)=C3)C=C21	REAL300000533254	1	36	-2.0	-110.63	341.19	6.28	-104.35
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533255	1	36	-2.0	-115.78	323.08	5.92	-109.86
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3C(F)(F)F)C=C21	REAL300000533257	0	36	-2.0	-117.84	328.33	6.66	-111.18
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(Cl)=C3)C=C21	REAL300000533258	1	33	-2.0	-111.04	319.19	5.79	-105.25
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533259	1	38	-2.0	-113.33	342.93	5.67	-107.66
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533260	1	39	-2.0	-115.06	338.57	6.71	-108.35
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1C	REAL300000533261	1	39	-2.0	-116.79	340.09	6.46	-110.33
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(Cl)=C3)C=C21	REAL300000533262	1	33	-2.0	-104.80	325.07	5.84	-98.96
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533263	1	38	-2.0	-124.80	344.45	5.74	-119.06
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533265	0	39	-2.0	-127.76	346.96	6.67	-121.09
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(Cl)=C3Cl)C=C21	REAL300000533266	0	33	-2.0	-112.96	330.79	6.30	-106.66
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533267	1	45	-2.0	-114.54	377.89	7.58	-106.96
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533268	1	42	-2.0	-114.46	361.91	7.19	-107.27
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533269	1	45	-2.0	-114.28	380.36	7.85	-106.43
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533270	0	40	-2.0	-108.47	368.25	7.00	-101.47
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533270	1	39	-3.0	-171.49	361.60	7.11	-164.38
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(Cl)C=CC=C3Cl)C=C21	REAL300000533271	0	33	-2.0	-115.27	326.07	6.60	-108.67
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)S3)C=C21	REAL300000533272	0	30	-2.0	-106.97	311.45	4.89	-102.08
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533273	1	42	-2.0	-114.14	366.07	7.48	-106.66
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533274	0	37	-2.0	-121.39	329.92	5.05	-116.34
CC1=CC=C(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000533275	0	39	-2.0	-113.37	348.85	6.34	-107.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000533275	1	38	-3.0	-189.75	346.23	6.36	-183.39
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(F)=C3F)C=C21	REAL300000533276	0	33	-2.0	-110.10	320.53	5.46	-104.64
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3)C=C21	REAL300000533277	1	33	-2.0	-105.87	335.92	6.30	-99.57
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3Cl)C=C21	REAL300000533278	0	33	-2.0	-115.55	315.60	5.84	-109.71
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC([N+](=O)[O-])=C3)C=C21	REAL300000533279	0	35	-2.0	-111.59	330.68	5.95	-105.64
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533280	1	38	-2.0	-109.22	345.39	6.71	-102.51
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C21	REAL300000533281	0	30	-2.0	-112.69	294.39	4.28	-108.41
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C=C21	REAL300000533283	0	35	-2.0	-127.66	321.00	6.67	-120.99
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533284	1	36	-2.0	-115.17	323.09	5.93	-109.24
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3F)C=C21	REAL300000533286	0	33	-2.0	-110.90	314.37	5.40	-105.50
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(F)=C3)C=C21	REAL300000533287	1	33	-2.0	-111.22	308.87	5.34	-105.88
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(F)=C3)C=C21	REAL300000533288	0	33	-2.0	-105.19	315.28	5.41	-99.78
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C4OCCOC4=C3)C=C21	REAL300000533290	1	39	-2.0	-115.10	346.95	4.43	-110.67
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533292	1	48	-2.0	-116.11	393.37	8.36	-107.75
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C=C3)C=C21	REAL300000533293	1	33	-2.0	-108.01	319.20	5.79	-102.22
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3)C=C21	REAL300000533294	0	35	-2.0	-102.85	330.69	5.95	-96.90
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C21	REAL300000533295	1	33	-2.0	-114.70	302.46	5.27	-109.43
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533296	1	40	-2.0	-119.59	358.22	4.14	-115.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533297	0	33	-2.0	-114.01	315.49	5.06	-108.95
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533298	0	37	-2.0	-114.29	346.66	5.57	-108.72
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533299	0	35	-3.0	-182.62	335.63	5.88	-176.74
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533300	1	48	-2.0	-113.96	405.14	8.77	-105.19
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533301	1	38	-2.0	-111.14	339.48	6.57	-104.57
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC=C3F)C=C21	REAL300000533302	0	33	-2.0	-113.51	314.37	5.41	-108.10
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533303	1	43	-2.0	-119.28	378.53	4.96	-114.32
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C4NC(=O)NC4=C3)C=C21	REAL300000533304	1	37	-2.0	-109.75	338.20	2.09	-107.66
CSC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533305	1	37	-2.0	-112.60	341.88	6.28	-106.32
O=C([O-])C1=C2C=C([N-]S(=O)(=O)C3=CC=C4NC(=O)CC4=C3)C=CC2=NC=C1	REAL300000533306	1	38	-2.0	-110.91	343.69	3.72	-107.19
O=C([O-])C1=C2C=C([N-]S(=O)(=O)C3=CC=C4NC(=O)CCC4=C3)C=CC2=NC=C1	REAL300000533307	1	41	-2.0	-112.31	361.50	4.44	-107.87
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533309	0	32	-3.0	-180.85	323.33	4.84	-176.01
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C4NC(=O)OC4=C3)C=C21	REAL300000533310	1	36	-2.0	-109.29	334.21	2.78	-106.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533312	0	39	-2.0	-104.42	345.21	6.16	-98.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533312	1	38	-3.0	-184.54	345.57	6.61	-177.93
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533313	0	39	-2.0	-113.47	338.37	4.30	-109.17
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533314	1	39	-2.0	-109.57	356.45	5.92	-103.65
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533315	1	40	-2.0	-113.80	358.12	3.54	-110.26
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533316	1	37	-2.0	-113.63	336.19	2.04	-111.59
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533317	1	39	-2.0	-114.77	344.58	6.70	-108.07
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C=C21	REAL300000533318	1	39	-2.0	-117.74	348.42	7.55	-110.19
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=CS1	REAL300000533319	0	36	-2.0	-124.03	341.26	5.57	-118.46
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533320	1	43	-2.0	-113.63	378.25	5.77	-107.86
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533322	1	45	-2.0	-114.41	382.84	7.94	-106.47
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3)C=C21	REAL300000533323	1	33	-2.0	-107.30	308.87	5.34	-101.96
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3F)C=C21	REAL300000533324	0	33	-2.0	-119.46	307.96	5.34	-114.12
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C4=NC=CC=C34)C=C21	REAL300000533325	1	38	-2.0	-110.38	344.84	5.78	-104.60
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533326	0	39	-2.0	-127.73	354.54	3.85	-123.88
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)=C2N=C1	REAL300000533327	0	41	-2.0	-131.43	363.04	6.54	-124.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(Cl)=C1	REAL300000533329	0	36	-2.0	-115.59	336.22	6.49	-109.10
O=C([O-])C1=C2C=C([N-]S(=O)(=O)C3=CC=C4OCC(=O)NC4=C3)C=CC2=NC=C1	REAL300000533330	1	39	-2.0	-110.39	352.40	2.48	-107.91
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)=CC=C21	REAL300000533331	1	41	-2.0	-111.22	364.97	5.72	-105.50
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C4OC(=O)C=CC4=C3)C=C21	REAL300000533332	1	38	-2.0	-107.92	350.15	6.78	-101.14
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)=CC=C21	REAL300000533333	1	39	-2.0	-110.98	355.80	5.22	-105.76
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3Cl)C=C21	REAL300000533335	0	33	-2.0	-107.52	321.99	5.91	-101.61
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000533337	0	36	-3.0	-185.64	336.79	5.17	-180.47
CN1C=C(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000533337	1	37	-2.0	-119.60	343.21	5.03	-114.57
CN1C=NC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1Cl	REAL300000533338	0	33	-2.0	-123.13	320.22	4.77	-118.36
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1C(N)=O	REAL300000533339	0	38	-2.0	-112.64	343.42	1.42	-111.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1Cl	REAL300000533340	1	37	-2.0	-110.94	347.20	5.12	-105.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1F	REAL300000533341	1	37	-2.0	-110.85	337.40	4.63	-106.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1C(N)=O	REAL300000533344	1	40	-2.0	-109.41	352.26	2.71	-106.70
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533345	0	33	-2.0	-111.51	306.23	2.97	-108.54
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533346	0	38	-2.0	-102.23	345.39	6.71	-95.52
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CN1C	REAL300000533348	0	41	-2.0	-113.46	366.03	2.90	-110.56
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533349	1	36	-2.0	-110.13	333.89	6.56	-103.57
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533352	0	35	-3.0	-176.45	339.25	5.50	-170.95
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1Cl	REAL300000533353	1	34	-2.0	-103.72	337.90	6.06	-97.66
N#CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CC=C1Cl	REAL300000533354	1	34	-2.0	-104.33	337.93	6.06	-98.27
O=C([O-])C1=C2C=C([N-]S(=O)(=O)C3=CC=C4COC(=O)C4=C3)C=CC2=NC=C1	REAL300000533355	1	37	-2.0	-119.09	340.05	5.63	-113.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1Cl	REAL300000533356	1	36	-2.0	-112.06	337.15	6.37	-105.69
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(Cl)=C3F)C=C21	REAL300000533357	0	33	-2.0	-116.56	324.15	5.84	-110.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1F	REAL300000533358	1	36	-2.0	-111.90	328.41	5.97	-105.93
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533359	1	36	-2.0	-107.58	333.89	6.55	-101.03
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533360	0	36	-2.0	-119.97	328.59	5.99	-113.98
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533361	1	36	-2.0	-110.08	323.56	6.11	-103.97
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCCl)C=C3)C=C21	REAL300000533362	1	39	-2.0	-113.08	362.51	7.34	-105.74
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533363	0	38	-2.0	-126.14	339.84	7.62	-118.52
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533364	1	43	-2.0	-125.50	373.80	5.13	-120.37
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533365	0	41	-2.0	-131.46	362.94	6.55	-124.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CS1	REAL300000533366	0	32	-3.0	-182.72	321.80	4.87	-177.85
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CS1	REAL300000533366	1	33	-2.0	-114.73	328.47	4.72	-110.01
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C2=CC=CN=C2C=C1	REAL300000533367	1	41	-2.0	-115.84	351.65	6.64	-109.20
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC=C3[N+](=O)[O-])C=C21	REAL300000533368	0	35	-2.0	-119.63	329.95	6.77	-112.86
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(F)=C3[N+](=O)[O-])C=C21	REAL300000533369	0	35	-2.0	-124.11	335.87	6.66	-117.45
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533372	0	37	-2.0	-115.28	332.88	3.62	-111.66
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533372	1	37	-2.0	-114.46	331.99	4.47	-109.99
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CNN=C3)C=C21	REAL300000533373	0	30	-2.0	-108.64	284.04	1.69	-106.95
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533374	0	36	-2.0	-107.70	349.56	5.02	-102.68
O=C([O-])C1=C2C=C([N-]S(=O)(=O)C3=CC=CC4=C3COC4=O)C=CC2=NC=C1	REAL300000533375	1	37	-2.0	-106.86	339.45	5.64	-101.22
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(F)C=C(F)C=C3F)C=C21	REAL300000533376	0	33	-2.0	-111.67	317.38	5.63	-106.04
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C(C(=O)[O-])O1	REAL300000533377	0	35	-3.0	-176.98	333.16	4.97	-172.01
CC1=C(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C(C(=O)[O-])O1	REAL300000533377	1	36	-2.0	-102.83	335.70	4.93	-97.90
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=C4NC=CC=C34)C=C21	REAL300000533378	0	36	-2.0	-134.31	330.65	4.48	-129.83
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533379	0	43	-2.0	-123.35	373.21	6.64	-116.71
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(N4C=NN=N4)=C3)C=C21	REAL300000533380	1	38	-2.0	-124.14	350.73	5.45	-118.69
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(F)C=CC=C3[N+](=O)[O-])C=C21	REAL300000533381	0	35	-2.0	-129.85	328.59	6.90	-122.95
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN(C4=CC=CC=C4)N=C3)C=C21	REAL300000533382	0	40	-2.0	-113.28	363.03	6.39	-106.89
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=CC(F)=C3)C=C21	REAL300000533383	0	32	-2.0	-105.39	303.87	3.56	-101.83
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533384	0	36	-2.0	-113.12	349.73	4.92	-108.20
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC4=NC=CC=C34)C=C21	REAL300000533385	1	38	-2.0	-115.89	338.63	5.70	-110.19
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)N=C3Cl)C=C21	REAL300000533386	0	32	-2.0	-107.00	327.61	4.41	-102.59
CN1C=NC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533387	0	33	-2.0	-125.07	305.86	4.35	-120.72
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)C=C12	REAL300000533389	1	41	-2.0	-109.50	367.99	4.99	-104.51
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)C=C12	REAL300000533390	0	37	-2.0	-105.11	341.43	2.24	-102.87
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533391	0	33	-2.0	-103.46	317.64	3.78	-99.68
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(F)=C3F)C=C21	REAL300000533392	0	33	-2.0	-117.75	314.26	5.40	-112.35
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(F)=C1	REAL300000533393	0	37	-2.0	-117.44	339.67	4.85	-112.59
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC4=C3OCCO4)C=C21	REAL300000533394	0	39	-2.0	-120.24	345.60	4.93	-115.31
CC1=NC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CN1C	REAL300000533395	0	36	-2.0	-123.95	325.21	4.16	-119.79
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3OC(F)F)C=C21	REAL300000533396	0	37	-2.0	-116.62	340.48	5.32	-111.30
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533397	0	36	-2.0	-111.97	327.76	3.82	-108.15
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533398	1	40	-2.0	-116.28	356.74	4.98	-111.30
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C4COCC4=C3)C=C21	REAL300000533399	1	38	-2.0	-113.40	338.43	4.57	-108.83
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC=C3Cl)C=C21	REAL300000533400	0	33	-2.0	-110.12	321.99	5.91	-104.21
O=C([O-])C1=C2C=C([N-]S(=O)(=O)C3=CC=C4C(=O)NC(=O)C4=C3)C=CC2=NC=C1	REAL300000533403	1	37	-2.0	-107.74	345.98	2.11	-105.63
CC1=NNC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533404	0	33	-2.0	-109.60	302.08	2.31	-107.29
COC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533405	1	37	-2.0	-116.75	331.17	4.56	-112.19
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533406	1	36	-2.0	-114.19	317.16	6.04	-108.15
CN1C=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=N1	REAL300000533407	0	33	-2.0	-120.41	306.52	2.80	-117.61
CN1N=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533408	0	33	-2.0	-106.98	301.93	2.89	-104.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(F)=C1	REAL300000533414	0	36	-2.0	-119.38	328.59	6.00	-113.38
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CC=C1F	REAL300000533415	1	36	-2.0	-108.12	328.41	5.96	-102.16
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CNC=N3)C=C21	REAL300000533416	0	30	-2.0	-122.84	283.93	2.66	-120.18
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)O1	REAL300000533417	0	36	-2.0	-108.72	341.22	4.06	-104.66
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC4=CC=CN=C43)C=C21	REAL300000533418	0	38	-2.0	-131.03	342.37	5.91	-125.12
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C=C3F)C=C21	REAL300000533419	0	33	-2.0	-105.45	320.64	5.46	-99.99
CC1=C(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C(C(=O)[O-])S1	REAL300000533420	0	36	-2.0	-101.68	341.41	5.70	-95.98
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C(C(=O)[O-])S1	REAL300000533420	1	35	-3.0	-180.59	338.75	5.73	-174.86
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533421	0	37	-2.0	-115.96	344.29	5.12	-110.84
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CN=C1Cl	REAL300000533422	0	35	-2.0	-106.20	332.33	4.48	-101.72
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533423	0	39	-2.0	-125.32	359.84	2.85	-122.47
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533426	0	45	-2.0	-114.24	380.85	5.87	-108.37
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)SC=C1	REAL300000533427	0	33	-2.0	-115.72	312.42	4.90	-110.82
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1C	REAL300000533428	0	42	-2.0	-113.49	361.11	5.21	-108.28
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CC=C1[N+](=O)[O-]	REAL300000533429	0	38	-2.0	-103.72	345.98	6.45	-97.27
O=C([O-])C1=C2C=C([N-]S(=O)(=O)C3=CC=C4CCNC(=O)C4=C3)C=CC2=NC=C1	REAL300000533432	1	41	-2.0	-127.44	361.27	3.71	-123.73
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533433	1	37	-2.0	-109.28	337.94	6.43	-102.85
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533434	1	45	-2.0	-114.93	359.03	7.93	-107.00
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CC=C1C	REAL300000533435	1	43	-2.0	-134.10	376.28	5.06	-129.04
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533436	0	37	-2.0	-116.22	339.36	5.72	-110.50
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533437	1	37	-2.0	-106.05	337.93	6.42	-99.63
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533438	1	45	-2.0	-112.57	363.00	8.77	-103.80
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(F)=C1	REAL300000533440	0	34	-2.0	-110.34	327.98	5.71	-104.63
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)C=C2O1	REAL300000533441	1	38	-2.0	-112.70	345.33	2.92	-109.78
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533442	0	39	-2.0	-112.00	346.45	4.35	-107.65
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CN=C4C=C3)C=C21	REAL300000533443	1	38	-2.0	-115.40	343.44	5.66	-109.74
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533444	0	39	-2.0	-119.39	361.03	4.03	-115.36
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CN1	REAL300000533445	0	39	-2.0	-121.01	345.48	3.72	-117.29
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C([N+](=O)[O-])=C1	REAL300000533446	0	36	-2.0	-116.73	343.52	7.06	-109.67
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(F)=C3)C=C21	REAL300000533449	1	33	-2.0	-99.40	321.45	5.46	-93.94
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533450	1	44	-2.0	-111.95	384.13	7.09	-104.86
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CN1C	REAL300000533452	0	40	-2.0	-117.34	362.87	5.36	-111.98
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533453	1	48	-2.0	-114.41	392.11	8.05	-106.36
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1F	REAL300000533454	0	36	-2.0	-115.61	341.39	5.73	-109.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1F	REAL300000533454	1	35	-3.0	-172.04	334.67	5.87	-166.17
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533455	1	43	-2.0	-123.38	368.96	5.53	-117.85
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CC(C)=C1F	REAL300000533456	1	39	-2.0	-109.03	348.72	6.60	-102.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533457	0	32	-3.0	-174.89	322.41	4.95	-169.94
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533458	0	42	-2.0	-122.09	366.23	6.52	-115.57
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533459	0	36	-2.0	-112.76	343.04	5.76	-107.00
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533459	1	35	-3.0	-177.90	336.55	5.88	-172.02
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CN1	REAL300000533460	0	37	-2.0	-114.63	345.09	3.61	-111.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(F)=C1	REAL300000533461	0	35	-3.0	-173.68	335.60	5.89	-167.79
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(F)=C1	REAL300000533461	1	36	-2.0	-103.72	338.29	5.86	-97.86
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533462	1	36	-2.0	-110.91	322.47	6.07	-104.84
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CS1	REAL300000533463	0	36	-2.0	-113.35	348.96	4.95	-108.40
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533464	0	35	-2.0	-111.28	328.19	3.76	-107.52
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533465	1	37	-2.0	-118.44	343.93	6.43	-112.01
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533466	1	39	-2.0	-116.00	344.57	6.69	-109.31
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533467	1	36	-2.0	-111.58	329.49	5.99	-105.59
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533469	0	39	-2.0	-109.94	359.58	4.72	-105.22
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C4NC(=O)C=CC4=C3)C=C21	REAL300000533470	1	39	-2.0	-110.25	353.86	4.34	-105.91
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C(F)C=C1F	REAL300000533472	0	36	-2.0	-111.32	333.89	6.02	-105.30
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC4=CC=CC=C43)C=C21	REAL300000533473	1	39	-2.0	-123.16	343.51	7.60	-115.56
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=C4C=CSC4=C3)C=C21	REAL300000533474	0	35	-2.0	-112.31	334.46	4.76	-107.55
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533475	0	36	-3.0	-181.90	339.87	3.53	-178.37
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533475	1	36	-3.0	-183.35	338.98	4.40	-178.95
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC4=C3CCCC4)C=C21	REAL300000533476	1	43	-2.0	-118.12	357.78	7.90	-110.22
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533477	0	39	-2.0	-104.72	359.03	6.47	-98.25
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533477	1	38	-3.0	-174.75	352.32	6.60	-168.15
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)O1	REAL300000533478	0	39	-2.0	-108.90	363.09	4.98	-103.92
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC([N+](=O)[O-])=C3)C=C21	REAL300000533479	0	35	-2.0	-103.54	337.08	6.01	-97.53
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533480	0	36	-2.0	-124.67	344.42	5.98	-118.69
COC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)SC=C1	REAL300000533482	0	34	-2.0	-121.49	323.85	3.55	-117.94
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4O3)C=C21	REAL300000533483	0	36	-2.0	-117.15	332.22	5.67	-111.48
CC1=NC2=C(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)C=CC=C2C=C1	REAL300000533484	0	41	-2.0	-133.24	363.19	6.50	-126.74
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533485	0	35	-2.0	-119.63	334.92	4.01	-115.62
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533486	0	33	-2.0	-104.59	316.66	4.22	-100.37
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)N=C1Cl	REAL300000533487	0	33	-2.0	-117.40	321.86	4.10	-113.30
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533488	1	41	-2.0	-117.80	360.66	3.87	-113.93
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC4=NON=C43)C=C21	REAL300000533489	0	34	-2.0	-120.42	318.29	4.02	-116.40
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533490	0	34	-2.0	-104.93	323.90	3.10	-101.83
CC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533491	0	32	-2.0	-110.79	310.22	3.09	-107.70
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533492	0	39	-2.0	-117.08	342.83	6.43	-110.65
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533492	1	38	-3.0	-187.64	339.73	6.50	-181.14
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533494	0	39	-2.0	-95.59	345.07	6.17	-89.42
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(F)=C1	REAL300000533495	0	34	-2.0	-110.92	330.97	5.94	-104.98
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1F	REAL300000533496	0	36	-2.0	-113.79	333.88	6.03	-107.76
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1CC	REAL300000533497	1	45	-2.0	-116.67	378.75	7.83	-108.84
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(Cl)C=CN=C3Cl)C=C21	REAL300000533499	0	32	-2.0	-111.50	321.46	4.72	-106.78
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533500	0	39	-2.0	-121.74	347.13	5.66	-116.08
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533501	0	38	-2.0	-106.02	352.42	4.09	-101.93
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=C(Cl)C=C3Cl)C=C21	REAL300000533502	0	32	-2.0	-103.26	327.90	4.47	-98.79
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533503	1	41	-2.0	-124.64	364.76	6.53	-118.11
COCCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533504	0	40	-2.0	-110.19	361.43	2.87	-107.32
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C([N+](=O)[O-])=N1	REAL300000533505	0	38	-2.0	-121.22	352.00	6.10	-115.12
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1C#N	REAL300000533507	0	37	-2.0	-124.06	338.93	6.06	-118.00
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533508	0	42	-2.0	-114.56	374.68	6.90	-107.66
CCCN1C=NC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533509	0	39	-2.0	-124.08	349.17	6.01	-118.07
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN(C4CCOC4)N=C3)C=C21	REAL300000533510	0	41	-2.0	-109.87	360.50	3.03	-106.84
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1F	REAL300000533511	0	36	-2.0	-120.80	327.50	5.97	-114.83
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533512	0	39	-2.0	-108.00	350.70	2.88	-105.12
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN4CCCCC4=N3)C=C21	REAL300000533513	0	40	-2.0	-124.61	348.24	5.32	-119.29
COCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533514	1	40	-2.0	-114.10	356.75	4.99	-109.11
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533515	0	38	-2.0	-115.46	340.96	2.24	-113.22
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1Cl	REAL300000533516	0	36	-2.0	-116.72	333.55	6.40	-110.32
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C(C)O1	REAL300000533518	0	36	-2.0	-111.74	324.66	4.84	-106.90
O=C([O-])C1=C2C=C([N-]S(=O)(=O)C3=C4NC(=O)COC4=CC=C3)C=CC2=NC=C1	REAL300000533519	0	39	-2.0	-120.75	347.94	2.92	-117.83
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533521	1	40	-2.0	-113.55	348.27	5.30	-108.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)O1	REAL300000533523	0	33	-2.0	-114.31	306.27	4.08	-110.23
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533524	0	36	-2.0	-115.15	333.89	5.62	-109.53
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C4OCOC4=C3)C=C21	REAL300000533525	1	36	-2.0	-111.47	328.50	3.93	-107.54
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C2=NC=CC=C2C=C1	REAL300000533526	0	41	-2.0	-129.66	355.57	7.07	-122.59
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3C3=CC=NO3)C=C21	REAL300000533527	0	39	-2.0	-120.86	351.76	7.30	-113.56
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(F)=C3)C=C21	REAL300000533528	0	35	-2.0	-101.06	335.21	5.97	-95.09
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(Cl)=C3)C=C21	REAL300000533529	1	33	-2.0	-105.52	325.60	5.86	-99.66
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C(C)O1	REAL300000533530	0	39	-2.0	-107.30	359.54	4.83	-102.47
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=CC(Cl)=C3)C=C21	REAL300000533531	0	32	-2.0	-105.59	314.21	3.98	-101.61
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)N=C1C	REAL300000533532	0	39	-2.0	-123.85	347.22	5.05	-118.80
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533533	0	36	-2.0	-116.14	336.23	6.49	-109.65
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000533534	0	39	-3.0	-187.25	358.17	6.04	-181.21
CCN1C=C(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1C(=O)[O-]	REAL300000533534	1	40	-2.0	-119.84	364.90	5.89	-113.95
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533535	0	36	-2.0	-112.87	341.56	4.00	-108.87
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533536	0	45	-2.0	-115.05	377.81	5.84	-109.21
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(F)C=CC=C3Cl)C=C21	REAL300000533537	0	33	-2.0	-118.70	318.53	6.07	-112.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(Cl)=N1	REAL300000533538	0	35	-2.0	-114.17	331.57	4.58	-109.59
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533539	0	38	-2.0	-112.38	350.72	5.46	-106.92
CCC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533540	0	35	-2.0	-110.44	331.70	3.84	-106.60
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)C=C12	REAL300000533541	0	40	-2.0	-104.49	362.91	2.97	-101.52
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533542	0	35	-2.0	-108.93	340.97	5.63	-103.30
COC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CN=C1Cl	REAL300000533543	0	36	-2.0	-104.36	342.54	3.23	-101.13
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(F)(F)F)N=C3)C=C21	REAL300000533544	0	35	-2.0	-103.66	337.18	4.52	-99.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(C)=C1F	REAL300000533545	1	40	-2.0	-110.72	351.77	5.38	-105.34
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(Cl)=C1	REAL300000533546	0	34	-2.0	-107.03	335.56	6.21	-100.82
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C4OC=CC4=CC=C3)C=C21	REAL300000533547	0	36	-2.0	-123.73	330.38	5.60	-118.13
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533548	0	38	-2.0	-110.80	351.63	4.12	-106.68
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Br)O3)C=C21	REAL300000533549	0	30	-2.0	-108.35	306.84	4.01	-104.34
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533550	0	43	-2.0	-121.89	365.23	7.01	-114.88
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533554	0	33	-2.0	-107.88	330.65	5.48	-102.40
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(F)F)=C3)C=C21	REAL300000533555	1	36	-2.0	-120.25	336.63	6.21	-114.04
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN(CC(F)F)N=C3)C=C21	REAL300000533556	0	36	-2.0	-110.26	340.39	4.17	-106.09
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533557	0	37	-2.0	-120.68	337.77	6.33	-114.35
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533558	1	42	-2.0	-116.75	355.69	7.26	-109.49
COC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CC=C1F	REAL300000533559	1	37	-2.0	-107.40	337.42	4.63	-102.77
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C([N+](=O)[O-])SC=C3)C=C21	REAL300000533560	0	32	-2.0	-121.27	315.15	5.67	-115.60
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CO3)C=C21	REAL300000533561	0	30	-2.0	-112.87	285.15	3.28	-109.59
CN1N=NC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533562	0	32	-2.0	-102.17	296.14	1.67	-100.50
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)=CN=C21	REAL300000533563	1	38	-2.0	-109.48	346.04	4.40	-105.08
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CSC([N+](=O)[O-])=C3)C=C21	REAL300000533564	0	32	-2.0	-105.02	323.64	5.05	-99.97
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=C4CCCN34)C=C21	REAL300000533566	0	37	-2.0	-116.80	330.45	4.72	-112.08
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533567	0	34	-2.0	-109.68	335.59	6.22	-103.46
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533568	1	39	-2.0	-111.84	331.89	6.99	-104.85
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533569	0	41	-2.0	-128.31	355.66	5.76	-122.55
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533571	0	36	-2.0	-118.94	321.28	6.22	-112.72
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CNC4=CC=CC(F)=C34)C=C21	REAL300000533572	0	37	-2.0	-128.62	340.86	5.36	-123.26
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)C=CC=C12	REAL300000533573	0	41	-2.0	-131.42	359.56	6.45	-124.97
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC4=NSN=C43)C=C21	REAL300000533575	0	34	-2.0	-121.69	327.23	3.59	-118.10
COC1=CN=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533576	0	36	-2.0	-111.43	326.25	2.74	-108.69
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC3=C(C(=O)[O-])C=CN=C3C=C1)OCO2	REAL300000533578	1	39	-2.0	-110.38	343.17	4.70	-105.68
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533580	1	43	-2.0	-114.46	373.94	5.14	-109.32
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533582	0	36	-2.0	-118.11	346.65	2.75	-115.36
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533582	1	35	-3.0	-180.98	343.36	1.63	-179.35
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533583	1	37	-2.0	-122.24	334.52	6.52	-115.72
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533584	1	37	-2.0	-118.07	343.92	6.42	-111.65
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C=C3Cl)C=C21	REAL300000533585	0	33	-2.0	-108.29	332.32	6.35	-101.94
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(N)=NO1	REAL300000533587	0	34	-2.0	-104.91	308.11	2.65	-102.26
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533588	0	37	-2.0	-116.92	346.67	5.57	-111.35
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CNC(C(F)(F)F)=C3)C=C21	REAL300000533589	0	34	-2.0	-109.40	329.97	4.06	-105.34
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533592	1	40	-2.0	-115.74	346.64	5.34	-110.40
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533594	0	31	-2.0	-104.88	314.19	4.81	-100.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533595	0	35	-2.0	-111.95	318.29	4.09	-107.86
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4N=C3)C=C21	REAL300000533596	0	38	-2.0	-114.77	343.64	5.64	-109.13
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CC=C1C#N	REAL300000533597	1	37	-2.0	-106.60	341.64	6.15	-100.45
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=C(Cl)C(F)=C3)C=C21	REAL300000533598	0	32	-2.0	-100.30	320.21	3.96	-96.34
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(F)=C1	REAL300000533600	0	37	-2.0	-116.99	336.66	4.62	-112.37
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(F)F)C=C3)C=C21	REAL300000533602	1	36	-2.0	-112.36	334.66	6.14	-106.22
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)N(C)N=C1	REAL300000533604	0	36	-2.0	-107.88	318.56	3.73	-104.15
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)O1	REAL300000533606	0	31	-2.0	-106.01	305.60	3.81	-102.20
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CSC=C3)C=C21	REAL300000533607	0	30	-2.0	-110.58	293.57	4.19	-106.39
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=COC=C3)C=C21	REAL300000533608	0	30	-2.0	-111.12	284.99	3.17	-107.95
CC1=CC(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CC=C1C(=O)[O-]	REAL300000533609	0	39	-2.0	-112.96	352.59	6.25	-106.71
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CC=C1C(=O)[O-]	REAL300000533609	1	38	-3.0	-173.36	346.21	6.37	-166.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533610	0	36	-2.0	-107.99	328.87	1.95	-106.04
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=CC=C3F)C=C21	REAL300000533611	0	33	-2.0	-113.72	324.69	5.86	-107.86
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533612	0	44	-2.0	-111.46	379.81	6.37	-105.09
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CSC4=CC=CC=C34)C=C21	REAL300000533613	0	36	-2.0	-116.31	339.01	6.64	-109.67
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)=C2O1	REAL300000533614	0	44	-2.0	-127.59	379.55	6.49	-121.10
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC4=C3OCO4)C=C21	REAL300000533615	0	36	-2.0	-118.75	329.07	3.91	-114.84
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533616	1	40	-2.0	-116.95	353.03	5.48	-111.47
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(Cl)C=CC(F)=C3F)C=C21	REAL300000533617	0	33	-2.0	-114.91	324.83	6.13	-108.78
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533618	1	39	-2.0	-139.57	346.10	2.85	-136.72
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)C=C2C=C1	REAL300000533619	1	42	-2.0	-117.61	368.98	8.20	-109.41
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(Cl)C=CS3)C=C21	REAL300000533620	0	30	-2.0	-111.76	310.44	4.74	-107.02
CC1=CSC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533621	0	33	-2.0	-113.04	315.26	4.92	-108.12
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CNN=C3Cl)C=C21	REAL300000533622	0	30	-2.0	-110.11	300.75	2.09	-108.02
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)N=C3F)C=C21	REAL300000533623	0	32	-2.0	-109.71	309.38	3.39	-106.32
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533624	0	42	-2.0	-109.20	366.20	4.32	-104.88
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533625	0	42	-2.0	-108.60	370.86	3.81	-104.79
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC4=CC(F)=CC=C4O3)C=C21	REAL300000533627	0	36	-2.0	-111.07	338.64	5.74	-105.33
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533628	0	38	-2.0	-124.62	348.70	4.24	-120.38
CC1=NSC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533629	0	32	-2.0	-107.21	310.18	3.55	-103.66
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)N=S3(=O)CCCC3)C=C21	REAL300000533631	1	37	-2.0	-140.34	331.34	2.59	-137.75
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4CC4)C=C3)C=C21	REAL300000533632	1	40	-2.0	-114.32	351.68	7.38	-106.94
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(F)C=CS3)C=C21	REAL300000533633	0	30	-2.0	-113.47	300.74	4.33	-109.14
O=C([O-])C1=C2C=C([N-]S(=O)(=O)C3=CC=C4C(=O)CCCC4=C3)C=CC2=NC=C1	REAL300000533634	1	42	-2.0	-113.69	366.52	6.85	-106.84
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1F	REAL300000533635	1	34	-2.0	-103.77	328.39	5.69	-98.08
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533638	1	33	-2.0	-138.41	307.04	1.19	-137.22
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=NC=CN3)C=C21	REAL300000533639	0	30	-2.0	-114.89	284.09	1.87	-113.02
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C4OCCCN4N=C3)C=C21	REAL300000533640	0	38	-2.0	-119.01	339.46	2.19	-116.82
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533641	0	36	-2.0	-114.81	331.38	5.88	-108.93
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=CC([N+](=O)[O-])=C3)C=C21	REAL300000533642	0	34	-2.0	-103.43	325.84	4.14	-99.29
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533643	0	35	-2.0	-105.01	329.24	4.64	-100.37
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=NN1C	REAL300000533647	0	36	-2.0	-111.25	322.34	3.49	-107.76
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533648	1	37	-2.0	-115.01	332.77	6.34	-108.67
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533649	0	36	-2.0	-112.65	325.06	3.62	-109.03
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533650	0	33	-2.0	-104.65	317.54	3.86	-100.79
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C4NC(=O)C=NC4=C3)C=C21	REAL300000533652	1	38	-2.0	-111.43	348.89	2.48	-108.95
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CNN=C3C(F)(F)F)C=C21	REAL300000533654	0	33	-2.0	-111.53	318.11	2.80	-108.73
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=NN3C3=CC=CC=C3)C=C21	REAL300000533655	0	39	-2.0	-109.33	348.75	5.20	-104.13
O=C([O-])C1=C2C=C([N-]S(=O)(=O)C3=CC=C4OCCC(=O)C4=C3)C=CC2=NC=C1	REAL300000533657	1	40	-2.0	-119.79	357.68	5.00	-114.79
COC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CC=C1Cl	REAL300000533658	1	37	-2.0	-108.07	347.22	5.12	-102.95
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533659	0	37	-2.0	-122.17	353.27	1.90	-120.27
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1F	REAL300000533660	0	35	-3.0	-196.91	333.80	5.85	-191.06
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(Br)NC=N3)C=C21	REAL300000533661	0	30	-2.0	-119.61	302.92	3.22	-116.39
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C4N=CSC4=CC=C3)C=C21	REAL300000533662	0	35	-2.0	-125.42	333.66	4.70	-120.72
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C4CCOC4=C3)C=C21	REAL300000533663	1	38	-2.0	-117.02	338.26	5.11	-111.91
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(F)C4=CC=CC=C4C=C3)C=C21	REAL300000533665	0	39	-2.0	-123.41	352.99	7.59	-115.82
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533666	0	36	-2.0	-115.50	328.79	6.75	-108.75
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC4=C3OCC4)C=C21	REAL300000533667	0	38	-2.0	-124.75	338.77	5.11	-119.64
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(F)=C1	REAL300000533672	0	36	-2.0	-121.33	331.60	6.22	-115.11
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=CN=C3Cl)C=C21	REAL300000533673	0	32	-2.0	-106.41	327.50	4.47	-101.94
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)=CC=C21	REAL300000533674	1	38	-2.0	-113.67	345.53	3.71	-109.96
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533676	0	37	-2.0	-116.86	336.34	5.11	-111.75
COC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1Cl	REAL300000533678	0	36	-2.0	-104.85	344.94	2.49	-102.36
CC1=NOC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533679	0	32	-2.0	-104.95	298.62	3.21	-101.74
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CC=C1Cl	REAL300000533680	1	36	-2.0	-109.10	337.16	6.35	-102.75
O=C([O-])C1=C2C=C([N-]S(=O)(=O)C3=CC=C4CCC(=O)C4=C3)C=CC2=NC=C1	REAL300000533681	1	39	-2.0	-123.53	349.77	6.24	-117.29
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C([N+](=O)[O-])S1	REAL300000533682	0	35	-2.0	-121.50	336.26	6.45	-115.05
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533683	1	38	-2.0	-129.93	343.79	1.23	-128.70
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CN=C3F)C=C21	REAL300000533684	0	32	-2.0	-117.40	302.96	3.46	-113.94
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)N=C3)C=C21	REAL300000533687	0	32	-2.0	-104.36	303.86	3.43	-100.93
N#CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=CS1	REAL300000533689	0	31	-2.0	-118.11	312.08	4.66	-113.45
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(F)=C3)C=C21	REAL300000533692	1	33	-2.0	-105.17	325.07	5.84	-99.33
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC4=C3OCCC4)C=C21	REAL300000533693	0	41	-2.0	-123.67	354.65	6.49	-117.18
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533699	1	40	-2.0	-124.98	357.60	2.70	-122.28
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(=O)NC1=O	REAL300000533700	1	36	-2.0	-118.92	330.08	1.96	-116.96
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)N(C)N=C1	REAL300000533702	0	39	-2.0	-114.59	350.91	4.33	-110.26
CC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)N1C	REAL300000533704	0	36	-2.0	-114.67	320.98	4.24	-110.43
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)O1	REAL300000533707	0	39	-2.0	-109.59	359.13	4.64	-104.95
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=C(C4CC4)S3)C=C21	REAL300000533708	0	36	-2.0	-111.28	342.21	4.79	-106.49
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)N=C3F)C=C21	REAL300000533709	0	32	-2.0	-110.48	319.84	3.88	-106.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(F)=C1F	REAL300000533711	0	36	-2.0	-118.18	333.81	6.03	-112.15
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)OC=C1	REAL300000533712	0	36	-2.0	-121.88	337.94	4.28	-117.60
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=N1	REAL300000533713	0	35	-2.0	-126.09	328.78	4.25	-121.84
CCCCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(C)=N1	REAL300000533714	0	45	-2.0	-112.23	389.59	6.02	-106.21
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533715	0	34	-3.0	-180.28	327.13	3.88	-176.40
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533716	0	37	-2.0	-111.85	334.45	5.40	-106.45
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533717	1	34	-2.0	-104.86	328.92	5.72	-99.14
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=C4NC=NC=C34)C=C21	REAL300000533718	0	35	-2.0	-125.52	325.63	4.47	-121.05
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CNC4=NC=NC=C34)C=C21	REAL300000533718	1	35	-2.0	-113.35	325.74	4.33	-109.02
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CNC4=CC=CC=C34)C=C21	REAL300000533719	0	37	-2.0	-122.36	336.21	5.25	-117.11
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533720	0	43	-2.0	-111.95	362.66	5.38	-106.57
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(C(C)(C)C)=N1	REAL300000533721	0	45	-2.0	-111.24	369.96	5.87	-105.37
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN(C4CCCC4)N=C3)C=C21	REAL300000533723	0	43	-2.0	-111.68	369.89	5.63	-106.05
O=C([O-])C1=CC=NC2=CC=C(NS(=O)(=O)C3=CC(F)=CC=C3[O-])C=C21	REAL300000533725	0	34	-2.0	-105.45	317.78	3.88	-101.57
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC=C3O)C=C21	REAL300000533725	1	34	-2.0	-109.68	318.66	3.03	-106.65
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533726	1	43	-2.0	-114.06	378.89	8.04	-106.02
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533727	0	36	-2.0	-127.41	332.68	2.93	-124.48
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533728	0	39	-2.0	-111.80	344.54	4.42	-107.38
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1F	REAL300000533729	1	38	-2.0	-113.67	348.99	5.82	-107.85
NC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533730	0	33	-2.0	-107.10	306.89	2.62	-104.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(C#N)=C1	REAL300000533731	0	37	-2.0	-121.91	341.18	6.22	-115.69
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533732	0	37	-2.0	-121.22	333.34	6.51	-114.71
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(F)F)=C3)C=C21	REAL300000533733	1	36	-2.0	-109.61	341.68	6.23	-103.38
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1	REAL300000533735	1	40	-2.0	-117.57	365.43	7.22	-110.35
COC1=NSC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533737	0	33	-2.0	-104.47	320.93	1.06	-103.41
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=NS3)C=C21	REAL300000533739	0	29	-2.0	-106.65	289.21	2.98	-103.67
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C(C(N)=O)O1	REAL300000533742	0	37	-2.0	-110.88	341.19	0.88	-110.00
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533743	1	42	-2.0	-112.15	353.40	7.78	-104.37
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CSC=C3C(F)F)C=C21	REAL300000533744	0	33	-2.0	-119.17	317.19	5.41	-113.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C(Cl)O1	REAL300000533746	0	32	-3.0	-171.76	330.29	4.79	-166.97
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC4=CC=NC=C43)C=C21	REAL300000533747	1	38	-2.0	-124.00	338.72	5.79	-118.21
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533748	0	40	-2.0	-120.66	364.41	5.39	-115.27
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1F	REAL300000533749	0	34	-2.0	-117.59	327.48	5.69	-111.90
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)N=N1	REAL300000533750	0	32	-2.0	-120.81	300.63	1.59	-119.22
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN(C4CCC4)N=C3)C=C21	REAL300000533751	0	40	-2.0	-112.22	352.36	4.96	-107.26
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=NN3C3CCC3)C=C21	REAL300000533752	0	40	-2.0	-109.59	349.75	5.17	-104.42
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=NN3CC3CCC3)C=C21	REAL300000533753	0	43	-2.0	-110.54	368.22	5.86	-104.68
O=C([O-])C1=C2C=C([N-]S(=O)(=O)C3=CC=C4NC(=O)COC4=C3)C=CC2=NC=C1	REAL300000533754	1	39	-2.0	-110.86	352.42	2.48	-108.38
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(Br)C=CO3)C=C21	REAL300000533755	0	30	-2.0	-112.25	306.57	3.87	-108.38
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1F	REAL300000533756	1	37	-2.0	-104.25	347.55	4.80	-99.45
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=C4CCCCN34)C=C21	REAL300000533757	0	40	-2.0	-114.64	345.37	5.34	-109.30
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1F	REAL300000533758	0	37	-2.0	-111.62	342.88	4.70	-106.92
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533759	0	36	-2.0	-110.24	324.59	5.98	-104.26
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)=C2O1	REAL300000533760	0	41	-2.0	-125.78	358.85	5.85	-119.93
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533761	0	41	-2.0	-111.68	370.36	4.92	-106.76
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)C=C2)CC1	REAL300000533762	1	41	-2.0	-115.33	369.93	7.47	-107.86
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533763	0	37	-2.0	-117.94	338.10	5.92	-112.02
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CSC=C3Cl)C=C21	REAL300000533764	0	30	-2.0	-111.49	307.88	4.72	-106.77
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=CC(C(F)(F)F)=C3)C=C21	REAL300000533765	0	35	-2.0	-104.58	336.35	4.44	-100.14
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533766	0	38	-2.0	-129.43	343.42	4.85	-124.58
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533767	0	35	-2.0	-102.47	316.90	2.59	-99.88
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC4=NON=C4C=C3)C=C21	REAL300000533769	1	34	-2.0	-103.31	317.33	4.07	-99.24
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4S3)C=C21	REAL300000533770	0	36	-2.0	-116.60	341.31	6.72	-109.88
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533771	0	40	-2.0	-108.68	353.63	4.98	-103.70
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(C)=C1F	REAL300000533772	1	42	-2.0	-112.03	357.48	7.61	-104.42
COC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1OC	REAL300000533773	0	41	-2.0	-116.99	357.44	5.18	-111.81
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=COC4=CC=CC=C34)C=C21	REAL300000533774	0	36	-2.0	-117.13	332.24	5.57	-111.56
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(C2CC2)=N1	REAL300000533775	0	40	-2.0	-115.03	356.98	5.20	-109.83
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(F)C=CC4=C3OCO4)C=C21	REAL300000533777	0	36	-2.0	-122.15	331.89	4.48	-117.67
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)C=CC=C21	REAL300000533778	0	38	-2.0	-133.44	346.22	3.66	-129.78
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)=C21	REAL300000533779	0	40	-2.0	-114.81	342.63	7.18	-107.63
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=CN=C1N	REAL300000533780	1	37	-2.0	-114.07	329.69	2.97	-111.10
COC1=NSC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533781	0	33	-2.0	-112.08	318.98	1.13	-110.95
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)N=CN1	REAL300000533782	0	33	-2.0	-124.75	300.60	3.34	-121.41
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C4C=COC4=C(F)C=C3)C=C21	REAL300000533784	1	36	-2.0	-112.10	336.18	5.66	-106.44
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(C2CCC2)=N1	REAL300000533785	0	43	-2.0	-115.85	373.19	5.66	-110.19
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(Cl)SC=C3)C=C21	REAL300000533786	0	30	-2.0	-110.81	308.30	4.81	-106.00
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN(CC4CCC4)N=C3)C=C21	REAL300000533787	0	43	-2.0	-112.77	376.44	5.92	-106.85
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(C4CC4)C=CS3)C=C21	REAL300000533788	0	37	-2.0	-117.96	339.20	6.47	-111.49
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533789	1	42	-2.0	-116.09	366.06	7.47	-108.62
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533790	0	39	-2.0	-109.42	359.29	3.53	-105.89
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533791	0	34	-2.0	-116.67	326.20	5.62	-111.05
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533792	0	40	-2.0	-112.84	347.37	4.79	-108.05
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533795	0	42	-2.0	-110.43	351.30	4.96	-105.47
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533796	0	42	-2.0	-112.96	366.18	4.97	-107.99
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CNN=C3C3CCC3)C=C21	REAL300000533797	0	40	-2.0	-112.63	351.04	4.37	-108.26
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533798	0	44	-2.0	-112.00	375.94	6.08	-105.92
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CF)C=C3)C=C21	REAL300000533799	1	36	-2.0	-113.29	330.45	6.09	-107.20
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533800	0	36	-2.0	-107.95	323.86	3.48	-104.47
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1C	REAL300000533802	1	39	-2.0	-115.33	333.76	6.59	-108.74
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3C(F)F)C=C21	REAL300000533803	0	36	-2.0	-122.84	323.44	6.57	-116.27
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533804	1	44	-2.0	-124.16	386.26	7.29	-116.87
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1Cl	REAL300000533806	0	34	-2.0	-113.92	334.30	6.12	-107.80
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C4CC4)=C3)C=C21	REAL300000533807	1	40	-2.0	-116.07	351.68	7.38	-108.69
COC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=CS1	REAL300000533808	0	34	-2.0	-117.73	323.91	3.71	-114.02
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4CC4)C=C3F)C=C21	REAL300000533809	0	40	-2.0	-118.09	357.18	7.44	-110.65
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=NN3C3CCCC3)C=C21	REAL300000533810	0	43	-2.0	-110.05	367.28	5.89	-104.16
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533811	0	42	-2.0	-109.69	362.82	5.10	-104.59
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)C2=N1	REAL300000533813	0	38	-2.0	-124.95	345.28	3.62	-121.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)O1	REAL300000533814	0	36	-2.0	-114.32	327.76	4.86	-109.46
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(F)(F)F)O3)C=C21	REAL300000533815	0	33	-2.0	-106.94	326.31	4.50	-102.44
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533816	0	37	-2.0	-109.42	342.62	5.18	-104.24
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533817	1	39	-2.0	-115.04	354.89	6.79	-108.25
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(OC(F)F)=C3)C=C21	REAL300000533818	1	37	-2.0	-113.90	341.71	4.85	-109.05
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)S1	REAL300000533819	0	34	-2.0	-111.10	325.46	3.71	-107.39
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN(CCF)N=C3)C=C21	REAL300000533820	0	36	-2.0	-108.82	335.13	3.98	-104.84
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533821	1	43	-2.0	-116.43	378.60	5.95	-110.48
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3CF)C=C21	REAL300000533822	1	36	-2.0	-117.99	324.09	6.19	-111.80
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=C4C=CC=CN34)C=C21	REAL300000533823	0	36	-2.0	-117.71	327.96	5.67	-112.04
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C4SC=NC4=C3)C=C21	REAL300000533824	1	35	-2.0	-115.84	333.40	4.68	-111.16
CCN1N=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=N1	REAL300000533825	0	35	-2.0	-112.08	322.40	2.14	-109.94
CCN1N=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1Cl	REAL300000533826	0	36	-2.0	-109.06	343.38	4.20	-104.86
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)O3)C=C21	REAL300000533827	0	30	-2.0	-107.93	302.21	3.90	-104.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C2=CC=CC=C12	REAL300000533828	1	42	-2.0	-124.13	360.46	8.11	-116.02
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(Cl)=C3F)C=C21	REAL300000533830	0	33	-2.0	-109.51	329.99	5.89	-103.62
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4CC4)S3)C=C21	REAL300000533832	0	37	-2.0	-114.47	346.28	6.59	-107.88
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1[N+](=O)[O-]	REAL300000533833	0	36	-2.0	-103.80	347.14	6.07	-97.73
CC1=COC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533835	0	33	-2.0	-113.42	306.26	3.93	-109.49
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=NN1	REAL300000533836	0	39	-2.0	-112.14	361.87	3.07	-109.07
COC1=CSC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1OC	REAL300000533837	0	38	-2.0	-112.81	351.94	3.79	-109.02
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=C(F)C(Cl)=C3)C=C21	REAL300000533838	0	32	-2.0	-99.94	320.10	3.92	-96.02
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533839	0	39	-2.0	-113.28	346.11	5.20	-108.08
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC4=C(C(=O)[O-])C=CN=C4C=C3)=CC=C21	REAL300000533840	1	40	-2.0	-121.44	355.38	7.03	-114.41
CN1N=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1Cl	REAL300000533841	0	33	-2.0	-108.47	321.56	3.32	-105.15
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533842	0	39	-2.0	-125.94	339.52	7.09	-118.85
N#CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)OC=C1	REAL300000533843	0	31	-2.0	-112.12	304.36	3.73	-108.39
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533844	0	35	-2.0	-104.12	329.42	4.65	-99.47
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533845	1	44	-2.0	-117.75	385.01	6.87	-110.88
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(C2CC2)=N1	REAL300000533846	0	43	-2.0	-115.19	378.52	6.06	-109.13
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(=O)NC(=O)N1	REAL300000533847	1	36	-2.0	-118.35	324.76	0.99	-117.36
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC=C3)C=C21	REAL300000533849	0	30	-2.0	-110.25	301.26	3.79	-106.46
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=CS3)C=C21	REAL300000533850	0	30	-2.0	-107.79	311.27	4.79	-103.00
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533851	0	41	-2.0	-110.36	353.96	3.01	-107.35
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3C3CC3)C=C21	REAL300000533852	1	40	-2.0	-117.31	346.01	7.44	-109.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C(C)=N1	REAL300000533854	1	39	-2.0	-107.52	344.53	2.71	-104.81
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533855	0	39	-2.0	-118.82	349.09	3.09	-115.73
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533856	0	36	-2.0	-112.20	344.38	2.95	-109.25
COC1=NC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C1C	REAL300000533857	0	39	-2.0	-109.11	348.99	2.67	-106.44
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=N1	REAL300000533858	0	42	-2.0	-112.60	369.08	5.36	-107.24
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533859	0	42	-2.0	-113.07	365.29	5.00	-108.07
N#CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=CO1	REAL300000533860	0	31	-2.0	-114.64	304.64	3.67	-110.97
N#CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)SC=C1	REAL300000533861	0	31	-2.0	-112.14	313.73	4.60	-107.54
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533862	0	39	-2.0	-109.13	344.59	4.47	-104.66
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533863	0	36	-2.0	-119.73	343.53	7.07	-112.66
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=NN3CC3CC3)C=C21	REAL300000533864	0	40	-2.0	-107.96	354.67	5.40	-102.56
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=NN3C3=CC=CC=C3)C=C21	REAL300000533865	0	40	-2.0	-116.04	358.78	6.29	-109.75
COC1=NOC(CS(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533866	1	36	-2.0	-107.36	332.74	1.60	-105.76
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=NN1C(C)C	REAL300000533867	0	42	-2.0	-112.24	366.16	5.01	-107.23
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=CC(C(F)F)=C3)C=C21	REAL300000533868	0	35	-2.0	-114.10	331.69	4.39	-109.71
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(O)=C3)C=C21	REAL300000533870	1	34	-2.0	-115.35	313.49	2.42	-112.93
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(F)F)=CC=C3F)C=C21	REAL300000533871	0	36	-2.0	-117.90	340.13	6.21	-111.69
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CSN=C3)C=C21	REAL300000533872	0	29	-2.0	-104.74	288.11	2.88	-101.86
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=NN(C4CC4(F)F)C=C3)C=C21	REAL300000533873	0	37	-2.0	-123.55	350.35	4.56	-118.99
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC2=C(C(=O)[O-])C=CN=C2C=C1	REAL300000533874	0	38	-2.0	-121.25	342.47	4.86	-116.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C2=NC=CC=C12	REAL300000533875	0	41	-2.0	-131.76	359.41	6.43	-125.33
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C(C(=O)[O-])O1	REAL300000533876	0	38	-3.0	-176.33	352.28	5.82	-170.51
CCC1=C(S(=O)(=O)NC2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C(C(=O)[O-])O1	REAL300000533876	1	39	-2.0	-98.94	355.01	5.25	-93.69
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)C=C(Cl)S1	REAL300000533877	0	33	-2.0	-106.11	326.94	5.66	-100.45
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=CN=CS3)C=C21	REAL300000533878	0	29	-2.0	-109.15	289.05	2.39	-106.76
O=C([O-])C1=CC=NC2=CC=C([N-]S(=O)(=O)C3=C4CCCCN4N=C3)C=C21	REAL300000533879	0	40	-2.0	-113.31	348.20	4.60	-108.71
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C(=O)[O-])C=CN=C3C=C2)=C1	REAL300000533880	0	36	-2.0	-119.97	328.59	5.99	-113.98
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000533881	1	40	-2.0	-113.31	366.52	7.20	-106.11
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000533882	1	40	-2.0	-102.88	361.98	7.18	-95.70
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000533883	1	40	-2.0	-116.04	361.98	7.17	-108.87
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000533884	0	44	-2.0	-122.92	390.11	6.97	-115.95
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000533885	1	44	-2.0	-102.22	393.45	8.46	-93.76
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000533886	1	43	-2.0	-117.63	378.00	7.70	-109.93
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000533887	0	40	-2.0	-112.54	375.04	7.74	-104.80
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000533888	1	40	-2.0	-111.89	374.49	7.56	-104.33
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000533889	1	46	-2.0	-120.13	395.08	8.51	-111.62
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000533890	0	40	-2.0	-114.54	367.45	7.23	-107.31
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000533891	1	46	-2.0	-101.84	405.56	8.75	-93.09
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000533892	0	37	-2.0	-110.14	355.15	6.18	-103.96
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000533893	1	43	-2.0	-118.13	377.40	7.96	-110.17
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000533894	1	44	-2.0	-100.82	393.06	7.44	-93.38
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000533895	0	41	-2.0	-114.09	368.63	6.52	-107.57
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000533897	0	40	-2.0	-106.17	371.11	6.85	-99.32
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000533898	1	46	-2.0	-119.50	393.44	8.49	-111.01
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000533899	0	37	-2.0	-111.69	353.63	6.20	-105.49
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000533900	1	44	-2.0	-122.12	389.28	7.24	-114.88
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000533901	1	46	-2.0	-116.29	382.36	8.58	-107.71
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000533902	0	40	-2.0	-110.36	364.97	6.30	-104.06
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000533903	0	44	-2.0	-115.54	390.89	6.26	-109.28
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000533904	1	43	-2.0	-108.16	382.68	7.98	-100.18
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000533905	0	40	-2.0	-113.97	371.67	7.05	-106.92
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000533906	0	40	-2.0	-100.18	375.02	7.73	-92.45
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000533907	1	40	-2.0	-102.15	366.50	7.21	-94.94
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000533908	0	37	-2.0	-104.89	354.22	6.30	-98.59
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000533909	1	40	-2.0	-106.81	368.39	7.23	-99.58
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000533910	0	43	-2.0	-116.03	387.72	7.86	-108.17
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000533911	0	40	-2.0	-102.37	367.43	7.24	-95.13
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000533912	1	40	-2.0	-100.40	374.47	7.57	-92.83
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000533913	1	40	-2.0	-104.34	372.80	7.26	-97.08
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000533914	0	41	-2.0	-117.39	371.68	4.88	-112.51
CCC1=CC=C(C(=O)OC)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000533914	1	41	-2.0	-116.42	367.37	5.77	-110.65
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000533915	1	43	-2.0	-107.59	384.17	7.94	-99.65
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000533916	1	43	-2.0	-110.94	372.00	7.81	-103.13
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000533917	1	43	-2.0	-114.82	386.81	7.82	-107.00
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000533918	1	43	-2.0	-103.09	377.39	7.95	-95.14
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000533919	1	46	-2.0	-119.31	395.44	8.24	-111.07
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000533920	0	40	-2.0	-105.64	373.70	7.29	-98.35
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000533921	1	46	-2.0	-115.18	396.44	8.56	-106.62
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000533922	0	43	-2.0	-115.87	383.44	7.77	-108.10
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000533923	0	43	-2.0	-120.01	387.00	7.86	-112.15
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000533924	1	46	-2.0	-118.43	396.30	8.36	-110.07
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000533925	0	44	-2.0	-115.66	389.93	7.37	-108.29
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000533926	1	43	-2.0	-103.21	377.98	7.71	-95.50
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000533927	1	43	-2.0	-115.13	381.92	7.98	-107.15
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000533928	0	40	-2.0	-119.13	365.61	7.19	-111.94
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000533929	1	43	-2.0	-108.56	386.93	7.84	-100.72
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000533930	0	39	-2.0	-115.04	358.96	5.22	-109.82
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000533931	0	44	-2.0	-107.36	390.17	6.96	-100.40
CCC1=CC=C(C(=O)OC)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000533932	0	37	-2.0	-103.72	362.07	6.14	-97.58
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)OC)=CC=C2CC)C=C(C(=O)[O-])O1	REAL300000533933	0	43	-2.0	-110.03	379.56	7.03	-103.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=CC=C1F	REAL300000533934	0	36	-2.0	-115.64	337.79	1.10	-114.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1	REAL300000533935	0	36	-2.0	-104.40	333.24	1.07	-103.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1	REAL300000533936	0	36	-2.0	-115.59	333.26	1.06	-114.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCNC2=O)N=C1	REAL300000533937	0	40	-2.0	-121.10	361.40	0.87	-120.23
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1	REAL300000533938	0	40	-2.0	-103.67	364.72	2.36	-101.31
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1C(=O)[O-]	REAL300000533939	0	39	-2.0	-119.46	349.28	1.59	-117.87
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1	REAL300000533940	0	36	-2.0	-111.51	346.33	1.63	-109.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=CC=C1Cl	REAL300000533941	0	36	-2.0	-114.05	345.77	1.45	-112.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1C	REAL300000533942	0	42	-2.0	-118.15	365.65	2.38	-115.77
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1	REAL300000533943	0	36	-2.0	-113.16	338.74	1.12	-112.04
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1	REAL300000533944	0	42	-2.0	-103.27	376.84	2.65	-100.62
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1	REAL300000533945	0	33	-2.0	-110.14	326.44	0.09	-110.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCNC2=O)N=C1	REAL300000533946	0	39	-2.0	-116.25	348.70	1.84	-114.41
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1	REAL300000533947	0	40	-2.0	-102.60	364.33	1.34	-101.26
CN1C=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1C(=O)[O-]	REAL300000533948	0	37	-2.0	-114.42	339.91	0.42	-114.00
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCNC2=O)N=C1	REAL300000533949	0	40	-2.0	-116.64	357.47	-0.12	-116.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1	REAL300000533950	0	36	-2.0	-107.75	342.40	0.74	-107.01
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1C(=O)[O-]	REAL300000533951	0	42	-2.0	-117.48	364.72	2.37	-115.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=CS1	REAL300000533952	0	33	-2.0	-113.60	324.91	0.10	-113.50
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1C(=O)[O-]	REAL300000533953	0	40	-2.0	-121.38	360.55	1.13	-120.25
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCNC2=O)N=C1	REAL300000533954	0	45	-2.0	-118.36	387.15	3.07	-115.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCNC2=O)N=C1	REAL300000533955	0	42	-2.0	-114.43	363.39	2.77	-111.66
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCNC2=O)N=C1	REAL300000533956	0	43	-2.0	-121.69	383.69	1.64	-120.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=CC(C(=O)[O-])=C1	REAL300000533957	0	38	-3.0	-192.04	361.67	1.64	-190.40
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1	REAL300000533958	0	43	-2.0	-120.47	377.50	2.96	-117.51
CC1=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C(C(=O)[O-])O1	REAL300000533959	0	36	-2.0	-109.64	336.26	0.21	-109.43
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1	REAL300000533960	0	40	-2.0	-119.28	362.25	0.16	-119.12
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=CC=C1OCC(=O)[O-]	REAL300000533961	0	43	-2.0	-103.22	384.41	2.05	-101.17
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCNC2=O)N=C1	REAL300000533962	0	39	-2.0	-107.09	353.99	1.88	-105.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1F	REAL300000533963	0	40	-2.0	-101.78	370.55	1.41	-100.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1C(=O)[O-]	REAL300000533964	0	43	-2.0	-122.00	382.39	2.04	-119.96
CC1=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C(C(=O)[O-])S1	REAL300000533965	0	36	-2.0	-112.87	341.86	0.96	-111.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C(Cl)=C1	REAL300000533966	0	36	-2.0	-102.17	346.31	1.63	-100.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1F	REAL300000533967	0	36	-2.0	-104.08	337.79	1.10	-102.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)S1	REAL300000533968	0	33	-2.0	-106.38	325.53	0.19	-106.19
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1	REAL300000533969	0	36	-2.0	-106.71	339.66	1.12	-105.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1F	REAL300000533970	0	39	-2.0	-114.58	359.00	1.76	-112.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C(F)=C1	REAL300000533971	0	36	-2.0	-104.08	338.72	1.14	-102.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1Cl	REAL300000533972	0	36	-2.0	-102.11	345.76	1.46	-100.65
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCNC2=O)N=C1	REAL300000533973	0	39	-2.0	-108.76	362.72	2.27	-106.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=CC(F)=C1F	REAL300000533974	0	36	-2.0	-106.88	344.09	1.16	-105.72
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1	REAL300000533975	0	38	-2.0	-102.64	361.46	1.73	-100.91
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1	REAL300000533976	0	37	-2.0	-115.28	342.97	-1.23	-116.51
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1	REAL300000533977	0	39	-2.0	-108.83	355.44	1.84	-106.99
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2CCNC2=O)N=C1	REAL300000533978	0	39	-2.0	-114.42	343.32	1.70	-112.72
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=CC(C(=O)[O-])=C1F	REAL300000533979	0	39	-2.0	-114.40	358.09	1.72	-112.68
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CCNC2=O)N=C1	REAL300000533980	0	39	-2.0	-104.28	348.67	1.83	-102.45
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=CC(C(=O)[O-])=C1C	REAL300000533981	0	42	-2.0	-119.99	370.75	2.26	-117.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=CC=C1[N+](=O)[O-]	REAL300000533982	0	38	-2.0	-116.48	359.81	2.15	-114.33
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1	REAL300000533983	0	36	-2.0	-105.09	345.01	1.18	-103.91
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C(C)=C1C(=O)[O-]	REAL300000533984	0	42	-2.0	-118.65	367.74	2.44	-116.21
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1C(=O)[O-]	REAL300000533985	0	39	-2.0	-114.25	354.74	1.67	-112.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1Cl	REAL300000533986	0	39	-2.0	-113.28	365.04	2.19	-111.09
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1	REAL300000533987	0	39	-2.0	-123.42	358.29	1.75	-121.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1C(=O)[O-]	REAL300000533988	0	42	-2.0	-120.24	367.22	2.24	-118.00
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1CC(=O)[O-]	REAL300000533989	0	43	-2.0	-118.33	383.73	1.19	-117.14
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C2CCNC2=O)N=C1	REAL300000533990	0	39	-2.0	-107.41	359.54	2.24	-105.17
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000533991	0	39	-2.0	-113.24	364.48	2.02	-111.22
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1C(=O)[O-]	REAL300000533992	0	40	-2.0	-117.74	361.21	1.28	-116.46
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1C(=O)[O-]	REAL300000533993	0	39	-2.0	-112.60	367.00	2.13	-110.47
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=CC=C1C(=O)[O-]	REAL300000533994	0	39	-2.0	-104.45	349.26	1.61	-102.84
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCNC2=O)N=C1	REAL300000533995	0	39	-2.0	-113.56	353.22	1.87	-111.69
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1[N+](=O)[O-]	REAL300000533996	0	38	-2.0	-126.06	356.98	2.92	-123.14
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1F	REAL300000533997	0	36	-2.0	-122.61	336.87	1.09	-121.52
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C1C(=O)[O-]	REAL300000533998	0	39	-2.0	-110.64	358.20	1.73	-108.91
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C1	REAL300000533999	0	35	-2.0	-113.61	329.48	-0.81	-114.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CCNC2=O)N=C1	REAL300000534000	0	40	-2.0	-108.51	361.46	0.87	-107.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)=C(Cl)O1	REAL300000534001	0	33	-2.0	-104.08	333.43	0.03	-104.05
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(C4CCNC4=O)N=C3)C=C2)CC1	REAL300000534002	0	43	-2.0	-110.27	379.38	2.95	-107.32
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(C4CCNC4=O)N=C3)C=C2C1	REAL300000534003	0	43	-2.0	-113.98	378.70	2.95	-111.03
CCC1=C(S(=O)(=O)[N-]C2=CN(C3CCNC3=O)N=C2)C=C(C(=O)[O-])O1	REAL300000534004	0	39	-2.0	-109.40	355.41	1.06	-108.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)=CC=C1F	REAL300000534005	0	38	-2.0	-105.54	364.05	6.68	-98.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)C=C1	REAL300000534006	0	38	-2.0	-95.94	359.50	6.65	-89.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)=C1	REAL300000534007	0	38	-2.0	-107.93	359.52	6.64	-101.29
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)C=C1C(=O)[O-]	REAL300000534008	0	41	-2.0	-110.27	379.59	7.28	-102.99
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)=C1	REAL300000534009	0	38	-2.0	-105.61	364.99	6.70	-98.91
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)=C1	REAL300000534010	0	35	-2.0	-102.40	352.69	5.67	-96.73
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300000534011	0	41	-2.0	-109.75	374.94	7.43	-102.32
CN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)C=C1C(=O)[O-]	REAL300000534012	0	39	-2.0	-106.47	366.16	6.00	-100.47
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)=C1	REAL300000534013	0	38	-2.0	-98.76	368.63	6.32	-92.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)=CS1	REAL300000534014	0	35	-2.0	-103.75	351.17	5.68	-98.07
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000534015	0	38	-2.0	-102.74	362.52	5.79	-96.95
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000534016	0	38	-2.0	-106.00	369.20	6.53	-99.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)C=C1F	REAL300000534017	0	38	-2.0	-95.48	364.03	6.69	-88.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)S1	REAL300000534018	0	35	-2.0	-97.53	351.79	5.77	-91.76
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)=C1	REAL300000534019	0	38	-2.0	-98.92	365.91	6.70	-92.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)C(F)=C1	REAL300000534020	0	38	-2.0	-95.06	364.98	6.72	-88.34
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)=C1	REAL300000534021	0	39	-2.0	-108.98	369.23	4.37	-104.61
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)C=C1	REAL300000534022	0	41	-2.0	-99.74	381.69	7.42	-92.32
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300000534023	0	41	-2.0	-103.76	369.59	7.27	-96.49
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300000534024	0	41	-2.0	-96.34	374.93	7.42	-88.92
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)C=C1C(=O)[O-]	REAL300000534025	0	42	-2.0	-107.67	387.53	6.87	-100.80
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000534026	0	41	-2.0	-96.05	375.52	7.18	-88.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)=C1F	REAL300000534027	0	38	-2.0	-111.26	363.17	6.67	-104.59
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)=C1	REAL300000534028	0	37	-2.0	-105.53	355.73	4.77	-100.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)=C(Cl)O1	REAL300000534029	0	35	-2.0	-96.42	359.67	5.62	-90.80
CCC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=C(F)C=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000534030	0	41	-2.0	-102.75	381.65	6.64	-96.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=CC=C1F	REAL300000534031	1	36	-2.0	-105.04	334.38	6.48	-98.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C1	REAL300000534032	1	36	-2.0	-95.28	329.83	6.46	-88.82
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534033	1	36	-2.0	-107.59	329.84	6.45	-101.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CN=C2)=C1	REAL300000534034	0	40	-2.0	-112.78	357.98	6.25	-106.53
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C1	REAL300000534035	1	40	-2.0	-94.65	361.30	7.74	-86.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C1C(=O)[O-]	REAL300000534036	1	39	-2.0	-108.74	345.86	6.98	-101.76
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534037	0	36	-2.0	-102.98	342.91	7.02	-95.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=CC=C1Cl	REAL300000534038	1	36	-2.0	-103.45	342.36	6.84	-96.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1C	REAL300000534039	1	42	-2.0	-110.37	362.52	7.80	-102.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534040	0	36	-2.0	-104.66	335.32	6.51	-98.15
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C1	REAL300000534041	1	42	-2.0	-93.79	373.40	8.04	-85.75
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534042	0	33	-2.0	-101.98	323.02	5.47	-96.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CN=C2)=C1	REAL300000534043	1	39	-2.0	-108.32	345.27	7.23	-101.09
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C1C(=O)[O-]	REAL300000534045	0	37	-2.0	-105.99	336.48	5.80	-100.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534047	0	36	-2.0	-98.17	338.96	6.13	-92.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=CS1	REAL300000534049	0	33	-2.0	-103.35	321.49	5.48	-97.87
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CN=C2)=C1	REAL300000534051	1	45	-2.0	-110.34	383.74	8.45	-101.89
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CN=C2)=C1	REAL300000534052	1	42	-2.0	-106.50	359.98	8.16	-98.34
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CN=C2)=C1	REAL300000534053	0	43	-2.0	-113.37	380.27	7.01	-106.36
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534054	0	39	-2.0	-110.06	360.72	7.02	-103.04
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534054	1	38	-3.0	-183.60	358.24	7.01	-176.59
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534055	1	43	-2.0	-112.40	374.09	8.34	-104.06
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C(C(=O)[O-])O1	REAL300000534056	0	36	-2.0	-101.53	332.85	5.58	-95.95
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534057	0	40	-2.0	-108.68	358.83	5.54	-103.14
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CN=C2)=C1	REAL300000534059	1	39	-2.0	-98.89	350.55	7.27	-91.62
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C(C(=O)[O-])S1	REAL300000534061	1	36	-2.0	-104.82	338.44	6.34	-98.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C(Cl)=C1	REAL300000534062	0	36	-2.0	-92.81	342.89	7.01	-85.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C1F	REAL300000534063	1	36	-2.0	-94.81	334.36	6.49	-88.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)S1	REAL300000534064	0	33	-2.0	-96.96	322.11	5.58	-91.38
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534065	1	36	-2.0	-98.51	336.24	6.52	-91.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1F	REAL300000534066	0	39	-2.0	-106.08	355.60	7.15	-98.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C(F)=C1	REAL300000534067	0	36	-2.0	-94.72	335.30	6.52	-88.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C1Cl	REAL300000534068	1	36	-2.0	-92.83	342.34	6.85	-85.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=CC(F)=C1F	REAL300000534069	1	36	-2.0	-96.71	340.66	6.54	-90.17
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534070	0	37	-2.0	-107.04	339.55	4.15	-102.89
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534070	1	37	-2.0	-106.15	338.66	5.03	-101.12
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C1	REAL300000534071	1	39	-2.0	-98.45	352.01	7.23	-91.22
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CN=C2)=C1	REAL300000534072	1	39	-2.0	-103.98	339.91	7.09	-96.89
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=CC(C(=O)[O-])=C1F	REAL300000534073	1	39	-2.0	-106.44	354.67	7.10	-99.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=CC(C(=O)[O-])=C1C	REAL300000534075	1	42	-2.0	-112.09	366.64	7.62	-104.47
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534076	0	36	-2.0	-96.42	341.60	6.57	-89.85
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C1C(=O)[O-]	REAL300000534078	0	39	-2.0	-106.98	355.16	7.15	-99.83
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534079	0	39	-2.0	-112.70	354.88	7.14	-105.56
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C1C(=O)[O-]	REAL300000534080	1	42	-2.0	-109.43	363.78	7.63	-101.80
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C1C(=O)[O-]	REAL300000534082	0	40	-2.0	-107.28	357.86	6.67	-100.61
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=CC=C1C(=O)[O-]	REAL300000534083	1	39	-2.0	-95.45	345.84	6.99	-88.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1F	REAL300000534085	0	36	-2.0	-111.91	333.47	6.47	-105.44
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C1C(=O)[O-]	REAL300000534086	1	39	-2.0	-100.31	354.78	7.13	-93.18
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C1	REAL300000534087	0	35	-2.0	-104.52	326.82	4.50	-100.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CN=CN=C2)=C1	REAL300000534088	0	40	-2.0	-99.42	358.04	6.25	-93.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)=C(Cl)O1	REAL300000534089	0	33	-2.0	-95.45	329.99	5.43	-90.02
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=CN=CN=C4)=C3)C=C2)CC1	REAL300000534090	1	43	-2.0	-101.56	375.97	8.34	-93.22
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=CN=CN=C4)=C3)C=C2C1	REAL300000534091	1	43	-2.0	-105.49	375.28	8.35	-97.14
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CN=CN=C3)=C2)C=C(C(=O)[O-])O1	REAL300000534092	0	39	-2.0	-101.33	351.97	6.43	-94.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=CC=C1F	REAL300000534093	1	37	-2.0	-109.45	339.40	6.69	-102.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C1	REAL300000534094	1	37	-2.0	-99.58	334.85	6.66	-92.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534095	1	37	-2.0	-112.21	334.87	6.65	-105.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CN=C2)=C1	REAL300000534096	0	41	-2.0	-117.15	363.01	6.45	-110.70
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C1	REAL300000534097	1	41	-2.0	-98.69	366.32	7.95	-90.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C1C(=O)[O-]	REAL300000534098	1	40	-2.0	-114.74	354.94	7.30	-107.44
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534099	0	37	-2.0	-107.17	347.94	7.23	-99.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=CC=C1Cl	REAL300000534100	1	37	-2.0	-107.93	347.38	7.05	-100.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1C	REAL300000534101	1	43	-2.0	-114.51	367.55	8.01	-106.50
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534102	0	37	-2.0	-109.09	340.35	6.72	-102.37
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C1	REAL300000534103	1	43	-2.0	-97.85	378.44	8.25	-89.60
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534104	0	34	-2.0	-106.37	328.06	5.67	-100.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CN=C2)=C1	REAL300000534105	1	40	-2.0	-112.41	350.30	7.44	-104.97
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C1C(=O)[O-]	REAL300000534107	0	38	-2.0	-110.60	341.52	6.01	-104.59
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534109	0	37	-2.0	-102.51	343.99	6.34	-96.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=CS1	REAL300000534111	0	34	-2.0	-107.83	326.52	5.69	-102.14
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CN=C2)=C1	REAL300000534113	1	46	-2.0	-114.49	388.77	8.66	-105.83
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CN=C2)=C1	REAL300000534114	1	43	-2.0	-110.43	365.01	8.38	-102.05
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CN=C2)=C1	REAL300000534115	0	44	-2.0	-118.30	385.30	7.22	-111.08
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534116	0	40	-2.0	-110.82	369.81	7.09	-103.73
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534116	1	39	-3.0	-189.41	363.28	7.22	-182.19
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534117	1	44	-2.0	-116.66	379.12	8.55	-108.11
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C(C(=O)[O-])O1	REAL300000534118	0	37	-2.0	-105.46	337.88	5.79	-99.67
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534119	0	41	-2.0	-113.39	363.86	5.74	-107.65
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CN=C2)=C1	REAL300000534121	1	40	-2.0	-102.91	355.58	7.47	-95.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C(C(=O)[O-])S1	REAL300000534123	1	37	-2.0	-108.83	343.47	6.55	-102.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C(Cl)=C1	REAL300000534124	0	37	-2.0	-96.94	347.92	7.22	-89.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C1F	REAL300000534125	1	37	-2.0	-98.86	339.38	6.69	-92.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)S1	REAL300000534126	0	34	-2.0	-101.26	327.14	5.78	-95.48
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534127	1	37	-2.0	-102.87	341.28	6.72	-96.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1F	REAL300000534128	0	40	-2.0	-110.52	360.63	7.36	-103.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C(F)=C1	REAL300000534129	0	37	-2.0	-99.10	340.34	6.73	-92.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C1Cl	REAL300000534130	1	37	-2.0	-97.02	347.36	7.06	-89.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=CC(F)=C1F	REAL300000534131	1	37	-2.0	-100.89	345.69	6.75	-94.14
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534132	0	39	-2.0	-96.93	363.06	7.32	-89.61
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534133	0	38	-2.0	-111.02	344.59	4.37	-106.65
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534133	1	38	-2.0	-109.44	343.78	5.16	-104.28
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C1	REAL300000534134	1	40	-2.0	-102.63	357.04	7.44	-95.19
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CN=C2)=C1	REAL300000534135	1	40	-2.0	-108.82	344.94	7.29	-101.53
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=CC(C(=O)[O-])=C1F	REAL300000534136	1	40	-2.0	-110.92	359.71	7.31	-103.61
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=CC(C(=O)[O-])=C1C	REAL300000534138	1	43	-2.0	-116.75	371.67	7.82	-108.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=CC=C1[N+](=O)[O-]	REAL300000534139	0	39	-2.0	-110.08	361.43	7.74	-102.34
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534140	0	37	-2.0	-100.70	346.63	6.78	-93.92
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C1C(=O)[O-]	REAL300000534142	0	40	-2.0	-110.23	356.35	7.25	-102.98
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534143	0	40	-2.0	-117.89	359.91	7.35	-110.54
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C1C(=O)[O-]	REAL300000534144	1	43	-2.0	-114.20	369.10	7.84	-106.36
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C1C(=O)[O-]	REAL300000534146	0	41	-2.0	-111.84	362.89	6.87	-104.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=CC=C1C(=O)[O-]	REAL300000534147	1	40	-2.0	-99.71	350.88	7.20	-92.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1[N+](=O)[O-]	REAL300000534149	0	39	-2.0	-120.03	358.59	8.50	-111.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1F	REAL300000534150	0	37	-2.0	-117.06	338.49	6.68	-110.38
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C1C(=O)[O-]	REAL300000534151	1	40	-2.0	-104.78	359.81	7.33	-97.45
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300000534152	0	36	-2.0	-109.98	331.09	4.78	-105.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=CC=CN=C2)=C1	REAL300000534153	0	41	-2.0	-103.78	363.07	6.45	-97.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)=C(Cl)O1	REAL300000534154	0	34	-2.0	-99.51	335.02	5.64	-93.87
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=CC=CN=C4)=C3)C=C2)CC1	REAL300000534155	1	44	-2.0	-105.75	381.00	8.54	-97.21
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=CC=CN=C4)=C3)C=C2C1	REAL300000534156	1	44	-2.0	-110.59	380.31	8.54	-102.05
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=CC=CN=C3)=C2)C=C(C(=O)[O-])O1	REAL300000534157	0	40	-2.0	-105.17	357.00	6.64	-98.53
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CN=C1OC(F)F	REAL300000534158	1	34	-2.0	-107.78	328.59	3.15	-104.63
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CN=C1OC(F)F	REAL300000534159	1	34	-2.0	-97.93	324.04	3.14	-94.79
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CN=C1OC(F)F	REAL300000534160	0	34	-2.0	-110.16	324.04	3.12	-107.04
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(OC(F)F)C(C)=C1	REAL300000534161	0	38	-2.0	-116.40	352.19	2.93	-113.47
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CN=C1OC(F)F	REAL300000534162	0	38	-2.0	-97.91	355.51	4.43	-93.48
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000534163	1	37	-2.0	-111.30	340.06	3.66	-107.64
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CN=C1OC(F)F	REAL300000534164	0	34	-2.0	-106.55	337.12	3.71	-102.84
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CN=C1OC(F)F	REAL300000534165	0	34	-2.0	-106.10	336.56	3.52	-102.58
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CN=C1OC(F)F	REAL300000534166	1	40	-2.0	-114.16	356.72	4.48	-109.68
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CN=C1OC(F)F	REAL300000534167	0	34	-2.0	-107.97	329.52	3.20	-104.77
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CN=C1OC(F)F	REAL300000534168	0	40	-2.0	-97.25	367.63	4.72	-92.53
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CN=C1OC(F)F	REAL300000534169	0	31	-2.0	-104.47	317.23	2.16	-102.31
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(OC(F)F)C(C)=C1	REAL300000534170	1	37	-2.0	-112.14	339.48	3.92	-108.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CN=C1OC(F)F	REAL300000534171	1	38	-2.0	-96.53	355.13	3.41	-93.12
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CN=C1OC(F)F	REAL300000534172	0	35	-2.0	-108.49	330.70	2.49	-106.00
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(OC(F)F)C(C)=C1	REAL300000534173	1	38	-2.0	-112.45	348.26	1.95	-110.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(OC(F)F)C(C)=C2)=C1	REAL300000534174	0	34	-2.0	-100.62	333.16	2.81	-97.81
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(OC(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000534175	1	40	-2.0	-113.62	355.11	4.47	-109.15
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CN=C1OC(F)F	REAL300000534176	0	31	-2.0	-105.95	315.69	2.16	-103.79
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000534177	1	38	-2.0	-116.08	351.34	3.20	-112.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(OC(F)F)C(C)=C1	REAL300000534178	0	40	-2.0	-110.84	354.17	4.86	-105.98
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CN=C1OC(F)F	REAL300000534179	0	41	-2.0	-116.07	368.28	5.03	-111.04
CC1=C(S(=O)(=O)[N-]C2=CN=C(OC(F)F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000534180	0	34	-2.0	-104.76	327.04	2.27	-102.49
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C(OC(F)F)C(C)=C2)=C1	REAL300000534181	0	38	-2.0	-110.25	352.96	2.22	-108.03
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CN=C1OC(F)F	REAL300000534182	0	37	-2.0	-102.50	344.76	3.95	-98.55
CC1=C(S(=O)(=O)[N-]C2=CN=C(OC(F)F)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000534183	0	34	-2.0	-108.23	333.74	3.02	-105.21
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CN=C1OC(F)F	REAL300000534184	0	34	-2.0	-95.53	337.10	3.70	-91.83
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CN=C1OC(F)F	REAL300000534185	0	34	-2.0	-97.35	328.57	3.17	-94.18
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CN=C1OC(F)F	REAL300000534186	0	31	-2.0	-99.46	316.31	2.24	-97.22
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CN=C1OC(F)F	REAL300000534187	0	34	-2.0	-101.10	330.46	3.20	-97.90
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CN=C1OC(F)F	REAL300000534188	0	37	-2.0	-109.27	349.82	3.83	-105.44
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CN=C1OC(F)F	REAL300000534189	0	34	-2.0	-97.08	329.51	3.21	-93.87
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CN=C1OC(F)F	REAL300000534190	0	34	-2.0	-95.46	336.54	3.54	-91.92
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CN=C1OC(F)F	REAL300000534191	0	34	-2.0	-99.32	334.88	3.22	-96.10
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CN=C1OC(F)F	REAL300000534192	0	35	-2.0	-111.28	333.74	0.85	-110.43
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CN=C1OC(F)F	REAL300000534193	0	37	-2.0	-102.05	346.23	3.91	-98.14
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CN=C1OC(F)F	REAL300000534194	1	37	-2.0	-105.83	334.08	3.77	-102.06
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CN=C1OC(F)F	REAL300000534195	1	37	-2.0	-108.98	348.89	3.78	-105.20
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(OC(F)F)C(C)=C1	REAL300000534196	1	37	-2.0	-98.33	339.46	3.91	-94.42
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CN=C1OC(F)F	REAL300000534197	1	40	-2.0	-113.15	356.93	4.19	-108.96
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CN=C1OC(F)F	REAL300000534198	0	34	-2.0	-99.43	335.79	3.25	-96.18
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC(F)F)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000534199	1	40	-2.0	-110.26	357.43	4.54	-105.72
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(OC(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000534200	0	37	-2.0	-110.24	349.36	3.83	-106.41
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C(OC(F)F)C(C)=C2)=C1	REAL300000534201	0	37	-2.0	-114.04	349.08	3.82	-110.22
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(OC(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000534202	1	40	-2.0	-112.02	358.33	4.31	-107.71
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(OC(F)F)C(C)=C2)C=C1C(=O)[O-]	REAL300000534203	0	38	-2.0	-109.73	352.07	3.36	-106.37
CC1=CC(S(=O)(=O)[N-]C2=CN=C(OC(F)F)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000534204	1	37	-2.0	-97.93	340.05	3.68	-94.25
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(OC(F)F)C(C)=C1	REAL300000534205	1	37	-2.0	-109.49	344.00	3.95	-105.54
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CN=C1OC(F)F	REAL300000534206	0	34	-2.0	-113.35	327.70	3.16	-110.19
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CN=C1OC(F)F	REAL300000534207	0	37	-2.0	-102.72	348.97	3.80	-98.92
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CN=C1OC(F)F	REAL300000534208	0	33	-2.0	-108.21	321.03	1.20	-107.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(OC(F)F)C(C)=C1	REAL300000534209	0	38	-2.0	-102.14	352.25	2.94	-99.20
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CN=C1OC(F)F	REAL300000534210	0	31	-2.0	-98.31	324.19	2.11	-96.20
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CN=C1OC(F)F	REAL300000534211	0	41	-2.0	-104.92	370.17	5.01	-99.91
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CN=C1OC(F)F	REAL300000534212	0	41	-2.0	-106.92	369.51	5.01	-101.91
CCC1=C(S(=O)(=O)[N-]C2=CN=C(OC(F)F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000534213	0	37	-2.0	-104.85	346.17	3.12	-101.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NNC4=C3COCC4)=C2)C=C1	REAL300000534216	1	43	-2.0	-102.97	375.62	4.87	-98.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NNC4=C3COCC4)=C2)=C1	REAL300000534217	1	43	-2.0	-116.19	375.64	4.86	-111.33
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000534218	0	37	-3.0	-232.28	359.64	3.10	-229.18
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300000534219	0	37	-3.0	-218.91	355.08	3.08	-215.83
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000534220	0	37	-3.0	-238.19	355.10	3.07	-235.12
CC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=NN(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000534221	0	40	-3.0	-240.88	371.14	3.61	-237.27
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=CC=CC=C21	REAL300000534222	0	37	-3.0	-233.83	360.58	3.14	-230.69
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=CC=C21	REAL300000534223	0	34	-3.0	-228.70	348.28	2.10	-226.60
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=NN(C)C2=CC=CC=C21	REAL300000534224	0	40	-3.0	-234.73	370.54	3.84	-230.89
CN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=NN(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000534225	0	38	-3.0	-235.46	361.76	2.43	-233.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=NN(C)C3=CC=CC=C32)=C1	REAL300000534226	0	37	-3.0	-223.37	364.22	2.76	-220.61
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000534227	0	34	-3.0	-230.97	346.75	2.10	-228.87
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NN(C)C3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000534228	0	37	-3.0	-223.73	358.11	2.22	-221.51
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NN(C)C3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300000534229	0	37	-3.0	-228.99	363.70	2.96	-226.03
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC=CC=C21	REAL300000534230	0	37	-3.0	-216.31	359.64	3.12	-213.19
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=CC=C21	REAL300000534231	0	34	-3.0	-221.16	347.37	2.20	-218.96
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000534232	0	37	-3.0	-226.05	361.51	3.14	-222.91
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=CC=CC=C21	REAL300000534233	0	37	-3.0	-219.93	360.59	3.15	-216.78
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=CC=CC=C21	REAL300000534234	0	38	-3.0	-231.71	364.82	0.79	-230.92
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=CC=CC=C21	REAL300000534235	0	40	-3.0	-223.27	377.27	3.86	-219.41
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NN(C)C2=CC=CC=C21	REAL300000534236	0	40	-3.0	-236.44	365.17	3.70	-232.74
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=NN(C)C2=CC=CC=C21	REAL300000534237	0	40	-3.0	-217.72	370.52	3.83	-213.89
CCN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=NN(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300000534238	0	41	-3.0	-237.37	383.13	3.30	-234.07
CC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=NN(C)C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000534239	0	40	-3.0	-219.89	371.11	3.62	-216.27
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=CC=CC=C21	REAL300000534240	0	37	-3.0	-246.61	358.72	3.10	-243.51
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=CC=C21	REAL300000534241	0	36	-3.0	-236.14	351.32	1.20	-234.94
CN1N=C(C(=O)[N-][N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000534242	0	34	-3.0	-217.08	355.25	2.04	-215.04
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=NN(C)C3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300000534243	0	40	-3.0	-222.98	377.23	3.00	-219.98
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000534244	1	42	-2.0	-81.09	384.41	5.49	-75.60
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000534245	1	35	-2.0	-96.99	332.46	6.93	-90.06
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000534246	0	43	-2.0	-97.72	387.55	7.99	-89.73
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000534247	1	35	-2.0	-87.40	327.92	6.91	-80.49
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000534248	1	35	-2.0	-98.94	327.93	6.90	-92.04
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000534249	0	39	-2.0	-104.41	356.07	6.70	-97.71
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000534250	1	39	-2.0	-86.88	359.40	8.20	-78.68
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000534251	1	38	-2.0	-100.16	343.94	7.44	-92.72
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000534252	0	35	-2.0	-95.05	341.00	7.48	-87.57
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000534253	1	35	-2.0	-95.15	340.43	7.30	-87.85
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000534254	0	35	-2.0	-90.83	353.51	7.85	-82.98
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000534255	1	41	-2.0	-102.41	360.60	8.26	-94.15
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000534256	0	35	-2.0	-96.47	333.40	6.97	-89.50
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000534257	1	41	-2.0	-86.03	371.51	8.49	-77.54
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000534258	0	32	-2.0	-93.66	321.11	5.93	-87.73
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000534259	1	38	-2.0	-100.33	343.36	7.70	-92.63
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000534261	0	36	-2.0	-97.37	334.58	6.26	-91.11
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000534263	0	35	-2.0	-90.06	337.04	6.59	-83.47
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000534265	0	32	-2.0	-95.10	319.59	5.95	-89.15
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000534266	1	43	-2.0	-99.48	386.26	6.71	-92.77
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000534268	1	45	-2.0	-103.87	383.11	9.54	-94.33
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000534269	1	44	-2.0	-102.04	379.87	8.85	-93.19
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C#N)C=C1CC	REAL300000534270	1	41	-2.0	-98.65	348.35	8.32	-90.33
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000534271	0	42	-2.0	-103.95	378.36	7.47	-96.48
CCC1=CC(C#N)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000534272	0	38	-2.0	-108.51	354.80	7.40	-101.11
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000534272	1	37	-3.0	-173.37	356.35	7.47	-165.90
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000534273	1	42	-2.0	-104.24	372.17	8.80	-95.44
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000534274	0	35	-2.0	-93.85	330.95	6.05	-87.80
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000534275	1	41	-2.0	-103.84	370.11	6.68	-97.16
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000534276	0	39	-2.0	-99.22	356.85	6.00	-93.22
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000534277	1	43	-2.0	-85.76	380.85	7.51	-78.25
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000534278	1	35	-2.0	-88.98	355.62	7.75	-81.23
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000534279	0	35	-2.0	-92.22	345.52	7.49	-84.73
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000534280	1	39	-2.0	-84.25	375.02	7.73	-76.52
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000534282	1	38	-2.0	-91.26	348.64	7.73	-83.53
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000534283	1	39	-2.0	-85.35	365.22	7.25	-78.10
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000534285	0	35	-2.0	-97.00	336.57	6.80	-90.20
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000534286	0	35	-2.0	-89.02	356.17	7.92	-81.10
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000534287	0	35	-2.0	-84.94	340.99	7.46	-77.48
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000534288	1	35	-2.0	-87.19	332.44	6.94	-80.25
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000534289	0	32	-2.0	-88.97	320.20	6.03	-82.94
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000534290	1	35	-2.0	-90.39	334.35	6.97	-83.42
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000534291	0	38	-2.0	-97.76	353.69	7.60	-90.16
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000534292	0	39	-2.0	-89.63	368.24	7.53	-82.10
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000534293	0	35	-2.0	-86.55	333.39	6.98	-79.57
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000534294	1	35	-2.0	-85.00	340.41	7.31	-77.69
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000534295	1	38	-2.0	-92.88	357.37	8.12	-84.76
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000534296	1	43	-2.0	-83.85	391.68	8.32	-75.53
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000534297	1	35	-2.0	-88.76	338.76	7.00	-81.76
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000534298	0	37	-2.0	-84.76	356.13	7.57	-77.19
CCC1=CC(C#N)=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000534299	0	36	-2.0	-101.26	328.87	5.44	-95.82
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000534299	1	36	-2.0	-99.36	337.65	4.61	-94.75
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000534300	1	38	-2.0	-90.58	350.11	7.69	-82.89
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000534301	1	35	-2.0	-90.03	348.65	7.43	-82.60
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000534302	1	38	-2.0	-94.70	337.97	7.55	-87.15
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000534303	1	38	-2.0	-98.23	352.78	7.55	-90.68
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000534305	1	41	-2.0	-101.97	360.81	7.97	-94.00
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000534306	0	37	-2.0	-98.31	354.48	7.99	-90.32
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000534307	0	35	-2.0	-88.40	339.68	7.03	-81.37
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000534309	0	38	-2.0	-97.45	349.40	7.50	-89.95
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000534310	0	38	-2.0	-96.70	359.72	8.04	-88.66
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000534311	0	38	-2.0	-103.25	352.97	7.60	-95.65
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2CC)C=C1C(=O)[O-]	REAL300000534312	1	41	-2.0	-100.70	362.16	8.09	-92.61
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000534313	1	42	-2.0	-100.61	378.39	7.03	-93.58
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000534314	1	38	-2.0	-88.51	354.19	8.09	-80.42
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000534315	1	38	-2.0	-84.17	358.04	7.72	-76.45
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000534316	1	38	-2.0	-96.87	359.16	7.86	-89.01
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000534317	0	39	-2.0	-98.53	355.97	7.13	-91.40
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000534319	1	38	-2.0	-92.31	357.81	7.87	-84.44
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000534320	0	44	-2.0	-99.68	381.44	8.72	-90.96
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000534321	0	39	-2.0	-100.64	368.26	7.53	-93.11
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000534322	1	38	-2.0	-87.39	343.93	7.45	-79.94
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000534323	0	40	-2.0	-90.74	368.17	8.98	-81.76
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000534324	1	38	-2.0	-98.14	347.88	7.73	-90.41
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000534325	0	37	-2.0	-104.85	348.49	8.64	-96.21
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000534326	0	35	-2.0	-102.49	331.57	6.93	-95.56
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000534327	1	38	-2.0	-90.77	349.11	7.48	-83.29
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000534328	1	41	-2.0	-106.97	368.98	9.02	-97.95
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000534329	0	34	-2.0	-96.75	324.15	5.03	-91.72
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000534330	0	39	-2.0	-91.13	356.13	6.71	-84.42
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000534331	0	32	-2.0	-87.84	328.03	5.89	-81.95
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000534332	1	42	-2.0	-92.82	372.53	8.75	-84.07
CCC1=CC(C#N)=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000534333	1	42	-2.0	-95.22	372.02	8.77	-86.45
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C#N)C=C2CC)C=C(C(=O)[O-])O1	REAL300000534334	0	38	-2.0	-93.61	345.51	6.78	-86.83
COC(=O)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1	REAL300000534351	0	42	-2.0	-117.72	363.37	6.72	-111.00
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000534361	0	41	-2.0	-106.45	366.31	3.19	-103.26
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000534362	0	41	-2.0	-99.48	362.45	3.14	-96.34
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000534363	0	41	-2.0	-108.74	362.05	3.11	-105.63
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000534364	0	45	-2.0	-115.23	389.82	2.82	-112.41
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000534365	0	45	-2.0	-99.29	393.93	4.43	-94.86
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000534366	0	44	-2.0	-111.67	381.58	3.79	-107.88
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000534367	0	47	-2.0	-112.15	394.07	4.41	-107.74
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000534368	0	41	-2.0	-107.58	367.16	3.20	-104.38
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000534369	0	47	-2.0	-98.19	406.04	4.72	-93.47
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000534370	0	38	-2.0	-104.64	354.86	2.18	-102.46
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000534371	0	44	-2.0	-110.16	377.11	3.89	-106.27
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000534372	0	45	-2.0	-97.65	393.54	3.42	-94.23
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000534373	0	42	-2.0	-107.96	368.69	2.49	-105.47
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000534374	0	45	-2.0	-108.98	386.05	1.90	-107.08
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000534375	0	41	-2.0	-103.35	371.15	2.81	-100.54
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000534376	0	47	-2.0	-109.64	392.95	4.54	-105.10
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000534377	0	38	-2.0	-105.11	353.69	2.17	-102.94
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000534378	0	45	-2.0	-114.52	389.34	3.18	-111.34
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000534379	0	47	-2.0	-108.44	391.82	4.82	-103.62
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000534380	0	41	-2.0	-104.30	364.78	2.29	-102.01
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000534381	0	45	-2.0	-115.04	390.64	2.11	-112.93
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000534382	0	44	-2.0	-101.09	382.76	3.89	-97.20
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000534383	0	41	-2.0	-107.21	370.28	3.01	-104.20
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000534384	0	41	-2.0	-99.62	366.58	3.17	-96.45
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000534385	0	38	-2.0	-101.95	354.31	2.25	-99.70
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000534386	0	41	-2.0	-101.11	368.08	3.21	-97.90
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000534387	0	44	-2.0	-107.56	387.60	3.82	-103.74
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000534388	0	41	-2.0	-99.95	367.14	3.21	-96.74
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000534389	0	41	-3.0	-208.09	367.83	1.61	-206.48
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000534389	1	42	-2.0	-109.59	371.39	0.72	-108.87
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000534390	0	44	-2.0	-103.10	384.64	3.92	-99.18
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000534391	0	44	-2.0	-110.02	372.01	3.67	-106.35
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000534392	0	44	-2.0	-113.86	386.88	3.77	-110.09
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000534393	0	44	-2.0	-99.63	377.09	3.87	-95.76
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000534394	0	47	-2.0	-111.04	394.64	4.31	-106.73
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000534395	0	47	-2.0	-112.11	397.05	4.29	-107.82
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000534396	0	44	-2.0	-106.27	382.49	3.83	-102.44
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000534397	0	44	-2.0	-119.52	386.69	3.83	-115.69
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000534398	0	47	-2.0	-116.74	396.28	4.32	-112.42
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000534399	0	45	-2.0	-113.98	390.01	3.35	-110.63
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000534400	0	44	-2.0	-101.37	380.92	3.76	-97.61
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000534401	0	44	-2.0	-106.22	381.80	3.90	-102.32
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000534402	0	41	-2.0	-118.41	365.71	3.15	-115.26
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000534403	0	44	-2.0	-104.91	383.07	3.79	-101.12
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000534404	0	40	-2.0	-111.35	357.89	1.26	-110.09
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000534405	0	45	-2.0	-104.12	389.88	2.81	-101.31
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000534406	0	38	-2.0	-99.08	361.92	2.13	-96.95
CCCC1=NN(C)C(C(N)=O)=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000534407	0	44	-2.0	-104.09	383.88	3.13	-100.96
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000534408	0	35	-2.0	-101.99	335.53	2.89	-99.10
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(O)=C1	REAL300000534409	0	35	-2.0	-91.58	330.99	2.87	-88.71
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000534410	0	35	-2.0	-102.36	331.00	2.86	-99.50
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(O)=C1	REAL300000534411	0	39	-2.0	-107.30	359.14	2.66	-104.64
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(O)=C1	REAL300000534412	0	39	-2.0	-91.16	362.45	4.15	-87.01
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000534413	0	38	-2.0	-103.33	347.02	3.39	-99.94
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(O)=C1	REAL300000534414	0	35	-2.0	-99.31	344.08	3.42	-95.89
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(O)=C1	REAL300000534415	0	35	-2.0	-100.11	343.51	3.25	-96.86
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(O)=C1	REAL300000534416	0	41	-2.0	-106.64	364.11	4.19	-102.45
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(O)=C1	REAL300000534417	0	35	-2.0	-100.54	336.47	2.92	-97.62
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(O)=C1	REAL300000534418	0	41	-2.0	-90.37	374.58	4.45	-85.92
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(O)=C1	REAL300000534419	0	32	-2.0	-98.48	324.19	1.87	-96.61
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(O)=C1	REAL300000534420	0	38	-2.0	-104.91	346.44	3.64	-101.27
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(O)=C1	REAL300000534421	0	39	-2.0	-89.94	362.07	3.14	-86.80
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000534422	0	36	-2.0	-102.38	337.65	2.22	-100.16
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C(O)=C1	REAL300000534423	0	39	-2.0	-105.66	354.78	1.70	-103.96
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C(O)=C1	REAL300000534424	0	35	-2.0	-93.80	340.11	2.54	-91.26
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C(O)=C1	REAL300000534425	0	41	-2.0	-107.44	366.45	4.28	-103.16
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(O)=C1	REAL300000534426	0	32	-2.0	-98.51	322.65	1.90	-96.61
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(O)=C1	REAL300000534427	0	39	-2.0	-110.01	358.29	2.93	-107.08
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C(O)=C1	REAL300000534428	0	44	-2.0	-106.78	384.90	4.87	-101.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)OC)C=C1O	REAL300000534429	0	41	-2.0	-103.46	361.13	4.59	-98.87
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C(O)=C1	REAL300000534430	0	42	-2.0	-107.80	381.43	3.43	-104.37
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000534431	0	37	-3.0	-177.31	359.41	3.42	-173.89
COC(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000534431	1	38	-2.0	-106.78	359.31	3.35	-103.43
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(O)=C1	REAL300000534432	0	42	-2.0	-106.87	375.25	4.76	-102.11
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(O)=C1	REAL300000534433	0	35	-2.0	-96.78	334.01	2.01	-94.77
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C(O)=C1	REAL300000534434	0	39	-2.0	-103.71	359.92	1.96	-101.75
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C(O)=C1	REAL300000534435	0	42	-2.0	-90.31	382.16	3.85	-86.46
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C(O)=C1	REAL300000534436	0	38	-2.0	-95.73	351.71	3.68	-92.05
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(O)=C1	REAL300000534437	0	39	-2.0	-89.54	368.31	3.21	-86.33
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2O)C=C1C(=O)[O-]	REAL300000534438	0	42	-2.0	-108.77	380.15	3.84	-104.93
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C(O)=C1	REAL300000534439	0	35	-2.0	-101.29	340.69	2.74	-98.55
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(O)=C1	REAL300000534440	0	35	-2.0	-89.30	344.05	3.42	-85.88
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(O)=C1	REAL300000534441	0	35	-2.0	-91.21	335.54	2.90	-88.31
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(O)=C1	REAL300000534442	0	32	-2.0	-92.78	323.27	1.99	-90.79
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(O)=C1	REAL300000534443	0	35	-2.0	-93.78	337.42	2.93	-90.85
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C(O)=C1	REAL300000534444	0	38	-2.0	-101.84	356.75	3.56	-98.28
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(O)=C1	REAL300000534445	0	35	-2.0	-91.01	336.46	2.93	-88.08
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(O)=C1	REAL300000534446	0	35	-2.0	-89.18	343.51	3.26	-85.92
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(O)=C1	REAL300000534447	0	38	-2.0	-97.33	360.45	4.06	-93.27
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000534448	0	35	-2.0	-93.72	341.82	2.95	-90.77
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(O)=C1	REAL300000534449	0	37	-2.0	-88.29	359.19	3.53	-84.76
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(O)=C1	REAL300000534450	0	36	-2.0	-103.64	340.72	0.56	-103.08
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(O)=C1	REAL300000534451	0	38	-2.0	-94.44	353.18	3.65	-90.79
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(O)=C1	REAL300000534452	0	38	-2.0	-99.09	341.04	3.50	-95.59
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C(O)=C1	REAL300000534453	0	38	-2.0	-101.49	355.84	3.51	-97.98
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C(O)=C1	REAL300000534454	0	38	-2.0	-92.12	346.41	3.63	-88.49
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000534455	0	41	-2.0	-105.13	363.88	3.93	-101.20
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(O)=C1	REAL300000534456	0	37	-2.0	-101.45	357.58	3.96	-97.49
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(O)=C1	REAL300000534457	0	35	-2.0	-92.32	342.74	2.99	-89.33
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C(O)=C1	REAL300000534458	0	41	-2.0	-103.48	364.53	4.26	-99.22
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C(O)=C1	REAL300000534459	0	38	-2.0	-102.77	356.32	3.56	-99.21
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C(O)=C1	REAL300000534460	0	38	-2.0	-100.99	362.79	4.00	-96.99
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C(O)=C1	REAL300000534461	0	38	-2.0	-107.07	356.05	3.55	-103.52
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2O)C=C1C(=O)[O-]	REAL300000534462	0	41	-2.0	-103.99	364.97	4.05	-99.94
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C(O)=C1	REAL300000534463	0	42	-2.0	-106.64	381.48	2.99	-103.65
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C(O)=C1	REAL300000534464	0	38	-2.0	-92.64	357.27	4.03	-88.61
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C(O)=C1	REAL300000534465	0	38	-2.0	-100.14	362.23	3.82	-96.32
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2O)C=C1C(=O)[O-]	REAL300000534466	0	39	-2.0	-103.66	359.02	3.08	-100.58
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000534467	0	38	-2.0	-97.36	360.87	3.83	-93.53
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(O)=C1	REAL300000534468	0	38	-2.0	-93.23	351.07	3.51	-89.72
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C(O)=C1	REAL300000534469	0	38	-2.0	-100.76	350.95	3.67	-97.09
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(O)=C1	REAL300000534470	0	37	-2.0	-109.16	354.74	4.72	-104.44
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(O)=C1	REAL300000534471	0	35	-2.0	-106.42	334.66	2.90	-103.52
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C(O)=C1	REAL300000534472	0	38	-2.0	-95.70	352.17	3.43	-92.27
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(O)=C1	REAL300000534473	0	34	-2.0	-100.22	327.22	0.98	-99.24
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(O)=C1	REAL300000534474	0	39	-2.0	-95.44	359.21	2.66	-92.78
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(O)=C1	REAL300000534475	0	32	-2.0	-91.23	331.11	1.83	-89.40
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(O)=C1	REAL300000534476	0	42	-2.0	-98.10	377.13	4.75	-93.35
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(O)=C1	REAL300000534477	0	42	-2.0	-100.07	375.09	4.73	-95.34
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OC)C=C2O)C=C(C(=O)[O-])O1	REAL300000534478	0	38	-2.0	-98.17	353.12	2.86	-95.31
CC1=CC=CC(C)=C1NNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000534509	0	39	-2.0	-107.38	346.41	6.40	-100.98
CC1=CC=CC(C)=C1NNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000534540	0	37	-2.0	-104.38	317.09	4.83	-99.55
CC1=CC=CC(C)=C1N[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000534566	1	41	-2.0	-97.68	362.79	8.22	-89.46
CC1=CC=CC(C)=C1N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000534574	1	33	-2.0	-95.15	321.38	5.07	-90.08
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000534578	0	32	-2.0	-107.27	310.70	4.81	-102.46
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=NSN=C2C=C1	REAL300000534579	0	32	-2.0	-97.34	306.16	4.79	-92.55
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000534580	0	32	-2.0	-109.85	306.17	4.78	-105.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NSN=C21	REAL300000534581	0	36	-2.0	-115.62	334.31	4.58	-111.04
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2=NSN=C2C=C1	REAL300000534582	0	36	-2.0	-96.42	337.61	6.09	-90.33
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000534583	0	35	-2.0	-111.13	322.19	5.32	-105.81
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C2=NSN=C2C=C1	REAL300000534584	0	32	-2.0	-105.71	319.24	5.35	-100.36
CC1=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000534585	0	32	-2.0	-105.77	318.67	5.17	-100.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)=C1C	REAL300000534586	0	38	-2.0	-113.24	339.27	6.11	-107.13
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=NSN=C2C=C1	REAL300000534587	0	32	-2.0	-107.69	311.64	4.84	-102.85
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C2=NSN=C2C=C1	REAL300000534588	0	38	-2.0	-95.77	349.74	6.37	-89.40
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=NSN=C2C=C1	REAL300000534589	0	29	-2.0	-104.62	299.36	3.81	-100.81
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NSN=C21	REAL300000534590	0	35	-2.0	-111.29	321.60	5.56	-105.73
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2=NSN=C2C=C1	REAL300000534591	0	36	-2.0	-95.09	337.22	5.07	-90.02
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000534592	0	33	-2.0	-108.05	312.82	4.14	-103.91
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NSN=C21	REAL300000534593	0	36	-2.0	-112.08	329.95	3.63	-108.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)=C1	REAL300000534594	0	32	-2.0	-100.52	315.28	4.47	-96.05
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000534595	0	38	-2.0	-113.88	341.62	6.20	-107.68
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000534596	0	29	-2.0	-105.73	297.82	3.82	-101.91
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000534597	0	36	-2.0	-115.84	333.46	4.85	-110.99
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C2=NSN=C2C=C1	REAL300000534598	0	41	-2.0	-113.42	360.07	6.80	-106.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NSN=C21	REAL300000534599	0	38	-2.0	-109.67	335.15	6.47	-103.20
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NSN=C21	REAL300000534600	0	39	-2.0	-115.35	356.59	5.34	-110.01
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000534601	0	34	-3.0	-186.48	334.57	5.35	-181.13
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C2=NSN=C2C=C1	REAL300000534602	0	39	-2.0	-115.75	350.41	6.68	-109.07
CC1=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)C=C(C(=O)[O-])O1	REAL300000534603	0	32	-2.0	-104.50	309.17	3.93	-100.57
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)=C1	REAL300000534604	0	36	-2.0	-110.32	335.15	3.86	-106.46
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)=CC=C1OCC(=O)[O-]	REAL300000534605	0	39	-2.0	-95.64	357.31	5.77	-89.87
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C2=NSN=C2C=C1	REAL300000534606	0	35	-2.0	-101.94	326.88	5.60	-96.34
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C2=NSN=C2C=C1	REAL300000534607	0	36	-2.0	-94.69	343.46	5.13	-89.56
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000534608	0	39	-2.0	-116.34	355.30	5.76	-110.58
CC1=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)C=C(C(=O)[O-])S1	REAL300000534609	0	32	-2.0	-107.51	315.86	4.67	-102.84
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C2=NSN=C2C=C1	REAL300000534610	0	32	-2.0	-94.58	319.22	5.34	-89.24
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=NSN=C2C=C1	REAL300000534611	0	32	-2.0	-96.89	310.70	4.82	-92.07
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=NSN=C2C=C1	REAL300000534612	0	29	-2.0	-99.37	298.43	3.91	-95.46
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000534613	0	32	-2.0	-100.86	312.59	4.85	-96.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)=C1F	REAL300000534614	0	35	-2.0	-109.28	331.92	5.49	-103.79
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=NSN=C2C=C1	REAL300000534615	0	32	-2.0	-96.79	311.63	4.85	-91.94
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=NSN=C2C=C1	REAL300000534616	0	32	-2.0	-94.94	318.67	5.18	-89.76
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C2=NSN=C2C=C1	REAL300000534617	0	35	-2.0	-103.59	335.61	5.98	-97.61
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000534618	0	32	-2.0	-98.95	316.99	4.87	-94.08
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000534619	0	34	-2.0	-95.13	334.35	5.45	-89.68
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=NSN=C2C=C1	REAL300000534620	0	33	-2.0	-110.44	315.88	2.48	-107.96
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=NSN=C2C=C1	REAL300000534621	0	35	-2.0	-101.21	328.35	5.57	-95.64
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C2=NSN=C2C=C1	REAL300000534622	0	35	-2.0	-105.22	316.21	5.41	-99.81
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)=CC(C(=O)[O-])=C1F	REAL300000534623	0	35	-2.0	-108.76	331.00	5.43	-103.33
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NSN=C21	REAL300000534624	0	35	-2.0	-97.61	321.58	5.55	-92.06
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)=CC(C(=O)[O-])=C1C	REAL300000534625	0	38	-2.0	-113.11	339.05	5.85	-107.26
CC1=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000534626	0	34	-2.0	-108.12	332.72	5.88	-102.24
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C2=NSN=C2C=C1	REAL300000534627	0	32	-2.0	-99.36	317.90	4.92	-94.44
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)C(C)=C1C(=O)[O-]	REAL300000534628	0	38	-2.0	-109.78	339.70	6.18	-103.60
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000534629	0	35	-2.0	-110.08	331.48	5.48	-104.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)=C1Cl	REAL300000534630	0	35	-2.0	-107.60	337.95	5.93	-101.67
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)=C1	REAL300000534631	0	35	-2.0	-114.10	331.20	5.47	-108.63
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000534632	0	38	-2.0	-111.88	340.49	5.97	-105.91
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)C=C1CC(=O)[O-]	REAL300000534633	0	39	-2.0	-111.62	356.63	4.91	-106.71
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C2=NSN=C2C=C1	REAL300000534634	0	35	-2.0	-98.86	332.43	5.97	-92.89
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)=CC(C(=O)[O-])=C1Cl	REAL300000534635	0	35	-2.0	-107.62	337.39	5.74	-101.88
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)C=C1C(=O)[O-]	REAL300000534636	0	36	-2.0	-109.40	334.19	5.00	-104.40
CC1=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000534637	0	35	-2.0	-103.37	336.03	5.75	-97.62
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)=CC=C1C(=O)[O-]	REAL300000534638	0	35	-2.0	-97.55	322.17	5.33	-92.22
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NSN=C21	REAL300000534639	0	35	-2.0	-109.03	325.70	5.63	-103.40
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C2=NSN=C2C=C1	REAL300000534640	0	34	-2.0	-115.86	329.89	6.63	-109.23
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=NSN=C2C=C1	REAL300000534641	0	32	-2.0	-113.18	309.81	4.81	-108.37
CC1=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000534642	0	35	-2.0	-101.77	327.33	5.35	-96.42
CC1=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000534643	0	38	-2.0	-118.33	347.21	6.91	-111.42
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=NSN=C2C=C1	REAL300000534644	0	31	-2.0	-107.99	302.38	2.91	-105.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC2=NSN=C21	REAL300000534645	0	36	-2.0	-101.47	334.37	4.57	-96.90
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000534646	0	29	-2.0	-98.41	306.27	3.77	-94.64
CC1=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C2=NSN=C2C=C1	REAL300000534647	0	39	-2.0	-104.01	352.30	6.67	-97.34
CC1=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C2=NSN=C2C=C1	REAL300000534648	0	39	-2.0	-105.93	350.25	6.65	-99.28
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=CC3=NSN=C32)C=C(C(=O)[O-])O1	REAL300000534649	0	35	-2.0	-104.42	328.29	4.78	-99.64
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1	REAL300000534650	1	42	-2.0	-89.49	371.36	5.70	-83.79
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000534652	0	43	-2.0	-107.47	374.51	8.20	-99.27
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534653	0	35	-2.0	-103.76	331.30	7.82	-95.94
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534655	1	35	-2.0	-108.86	314.90	7.10	-101.76
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000534656	0	39	-2.0	-114.72	343.02	6.91	-107.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC=C1Br	REAL300000534657	1	35	-2.0	-104.14	331.13	7.59	-96.55
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534660	0	35	-2.0	-104.49	327.96	7.67	-96.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC=C1Cl	REAL300000534661	1	35	-2.0	-104.52	327.39	7.49	-97.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C(Cl)C=C1Cl	REAL300000534662	0	35	-2.0	-99.99	340.44	8.06	-91.93
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534664	0	35	-2.0	-106.25	320.36	7.16	-99.09
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1	REAL300000534665	1	41	-2.0	-94.99	358.46	8.69	-86.30
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534666	0	32	-2.0	-102.94	308.07	6.13	-96.81
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000534669	1	36	-2.0	-107.18	321.53	6.46	-100.72
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534671	0	35	-2.0	-99.00	324.01	6.79	-92.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CS1	REAL300000534673	1	32	-2.0	-104.44	306.53	6.14	-98.30
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000534677	1	44	-2.0	-112.28	368.78	9.11	-103.17
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000534679	0	42	-2.0	-115.20	365.32	7.67	-107.53
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3CC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000534680	0	38	-2.0	-108.24	346.00	7.63	-100.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC(C(=O)[O-])=C1	REAL300000534680	1	37	-3.0	-184.35	343.30	7.68	-176.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000534682	0	35	-2.0	-102.53	317.89	6.26	-96.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534684	0	39	-2.0	-109.90	343.85	6.20	-103.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC(Cl)=C1Cl	REAL300000534686	1	35	-2.0	-98.25	342.57	7.96	-90.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C(Cl)C=C1F	REAL300000534687	0	35	-2.0	-100.98	332.48	7.70	-93.28
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1F	REAL300000534690	1	45	-2.0	-93.29	394.63	8.35	-84.94
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000534691	1	38	-2.0	-100.14	335.59	7.93	-92.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1F	REAL300000534693	1	39	-2.0	-93.63	352.19	7.45	-86.18
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C(C(=O)[O-])S1	REAL300000534695	1	35	-2.0	-105.98	324.57	7.00	-98.98
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534696	0	35	-2.0	-98.11	343.10	8.12	-89.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C(Cl)=C1	REAL300000534697	1	35	-2.0	-93.58	327.93	7.67	-85.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C(Br)=C1	REAL300000534698	1	35	-2.0	-92.99	331.28	7.82	-85.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1F	REAL300000534699	1	35	-2.0	-95.41	319.42	7.15	-88.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)S1	REAL300000534700	0	32	-2.0	-97.80	307.15	6.23	-91.57
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534701	1	35	-2.0	-99.47	321.30	7.17	-92.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1F	REAL300000534702	0	38	-2.0	-107.80	340.63	7.80	-100.00
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000534703	0	39	-2.0	-98.21	355.18	7.73	-90.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C(F)=C1	REAL300000534704	0	35	-2.0	-95.53	320.35	7.18	-88.35
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000534706	1	38	-2.0	-101.93	344.33	8.30	-93.63
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1	REAL300000534707	1	43	-2.0	-92.28	378.63	8.52	-83.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC(F)=C1F	REAL300000534709	1	35	-2.0	-97.46	325.71	7.20	-90.26
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534710	1	37	-2.0	-93.48	343.07	7.77	-85.71
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534711	0	36	-2.0	-108.86	324.60	4.82	-104.04
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3CC3)C=C2)=C1	REAL300000534711	1	36	-2.0	-105.75	323.81	5.61	-100.14
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1	REAL300000534712	1	38	-2.0	-100.48	337.06	7.89	-92.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC(Cl)=C1F	REAL300000534713	1	35	-2.0	-99.02	335.60	7.64	-91.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC=C1[N+](=O)[O-]	REAL300000534718	1	37	-2.0	-106.75	341.46	8.20	-98.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534719	0	35	-2.0	-97.63	326.64	7.24	-90.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000534721	0	38	-2.0	-107.49	336.36	7.71	-99.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1Cl	REAL300000534722	0	38	-2.0	-106.34	346.66	8.24	-98.10
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534723	0	38	-2.0	-113.69	339.91	7.80	-105.89
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000534726	1	38	-2.0	-98.03	341.15	8.29	-89.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000534728	1	38	-2.0	-106.44	346.10	8.08	-98.36
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534729	1	35	-2.0	-101.42	336.18	7.72	-93.70
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000534730	1	39	-2.0	-108.45	342.89	7.32	-101.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C(F)C(Cl)=C1F	REAL300000534732	0	35	-2.0	-96.24	340.49	7.67	-88.57
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C(C(=O)[O-])S1	REAL300000534734	1	44	-2.0	-105.73	364.32	9.25	-96.48
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000534735	1	39	-2.0	-110.08	355.20	7.74	-102.34
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C([N+](=O)[O-])=C1	REAL300000534737	0	40	-2.0	-101.33	358.15	9.29	-92.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1[N+](=O)[O-]	REAL300000534739	0	37	-2.0	-116.06	338.60	8.96	-107.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1F	REAL300000534740	0	35	-2.0	-112.90	318.54	7.15	-105.75
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C1C(=O)[O-]	REAL300000534741	1	38	-2.0	-100.39	336.06	7.67	-92.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=CC2=CC=CC=C21	REAL300000534742	1	41	-2.0	-117.37	355.92	9.23	-108.14
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C1	REAL300000534743	0	34	-2.0	-106.62	311.10	5.23	-101.39
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2CC2)C=C1	REAL300000534744	0	39	-2.0	-100.55	343.09	6.91	-93.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)=C(Cl)O1	REAL300000534745	0	32	-2.0	-96.26	315.02	6.10	-90.16
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4CC4)C=C3)C=C2)CC1	REAL300000534746	1	42	-2.0	-102.84	361.01	8.99	-93.85
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4CC4)C=C3)C=C2C1	REAL300000534747	1	42	-2.0	-105.60	360.33	8.99	-96.61
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000534748	0	38	-2.0	-102.50	337.01	7.11	-95.39
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1Cl	REAL300000534753	0	29	-2.0	-114.11	296.88	2.88	-111.23
O=C([O-])C1=CC(O)=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1Cl	REAL300000534754	0	32	-2.0	-95.94	321.29	2.27	-93.67
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1Cl	REAL300000534758	1	29	-2.0	-104.17	310.59	3.20	-100.97
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=CC=C1F	REAL300000534760	0	32	-2.0	-105.57	320.78	3.14	-102.43
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000534764	1	32	-2.0	-102.50	304.62	0.45	-102.05
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C1	REAL300000534767	0	32	-2.0	-99.98	316.18	3.11	-96.87
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000534771	1	31	-2.0	-98.24	301.46	1.57	-96.67
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000534773	0	32	-2.0	-105.48	316.30	3.10	-102.38
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C1	REAL300000534793	0	36	-2.0	-100.36	347.68	4.40	-95.96
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1Cl	REAL300000534794	1	29	-2.0	-108.25	311.98	3.93	-104.32
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1Cl	REAL300000534795	1	26	-2.0	-99.99	297.36	2.23	-97.76
CC1=CC=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C1C(=O)[O-]	REAL300000534798	0	35	-2.0	-100.74	332.13	3.63	-97.11
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1Cl	REAL300000534799	1	29	-2.0	-102.80	306.43	2.80	-100.00
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CS2)=C1Cl	REAL300000534804	1	26	-2.0	-105.35	280.30	1.62	-103.73
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1Cl	REAL300000534806	1	31	-2.0	-119.15	309.47	4.03	-115.12
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1Cl	REAL300000534809	1	29	-2.0	-103.54	300.26	2.74	-100.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000534820	1	29	-2.0	-106.42	302.20	2.41	-104.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1C	REAL300000534821	0	38	-2.0	-104.66	349.72	4.51	-100.15
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000534823	0	32	-2.0	-98.73	320.54	2.79	-95.94
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000534823	1	31	-3.0	-172.13	322.31	3.24	-168.89
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1Cl	REAL300000534826	1	29	-2.0	-106.19	300.28	2.74	-103.45
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C1	REAL300000534827	0	38	-2.0	-97.12	359.83	4.70	-92.42
O=C([O-])C1=CSC(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000534834	0	29	-2.0	-101.20	311.10	2.21	-98.99
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000534834	1	28	-3.0	-169.18	310.03	2.19	-166.99
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000534837	0	35	-2.0	-103.33	332.70	3.97	-99.36
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000534838	1	35	-2.0	-105.94	325.98	1.69	-104.25
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=CS1	REAL300000534845	1	32	-2.0	-116.27	327.95	2.92	-113.35
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1Cl	REAL300000534850	1	29	-2.0	-111.62	293.87	2.68	-108.94
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000534852	0	35	-2.0	-119.54	341.25	1.20	-118.34
CN1C=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C1C(=O)[O-]	REAL300000534863	0	33	-2.0	-105.25	324.58	2.52	-102.73
CN1C=NC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1Cl	REAL300000534864	0	29	-2.0	-113.48	305.84	2.18	-111.30
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=N1	REAL300000534871	1	29	-2.0	-104.23	292.92	0.32	-103.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000534879	0	32	-2.0	-101.24	327.02	2.87	-98.37
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000534879	1	31	-3.0	-165.30	325.94	2.86	-162.44
CC1=CC(C)=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C1C(=O)[O-]	REAL300000534882	0	38	-2.0	-103.05	348.73	4.51	-98.54
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1Cl	REAL300000534885	1	29	-2.0	-108.93	310.04	3.18	-105.75
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000534889	1	32	-2.0	-111.51	315.28	3.34	-108.17
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000534892	1	34	-2.0	-120.83	322.00	4.87	-115.96
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=CS1	REAL300000534895	0	29	-2.0	-103.46	309.28	2.20	-101.26
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1Cl	REAL300000534897	0	31	-2.0	-112.10	315.89	4.10	-108.00
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1Cl	REAL300000534898	0	31	-2.0	-115.95	321.76	3.99	-111.96
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000534901	1	33	-2.0	-105.03	314.20	1.83	-103.20
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CNN=C2)=C1Cl	REAL300000534902	1	26	-2.0	-101.68	269.96	-1.00	-102.68
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000534903	0	38	-2.0	-102.96	344.83	4.24	-98.72
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000534904	0	32	-2.0	-100.67	336.26	2.38	-98.29
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1Cl	REAL300000534906	0	29	-2.0	-104.36	303.29	2.95	-101.41
CC1=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C(C(=O)[O-])O1	REAL300000534907	0	32	-2.0	-98.35	318.75	1.85	-96.50
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1Cl	REAL300000534908	1	32	-2.0	-126.59	316.57	1.81	-124.78
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1Cl	REAL300000534911	0	31	-2.0	-122.09	314.40	4.24	-117.85
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1Cl	REAL300000534912	1	36	-2.0	-105.83	348.94	3.72	-102.11
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000534914	1	32	-2.0	-105.92	336.42	2.27	-103.65
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1Cl	REAL300000534916	1	28	-2.0	-100.25	313.53	1.75	-98.50
CN1C=NC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000534917	0	29	-2.0	-114.65	292.39	1.70	-112.95
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1Cl	REAL300000534922	1	29	-2.0	-109.96	300.15	2.74	-107.22
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(F)=C1	REAL300000534923	0	33	-2.0	-109.62	326.35	2.19	-107.43
CC1=NC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=CN1C	REAL300000534925	0	32	-2.0	-117.65	312.07	1.49	-116.16
CCN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=N1	REAL300000534928	1	32	-2.0	-104.40	314.45	1.17	-103.23
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000534935	1	29	-2.0	-102.58	288.79	-0.35	-102.93
CN1C=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=N1	REAL300000534938	0	29	-2.0	-113.43	293.39	0.14	-113.29
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000534939	1	29	-2.0	-99.55	288.61	0.25	-99.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(F)=C1	REAL300000534945	1	32	-2.0	-111.33	315.29	3.35	-107.98
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CNC=N2)=C1Cl	REAL300000534947	0	26	-2.0	-112.45	269.68	0.01	-112.44
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)O1	REAL300000534948	0	32	-2.0	-101.47	327.92	1.40	-100.07
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1Cl	REAL300000534950	1	29	-2.0	-98.69	306.58	2.80	-95.89
CC1=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C(C(=O)[O-])S1	REAL300000534951	0	32	-2.0	-100.98	324.75	2.61	-98.37
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000534955	0	35	-2.0	-113.92	346.53	0.20	-113.72
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000534959	1	41	-2.0	-106.78	367.49	3.22	-103.56
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)SC=C1	REAL300000534960	1	29	-2.0	-106.03	296.10	2.42	-103.61
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1C	REAL300000534961	1	38	-2.0	-106.02	346.88	2.51	-103.51
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000534970	1	33	-2.0	-108.48	326.02	3.08	-105.40
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(F)=C1	REAL300000534974	1	30	-2.0	-103.29	314.66	3.07	-100.22
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=N1	REAL300000534976	1	35	-2.0	-104.48	333.13	1.69	-102.79
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=N1	REAL300000534978	1	35	-2.0	-109.41	347.75	1.38	-108.03
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=CN1	REAL300000534979	0	35	-2.0	-115.17	332.34	1.04	-114.13
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C([N+](=O)[O-])=C1	REAL300000534980	1	32	-2.0	-108.88	330.20	4.42	-104.46
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C1F	REAL300000534988	0	32	-2.0	-101.25	320.63	3.14	-98.11
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000534991	0	29	-2.0	-100.73	310.17	2.31	-98.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000534991	1	28	-3.0	-163.90	309.09	2.30	-161.60
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000534992	0	38	-2.0	-113.92	352.95	3.59	-110.33
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000534993	0	32	-2.0	-95.57	322.69	3.17	-92.40
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C(F)=C1	REAL300000534995	0	32	-2.0	-106.11	320.52	2.80	-103.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(F)=C1	REAL300000534995	1	31	-3.0	-162.37	322.29	3.24	-159.13
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000534999	1	31	-2.0	-103.57	312.65	1.21	-102.36
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535004	0	35	-2.0	-102.33	346.27	2.06	-100.27
CC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C(F)C=C1F	REAL300000535007	1	32	-2.0	-103.68	320.58	3.38	-100.30
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535010	0	32	-3.0	-180.34	320.98	1.72	-178.62
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535010	1	33	-2.0	-101.96	325.07	0.35	-101.61
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C1	REAL300000535012	0	35	-2.0	-96.41	338.44	3.89	-92.52
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)O1	REAL300000535013	0	35	-2.0	-101.68	349.78	2.33	-99.35
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535015	1	32	-2.0	-116.80	331.11	3.32	-113.48
COC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)SC=C1	REAL300000535017	0	30	-2.0	-114.05	310.54	0.89	-113.16
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)OC2=CC=C(F)C=C12	REAL300000535018	0	35	-2.0	-106.90	345.16	3.72	-103.18
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1Cl	REAL300000535019	0	32	-2.0	-109.27	318.14	3.01	-106.26
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535021	1	31	-2.0	-112.02	321.62	1.36	-110.66
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535022	1	29	-2.0	-97.28	303.35	1.56	-95.72
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)N=C1Cl	REAL300000535023	0	29	-2.0	-112.55	308.72	1.43	-111.12
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1Cl	REAL300000535025	1	30	-2.0	-112.44	304.22	1.35	-111.09
CC1=NC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000535027	0	28	-2.0	-103.25	296.90	0.43	-102.82
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535028	0	35	-2.0	-107.01	327.20	3.84	-103.17
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535030	0	35	-2.0	-101.53	332.60	3.96	-97.57
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(F)=C1	REAL300000535031	0	30	-2.0	-104.01	317.67	3.29	-100.72
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C1F	REAL300000535032	1	32	-2.0	-106.11	320.59	3.39	-102.72
CC1=CC(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=CC(C(=O)[O-])=C1C	REAL300000535033	0	38	-2.0	-106.37	348.80	4.15	-102.22
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1Cl	REAL300000535036	1	28	-2.0	-104.60	307.33	2.06	-102.54
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535037	0	35	-2.0	-113.90	333.82	2.99	-110.91
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1Cl	REAL300000535039	1	28	-2.0	-96.92	313.81	1.79	-95.13
CC1=CC=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C(C)=C1C(=O)[O-]	REAL300000535040	0	38	-2.0	-111.63	351.12	4.58	-107.05
COCCN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=N1	REAL300000535042	1	36	-2.0	-102.99	348.13	0.22	-102.77
CCN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C([N+](=O)[O-])=N1	REAL300000535043	0	34	-2.0	-113.37	338.69	3.44	-109.93
CCC1=CC=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C1C(=O)[O-]	REAL300000535044	0	38	-2.0	-100.83	350.49	4.29	-96.54
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000535047	1	38	-2.0	-106.79	361.36	4.26	-102.53
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535048	0	35	-2.0	-113.74	335.70	3.37	-110.37
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1Cl	REAL300000535049	1	37	-2.0	-102.85	346.41	0.36	-102.49
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1F	REAL300000535050	1	32	-2.0	-112.70	314.19	3.33	-109.37
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1Cl	REAL300000535052	0	36	-2.0	-118.48	334.32	2.64	-115.84
COC1=CC=C([O-])C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535054	1	34	-2.0	-103.84	322.08	0.44	-103.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)O1	REAL300000535062	0	29	-2.0	-106.34	292.97	1.43	-104.91
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535063	1	32	-2.0	-107.30	320.59	2.97	-104.33
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C(C)O1	REAL300000535069	1	35	-2.0	-100.85	346.24	2.17	-98.68
CCN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)N=C1C	REAL300000535071	0	35	-2.0	-117.55	334.14	2.40	-115.15
CCN1C=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C1C(=O)[O-]	REAL300000535073	0	36	-2.0	-103.72	345.94	3.39	-100.33
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535074	0	32	-2.0	-105.38	328.26	1.35	-104.03
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535075	1	41	-2.0	-106.87	367.85	3.17	-103.70
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1Cl	REAL300000535076	1	29	-2.0	-111.30	304.43	3.41	-107.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(Cl)=N1	REAL300000535077	1	31	-2.0	-106.77	318.27	1.94	-104.83
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000535079	0	31	-2.0	-102.85	318.39	1.18	-101.67
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000535081	1	31	-2.0	-101.43	326.50	2.94	-98.49
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1Cl	REAL300000535086	1	32	-2.0	-115.60	316.31	2.93	-112.67
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1Cl	REAL300000535088	0	26	-2.0	-101.12	292.75	1.34	-99.78
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1Cl	REAL300000535090	0	29	-2.0	-103.74	309.45	3.02	-100.72
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535094	1	29	-2.0	-100.58	317.36	2.83	-97.75
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1Cl	REAL300000535096	1	32	-2.0	-102.84	327.44	1.46	-101.38
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1Cl	REAL300000535100	0	28	-2.0	-113.58	301.07	3.01	-110.57
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CO2)=C1Cl	REAL300000535101	0	26	-2.0	-105.39	271.05	0.60	-104.79
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535102	1	28	-2.0	-94.76	281.79	-0.92	-95.68
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1Cl	REAL300000535106	1	33	-2.0	-110.52	316.50	2.04	-108.48
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1Cl	REAL300000535108	1	32	-2.0	-103.86	332.32	1.67	-102.19
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535110	1	37	-2.0	-120.01	342.35	3.12	-116.89
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535112	1	32	-2.0	-111.09	307.97	3.58	-107.51
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535114	1	42	-2.0	-105.94	378.56	4.07	-101.87
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1Cl	REAL300000535117	1	30	-2.0	-113.82	313.15	0.92	-112.90
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000535125	0	32	-2.0	-110.54	333.32	0.11	-110.43
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(N)=NO1	REAL300000535130	0	30	-2.0	-98.00	295.91	-0.02	-98.02
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=NO1	REAL300000535134	1	40	-2.0	-107.21	369.62	3.40	-103.81
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000535137	1	27	-2.0	-98.25	300.89	2.17	-96.08
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1Cl	REAL300000535144	1	35	-2.0	-106.22	334.10	3.13	-103.09
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)O1	REAL300000535149	0	27	-2.0	-99.30	292.30	1.15	-98.15
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=COC=C2)=C1Cl	REAL300000535151	1	26	-2.0	-103.91	270.90	0.50	-103.41
CC1=CC(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=CC=C1C(=O)[O-]	REAL300000535152	0	35	-2.0	-99.60	332.64	3.67	-95.93
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1Cl	REAL300000535154	1	29	-2.0	-106.20	310.60	3.20	-103.00
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535156	0	40	-2.0	-105.31	366.96	3.76	-101.55
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1Cl	REAL300000535161	1	29	-2.0	-107.94	310.71	3.46	-104.48
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1Cl	REAL300000535164	0	26	-2.0	-105.02	296.35	2.06	-102.96
CC1=CSC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535165	1	29	-2.0	-105.40	301.94	2.27	-103.13
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1Cl	REAL300000535166	1	26	-2.0	-103.34	286.67	-0.58	-103.92
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1Cl	REAL300000535167	1	28	-2.0	-102.40	295.27	0.73	-101.67
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1Cl	REAL300000535171	0	32	-2.0	-103.55	324.55	3.08	-100.47
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535172	1	34	-2.0	-116.14	329.53	2.20	-113.94
CC1=NSC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535173	0	28	-2.0	-100.04	296.87	0.91	-99.13
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1Cl	REAL300000535177	0	26	-2.0	-106.96	286.65	1.65	-105.31
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(C(F)(F)F)=N1	REAL300000535178	1	32	-2.0	-107.38	327.01	1.46	-105.92
COC(CS(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl)C1=CC=CC=C1	REAL300000535181	1	39	-2.0	-106.50	364.16	3.30	-103.20
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=NC=CN2)=C1Cl	REAL300000535184	0	26	-2.0	-109.35	270.00	-0.81	-110.16
O=C([O-])C1=CC(O)=CC(NS(=O)(=O)C2=NC=C[N-]2)=C1Cl	REAL300000535184	1	26	-2.0	-93.49	267.52	-1.33	-94.82
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1Cl	REAL300000535185	1	34	-2.0	-111.65	325.37	-0.48	-112.13
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000535186	1	32	-2.0	-107.66	318.49	3.24	-104.42
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1Cl	REAL300000535187	1	30	-2.0	-96.84	311.75	1.47	-95.37
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=NN1C	REAL300000535193	1	32	-2.0	-104.59	309.04	0.84	-103.75
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535195	1	32	-2.0	-105.39	311.76	0.98	-104.41
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1Cl	REAL300000535200	1	29	-2.0	-104.50	304.04	0.14	-104.36
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1Cl	REAL300000535201	0	35	-2.0	-101.67	334.67	2.53	-99.14
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000535205	1	33	-2.0	-114.82	339.95	-0.75	-115.57
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1F	REAL300000535206	0	32	-2.0	-125.47	318.74	2.75	-122.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1F	REAL300000535206	1	31	-3.0	-183.82	320.47	3.20	-180.62
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1Cl	REAL300000535207	0	26	-2.0	-110.43	287.73	0.60	-109.83
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1Cl	REAL300000535208	1	31	-2.0	-117.38	319.57	2.04	-115.34
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1Cl	REAL300000535211	1	35	-2.0	-115.09	338.88	4.92	-110.17
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(F)=C1	REAL300000535219	0	32	-2.0	-113.29	318.28	3.57	-109.72
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1Cl	REAL300000535220	1	28	-2.0	-99.79	313.41	1.81	-97.98
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535223	1	33	-2.0	-109.71	323.04	2.46	-107.25
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535226	1	28	-2.0	-98.01	285.33	0.57	-97.44
CC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C([N+](=O)[O-])S1	REAL300000535229	0	31	-2.0	-113.61	322.96	3.81	-109.80
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1Cl	REAL300000535231	1	28	-2.0	-109.69	288.88	0.79	-108.90
N#CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=CS1	REAL300000535236	1	27	-2.0	-110.54	298.75	2.01	-108.53
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(=O)NC1=O	REAL300000535248	0	32	-2.0	-111.43	316.78	-0.69	-112.12
CC(C)OC1(CS(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)CCOC1	REAL300000535249	1	43	-2.0	-106.96	364.65	1.53	-105.43
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)N(C)N=C1	REAL300000535250	0	35	-2.0	-107.15	337.61	1.68	-105.47
CC1=NC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)N1C	REAL300000535252	1	32	-2.0	-104.57	307.53	1.66	-102.91
CCC1=NC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=CN1CC1CC1	REAL300000535256	0	42	-2.0	-118.04	387.24	4.56	-113.48
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)O1	REAL300000535257	0	35	-2.0	-102.13	345.81	1.98	-100.15
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1Cl	REAL300000535258	0	32	-2.0	-103.79	328.12	2.11	-101.68
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535259	1	32	-2.0	-94.19	328.97	1.27	-92.92
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1Cl	REAL300000535260	1	28	-2.0	-103.00	305.73	1.22	-101.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(F)=C1F	REAL300000535262	1	32	-2.0	-110.07	320.45	3.39	-106.68
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)OC=C1	REAL300000535263	0	32	-2.0	-113.29	320.50	2.07	-111.22
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=N1	REAL300000535265	0	31	-2.0	-118.34	315.47	1.59	-116.75
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(C)=N1	REAL300000535266	1	41	-2.0	-105.16	376.29	3.38	-101.78
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535267	0	30	-3.0	-174.22	313.05	1.30	-172.92
O=C([O-])C1=CC=NC(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535267	1	31	-2.0	-101.94	312.36	1.22	-100.72
CN1N=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1C(F)(F)F	REAL300000535270	1	32	-2.0	-102.04	321.52	1.24	-100.80
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(C(C)(C)C)=N1	REAL300000535274	1	41	-2.0	-104.35	356.74	3.23	-101.12
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1Cl	REAL300000535276	1	39	-2.0	-104.73	355.78	2.96	-101.77
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535277	1	32	-2.0	-98.75	322.66	1.51	-97.24
O=C([O-])C1=CC(O)=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1Cl	REAL300000535279	0	30	-2.0	-97.98	299.00	1.21	-96.77
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535281	0	32	-2.0	-119.32	319.38	0.27	-119.05
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535282	1	35	-2.0	-104.99	331.23	1.77	-103.22
COC1=NSC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535291	0	29	-2.0	-97.31	307.62	-1.59	-98.90
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=NS2)=C1Cl	REAL300000535293	0	25	-2.0	-99.77	275.11	0.32	-99.45
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C(C(N)=O)O1	REAL300000535296	1	33	-2.0	-104.29	327.88	-1.78	-106.07
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)=C(Cl)O1	REAL300000535300	0	29	-2.0	-100.32	313.35	1.63	-98.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C(Cl)O1	REAL300000535300	1	28	-3.0	-161.37	316.94	2.15	-159.22
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1F	REAL300000535303	1	30	-2.0	-110.07	314.20	3.03	-107.04
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)N=N1	REAL300000535304	0	28	-2.0	-108.86	287.17	-1.07	-109.93
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1Cl	REAL300000535305	1	36	-2.0	-104.77	338.27	2.28	-102.49
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1Cl	REAL300000535306	1	36	-2.0	-101.89	335.66	2.50	-99.39
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1Cl	REAL300000535307	1	39	-2.0	-102.06	357.78	3.22	-98.84
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1Cl	REAL300000535309	0	26	-2.0	-104.45	289.04	1.34	-103.11
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1Cl	REAL300000535311	1	36	-2.0	-108.71	332.76	2.63	-106.08
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C1F	REAL300000535312	1	33	-2.0	-104.34	329.57	2.05	-102.29
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000535315	0	37	-2.0	-103.91	357.05	2.28	-101.63
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535317	0	33	-2.0	-109.72	324.83	3.27	-106.45
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1Cl	REAL300000535318	1	26	-2.0	-104.31	293.80	2.05	-102.26
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535320	0	34	-2.0	-120.63	329.06	2.21	-118.42
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535321	0	31	-2.0	-95.33	303.60	-0.05	-95.38
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1Cl	REAL300000535324	1	32	-2.0	-108.81	327.21	4.03	-104.78
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535325	1	36	-2.0	-101.07	340.31	2.34	-98.73
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C32)=C1Cl	REAL300000535328	1	32	-2.0	-109.27	318.14	2.89	-106.38
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(C2CCCC2)=N1	REAL300000535329	1	42	-2.0	-108.91	377.13	3.52	-105.39
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(C2CC2)=N1	REAL300000535330	1	36	-2.0	-107.62	343.68	2.53	-105.09
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1Cl	REAL300000535332	0	32	-2.0	-114.17	317.81	1.81	-112.36
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(O)=CC(C(=O)[O-])=C3Cl)C=CC=C21	REAL300000535333	1	34	-2.0	-124.73	332.92	1.01	-123.72
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535336	0	29	-2.0	-104.60	305.67	-1.52	-106.12
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)N=CN1	REAL300000535337	0	29	-2.0	-113.93	287.48	0.72	-113.21
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(C2CCC2)=N1	REAL300000535340	1	39	-2.0	-108.21	359.89	3.02	-105.19
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1Cl	REAL300000535341	1	26	-2.0	-103.86	294.18	2.15	-101.71
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1Cl	REAL300000535342	1	39	-2.0	-105.38	362.37	3.26	-102.12
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1Cl	REAL300000535343	1	33	-2.0	-111.06	326.49	3.72	-107.34
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535345	1	35	-2.0	-99.22	343.66	1.02	-98.20
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535350	1	38	-2.0	-99.47	335.41	2.51	-96.96
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=N1	REAL300000535351	1	38	-2.0	-105.53	352.86	2.32	-103.21
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1Cl	REAL300000535352	1	36	-2.0	-105.41	336.95	1.71	-103.70
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535355	1	32	-2.0	-100.14	309.54	0.87	-99.27
COC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=CS1	REAL300000535364	1	30	-2.0	-110.12	310.63	1.06	-109.06
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1Cl	REAL300000535365	1	36	-2.0	-110.13	343.09	4.78	-105.35
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1Cl	REAL300000535366	1	39	-2.0	-102.30	353.14	3.22	-99.08
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535367	1	38	-2.0	-101.47	348.33	2.50	-98.97
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC(O)=CC(C(=O)[O-])=C3Cl)C2=N1	REAL300000535370	1	34	-2.0	-116.59	331.98	0.97	-115.62
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)O1	REAL300000535371	0	32	-2.0	-106.26	314.45	2.21	-104.05
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1Cl	REAL300000535372	0	29	-2.0	-99.51	312.23	1.83	-97.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)S1	REAL300000535376	1	30	-2.0	-103.74	312.17	1.06	-102.68
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1Cl	REAL300000535377	1	32	-2.0	-102.10	321.04	1.31	-100.79
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1Cl	REAL300000535379	1	42	-2.0	-104.35	374.76	3.55	-100.80
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN32)=C1Cl	REAL300000535381	1	32	-2.0	-111.82	315.38	2.97	-108.85
CCN1N=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=N1	REAL300000535383	0	31	-2.0	-104.59	309.08	-0.52	-105.11
CCN1N=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1Cl	REAL300000535384	1	32	-2.0	-102.12	330.03	1.53	-100.59
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1Cl	REAL300000535385	0	26	-2.0	-100.84	288.12	1.23	-99.61
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1Cl	REAL300000535388	1	29	-2.0	-102.35	315.89	3.23	-99.12
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1Cl	REAL300000535390	1	33	-2.0	-106.86	332.20	3.93	-102.93
CC1=COC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535393	0	29	-2.0	-105.61	292.96	1.28	-104.33
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=NN1	REAL300000535394	0	35	-2.0	-104.79	348.73	0.40	-104.39
COC1=CSC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1OC	REAL300000535395	0	34	-2.0	-107.26	341.32	0.62	-106.64
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535397	1	35	-2.0	-104.96	331.78	2.62	-102.34
CN1N=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1Cl	REAL300000535399	1	29	-2.0	-101.84	308.22	0.66	-101.18
N#CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)OC=C1	REAL300000535401	0	27	-2.0	-105.47	292.53	1.06	-104.41
CCN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(C2CC2)=N1	REAL300000535404	1	39	-2.0	-107.83	365.18	3.40	-104.43
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C2=NSN=C2C=C1	REAL300000535405	1	33	-2.0	-112.56	326.61	1.96	-110.60
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C(=O)NC(=O)N1	REAL300000535406	0	32	-2.0	-109.85	311.44	-1.66	-111.51
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535408	1	42	-2.0	-103.32	375.06	3.82	-99.50
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1Cl	REAL300000535409	1	26	-2.0	-103.32	287.12	1.11	-102.21
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1Cl	REAL300000535410	1	26	-2.0	-100.76	297.18	2.13	-98.63
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535411	1	37	-2.0	-102.37	340.65	0.36	-102.01
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535416	1	35	-2.0	-110.88	335.78	0.44	-110.44
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535417	1	32	-2.0	-104.82	331.09	0.28	-104.54
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=N1	REAL300000535419	1	38	-2.0	-104.52	355.78	2.70	-101.82
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535420	1	38	-2.0	-105.68	351.98	2.35	-103.33
N#CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=CO1	REAL300000535421	1	27	-2.0	-107.27	291.33	1.01	-106.26
N#CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)SC=C1	REAL300000535422	0	27	-2.0	-106.51	300.43	1.95	-104.56
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535423	1	35	-2.0	-101.05	330.10	1.87	-99.18
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535424	1	32	-2.0	-112.41	330.25	4.42	-107.99
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1Cl	REAL300000535425	1	36	-2.0	-100.78	340.57	2.73	-98.05
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1Cl	REAL300000535426	1	36	-2.0	-106.51	342.09	3.76	-102.75
COC1=NOC(CS(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535427	1	32	-2.0	-101.61	319.43	-1.04	-102.65
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)C=NN1C(C)C	REAL300000535428	1	38	-2.0	-105.13	351.46	2.41	-102.72
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1Cl	REAL300000535433	1	32	-2.0	-115.34	328.04	3.61	-111.73
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CSN=C2)=C1Cl	REAL300000535434	1	25	-2.0	-97.99	274.03	0.21	-97.78
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1Cl	REAL300000535435	0	33	-2.0	-118.37	336.43	1.87	-116.50
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Cl	REAL300000535436	1	34	-2.0	-113.82	329.16	2.19	-111.63
CCC1=C(S(=O)(=O)NC2=CC(O)=CC(C(=O)[O-])=C2Cl)C=C(C(=O)[O-])O1	REAL300000535438	0	35	-2.0	-97.53	339.19	2.63	-94.90
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN=CS2)=C1Cl	REAL300000535441	0	25	-2.0	-102.05	274.96	-0.28	-102.33
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1Cl	REAL300000535442	1	36	-2.0	-106.37	334.10	1.92	-104.45
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Cl)=C1	REAL300000535443	1	32	-2.0	-111.51	315.28	3.34	-108.17
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000535444	0	32	-2.0	-105.65	319.54	-1.86	-107.51
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000535445	0	32	-2.0	-94.97	315.01	-1.88	-96.85
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000535446	0	32	-2.0	-106.09	315.01	-1.89	-107.98
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(S(N)(=O)=O)=C1	REAL300000535447	0	36	-2.0	-113.00	343.15	-2.09	-115.09
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000535448	0	36	-2.0	-94.71	346.46	-0.57	-95.28
CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000535449	0	35	-2.0	-107.87	335.02	-1.23	-109.10
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000535450	0	32	-2.0	-102.25	328.08	-1.32	-103.57
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000535451	0	32	-2.0	-103.85	327.52	-1.50	-105.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)=C1C	REAL300000535452	0	38	-2.0	-110.78	347.63	-0.54	-111.32
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000535453	0	32	-2.0	-103.65	320.49	-1.83	-105.48
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000535454	0	38	-2.0	-94.03	358.57	-0.30	-94.33
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000535455	0	29	-2.0	-101.54	308.14	-2.85	-104.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(S(N)(=O)=O)=C1	REAL300000535456	0	35	-2.0	-107.40	330.44	-1.10	-108.50
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000535457	0	36	-2.0	-93.47	346.08	-1.60	-95.07
CN1C=C(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000535458	0	33	-2.0	-105.74	321.60	-2.54	-108.28
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(S(N)(=O)=O)=C1	REAL300000535459	0	36	-2.0	-107.83	339.21	-3.06	-110.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)=C1	REAL300000535460	0	32	-2.0	-97.00	324.08	-2.21	-99.21
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000535461	0	38	-2.0	-109.82	346.41	-0.56	-110.38
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000535462	0	29	-2.0	-103.51	306.66	-2.86	-106.37
COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000535463	0	36	-2.0	-111.54	342.30	-1.82	-113.36
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(S(N)(=O)=O)=C1	REAL300000535464	0	41	-2.0	-110.83	368.85	0.13	-110.70
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(S(N)(=O)=O)=C1	REAL300000535465	0	38	-2.0	-105.54	345.09	-0.14	-105.68
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000535466	0	39	-2.0	-112.51	359.23	0.01	-112.50
CC1=C(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000535467	0	32	-2.0	-100.42	317.96	-2.73	-103.15
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)=C1	REAL300000535468	0	36	-2.0	-108.47	343.94	-2.78	-111.25
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(S(N)(=O)=O)=C1	REAL300000535469	0	35	-2.0	-99.37	335.66	-1.05	-100.42
CC1=C(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300000535470	0	32	-2.0	-105.51	323.61	-2.00	-107.51
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000535471	0	32	-2.0	-92.50	328.06	-1.33	-93.83
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000535472	0	32	-2.0	-94.73	319.53	-1.84	-96.57
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000535473	0	29	-2.0	-96.36	307.23	-2.76	-99.12
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000535474	0	32	-2.0	-98.53	321.41	-1.81	-100.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)=C1F	REAL300000535475	0	35	-2.0	-105.56	340.73	-1.18	-106.74
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000535476	0	32	-2.0	-93.89	320.48	-1.82	-95.71
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000535477	0	32	-2.0	-92.34	327.46	-1.48	-93.82
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000535478	0	32	-2.0	-95.64	325.84	-1.79	-97.43
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000535479	0	33	-2.0	-106.54	324.72	-4.17	-110.71
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000535480	0	35	-2.0	-98.31	337.17	-1.10	-99.41
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=CC(S(N)(=O)=O)=C1	REAL300000535481	0	35	-2.0	-102.26	324.56	-1.23	-103.49
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000535482	0	35	-2.0	-106.71	339.86	-1.23	-107.94
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=CC(S(N)(=O)=O)=C1	REAL300000535483	0	35	-2.0	-95.36	330.37	-1.11	-96.47
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000535484	0	38	-2.0	-108.33	347.84	-0.80	-109.13
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000535485	0	32	-2.0	-95.23	326.71	-1.76	-96.99
CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)C(C)=C1C(=O)[O-]	REAL300000535486	0	38	-2.0	-106.36	349.49	-0.50	-106.86
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000535487	0	35	-2.0	-106.68	340.33	-1.19	-107.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)=C1	REAL300000535488	0	35	-2.0	-109.89	340.04	-1.20	-111.09
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000535489	0	38	-2.0	-109.51	349.25	-0.71	-110.22
CCN1C=C(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000535490	0	36	-2.0	-105.48	342.97	-1.65	-107.13
CC1=CC(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000535491	0	35	-2.0	-95.32	331.02	-1.34	-96.66
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC(S(N)(=O)=O)=C1	REAL300000535492	0	35	-2.0	-107.02	334.55	-1.06	-108.08
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000535493	0	32	-2.0	-109.18	318.61	-1.86	-111.04
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300000535494	0	35	-2.0	-98.70	339.95	-1.21	-99.91
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000535495	0	31	-2.0	-104.27	312.00	-3.82	-108.09
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=CC(S(N)(=O)=O)=C1	REAL300000535496	0	36	-2.0	-99.05	343.21	-2.09	-101.14
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000535497	0	29	-2.0	-95.07	315.10	-2.91	-97.98
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000535498	0	39	-2.0	-101.86	361.13	0.00	-101.86
NS(=O)(=O)C1=CN=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000535499	0	39	-2.0	-104.72	360.47	-0.00	-104.72
CCC1=C(S(=O)(=O)[N-]C2=CN=CC(S(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300000535500	0	35	-2.0	-102.01	337.15	-1.89	-103.90
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1	REAL300000535501	0	42	-2.0	-93.96	376.76	1.12	-92.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CC=C1F	REAL300000535502	0	35	-2.0	-109.83	324.84	2.56	-107.27
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCOC2)N=N1	REAL300000535503	0	43	-2.0	-111.96	379.90	3.65	-108.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1	REAL300000535504	0	35	-2.0	-99.85	320.28	2.54	-97.31
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1	REAL300000535505	0	35	-2.0	-112.44	320.26	2.53	-109.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCOC2)N=N1	REAL300000535506	0	39	-2.0	-118.72	348.42	2.35	-116.37
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1	REAL300000535507	0	39	-2.0	-99.94	351.75	3.82	-96.12
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1C(=O)[O-]	REAL300000535508	0	38	-2.0	-113.56	336.31	3.06	-110.50
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1	REAL300000535509	0	35	-2.0	-108.74	333.37	3.11	-105.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CC=C1Cl	REAL300000535510	0	35	-2.0	-108.26	332.81	2.92	-105.34
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1C	REAL300000535511	0	41	-2.0	-116.45	352.96	3.90	-112.55
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1	REAL300000535512	0	35	-2.0	-110.18	325.76	2.59	-107.59
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1	REAL300000535513	0	41	-2.0	-99.16	363.87	4.12	-95.04
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1	REAL300000535514	0	32	-2.0	-106.52	313.49	1.55	-104.97
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCOC2)N=N1	REAL300000535515	0	38	-2.0	-114.30	335.73	3.31	-110.99
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1	REAL300000535516	0	39	-2.0	-98.59	351.37	2.81	-95.78
CN1C=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1C(=O)[O-]	REAL300000535517	0	36	-2.0	-110.77	326.94	1.87	-108.90
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCOC2)N=N1	REAL300000535518	0	39	-2.0	-114.70	344.48	1.35	-113.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1	REAL300000535519	0	35	-2.0	-102.58	329.41	2.22	-100.36
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1C(=O)[O-]	REAL300000535520	0	41	-2.0	-115.60	351.75	3.85	-111.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CS1	REAL300000535521	0	32	-2.0	-108.04	311.91	1.56	-106.48
COC1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CC(C(=O)[O-])=C1OC	REAL300000535522	0	43	-2.0	-112.55	378.61	2.34	-110.21
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1C(=O)[O-]	REAL300000535523	0	39	-2.0	-118.24	347.58	2.59	-115.65
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1	REAL300000535524	0	45	-2.0	-118.21	375.52	5.17	-113.04
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCOC2)N=N1	REAL300000535525	0	44	-2.0	-116.58	374.17	4.55	-112.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCOC2)N=N1	REAL300000535526	0	41	-2.0	-112.96	350.42	4.26	-108.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCOC2)N=N1	REAL300000535527	0	42	-2.0	-118.63	370.71	3.11	-115.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CC(C(=O)[O-])=C1	REAL300000535528	0	37	-3.0	-185.90	348.68	3.09	-182.81
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1	REAL300000535529	0	42	-2.0	-118.43	364.54	4.42	-114.01
CC1=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C(C(=O)[O-])O1	REAL300000535530	0	35	-2.0	-106.76	323.29	1.67	-105.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CC2=C1OCCO2	REAL300000535531	0	41	-2.0	-117.12	362.44	2.30	-114.82
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1	REAL300000535532	0	39	-2.0	-113.24	349.26	1.63	-111.61
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN(C4CCOC4)N=N3)C=C2C1	REAL300000535533	0	43	-2.0	-99.90	373.90	3.15	-96.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C(Cl)C=C1F	REAL300000535534	0	35	-2.0	-105.42	337.87	3.12	-102.30
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CC=C1OCC(=O)[O-]	REAL300000535535	0	42	-2.0	-98.99	371.45	3.52	-95.47
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCOC2)N=N1	REAL300000535536	0	38	-2.0	-104.58	340.98	3.34	-101.24
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1F	REAL300000535537	0	39	-2.0	-97.94	357.55	2.87	-95.07
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1C(=O)[O-]	REAL300000535538	0	42	-2.0	-118.83	369.39	3.50	-115.33
CC1=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C(C(=O)[O-])S1	REAL300000535539	0	35	-2.0	-110.56	328.90	2.43	-108.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C(Cl)=C1	REAL300000535540	0	35	-2.0	-97.38	333.33	3.10	-94.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1F	REAL300000535541	0	35	-2.0	-99.27	324.83	2.57	-96.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)S1	REAL300000535542	0	32	-2.0	-101.41	312.56	1.67	-99.74
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1	REAL300000535543	0	35	-2.0	-103.19	326.68	2.59	-100.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1F	REAL300000535544	0	38	-2.0	-111.57	346.03	3.23	-108.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C(F)=C1	REAL300000535545	0	35	-2.0	-99.06	325.74	2.60	-96.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1Cl	REAL300000535546	0	35	-2.0	-97.41	332.80	2.93	-94.48
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCOC2)N=N1	REAL300000535547	0	38	-2.0	-106.37	349.72	3.73	-102.64
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1	REAL300000535548	0	43	-2.0	-96.79	384.04	3.94	-92.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CC(F)=C1F	REAL300000535549	0	35	-2.0	-101.33	331.10	2.62	-98.71
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1	REAL300000535550	0	37	-2.0	-97.26	348.47	3.20	-94.06
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1	REAL300000535551	0	36	-2.0	-113.48	329.99	0.26	-113.22
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1	REAL300000535552	0	38	-2.0	-103.66	342.47	3.31	-100.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CC(Cl)=C1F	REAL300000535553	0	35	-2.0	-102.77	340.98	3.06	-99.71
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2CCOC2)N=N1	REAL300000535554	0	38	-2.0	-107.95	330.34	3.16	-104.79
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CC(C(=O)[O-])=C1F	REAL300000535555	0	38	-2.0	-111.21	345.13	3.18	-108.03
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CCOC2)N=N1	REAL300000535556	0	38	-2.0	-100.27	335.69	3.30	-96.97
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CC(C(=O)[O-])=C1C	REAL300000535557	0	41	-2.0	-116.81	357.09	3.70	-113.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CC=C1[N+](=O)[O-]	REAL300000535558	0	37	-2.0	-110.58	346.82	3.61	-106.97
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1	REAL300000535559	0	35	-2.0	-101.56	332.01	2.65	-98.91
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C(C)=C1C(=O)[O-]	REAL300000535560	0	41	-2.0	-112.11	354.75	3.93	-108.18
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1C(=O)[O-]	REAL300000535561	0	38	-2.0	-112.41	345.61	3.23	-109.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1Cl	REAL300000535562	0	38	-2.0	-110.52	352.04	3.67	-106.85
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1	REAL300000535563	0	38	-2.0	-116.28	345.33	3.22	-113.06
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1C(=O)[O-]	REAL300000535564	0	41	-2.0	-114.26	354.49	3.71	-110.55
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1CC(=O)[O-]	REAL300000535565	0	42	-2.0	-114.82	370.72	2.66	-112.16
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C2CCOC2)N=N1	REAL300000535566	0	38	-2.0	-102.09	350.81	3.79	-98.30
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CC(C(=O)[O-])=C1Cl	REAL300000535567	0	38	-2.0	-109.99	351.52	3.49	-106.50
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1C(=O)[O-]	REAL300000535568	0	39	-2.0	-112.06	348.25	2.74	-109.32
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C(C)=C1CC(=O)[O-]	REAL300000535569	0	47	-2.0	-112.38	385.17	5.38	-107.00
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1C(=O)[O-]	REAL300000535570	0	38	-2.0	-105.67	350.14	3.49	-102.18
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CC=C1C(=O)[O-]	REAL300000535571	0	38	-2.0	-99.96	336.27	3.07	-96.89
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C([N+](=O)[O-])=C1	REAL300000535572	0	40	-2.0	-104.72	363.57	4.74	-99.98
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCOC2)N=N1	REAL300000535573	0	38	-2.0	-111.93	339.83	3.39	-108.54
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1[N+](=O)[O-]	REAL300000535574	0	37	-2.0	-118.50	344.02	4.40	-114.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1F	REAL300000535575	0	35	-2.0	-115.48	323.91	2.55	-112.93
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C1C(=O)[O-]	REAL300000535576	0	38	-2.0	-103.95	341.44	3.10	-100.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=CC2=CC=CC=C21	REAL300000535577	0	41	-2.0	-120.55	361.34	4.66	-115.89
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C1	REAL300000535578	0	34	-2.0	-109.91	316.48	0.66	-109.25
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CCOC2)N=N1	REAL300000535579	0	39	-2.0	-104.22	348.46	2.35	-101.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)=C(Cl)O1	REAL300000535580	0	32	-2.0	-100.25	320.38	1.50	-98.75
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(C4CCOC4)N=N3)C=C2)CC1	REAL300000535581	0	42	-2.0	-111.36	366.77	4.62	-106.74
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(C4CCOC4)N=N3)C=C2C1	REAL300000535582	0	42	-2.0	-109.26	365.72	4.42	-104.84
CCC1=C(S(=O)(=O)[N-]C2=CN(C3CCOC3)N=N2)C=C(C(=O)[O-])O1	REAL300000535583	0	38	-2.0	-106.85	342.40	2.53	-104.32
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000535584	0	31	-2.0	-105.15	331.68	5.40	-99.75
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C(Cl)S1	REAL300000535585	0	31	-2.0	-95.45	327.14	5.38	-90.07
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000535586	0	31	-2.0	-107.47	327.14	5.38	-102.09
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000535587	0	34	-2.0	-108.62	343.16	5.90	-102.72
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C(Cl)S1	REAL300000535588	0	31	-2.0	-103.65	332.61	5.43	-98.22
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C(Cl)S1	REAL300000535589	0	28	-2.0	-102.07	320.33	4.39	-97.68
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C(Cl)S1	REAL300000535590	0	34	-2.0	-106.65	342.57	6.17	-100.48
COC(=O)C1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000535591	0	32	-2.0	-106.04	333.79	4.73	-101.31
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C(Cl)S1	REAL300000535592	0	31	-2.0	-98.35	336.25	5.05	-93.30
COC(=O)C1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000535593	0	28	-2.0	-103.39	318.79	4.42	-98.97
COC(=O)C1=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000535594	0	31	-2.0	-100.72	330.15	4.53	-96.19
COC(=O)C1=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000535595	0	31	-2.0	-103.37	336.83	5.28	-98.09
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C(Cl)S1	REAL300000535596	0	31	-2.0	-95.08	331.66	5.42	-89.66
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C(Cl)S1	REAL300000535597	0	28	-2.0	-97.12	319.40	4.50	-92.62
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C(Cl)S1	REAL300000535598	0	31	-2.0	-98.62	333.56	5.44	-93.18
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C(Cl)S1	REAL300000535599	0	31	-2.0	-95.08	332.60	5.44	-89.64
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C(Cl)S1	REAL300000535600	0	32	-2.0	-104.71	336.84	3.11	-101.60
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C(Cl)S1	REAL300000535601	0	34	-2.0	-97.77	349.32	6.15	-91.62
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C(Cl)S1	REAL300000535602	0	34	-2.0	-105.11	337.18	6.02	-99.09
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C(Cl)S1	REAL300000535603	0	34	-2.0	-95.33	342.55	6.15	-89.18
CCN1C=C(S(=O)(=O)[N-]C2=C(C(=O)OC)SC(Cl)=C2)C=C1C(=O)[O-]	REAL300000535604	0	35	-2.0	-107.30	355.08	5.59	-101.71
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C(Cl)S1	REAL300000535605	0	34	-2.0	-95.64	343.15	5.92	-89.72
COC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C(Cl)S1	REAL300000535606	0	31	-2.0	-113.18	330.78	5.39	-107.79
COC(=O)C1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C(Cl)S1	REAL300000535607	0	30	-2.0	-105.38	323.35	3.51	-101.87
CCC1=C(S(=O)(=O)[N-]C2=C(C(=O)OC)SC(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000535608	0	34	-2.0	-99.85	347.65	5.34	-94.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NNC4=C3COCC4)C=C2)C=C1	REAL300000535609	1	43	-2.0	-98.86	375.56	4.86	-94.00
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NNC4=C3COCC4)C=C2)=C1	REAL300000535610	1	43	-2.0	-111.60	375.57	4.85	-106.75
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1C	REAL300000535611	1	42	-2.0	-88.75	371.68	3.65	-85.10
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000535612	1	35	-2.0	-104.89	319.75	5.09	-99.80
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC)=C1	REAL300000535613	0	43	-2.0	-106.19	374.84	6.15	-100.04
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000535615	1	35	-2.0	-107.43	315.22	5.05	-102.38
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC)=C1	REAL300000535616	0	39	-2.0	-113.02	343.36	4.86	-108.16
COC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1C	REAL300000535617	1	39	-2.0	-94.71	346.67	6.35	-88.36
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1C	REAL300000535619	0	35	-2.0	-102.95	328.29	5.63	-97.32
COC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000535620	1	35	-2.0	-103.25	327.73	5.45	-97.80
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=CC=C1C	REAL300000535621	0	35	-2.0	-98.59	340.79	6.01	-92.58
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1C	REAL300000535622	1	41	-2.0	-110.55	347.90	6.40	-104.15
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C	REAL300000535623	0	35	-2.0	-104.72	320.70	5.12	-99.60
COC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C	REAL300000535624	1	41	-2.0	-93.98	358.79	6.65	-87.33
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C	REAL300000535625	0	32	-2.0	-101.59	308.41	4.07	-97.52
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1C	REAL300000535626	1	38	-2.0	-108.32	330.66	5.84	-102.48
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000535628	1	36	-2.0	-105.87	321.87	4.41	-101.46
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1C	REAL300000535630	0	35	-2.0	-97.77	324.34	4.74	-93.03
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C	REAL300000535632	0	32	-2.0	-103.15	306.87	4.09	-99.06
COC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=CC=C1C	REAL300000535633	1	43	-2.0	-107.75	373.56	4.87	-102.88
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=CC=C1C	REAL300000535635	1	45	-2.0	-112.28	370.46	7.69	-104.59
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1C	REAL300000535636	1	44	-2.0	-110.65	369.13	7.06	-103.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC)=C1	REAL300000535637	1	41	-2.0	-106.67	345.37	6.77	-99.90
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C(OC)=C1	REAL300000535638	0	42	-2.0	-113.67	365.65	5.63	-108.04
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000535639	0	38	-2.0	-109.52	350.34	5.48	-104.04
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000535639	1	37	-3.0	-182.31	343.63	5.62	-176.69
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1C	REAL300000535640	1	42	-2.0	-112.64	359.49	6.95	-105.69
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1C	REAL300000535641	0	35	-2.0	-101.20	318.23	4.19	-97.01
COC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=CC=C1C	REAL300000535642	1	41	-2.0	-112.24	357.39	4.83	-107.41
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1C	REAL300000535643	0	39	-2.0	-108.51	344.21	4.15	-104.36
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000535645	1	35	-2.0	-97.01	342.90	5.91	-91.10
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1C	REAL300000535646	0	35	-2.0	-99.63	332.81	5.65	-93.98
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CC=C1C	REAL300000535647	1	39	-2.0	-91.87	362.32	5.88	-85.99
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=CC=C1C	REAL300000535649	1	45	-2.0	-92.69	394.97	6.30	-86.39
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C	REAL300000535650	1	38	-2.0	-98.83	335.93	5.88	-92.95
COC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1C	REAL300000535652	1	39	-2.0	-92.82	352.51	5.41	-87.41
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1C	REAL300000535654	1	35	-2.0	-104.79	323.82	4.95	-99.84
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=CC=C1C	REAL300000535655	0	35	-2.0	-96.75	343.44	6.08	-90.67
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C	REAL300000535656	0	35	-2.0	-92.46	328.27	5.62	-86.84
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C	REAL300000535657	1	35	-2.0	-94.39	319.75	5.10	-89.29
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C	REAL300000535658	0	32	-2.0	-96.57	307.49	4.19	-92.38
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C	REAL300000535659	1	35	-2.0	-98.26	321.62	5.13	-93.13
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1C	REAL300000535660	0	38	-2.0	-106.15	340.99	5.76	-100.39
COC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=CC=C1C	REAL300000535661	0	39	-2.0	-97.07	355.53	5.68	-91.39
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C	REAL300000535662	0	35	-2.0	-94.34	320.68	5.13	-89.21
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C	REAL300000535663	1	35	-2.0	-92.47	327.72	5.46	-87.01
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1C	REAL300000535664	1	38	-2.0	-100.52	344.66	6.26	-94.26
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1C	REAL300000535665	1	43	-2.0	-91.52	378.97	6.47	-85.05
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000535666	1	35	-2.0	-96.37	326.04	5.15	-91.22
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C	REAL300000535667	0	37	-2.0	-92.36	343.41	5.73	-86.63
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C	REAL300000535668	0	36	-2.0	-107.14	324.94	2.76	-104.38
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C	REAL300000535668	1	36	-2.0	-103.81	313.95	3.66	-100.15
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C	REAL300000535669	1	38	-2.0	-98.62	337.39	5.84	-92.78
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000535670	1	35	-2.0	-97.78	335.92	5.59	-92.19
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C	REAL300000535671	1	38	-2.0	-103.72	324.77	5.73	-97.99
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1C	REAL300000535672	1	38	-2.0	-106.20	340.07	5.71	-100.49
COC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1C	REAL300000535675	0	37	-2.0	-105.60	341.78	6.15	-99.45
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1C	REAL300000535676	0	35	-2.0	-96.31	326.98	5.19	-91.12
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1C	REAL300000535678	0	38	-2.0	-107.01	340.54	5.76	-101.25
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1C	REAL300000535679	0	38	-2.0	-104.77	346.97	6.20	-98.57
COC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1C	REAL300000535680	0	38	-2.0	-112.38	340.26	5.75	-106.63
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC)=C2)C=C1C(=O)[O-]	REAL300000535681	1	41	-2.0	-109.40	349.46	6.25	-103.15
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1C	REAL300000535683	1	38	-2.0	-96.87	341.49	6.23	-90.64
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=CC=C1C	REAL300000535684	1	38	-2.0	-91.40	345.33	5.87	-85.53
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1C	REAL300000535685	1	38	-2.0	-105.07	346.46	6.02	-99.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC)=C2)C=C1C(=O)[O-]	REAL300000535686	1	39	-2.0	-107.09	343.23	5.27	-101.82
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=CC=C1C	REAL300000535688	0	35	-2.0	-94.94	340.82	5.62	-89.32
COC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000535689	1	38	-2.0	-101.90	348.96	6.13	-95.77
COC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1C	REAL300000535690	0	44	-2.0	-104.43	364.66	7.19	-97.24
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=CC=C1C	REAL300000535691	0	39	-2.0	-108.59	355.54	5.69	-102.90
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1C	REAL300000535693	0	40	-2.0	-100.37	358.49	7.25	-93.12
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1C	REAL300000535695	0	37	-2.0	-114.71	338.95	6.91	-107.80
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C	REAL300000535696	0	35	-2.0	-111.64	318.88	5.09	-106.55
COC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C	REAL300000535697	1	38	-2.0	-100.07	340.16	5.74	-94.33
COC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C	REAL300000535698	1	41	-2.0	-115.81	356.26	7.18	-108.63
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C	REAL300000535699	0	34	-2.0	-104.51	312.21	3.11	-101.40
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1C	REAL300000535700	0	39	-2.0	-99.36	343.43	4.85	-94.51
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1C	REAL300000535701	0	32	-2.0	-95.09	315.37	4.03	-91.06
COC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C	REAL300000535702	1	42	-2.0	-101.68	361.35	6.95	-94.73
COC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C	REAL300000535703	1	42	-2.0	-105.23	360.69	6.94	-98.29
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(OC)=C2)C=C(C(=O)[O-])O1	REAL300000535704	0	38	-2.0	-101.16	337.35	5.04	-96.12
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(Cl)C=CC3=NC=CC=C32)=C1	REAL300000535714	1	33	-2.0	-102.04	323.84	6.28	-95.76
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(Cl)C=CC3=NC=CC=C32)=C1	REAL300000535716	1	30	-2.0	-99.90	311.55	5.23	-94.67
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(Cl)C=CC3=NC=CC=C32)=C1	REAL300000535721	1	33	-2.0	-96.32	327.47	5.90	-90.42
CC1=C(S(=O)(=O)[N-]C2=C(Cl)C=CC3=NC=CC=C32)C=C(C(=O)[O-])O1	REAL300000535726	1	33	-2.0	-100.85	321.43	5.35	-95.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(Cl)C=CC3=NC=CC=C32)S1	REAL300000535732	1	30	-2.0	-95.16	310.63	5.34	-89.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(Cl)C=CC3=NC=CC=C32)=C1F	REAL300000535734	1	36	-2.0	-103.59	344.20	6.91	-96.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(Cl)C=CC3=NC=CC=C32)C(F)=C1	REAL300000535735	1	33	-2.0	-92.93	323.83	6.29	-86.64
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(Cl)C=CC3=NC=CC=C32)=C1	REAL300000535738	0	34	-2.0	-104.20	321.31	4.65	-99.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(Cl)C=CC3=NC=CC=C32)=C1	REAL300000535744	1	33	-2.0	-94.39	330.19	6.34	-88.05
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(Cl)C=CC3=NC=CC=C32)C=C1C(=O)[O-]	REAL300000535746	1	36	-2.0	-104.55	343.34	6.93	-97.62
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(Cl)C=CC3=NC=CC=C32)=C1	REAL300000535747	1	36	-2.0	-110.69	343.46	6.91	-103.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(Cl)C=CC3=NC=CC=C32)=C1F	REAL300000535752	1	33	-2.0	-109.75	322.06	6.24	-103.51
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(Cl)C=CC3=NC=CC=C32)=C1	REAL300000535754	0	32	-2.0	-102.95	315.08	4.27	-98.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(Cl)C=CC3=NC=CC=C32)=C(Cl)O1	REAL300000535756	1	30	-2.0	-94.01	318.26	5.18	-88.83
CCC1=C(S(=O)(=O)[N-]C2=C(Cl)C=CC3=NC=CC=C32)C=C(C(=O)[O-])O1	REAL300000535757	1	36	-2.0	-99.06	340.50	6.21	-92.85
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000535758	1	38	-2.0	-105.59	358.25	5.58	-100.01
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C2N1	REAL300000535759	1	38	-2.0	-95.91	353.70	5.56	-90.35
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000535760	1	38	-2.0	-108.02	353.71	5.55	-102.47
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000535761	1	41	-2.0	-109.08	369.73	6.08	-103.00
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2N1	REAL300000535762	0	38	-2.0	-104.84	359.19	5.61	-99.23
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2N1	REAL300000535763	0	35	-2.0	-102.40	346.90	4.56	-97.84
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C2N1	REAL300000535764	1	41	-2.0	-108.29	369.14	6.33	-101.96
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000535765	0	39	-2.0	-106.59	360.36	4.89	-101.70
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC=C2N1	REAL300000535766	0	38	-2.0	-98.70	362.83	5.23	-93.47
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2N1	REAL300000535767	0	35	-2.0	-103.90	345.36	4.58	-99.32
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000535768	0	38	-2.0	-101.91	356.72	4.69	-97.22
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C2N1	REAL300000535769	0	38	-2.0	-104.98	362.31	5.44	-99.54
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2N1	REAL300000535770	1	38	-2.0	-95.43	358.24	5.59	-89.84
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2N1	REAL300000535771	0	35	-2.0	-97.54	345.98	4.68	-92.86
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000535772	1	38	-2.0	-99.03	360.12	5.61	-93.42
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2N1	REAL300000535773	0	38	-2.0	-95.27	359.18	5.62	-89.65
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2N1	REAL300000535774	0	39	-2.0	-107.11	363.42	3.26	-103.85
COC(=O)C1=CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2N1	REAL300000535774	1	39	-2.0	-104.94	352.44	4.15	-100.79
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2N1	REAL300000535775	1	41	-2.0	-98.72	375.88	6.33	-92.39
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C2N1	REAL300000535776	1	41	-2.0	-104.66	363.78	6.19	-98.47
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)OC)=CC3=C2)C=C1C(=O)[O-]	REAL300000535778	0	42	-2.0	-107.90	381.73	5.76	-102.14
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C2N1	REAL300000535779	1	41	-2.0	-95.94	369.72	6.09	-89.85
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2N1	REAL300000535780	0	38	-2.0	-112.63	357.37	5.58	-107.05
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2N1	REAL300000535781	0	37	-2.0	-105.60	349.93	3.67	-101.93
COC(=O)C1=CC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000535782	0	35	-2.0	-95.96	353.85	4.52	-91.44
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)OC)=CC3=C2)C=C(C(=O)[O-])O1	REAL300000535783	0	41	-2.0	-101.57	375.83	5.54	-96.03
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535784	1	44	-2.0	-117.81	375.43	8.08	-109.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C2=C1CCCC2	REAL300000535787	0	38	-2.0	-122.17	329.14	7.71	-114.46
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C2=C1CCCC2	REAL300000535788	0	41	-2.0	-99.28	353.33	7.06	-92.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C2=C1CCCC2	REAL300000535789	0	37	-2.0	-104.80	332.53	6.07	-98.73
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535790	1	39	-2.0	-111.54	341.48	7.81	-103.73
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1	REAL300000535791	1	39	-2.0	-107.34	341.46	7.83	-99.51
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C2=C1CCCC2	REAL300000535792	0	38	-2.0	-110.81	342.88	8.02	-102.79
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=CC=C1F	REAL300000535793	0	41	-2.0	-102.37	352.82	7.93	-94.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1[N+](=O)[O-]	REAL300000535794	1	43	-2.0	-112.50	364.93	8.62	-103.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C2=C1CCCC2	REAL300000535795	1	41	-2.0	-106.58	359.38	8.43	-98.15
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1	REAL300000535797	0	41	-2.0	-108.22	348.26	7.90	-100.32
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535798	0	46	-2.0	-123.33	378.38	6.52	-116.81
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535801	0	40	-2.0	-104.00	333.82	6.39	-97.61
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535802	0	41	-2.0	-101.11	348.31	7.90	-93.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535802	1	40	-3.0	-180.79	349.11	7.98	-172.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C2=C1CCCC2	REAL300000535803	1	38	-2.0	-104.65	333.35	7.55	-97.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C2=C1CCCC2	REAL300000535804	1	41	-2.0	-110.71	359.72	8.45	-102.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C2=C1CCCC2	REAL300000535807	0	41	-2.0	-117.55	345.51	8.78	-108.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C2=C1CCCC2	REAL300000535808	1	38	-2.0	-111.19	337.37	7.95	-103.24
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1	REAL300000535809	1	43	-2.0	-113.07	361.11	7.83	-105.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C2=C1CCCC2	REAL300000535812	1	38	-2.0	-104.94	343.24	7.99	-96.95
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535813	1	43	-2.0	-124.26	361.13	7.81	-116.45
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535815	0	44	-2.0	-127.73	365.89	8.83	-118.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C2=C1CCCC2	REAL300000535819	0	35	-2.0	-106.92	329.61	7.06	-99.86
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535821	0	42	-2.0	-121.78	348.91	7.23	-114.55
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1C(=O)[O-]	REAL300000535822	0	44	-2.0	-128.50	363.73	8.40	-120.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C2=C1CCCC2	REAL300000535823	0	38	-2.0	-108.21	338.75	7.62	-100.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C2=C1CCCC2	REAL300000535824	0	38	-2.0	-115.71	333.79	8.00	-107.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C2=C1CCCC2	REAL300000535825	1	40	-2.0	-111.58	348.86	8.10	-103.48
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535826	1	43	-2.0	-112.14	364.36	8.88	-103.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C2=C1CCCC2	REAL300000535827	0	35	-2.0	-112.65	312.58	6.43	-106.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C2=C1CCCC2	REAL300000535829	0	40	-2.0	-125.55	341.74	8.85	-116.70
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C2=C1CCCC2	REAL300000535832	0	38	-2.0	-110.07	332.56	7.57	-102.50
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C2=C1CCCC2	REAL300000535833	1	38	-2.0	-111.32	327.05	7.49	-103.83
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C2=C1CCCC2	REAL300000535834	1	38	-2.0	-105.15	333.47	7.57	-97.58
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C2=C1CCCC2	REAL300000535838	1	38	-2.0	-108.18	337.38	7.95	-100.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C2=C1CCCC2	REAL300000535839	1	40	-2.0	-102.85	348.87	8.11	-94.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)S1	REAL300000535842	0	38	-2.0	-113.71	334.47	7.24	-106.47
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535843	0	42	-2.0	-114.64	365.64	7.75	-106.89
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535844	0	40	-3.0	-178.53	354.58	8.06	-170.47
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535844	1	41	-2.0	-96.06	352.82	7.59	-88.47
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535845	1	43	-2.0	-109.20	358.97	8.71	-100.49
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C2=C1CCCC2	REAL300000535846	0	38	-2.0	-113.76	332.55	7.57	-106.19
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C2=C1CCCC2	REAL300000535847	1	42	-2.0	-110.32	356.38	4.24	-106.08
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535851	0	37	-3.0	-173.42	342.30	7.02	-166.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C2=C1CCCC2	REAL300000535852	1	41	-2.0	-109.84	352.39	4.93	-104.91
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535853	0	44	-2.0	-124.25	362.58	8.68	-115.57
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535854	0	44	-2.0	-112.40	358.25	6.51	-105.89
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1	REAL300000535855	1	44	-2.0	-109.39	375.42	8.10	-101.29
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1	REAL300000535856	1	45	-2.0	-113.69	377.08	5.72	-107.97
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1	REAL300000535857	1	42	-2.0	-113.63	355.15	4.22	-109.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C2=C1CCCC2	REAL300000535859	1	44	-2.0	-117.14	366.60	9.72	-107.42
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=CS1	REAL300000535860	0	41	-2.0	-124.04	360.23	7.75	-116.29
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C2=C1CCCC2	REAL300000535865	0	38	-2.0	-118.76	326.16	7.49	-111.27
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535866	0	44	-2.0	-127.32	373.53	6.02	-121.30
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=C3CCCC4)=C2N=C1	REAL300000535867	0	46	-2.0	-130.22	381.99	8.72	-121.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(Cl)=C1	REAL300000535869	1	41	-2.0	-115.45	355.19	8.66	-106.79
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C2=C1CCCC2	REAL300000535872	1	38	-2.0	-107.68	340.18	8.07	-99.61
CN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1C(=O)[O-]	REAL300000535874	0	42	-2.0	-102.66	356.77	7.29	-95.37
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1C(=O)[O-]	REAL300000535874	1	41	-3.0	-178.28	355.76	7.34	-170.94
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1Cl	REAL300000535875	0	38	-2.0	-120.58	338.12	7.00	-113.58
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1C(N)=O	REAL300000535876	0	43	-2.0	-112.38	363.04	3.58	-108.80
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300000535882	0	38	-2.0	-111.06	325.19	5.15	-105.91
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535883	1	43	-2.0	-102.98	364.36	8.88	-94.10
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CN1C	REAL300000535884	0	46	-2.0	-112.79	384.82	5.06	-107.73
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535885	1	41	-2.0	-111.66	352.87	8.73	-102.93
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535888	0	40	-3.0	-168.72	358.21	7.67	-161.05
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1Cl	REAL300000535889	1	39	-2.0	-104.19	356.86	8.23	-95.96
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CC=C1Cl	REAL300000535890	1	39	-2.0	-104.98	356.88	8.23	-96.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C2=C1CCCC2	REAL300000535891	1	42	-2.0	-119.13	359.01	7.81	-111.32
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C2=C1CCCC2	REAL300000535893	0	38	-2.0	-115.17	342.33	7.99	-107.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1F	REAL300000535894	1	41	-2.0	-111.65	347.37	8.14	-103.51
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535896	0	41	-2.0	-118.95	347.56	8.16	-110.79
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535897	1	41	-2.0	-111.84	342.54	8.28	-103.56
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535898	0	43	-2.0	-125.69	356.26	9.68	-116.01
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=CS1	REAL300000535899	0	38	-2.0	-101.51	341.31	6.98	-94.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CS1	REAL300000535899	1	37	-3.0	-175.50	340.78	7.04	-168.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C2=C1CCCC2	REAL300000535900	0	40	-2.0	-119.72	345.58	8.88	-110.84
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535903	0	42	-2.0	-117.06	351.76	5.80	-111.26
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535903	1	42	-2.0	-101.31	346.54	5.94	-95.37
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C2=C1CCCC2	REAL300000535904	0	35	-2.0	-108.57	302.23	3.84	-104.73
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)S1	REAL300000535905	0	41	-2.0	-107.31	368.52	7.19	-100.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)C2=C1CCCC2	REAL300000535906	1	42	-2.0	-106.57	358.47	7.80	-98.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C2=C1CCCC2	REAL300000535907	0	38	-2.0	-111.83	335.57	7.78	-104.05
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C(C(=O)[O-])O1	REAL300000535908	0	40	-3.0	-172.59	352.12	7.15	-165.44
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C(C(=O)[O-])O1	REAL300000535908	1	41	-2.0	-117.91	349.56	6.69	-111.22
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C2=C1CCCC2	REAL300000535909	0	41	-2.0	-134.75	348.84	6.65	-128.10
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535910	0	48	-2.0	-123.46	392.17	8.82	-114.64
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C2=C1CCCC2	REAL300000535911	1	43	-2.0	-124.73	368.97	7.60	-117.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C2=C1CCCC2	REAL300000535912	0	40	-2.0	-129.53	346.65	9.07	-120.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C2=C1CCCC2	REAL300000535913	0	45	-2.0	-112.13	381.21	8.56	-103.57
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C2=C1CCCC2	REAL300000535914	0	37	-2.0	-105.01	322.05	5.71	-99.30
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535915	0	41	-2.0	-112.81	368.70	7.10	-105.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C2=C1CCCC2	REAL300000535916	1	43	-2.0	-115.48	356.81	7.87	-107.61
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535917	0	38	-2.0	-121.83	324.83	6.52	-115.31
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=C3CCCC4)C=C12	REAL300000535919	0	42	-2.0	-104.18	360.40	4.41	-99.77
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C2=C1CCCC2	REAL300000535920	0	38	-2.0	-115.93	332.44	7.55	-108.38
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(F)=C1	REAL300000535921	0	42	-2.0	-117.19	358.65	7.01	-110.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C2=C1CCCC2	REAL300000535922	0	44	-2.0	-120.13	363.79	7.07	-113.06
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CN1C	REAL300000535923	0	41	-2.0	-123.20	344.34	6.32	-116.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C2=C1CCCC2	REAL300000535924	0	42	-2.0	-116.75	358.67	7.48	-109.27
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300000535925	0	41	-2.0	-111.35	346.72	6.00	-105.35
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535926	1	45	-2.0	-116.74	375.71	7.15	-109.59
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C2=C1CCCC2	REAL300000535927	1	43	-2.0	-112.78	356.64	6.73	-106.05
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C2=C1CCCC2	REAL300000535928	0	38	-2.0	-111.15	340.19	8.07	-103.08
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535930	0	38	-2.0	-109.27	321.07	4.48	-104.79
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535931	1	42	-2.0	-116.48	350.14	6.73	-109.75
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=N1	REAL300000535933	0	38	-2.0	-119.48	325.66	4.97	-114.51
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535934	0	38	-2.0	-107.05	322.24	4.99	-102.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(F)=C1	REAL300000535938	0	41	-2.0	-118.27	347.56	8.18	-110.09
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C2=C1CCCC2	REAL300000535940	0	35	-2.0	-120.10	302.12	4.81	-115.29
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)O1	REAL300000535941	0	41	-2.0	-107.27	360.19	6.23	-101.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C2=C1CCCC2	REAL300000535942	0	43	-2.0	-130.36	360.58	8.08	-122.28
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C(C(=O)[O-])S1	REAL300000535943	0	41	-2.0	-120.50	356.91	7.44	-113.06
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C(C(=O)[O-])S1	REAL300000535943	1	40	-3.0	-177.71	357.74	7.90	-169.81
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535944	0	42	-2.0	-116.49	363.26	7.30	-109.19
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CN=C1Cl	REAL300000535945	0	40	-2.0	-105.40	351.32	6.66	-98.74
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535946	0	44	-2.0	-122.79	379.72	4.97	-117.82
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535949	0	50	-2.0	-113.12	399.76	8.04	-105.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)SC=C1	REAL300000535950	0	38	-2.0	-114.81	330.21	7.16	-107.65
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1C	REAL300000535951	0	47	-2.0	-112.54	380.06	7.38	-105.16
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CC=C1[N+](=O)[O-]	REAL300000535952	1	43	-2.0	-103.36	367.24	8.70	-94.66
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535953	1	42	-2.0	-111.89	356.92	8.60	-103.29
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535955	0	42	-2.0	-116.14	358.30	7.90	-108.24
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535956	1	42	-2.0	-107.51	356.90	8.59	-98.92
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(F)=C1	REAL300000535958	0	39	-2.0	-109.94	346.95	7.89	-102.05
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=C3CCCC4)C=C2O1	REAL300000535959	1	43	-2.0	-111.78	364.29	5.09	-106.69
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300000535960	0	44	-2.0	-111.30	365.40	6.53	-104.77
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300000535962	0	44	-2.0	-117.03	379.99	6.21	-110.82
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CN1	REAL300000535963	0	44	-2.0	-120.24	364.61	5.88	-114.36
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C2=C1CCCC2	REAL300000535965	1	38	-2.0	-99.40	339.65	7.61	-91.79
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CN1C	REAL300000535967	0	45	-2.0	-116.98	381.82	7.53	-109.45
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1F	REAL300000535968	0	41	-2.0	-112.36	352.61	7.94	-104.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1F	REAL300000535968	1	40	-3.0	-164.68	353.64	8.03	-156.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)S1	REAL300000535970	0	37	-3.0	-167.43	341.37	7.12	-160.31
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535971	0	47	-2.0	-121.92	385.36	8.68	-113.24
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535972	0	41	-2.0	-119.43	354.74	7.96	-111.47
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535972	1	40	-3.0	-170.72	355.52	8.06	-162.66
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CN1	REAL300000535973	0	42	-2.0	-114.56	364.05	5.78	-108.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(F)=C1	REAL300000535974	0	40	-3.0	-165.40	354.58	8.07	-157.33
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C(F)=C1	REAL300000535974	1	41	-2.0	-102.88	352.79	7.57	-95.31
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535975	1	41	-2.0	-110.86	341.03	8.26	-102.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CS1	REAL300000535976	0	41	-2.0	-113.37	367.93	7.12	-106.25
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)S1	REAL300000535977	0	40	-2.0	-112.37	348.46	5.85	-106.52
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1	REAL300000535978	1	42	-2.0	-120.55	362.90	8.60	-111.95
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535979	1	44	-2.0	-115.82	363.53	8.86	-106.96
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535980	1	41	-2.0	-111.24	348.48	8.16	-103.08
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535981	0	44	-2.0	-108.52	380.15	6.94	-101.58
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C(F)C=C1F	REAL300000535983	0	41	-2.0	-110.23	352.86	8.20	-102.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C2=C1CCCC2	REAL300000535984	1	44	-2.0	-122.72	361.70	9.75	-112.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C2=C1CCCC2	REAL300000535985	0	40	-2.0	-111.19	352.64	6.93	-104.26
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535986	0	41	-3.0	-181.55	358.83	5.71	-175.84
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000535986	1	41	-3.0	-185.07	353.55	5.87	-179.20
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1	REAL300000535988	0	44	-2.0	-104.92	370.53	8.67	-96.25
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1	REAL300000535988	1	43	-3.0	-171.25	371.28	8.77	-162.48
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)O1	REAL300000535989	0	44	-2.0	-107.42	382.05	7.15	-100.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C2=C1CCCC2	REAL300000535990	0	40	-2.0	-103.46	355.28	8.18	-95.28
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)SC=C1	REAL300000535991	0	39	-2.0	-122.97	342.82	5.71	-117.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C2=C1CCCC2	REAL300000535992	0	41	-2.0	-115.15	350.40	7.83	-107.32
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=C3CCCC4)C=CC=C2C=C1	REAL300000535993	0	46	-2.0	-132.14	382.17	8.67	-123.47
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535994	0	40	-2.0	-118.42	353.89	6.19	-112.23
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535995	0	38	-2.0	-103.41	336.70	6.35	-97.06
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)N=C1Cl	REAL300000535996	0	38	-2.0	-116.82	340.98	6.26	-110.56
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CC(OC)=C1	REAL300000535997	1	46	-2.0	-117.08	379.65	6.05	-111.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C2=C1CCCC2	REAL300000535998	0	39	-2.0	-118.01	336.49	6.17	-111.84
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000535999	0	39	-2.0	-105.14	342.87	5.27	-99.87
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)S1	REAL300000536000	0	37	-2.0	-109.93	329.18	5.26	-104.67
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536001	0	44	-2.0	-103.70	355.68	8.18	-95.52
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536003	0	44	-2.0	-110.39	362.48	8.67	-101.72
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1F	REAL300000536004	0	41	-2.0	-113.51	352.86	8.21	-105.30
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536006	0	44	-2.0	-121.03	366.26	7.81	-113.22
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300000536007	0	43	-2.0	-105.36	371.39	6.27	-99.09
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536008	1	46	-2.0	-124.59	383.73	8.70	-115.89
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300000536009	0	45	-2.0	-109.58	380.39	5.05	-104.53
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C([N+](=O)[O-])=N1	REAL300000536010	0	43	-2.0	-118.03	370.97	8.26	-109.77
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)S1	REAL300000536012	0	47	-2.0	-113.99	393.64	9.08	-104.91
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536013	0	44	-2.0	-121.08	368.14	8.18	-112.90
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C2=C1CCCC2	REAL300000536014	0	46	-2.0	-109.77	378.70	5.18	-104.59
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1F	REAL300000536015	0	41	-2.0	-119.61	346.47	8.14	-111.47
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300000536016	1	44	-2.0	-107.33	369.69	5.05	-102.28
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C2=C1CCCC2	REAL300000536017	0	45	-2.0	-123.59	366.43	7.48	-116.11
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1	REAL300000536018	1	45	-2.0	-114.41	375.72	7.16	-107.25
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536019	0	43	-2.0	-118.78	359.92	4.42	-114.36
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1Cl	REAL300000536020	0	41	-2.0	-116.54	352.51	8.58	-107.96
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C(C)O1	REAL300000536022	0	41	-2.0	-112.49	343.62	7.02	-105.47
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536024	1	45	-2.0	-113.25	367.27	7.46	-105.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)O1	REAL300000536026	0	38	-2.0	-112.92	325.24	6.25	-106.67
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536027	0	41	-2.0	-114.49	352.86	7.80	-106.69
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C2=NC=CC=C2C=C1	REAL300000536029	0	46	-2.0	-130.49	374.56	9.25	-121.24
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C2=C1CCCC2	REAL300000536030	1	44	-2.0	-125.23	369.94	9.45	-115.78
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C2=C1CCCC2	REAL300000536031	0	40	-2.0	-100.97	353.40	8.12	-92.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C2=C1CCCC2	REAL300000536032	1	38	-2.0	-105.54	343.79	8.03	-97.51
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C(C)O1	REAL300000536033	0	44	-2.0	-109.03	378.50	7.01	-102.02
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C2=C1CCCC2	REAL300000536034	0	37	-2.0	-105.22	332.40	6.13	-99.09
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)N=C1C	REAL300000536035	0	44	-2.0	-123.08	366.42	7.22	-115.86
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536036	0	41	-2.0	-116.02	355.19	8.66	-107.36
CCN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1C(=O)[O-]	REAL300000536037	0	45	-2.0	-103.14	378.16	8.16	-94.98
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1C(=O)[O-]	REAL300000536037	1	44	-3.0	-179.71	377.12	8.22	-171.49
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536038	0	41	-2.0	-111.63	360.54	6.17	-105.46
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536039	0	50	-2.0	-113.72	400.12	7.99	-105.73
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C2=C1CCCC2	REAL300000536040	0	38	-2.0	-118.94	336.71	8.23	-110.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(Cl)=N1	REAL300000536041	0	40	-2.0	-112.71	350.53	6.75	-105.96
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536042	0	43	-2.0	-113.33	369.69	7.62	-105.71
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)S1	REAL300000536043	0	40	-2.0	-109.55	350.67	6.02	-103.53
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)S1	REAL300000536044	0	40	-2.0	-108.40	359.95	7.81	-100.59
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CN=C1Cl	REAL300000536045	0	41	-2.0	-103.43	361.51	5.39	-98.04
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(Cl)=C1	REAL300000536047	0	39	-2.0	-107.56	354.54	8.39	-99.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C2=C1CCCC2	REAL300000536048	0	41	-2.0	-122.81	348.58	7.75	-115.06
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536049	0	43	-2.0	-110.19	370.60	6.29	-103.90
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536050	1	48	-2.0	-121.55	384.20	9.19	-112.36
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536052	0	38	-2.0	-107.37	349.62	7.66	-99.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C2=C1CCCC2	REAL300000536053	1	41	-2.0	-120.21	354.81	8.36	-111.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C2=C1CCCC2	REAL300000536054	0	41	-2.0	-110.19	359.71	6.29	-103.90
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536055	1	42	-2.0	-121.29	356.73	8.50	-112.79
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CC=C1F	REAL300000536057	1	42	-2.0	-107.03	356.37	6.80	-100.23
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C2=C1CCCC2	REAL300000536058	0	35	-2.0	-111.94	303.33	5.43	-106.51
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536059	0	37	-2.0	-101.72	315.05	3.86	-97.86
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=C3CCCC4)=CN=C21	REAL300000536060	1	43	-2.0	-108.61	365.02	6.57	-102.04
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C2=C1CCCC2	REAL300000536061	0	37	-2.0	-105.08	341.83	7.20	-97.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C2=C1CCCC2	REAL300000536063	0	42	-2.0	-115.22	348.63	6.88	-108.34
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536064	0	39	-2.0	-111.42	354.56	8.39	-103.03
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536066	0	46	-2.0	-128.18	374.61	7.94	-120.24
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536068	0	41	-2.0	-118.97	340.09	8.42	-110.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C2=C1CCCC2	REAL300000536069	0	42	-2.0	-126.96	359.03	7.51	-119.45
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=C3CCCC4)C=CC=C12	REAL300000536070	0	46	-2.0	-130.11	378.51	8.62	-121.49
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C2=C1CCCC2	REAL300000536071	0	39	-2.0	-120.52	345.42	5.75	-114.77
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536072	0	41	-2.0	-110.61	345.22	4.91	-105.70
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)S1	REAL300000536074	0	41	-2.0	-117.09	365.60	4.93	-112.16
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)S1	REAL300000536074	1	40	-3.0	-172.73	362.33	3.80	-168.93
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536075	1	42	-2.0	-116.35	346.49	8.69	-107.66
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536076	1	42	-2.0	-120.56	362.90	8.59	-111.97
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(N)=NO1	REAL300000536078	0	39	-2.0	-103.41	327.09	4.84	-98.57
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536079	0	42	-2.0	-117.93	365.63	7.75	-110.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C2=C1CCCC2	REAL300000536080	1	39	-2.0	-109.57	348.15	6.21	-103.36
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536081	1	45	-2.0	-116.96	365.62	7.51	-109.45
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)S1	REAL300000536083	0	36	-2.0	-105.25	333.14	6.98	-98.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300000536084	1	40	-2.0	-111.26	337.26	6.26	-105.00
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C2=C1CCCC2	REAL300000536085	0	43	-2.0	-113.52	361.84	7.80	-105.72
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CC=C1C#N	REAL300000536086	1	42	-2.0	-106.97	360.63	8.32	-98.65
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C2=C1CCCC2	REAL300000536087	0	37	-2.0	-99.75	338.40	6.12	-93.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(F)=C1	REAL300000536089	0	42	-2.0	-115.51	355.63	6.80	-108.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C2=C1CCCC2	REAL300000536091	1	41	-2.0	-111.58	352.84	8.30	-103.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)N(C)N=C1	REAL300000536093	0	41	-2.0	-106.31	337.52	5.90	-100.41
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)O1	REAL300000536094	0	36	-2.0	-105.44	324.57	5.97	-99.47
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C2=C1CCCC2	REAL300000536095	1	35	-2.0	-110.81	311.75	6.35	-104.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC=C2)C2=C1CCCC2	REAL300000536096	0	35	-2.0	-111.01	303.18	5.32	-105.69
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=CC=C1C(=O)[O-]	REAL300000536097	0	44	-2.0	-106.48	363.68	8.41	-98.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300000536098	1	41	-2.0	-107.39	347.85	4.12	-103.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C2=C1CCCC2	REAL300000536099	0	38	-2.0	-113.65	342.87	8.02	-105.63
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C2=C1CCCC2	REAL300000536100	0	41	-2.0	-115.78	357.20	8.80	-106.98
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C2=C1CCCC2	REAL300000536101	0	41	-2.0	-118.88	347.25	6.06	-112.82
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536102	1	45	-2.0	-116.53	371.99	7.65	-108.88
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=C3CCCC4)C=C2C=C1	REAL300000536103	1	47	-2.0	-116.77	387.95	10.37	-106.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C2=C1CCCC2	REAL300000536104	0	35	-2.0	-113.95	328.63	6.90	-107.05
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536105	0	38	-2.0	-112.65	334.23	7.09	-105.56
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C2=C1CCCC2	REAL300000536106	0	35	-2.0	-109.09	318.92	4.24	-104.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C2=C1CCCC2	REAL300000536107	0	37	-2.0	-107.50	327.56	5.54	-101.96
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536108	0	47	-2.0	-108.35	384.94	6.49	-101.86
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300000536109	1	47	-2.0	-107.86	389.83	5.98	-101.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C2=C1CCCC2	REAL300000536111	0	41	-2.0	-109.48	356.83	7.90	-101.58
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536112	0	43	-2.0	-123.06	361.80	7.03	-116.03
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536113	0	37	-2.0	-106.26	329.13	5.73	-100.53
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C2=C1CCCC2	REAL300000536116	0	35	-2.0	-116.62	318.93	6.48	-110.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C2=C1CCCC2	REAL300000536117	1	47	-2.0	-113.56	385.49	9.03	-104.53
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1F	REAL300000536118	1	39	-2.0	-104.30	347.36	7.86	-96.44
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C2=C1CCCC2	REAL300000536121	0	35	-2.0	-113.78	302.27	4.02	-109.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C2=C1CCCC2	REAL300000536122	0	43	-2.0	-119.35	357.64	4.35	-115.00
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)S1	REAL300000536123	0	41	-2.0	-115.08	351.03	8.03	-107.05
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536124	1	40	-2.0	-104.53	348.20	6.81	-97.72
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=NN1C	REAL300000536126	0	41	-2.0	-112.77	341.32	5.66	-107.11
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536128	0	41	-2.0	-111.97	344.03	5.79	-106.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C2=C1CCCC2	REAL300000536129	0	38	-2.0	-109.70	336.33	4.96	-104.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C2=C1CCCC2	REAL300000536130	0	44	-2.0	-105.95	366.93	7.36	-98.59
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CC=C1Cl	REAL300000536131	1	42	-2.0	-107.69	366.18	7.29	-100.40
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1F	REAL300000536132	0	40	-3.0	-184.81	352.77	8.02	-176.79
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1F	REAL300000536132	1	41	-2.0	-132.22	350.90	7.56	-124.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C2=C1CCCC2	REAL300000536133	0	40	-2.0	-124.73	351.85	6.86	-117.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C2=C1CCCC2	REAL300000536134	1	43	-2.0	-116.83	356.45	7.28	-109.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C2=C1CCCC2	REAL300000536135	0	44	-2.0	-121.67	371.16	9.75	-111.92
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536136	0	41	-2.0	-115.51	347.63	8.93	-106.58
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C2=C1CCCC2	REAL300000536137	0	43	-2.0	-124.16	356.97	7.24	-116.92
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(F)=C1	REAL300000536141	0	41	-2.0	-121.05	350.57	8.39	-112.66
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=C3CCCC4)=CC=C21	REAL300000536142	1	43	-2.0	-113.25	364.50	5.89	-107.36
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536144	0	42	-2.0	-118.22	355.30	7.30	-110.92
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1Cl	REAL300000536146	1	41	-2.0	-104.21	363.91	4.66	-99.55
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536147	0	37	-2.0	-104.04	317.59	5.38	-98.66
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C2=C1CCCC2	REAL300000536149	1	44	-2.0	-123.23	368.77	8.42	-114.81
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C([N+](=O)[O-])S1	REAL300000536150	0	40	-2.0	-119.77	355.23	8.63	-111.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C2=C1CCCC2	REAL300000536152	0	37	-2.0	-115.54	321.15	5.61	-109.93
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C2=C1CCCC2	REAL300000536154	1	37	-2.0	-104.03	322.08	5.59	-98.44
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C2=C1CCCC2	REAL300000536157	1	38	-2.0	-105.27	343.24	8.00	-97.27
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C2=C1CCCC2	REAL300000536158	0	46	-2.0	-124.22	372.83	8.65	-115.57
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536161	1	45	-2.0	-124.77	376.59	4.87	-119.90
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)N(C)N=C1	REAL300000536164	0	44	-2.0	-113.41	369.89	6.52	-106.89
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)O1	REAL300000536168	0	44	-2.0	-107.84	378.08	6.81	-101.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C2=C1CCCC2	REAL300000536169	0	41	-2.0	-110.35	360.39	6.94	-103.41
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C2=C1CCCC2	REAL300000536170	0	37	-2.0	-108.23	338.02	6.03	-102.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(F)=C1F	REAL300000536171	0	41	-2.0	-115.85	352.78	8.20	-107.65
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)OC=C1	REAL300000536172	0	41	-2.0	-120.53	352.78	6.90	-113.63
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=N1	REAL300000536173	0	40	-2.0	-127.72	349.01	6.33	-121.39
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(C)=N1	REAL300000536174	0	50	-2.0	-111.66	408.57	8.19	-103.47
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536175	0	39	-3.0	-178.10	346.11	6.05	-172.05
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536176	0	42	-2.0	-113.39	353.26	7.49	-105.90
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536177	1	39	-2.0	-105.42	347.89	7.90	-97.52
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C2=C1CCCC2	REAL300000536178	0	40	-2.0	-125.47	343.81	6.63	-118.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C2=C1CCCC2	REAL300000536178	1	40	-2.0	-111.61	343.92	6.48	-105.13
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C2=C1CCCC2	REAL300000536179	0	42	-2.0	-120.95	354.39	7.40	-113.55
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536180	0	48	-2.0	-109.80	381.64	7.55	-102.25
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(C(C)(C)C)=N1	REAL300000536181	0	50	-2.0	-111.40	386.41	7.98	-103.42
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C2=C1CCCC2	REAL300000536182	0	48	-2.0	-111.18	388.05	7.79	-103.39
O=C([O-])C1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C2=C1CCCC2	REAL300000536183	0	39	-2.0	-96.41	331.54	5.34	-91.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C2=C1CCCC2	REAL300000536183	1	39	-2.0	-113.67	336.84	5.20	-108.47
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536185	0	41	-2.0	-126.99	351.66	5.10	-121.89
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536186	0	44	-2.0	-112.09	361.36	6.51	-105.58
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1F	REAL300000536187	1	43	-2.0	-113.14	365.67	7.90	-105.24
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300000536188	0	38	-2.0	-106.24	325.85	4.79	-101.45
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1	REAL300000536191	1	45	-2.0	-117.95	384.40	9.38	-108.57
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536193	0	38	-2.0	-103.48	339.90	3.23	-100.25
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C2=C1CCCC2	REAL300000536195	0	34	-2.0	-106.19	307.39	5.13	-101.06
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C(C(N)=O)O1	REAL300000536197	0	42	-2.0	-112.76	361.99	3.02	-109.74
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C2=C1CCCC2	REAL300000536199	0	38	-2.0	-111.32	336.02	7.47	-103.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C(Cl)O1	REAL300000536200	0	37	-3.0	-165.94	349.25	6.97	-158.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C2=C1CCCC2	REAL300000536201	1	43	-2.0	-122.37	356.90	7.93	-114.44
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536202	0	45	-2.0	-115.15	382.04	7.64	-107.51
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1F	REAL300000536203	0	39	-2.0	-115.93	346.48	7.86	-108.07
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C2=C1CCCC2	REAL300000536204	0	45	-2.0	-111.33	370.54	7.12	-104.21
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C2=C1CCCC2	REAL300000536205	0	45	-2.0	-110.08	369.64	7.22	-102.86
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C2=C1CCCC2	REAL300000536206	0	48	-2.0	-109.68	390.20	7.95	-101.73
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1F	REAL300000536207	1	42	-2.0	-103.28	366.53	6.98	-96.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C2=C1CCCC2	REAL300000536208	0	45	-2.0	-114.46	365.03	7.46	-107.00
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1F	REAL300000536209	0	42	-2.0	-111.59	361.85	6.87	-104.72
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536210	1	41	-2.0	-110.24	343.58	8.16	-102.08
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=C3CCCC4)=C2O1	REAL300000536211	0	46	-2.0	-125.18	378.10	8.03	-117.15
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)S1	REAL300000536212	0	46	-2.0	-110.49	389.33	7.10	-103.39
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=C3CCCC4)C=C2)CC1	REAL300000536213	1	46	-2.0	-116.66	388.90	9.64	-107.02
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536214	0	42	-2.0	-116.21	357.12	8.09	-108.12
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C2=C1CCCC2	REAL300000536215	0	35	-2.0	-111.48	326.08	6.87	-104.61
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536216	0	43	-2.0	-127.84	362.36	7.03	-120.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C2=C1CCCC2	REAL300000536217	1	39	-2.0	-102.94	335.53	6.22	-96.72
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C2=C1CCCC2	REAL300000536218	0	41	-2.0	-115.57	359.49	8.87	-106.70
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536219	0	45	-2.0	-106.44	371.58	7.21	-99.23
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1OC	REAL300000536221	0	46	-2.0	-119.08	373.10	7.22	-111.86
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C2=C1CCCC2	REAL300000536222	0	41	-2.0	-115.73	350.41	7.73	-108.00
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(C2CC2)=N1	REAL300000536223	0	45	-2.0	-114.55	375.94	7.37	-107.18
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C2=C1CCCC2	REAL300000536225	0	41	-2.0	-121.33	350.07	6.64	-114.69
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=C3CCCC4)C=CC=C21	REAL300000536226	0	43	-2.0	-130.72	365.20	5.83	-124.89
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=C3CCCC4)=C21	REAL300000536227	0	45	-2.0	-115.02	361.58	9.34	-105.68
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=CN=C1N	REAL300000536228	1	42	-2.0	-113.39	348.68	5.14	-108.25
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536229	0	38	-2.0	-110.82	337.95	3.31	-107.51
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)N=CN1	REAL300000536230	0	38	-2.0	-121.38	319.59	5.51	-115.87
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C2=C1CCCC2	REAL300000536232	1	41	-2.0	-111.93	354.37	7.81	-104.12
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(C2CCC2)=N1	REAL300000536233	0	48	-2.0	-114.80	392.17	7.83	-106.97
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C2=C1CCCC2	REAL300000536234	0	35	-2.0	-111.07	326.47	6.97	-104.10
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C2=C1CCCC2	REAL300000536235	0	48	-2.0	-111.56	394.64	8.09	-103.47
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C2=C1CCCC2	REAL300000536236	0	42	-2.0	-117.60	357.39	8.62	-108.98
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536237	1	47	-2.0	-116.01	385.03	9.64	-106.37
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536238	0	44	-2.0	-104.49	375.93	5.84	-98.65
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536239	0	45	-2.0	-110.27	365.32	7.00	-103.27
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536241	0	47	-2.0	-109.70	370.19	7.14	-102.56
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300000536242	0	47	-2.0	-112.09	385.15	7.15	-104.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C2=C1CCCC2	REAL300000536243	0	45	-2.0	-111.97	369.93	6.50	-105.47
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300000536244	1	49	-2.0	-111.04	394.93	8.24	-102.80
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C2=C1CCCC2	REAL300000536245	1	41	-2.0	-114.12	348.63	8.25	-105.87
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536246	0	41	-2.0	-105.91	341.82	5.71	-100.20
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C2=C1CCCC2	REAL300000536249	1	41	-2.0	-112.26	348.48	8.46	-103.80
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1Cl	REAL300000536251	0	39	-2.0	-113.13	353.27	8.29	-104.84
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C2=C1CCCC2	REAL300000536252	1	45	-2.0	-115.86	369.87	9.53	-106.33
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=CS1	REAL300000536253	0	39	-2.0	-118.21	342.91	5.88	-112.33
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C2=C1CCCC2	REAL300000536254	0	45	-2.0	-117.01	375.37	9.61	-107.40
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C2=C1CCCC2	REAL300000536255	0	48	-2.0	-108.30	385.47	8.06	-100.24
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536256	0	47	-2.0	-107.58	380.61	7.33	-100.25
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=C3CCCC4)C2=N1	REAL300000536257	0	43	-2.0	-123.19	364.26	5.79	-117.40
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)O1	REAL300000536258	0	41	-2.0	-112.97	346.73	7.03	-105.94
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C2=C1CCCC2	REAL300000536259	0	38	-2.0	-105.79	344.50	6.66	-99.13
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536260	0	42	-2.0	-110.62	361.60	7.35	-103.27
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536261	1	44	-2.0	-113.67	373.86	8.96	-104.71
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C2=C1CCCC2	REAL300000536262	1	42	-2.0	-113.49	359.90	7.01	-106.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)S1	REAL300000536263	0	39	-2.0	-110.74	344.43	5.89	-104.85
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C2=C1CCCC2	REAL300000536264	0	41	-2.0	-108.98	353.31	6.14	-102.84
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536265	1	48	-2.0	-116.93	397.56	8.12	-108.81
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C2=C1CCCC2	REAL300000536266	1	41	-2.0	-117.55	341.22	8.40	-109.15
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C2=C1CCCC2	REAL300000536267	0	41	-2.0	-117.68	347.63	7.80	-109.88
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C2=C1CCCC2	REAL300000536268	1	40	-2.0	-115.23	351.59	6.83	-108.40
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=N1	REAL300000536269	0	40	-2.0	-111.08	341.51	4.29	-106.79
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1Cl	REAL300000536270	0	41	-2.0	-109.12	362.34	6.36	-102.76
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C2=C1CCCC2	REAL300000536271	0	35	-2.0	-106.94	320.39	6.05	-100.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C2=CC=CC=C12	REAL300000536272	1	47	-2.0	-123.42	379.42	10.28	-113.14
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C2=C1CCCC2	REAL300000536275	0	42	-2.0	-113.99	364.47	8.74	-105.25
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536276	0	38	-2.0	-112.22	325.24	6.10	-106.12
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=NN1	REAL300000536277	0	44	-2.0	-111.06	380.84	5.24	-105.82
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1OC	REAL300000536278	0	43	-2.0	-116.19	373.68	5.44	-110.75
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C2=C1CCCC2	REAL300000536279	0	37	-2.0	-99.52	338.29	6.07	-93.45
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536280	0	44	-2.0	-110.46	364.05	7.43	-103.03
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C4=C3CCCC4)=CC=C21	REAL300000536281	1	45	-2.0	-120.67	374.36	9.21	-111.46
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1Cl	REAL300000536282	0	38	-2.0	-108.81	340.51	5.49	-103.32
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536283	1	44	-2.0	-126.62	357.41	9.23	-117.39
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)OC=C1	REAL300000536284	0	36	-2.0	-114.38	324.81	5.88	-108.50
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536285	1	40	-2.0	-105.28	348.39	6.83	-98.45
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(C2CC2)=N1	REAL300000536286	0	48	-2.0	-114.78	397.46	8.23	-106.55
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C2=C1CCCC2	REAL300000536288	0	35	-2.0	-110.11	319.42	5.94	-104.17
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C2=C1CCCC2	REAL300000536289	0	35	-2.0	-107.65	329.47	6.94	-100.71
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536290	0	46	-2.0	-107.43	372.92	5.17	-102.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C(C)=N1	REAL300000536293	1	44	-2.0	-107.37	363.49	4.88	-102.49
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536294	0	44	-2.0	-117.95	368.05	5.26	-112.69
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536295	0	41	-2.0	-111.95	363.36	5.10	-106.85
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C1C	REAL300000536296	1	44	-2.0	-108.21	367.99	4.85	-103.36
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300000536297	0	47	-2.0	-111.56	388.04	7.54	-104.02
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536298	0	47	-2.0	-112.20	386.07	7.09	-105.11
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=CO1	REAL300000536299	0	36	-2.0	-113.13	323.61	5.84	-107.29
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)SC=C1	REAL300000536300	0	36	-2.0	-117.91	332.70	6.78	-111.13
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536301	0	44	-2.0	-106.95	362.38	6.69	-100.26
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C2=C1CCCC2	REAL300000536302	0	45	-2.0	-107.50	373.43	7.49	-100.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C2=C1CCCC2	REAL300000536303	0	45	-2.0	-111.68	374.38	8.58	-103.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=NN1C(C)C	REAL300000536305	0	47	-2.0	-113.35	385.14	7.19	-106.16
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C2=C1CCCC2	REAL300000536306	0	40	-2.0	-113.57	349.89	6.55	-107.02
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C2=C1CCCC2	REAL300000536308	1	39	-2.0	-114.58	331.67	4.57	-110.01
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C2=C1CCCC2	REAL300000536309	0	41	-2.0	-116.82	358.33	8.36	-108.46
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C2=C1CCCC2	REAL300000536310	0	34	-2.0	-104.49	306.30	5.04	-99.45
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C2=C1CCCC2	REAL300000536311	0	42	-2.0	-123.55	368.53	6.71	-116.84
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C2=C1CCCC2	REAL300000536312	0	43	-2.0	-121.76	361.44	7.03	-114.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C2=NC=CC=C12	REAL300000536313	0	46	-2.0	-130.79	378.38	8.60	-122.19
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C(C(=O)[O-])O1	REAL300000536314	0	43	-3.0	-172.88	369.03	7.92	-164.96
CCC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C(C(=O)[O-])O1	REAL300000536314	1	44	-2.0	-117.61	370.84	7.47	-110.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)C=C(Cl)S1	REAL300000536315	1	38	-2.0	-107.86	345.92	7.83	-100.03
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C2=C1CCCC2	REAL300000536316	0	34	-2.0	-108.85	307.22	4.55	-104.30
O=C([O-])C1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C2=C1CCCC2	REAL300000536317	0	45	-2.0	-114.25	366.37	6.76	-107.49
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C3=C2CCCC3)=C1	REAL300000536318	0	41	-2.0	-118.95	347.56	8.16	-110.79
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1	REAL300000536319	1	36	-2.0	-84.55	346.17	1.93	-82.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=CC=C1F	REAL300000536320	1	29	-2.0	-100.41	294.24	3.37	-97.04
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NSN=C2C=C1	REAL300000536321	0	37	-2.0	-100.63	349.33	4.42	-96.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1	REAL300000536322	1	29	-2.0	-90.86	289.70	3.35	-87.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1	REAL300000536323	1	29	-2.0	-102.58	289.71	3.34	-99.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NSN=C2C=C1	REAL300000536324	0	33	-2.0	-107.06	317.85	3.14	-103.92
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1	REAL300000536325	1	33	-2.0	-90.50	321.16	4.63	-85.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1C(=O)[O-]	REAL300000536326	1	32	-2.0	-105.00	309.78	3.98	-101.02
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1	REAL300000536327	0	29	-2.0	-97.59	302.78	3.91	-93.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=CC=C1Cl	REAL300000536328	1	29	-2.0	-98.50	302.22	3.73	-94.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1C	REAL300000536329	1	35	-2.0	-104.56	322.10	4.65	-99.91
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1	REAL300000536330	0	29	-2.0	-99.09	295.19	3.40	-95.69
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1	REAL300000536331	1	35	-2.0	-89.34	333.27	4.92	-84.42
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1	REAL300000536332	0	26	-2.0	-97.16	282.89	2.36	-94.80
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NSN=C2C=C1	REAL300000536333	1	32	-2.0	-102.82	305.14	4.12	-98.70
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1	REAL300000536334	1	33	-2.0	-89.11	320.78	3.62	-85.49
CN1C=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1C(=O)[O-]	REAL300000536335	0	30	-2.0	-101.16	296.36	2.69	-98.47
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NSN=C2C=C1	REAL300000536336	1	33	-2.0	-103.41	313.92	2.16	-101.25
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1	REAL300000536337	0	29	-2.0	-93.45	298.83	3.01	-90.44
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1C(=O)[O-]	REAL300000536338	1	35	-2.0	-103.83	321.17	4.66	-99.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=CS1	REAL300000536339	0	26	-2.0	-98.55	281.36	2.38	-96.17
COC1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=CC(C(=O)[O-])=C1OC	REAL300000536340	1	37	-2.0	-103.25	348.04	3.15	-100.10
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1C(=O)[O-]	REAL300000536341	1	33	-2.0	-108.42	316.99	3.41	-105.01
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1	REAL300000536342	1	39	-2.0	-106.32	344.95	5.98	-100.34
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NSN=C2C=C1	REAL300000536343	1	38	-2.0	-104.71	343.61	5.36	-99.35
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NSN=C2C=C1	REAL300000536344	1	35	-2.0	-101.09	319.85	5.06	-96.03
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NSN=C2C=C1	REAL300000536345	0	36	-2.0	-108.05	340.14	3.90	-104.15
O=C([O-])C1=CC(S(=O)(=O)NC2=CC3=NSN=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000536346	0	32	-2.0	-109.82	320.67	3.91	-105.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=CC(C(=O)[O-])=C1	REAL300000536346	1	31	-3.0	-177.74	318.11	3.91	-173.83
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1	REAL300000536347	1	36	-2.0	-106.71	333.95	5.24	-101.47
CC1=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C(C(=O)[O-])O1	REAL300000536348	0	29	-2.0	-96.50	292.72	2.48	-94.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=CC2=C1OCCO2	REAL300000536349	1	35	-2.0	-107.37	331.87	3.12	-104.25
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1	REAL300000536350	0	33	-2.0	-103.94	318.69	2.43	-101.51
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC4=NSN=C4C=C3)C=C2C1	REAL300000536351	1	37	-2.0	-89.41	342.63	3.93	-85.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C(Cl)C=C1F	REAL300000536352	0	29	-2.0	-94.71	307.30	3.93	-90.78
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1Cl	REAL300000536353	1	33	-2.0	-87.85	336.81	4.15	-83.70
CC1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=CC=C1OCC(=O)[O-]	REAL300000536354	1	36	-2.0	-89.53	340.86	4.32	-85.21
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NSN=C2C=C1	REAL300000536355	1	32	-2.0	-93.94	310.42	4.17	-89.77
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1F	REAL300000536356	1	33	-2.0	-88.94	327.00	3.68	-85.26
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1C(=O)[O-]	REAL300000536357	1	36	-2.0	-109.04	338.84	4.31	-104.73
CC1=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C(C(=O)[O-])S1	REAL300000536358	0	29	-2.0	-99.52	298.31	3.24	-96.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C(Cl)=C1	REAL300000536359	0	29	-2.0	-88.43	302.76	3.91	-84.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1F	REAL300000536360	1	29	-2.0	-90.62	294.22	3.39	-87.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)S1	REAL300000536361	0	26	-2.0	-92.34	281.98	2.47	-89.87
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1	REAL300000536362	1	29	-2.0	-93.77	296.11	3.40	-90.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1F	REAL300000536363	0	32	-2.0	-100.56	315.47	4.04	-96.52
COC1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000536364	0	33	-2.0	-93.47	330.02	3.97	-89.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C(F)=C1	REAL300000536365	0	29	-2.0	-90.15	295.17	3.42	-86.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1Cl	REAL300000536366	1	29	-2.0	-88.45	302.19	3.75	-84.70
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NSN=C2C=C1	REAL300000536367	1	32	-2.0	-95.43	319.16	4.54	-90.89
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1	REAL300000536368	1	37	-2.0	-87.31	353.45	4.75	-82.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=CC(F)=C1F	REAL300000536369	1	29	-2.0	-92.34	300.53	3.43	-88.91
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1	REAL300000536370	0	31	-2.0	-88.26	317.90	4.01	-84.25
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1	REAL300000536371	0	30	-2.0	-101.56	299.42	1.05	-100.51
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=NSN=C3C=C2)=C1	REAL300000536371	1	30	-2.0	-101.62	288.51	1.94	-99.68
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1	REAL300000536372	1	32	-2.0	-93.56	311.87	4.11	-89.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=CC(Cl)=C1F	REAL300000536373	1	29	-2.0	-93.57	310.41	3.87	-89.70
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=NSN=C2C=C1	REAL300000536374	1	32	-2.0	-99.59	299.78	3.98	-95.61
CC1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=CC(C(=O)[O-])=C1F	REAL300000536375	1	32	-2.0	-101.72	314.54	3.99	-97.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=NSN=C2C=C1	REAL300000536376	1	32	-2.0	-91.11	305.12	4.12	-86.99
CC1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=CC(C(=O)[O-])=C1C	REAL300000536377	1	35	-2.0	-106.86	326.51	4.51	-102.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=CC=C1[N+](=O)[O-]	REAL300000536378	0	31	-2.0	-101.82	316.27	4.43	-97.39
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1	REAL300000536379	0	29	-2.0	-91.24	301.46	3.46	-87.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C(C)=C1C(=O)[O-]	REAL300000536380	1	35	-2.0	-103.77	324.19	4.73	-99.04
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1C(=O)[O-]	REAL300000536381	0	32	-2.0	-101.47	315.02	4.04	-97.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1Cl	REAL300000536382	0	32	-2.0	-99.45	321.47	4.48	-94.97
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=C1	REAL300000536383	0	32	-2.0	-108.01	314.72	4.03	-103.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1C(=O)[O-]	REAL300000536384	1	35	-2.0	-104.28	323.95	4.53	-99.75
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1CC(=O)[O-]	REAL300000536385	1	36	-2.0	-103.63	340.17	3.47	-100.16
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=NSN=C2C=C1	REAL300000536386	1	32	-2.0	-93.81	320.25	4.60	-89.21
CC1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000536387	1	32	-2.0	-100.35	320.93	4.30	-96.05
CCN1C=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1C(=O)[O-]	REAL300000536388	0	33	-2.0	-102.39	317.73	3.56	-98.83
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C(C)=C1CC(=O)[O-]	REAL300000536389	1	41	-2.0	-101.32	354.62	6.19	-95.13
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1C(=O)[O-]	REAL300000536390	1	32	-2.0	-97.28	323.45	4.41	-92.87
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C(C(=O)[O-])S1	REAL300000536391	0	38	-2.0	-99.35	339.17	5.47	-93.88
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1C(=O)[O-]	REAL300000536392	0	33	-2.0	-103.28	330.03	3.98	-99.30
CC1=CC(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)=CC=C1C(=O)[O-]	REAL300000536393	1	32	-2.0	-91.09	305.71	3.89	-87.20
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C([N+](=O)[O-])=C1	REAL300000536394	0	34	-2.0	-96.24	332.97	5.52	-90.72
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NSN=C2C=C1	REAL300000536395	1	32	-2.0	-100.53	309.66	4.15	-96.38
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CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C1C(=O)[O-]	REAL300000536398	1	32	-2.0	-95.53	314.65	4.02	-91.51
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COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=NSN=C2C=C1	REAL300000536401	0	33	-2.0	-94.81	317.91	3.14	-91.67
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CCC1=C(S(=O)(=O)[N-]C2=CC3=NSN=C3C=C2)C=C(C(=O)[O-])O1	REAL300000536405	0	32	-2.0	-96.38	311.84	3.33	-93.05
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COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=N1	REAL300000536409	0	41	-2.0	-121.78	376.22	6.15	-115.63
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CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C1C(=O)[O-]	REAL300000536411	0	40	-2.0	-117.81	368.17	6.97	-110.84
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O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=CC=C1Cl	REAL300000536413	0	37	-2.0	-111.18	360.61	6.72	-104.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=C1C	REAL300000536414	0	43	-2.0	-119.43	380.76	7.70	-111.73
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O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C1	REAL300000536416	0	43	-2.0	-102.15	391.66	7.91	-94.24
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=C1	REAL300000536417	0	34	-2.0	-109.46	341.28	5.35	-104.11
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=N1	REAL300000536418	0	40	-2.0	-117.45	363.53	7.11	-110.34
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C1	REAL300000536419	0	41	-2.0	-101.28	379.16	6.61	-94.67
CN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C1C(=O)[O-]	REAL300000536420	0	38	-2.0	-113.60	354.74	5.67	-107.93
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=N1	REAL300000536421	0	41	-2.0	-117.96	371.88	5.18	-112.78
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=C1	REAL300000536422	0	37	-2.0	-105.42	357.20	6.02	-99.40
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C1C(=O)[O-]	REAL300000536423	0	43	-2.0	-118.72	379.55	7.64	-111.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=CS1	REAL300000536424	0	34	-2.0	-110.91	339.76	5.36	-105.55
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C1C(=O)[O-]	REAL300000536425	0	41	-2.0	-121.20	375.38	6.39	-114.81
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=N1	REAL300000536426	0	43	-2.0	-116.05	378.22	8.06	-107.99
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=C1	REAL300000536427	0	44	-2.0	-121.56	392.36	8.22	-113.34
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C(C(=O)[O-])O1	REAL300000536428	0	37	-2.0	-109.61	351.10	5.47	-104.14
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=C1	REAL300000536429	0	41	-2.0	-115.22	377.02	5.43	-109.79
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=N1	REAL300000536430	0	40	-2.0	-107.58	368.80	7.14	-100.44
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C(C(=O)[O-])S1	REAL300000536431	0	37	-2.0	-113.36	357.79	6.22	-107.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C(Cl)=C1	REAL300000536432	0	37	-2.0	-100.16	361.15	6.89	-93.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C1F	REAL300000536433	0	37	-2.0	-101.96	352.63	6.36	-95.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)S1	REAL300000536434	0	34	-2.0	-104.25	340.35	5.46	-98.79
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=C1	REAL300000536435	0	37	-2.0	-106.07	354.50	6.39	-99.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=C1F	REAL300000536436	0	40	-2.0	-114.61	373.85	7.03	-107.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C(F)=C1	REAL300000536437	0	37	-2.0	-101.83	353.56	6.40	-95.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C1Cl	REAL300000536438	0	37	-2.0	-100.20	360.60	6.73	-93.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=CC(F)=C1F	REAL300000536439	0	37	-2.0	-104.09	358.92	6.42	-97.67
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=C1	REAL300000536440	0	38	-2.0	-116.66	357.81	4.06	-112.60
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C1	REAL300000536441	0	40	-2.0	-106.97	370.26	7.11	-99.86
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=N1	REAL300000536442	0	40	-2.0	-110.82	358.17	6.96	-103.86
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=CC(C(=O)[O-])=C1F	REAL300000536443	0	40	-2.0	-114.09	372.93	6.97	-107.12
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=N1	REAL300000536444	0	40	-2.0	-103.13	363.51	7.10	-96.03
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=CC(C(=O)[O-])=C1C	REAL300000536445	0	43	-2.0	-118.36	381.56	7.41	-110.95
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=C1	REAL300000536446	0	37	-2.0	-104.56	359.85	6.45	-98.11
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C(C)=C1C(=O)[O-]	REAL300000536447	0	43	-2.0	-114.92	382.58	7.72	-107.20
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C1C(=O)[O-]	REAL300000536448	0	40	-2.0	-115.54	373.41	7.02	-108.52
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=C1	REAL300000536449	0	40	-2.0	-119.12	373.13	7.02	-112.10
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C1C(=O)[O-]	REAL300000536450	0	43	-2.0	-117.24	382.03	7.51	-109.73
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C1C(=O)[O-]	REAL300000536451	0	41	-2.0	-114.89	376.05	6.53	-108.36
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=CC=C1C(=O)[O-]	REAL300000536452	0	40	-2.0	-102.70	364.10	6.87	-95.83
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=N1	REAL300000536453	0	40	-2.0	-114.97	367.63	7.18	-107.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=C1F	REAL300000536454	0	37	-2.0	-118.39	351.73	6.35	-112.04
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C1C(=O)[O-]	REAL300000536455	0	40	-2.0	-106.85	369.27	6.90	-99.95
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=C1	REAL300000536456	0	36	-2.0	-112.92	344.32	4.45	-108.47
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2=CC=CC=C2)N=N1	REAL300000536457	0	41	-2.0	-107.06	376.30	6.14	-100.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)=C(Cl)O1	REAL300000536458	0	34	-2.0	-103.05	348.20	5.30	-97.75
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(CC4=CC=CC=C4)N=N3)C=C2)CC1	REAL300000536459	0	44	-2.0	-109.81	394.22	8.21	-101.60
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(CC4=CC=CC=C4)N=N3)C=C2C1	REAL300000536460	0	44	-2.0	-111.97	393.54	8.21	-103.76
CCC1=C(S(=O)(=O)[N-]C2=CN(CC3=CC=CC=C3)N=N2)C=C(C(=O)[O-])O1	REAL300000536461	0	40	-2.0	-109.73	370.22	6.33	-103.40
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O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)C=C1	REAL300000536463	0	34	-2.0	-106.94	324.61	4.24	-102.70
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)=C1	REAL300000536464	0	34	-2.0	-120.00	324.63	4.24	-115.76
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=N2)=C1	REAL300000536465	0	38	-2.0	-125.41	352.77	4.04	-121.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C2=CC=CC=N2)=NN1	REAL300000536465	1	38	-2.0	-113.67	353.26	4.05	-109.62
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)C=C1	REAL300000536466	0	38	-2.0	-106.37	356.08	5.52	-100.85
CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000536467	0	37	-2.0	-121.25	340.65	4.76	-116.49
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O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)=CC=C1Cl	REAL300000536469	0	34	-2.0	-115.66	337.14	4.62	-111.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)=C1C	REAL300000536470	0	40	-2.0	-122.36	357.74	5.58	-116.78
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)=C1	REAL300000536471	0	34	-2.0	-117.02	330.11	4.29	-112.73
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)C=C1	REAL300000536472	0	40	-2.0	-105.72	368.19	5.82	-99.90
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)=C1	REAL300000536473	0	31	-2.0	-113.81	317.81	3.25	-110.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=N2)=C1	REAL300000536474	0	37	-2.0	-120.55	340.06	5.01	-115.54
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)C=C1	REAL300000536475	0	38	-2.0	-105.08	355.70	4.51	-100.57
CN1C=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000536476	0	35	-2.0	-118.25	331.28	3.58	-114.67
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=N2)=C1	REAL300000536477	0	38	-2.0	-120.93	348.84	3.05	-117.88
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)=C1	REAL300000536478	0	34	-2.0	-109.83	333.74	3.91	-105.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000536479	0	40	-2.0	-121.85	356.07	5.55	-116.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)=CS1	REAL300000536480	0	31	-2.0	-115.41	316.28	3.25	-112.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=CC=CC=N3)=NN2)=CS1	REAL300000536480	1	31	-2.0	-104.88	316.77	3.27	-101.61
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)C=C1C(=O)[O-]	REAL300000536481	0	38	-2.0	-125.83	351.92	4.30	-121.53
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NNC(C3=CC=CC=N3)=C2)=C1	REAL300000536482	0	44	-2.0	-124.44	379.87	6.86	-117.58
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C2=CC=CC=N2)=C1	REAL300000536483	0	43	-2.0	-122.93	378.53	6.24	-116.69
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C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300000536569	0	32	-3.0	-182.92	327.37	4.65	-178.27
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300000536570	0	37	-2.0	-114.79	343.20	5.98	-108.81
C#CCN1C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=N1	REAL300000536571	0	30	-2.0	-103.74	301.96	3.23	-100.51
C#CCN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300000536572	0	36	-2.0	-113.89	341.12	3.87	-110.02
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=N1	REAL300000536573	0	34	-2.0	-109.56	327.87	3.18	-106.38
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=N1	REAL300000536574	0	38	-2.0	-96.83	352.59	4.69	-92.14
C#CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000536575	0	30	-2.0	-98.99	326.63	4.93	-94.06
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300000536576	0	30	-2.0	-102.16	316.54	4.68	-97.48
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000536577	0	34	-2.0	-94.09	346.06	4.90	-89.19
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=N1	REAL300000536578	0	37	-2.0	-95.91	350.11	5.06	-90.85
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C=N1	REAL300000536579	0	40	-2.0	-94.87	378.71	5.33	-89.54
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=N1	REAL300000536580	0	33	-2.0	-101.19	319.66	4.90	-96.29
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)C=N1	REAL300000536581	0	43	-2.0	-96.14	392.56	5.99	-90.15
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300000536582	0	34	-2.0	-94.99	336.26	4.42	-90.57
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)C=N1	REAL300000536583	0	40	-2.0	-94.55	388.51	5.81	-88.74
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)C=N1	REAL300000536584	0	37	-2.0	-115.85	348.09	5.06	-110.79
C#CCN1C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=N1	REAL300000536585	0	30	-2.0	-106.96	308.65	3.97	-102.99
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=N1	REAL300000536586	0	30	-2.0	-99.05	327.17	5.10	-93.95
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000536587	0	30	-2.0	-94.64	312.00	4.64	-90.00
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C=N1	REAL300000536588	0	30	-2.0	-94.18	315.35	4.78	-89.40
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300000536589	0	30	-2.0	-96.53	303.48	4.12	-92.41
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300000536590	0	27	-2.0	-98.47	291.21	3.20	-95.27
C#CCN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300000536591	0	30	-2.0	-100.13	305.36	4.15	-95.98
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=N1	REAL300000536592	0	33	-2.0	-108.07	324.71	4.79	-103.28
C#CCN1C=C([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)C=N1	REAL300000536593	0	34	-2.0	-99.25	339.26	4.70	-94.55
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300000536594	0	30	-2.0	-96.22	304.41	4.15	-92.07
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300000536595	0	30	-2.0	-94.59	311.45	4.48	-90.11
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=N1	REAL300000536596	0	33	-2.0	-102.97	328.39	5.29	-97.68
C#CCN1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)C=N1	REAL300000536597	0	33	-2.0	-98.89	329.78	5.36	-93.53
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300000536598	0	38	-2.0	-93.71	362.70	5.48	-88.23
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C=N1	REAL300000536599	0	30	-2.0	-94.16	315.19	4.57	-89.59
C#CCN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000536600	0	30	-2.0	-98.33	309.78	4.17	-94.16
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300000536601	0	32	-2.0	-94.31	327.14	4.74	-89.57
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300000536602	0	31	-2.0	-109.90	308.67	1.80	-108.10
C#CCN1C=C([N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000536603	0	33	-2.0	-104.28	336.79	5.25	-99.03
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300000536604	0	33	-2.0	-100.66	321.13	4.86	-95.80
C#CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000536605	0	30	-2.0	-99.79	319.66	4.60	-95.19
C#CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300000536606	0	33	-2.0	-104.95	309.02	4.70	-100.25
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)C=N1	REAL300000536607	0	33	-2.0	-103.52	332.42	5.37	-98.15
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300000536608	0	33	-2.0	-108.03	323.78	4.73	-103.30
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300000536609	0	33	-2.0	-97.39	314.36	4.86	-92.53
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000536610	0	36	-2.0	-113.56	335.75	5.24	-108.32
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300000536611	0	32	-2.0	-107.53	325.53	5.17	-102.36
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300000536612	0	30	-2.0	-98.31	310.71	4.21	-94.10
C#CCN1C=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C=N1	REAL300000536613	0	27	-2.0	-96.31	311.53	3.77	-92.54
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300000536614	0	36	-2.0	-109.41	332.34	5.49	-103.92
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=N1	REAL300000536615	0	33	-2.0	-108.96	324.27	4.78	-104.18
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=N1	REAL300000536616	0	33	-2.0	-107.05	330.71	5.21	-101.84
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=N1	REAL300000536617	0	33	-2.0	-113.28	323.99	4.77	-108.51
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=N1	REAL300000536618	0	36	-2.0	-111.18	332.92	5.26	-105.92
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=N1	REAL300000536619	0	37	-2.0	-110.89	349.43	4.21	-106.68
C#CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=N1	REAL300000536620	0	33	-2.0	-98.51	325.21	5.26	-93.25
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=N1	REAL300000536621	0	33	-2.0	-93.70	329.08	4.88	-88.82
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300000536622	0	33	-2.0	-106.78	330.17	5.04	-101.74
C#CCN1C=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300000536623	0	30	-2.0	-101.95	320.24	4.69	-97.26
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Br)C=N1	REAL300000536624	0	33	-2.0	-106.69	333.53	5.35	-101.34
C#CCN1C=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=N1	REAL300000536625	0	34	-2.0	-108.82	326.97	4.30	-104.52
C#CCN1C=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=N1	REAL300000536626	0	42	-2.0	-108.85	364.10	6.95	-101.90
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=N1	REAL300000536627	0	30	-2.0	-97.14	324.56	4.64	-92.50
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C=N1	REAL300000536628	0	34	-2.0	-95.94	343.65	4.38	-91.56
C#CCN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000536629	0	33	-2.0	-103.72	332.69	5.15	-98.57
C#CCN1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300000536630	0	39	-2.0	-106.75	348.42	6.21	-100.54
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)C=N1	REAL300000536631	0	34	-2.0	-110.90	339.28	4.71	-106.19
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300000536632	0	33	-2.0	-97.10	314.96	4.62	-92.48
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300000536633	0	35	-2.0	-101.28	342.22	6.27	-95.01
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=N1	REAL300000536634	0	33	-2.0	-108.42	318.49	4.91	-103.51
C#CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300000536635	0	32	-2.0	-115.52	322.69	5.93	-109.59
C#CCN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300000536636	0	30	-2.0	-112.52	302.61	4.11	-108.41
C#CCN1C=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300000536637	0	33	-2.0	-101.86	323.89	4.76	-97.10
C#CCN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300000536638	0	36	-2.0	-117.34	340.00	6.20	-111.14
C#CCN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300000536639	0	29	-2.0	-106.51	295.17	2.21	-104.30
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=N1	REAL300000536640	0	34	-2.0	-101.22	327.15	3.88	-97.34
C#CCN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300000536641	0	27	-2.0	-97.24	299.10	3.06	-94.18
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300000536642	0	34	-2.0	-104.39	342.74	4.63	-99.76
C#CCN1C=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)C=N1	REAL300000536643	0	33	-2.0	-100.23	342.30	1.11	-99.12
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300000536644	0	37	-2.0	-103.77	345.08	5.96	-97.81
C#CCN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300000536645	0	37	-2.0	-106.05	344.39	5.96	-100.09
C#CCN1C=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=N1	REAL300000536646	0	33	-2.0	-103.69	321.09	4.08	-99.61
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000536647	0	39	-2.0	-86.39	361.54	3.11	-83.28
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000536648	0	32	-2.0	-101.75	309.61	4.55	-97.20
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OC	REAL300000536649	0	40	-2.0	-103.11	364.68	5.60	-97.51
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000536650	0	32	-2.0	-92.61	305.05	4.52	-88.09
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000536651	0	32	-2.0	-104.07	305.08	4.52	-99.55
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OC	REAL300000536652	0	36	-2.0	-109.86	333.20	4.31	-105.55
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000536653	0	36	-2.0	-92.23	336.53	5.80	-86.43
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000536654	0	35	-2.0	-105.21	321.08	5.05	-100.16
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000536655	0	32	-2.0	-100.13	318.14	5.09	-95.04
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000536656	0	32	-2.0	-100.11	317.59	4.91	-95.20
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000536657	0	32	-2.0	-95.88	330.63	5.47	-90.41
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000536658	0	38	-2.0	-107.63	337.73	5.85	-101.78
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000536659	0	32	-2.0	-101.80	310.53	4.57	-97.23
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000536660	0	38	-2.0	-91.52	348.65	6.10	-85.42
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000536661	0	29	-2.0	-99.70	298.25	3.53	-96.17
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000536662	0	35	-2.0	-105.49	320.50	5.29	-100.20
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000536663	0	36	-2.0	-90.83	336.15	4.79	-86.04
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000536664	0	33	-2.0	-103.58	311.72	3.86	-99.72
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000536665	0	36	-2.0	-106.20	328.85	3.36	-102.84
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000536666	0	32	-2.0	-95.19	314.18	4.19	-91.00
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000536667	0	38	-2.0	-106.71	336.53	5.83	-100.88
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000536668	0	29	-2.0	-101.12	296.73	3.55	-97.57
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC)=CC(C(=O)[O-])=C1OC	REAL300000536669	0	40	-2.0	-105.65	363.40	4.33	-101.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC)C=C1C(=O)[O-]	REAL300000536670	0	36	-2.0	-111.26	332.36	4.59	-106.67
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000536671	0	42	-2.0	-109.31	360.30	7.15	-102.16
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000536672	0	41	-2.0	-107.50	358.93	6.52	-100.98
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OC	REAL300000536673	0	38	-2.0	-103.71	327.55	6.01	-97.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OC	REAL300000536674	0	39	-2.0	-110.86	355.49	5.08	-105.78
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000536675	0	34	-3.0	-179.74	333.47	5.08	-174.66
COC1=C(F)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000536675	1	35	-2.0	-104.39	333.44	5.03	-99.36
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000536676	0	39	-2.0	-108.32	349.32	6.41	-101.91
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000536677	0	32	-2.0	-97.98	308.07	3.65	-94.33
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000536678	0	38	-2.0	-110.12	347.23	4.29	-105.83
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000536679	0	36	-2.0	-105.58	333.98	3.61	-101.97
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000536680	0	40	-2.0	-90.85	358.00	5.11	-85.74
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000536681	0	32	-2.0	-95.00	332.75	5.37	-89.63
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000536682	0	32	-2.0	-97.07	322.66	5.12	-91.95
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000536683	0	36	-2.0	-89.36	352.16	5.34	-84.02
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000536684	0	39	-2.0	-91.23	356.23	5.51	-85.72
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000536685	0	35	-2.0	-96.26	325.78	5.32	-90.94
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000536686	0	45	-2.0	-91.33	398.68	6.44	-84.89
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000536687	0	36	-2.0	-90.39	342.36	4.87	-85.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC)C=C1C(=O)[O-]	REAL300000536688	0	39	-2.0	-110.56	354.22	5.49	-105.07
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000536689	0	32	-2.0	-101.94	314.76	4.39	-97.55
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000536690	0	32	-2.0	-93.46	333.30	5.54	-87.92
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000536691	0	32	-2.0	-90.20	318.12	5.09	-85.11
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000536692	0	32	-2.0	-92.16	309.58	4.56	-87.60
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000536693	0	29	-2.0	-94.17	297.33	3.64	-90.53
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000536694	0	32	-2.0	-95.30	311.49	4.58	-90.72
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000536695	0	35	-2.0	-102.51	330.82	5.22	-97.29
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC)=C(Cl)C=C1C(=O)[O-]	REAL300000536696	0	36	-2.0	-94.73	345.37	5.15	-89.58
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000536697	0	32	-2.0	-92.21	310.53	4.59	-87.62
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000536698	0	32	-2.0	-90.18	317.55	4.92	-85.26
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000536699	0	35	-2.0	-97.88	334.51	5.72	-92.16
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000536700	0	40	-2.0	-89.06	368.81	5.92	-83.14
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000536701	0	32	-2.0	-94.56	315.89	4.61	-89.95
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000536702	0	34	-2.0	-90.43	333.26	5.19	-85.24
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000536703	0	33	-2.0	-102.93	314.78	2.23	-100.70
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000536704	0	35	-2.0	-97.16	327.25	5.29	-91.87
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000536705	0	32	-2.0	-95.96	325.78	5.05	-90.91
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000536706	0	35	-2.0	-101.77	315.11	5.15	-96.62
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000536707	0	35	-2.0	-103.10	329.90	5.17	-97.93
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000536708	0	35	-2.0	-92.48	320.48	5.30	-87.18
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000536709	0	38	-2.0	-108.23	338.53	5.60	-102.63
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000536710	0	34	-2.0	-104.07	331.62	5.61	-98.46
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000536711	0	32	-2.0	-93.22	316.80	4.64	-88.58
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000536712	0	38	-2.0	-105.06	338.60	5.92	-99.14
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000536713	0	35	-2.0	-104.01	330.39	5.21	-98.80
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000536714	0	35	-2.0	-101.04	336.85	5.66	-95.38
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000536715	0	35	-2.0	-109.32	330.10	5.21	-104.11
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC)C=C1C(=O)[O-]	REAL300000536716	0	38	-2.0	-105.86	339.39	5.71	-100.15
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC)C=C1CC(=O)[O-]	REAL300000536717	0	39	-2.0	-105.52	355.54	4.65	-100.87
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000536718	0	35	-2.0	-94.06	331.33	5.70	-88.36
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000536719	0	35	-2.0	-89.17	335.18	5.33	-83.84
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000536720	0	35	-2.0	-101.85	336.29	5.48	-96.37
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC)C=C1C(=O)[O-]	REAL300000536721	0	36	-2.0	-103.90	333.02	4.72	-99.18
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000536722	0	44	-2.0	-104.88	370.22	7.39	-97.49
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000536723	0	32	-2.0	-92.47	330.68	5.07	-87.40
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000536724	0	35	-2.0	-98.60	334.94	5.48	-93.12
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000536725	0	41	-2.0	-101.85	348.80	6.48	-95.37
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC)C=C1C(=O)[O-]	REAL300000536726	0	36	-2.0	-104.83	345.39	5.15	-99.68
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000536727	0	35	-2.0	-92.79	321.07	5.06	-87.73
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000536728	0	37	-2.0	-95.85	345.79	6.68	-89.17
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000536729	0	35	-2.0	-103.41	324.60	5.36	-98.05
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000536730	0	34	-2.0	-110.79	327.16	6.30	-104.49
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000536731	0	32	-2.0	-108.51	308.70	4.54	-103.97
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000536732	0	35	-2.0	-96.95	326.24	5.09	-91.86
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000536733	0	38	-2.0	-112.29	346.11	6.64	-105.65
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000536734	0	31	-2.0	-101.29	302.05	2.58	-98.71
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OC	REAL300000536735	0	36	-2.0	-96.49	333.27	4.31	-92.18
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000536736	0	29	-2.0	-92.50	305.17	3.48	-89.02
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000536737	0	39	-2.0	-99.24	349.66	6.35	-92.89
COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000536738	0	39	-2.0	-94.23	350.15	6.39	-87.84
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC)C=C(C(=O)[O-])O1	REAL300000536739	0	35	-2.0	-97.47	327.19	4.50	-92.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)=CC=C1F	REAL300000536740	1	35	-2.0	-107.21	327.32	5.01	-102.20
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CNN=C2)C=C1	REAL300000536741	0	43	-2.0	-110.03	382.40	6.06	-103.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)C=C1	REAL300000536742	1	35	-2.0	-97.31	322.77	4.99	-92.32
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)=C1	REAL300000536743	1	35	-2.0	-109.78	322.79	4.98	-104.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CNN=C2)C=C1	REAL300000536744	0	39	-2.0	-117.28	350.92	4.77	-112.51
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)C=C1	REAL300000536745	1	39	-2.0	-96.79	354.23	6.27	-90.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)C=C1C(=O)[O-]	REAL300000536746	1	38	-2.0	-112.28	342.87	5.62	-106.66
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)=C1	REAL300000536747	0	35	-2.0	-107.20	335.85	5.55	-101.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)=CC=C1Cl	REAL300000536748	1	35	-2.0	-105.59	335.29	5.37	-100.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)=C1C	REAL300000536749	1	41	-2.0	-114.64	355.18	6.29	-108.35
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)=C1	REAL300000536750	0	35	-2.0	-108.92	328.26	5.04	-103.88
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)C=C1	REAL300000536751	1	41	-2.0	-96.04	366.35	6.57	-89.47
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)=C1	REAL300000536752	0	32	-2.0	-105.65	315.97	3.99	-101.66
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CNN=C2)C=C1	REAL300000536753	1	38	-2.0	-112.79	338.21	5.76	-107.03
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)C=C1C(=O)[O-]	REAL300000536755	0	36	-2.0	-108.18	329.44	4.32	-103.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)=C1	REAL300000536757	0	35	-2.0	-100.21	331.92	4.65	-95.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)=CS1	REAL300000536759	0	32	-2.0	-105.44	314.43	4.01	-101.43
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=CNN=C3)C=C2)=C1	REAL300000536761	1	45	-2.0	-114.43	378.01	7.61	-106.82
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CNN=C2)C=C1	REAL300000536762	1	44	-2.0	-112.78	376.68	7.00	-105.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CNN=C2)C=C1	REAL300000536763	1	41	-2.0	-111.09	352.93	6.71	-104.38
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CNN=C2)C=C1	REAL300000536764	0	42	-2.0	-117.21	373.21	5.54	-111.67
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CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)=C1F	REAL300000536868	0	38	-2.0	-107.52	342.16	3.98	-103.54
COC1=CC(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000536869	0	39	-2.0	-98.47	356.70	3.91	-94.56
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000536870	0	35	-2.0	-96.02	323.87	3.26	-92.76
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000536871	1	35	-2.0	-93.80	328.87	3.69	-90.11
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC([C@H](C)O)=C1	REAL300000536872	1	38	-2.0	-102.18	347.85	4.38	-97.80
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000536873	1	43	-2.0	-92.65	380.13	4.69	-87.96
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000536874	1	35	-2.0	-98.01	327.21	3.38	-94.63
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000536875	0	37	-2.0	-93.64	344.57	3.96	-89.68
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000536876	0	36	-2.0	-108.45	326.10	0.99	-107.46
C[C@H](O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000536876	1	36	-2.0	-105.50	315.11	1.89	-103.61
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000536877	1	38	-2.0	-100.04	338.57	4.06	-95.98
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000536878	1	35	-2.0	-99.61	339.11	3.72	-95.89
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC([C@H](C)O)=C1	REAL300000536879	1	38	-2.0	-105.40	326.46	3.93	-101.47
CC1=CC(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)=CC(C(=O)[O-])=C1F	REAL300000536880	1	38	-2.0	-107.39	341.22	3.94	-103.45
CC1=CC(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)=CC(C(=O)[O-])=C1C	REAL300000536882	1	41	-2.0	-113.83	353.19	4.46	-109.37
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000536883	0	37	-2.0	-107.40	344.97	4.28	-103.12
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000536884	0	35	-2.0	-97.67	328.14	3.42	-94.25
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)C=C1C(=O)[O-]	REAL300000536886	0	38	-2.0	-107.30	337.86	3.89	-103.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)=C1Cl	REAL300000536887	0	38	-2.0	-106.60	350.15	4.33	-102.27
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)=C1	REAL300000536888	0	38	-2.0	-114.31	341.42	3.97	-110.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)C=C1C(=O)[O-]	REAL300000536889	1	41	-2.0	-111.30	350.63	4.48	-106.82
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC([C@H](C)O)=C1	REAL300000536891	1	38	-2.0	-98.53	342.65	4.46	-94.07
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000536892	1	38	-2.0	-92.94	348.52	4.00	-88.94
CC1=CC(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000536893	1	38	-2.0	-106.49	349.63	4.14	-102.35
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)C=C1C(=O)[O-]	REAL300000536894	0	39	-2.0	-108.47	344.41	3.50	-104.97
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000536896	0	35	-2.0	-96.27	341.99	3.85	-92.42
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)C=C1C(=O)[O-]	REAL300000536897	1	38	-2.0	-103.72	350.13	4.36	-99.36
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000536898	0	44	-2.0	-105.41	365.85	5.41	-100.00
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)C=C1C(=O)[O-]	REAL300000536899	0	39	-2.0	-109.74	356.71	3.92	-105.82
CC1=CC(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)=CC=C1C(=O)[O-]	REAL300000536900	1	38	-2.0	-96.55	332.39	3.82	-92.73
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000536901	0	40	-2.0	-101.90	359.65	5.48	-96.42
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000536903	0	37	-2.0	-116.71	340.11	5.14	-111.57
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000536904	0	35	-2.0	-113.52	320.05	3.33	-110.19
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)C=C1C(=O)[O-]	REAL300000536905	1	38	-2.0	-101.81	341.32	3.97	-97.84
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000536906	1	41	-2.0	-117.75	357.42	5.41	-112.34
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000536907	0	34	-2.0	-106.04	313.38	1.33	-104.71
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC([C@H](C)O)=C1	REAL300000536908	0	39	-2.0	-100.89	346.61	2.99	-97.90
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000536909	0	32	-2.0	-96.37	316.53	2.27	-94.10
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000536910	1	42	-2.0	-102.85	362.50	5.18	-97.67
C[C@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000536911	1	42	-2.0	-106.64	363.85	5.08	-101.56
CCC1=C(S(=O)(=O)[N-]C2=CC=CC([C@H](C)O)=C2)C=C(C(=O)[O-])O1	REAL300000536912	0	38	-2.0	-102.31	338.52	3.27	-99.04
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CN=C1S(C)(=O)=O	REAL300000536913	0	36	-2.0	-109.71	340.67	1.37	-108.34
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CN=C1S(C)(=O)=O	REAL300000536914	0	36	-2.0	-102.67	335.14	1.31	-101.36
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CN=C1S(C)(=O)=O	REAL300000536915	0	36	-2.0	-113.48	337.60	1.46	-112.02
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CN=C1S(C)(=O)=O	REAL300000536916	0	40	-2.0	-99.78	369.05	2.75	-97.03
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(S(C)(=O)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000536917	0	39	-2.0	-115.54	352.07	1.86	-113.68
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CN=C1S(C)(=O)=O	REAL300000536918	0	42	-2.0	-117.75	367.81	2.65	-115.10
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CN=C1S(C)(=O)=O	REAL300000536919	0	36	-2.0	-112.14	340.64	1.36	-110.78
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CN=C1S(C)(=O)=O	REAL300000536920	0	42	-2.0	-99.22	381.16	3.04	-96.18
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CN=C1S(C)(=O)=O	REAL300000536921	0	33	-2.0	-108.56	328.34	0.33	-108.23
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(S(C)(=O)=O)C(C)=C1	REAL300000536922	0	39	-2.0	-114.91	353.03	2.24	-112.67
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CN=C1S(C)(=O)=O	REAL300000536923	0	37	-2.0	-112.54	341.78	0.66	-111.88
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(S(C)(=O)=O)C(C)=C2)=C1	REAL300000536924	0	36	-2.0	-102.31	346.71	1.13	-101.18
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(S(C)(=O)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000536925	0	42	-2.0	-117.73	364.82	2.57	-115.16
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CN=C1S(C)(=O)=O	REAL300000536926	0	33	-2.0	-108.95	329.25	0.49	-108.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(S(C)(=O)=O)C(C)=C1	REAL300000536927	0	42	-2.0	-113.66	367.73	3.18	-110.48
CC1=C(S(=O)(=O)[N-]C2=CN=C(S(C)(=O)=O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000536928	0	36	-2.0	-107.38	340.60	0.60	-106.78
CC1=C(S(=O)(=O)[N-]C2=CN=C(S(C)(=O)=O)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000536929	0	36	-2.0	-111.13	346.20	1.35	-109.78
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CN=C1S(C)(=O)=O	REAL300000536930	0	36	-2.0	-100.28	340.65	1.39	-98.89
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CN=C1S(C)(=O)=O	REAL300000536931	0	33	-2.0	-101.33	329.87	0.58	-100.75
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CN=C1S(C)(=O)=O	REAL300000536932	0	36	-2.0	-104.00	344.00	1.52	-102.48
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CN=C1S(C)(=O)=O	REAL300000536933	0	36	-2.0	-99.06	343.06	1.53	-97.53
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CN=C1S(C)(=O)=O	REAL300000536934	0	37	-2.0	-113.85	347.31	-0.83	-114.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CN=C1S(C)(=O)=O	REAL300000536935	0	39	-2.0	-103.82	359.77	2.23	-101.59
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CN=C1S(C)(=O)=O	REAL300000536936	0	39	-2.0	-107.33	347.67	2.08	-105.25
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(S(C)(=O)=O)C(C)=C1	REAL300000536937	0	39	-2.0	-100.57	353.01	2.23	-98.34
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CN=C1S(C)(=O)=O	REAL300000536938	0	42	-2.0	-117.03	370.20	2.48	-114.55
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(S(C)(=O)=O)C(C)=C2)C(C)=C1C(=O)[O-]	REAL300000536939	0	42	-2.0	-111.55	372.08	2.85	-108.70
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(S(C)(=O)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000536940	0	42	-2.0	-114.00	370.19	2.52	-111.48
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(S(C)(=O)=O)C(C)=C2)C=C1C(=O)[O-]	REAL300000536941	0	40	-2.0	-113.67	363.16	1.53	-112.14
CC1=CC(S(=O)(=O)[N-]C2=CN=C(S(C)(=O)=O)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000536942	0	39	-2.0	-100.06	353.60	2.00	-98.06
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CN=C1S(C)(=O)=O	REAL300000536943	0	36	-2.0	-114.70	341.21	1.48	-113.22
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CN=C1S(C)(=O)=O	REAL300000536944	0	35	-2.0	-110.52	333.82	-0.42	-110.94
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CN=C1S(C)(=O)=O	REAL300000536945	0	33	-2.0	-102.56	335.30	0.28	-102.28
CCC1=C(S(=O)(=O)[N-]C2=CN=C(S(C)(=O)=O)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000536946	0	39	-2.0	-107.39	359.73	1.45	-105.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=CC=C1F	REAL300000536947	0	41	-2.0	-106.71	358.07	5.99	-100.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1	REAL300000536948	0	41	-2.0	-96.67	353.52	5.96	-90.71
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1	REAL300000536949	0	41	-2.0	-109.22	353.54	5.95	-103.27
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCCC2)N=C1	REAL300000536950	0	45	-2.0	-115.10	381.67	5.77	-109.33
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1	REAL300000536951	0	45	-2.0	-96.31	384.98	7.26	-89.05
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1C(=O)[O-]	REAL300000536952	0	44	-2.0	-111.62	373.60	6.60	-105.02
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1	REAL300000536953	0	41	-2.0	-105.20	366.60	6.53	-98.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=CC=C1Cl	REAL300000536954	0	41	-2.0	-105.10	366.04	6.35	-98.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1C	REAL300000536955	0	47	-2.0	-112.52	385.94	7.28	-105.24
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1	REAL300000536956	0	41	-2.0	-106.59	359.01	6.02	-100.57
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1	REAL300000536957	0	47	-2.0	-95.66	397.10	7.54	-88.12
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1	REAL300000536958	0	38	-2.0	-103.43	346.72	4.99	-98.44
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCCC2)N=C1	REAL300000536959	0	44	-2.0	-110.66	368.96	6.75	-103.91
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1	REAL300000536960	0	45	-2.0	-95.06	384.60	6.24	-88.82
CN1C=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1C(=O)[O-]	REAL300000536961	0	42	-2.0	-107.68	360.17	5.32	-102.36
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCCC2)N=C1	REAL300000536962	0	45	-2.0	-111.02	377.74	4.77	-106.25
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1	REAL300000536963	0	41	-2.0	-99.39	362.65	5.64	-93.75
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1C(=O)[O-]	REAL300000536964	0	47	-2.0	-111.86	385.00	7.27	-104.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=CS1	REAL300000536965	0	38	-2.0	-104.81	345.18	5.00	-99.81
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1C(=O)[O-]	REAL300000536966	0	45	-2.0	-115.09	380.81	6.04	-109.05
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCCC2)N=C1	REAL300000536967	0	50	-2.0	-112.75	407.43	7.97	-104.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCCC2)N=C1	REAL300000536968	0	47	-2.0	-109.10	383.68	7.67	-101.43
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCCC2)N=C1	REAL300000536969	0	48	-2.0	-115.20	403.96	6.53	-108.67
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1	REAL300000536970	0	43	-3.0	-183.65	381.95	6.53	-177.12
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1	REAL300000536971	0	48	-2.0	-114.79	397.78	7.86	-106.93
CC1=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000536972	0	41	-2.0	-103.37	356.54	5.11	-98.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1	REAL300000536973	0	45	-2.0	-110.05	382.52	5.06	-104.99
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=CC=C1OCC(=O)[O-]	REAL300000536974	0	48	-2.0	-95.46	404.69	6.95	-88.51
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCCC2)N=C1	REAL300000536975	0	44	-2.0	-101.00	374.25	6.78	-94.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1F	REAL300000536976	0	45	-2.0	-94.48	390.83	6.30	-88.18
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1C(=O)[O-]	REAL300000536977	0	48	-2.0	-115.57	402.67	6.94	-108.63
CC1=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C(C(=O)[O-])S1	REAL300000536978	0	41	-2.0	-106.94	362.13	5.86	-101.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C(Cl)=C1	REAL300000536979	0	41	-2.0	-94.29	366.59	6.53	-87.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1F	REAL300000536980	0	41	-2.0	-96.18	358.06	6.00	-90.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)S1	REAL300000536981	0	38	-2.0	-98.19	345.80	5.08	-93.11
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1	REAL300000536982	0	41	-2.0	-99.97	359.94	6.02	-93.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1F	REAL300000536983	0	44	-2.0	-108.00	379.29	6.66	-101.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C(F)=C1	REAL300000536984	0	41	-2.0	-95.91	359.00	6.04	-89.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1Cl	REAL300000536985	0	41	-2.0	-94.31	366.02	6.37	-87.94
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCCC2)N=C1	REAL300000536986	0	44	-2.0	-102.84	382.98	7.17	-95.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=CC(F)=C1F	REAL300000536987	0	41	-2.0	-98.11	364.35	6.06	-92.05
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1	REAL300000536988	0	43	-2.0	-94.06	381.72	6.62	-87.44
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1	REAL300000536989	0	42	-2.0	-109.54	363.26	3.68	-105.86
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1	REAL300000536990	0	44	-2.0	-100.48	375.70	6.74	-93.74
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2CCCCC2)N=C1	REAL300000536991	0	44	-2.0	-104.97	363.60	6.58	-98.39
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000536992	0	44	-2.0	-108.04	378.37	6.61	-101.43
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CCCCC2)N=C1	REAL300000536993	0	44	-2.0	-97.08	368.95	6.74	-90.34
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000536994	0	47	-2.0	-113.47	390.33	7.12	-106.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=CC=C1[N+](=O)[O-]	REAL300000536995	0	43	-2.0	-107.37	380.09	7.05	-100.32
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1	REAL300000536996	0	41	-2.0	-98.09	365.29	6.08	-92.01
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000536997	0	47	-2.0	-109.18	388.01	7.33	-101.85
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1C(=O)[O-]	REAL300000536998	0	44	-2.0	-107.71	375.01	6.56	-101.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1Cl	REAL300000536999	0	44	-2.0	-106.98	385.30	7.10	-99.88
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1	REAL300000537000	0	44	-2.0	-113.36	378.55	6.66	-106.70
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1C(=O)[O-]	REAL300000537001	0	47	-2.0	-110.99	387.50	7.14	-103.85
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1CC(=O)[O-]	REAL300000537002	0	48	-2.0	-111.07	404.00	6.09	-104.98
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C2CCCCC2)N=C1	REAL300000537003	0	44	-2.0	-98.21	380.33	7.09	-91.12
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=CC(C(=O)[O-])=C1Cl	REAL300000537004	0	44	-2.0	-106.81	384.76	6.91	-99.90
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1C(=O)[O-]	REAL300000537005	0	45	-2.0	-109.00	381.55	6.19	-102.81
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1C(=O)[O-]	REAL300000537006	0	44	-2.0	-103.50	387.27	7.02	-96.48
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000537007	0	44	-2.0	-96.81	369.53	6.51	-90.30
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCCCC2)N=C1	REAL300000537008	0	44	-2.0	-108.05	373.49	6.77	-101.28
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1[N+](=O)[O-]	REAL300000537009	0	43	-2.0	-115.53	377.28	7.82	-107.71
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1F	REAL300000537010	0	41	-2.0	-112.59	357.21	5.99	-106.60
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C1C(=O)[O-]	REAL300000537011	0	44	-2.0	-101.69	378.47	6.63	-95.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=CC2=CC=CC=C21	REAL300000537012	0	47	-2.0	-117.21	394.57	8.09	-109.12
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C1	REAL300000537013	0	40	-2.0	-106.74	349.75	4.09	-102.65
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CCCCC2)N=C1	REAL300000537014	0	45	-2.0	-101.03	381.74	5.76	-95.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)=C(Cl)O1	REAL300000537015	0	38	-2.0	-97.04	353.68	4.93	-92.11
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(C4CCCCC4)N=C3)C=C2)CC1	REAL300000537016	0	48	-2.0	-103.52	399.66	7.84	-95.68
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(C4CCCCC4)N=C3)C=C2C1	REAL300000537017	0	48	-2.0	-106.26	398.97	7.84	-98.42
CCC1=C(S(=O)(=O)[N-]C2=CN(C3CCCCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000537018	0	44	-2.0	-103.41	375.67	5.96	-97.45
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=C1CCCC2	REAL300000537019	1	44	-2.0	-92.24	375.49	8.10	-84.14
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=C1CCCC2	REAL300000537020	1	44	-2.0	-104.55	375.50	8.08	-96.47
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=C1CCCC2	REAL300000537021	0	41	-2.0	-98.89	368.70	7.12	-91.77
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=C1CCCC2	REAL300000537022	0	45	-2.0	-102.85	382.15	7.45	-95.40
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=C1CCCC2	REAL300000537023	0	41	-2.0	-100.34	367.16	7.13	-93.21
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C2=C1CCCC2	REAL300000537024	0	44	-2.0	-98.60	378.52	7.24	-91.36
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=C1CCCC2	REAL300000537025	0	41	-2.0	-93.87	367.77	7.21	-86.66
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=C1CCCC2	REAL300000537026	0	43	-2.0	-102.21	371.72	6.21	-96.00
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C(C)S1	REAL300000537027	0	38	-2.0	-88.25	356.67	4.11	-84.14
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537028	1	31	-2.0	-104.69	304.74	5.56	-99.13
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)SC(C)=C1	REAL300000537029	0	39	-2.0	-105.68	359.83	6.62	-99.06
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=C(C)S1	REAL300000537030	0	31	-2.0	-102.02	316.63	6.24	-95.78
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C(C)S1	REAL300000537031	1	31	-2.0	-94.76	299.87	5.55	-89.21
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C)S1	REAL300000537032	1	31	-2.0	-107.26	300.21	5.52	-101.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)SC(C)=C1	REAL300000537033	0	35	-2.0	-112.69	328.35	5.33	-107.36
CC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537034	1	31	-2.0	-102.83	316.46	6.01	-96.82
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C(C)S1	REAL300000537035	1	35	-2.0	-94.35	331.66	6.82	-87.53
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537036	1	34	-2.0	-108.41	315.90	6.07	-102.34
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C(C)S1	REAL300000537037	0	31	-2.0	-102.72	313.28	6.09	-96.63
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537038	1	31	-2.0	-103.14	312.72	5.91	-97.23
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C(C)S1	REAL300000537039	0	31	-2.0	-98.33	325.45	6.48	-91.85
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C(C)S1	REAL300000537040	1	37	-2.0	-109.91	332.99	6.86	-103.05
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(C)S1	REAL300000537041	0	31	-2.0	-104.54	305.69	5.58	-98.96
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C(C)S1	REAL300000537042	1	37	-2.0	-93.55	343.47	7.11	-86.44
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(C)S1	REAL300000537043	0	28	-2.0	-101.83	293.39	4.54	-97.29
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C(C)S1	REAL300000537044	1	34	-2.0	-108.04	315.64	6.31	-101.73
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C(C)S1	REAL300000537045	1	35	-2.0	-93.04	331.28	5.79	-87.25
CC1=CC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=C(C)S1	REAL300000537046	1	42	-2.0	-89.61	376.72	6.59	-83.02
CC1=CC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=C(C)S1	REAL300000537047	0	28	-2.0	-98.40	310.10	5.32	-93.08
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537048	0	32	-2.0	-105.61	306.54	4.89	-100.72
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C(C)S1	REAL300000537049	1	35	-2.0	-108.63	323.67	4.39	-104.24
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C(C)S1	REAL300000537050	0	31	-2.0	-97.72	308.99	5.22	-92.50
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C(C)S1	REAL300000537051	1	37	-2.0	-109.32	331.34	6.85	-102.47
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(C)S1	REAL300000537052	0	28	-2.0	-103.18	291.86	4.56	-98.62
COC1=CC(S(=O)(=O)[N-]C2=C(C)SC(C)=C2)=CC(C(=O)[O-])=C1OC	REAL300000537053	1	39	-2.0	-107.87	358.53	5.34	-102.53
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC(C)=C2)C=C1C(=O)[O-]	REAL300000537054	1	35	-2.0	-113.12	327.18	5.60	-107.52
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C(C)S1	REAL300000537055	1	41	-2.0	-111.93	355.12	8.19	-103.74
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C(C)S1	REAL300000537056	1	40	-2.0	-110.22	354.11	7.55	-102.67
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)SC(C)=C1	REAL300000537057	1	37	-2.0	-106.23	330.18	7.25	-98.98
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)SC(C)=C1	REAL300000537058	0	38	-2.0	-113.43	350.64	6.08	-107.35
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C(C)S1	REAL300000537059	0	34	-2.0	-107.75	329.36	6.10	-101.65
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C(C)S1	REAL300000537059	1	33	-3.0	-182.74	328.62	6.09	-176.65
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C(C)S1	REAL300000537060	1	38	-2.0	-112.38	344.46	7.42	-104.96
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C(C)S1	REAL300000537061	0	31	-2.0	-101.07	302.89	4.68	-96.39
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537062	1	37	-2.0	-112.18	342.06	5.30	-106.88
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C(C)S1	REAL300000537063	0	35	-2.0	-108.38	328.80	4.64	-103.74
CC1=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C(C)S1	REAL300000537064	1	39	-2.0	-93.54	352.81	6.14	-87.40
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537065	0	31	-2.0	-96.88	327.88	6.38	-90.50
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C(C)S1	REAL300000537066	0	31	-2.0	-99.40	317.81	6.11	-93.29
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C(C)S1	REAL300000537067	1	35	-2.0	-91.40	346.99	6.36	-85.04
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C(C)S1	REAL300000537068	1	38	-2.0	-93.41	351.04	6.52	-86.89
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C(C)S1	REAL300000537069	1	41	-2.0	-92.12	379.63	6.78	-85.34
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C(C)S1	REAL300000537070	0	34	-2.0	-98.58	320.59	6.36	-92.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=C(C)S1	REAL300000537071	1	44	-2.0	-93.42	393.50	7.45	-85.97
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C(C)S1	REAL300000537072	1	35	-2.0	-92.38	337.19	5.88	-86.50
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC(C)=C2)C=C1C(=O)[O-]	REAL300000537073	1	38	-2.0	-113.85	349.04	6.51	-107.34
CC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C(C)S1	REAL300000537074	0	31	-2.0	-104.35	309.58	5.44	-98.91
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C(C)S1	REAL300000537075	0	31	-2.0	-96.43	328.11	6.55	-89.88
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C(C)S1	REAL300000537076	0	31	-2.0	-92.26	313.26	6.09	-86.17
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=C(C)S1	REAL300000537077	0	31	-2.0	-91.67	316.61	6.23	-85.44
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(C)S1	REAL300000537078	0	31	-2.0	-94.20	304.73	5.57	-88.63
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(C)S1	REAL300000537079	0	28	-2.0	-96.63	292.15	4.66	-91.97
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(C)S1	REAL300000537080	0	31	-2.0	-98.02	306.30	5.60	-92.42
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C(C)S1	REAL300000537081	0	34	-2.0	-105.91	325.63	6.23	-99.68
COC1=CC(S(=O)(=O)[N-]C2=C(C)SC(C)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000537082	0	35	-2.0	-96.83	340.19	6.16	-90.67
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(C)S1	REAL300000537083	0	31	-2.0	-94.26	305.68	5.60	-88.66
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C(C)S1	REAL300000537084	1	31	-2.0	-92.36	312.70	5.93	-86.43
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C(C)S1	REAL300000537085	0	34	-2.0	-100.27	329.33	6.74	-93.53
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C(C)S1	REAL300000537086	0	39	-2.0	-90.98	363.94	6.94	-84.04
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=C(C)S1	REAL300000537087	1	31	-2.0	-91.91	316.43	6.02	-85.89
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537088	0	31	-2.0	-96.24	311.03	5.62	-90.62
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C(C)S1	REAL300000537089	0	33	-2.0	-92.25	328.40	6.19	-86.06
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C(C)S1	REAL300000537090	0	32	-2.0	-106.98	309.92	3.25	-103.73
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C(C)S1	REAL300000537091	1	34	-2.0	-98.44	322.07	6.31	-92.13
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537092	1	31	-2.0	-97.71	320.92	6.06	-91.65
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C(C)S1	REAL300000537093	1	34	-2.0	-103.36	309.92	6.16	-97.20
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537094	1	34	-2.0	-106.10	325.04	6.18	-99.92
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C(C)S1	REAL300000537095	1	34	-2.0	-94.98	315.63	6.30	-88.68
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537096	1	37	-2.0	-110.38	333.35	6.62	-103.76
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C(C)S1	REAL300000537097	0	33	-2.0	-105.46	326.76	6.61	-98.85
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C(C)S1	REAL300000537098	0	31	-2.0	-96.10	311.62	5.66	-90.44
CC1=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=C(C)S1	REAL300000537099	0	28	-2.0	-94.46	312.46	5.24	-89.22
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C(C)S1	REAL300000537100	1	37	-2.0	-107.81	333.41	6.95	-100.86
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C(C)S1	REAL300000537101	0	34	-2.0	-105.76	321.69	6.13	-99.63
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C(C)S1	REAL300000537102	0	34	-2.0	-104.47	331.66	6.67	-97.80
CC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C(C)S1	REAL300000537103	0	34	-2.0	-112.17	324.92	6.23	-105.94
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC(C)=C2)C=C1C(=O)[O-]	REAL300000537104	1	37	-2.0	-109.12	334.21	6.72	-102.40
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)SC(C)=C2)C=C1CC(=O)[O-]	REAL300000537105	1	38	-2.0	-108.76	350.36	5.66	-103.10
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C(C)S1	REAL300000537106	0	34	-2.0	-96.63	326.15	6.73	-89.90
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C(C)S1	REAL300000537107	1	34	-2.0	-91.25	330.32	6.34	-84.91
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537108	1	34	-2.0	-104.99	331.43	6.48	-98.51
CC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=C(C)S1	REAL300000537109	0	31	-2.0	-99.93	321.19	6.15	-93.78
CCN1C=C(S(=O)(=O)[N-]C2=C(C)SC(C)=C2)C=C1C(=O)[O-]	REAL300000537110	0	35	-2.0	-106.89	327.84	5.74	-101.15
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C(C)S1	REAL300000537111	1	43	-2.0	-106.25	365.12	8.37	-97.88
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C(C)S1	REAL300000537112	0	31	-2.0	-94.85	325.81	6.08	-88.77
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=C(C)S1	REAL300000537113	0	35	-2.0	-93.88	344.91	5.83	-88.05
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537114	1	34	-2.0	-100.66	330.07	6.48	-94.18
CC1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C(C)S1	REAL300000537115	0	40	-2.0	-103.93	349.65	7.66	-96.27
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)SC(C)=C2)C=C1C(=O)[O-]	REAL300000537116	0	35	-2.0	-108.41	340.54	6.16	-102.25
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C(C)S1	REAL300000537117	1	34	-2.0	-94.93	316.22	6.07	-88.86
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C(C)S1	REAL300000537118	0	36	-2.0	-99.09	343.46	7.72	-91.37
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C(C)S1	REAL300000537119	1	34	-2.0	-105.62	319.42	6.39	-99.23
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C(C)S1	REAL300000537120	0	33	-2.0	-114.18	323.61	7.39	-106.79
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(C)S1	REAL300000537121	0	31	-2.0	-111.36	303.52	5.56	-105.80
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537122	0	34	-2.0	-99.00	321.37	6.09	-92.91
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C(C)S1	REAL300000537123	0	37	-2.0	-115.67	340.93	7.66	-108.01
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(C)S1	REAL300000537124	0	30	-2.0	-105.05	296.42	3.65	-101.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)SC(C)=C1	REAL300000537125	0	35	-2.0	-99.07	328.41	5.33	-93.74
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C(C)S1	REAL300000537126	0	28	-2.0	-95.18	299.99	4.52	-90.66
CC1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=C(C)S1	REAL300000537127	1	35	-2.0	-102.42	343.68	6.08	-96.34
CC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=C(C)S1	REAL300000537128	0	34	-2.0	-98.50	343.21	2.57	-95.93
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C(C)S1	REAL300000537129	1	38	-2.0	-101.36	346.34	7.39	-93.97
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C(C)S1	REAL300000537130	1	38	-2.0	-104.41	344.30	7.38	-97.03
CCC1=C(S(=O)(=O)[N-]C2=C(C)SC(C)=C2)C=C(C(=O)[O-])O1	REAL300000537131	0	34	-2.0	-100.90	322.01	5.53	-95.37
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000537132	0	38	-2.0	-86.36	362.48	2.04	-84.32
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000537133	0	31	-2.0	-103.29	311.33	3.53	-99.76
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1C	REAL300000537134	0	39	-2.0	-102.83	365.64	4.54	-98.29
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000537135	0	31	-2.0	-92.01	306.00	3.46	-88.55
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000537136	0	31	-2.0	-105.68	306.79	3.49	-102.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1C	REAL300000537137	0	35	-2.0	-108.82	334.16	3.25	-105.57
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000537138	0	35	-2.0	-92.19	337.48	4.75	-87.44
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000537139	0	34	-2.0	-106.69	322.80	4.03	-102.66
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000537140	0	31	-2.0	-99.41	319.09	4.01	-95.40
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000537141	0	31	-2.0	-101.63	319.30	3.89	-97.74
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000537142	0	37	-2.0	-106.57	338.69	4.80	-101.77
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000537143	0	31	-2.0	-100.63	311.49	3.51	-97.12
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000537144	0	37	-2.0	-91.23	349.59	5.02	-86.21
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000537145	0	28	-2.0	-100.27	299.98	2.51	-97.76
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000537146	0	34	-2.0	-104.66	321.45	4.24	-100.42
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000537147	0	35	-2.0	-90.77	337.09	3.74	-87.03
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000537148	0	32	-2.0	-104.23	313.43	2.84	-101.39
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000537149	0	35	-2.0	-105.35	329.80	2.27	-103.08
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000537150	0	31	-2.0	-94.78	315.13	3.13	-91.65
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000537151	0	37	-2.0	-109.99	342.24	4.92	-105.07
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000537152	0	28	-2.0	-101.66	298.44	2.53	-99.13
COC1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2C)=CC(C(=O)[O-])=C1OC	REAL300000537153	0	39	-2.0	-103.74	364.35	3.26	-100.48
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000537154	0	35	-2.0	-111.66	334.08	3.57	-108.09
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000537155	0	41	-2.0	-111.10	362.02	6.13	-104.97
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000537156	0	40	-2.0	-106.58	359.92	5.45	-101.13
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1C	REAL300000537157	0	37	-2.0	-103.17	336.16	5.18	-97.99
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1C	REAL300000537158	0	38	-2.0	-108.94	356.45	4.01	-104.93
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000537159	0	33	-3.0	-176.85	334.42	4.02	-172.83
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000537160	0	38	-2.0	-108.56	348.87	5.38	-103.18
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000537161	0	31	-2.0	-98.06	309.04	2.59	-95.47
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000537162	0	37	-2.0	-109.11	348.20	3.23	-105.88
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000537163	0	35	-2.0	-104.71	334.94	2.55	-102.16
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000537164	0	39	-2.0	-93.61	360.42	4.10	-89.51
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000537165	0	31	-2.0	-96.50	323.61	4.04	-92.46
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000537166	0	35	-2.0	-90.93	353.89	4.32	-86.61
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000537167	0	38	-2.0	-92.80	357.94	4.48	-88.32
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000537168	0	34	-2.0	-95.60	326.73	4.27	-91.33
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000537169	0	35	-2.0	-91.94	344.09	3.85	-88.09
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000537170	0	38	-2.0	-112.24	355.93	4.47	-107.77
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000537171	0	31	-2.0	-103.93	315.41	3.40	-100.53
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000537172	0	31	-2.0	-89.77	319.07	4.01	-85.76
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000537173	0	31	-2.0	-93.18	311.32	3.54	-89.64
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000537174	0	28	-2.0	-93.78	298.28	2.56	-91.22
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000537175	0	31	-2.0	-95.33	312.44	3.51	-91.82
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000537176	0	34	-2.0	-101.99	331.77	4.16	-97.83
COC1=CC(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000537177	0	35	-2.0	-94.44	346.32	4.06	-90.38
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000537178	0	31	-2.0	-91.28	311.48	3.52	-87.76
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000537179	0	31	-2.0	-91.20	319.29	3.90	-87.30
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000537180	0	34	-2.0	-97.20	335.46	4.65	-92.55
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000537181	0	39	-2.0	-89.12	369.76	4.86	-84.26
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000537182	0	31	-2.0	-93.08	316.85	3.55	-89.53
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000537183	0	33	-2.0	-88.96	334.21	4.12	-84.84
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000537184	0	32	-2.0	-103.76	315.74	1.16	-102.60
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000537185	0	34	-2.0	-95.57	328.20	4.22	-91.35
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000537186	0	31	-2.0	-94.38	326.73	3.97	-90.41
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000537187	0	34	-2.0	-100.24	316.07	4.08	-96.16
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000537188	0	34	-2.0	-102.34	330.86	4.10	-98.24
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000537189	0	34	-2.0	-92.38	321.43	4.22	-88.16
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000537190	0	37	-2.0	-107.14	338.90	4.51	-102.63
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000537191	0	33	-2.0	-104.28	333.34	4.60	-99.68
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000537192	0	31	-2.0	-92.64	317.77	3.58	-89.06
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000537193	0	37	-2.0	-104.57	339.55	4.85	-99.72
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000537194	0	34	-2.0	-102.90	331.33	4.15	-98.75
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=C(Cl)C(C)=CC(C(=O)[O-])=C1	REAL300000537195	0	34	-2.0	-101.13	337.78	4.58	-96.55
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000537196	0	34	-2.0	-108.46	331.07	4.14	-104.32
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000537197	0	37	-2.0	-107.38	341.11	4.69	-102.69
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2C)C=C1CC(=O)[O-]	REAL300000537198	0	38	-2.0	-107.53	357.26	3.62	-103.91
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000537199	0	34	-2.0	-93.66	332.28	4.63	-89.03
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000537200	0	34	-2.0	-90.24	336.91	4.30	-85.94
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C(C)=C1	REAL300000537201	0	34	-2.0	-100.94	337.25	4.40	-96.54
CCN1C=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000537202	0	35	-2.0	-105.46	334.81	3.71	-101.75
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000537203	0	43	-2.0	-104.12	371.17	6.31	-97.81
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000537204	0	34	-2.0	-97.93	339.79	4.52	-93.41
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000537205	0	40	-2.0	-101.08	355.46	5.59	-95.49
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000537206	0	35	-2.0	-105.01	346.34	4.08	-100.93
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000537207	0	34	-2.0	-93.62	322.79	4.04	-89.58
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000537208	0	36	-2.0	-96.68	349.27	5.65	-91.03
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000537209	0	34	-2.0	-102.58	325.55	4.28	-98.30
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000537210	0	33	-2.0	-110.82	329.75	5.32	-105.50
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000537211	0	31	-2.0	-107.71	309.65	3.47	-104.24
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000537212	0	34	-2.0	-96.18	330.98	4.13	-92.05
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000537213	0	37	-2.0	-112.38	347.06	5.56	-106.82
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000537214	0	30	-2.0	-103.56	303.77	1.55	-102.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C(F)F)N=C1C	REAL300000537215	0	35	-2.0	-96.06	334.22	3.25	-92.81
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000537216	0	28	-2.0	-92.16	306.14	2.43	-89.73
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000537217	0	38	-2.0	-98.33	352.15	5.33	-93.00
CC1=NN(C(F)F)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000537218	0	38	-2.0	-93.21	351.10	5.33	-87.88
CCC1=C(S(=O)(=O)[N-]C2=CN(C(F)F)N=C2C)C=C(C(=O)[O-])O1	REAL300000537219	0	34	-2.0	-98.04	328.14	3.43	-94.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)=CC=C1F	REAL300000537220	0	38	-2.0	-116.27	364.97	7.70	-108.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)C=C1	REAL300000537221	0	38	-2.0	-106.20	360.42	7.68	-98.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)=C1	REAL300000537222	0	38	-2.0	-119.17	360.44	7.67	-111.50
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)C=C1C(=O)[O-]	REAL300000537223	0	41	-2.0	-121.64	380.51	8.32	-113.32
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)=C1	REAL300000537224	0	38	-2.0	-116.99	365.91	7.74	-109.25
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)=C1	REAL300000537225	0	35	-2.0	-113.16	353.62	6.70	-106.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300000537226	0	41	-2.0	-120.59	375.87	8.45	-112.14
CN1C=C(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)C=C1C(=O)[O-]	REAL300000537227	0	39	-2.0	-117.39	367.08	7.03	-110.36
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)=C1	REAL300000537228	0	38	-2.0	-109.35	369.55	7.36	-101.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)=CS1	REAL300000537229	0	35	-2.0	-114.57	352.09	6.71	-107.86
CC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000537230	0	38	-2.0	-113.07	363.44	6.82	-106.25
CC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000537231	0	38	-2.0	-116.68	369.06	7.56	-109.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)C=C1F	REAL300000537232	0	38	-2.0	-105.54	364.95	7.71	-97.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)S1	REAL300000537233	0	35	-2.0	-108.06	352.69	6.80	-101.26
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)=C1	REAL300000537234	0	38	-2.0	-109.97	366.84	7.74	-102.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)C(F)=C1	REAL300000537235	0	38	-2.0	-105.62	365.90	7.74	-97.88
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)=C1	REAL300000537236	0	39	-2.0	-119.55	370.15	5.39	-114.16
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)C=C1	REAL300000537237	0	41	-2.0	-110.42	382.60	8.46	-101.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300000537238	0	41	-2.0	-114.80	370.51	8.30	-106.50
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300000537239	0	41	-2.0	-106.31	375.84	8.43	-97.88
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)C=C1C(=O)[O-]	REAL300000537240	0	42	-2.0	-118.75	388.46	7.89	-110.86
CC1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)=CC=C1C(=O)[O-]	REAL300000537241	0	41	-2.0	-106.31	376.44	8.22	-98.09
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)=C1F	REAL300000537242	0	38	-2.0	-122.81	364.07	7.70	-115.11
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)=C1	REAL300000537243	0	37	-2.0	-117.07	356.65	5.80	-111.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)=C(Cl)O1	REAL300000537244	0	35	-2.0	-106.58	360.54	6.65	-99.93
CCC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=C(F)C=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000537245	0	41	-2.0	-112.96	382.56	7.67	-105.29
CN1N=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C1=CC=C(F)C=C1	REAL300000537246	0	38	-2.0	-113.54	356.48	7.01	-106.53
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C1=CC=C(F)C=C1	REAL300000537247	0	38	-2.0	-103.33	351.93	6.99	-96.34
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C1=CC=C(F)C=C1	REAL300000537248	0	38	-2.0	-116.34	351.95	6.98	-109.36
CC1=CC=C(S(=O)(=O)[N-]C2=NN(C)C(C3=CC=C(F)C=C3)=C2)C=C1C(=O)[O-]	REAL300000537249	0	41	-2.0	-117.51	368.38	7.52	-109.99
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C1=CC=C(F)C=C1	REAL300000537250	0	38	-2.0	-113.70	357.44	7.04	-106.66
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C1=CC=C(F)C=C1	REAL300000537251	0	35	-2.0	-110.35	345.09	6.00	-104.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300000537252	0	41	-2.0	-117.29	367.40	7.76	-109.53
CN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C3=CC=C(F)C=C3)=C2)C=C1C(=O)[O-]	REAL300000537253	0	39	-2.0	-114.68	358.59	6.34	-108.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C)C(C3=CC=C(F)C=C3)=C2)=C1	REAL300000537254	0	38	-2.0	-106.30	361.00	6.66	-99.64
CN1N=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C1=CC=C(F)C=C1	REAL300000537255	0	35	-2.0	-111.76	343.60	6.00	-105.76
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C3=CC=C(F)C=C3)=C2)C=C(C(=O)[O-])O1	REAL300000537256	0	38	-2.0	-109.78	354.97	6.13	-103.65
CC1=C(S(=O)(=O)[N-]C2=NN(C)C(C3=CC=C(F)C=C3)=C2)C=C(C(=O)[O-])S1	REAL300000537257	0	38	-2.0	-113.49	360.59	6.87	-106.62
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C1=CC=C(F)C=C1	REAL300000537258	0	38	-2.0	-102.58	356.48	7.02	-95.56
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C1=CC=C(F)C=C1	REAL300000537259	0	35	-2.0	-105.06	344.22	6.11	-98.95
CN1N=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C1=CC=C(F)C=C1	REAL300000537260	0	38	-2.0	-106.82	358.37	7.05	-99.77
CN1N=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C1=CC=C(F)C=C1	REAL300000537261	0	38	-2.0	-102.77	357.35	7.05	-95.72
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C1=CC=C(F)C=C1	REAL300000537262	0	39	-2.0	-116.16	361.62	4.68	-111.48
CN1N=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C1=CC=C(F)C=C1	REAL300000537263	0	41	-2.0	-107.08	374.11	7.76	-99.32
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300000537264	0	41	-2.0	-112.30	361.94	7.61	-104.69
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300000537265	0	41	-2.0	-103.49	367.31	7.75	-95.74
CCN1C=C(S(=O)(=O)[N-]C2=NN(C)C(C3=CC=C(F)C=C3)=C2)C=C1C(=O)[O-]	REAL300000537266	0	42	-2.0	-116.01	379.97	7.20	-108.81
CC1=CC(S(=O)(=O)[N-]C2=NN(C)C(C3=CC=C(F)C=C3)=C2)=CC=C1C(=O)[O-]	REAL300000537267	0	41	-2.0	-103.49	367.85	7.52	-95.97
CN1N=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C1=CC=C(F)C=C1	REAL300000537268	0	38	-2.0	-120.43	355.56	7.01	-113.42
CN1N=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C1=CC=C(F)C=C1	REAL300000537269	0	37	-2.0	-113.99	348.11	5.10	-108.89
CN1N=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C1=CC=C(F)C=C1	REAL300000537270	0	35	-2.0	-103.47	352.04	5.94	-97.53
CCC1=C(S(=O)(=O)[N-]C2=NN(C)C(C3=CC=C(F)C=C3)=C2)C=C(C(=O)[O-])O1	REAL300000537271	0	41	-2.0	-109.57	374.05	6.98	-102.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=CC=C1F	REAL300000537272	0	36	-2.0	-110.33	329.92	5.80	-104.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1	REAL300000537273	0	36	-2.0	-100.25	325.36	5.78	-94.47
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1	REAL300000537274	0	36	-2.0	-113.49	325.39	5.77	-107.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC2=C1OCCC2	REAL300000537275	0	40	-2.0	-119.32	353.53	5.58	-113.74
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1	REAL300000537276	0	40	-2.0	-99.62	356.83	7.07	-92.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1C(=O)[O-]	REAL300000537277	0	39	-2.0	-114.54	341.42	6.31	-108.23
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1	REAL300000537278	0	36	-2.0	-108.94	338.46	6.34	-102.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=CC=C1Cl	REAL300000537279	0	36	-2.0	-108.85	337.89	6.16	-102.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1C	REAL300000537280	0	42	-2.0	-116.37	357.78	7.09	-109.28
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1	REAL300000537281	0	36	-2.0	-111.00	330.85	5.84	-105.16
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1	REAL300000537282	0	42	-2.0	-99.13	368.95	7.36	-91.77
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1	REAL300000537283	0	33	-2.0	-107.50	318.57	4.79	-102.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC2=C1OCCC2	REAL300000537284	0	39	-2.0	-114.42	340.81	6.56	-107.86
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1	REAL300000537285	0	40	-2.0	-98.33	356.45	6.06	-92.27
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1C(=O)[O-]	REAL300000537286	0	37	-2.0	-111.70	332.05	5.12	-106.58
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC2=C1OCCC2	REAL300000537287	0	40	-2.0	-114.60	349.58	4.59	-110.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1	REAL300000537288	0	36	-2.0	-103.38	334.49	5.46	-97.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1C(=O)[O-]	REAL300000537289	0	42	-2.0	-115.82	356.83	7.10	-108.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=CS1	REAL300000537290	0	33	-2.0	-108.72	317.04	4.80	-103.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1C(=O)[O-]	REAL300000537291	0	40	-2.0	-119.34	352.69	5.84	-113.50
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC2=C1OCCC2	REAL300000537292	0	45	-2.0	-116.80	379.28	7.79	-109.01
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC2=C1OCCC2	REAL300000537293	0	42	-2.0	-112.28	355.51	7.51	-104.77
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC2=C1OCCC2	REAL300000537294	0	43	-2.0	-119.86	375.81	6.34	-113.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=CC(C(=O)[O-])=C1	REAL300000537295	0	38	-3.0	-189.70	353.80	6.34	-183.36
O=C([O-])C1=CC(S(=O)(=O)NC2=CC(F)=CC3=C2OCCC3)=CC(C(=O)[O-])=C1	REAL300000537295	1	39	-2.0	-111.00	353.66	6.27	-104.73
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1	REAL300000537296	0	43	-2.0	-118.95	369.63	7.67	-111.28
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C(C(=O)[O-])O1	REAL300000537297	0	36	-2.0	-106.94	328.39	4.91	-102.03
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1	REAL300000537298	0	40	-2.0	-114.04	354.30	4.87	-109.17
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=CC=C1OCC(=O)[O-]	REAL300000537299	0	43	-2.0	-98.87	376.56	6.77	-92.10
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC2=C1OCCC2	REAL300000537300	0	39	-2.0	-104.94	345.67	6.62	-98.32
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1F	REAL300000537301	0	40	-2.0	-97.56	362.68	6.12	-91.44
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1C(=O)[O-]	REAL300000537302	0	43	-2.0	-120.02	374.52	6.75	-113.27
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C(C(=O)[O-])S1	REAL300000537303	0	36	-2.0	-110.61	334.01	5.67	-104.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C(Cl)=C1	REAL300000537304	0	36	-2.0	-97.63	338.44	6.33	-91.30
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1F	REAL300000537305	0	36	-2.0	-99.51	329.94	5.82	-93.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)S1	REAL300000537306	0	33	-2.0	-102.10	317.64	4.90	-97.20
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1	REAL300000537307	0	36	-2.0	-103.77	331.79	5.84	-97.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1F	REAL300000537308	0	39	-2.0	-112.53	351.14	6.48	-106.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C(F)=C1	REAL300000537309	0	36	-2.0	-99.79	330.85	5.84	-93.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1Cl	REAL300000537310	0	36	-2.0	-97.70	337.91	6.18	-91.52
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC2=C1OCCC2	REAL300000537311	0	39	-2.0	-106.70	354.41	6.99	-99.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=CC(F)=C1F	REAL300000537312	0	36	-2.0	-101.86	336.20	5.87	-95.99
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1	REAL300000537313	0	38	-2.0	-97.77	353.57	6.45	-91.32
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1	REAL300000537314	0	37	-2.0	-113.13	335.10	3.49	-109.64
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1	REAL300000537315	0	39	-2.0	-104.25	347.55	6.56	-97.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC2=C1OCCC2	REAL300000537316	0	39	-2.0	-109.00	335.42	6.41	-102.59
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=CC(C(=O)[O-])=C1F	REAL300000537317	0	39	-2.0	-111.73	350.21	6.43	-105.30
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC2=C1OCCC2	REAL300000537318	0	39	-2.0	-100.28	340.80	6.54	-93.74
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=CC(C(=O)[O-])=C1C	REAL300000537319	0	42	-2.0	-116.60	358.30	6.85	-109.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=CC=C1[N+](=O)[O-]	REAL300000537320	0	38	-2.0	-110.67	351.96	6.87	-103.80
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1	REAL300000537321	0	36	-2.0	-102.26	337.12	5.90	-96.36
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C(C)=C1C(=O)[O-]	REAL300000537322	0	42	-2.0	-113.23	359.86	7.17	-106.06
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1C(=O)[O-]	REAL300000537323	0	39	-2.0	-113.43	350.70	6.47	-106.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1Cl	REAL300000537324	0	39	-2.0	-110.77	357.14	6.91	-103.86
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1	REAL300000537325	0	39	-2.0	-118.03	350.42	6.47	-111.56
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1C(=O)[O-]	REAL300000537326	0	42	-2.0	-115.15	359.72	6.96	-108.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1CC(=O)[O-]	REAL300000537327	0	43	-2.0	-115.68	375.85	5.90	-109.78
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=CC2=C1OCCC2	REAL300000537328	0	39	-2.0	-102.21	351.64	6.95	-95.26
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=CC(C(=O)[O-])=C1Cl	REAL300000537329	0	39	-2.0	-110.71	356.60	6.74	-103.97
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1C(=O)[O-]	REAL300000537330	0	40	-2.0	-113.05	353.41	5.98	-107.07
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1C(=O)[O-]	REAL300000537331	0	39	-2.0	-107.83	359.17	6.85	-100.98
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=CC=C1C(=O)[O-]	REAL300000537332	0	39	-2.0	-100.47	341.41	6.32	-94.15
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC2=C1OCCC2	REAL300000537333	0	39	-2.0	-111.36	345.33	6.59	-104.77
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1[N+](=O)[O-]	REAL300000537334	0	38	-2.0	-120.13	349.13	7.64	-112.49
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1F	REAL300000537335	0	36	-2.0	-117.18	329.02	5.80	-111.38
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C1C(=O)[O-]	REAL300000537336	0	39	-2.0	-105.97	350.36	6.45	-99.52
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C1	REAL300000537337	0	35	-2.0	-111.12	321.60	3.89	-107.23
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC2=C1OCCC2	REAL300000537338	0	40	-2.0	-104.73	353.59	5.57	-99.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)=C(Cl)O1	REAL300000537339	0	33	-2.0	-100.61	325.49	4.75	-95.86
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC4=C3OCCC4)C=C2)CC1	REAL300000537340	0	43	-2.0	-107.19	371.51	7.66	-99.53
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC4=C3OCCC4)C=C2C1	REAL300000537341	0	43	-2.0	-109.76	369.48	7.64	-102.12
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC3=C2OCCC3)C=C(C(=O)[O-])O1	REAL300000537342	0	39	-2.0	-106.66	347.52	5.76	-100.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=CC=C1F	REAL300000537343	1	36	-2.0	-106.84	333.06	7.26	-99.58
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1	REAL300000537345	1	36	-2.0	-109.37	328.52	7.22	-102.15
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SCCCC2=C1	REAL300000537346	0	40	-2.0	-115.27	356.65	7.02	-108.25
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C=C1	REAL300000537347	1	40	-2.0	-96.31	359.99	8.52	-87.79
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1	REAL300000537349	0	36	-2.0	-105.18	341.59	7.80	-97.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=CC=C1Cl	REAL300000537350	1	36	-2.0	-105.23	341.04	7.61	-97.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1C	REAL300000537351	1	42	-2.0	-112.77	361.19	8.57	-104.20
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1	REAL300000537352	0	36	-2.0	-106.92	334.00	7.29	-99.63
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C=C1	REAL300000537353	1	42	-2.0	-95.70	372.11	8.80	-86.90
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1	REAL300000537354	0	33	-2.0	-103.48	321.70	6.24	-97.24
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SCCCC2=C1	REAL300000537355	1	39	-2.0	-110.58	343.95	8.00	-102.58
CN1C=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C=C1C(=O)[O-]	REAL300000537357	1	37	-2.0	-107.69	335.17	6.57	-101.12
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1	REAL300000537359	0	36	-2.0	-99.61	337.62	6.90	-92.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=CS1	REAL300000537361	0	33	-2.0	-104.98	320.17	6.26	-98.72
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SCCCC2=C1	REAL300000537363	1	45	-2.0	-112.86	382.42	9.23	-103.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SCCCC2=C1	REAL300000537364	1	42	-2.0	-108.97	358.66	8.94	-100.03
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SCCCC2=C1	REAL300000537365	0	43	-2.0	-115.35	378.95	7.78	-107.57
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3SCCCC3=C2)=C1	REAL300000537366	0	39	-2.0	-110.84	359.37	7.77	-103.07
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1	REAL300000537366	1	38	-3.0	-184.78	356.91	7.79	-176.99
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1	REAL300000537367	1	43	-2.0	-114.93	372.75	9.12	-105.81
CC1=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C=C(C(=O)[O-])O1	REAL300000537368	0	36	-2.0	-103.22	331.53	6.36	-96.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1	REAL300000537369	0	40	-2.0	-110.49	357.49	6.31	-104.18
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SCCCC2=C1	REAL300000537371	1	39	-2.0	-100.80	349.22	8.04	-92.76
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C=C1F	REAL300000537372	1	40	-2.0	-94.26	365.82	7.56	-86.70
CC1=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C=C(C(=O)[O-])S1	REAL300000537374	1	36	-2.0	-106.67	338.21	7.11	-99.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C(Cl)=C1	REAL300000537375	0	36	-2.0	-94.20	341.57	7.79	-86.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C=C1F	REAL300000537376	1	36	-2.0	-95.96	333.04	7.27	-88.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)S1	REAL300000537377	0	33	-2.0	-98.33	320.79	6.35	-91.98
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1	REAL300000537378	1	36	-2.0	-100.02	334.93	7.28	-92.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1F	REAL300000537379	0	39	-2.0	-108.34	354.25	7.92	-100.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C(F)=C1	REAL300000537380	0	36	-2.0	-96.06	333.98	7.30	-88.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C=C1Cl	REAL300000537381	1	36	-2.0	-94.13	341.03	7.62	-86.51
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2SCCCC2=C1	REAL300000537382	1	39	-2.0	-102.60	357.96	8.43	-94.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=CC(F)=C1F	REAL300000537383	1	36	-2.0	-98.19	339.35	7.32	-90.87
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1	REAL300000537384	1	38	-2.0	-94.07	356.72	7.89	-86.18
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1	REAL300000537385	0	37	-2.0	-109.60	338.23	4.94	-104.66
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3SCCCC3=C2)=C1	REAL300000537385	1	37	-2.0	-106.11	327.20	5.81	-100.30
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C=C1	REAL300000537386	1	39	-2.0	-100.58	350.71	7.99	-92.59
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2SCCCC2=C1	REAL300000537387	1	39	-2.0	-105.37	338.55	7.85	-97.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000537391	0	38	-2.0	-107.37	355.10	8.30	-99.07
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1	REAL300000537392	0	36	-2.0	-98.26	340.26	7.35	-90.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C=C1C(=O)[O-]	REAL300000537394	0	39	-2.0	-109.24	353.83	7.92	-101.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1Cl	REAL300000537395	0	39	-2.0	-107.04	360.29	8.36	-98.68
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1	REAL300000537396	0	39	-2.0	-114.20	353.54	7.92	-106.28
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2SCCCC2=C1	REAL300000537399	1	39	-2.0	-98.61	354.78	8.40	-90.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000537400	1	39	-2.0	-106.92	359.73	8.18	-98.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C=C1C(=O)[O-]	REAL300000537401	1	40	-2.0	-108.95	356.54	7.44	-101.51
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C=C1C(=O)[O-]	REAL300000537402	1	39	-2.0	-103.91	362.25	8.29	-95.62
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1[N+](=O)[O-]	REAL300000537405	0	38	-2.0	-116.56	352.23	9.07	-107.49
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1F	REAL300000537406	0	36	-2.0	-113.43	332.13	7.25	-106.18
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C=C1C(=O)[O-]	REAL300000537407	1	39	-2.0	-101.99	353.45	7.90	-94.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=CC2=CC=CC=C21	REAL300000537408	1	42	-2.0	-117.95	369.56	9.35	-108.60
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C1	REAL300000537409	0	35	-2.0	-106.87	325.50	5.28	-101.59
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2SCCCC2=C1	REAL300000537410	0	40	-2.0	-101.03	356.72	7.02	-94.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)=C(Cl)O1	REAL300000537411	0	33	-2.0	-96.96	328.66	6.19	-90.77
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4SCCCC4=C3)C=C2)CC1	REAL300000537412	1	43	-2.0	-103.51	374.65	9.09	-94.42
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4SCCCC4=C3)C=C2C1	REAL300000537413	1	43	-2.0	-106.62	373.99	9.09	-97.53
CCC1=C(S(=O)(=O)[N-]C2=CC=C3SCCCC3=C2)C=C(C(=O)[O-])O1	REAL300000537414	0	39	-2.0	-103.15	350.64	7.21	-95.94
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000537415	1	37	-2.0	-112.79	350.29	4.62	-108.17
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000537416	1	37	-2.0	-102.42	345.73	4.60	-97.82
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000537417	1	37	-2.0	-114.86	345.74	4.59	-110.27
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(P(C)(C)=O)=C1	REAL300000537418	0	41	-2.0	-120.07	373.89	4.38	-115.69
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000537419	1	41	-2.0	-101.94	377.20	5.89	-96.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000537420	1	40	-2.0	-116.72	361.77	5.13	-111.59
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000537421	0	37	-2.0	-110.08	358.82	5.16	-104.92
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000537422	1	37	-2.0	-111.22	358.27	4.99	-106.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)=C1C	REAL300000537423	1	43	-2.0	-117.46	378.43	5.94	-111.52
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000537424	0	37	-2.0	-112.02	351.23	4.65	-107.37
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000537425	1	43	-2.0	-101.05	389.32	6.18	-94.87
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000537426	0	34	-2.0	-109.06	338.93	3.61	-105.45
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(P(C)(C)=O)=C1	REAL300000537427	1	40	-2.0	-115.30	361.18	5.38	-109.92
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000537428	1	41	-2.0	-100.57	376.83	4.87	-95.70
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000537429	0	38	-2.0	-113.22	352.40	3.94	-109.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)=C1	REAL300000537431	0	37	-2.0	-105.55	354.86	4.27	-101.28
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000537432	1	43	-2.0	-116.94	376.82	5.94	-111.00
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000537433	0	34	-2.0	-110.50	337.40	3.63	-106.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000537434	1	41	-2.0	-120.61	373.04	4.66	-115.95
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(P(C)(C)=O)=C1	REAL300000537435	1	46	-2.0	-117.39	399.65	6.59	-110.80
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(P(C)(C)=O)=C1	REAL300000537436	1	43	-2.0	-113.39	375.92	6.31	-107.08
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(P(C)(C)=O)=C1	REAL300000537437	0	44	-2.0	-119.83	396.18	5.15	-114.68
CP(C)(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000537438	0	40	-2.0	-111.81	380.67	5.02	-106.79
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000537438	1	39	-3.0	-191.37	374.16	5.16	-186.21
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000537439	1	44	-2.0	-119.58	390.02	6.50	-113.08
CC1=C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000537440	0	37	-2.0	-108.37	348.78	3.73	-104.64
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)=C1	REAL300000537441	0	41	-2.0	-117.15	374.67	3.68	-113.47
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)=CC=C1OCC(=O)[O-]	REAL300000537442	1	44	-2.0	-101.01	396.91	5.57	-95.44
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(P(C)(C)=O)=C1	REAL300000537443	1	40	-2.0	-105.75	366.46	5.41	-100.34
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000537444	1	44	-2.0	-122.01	394.90	5.57	-116.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)C=C(C(=O)[O-])S1	REAL300000537445	0	37	-2.0	-111.57	355.44	4.48	-107.09
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000537446	0	37	-2.0	-99.85	358.81	5.15	-94.70
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000537447	1	37	-2.0	-101.77	350.27	4.63	-97.14
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000537448	0	34	-2.0	-104.26	338.02	3.71	-100.55
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000537449	1	37	-2.0	-105.55	352.16	4.65	-100.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)=C1F	REAL300000537450	0	40	-2.0	-113.50	371.51	5.29	-108.21
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000537451	0	37	-2.0	-101.99	351.22	4.66	-97.33
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000537452	1	37	-2.0	-99.85	358.25	5.00	-94.85
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000537453	1	37	-2.0	-103.61	356.58	4.69	-98.92
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000537454	0	39	-2.0	-99.73	373.95	5.25	-94.48
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000537455	0	38	-2.0	-114.03	355.45	2.30	-111.73
CP(C)(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000537455	1	38	-2.0	-111.05	354.56	3.18	-107.87
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000537456	1	40	-2.0	-105.74	367.92	5.38	-100.36
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(P(C)(C)=O)=C1	REAL300000537457	1	40	-2.0	-111.78	355.82	5.23	-106.55
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000537458	1	40	-2.0	-113.51	370.60	5.24	-108.27
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(P(C)(C)=O)=C1	REAL300000537459	1	40	-2.0	-102.41	361.16	5.36	-97.05
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000537460	1	43	-2.0	-118.72	378.64	5.65	-113.07
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000537461	0	39	-2.0	-112.75	372.33	5.68	-107.07
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000537462	0	37	-2.0	-103.91	357.48	4.71	-99.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)C(C)=C1C(=O)[O-]	REAL300000537463	1	43	-2.0	-116.36	379.13	6.00	-110.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000537464	0	40	-2.0	-114.38	371.07	5.28	-109.10
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)=C1	REAL300000537465	0	40	-2.0	-120.96	370.78	5.28	-115.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000537466	1	43	-2.0	-117.51	380.03	5.77	-111.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)C=C1CC(=O)[O-]	REAL300000537467	1	44	-2.0	-116.60	396.22	4.71	-111.89
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000537468	0	41	-2.0	-114.53	373.77	4.81	-109.72
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)=CC=C1C(=O)[O-]	REAL300000537469	1	40	-2.0	-102.56	361.76	5.14	-97.42
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(P(C)(C)=O)=C1	REAL300000537470	1	40	-2.0	-112.79	365.29	5.43	-107.36
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000537471	0	39	-2.0	-123.29	369.48	6.45	-116.84
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000537472	0	37	-2.0	-120.13	349.41	4.63	-115.50
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000537473	1	40	-2.0	-108.06	370.69	5.27	-102.79
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000537474	0	36	-2.0	-112.76	341.98	2.72	-110.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(P(C)(C)=O)=C1	REAL300000537475	0	41	-2.0	-106.62	373.95	4.40	-102.22
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000537476	0	34	-2.0	-102.30	345.90	3.57	-98.73
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000537477	1	44	-2.0	-108.71	391.88	6.48	-102.23
CP(C)(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000537478	1	44	-2.0	-113.14	391.21	6.47	-106.67
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(P(C)(C)=O)=C2)C=C(C(=O)[O-])O1	REAL300000537479	0	40	-2.0	-108.66	367.86	4.57	-104.09
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCOCC3)C=C2F)=C1	REAL300000537484	1	42	-2.0	-106.51	369.88	6.54	-99.97
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3CCOCC3)C=C2F)=C1	REAL300000537485	1	39	-2.0	-103.75	357.58	5.49	-98.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3CCOCC3)C=C2F)=C1	REAL300000537488	1	42	-2.0	-99.33	373.54	6.17	-93.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCOCC3)C=C2F)C=C(C(=O)[O-])O1	REAL300000537490	1	42	-2.0	-102.89	367.41	5.61	-97.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCOCC3)C=C2F)S1	REAL300000537493	1	39	-2.0	-98.64	356.66	5.60	-93.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCOCC3)C=C2F)C(F)=C1	REAL300000537495	1	42	-2.0	-96.42	369.87	6.54	-89.88
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3CCOCC3)C=C2F)=C1	REAL300000537496	0	43	-2.0	-109.17	369.79	4.48	-104.69
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CCOCC3)C=C2F)=C1F	REAL300000537502	1	42	-2.0	-114.33	368.04	6.50	-107.83
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3CCOCC3)C=C2F)=C1	REAL300000537503	0	41	-2.0	-107.29	360.61	4.59	-102.70
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCOCC3)C=C2F)C=C(C(=O)[O-])O1	REAL300000537504	1	45	-2.0	-102.71	386.53	6.46	-96.25
CC1=CC(CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=CC(C)=N1	REAL300000537507	1	47	-2.0	-109.25	413.23	8.28	-100.97
CC1=CC(CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=CC(C)=N1	REAL300000537508	0	45	-2.0	-109.27	402.79	7.03	-102.24
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000537509	0	41	-2.0	-104.47	373.06	6.98	-97.49
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000537510	0	41	-2.0	-93.95	368.51	6.97	-86.98
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000537511	0	41	-2.0	-106.27	368.54	6.96	-99.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OCC(C)C	REAL300000537512	0	45	-2.0	-111.71	396.66	6.75	-104.96
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000537513	0	45	-2.0	-93.45	399.98	8.26	-85.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000537514	0	44	-2.0	-107.39	384.54	7.49	-99.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)=C1C	REAL300000537515	0	47	-2.0	-109.41	401.19	8.31	-101.10
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000537516	0	41	-2.0	-103.66	373.99	7.02	-96.64
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000537517	0	47	-2.0	-92.74	412.10	8.55	-84.19
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000537518	0	38	-2.0	-101.44	361.71	5.98	-95.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OCC(C)C	REAL300000537519	0	44	-2.0	-107.03	383.96	7.74	-99.29
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000537520	0	45	-2.0	-92.09	399.60	7.25	-84.84
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000537521	0	42	-2.0	-105.52	375.17	6.31	-99.21
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OCC(C)C	REAL300000537522	0	45	-2.0	-107.80	392.31	5.80	-102.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)=C1	REAL300000537523	0	41	-2.0	-96.78	377.64	6.64	-90.14
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000537524	0	47	-2.0	-108.24	399.98	8.27	-99.97
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000537525	0	38	-2.0	-102.63	360.19	6.00	-96.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000537526	0	45	-2.0	-113.16	395.81	7.03	-106.13
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OCC(C)C	REAL300000537527	0	47	-2.0	-105.09	391.01	8.45	-96.64
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)C=C(C(=O)[O-])O1	REAL300000537528	0	41	-2.0	-99.60	371.53	6.10	-93.50
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)=C1	REAL300000537529	0	45	-2.0	-107.84	397.44	6.05	-101.79
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OCC(C)C	REAL300000537530	0	44	-2.0	-97.70	389.23	7.78	-89.92
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)C=C(C(=O)[O-])S1	REAL300000537531	0	41	-2.0	-103.59	378.22	6.85	-96.74
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000537532	0	41	-2.0	-93.64	373.04	6.99	-86.65
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000537533	0	38	-2.0	-95.88	360.79	6.09	-89.79
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000537534	0	41	-2.0	-97.15	374.94	7.03	-90.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)=C1F	REAL300000537535	0	44	-2.0	-105.20	394.28	7.67	-97.53
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000537536	0	41	-2.0	-93.74	373.99	7.04	-86.70
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000537537	0	42	-2.0	-105.20	378.24	4.66	-100.54
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000537538	0	44	-2.0	-98.53	390.71	7.74	-90.79
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OCC(C)C	REAL300000537539	0	44	-2.0	-102.49	378.56	7.59	-94.90
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)=CC(C(=O)[O-])=C1F	REAL300000537540	0	44	-2.0	-105.08	393.36	7.62	-97.46
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OCC(C)C	REAL300000537541	0	44	-2.0	-94.11	383.94	7.74	-86.37
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)=CC(C(=O)[O-])=C1C	REAL300000537542	0	47	-2.0	-110.20	401.99	8.05	-102.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)C(C)=C1C(=O)[O-]	REAL300000537543	0	47	-2.0	-107.02	402.06	8.38	-98.64
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000537544	0	44	-2.0	-105.97	393.84	7.66	-98.31
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)=C1	REAL300000537545	0	44	-2.0	-111.84	393.56	7.66	-104.18
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000537546	0	47	-2.0	-108.11	402.85	8.14	-99.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000537547	0	45	-2.0	-105.78	396.48	7.17	-98.61
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)=CC=C1C(=O)[O-]	REAL300000537548	0	44	-2.0	-94.42	384.53	7.51	-86.91
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OCC(C)C	REAL300000537549	0	44	-2.0	-104.78	388.06	7.80	-96.98
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000537550	0	41	-2.0	-111.20	372.16	6.99	-104.21
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)C=C1C(=O)[O-]	REAL300000537551	0	44	-2.0	-98.72	389.70	7.54	-91.18
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000537552	0	40	-2.0	-103.14	365.51	5.03	-98.11
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OCC(C)C	REAL300000537553	0	45	-2.0	-98.03	396.73	6.76	-91.27
CC(C)COC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000537554	0	38	-2.0	-94.56	368.63	5.93	-88.63
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OCC(C)C)C=C(C(=O)[O-])O1	REAL300000537555	0	44	-2.0	-99.76	379.89	6.62	-93.14
CN1C=C(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)C=N1	REAL300000537561	0	39	-2.0	-107.78	364.57	5.68	-102.10
CN1C=C(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)C=N1	REAL300000537562	0	36	-2.0	-104.66	352.28	4.65	-100.01
CN1C=C(OC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)C=N1	REAL300000537564	1	40	-2.0	-108.84	365.73	4.98	-103.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OC3=CN(C)N=C3)C=C2)=C1	REAL300000537565	0	39	-2.0	-100.43	368.22	5.30	-95.13
CN1C=C(OC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)C=N1	REAL300000537566	1	36	-2.0	-105.63	350.74	4.65	-100.98
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CN(C)N=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000537567	0	39	-2.0	-104.53	362.12	4.76	-99.77
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CN(C)N=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000537568	1	39	-2.0	-108.17	367.72	5.50	-102.67
CN1C=C(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)C=N1	REAL300000537569	1	39	-2.0	-97.16	363.61	5.66	-91.50
CN1C=C(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)C=N1	REAL300000537570	0	36	-2.0	-99.27	351.35	4.74	-94.53
CN1C=C(OC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)C=N1	REAL300000537571	1	39	-2.0	-101.20	365.50	5.69	-95.51
CN1C=C(OC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)C=N1	REAL300000537572	0	39	-2.0	-96.86	364.55	5.69	-91.17
CN1C=C(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)C=N1	REAL300000537573	0	40	-2.0	-110.77	368.81	3.32	-107.45
CN1C=C(OC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)C=N1	REAL300000537573	1	40	-2.0	-108.20	367.53	4.15	-104.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3=CN(C)N=C3)C=C2)C=C1C(=O)[O-]	REAL300000537577	1	43	-2.0	-110.11	387.11	5.84	-104.27
CN1C=C(OC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)C=N1	REAL300000537579	0	39	-2.0	-113.58	362.75	5.66	-107.92
CN1C=C(OC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)C=N1	REAL300000537580	0	38	-2.0	-107.54	355.30	3.75	-103.79
CN1C=C(OC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)C=N1	REAL300000537581	0	36	-2.0	-98.24	359.24	4.60	-93.64
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CN(C)N=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000537582	0	42	-2.0	-104.56	381.22	5.62	-98.94
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)C=C21	REAL300000537583	1	41	-2.0	-88.68	371.47	3.58	-85.10
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000537584	1	34	-2.0	-104.77	319.55	5.02	-99.75
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C)C2=C1	REAL300000537585	0	42	-2.0	-105.57	374.64	6.08	-99.49
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C21	REAL300000537586	1	34	-2.0	-95.03	315.01	5.00	-90.03
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300000537587	1	34	-2.0	-107.23	315.02	4.99	-102.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C)C2=C1	REAL300000537588	0	38	-2.0	-112.21	343.16	4.79	-107.42
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C21	REAL300000537589	1	38	-2.0	-94.70	346.47	6.29	-88.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000537590	1	37	-2.0	-108.38	331.04	5.52	-102.86
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C21	REAL300000537591	0	34	-2.0	-102.54	328.09	5.56	-96.98
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C21	REAL300000537592	1	34	-2.0	-103.11	327.52	5.38	-97.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)=C1C	REAL300000537593	1	40	-2.0	-109.52	347.41	6.31	-103.21
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C21	REAL300000537594	0	34	-2.0	-104.16	320.49	5.05	-99.11
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C21	REAL300000537595	1	40	-2.0	-94.01	358.60	6.58	-87.43
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C21	REAL300000537596	0	31	-2.0	-101.54	308.20	4.01	-97.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C)C2=C1	REAL300000537597	1	37	-2.0	-107.66	330.45	5.77	-101.89
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C21	REAL300000537598	1	38	-2.0	-93.34	346.09	5.28	-88.06
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000537599	0	35	-2.0	-105.66	321.67	4.35	-101.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)=C1	REAL300000537601	0	34	-2.0	-97.84	324.13	4.68	-93.16
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000537602	1	40	-2.0	-108.85	346.48	6.32	-102.53
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C21	REAL300000537603	0	31	-2.0	-102.99	306.67	4.03	-98.96
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)=CC(C(=O)[O-])=C1OC	REAL300000537604	1	42	-2.0	-107.72	373.34	4.80	-102.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000537605	1	38	-2.0	-113.04	342.31	5.06	-107.98
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)C=C21	REAL300000537606	1	44	-2.0	-111.48	370.26	7.62	-103.86
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C)C2=C1	REAL300000537607	1	43	-2.0	-109.88	368.92	7.01	-102.87
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C)C2=C1	REAL300000537608	1	40	-2.0	-105.94	345.17	6.73	-99.21
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C)C2=C1	REAL300000537609	0	41	-2.0	-113.08	365.45	5.56	-107.52
CN1N=CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C21	REAL300000537610	0	37	-2.0	-110.86	345.92	5.55	-105.31
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C=C21	REAL300000537610	1	36	-3.0	-182.11	343.42	5.56	-176.55
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C21	REAL300000537611	1	41	-2.0	-111.86	359.26	6.89	-104.97
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000537612	0	34	-2.0	-101.06	318.03	4.14	-96.92
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)C=C21	REAL300000537613	1	40	-2.0	-111.97	357.20	4.76	-107.21
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)=C1	REAL300000537614	0	38	-2.0	-108.40	344.00	4.09	-104.31
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)C=C21	REAL300000537615	1	42	-2.0	-94.56	368.65	5.61	-88.95
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)C=C21	REAL300000537616	0	34	-2.0	-99.39	332.62	5.58	-93.81
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)C=C21	REAL300000537617	1	38	-2.0	-91.90	362.11	5.81	-86.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)=CC=C1OCC(=O)[O-]	REAL300000537618	1	41	-2.0	-93.73	366.17	5.98	-87.75
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C)C2=C1	REAL300000537619	1	37	-2.0	-98.49	335.73	5.82	-92.67
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)C=C21	REAL300000537620	1	38	-2.0	-92.91	352.31	5.34	-87.57
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000537621	1	41	-2.0	-113.68	364.15	5.97	-107.71
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C(C(=O)[O-])S1	REAL300000537622	0	34	-2.0	-104.13	324.71	4.88	-99.25
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C21	REAL300000537623	0	34	-2.0	-92.63	328.07	5.55	-87.08
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C21	REAL300000537624	1	34	-2.0	-94.61	319.55	5.03	-89.58
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C21	REAL300000537625	0	31	-2.0	-96.67	307.29	4.12	-92.55
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C21	REAL300000537626	1	34	-2.0	-98.16	321.42	5.06	-93.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)=C1F	REAL300000537627	0	37	-2.0	-105.52	340.77	5.69	-99.83
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000537628	0	38	-2.0	-97.26	355.33	5.62	-91.64
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C21	REAL300000537629	0	34	-2.0	-94.50	320.48	5.06	-89.44
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C21	REAL300000537630	1	34	-2.0	-92.61	327.52	5.39	-87.22
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C)C2=C1	REAL300000537631	1	37	-2.0	-100.10	344.46	6.20	-93.90
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)C=C21	REAL300000537632	1	42	-2.0	-91.45	378.76	6.40	-85.05
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000537633	1	34	-2.0	-96.45	325.83	5.08	-91.37
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)C=C21	REAL300000537634	0	36	-2.0	-92.40	343.21	5.66	-86.74
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C21	REAL300000537635	0	35	-2.0	-106.51	324.73	2.70	-103.81
CN1N=CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C21	REAL300000537635	1	35	-2.0	-106.09	323.96	3.49	-102.60
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C21	REAL300000537636	1	37	-2.0	-99.50	337.20	5.78	-93.72
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)C=C21	REAL300000537637	1	34	-2.0	-97.84	335.72	5.52	-92.32
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C)C2=C1	REAL300000537638	1	37	-2.0	-103.69	325.08	5.63	-98.06
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000537639	1	37	-2.0	-106.08	339.85	5.64	-100.44
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C)C2=C1	REAL300000537640	1	37	-2.0	-95.16	330.43	5.77	-89.39
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000537641	1	40	-2.0	-111.43	352.52	6.19	-105.24
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C=C21	REAL300000537642	0	36	-2.0	-105.87	341.57	6.09	-99.78
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C21	REAL300000537643	0	34	-2.0	-95.98	326.77	5.12	-90.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C(C)=C1C(=O)[O-]	REAL300000537644	1	40	-2.0	-108.17	348.41	6.40	-101.77
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000537645	0	37	-2.0	-106.38	340.33	5.69	-100.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)=C1Cl	REAL300000537646	0	37	-2.0	-104.22	346.78	6.13	-98.09
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)=C1	REAL300000537647	0	37	-2.0	-112.36	340.05	5.68	-106.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000537648	1	40	-2.0	-109.01	348.98	6.18	-102.83
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C1CC(=O)[O-]	REAL300000537649	1	41	-2.0	-109.93	365.49	5.12	-104.81
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C)C2=C1	REAL300000537650	1	37	-2.0	-97.00	341.28	6.18	-90.82
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)C=C21	REAL300000537651	1	37	-2.0	-91.68	345.14	5.79	-85.89
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000537652	1	37	-2.0	-104.80	346.24	5.95	-98.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000537653	0	38	-2.0	-106.88	343.03	5.21	-101.67
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000537655	1	37	-2.0	-101.75	348.75	6.06	-95.69
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)C=C21	REAL300000537656	0	43	-2.0	-103.92	364.46	7.12	-96.80
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000537657	0	38	-2.0	-108.05	355.34	5.63	-102.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)=CC=C1C(=O)[O-]	REAL300000537658	1	37	-2.0	-95.15	331.03	5.53	-89.62
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])C=C21	REAL300000537659	0	39	-2.0	-100.39	358.28	7.18	-93.21
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C)C2=C1	REAL300000537660	1	37	-2.0	-105.15	334.97	5.80	-99.35
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])C=C21	REAL300000537661	0	36	-2.0	-114.84	338.76	6.85	-107.99
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C21	REAL300000537662	0	34	-2.0	-111.60	318.68	5.03	-106.57
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C1C(=O)[O-]	REAL300000537663	1	37	-2.0	-99.91	339.96	5.67	-94.24
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C21	REAL300000537664	1	40	-2.0	-115.29	356.05	7.12	-108.17
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C21	REAL300000537665	0	33	-2.0	-104.83	311.23	3.12	-101.71
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=NN(C)C2=C1	REAL300000537666	0	38	-2.0	-99.18	343.21	4.80	-94.38
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C21	REAL300000537667	0	31	-2.0	-94.99	315.16	3.98	-91.01
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C21	REAL300000537668	1	41	-2.0	-101.37	361.14	6.88	-94.49
CN1N=CC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C21	REAL300000537669	1	41	-2.0	-105.23	360.45	6.88	-98.35
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C=NN(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000537670	0	37	-2.0	-100.81	337.15	4.99	-95.82
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000537671	0	34	-2.0	-101.35	337.38	4.70	-96.65
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000537672	0	34	-2.0	-92.32	332.81	4.67	-87.65
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000537673	0	34	-2.0	-104.44	332.84	4.65	-99.79
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1C	REAL300000537674	0	38	-2.0	-109.55	360.98	4.47	-105.08
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000537675	0	38	-2.0	-91.94	364.28	5.96	-85.98
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000537676	0	37	-2.0	-104.42	348.85	5.20	-99.22
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000537677	0	34	-2.0	-100.18	345.91	5.23	-94.95
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000537678	0	34	-2.0	-99.53	345.35	5.06	-94.47
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000537679	0	40	-2.0	-107.59	365.50	6.01	-101.58
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000537680	0	34	-2.0	-101.34	338.30	4.73	-96.61
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000537681	0	40	-2.0	-91.10	376.40	6.25	-84.85
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000537682	0	31	-2.0	-98.95	326.02	3.68	-95.27
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000537683	0	37	-2.0	-105.53	348.27	5.45	-100.08
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000537684	0	38	-2.0	-90.69	363.90	4.95	-85.74
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000537685	0	35	-2.0	-102.99	339.48	4.01	-98.98
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000537686	0	38	-2.0	-106.27	356.62	3.49	-102.78
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2C)=C1	REAL300000537687	0	34	-2.0	-94.66	341.94	4.35	-90.31
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000537688	0	40	-2.0	-108.02	368.28	6.09	-101.93
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000537689	0	31	-2.0	-99.52	324.48	3.70	-95.82
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000537690	0	38	-2.0	-110.42	360.12	4.73	-105.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1C	REAL300000537691	0	40	-2.0	-103.92	362.97	6.39	-97.53
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000537692	0	34	-2.0	-98.90	335.85	3.80	-95.10
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000537693	0	38	-2.0	-104.39	361.75	3.77	-100.62
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000537694	0	37	-2.0	-96.42	353.54	5.48	-90.94
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000537695	0	34	-2.0	-102.16	341.46	4.57	-97.59
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000537696	0	34	-2.0	-89.94	345.89	5.23	-84.71
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000537697	0	34	-2.0	-91.96	337.37	4.71	-87.25
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000537698	0	31	-2.0	-93.55	325.10	3.79	-89.76
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000537699	0	34	-2.0	-94.82	339.25	4.72	-90.10
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000537700	0	37	-2.0	-102.68	358.59	5.37	-97.31
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000537701	0	34	-2.0	-91.39	338.30	4.74	-86.65
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000537702	0	34	-2.0	-89.93	345.34	5.07	-84.86
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000537703	0	34	-2.0	-94.20	343.66	4.76	-89.44
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000537704	0	35	-2.0	-104.34	342.55	2.37	-101.97
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000537705	0	37	-2.0	-95.41	355.01	5.43	-89.98
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000537706	0	37	-2.0	-99.78	342.87	5.31	-94.47
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000537707	0	37	-2.0	-103.65	357.68	5.32	-98.33
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000537708	0	37	-2.0	-92.74	348.24	5.44	-87.30
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000537709	0	40	-2.0	-106.23	365.71	5.73	-100.50
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000537710	0	34	-2.0	-93.20	344.58	4.79	-88.41
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000537711	0	40	-2.0	-104.12	366.36	6.07	-98.05
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000537712	0	37	-2.0	-103.57	358.15	5.36	-98.21
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000537713	0	37	-2.0	-107.85	357.88	5.36	-102.49
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000537714	0	40	-2.0	-105.06	367.16	5.85	-99.21
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2C)C=C1C(=O)[O-]	REAL300000537715	0	38	-2.0	-104.19	360.86	4.88	-99.31
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000537716	0	37	-2.0	-92.33	348.84	5.21	-87.12
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000537717	0	37	-2.0	-103.45	352.37	5.50	-97.95
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000537718	0	34	-2.0	-107.05	336.47	4.69	-102.36
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000537719	0	37	-2.0	-97.24	357.79	5.34	-91.90
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000537720	0	33	-2.0	-101.20	329.82	2.72	-98.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC(F)(F)F)N=C1C	REAL300000537721	0	38	-2.0	-96.21	361.04	4.46	-91.75
CC1=NN(CC(F)(F)F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000537722	0	31	-2.0	-92.71	332.95	3.64	-89.07
CCC1=C(S(=O)(=O)[N-]C2=CN(CC(F)(F)F)N=C2C)C=C(C(=O)[O-])O1	REAL300000537723	0	37	-2.0	-98.82	354.96	4.65	-94.17
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537724	1	40	-2.0	-111.82	367.99	7.59	-104.23
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537725	1	37	-2.0	-111.18	352.56	6.81	-104.37
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000537728	0	31	-2.0	-115.15	306.27	6.45	-108.70
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000537729	0	34	-2.0	-95.92	330.44	5.80	-90.12
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000537730	0	30	-2.0	-98.73	309.64	4.79	-93.94
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000537731	1	32	-2.0	-105.13	318.59	6.56	-98.57
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000537732	1	32	-2.0	-101.12	318.57	6.55	-94.57
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000537733	0	31	-2.0	-104.35	320.00	6.74	-97.61
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000537734	0	34	-2.0	-99.40	329.94	6.67	-92.73
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000537736	1	40	-2.0	-106.68	360.59	6.10	-100.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1[N+](=O)[O-]	REAL300000537737	1	36	-2.0	-106.12	341.97	7.35	-98.77
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000537738	1	34	-2.0	-100.28	336.50	7.16	-93.12
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000537740	0	34	-2.0	-104.82	325.37	6.65	-98.17
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537741	0	39	-2.0	-116.25	355.51	5.24	-111.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1OC	REAL300000537742	1	39	-2.0	-106.38	356.52	5.37	-101.01
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537744	0	33	-2.0	-97.92	312.70	5.08	-92.84
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000537745	1	31	-2.0	-99.40	329.68	7.14	-92.26
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000537746	0	34	-2.0	-98.22	325.43	6.64	-91.58
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000537746	1	33	-3.0	-173.76	326.24	6.72	-167.04
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000537747	1	31	-2.0	-98.55	310.47	6.28	-92.27
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000537748	0	31	-2.0	-104.71	327.63	7.24	-97.47
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000537749	1	34	-2.0	-104.32	336.51	7.16	-97.16
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537750	1	34	-2.0	-108.70	319.18	6.83	-101.87
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000537752	0	34	-2.0	-110.83	323.64	7.53	-103.30
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000537753	1	31	-2.0	-104.67	314.50	6.68	-97.99
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1	REAL300000537754	1	36	-2.0	-106.69	338.23	6.55	-100.14
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000537757	1	31	-2.0	-98.70	320.36	6.73	-91.97
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537758	1	36	-2.0	-117.61	339.04	6.56	-111.05
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537760	0	37	-2.0	-120.31	343.01	7.55	-112.76
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1	REAL300000537761	1	40	-2.0	-102.63	374.39	7.75	-94.88
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000537762	0	31	-2.0	-106.08	326.09	7.17	-98.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537766	0	37	-3.0	-180.14	354.38	6.52	-173.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537766	1	38	-2.0	-95.03	352.35	6.44	-88.59
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000537767	0	38	-2.0	-102.57	356.06	7.93	-94.64
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000537767	1	37	-3.0	-159.75	357.68	8.01	-151.74
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300000537768	0	31	-2.0	-109.08	321.37	7.49	-101.59
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000537769	0	28	-2.0	-100.52	306.75	5.79	-94.73
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537771	0	35	-2.0	-114.68	326.02	5.95	-108.73
CC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000537772	0	37	-2.0	-122.55	340.84	7.14	-115.41
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000537773	0	31	-2.0	-102.04	315.83	6.35	-95.69
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000537774	1	31	-2.0	-99.59	331.23	7.19	-92.40
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000537775	0	31	-2.0	-109.08	310.91	6.72	-102.36
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000537776	1	33	-2.0	-105.24	325.99	6.83	-98.41
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537777	1	36	-2.0	-105.71	341.48	7.60	-98.11
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000537778	0	28	-2.0	-106.10	289.70	5.16	-100.94
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000537780	0	33	-2.0	-118.66	318.86	7.58	-111.08
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000537783	0	31	-2.0	-103.67	309.67	6.29	-97.38
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000537784	1	31	-2.0	-104.81	304.18	6.23	-98.58
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000537785	1	31	-2.0	-98.92	310.59	6.30	-92.62
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000537787	1	37	-2.0	-108.10	342.26	5.32	-102.78
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537789	1	46	-2.0	-110.10	389.47	9.25	-100.85
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000537790	1	31	-2.0	-101.73	314.49	6.68	-95.05
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000537791	0	33	-2.0	-96.89	326.01	6.83	-90.06
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000537792	1	31	-2.0	-108.11	297.76	6.16	-101.95
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1	REAL300000537793	1	38	-2.0	-113.46	353.83	5.05	-108.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)S1	REAL300000537794	0	31	-2.0	-107.02	311.59	5.96	-101.06
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000537795	0	40	-2.0	-121.31	357.01	7.97	-113.34
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537796	0	35	-2.0	-107.89	342.76	6.47	-101.42
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000537797	0	33	-3.0	-171.33	331.71	6.78	-164.55
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300000537799	1	36	-2.0	-103.15	336.01	7.42	-95.73
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000537800	0	31	-2.0	-107.12	309.67	6.29	-100.83
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000537801	0	40	-2.0	-101.69	369.04	8.23	-93.46
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000537801	1	39	-3.0	-159.37	369.79	8.31	-151.06
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1	REAL300000537802	1	41	-2.0	-113.27	374.41	5.87	-107.40
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000537803	1	35	-2.0	-104.13	333.51	2.98	-101.15
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1	REAL300000537804	1	35	-2.0	-105.73	337.98	7.18	-98.55
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000537805	1	36	-2.0	-105.00	339.79	4.62	-100.38
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000537806	1	39	-2.0	-106.04	357.59	5.35	-100.69
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000537808	0	30	-3.0	-166.70	319.42	5.74	-160.96
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000537809	1	34	-2.0	-103.71	329.51	3.66	-100.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537810	0	37	-2.0	-119.91	341.14	7.51	-112.40
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537811	0	37	-2.0	-106.04	335.39	5.24	-100.80
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300000537812	1	39	-2.0	-105.20	359.20	8.16	-97.04
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1	REAL300000537813	1	37	-2.0	-103.08	352.53	6.82	-96.26
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1	REAL300000537814	1	38	-2.0	-107.30	354.20	4.44	-102.86
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537815	0	40	-2.0	-116.07	369.93	7.83	-108.24
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000537816	1	35	-2.0	-107.31	332.26	2.94	-104.37
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000537818	1	37	-2.0	-110.42	343.71	8.45	-101.97
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=CS1	REAL300000537819	0	34	-2.0	-116.86	337.35	6.46	-110.40
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000537822	0	38	-2.0	-102.90	355.74	6.92	-95.98
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000537825	0	31	-2.0	-111.89	303.27	6.22	-105.67
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000537826	1	36	-2.0	-103.89	340.15	6.68	-97.21
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537827	0	37	-2.0	-120.41	350.64	4.76	-115.65
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(Cl)=C(C(=O)[O-])C=C3C)=C2N=C1	REAL300000537828	0	39	-2.0	-122.91	359.12	7.43	-115.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C(Cl)=C1	REAL300000537830	0	34	-2.0	-108.84	332.31	7.39	-101.45
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300000537832	1	39	-2.0	-105.23	360.61	6.59	-98.64
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300000537834	1	37	-2.0	-105.05	351.89	6.12	-98.93
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000537836	0	31	-2.0	-101.38	317.30	6.79	-94.59
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000537839	0	35	-2.0	-99.26	333.08	6.05	-93.21
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000537839	1	34	-3.0	-171.30	332.88	6.07	-165.23
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000537840	0	31	-2.0	-114.02	315.24	5.72	-108.30
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000537841	0	36	-2.0	-106.01	339.72	2.33	-103.68
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000537842	0	38	-2.0	-121.88	348.46	5.47	-116.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000537845	1	35	-2.0	-104.26	333.50	5.54	-98.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1C(N)=O	REAL300000537848	1	38	-2.0	-103.04	348.36	3.61	-99.43
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000537850	0	31	-2.0	-104.85	302.32	3.87	-100.98
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300000537851	1	36	-2.0	-97.01	341.48	7.60	-89.41
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CN1C	REAL300000537852	0	39	-2.0	-106.43	361.65	3.82	-102.61
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537853	1	34	-2.0	-105.09	329.98	7.45	-97.64
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537857	0	33	-3.0	-162.15	335.36	6.41	-155.74
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000537858	1	32	-2.0	-98.23	333.99	6.97	-91.26
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000537859	1	32	-2.0	-98.88	334.01	6.96	-91.92
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000537860	0	40	-2.0	-119.95	355.66	7.97	-111.98
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000537861	1	35	-2.0	-112.61	336.13	6.53	-106.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000537862	1	34	-2.0	-105.22	333.24	7.27	-97.95
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000537863	0	31	-2.0	-108.61	319.43	6.72	-101.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000537865	1	34	-2.0	-105.13	324.49	6.87	-98.26
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537867	0	34	-2.0	-112.03	324.68	6.89	-105.14
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537868	1	34	-2.0	-105.30	319.66	7.00	-98.30
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300000537869	0	36	-2.0	-120.02	331.40	8.42	-111.60
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300000537870	1	41	-2.0	-117.39	369.58	6.02	-111.37
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000537871	0	30	-3.0	-168.64	317.88	5.76	-162.88
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000537871	1	31	-2.0	-98.50	318.41	5.73	-92.77
COC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000537872	0	38	-2.0	-103.02	351.89	6.70	-96.32
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000537874	0	33	-2.0	-112.07	325.25	7.65	-104.42
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537877	0	35	-2.0	-111.12	328.96	4.52	-106.60
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537877	1	35	-2.0	-104.69	323.44	5.33	-99.36
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000537878	0	28	-2.0	-102.44	279.35	2.56	-99.88
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537879	0	40	-2.0	-118.50	353.34	7.77	-110.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537879	1	39	-3.0	-174.31	355.64	8.43	-165.88
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)S1	REAL300000537880	0	34	-2.0	-101.18	345.65	5.92	-95.26
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1C	REAL300000537881	0	39	-2.0	-117.98	357.28	8.77	-109.21
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000537882	1	35	-2.0	-100.63	335.57	6.54	-94.09
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000537883	0	31	-2.0	-105.30	312.69	6.52	-98.78
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000537884	0	33	-3.0	-165.98	329.24	5.87	-160.11
CC1=C(S(=O)(=O)NC2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000537884	1	34	-2.0	-114.28	327.97	5.40	-108.88
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000537885	0	34	-2.0	-127.57	325.96	5.36	-122.21
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537886	0	41	-2.0	-116.26	369.30	7.54	-108.72
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000537887	1	36	-2.0	-118.10	346.10	6.33	-111.77
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000537888	0	33	-2.0	-122.31	323.79	7.79	-114.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537889	0	37	-3.0	-175.11	355.20	5.82	-169.29
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537889	1	38	-2.0	-102.68	352.79	5.33	-97.35
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000537890	0	38	-2.0	-105.93	358.34	7.28	-98.65
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000537891	0	30	-2.0	-98.86	299.18	4.44	-94.42
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537892	0	34	-2.0	-106.45	345.82	5.83	-100.62
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537893	1	39	-2.0	-104.88	355.56	8.53	-96.35
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300000537894	1	36	-2.0	-108.92	333.93	6.58	-102.34
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000537895	0	30	-2.0	-99.83	322.92	5.28	-94.55
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000537896	0	31	-2.0	-114.98	301.79	5.27	-109.71
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC(Cl)=C(C(=O)[O-])C=C3C)C=C12	REAL300000537898	1	39	-2.0	-102.31	364.08	5.89	-96.42
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(Cl)=C(C(=O)[O-])C=C3C)C=C12	REAL300000537899	0	35	-2.0	-98.42	337.52	3.14	-95.28
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000537900	0	31	-2.0	-109.40	309.54	6.29	-103.11
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000537901	0	35	-2.0	-110.41	335.76	5.75	-104.66
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000537902	0	37	-2.0	-113.22	340.90	5.81	-107.41
CC1=NC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CN1C	REAL300000537903	0	34	-2.0	-116.30	321.30	5.06	-111.24
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000537904	0	35	-2.0	-110.11	335.77	6.23	-103.88
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537905	1	40	-2.0	-110.79	374.42	7.74	-103.05
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=N1	REAL300000537906	0	34	-2.0	-105.04	323.85	4.74	-100.30
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537907	1	38	-2.0	-109.90	352.84	5.88	-104.02
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000537908	1	36	-2.0	-106.18	333.76	5.46	-100.72
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000537909	0	31	-2.0	-104.70	317.30	6.79	-97.91
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000537911	1	35	-2.0	-101.75	342.07	3.01	-98.74
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537912	0	31	-2.0	-102.96	298.16	3.21	-99.75
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537913	1	35	-2.0	-109.76	327.27	5.46	-104.30
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000537915	0	31	-2.0	-112.75	302.61	3.70	-109.05
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000537916	0	31	-2.0	-99.48	298.00	3.80	-95.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000537920	0	34	-2.0	-111.44	324.68	6.90	-104.54
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000537922	0	28	-2.0	-113.40	279.08	3.57	-109.83
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)O1	REAL300000537923	0	34	-2.0	-101.34	337.32	4.96	-96.38
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000537924	0	36	-2.0	-123.06	337.71	6.79	-116.27
CC1=C(S(=O)(=O)NC2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])S1	REAL300000537925	0	34	-2.0	-116.65	333.55	6.16	-110.49
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])S1	REAL300000537925	1	33	-3.0	-170.89	334.86	6.62	-164.27
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1C	REAL300000537926	1	40	-2.0	-109.35	362.60	7.45	-101.90
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537927	0	35	-2.0	-109.90	340.38	6.02	-103.88
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300000537928	0	33	-2.0	-99.34	328.42	5.39	-93.95
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537929	0	37	-2.0	-115.20	355.93	3.76	-111.44
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1	REAL300000537931	1	40	-2.0	-113.23	374.71	7.61	-105.62
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537933	0	43	-2.0	-106.77	376.89	6.78	-99.99
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)SC=C1	REAL300000537934	0	31	-2.0	-107.16	305.99	5.98	-101.18
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1C	REAL300000537935	0	40	-2.0	-106.36	356.28	6.07	-100.29
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1C	REAL300000537936	1	40	-2.0	-103.32	368.57	7.35	-95.97
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300000537937	0	36	-2.0	-97.32	341.98	7.34	-89.98
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000537938	1	39	-2.0	-119.56	357.36	4.61	-114.95
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537939	1	35	-2.0	-105.44	334.04	7.32	-98.12
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300000537940	1	43	-2.0	-107.30	348.05	8.77	-98.53
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CC=C1C	REAL300000537941	1	41	-2.0	-124.37	372.36	5.96	-118.41
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537942	0	35	-2.0	-109.42	335.41	6.63	-102.79
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1C	REAL300000537943	1	35	-2.0	-101.22	334.02	7.32	-93.90
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000537945	0	32	-2.0	-103.70	324.07	6.61	-97.09
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(Cl)=C(C(=O)[O-])C=C3C)C=C2O1	REAL300000537946	1	36	-2.0	-105.47	341.42	3.82	-101.65
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000537947	0	37	-2.0	-104.90	342.53	5.24	-99.66
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000537948	1	36	-2.0	-108.19	338.73	6.55	-101.64
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=N1	REAL300000537949	0	37	-2.0	-110.84	357.13	4.93	-105.91
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000537950	0	37	-2.0	-113.43	341.57	4.62	-108.81
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1[N+](=O)[O-]	REAL300000537951	0	34	-2.0	-109.21	339.60	7.96	-101.25
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000537954	1	31	-2.0	-93.57	316.76	6.34	-87.23
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300000537955	1	42	-2.0	-105.40	380.38	8.00	-97.40
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CN1C	REAL300000537957	0	38	-2.0	-110.51	358.94	6.27	-104.24
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000537959	0	34	-2.0	-108.79	329.90	6.69	-102.10
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000537959	1	33	-3.0	-158.51	330.75	6.76	-151.75
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1	REAL300000537960	1	41	-2.0	-115.75	365.39	6.41	-109.34
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000537962	0	30	-3.0	-160.85	318.48	5.85	-155.00
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000537963	0	40	-2.0	-114.52	362.31	7.14	-107.38
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000537964	0	34	-2.0	-114.85	330.99	6.70	-108.15
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000537964	1	33	-3.0	-163.96	332.64	6.79	-157.17
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CN1	REAL300000537965	0	35	-2.0	-108.18	341.17	4.51	-103.67
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000537966	0	33	-3.0	-158.89	331.69	6.79	-152.10
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000537966	1	34	-2.0	-101.61	329.83	6.33	-95.28
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000537967	1	34	-2.0	-104.08	318.56	6.96	-97.12
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CC=C1C	REAL300000537968	1	40	-2.0	-105.22	368.59	7.34	-97.88
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CS1	REAL300000537969	0	34	-2.0	-106.89	345.04	5.86	-101.03
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)S1	REAL300000537970	0	33	-2.0	-104.34	323.00	4.73	-99.61
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000537971	1	35	-2.0	-113.72	340.02	7.34	-106.38
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300000537972	1	39	-2.0	-96.44	356.12	8.50	-87.94
CC(=O)NC1=CC(S(=O)(=O)NC2=CC(Cl)=C(C(=O)[O-])C=C2C)=CC=C1[O-]	REAL300000537973	1	39	-2.0	-102.05	358.78	3.01	-99.04
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537974	1	37	-2.0	-108.97	340.66	7.59	-101.38
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537975	1	34	-2.0	-104.69	325.59	6.89	-97.80
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537976	0	37	-2.0	-102.31	355.67	5.62	-96.69
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000537977	1	37	-2.0	-104.51	349.17	5.21	-99.30
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C(F)C=C1F	REAL300000537979	0	34	-2.0	-103.72	329.96	6.92	-96.80
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000537980	1	37	-2.0	-115.64	338.81	8.48	-107.16
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000537981	0	33	-2.0	-104.93	329.76	5.65	-99.28
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000537982	0	34	-3.0	-174.40	335.95	4.43	-169.97
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000537982	1	34	-3.0	-171.75	330.42	5.25	-166.50
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000537983	1	41	-2.0	-111.66	353.09	8.78	-102.88
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000537984	0	37	-2.0	-101.88	347.64	7.43	-94.45
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000537984	1	36	-3.0	-164.37	348.42	7.50	-156.87
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)O1	REAL300000537985	0	37	-2.0	-101.49	359.18	5.89	-95.60
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000537986	0	33	-2.0	-97.48	332.40	6.90	-90.58
COC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)SC=C1	REAL300000537987	0	32	-2.0	-115.95	319.94	4.46	-111.49
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)OC2=CC=C(F)C=C12	REAL300000537988	0	37	-2.0	-106.00	354.52	7.27	-98.73
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000537989	0	34	-2.0	-108.85	327.54	6.55	-102.30
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C2N=C(C)C=CC2=CC=C1	REAL300000537990	0	39	-2.0	-124.72	359.28	7.39	-117.33
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000537991	0	33	-2.0	-111.75	331.02	4.92	-106.83
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000537992	0	31	-2.0	-97.27	312.75	5.11	-92.16
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000537993	0	31	-2.0	-110.12	317.95	4.99	-105.13
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000537994	1	39	-2.0	-110.42	356.76	4.77	-105.65
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000537995	0	32	-2.0	-111.49	313.61	4.90	-106.59
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300000537996	0	39	-2.0	-119.71	348.85	8.97	-110.74
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000537997	0	32	-2.0	-99.16	319.99	3.98	-95.18
CC1=NC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)S1	REAL300000537998	0	30	-2.0	-103.60	306.30	3.99	-99.61
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000537999	0	37	-2.0	-99.42	335.29	7.34	-92.08
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000538001	0	37	-2.0	-106.72	339.68	7.42	-99.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000538002	0	34	-2.0	-106.93	329.96	6.93	-100.00
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000538003	0	40	-2.0	-97.82	356.95	7.68	-90.14
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000538004	0	34	-2.0	-104.39	343.10	7.65	-96.74
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000538006	0	30	-2.0	-105.07	316.73	5.61	-99.46
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000538007	0	37	-2.0	-114.19	343.21	6.56	-107.63
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=N1	REAL300000538008	0	36	-2.0	-99.43	348.51	4.99	-94.44
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000538009	0	30	-2.0	-97.64	323.21	5.34	-92.30
CC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C(C(=O)[O-])C=C2C)C(C)=C1C(=O)[O-]	REAL300000538010	0	40	-2.0	-103.25	358.87	8.06	-95.19
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538011	1	39	-2.0	-117.75	360.85	7.43	-110.32
COCCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=N1	REAL300000538012	0	38	-2.0	-103.41	357.52	3.79	-99.62
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C([N+](=O)[O-])=N1	REAL300000538013	0	36	-2.0	-111.80	348.09	7.00	-104.80
CCC1=CC=C(S(=O)(=O)NC2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000538014	0	40	-2.0	-123.11	358.91	7.82	-115.29
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000538015	0	42	-2.0	-105.13	374.93	4.71	-100.42
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000538017	0	40	-2.0	-107.28	370.76	7.82	-99.46
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538018	0	37	-2.0	-114.43	345.26	6.90	-107.53
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000538019	0	39	-2.0	-103.46	355.81	3.91	-99.55
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1F	REAL300000538020	0	34	-2.0	-112.67	323.58	6.87	-105.80
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=N1	REAL300000538021	1	37	-2.0	-101.12	346.81	3.79	-97.33
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000538022	0	38	-2.0	-116.76	343.55	6.21	-110.55
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1	REAL300000538023	1	38	-2.0	-107.75	352.85	5.89	-101.86
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538024	0	36	-2.0	-112.03	337.04	3.15	-108.88
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300000538025	0	34	-2.0	-109.87	329.63	7.30	-102.57
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C(C)O1	REAL300000538027	0	34	-2.0	-105.97	320.72	5.74	-100.23
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300000538028	0	37	-2.0	-112.27	344.03	3.83	-108.44
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538030	1	38	-2.0	-106.63	344.39	6.19	-100.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)O1	REAL300000538032	0	31	-2.0	-106.54	302.37	4.98	-101.56
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538033	0	34	-2.0	-107.81	329.98	6.52	-101.29
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000538034	1	34	-2.0	-104.38	323.82	4.82	-99.56
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300000538035	0	39	-2.0	-123.34	351.40	7.93	-115.41
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000538036	0	37	-2.0	-117.94	347.04	8.17	-109.77
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000538037	0	33	-2.0	-95.18	330.50	6.85	-88.33
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000538038	1	31	-2.0	-99.29	320.92	6.75	-92.54
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C(C)O1	REAL300000538039	0	37	-2.0	-102.83	355.60	5.73	-97.10
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000538040	0	30	-2.0	-99.09	309.52	4.86	-94.23
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)N=C1C	REAL300000538041	0	37	-2.0	-116.12	343.38	5.97	-110.15
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538042	0	34	-2.0	-109.36	332.31	7.39	-101.97
CCN1C=C(S(=O)(=O)NC2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000538043	0	38	-2.0	-99.86	355.18	6.92	-92.94
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000538043	1	37	-3.0	-172.68	354.25	6.94	-165.74
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538044	0	34	-2.0	-105.62	337.65	4.91	-100.71
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538045	0	43	-2.0	-107.26	377.25	6.73	-100.53
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538046	1	39	-2.0	-102.45	357.46	8.09	-94.36
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000538047	0	31	-2.0	-112.18	313.82	6.97	-105.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C(Cl)=N1	REAL300000538048	0	33	-2.0	-106.47	327.66	5.48	-100.99
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538049	0	36	-2.0	-106.81	346.82	6.35	-100.46
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)S1	REAL300000538050	0	33	-2.0	-103.28	327.78	4.74	-98.54
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(Cl)=C(C(=O)[O-])C=C3C)C=C12	REAL300000538051	0	38	-2.0	-97.84	359.01	3.87	-93.97
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)S1	REAL300000538052	0	33	-2.0	-102.12	335.90	6.49	-95.63
COC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CN=C1Cl	REAL300000538053	0	34	-2.0	-97.52	338.62	4.12	-93.40
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000538054	0	33	-2.0	-97.38	332.50	5.40	-91.98
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538055	0	46	-2.0	-106.29	397.03	7.65	-98.64
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000538057	0	32	-2.0	-101.41	331.65	7.11	-94.30
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000538058	0	34	-2.0	-115.84	325.70	6.48	-109.36
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538059	0	36	-2.0	-103.99	347.72	5.02	-98.97
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000538060	0	28	-2.0	-101.09	302.15	4.89	-96.20
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300000538061	1	39	-2.0	-106.65	357.46	8.11	-98.54
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538062	0	41	-2.0	-114.53	361.31	7.92	-106.61
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538064	0	31	-2.0	-101.04	326.76	6.39	-94.65
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000538065	1	34	-2.0	-113.39	331.94	7.09	-106.30
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000538066	0	34	-2.0	-104.46	335.70	5.07	-99.39
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538067	1	35	-2.0	-114.30	333.86	7.22	-107.08
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300000538068	1	40	-2.0	-110.86	351.77	8.16	-102.70
COC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CC=C1F	REAL300000538069	1	35	-2.0	-100.83	333.49	5.53	-95.30
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000538070	0	28	-2.0	-105.66	280.45	4.16	-101.50
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000538071	0	30	-2.0	-94.53	291.19	2.62	-91.91
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000538072	1	36	-2.0	-102.52	342.12	5.30	-97.22
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000538073	0	30	-2.0	-99.06	318.94	5.92	-93.14
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1	REAL300000538075	1	39	-2.0	-109.14	364.94	4.38	-104.76
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000538076	0	35	-2.0	-108.75	325.75	5.60	-103.15
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000538077	0	32	-2.0	-105.10	331.67	7.12	-97.98
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000538078	0	34	-2.0	-105.15	341.73	5.24	-99.91
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538079	1	37	-2.0	-107.32	327.26	7.86	-99.46
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538080	0	39	-2.0	-120.90	351.75	6.67	-114.23
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1F	REAL300000538082	0	34	-2.0	-112.37	317.37	7.13	-105.24
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000538083	0	35	-2.0	-119.91	336.17	6.25	-113.66
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538084	0	44	-2.0	-106.39	387.95	7.63	-98.76
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=C(C)C=CN=C12	REAL300000538085	0	39	-2.0	-122.89	355.66	7.34	-115.55
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000538086	0	32	-2.0	-113.72	322.54	4.47	-109.25
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538087	0	34	-2.0	-104.34	322.34	3.64	-100.70
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300000538090	1	41	-2.0	-106.95	368.43	6.02	-100.93
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538091	0	40	-2.0	-121.01	364.83	8.48	-112.53
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)S1	REAL300000538092	0	34	-2.0	-110.84	342.72	3.65	-107.19
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)S1	REAL300000538092	1	33	-3.0	-165.63	339.44	2.52	-163.11
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000538093	1	35	-2.0	-110.40	324.16	7.42	-102.98
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000538094	1	35	-2.0	-113.64	340.01	7.33	-106.31
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000538095	0	31	-2.0	-102.11	327.63	7.23	-94.88
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C(N)=NO1	REAL300000538097	0	32	-2.0	-97.79	305.31	3.52	-94.27
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538098	0	35	-2.0	-111.03	342.76	6.46	-104.57
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000538099	0	32	-2.0	-103.27	325.27	4.94	-98.33
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538100	1	38	-2.0	-110.26	342.73	6.23	-104.03
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000538102	0	29	-2.0	-99.00	310.29	5.71	-93.29
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=N1	REAL300000538103	0	33	-2.0	-104.91	314.37	5.00	-99.91
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000538104	0	36	-2.0	-107.22	338.96	6.53	-100.69
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CC=C1C#N	REAL300000538105	1	35	-2.0	-100.73	337.76	7.05	-93.68
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000538106	0	30	-2.0	-93.98	315.51	4.85	-89.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000538108	0	35	-2.0	-108.95	332.75	5.52	-103.43
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300000538109	0	39	-2.0	-119.14	358.55	9.35	-109.79
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000538111	1	34	-2.0	-105.10	329.95	7.03	-98.07
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)N(C)N=C1	REAL300000538113	0	34	-2.0	-100.26	314.64	4.63	-95.63
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000538114	0	29	-2.0	-99.40	301.70	4.71	-94.69
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000538115	0	28	-2.0	-104.27	288.88	5.08	-99.19
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000538116	0	28	-2.0	-104.63	280.30	4.05	-100.58
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538117	0	42	-2.0	-116.48	381.10	5.67	-110.81
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000538118	0	37	-2.0	-102.57	341.03	7.21	-95.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=N1	REAL300000538119	1	34	-2.0	-101.22	324.94	2.85	-98.37
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000538120	0	31	-2.0	-107.01	320.00	6.74	-100.27
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300000538121	0	34	-2.0	-109.03	334.29	7.53	-101.50
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300000538122	0	42	-2.0	-119.12	375.49	7.39	-111.73
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000538123	0	34	-2.0	-112.13	324.37	4.79	-107.34
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538124	1	38	-2.0	-109.84	349.13	6.38	-103.46
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000538125	0	31	-2.0	-108.57	320.14	7.02	-101.55
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC(Cl)=C(C(=O)[O-])C=C3C)C=C2C=C1	REAL300000538126	1	40	-2.0	-110.00	365.07	9.10	-100.90
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000538127	0	28	-2.0	-107.34	305.75	5.62	-101.72
CC1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538128	0	31	-2.0	-106.04	311.34	5.82	-100.22
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000538129	0	28	-2.0	-103.10	296.05	2.97	-100.13
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000538130	0	30	-2.0	-101.51	304.67	4.28	-97.23
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000538131	0	40	-2.0	-102.00	362.29	5.23	-96.77
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000538132	1	40	-2.0	-101.58	366.94	4.72	-96.86
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000538134	0	34	-2.0	-103.35	333.96	6.62	-96.73
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538135	0	36	-2.0	-116.20	338.86	5.76	-110.44
CC1=NSC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538136	0	30	-2.0	-100.21	306.26	4.45	-95.76
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000538139	0	28	-2.0	-109.86	296.05	5.21	-104.65
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300000538140	0	34	-2.0	-106.37	336.41	5.01	-101.36
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000538141	1	40	-2.0	-107.08	362.61	7.76	-99.32
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000538142	1	32	-2.0	-98.33	324.49	6.59	-91.74
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000538145	0	31	-2.0	-99.07	330.35	6.35	-92.72
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000538146	0	28	-2.0	-107.50	279.39	2.75	-104.75
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000538147	0	36	-2.0	-112.59	334.76	3.09	-109.50
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)S1	REAL300000538148	0	34	-2.0	-108.22	327.88	6.79	-101.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CN=C1C	REAL300000538149	0	39	-2.0	-99.79	364.01	5.51	-94.28
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000538150	0	33	-2.0	-98.58	325.32	5.53	-93.05
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538151	1	40	-2.0	-114.30	374.72	7.60	-106.70
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=NN1C	REAL300000538153	0	34	-2.0	-106.37	318.44	4.40	-101.97
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1	REAL300000538154	1	35	-2.0	-108.05	328.84	7.25	-100.80
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538155	0	34	-2.0	-105.65	321.15	4.52	-101.13
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000538156	0	31	-2.0	-103.71	313.42	3.69	-100.02
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000538157	0	37	-2.0	-100.26	344.07	6.09	-94.17
COC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CC=C1Cl	REAL300000538159	1	35	-2.0	-101.41	343.29	6.02	-95.39
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000538160	0	33	-3.0	-177.67	329.87	6.74	-170.93
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000538161	0	28	-2.0	-110.76	297.13	4.17	-106.59
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000538162	0	33	-2.0	-117.69	328.96	5.58	-112.11
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000538163	1	36	-2.0	-110.13	333.57	6.00	-104.13
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000538164	0	37	-2.0	-114.82	348.29	8.48	-106.34
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000538165	0	34	-2.0	-109.05	324.90	7.66	-101.39
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000538166	0	36	-2.0	-117.01	334.08	6.00	-111.01
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000538171	0	34	-2.0	-114.14	327.69	7.13	-107.01
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000538172	0	30	-2.0	-99.90	322.81	5.35	-94.55
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000538173	1	36	-2.0	-107.03	341.62	4.62	-102.41
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538175	0	35	-2.0	-111.29	332.43	6.01	-105.28
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1[N+](=O)[O-]	REAL300000538176	1	39	-2.0	-105.97	360.33	8.00	-97.97
COC1=NC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000538178	0	34	-2.0	-98.21	341.03	3.39	-94.82
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538179	0	30	-2.0	-98.11	296.53	4.08	-94.03
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CC=C1Cl	REAL300000538180	1	34	-2.0	-102.40	333.25	7.26	-95.14
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000538181	1	37	-2.0	-116.37	345.86	7.15	-109.22
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C([N+](=O)[O-])S1	REAL300000538182	0	33	-2.0	-113.07	332.35	7.35	-105.72
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000538184	1	34	-2.0	-102.65	339.77	4.35	-98.30
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000538185	0	30	-2.0	-109.07	298.27	4.34	-104.73
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000538187	0	30	-2.0	-98.01	299.18	4.31	-93.70
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000538190	1	31	-2.0	-99.09	320.36	6.73	-92.36
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000538191	0	40	-2.0	-113.11	359.49	6.53	-106.58
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000538192	0	39	-2.0	-117.03	349.95	7.38	-109.65
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538195	1	38	-2.0	-117.90	353.70	3.60	-114.30
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)N(C)N=C1	REAL300000538198	0	37	-2.0	-107.12	347.01	5.23	-101.89
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538200	1	44	-2.0	-110.24	387.80	7.82	-102.42
CCC1=NC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CN1CC1CC1	REAL300000538203	0	44	-2.0	-116.37	396.48	8.13	-108.24
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)O1	REAL300000538204	0	37	-2.0	-101.83	355.21	5.54	-96.29
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000538205	0	34	-2.0	-104.05	337.52	5.66	-98.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C(C)=C1[N+](=O)[O-]	REAL300000538206	1	39	-2.0	-102.99	361.84	8.48	-94.51
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300000538207	0	34	-2.0	-94.11	339.38	4.78	-89.33
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000538208	0	30	-2.0	-102.22	315.13	4.77	-97.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C(F)=C1F	REAL300000538209	0	34	-2.0	-109.29	329.85	6.94	-102.35
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)OC=C1	REAL300000538210	0	34	-2.0	-115.18	331.16	5.53	-109.65
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000538212	0	33	-2.0	-120.93	326.13	5.06	-115.87
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C(C)=N1	REAL300000538213	0	43	-2.0	-105.31	385.68	6.93	-98.38
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000538214	0	32	-3.0	-171.19	322.44	4.85	-166.34
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538215	0	35	-2.0	-107.75	327.50	6.18	-101.57
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000538216	1	43	-2.0	-104.61	375.99	8.42	-96.19
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000538217	1	32	-2.0	-99.32	325.02	6.62	-92.70
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300000538218	0	34	-2.0	-102.38	330.91	4.79	-97.59
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000538219	0	33	-2.0	-118.67	320.94	5.35	-113.32
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000538219	1	33	-2.0	-105.50	321.04	5.22	-100.28
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300000538220	0	35	-2.0	-114.03	331.51	6.14	-107.89
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000538221	0	41	-2.0	-103.56	358.77	6.28	-97.28
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000538222	0	43	-2.0	-104.90	364.72	6.71	-98.19
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000538223	0	41	-2.0	-104.79	365.18	6.51	-98.28
CC1=CC(C(=O)[O-])=C(Cl)C=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000538224	0	32	-2.0	-97.61	308.43	4.72	-92.89
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000538224	1	32	-2.0	-106.94	313.96	3.92	-103.02
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538226	0	34	-2.0	-120.07	328.78	3.83	-116.24
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538227	0	37	-2.0	-105.77	338.61	5.26	-100.51
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000538228	1	36	-2.0	-107.30	345.06	6.73	-100.57
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000538229	0	31	-2.0	-100.21	302.97	3.52	-96.69
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000538230	1	34	-2.0	-103.26	336.98	7.12	-96.14
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000538232	1	38	-2.0	-111.35	361.52	8.12	-103.23
COC1=NSC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538234	0	31	-2.0	-97.54	317.02	1.96	-95.58
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000538236	0	27	-2.0	-100.19	284.51	3.86	-96.33
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538238	0	37	-3.0	-164.20	354.44	6.52	-157.68
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538238	1	38	-2.0	-98.35	352.34	6.45	-91.90
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C(C(N)=O)O1	REAL300000538239	0	35	-2.0	-106.79	337.27	1.78	-105.01
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538240	1	40	-2.0	-108.06	348.93	8.66	-99.40
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000538241	0	31	-2.0	-102.21	318.01	6.08	-96.13
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000538242	0	30	-3.0	-159.55	326.34	5.71	-153.84
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000538243	1	36	-2.0	-115.60	334.01	6.67	-108.93
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538244	0	38	-2.0	-108.40	359.18	6.36	-102.04
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000538245	0	32	-2.0	-109.59	323.60	6.58	-103.01
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000538246	0	38	-2.0	-104.97	347.67	5.84	-99.13
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000538247	0	38	-2.0	-101.70	345.06	6.05	-95.65
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000538248	0	41	-2.0	-101.61	367.17	6.75	-94.86
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300000538249	0	42	-2.0	-112.68	372.82	4.17	-108.51
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000538250	1	37	-2.0	-105.39	348.49	3.39	-102.00
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000538251	0	28	-2.0	-104.78	298.44	4.89	-99.89
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000538252	1	35	-2.0	-97.40	343.64	5.71	-91.69
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000538253	0	38	-2.0	-108.08	342.15	6.19	-101.89
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000538254	0	35	-2.0	-105.12	338.95	5.60	-99.52
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538255	1	34	-2.0	-104.35	322.50	6.84	-97.51
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000538256	0	39	-2.0	-118.02	355.03	6.75	-111.27
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000538257	0	39	-2.0	-104.16	366.45	5.82	-98.34
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300000538258	1	39	-2.0	-109.97	366.03	8.37	-101.60
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538259	0	35	-2.0	-109.61	334.25	6.82	-102.79
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000538260	0	28	-2.0	-105.02	303.20	5.60	-99.42
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000538261	0	33	-2.0	-98.16	331.67	5.33	-92.83
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538262	0	36	-2.0	-121.06	339.49	5.75	-115.31
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000538263	1	32	-2.0	-97.05	312.65	4.94	-92.11
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000538264	0	34	-2.0	-109.00	336.61	7.59	-101.41
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000538265	0	38	-2.0	-100.72	349.71	5.88	-94.84
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1OC	REAL300000538267	0	39	-2.0	-112.44	353.55	6.08	-106.36
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C21	REAL300000538268	0	34	-2.0	-109.06	327.54	6.45	-102.61
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300000538269	0	44	-2.0	-108.76	386.52	7.07	-101.69
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000538270	0	38	-2.0	-108.02	353.04	6.10	-101.92
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000538272	0	34	-2.0	-114.52	327.20	5.38	-109.14
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000538273	0	36	-2.0	-123.77	342.31	4.57	-119.20
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000538274	0	38	-2.0	-108.95	335.51	8.05	-100.90
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=CN=C1N	REAL300000538275	1	35	-2.0	-106.92	325.78	3.87	-103.05
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538276	0	31	-2.0	-104.58	315.06	2.04	-102.54
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)N=CN1	REAL300000538277	0	31	-2.0	-114.39	296.88	4.27	-110.12
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000538279	1	34	-2.0	-105.58	331.49	6.54	-99.04
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000538280	0	41	-2.0	-108.17	369.29	6.57	-101.60
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000538281	0	28	-2.0	-104.67	303.61	5.70	-98.97
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000538282	0	41	-2.0	-105.27	371.74	6.81	-98.46
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000538283	0	35	-2.0	-111.99	335.91	7.28	-104.71
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538284	1	40	-2.0	-109.10	362.16	8.37	-100.73
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538285	0	37	-2.0	-99.04	354.05	4.51	-94.53
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000538286	0	38	-2.0	-104.42	343.49	5.69	-98.73
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000538288	0	40	-2.0	-99.50	344.81	6.05	-93.45
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000538289	0	40	-2.0	-105.66	362.26	5.88	-99.78
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000538290	0	38	-2.0	-105.48	346.35	5.26	-100.22
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000538291	0	42	-2.0	-104.65	372.04	6.99	-97.66
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000538292	1	34	-2.0	-107.39	325.75	6.98	-100.41
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000538293	0	31	-2.0	-106.00	319.30	6.55	-99.45
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000538294	0	31	-2.0	-99.60	329.51	6.26	-93.34
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538295	0	34	-2.0	-100.25	319.95	4.38	-95.87
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000538298	1	34	-2.0	-116.84	318.27	7.43	-109.41
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538299	1	42	-2.0	-117.20	382.35	8.19	-109.01
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1	REAL300000538301	1	40	-2.0	-107.94	376.18	7.81	-100.13
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000538302	0	32	-2.0	-107.01	330.40	7.01	-100.00
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000538303	0	31	-2.0	-107.01	317.78	6.40	-100.61
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000538304	1	38	-2.0	-109.02	346.99	8.27	-100.75
COC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=CS1	REAL300000538305	0	32	-2.0	-111.26	320.03	4.60	-106.66
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000538306	0	38	-2.0	-110.16	352.49	8.33	-101.83
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000538307	0	41	-2.0	-102.11	362.54	6.77	-95.34
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538308	0	40	-2.0	-101.40	357.70	6.06	-95.34
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1	REAL300000538309	1	40	-2.0	-113.80	368.97	3.68	-110.12
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000538310	0	36	-2.0	-116.36	341.38	4.52	-111.84
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)O1	REAL300000538311	0	34	-2.0	-106.58	323.85	5.77	-100.81
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000538312	0	31	-2.0	-99.82	321.63	5.39	-94.43
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538313	0	35	-2.0	-104.10	338.72	6.08	-98.02
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000538314	1	37	-2.0	-107.12	350.99	7.69	-99.43
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000538315	1	35	-2.0	-107.00	337.02	5.74	-101.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)S1	REAL300000538316	0	32	-2.0	-104.26	321.56	4.62	-99.64
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000538317	0	34	-2.0	-102.79	330.44	4.87	-97.92
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538318	1	41	-2.0	-110.09	374.69	6.85	-103.24
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000538319	0	44	-2.0	-104.47	384.16	7.11	-97.36
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000538320	1	34	-2.0	-109.69	319.47	7.09	-102.60
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN21	REAL300000538321	0	34	-2.0	-109.45	323.27	6.57	-102.88
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000538322	1	33	-2.0	-108.69	328.71	5.55	-103.14
CCN1N=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=N1	REAL300000538323	0	33	-2.0	-104.54	318.48	3.04	-101.50
CCN1N=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1Cl	REAL300000538324	0	34	-2.0	-102.97	339.44	5.10	-97.87
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000538325	0	28	-2.0	-100.78	297.52	4.78	-96.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C2=CC=CC=C12	REAL300000538326	1	40	-2.0	-116.26	356.54	9.00	-107.26
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000538328	0	31	-2.0	-101.78	325.29	6.77	-95.01
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000538330	0	35	-2.0	-107.31	341.59	7.48	-99.83
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300000538331	1	34	-2.0	-98.55	343.23	6.97	-91.58
CC1=COC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538333	0	31	-2.0	-105.84	302.35	4.84	-101.00
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=NN1	REAL300000538334	0	37	-2.0	-105.15	358.13	3.96	-101.19
COC1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1OC	REAL300000538335	0	36	-2.0	-109.49	350.77	4.17	-105.32
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000538336	0	30	-2.0	-93.66	315.40	4.80	-88.86
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000538337	0	37	-2.0	-104.77	342.19	6.10	-98.67
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000538338	1	38	-2.0	-113.84	351.50	7.92	-105.92
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000538339	0	31	-2.0	-102.63	317.62	4.23	-98.40
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000538340	1	37	-2.0	-119.35	335.62	7.98	-111.37
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000538341	0	29	-2.0	-107.99	301.93	4.61	-103.38
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300000538342	0	33	-2.0	-99.20	325.52	5.56	-93.64
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538343	1	42	-2.0	-110.56	381.11	7.77	-102.79
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C(C2CC2)=N1	REAL300000538344	0	41	-2.0	-108.28	374.57	6.96	-101.32
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300000538345	0	35	-2.0	-114.46	336.01	5.51	-108.95
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538347	0	44	-2.0	-102.94	384.46	7.37	-95.57
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000538348	0	28	-2.0	-103.94	296.56	4.67	-99.27
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000538349	0	28	-2.0	-101.36	306.58	5.67	-95.69
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000538350	0	39	-2.0	-101.55	350.06	3.91	-97.64
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000538351	1	38	-2.0	-111.76	341.32	8.32	-103.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C(C)=N1	REAL300000538354	1	37	-2.0	-101.23	340.62	3.59	-97.64
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538355	0	37	-2.0	-111.19	345.18	3.97	-107.22
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538356	0	34	-2.0	-105.43	340.49	3.82	-101.61
COC1=NC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1C	REAL300000538357	1	37	-2.0	-101.98	345.09	3.58	-98.40
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000538358	0	40	-2.0	-105.22	365.17	6.26	-98.96
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538359	0	40	-2.0	-105.85	361.38	5.90	-99.95
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000538360	0	29	-2.0	-106.90	300.73	4.57	-102.33
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000538361	0	29	-2.0	-111.09	309.82	5.50	-105.59
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000538362	0	37	-2.0	-100.85	339.49	5.44	-95.41
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C1C	REAL300000538363	0	39	-2.0	-99.80	364.55	5.54	-94.26
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300000538364	0	34	-2.0	-112.87	339.60	7.97	-104.90
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000538365	0	38	-2.0	-100.73	349.97	6.28	-94.45
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000538366	0	38	-2.0	-105.84	349.72	7.37	-98.47
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=NN1C(C)C	REAL300000538368	0	40	-2.0	-106.85	360.86	5.97	-100.88
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000538369	0	33	-2.0	-107.20	327.00	5.28	-101.92
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300000538371	0	35	-2.0	-108.91	348.23	6.64	-102.27
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000538372	1	32	-2.0	-107.94	308.79	3.31	-104.63
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538373	1	40	-2.0	-112.89	365.07	7.89	-105.00
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000538374	0	34	-2.0	-110.23	335.44	7.09	-103.14
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000538375	0	27	-2.0	-98.55	283.42	3.77	-94.78
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000538376	0	35	-2.0	-117.05	345.66	5.43	-111.62
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C(=O)[O-])C=C1C	REAL300000538377	0	36	-2.0	-114.84	338.56	5.76	-109.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C2=NC=CC=C12	REAL300000538378	0	39	-2.0	-123.48	355.50	7.32	-116.16
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000538379	0	36	-3.0	-166.26	346.26	6.66	-159.60
CCC1=C(S(=O)(=O)NC2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000538379	1	37	-2.0	-113.92	348.38	6.19	-107.73
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538380	0	44	-2.0	-117.07	387.21	8.15	-108.92
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)C=C(Cl)S1	REAL300000538381	0	31	-2.0	-101.22	324.32	6.55	-94.67
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000538382	0	27	-2.0	-102.61	284.36	3.28	-99.33
CC1=CC(C(=O)[O-])=C(Cl)C=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000538383	0	38	-2.0	-107.68	343.49	5.49	-102.19
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C(=O)[O-])C=C2C)=C1	REAL300000538384	0	34	-2.0	-112.03	324.68	6.89	-105.14
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000538385	1	32	-2.0	-104.38	322.33	6.63	-97.75
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000538386	1	32	-2.0	-100.32	322.31	6.63	-93.69
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=C(C(=O)[O-])C=C1C	REAL300000538387	0	33	-2.0	-97.27	316.44	5.16	-92.11
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)=C1	REAL300000538388	1	34	-2.0	-107.96	322.92	6.90	-101.06
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000538393	0	28	-2.0	-105.28	293.44	5.24	-100.04
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000538395	1	31	-2.0	-104.06	307.92	6.30	-97.76
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000538396	1	31	-2.0	-107.37	301.50	6.24	-101.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)S1	REAL300000538397	0	31	-2.0	-106.25	315.33	6.04	-100.21
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000538400	0	31	-2.0	-111.16	307.01	6.30	-104.86
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000538401	0	31	-2.0	-104.12	306.05	3.95	-100.17
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000538402	0	28	-2.0	-101.62	283.09	2.64	-98.98
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000538403	0	30	-2.0	-98.14	302.91	4.52	-93.62
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000538404	0	31	-2.0	-114.29	305.52	5.34	-108.95
CC1=NC(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)=CN1C	REAL300000538405	0	34	-2.0	-115.52	325.03	5.13	-110.39
CCN1C=C(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)C=N1	REAL300000538406	0	34	-2.0	-104.27	327.59	4.81	-99.46
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(Br)=C(C(=O)[O-])C=C1C	REAL300000538407	0	31	-2.0	-102.25	301.89	3.29	-98.96
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000538409	0	31	-2.0	-112.03	306.34	3.78	-108.25
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000538410	0	31	-2.0	-98.77	301.75	3.88	-94.89
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000538414	0	28	-2.0	-112.58	282.81	3.64	-108.94
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)SC=C1	REAL300000538416	0	31	-2.0	-106.47	309.73	6.06	-100.41
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)=C1	REAL300000538419	1	37	-2.0	-108.28	344.40	7.67	-100.61
CC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)S1	REAL300000538420	0	30	-2.0	-102.89	310.03	4.06	-98.83
CC1=CC(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)=C(C)O1	REAL300000538424	0	34	-2.0	-105.20	324.46	5.81	-99.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)O1	REAL300000538425	0	31	-2.0	-105.85	306.10	5.06	-100.79
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000538426	0	28	-2.0	-104.91	284.19	4.24	-100.67
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000538427	0	30	-2.0	-93.84	294.93	2.70	-91.14
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)C(N)=NO1	REAL300000538430	0	32	-2.0	-97.07	309.04	3.61	-93.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)C=N1	REAL300000538432	0	33	-2.0	-104.14	318.10	5.07	-99.07
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)N(C)N=C1	REAL300000538435	0	34	-2.0	-99.51	318.37	4.71	-94.80
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000538436	0	29	-2.0	-98.69	305.43	4.79	-93.90
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000538437	1	28	-2.0	-103.46	292.62	5.15	-98.31
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000538438	0	28	-2.0	-103.81	284.04	4.13	-99.68
CC1=CSC(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)=C1	REAL300000538439	0	31	-2.0	-105.33	315.07	5.90	-99.43
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000538440	0	28	-2.0	-102.28	299.79	3.05	-99.23
CC1=NSC(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)=C1	REAL300000538441	0	30	-2.0	-99.48	310.00	4.53	-94.95
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000538443	0	28	-2.0	-109.02	299.78	5.28	-103.74
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000538446	0	28	-2.0	-106.78	283.13	2.82	-103.96
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)C=NN1C	REAL300000538447	0	34	-2.0	-105.60	322.17	4.47	-101.13
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(Br)=C(C(=O)[O-])C=C1C	REAL300000538449	0	34	-2.0	-104.87	324.89	4.60	-100.27
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(Br)=C(C(=O)[O-])C=C1C	REAL300000538453	0	30	-2.0	-97.40	300.27	4.14	-93.26
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000538454	0	30	-2.0	-108.37	302.01	4.42	-103.95
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000538456	0	30	-2.0	-97.25	302.92	4.39	-92.86
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000538458	0	31	-2.0	-99.48	306.71	3.60	-95.88
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000538459	0	27	-2.0	-99.40	288.25	3.94	-95.46
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)N=CN1	REAL300000538460	0	31	-2.0	-113.67	300.62	4.35	-109.32
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)=C1	REAL300000538462	0	34	-2.0	-99.48	323.68	4.46	-95.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)O1	REAL300000538464	0	34	-2.0	-105.81	327.59	5.84	-99.97
CCN1N=CC(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)=N1	REAL300000538465	0	33	-2.0	-103.83	322.21	3.11	-100.72
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000538466	0	28	-2.0	-100.07	301.25	4.86	-95.21
CC1=COC(S(=O)(=O)[N-]C2=CC(Br)=C(C(=O)[O-])C=C2C)=C1	REAL300000538467	0	31	-2.0	-105.13	306.09	4.91	-100.22
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000538468	0	29	-2.0	-107.17	305.66	4.69	-102.48
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000538469	0	28	-2.0	-103.13	300.30	4.75	-98.38
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000538470	0	29	-2.0	-106.10	304.50	4.64	-101.46
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000538471	1	32	-2.0	-107.23	312.53	3.38	-103.85
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000538472	0	27	-2.0	-97.69	287.16	3.85	-93.84
CC1=CC(C(=O)[O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000538473	0	27	-2.0	-101.89	288.10	3.35	-98.54
CC1CN(S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538479	0	38	-2.0	-94.09	346.73	7.28	-86.81
CC1CN(S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538486	0	38	-2.0	-100.39	346.27	8.16	-92.23
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538494	0	38	-2.0	-101.65	341.71	8.13	-93.52
CC1CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538500	0	38	-2.0	-117.35	341.74	8.12	-109.23
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)C2=CC(C(=O)[O-])=CC=C21	REAL300000538521	0	42	-2.0	-114.90	365.29	7.99	-106.91
CC1CN(S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538522	0	42	-2.0	-104.66	373.19	9.42	-95.24
CC1=CC=C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000538527	0	41	-2.0	-119.41	361.81	8.77	-110.64
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C2=CC=C(C(=O)[O-])C=C21	REAL300000538538	0	38	-2.0	-107.18	348.62	8.43	-98.75
CC1CN(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538539	0	38	-2.0	-97.50	354.24	8.52	-88.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)=C1C	REAL300000538555	0	44	-2.0	-110.35	376.47	9.53	-100.82
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=CC=C(C(=O)[O-])C=C21	REAL300000538558	0	38	-2.0	-105.89	343.19	8.06	-97.83
CC1CN(S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538563	0	44	-2.0	-100.71	385.30	9.72	-90.99
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538570	0	35	-2.0	-109.39	334.92	7.15	-102.24
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)C2=CC(C(=O)[O-])=CC=C21	REAL300000538573	0	41	-2.0	-116.95	349.65	8.57	-108.38
CC1CN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538586	0	42	-2.0	-101.53	372.81	8.41	-93.12
CC1CN(S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538610	0	39	-2.0	-113.64	348.38	7.48	-106.16
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)C2=CC(C(=O)[O-])=CC=C21	REAL300000538613	0	42	-2.0	-118.70	358.41	6.62	-112.08
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000538630	0	38	-2.0	-97.44	350.85	7.81	-89.63
CC1=CC(C)=C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000538633	0	44	-2.0	-117.17	366.02	9.13	-108.04
CC1CN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538649	0	35	-2.0	-113.07	333.39	7.17	-105.90
COC1=CC=C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000538651	0	42	-2.0	-104.88	369.01	8.19	-96.69
CC1=CC=C([O-])C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000538660	1	39	-2.0	-96.41	336.33	6.86	-89.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)C2=CC(C(=O)[O-])=CC=C21	REAL300000538662	0	44	-2.0	-109.04	375.61	9.88	-99.16
CC1=C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])O1	REAL300000538668	0	38	-2.0	-110.69	339.18	7.10	-103.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000538676	0	42	-2.0	-117.72	360.60	7.34	-110.38
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)C2=CC(C(=O)[O-])=CC=C21	REAL300000538694	0	41	-2.0	-103.18	364.12	9.00	-94.18
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)S1	REAL300000538712	1	41	-2.0	-98.43	369.84	4.54	-93.89
CC1=C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])S1	REAL300000538725	0	38	-2.0	-114.24	344.45	7.80	-106.44
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C2=CC=C(C(=O)[O-])C=C21	REAL300000538767	0	38	-2.0	-97.35	348.59	8.41	-88.94
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538768	0	38	-2.0	-104.82	346.25	8.16	-96.66
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538772	0	35	-2.0	-97.71	334.00	7.26	-90.45
CC1CN(S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538774	0	38	-2.0	-108.96	348.16	8.19	-100.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)=C1F	REAL300000538775	0	41	-2.0	-97.18	360.48	8.57	-88.61
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=CC=C(C(=O)[O-])C=C21	REAL300000538777	0	38	-2.0	-101.01	340.11	7.93	-93.08
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538778	0	38	-2.0	-101.02	354.22	8.53	-92.49
CC(=O)NC1=CC(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)=CC=C1[O-]	REAL300000538786	1	43	-2.0	-102.24	375.29	4.50	-97.74
CC1CN(S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538795	0	38	-2.0	-96.52	352.57	8.22	-88.30
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=C(C(=O)[O-])C=C21	REAL300000538800	0	38	-3.0	-173.21	343.30	6.78	-166.43
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=CC=C(C(=O)[O-])C=C21	REAL300000538800	1	39	-2.0	-99.91	345.69	5.94	-93.97
CC1CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000538802	0	41	-2.0	-101.14	363.91	8.91	-92.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC(C)C2=CC(C(=O)[O-])=CC=C21	REAL300000538823	0	41	-2.0	-100.01	344.17	8.43	-91.58
CC1=CC(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)=CC(C(=O)[O-])=C1F	REAL300000538825	0	41	-2.0	-118.98	366.57	8.78	-110.20
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC(C)C2=CC(C(=O)[O-])=CC=C21	REAL300000538826	0	41	-2.0	-102.69	358.66	8.97	-93.72
CC1=CC(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000538831	0	44	-2.0	-99.68	374.61	9.19	-90.49
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C2=CC=C(C(=O)[O-])C=C21	REAL300000538835	0	38	-2.0	-98.54	349.49	8.13	-90.41
CC1=CC=C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)C(C)=C1C(=O)[O-]	REAL300000538841	0	44	-2.0	-104.36	368.78	9.19	-95.17
CC1=CC(F)=C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000538842	0	41	-2.0	-105.93	359.27	8.60	-97.33
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000538843	0	41	-2.0	-122.49	359.75	8.56	-113.93
CCC1=CC=C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000538847	0	44	-2.0	-99.14	375.97	9.31	-89.83
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC(C)C2=CC(C(=O)[O-])=CC=C21	REAL300000538852	0	41	-2.0	-102.11	354.62	7.71	-94.40
COC1=CC=C([O-])C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000538861	1	40	-2.0	-96.74	344.39	5.48	-91.26
CCN1C=C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000538882	0	42	-2.0	-114.74	369.76	8.35	-106.39
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)S1	REAL300000538949	1	38	-2.0	-96.66	354.92	3.93	-92.73
CC1=CC(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)=CC=C1C(=O)[O-]	REAL300000538985	0	41	-2.0	-100.37	357.74	8.67	-91.70
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)C2=CC(C(=O)[O-])=CC=C21	REAL300000539024	0	41	-2.0	-117.76	354.08	8.60	-109.16
CC1CN(S(=O)(=O)C2=NC=C[N-]2)C2=CC=C(C(=O)[O-])C=C21	REAL300000539029	0	32	-2.0	-96.08	291.36	3.66	-92.42
CC1CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=CC=C(C(=O)[O-])C=C21	REAL300000539057	0	38	-2.0	-102.27	341.34	8.03	-94.24
CC1=C(F)C=C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)C=C1C(=O)[O-]	REAL300000539075	0	41	-2.0	-95.50	366.69	8.80	-86.70
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=C(C(=O)[O-])C=C21	REAL300000539129	0	37	-2.0	-97.53	337.97	6.26	-91.27
CC1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C2=CC=C(C(=O)[O-])C=C21	REAL300000539142	0	36	-2.0	-91.08	321.32	6.27	-84.81
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC(C)C2=CC(C(=O)[O-])=CC=C21	REAL300000539159	0	42	-2.0	-99.84	361.93	7.99	-91.85
CC1CN(S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=CC=C(C(=O)[O-])C=C21	REAL300000539164	0	35	-2.0	-95.72	332.81	6.74	-88.98
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)=C1	REAL300000539275	1	41	-2.0	-95.76	369.97	5.24	-90.52
CCOC(=O)C1=CC(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)=N[N-]1	REAL300000539275	1	41	-2.0	-95.75	370.07	5.23	-90.52
CCC1=C(S(=O)(=O)N2CC(C)C3=CC(C(=O)[O-])=CC=C32)C=C(C(=O)[O-])O1	REAL300000539330	0	41	-2.0	-105.53	367.00	8.03	-97.50
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000539336	0	41	-2.0	-117.10	372.63	8.29	-108.81
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000539337	0	41	-2.0	-106.73	368.09	8.27	-98.46
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000539338	0	41	-2.0	-120.16	368.11	8.26	-111.90
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000539339	0	45	-2.0	-106.10	399.57	9.55	-96.55
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000539340	0	44	-2.0	-121.41	384.12	8.79	-112.62
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000539341	0	47	-2.0	-123.44	401.21	9.58	-113.86
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000539342	0	41	-2.0	-117.90	373.58	8.32	-109.58
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000539343	0	47	-2.0	-105.65	411.69	9.85	-95.80
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000539344	0	38	-2.0	-114.09	361.30	7.28	-106.81
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000539345	0	44	-2.0	-121.47	383.54	9.03	-112.44
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000539346	0	42	-2.0	-118.39	374.76	7.60	-110.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=C3C)C=C2)=C1	REAL300000539347	0	41	-2.0	-109.94	377.22	7.94	-102.00
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000539348	0	47	-2.0	-122.81	399.56	9.57	-113.24
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000539349	0	38	-2.0	-115.47	359.75	7.29	-108.18
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CC=C2C)C=C1	REAL300000539350	0	47	-2.0	-119.58	398.23	9.97	-109.61
CC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=C3C)C=C2)C=C(C(=O)[O-])O1	REAL300000539351	0	41	-2.0	-113.79	371.11	7.40	-106.39
CC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=C3C)C=C2)C=C(C(=O)[O-])S1	REAL300000539352	0	41	-2.0	-117.36	377.80	8.14	-109.22
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000539353	0	41	-2.0	-105.96	372.61	8.30	-97.66
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000539354	0	38	-2.0	-108.63	360.35	7.39	-101.24
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000539355	0	41	-2.0	-110.50	374.51	8.32	-102.18
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000539356	0	41	-2.0	-106.25	373.56	8.33	-97.92
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000539357	0	42	-2.0	-120.39	377.82	5.97	-114.42
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000539358	0	44	-2.0	-110.99	390.29	9.04	-101.95
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000539359	0	44	-2.0	-115.56	378.17	8.89	-106.67
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000539360	0	44	-2.0	-107.25	384.00	8.98	-98.27
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000539361	0	47	-2.0	-123.51	401.57	9.34	-114.17
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000539362	0	47	-2.0	-119.84	402.58	9.63	-110.21
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=C3C)C=C2)C=C1C(=O)[O-]	REAL300000539363	0	47	-2.0	-122.21	402.33	9.45	-112.76
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=C3C)C=C2)C=C1C(=O)[O-]	REAL300000539364	0	45	-2.0	-119.70	396.13	8.48	-111.22
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000539365	0	44	-2.0	-106.98	384.11	8.80	-98.18
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000539366	0	41	-2.0	-123.61	371.73	8.28	-115.33
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000539367	0	40	-2.0	-117.97	365.10	6.31	-111.66
CC1=CC=CC=C1CN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000539368	0	38	-2.0	-107.30	368.21	7.22	-100.08
CCC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=C3C)C=C2)C=C(C(=O)[O-])O1	REAL300000539369	0	44	-2.0	-113.64	390.22	8.25	-105.39
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Br	REAL300000539370	1	31	-2.0	-88.34	313.27	2.33	-86.01
COC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Br	REAL300000539371	0	31	-2.0	-99.93	313.27	2.33	-97.60
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Br	REAL300000539372	0	28	-2.0	-94.42	306.46	1.35	-93.07
COC1=NC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Br	REAL300000539373	0	32	-2.0	-98.42	319.91	1.69	-96.73
COC1=NC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Br	REAL300000539374	0	28	-2.0	-95.90	304.92	1.36	-94.54
COC1=NC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Br	REAL300000539375	0	31	-2.0	-94.66	316.28	1.48	-93.18
COC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Br	REAL300000539376	0	28	-2.0	-89.63	305.54	1.45	-88.18
COC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Br	REAL300000539377	0	30	-2.0	-97.30	309.49	0.45	-96.85
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000539378	0	37	-2.0	-82.19	344.05	2.30	-79.89
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000539379	0	30	-2.0	-97.21	292.11	3.75	-93.46
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000539380	0	38	-2.0	-98.68	347.20	4.82	-93.86
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000539381	0	30	-2.0	-94.65	304.00	4.43	-90.22
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000539382	0	34	-2.0	-104.40	315.72	3.53	-100.87
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300000539383	0	30	-2.0	-94.86	303.82	4.20	-90.66
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000539384	0	34	-2.0	-87.81	319.04	5.01	-82.80
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000539385	0	33	-2.0	-100.10	303.60	4.25	-95.85
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000539386	0	30	-2.0	-95.12	300.65	4.28	-90.84
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000539387	0	30	-2.0	-95.33	300.08	4.11	-91.22
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000539388	0	30	-2.0	-90.95	313.15	4.66	-86.29
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000539389	0	36	-2.0	-102.03	319.97	5.03	-97.00
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000539390	0	30	-2.0	-96.15	293.05	3.78	-92.37
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000539391	0	36	-2.0	-86.96	331.15	5.31	-81.65
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000539392	0	27	-2.0	-93.66	280.77	2.74	-90.92
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000539393	0	33	-2.0	-100.27	303.01	4.51	-95.76
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000539394	0	34	-2.0	-86.46	318.66	4.00	-82.46
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300000539395	0	41	-2.0	-83.20	364.43	4.78	-78.42
CCC1=NOC=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000539396	0	27	-2.0	-91.04	297.76	3.49	-87.55
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000539397	0	34	-2.0	-101.17	311.36	2.56	-98.61
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000539398	0	30	-2.0	-94.91	312.50	4.36	-90.55
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000539399	0	30	-2.0	-89.92	296.69	3.40	-86.52
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000539400	0	36	-2.0	-102.67	323.03	5.14	-97.53
CCC1=NOC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000539401	0	27	-2.0	-95.22	279.23	2.75	-92.47
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000539402	0	38	-2.0	-99.75	345.90	3.53	-96.22
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000539403	0	34	-2.0	-105.10	314.87	3.78	-101.32
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000539404	0	40	-2.0	-103.74	342.81	6.34	-97.40
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000539405	0	39	-2.0	-102.28	341.48	5.73	-96.55
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000539406	0	36	-2.0	-98.93	316.39	5.39	-93.54
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000539407	0	37	-2.0	-104.64	338.01	4.29	-100.35
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000539408	0	32	-3.0	-171.26	315.98	4.28	-166.98
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000539409	0	37	-2.0	-104.11	331.82	5.60	-98.51
CCC1=NOC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000539410	0	30	-2.0	-93.64	290.58	2.86	-90.78
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000539411	0	36	-2.0	-103.95	329.74	3.49	-100.46
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000539412	0	34	-2.0	-99.93	316.50	2.82	-97.11
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000539413	0	38	-2.0	-86.78	340.49	4.32	-82.46
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000539414	0	30	-2.0	-89.28	315.25	4.57	-84.71
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000539415	0	30	-2.0	-92.28	305.17	4.31	-87.97
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000539416	0	34	-2.0	-85.23	334.67	4.54	-80.69
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000539417	0	37	-2.0	-86.86	338.73	4.71	-82.15
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000539418	0	40	-2.0	-86.48	367.33	4.97	-81.51
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000539419	0	33	-2.0	-91.40	307.88	4.56	-86.84
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000539420	0	43	-2.0	-87.34	381.19	5.64	-81.70
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000539421	0	34	-2.0	-86.24	324.87	4.06	-82.18
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300000539422	0	40	-2.0	-86.04	377.13	5.45	-80.59
CCOC1=CC=C(S(=O)(=O)[N-]C2=CON=C2CC)C=C1C(=O)[O-]	REAL300000539423	0	37	-2.0	-105.70	336.71	4.69	-101.01
CCC1=NOC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000539424	0	30	-2.0	-97.04	296.20	3.61	-93.43
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000539425	0	30	-2.0	-89.15	315.81	4.73	-84.42
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000539426	0	30	-2.0	-85.26	300.64	4.28	-80.98
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300000539427	0	30	-2.0	-84.98	303.99	4.42	-80.56
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000539428	0	30	-2.0	-87.31	292.09	3.76	-83.55
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000539429	0	27	-2.0	-88.87	279.84	2.84	-86.03
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000539430	0	30	-2.0	-90.36	293.98	3.78	-86.58
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000539431	0	33	-2.0	-97.42	313.34	4.42	-93.00
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000539432	0	34	-2.0	-89.90	327.89	4.34	-85.56
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000539433	0	30	-2.0	-86.66	293.03	3.79	-82.87
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000539434	0	30	-2.0	-85.22	300.06	4.12	-81.10
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000539435	0	33	-2.0	-93.02	316.61	4.94	-88.08
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300000539436	0	33	-2.0	-89.25	318.41	5.00	-84.25
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000539437	0	38	-2.0	-85.00	351.32	5.13	-79.87
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300000539438	0	30	-2.0	-84.78	303.80	4.21	-80.57
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000539439	0	30	-2.0	-89.11	298.40	3.81	-85.30
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000539440	0	32	-2.0	-84.84	315.77	4.39	-80.45
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000539441	0	30	-3.0	-189.51	293.72	2.32	-187.19
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000539441	1	31	-2.0	-99.19	297.30	1.42	-97.77
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300000539442	0	33	-2.0	-94.31	325.46	4.88	-89.43
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000539443	0	33	-2.0	-90.98	309.75	4.50	-86.48
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000539444	0	30	-2.0	-90.42	308.28	4.25	-86.17
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000539445	0	33	-2.0	-95.35	297.62	4.35	-91.00
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300000539446	0	33	-2.0	-93.55	320.64	5.02	-88.53
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000539447	0	33	-2.0	-98.39	312.42	4.37	-94.02
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000539448	0	33	-2.0	-87.87	302.99	4.49	-83.38
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000539449	0	36	-2.0	-103.24	324.41	4.89	-98.35
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000539450	0	32	-2.0	-98.37	314.13	4.81	-93.56
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000539451	0	30	-2.0	-88.15	299.31	3.84	-84.31
CCC1=NOC=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000539452	0	27	-2.0	-86.54	300.16	3.39	-83.15
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000539453	0	36	-2.0	-99.56	321.11	5.12	-94.44
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000539454	0	33	-2.0	-98.27	312.89	4.41	-93.86
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000539455	0	33	-2.0	-96.73	319.34	4.85	-91.88
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000539456	0	33	-2.0	-103.48	312.59	4.41	-99.07
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000539457	0	36	-2.0	-100.75	321.90	4.90	-95.85
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300000539458	0	30	-2.0	-91.89	308.52	4.45	-87.44
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000539459	0	37	-2.0	-101.37	338.05	3.85	-97.52
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000539460	0	33	-2.0	-88.90	313.84	4.89	-84.01
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000539461	0	33	-2.0	-84.36	317.71	4.52	-79.84
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000539462	0	33	-2.0	-96.99	318.81	4.67	-92.32
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300000539463	0	30	-2.0	-92.10	308.87	4.33	-87.77
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300000539464	0	33	-2.0	-96.52	322.16	4.99	-91.53
CCC1=NOC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000539465	0	34	-2.0	-98.95	315.60	3.94	-95.01
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000539466	0	30	-2.0	-87.36	309.69	4.47	-82.89
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000539467	0	30	-2.0	-87.22	313.18	4.27	-82.95
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000539468	0	34	-2.0	-86.56	332.28	4.02	-82.54
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000539469	0	33	-2.0	-93.75	321.35	4.79	-88.96
CCC1=NOC=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000539470	0	39	-2.0	-97.21	336.73	5.83	-91.38
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000539471	0	34	-2.0	-100.79	327.91	4.35	-96.44
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000539472	0	33	-2.0	-89.08	307.65	4.36	-84.72
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000539473	0	35	-2.0	-91.93	330.83	5.91	-86.02
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000539474	0	33	-2.0	-98.37	307.11	4.55	-93.82
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000539475	0	32	-2.0	-105.81	311.32	5.58	-100.23
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000539476	0	30	-2.0	-102.86	291.21	3.74	-99.12
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000539477	0	33	-2.0	-92.00	312.53	4.39	-87.61
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000539478	0	36	-2.0	-107.09	328.62	5.84	-101.25
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000539479	0	34	-2.0	-91.40	315.77	3.53	-87.87
CCC1=NOC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000539480	0	27	-2.0	-87.69	287.68	2.68	-85.01
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300000539481	0	34	-2.0	-94.92	331.36	4.27	-90.65
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000539482	0	33	-2.0	-90.36	330.93	0.76	-89.60
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000539483	0	37	-2.0	-93.98	333.70	5.60	-88.38
CCC1=NOC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000539484	0	37	-2.0	-96.07	331.66	5.59	-90.48
CCC1=NOC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000539485	0	33	-2.0	-93.63	309.71	3.71	-89.92
CC1(C)CCC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000539487	1	50	-2.0	-113.33	395.24	9.18	-104.15
CC1(C)CCC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000539488	0	47	-2.0	-107.15	388.54	8.20	-98.95
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C=C1C(=O)[O-]	REAL300000539489	1	51	-2.0	-111.60	401.95	8.53	-103.07
CC1(C)CCC(C)(C)C2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000539490	1	47	-2.0	-108.66	386.89	8.21	-100.45
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C=C(C(=O)[O-])O1	REAL300000539491	0	50	-2.0	-106.41	398.36	8.33	-98.08
CC1(C)CCC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000539492	0	47	-2.0	-101.81	387.63	8.31	-93.50
CC1(C)CCC(C)(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000539493	0	49	-2.0	-111.04	391.53	7.30	-103.74
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1	REAL300000539494	1	37	-2.0	-83.98	353.90	3.77	-80.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CC=C1F	REAL300000539495	1	30	-2.0	-99.70	301.98	5.22	-94.48
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NSC2=C1	REAL300000539496	0	38	-2.0	-100.12	357.05	6.27	-93.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1	REAL300000539497	1	30	-2.0	-90.29	297.42	5.19	-85.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1	REAL300000539498	1	30	-2.0	-101.85	297.44	5.18	-96.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NSC2=C1	REAL300000539499	0	34	-2.0	-106.40	325.58	4.98	-101.42
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1	REAL300000539500	1	34	-2.0	-89.87	328.90	6.48	-83.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1C(=O)[O-]	REAL300000539501	1	33	-2.0	-102.90	313.45	5.72	-97.18
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1	REAL300000539502	0	30	-2.0	-97.06	310.50	5.76	-91.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CC=C1Cl	REAL300000539503	1	30	-2.0	-97.94	309.95	5.58	-92.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1C	REAL300000539504	1	36	-2.0	-103.93	329.83	6.50	-97.43
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1	REAL300000539505	0	30	-2.0	-98.58	302.91	5.25	-93.33
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1	REAL300000539506	1	36	-2.0	-89.22	341.01	6.77	-82.45
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1	REAL300000539507	0	27	-2.0	-96.43	290.62	4.20	-92.23
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NSC2=C1	REAL300000539508	1	33	-2.0	-102.14	312.87	5.98	-96.16
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1	REAL300000539509	1	34	-2.0	-88.50	328.51	5.47	-83.03
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1C(=O)[O-]	REAL300000539510	0	31	-2.0	-100.43	304.08	4.54	-95.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1	REAL300000539512	0	30	-2.0	-92.86	306.55	4.87	-87.99
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1C(=O)[O-]	REAL300000539513	1	36	-2.0	-103.58	328.51	6.53	-97.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CS1	REAL300000539514	0	27	-2.0	-97.85	289.09	4.23	-93.62
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000539515	1	38	-2.0	-102.57	355.77	4.99	-97.58
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1C(=O)[O-]	REAL300000539516	1	34	-2.0	-107.70	324.72	5.25	-102.45
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1	REAL300000539517	1	40	-2.0	-105.67	352.68	7.81	-97.86
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NSC2=C1	REAL300000539518	1	39	-2.0	-104.07	351.34	7.20	-96.87
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NSC2=C1	REAL300000539519	1	36	-2.0	-100.49	327.58	6.92	-93.57
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NSC2=C1	REAL300000539520	0	37	-2.0	-105.70	347.87	5.74	-99.96
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C3C=NSC3=C2)=CC(C(=O)[O-])=C1	REAL300000539521	0	33	-2.0	-113.34	332.56	5.61	-107.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CC(C(=O)[O-])=C1	REAL300000539521	1	32	-3.0	-176.55	325.85	5.75	-170.80
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1	REAL300000539522	1	37	-2.0	-106.01	341.68	7.08	-98.93
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C(C(=O)[O-])O1	REAL300000539523	0	30	-2.0	-95.97	300.48	4.32	-91.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CC2=C1OCCO2	REAL300000539524	1	36	-2.0	-106.70	339.61	4.96	-101.74
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1	REAL300000539525	0	34	-2.0	-103.74	326.35	4.28	-99.46
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C=NSC4=C3)C=C2C1	REAL300000539526	1	38	-2.0	-89.59	351.06	5.80	-83.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C(Cl)C=C1F	REAL300000539527	0	30	-2.0	-94.17	315.03	5.77	-88.40
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1Cl	REAL300000539528	1	34	-2.0	-87.22	344.54	6.01	-81.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CC=C1OCC(=O)[O-]	REAL300000539529	1	37	-2.0	-88.98	348.59	6.18	-82.80
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NSC2=C1	REAL300000539530	1	33	-2.0	-93.26	318.14	6.00	-87.26
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1F	REAL300000539531	1	34	-2.0	-88.28	334.74	5.53	-82.75
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1C(=O)[O-]	REAL300000539532	1	37	-2.0	-108.34	346.58	6.16	-102.18
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C(C(=O)[O-])S1	REAL300000539533	0	30	-2.0	-98.79	307.13	5.08	-93.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C(Cl)=C1	REAL300000539534	0	30	-2.0	-87.90	310.48	5.75	-82.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1F	REAL300000539535	1	30	-2.0	-89.98	301.97	5.23	-84.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)S1	REAL300000539536	0	27	-2.0	-91.58	289.70	4.31	-87.27
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1	REAL300000539537	1	30	-2.0	-93.10	303.84	5.25	-87.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1F	REAL300000539538	0	33	-2.0	-99.86	323.20	5.89	-93.97
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000539539	0	34	-2.0	-92.67	337.74	5.80	-86.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C(F)=C1	REAL300000539540	0	30	-2.0	-89.64	302.90	5.26	-84.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1Cl	REAL300000539541	1	30	-2.0	-87.90	309.94	5.59	-82.31
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NSC2=C1	REAL300000539542	1	33	-2.0	-94.79	326.88	6.39	-88.40
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1	REAL300000539543	1	38	-2.0	-86.74	361.18	6.60	-80.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CC(F)=C1F	REAL300000539544	1	30	-2.0	-91.62	308.26	5.28	-86.34
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1	REAL300000539545	0	32	-2.0	-87.57	325.63	5.85	-81.72
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1	REAL300000539546	0	31	-2.0	-100.89	307.15	2.90	-97.99
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3C=NSC3=C2)=C1	REAL300000539546	1	31	-2.0	-102.51	306.03	3.62	-98.89
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1	REAL300000539547	1	33	-2.0	-94.61	319.61	5.96	-88.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CC(Cl)=C1F	REAL300000539548	1	30	-2.0	-92.94	318.14	5.72	-87.22
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C=NSC2=C1	REAL300000539549	1	33	-2.0	-98.72	307.47	5.83	-92.89
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CC(C(=O)[O-])=C1F	REAL300000539550	1	33	-2.0	-101.02	322.27	5.84	-95.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=NSC2=C1	REAL300000539551	1	33	-2.0	-90.41	312.85	5.96	-84.45
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CC(C(=O)[O-])=C1C	REAL300000539552	1	36	-2.0	-106.02	334.93	6.39	-99.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CC=C1[N+](=O)[O-]	REAL300000539553	0	32	-2.0	-101.25	323.99	6.28	-94.97
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1	REAL300000539554	0	30	-2.0	-90.68	309.19	5.31	-85.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C(C)=C1C(=O)[O-]	REAL300000539555	1	36	-2.0	-103.17	330.82	6.59	-96.58
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1C(=O)[O-]	REAL300000539556	0	33	-2.0	-100.73	322.75	5.88	-94.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1Cl	REAL300000539557	0	33	-2.0	-98.72	329.20	6.32	-92.40
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1	REAL300000539558	0	33	-2.0	-107.20	322.47	5.88	-101.32
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1C(=O)[O-]	REAL300000539559	1	36	-2.0	-103.58	331.40	6.37	-97.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1CC(=O)[O-]	REAL300000539560	1	37	-2.0	-104.90	347.91	5.32	-99.58
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C=NSC2=C1	REAL300000539561	1	33	-2.0	-92.05	323.70	6.37	-85.68
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000539562	1	33	-2.0	-99.64	328.66	6.14	-93.50
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1C(=O)[O-]	REAL300000539563	0	34	-2.0	-101.64	325.46	5.41	-96.23
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1C(=O)[O-]	REAL300000539565	1	33	-2.0	-96.54	331.18	6.25	-90.29
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C(C(=O)[O-])S1	REAL300000539566	0	39	-2.0	-98.69	346.90	7.33	-91.36
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1C(=O)[O-]	REAL300000539567	0	34	-2.0	-102.62	337.76	5.82	-96.80
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CC=C1C(=O)[O-]	REAL300000539568	1	33	-2.0	-90.28	313.44	5.73	-84.55
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C([N+](=O)[O-])=C1	REAL300000539569	0	35	-2.0	-95.38	338.15	7.35	-88.03
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=NSC2=C1	REAL300000539570	1	33	-2.0	-100.19	316.97	6.03	-94.16
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1[N+](=O)[O-]	REAL300000539571	0	32	-2.0	-109.82	321.17	7.03	-102.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1F	REAL300000539572	0	30	-2.0	-106.55	301.10	5.22	-101.33
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C1C(=O)[O-]	REAL300000539573	1	33	-2.0	-94.81	322.37	5.86	-88.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=CC2=CC=CC=C21	REAL300000539574	1	36	-2.0	-109.88	338.48	7.31	-102.57
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C1	REAL300000539575	0	29	-2.0	-99.42	293.65	3.31	-96.11
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=NSC2=C1	REAL300000539576	0	34	-2.0	-94.09	325.63	4.99	-89.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)=C(Cl)O1	REAL300000539577	0	27	-2.0	-90.00	297.59	4.16	-85.84
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4C=NSC4=C3)C=C2)CC1	REAL300000539578	1	37	-2.0	-96.19	343.56	7.06	-89.13
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C=NSC4=C3)C=C2C1	REAL300000539579	1	37	-2.0	-100.34	342.88	7.06	-93.28
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C=NSC3=C2)C=C(C(=O)[O-])O1	REAL300000539580	0	33	-2.0	-95.68	319.57	5.18	-90.50
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1	REAL300000539581	0	40	-2.0	-98.91	361.71	1.56	-97.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC=C1F	REAL300000539582	0	33	-2.0	-115.69	309.76	3.01	-112.68
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCOCC2=C1	REAL300000539583	0	41	-2.0	-116.97	364.85	4.08	-112.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1	REAL300000539584	0	33	-2.0	-105.10	305.21	2.98	-102.12
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539585	0	33	-2.0	-117.97	305.23	2.97	-115.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCOCC2=C1	REAL300000539586	0	37	-2.0	-124.11	333.38	2.79	-121.32
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1	REAL300000539587	0	37	-2.0	-104.98	336.70	4.27	-100.71
CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000539588	0	36	-2.0	-119.77	321.25	3.51	-116.26
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539589	0	33	-2.0	-113.70	318.31	3.54	-110.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC=C1Cl	REAL300000539590	0	33	-2.0	-114.13	317.73	3.37	-110.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C(Cl)C=C1Cl	REAL300000539591	0	33	-2.0	-109.13	330.79	3.91	-105.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1C	REAL300000539592	0	39	-2.0	-121.08	338.33	4.30	-116.78
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539593	0	33	-2.0	-115.53	310.71	3.04	-112.49
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1	REAL300000539594	0	39	-2.0	-104.36	348.82	4.56	-99.80
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539595	0	30	-2.0	-111.87	298.42	2.00	-109.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCOCC2=C1	REAL300000539596	0	36	-2.0	-119.15	320.66	3.76	-115.39
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1	REAL300000539597	0	37	-2.0	-103.65	336.32	3.26	-100.39
CN1C=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000539598	0	34	-2.0	-116.30	311.87	2.33	-113.97
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCOCC2=C1	REAL300000539599	0	37	-2.0	-119.47	329.44	1.80	-117.67
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539600	0	33	-2.0	-108.17	314.34	2.66	-105.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000539601	0	39	-2.0	-120.52	336.68	4.29	-116.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CS1	REAL300000539602	0	30	-2.0	-113.90	296.88	2.00	-111.90
COC1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000539603	0	41	-2.0	-118.04	363.54	2.78	-115.26
COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000539604	0	37	-2.0	-124.37	332.51	3.04	-121.33
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539605	0	43	-2.0	-123.32	360.46	5.60	-117.72
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCOCC2=C1	REAL300000539606	0	42	-2.0	-121.58	359.13	4.99	-116.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCOCC2=C1	REAL300000539607	0	39	-2.0	-117.46	335.37	4.71	-112.75
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCOCC2=C1	REAL300000539608	0	40	-2.0	-124.62	355.67	3.55	-121.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC(C(=O)[O-])=C1	REAL300000539609	0	35	-3.0	-193.08	333.64	3.54	-189.54
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539610	0	40	-2.0	-123.57	349.47	4.86	-118.71
CC1=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C(C(=O)[O-])O1	REAL300000539611	0	33	-2.0	-111.52	308.24	2.12	-109.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC2=C1OCCO2	REAL300000539612	0	39	-2.0	-122.67	347.42	2.75	-119.92
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539613	0	37	-2.0	-119.36	334.21	2.08	-117.28
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NN4CCOCC4=C3)C=C2C1	REAL300000539614	0	41	-2.0	-105.00	358.86	3.60	-101.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC(Cl)=C1Cl	REAL300000539615	0	33	-2.0	-107.19	332.91	3.83	-103.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C(Cl)C=C1F	REAL300000539616	0	33	-2.0	-110.10	322.83	3.56	-106.54
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1Cl	REAL300000539617	0	37	-2.0	-101.99	352.32	3.80	-98.19
CC1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC=C1OCC(=O)[O-]	REAL300000539618	0	40	-2.0	-104.15	356.38	3.97	-100.18
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1F	REAL300000539619	0	43	-2.0	-102.74	384.97	4.23	-98.51
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCOCC2=C1	REAL300000539620	0	36	-2.0	-109.28	325.94	3.79	-105.49
CC1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC=C1OCCCC(=O)[O-]	REAL300000539621	0	46	-2.0	-104.31	398.82	4.90	-99.41
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1F	REAL300000539622	0	37	-2.0	-102.90	342.52	3.32	-99.58
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000539623	0	40	-2.0	-124.46	354.36	3.95	-120.51
CC1=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C(C(=O)[O-])S1	REAL300000539624	0	33	-2.0	-115.40	313.85	2.87	-112.53
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539625	0	33	-2.0	-107.24	333.45	3.98	-103.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C(Cl)=C1	REAL300000539626	0	33	-2.0	-102.53	318.28	3.53	-99.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1F	REAL300000539627	0	33	-2.0	-104.39	309.74	3.01	-101.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)S1	REAL300000539628	0	30	-2.0	-106.88	297.49	2.10	-104.78
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539629	0	33	-2.0	-108.95	311.64	3.04	-105.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1F	REAL300000539630	0	36	-2.0	-117.05	330.98	3.68	-113.37
COC1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000539631	0	37	-2.0	-107.06	345.54	3.59	-103.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C(F)=C1	REAL300000539632	0	33	-2.0	-104.60	310.69	3.05	-101.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1Cl	REAL300000539633	0	33	-2.0	-102.58	317.71	3.38	-99.20
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCOCC2=C1	REAL300000539634	0	36	-2.0	-111.14	334.67	4.18	-106.96
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1	REAL300000539635	0	41	-2.0	-101.72	368.98	4.38	-97.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC(F)=C1F	REAL300000539636	0	33	-2.0	-106.36	316.06	3.07	-103.29
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539637	0	35	-2.0	-102.82	333.43	3.65	-99.17
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539638	0	34	-2.0	-118.07	314.94	0.70	-117.37
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1	REAL300000539639	0	36	-2.0	-109.26	327.42	3.76	-105.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC(Cl)=C1F	REAL300000539640	0	33	-2.0	-107.90	325.94	3.51	-104.39
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN2CCOCC2=C1	REAL300000539641	0	36	-2.0	-114.16	315.30	3.61	-110.55
CC1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC(C(=O)[O-])=C1F	REAL300000539642	0	36	-2.0	-116.51	330.07	3.63	-112.88
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN2CCOCC2=C1	REAL300000539643	0	36	-2.0	-105.25	320.64	3.75	-101.50
CC1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC(C(=O)[O-])=C1C	REAL300000539644	0	39	-2.0	-123.03	342.04	4.14	-118.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000539645	0	35	-2.0	-116.00	331.79	4.06	-111.94
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539646	0	33	-2.0	-106.89	316.96	3.10	-103.79
CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C(C)=C1C(=O)[O-]	REAL300000539647	0	39	-2.0	-118.40	339.71	4.36	-114.04
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000539648	0	36	-2.0	-116.82	326.72	3.57	-113.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1Cl	REAL300000539649	0	36	-2.0	-115.58	336.99	4.10	-111.48
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539650	0	36	-2.0	-123.09	330.26	3.67	-119.42
CCC1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000539651	0	39	-2.0	-120.53	339.46	4.16	-116.37
COC1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1CC(=O)[O-]	REAL300000539652	0	40	-2.0	-120.27	355.69	3.11	-117.16
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN2CCOCC2=C1	REAL300000539653	0	36	-2.0	-107.30	331.49	4.16	-103.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1C(F)(F)F	REAL300000539654	0	36	-2.0	-101.58	335.34	3.78	-97.80
CC1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000539655	0	36	-2.0	-115.33	336.46	3.93	-111.40
CCN1C=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000539656	0	37	-2.0	-117.62	333.25	3.20	-114.42
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C(C)=C1CC(=O)[O-]	REAL300000539657	0	45	-2.0	-118.85	370.37	5.85	-113.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C(F)C(Cl)=C1F	REAL300000539658	0	33	-2.0	-105.32	330.83	3.53	-101.79
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000539659	0	36	-2.0	-111.14	335.10	3.94	-107.20
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C(C(=O)[O-])S1	REAL300000539660	0	42	-2.0	-114.86	354.67	5.06	-109.80
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000539661	0	37	-2.0	-119.27	345.56	3.59	-115.68
CC1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC=C1C(=O)[O-]	REAL300000539662	0	36	-2.0	-106.75	325.28	3.62	-103.13
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C([N+](=O)[O-])=C1	REAL300000539663	0	38	-2.0	-110.70	348.49	5.17	-105.53
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN2CCOCC2=C1	REAL300000539664	0	36	-2.0	-116.51	324.77	3.81	-112.70
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1[N+](=O)[O-]	REAL300000539665	0	35	-2.0	-125.40	328.96	4.84	-120.56
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1F	REAL300000539666	0	33	-2.0	-122.32	308.89	3.01	-119.31
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C1C(=O)[O-]	REAL300000539667	0	36	-2.0	-109.43	326.40	3.55	-105.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=CC2=CC=CC=C21	REAL300000539668	0	39	-2.0	-126.92	346.27	5.10	-121.82
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C1	REAL300000539669	0	32	-2.0	-115.72	301.44	1.10	-114.62
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN2CCOCC2=C1	REAL300000539670	0	37	-2.0	-109.68	333.43	2.78	-106.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)=C(Cl)O1	REAL300000539671	0	30	-2.0	-105.22	305.37	1.95	-103.27
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN4CCOCC4=C3)C=C2)CC1	REAL300000539672	0	40	-2.0	-112.05	351.38	4.86	-107.19
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN4CCOCC4=C3)C=C2C1	REAL300000539673	0	40	-2.0	-115.46	350.68	4.87	-110.59
CCC1=C(S(=O)(=O)[N-]C2=NN3CCOCC3=C2)C=C(C(=O)[O-])O1	REAL300000539674	0	36	-2.0	-111.42	327.38	2.97	-108.45
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000539675	1	38	-2.0	-118.19	351.32	4.00	-114.19
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000539677	1	38	-2.0	-118.64	346.78	3.97	-114.67
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000539678	0	42	-2.0	-124.52	374.92	3.77	-120.75
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000539679	1	42	-2.0	-106.32	378.25	5.26	-101.06
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000539681	0	38	-2.0	-114.39	359.85	4.54	-109.85
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000539682	1	38	-2.0	-116.71	359.30	4.36	-112.35
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000539683	1	44	-2.0	-121.19	379.18	5.28	-115.91
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000539684	0	38	-2.0	-116.58	352.26	4.03	-112.55
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000539685	1	44	-2.0	-105.57	390.34	5.56	-100.01
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000539686	0	35	-2.0	-112.92	339.96	2.98	-109.94
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000539687	1	41	-2.0	-119.37	362.21	4.75	-114.62
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000539689	1	39	-2.0	-117.10	353.43	3.31	-113.79
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000539691	0	38	-2.0	-110.26	355.90	3.65	-106.61
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000539693	0	35	-2.0	-114.31	338.43	3.00	-111.31
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000539695	1	47	-2.0	-121.69	400.68	5.97	-115.72
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CC(=O)NC)=C1	REAL300000539696	1	44	-2.0	-117.45	376.92	5.68	-111.77
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000539697	0	45	-2.0	-125.14	397.21	4.54	-120.60
CNC(=O)CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000539698	0	41	-2.0	-111.66	381.90	4.39	-107.27
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000539698	1	40	-3.0	-196.06	375.18	4.53	-191.53
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000539699	1	45	-2.0	-123.85	391.02	5.86	-117.99
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000539700	0	38	-2.0	-112.13	349.78	3.10	-109.03
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000539701	0	42	-2.0	-121.90	375.76	3.06	-118.84
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000539703	1	41	-2.0	-109.78	367.49	4.79	-104.99
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000539704	1	42	-2.0	-103.77	384.07	4.32	-99.45
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000539706	1	38	-2.0	-115.67	355.38	3.86	-111.81
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000539707	0	38	-2.0	-104.21	359.83	4.53	-99.68
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000539708	1	38	-2.0	-105.70	351.29	4.01	-101.69
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000539709	0	35	-2.0	-108.83	339.05	3.10	-105.73
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000539710	1	38	-2.0	-109.46	353.19	4.03	-105.43
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000539711	0	41	-2.0	-118.03	372.54	4.67	-113.36
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000539712	0	38	-2.0	-106.55	352.24	4.04	-102.51
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000539713	1	38	-2.0	-104.02	359.26	4.37	-99.65
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000539714	1	41	-2.0	-111.52	376.23	5.17	-106.35
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000539715	1	38	-2.0	-109.16	357.60	4.06	-105.10
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000539716	1	40	-2.0	-103.57	374.98	4.63	-98.94
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000539717	0	39	-2.0	-118.44	356.49	1.68	-116.76
CNC(=O)CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000539717	1	39	-2.0	-112.09	355.68	2.48	-109.61
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000539718	1	41	-2.0	-110.56	368.95	4.75	-105.81
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000539719	1	41	-2.0	-116.91	356.85	4.61	-112.30
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000539720	1	41	-2.0	-117.13	371.61	4.62	-112.51
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000539723	0	40	-2.0	-115.98	373.34	5.07	-110.91
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000539724	0	38	-2.0	-108.11	358.54	4.10	-104.01
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000539726	0	41	-2.0	-117.75	368.26	4.57	-113.18
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000539727	0	41	-2.0	-116.15	378.54	5.11	-111.04
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000539728	0	41	-2.0	-126.32	371.81	4.66	-121.66
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)NC)=C2)C=C1C(=O)[O-]	REAL300000539729	1	44	-2.0	-120.57	380.71	5.16	-115.41
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000539731	1	41	-2.0	-109.66	373.57	5.12	-104.54
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000539732	1	41	-2.0	-116.08	378.00	4.93	-111.15
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)NC)=C2)C=C1C(=O)[O-]	REAL300000539733	1	42	-2.0	-118.37	374.80	4.19	-114.18
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000539734	1	41	-2.0	-115.32	380.52	5.04	-110.28
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000539737	0	40	-2.0	-129.07	370.53	5.83	-123.24
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000539738	0	38	-2.0	-125.61	350.39	3.99	-121.62
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000539739	1	41	-2.0	-113.32	371.72	4.65	-108.67
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000539740	1	44	-2.0	-129.92	387.82	6.09	-123.83
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000539741	0	37	-2.0	-116.89	343.00	2.10	-114.79
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000539742	0	42	-2.0	-111.07	374.98	3.76	-107.31
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000539743	0	35	-2.0	-106.36	346.92	2.94	-103.42
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000539744	1	45	-2.0	-112.87	392.91	5.86	-107.01
CNC(=O)CC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000539745	1	45	-2.0	-116.78	392.22	5.86	-110.92
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CC(=O)NC)=C2)C=C(C(=O)[O-])O1	REAL300000539746	0	41	-2.0	-111.90	368.91	3.95	-107.95
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)=C1	REAL300000539747	1	41	-2.0	-102.49	369.05	6.37	-96.12
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)=C1	REAL300000539748	1	38	-2.0	-103.08	353.62	5.59	-97.49
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=C(F)C=CC=C3F)=CC=C2N1	REAL300000539751	0	32	-2.0	-106.83	307.33	5.21	-101.62
O=C([O-])C1=CC2=CC(NS(=O)(=O)C3=CC=C([O-])C([N+](=O)[O-])=C3)=CC=C2N1	REAL300000539752	0	35	-2.0	-95.75	335.01	4.61	-91.14
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)N=C3)=CC=C2N1	REAL300000539753	0	31	-2.0	-91.33	310.69	3.57	-87.76
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)=C1	REAL300000539754	1	33	-2.0	-96.94	319.67	5.33	-91.61
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C=C1	REAL300000539755	1	33	-2.0	-93.11	319.64	5.33	-87.78
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C=C3F)=CC=C2N1	REAL300000539756	0	32	-2.0	-96.77	321.06	5.52	-91.25
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000539757	0	33	-2.0	-107.06	316.94	5.22	-101.84
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC=C3Br)=CC=C2N1	REAL300000539758	0	32	-2.0	-100.22	315.33	5.63	-94.59
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COC1=CC(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)=CN=C1Cl	REAL300000540178	0	35	-2.0	-90.42	339.68	2.90	-87.52
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COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)=C1	REAL300000540180	0	38	-2.0	-96.60	360.02	5.66	-90.94
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COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C(C)=C1F	REAL300000540183	1	39	-2.0	-96.32	348.50	5.07	-91.25
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COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)=C1	REAL300000540186	0	37	-2.0	-96.41	348.78	3.80	-92.61
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CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540198	0	36	-2.0	-105.60	334.92	6.00	-99.60
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CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540201	1	41	-2.0	-101.93	352.84	6.94	-94.99
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C(C)=CS1	REAL300000540202	0	38	-2.0	-108.46	354.05	6.11	-102.35
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CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C4NC(C(=O)[O-])=CC4=C3)=CN=C21	REAL300000540207	1	37	-2.0	-95.21	343.18	4.07	-91.14
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COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C=C1	REAL300000540210	1	40	-2.0	-100.94	366.00	3.16	-97.78
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CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540214	1	38	-2.0	-98.26	329.06	6.65	-91.61
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540215	0	40	-2.0	-112.39	352.81	5.44	-106.95
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540217	0	35	-2.0	-103.13	318.42	5.87	-97.26
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CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540219	0	45	-2.0	-98.56	389.94	6.44	-92.12
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C4NC(C(=O)[O-])=CC4=C3)C=CC=C12	REAL300000540220	0	40	-2.0	-114.66	356.72	6.11	-108.55
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)=C1	REAL300000540222	1	36	-2.0	-102.91	350.08	2.23	-100.68
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COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)=C1	REAL300000540224	0	35	-2.0	-96.84	323.40	2.41	-94.43
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C3NC(C(=O)[O-])=CC3=C1)OCO2	REAL300000540226	1	38	-2.0	-96.69	340.32	4.37	-92.32
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540228	0	38	-2.0	-98.34	349.21	6.21	-92.13
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CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540230	0	41	-2.0	-112.21	367.70	7.23	-104.98
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CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)S1	REAL300000540232	1	34	-3.0	-159.81	340.49	1.29	-158.52
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C=C1F	REAL300000540233	1	39	-2.0	-100.29	360.01	3.95	-96.34
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C=N1	REAL300000540234	0	37	-2.0	-102.59	355.60	0.55	-102.04
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COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540240	0	36	-2.0	-102.52	343.82	5.25	-97.27
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COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)=C1	REAL300000540244	1	39	-2.0	-101.56	343.79	5.01	-96.55
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C=C1Cl	REAL300000540245	1	39	-2.0	-96.60	359.40	5.57	-91.03
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C=N1	REAL300000540248	0	34	-2.0	-97.32	315.44	3.77	-93.55
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COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C(F)=C1	REAL300000540250	0	38	-2.0	-98.47	359.08	5.66	-92.81
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O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC=C3C3CC3)=CC=C2N1	REAL300000540588	1	39	-2.0	-102.71	342.38	7.11	-95.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C(C)=N1	REAL300000540592	1	38	-2.0	-93.55	341.67	2.38	-91.17
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540593	0	38	-2.0	-103.49	346.25	2.77	-100.72
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540594	0	35	-2.0	-97.71	341.54	2.61	-95.10
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C=C1C	REAL300000540595	0	38	-2.0	-94.65	346.14	2.36	-92.29
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C=N1	REAL300000540596	0	41	-2.0	-97.02	361.79	5.08	-91.94
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540597	0	41	-2.0	-98.43	362.43	4.68	-93.75
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CSC(C(F)(F)F)=N3)=CC=C2N1	REAL300000540598	0	31	-2.0	-96.47	326.17	2.92	-93.55
N#CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C=CO1	REAL300000540599	0	30	-2.0	-99.62	301.79	3.35	-96.27
N#CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)SC=C1	REAL300000540600	0	30	-2.0	-100.66	310.88	4.26	-96.40
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540601	0	38	-2.0	-93.92	340.55	4.20	-89.72
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C=C1C	REAL300000540602	0	40	-2.0	-92.52	365.61	4.30	-88.22
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)=C1	REAL300000540603	0	35	-2.0	-104.26	340.67	6.75	-97.51
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CC=NN3CC3CC3)=CC=C2N1	REAL300000540604	0	39	-2.0	-93.39	351.04	5.05	-88.34
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CC=NN3C3=CC=CC=C3)=CC=C2N1	REAL300000540605	0	39	-2.0	-99.02	350.74	6.15	-92.87
COC1=NOC(CS(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)=C1	REAL300000540606	1	35	-2.0	-94.83	329.89	1.28	-93.55
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C=NN1C(C)C	REAL300000540607	0	41	-2.0	-98.54	361.92	4.73	-93.81
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C4CC4(F)F)=C3)=CC=C2N1	REAL300000540608	1	39	-2.0	-106.37	358.68	7.14	-99.23
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CN=CC(C(F)F)=C3)=CC=C2N1	REAL300000540609	0	34	-2.0	-95.31	326.18	3.96	-91.35
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CC=C(C4CC4(F)F)C=C3)=CC=C2N1	REAL300000540611	1	39	-2.0	-100.27	360.35	7.17	-93.10
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CNC4=CC(Cl)=CC=C34)=CC=C2N1	REAL300000540612	0	36	-2.0	-101.23	349.28	5.40	-95.83
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC(O)=C3)=CC=C2N1	REAL300000540613	1	33	-2.0	-100.38	309.84	2.08	-98.30
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540614	1	41	-2.0	-103.44	363.55	6.61	-96.83
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CC(C(F)F)=CC=C3F)=CC=C2N1	REAL300000540615	0	35	-2.0	-108.06	338.50	5.93	-102.13
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CSN=C3)=CC=C2N1	REAL300000540616	0	28	-2.0	-90.89	284.48	2.54	-88.35
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=NN(C4CC4(F)F)C=C3)=CC=C2N1	REAL300000540617	0	36	-2.0	-108.99	346.72	4.20	-104.79
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CC=CC=C3C3CC3(F)F)=CC=C2N1	REAL300000540618	1	39	-2.0	-105.92	354.65	7.24	-98.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C(Cl)=C1Cl	REAL300000540619	0	35	-2.0	-98.71	345.89	6.54	-92.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C(C(F)F)=C1	REAL300000540620	1	39	-2.0	-104.86	349.29	5.52	-99.34
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540621	0	37	-2.0	-106.22	339.62	4.52	-101.70
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C2NC(C(=O)[O-])=CC2=C1	REAL300000540622	0	38	-2.0	-114.95	348.16	6.48	-108.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C2=NC=CC=C12	REAL300000540623	0	40	-2.0	-115.21	356.56	6.10	-109.11
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C=C(C(=O)[O-])O1	REAL300000540624	0	37	-3.0	-159.13	349.42	5.49	-153.64
CCC1=C(S(=O)(=O)NC2=CC=C3NC(C(=O)[O-])=CC3=C2)C=C(C(=O)[O-])O1	REAL300000540624	1	38	-2.0	-101.08	352.11	4.93	-96.15
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)=C1	REAL300000540625	0	45	-2.0	-108.56	388.29	6.93	-101.63
CC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)C=C(Cl)S1	REAL300000540626	0	32	-2.0	-92.93	324.11	5.33	-87.60
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=CN=CS3)=CC=C2N1	REAL300000540627	0	28	-2.0	-94.97	285.42	2.05	-92.92
O=C([O-])C1=CC2=CC([N-]S(=O)(=O)C3=C4CCCCN4N=C3)=CC=C2N1	REAL300000540628	0	39	-2.0	-99.58	344.56	4.25	-95.33
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3NC(C(=O)[O-])=CC3=C2)=C1	REAL300000540629	0	35	-2.0	-104.23	325.75	5.66	-98.57
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000540630	1	43	-2.0	-119.40	381.30	2.36	-117.04
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000540631	1	43	-2.0	-108.95	376.74	2.34	-106.61
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000540632	1	43	-2.0	-122.51	376.76	2.33	-120.18
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000540633	1	46	-2.0	-123.76	392.78	2.86	-120.90
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000540634	0	43	-2.0	-121.06	382.23	2.40	-118.66
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000540635	0	40	-2.0	-116.45	369.95	1.35	-115.10
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000540636	1	46	-2.0	-124.80	392.19	3.11	-121.69
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000540637	0	44	-2.0	-120.48	383.41	1.68	-118.80
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000540638	0	43	-2.0	-112.24	385.87	2.01	-110.23
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000540639	0	40	-2.0	-117.87	368.41	1.37	-116.50
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000540640	0	43	-2.0	-116.74	379.77	1.48	-115.26
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000540641	0	43	-2.0	-120.61	386.45	2.20	-118.41
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000540642	1	43	-2.0	-108.12	381.29	2.37	-105.75
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000540643	0	40	-2.0	-110.96	369.03	1.45	-109.51
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000540644	0	43	-2.0	-112.98	383.18	2.39	-110.59
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000540645	0	43	-2.0	-108.36	382.23	2.40	-105.96
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000540646	0	44	-2.0	-124.19	386.48	0.04	-124.15
CCCNC1=CC=C(C(N)=O)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000540646	1	44	-2.0	-122.30	383.68	0.95	-121.35
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000540647	1	46	-2.0	-113.82	398.93	3.12	-110.70
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000540648	1	46	-2.0	-117.09	386.80	2.96	-114.13
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000540649	1	46	-2.0	-109.26	392.17	3.09	-106.17
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000540650	0	47	-2.0	-121.76	404.79	2.55	-119.21
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000540651	1	46	-2.0	-109.22	392.77	2.88	-106.34
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000540652	0	43	-2.0	-124.95	380.39	2.36	-122.59
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000540653	0	42	-2.0	-121.58	373.73	0.39	-121.19
CCCNC1=CC=C(C(N)=O)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000540654	0	46	-2.0	-116.69	398.88	2.32	-114.37
NC(=O)C1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000540688	0	38	-2.0	-104.32	338.46	1.17	-103.15
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540708	1	40	-2.0	-115.45	360.01	7.21	-108.24
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540709	1	37	-2.0	-114.64	344.59	6.44	-108.20
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000540712	0	31	-2.0	-118.65	298.30	6.08	-112.57
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000540713	0	34	-2.0	-99.53	322.31	5.43	-94.10
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000540714	0	30	-2.0	-102.14	301.66	4.42	-97.72
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000540715	1	32	-2.0	-108.65	310.61	6.18	-102.47
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000540716	1	32	-2.0	-104.73	310.60	6.18	-98.55
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000540717	0	31	-2.0	-107.73	312.03	6.37	-101.36
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000540718	0	32	-2.0	-118.65	307.91	6.07	-112.58
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1Br	REAL300000540719	0	31	-2.0	-111.97	306.28	6.49	-105.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1NC(C)=O	REAL300000540720	1	42	-2.0	-123.79	373.90	4.11	-119.68
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300000540721	1	35	-2.0	-104.17	335.80	5.58	-98.59
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000540722	0	34	-2.0	-102.56	321.81	6.30	-96.26
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000540722	1	33	-3.0	-173.53	322.79	6.38	-167.15
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300000540724	0	35	-2.0	-107.27	339.10	7.87	-99.40
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000540725	1	40	-2.0	-110.01	352.62	5.74	-104.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1[N+](=O)[O-]	REAL300000540726	1	36	-2.0	-109.50	334.00	6.98	-102.52
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540727	0	34	-2.0	-106.25	306.05	3.63	-102.62
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Br)S1	REAL300000540728	0	28	-2.0	-104.10	303.41	5.52	-98.58
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300000540730	1	47	-2.0	-110.20	391.65	9.60	-100.60
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000540731	1	34	-2.0	-103.71	328.52	6.79	-96.92
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000540732	1	41	-2.0	-112.79	352.51	8.28	-104.51
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000540733	0	34	-2.0	-108.55	316.63	6.28	-102.27
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000540733	1	33	-3.0	-162.18	318.25	6.36	-155.82
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540734	0	39	-2.0	-119.80	347.53	4.87	-114.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1OC	REAL300000540735	1	39	-2.0	-109.82	348.54	4.99	-104.83
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000540736	1	38	-2.0	-112.95	335.31	7.70	-105.25
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540737	0	33	-2.0	-101.33	304.72	4.71	-96.62
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000540738	1	31	-2.0	-102.84	321.71	6.77	-96.07
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000540739	0	34	-2.0	-101.32	317.30	6.27	-95.05
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000540739	1	33	-3.0	-176.61	318.26	6.35	-170.26
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000540740	1	31	-2.0	-102.03	302.49	5.91	-96.12
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000540741	0	31	-2.0	-108.23	319.65	6.87	-101.36
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000540742	1	34	-2.0	-107.78	328.53	6.79	-100.99
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540743	1	34	-2.0	-112.13	311.21	6.45	-105.68
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000540745	0	34	-2.0	-114.39	315.67	7.16	-107.23
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000540746	1	31	-2.0	-108.13	306.53	6.31	-101.82
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000540747	1	36	-2.0	-110.13	330.25	6.18	-103.95
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540748	1	37	-2.0	-112.46	326.69	7.23	-105.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C	REAL300000540749	1	37	-2.0	-112.86	328.21	6.99	-105.87
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000540750	1	31	-2.0	-102.19	312.38	6.36	-95.83
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540751	1	36	-2.0	-121.30	332.57	6.27	-115.03
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540753	0	37	-2.0	-124.00	335.04	7.18	-116.82
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000540754	1	40	-2.0	-106.18	366.42	7.38	-98.80
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000540755	0	31	-2.0	-109.51	318.12	6.80	-102.71
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1[N+](=O)[O-]	REAL300000540756	1	37	-2.0	-109.11	345.32	6.53	-102.58
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300000540757	1	43	-2.0	-110.85	366.00	8.11	-102.74
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300000540758	1	40	-2.0	-110.82	350.02	7.72	-103.10
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000540759	1	43	-2.0	-110.63	368.49	8.38	-102.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540760	0	37	-3.0	-183.24	346.40	6.14	-177.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540760	1	38	-2.0	-97.94	344.37	6.06	-91.88
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000540761	0	38	-2.0	-106.37	348.08	7.56	-98.81
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000540761	1	37	-3.0	-162.90	349.70	7.64	-155.26
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300000540762	0	31	-2.0	-112.64	313.40	7.11	-105.53
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000540763	0	28	-2.0	-103.97	298.78	5.41	-98.56
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000540764	1	40	-2.0	-110.80	354.18	8.01	-102.79
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540765	0	35	-2.0	-118.20	318.04	5.58	-112.62
CC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000540766	0	37	-2.0	-128.54	332.90	6.78	-121.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000540766	1	36	-3.0	-178.03	334.28	6.88	-171.15
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540767	0	42	-2.0	-117.99	374.42	4.45	-113.54
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000540768	0	31	-2.0	-105.43	307.86	5.98	-99.45
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000540769	1	31	-2.0	-103.02	323.26	6.82	-96.20
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000540770	0	31	-2.0	-112.61	302.93	6.35	-106.26
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1	REAL300000540771	1	31	-2.0	-108.02	311.09	6.41	-101.61
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000540772	0	33	-2.0	-108.78	318.02	6.46	-102.32
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540773	1	36	-2.0	-109.42	333.51	7.23	-102.19
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300000540774	1	33	-2.0	-103.07	330.46	6.84	-96.23
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000540775	0	28	-2.0	-109.56	281.73	4.79	-104.77
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000540777	0	33	-2.0	-122.27	310.89	7.21	-115.06
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000540778	0	33	-3.0	-173.13	331.33	6.92	-166.21
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000540778	1	34	-2.0	-114.88	329.51	6.46	-108.42
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000540779	0	34	-2.0	-99.61	329.78	6.67	-92.94
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000540779	1	33	-3.0	-172.25	330.76	6.74	-165.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000540780	1	34	-2.0	-111.54	311.20	6.46	-105.08
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000540782	0	31	-2.0	-107.09	301.70	5.92	-101.17
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000540783	1	31	-2.0	-108.27	296.21	5.86	-102.41
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000540784	0	31	-2.0	-102.30	302.61	5.92	-96.38
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000540786	1	37	-2.0	-111.57	334.28	4.95	-106.62
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540788	1	46	-2.0	-113.70	381.49	8.88	-104.82
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000540789	1	31	-2.0	-105.17	306.52	6.31	-98.86
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1	REAL300000540790	1	31	-2.0	-105.16	311.08	6.41	-98.75
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000540791	0	33	-2.0	-100.46	318.03	6.46	-94.00
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000540792	1	31	-2.0	-111.57	289.79	5.79	-105.78
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000540793	1	38	-2.0	-116.96	345.85	4.68	-112.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)S1	REAL300000540794	0	31	-2.0	-110.46	303.62	5.59	-104.87
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000540795	0	40	-2.0	-126.44	348.99	7.60	-118.84
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000540795	1	39	-3.0	-180.24	351.37	7.67	-172.57
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540796	0	35	-2.0	-111.43	334.79	6.10	-105.33
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300000540797	0	33	-2.0	-113.06	327.60	7.72	-105.34
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000540798	0	33	-3.0	-174.30	323.73	6.41	-167.89
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300000540799	0	28	-2.0	-103.42	312.64	5.94	-97.48
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300000540800	1	46	-2.0	-110.66	393.24	9.30	-101.36
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300000540801	1	36	-2.0	-106.55	328.04	7.05	-99.50
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000540802	0	31	-2.0	-110.56	301.70	5.92	-104.64
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000540803	0	40	-2.0	-105.57	360.90	7.86	-97.71
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000540803	1	39	-3.0	-162.53	361.82	7.94	-154.59
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000540804	1	41	-2.0	-116.80	366.44	5.49	-111.31
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000540805	1	35	-2.0	-107.65	325.54	2.61	-105.04
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000540806	1	35	-2.0	-109.13	330.01	6.81	-102.32
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000540807	1	36	-2.0	-108.51	331.81	4.24	-104.27
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000540808	1	39	-2.0	-109.60	349.61	4.97	-104.63
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1OCC	REAL300000540809	1	45	-2.0	-109.71	392.24	6.84	-102.87
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000540811	0	30	-3.0	-169.52	311.44	5.37	-164.15
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000540812	1	34	-2.0	-107.21	321.55	3.29	-103.92
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540814	0	37	-2.0	-125.09	333.17	7.15	-117.94
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540814	1	36	-3.0	-178.45	333.69	7.13	-171.32
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540815	0	37	-2.0	-109.51	327.41	4.87	-104.64
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300000540816	1	39	-2.0	-108.83	351.22	7.79	-101.04
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000540817	1	37	-2.0	-106.59	344.55	6.45	-100.14
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000540818	1	38	-2.0	-110.72	346.22	4.07	-106.65
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300000540819	1	36	-2.0	-111.31	343.97	0.75	-110.56
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300000540820	1	42	-2.0	-117.73	367.58	6.91	-110.82
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540821	0	40	-2.0	-119.35	361.96	7.46	-111.89
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000540822	1	35	-2.0	-110.79	324.29	2.57	-108.22
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3C)=CC=C21	REAL300000540823	1	42	-2.0	-119.20	370.38	6.91	-112.29
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000540824	1	37	-2.0	-111.14	332.68	7.23	-103.91
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000540825	1	37	-2.0	-113.82	335.73	8.08	-105.74
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=CS1	REAL300000540826	0	34	-2.0	-120.47	329.38	6.09	-114.38
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000540827	1	41	-2.0	-110.15	366.37	6.30	-103.85
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000540829	0	38	-2.0	-106.76	347.76	6.56	-100.20
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300000540831	1	42	-2.0	-112.39	374.01	9.91	-102.48
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300000540832	1	43	-2.0	-111.06	370.97	8.47	-102.59
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000540833	1	31	-2.0	-104.57	296.19	5.86	-98.71
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000540834	0	31	-2.0	-115.27	295.29	5.85	-109.42
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)C2	REAL300000540835	0	36	-2.0	-108.62	344.93	4.78	-103.84
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000540836	1	36	-2.0	-107.44	332.18	6.28	-101.16
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540837	0	37	-2.0	-123.79	342.67	4.37	-119.42
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3C)=C2N=C1	REAL300000540838	0	39	-2.0	-126.38	351.14	7.06	-119.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(Cl)=C1	REAL300000540840	0	34	-2.0	-112.31	324.34	7.02	-105.29
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300000540841	0	35	-2.0	-113.42	334.54	6.07	-107.35
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300000540842	1	37	-2.0	-108.41	340.54	3.02	-105.39
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300000540843	1	36	-2.0	-114.79	344.04	0.74	-114.05
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300000540844	1	39	-2.0	-108.72	352.64	6.22	-102.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C([N+](=O)[O-])=C1	REAL300000540845	0	37	-2.0	-117.82	340.34	6.49	-111.33
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300000540846	1	37	-2.0	-108.16	346.34	2.78	-105.38
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300000540847	1	38	-2.0	-105.67	355.64	5.05	-100.62
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000540848	1	36	-2.0	-105.64	337.48	7.29	-98.35
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300000540849	1	37	-2.0	-108.55	343.91	5.75	-102.80
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300000540850	1	35	-2.0	-105.99	335.79	5.58	-100.41
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300000540851	1	37	-2.0	-115.22	350.49	3.31	-111.91
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300000540853	1	41	-2.0	-114.27	359.62	9.66	-104.61
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000540854	0	31	-2.0	-104.93	309.32	6.42	-98.51
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300000540855	0	43	-2.0	-117.73	375.72	5.13	-112.60
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000540856	0	38	-2.0	-120.84	351.63	4.75	-116.09
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300000540857	1	37	-2.0	-118.24	350.50	3.31	-114.93
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300000540858	1	40	-2.0	-111.62	364.00	8.49	-103.13
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1OC	REAL300000540860	0	39	-2.0	-111.32	354.00	5.06	-106.26
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1OC	REAL300000540861	1	42	-2.0	-110.86	363.55	5.78	-105.08
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000540862	0	34	-3.0	-174.15	324.91	5.70	-168.45
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000540862	1	35	-2.0	-102.42	325.11	5.69	-96.73
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000540863	0	31	-2.0	-117.34	307.27	5.35	-111.99
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000540864	0	36	-2.0	-109.50	331.74	1.95	-107.55
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000540865	0	38	-2.0	-127.09	340.49	5.10	-121.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000540867	1	35	-2.0	-107.86	335.33	5.65	-102.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000540868	1	35	-2.0	-107.70	325.53	5.16	-102.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C(N)=O	REAL300000540871	1	38	-2.0	-106.50	340.38	3.25	-103.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C(N)=O	REAL300000540872	1	39	-2.0	-108.32	351.62	3.17	-105.15
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000540873	0	31	-2.0	-108.25	294.34	3.51	-104.74
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300000540874	0	36	-2.0	-100.59	333.51	7.23	-93.36
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CN1C	REAL300000540876	0	39	-2.0	-109.92	353.68	3.44	-106.48
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540877	1	34	-2.0	-108.71	322.01	7.08	-101.63
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3C)C=N2)C=C1	REAL300000540879	0	41	-2.0	-108.81	371.77	7.58	-101.23
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300000540881	1	42	-2.0	-110.48	365.29	5.93	-104.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540883	0	33	-3.0	-164.96	327.39	6.03	-158.93
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000540884	1	32	-2.0	-101.77	326.01	6.59	-95.18
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000540885	1	32	-2.0	-102.42	326.05	6.59	-95.83
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000540886	0	40	-2.0	-125.20	347.68	7.61	-117.59
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000540887	1	35	-2.0	-116.14	328.15	6.16	-109.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C2=CC=CN=C12	REAL300000540888	1	40	-2.0	-113.27	355.10	5.58	-107.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000540889	1	34	-2.0	-108.66	325.27	6.90	-101.76
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000540890	0	31	-2.0	-111.92	311.46	6.35	-105.57
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540892	0	37	-2.0	-105.90	346.26	6.25	-99.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C2=CC=CC=C12	REAL300000540893	1	41	-2.0	-116.49	359.16	7.45	-109.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000540894	1	34	-2.0	-108.50	316.51	6.50	-102.00
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300000540895	1	34	-2.0	-105.54	322.01	7.07	-98.47
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540896	0	34	-2.0	-115.42	316.71	6.52	-108.90
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540897	1	34	-2.0	-108.93	311.68	6.63	-102.30
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCCl)C=C1	REAL300000540898	1	37	-2.0	-110.14	349.85	7.86	-102.28
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300000540899	0	36	-2.0	-123.66	323.42	8.04	-115.62
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300000540900	0	39	-2.0	-112.05	355.09	5.04	-107.01
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300000540901	1	41	-2.0	-120.72	361.60	5.64	-115.08
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540903	0	39	-2.0	-126.69	351.06	7.08	-119.61
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000540906	0	30	-3.0	-171.49	309.91	5.39	-166.10
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000540906	1	31	-2.0	-101.75	310.27	5.35	-96.40
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl	REAL300000540907	0	34	-2.0	-113.23	332.14	7.68	-105.55
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300000540908	0	33	-2.0	-100.37	331.15	7.02	-93.35
COC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000540909	0	38	-2.0	-106.05	343.91	6.34	-99.71
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300000540910	1	39	-2.0	-111.95	339.91	7.16	-104.79
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300000540911	0	28	-2.0	-109.98	302.10	5.35	-104.63
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1O	REAL300000540912	1	38	-2.0	-107.93	353.41	4.48	-103.45
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000540913	1	44	-2.0	-119.64	393.20	5.59	-114.05
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000540914	0	33	-2.0	-115.69	317.28	7.28	-108.41
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000540915	0	43	-2.0	-123.57	370.18	7.91	-115.66
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000540915	1	42	-3.0	-181.53	372.15	8.36	-173.17
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300000540916	1	41	-2.0	-111.58	363.97	9.20	-102.38
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000540917	0	33	-2.0	-118.11	323.19	7.15	-110.96
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540918	0	40	-2.0	-119.57	369.82	4.32	-115.25
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540919	1	42	-2.0	-120.50	380.55	5.46	-115.04
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300000540922	1	42	-2.0	-121.11	377.86	5.76	-115.35
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540923	0	35	-2.0	-114.70	320.98	4.15	-110.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540924	0	40	-2.0	-124.04	345.37	7.40	-116.64
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540924	1	39	-3.0	-177.68	347.67	8.05	-169.63
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000540925	0	34	-2.0	-113.70	329.32	6.69	-107.01
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540926	0	40	-3.0	-184.36	368.69	6.91	-177.45
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540926	1	41	-2.0	-97.15	366.74	6.83	-90.32
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000540927	0	36	-3.0	-187.06	344.92	6.82	-180.24
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000540927	1	35	-4.0	-256.40	346.66	6.91	-249.49
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)S1	REAL300000540928	0	34	-2.0	-104.58	337.68	5.55	-99.03
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000540929	0	41	-2.0	-126.55	360.58	7.80	-118.75
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000540929	1	40	-3.0	-182.61	362.50	8.24	-174.37
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C	REAL300000540930	0	39	-2.0	-121.47	349.31	8.40	-113.07
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000540931	0	35	-2.0	-104.12	327.61	6.17	-97.95
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000540932	0	31	-2.0	-108.70	304.71	6.14	-102.56
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000540933	0	33	-3.0	-168.96	321.27	5.50	-163.46
CC1=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000540933	1	34	-2.0	-119.49	320.00	5.03	-114.46
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000540934	0	34	-2.0	-131.01	317.99	5.00	-126.01
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540935	0	37	-2.0	-116.33	350.06	6.50	-109.83
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540936	0	41	-2.0	-119.76	361.32	7.17	-112.59
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000540937	1	34	-2.0	-101.81	334.11	6.85	-94.96
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300000540939	0	33	-2.0	-122.35	323.52	7.94	-114.41
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000540940	1	36	-2.0	-121.63	338.13	5.96	-115.67
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(Br)=C1	REAL300000540941	0	30	-2.0	-102.44	306.11	4.60	-97.84
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000540943	0	33	-2.0	-126.02	315.81	7.41	-118.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540944	0	37	-3.0	-177.92	347.22	5.45	-172.47
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540944	1	38	-2.0	-106.23	344.81	4.96	-101.27
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000540945	0	38	-2.0	-109.27	350.36	6.91	-102.36
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300000540946	0	41	-2.0	-109.14	375.77	7.35	-101.79
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000540947	0	30	-2.0	-102.29	291.20	4.07	-98.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C(F)(F)F	REAL300000540948	1	37	-2.0	-108.21	344.22	7.31	-100.90
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300000540949	1	41	-2.0	-108.93	370.05	6.70	-102.23
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540950	0	34	-2.0	-109.85	337.84	5.46	-104.39
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540951	1	39	-2.0	-108.72	347.59	8.16	-100.56
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300000540952	1	36	-2.0	-112.41	325.95	6.21	-106.20
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000540953	0	30	-2.0	-103.29	314.95	4.91	-98.38
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000540954	0	41	-2.0	-106.14	367.90	7.26	-98.88
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000540955	0	31	-2.0	-118.41	293.81	4.90	-113.51
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3C)C=C12	REAL300000540957	1	39	-2.0	-105.67	356.11	5.51	-100.16
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3C)C=C12	REAL300000540958	0	35	-2.0	-101.92	329.55	2.77	-99.15
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000540959	0	31	-2.0	-101.23	305.74	4.31	-96.92
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300000540960	1	40	-2.0	-112.89	371.33	8.63	-104.26
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000540961	0	31	-2.0	-112.72	301.57	5.91	-106.81
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000540962	0	35	-2.0	-113.85	327.79	5.38	-108.47
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300000540963	0	33	-2.0	-115.69	327.60	7.73	-107.96
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000540964	0	37	-2.0	-117.00	336.65	7.10	-109.90
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000540964	1	36	-3.0	-168.15	338.98	7.16	-160.99
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000540965	0	37	-2.0	-116.65	332.92	5.44	-111.21
CC1=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CN1C	REAL300000540966	0	34	-2.0	-119.65	313.33	4.68	-114.97
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000540967	0	35	-2.0	-113.65	327.80	5.85	-107.80
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540968	1	40	-2.0	-114.22	366.45	7.37	-106.85
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=N1	REAL300000540969	0	34	-2.0	-108.47	315.87	4.36	-104.11
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000540970	1	43	-2.0	-105.78	387.91	8.17	-97.61
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540971	1	38	-2.0	-113.37	344.86	5.51	-107.86
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540972	0	37	-2.0	-119.01	341.42	7.25	-111.76
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300000540973	0	34	-2.0	-109.71	334.35	6.86	-102.85
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300000540974	0	34	-2.0	-106.36	321.55	7.21	-99.15
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300000540975	0	31	-2.0	-109.51	321.86	5.89	-103.62
CCOC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000540976	0	41	-2.0	-136.49	366.39	7.25	-129.24
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000540977	1	36	-2.0	-109.64	325.79	5.09	-104.55
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1F	REAL300000540978	1	40	-2.0	-104.33	370.98	7.39	-96.94
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000540979	0	31	-2.0	-108.23	309.33	6.42	-101.81
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3C)C=C2)=CO1	REAL300000540980	1	40	-2.0	-113.82	366.18	4.86	-108.96
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000540983	1	35	-2.0	-105.26	334.09	2.64	-102.62
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540984	0	31	-2.0	-106.51	290.19	2.84	-103.67
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000540985	1	35	-2.0	-113.19	319.30	5.09	-108.10
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000540986	1	34	-2.0	-111.84	305.28	6.55	-105.29
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)S1	REAL300000540987	0	37	-2.0	-114.14	351.42	4.01	-110.13
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)S1	REAL300000540987	1	36	-3.0	-168.95	348.11	2.90	-166.05
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000540988	0	31	-2.0	-116.04	294.64	3.33	-112.71
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000540989	0	31	-2.0	-102.85	290.04	3.42	-99.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000540995	0	34	-2.0	-114.79	316.71	6.53	-108.26
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1F	REAL300000540996	1	34	-2.0	-105.01	316.53	6.49	-98.52
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)O1	REAL300000540997	0	34	-2.0	-104.60	329.34	4.59	-100.01
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000540998	0	36	-2.0	-126.60	329.73	6.42	-120.18
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300000540999	0	37	-2.0	-115.08	356.22	6.48	-108.60
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000541000	0	31	-2.0	-102.81	307.96	5.97	-96.84
CC1=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])S1	REAL300000541001	0	34	-2.0	-122.10	325.58	5.79	-116.31
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])S1	REAL300000541001	1	33	-3.0	-173.97	326.88	6.25	-167.72
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1C	REAL300000541002	1	40	-2.0	-112.73	354.63	7.07	-105.66
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541003	0	35	-2.0	-113.40	332.40	5.65	-107.75
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300000541004	0	33	-2.0	-102.74	320.44	5.02	-97.72
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541005	0	37	-2.0	-118.58	347.96	3.39	-115.19
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000541007	1	40	-2.0	-116.77	366.74	7.24	-109.53
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3C)C=C21	REAL300000541009	1	42	-2.0	-131.89	368.97	6.84	-125.05
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541010	0	43	-2.0	-110.14	368.92	6.40	-103.74
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)SC=C1	REAL300000541011	0	31	-2.0	-110.65	298.02	5.61	-105.04
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1C	REAL300000541012	0	40	-2.0	-109.77	348.30	5.70	-104.07
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C	REAL300000541013	1	40	-2.0	-106.70	360.59	6.98	-99.72
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300000541014	0	36	-2.0	-100.77	334.01	6.97	-93.80
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000541017	1	39	-2.0	-123.00	349.38	4.24	-118.76
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541018	1	35	-2.0	-109.12	326.06	6.95	-102.17
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1F	REAL300000541019	1	38	-2.0	-117.85	350.97	4.80	-113.05
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1F	REAL300000541020	0	36	-2.0	-110.20	339.48	7.04	-103.16
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300000541021	1	43	-2.0	-111.17	340.07	8.39	-102.78
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300000541022	1	39	-2.0	-107.39	363.57	6.91	-100.48
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1C	REAL300000541023	1	41	-2.0	-127.80	364.68	5.58	-122.22
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541024	0	35	-2.0	-112.87	327.44	6.25	-106.62
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1C	REAL300000541025	1	35	-2.0	-104.90	326.04	6.94	-97.96
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541026	1	43	-2.0	-110.48	351.67	9.24	-101.24
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300000541028	1	40	-2.0	-117.79	358.47	5.86	-111.93
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1OC	REAL300000541029	1	41	-2.0	-109.74	371.90	6.49	-103.25
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000541030	0	32	-2.0	-107.16	316.09	6.24	-100.92
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3C)C=C2O1	REAL300000541031	1	36	-2.0	-108.80	333.44	3.45	-105.35
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000541032	0	37	-2.0	-108.34	334.55	4.88	-103.46
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1S(N)(=O)=O	REAL300000541033	0	36	-2.0	-112.82	327.64	2.28	-110.54
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000541034	1	36	-2.0	-111.59	330.76	6.18	-105.41
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=N1	REAL300000541035	0	37	-2.0	-114.18	349.15	4.56	-109.62
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000541036	0	37	-2.0	-116.79	333.60	4.25	-112.54
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1[N+](=O)[O-]	REAL300000541037	0	34	-2.0	-112.87	331.63	7.59	-105.28
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=NN1C1=CC=CC=N1	REAL300000541040	0	40	-2.0	-113.14	364.36	7.03	-106.11
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000541042	1	31	-2.0	-97.03	308.79	5.97	-91.06
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300000541043	1	42	-2.0	-108.76	372.24	7.62	-101.14
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CN1C	REAL300000541045	0	38	-2.0	-113.98	350.96	5.90	-108.08
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000541046	1	46	-2.0	-110.64	380.23	8.58	-102.06
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000541047	0	33	-3.0	-160.48	331.31	6.91	-153.57
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000541047	1	34	-2.0	-103.93	329.48	6.46	-97.47
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000541048	0	34	-2.0	-112.96	321.77	6.31	-106.65
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000541048	1	33	-3.0	-161.40	322.77	6.39	-155.01
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300000541049	1	39	-2.0	-120.22	356.27	5.20	-115.02
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300000541050	0	38	-2.0	-112.33	354.76	7.07	-105.26
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000541051	1	41	-2.0	-119.13	357.41	6.03	-113.10
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300000541052	1	37	-2.0	-105.57	336.83	7.13	-98.44
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000541053	0	30	-3.0	-163.71	310.52	5.48	-158.23
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000541054	0	40	-2.0	-117.91	354.33	6.78	-111.13
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000541055	0	34	-2.0	-120.42	323.01	6.34	-114.08
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000541055	1	33	-3.0	-166.80	324.67	6.41	-160.39
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000541056	0	36	-3.0	-175.66	344.01	7.04	-168.62
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000541057	1	45	-2.0	-108.19	382.59	7.84	-100.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CN1	REAL300000541058	0	35	-2.0	-111.64	333.19	4.14	-107.50
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000541059	0	33	-3.0	-161.63	323.72	6.42	-155.21
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000541059	1	34	-2.0	-105.05	321.85	5.96	-99.09
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000541060	0	34	-2.0	-108.48	329.73	6.66	-101.82
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000541060	1	33	-3.0	-159.75	330.74	6.75	-153.00
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000541061	1	34	-2.0	-107.62	310.59	6.58	-101.04
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1C	REAL300000541062	1	40	-2.0	-108.69	360.61	6.97	-101.72
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CS1	REAL300000541063	0	34	-2.0	-110.39	337.07	5.47	-104.92
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1F	REAL300000541064	1	37	-2.0	-104.21	349.12	6.46	-97.75
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)S1	REAL300000541065	0	33	-2.0	-107.64	315.02	4.36	-103.28
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000541066	1	35	-2.0	-117.34	332.05	6.96	-110.38
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300000541067	1	39	-2.0	-99.93	348.15	8.13	-91.80
CC(=O)NC1=CC(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1[O-]	REAL300000541068	1	39	-2.0	-106.24	350.50	2.65	-103.59
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541071	1	37	-2.0	-108.37	344.02	7.56	-100.81
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541072	1	37	-2.0	-112.44	332.69	7.22	-105.22
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300000541073	0	34	-2.0	-107.75	345.43	7.72	-100.03
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541074	1	34	-2.0	-108.12	317.62	6.52	-101.60
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541076	0	37	-2.0	-105.59	347.69	5.25	-100.34
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000541077	1	37	-2.0	-107.97	341.19	4.84	-103.13
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000541078	0	34	-2.0	-100.63	327.40	6.36	-94.27
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000541078	1	33	-3.0	-164.44	329.08	6.44	-158.00
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000541079	0	35	-3.0	-160.80	346.45	7.02	-153.78
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000541079	1	36	-2.0	-98.33	344.74	6.94	-91.39
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300000541080	0	34	-2.0	-112.11	343.14	7.67	-104.44
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541081	0	41	-2.0	-121.06	372.73	6.23	-114.83
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541082	1	43	-2.0	-115.44	377.69	7.76	-107.68
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C(F)C=C1F	REAL300000541084	0	34	-2.0	-107.15	321.99	6.55	-100.60
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300000541085	0	37	-2.0	-118.85	341.56	8.84	-110.01
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000541086	1	37	-2.0	-119.11	330.84	8.10	-111.01
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000541087	0	33	-2.0	-108.28	321.79	5.27	-103.01
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000541088	0	34	-3.0	-177.63	327.97	4.06	-173.57
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000541088	1	34	-3.0	-174.47	322.44	4.88	-169.59
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000541089	1	41	-2.0	-115.19	345.11	8.40	-106.79
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000541090	0	37	-2.0	-105.75	339.50	7.06	-98.69
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000541090	1	36	-3.0	-167.44	340.44	7.13	-160.31
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)O1	REAL300000541091	0	37	-2.0	-104.70	351.20	5.51	-99.19
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000541092	0	33	-2.0	-100.88	324.43	6.53	-94.35
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541093	0	36	-2.0	-121.13	344.12	6.76	-114.37
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300000541094	1	43	-2.0	-110.20	380.51	7.33	-102.87
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300000541095	0	34	-2.0	-118.18	332.53	6.49	-111.69
COC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)SC=C1	REAL300000541096	0	32	-2.0	-119.54	311.96	4.08	-115.46
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)OC2=CC=C(F)C=C12	REAL300000541097	0	37	-2.0	-109.19	346.55	6.89	-102.30
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000541098	0	34	-2.0	-112.07	319.56	6.18	-105.89
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2N=C(C)C=CC2=CC=C1	REAL300000541099	0	39	-2.0	-128.24	351.31	7.02	-121.22
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300000541100	1	42	-2.0	-107.42	373.10	5.30	-102.12
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300000541101	1	37	-2.0	-111.03	345.21	8.52	-102.51
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)SC2=CC=CC(F)=C12	REAL300000541102	0	37	-2.0	-113.29	347.29	8.00	-105.29
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1F	REAL300000541103	0	36	-2.0	-109.31	343.81	7.17	-102.14
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541104	0	33	-2.0	-115.22	323.04	4.55	-110.67
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3C)C=NC2=C1Cl	REAL300000541106	0	36	-2.0	-100.96	350.79	5.75	-95.21
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000541107	0	31	-2.0	-100.71	304.77	4.74	-95.97
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000541108	0	31	-2.0	-113.51	309.98	4.62	-108.89
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541109	1	39	-2.0	-113.83	348.78	4.40	-109.43
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000541110	0	32	-2.0	-114.89	305.64	4.52	-110.37
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300000541111	0	39	-2.0	-123.31	340.87	8.59	-114.72
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000541112	0	32	-2.0	-102.66	312.02	3.61	-99.05
CC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)S1	REAL300000541113	0	30	-2.0	-106.98	298.32	3.62	-103.36
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C	REAL300000541114	1	36	-2.0	-102.90	338.01	7.25	-95.65
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000541115	0	37	-2.0	-102.32	327.37	6.97	-95.35
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000541115	1	36	-3.0	-172.60	328.30	6.98	-165.62
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000541117	1	38	-2.0	-128.53	354.40	3.66	-124.87
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000541118	0	37	-2.0	-131.06	342.11	6.92	-124.14
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000541118	1	36	-3.0	-174.77	343.09	7.00	-167.77
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000541119	0	37	-2.0	-110.63	331.71	7.06	-103.57
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541120	0	37	-2.0	-115.76	348.76	6.90	-108.86
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300000541121	0	32	-2.0	-108.60	319.09	6.47	-102.13
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C(C)N1	REAL300000541122	0	44	-2.0	-110.54	385.81	6.47	-104.07
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000541123	0	34	-2.0	-110.32	321.99	6.56	-103.76
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1[N+](=O)[O-]	REAL300000541124	0	37	-2.0	-100.81	345.32	6.53	-94.28
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000541125	0	40	-2.0	-100.90	349.71	7.31	-93.59
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000541125	1	39	-3.0	-179.96	351.72	7.43	-172.53
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300000541126	1	37	-2.0	-120.04	347.54	8.61	-111.43
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000541127	0	35	-3.0	-173.58	344.81	7.44	-166.14
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000541127	1	36	-2.0	-106.95	343.83	7.37	-99.58
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000541128	0	34	-2.0	-107.77	335.13	7.28	-100.49
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1CC	REAL300000541129	1	43	-2.0	-112.77	366.85	8.36	-104.41
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000541131	0	33	-3.0	-165.13	329.99	6.47	-158.66
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1	REAL300000541132	1	36	-2.0	-101.69	342.84	7.11	-94.58
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000541133	0	30	-2.0	-108.56	308.76	5.23	-103.33
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000541134	0	37	-2.0	-117.50	335.24	6.20	-111.30
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=N1	REAL300000541135	0	36	-2.0	-102.79	340.54	4.61	-98.18
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000541136	0	30	-2.0	-101.12	315.24	4.98	-96.14
CC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C(C)=C1C(=O)[O-]	REAL300000541137	0	40	-2.0	-106.23	350.87	7.70	-98.53
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000541138	0	36	-3.0	-175.61	339.73	6.95	-168.66
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000541138	1	37	-2.0	-96.58	337.97	6.47	-90.11
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541139	0	36	-3.0	-181.06	343.29	7.04	-174.02
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300000541140	0	31	-2.0	-99.39	317.04	6.27	-93.12
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541141	1	39	-2.0	-121.20	352.88	7.06	-114.14
COCCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=N1	REAL300000541142	0	38	-2.0	-106.85	349.55	3.41	-103.44
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C([N+](=O)[O-])=N1	REAL300000541143	0	36	-2.0	-115.14	340.11	6.62	-108.52
CCC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000541144	0	40	-2.0	-129.18	350.94	7.46	-121.72
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000541144	1	39	-3.0	-178.95	352.58	7.54	-171.41
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000541145	0	42	-2.0	-108.55	366.95	4.34	-104.21
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300000541148	0	35	-2.0	-119.32	327.06	6.58	-112.74
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1C	REAL300000541149	0	37	-2.0	-109.32	336.77	6.22	-103.10
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000541150	0	40	-2.0	-110.67	362.79	7.43	-103.24
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541151	0	37	-2.0	-117.71	337.28	6.54	-111.17
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000541152	0	39	-2.0	-106.86	347.83	3.54	-103.32
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1F	REAL300000541154	0	34	-2.0	-116.04	315.61	6.50	-109.54
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=N1	REAL300000541155	0	37	-2.0	-104.53	338.84	3.41	-101.12
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000541156	0	38	-2.0	-120.12	335.58	5.84	-114.28
COC1=CC=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C=C1CC(=O)[O-]	REAL300000541157	0	41	-2.0	-106.35	367.78	6.41	-99.94
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000541158	1	38	-2.0	-111.21	344.88	5.52	-105.69
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541159	0	36	-2.0	-115.66	329.06	2.77	-112.89
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300000541160	0	34	-2.0	-113.37	321.66	6.93	-106.44
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C(C)O1	REAL300000541162	0	34	-2.0	-109.36	312.75	5.37	-103.99
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300000541163	0	37	-2.0	-115.68	336.05	3.45	-112.23
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541165	1	40	-2.0	-107.39	372.86	7.44	-99.95
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541166	1	38	-2.0	-110.16	336.41	5.81	-104.35
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C(C(=O)OC)O1	REAL300000541167	0	40	-2.0	-106.38	364.72	6.13	-100.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)O1	REAL300000541169	0	31	-2.0	-109.82	294.39	4.61	-105.21
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541170	0	34	-2.0	-111.16	322.01	6.16	-105.00
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000541171	1	34	-2.0	-107.80	315.85	4.45	-103.35
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300000541172	0	39	-2.0	-126.97	343.43	7.56	-119.41
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000541173	0	37	-2.0	-121.80	339.07	7.80	-114.00
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541174	0	37	-2.0	-115.23	341.43	7.25	-107.98
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000541175	0	33	-2.0	-98.70	322.53	6.48	-92.22
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000541176	1	31	-2.0	-102.73	312.95	6.38	-96.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C(C)O1	REAL300000541177	0	37	-2.0	-106.38	347.63	5.36	-101.02
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000541178	0	30	-2.0	-102.49	301.54	4.49	-98.00
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)N=C1C	REAL300000541179	0	37	-2.0	-119.40	335.40	5.57	-113.83
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541180	0	34	-2.0	-112.87	324.34	7.02	-105.85
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000541181	0	37	-3.0	-175.48	346.29	6.57	-168.91
CCN1C=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C(=O)[O-]	REAL300000541181	1	38	-2.0	-103.06	347.23	6.56	-96.50
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541182	0	34	-2.0	-108.93	329.68	4.53	-104.40
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541183	0	43	-2.0	-110.74	369.28	6.35	-104.39
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CN1C	REAL300000541184	0	41	-2.0	-113.48	372.83	6.82	-106.66
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541185	1	39	-2.0	-105.91	349.48	7.72	-98.19
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000541186	0	31	-2.0	-115.71	305.85	6.58	-109.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(Cl)=N1	REAL300000541187	0	33	-2.0	-109.88	319.69	5.11	-104.77
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541188	0	36	-2.0	-110.40	338.84	5.98	-104.42
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000541189	1	35	-2.0	-107.59	345.02	7.26	-100.33
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)S1	REAL300000541190	0	33	-2.0	-106.68	319.81	4.37	-102.31
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3C)C=C12	REAL300000541191	0	38	-2.0	-101.27	351.03	3.51	-97.76
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)S1	REAL300000541192	0	33	-2.0	-105.50	327.92	6.13	-99.37
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CN=C1Cl	REAL300000541194	0	34	-2.0	-100.91	330.64	3.75	-97.16
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3C)=CC=C21	REAL300000541195	1	40	-2.0	-108.43	365.72	6.75	-101.68
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000541196	0	33	-2.0	-100.83	324.52	5.03	-95.80
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541197	1	37	-2.0	-107.84	351.00	6.51	-101.33
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(S(=O)(=O)F)C=C1	REAL300000541198	0	34	-2.0	-109.73	336.38	2.89	-106.84
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541199	0	46	-2.0	-109.73	389.06	7.28	-102.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(C)=C1F	REAL300000541200	1	38	-2.0	-107.28	339.89	5.90	-101.38
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000541201	0	32	-2.0	-105.01	323.68	6.74	-98.27
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000541202	0	34	-2.0	-119.24	317.72	6.11	-113.13
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541203	0	36	-2.0	-107.35	339.75	4.65	-102.70
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000541204	0	28	-2.0	-104.38	294.18	4.52	-99.86
CC1=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C(C2=CC=CC=C2)O1	REAL300000541205	0	40	-2.0	-116.63	364.21	4.88	-111.75
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300000541206	1	39	-2.0	-110.32	349.50	7.74	-102.58
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541207	0	41	-2.0	-118.04	353.34	7.54	-110.50
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300000541208	0	31	-2.0	-107.85	310.87	6.20	-101.65
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541212	1	43	-2.0	-115.01	381.88	8.14	-106.87
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300000541213	0	31	-2.0	-103.66	324.97	6.89	-96.77
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541214	0	31	-2.0	-104.42	318.79	6.01	-98.41
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(OC)=C1	REAL300000541215	0	41	-2.0	-112.31	372.79	6.24	-106.07
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000541216	1	34	-2.0	-116.85	323.96	6.72	-110.13
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300000541217	0	34	-2.0	-106.07	334.03	6.85	-99.22
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000541218	0	34	-2.0	-107.57	328.87	4.65	-102.92
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541219	0	35	-2.0	-117.92	325.89	6.85	-111.07
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)F)=C1	REAL300000541220	1	34	-2.0	-112.01	335.16	3.02	-108.99
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300000541222	0	39	-2.0	-105.13	359.23	7.08	-98.05
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300000541223	1	40	-2.0	-114.47	343.80	7.78	-106.69
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(C)=CS1	REAL300000541224	0	37	-2.0	-120.33	345.02	6.97	-113.36
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1F	REAL300000541225	1	35	-2.0	-104.26	325.51	5.16	-99.10
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000541226	0	30	-2.0	-116.85	302.49	6.19	-110.66
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000541227	0	30	-2.0	-97.83	283.21	2.25	-95.58
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000541228	1	36	-2.0	-105.94	334.15	4.93	-101.01
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000541229	0	30	-2.0	-102.56	310.96	5.55	-97.01
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000541231	1	39	-2.0	-112.62	356.96	4.01	-108.61
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000541232	0	35	-2.0	-112.07	317.77	5.23	-106.84
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000541233	0	32	-2.0	-108.69	323.68	6.75	-101.94
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000541234	0	34	-2.0	-108.75	333.75	4.87	-103.88
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541235	1	37	-2.0	-111.08	319.29	7.49	-103.59
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541236	0	39	-2.0	-124.44	343.77	6.30	-118.14
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1F	REAL300000541238	0	34	-2.0	-115.91	309.39	6.75	-109.16
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000541239	0	35	-2.0	-123.35	328.18	5.87	-117.48
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541240	0	44	-2.0	-109.87	379.98	7.26	-102.61
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C(C)C=CN=C12	REAL300000541241	0	39	-2.0	-126.39	347.69	6.97	-119.42
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000541243	1	35	-2.0	-114.35	341.05	3.08	-111.27
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000541244	0	32	-2.0	-117.19	314.57	4.10	-113.09
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541245	0	34	-2.0	-107.68	314.37	3.27	-104.41
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1OC	REAL300000541246	0	41	-2.0	-107.27	371.86	6.50	-100.77
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C)OCO2	REAL300000541248	1	37	-2.0	-108.51	331.29	5.21	-103.30
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541250	0	37	-2.0	-110.41	340.24	7.06	-103.35
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300000541251	1	41	-2.0	-110.52	360.81	5.63	-104.89
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541252	0	40	-2.0	-124.67	356.86	8.11	-116.56
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300000541253	0	37	-2.0	-119.57	351.01	7.34	-112.23
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)S1	REAL300000541255	0	34	-2.0	-114.22	334.75	3.28	-110.94
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)S1	REAL300000541255	1	33	-3.0	-168.34	331.44	2.15	-166.19
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000541256	1	38	-2.0	-111.04	350.96	4.81	-106.23
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300000541257	1	35	-2.0	-106.88	335.27	5.43	-101.45
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000541258	1	34	-2.0	-100.99	334.12	6.85	-94.14
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300000541259	0	36	-2.0	-112.58	346.57	1.41	-111.17
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000541260	1	35	-2.0	-113.39	319.19	7.07	-106.32
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000541261	1	35	-2.0	-117.27	332.03	6.95	-110.32
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000541262	0	31	-2.0	-105.61	319.65	6.86	-98.75
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(N)=NO1	REAL300000541264	0	32	-2.0	-101.14	297.33	3.15	-97.99
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300000541265	0	31	-2.0	-104.03	319.82	7.18	-96.85
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541266	0	35	-2.0	-114.60	334.78	6.10	-108.50
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000541267	0	32	-2.0	-106.75	317.29	4.57	-102.18
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541270	1	38	-2.0	-113.80	334.76	5.86	-107.94
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000541273	0	29	-2.0	-102.54	302.31	5.34	-97.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=N1	REAL300000541274	0	33	-2.0	-108.31	306.39	4.62	-103.69
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000541275	0	36	-2.0	-110.52	330.99	6.15	-104.37
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000541276	0	37	-2.0	-109.18	350.04	6.51	-102.67
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000541277	0	37	-2.0	-105.51	349.10	6.47	-99.04
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541278	0	39	-2.0	-121.14	365.94	7.63	-113.51
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1C#N	REAL300000541279	1	35	-2.0	-104.31	329.78	6.68	-97.63
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000541280	0	30	-2.0	-97.40	307.53	4.48	-92.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000541282	0	35	-2.0	-112.31	324.78	5.15	-107.16
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300000541283	0	39	-2.0	-122.64	350.58	8.97	-113.67
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300000541284	1	37	-2.0	-111.66	350.78	7.57	-104.09
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000541286	1	34	-2.0	-108.51	321.97	6.66	-101.85
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000541287	1	41	-2.0	-115.38	364.00	9.20	-106.18
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)N(C)N=C1	REAL300000541289	0	34	-2.0	-103.61	306.66	4.26	-99.35
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541290	0	40	-2.0	-115.64	371.92	7.42	-108.22
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000541292	0	29	-2.0	-102.85	293.73	4.34	-98.51
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000541293	0	28	-2.0	-107.72	280.91	4.70	-103.02
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541294	0	42	-2.0	-120.03	373.12	5.30	-114.73
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000541295	0	37	-2.0	-106.32	333.04	6.84	-99.48
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000541295	1	36	-3.0	-162.29	334.26	6.89	-155.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=N1	REAL300000541296	0	34	-2.0	-104.65	316.97	2.48	-102.17
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000541297	0	31	-2.0	-110.43	312.03	6.37	-104.06
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541299	1	42	-2.0	-113.21	367.93	6.90	-106.31
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541300	0	40	-2.0	-113.14	367.32	8.56	-104.58
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300000541301	0	40	-2.0	-112.83	363.15	8.27	-104.56
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300000541302	0	34	-2.0	-112.47	326.30	7.16	-105.31
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541303	1	43	-2.0	-117.74	388.61	8.14	-109.60
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)N(C)N=C1	REAL300000541304	0	40	-2.0	-110.80	360.90	5.79	-105.01
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1C	REAL300000541305	1	43	-2.0	-108.91	382.50	7.90	-101.01
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300000541306	0	42	-2.0	-122.62	367.52	7.02	-115.60
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000541307	0	34	-2.0	-115.52	316.40	4.42	-111.10
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300000541308	1	37	-2.0	-104.04	344.35	7.58	-96.46
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541309	1	38	-2.0	-113.25	341.15	6.01	-107.24
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000541310	0	31	-2.0	-112.06	312.17	6.65	-105.41
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3C)C=C2C=C1	REAL300000541312	1	40	-2.0	-113.35	357.10	8.73	-104.62
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000541313	0	28	-2.0	-110.93	297.77	5.25	-105.68
CC1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541314	0	31	-2.0	-109.42	303.36	5.45	-103.97
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1	REAL300000541315	1	44	-2.0	-115.93	385.77	6.14	-109.79
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000541316	0	28	-2.0	-106.55	288.08	2.60	-103.95
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300000541317	0	36	-2.0	-118.26	344.31	6.85	-111.41
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000541318	0	30	-2.0	-104.85	296.69	3.90	-100.95
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000541319	0	40	-2.0	-105.42	354.32	4.85	-100.57
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000541320	0	40	-2.0	-104.97	358.97	4.34	-100.63
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000541323	0	34	-2.0	-106.66	325.98	6.25	-100.41
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300000541324	0	34	-2.0	-112.65	341.09	7.85	-104.80
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541325	0	36	-2.0	-119.83	330.89	5.39	-114.44
CC1=NSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541326	0	30	-2.0	-103.53	298.29	4.08	-99.45
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000541328	0	35	-2.0	-100.35	333.11	5.30	-95.05
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300000541328	1	35	-2.0	-109.98	338.63	4.49	-105.49
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300000541329	0	37	-2.0	-105.54	345.79	7.20	-98.34
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000541331	1	38	-2.0	-110.84	339.02	7.89	-102.95
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000541332	0	28	-2.0	-113.44	288.07	4.84	-108.60
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3C)=CC=C2NC1=O	REAL300000541333	1	40	-2.0	-107.77	360.85	5.53	-102.24
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300000541334	0	37	-2.0	-122.91	350.60	4.24	-118.67
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300000541335	0	34	-2.0	-109.77	328.43	4.64	-105.13
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000541336	1	40	-2.0	-110.50	354.64	7.38	-103.12
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000541337	1	32	-2.0	-101.86	316.51	6.22	-95.64
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F	REAL300000541340	0	36	-2.0	-102.61	342.15	7.15	-95.46
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000541341	0	37	-2.0	-126.35	336.24	7.10	-119.25
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300000541342	0	32	-2.0	-108.25	322.68	5.08	-103.17
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000541343	0	35	-3.0	-184.24	341.99	8.21	-176.03
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C(F)C=C1C	REAL300000541346	0	40	-2.0	-110.13	366.07	7.05	-103.08
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000541347	0	31	-2.0	-102.50	322.38	5.98	-96.52
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000541348	0	36	-2.0	-115.99	326.79	2.71	-113.28
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)S1	REAL300000541349	0	34	-2.0	-111.69	319.91	6.42	-105.27
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CN=C1C	REAL300000541350	0	39	-2.0	-103.17	356.03	5.14	-98.03
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000541351	0	32	-2.0	-100.49	313.17	4.65	-95.84
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000541352	0	33	-2.0	-102.05	317.35	5.16	-96.89
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300000541353	1	37	-2.0	-104.04	344.22	7.30	-96.74
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541354	1	40	-2.0	-117.92	366.75	7.23	-110.69
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300000541355	1	33	-2.0	-101.74	329.54	5.67	-96.07
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=NN1C	REAL300000541359	0	34	-2.0	-109.94	310.46	4.02	-105.92
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000541360	1	35	-2.0	-111.44	320.87	6.88	-104.56
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541361	1	44	-2.0	-121.71	383.76	6.65	-115.06
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541362	0	34	-2.0	-109.09	313.18	4.15	-104.94
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541363	1	38	-2.0	-108.76	361.60	6.02	-102.74
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000541364	0	31	-2.0	-102.30	305.62	4.39	-97.91
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300000541366	1	36	-2.0	-108.91	336.22	2.99	-105.92
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000541368	0	31	-2.0	-107.06	305.44	3.32	-103.74
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000541369	0	37	-2.0	-103.53	336.09	5.71	-97.82
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300000541371	0	39	-2.0	-101.50	360.94	4.36	-97.14
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300000541372	1	38	-2.0	-116.33	345.80	5.53	-110.80
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300000541373	0	34	-2.0	-107.72	327.01	3.36	-104.36
COC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1Cl	REAL300000541374	1	35	-2.0	-104.85	335.32	5.65	-99.20
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(N)=O)S1	REAL300000541375	0	35	-2.0	-119.91	341.38	2.44	-117.47
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000541376	0	33	-3.0	-180.32	321.90	6.37	-173.95
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000541377	0	28	-2.0	-114.19	289.15	3.80	-110.39
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000541378	0	33	-2.0	-121.21	320.99	5.21	-116.00
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000541379	1	36	-2.0	-113.52	325.60	5.64	-107.88
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000541381	0	37	-2.0	-118.10	340.31	8.10	-110.00
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300000541382	0	34	-2.0	-113.86	329.94	4.87	-108.99
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1Cl	REAL300000541384	0	34	-2.0	-112.63	316.92	7.29	-105.34
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300000541385	0	35	-2.0	-109.18	334.21	5.91	-103.27
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000541386	0	36	-2.0	-120.40	326.10	5.62	-114.78
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000541387	1	40	-2.0	-113.70	372.21	7.28	-106.42
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C2=CC=CC(C)=C2S1	REAL300000541388	0	40	-2.0	-113.44	360.89	8.80	-104.64
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000541394	0	34	-2.0	-117.49	319.71	6.75	-110.74
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000541395	0	30	-2.0	-103.39	314.84	4.99	-98.40
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300000541396	0	31	-2.0	-105.84	313.36	3.94	-101.90
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000541397	1	36	-2.0	-110.46	333.65	4.24	-106.22
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000541399	0	37	-2.0	-97.65	337.37	6.82	-90.83
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000541399	1	36	-3.0	-167.92	339.42	6.92	-161.00
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541401	0	35	-2.0	-114.83	324.46	5.64	-109.19
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300000541402	1	34	-2.0	-101.77	329.42	4.89	-96.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1[N+](=O)[O-]	REAL300000541403	1	39	-2.0	-109.41	352.35	7.63	-101.78
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541404	0	47	-2.0	-119.90	394.22	7.90	-112.00
COC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000541406	0	34	-2.0	-101.60	333.05	3.02	-98.58
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541407	0	30	-2.0	-101.52	288.55	3.71	-97.81
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000541408	1	35	-2.0	-106.11	339.88	3.95	-102.16
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CC=C1Cl	REAL300000541409	1	34	-2.0	-105.85	325.27	6.89	-98.96
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000541410	1	37	-2.0	-119.78	337.89	6.77	-113.01
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541411	0	40	-2.0	-116.48	370.34	7.14	-109.34
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C([N+](=O)[O-])S1	REAL300000541412	0	33	-2.0	-116.57	324.38	6.98	-109.59
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000541414	1	34	-2.0	-106.19	331.79	3.98	-102.21
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000541415	0	30	-2.0	-112.47	290.30	3.97	-108.50
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000541418	0	30	-2.0	-101.47	291.21	3.94	-97.53
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000541420	0	29	-2.0	-114.02	300.18	5.19	-108.83
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541421	0	38	-2.0	-114.53	357.56	7.54	-106.99
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000541424	1	31	-2.0	-102.54	312.38	6.36	-96.18
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000541425	0	40	-2.0	-116.44	351.53	6.15	-110.29
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300000541426	1	38	-2.0	-116.20	354.91	3.65	-112.55
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000541427	0	39	-2.0	-120.49	341.98	7.01	-113.48
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541428	0	41	-2.0	-110.30	363.28	4.76	-105.54
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(F)=C1	REAL300000541429	0	40	-2.0	-108.59	371.91	7.44	-101.15
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541435	1	38	-2.0	-121.29	345.72	3.23	-118.06
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)N(C)N=C1	REAL300000541438	0	37	-2.0	-110.47	339.03	4.86	-105.61
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C	REAL300000541439	1	42	-2.0	-113.37	374.50	4.88	-108.49
CC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)N1C	REAL300000541442	0	34	-2.0	-108.20	309.16	4.76	-103.44
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541443	1	44	-2.0	-113.64	379.83	7.44	-106.20
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000541446	0	36	-2.0	-114.74	337.60	7.90	-106.84
CCC1=NC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CN1CC1CC1	REAL300000541447	0	44	-2.0	-119.69	388.50	7.76	-111.93
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)O1	REAL300000541448	0	37	-2.0	-105.12	347.24	5.17	-99.95
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=C(C(=O)[O-])C=C3C)C=C2C1	REAL300000541449	1	42	-2.0	-117.11	374.78	6.36	-110.75
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000541450	0	34	-2.0	-107.38	329.54	5.29	-102.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(C)=C1[N+](=O)[O-]	REAL300000541451	1	39	-2.0	-106.40	353.87	8.11	-98.29
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300000541452	0	34	-2.0	-97.40	331.40	4.41	-92.99
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000541453	0	30	-2.0	-105.46	307.16	4.39	-101.07
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300000541454	1	41	-2.0	-121.51	355.90	9.18	-112.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(F)=C1F	REAL300000541456	0	34	-2.0	-112.62	321.88	6.57	-106.05
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)OC=C1	REAL300000541457	0	34	-2.0	-118.74	323.18	5.17	-113.57
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000541459	0	33	-2.0	-122.14	316.87	4.77	-117.37
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(C)=N1	REAL300000541460	0	43	-2.0	-108.79	377.71	6.56	-102.23
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000541462	0	32	-3.0	-173.97	314.47	4.48	-169.49
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541463	0	35	-2.0	-111.40	319.53	5.81	-105.59
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000541465	1	43	-2.0	-108.08	368.01	8.04	-100.04
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000541466	1	32	-2.0	-102.79	317.04	6.25	-96.54
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300000541467	0	34	-2.0	-105.79	322.94	4.42	-101.37
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000541468	0	33	-2.0	-122.10	312.97	4.98	-117.12
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000541468	1	33	-2.0	-108.89	313.07	4.85	-104.04
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300000541469	0	35	-2.0	-117.48	323.53	5.76	-111.72
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000541470	0	41	-2.0	-106.87	350.79	5.91	-100.96
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000541471	0	43	-2.0	-108.56	356.74	6.34	-102.22
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000541473	0	41	-2.0	-108.26	357.20	6.14	-102.12
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300000541474	0	34	-2.0	-101.82	324.09	4.70	-97.12
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1Br	REAL300000541475	0	31	-2.0	-108.63	314.99	3.99	-104.64
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000541479	0	32	-2.0	-101.42	300.46	4.37	-97.05
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000541479	1	32	-2.0	-110.66	305.98	3.55	-107.11
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000541480	1	41	-2.0	-110.70	367.00	8.57	-102.13
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541481	0	34	-2.0	-123.51	320.81	3.45	-120.06
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541482	0	37	-2.0	-109.29	330.63	4.88	-104.41
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000541483	1	36	-2.0	-110.77	337.09	6.35	-104.42
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000541484	0	31	-2.0	-103.70	295.00	3.15	-100.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(C#N)=C1	REAL300000541485	0	35	-2.0	-117.32	329.30	6.73	-110.59
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C#N	REAL300000541486	0	35	-2.0	-118.77	321.37	7.01	-111.76
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000541487	1	34	-2.0	-106.72	329.01	6.74	-99.98
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000541490	1	38	-2.0	-114.92	353.55	7.75	-107.17
COC1=NSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541492	0	31	-2.0	-100.89	309.04	1.59	-99.30
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000541494	0	27	-2.0	-103.63	276.54	3.49	-100.14
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541497	0	37	-3.0	-167.10	346.46	6.14	-160.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541497	1	38	-2.0	-101.53	344.39	6.07	-95.46
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C(C(N)=O)O1	REAL300000541498	0	35	-2.0	-110.37	329.30	1.41	-108.96
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541499	1	40	-2.0	-111.84	340.98	8.29	-103.55
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000541500	0	31	-2.0	-105.67	310.03	5.71	-99.96
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000541502	0	30	-3.0	-162.47	318.36	5.33	-157.14
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000541503	1	36	-2.0	-119.03	326.04	6.29	-112.74
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541504	0	38	-2.0	-111.82	351.21	5.99	-105.83
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000541505	0	32	-2.0	-112.95	315.62	6.21	-106.74
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=N1	REAL300000541506	0	30	-2.0	-111.97	288.59	2.11	-109.86
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541507	0	34	-2.0	-101.12	344.36	5.07	-96.05
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000541508	0	38	-2.0	-108.32	339.69	5.47	-102.85
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000541509	0	38	-2.0	-105.02	337.08	5.69	-99.33
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000541510	0	41	-2.0	-104.98	359.20	6.39	-98.59
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000541511	0	32	-2.0	-100.56	326.81	5.35	-95.21
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000541511	1	31	-3.0	-183.60	328.76	5.39	-178.21
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300000541512	0	42	-2.0	-116.04	364.84	3.80	-112.24
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300000541513	0	37	-2.0	-109.30	356.63	6.69	-102.61
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000541514	1	37	-2.0	-108.85	340.51	3.01	-105.84
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000541515	0	28	-2.0	-108.08	290.45	4.52	-103.56
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000541516	1	35	-2.0	-100.74	335.67	5.34	-95.40
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000541517	0	38	-2.0	-111.43	334.18	5.82	-105.61
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1F	REAL300000541518	0	35	-2.0	-108.58	330.97	5.23	-103.35
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300000541520	0	41	-2.0	-116.25	364.25	7.18	-109.07
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541521	0	34	-2.0	-107.84	314.53	6.47	-101.37
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000541522	0	39	-2.0	-121.51	347.05	6.38	-115.13
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000541523	0	39	-2.0	-107.54	358.47	5.45	-102.09
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300000541524	1	39	-2.0	-113.46	357.98	8.01	-105.45
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541525	0	35	-2.0	-113.00	326.28	6.45	-106.55
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000541526	0	28	-2.0	-108.58	295.22	5.23	-103.35
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Br)=NN1C	REAL300000541527	0	31	-2.0	-98.98	311.74	3.92	-95.06
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000541528	0	33	-2.0	-101.60	323.69	4.95	-96.65
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541529	0	36	-2.0	-124.44	331.51	5.38	-119.06
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541530	0	33	-2.0	-98.37	305.02	3.12	-95.25
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000541532	1	32	-2.0	-100.42	304.67	4.57	-95.85
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000541533	0	34	-2.0	-112.28	328.64	7.22	-105.06
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000541534	0	34	-2.0	-124.44	334.70	5.50	-118.94
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000541535	0	38	-2.0	-103.99	341.73	5.51	-98.48
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300000541536	1	40	-2.0	-107.95	345.54	8.14	-99.81
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1OC	REAL300000541537	0	39	-2.0	-116.06	342.52	5.59	-110.47
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300000541538	1	40	-2.0	-116.77	358.11	3.01	-113.76
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C21	REAL300000541539	0	34	-2.0	-112.39	319.57	6.08	-106.31
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1OC	REAL300000541540	0	39	-2.0	-118.07	349.26	6.12	-111.95
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300000541541	0	44	-2.0	-112.16	378.55	6.69	-105.47
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300000541542	0	35	-2.0	-115.15	340.61	7.74	-107.41
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000541543	0	38	-2.0	-111.52	345.06	5.73	-105.79
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300000541544	1	35	-2.0	-110.50	329.03	5.37	-105.13
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000541545	0	34	-2.0	-117.88	319.23	5.00	-112.88
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000541546	0	36	-2.0	-127.20	334.34	4.19	-123.01
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000541547	0	38	-2.0	-112.62	327.54	7.68	-104.94
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=CN=C1N	REAL300000541548	1	35	-2.0	-110.25	317.80	3.50	-106.75
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541549	0	31	-2.0	-107.94	307.08	1.66	-106.28
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)N=CN1	REAL300000541550	0	31	-2.0	-117.79	288.91	3.90	-113.89
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000541552	1	34	-2.0	-109.04	323.52	6.17	-102.87
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000541553	0	41	-2.0	-111.61	361.31	6.19	-105.42
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300000541554	1	49	-2.0	-115.76	404.03	9.71	-106.05
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000541555	0	28	-2.0	-108.19	295.60	5.33	-102.86
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000541556	0	41	-2.0	-108.67	363.77	6.43	-102.24
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000541557	0	35	-2.0	-115.48	327.94	6.91	-108.57
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300000541558	1	44	-2.0	-120.14	379.59	4.19	-115.95
COC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C2=NC=CC=C2C=C1	REAL300000541559	0	40	-2.0	-135.27	355.22	7.00	-128.27
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541560	1	40	-2.0	-112.57	354.18	8.00	-104.57
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541561	0	37	-2.0	-102.39	346.07	4.14	-98.25
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300000541562	0	32	-2.0	-113.48	314.33	6.14	-107.34
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000541563	0	38	-2.0	-107.71	335.51	5.32	-102.39
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000541564	0	35	-2.0	-98.09	346.24	7.13	-90.96
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000541567	0	40	-2.0	-102.90	336.83	5.68	-97.22
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000541568	0	40	-2.0	-109.03	354.29	5.50	-103.53
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000541569	0	38	-2.0	-108.96	338.38	4.88	-104.08
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300000541570	0	36	-2.0	-101.19	340.72	5.61	-95.58
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000541571	0	42	-2.0	-108.00	364.06	6.61	-101.39
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C([N+](=O)[O-])=C1	REAL300000541572	0	33	-2.0	-95.79	328.82	6.54	-89.25
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300000541573	1	34	-2.0	-101.91	335.27	6.88	-95.03
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000541574	1	34	-2.0	-110.85	317.77	6.61	-104.24
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000541575	0	31	-2.0	-109.51	311.33	6.18	-103.33
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000541576	0	31	-2.0	-103.04	321.54	5.90	-97.14
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541577	0	34	-2.0	-103.53	311.97	4.01	-99.52
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C)=C1C	REAL300000541579	1	37	-2.0	-112.43	322.29	7.09	-105.34
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000541580	0	34	-2.0	-120.53	310.80	7.07	-113.46
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541581	1	42	-2.0	-120.61	374.38	7.82	-112.79
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300000541583	1	41	-2.0	-114.45	370.04	7.48	-106.97
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000541585	1	40	-2.0	-111.42	368.21	7.44	-103.98
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000541586	0	32	-2.0	-110.51	322.42	6.64	-103.87
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000541587	0	31	-2.0	-110.57	309.81	6.03	-104.54
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000541588	1	38	-2.0	-112.39	339.01	7.90	-104.49
COC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=CS1	REAL300000541589	0	32	-2.0	-114.77	312.06	4.23	-110.54
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300000541590	0	34	-2.0	-109.45	322.07	7.23	-102.22
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541591	0	37	-2.0	-106.07	354.77	6.10	-99.97
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000541592	0	38	-2.0	-113.53	344.51	7.96	-105.57
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000541593	0	41	-2.0	-105.44	354.56	6.41	-99.03
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541594	0	40	-2.0	-104.70	349.73	5.70	-99.00
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000541595	1	40	-2.0	-117.30	361.00	3.30	-114.00
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300000541597	0	34	-2.0	-116.18	343.73	2.29	-113.89
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000541598	0	36	-2.0	-119.82	333.40	4.14	-115.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)O1	REAL300000541599	0	34	-2.0	-109.84	315.88	5.39	-104.45
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000541600	0	31	-2.0	-103.11	313.65	5.02	-98.09
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541601	0	35	-2.0	-107.64	330.75	5.70	-101.94
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300000541602	0	45	-2.0	-110.83	388.13	4.93	-105.90
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000541603	1	37	-2.0	-110.53	343.01	7.32	-103.21
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000541604	1	35	-2.0	-110.43	329.05	5.37	-105.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)S1	REAL300000541606	0	32	-2.0	-107.67	313.59	4.25	-103.42
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300000541607	0	42	-2.0	-127.40	361.22	8.09	-119.31
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000541609	0	34	-2.0	-106.27	322.47	4.50	-101.77
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541610	1	41	-2.0	-113.55	366.71	6.48	-107.07
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1CCl	REAL300000541611	0	34	-2.0	-105.67	341.47	5.26	-100.41
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300000541612	0	41	-2.0	-105.58	369.47	6.99	-98.59
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000541613	0	44	-2.0	-107.87	376.19	6.74	-101.13
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000541614	1	34	-2.0	-113.20	311.49	6.70	-106.50
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541615	1	43	-2.0	-117.70	378.93	8.48	-109.22
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN21	REAL300000541616	0	34	-2.0	-112.80	315.30	6.19	-106.61
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000541617	1	33	-2.0	-112.11	320.73	5.18	-106.93
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=N1	REAL300000541618	0	33	-2.0	-107.80	310.51	2.66	-105.14
CCN1N=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1Cl	REAL300000541619	0	34	-2.0	-106.41	331.47	4.73	-101.68
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300000541620	0	33	-2.0	-104.18	330.81	5.07	-99.11
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000541621	0	28	-2.0	-104.14	289.54	4.41	-99.73
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300000541622	1	36	-2.0	-119.18	343.00	6.75	-112.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C2=CC=CC=C12	REAL300000541623	1	40	-2.0	-119.76	348.56	8.63	-111.13
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000541625	0	31	-2.0	-105.17	317.31	6.40	-98.77
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)O1	REAL300000541626	0	37	-2.0	-119.38	353.42	2.09	-117.29
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300000541627	0	41	-2.0	-113.34	367.21	7.21	-106.13
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000541629	0	35	-2.0	-110.71	333.61	7.10	-103.61
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300000541630	0	34	-2.0	-102.18	335.28	6.60	-95.58
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300000541632	0	27	-2.0	-100.54	293.73	4.22	-96.32
CC1=COC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541633	0	31	-2.0	-109.12	294.38	4.46	-104.66
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1	REAL300000541634	1	41	-2.0	-110.89	376.46	7.69	-103.20
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=NN1	REAL300000541635	0	37	-2.0	-108.51	350.16	3.59	-104.92
COC1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1OC	REAL300000541636	0	36	-2.0	-113.05	342.80	3.81	-109.24
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000541637	0	32	-2.0	-97.62	324.57	4.37	-93.25
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000541637	1	31	-3.0	-161.44	326.37	4.83	-156.61
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000541638	0	30	-2.0	-97.18	307.42	4.43	-92.75
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300000541639	1	35	-2.0	-109.57	335.29	5.44	-104.13
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000541640	0	37	-2.0	-108.04	334.21	5.73	-102.31
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000541641	1	38	-2.0	-117.20	343.52	7.55	-109.65
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300000541642	0	34	-2.0	-112.44	320.48	7.18	-105.26
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300000541643	0	28	-2.0	-100.06	314.86	5.90	-94.16
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000541644	0	31	-2.0	-106.09	309.65	3.85	-102.24
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300000541645	1	36	-2.0	-108.50	341.24	6.43	-102.07
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000541646	0	37	-2.0	-123.05	327.65	7.61	-115.44
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000541647	0	29	-2.0	-111.55	293.95	4.24	-107.31
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300000541648	0	33	-2.0	-102.75	317.55	5.19	-97.56
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541649	1	42	-2.0	-113.96	373.47	7.41	-106.55
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(C2CC2)=N1	REAL300000541650	0	41	-2.0	-111.71	366.60	6.59	-105.12
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300000541651	0	35	-2.0	-118.26	328.04	5.14	-113.12
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300000541652	1	37	-2.0	-108.96	352.44	8.58	-100.38
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C)NC(=O)NC1=O	REAL300000541653	1	34	-2.0	-112.56	312.86	1.52	-111.04
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541655	0	44	-2.0	-106.22	376.48	7.00	-99.22
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000541656	0	28	-2.0	-107.35	288.59	4.30	-103.05
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000541657	0	28	-2.0	-104.81	298.60	5.30	-99.51
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541658	0	45	-2.0	-119.04	394.62	6.08	-112.96
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300000541659	0	37	-2.0	-114.47	348.65	8.63	-105.84
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000541660	0	39	-2.0	-104.72	342.08	3.55	-101.17
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000541661	1	38	-2.0	-115.48	333.35	7.95	-107.53
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(C)=N1	REAL300000541665	1	37	-2.0	-104.71	332.64	3.22	-101.49
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541666	0	37	-2.0	-114.59	337.21	3.61	-110.98
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541667	0	34	-2.0	-108.84	332.51	3.45	-105.39
COC1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C	REAL300000541668	0	37	-2.0	-105.40	337.11	3.21	-102.19
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000541669	0	40	-2.0	-108.66	357.19	5.89	-102.77
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541670	0	40	-2.0	-109.30	353.40	5.53	-103.77
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300000541671	0	30	-2.0	-107.27	317.13	3.77	-103.50
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000541672	0	29	-2.0	-110.27	292.76	4.20	-106.07
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000541673	0	29	-2.0	-114.91	301.85	5.12	-109.79
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000541674	0	37	-2.0	-104.13	331.52	5.07	-99.06
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C1C	REAL300000541675	0	39	-2.0	-103.13	356.57	5.16	-97.97
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000541676	0	41	-2.0	-103.27	363.46	8.16	-95.11
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000541676	1	40	-3.0	-170.23	364.38	8.24	-161.99
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300000541677	0	34	-2.0	-116.53	331.65	7.59	-108.94
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000541678	0	38	-2.0	-104.09	342.00	5.92	-98.17
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000541679	0	38	-2.0	-109.17	341.74	7.00	-102.17
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=NN1C(C)C	REAL300000541681	0	40	-2.0	-110.42	352.88	5.60	-104.82
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300000541682	1	38	-2.0	-111.04	349.65	7.98	-103.06
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000541683	0	33	-2.0	-110.64	319.02	4.91	-105.73
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(S(=O)(=O)F)=CS1	REAL300000541684	0	31	-2.0	-108.79	329.20	1.92	-106.87
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300000541686	1	38	-2.0	-112.26	351.29	8.03	-104.23
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300000541687	0	35	-2.0	-112.35	340.25	6.26	-106.09
CC1=CC(C(=O)[O-])=C(F)C=C1NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000541688	0	41	-2.0	-125.34	360.69	8.14	-117.20
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000541688	1	40	-3.0	-173.49	362.34	8.22	-165.27
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000541689	1	32	-2.0	-111.39	300.81	2.93	-108.46
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541690	1	40	-2.0	-116.75	357.07	7.56	-109.19
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000541691	0	34	-2.0	-113.60	327.47	6.72	-106.88
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000541692	0	27	-2.0	-101.97	275.45	3.40	-98.57
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000541693	0	35	-2.0	-120.24	337.68	5.06	-115.18
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300000541694	1	38	-2.0	-116.70	345.63	8.08	-108.62
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl	REAL300000541695	0	34	-2.0	-109.92	336.85	7.40	-102.52
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300000541696	0	38	-2.0	-109.72	357.70	6.85	-102.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C(C(F)F)=C1	REAL300000541697	1	38	-2.0	-107.27	347.06	6.12	-101.15
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541698	0	36	-2.0	-118.43	330.59	5.38	-113.05
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(F)=C(C(=O)[O-])C=C1C	REAL300000541699	0	37	-2.0	-126.68	342.91	7.28	-119.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C2=NC=CC=C12	REAL300000541700	0	39	-2.0	-127.00	347.52	6.95	-120.05
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000541701	0	36	-3.0	-169.29	338.28	6.28	-163.01
CCC1=C(S(=O)(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000541701	1	37	-2.0	-119.06	340.42	5.82	-113.24
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541702	0	44	-2.0	-120.58	379.24	7.79	-112.79
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)C=C(Cl)S1	REAL300000541703	0	31	-2.0	-104.78	316.35	6.17	-98.61
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000541704	0	27	-2.0	-106.09	276.38	2.90	-103.19
CC1=CC(C(=O)[O-])=C(F)C=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000541705	0	38	-2.0	-111.08	335.52	5.11	-105.97
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(C(=O)[O-])C=C2C)=C1	REAL300000541706	0	34	-2.0	-115.42	316.71	6.52	-108.90
CN(C1=CC=CC(F)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000541739	0	34	-2.0	-109.35	325.09	7.16	-102.19
CN(C1=CC=CC(F)=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000541770	0	32	-2.0	-114.00	297.66	5.05	-108.95
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000541812	1	41	-2.0	-108.29	365.37	7.66	-100.63
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000541813	1	41	-2.0	-98.08	360.81	7.63	-90.45
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000541814	1	41	-2.0	-111.15	360.84	7.63	-103.52
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000541815	1	45	-2.0	-97.55	392.28	8.92	-88.63
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000541816	1	44	-2.0	-112.33	376.85	8.16	-104.17
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C2=CC=CC=C12	REAL300000541817	1	47	-2.0	-113.98	393.23	8.93	-105.05
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C2=CC=CC=C12	REAL300000541818	0	41	-2.0	-108.70	366.31	7.69	-101.01
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000541819	1	47	-2.0	-96.91	404.40	9.22	-87.69
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=CC=C12	REAL300000541820	0	38	-2.0	-105.18	354.02	6.64	-98.54
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C2=CC=CC=C12	REAL300000541821	1	44	-2.0	-112.08	376.27	8.41	-103.67
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000541822	0	42	-2.0	-109.24	367.48	6.97	-102.27
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C2=CC=CC=C12	REAL300000541823	0	41	-2.0	-101.18	369.97	7.31	-93.87
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C2=CC=CC=C12	REAL300000541824	1	47	-2.0	-113.31	392.28	8.95	-104.36
CCOC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000541825	0	38	-2.0	-106.68	352.48	6.66	-100.02
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C2=CC=CC=C12	REAL300000541826	1	47	-2.0	-110.21	389.06	9.27	-100.94
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000541827	0	41	-2.0	-104.62	363.84	6.76	-97.86
CCOC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000541828	0	41	-2.0	-108.35	369.46	7.52	-100.83
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C2=CC=CC=C12	REAL300000541829	1	41	-2.0	-97.50	365.35	7.67	-89.83
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=CC=C12	REAL300000541830	0	38	-2.0	-99.91	353.09	6.76	-93.15
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000541831	1	41	-2.0	-101.71	367.24	7.69	-94.02
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C2=CC=CC=C12	REAL300000541832	0	41	-2.0	-97.62	366.30	7.70	-89.92
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C2=CC=CC=C12	REAL300000541833	0	42	-2.0	-111.19	370.55	5.34	-105.85
CCOC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C12	REAL300000541833	1	42	-2.0	-107.60	364.97	6.15	-101.45
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300000541834	1	44	-2.0	-101.94	383.00	8.41	-93.53
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C2=CC=CC=C12	REAL300000541835	1	44	-2.0	-106.85	370.87	8.27	-98.58
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C2=CC=CC=C12	REAL300000541836	1	44	-2.0	-98.15	376.25	8.40	-89.75
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000541837	1	47	-2.0	-114.32	393.71	8.70	-105.62
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C2=CC=CC=C12	REAL300000541838	1	47	-2.0	-110.90	395.31	9.02	-101.88
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000541839	1	47	-2.0	-113.03	394.77	8.81	-104.22
CCOC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000541840	0	45	-2.0	-110.57	388.86	7.84	-102.73
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C2=CC=CC=C12	REAL300000541841	1	44	-2.0	-98.27	376.84	8.17	-90.10
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C2=CC=CC=C12	REAL300000541842	0	41	-2.0	-115.11	364.47	7.65	-107.46
CCOC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=CC=C12	REAL300000541843	0	40	-2.0	-108.91	357.05	5.74	-103.17
CCOC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000541844	0	38	-2.0	-98.39	360.94	6.61	-91.78
CCOC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000541845	0	44	-2.0	-104.30	382.96	7.61	-96.69
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000541846	1	41	-2.0	-106.32	367.50	7.53	-98.79
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2C=C1	REAL300000541847	1	41	-2.0	-96.33	362.95	7.50	-88.83
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2C=C1	REAL300000541848	1	41	-2.0	-108.96	362.97	7.50	-101.46
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2C=C1	REAL300000541849	1	45	-2.0	-95.80	394.42	8.79	-87.01
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000541850	1	44	-2.0	-110.14	378.99	8.03	-102.11
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2C=C1	REAL300000541851	1	47	-2.0	-111.93	395.65	8.85	-103.08
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2C=C1	REAL300000541852	0	41	-2.0	-106.24	368.45	7.56	-98.68
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2C=C1	REAL300000541853	1	47	-2.0	-95.16	406.53	9.09	-86.07
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2C=C1	REAL300000541854	0	38	-2.0	-103.19	356.15	6.52	-96.67
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2C=C1	REAL300000541855	1	44	-2.0	-109.74	378.40	8.29	-101.45
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000541856	0	42	-2.0	-107.31	369.62	6.85	-100.46
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2C=C1	REAL300000541857	0	41	-2.0	-99.35	372.08	7.18	-92.17
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2C=C1	REAL300000541859	0	38	-2.0	-104.60	354.62	6.55	-98.05
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3CC)C=C2C=C1	REAL300000541860	1	47	-2.0	-107.90	393.09	9.23	-98.67
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2C=C1	REAL300000541861	0	41	-2.0	-102.80	365.97	6.64	-96.16
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2C=C1	REAL300000541862	1	41	-2.0	-106.16	371.57	7.40	-98.76
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2C=C1	REAL300000541863	1	41	-2.0	-95.78	367.48	7.54	-88.24
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2C=C1	REAL300000541864	0	38	-2.0	-98.12	355.24	6.63	-91.49
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2C=C1	REAL300000541865	1	41	-2.0	-99.81	369.37	7.56	-92.25
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2C=C1	REAL300000541866	0	41	-2.0	-95.74	368.43	7.57	-88.17
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2C=C1	REAL300000541867	0	42	-2.0	-108.73	372.68	5.21	-103.52
CCOC1=CC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2C=C1	REAL300000541867	1	42	-2.0	-107.95	371.92	6.01	-101.94
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2C=C1	REAL300000541868	1	44	-2.0	-99.90	385.13	8.28	-91.62
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2C=C1	REAL300000541869	1	44	-2.0	-105.22	372.52	8.18	-97.04
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000541871	1	47	-2.0	-113.49	399.77	8.67	-104.82
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000541873	1	47	-2.0	-110.79	397.20	8.68	-102.11
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CN(CC)C(C(=O)[O-])=C3)C=C2C=C1	REAL300000541874	0	45	-2.0	-108.57	390.98	7.72	-100.85
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2C=C1	REAL300000541875	1	44	-2.0	-96.50	378.98	8.04	-88.46
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2C=C1	REAL300000541876	0	41	-2.0	-113.20	366.63	7.53	-105.67
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2C=C1	REAL300000541877	0	40	-2.0	-106.67	359.19	5.63	-101.04
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2C=C1	REAL300000541878	0	38	-2.0	-96.63	363.11	6.47	-90.16
CCOC1=CC2=CC=C([N-]S(=O)(=O)C3=C(CC)OC(C(=O)[O-])=C3)C=C2C=C1	REAL300000541879	0	44	-2.0	-102.64	385.10	7.49	-95.15
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000541880	1	42	-2.0	-89.91	373.07	1.84	-88.07
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000541881	1	35	-2.0	-106.38	323.17	3.19	-103.19
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC([C@@H](C)O)=C1	REAL300000541882	0	43	-2.0	-107.83	376.21	4.33	-103.50
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000541883	1	35	-2.0	-96.47	316.57	3.26	-93.21
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000541884	1	35	-2.0	-109.46	316.58	3.26	-106.20
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC([C@@H](C)O)=C1	REAL300000541885	0	39	-2.0	-115.00	344.74	3.05	-111.95
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000541886	1	39	-2.0	-95.99	348.06	4.55	-91.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)C=C1C(=O)[O-]	REAL300000541887	1	38	-2.0	-110.22	334.63	3.68	-106.54
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000541888	0	35	-2.0	-104.81	329.65	3.84	-100.97
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000541889	1	35	-2.0	-104.59	329.12	3.63	-100.96
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000541890	0	35	-2.0	-100.30	342.16	4.19	-96.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)=C1C	REAL300000541891	1	41	-2.0	-112.44	349.27	4.60	-107.84
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000541892	0	35	-2.0	-106.57	322.06	3.33	-103.24
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000541893	1	41	-2.0	-95.25	360.16	4.85	-90.40
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000541894	0	32	-2.0	-103.54	309.78	2.27	-101.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC([C@@H](C)O)=C1	REAL300000541895	1	38	-2.0	-110.22	332.03	4.04	-106.18
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000541897	0	36	-2.0	-107.78	325.26	2.50	-105.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)=C1	REAL300000541899	0	35	-2.0	-99.35	325.71	2.92	-96.43
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000541901	0	32	-2.0	-104.47	308.23	2.30	-102.17
COC1=CC(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)=CC(C(=O)[O-])=C1OC	REAL300000541902	1	43	-2.0	-109.04	374.90	3.07	-105.97
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000541904	1	45	-2.0	-114.27	371.85	5.87	-108.40
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC([C@@H](C)O)=C1	REAL300000541905	1	44	-2.0	-112.62	370.50	5.27	-107.35
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC([C@@H](C)O)=C1	REAL300000541906	1	41	-2.0	-108.98	348.78	4.87	-104.11
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC([C@@H](C)O)=C1	REAL300000541907	0	42	-2.0	-114.58	367.02	3.80	-110.78
C[C@@H](O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000541908	0	38	-2.0	-110.82	353.53	3.59	-107.23
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000541908	1	37	-3.0	-184.56	345.01	3.82	-180.74
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000541909	1	42	-2.0	-114.63	360.83	5.16	-109.47
CC1=C(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)C=C(C(=O)[O-])O1	REAL300000541910	0	35	-2.0	-103.03	319.58	2.40	-100.63
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000541911	1	41	-2.0	-114.22	358.78	3.03	-111.19
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)=C1	REAL300000541912	0	39	-2.0	-110.13	345.51	2.34	-107.79
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000541914	1	35	-2.0	-98.36	344.28	4.09	-94.27
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000541915	0	35	-2.0	-101.38	334.18	3.85	-97.53
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000541916	1	39	-2.0	-93.12	363.70	4.07	-89.05
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000541918	1	45	-2.0	-93.94	396.35	4.50	-89.44
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC([C@@H](C)O)=C1	REAL300000541919	1	38	-2.0	-100.94	339.32	3.97	-96.97
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000541921	1	39	-2.0	-94.05	353.90	3.59	-90.46
CC1=C(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)C=C(C(=O)[O-])S1	REAL300000541923	1	35	-2.0	-106.39	326.29	3.14	-103.25
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000541924	0	35	-2.0	-98.52	344.80	4.28	-94.24
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000541925	0	35	-2.0	-94.08	331.65	3.72	-90.36
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000541926	1	35	-2.0	-95.94	321.12	3.30	-92.64
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000541927	0	32	-2.0	-98.12	308.85	2.40	-95.72
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000541928	1	35	-2.0	-100.14	322.98	3.33	-96.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)=C1F	REAL300000541929	0	38	-2.0	-108.02	342.37	3.95	-104.07
COC1=CC(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000541930	0	39	-2.0	-98.70	358.92	3.78	-94.92
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000541931	0	35	-2.0	-95.83	322.04	3.34	-92.49
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000541932	1	35	-2.0	-94.06	329.09	3.66	-90.40
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC([C@@H](C)O)=C1	REAL300000541933	1	38	-2.0	-102.32	346.03	4.44	-97.88
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000541934	1	43	-2.0	-93.01	382.35	4.57	-88.44
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000541935	1	35	-2.0	-97.82	329.45	3.25	-94.57
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000541936	0	37	-2.0	-94.13	344.80	3.91	-90.22
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000541937	0	36	-2.0	-109.44	328.31	0.86	-108.58
C[C@@H](O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000541937	1	36	-2.0	-107.67	325.39	1.83	-105.84
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000541938	1	38	-2.0	-100.11	338.76	4.04	-96.07
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000541939	1	35	-2.0	-99.12	337.32	3.77	-95.35
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC([C@@H](C)O)=C1	REAL300000541940	1	38	-2.0	-105.02	326.63	3.89	-101.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)=CC(C(=O)[O-])=C1F	REAL300000541941	1	38	-2.0	-108.16	341.45	3.91	-104.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)=CC(C(=O)[O-])=C1C	REAL300000541943	1	41	-2.0	-111.99	349.48	4.31	-107.68
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000541944	0	37	-2.0	-107.55	343.17	4.34	-103.21
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000541945	0	35	-2.0	-98.22	330.35	3.28	-94.94
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)C=C1C(=O)[O-]	REAL300000541947	0	38	-2.0	-108.93	341.91	3.94	-104.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)=C1Cl	REAL300000541948	0	38	-2.0	-106.65	348.34	4.38	-102.27
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)=C1	REAL300000541949	0	38	-2.0	-113.78	343.65	3.85	-109.93
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)C=C1C(=O)[O-]	REAL300000541950	1	41	-2.0	-111.03	352.83	4.34	-106.69
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC([C@@H](C)O)=C1	REAL300000541952	1	38	-2.0	-98.28	342.86	4.43	-93.85
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000541953	1	38	-2.0	-93.03	348.74	3.96	-89.07
CC1=CC(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000541954	1	38	-2.0	-107.01	347.84	4.20	-102.81
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)C=C1C(=O)[O-]	REAL300000541955	0	39	-2.0	-109.12	346.63	3.38	-105.74
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000541957	0	35	-2.0	-96.67	342.20	3.81	-92.86
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)C=C1C(=O)[O-]	REAL300000541958	1	38	-2.0	-103.33	350.32	4.33	-99.00
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000541959	0	44	-2.0	-106.26	366.03	5.39	-100.87
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)C=C1C(=O)[O-]	REAL300000541960	0	39	-2.0	-110.35	356.90	3.89	-106.46
CC1=CC(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)=CC=C1C(=O)[O-]	REAL300000541961	1	38	-2.0	-96.72	332.60	3.80	-92.92
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000541962	0	40	-2.0	-101.79	359.84	5.46	-96.33
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000541964	0	37	-2.0	-116.01	342.34	5.00	-111.01
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000541965	0	35	-2.0	-112.97	322.27	3.19	-109.78
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)C=C1C(=O)[O-]	REAL300000541966	1	38	-2.0	-101.44	341.51	3.94	-97.50
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000541967	1	41	-2.0	-117.16	357.64	5.36	-111.80
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000541968	0	34	-2.0	-106.30	313.58	1.31	-104.99
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC([C@@H](C)O)=C1	REAL300000541969	0	39	-2.0	-100.88	344.80	3.04	-97.84
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000541970	0	32	-2.0	-96.69	316.74	2.23	-94.46
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000541971	1	42	-2.0	-103.34	362.72	5.14	-98.20
C[C@@H](O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000541972	1	42	-2.0	-107.12	362.02	5.15	-101.97
CCC1=C(S(=O)(=O)[N-]C2=CC=CC([C@@H](C)O)=C2)C=C(C(=O)[O-])O1	REAL300000541973	0	38	-2.0	-102.88	338.71	3.25	-99.63
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000541974	1	38	-2.0	-112.17	343.04	6.24	-105.93
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C2N1	REAL300000541975	1	38	-2.0	-102.07	338.50	6.22	-95.85
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000541976	1	38	-2.0	-115.05	338.51	6.21	-108.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(C)=C(C)C2=C1	REAL300000541977	0	42	-2.0	-120.35	366.65	6.01	-114.34
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C2N1	REAL300000541978	1	42	-2.0	-101.32	370.81	7.55	-93.77
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000541979	1	41	-2.0	-116.27	354.53	6.75	-109.52
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C2N1	REAL300000541980	0	38	-2.0	-110.09	352.43	6.83	-103.26
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000541981	1	38	-2.0	-110.64	351.01	6.60	-104.04
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=C(C)C(C)=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000541982	1	44	-2.0	-117.27	370.90	7.52	-109.75
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2N1	REAL300000541983	0	38	-2.0	-111.95	344.84	6.32	-105.63
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C2N1	REAL300000541984	1	44	-2.0	-100.54	382.93	7.85	-92.69
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2N1	REAL300000541985	0	35	-2.0	-109.09	332.54	5.27	-103.82
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C2N1	REAL300000541986	1	41	-2.0	-115.31	354.79	7.05	-108.26
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000541988	0	39	-2.0	-113.37	345.16	5.57	-107.80
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3NC(C)=C(C)C3=C2)=C1	REAL300000541990	0	38	-2.0	-105.06	347.62	5.90	-99.16
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2N1	REAL300000541992	0	35	-2.0	-110.59	330.16	5.25	-105.34
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)=CC=C2N1	REAL300000541994	1	48	-2.0	-119.46	393.75	8.84	-110.62
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)=CC=C2N1	REAL300000541995	1	47	-2.0	-117.55	392.41	8.22	-109.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(C)=C(C)C2=C1	REAL300000541996	1	44	-2.0	-113.34	368.63	7.95	-105.39
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2NC(C)=C(C)C2=C1	REAL300000541997	0	45	-2.0	-119.83	388.94	6.77	-113.06
CC1=C(C)C2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000541998	0	41	-2.0	-112.52	369.39	6.78	-105.74
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000541998	1	40	-3.0	-191.79	366.91	6.78	-185.01
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C2N1	REAL300000541999	1	45	-2.0	-119.79	382.76	8.11	-111.68
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000542000	0	38	-2.0	-108.13	342.37	5.39	-102.74
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC=C2N1	REAL300000542001	0	42	-2.0	-116.12	367.50	5.31	-110.81
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=CC=C2N1	REAL300000542002	0	38	-2.0	-106.49	356.96	6.84	-99.65
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=CC=C2N1	REAL300000542004	1	41	-2.0	-105.71	359.23	7.04	-98.67
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=CC=C2N1	REAL300000542005	1	42	-2.0	-99.27	375.80	6.56	-92.71
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C2N1	REAL300000542007	0	38	-2.0	-111.44	348.20	6.11	-105.33
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C2N1	REAL300000542008	0	38	-2.0	-99.46	351.56	6.77	-92.69
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2N1	REAL300000542009	1	38	-2.0	-101.34	343.03	6.25	-95.09
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2N1	REAL300000542010	0	35	-2.0	-103.78	331.63	5.39	-98.39
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000542011	1	38	-2.0	-105.62	344.91	6.28	-99.34
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=C(F)C(C)=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000542012	0	41	-2.0	-113.52	364.26	6.91	-106.61
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2N1	REAL300000542013	0	38	-2.0	-101.62	343.97	6.28	-95.34
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C2N1	REAL300000542014	1	38	-2.0	-99.54	350.99	6.61	-92.93
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)=CC=C2N1	REAL300000542015	1	41	-2.0	-107.45	367.95	7.42	-100.03
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000542016	1	38	-2.0	-103.47	349.33	6.30	-97.17
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC=C2N1	REAL300000542017	0	40	-2.0	-99.55	366.70	6.88	-92.67
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2N1	REAL300000542018	0	39	-2.0	-113.93	348.23	3.91	-110.02
CC1=C(C)C2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2N1	REAL300000542018	1	39	-2.0	-108.98	338.09	4.86	-104.12
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2N1	REAL300000542019	1	41	-2.0	-105.40	361.53	7.04	-98.36
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000542020	1	38	-2.0	-105.02	359.21	6.74	-98.28
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C2N1	REAL300000542021	1	41	-2.0	-111.49	348.55	6.85	-104.64
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C(C)=C3)=CC=C2N1	REAL300000542022	1	41	-2.0	-113.65	363.34	6.86	-106.79
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C(C)=C3)=CC=C2N1	REAL300000542024	1	44	-2.0	-119.72	375.31	7.38	-112.34
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=CC=C2N1	REAL300000542025	0	40	-2.0	-112.65	365.06	7.31	-105.34
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C2N1	REAL300000542026	0	38	-2.0	-103.46	350.27	6.34	-97.12
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=C(F)C=C(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000542028	0	41	-2.0	-114.44	363.82	6.91	-107.53
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=C(Cl)C(C)=CC(C(=O)[O-])=C3)=CC=C2N1	REAL300000542029	0	41	-2.0	-111.96	370.29	7.35	-104.61
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC=C2N1	REAL300000542030	0	41	-2.0	-120.55	363.55	6.90	-113.65
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C)=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000542031	1	44	-2.0	-117.07	372.44	7.40	-109.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3NC(C)=C(C)C3=C2)C=C1CC(=O)[O-]	REAL300000542032	1	45	-2.0	-116.18	388.97	6.34	-109.84
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)=CC=C2N1	REAL300000542033	1	41	-2.0	-104.36	365.30	7.36	-97.00
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C(C)=C3)=CC=C2N1	REAL300000542034	1	41	-2.0	-112.57	369.73	7.17	-105.40
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3NC(C)=C(C)C3=C2)C=C1C(=O)[O-]	REAL300000542035	0	42	-2.0	-114.67	366.45	6.42	-108.25
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000542036	1	41	-2.0	-109.50	372.25	7.28	-102.22
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C2N1	REAL300000542037	1	41	-2.0	-102.29	354.51	6.76	-95.53
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=CC=C2N1	REAL300000542038	1	41	-2.0	-112.35	359.31	7.08	-105.27
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=CC=C2N1	REAL300000542039	0	40	-2.0	-122.77	362.23	8.07	-114.70
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2N1	REAL300000542040	0	38	-2.0	-119.69	342.17	6.25	-113.44
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000542041	1	41	-2.0	-107.58	363.44	6.89	-100.69
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C2N1	REAL300000542042	1	44	-2.0	-123.54	379.54	8.33	-115.21
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2N1	REAL300000542043	0	37	-2.0	-112.81	334.72	4.33	-108.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2NC(C)=C(C)C2=C1	REAL300000542044	0	42	-2.0	-106.49	366.71	6.01	-100.48
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2N1	REAL300000542045	0	35	-2.0	-102.05	338.65	5.19	-96.86
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C2N1	REAL300000542046	1	45	-2.0	-108.57	384.64	8.09	-100.48
CC1=C(C)C2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C2N1	REAL300000542047	1	45	-2.0	-113.12	383.95	8.10	-105.02
CCC1=C(S(=O)(=O)[N-]C2=CC=C3NC(C)=C(C)C3=C2)C=C(C(=O)[O-])O1	REAL300000542048	0	41	-2.0	-107.77	361.49	6.25	-101.52
COC1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000542072	0	40	-2.0	-109.65	352.02	5.46	-104.19
COC1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000542091	0	38	-2.0	-105.84	333.61	3.67	-102.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=CC=C1F	REAL300000542121	1	34	-2.0	-99.74	329.94	6.72	-93.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1	REAL300000542123	1	34	-2.0	-102.04	325.42	6.68	-95.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)CF)C=C1	REAL300000542124	0	38	-2.0	-107.60	353.56	6.49	-101.11
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)C=C1	REAL300000542125	1	38	-2.0	-90.55	356.85	7.98	-82.57
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1	REAL300000542127	0	34	-2.0	-98.12	338.49	7.26	-90.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=CC=C1Cl	REAL300000542128	1	34	-2.0	-98.03	337.91	7.07	-90.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1C	REAL300000542129	1	40	-2.0	-105.20	357.81	8.00	-97.20
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1	REAL300000542130	0	34	-2.0	-99.54	330.89	6.75	-92.79
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)C=C1	REAL300000542131	1	40	-2.0	-89.66	368.97	8.27	-81.39
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1	REAL300000542132	0	31	-2.0	-96.75	318.60	5.70	-91.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)CF)C=C1	REAL300000542133	1	37	-2.0	-103.34	340.85	7.47	-95.87
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)C=C1C(=O)[O-]	REAL300000542135	1	35	-2.0	-100.67	332.06	6.03	-94.64
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1	REAL300000542137	0	34	-2.0	-93.62	334.51	6.36	-87.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=CS1	REAL300000542139	0	31	-2.0	-98.04	317.04	5.72	-92.32
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)CF)C=C1	REAL300000542141	1	40	-2.0	-101.90	355.56	8.40	-93.50
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1	REAL300000542142	1	41	-2.0	-108.51	369.64	8.58	-99.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)C=C(C(=O)[O-])O1	REAL300000542143	0	34	-2.0	-96.70	328.42	5.82	-90.88
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1	REAL300000542144	0	38	-2.0	-104.25	354.38	5.78	-98.47
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)CF)C=C1	REAL300000542145	1	37	-2.0	-94.11	346.14	7.51	-86.60
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)C=C(C(=O)[O-])S1	REAL300000542146	1	34	-2.0	-100.00	334.02	6.58	-93.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)C(Cl)=C1	REAL300000542147	0	34	-2.0	-88.37	338.47	7.25	-81.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)C=C1F	REAL300000542148	1	34	-2.0	-90.44	329.94	6.73	-83.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)S1	REAL300000542149	0	31	-2.0	-92.42	317.69	5.82	-86.60
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1	REAL300000542150	1	34	-2.0	-93.22	331.81	6.75	-86.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1F	REAL300000542151	0	37	-2.0	-100.90	351.17	7.39	-93.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)C(F)=C1	REAL300000542152	0	34	-2.0	-90.17	330.88	6.76	-83.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)C=C1Cl	REAL300000542153	1	34	-2.0	-88.40	337.91	7.09	-81.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=CC(F)=C1F	REAL300000542154	1	34	-2.0	-92.54	336.23	6.78	-85.76
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1	REAL300000542155	0	35	-2.0	-102.47	335.13	4.39	-98.08
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(F)(F)CF)C=C2)=C1	REAL300000542155	1	35	-2.0	-99.93	334.32	5.19	-94.74
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)C=C1	REAL300000542156	1	37	-2.0	-94.11	347.57	7.46	-86.65
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)CF)C=C1	REAL300000542157	1	37	-2.0	-100.21	339.24	7.43	-92.78
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=CC(C(=O)[O-])=C1F	REAL300000542158	1	37	-2.0	-102.27	350.24	7.34	-94.93
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1	REAL300000542161	0	34	-2.0	-91.43	337.15	6.81	-84.62
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)C=C1C(=O)[O-]	REAL300000542163	0	37	-2.0	-100.58	346.89	7.29	-93.29
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1	REAL300000542164	0	37	-2.0	-107.79	350.43	7.38	-100.41
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)C=C1C(=O)[O-]	REAL300000542166	1	38	-2.0	-101.86	353.42	6.91	-94.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1F	REAL300000542169	0	34	-2.0	-107.03	329.06	6.72	-100.31
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)C=C1C(=O)[O-]	REAL300000542170	1	37	-2.0	-95.87	350.37	7.35	-88.52
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C1	REAL300000542171	0	33	-2.0	-99.86	321.60	4.80	-95.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(F)(F)CF)C=C1	REAL300000542172	0	38	-2.0	-94.77	353.62	6.48	-88.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)=C(Cl)O1	REAL300000542173	0	31	-2.0	-90.71	325.55	5.66	-85.05
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(F)(F)CF)C=C3)C=C2)CC1	REAL300000542174	1	41	-2.0	-95.96	369.38	8.51	-87.45
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(F)(F)CF)C=C3)C=C2C1	REAL300000542175	1	41	-2.0	-99.85	370.85	8.58	-91.27
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)CF)C=C2)C=C(C(=O)[O-])O1	REAL300000542176	0	37	-2.0	-96.71	347.53	6.67	-90.04
CC1C2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C1C	REAL300000542204	0	41	-2.0	-112.84	350.27	8.41	-104.43
CC1C2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1C	REAL300000542229	0	39	-2.0	-111.98	322.16	6.89	-105.09
CCC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000542295	0	40	-2.0	-112.27	360.82	8.32	-103.95
CCC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000542326	0	38	-2.0	-107.50	335.89	6.54	-100.96
CN(C1=CC=C2OCCOC2=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000542387	0	40	-2.0	-111.50	363.22	6.24	-105.26
CN(C1=CC=C2OCCOC2=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000542406	0	38	-2.0	-116.33	335.75	4.13	-112.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C3=CC=NC=C3)N=C2)C=C1	REAL300000542436	0	37	-2.0	-89.63	351.62	4.92	-84.71
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C(F)F)N(C3=CC=NC=C3)N=C2)=C1	REAL300000542437	0	37	-2.0	-103.64	349.80	4.98	-98.66
CN1C=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C3=CC=NC=C3)N=C2)C=C1C(=O)[O-]	REAL300000542438	0	38	-2.0	-99.28	358.28	4.28	-95.00
CC1=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C3=CC=NC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000542439	0	37	-2.0	-95.53	354.64	4.07	-91.46
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(C(F)F)N(C3=CC=NC=C3)N=C2)=C1	REAL300000542440	0	36	-2.0	-98.43	347.84	3.05	-95.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=CC=C1F	REAL300000542441	0	37	-2.0	-108.20	338.14	3.89	-104.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1	REAL300000542442	0	37	-2.0	-98.45	333.93	3.82	-94.63
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1	REAL300000542443	0	37	-2.0	-110.85	333.61	3.86	-106.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1COC1	REAL300000542444	0	41	-2.0	-116.08	361.75	3.66	-112.42
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1	REAL300000542445	0	41	-2.0	-97.62	365.40	5.11	-92.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1C(=O)[O-]	REAL300000542446	0	40	-2.0	-112.15	349.69	4.40	-107.75
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1	REAL300000542447	0	37	-2.0	-105.86	346.68	4.45	-101.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=CC=C1Cl	REAL300000542448	0	37	-2.0	-106.59	346.12	4.26	-102.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1C	REAL300000542449	0	43	-2.0	-113.16	366.71	5.19	-107.97
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1	REAL300000542450	0	37	-2.0	-107.96	339.09	3.93	-104.03
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1	REAL300000542451	0	43	-2.0	-96.84	377.53	5.40	-91.44
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1	REAL300000542452	0	34	-2.0	-105.22	327.14	2.83	-102.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1COC1	REAL300000542453	0	40	-2.0	-111.27	349.05	4.65	-106.62
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1	REAL300000542454	0	41	-2.0	-96.21	365.02	4.10	-92.11
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1C(=O)[O-]	REAL300000542455	0	38	-2.0	-109.34	340.60	3.16	-106.18
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1COC1	REAL300000542456	0	41	-2.0	-111.47	357.81	2.68	-108.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1	REAL300000542457	0	37	-2.0	-101.01	342.74	3.54	-97.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1C(=O)[O-]	REAL300000542458	0	43	-2.0	-112.55	365.11	5.19	-107.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=CS1	REAL300000542459	0	34	-2.0	-106.57	325.61	2.85	-103.72
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1C(=O)[O-]	REAL300000542460	0	41	-2.0	-116.71	360.89	3.93	-112.78
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1COC1	REAL300000542461	0	46	-2.0	-113.49	387.51	5.88	-107.61
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1COC1	REAL300000542462	0	43	-2.0	-109.09	363.75	5.59	-103.50
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1COC1	REAL300000542463	0	44	-2.0	-116.77	384.04	4.42	-112.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=CC(C(=O)[O-])=C1	REAL300000542464	0	39	-3.0	-187.31	362.02	4.43	-182.88
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2OC2COC2)=CC(C(=O)[O-])=C1	REAL300000542464	1	40	-2.0	-108.35	361.44	4.34	-104.01
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1	REAL300000542465	0	44	-2.0	-115.83	377.86	5.76	-110.07
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C(C(=O)[O-])O1	REAL300000542466	0	37	-2.0	-104.44	336.62	3.00	-101.44
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1	REAL300000542467	0	41	-2.0	-111.29	362.58	2.95	-108.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=CC=C1OCC(=O)[O-]	REAL300000542468	0	44	-2.0	-96.78	385.11	4.81	-91.97
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1COC1	REAL300000542469	0	40	-2.0	-101.84	354.67	4.62	-97.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1F	REAL300000542470	0	41	-2.0	-95.09	370.90	4.21	-90.88
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1C(=O)[O-]	REAL300000542471	0	44	-2.0	-116.86	382.75	4.84	-112.02
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C(C(=O)[O-])S1	REAL300000542472	0	37	-2.0	-107.69	342.24	3.76	-103.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C(Cl)=C1	REAL300000542473	0	37	-2.0	-95.26	346.66	4.44	-90.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1F	REAL300000542474	0	37	-2.0	-97.30	338.13	3.90	-93.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)S1	REAL300000542475	0	34	-2.0	-99.77	325.87	2.99	-96.78
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1	REAL300000542476	0	37	-2.0	-101.29	340.02	3.93	-97.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1F	REAL300000542477	0	40	-2.0	-109.51	359.36	4.56	-104.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C(F)=C1	REAL300000542478	0	37	-2.0	-97.42	339.07	3.94	-93.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1Cl	REAL300000542479	0	37	-2.0	-95.45	346.10	4.27	-91.18
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1COC1	REAL300000542480	0	40	-2.0	-103.54	363.40	5.01	-98.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=CC(F)=C1F	REAL300000542481	0	37	-2.0	-99.61	344.43	3.96	-95.65
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1	REAL300000542482	0	39	-2.0	-95.63	361.80	4.53	-91.10
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1	REAL300000542483	0	38	-2.0	-110.00	343.33	1.57	-108.43
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1	REAL300000542484	0	40	-2.0	-101.82	356.13	4.59	-97.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1COC1	REAL300000542485	0	40	-2.0	-107.62	344.07	4.45	-103.17
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=CC(C(=O)[O-])=C1F	REAL300000542486	0	40	-2.0	-109.16	358.44	4.52	-104.64
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1COC1	REAL300000542487	0	40	-2.0	-98.30	349.37	4.59	-93.71
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=CC(C(=O)[O-])=C1C	REAL300000542488	0	43	-2.0	-114.17	366.54	4.94	-109.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=CC=C1[N+](=O)[O-]	REAL300000542489	0	39	-2.0	-108.89	360.21	4.94	-103.95
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1	REAL300000542490	0	37	-2.0	-99.56	345.35	3.99	-95.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C(C)=C1C(=O)[O-]	REAL300000542491	0	43	-2.0	-110.83	368.18	5.26	-105.57
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1C(=O)[O-]	REAL300000542492	0	40	-2.0	-109.16	355.14	4.47	-104.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1Cl	REAL300000542493	0	40	-2.0	-107.67	365.39	5.00	-102.67
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1	REAL300000542494	0	40	-2.0	-115.60	358.63	4.56	-111.04
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1C(=O)[O-]	REAL300000542495	0	43	-2.0	-112.69	367.17	5.05	-107.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1CC(=O)[O-]	REAL300000542496	0	44	-2.0	-113.56	384.07	4.00	-109.56
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1COC1	REAL300000542497	0	40	-2.0	-100.82	360.13	4.99	-95.83
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=CC(C(=O)[O-])=C1Cl	REAL300000542498	0	40	-2.0	-108.01	364.83	4.82	-103.19
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1C(=O)[O-]	REAL300000542499	0	41	-2.0	-110.50	361.63	4.08	-106.42
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1C(=O)[O-]	REAL300000542500	0	40	-2.0	-104.21	363.52	4.83	-99.38
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=CC=C1C(=O)[O-]	REAL300000542501	0	40	-2.0	-98.62	350.05	4.37	-94.25
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1COC1	REAL300000542502	0	40	-2.0	-108.47	353.56	4.68	-103.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1[N+](=O)[O-]	REAL300000542503	0	39	-2.0	-117.49	357.33	5.71	-111.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1F	REAL300000542504	0	37	-2.0	-115.94	337.59	3.84	-112.10
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C1C(=O)[O-]	REAL300000542505	0	40	-2.0	-102.50	354.82	4.44	-98.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=CC2=CC=CC=C21	REAL300000542506	0	43	-2.0	-119.98	375.01	5.93	-114.05
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C1	REAL300000542507	0	36	-2.0	-109.27	330.17	1.93	-107.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1OC1COC1	REAL300000542508	0	41	-2.0	-102.20	361.81	3.66	-98.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)=C(Cl)O1	REAL300000542509	0	34	-2.0	-98.29	333.72	2.83	-95.46
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3OC3COC3)C=C2)CC1	REAL300000542510	0	44	-2.0	-104.58	380.08	5.69	-98.89
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3OC3COC3)C=C2C1	REAL300000542511	0	44	-2.0	-107.50	377.70	5.72	-101.78
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OC2COC2)C=C(C(=O)[O-])O1	REAL300000542512	0	40	-2.0	-104.11	356.07	3.80	-100.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=CC=C1F	REAL300000542513	0	33	-2.0	-104.46	324.91	5.96	-98.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1	REAL300000542514	0	33	-2.0	-94.47	320.36	5.94	-88.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C1	REAL300000542515	0	33	-2.0	-107.06	320.37	5.94	-101.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=C(Cl)C=CC=C12	REAL300000542516	0	37	-2.0	-113.24	348.51	5.74	-107.50
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1	REAL300000542517	0	37	-2.0	-94.43	351.81	7.24	-87.19
CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1C(=O)[O-]	REAL300000542518	0	36	-2.0	-108.12	336.38	6.47	-101.65
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C1	REAL300000542519	0	33	-2.0	-103.28	333.44	6.51	-96.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=CC=C1Cl	REAL300000542520	0	33	-2.0	-102.85	332.88	6.33	-96.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C1C	REAL300000542521	0	39	-2.0	-110.52	353.47	7.27	-103.25
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C1	REAL300000542522	0	33	-2.0	-105.03	325.83	6.01	-99.02
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1	REAL300000542523	0	39	-2.0	-93.79	363.94	7.52	-86.27
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C1	REAL300000542524	0	30	-2.0	-101.25	313.55	4.97	-96.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=C(Cl)C=CC=C12	REAL300000542525	0	36	-2.0	-108.87	335.80	6.73	-102.14
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1	REAL300000542526	0	37	-2.0	-92.96	351.43	6.22	-86.74
CN1C=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1C(=O)[O-]	REAL300000542527	0	34	-2.0	-105.19	327.01	5.29	-99.90
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=C(Cl)C=CC=C12	REAL300000542528	0	37	-2.0	-109.23	344.57	4.77	-104.46
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C1	REAL300000542529	0	33	-2.0	-97.28	329.50	5.62	-91.66
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1C(=O)[O-]	REAL300000542530	0	39	-2.0	-110.04	351.81	7.26	-102.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=CS1	REAL300000542531	0	30	-2.0	-102.74	312.02	4.98	-97.76
COC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1C(=O)[O-]	REAL300000542532	0	37	-2.0	-112.71	347.65	6.01	-106.70
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=C(Cl)C=CC=C12	REAL300000542533	0	39	-2.0	-107.33	348.77	7.61	-99.72
CC1=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C(C(=O)[O-])O1	REAL300000542534	0	33	-2.0	-101.29	323.38	5.09	-96.20
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C1	REAL300000542535	0	37	-2.0	-107.51	349.33	5.03	-102.48
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=C(Cl)C=CC=C12	REAL300000542536	0	36	-2.0	-99.07	341.07	6.76	-92.31
CC1=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C(C(=O)[O-])S1	REAL300000542537	0	33	-2.0	-104.95	330.06	5.83	-99.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C(Cl)=C1	REAL300000542538	0	33	-2.0	-91.91	333.42	6.51	-85.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1F	REAL300000542539	0	33	-2.0	-93.96	324.90	5.97	-87.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)S1	REAL300000542540	0	30	-2.0	-96.14	312.62	5.06	-91.08
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C1	REAL300000542541	0	33	-2.0	-97.83	326.77	6.00	-91.83
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C1F	REAL300000542542	0	36	-2.0	-106.30	346.12	6.64	-99.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C(F)=C1	REAL300000542543	0	33	-2.0	-93.75	325.83	6.01	-87.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1Cl	REAL300000542544	0	33	-2.0	-92.01	332.87	6.34	-85.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=CC(F)=C1F	REAL300000542545	0	33	-2.0	-95.93	331.18	6.04	-89.89
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C1	REAL300000542546	0	34	-2.0	-108.13	330.08	3.66	-104.47
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1	REAL300000542547	0	36	-2.0	-98.66	342.54	6.72	-91.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=CC2=C(Cl)C=CC=C12	REAL300000542548	0	36	-2.0	-102.35	330.40	6.57	-95.78
CC1=CC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=CC(C(=O)[O-])=C1F	REAL300000542549	0	36	-2.0	-105.71	345.20	6.59	-99.12
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=CC2=C(Cl)C=CC=C12	REAL300000542550	0	36	-2.0	-94.73	335.78	6.72	-88.01
CC1=CC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=CC(C(=O)[O-])=C1C	REAL300000542551	0	39	-2.0	-109.90	353.83	7.02	-102.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C1	REAL300000542552	0	33	-2.0	-96.34	332.10	6.07	-90.27
CC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C(C)=C1C(=O)[O-]	REAL300000542553	0	39	-2.0	-106.41	354.84	7.33	-99.08
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1C(=O)[O-]	REAL300000542554	0	36	-2.0	-106.05	341.84	6.54	-99.51
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C1	REAL300000542555	0	36	-2.0	-110.89	345.38	6.63	-104.26
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1C(=O)[O-]	REAL300000542556	0	39	-2.0	-108.80	354.69	7.12	-101.68
CCN1C=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1C(=O)[O-]	REAL300000542557	0	37	-2.0	-106.40	348.31	6.15	-100.25
CC1=CC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=CC=C1C(=O)[O-]	REAL300000542558	0	36	-2.0	-94.62	336.37	6.49	-88.13
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=CC2=C(Cl)C=CC=C12	REAL300000542559	0	36	-2.0	-106.13	340.32	6.76	-99.37
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C1F	REAL300000542560	0	33	-2.0	-110.25	324.00	5.96	-104.29
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C1C(=O)[O-]	REAL300000542561	0	36	-2.0	-98.54	341.53	6.52	-92.02
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C1	REAL300000542562	0	32	-2.0	-104.58	316.58	4.07	-100.51
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=CC2=C(Cl)C=CC=C12	REAL300000542563	0	37	-2.0	-98.63	348.57	5.74	-92.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)=C(Cl)O1	REAL300000542564	0	30	-2.0	-94.86	320.47	4.92	-89.94
CCC1=C(S(=O)(=O)[N-]C2=CN=CC3=C(Cl)C=CC=C23)C=C(C(=O)[O-])O1	REAL300000542565	0	36	-2.0	-101.13	342.49	5.94	-95.19
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CN=C1Br	REAL300000542566	0	31	-2.0	-89.29	310.85	3.07	-86.22
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CN=C1Br	REAL300000542567	0	31	-2.0	-100.99	310.85	3.06	-97.93
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CN=C1Br	REAL300000542568	0	28	-2.0	-95.39	304.04	2.09	-93.30
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CN=C1Br	REAL300000542569	0	32	-2.0	-99.42	317.50	2.42	-97.00
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CN=C1Br	REAL300000542570	0	28	-2.0	-96.94	302.50	2.10	-94.84
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CN=C1Br	REAL300000542571	0	31	-2.0	-95.82	313.89	2.21	-93.61
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CN=C1Br	REAL300000542572	0	28	-2.0	-90.57	303.11	2.18	-88.39
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CN=C1Br	REAL300000542573	0	30	-2.0	-98.67	307.84	1.13	-97.54
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1F	REAL300000542574	0	34	-2.0	-103.96	324.92	1.58	-102.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1F	REAL300000542574	1	33	-3.0	-162.47	322.46	1.59	-160.88
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300000542575	0	34	-2.0	-101.37	324.62	1.43	-99.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300000542575	1	33	-3.0	-151.39	317.90	1.56	-149.83
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542576	0	34	-2.0	-96.34	320.37	1.55	-94.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542576	1	33	-3.0	-165.42	317.91	1.56	-163.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542577	0	37	-3.0	-169.57	346.06	1.35	-168.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542577	1	38	-2.0	-98.14	348.57	1.39	-96.75
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300000542578	0	38	-2.0	-93.95	355.84	2.72	-91.23
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300000542578	1	37	-3.0	-150.96	349.38	2.85	-148.11
CC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300000542579	0	37	-2.0	-101.90	336.39	2.08	-99.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300000542579	1	36	-3.0	-166.90	333.93	2.09	-164.81
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542580	0	33	-3.0	-159.85	330.98	2.13	-157.72
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542580	1	34	-2.0	-91.80	333.66	2.10	-89.70
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1Cl	REAL300000542581	0	34	-2.0	-100.30	332.89	1.94	-98.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1Cl	REAL300000542581	1	33	-3.0	-161.14	330.44	1.95	-159.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300000542582	0	40	-2.0	-100.06	353.06	2.89	-97.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300000542582	1	39	-3.0	-166.58	350.59	2.90	-163.68
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542583	0	33	-3.0	-161.34	323.39	1.62	-159.72
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300000542584	0	40	-2.0	-93.29	367.95	3.02	-90.27
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300000542584	1	39	-3.0	-149.99	361.50	3.15	-146.84
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542585	0	30	-3.0	-158.69	311.10	0.57	-158.12
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542586	0	37	-2.0	-97.94	332.97	1.90	-96.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542586	1	36	-3.0	-164.45	333.34	2.34	-162.11
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300000542587	0	38	-2.0	-93.55	355.45	1.71	-91.84
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300000542588	0	34	-3.0	-163.29	324.56	0.91	-162.38
CN1C=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300000542588	1	35	-2.0	-96.78	327.02	0.90	-95.88
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542589	0	38	-2.0	-99.04	341.71	-0.05	-99.09
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542590	0	33	-3.0	-154.36	327.03	1.24	-153.12
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300000542591	0	40	-2.0	-98.72	351.23	2.89	-95.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300000542592	0	30	-3.0	-160.54	309.56	0.59	-159.95
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300000542592	1	31	-2.0	-97.48	316.15	0.47	-97.01
COC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300000542593	0	38	-2.0	-108.53	347.67	1.62	-106.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542594	0	40	-2.0	-97.50	350.31	2.77	-94.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542594	1	39	-3.0	-162.92	348.05	3.27	-159.65
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(C(=O)[O-])O1	REAL300000542595	0	33	-3.0	-156.53	320.92	0.69	-155.84
CC1=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(C(=O)[O-])O1	REAL300000542595	1	34	-2.0	-98.38	323.87	0.65	-97.73
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542596	0	37	-3.0	-167.91	346.90	0.64	-167.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542596	1	38	-2.0	-102.67	349.65	0.60	-102.07
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542597	0	37	-2.0	-93.72	341.25	2.35	-91.37
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542597	1	36	-3.0	-154.87	338.62	2.37	-152.50
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(C(=O)[O-])S1	REAL300000542598	0	33	-3.0	-160.37	327.61	1.44	-158.93
CC1=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(C(=O)[O-])S1	REAL300000542598	1	34	-2.0	-98.51	330.14	1.43	-97.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(Cl)=C1	REAL300000542599	0	33	-3.0	-149.70	330.96	2.12	-147.58
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(Cl)=C1	REAL300000542599	1	34	-2.0	-92.56	333.59	2.09	-90.47
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300000542600	0	34	-2.0	-97.29	324.90	1.59	-95.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300000542600	1	33	-3.0	-150.67	322.43	1.60	-149.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300000542601	0	30	-3.0	-153.01	310.18	0.69	-152.32
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542602	0	34	-2.0	-94.34	330.89	1.50	-92.84
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542602	1	33	-3.0	-155.85	324.32	1.62	-154.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1F	REAL300000542603	0	36	-3.0	-162.84	343.67	2.26	-160.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1	REAL300000542604	0	33	-3.0	-151.35	323.37	1.63	-149.72
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1Cl	REAL300000542605	0	34	-2.0	-93.85	332.88	1.95	-91.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1Cl	REAL300000542605	1	33	-3.0	-148.99	330.40	1.96	-147.03
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(F)=C1F	REAL300000542606	0	34	-2.0	-98.43	331.20	1.65	-96.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(F)=C1F	REAL300000542606	1	33	-3.0	-153.63	328.73	1.65	-151.98
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542607	0	34	-3.0	-162.68	327.62	-0.73	-163.41
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542607	1	34	-3.0	-164.88	326.84	0.06	-164.82
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300000542608	0	37	-2.0	-92.39	346.55	2.21	-90.18
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300000542608	1	36	-3.0	-154.35	340.10	2.34	-152.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542609	0	37	-2.0	-89.16	327.25	1.77	-87.39
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542609	1	36	-3.0	-163.70	327.98	2.19	-161.51
CC1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000542610	0	37	-2.0	-98.57	345.18	2.21	-96.36
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000542610	1	36	-3.0	-163.85	342.75	2.21	-161.64
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542611	0	37	-2.0	-89.14	332.92	1.91	-87.23
CC1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000542612	0	40	-2.0	-102.67	353.26	2.62	-100.05
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000542612	1	39	-3.0	-170.46	354.72	2.73	-167.73
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542613	0	33	-3.0	-153.02	329.67	1.68	-151.34
CC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)=C1C(=O)[O-]	REAL300000542614	0	40	-2.0	-103.56	353.49	2.97	-100.59
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300000542615	0	36	-3.0	-163.76	343.23	2.25	-161.51
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542616	0	36	-3.0	-172.83	342.95	2.25	-170.58
CCC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300000542617	0	40	-2.0	-96.23	358.51	2.62	-93.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300000542617	1	39	-3.0	-167.79	352.15	2.74	-165.05
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300000542618	0	37	-3.0	-164.74	345.94	1.78	-162.96
CCN1C=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300000542618	1	38	-2.0	-97.61	348.40	1.76	-95.85
CC1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1C(=O)[O-]	REAL300000542619	0	37	-2.0	-95.31	336.38	2.11	-93.20
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1C(=O)[O-]	REAL300000542619	1	36	-3.0	-151.58	333.92	2.10	-149.48
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542620	0	37	-2.0	-98.74	337.47	1.93	-96.81
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542620	1	36	-3.0	-161.67	337.45	2.39	-159.28
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1F	REAL300000542621	0	33	-3.0	-171.99	321.57	1.59	-170.40
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300000542622	0	37	-2.0	-97.43	345.31	2.23	-95.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300000542622	1	36	-3.0	-158.08	342.85	2.23	-155.85
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300000542623	0	32	-3.0	-160.05	314.90	-0.39	-160.44
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542624	0	37	-3.0	-156.02	346.12	1.35	-154.67
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300000542624	1	38	-2.0	-95.67	348.83	1.31	-94.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C(Cl)O1	REAL300000542625	0	30	-3.0	-150.96	318.06	0.53	-150.43
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(C(=O)[O-])O1	REAL300000542626	0	36	-3.0	-156.38	340.04	1.54	-154.84
CCC1=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(C(=O)[O-])O1	REAL300000542626	1	37	-2.0	-93.05	342.75	0.99	-92.06
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000542627	0	37	-2.0	-112.71	351.72	6.32	-106.39
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000542628	0	37	-2.0	-102.43	347.17	6.30	-96.13
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000542629	0	37	-2.0	-115.41	347.18	6.29	-109.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1C	REAL300000542630	0	41	-2.0	-121.70	375.32	6.11	-115.59
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000542631	0	41	-2.0	-102.38	378.65	7.59	-94.79
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000542632	0	40	-2.0	-116.54	363.20	6.83	-109.71
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000542633	0	37	-2.0	-111.63	360.25	6.87	-104.76
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000542634	0	37	-2.0	-111.12	359.69	6.69	-104.43
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000542635	0	43	-2.0	-119.12	379.85	7.65	-111.47
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000542636	0	37	-2.0	-113.11	352.66	6.36	-106.75
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000542637	0	43	-2.0	-101.80	390.77	7.88	-93.92
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000542638	0	34	-2.0	-109.33	340.37	5.33	-104.00
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000542639	0	40	-2.0	-117.17	362.61	7.08	-110.09
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000542640	0	41	-2.0	-101.05	378.26	6.58	-94.47
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000542641	0	38	-2.0	-113.48	353.82	5.66	-107.82
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000542642	0	41	-2.0	-117.46	371.39	5.11	-112.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2C)=C1	REAL300000542643	0	37	-2.0	-105.19	356.29	5.99	-99.20
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000542644	0	43	-2.0	-118.43	378.64	7.61	-110.82
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000542645	0	34	-2.0	-110.87	338.83	5.34	-105.53
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2C)C=C1C(=O)[O-]	REAL300000542646	0	41	-2.0	-121.14	374.48	6.36	-114.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1C	REAL300000542647	0	43	-2.0	-115.78	377.33	8.03	-107.75
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000542648	0	44	-2.0	-121.15	391.43	8.19	-112.96
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000542649	0	37	-2.0	-109.26	350.19	5.44	-103.82
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000542650	0	41	-2.0	-115.71	376.10	5.40	-110.31
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000542651	0	40	-2.0	-107.20	367.89	7.11	-100.09
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000542652	0	37	-2.0	-113.28	355.81	6.19	-107.09
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000542653	0	37	-2.0	-100.07	360.24	6.85	-93.22
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000542654	0	37	-2.0	-101.83	351.72	6.33	-95.50
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000542655	0	34	-2.0	-104.06	339.44	5.43	-98.63
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000542656	0	37	-2.0	-105.94	353.59	6.36	-99.58
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000542657	0	40	-2.0	-114.48	372.94	7.00	-107.48
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000542658	0	37	-2.0	-101.74	352.65	6.36	-95.38
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000542659	0	37	-2.0	-99.92	359.69	6.70	-93.22
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000542660	0	37	-2.0	-103.93	358.00	6.39	-97.54
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000542661	0	38	-2.0	-116.32	356.90	4.03	-112.29
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000542662	0	40	-2.0	-106.60	369.37	7.08	-99.52
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000542663	0	40	-2.0	-110.91	357.25	6.94	-103.97
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000542664	0	40	-2.0	-113.98	372.02	6.94	-107.04
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000542665	0	40	-2.0	-102.82	362.59	7.06	-95.76
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000542666	0	43	-2.0	-119.67	383.98	7.46	-112.21
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000542667	0	37	-2.0	-104.35	358.92	6.42	-97.93
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000542668	0	43	-2.0	-115.02	381.66	7.69	-107.33
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000542669	0	40	-2.0	-114.26	368.66	6.89	-107.37
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000542670	0	40	-2.0	-119.42	372.22	6.98	-112.44
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2C)C=C1C(=O)[O-]	REAL300000542671	0	43	-2.0	-117.18	381.41	7.48	-109.70
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2C)C=C1C(=O)[O-]	REAL300000542672	0	41	-2.0	-114.75	375.21	6.52	-108.23
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000542673	0	40	-2.0	-102.54	363.19	6.84	-95.70
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000542674	0	40	-2.0	-114.34	367.14	7.12	-107.22
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000542675	0	37	-2.0	-118.69	350.82	6.32	-112.37
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000542676	0	40	-2.0	-106.77	368.35	6.86	-99.91
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000542677	0	36	-2.0	-113.11	344.17	4.36	-108.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=CC=C2)N=C1C	REAL300000542678	0	41	-2.0	-106.86	375.39	6.11	-100.75
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000542679	0	34	-2.0	-102.69	347.29	5.27	-97.42
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000542680	0	44	-2.0	-109.49	393.31	8.18	-101.31
CC1=NN(C2=CC=CC=C2)N=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000542681	0	44	-2.0	-112.18	392.62	8.18	-104.00
CCC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CC=C3)N=C2C)C=C(C(=O)[O-])O1	REAL300000542682	0	40	-2.0	-109.14	369.31	6.29	-102.85
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000542683	1	38	-2.0	-111.58	346.81	6.99	-104.59
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000542684	1	38	-2.0	-100.38	342.27	6.97	-93.41
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000542685	1	38	-2.0	-111.92	342.28	6.96	-104.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C#N)=C1	REAL300000542686	0	42	-2.0	-117.02	370.43	6.76	-110.26
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000542687	1	42	-2.0	-99.78	373.74	8.25	-91.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)C=C1C(=O)[O-]	REAL300000542688	1	41	-2.0	-115.56	358.29	7.49	-108.07
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000542689	0	38	-2.0	-107.21	355.34	7.52	-99.69
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000542690	1	38	-2.0	-109.95	354.80	7.35	-102.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)=C1C	REAL300000542691	1	44	-2.0	-114.18	374.95	8.30	-105.88
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000542692	0	38	-2.0	-109.30	347.75	7.01	-102.29
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000542693	1	44	-2.0	-98.75	385.86	8.54	-90.21
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000542694	0	35	-2.0	-106.43	335.46	5.97	-100.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C#N)=C1	REAL300000542695	1	41	-2.0	-112.08	357.74	7.74	-104.34
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)C=C1C(=O)[O-]	REAL300000542697	0	39	-2.0	-110.57	348.93	6.30	-104.27
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)=C1	REAL300000542699	0	38	-2.0	-103.94	351.39	6.63	-97.31
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000542701	0	35	-2.0	-107.73	333.93	5.99	-101.74
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000542703	1	48	-2.0	-116.03	397.52	9.59	-106.44
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C#N)=C1	REAL300000542704	1	47	-2.0	-114.16	396.20	8.95	-105.21
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C#N)=C1	REAL300000542705	1	44	-2.0	-109.99	372.43	8.68	-101.31
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C#N)=C1	REAL300000542706	0	45	-2.0	-116.95	392.72	7.51	-109.44
CC(C)(C#N)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000542707	0	41	-2.0	-110.76	377.40	7.38	-103.38
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000542707	1	40	-3.0	-189.89	370.68	7.52	-182.37
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000542708	1	45	-2.0	-116.41	386.54	8.86	-107.55
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)C=C(C(=O)[O-])O1	REAL300000542709	0	38	-2.0	-105.63	345.30	6.10	-99.53
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)=C1	REAL300000542710	0	42	-2.0	-116.03	371.18	6.05	-109.98
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000542711	0	38	-2.0	-103.83	359.86	7.55	-96.28
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C#N)=C1	REAL300000542713	1	41	-2.0	-102.92	362.97	7.78	-95.14
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000542714	1	42	-2.0	-97.95	379.58	7.30	-90.65
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)C=C(C(=O)[O-])S1	REAL300000542716	1	38	-2.0	-108.50	351.96	6.85	-101.65
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000542717	0	38	-2.0	-97.98	355.32	7.52	-90.46
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000542718	1	38	-2.0	-99.57	346.80	7.00	-92.57
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000542719	0	35	-2.0	-102.59	334.55	6.08	-96.51
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000542720	1	38	-2.0	-102.87	348.69	7.02	-95.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)=C1F	REAL300000542721	0	41	-2.0	-110.74	368.01	7.66	-103.08
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000542722	0	38	-2.0	-100.23	347.74	7.03	-93.20
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000542723	1	38	-2.0	-97.81	354.77	7.36	-90.45
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C#N)=C1	REAL300000542724	1	41	-2.0	-104.53	371.73	8.15	-96.38
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000542725	1	38	-2.0	-100.88	353.10	7.05	-93.83
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000542726	0	40	-2.0	-97.20	370.47	7.62	-89.58
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000542727	0	39	-2.0	-110.95	351.98	4.67	-106.28
CC(C)(C#N)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000542727	1	39	-2.0	-107.07	351.08	5.54	-101.53
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000542728	1	41	-2.0	-103.62	364.46	7.73	-95.89
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000542729	1	38	-2.0	-102.40	362.98	7.49	-94.91
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C#N)=C1	REAL300000542730	1	41	-2.0	-110.71	352.34	7.60	-103.11
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)=CC(C(=O)[O-])=C1F	REAL300000542731	1	41	-2.0	-110.59	367.12	7.61	-102.98
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000542734	0	40	-2.0	-109.82	368.85	8.05	-101.77
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000542735	0	38	-2.0	-101.24	354.03	7.09	-94.15
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)C=C1C(=O)[O-]	REAL300000542737	0	41	-2.0	-111.63	367.61	7.64	-103.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)=C1Cl	REAL300000542738	0	41	-2.0	-109.06	374.06	8.09	-100.97
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)=C1	REAL300000542739	0	41	-2.0	-120.00	367.30	7.65	-112.35
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)C=C1C(=O)[O-]	REAL300000542740	1	44	-2.0	-116.30	376.54	8.14	-108.16
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C#N)=C1	REAL300000542742	1	41	-2.0	-103.59	368.54	8.13	-95.46
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000542743	1	41	-2.0	-111.77	373.48	7.93	-103.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)C=C1C(=O)[O-]	REAL300000542744	0	42	-2.0	-111.85	370.29	7.18	-104.67
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)C=C1C(=O)[O-]	REAL300000542745	1	41	-2.0	-107.35	372.14	7.93	-99.42
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)=CC=C1C(=O)[O-]	REAL300000542746	1	41	-2.0	-100.43	358.29	7.50	-92.93
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000542748	0	40	-2.0	-122.66	366.00	8.82	-113.84
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000542749	0	38	-2.0	-119.18	345.93	6.99	-112.19
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)C=C1C(=O)[O-]	REAL300000542750	1	41	-2.0	-105.56	363.42	7.53	-98.03
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000542751	1	44	-2.0	-122.99	383.31	9.08	-113.91
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000542752	0	37	-2.0	-110.10	338.50	5.09	-105.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C#N)=C1	REAL300000542753	0	42	-2.0	-104.44	370.43	6.77	-97.67
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000542754	0	35	-2.0	-100.03	342.43	5.93	-94.10
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000542755	1	45	-2.0	-105.97	388.39	8.85	-97.12
CC(C)(C#N)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000542756	1	45	-2.0	-110.71	387.74	8.84	-101.87
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C#N)=C2)C=C(C(=O)[O-])O1	REAL300000542757	0	41	-2.0	-105.19	364.41	6.94	-98.25
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CN3)C=C2Cl)=C1	REAL300000542762	1	35	-2.0	-103.26	345.68	6.16	-97.10
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CN3)C=C2Cl)=C1	REAL300000542763	1	32	-2.0	-101.36	333.39	5.12	-96.24
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CN3)C=C2Cl)=C1	REAL300000542766	1	35	-2.0	-97.63	349.34	5.79	-91.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC=CN3)C=C2Cl)S1	REAL300000542771	1	32	-2.0	-96.54	332.46	5.23	-91.31
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3=NC=CN3)C=C2Cl)=C1	REAL300000542774	0	36	-2.0	-109.09	344.36	4.64	-104.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CN3)C=C2Cl)=C1F	REAL300000542780	1	35	-2.0	-112.22	343.87	6.12	-106.10
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=NC=CN3)C=C2Cl)=C1	REAL300000542781	0	34	-2.0	-104.41	336.41	4.23	-100.18
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000542783	1	36	-2.0	-113.36	336.74	5.72	-107.64
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2C1=O	REAL300000542784	1	36	-2.0	-103.53	332.19	5.70	-97.83
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2C1=O	REAL300000542785	1	36	-2.0	-115.59	331.86	5.70	-109.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=CN(C)C(=O)C2=C1	REAL300000542786	0	40	-2.0	-120.38	360.34	5.48	-114.90
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2C1=O	REAL300000542787	1	40	-2.0	-102.84	363.66	6.98	-95.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000542788	1	39	-2.0	-117.03	348.22	6.22	-110.81
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2C1=O	REAL300000542789	0	36	-2.0	-110.67	345.27	6.26	-104.41
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000542790	1	36	-2.0	-111.75	344.72	6.08	-105.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)=C1C	REAL300000542791	1	42	-2.0	-117.85	364.88	7.04	-110.81
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2C1=O	REAL300000542792	0	36	-2.0	-112.37	337.68	5.75	-106.62
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2C1=O	REAL300000542793	1	42	-2.0	-102.33	375.78	7.28	-95.05
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2C1=O	REAL300000542794	0	33	-2.0	-109.89	325.04	4.72	-105.17
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=CN(C)C(=O)C2=C1	REAL300000542795	1	39	-2.0	-115.74	347.63	6.48	-109.26
CN1C=C(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000542797	0	37	-2.0	-114.30	338.85	5.04	-109.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)=C1	REAL300000542799	0	36	-2.0	-106.38	341.31	5.37	-101.01
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2C1=O	REAL300000542801	0	33	-2.0	-111.35	323.51	4.74	-106.61
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=CN(C)C(=O)C2=C1	REAL300000542803	1	42	-2.0	-113.52	362.00	7.43	-106.09
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2C1=O	REAL300000542804	1	43	-2.0	-119.86	376.45	7.59	-112.27
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000542805	0	36	-2.0	-109.17	335.21	4.83	-104.34
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)=C1	REAL300000542806	0	40	-2.0	-116.99	360.86	4.80	-112.19
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=CN(C)C(=O)C2=C1	REAL300000542807	1	39	-2.0	-106.48	352.91	6.51	-99.97
CC1=C(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000542808	0	36	-2.0	-111.97	340.46	5.60	-106.37
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2C1=O	REAL300000542809	0	36	-2.0	-100.82	344.92	6.26	-94.56
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2C1=O	REAL300000542810	1	36	-2.0	-103.04	336.73	5.73	-97.31
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2C1=O	REAL300000542811	0	33	-2.0	-105.20	324.47	4.82	-100.38
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2C1=O	REAL300000542812	1	36	-2.0	-106.75	338.60	5.75	-101.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)=C1F	REAL300000542813	0	39	-2.0	-113.82	357.97	6.39	-107.43
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2C1=O	REAL300000542814	0	36	-2.0	-102.81	337.33	5.77	-97.04
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2C1=O	REAL300000542815	1	36	-2.0	-101.11	344.70	6.09	-95.02
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2C1=O	REAL300000542816	1	36	-2.0	-104.94	343.02	5.78	-99.16
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2C1=O	REAL300000542817	0	37	-2.0	-113.92	341.57	3.41	-110.51
CN1C=NC2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2C1=O	REAL300000542817	1	37	-2.0	-112.75	330.60	4.30	-108.45
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2C1=O	REAL300000542818	1	39	-2.0	-108.55	354.38	6.47	-102.08
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2N=CN(C)C(=O)C2=C1	REAL300000542819	1	39	-2.0	-113.02	341.74	6.36	-106.66
CC1=CC(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000542820	1	39	-2.0	-114.74	357.03	6.34	-108.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000542822	1	42	-2.0	-120.48	369.00	6.86	-113.62
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2C1=O	REAL300000542823	0	36	-2.0	-103.95	343.62	5.83	-98.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000542825	0	39	-2.0	-114.72	357.52	6.38	-108.34
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)=C1	REAL300000542826	0	39	-2.0	-121.87	357.24	6.38	-115.49
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000542827	1	42	-2.0	-117.45	365.80	6.89	-110.56
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000542828	0	40	-2.0	-115.59	360.22	5.91	-109.68
CC1=CC(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000542829	1	39	-2.0	-103.35	347.87	6.24	-97.11
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2N=CN(C)C(=O)C2=C1	REAL300000542830	1	39	-2.0	-113.44	351.74	6.53	-106.91
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2C1=O	REAL300000542831	0	36	-2.0	-121.16	335.82	5.71	-115.45
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)C=C1C(=O)[O-]	REAL300000542832	1	39	-2.0	-108.68	357.14	6.37	-102.31
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2C1=O	REAL300000542833	0	35	-2.0	-111.87	329.19	3.75	-108.12
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2N=CN(C)C(=O)C2=C1	REAL300000542834	0	40	-2.0	-107.64	360.40	5.49	-102.15
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2C1=O	REAL300000542835	0	33	-2.0	-103.35	332.35	4.66	-98.69
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2C1=O	REAL300000542836	1	43	-2.0	-109.16	377.99	7.59	-101.57
CN1C=NC2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2C1=O	REAL300000542837	1	43	-2.0	-114.67	377.66	7.58	-107.09
CCC1=C(S(=O)(=O)[N-]C2=CC=C3N=CN(C)C(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000542838	0	39	-2.0	-108.73	354.33	5.68	-103.05
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1	REAL300000542839	0	41	-2.0	-84.92	370.93	3.86	-81.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC=C1F	REAL300000542840	0	34	-2.0	-100.56	319.00	5.30	-95.26
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CCC2)ON=C1	REAL300000542841	0	42	-2.0	-102.28	374.09	6.38	-95.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1	REAL300000542842	0	34	-2.0	-90.69	314.45	5.28	-85.41
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542843	0	34	-2.0	-102.83	314.47	5.27	-97.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CCC2)ON=C1	REAL300000542844	0	38	-2.0	-108.61	342.61	5.10	-103.51
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1	REAL300000542845	0	38	-2.0	-90.75	345.92	6.57	-84.18
CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1C(=O)[O-]	REAL300000542846	0	37	-2.0	-103.96	330.49	5.81	-98.15
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542847	0	34	-2.0	-98.89	327.54	5.85	-93.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC=C1Cl	REAL300000542848	0	34	-2.0	-98.79	326.97	5.67	-93.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C(Cl)C=C1Cl	REAL300000542849	0	34	-2.0	-94.60	340.03	6.23	-88.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1C	REAL300000542850	0	40	-2.0	-106.08	347.58	6.61	-99.47
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542851	0	34	-2.0	-100.24	319.94	5.34	-94.90
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1	REAL300000542852	0	40	-2.0	-90.10	358.04	6.87	-83.23
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542853	0	31	-2.0	-97.06	307.66	4.29	-92.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CCC2)ON=C1	REAL300000542854	0	37	-2.0	-104.22	329.91	6.06	-98.16
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1	REAL300000542855	0	38	-2.0	-89.39	345.54	5.56	-83.83
CN1C=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1C(=O)[O-]	REAL300000542856	0	35	-2.0	-101.31	321.11	4.63	-96.68
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CCC2)ON=C1	REAL300000542857	0	38	-2.0	-105.01	338.26	4.11	-100.90
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542858	0	34	-2.0	-93.31	323.60	4.96	-88.35
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1C(=O)[O-]	REAL300000542859	0	40	-2.0	-105.46	345.92	6.59	-98.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CS1	REAL300000542860	0	31	-2.0	-98.64	306.12	4.31	-94.33
COC1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC(C(=O)[O-])=C1OC	REAL300000542861	0	42	-2.0	-103.16	372.81	5.08	-98.08
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1C(=O)[O-]	REAL300000542862	0	38	-2.0	-108.69	341.76	5.34	-103.35
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542863	0	44	-2.0	-107.96	369.70	7.91	-100.05
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CCC2)ON=C1	REAL300000542864	0	43	-2.0	-106.42	368.37	7.29	-99.13
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CCC2)ON=C1	REAL300000542865	0	40	-2.0	-102.75	344.60	6.99	-95.76
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CCC2)ON=C1	REAL300000542866	0	41	-2.0	-108.64	364.90	5.84	-102.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC(C(=O)[O-])=C1	REAL300000542867	0	36	-3.0	-176.01	342.88	5.84	-170.17
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542868	0	41	-2.0	-108.27	358.71	7.17	-101.10
CC1=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C(C(=O)[O-])O1	REAL300000542869	0	34	-2.0	-97.16	317.48	4.42	-92.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC2=C1OCCO2	REAL300000542870	0	40	-2.0	-107.60	356.65	5.04	-102.56
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542871	0	38	-2.0	-103.60	343.44	4.38	-99.22
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=C(C4CCC4)ON=C3)C=C2C1	REAL300000542872	0	42	-2.0	-89.88	367.38	5.88	-84.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC(Cl)=C1Cl	REAL300000542873	0	34	-2.0	-92.61	342.16	6.13	-86.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C(Cl)C=C1F	REAL300000542874	0	34	-2.0	-95.80	332.06	5.87	-89.93
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1Cl	REAL300000542875	0	38	-2.0	-88.01	361.57	6.10	-81.91
CC1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC=C1OCC(=O)[O-]	REAL300000542876	0	41	-2.0	-89.81	365.63	6.26	-83.55
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1F	REAL300000542877	0	44	-2.0	-89.13	394.21	6.53	-82.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CCC2)ON=C1	REAL300000542878	0	37	-2.0	-94.86	335.18	6.09	-88.77
CC1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC=C1OCCCC(=O)[O-]	REAL300000542879	0	47	-2.0	-90.28	408.06	7.20	-83.08
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1F	REAL300000542880	0	38	-2.0	-89.01	351.76	5.62	-83.39
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1C(=O)[O-]	REAL300000542881	0	41	-2.0	-109.30	363.60	6.25	-103.05
CC1=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C(C(=O)[O-])S1	REAL300000542882	0	34	-2.0	-100.62	324.17	5.17	-95.45
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542883	0	34	-2.0	-92.72	342.70	6.29	-86.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C(Cl)=C1	REAL300000542884	0	34	-2.0	-88.38	327.52	5.84	-82.54
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1F	REAL300000542885	0	34	-2.0	-90.24	319.01	5.31	-84.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)S1	REAL300000542886	0	31	-2.0	-92.20	306.73	4.40	-87.80
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542887	0	34	-2.0	-93.81	320.89	5.34	-88.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1F	REAL300000542888	0	37	-2.0	-101.53	340.22	5.97	-95.56
COC1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000542889	0	38	-2.0	-92.95	354.78	5.88	-87.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C(F)=C1	REAL300000542890	0	34	-2.0	-89.91	319.93	5.35	-84.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1Cl	REAL300000542891	0	34	-2.0	-88.28	326.98	5.68	-82.60
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CCC2)ON=C1	REAL300000542892	0	37	-2.0	-96.59	343.91	6.48	-90.11
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1	REAL300000542893	0	42	-2.0	-87.76	378.20	6.69	-81.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC(F)=C1F	REAL300000542894	0	34	-2.0	-92.19	325.30	5.37	-86.82
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542895	0	36	-2.0	-88.07	342.66	5.94	-82.13
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542896	0	34	-3.0	-196.22	320.62	3.89	-192.33
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542896	1	35	-2.0	-103.19	324.19	3.00	-100.19
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1	REAL300000542897	0	37	-2.0	-94.46	336.64	6.06	-88.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC(Cl)=C1F	REAL300000542898	0	34	-2.0	-93.64	335.19	5.81	-87.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C2CCC2)ON=C1	REAL300000542899	0	37	-2.0	-98.69	324.51	5.91	-92.78
CC1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC(C(=O)[O-])=C1F	REAL300000542900	0	37	-2.0	-101.77	339.32	5.93	-95.84
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2CCC2)ON=C1	REAL300000542901	0	37	-2.0	-91.03	329.88	6.05	-84.98
CC1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC(C(=O)[O-])=C1C	REAL300000542902	0	40	-2.0	-105.78	347.35	6.34	-99.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC=C1[N+](=O)[O-]	REAL300000542903	0	36	-2.0	-101.44	341.03	6.37	-95.07
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542904	0	34	-2.0	-91.89	326.20	5.40	-86.49
CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C(C)=C1C(=O)[O-]	REAL300000542905	0	40	-2.0	-102.99	348.01	6.68	-96.31
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1C(=O)[O-]	REAL300000542906	0	37	-2.0	-102.47	339.79	5.97	-96.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1Cl	REAL300000542907	0	37	-2.0	-100.66	346.25	6.41	-94.25
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542908	0	37	-2.0	-107.05	339.51	5.97	-101.08
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1C(=O)[O-]	REAL300000542909	0	40	-2.0	-104.63	348.80	6.45	-98.18
COC1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1CC(=O)[O-]	REAL300000542910	0	41	-2.0	-104.79	364.93	5.41	-99.38
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C2CCC2)ON=C1	REAL300000542911	0	37	-2.0	-92.17	340.73	6.46	-85.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1C(F)(F)F	REAL300000542912	0	37	-2.0	-87.37	344.60	6.07	-81.30
CC1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC(C(=O)[O-])=C1Cl	REAL300000542913	0	37	-2.0	-100.51	345.69	6.24	-94.27
CCN1C=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1C(=O)[O-]	REAL300000542914	0	38	-2.0	-102.55	342.50	5.50	-97.05
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C(C)=C1CC(=O)[O-]	REAL300000542915	0	46	-2.0	-102.85	379.62	8.15	-94.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C(F)C(Cl)=C1F	REAL300000542916	0	34	-2.0	-90.76	340.08	5.83	-84.93
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1C(=O)[O-]	REAL300000542917	0	37	-2.0	-96.15	344.33	6.24	-89.91
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C(C(=O)[O-])S1	REAL300000542918	0	43	-2.0	-100.68	363.92	7.40	-93.28
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1C(=O)[O-]	REAL300000542919	0	38	-2.0	-104.48	354.79	5.90	-98.58
CC1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC=C1C(=O)[O-]	REAL300000542920	0	37	-2.0	-90.72	330.48	5.82	-84.90
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C([N+](=O)[O-])=C1	REAL300000542921	0	39	-2.0	-95.21	357.72	7.48	-87.73
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C2CCC2)ON=C1	REAL300000542922	0	37	-2.0	-102.07	334.01	6.12	-95.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1[N+](=O)[O-]	REAL300000542923	0	36	-2.0	-109.50	338.21	7.15	-102.35
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1F	REAL300000542924	0	34	-2.0	-106.38	318.14	5.31	-101.07
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C1C(=O)[O-]	REAL300000542925	0	37	-2.0	-94.51	335.63	5.84	-88.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=CC2=CC=CC=C21	REAL300000542926	0	40	-2.0	-110.85	355.51	7.40	-103.45
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C1	REAL300000542927	0	33	-2.0	-100.33	310.68	3.41	-96.92
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C2CCC2)ON=C1	REAL300000542928	0	38	-2.0	-94.90	342.68	5.09	-89.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)=C(Cl)O1	REAL300000542929	0	31	-2.0	-90.95	314.57	4.25	-86.70
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C(C4CCC4)ON=C3)C=C2)CC1	REAL300000542930	0	41	-2.0	-97.41	360.59	7.16	-90.25
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C(C4CCC4)ON=C3)C=C2C1	REAL300000542931	0	41	-2.0	-99.19	358.55	7.14	-92.05
CCC1=C(S(=O)(=O)[N-]C2=C(C3CCC3)ON=C2)C=C(C(=O)[O-])O1	REAL300000542932	0	37	-2.0	-97.17	336.60	5.26	-91.91
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1	REAL300000542933	0	36	-2.0	-86.12	339.56	0.81	-85.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC=C1F	REAL300000542934	1	29	-2.0	-102.16	287.64	2.25	-99.91
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(F)=C1	REAL300000542935	0	37	-2.0	-103.16	342.72	3.31	-99.85
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000542936	0	29	-2.0	-99.38	299.52	2.93	-96.45
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1	REAL300000542937	1	29	-2.0	-91.96	283.08	2.23	-89.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000542938	1	29	-2.0	-104.61	283.10	2.22	-102.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(F)=C1	REAL300000542939	0	33	-2.0	-109.39	311.25	2.02	-107.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC=C1Br	REAL300000542940	1	29	-2.0	-99.98	299.35	2.71	-97.27
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1	REAL300000542941	1	33	-2.0	-91.98	314.55	3.51	-88.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000542942	1	32	-2.0	-104.77	299.12	2.75	-102.02
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000542943	0	29	-2.0	-99.95	296.18	2.79	-97.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC=C1Cl	REAL300000542944	1	29	-2.0	-100.45	295.61	2.61	-97.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C(Cl)C=C1Cl	REAL300000542945	0	29	-2.0	-95.58	308.68	3.16	-92.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1C	REAL300000542946	1	35	-2.0	-107.15	315.78	3.56	-103.59
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000542947	0	29	-2.0	-101.44	288.58	2.28	-99.16
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1	REAL300000542948	1	35	-2.0	-91.20	326.67	3.81	-87.39
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000542949	0	26	-2.0	-98.23	276.29	1.23	-97.00
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(F)=C1	REAL300000542950	1	32	-2.0	-105.07	298.54	3.00	-102.07
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1	REAL300000542951	1	33	-2.0	-90.56	314.17	2.50	-88.06
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=CC(O)=CC(F)=C3)C=C2)C1	REAL300000542952	1	40	-2.0	-87.22	359.95	3.28	-83.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C(Br)S1	REAL300000542953	0	26	-2.0	-95.56	293.32	2.01	-93.55
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000542954	0	30	-2.0	-102.74	289.75	1.57	-101.17
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(F)=C1	REAL300000542955	1	33	-2.0	-105.84	306.89	1.05	-104.79
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000542956	0	29	-2.0	-94.89	292.21	1.90	-92.99
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000542957	1	35	-2.0	-106.27	314.56	3.55	-102.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CS1	REAL300000542958	0	26	-2.0	-100.30	274.76	1.26	-99.04
COC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000542959	1	37	-2.0	-104.08	341.43	2.03	-102.05
COC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000542960	1	33	-2.0	-110.35	310.39	2.29	-108.06
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000542961	1	39	-2.0	-109.61	338.34	4.85	-104.76
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(F)=C1	REAL300000542962	1	38	-2.0	-107.23	337.00	4.22	-103.01
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(F)=C1	REAL300000542963	1	35	-2.0	-103.74	313.24	3.94	-99.80
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(F)=C1	REAL300000542964	0	36	-2.0	-109.63	333.53	2.79	-106.84
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(O)=CC(F)=C2)=C1	REAL300000542965	0	32	-2.0	-110.31	313.97	2.79	-107.52
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000542965	1	31	-3.0	-177.77	311.51	2.78	-174.99
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000542966	1	36	-2.0	-109.83	327.36	4.12	-105.71
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C(C(=O)[O-])O1	REAL300000542967	0	29	-2.0	-98.30	286.11	1.37	-96.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC2=C1OCCO2	REAL300000542968	1	35	-2.0	-109.11	325.28	1.99	-107.12
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000542969	0	33	-2.0	-105.41	312.09	1.31	-104.10
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CC(O)=CC(F)=C3)C=C2C1	REAL300000542970	1	37	-2.0	-91.61	336.74	2.83	-88.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC(Cl)=C1Cl	REAL300000542971	1	29	-2.0	-93.53	310.79	3.07	-90.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C(Cl)C=C1F	REAL300000542972	0	29	-2.0	-96.77	300.69	2.81	-93.96
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1Cl	REAL300000542973	1	33	-2.0	-89.26	330.20	3.04	-86.22
CC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC=C1OCC(=O)[O-]	REAL300000542974	1	36	-2.0	-91.03	334.26	3.20	-87.83
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1F	REAL300000542975	1	39	-2.0	-90.28	362.86	3.46	-86.82
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(F)=C1	REAL300000542976	0	32	-2.0	-95.75	303.81	3.04	-92.71
CC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC=C1OCCCC(=O)[O-]	REAL300000542977	1	42	-2.0	-91.33	376.69	4.14	-87.19
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1F	REAL300000542978	1	33	-2.0	-90.23	320.40	2.57	-87.66
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000542979	1	36	-2.0	-110.19	332.24	3.19	-107.00
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C(C(=O)[O-])S1	REAL300000542980	0	29	-2.0	-101.78	291.70	2.11	-99.67
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000542981	0	29	-2.0	-93.76	311.32	3.24	-90.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C(Cl)=C1	REAL300000542982	0	29	-2.0	-89.59	296.16	2.78	-86.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C(Br)=C1	REAL300000542983	0	29	-2.0	-89.20	299.51	2.92	-86.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1F	REAL300000542984	1	29	-2.0	-91.66	287.63	2.26	-89.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)S1	REAL300000542985	0	26	-2.0	-93.69	275.37	1.35	-92.34
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000542986	0	29	-2.0	-95.43	289.51	2.29	-93.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1F	REAL300000542987	0	32	-2.0	-102.54	308.88	2.92	-99.62
COC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000542988	0	33	-2.0	-94.22	323.41	2.84	-91.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C(F)=C1	REAL300000542989	0	29	-2.0	-91.28	288.56	2.29	-88.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1Cl	REAL300000542990	1	29	-2.0	-89.60	295.60	2.62	-86.98
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(F)=C1	REAL300000542991	1	32	-2.0	-97.39	312.55	3.42	-93.97
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1	REAL300000542992	0	37	-2.0	-88.90	346.85	3.63	-85.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1Br	REAL300000542993	1	29	-2.0	-89.18	299.34	2.72	-86.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC(F)=C1F	REAL300000542994	1	29	-2.0	-93.11	293.94	2.31	-90.80
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000542995	0	31	-2.0	-89.10	311.29	2.89	-86.21
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC([O-])=CC(F)=C2)=C1	REAL300000542995	1	30	-3.0	-164.68	307.73	3.65	-161.03
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000542996	0	30	-2.0	-104.19	292.82	-0.07	-104.26
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1	REAL300000542997	1	32	-2.0	-95.73	305.27	3.00	-92.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC(Cl)=C1F	REAL300000542998	1	29	-2.0	-94.51	303.83	2.75	-91.76
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(F)=C1	REAL300000542999	1	32	-2.0	-100.40	293.14	2.87	-97.53
CC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC(C(=O)[O-])=C1F	REAL300000543000	1	32	-2.0	-103.35	307.95	2.87	-100.48
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(F)=C1	REAL300000543001	1	32	-2.0	-92.21	298.51	2.99	-89.22
CC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC(C(=O)[O-])=C1C	REAL300000543002	1	35	-2.0	-108.67	320.60	3.42	-105.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC=C1[N+](=O)[O-]	REAL300000543003	0	31	-2.0	-102.29	309.68	3.31	-98.98
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000543004	0	29	-2.0	-93.09	294.86	2.35	-90.74
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)S1	REAL300000543005	0	26	-2.0	-91.48	295.68	1.90	-89.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C(C)=C1C(=O)[O-]	REAL300000543006	1	35	-2.0	-104.59	317.58	3.61	-100.98
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000543007	0	32	-2.0	-103.45	308.42	2.92	-100.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1Cl	REAL300000543008	0	32	-2.0	-101.43	314.85	3.36	-98.07
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000543009	0	32	-2.0	-108.82	308.14	2.91	-105.91
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000543010	1	35	-2.0	-105.49	317.07	3.41	-102.08
COC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1CC(=O)[O-]	REAL300000543011	1	36	-2.0	-105.93	333.57	2.35	-103.58
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(O)=CC(F)=C1	REAL300000543012	1	32	-2.0	-93.73	309.37	3.40	-90.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1C(F)(F)F	REAL300000543013	1	32	-2.0	-88.50	313.23	3.02	-85.48
CC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000543014	1	32	-2.0	-102.12	314.34	3.18	-98.94
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000543015	1	29	-2.0	-97.30	304.39	2.83	-94.47
CCN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000543016	0	33	-2.0	-104.01	311.12	2.44	-101.57
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C(C)=C1CC(=O)[O-]	REAL300000543017	1	41	-2.0	-104.50	348.25	5.09	-99.41
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C(F)C(Cl)=C1F	REAL300000543018	0	29	-2.0	-91.90	308.69	2.78	-89.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C(OC(F)(F)F)=C1	REAL300000543019	0	33	-2.0	-91.01	327.81	2.51	-88.50
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000543020	1	32	-2.0	-98.19	316.85	3.29	-94.90
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C(C(=O)[O-])S1	REAL300000543021	0	38	-2.0	-101.47	332.55	4.35	-97.12
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000543022	0	33	-2.0	-105.30	323.42	2.85	-102.45
CC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300000543023	1	32	-2.0	-92.03	299.11	2.76	-89.27
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C([N+](=O)[O-])=C1	REAL300000543024	0	34	-2.0	-97.09	326.37	4.41	-92.68
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(F)=C1	REAL300000543025	1	32	-2.0	-102.86	302.64	3.05	-99.81
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1[N+](=O)[O-]	REAL300000543026	0	31	-2.0	-111.53	306.84	4.07	-107.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1F	REAL300000543027	0	29	-2.0	-108.39	286.77	2.25	-106.14
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C1C(=O)[O-]	REAL300000543028	1	32	-2.0	-96.43	308.04	2.90	-93.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC2=CC=CC=C21	REAL300000543029	1	35	-2.0	-111.83	324.14	4.34	-107.49
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000543030	0	28	-2.0	-102.07	279.33	0.35	-101.72
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(F)=C1	REAL300000543031	0	33	-2.0	-95.99	311.31	2.01	-93.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C(Cl)O1	REAL300000543032	0	26	-2.0	-92.12	283.25	1.20	-90.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=CC=C1OC(F)(F)F	REAL300000543033	1	33	-2.0	-99.84	326.89	2.77	-97.07
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)=C1	REAL300000543034	0	32	-2.0	-95.13	326.45	-0.74	-95.87
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(O)=CC(F)=C3)C=C2)CC1	REAL300000543035	1	36	-2.0	-98.46	329.23	4.11	-94.35
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(O)=CC(F)=C3)C=C2C1	REAL300000543036	1	36	-2.0	-101.74	328.55	4.10	-97.64
CCC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(F)=C2)C=C(C(=O)[O-])O1	REAL300000543037	0	32	-2.0	-98.15	305.24	2.22	-95.93
CCCCCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000543038	0	47	-2.0	-107.70	405.61	6.73	-100.97
CCCCCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000543039	0	47	-2.0	-120.88	405.62	6.72	-114.16
CCCCCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000543040	0	44	-2.0	-115.15	398.81	5.75	-109.40
CCCCCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000543041	0	48	-2.0	-119.37	412.27	6.07	-113.30
CCCCCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000543042	0	44	-2.0	-116.38	397.28	5.76	-110.62
CCCCCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000543043	0	47	-2.0	-113.20	408.63	5.86	-107.34
CCCCCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000543044	0	44	-2.0	-109.74	397.89	5.85	-103.89
CCCCCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000543045	0	46	-2.0	-119.16	401.84	4.85	-114.31
COC(=O)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2S1	REAL300000543046	1	36	-2.0	-87.95	354.04	5.16	-82.79
COC(=O)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2S1	REAL300000543047	1	36	-2.0	-99.28	354.05	5.15	-94.13
COC(=O)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2S1	REAL300000543048	0	33	-2.0	-94.03	347.23	4.17	-89.86
COC(=O)C1=NC2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2S1	REAL300000543049	0	37	-2.0	-97.83	360.70	4.50	-93.33
COC(=O)C1=NC2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2S1	REAL300000543050	0	33	-2.0	-95.49	345.70	4.19	-91.30
COC(=O)C1=NC2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2S1	REAL300000543051	0	36	-2.0	-93.95	357.06	4.30	-89.65
COC(=O)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2S1	REAL300000543052	0	33	-2.0	-89.43	346.32	4.28	-85.15
COC(=O)C1=NC2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2S1	REAL300000543053	0	35	-2.0	-95.94	351.04	3.21	-92.73
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)=C1	REAL300000543058	0	38	-2.0	-110.76	357.06	5.42	-105.34
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=CN3)C=C2)=C1	REAL300000543058	1	38	-2.0	-106.84	355.78	5.94	-100.90
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)=C1	REAL300000543059	0	35	-2.0	-107.76	344.76	4.38	-103.38
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=CN3)C=C2)=C1	REAL300000543059	1	35	-2.0	-104.06	343.49	4.88	-99.18
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)C=C1C(=O)[O-]	REAL300000543061	1	39	-2.0	-112.00	358.23	4.72	-107.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)=C1	REAL300000543062	0	38	-2.0	-103.97	360.71	5.05	-98.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=CN3)C=C2)=C1	REAL300000543062	1	38	-2.0	-100.97	359.41	5.54	-95.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)=CS1	REAL300000543063	1	35	-2.0	-109.20	343.23	4.39	-104.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000543064	0	38	-2.0	-107.67	354.59	4.50	-103.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=CN3)C=C2)C=C(C(=O)[O-])O1	REAL300000543064	1	38	-2.0	-104.93	353.31	5.00	-99.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000543065	1	38	-2.0	-111.07	360.18	5.25	-105.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)S1	REAL300000543067	0	35	-2.0	-102.71	343.85	4.49	-98.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=CN3)C=C2)S1	REAL300000543067	1	35	-2.0	-99.15	342.57	5.00	-94.15
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)=C1	REAL300000543068	1	38	-2.0	-104.44	357.98	5.43	-99.01
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)C(F)=C1	REAL300000543069	0	38	-2.0	-100.37	357.04	5.43	-94.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=CN3)C=C2)C(F)=C1	REAL300000543069	1	38	-2.0	-97.35	355.77	5.94	-91.41
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)C=C1C(=O)[O-]	REAL300000543074	1	42	-2.0	-113.26	379.60	5.58	-107.68
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)=C1F	REAL300000543076	0	38	-2.0	-117.42	355.20	5.39	-112.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=CN3)C=C2)=C1F	REAL300000543076	1	38	-2.0	-113.88	353.96	5.90	-107.98
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)=C1	REAL300000543077	0	37	-2.0	-111.03	347.79	3.47	-107.56
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=CN3)C=C2)=C1	REAL300000543077	1	37	-2.0	-107.94	346.51	3.98	-103.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)=C(Cl)O1	REAL300000543078	0	35	-2.0	-101.49	351.73	4.35	-97.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=CN3)C=C2)=C(Cl)O1	REAL300000543078	1	35	-2.0	-98.62	350.45	4.84	-93.78
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NNC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000543079	0	41	-2.0	-107.60	373.70	5.35	-102.25
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=CN3)C=C2)C=C(C(=O)[O-])O1	REAL300000543079	1	41	-2.0	-104.87	372.42	5.85	-99.02
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000543080	0	44	-2.0	-90.00	383.43	4.14	-85.86
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000543081	0	37	-2.0	-106.69	331.51	5.59	-101.10
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=C(C)N=C1C	REAL300000543082	0	45	-2.0	-107.09	386.59	6.53	-100.56
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000543083	0	37	-2.0	-96.89	326.94	5.56	-91.33
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000543084	0	37	-2.0	-109.18	326.97	5.55	-103.63
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=C(C)N=C1C	REAL300000543085	0	41	-2.0	-114.34	355.11	5.24	-109.10
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000543086	0	41	-2.0	-96.09	358.42	6.86	-89.23
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000543087	0	40	-2.0	-110.40	342.98	6.08	-104.32
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000543088	0	37	-2.0	-104.46	340.03	6.10	-98.36
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000543089	0	37	-2.0	-105.10	339.48	5.94	-99.16
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000543090	0	43	-2.0	-112.17	359.63	6.88	-105.29
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000543091	0	37	-2.0	-106.27	332.44	5.61	-100.66
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000543092	0	43	-2.0	-95.19	370.53	7.13	-88.06
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000543093	0	34	-2.0	-103.76	320.15	4.61	-99.15
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000543094	0	40	-2.0	-109.81	342.40	6.30	-103.51
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000543095	0	41	-2.0	-94.80	358.04	5.84	-88.96
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000543096	0	38	-2.0	-107.67	333.62	4.94	-102.73
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000543097	0	41	-2.0	-110.11	351.16	4.32	-105.79
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000543098	0	37	-2.0	-99.96	336.08	5.26	-94.70
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000543099	0	43	-2.0	-111.44	358.01	6.89	-104.55
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000543100	0	34	-2.0	-104.93	318.62	4.60	-100.33
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000543101	0	45	-2.0	-109.85	385.31	5.36	-104.49
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(C)N=C2C)C=C1C(=O)[O-]	REAL300000543102	0	41	-2.0	-115.12	354.26	5.63	-109.49
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000543103	0	47	-2.0	-113.85	382.20	8.16	-105.69
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000543104	0	46	-2.0	-111.76	380.87	7.54	-104.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=C(C)N=C1C	REAL300000543105	0	43	-2.0	-108.01	356.49	7.21	-100.80
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=C(C)N=C1C	REAL300000543106	0	44	-2.0	-113.51	377.40	6.01	-107.50
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000543107	0	39	-3.0	-185.53	355.37	6.12	-179.41
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000543108	0	44	-2.0	-114.22	371.21	7.44	-106.78
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000543109	0	37	-2.0	-103.24	331.81	4.67	-98.57
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000543110	0	43	-2.0	-114.39	369.14	5.32	-109.07
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000543111	0	41	-2.0	-110.45	355.89	4.54	-105.91
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000543112	0	45	-2.0	-96.11	380.61	6.17	-89.94
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000543113	0	37	-2.0	-101.36	344.56	6.11	-95.25
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000543114	0	44	-2.0	-95.29	378.12	6.53	-88.76
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000543115	0	40	-2.0	-100.73	347.68	6.33	-94.40
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000543116	0	41	-2.0	-94.37	364.27	5.89	-88.48
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(C)N=C2C)C=C1C(=O)[O-]	REAL300000543117	0	44	-2.0	-115.78	376.11	6.53	-109.25
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000543118	0	37	-2.0	-106.32	336.66	5.44	-100.88
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000543119	0	37	-2.0	-94.38	340.02	6.09	-88.29
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000543120	0	37	-2.0	-96.50	331.50	5.60	-90.90
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000543121	0	34	-2.0	-98.69	319.23	4.70	-93.99
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000543122	0	37	-2.0	-100.31	333.38	5.62	-94.69
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000543123	0	40	-2.0	-107.92	352.74	6.25	-101.67
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000543124	0	37	-2.0	-96.41	332.42	5.62	-90.79
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000543125	0	37	-2.0	-94.53	339.46	5.96	-88.57
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000543126	0	40	-2.0	-102.34	356.41	6.71	-95.63
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000543127	0	45	-2.0	-92.71	390.71	6.96	-85.75
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000543128	0	37	-2.0	-98.45	337.79	5.64	-92.81
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000543129	0	39	-2.0	-94.52	355.15	6.22	-88.30
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000543130	0	38	-2.0	-108.65	336.68	3.16	-105.49
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000543131	0	40	-2.0	-100.10	349.13	6.33	-93.77
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000543132	0	37	-2.0	-99.94	347.68	6.08	-93.86
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000543133	0	40	-2.0	-106.38	340.80	6.26	-100.12
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000543134	0	40	-2.0	-108.15	351.80	6.20	-101.95
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000543135	0	40	-2.0	-97.11	342.38	6.28	-90.83
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000543136	0	43	-2.0	-112.45	359.85	6.62	-105.83
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000543137	0	39	-2.0	-107.62	353.54	6.64	-100.98
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000543138	0	37	-2.0	-98.24	338.72	5.68	-92.56
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000543139	0	43	-2.0	-109.83	360.36	6.95	-102.88
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000543140	0	40	-2.0	-108.62	352.28	6.25	-102.37
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000543141	0	40	-2.0	-106.37	358.71	6.67	-99.70
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000543142	0	40	-2.0	-114.24	352.00	6.24	-108.00
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(C)N=C2C)C=C1C(=O)[O-]	REAL300000543143	0	43	-2.0	-111.14	360.93	6.73	-104.41
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=C(C)N=C2C)C=C1CC(=O)[O-]	REAL300000543144	0	44	-2.0	-111.83	377.44	5.67	-106.16
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000543145	0	40	-2.0	-98.86	353.23	6.71	-92.15
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000543146	0	40	-2.0	-106.94	358.19	6.52	-100.42
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=C(C)N=C2C)C=C1C(=O)[O-]	REAL300000543147	0	41	-2.0	-108.96	355.00	5.80	-103.16
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000543148	0	40	-2.0	-102.71	356.84	6.52	-96.19
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000543149	0	46	-2.0	-105.65	376.41	7.57	-98.08
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000543150	0	40	-2.0	-98.62	347.03	6.20	-92.42
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000543151	0	42	-2.0	-100.53	370.22	7.56	-92.97
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000543152	0	40	-2.0	-107.63	346.50	6.37	-101.26
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000543153	0	39	-2.0	-115.92	350.71	7.26	-108.66
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000543154	0	37	-2.0	-113.32	330.62	5.58	-107.74
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000543155	0	40	-2.0	-101.09	348.15	6.12	-94.97
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000543156	0	43	-2.0	-117.58	368.01	7.69	-109.89
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000543157	0	36	-2.0	-107.19	323.19	3.70	-103.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(OC)C=C(C)N=C1C	REAL300000543158	0	41	-2.0	-101.04	355.16	5.23	-95.81
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000543159	0	34	-2.0	-97.34	327.12	4.55	-92.79
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000543160	0	44	-2.0	-103.30	373.09	7.43	-95.87
COC1=CC(C)=NC(C)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000543161	0	44	-2.0	-106.29	371.06	7.42	-98.87
CCC1=C(S(=O)(=O)[N-]C2=C(OC)C=C(C)N=C2C)C=C(C(=O)[O-])O1	REAL300000543162	0	40	-2.0	-103.14	347.16	5.48	-97.66
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1	REAL300000543163	0	41	-2.0	-98.74	364.59	6.00	-92.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=CC=C1F	REAL300000543164	0	34	-2.0	-114.47	312.65	7.45	-107.02
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C2CCCCN21	REAL300000543165	0	42	-2.0	-117.17	367.72	8.53	-108.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1	REAL300000543166	0	34	-2.0	-104.23	308.10	7.42	-96.81
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543167	0	34	-2.0	-117.24	308.10	7.42	-109.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C2CCCCN21	REAL300000543168	0	38	-2.0	-123.62	336.24	7.23	-116.39
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1	REAL300000543169	0	38	-2.0	-104.73	339.58	8.71	-96.02
CC1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1C(=O)[O-]	REAL300000543170	0	37	-2.0	-118.41	324.13	7.95	-110.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1C	REAL300000543171	0	40	-2.0	-121.11	340.77	8.78	-112.33
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543172	0	34	-2.0	-114.98	313.57	7.48	-107.50
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1	REAL300000543173	0	40	-2.0	-104.22	351.69	9.01	-95.21
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543174	0	31	-2.0	-111.03	301.29	6.44	-104.59
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C2CCCCN21	REAL300000543175	0	37	-2.0	-118.97	323.53	8.20	-110.77
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1	REAL300000543176	0	38	-2.0	-103.32	339.17	7.70	-95.62
CN1C=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1C(=O)[O-]	REAL300000543177	0	35	-2.0	-115.44	314.76	6.77	-108.67
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C2CCCCN21	REAL300000543178	0	38	-2.0	-119.73	331.88	6.25	-113.48
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543179	0	34	-2.0	-106.91	317.21	7.10	-99.81
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1C(=O)[O-]	REAL300000543180	0	40	-2.0	-120.25	339.56	8.74	-111.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=CS1	REAL300000543181	0	31	-2.0	-112.76	299.77	6.44	-106.32
COC1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=CC(C(=O)[O-])=C1OC	REAL300000543182	0	42	-2.0	-117.15	366.44	7.23	-109.92
COC1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1C(=O)[O-]	REAL300000543183	0	38	-2.0	-123.05	335.40	7.48	-115.57
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543184	0	44	-2.0	-122.75	363.33	10.05	-112.70
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C2CCCCN21	REAL300000543185	0	43	-2.0	-121.41	362.01	9.44	-111.97
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C2CCCCN21	REAL300000543186	0	40	-2.0	-117.58	338.23	9.15	-108.43
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C2CCCCN21	REAL300000543187	0	41	-2.0	-124.08	358.53	7.99	-116.09
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543188	0	36	-3.0	-190.22	336.51	7.98	-182.24
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543189	0	41	-2.0	-123.13	352.35	9.30	-113.83
CC1=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C(C(=O)[O-])O1	REAL300000543190	0	34	-2.0	-110.93	311.11	6.56	-104.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=CC2=C1OCCO2	REAL300000543191	0	40	-2.0	-121.67	350.28	7.19	-114.48
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543192	0	38	-2.0	-117.21	337.02	6.52	-110.69
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NN=C4CCCCN43)C=C2C1	REAL300000543193	0	42	-2.0	-104.05	361.04	8.02	-96.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=CC(Cl)=C1Cl	REAL300000543194	0	34	-2.0	-106.43	335.79	8.27	-98.16
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1Cl	REAL300000543195	0	38	-2.0	-101.75	355.22	8.24	-93.51
CC1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=CC=C1OCC(=O)[O-]	REAL300000543196	0	41	-2.0	-103.69	359.27	8.41	-95.28
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1F	REAL300000543197	0	44	-2.0	-102.78	387.86	8.67	-94.11
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C2CCCCN21	REAL300000543198	0	37	-2.0	-108.97	328.81	8.23	-100.74
CC1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=CC=C1OCCCC(=O)[O-]	REAL300000543199	0	47	-2.0	-104.29	401.72	9.34	-94.95
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1F	REAL300000543200	0	38	-2.0	-102.55	345.41	7.76	-94.79
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1C(=O)[O-]	REAL300000543201	0	41	-2.0	-123.68	357.26	8.39	-115.29
CC1=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C(C(=O)[O-])S1	REAL300000543202	0	34	-2.0	-114.88	317.79	7.30	-107.58
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543203	0	34	-2.0	-106.76	336.33	8.42	-98.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C(Cl)=C1	REAL300000543204	0	34	-2.0	-101.74	321.15	7.97	-93.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1F	REAL300000543205	0	34	-2.0	-103.54	312.63	7.46	-96.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)S1	REAL300000543206	0	31	-2.0	-105.77	300.36	6.55	-99.22
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543207	0	34	-2.0	-107.77	314.52	7.48	-100.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1F	REAL300000543208	0	37	-2.0	-116.31	333.86	8.12	-108.19
COC1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C(Cl)C=C1C(=O)[O-]	REAL300000543209	0	38	-2.0	-106.07	348.40	8.03	-98.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C(F)=C1	REAL300000543210	0	34	-2.0	-103.51	313.56	7.49	-96.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1Cl	REAL300000543211	0	34	-2.0	-101.71	320.60	7.82	-93.89
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C2CCCCN21	REAL300000543212	0	37	-2.0	-110.80	337.54	8.62	-102.18
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1	REAL300000543213	0	42	-2.0	-101.62	371.86	8.83	-92.79
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543214	0	36	-2.0	-101.75	336.30	8.09	-93.66
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543215	0	35	-2.0	-118.04	317.81	5.15	-112.89
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1	REAL300000543216	0	37	-2.0	-108.91	330.30	8.20	-100.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=CC(Cl)=C1F	REAL300000543217	0	34	-2.0	-107.28	328.82	7.95	-99.33
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN=C2CCCCN21	REAL300000543218	0	37	-2.0	-112.57	318.14	8.06	-104.51
CC1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=CC(C(=O)[O-])=C1F	REAL300000543219	0	37	-2.0	-115.73	332.94	8.07	-107.66
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN=C2CCCCN21	REAL300000543220	0	37	-2.0	-104.49	323.51	8.19	-96.30
CC1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=CC(C(=O)[O-])=C1C	REAL300000543221	0	40	-2.0	-120.15	341.57	8.50	-111.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=CC=C1[N+](=O)[O-]	REAL300000543222	0	36	-2.0	-114.94	334.69	8.50	-106.44
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543223	0	34	-2.0	-106.18	319.84	7.54	-98.64
CC1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C(C)=C1C(=O)[O-]	REAL300000543224	0	40	-2.0	-116.94	341.63	8.83	-108.11
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1C(=O)[O-]	REAL300000543225	0	37	-2.0	-117.28	333.42	8.12	-109.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1Cl	REAL300000543226	0	37	-2.0	-115.03	339.86	8.54	-106.49
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543227	0	37	-2.0	-121.05	333.15	8.11	-112.94
CCC1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1C(=O)[O-]	REAL300000543228	0	40	-2.0	-119.07	342.43	8.60	-110.47
COC1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1CC(=O)[O-]	REAL300000543229	0	41	-2.0	-119.72	358.58	7.55	-112.17
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN=C2CCCCN21	REAL300000543230	0	37	-2.0	-105.79	334.36	8.60	-97.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1C(F)(F)F	REAL300000543231	0	37	-2.0	-100.67	338.23	8.22	-92.45
CC1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=CC(C(=O)[O-])=C1Cl	REAL300000543232	0	37	-2.0	-114.56	339.33	8.38	-106.18
CCN1C=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1C(=O)[O-]	REAL300000543233	0	38	-2.0	-116.63	336.05	7.63	-109.00
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C(C)=C1CC(=O)[O-]	REAL300000543234	0	46	-2.0	-116.99	373.26	10.29	-106.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C(F)C(Cl)=C1F	REAL300000543235	0	34	-2.0	-104.71	333.71	7.97	-96.74
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1C(=O)[O-]	REAL300000543236	0	37	-2.0	-111.41	341.88	8.49	-102.92
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1C(=O)[O-]	REAL300000543237	0	38	-2.0	-118.86	348.42	8.04	-110.82
CC1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=CC=C1C(=O)[O-]	REAL300000543238	0	37	-2.0	-104.31	324.12	7.96	-96.35
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C([N+](=O)[O-])=C1	REAL300000543239	0	39	-2.0	-109.79	351.35	9.62	-100.17
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C2CCCCN21	REAL300000543240	0	37	-2.0	-116.50	327.64	8.26	-108.24
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1[N+](=O)[O-]	REAL300000543241	0	36	-2.0	-123.70	331.83	9.28	-114.42
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1F	REAL300000543242	0	34	-2.0	-120.50	311.74	7.44	-113.06
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C1C(=O)[O-]	REAL300000543243	0	37	-2.0	-109.54	333.06	8.09	-101.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=CC2=CC=CC=C21	REAL300000543244	0	40	-2.0	-125.26	349.15	9.55	-115.71
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C1	REAL300000543245	0	33	-2.0	-114.60	304.31	5.54	-109.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN=C2CCCCN21	REAL300000543246	0	38	-2.0	-108.73	336.30	7.23	-101.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=C3CCCCN32)=C(Cl)O1	REAL300000543247	0	31	-2.0	-104.33	308.21	6.38	-97.95
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN=C4CCCCN43)C=C2)CC1	REAL300000543248	0	41	-2.0	-111.71	354.23	9.31	-102.40
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN=C4CCCCN43)C=C2C1	REAL300000543249	0	41	-2.0	-106.15	353.20	9.31	-96.84
CCC1=C(S(=O)(=O)[N-]C2=NN=C3CCCCN32)C=C(C(=O)[O-])O1	REAL300000543250	0	37	-2.0	-110.96	330.22	7.41	-103.55
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000543251	0	37	-2.0	-116.57	357.30	7.89	-108.68
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000543252	0	37	-2.0	-106.61	352.69	7.85	-98.76
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000543253	0	37	-2.0	-120.69	352.73	7.85	-112.84
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000543254	0	40	-2.0	-122.01	367.99	8.35	-113.66
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000543255	0	37	-2.0	-117.53	358.22	7.91	-109.62
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000543256	0	34	-2.0	-114.15	345.89	6.87	-107.28
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000543257	0	40	-2.0	-121.23	368.16	8.63	-112.60
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000543258	0	38	-2.0	-118.57	359.35	7.21	-111.36
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NOC(C3=CC=CC=C3F)=C2C)=C1	REAL300000543259	0	37	-2.0	-109.75	361.85	7.55	-102.20
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000543260	0	34	-2.0	-114.85	344.42	6.90	-107.95
CC1=C(S(=O)(=O)[N-]C2=NOC(C3=CC=CC=C3F)=C2C)C=C(C(=O)[O-])O1	REAL300000543261	0	37	-2.0	-113.05	355.74	7.00	-106.05
CC1=C(S(=O)(=O)[N-]C2=NOC(C3=CC=CC=C3F)=C2C)C=C(C(=O)[O-])S1	REAL300000543262	0	37	-2.0	-118.27	361.33	7.74	-110.53
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000543263	0	37	-2.0	-105.78	357.22	7.88	-97.90
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000543264	0	34	-2.0	-108.51	344.99	6.99	-101.52
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000543265	0	37	-2.0	-110.93	359.17	7.93	-103.00
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000543266	0	37	-2.0	-106.18	358.20	7.92	-98.26
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000543267	0	38	-2.0	-120.25	362.45	5.59	-114.66
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000543268	0	40	-2.0	-111.28	374.94	8.64	-102.64
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000543269	0	40	-2.0	-115.95	361.92	8.46	-107.49
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000543270	0	40	-2.0	-106.80	368.14	8.62	-98.18
CCN1C=C(S(=O)(=O)[N-]C2=NOC(C3=CC=CC=C3F)=C2C)C=C1C(=O)[O-]	REAL300000543271	0	41	-2.0	-118.96	380.79	8.09	-110.87
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000543272	0	40	-2.0	-108.24	371.64	8.45	-99.79
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000543273	0	37	-2.0	-122.68	356.36	7.88	-114.80
CC1=C(C2=CC=CC=C2F)ON=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000543274	0	36	-2.0	-117.18	348.95	5.98	-111.20
CCC1=C(S(=O)(=O)[N-]C2=NOC(C3=CC=CC=C3F)=C2C)C=C(C(=O)[O-])O1	REAL300000543275	0	40	-2.0	-113.00	374.87	7.87	-105.13
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)N1C	REAL300000543276	0	37	-2.0	-96.82	343.80	4.89	-91.93
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)N1C	REAL300000543277	0	30	-2.0	-112.21	290.88	6.28	-105.93
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C(C)N1C	REAL300000543278	0	38	-2.0	-114.92	347.01	7.40	-107.52
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C(C)N1C	REAL300000543279	0	34	-2.0	-121.04	315.53	6.11	-114.93
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)N1C	REAL300000543280	0	30	-2.0	-110.13	302.59	6.74	-103.39
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)N1C	REAL300000543281	0	34	-2.0	-102.70	318.79	7.59	-95.11
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)N1C	REAL300000543282	0	33	-2.0	-115.76	303.41	6.83	-108.93
CC1=NN=C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)N1C	REAL300000543283	0	36	-2.0	-118.35	320.50	7.64	-110.71
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)N1C	REAL300000543284	0	30	-2.0	-112.47	292.86	6.36	-106.11
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)N1C	REAL300000543285	0	36	-2.0	-102.16	330.90	7.89	-94.27
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)N1C	REAL300000543286	0	27	-2.0	-108.85	280.59	5.33	-103.52
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)N1C	REAL300000543287	0	33	-2.0	-116.68	302.82	7.08	-109.60
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)N1C	REAL300000543288	0	34	-2.0	-101.27	318.41	6.58	-94.69
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)N1C	REAL300000543289	0	41	-2.0	-98.10	364.24	7.37	-90.73
CC1=NN=C([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)N1C	REAL300000543290	0	27	-2.0	-106.31	297.60	6.08	-100.23
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)N1C	REAL300000543291	0	34	-2.0	-117.23	311.19	5.15	-112.08
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN=C(C)N2C)=C1	REAL300000543292	0	30	-2.0	-104.68	296.50	5.99	-98.69
CC1=NN=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)N1C	REAL300000543293	0	36	-2.0	-119.13	322.85	7.72	-111.41
CC1=NN=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)N1C	REAL300000543294	0	27	-2.0	-110.52	279.04	5.32	-105.20
COC1=CC(S(=O)(=O)[N-]C2=NN=C(C)N2C)=CC(C(=O)[O-])=C1OC	REAL300000543295	0	38	-2.0	-114.62	344.67	6.06	-108.56
COC1=CC=C(S(=O)(=O)[N-]C2=NN=C(C)N2C)C=C1C(=O)[O-]	REAL300000543296	0	34	-2.0	-120.58	314.68	6.37	-114.21
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)N1C	REAL300000543297	0	40	-2.0	-120.27	342.63	8.94	-111.33
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)N1C	REAL300000543298	0	39	-2.0	-119.00	341.29	8.31	-110.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C(C)N1C	REAL300000543299	0	36	-2.0	-115.39	317.53	8.03	-107.36
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C(C)N1C	REAL300000543300	0	37	-2.0	-121.51	337.84	6.87	-114.64
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)N1C	REAL300000543301	0	32	-3.0	-186.98	314.75	6.82	-180.16
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)N1C	REAL300000543302	0	37	-2.0	-120.56	331.63	8.19	-112.37
CC1=NN=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)N1C	REAL300000543303	0	30	-2.0	-108.88	290.35	5.44	-103.44
CC1=NN=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)N1C	REAL300000543304	0	36	-2.0	-119.11	329.58	6.07	-113.04
CC1=NN=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)N1C	REAL300000543305	0	34	-2.0	-114.29	316.31	5.40	-108.89
CC1=NN=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)N1C	REAL300000543306	0	38	-2.0	-102.70	339.99	6.86	-95.84
CC1=NN=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)N1C	REAL300000543307	0	30	-2.0	-104.13	314.02	7.10	-97.03
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)N1C	REAL300000543308	0	34	-2.0	-99.76	334.50	7.13	-92.63
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)N1C	REAL300000543309	0	37	-2.0	-101.66	338.55	7.29	-94.37
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)N1C	REAL300000543310	0	40	-2.0	-101.03	367.15	7.55	-93.48
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)N1C	REAL300000543311	0	33	-2.0	-106.83	308.10	7.12	-99.71
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)N1C	REAL300000543312	0	43	-2.0	-102.32	381.01	8.22	-94.10
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)N1C	REAL300000543313	0	34	-2.0	-100.65	324.69	6.65	-94.00
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)N1C	REAL300000543314	0	40	-2.0	-100.71	376.95	8.04	-92.67
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN=C(C)N2C)C=C1C(=O)[O-]	REAL300000543315	0	37	-2.0	-121.19	336.54	7.28	-113.91
CC1=NN=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)N1C	REAL300000543316	0	30	-2.0	-112.66	297.08	6.19	-106.47
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)N1C	REAL300000543317	0	30	-2.0	-104.48	315.62	7.32	-97.16
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)N1C	REAL300000543318	0	30	-2.0	-99.53	300.44	6.86	-92.67
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)N1C	REAL300000543319	0	30	-2.0	-99.06	303.79	7.01	-92.05
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)N1C	REAL300000543320	0	30	-2.0	-101.49	291.94	6.34	-95.15
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)N1C	REAL300000543321	0	27	-2.0	-103.64	279.66	5.43	-98.21
CC1=NN=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)N1C	REAL300000543322	0	30	-2.0	-105.40	292.75	6.32	-99.08
CC1=NN=C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)N1C	REAL300000543323	0	33	-2.0	-113.72	313.15	7.01	-106.71
COC1=CC(S(=O)(=O)[N-]C2=NN=C(C)N2C)=C(Cl)C=C1C(=O)[O-]	REAL300000543324	0	34	-2.0	-103.95	327.69	6.92	-97.03
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)N1C	REAL300000543325	0	30	-2.0	-101.24	292.85	6.37	-94.87
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)N1C	REAL300000543326	0	30	-2.0	-99.63	299.89	6.70	-92.93
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)N1C	REAL300000543327	0	33	-2.0	-108.53	316.84	7.50	-101.03
CC1=NN=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)N1C	REAL300000543328	0	33	-2.0	-103.71	318.23	7.60	-96.11
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)N1C	REAL300000543329	0	38	-2.0	-99.72	351.14	7.71	-92.01
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)N1C	REAL300000543330	0	30	-2.0	-99.13	303.64	6.80	-92.33
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)N1C	REAL300000543331	0	32	-2.0	-99.60	314.54	6.92	-92.68
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)N1C	REAL300000543332	0	31	-2.0	-115.84	297.11	4.03	-111.81
CC1=NN=C([N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)N1C	REAL300000543333	0	33	-2.0	-108.32	320.23	7.32	-101.00
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)N1C	REAL300000543334	0	33	-2.0	-106.73	309.50	7.08	-99.65
CC1=NN=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)N1C	REAL300000543335	0	30	-2.0	-105.04	307.05	6.78	-98.26
CC1=NN=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)N1C	REAL300000543336	0	33	-2.0	-110.05	297.45	6.95	-103.10
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)N1C	REAL300000543337	0	33	-2.0	-109.05	320.86	7.59	-101.46
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)N1C	REAL300000543338	0	33	-2.0	-113.35	311.18	6.91	-106.44
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)N1C	REAL300000543339	0	33	-2.0	-102.48	302.81	7.07	-95.41
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)N1C	REAL300000543340	0	36	-2.0	-118.83	323.15	7.42	-111.41
CC1=NN=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)N1C	REAL300000543341	0	32	-2.0	-112.95	313.98	7.40	-105.55
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)N1C	REAL300000543342	0	30	-2.0	-103.79	299.16	6.43	-97.36
CC1=NN=C([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)N1C	REAL300000543343	0	27	-2.0	-100.88	297.38	6.13	-94.75
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)N1C	REAL300000543344	0	36	-2.0	-114.34	320.78	7.73	-106.61
CC1=NN=C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)N1C	REAL300000543345	0	33	-2.0	-113.53	308.88	6.90	-106.63
CC1=NN=C([N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)N1C	REAL300000543346	0	33	-2.0	-112.65	319.16	7.44	-105.21
CC1=NN=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)N1C	REAL300000543347	0	33	-2.0	-118.18	312.43	6.99	-111.19
CCC1=CC=C(S(=O)(=O)[N-]C2=NN=C(C)N2C)C=C1C(=O)[O-]	REAL300000543348	0	36	-2.0	-116.59	321.36	7.49	-109.10
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)N1C	REAL300000543349	0	30	-2.0	-107.08	308.33	7.04	-100.04
COC1=CC=C(S(=O)(=O)[N-]C2=NN=C(C)N2C)C=C1CC(=O)[O-]	REAL300000543350	0	37	-2.0	-116.07	337.88	6.43	-109.64
CC1=NN=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)N1C	REAL300000543351	0	33	-2.0	-103.34	313.65	7.49	-95.85
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)N1C	REAL300000543352	0	33	-2.0	-98.68	317.52	7.12	-91.56
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)N1C	REAL300000543353	0	33	-2.0	-112.18	317.57	7.21	-104.97
CC1=NN=C([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)N1C	REAL300000543354	0	30	-2.0	-107.26	307.64	6.87	-100.39
CC1=NN=C([N-]S(=O)(=O)C2=C(Br)C(C)=CC(C(=O)[O-])=C2)N1C	REAL300000543355	0	33	-2.0	-112.17	321.96	7.59	-104.58
CCN1C=C(S(=O)(=O)[N-]C2=NN=C(C)N2C)C=C1C(=O)[O-]	REAL300000543356	0	34	-2.0	-114.16	314.38	6.48	-107.68
CC1=NN=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)N1C	REAL300000543357	0	42	-2.0	-114.08	352.55	9.18	-104.90
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)N1C	REAL300000543358	0	30	-2.0	-102.45	313.01	6.86	-95.59
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)N1C	REAL300000543359	0	34	-2.0	-100.98	332.09	6.60	-94.38
CC1=NN=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)N1C	REAL300000543360	0	33	-2.0	-107.85	316.21	7.22	-100.63
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN=C(C)N2C)C=C1C(=O)[O-]	REAL300000543361	0	34	-2.0	-116.51	327.72	6.93	-109.58
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)N1C	REAL300000543362	0	33	-2.0	-103.67	307.47	6.95	-96.72
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])N1C	REAL300000543363	0	35	-2.0	-107.42	328.12	8.49	-98.93
CC1=NN=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)N1C	REAL300000543364	0	33	-2.0	-114.26	306.93	7.15	-107.11
CC1=NN=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])N1C	REAL300000543365	0	32	-2.0	-120.88	311.13	8.16	-112.72
CC1=NN=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)N1C	REAL300000543366	0	30	-2.0	-117.66	291.06	6.34	-111.32
CC1=NN=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)N1C	REAL300000543367	0	33	-2.0	-106.16	307.51	6.83	-99.33
CC1=NN=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)N1C	REAL300000543368	0	36	-2.0	-122.64	328.44	8.42	-114.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN=C(C)N1C	REAL300000543369	0	34	-2.0	-106.36	315.60	6.11	-100.25
CC1=NN=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)N1C	REAL300000543370	0	27	-2.0	-102.35	287.55	5.28	-97.07
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)N1C	REAL300000543371	0	34	-2.0	-109.88	331.18	6.85	-103.03
CC1=NN=C([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)N1C	REAL300000543372	0	33	-2.0	-104.91	330.73	3.34	-101.57
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)N1C	REAL300000543373	0	37	-2.0	-109.45	333.45	8.19	-101.26
CC1=NN=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)N1C	REAL300000543374	0	37	-2.0	-111.26	331.79	8.15	-103.11
CCC1=C(S(=O)(=O)[N-]C2=NN=C(C)N2C)C=C(C(=O)[O-])O1	REAL300000543375	0	33	-2.0	-108.81	309.52	6.29	-102.52
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NO1	REAL300000543376	0	32	-2.0	-111.46	322.45	-0.73	-112.19
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NO1	REAL300000543377	0	32	-2.0	-103.92	319.63	-0.78	-104.70
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NO1	REAL300000543378	0	32	-2.0	-118.38	317.91	-0.76	-119.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NOC(C)=C1S(N)(=O)=O	REAL300000543379	0	36	-2.0	-123.22	346.07	-0.93	-124.15
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NO1	REAL300000543380	0	36	-2.0	-103.16	349.36	0.53	-102.63
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NO1	REAL300000543381	0	35	-2.0	-121.00	337.98	-0.11	-121.11
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NO1	REAL300000543382	0	32	-2.0	-113.69	331.04	-0.20	-113.89
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NO1	REAL300000543383	0	32	-2.0	-109.69	330.47	-0.37	-110.06
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)=NO1	REAL300000543384	0	38	-2.0	-121.11	350.65	0.59	-120.52
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NO1	REAL300000543385	0	32	-2.0	-115.16	323.44	-0.70	-115.86
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NO1	REAL300000543386	0	38	-2.0	-103.32	361.53	0.82	-102.50
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NO1	REAL300000543387	0	29	-2.0	-111.63	311.17	-1.72	-113.35
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NO1	REAL300000543388	0	35	-2.0	-119.01	333.36	0.03	-118.98
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NO1	REAL300000543389	0	36	-2.0	-102.24	349.03	-0.48	-102.72
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NO1	REAL300000543390	0	33	-2.0	-116.25	326.34	-1.44	-117.69
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=NO1	REAL300000543391	0	36	-2.0	-119.70	341.77	-1.91	-121.61
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NOC(C)=C2S(N)(=O)=O)=C1	REAL300000543392	0	32	-2.0	-105.84	327.03	-1.07	-106.91
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=NO1	REAL300000543393	0	38	-2.0	-121.72	353.38	0.67	-121.05
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NO1	REAL300000543394	0	29	-2.0	-109.90	309.61	-1.74	-111.64
COC1=CC=C(S(=O)(=O)[N-]C2=NOC(C)=C2S(N)(=O)=O)C=C1C(=O)[O-]	REAL300000543395	0	36	-2.0	-119.49	345.24	-0.70	-120.19
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NOC(C)=C1S(N)(=O)=O	REAL300000543396	0	38	-2.0	-117.32	348.11	0.98	-116.34
CC1=C(S(=O)(=O)[N-]C2=NOC(C)=C2S(N)(=O)=O)C=C(C(=O)[O-])O1	REAL300000543397	0	32	-2.0	-112.28	320.97	-1.61	-113.89
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=NO1	REAL300000543398	0	36	-2.0	-115.69	346.85	-1.65	-117.34
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NO1	REAL300000543399	0	35	-2.0	-108.95	338.69	0.05	-108.90
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NO1	REAL300000543400	0	32	-2.0	-114.98	326.61	-0.87	-115.85
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NO1	REAL300000543401	0	32	-2.0	-100.78	331.03	-0.21	-100.99
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NO1	REAL300000543402	0	32	-2.0	-103.73	324.18	-0.76	-104.49
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NO1	REAL300000543403	0	29	-2.0	-104.48	310.22	-1.63	-106.11
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NO1	REAL300000543404	0	32	-2.0	-109.22	325.48	-0.72	-109.94
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)=NO1	REAL300000543405	0	35	-2.0	-115.36	343.74	-0.05	-115.41
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NO1	REAL300000543406	0	32	-2.0	-102.32	323.44	-0.70	-103.02
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NO1	REAL300000543407	0	32	-2.0	-101.39	332.20	-0.39	-101.78
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NO1	REAL300000543408	0	32	-2.0	-103.38	329.89	-0.70	-104.08
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NO1	REAL300000543409	0	33	-2.0	-117.18	327.65	-3.04	-120.22
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NO1	REAL300000543410	0	35	-2.0	-107.95	340.13	0.02	-107.93
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NO1	REAL300000543411	0	35	-2.0	-110.97	328.00	-0.10	-111.07
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)=NO1	REAL300000543412	0	35	-2.0	-112.77	343.91	-0.15	-112.92
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NO1	REAL300000543413	0	35	-2.0	-104.52	333.33	0.02	-104.50
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=NO1	REAL300000543414	0	38	-2.0	-123.70	355.87	0.37	-123.33
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NO1	REAL300000543415	0	32	-2.0	-105.46	329.68	-0.62	-106.08
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NO1	REAL300000543416	0	38	-2.0	-115.45	352.40	0.63	-114.82
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)=NO1	REAL300000543417	0	35	-2.0	-115.23	339.48	-0.16	-115.39
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=NO1	REAL300000543418	0	35	-2.0	-118.37	343.02	-0.07	-118.44
CCC1=CC=C(S(=O)(=O)[N-]C2=NOC(C)=C2S(N)(=O)=O)C=C1C(=O)[O-]	REAL300000543419	0	38	-2.0	-116.10	353.60	0.39	-115.71
CCN1C=C(S(=O)(=O)[N-]C2=NOC(C)=C2S(N)(=O)=O)C=C1C(=O)[O-]	REAL300000543420	0	36	-2.0	-117.62	345.95	-0.53	-118.15
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NO1	REAL300000543421	0	35	-2.0	-104.74	333.97	-0.22	-104.96
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=NO1	REAL300000543422	0	35	-2.0	-116.66	337.47	0.10	-116.56
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NO1	REAL300000543423	0	32	-2.0	-118.13	321.59	-0.73	-118.86
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NO1	REAL300000543424	0	35	-2.0	-106.90	340.23	-0.22	-107.12
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NO1	REAL300000543425	0	31	-2.0	-115.22	314.14	-2.62	-117.84
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NOC(C)=C1S(N)(=O)=O	REAL300000543426	0	36	-2.0	-108.10	346.18	-0.95	-109.05
CC1=C(S(N)(=O)=O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NO1	REAL300000543427	0	29	-2.0	-104.26	318.12	-1.77	-106.03
CCC1=C(S(=O)(=O)[N-]C2=NOC(C)=C2S(N)(=O)=O)C=C(C(=O)[O-])O1	REAL300000543428	0	35	-2.0	-111.48	340.04	-0.76	-112.24
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1	REAL300000543429	0	38	-2.0	-95.98	352.42	6.45	-89.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC=C1F	REAL300000543430	0	31	-2.0	-111.69	300.50	7.89	-103.80
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=CN1C1CC1	REAL300000543431	0	39	-2.0	-114.10	355.59	8.96	-105.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1	REAL300000543432	0	31	-2.0	-101.44	295.94	7.87	-93.57
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543433	0	31	-2.0	-114.27	295.96	7.86	-106.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=CN1C1CC1	REAL300000543434	0	35	-2.0	-120.37	324.11	7.67	-112.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC=C1Br	REAL300000543435	0	31	-2.0	-109.69	312.21	8.35	-101.34
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1	REAL300000543436	0	35	-2.0	-101.87	327.41	9.16	-92.71
CC1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1C(=O)[O-]	REAL300000543437	0	34	-2.0	-115.32	311.98	8.39	-106.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1C	REAL300000543438	0	37	-2.0	-117.65	329.08	9.20	-108.45
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543439	0	31	-2.0	-111.95	301.45	7.92	-104.03
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1	REAL300000543440	0	37	-2.0	-101.39	339.54	9.45	-91.94
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543441	0	28	-2.0	-108.24	289.15	6.89	-101.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=CN1C1CC1	REAL300000543442	0	34	-2.0	-115.90	311.41	8.65	-107.25
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1	REAL300000543443	0	35	-2.0	-100.48	327.03	8.15	-92.33
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)[N-]C3=NN=CN3C3CC3)C=C2)C1	REAL300000543444	0	42	-2.0	-97.27	372.80	8.93	-88.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C(Br)S1	REAL300000543445	0	28	-2.0	-105.70	306.14	7.64	-98.06
CN1C=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1C(=O)[O-]	REAL300000543446	0	32	-2.0	-112.42	302.60	7.22	-105.20
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=CN1C1CC1	REAL300000543447	0	35	-2.0	-116.36	320.17	6.68	-109.68
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543448	0	31	-2.0	-104.11	305.07	7.55	-96.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1C(=O)[O-]	REAL300000543449	0	37	-2.0	-117.54	327.00	9.21	-108.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CS1	REAL300000543450	0	28	-2.0	-109.99	287.62	6.89	-103.10
COC1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC(C(=O)[O-])=C1OC	REAL300000543451	0	39	-2.0	-114.23	354.30	7.67	-106.56
COC1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1C(=O)[O-]	REAL300000543452	0	35	-2.0	-120.17	323.25	7.93	-112.24
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543453	0	41	-2.0	-119.59	351.21	10.50	-109.09
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=CN1C1CC1	REAL300000543454	0	40	-2.0	-118.25	349.87	9.87	-108.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=CN1C1CC1	REAL300000543455	0	37	-2.0	-114.51	326.09	9.59	-104.92
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=CN1C1CC1	REAL300000543456	0	38	-2.0	-120.34	346.40	8.43	-111.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC(C(=O)[O-])=C1	REAL300000543457	0	33	-3.0	-187.17	324.37	8.43	-178.74
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543458	0	38	-2.0	-119.94	340.21	9.75	-110.19
CC1=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C(C(=O)[O-])O1	REAL300000543459	0	31	-2.0	-108.13	298.98	7.01	-101.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC2=C1OCCO2	REAL300000543460	0	37	-2.0	-118.75	338.13	7.63	-111.12
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543461	0	35	-2.0	-114.65	324.95	6.95	-107.70
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NN=CN3C3CC3)C=C2C1	REAL300000543462	0	39	-2.0	-101.20	348.88	8.46	-92.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC(Cl)=C1Cl	REAL300000543463	0	31	-2.0	-103.62	323.64	8.71	-94.91
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1Cl	REAL300000543464	0	35	-2.0	-98.96	343.06	8.68	-90.28
CC1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC=C1OCC(=O)[O-]	REAL300000543465	0	38	-2.0	-100.88	347.12	8.85	-92.03
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1F	REAL300000543466	0	41	-2.0	-100.06	375.72	9.11	-90.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=CN1C1CC1	REAL300000543467	0	34	-2.0	-106.09	316.67	8.68	-97.41
CC1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC=C1OCCCC(=O)[O-]	REAL300000543468	0	44	-2.0	-101.44	389.57	9.78	-91.66
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1F	REAL300000543469	0	35	-2.0	-99.83	333.26	8.21	-91.62
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1C(=O)[O-]	REAL300000543470	0	38	-2.0	-120.70	345.10	8.84	-111.86
CC1=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C(C(=O)[O-])S1	REAL300000543471	0	31	-2.0	-112.04	304.60	7.75	-104.29
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543472	0	31	-2.0	-103.83	324.20	8.88	-94.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C(Cl)=C1	REAL300000543473	0	31	-2.0	-98.95	309.02	8.42	-90.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C(Br)=C1	REAL300000543474	0	31	-2.0	-98.43	312.37	8.58	-89.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1F	REAL300000543475	0	31	-2.0	-100.87	300.50	7.90	-92.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)S1	REAL300000543476	0	28	-2.0	-103.09	288.23	6.99	-96.10
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543477	0	31	-2.0	-104.88	302.37	7.93	-96.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1F	REAL300000543478	0	34	-2.0	-113.21	321.72	8.56	-104.65
COC1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C(Cl)C=C1C(=O)[O-]	REAL300000543479	0	35	-2.0	-103.34	336.27	8.48	-94.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C(F)=C1	REAL300000543480	0	31	-2.0	-100.74	301.43	7.93	-92.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1Cl	REAL300000543481	0	31	-2.0	-98.97	308.47	8.26	-90.71
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=CN1C1CC1	REAL300000543482	0	34	-2.0	-107.82	325.41	9.06	-98.76
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1	REAL300000543483	0	39	-2.0	-98.87	359.70	9.27	-89.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1Br	REAL300000543484	0	31	-2.0	-98.52	312.21	8.36	-90.16
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543485	0	33	-2.0	-99.00	324.15	8.53	-90.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543486	0	32	-2.0	-114.96	305.69	5.59	-109.37
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1	REAL300000543487	0	34	-2.0	-105.95	318.14	8.65	-97.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC(Cl)=C1F	REAL300000543488	0	31	-2.0	-104.49	316.67	8.39	-96.10
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN=CN1C1CC1	REAL300000543489	0	34	-2.0	-109.66	306.01	8.50	-101.16
CC1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC(C(=O)[O-])=C1F	REAL300000543490	0	34	-2.0	-112.85	320.80	8.51	-104.34
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN=CN1C1CC1	REAL300000543491	0	34	-2.0	-101.76	311.37	8.64	-93.12
CC1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC(C(=O)[O-])=C1C	REAL300000543492	0	37	-2.0	-117.13	328.87	8.93	-108.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC=C1[N+](=O)[O-]	REAL300000543493	0	33	-2.0	-112.21	322.52	8.96	-103.25
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543494	0	31	-2.0	-103.23	307.71	7.99	-95.24
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)S1	REAL300000543495	0	28	-2.0	-100.73	308.54	7.55	-93.18
CC1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C(C)=C1C(=O)[O-]	REAL300000543496	0	37	-2.0	-113.83	329.50	9.28	-104.55
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1C(=O)[O-]	REAL300000543497	0	34	-2.0	-114.19	321.28	8.56	-105.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1Cl	REAL300000543498	0	34	-2.0	-111.96	327.75	9.00	-102.96
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543499	0	34	-2.0	-117.95	321.01	8.55	-109.40
CCC1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1C(=O)[O-]	REAL300000543500	0	37	-2.0	-116.05	330.29	9.05	-107.00
COC1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1CC(=O)[O-]	REAL300000543501	0	38	-2.0	-115.82	346.43	7.99	-107.83
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN=CN1C1CC1	REAL300000543502	0	34	-2.0	-102.86	322.23	9.05	-93.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1C(F)(F)F	REAL300000543503	0	34	-2.0	-98.00	326.09	8.67	-89.33
CC1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC(C(=O)[O-])=C1Cl	REAL300000543504	0	34	-2.0	-111.64	327.19	8.82	-102.82
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543505	0	31	-2.0	-106.72	317.26	8.47	-98.25
CCN1C=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1C(=O)[O-]	REAL300000543506	0	35	-2.0	-113.66	323.99	8.08	-105.58
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C(C)=C1CC(=O)[O-]	REAL300000543507	0	43	-2.0	-113.78	361.11	10.74	-103.04
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C(F)C(Cl)=C1F	REAL300000543508	0	31	-2.0	-101.92	321.56	8.42	-93.50
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C(OC(F)(F)F)=C1	REAL300000543509	0	35	-2.0	-100.48	340.67	8.16	-92.32
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1C(=O)[O-]	REAL300000543510	0	34	-2.0	-107.35	325.83	8.83	-98.52
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1C(=O)[O-]	REAL300000543511	0	35	-2.0	-115.93	336.29	8.49	-107.44
CC1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC=C1C(=O)[O-]	REAL300000543512	0	34	-2.0	-101.56	311.97	8.40	-93.16
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C([N+](=O)[O-])=C1	REAL300000543513	0	36	-2.0	-106.84	339.22	10.07	-96.77
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=CN1C1CC1	REAL300000543514	0	34	-2.0	-113.21	315.92	8.68	-104.53
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1[N+](=O)[O-]	REAL300000543515	0	33	-2.0	-120.53	319.69	9.72	-110.81
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1F	REAL300000543516	0	31	-2.0	-117.39	299.60	7.89	-109.50
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C1C(=O)[O-]	REAL300000543517	0	34	-2.0	-105.68	317.13	8.43	-97.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC2=CC=CC=C21	REAL300000543518	0	37	-2.0	-122.26	337.01	9.99	-112.27
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543519	0	30	-2.0	-111.71	292.18	5.98	-105.73
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN=CN1C1CC1	REAL300000543520	0	35	-2.0	-105.77	324.17	7.67	-98.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C(Cl)O1	REAL300000543521	0	28	-2.0	-101.70	296.07	6.83	-94.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=CC=C1OC(F)(F)F	REAL300000543522	0	35	-2.0	-109.42	339.75	8.41	-101.01
CS(=O)(=O)C1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN=CN2C2CC2)=C1	REAL300000543523	0	34	-2.0	-104.52	339.29	4.90	-99.62
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NN=CN3C3CC3)C=C2)CC1	REAL300000543524	0	38	-2.0	-108.68	342.09	9.75	-98.93
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NN=CN3C3CC3)C=C2C1	REAL300000543525	0	38	-2.0	-110.13	340.05	9.73	-100.40
CCC1=C(S(=O)(=O)[N-]C2=NN=CN2C2CC2)C=C(C(=O)[O-])O1	REAL300000543526	0	34	-2.0	-108.08	318.09	7.85	-100.23
CN1C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=NN=C1C1CC1	REAL300000543527	0	41	-2.0	-97.73	374.59	6.35	-91.38
CN1C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN=C1C1CC1	REAL300000543528	0	34	-2.0	-113.57	322.67	7.80	-105.77
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C(C2CC2)N1C	REAL300000543529	0	42	-2.0	-115.99	377.74	8.89	-107.10
CN1C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN=C1C1CC1	REAL300000543530	0	34	-2.0	-103.27	318.12	7.77	-95.50
CN1C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN=C1C1CC1	REAL300000543531	0	34	-2.0	-116.03	318.13	7.76	-108.27
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C(C2CC2)N1C	REAL300000543532	0	38	-2.0	-122.49	346.26	7.58	-114.91
CN1C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN=C1C1CC1	REAL300000543533	0	38	-2.0	-103.70	349.58	9.06	-94.64
CC1=CC=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C1C(=O)[O-]	REAL300000543534	0	37	-2.0	-117.29	334.15	8.30	-108.99
CN1C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NN=C1C1CC1	REAL300000543535	0	34	-2.0	-112.40	331.20	8.34	-104.06
CN1C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=NN=C1C1CC1	REAL300000543536	0	34	-2.0	-111.88	330.65	8.16	-103.72
CN1C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=NN=C1C1CC1	REAL300000543537	0	34	-2.0	-107.77	343.70	8.71	-99.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)=C1C	REAL300000543538	0	40	-2.0	-119.92	350.79	9.13	-110.79
CN1C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN=C1C1CC1	REAL300000543539	0	34	-2.0	-113.88	323.61	7.83	-106.05
CN1C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN=C1C1CC1	REAL300000543540	0	40	-2.0	-102.82	361.71	9.36	-93.46
CN1C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN=C1C1CC1	REAL300000543541	0	31	-2.0	-109.92	311.32	6.79	-103.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C(C2CC2)N1C	REAL300000543542	0	37	-2.0	-117.91	333.56	8.55	-109.36
CN1C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=NN=C1C1CC1	REAL300000543543	0	38	-2.0	-102.25	349.20	8.05	-94.20
CN1C=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C1C(=O)[O-]	REAL300000543544	0	35	-2.0	-114.20	324.78	7.12	-107.08
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C(C2CC2)N1C	REAL300000543545	0	38	-2.0	-118.49	341.92	6.61	-111.88
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)=C1	REAL300000543546	0	34	-2.0	-105.94	327.24	7.45	-98.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C1C(=O)[O-]	REAL300000543547	0	40	-2.0	-119.12	349.59	9.08	-110.04
CN1C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN=C1C1CC1	REAL300000543548	0	31	-2.0	-111.73	309.79	6.79	-104.94
COC1=CC(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)=CC(C(=O)[O-])=C1OC	REAL300000543549	0	42	-2.0	-115.77	376.44	7.57	-108.20
COC1=CC=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C1C(=O)[O-]	REAL300000543550	0	38	-2.0	-121.80	345.42	7.83	-113.97
CN1C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=NN=C1C1CC1	REAL300000543551	0	44	-2.0	-121.64	373.37	10.40	-111.24
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C(C2CC2)N1C	REAL300000543552	0	43	-2.0	-120.36	372.03	9.77	-110.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C(C2CC2)N1C	REAL300000543553	0	40	-2.0	-116.62	348.26	9.50	-107.12
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C(C2CC2)N1C	REAL300000543554	0	41	-2.0	-122.92	368.55	8.35	-114.57
CN1C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=NN=C1C1CC1	REAL300000543555	0	36	-3.0	-188.84	346.54	8.33	-180.51
CN1C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=NN=C1C1CC1	REAL300000543556	0	41	-2.0	-121.96	362.36	9.65	-112.31
CC1=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C(C(=O)[O-])O1	REAL300000543557	0	34	-2.0	-109.98	321.14	6.91	-103.07
CN1C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=NN=C1C1CC1	REAL300000543558	0	40	-2.0	-120.51	360.31	7.54	-112.97
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)=C1	REAL300000543559	0	38	-2.0	-115.78	347.05	6.87	-108.91
CN1C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=NN=C1C1CC1	REAL300000543560	0	42	-2.0	-103.65	371.77	8.38	-95.27
CN1C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=NN=C1C1CC1	REAL300000543561	0	34	-2.0	-105.33	345.81	8.62	-96.71
CN1C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=NN=C1C1CC1	REAL300000543562	0	34	-2.0	-108.93	335.72	8.36	-100.57
CN1C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=NN=C1C1CC1	REAL300000543563	0	38	-2.0	-100.75	365.24	8.59	-92.16
CC1=CC(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)=CC=C1OCC(=O)[O-]	REAL300000543564	0	41	-2.0	-102.64	369.28	8.76	-93.88
CN1C([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=NN=C1C1CC1	REAL300000543565	0	44	-2.0	-101.92	397.88	9.02	-92.90
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C(C2CC2)N1C	REAL300000543566	0	37	-2.0	-108.01	338.84	8.58	-99.43
CC1=CC(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)=CC=C1OCCCC(=O)[O-]	REAL300000543567	0	47	-2.0	-103.27	411.74	9.69	-93.58
CN1C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=NN=C1C1CC1	REAL300000543568	0	38	-2.0	-101.62	355.43	8.11	-93.51
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C1C(=O)[O-]	REAL300000543569	0	41	-2.0	-122.50	367.27	8.74	-113.76
CC1=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C(C(=O)[O-])S1	REAL300000543570	0	34	-2.0	-113.80	327.81	7.65	-106.15
CN1C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=NN=C1C1CC1	REAL300000543571	0	34	-2.0	-105.75	346.35	8.78	-96.97
CN1C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NN=C1C1CC1	REAL300000543572	0	34	-2.0	-100.80	331.18	8.33	-92.47
CN1C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN=C1C1CC1	REAL300000543573	0	34	-2.0	-102.60	322.67	7.81	-94.79
CN1C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN=C1C1CC1	REAL300000543574	0	31	-2.0	-104.84	310.39	6.89	-97.95
CN1C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN=C1C1CC1	REAL300000543575	0	34	-2.0	-106.80	324.55	7.83	-98.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)=C1F	REAL300000543576	0	37	-2.0	-115.13	343.89	8.47	-106.66
COC1=CC(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)=C(Cl)C=C1C(=O)[O-]	REAL300000543577	0	38	-2.0	-105.13	358.43	8.38	-96.75
CN1C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN=C1C1CC1	REAL300000543578	0	34	-2.0	-102.49	323.60	7.84	-94.65
CN1C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NN=C1C1CC1	REAL300000543579	0	34	-2.0	-100.78	330.63	8.17	-92.61
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C(C2CC2)N1C	REAL300000543580	0	37	-2.0	-109.74	347.57	8.97	-100.77
CN1C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=NN=C1C1CC1	REAL300000543581	0	42	-2.0	-100.70	381.88	9.18	-91.52
CN1C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=NN=C1C1CC1	REAL300000543582	0	34	-2.0	-104.69	328.95	7.86	-96.83
CN1C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=NN=C1C1CC1	REAL300000543583	0	36	-2.0	-100.71	346.32	8.43	-92.28
CN1C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN=C1C1CC1	REAL300000543584	0	35	-2.0	-117.19	327.85	5.47	-111.72
CN1C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN=C1C1CC1	REAL300000543585	0	37	-2.0	-106.93	340.31	8.55	-98.38
CN1C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=NN=C1C1CC1	REAL300000543586	0	34	-2.0	-106.17	338.84	8.30	-97.87
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN=C(C2CC2)N1C	REAL300000543587	0	37	-2.0	-111.43	328.20	8.40	-103.03
CC1=CC(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)=CC(C(=O)[O-])=C1F	REAL300000543588	0	37	-2.0	-114.62	342.97	8.42	-106.20
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN=C(C2CC2)N1C	REAL300000543589	0	37	-2.0	-103.58	333.54	8.54	-95.04
CC1=CC(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)=CC(C(=O)[O-])=C1C	REAL300000543590	0	40	-2.0	-119.02	351.01	8.83	-110.19
CN1C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=NN=C1C1CC1	REAL300000543591	0	36	-2.0	-114.10	344.68	8.86	-105.24
CN1C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NN=C1C1CC1	REAL300000543592	0	34	-2.0	-105.08	329.89	7.89	-97.19
CC1=CC=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C(C)=C1C(=O)[O-]	REAL300000543593	0	40	-2.0	-115.78	351.52	9.19	-106.59
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C1C(=O)[O-]	REAL300000543594	0	37	-2.0	-116.10	343.44	8.46	-107.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)=C1Cl	REAL300000543595	0	37	-2.0	-114.01	349.89	8.90	-105.11
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)=C1	REAL300000543596	0	37	-2.0	-119.74	343.17	8.46	-111.28
CCC1=CC=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C1C(=O)[O-]	REAL300000543597	0	40	-2.0	-118.03	352.09	8.95	-109.08
COC1=CC=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C1CC(=O)[O-]	REAL300000543598	0	41	-2.0	-117.38	368.60	7.90	-109.48
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN=C(C2CC2)N1C	REAL300000543599	0	37	-2.0	-104.67	344.39	8.96	-95.71
CN1C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=NN=C1C1CC1	REAL300000543600	0	37	-2.0	-99.79	348.25	8.57	-91.22
CC1=CC(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)=CC(C(=O)[O-])=C1Cl	REAL300000543601	0	37	-2.0	-113.38	349.36	8.72	-104.66
CCN1C=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C1C(=O)[O-]	REAL300000543602	0	38	-2.0	-115.35	346.15	7.99	-107.36
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C(C)=C1CC(=O)[O-]	REAL300000543603	0	46	-2.0	-115.63	383.28	10.64	-104.99
CN1C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=NN=C1C1CC1	REAL300000543604	0	34	-2.0	-103.71	343.74	8.32	-95.39
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C1C(=O)[O-]	REAL300000543605	0	37	-2.0	-110.31	351.90	8.83	-101.48
CN1C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=NN=C1C1CC1	REAL300000543606	0	43	-2.0	-113.76	367.55	9.78	-103.98
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C1C(=O)[O-]	REAL300000543607	0	38	-2.0	-117.87	358.45	8.39	-109.48
CC1=CC(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)=CC=C1C(=O)[O-]	REAL300000543608	0	37	-2.0	-103.25	334.14	8.31	-94.94
CN1C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=NN=C1C1CC1	REAL300000543609	0	39	-2.0	-108.61	358.85	9.96	-98.65
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN=C(C2CC2)N1C	REAL300000543610	0	37	-2.0	-115.47	337.67	8.61	-106.86
CN1C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=NN=C1C1CC1	REAL300000543611	0	36	-2.0	-122.46	341.87	9.63	-112.83
CN1C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN=C1C1CC1	REAL300000543612	0	34	-2.0	-119.14	321.79	7.80	-111.34
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C1C(=O)[O-]	REAL300000543613	0	37	-2.0	-108.44	343.08	8.44	-100.00
CN1C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=NN=C1C1CC1	REAL300000543614	0	40	-2.0	-124.15	359.17	9.88	-114.27
CN1C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN=C1C1CC1	REAL300000543615	0	33	-2.0	-114.07	315.12	5.83	-108.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN=C(C2CC2)N1C	REAL300000543616	0	38	-2.0	-107.64	346.33	7.57	-100.07
CN1C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN=C1C1CC1	REAL300000543617	0	31	-2.0	-103.36	318.27	6.74	-96.62
CN1C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=NN=C1C1CC1	REAL300000543618	0	41	-2.0	-110.62	364.26	9.65	-100.97
CN1C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=NN=C1C1CC1	REAL300000543619	0	41	-2.0	-105.00	363.21	9.66	-95.34
CCC1=C(S(=O)(=O)[N-]C2=NN=C(C3CC3)N2C)C=C(C(=O)[O-])O1	REAL300000543620	0	37	-2.0	-109.96	340.24	7.77	-102.19
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCC3)=C1	REAL300000543630	1	33	-2.0	-101.42	328.58	5.21	-96.21
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCC3)=C1	REAL300000543635	1	36	-2.0	-97.53	344.53	5.86	-91.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCC3)S1	REAL300000543645	1	33	-2.0	-96.37	327.65	5.31	-91.06
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(C=C2Cl)OCCC3)=C1	REAL300000543649	0	37	-2.0	-105.48	342.67	4.73	-100.75
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCC3)=C1	REAL300000543664	1	35	-2.0	-104.69	331.62	4.30	-100.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCC3)=C(Cl)O1	REAL300000543666	1	33	-2.0	-94.97	335.50	5.15	-89.82
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2C=C1	REAL300000543668	1	37	-2.0	-108.19	343.40	3.92	-104.27
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C2C=C1	REAL300000543669	1	37	-2.0	-98.38	338.85	3.90	-94.48
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2C=C1	REAL300000543670	1	37	-2.0	-110.67	338.86	3.89	-106.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CC(OC)=NC2=C1	REAL300000543671	0	41	-2.0	-114.99	367.00	3.70	-111.29
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C2C=C1	REAL300000543672	1	41	-2.0	-97.69	370.32	5.19	-92.50
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=CC=C2C=C1	REAL300000543673	1	40	-2.0	-111.83	354.88	4.42	-107.41
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C2C=C1	REAL300000543674	0	37	-2.0	-105.30	351.93	4.46	-100.84
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C2C=C1	REAL300000543675	1	37	-2.0	-106.47	351.38	4.28	-102.19
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=CC=C2C=C1	REAL300000543676	1	43	-2.0	-112.39	371.54	5.24	-107.15
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2C=C1	REAL300000543677	0	37	-2.0	-107.10	344.34	3.95	-103.15
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C2C=C1	REAL300000543678	1	43	-2.0	-97.24	382.44	5.48	-91.76
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2C=C1	REAL300000543679	0	34	-2.0	-105.03	332.04	2.91	-102.12
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=CC=C2C=C1	REAL300000543680	1	40	-2.0	-110.38	354.29	4.68	-105.70
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=CC=C2C=C1	REAL300000543681	1	41	-2.0	-96.38	369.94	4.17	-92.21
COC1=NC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C2C=C1	REAL300000543682	0	38	-2.0	-109.09	345.51	3.24	-105.85
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=CC=C2C=C1	REAL300000543684	0	37	-2.0	-101.24	347.98	3.58	-97.66
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=CC=C2C=C1	REAL300000543685	1	43	-2.0	-111.88	369.93	5.24	-106.64
COC1=NC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2C=C1	REAL300000543686	0	34	-2.0	-106.50	330.51	2.94	-103.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CC(OC)=NC3=C2)C=C1C(=O)[O-]	REAL300000543687	1	41	-2.0	-116.53	366.15	3.96	-112.57
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=NC(OC)=CC=C2C=C1	REAL300000543688	1	43	-2.0	-108.30	369.01	5.62	-102.68
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C2C=C1	REAL300000543689	1	44	-2.0	-114.46	383.11	5.80	-108.66
COC1=NC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C2C=C1	REAL300000543690	0	37	-2.0	-103.86	341.87	3.04	-100.82
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)=CC=C2C=C1	REAL300000543691	0	41	-2.0	-112.07	367.85	2.98	-109.09
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=CC=C2C=C1	REAL300000543692	1	40	-2.0	-101.24	359.58	4.71	-96.53
COC1=NC2=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=CC=C2C=C1	REAL300000543693	0	37	-2.0	-106.99	347.46	3.80	-103.19
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C2C=C1	REAL300000543694	0	37	-2.0	-95.91	351.91	4.45	-91.46
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2C=C1	REAL300000543695	1	37	-2.0	-98.00	343.39	3.93	-94.07
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2C=C1	REAL300000543696	0	34	-2.0	-100.10	331.13	3.02	-97.08
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2C=C1	REAL300000543697	1	37	-2.0	-101.63	345.26	3.96	-97.67
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=CC=C2C=C1	REAL300000543698	0	40	-2.0	-108.52	364.62	4.59	-103.93
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2C=C1	REAL300000543699	0	37	-2.0	-98.00	344.32	3.96	-94.04
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C2C=C1	REAL300000543700	1	37	-2.0	-95.97	351.36	4.29	-91.68
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C2C=C1	REAL300000543701	1	37	-2.0	-99.83	349.68	3.98	-95.85
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2C=C1	REAL300000543702	0	38	-2.0	-108.77	348.57	1.59	-107.18
COC1=NC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C2C=C1	REAL300000543702	1	38	-2.0	-106.43	337.61	2.48	-103.95
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2C=C1	REAL300000543703	1	40	-2.0	-103.54	361.04	4.68	-98.86
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=CC=C2C=C1	REAL300000543704	1	40	-2.0	-107.83	348.93	4.53	-103.30
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=CC=C2C=C1	REAL300000543705	1	40	-2.0	-109.59	363.69	4.54	-105.05
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=CC=C2C=C1	REAL300000543706	1	40	-2.0	-98.35	354.27	4.67	-93.68
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=CC=C2C=C1	REAL300000543707	1	43	-2.0	-115.26	375.66	5.06	-110.20
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C2C=C1	REAL300000543708	0	37	-2.0	-99.09	350.62	4.02	-95.07
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=CC=C2C=C1	REAL300000543709	1	43	-2.0	-112.07	373.34	5.29	-106.78
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=CC=C2C=C1	REAL300000543710	0	40	-2.0	-109.45	364.18	4.59	-104.86
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)=CC=C2C=C1	REAL300000543711	0	40	-2.0	-116.81	363.87	4.58	-112.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=NC(OC)=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000543712	1	43	-2.0	-112.55	373.10	5.08	-107.47
CCN1C=C(S(=O)(=O)[N-]C2=CC3=NC(OC)=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000543713	0	41	-2.0	-110.37	366.87	4.12	-106.25
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=CC=C2C=C1	REAL300000543714	1	40	-2.0	-98.52	354.87	4.43	-94.09
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=CC=C2C=C1	REAL300000543715	1	40	-2.0	-108.10	358.40	4.73	-103.37
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2C=C1	REAL300000543716	0	37	-2.0	-116.02	342.52	3.93	-112.09
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=CC=C2C=C1	REAL300000543717	1	40	-2.0	-103.49	363.80	4.57	-98.92
COC1=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2C=C1	REAL300000543718	0	36	-2.0	-108.47	335.08	2.02	-106.45
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=CC(OC)=NC2=C1	REAL300000543719	0	41	-2.0	-102.46	367.06	3.69	-98.77
COC1=NC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2C=C1	REAL300000543720	0	34	-2.0	-98.12	339.02	2.88	-95.24
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C2C=C1	REAL300000543721	1	44	-2.0	-104.33	384.98	5.78	-98.55
COC1=NC2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C2C=C1	REAL300000543722	1	44	-2.0	-109.60	384.30	5.78	-103.82
CCC1=C(S(=O)(=O)[N-]C2=CC3=NC(OC)=CC=C3C=C2)C=C(C(=O)[O-])O1	REAL300000543723	0	40	-2.0	-103.40	360.99	3.90	-99.50
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)CCC1	REAL300000543725	1	44	-2.0	-108.85	380.46	8.07	-100.78
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)CCC1	REAL300000543726	0	41	-2.0	-103.04	373.65	7.09	-95.95
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)CCC1	REAL300000543727	1	45	-2.0	-106.59	387.08	7.43	-99.16
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)CCC1	REAL300000543728	0	41	-2.0	-103.80	372.08	7.11	-96.69
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)CCC1	REAL300000543729	0	44	-2.0	-102.14	383.44	7.22	-94.92
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)CCC1	REAL300000543730	0	41	-2.0	-97.76	372.70	7.19	-90.57
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)CCC1	REAL300000543731	0	43	-2.0	-106.39	376.65	6.20	-100.19
CC1=C(Br)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000543733	1	34	-2.0	-103.82	321.34	6.84	-96.98
CC1=C(Br)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1C	REAL300000543735	0	31	-2.0	-98.29	313.85	5.84	-92.45
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Br)C(C)=C1C	REAL300000543736	1	37	-2.0	-105.25	336.11	7.61	-97.64
CC1=C(Br)C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1C	REAL300000543737	1	35	-2.0	-102.18	328.02	6.19	-95.99
CC1=C(Br)C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1C	REAL300000543738	0	31	-2.0	-99.66	312.32	5.86	-93.80
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C(C)=C2C)C=C(C(=O)[O-])O1	REAL300000543739	0	34	-2.0	-98.22	323.68	5.96	-92.26
CC1=C(Br)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1C	REAL300000543740	0	31	-2.0	-93.18	312.92	5.96	-87.22
CC1=C(Br)C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300000543741	1	37	-2.0	-95.26	343.55	7.63	-87.63
CC1=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Br	REAL300000543742	1	37	-2.0	-99.56	330.71	7.46	-92.10
CC1=C(Br)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300000543745	0	33	-2.0	-101.50	318.34	4.91	-96.59
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000543746	1	43	-2.0	-100.78	382.50	4.73	-96.05
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000543747	1	36	-2.0	-118.20	330.59	6.17	-112.03
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)=O)=CC=C1C	REAL300000543748	0	44	-2.0	-120.51	387.95	7.33	-113.18
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000543749	1	36	-2.0	-107.79	326.04	6.15	-101.64
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000543750	1	36	-2.0	-121.40	326.05	6.14	-115.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)=O)=CC=C1C	REAL300000543751	0	40	-2.0	-128.64	354.96	5.95	-122.69
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000543752	1	40	-2.0	-107.10	357.50	7.43	-99.67
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000543753	1	39	-2.0	-122.86	342.84	6.69	-116.17
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000543754	0	36	-2.0	-117.61	339.12	6.71	-110.90
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000543755	1	36	-2.0	-117.12	340.84	6.63	-110.49
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000543756	1	42	-2.0	-126.05	359.49	7.52	-118.53
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000543757	0	36	-2.0	-120.19	333.79	6.31	-113.88
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000543758	1	42	-2.0	-106.71	369.61	7.73	-98.98
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000543759	0	33	-2.0	-115.49	320.01	5.18	-110.31
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000543760	1	39	-2.0	-123.74	342.25	6.96	-116.78
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000543762	0	37	-2.0	-119.73	334.97	5.59	-114.14
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000543764	0	36	-2.0	-111.32	335.93	5.85	-105.47
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000543766	0	33	-2.0	-116.99	319.98	5.27	-111.72
COC1=CC(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000543767	1	44	-2.0	-121.43	384.37	5.95	-115.48
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000543769	1	46	-2.0	-127.87	381.28	8.78	-119.09
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000543770	1	45	-2.0	-126.17	380.72	8.19	-117.98
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)=O)=CC=C1C	REAL300000543771	1	42	-2.0	-121.71	355.48	7.85	-113.86
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)=O)=CC=C1C	REAL300000543772	0	43	-2.0	-128.10	377.25	6.72	-121.38
CC(=O)C1=CC=C(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000543773	0	39	-2.0	-118.47	352.98	6.64	-111.83
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000543773	1	38	-3.0	-198.43	354.45	6.70	-191.73
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000543774	1	43	-2.0	-128.43	371.07	8.05	-120.38
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000543775	0	36	-2.0	-115.73	331.34	5.37	-110.36
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000543776	1	42	-2.0	-126.05	368.22	5.91	-120.14
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000543777	0	40	-2.0	-121.09	357.24	5.34	-115.75
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000543779	0	36	-2.0	-113.68	343.64	6.74	-106.94
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000543780	1	40	-2.0	-103.95	373.16	6.97	-96.98
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000543782	1	39	-2.0	-113.46	347.53	6.98	-106.48
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000543783	1	40	-2.0	-104.82	363.35	6.49	-98.33
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000543785	1	36	-2.0	-119.58	338.02	6.14	-113.44
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000543786	0	36	-2.0	-105.02	339.87	6.73	-98.29
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000543787	1	36	-2.0	-107.17	332.85	6.27	-100.90
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000543788	0	33	-2.0	-110.09	320.59	5.36	-104.73
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000543789	1	36	-2.0	-111.91	333.24	6.22	-105.69
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000543790	0	39	-2.0	-121.36	351.79	6.84	-114.52
COC1=CC(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000543791	0	40	-2.0	-109.65	368.63	6.86	-102.79
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000543792	0	36	-2.0	-107.54	333.78	6.32	-101.22
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000543793	1	36	-2.0	-105.44	340.82	6.64	-98.80
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000543794	1	39	-2.0	-115.50	357.77	7.46	-108.04
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000543795	1	44	-2.0	-103.68	390.56	7.57	-96.11
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000543796	1	36	-2.0	-109.47	337.64	6.25	-103.22
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000543797	0	38	-2.0	-105.65	355.02	6.83	-98.82
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000543798	0	37	-2.0	-123.19	338.04	3.95	-119.24
CC(=O)C1=CC=C(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000543798	1	37	-2.0	-112.75	332.16	4.82	-107.93
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000543799	1	39	-2.0	-112.78	349.00	6.94	-105.84
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000543800	1	36	-2.0	-111.19	349.03	6.77	-104.42
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000543801	1	39	-2.0	-116.43	338.36	6.88	-109.55
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000543802	1	39	-2.0	-119.75	351.65	6.81	-112.94
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000543804	1	42	-2.0	-125.12	361.79	7.32	-117.80
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000543805	0	38	-2.0	-118.29	352.62	7.23	-111.06
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000543806	0	36	-2.0	-110.67	337.78	6.26	-104.41
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000543808	0	39	-2.0	-122.51	352.14	6.86	-115.65
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000543809	0	39	-2.0	-119.55	357.83	7.28	-112.27
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000543810	0	39	-2.0	-125.49	353.37	6.94	-118.55
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2C)C=C1C(=O)[O-]	REAL300000543811	1	42	-2.0	-123.72	361.14	7.35	-116.37
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000543813	1	39	-2.0	-109.46	352.31	7.33	-102.13
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000543814	1	39	-2.0	-119.04	359.55	7.19	-111.85
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2C)C=C1C(=O)[O-]	REAL300000543815	0	40	-2.0	-120.76	353.99	6.35	-114.41
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000543817	1	39	-2.0	-114.88	358.19	7.20	-107.68
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000543818	0	45	-2.0	-118.60	377.76	8.38	-110.22
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2C)C=C1C(=O)[O-]	REAL300000543819	0	40	-2.0	-123.46	368.65	6.86	-116.60
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000543820	1	39	-2.0	-108.37	344.33	6.78	-101.59
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000543821	0	41	-2.0	-113.02	370.08	8.35	-104.67
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000543823	0	38	-2.0	-127.40	352.05	8.10	-119.30
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000543824	0	36	-2.0	-124.58	331.98	6.28	-118.30
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000543825	1	39	-2.0	-112.93	347.98	6.73	-106.20
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000543826	1	42	-2.0	-130.11	367.86	8.28	-121.83
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000543827	0	35	-2.0	-120.23	323.02	4.21	-116.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(C)=O)=CC=C1C	REAL300000543828	0	40	-2.0	-112.60	355.02	5.97	-106.63
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000543829	0	33	-2.0	-108.82	326.93	5.13	-103.69
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000543830	1	43	-2.0	-115.51	372.94	8.05	-107.46
CC(=O)C1=CC=C(C)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000543831	1	43	-2.0	-116.75	370.14	8.01	-108.74
CCC1=C(S(=O)(=O)[N-]C2=CC(C(C)=O)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000543832	0	39	-2.0	-115.69	350.44	6.24	-109.45
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000543833	0	32	-2.0	-116.94	337.70	5.60	-111.34
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000543834	0	32	-2.0	-106.55	333.14	5.58	-100.97
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000543835	0	32	-2.0	-118.04	333.17	5.57	-112.47
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000543836	0	35	-2.0	-120.47	349.18	6.10	-114.37
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000543837	0	32	-2.0	-115.11	338.61	5.63	-109.48
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000543838	0	29	-2.0	-112.85	326.34	4.59	-108.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1C#N	REAL300000543839	0	35	-2.0	-118.25	348.60	6.35	-111.90
CN1C=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000543840	0	33	-2.0	-116.80	339.80	4.91	-111.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2C#N)=C1	REAL300000543841	0	32	-2.0	-109.75	342.26	5.25	-104.50
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000543842	0	29	-2.0	-115.12	324.82	4.59	-110.53
CC1=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000543843	0	32	-2.0	-112.13	336.17	4.71	-107.42
CC1=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2C#N)C=C(C(=O)[O-])S1	REAL300000543844	0	32	-2.0	-114.88	342.83	5.45	-109.43
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000543845	0	32	-2.0	-105.96	337.69	5.61	-100.35
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000543846	0	29	-2.0	-108.58	325.42	4.70	-103.88
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000543847	0	32	-2.0	-110.27	339.56	5.63	-104.64
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000543848	0	32	-2.0	-106.15	338.63	5.64	-100.51
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000543849	0	32	-3.0	-215.11	339.29	4.18	-210.93
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000543849	1	33	-2.0	-117.01	342.88	3.30	-113.71
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000543850	0	35	-2.0	-109.48	355.35	6.35	-103.13
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1C#N	REAL300000543851	0	35	-2.0	-116.00	343.24	6.20	-109.80
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(F)(F)F)C=C1C#N	REAL300000543852	0	35	-2.0	-106.60	348.60	6.34	-100.26
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000543853	0	36	-2.0	-119.08	361.18	5.79	-113.29
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2C#N)=CC=C1C(=O)[O-]	REAL300000543854	0	35	-2.0	-106.67	349.17	6.11	-100.56
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000543855	0	32	-2.0	-123.99	336.81	5.60	-118.39
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000543856	0	31	-2.0	-115.02	330.14	3.63	-111.39
N#CC1=CN(CC(F)(F)F)N=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000543857	0	29	-2.0	-106.58	333.27	4.53	-102.05
CCC1=C(S(=O)(=O)[N-]C2=NN(CC(F)(F)F)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000543858	0	35	-2.0	-111.91	355.27	5.57	-106.34
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2C1=O	REAL300000543859	0	36	-2.0	-121.55	333.78	4.93	-116.62
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2C1=O	REAL300000543860	0	36	-2.0	-111.40	329.23	4.91	-106.49
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2C1=O	REAL300000543861	0	36	-2.0	-124.55	329.24	4.90	-119.65
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)N(C)C2	REAL300000543862	0	40	-2.0	-128.11	357.38	4.70	-123.41
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2C1=O	REAL300000543863	0	40	-2.0	-109.54	360.70	6.20	-103.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)C=C1C(=O)[O-]	REAL300000543864	0	39	-2.0	-125.97	345.26	5.43	-120.54
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C2C1=O	REAL300000543865	0	36	-2.0	-117.73	342.31	5.47	-112.26
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2C1=O	REAL300000543866	0	36	-2.0	-120.05	341.75	5.29	-114.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)=C1C	REAL300000543867	0	42	-2.0	-124.78	362.34	6.23	-118.55
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2C1=O	REAL300000543868	0	36	-2.0	-120.61	334.71	4.96	-115.65
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2C1=O	REAL300000543869	0	42	-2.0	-108.64	372.82	6.49	-102.15
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2C1=O	REAL300000543870	0	33	-2.0	-118.64	322.43	3.92	-114.72
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)N(C)C2	REAL300000543871	0	39	-2.0	-122.76	344.67	5.68	-117.08
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2C1=O	REAL300000543872	0	40	-2.0	-108.35	360.32	5.19	-103.16
CN1C=C(S(=O)(=O)[N-]C2=C3C(=O)N(C)CC3=CC=C2)C=C1C(=O)[O-]	REAL300000543873	0	37	-2.0	-122.96	335.89	4.25	-118.71
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)N(C)C2	REAL300000543874	0	40	-2.0	-122.60	353.44	3.71	-118.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)=C1	REAL300000543875	0	36	-2.0	-114.90	338.35	4.59	-110.31
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)C=C1C(=O)[O-]	REAL300000543876	0	42	-2.0	-124.16	360.69	6.22	-117.94
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2C1=O	REAL300000543877	0	33	-2.0	-120.04	320.88	3.93	-116.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)C=C1C(=O)[O-]	REAL300000543878	0	40	-2.0	-130.38	356.54	4.97	-125.41
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)N(C)C2	REAL300000543879	0	45	-2.0	-124.86	383.15	6.91	-117.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)N(C)C2	REAL300000543880	0	42	-2.0	-118.97	357.64	6.60	-112.37
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)N(C)C2	REAL300000543881	0	43	-2.0	-130.63	379.67	5.47	-125.16
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=C2C1=O	REAL300000543882	0	38	-3.0	-204.71	357.64	5.47	-199.24
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C2C1=O	REAL300000543883	0	43	-2.0	-127.75	373.48	6.79	-120.96
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)C=C(C(=O)[O-])O1	REAL300000543884	0	36	-2.0	-116.53	332.25	4.05	-112.48
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)=C1	REAL300000543885	0	40	-2.0	-125.94	358.20	3.99	-121.95
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=C2C1=O	REAL300000543886	0	36	-2.0	-114.07	346.83	5.48	-108.59
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)=CC=C1OCC(=O)[O-]	REAL300000543887	0	43	-2.0	-109.00	380.40	5.89	-103.11
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)N(C)C2	REAL300000543888	0	39	-2.0	-113.54	349.95	5.72	-107.82
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=C2C1=O	REAL300000543889	0	40	-2.0	-107.57	366.54	5.25	-102.32
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)C=C1C(=O)[O-]	REAL300000543890	0	43	-2.0	-131.17	378.39	5.88	-125.29
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)C=C(C(=O)[O-])S1	REAL300000543891	0	36	-2.0	-119.27	338.93	4.79	-114.48
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2C1=O	REAL300000543892	0	36	-2.0	-108.37	342.28	5.46	-102.91
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2C1=O	REAL300000543893	0	36	-2.0	-110.65	333.76	4.94	-105.71
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2C1=O	REAL300000543894	0	33	-2.0	-113.46	321.50	4.03	-109.43
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2C1=O	REAL300000543895	0	36	-2.0	-115.14	335.66	4.97	-110.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)=C1F	REAL300000543896	0	39	-2.0	-122.27	354.99	5.60	-116.67
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2C1=O	REAL300000543897	0	36	-2.0	-111.48	334.70	4.97	-106.51
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2C1=O	REAL300000543898	0	36	-2.0	-108.84	341.73	5.30	-103.54
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)N(C)C2	REAL300000543899	0	39	-2.0	-115.17	358.68	6.10	-109.07
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C2C1=O	REAL300000543900	0	36	-2.0	-112.84	340.05	4.99	-107.85
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=C2C1=O	REAL300000543901	0	38	-2.0	-109.04	357.43	5.57	-103.47
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2C1=O	REAL300000543902	0	37	-2.0	-120.62	338.95	2.61	-118.01
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2C1=O	REAL300000543903	0	39	-2.0	-113.83	351.42	5.69	-108.14
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=C2C1=O	REAL300000543904	0	36	-2.0	-114.44	349.94	5.43	-109.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)N(C)C2	REAL300000543905	0	39	-2.0	-122.17	339.28	5.53	-116.64
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)=CC(C(=O)[O-])=C1F	REAL300000543906	0	39	-2.0	-123.18	354.07	5.55	-117.63
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)N(C)C2	REAL300000543907	0	39	-2.0	-110.77	344.65	5.67	-105.10
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)=CC(C(=O)[O-])=C1C	REAL300000543908	0	42	-2.0	-128.15	362.71	5.99	-122.16
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=C2C1=O	REAL300000543909	0	38	-2.0	-122.14	355.81	5.99	-116.15
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2C1=O	REAL300000543910	0	36	-2.0	-112.55	340.97	5.03	-107.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)C(C)=C1C(=O)[O-]	REAL300000543911	0	42	-2.0	-126.69	363.72	6.29	-120.40
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)C=C1C(=O)[O-]	REAL300000543912	0	39	-2.0	-121.99	350.71	5.50	-116.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)=C1Cl	REAL300000543913	0	39	-2.0	-119.82	361.01	6.05	-113.77
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)=C1	REAL300000543914	0	39	-2.0	-132.04	354.25	5.59	-126.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)C=C1C(=O)[O-]	REAL300000543915	0	42	-2.0	-126.78	363.56	6.09	-120.69
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)C=C1CC(=O)[O-]	REAL300000543916	0	43	-2.0	-124.44	379.71	5.03	-119.41
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)N(C)C2	REAL300000543917	0	39	-2.0	-114.87	355.50	6.08	-108.79
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)=CC(C(=O)[O-])=C1Cl	REAL300000543918	0	39	-2.0	-122.17	360.46	5.86	-116.31
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)C=C1C(=O)[O-]	REAL300000543919	0	40	-2.0	-124.36	357.19	5.10	-119.26
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)C=C1C(=O)[O-]	REAL300000543920	0	39	-2.0	-118.02	359.10	5.87	-112.15
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)=CC=C1C(=O)[O-]	REAL300000543921	0	39	-2.0	-111.70	345.25	5.45	-106.25
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)N(C)C2	REAL300000543922	0	39	-2.0	-119.63	349.19	5.72	-113.91
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=C2C1=O	REAL300000543923	0	38	-2.0	-133.63	352.96	6.75	-126.88
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2C1=O	REAL300000543924	0	36	-2.0	-131.01	332.87	4.93	-126.08
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)C=C1C(=O)[O-]	REAL300000543925	0	39	-2.0	-116.30	350.40	5.47	-110.83
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=C2C1=O	REAL300000543926	0	42	-2.0	-133.66	370.28	7.02	-126.64
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2C1=O	REAL300000543927	0	35	-2.0	-119.41	326.22	2.97	-116.44
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1C(=O)N(C)C2	REAL300000543928	0	40	-2.0	-115.51	357.44	4.71	-110.80
CN1CC2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2C1=O	REAL300000543929	0	33	-2.0	-110.93	329.34	3.89	-107.04
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C2C1=O	REAL300000543930	0	43	-2.0	-116.90	375.36	6.79	-110.11
CN1CC2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C2C1=O	REAL300000543931	0	43	-2.0	-123.60	373.32	6.77	-116.83
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2C(=O)N(C)C3)C=C(C(=O)[O-])O1	REAL300000543932	0	39	-2.0	-115.13	351.34	4.90	-110.23
CC1=NN(CC2=CC=CC=C2)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000543933	0	44	-2.0	-98.04	384.49	7.65	-90.39
CC1=NN(CC2=CC=CC=C2)C(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000543934	0	44	-2.0	-109.58	384.11	7.79	-101.79
CC1=NN(CC2=CC=CC=C2)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000543935	0	47	-2.0	-110.86	402.51	8.53	-102.33
CC1=NN(CC2=CC=CC=C2)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000543936	0	41	-2.0	-104.50	378.07	6.66	-97.84
CC1=NN(CC2=CC=CC=C2)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000543937	0	47	-2.0	-110.88	399.56	8.60	-102.28
CC1=NN(CC2=CC=CC=C2)C(C)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000543938	0	45	-2.0	-108.21	394.45	7.32	-100.89
CC1=NN(CC2=CC=CC=C2)C(C)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000543939	0	41	-2.0	-105.64	376.23	6.68	-98.96
CC1=NN(CC2=CC=CC=C2)C(C)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000543940	0	44	-2.0	-104.40	389.08	6.92	-97.48
CC1=NN(CC2=CC=CC=C2)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000543941	0	41	-2.0	-99.79	376.51	6.95	-92.84
CC1=NN(CC2=CC=CC=C2)C(C)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000543942	0	47	-2.0	-101.63	406.68	8.42	-93.21
CC1=NN(CC2=CC=CC=C2)C(C)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000543943	0	47	-2.0	-105.28	393.70	8.46	-96.82
CC1=NN(CC2=CC=CC=C2)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000543944	0	47	-2.0	-97.65	402.74	8.76	-88.89
CC1=NN(CC2=CC=CC=C2)C(C)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000543945	0	47	-2.0	-97.88	399.86	8.33	-89.55
CC1=NN(CC2=CC=CC=C2)C(C)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000543946	0	43	-2.0	-108.37	384.42	5.91	-102.46
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1Cl	REAL300000543947	0	39	-2.0	-88.32	368.33	1.89	-86.43
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000543948	0	32	-2.0	-103.83	316.39	3.33	-100.50
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C)C=C1O	REAL300000543949	0	40	-2.0	-106.52	371.47	4.39	-102.13
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300000543950	0	32	-2.0	-94.80	311.85	3.30	-91.50
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000543951	0	32	-2.0	-108.12	311.85	3.30	-104.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C)C=C1O	REAL300000543952	0	36	-2.0	-113.68	339.99	3.09	-110.59
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1Cl	REAL300000543953	0	36	-2.0	-94.33	343.32	4.60	-89.73
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000543954	0	35	-2.0	-107.52	327.87	3.82	-103.70
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1Cl	REAL300000543955	0	32	-2.0	-103.60	324.92	3.87	-99.73
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000543956	0	32	-2.0	-102.23	324.37	3.69	-98.54
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1Cl	REAL300000543957	0	38	-2.0	-111.70	344.52	4.63	-107.07
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000543958	0	32	-2.0	-105.16	317.33	3.35	-101.81
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300000543959	0	38	-2.0	-93.75	355.42	4.88	-88.87
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000543960	0	29	-2.0	-102.34	305.03	2.30	-100.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=C(C)C(Cl)=C1	REAL300000543961	0	35	-2.0	-109.44	327.28	4.07	-105.37
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1Cl	REAL300000543962	0	36	-2.0	-93.09	342.94	3.58	-89.51
CC1=CC(O)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000543963	0	33	-2.0	-106.30	318.50	2.65	-103.65
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1Cl	REAL300000543964	0	36	-2.0	-110.11	335.63	2.14	-107.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(O)C=C(C)C(Cl)=C2)=C1	REAL300000543965	0	32	-2.0	-97.42	320.96	2.99	-94.43
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1Cl	REAL300000543966	0	38	-2.0	-110.73	343.30	4.62	-106.11
CC1=CC(O)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000543967	0	29	-2.0	-103.80	303.50	2.33	-101.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C=C2O)C=C1C(=O)[O-]	REAL300000543968	0	36	-2.0	-112.16	339.14	3.36	-108.80
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1Cl	REAL300000543969	0	42	-2.0	-113.33	367.09	5.92	-107.41
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1Cl	REAL300000543970	0	41	-2.0	-111.56	365.76	5.31	-106.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C)C=C1O	REAL300000543971	0	38	-2.0	-107.81	341.98	5.03	-102.78
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C)C=C1O	REAL300000543972	0	39	-2.0	-113.86	362.28	3.85	-110.01
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000543973	0	34	-3.0	-182.40	340.25	3.86	-178.54
CC1=CC(O)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000543973	1	35	-2.0	-107.00	340.21	3.80	-103.20
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1Cl	REAL300000543974	0	39	-2.0	-113.66	356.09	5.20	-108.46
CC1=C(S(=O)(=O)[N-]C2=C(O)C=C(C)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000543975	0	32	-2.0	-102.19	314.86	2.44	-99.75
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1Cl	REAL300000543976	0	38	-2.0	-111.31	354.03	3.07	-108.24
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C=C2O)=C1	REAL300000543977	0	36	-2.0	-107.43	340.83	2.38	-105.05
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1Cl	REAL300000543978	0	40	-2.0	-93.22	364.78	3.89	-89.33
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1Cl	REAL300000543979	0	32	-2.0	-100.30	329.45	3.87	-96.43
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1Cl	REAL300000543980	0	39	-2.0	-93.64	363.01	4.28	-89.36
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1Cl	REAL300000543981	0	35	-2.0	-99.79	332.56	4.12	-95.67
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1Cl	REAL300000543982	0	36	-2.0	-92.42	349.15	3.65	-88.77
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C=C2O)C=C1C(=O)[O-]	REAL300000543983	0	39	-2.0	-112.84	361.00	4.28	-108.56
CC1=C(S(=O)(=O)[N-]C2=C(O)C=C(C)C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000543984	0	32	-2.0	-105.56	321.54	3.18	-102.38
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1Cl	REAL300000543985	0	32	-2.0	-92.29	324.90	3.87	-88.42
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000543986	0	32	-2.0	-94.15	316.37	3.34	-90.81
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000543987	0	29	-2.0	-96.29	304.11	2.43	-93.86
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000543988	0	32	-2.0	-97.51	318.26	3.37	-94.14
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1Cl	REAL300000543989	0	35	-2.0	-106.66	337.61	4.00	-102.66
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000543990	0	32	-2.0	-94.33	317.31	3.37	-90.96
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000543991	0	32	-2.0	-92.26	324.35	3.70	-88.56
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1Cl	REAL300000543992	0	35	-2.0	-101.52	341.30	4.50	-97.02
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1Cl	REAL300000543993	0	40	-2.0	-91.16	375.60	4.71	-86.45
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000543994	0	32	-2.0	-96.96	322.68	3.39	-93.57
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1Cl	REAL300000543995	0	34	-2.0	-91.74	340.05	3.97	-87.77
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000543996	0	33	-2.0	-108.27	321.55	1.02	-107.25
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000543997	0	35	-2.0	-98.63	334.04	4.07	-94.56
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000543998	0	32	-2.0	-98.42	332.56	3.83	-94.59
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000543999	0	35	-2.0	-102.34	321.89	3.93	-98.41
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000544000	0	35	-2.0	-105.16	336.69	3.95	-101.21
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1Cl	REAL300000544001	0	35	-2.0	-95.35	327.26	4.07	-91.28
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000544002	0	38	-2.0	-111.23	345.32	4.38	-106.85
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1Cl	REAL300000544003	0	34	-2.0	-104.59	338.43	4.38	-100.21
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1Cl	REAL300000544004	0	32	-2.0	-96.04	323.59	3.43	-92.61
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1Cl	REAL300000544005	0	38	-2.0	-107.02	345.38	4.71	-102.31
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1Cl	REAL300000544006	0	35	-2.0	-107.55	337.17	4.00	-103.55
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1Cl	REAL300000544007	0	35	-2.0	-105.42	343.61	4.45	-100.97
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C=C2O)=C1	REAL300000544008	0	35	-2.0	-110.68	336.89	3.99	-106.69
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C=C2O)C=C1C(=O)[O-]	REAL300000544009	0	38	-2.0	-108.20	346.17	4.48	-103.72
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C=C2O)C=C1CC(=O)[O-]	REAL300000544010	0	39	-2.0	-108.63	362.32	3.43	-105.20
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000544011	0	35	-2.0	-95.97	338.11	4.48	-91.49
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000544012	0	35	-2.0	-104.01	343.08	4.26	-99.75
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C=C2O)C=C1C(=O)[O-]	REAL300000544013	0	36	-2.0	-106.16	339.80	3.50	-102.66
CC1=CC(O)=C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=C1Cl	REAL300000544014	0	44	-2.0	-106.29	377.00	6.16	-100.13
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000544015	0	35	-2.0	-102.47	345.62	4.36	-98.11
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1Cl	REAL300000544016	0	35	-2.0	-95.02	327.86	3.83	-91.19
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1Cl	REAL300000544017	0	35	-2.0	-107.13	331.39	4.13	-103.00
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1Cl	REAL300000544018	0	34	-2.0	-112.49	335.58	5.14	-107.35
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000544019	0	32	-2.0	-109.83	315.48	3.33	-106.50
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000544020	0	35	-2.0	-100.61	336.81	3.97	-96.64
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1Cl	REAL300000544021	0	38	-2.0	-114.50	352.89	5.42	-109.08
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000544022	0	31	-2.0	-104.99	308.82	1.36	-103.63
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=C(C)C=C1O	REAL300000544023	0	36	-2.0	-99.11	340.05	3.09	-96.02
CC1=CC(O)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000544024	0	29	-2.0	-95.59	311.95	2.26	-93.33
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1Cl	REAL300000544025	0	39	-2.0	-101.11	357.98	5.18	-95.93
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1Cl	REAL300000544026	0	39	-2.0	-104.41	355.93	5.16	-99.25
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(C)C=C2O)C=C(C(=O)[O-])O1	REAL300000544027	0	35	-2.0	-102.18	333.96	3.29	-98.89
CC(=O)NC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1F	REAL300000544034	1	35	-2.0	-106.73	343.79	4.24	-102.49
CC(=O)NC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1F	REAL300000544036	0	32	-2.0	-104.90	331.78	3.18	-101.72
CC(=O)NC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1F	REAL300000544039	1	35	-2.0	-99.82	347.73	3.85	-95.97
CC(=O)NC1=C(F)C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1F	REAL300000544043	1	35	-2.0	-102.48	341.61	3.29	-99.19
CC(=O)NC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1F	REAL300000544046	1	32	-2.0	-98.81	330.87	3.29	-95.52
CC(=O)NC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1F	REAL300000544048	1	35	-2.0	-96.77	344.05	4.24	-92.53
CC(=O)NC1=C(F)C=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1F	REAL300000544049	0	36	-2.0	-104.64	337.00	2.66	-101.98
CC(=O)NC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000544058	1	35	-2.0	-116.13	342.22	4.19	-111.94
CC(=O)NC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1F	REAL300000544059	0	34	-2.0	-107.02	334.82	2.27	-104.75
CC(=O)NC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1F	REAL300000544060	1	32	-2.0	-97.96	338.69	3.14	-94.82
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(NC(C)=O)=C2F)C=C(C(=O)[O-])O1	REAL300000544061	1	38	-2.0	-102.17	360.44	4.16	-98.01
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000544062	0	34	-2.0	-103.71	341.67	6.27	-97.44
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000544063	0	34	-2.0	-95.33	337.12	6.24	-89.09
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000544064	0	34	-2.0	-108.76	337.15	6.24	-102.52
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000544065	0	38	-2.0	-112.78	365.27	6.03	-106.75
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000544066	0	38	-2.0	-94.49	368.59	7.53	-86.96
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000544067	0	37	-2.0	-110.00	353.15	6.77	-103.23
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000544068	0	40	-2.0	-107.63	369.80	7.59	-100.04
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000544069	0	34	-2.0	-104.62	342.61	6.30	-98.32
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000544070	0	40	-2.0	-94.03	380.71	7.83	-86.20
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000544071	0	31	-2.0	-102.85	330.32	5.25	-97.60
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000544072	0	37	-2.0	-108.30	352.57	7.02	-101.28
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000544073	0	38	-2.0	-93.37	368.21	6.52	-86.85
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000544074	0	35	-2.0	-104.77	343.78	5.58	-99.19
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000544075	0	38	-2.0	-106.18	360.92	5.07	-101.11
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000544076	0	34	-2.0	-98.79	346.24	5.92	-92.87
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000544077	0	40	-2.0	-109.55	368.58	7.55	-102.00
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000544078	0	31	-2.0	-102.17	328.79	5.27	-96.90
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000544079	0	38	-2.0	-111.77	364.42	6.30	-105.47
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1C(=O)OC	REAL300000544080	0	40	-2.0	-103.24	366.60	7.94	-95.30
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000544081	0	34	-2.0	-101.76	340.14	5.38	-96.38
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000544082	0	38	-2.0	-111.30	366.05	5.33	-105.97
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000544083	0	34	-2.0	-102.44	346.83	6.12	-96.32
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000544084	0	34	-2.0	-95.28	341.65	6.28	-89.00
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000544085	0	31	-2.0	-97.47	329.39	5.37	-92.10
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000544086	0	34	-2.0	-99.63	343.55	6.30	-93.33
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000544087	0	34	-2.0	-94.67	342.60	6.31	-88.36
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000544088	0	35	-2.0	-106.59	346.85	3.95	-102.64
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000544089	0	37	-2.0	-100.16	359.31	7.02	-93.14
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000544090	0	37	-2.0	-103.15	347.17	6.87	-96.28
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000544091	0	37	-2.0	-95.60	352.55	7.00	-88.60
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000544092	0	40	-2.0	-108.97	370.60	7.32	-101.65
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000544093	0	40	-2.0	-110.40	370.67	7.64	-102.76
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000544094	0	40	-2.0	-110.66	371.46	7.42	-103.24
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)OC)C=C1C(=O)[O-]	REAL300000544095	0	38	-2.0	-108.25	365.09	6.45	-101.80
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000544096	0	37	-2.0	-95.29	353.14	6.78	-88.51
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000544097	0	34	-2.0	-114.48	340.77	6.26	-108.22
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000544098	0	33	-2.0	-102.93	334.12	4.29	-98.64
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000544099	0	38	-2.0	-99.43	365.34	6.03	-93.40
COC(=O)C1=C(Cl)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000544100	0	31	-2.0	-94.73	337.23	5.22	-89.51
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2C(=O)OC)C=C(C(=O)[O-])O1	REAL300000544101	0	37	-2.0	-99.04	359.25	6.23	-92.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=CC=C1F	REAL300000544102	0	39	-2.0	-104.86	354.37	2.00	-102.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1	REAL300000544103	0	39	-2.0	-95.52	349.85	1.96	-93.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=CC=C1	REAL300000544104	0	39	-2.0	-107.41	349.84	1.95	-105.46
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC(=O)NC2)N=C1	REAL300000544105	0	43	-2.0	-112.85	378.01	1.77	-111.08
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1	REAL300000544106	0	43	-2.0	-95.17	381.29	3.26	-91.91
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1C(=O)[O-]	REAL300000544107	0	42	-2.0	-108.10	365.85	2.49	-105.61
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=C1	REAL300000544108	0	39	-2.0	-103.34	362.93	2.54	-100.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=CC=C1Cl	REAL300000544109	0	39	-2.0	-103.15	362.34	2.35	-100.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=C1C	REAL300000544110	0	45	-2.0	-111.04	382.23	3.28	-107.76
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=C1	REAL300000544111	0	39	-2.0	-104.62	355.34	2.02	-102.60
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1	REAL300000544112	0	45	-2.0	-94.47	393.40	3.55	-90.92
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=C1	REAL300000544113	0	36	-2.0	-101.74	343.05	0.99	-100.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC(=O)NC2)N=C1	REAL300000544114	0	42	-2.0	-109.19	365.27	2.74	-106.45
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1	REAL300000544115	0	43	-2.0	-93.86	380.90	2.24	-91.62
CN1C=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1C(=O)[O-]	REAL300000544116	0	40	-2.0	-105.97	356.51	1.32	-104.65
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC(=O)NC2)N=C1	REAL300000544117	0	43	-2.0	-109.62	374.04	0.78	-108.84
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=C1	REAL300000544118	0	39	-2.0	-98.06	358.97	1.64	-96.42
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1C(=O)[O-]	REAL300000544119	0	45	-2.0	-109.86	381.32	3.27	-106.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=CS1	REAL300000544120	0	36	-2.0	-103.03	341.52	1.00	-102.03
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1C(=O)[O-]	REAL300000544121	0	43	-2.0	-113.27	377.15	2.03	-111.24
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC(=O)NC2)N=C1	REAL300000544122	0	45	-2.0	-107.33	380.00	3.67	-103.66
CC1=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C(C(=O)[O-])O1	REAL300000544123	0	39	-2.0	-102.36	352.86	1.11	-101.25
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=C1	REAL300000544124	0	43	-2.0	-108.00	378.82	1.06	-106.94
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC(=O)NC2)N=C1	REAL300000544125	0	42	-2.0	-99.84	370.57	2.78	-97.06
CC1=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C(C(=O)[O-])S1	REAL300000544126	0	39	-2.0	-105.55	359.56	1.85	-103.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C(Cl)=C1	REAL300000544127	0	39	-2.0	-93.08	362.89	2.53	-90.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1F	REAL300000544128	0	39	-2.0	-95.23	354.35	2.00	-93.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)S1	REAL300000544129	0	36	-2.0	-97.06	342.13	1.09	-95.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=CC(F)=C1	REAL300000544130	0	39	-2.0	-98.27	356.27	2.03	-96.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=C1F	REAL300000544131	0	42	-2.0	-106.22	375.58	2.66	-103.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C(F)=C1	REAL300000544132	0	39	-2.0	-94.55	355.30	2.04	-92.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1Cl	REAL300000544133	0	39	-2.0	-93.10	362.37	2.36	-90.74
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=C1	REAL300000544134	0	40	-2.0	-108.32	359.58	-0.32	-108.64
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1	REAL300000544135	0	42	-2.0	-99.01	372.00	2.74	-96.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2CCC(=O)NC2)N=C1	REAL300000544136	0	42	-2.0	-102.80	359.91	2.59	-100.21
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000544137	0	42	-2.0	-106.21	374.70	2.62	-103.59
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CCC(=O)NC2)N=C1	REAL300000544138	0	42	-2.0	-96.04	365.28	2.73	-93.31
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000544139	0	45	-2.0	-111.59	386.66	3.12	-108.47
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000544140	0	45	-2.0	-107.26	384.34	3.33	-103.93
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1C(=O)[O-]	REAL300000544141	0	42	-2.0	-105.63	371.34	2.57	-103.06
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=C1	REAL300000544142	0	42	-2.0	-110.87	374.87	2.65	-108.22
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1C(=O)[O-]	REAL300000544143	0	45	-2.0	-108.67	384.15	3.14	-105.53
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1C(=O)[O-]	REAL300000544144	0	43	-2.0	-107.23	377.89	2.19	-105.04
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=CC=C1C(=O)[O-]	REAL300000544145	0	42	-2.0	-95.55	365.84	2.51	-93.04
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCC(=O)NC2)N=C1	REAL300000544146	0	42	-2.0	-106.87	369.79	2.77	-104.10
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=CC=C1	REAL300000544147	0	39	-2.0	-110.17	353.52	1.99	-108.18
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C1C(=O)[O-]	REAL300000544148	0	42	-2.0	-100.11	374.80	2.63	-97.48
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=C1	REAL300000544149	0	38	-2.0	-104.79	346.09	0.09	-104.70
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CCC(=O)NC2)N=C1	REAL300000544150	0	43	-2.0	-99.55	378.07	1.76	-97.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)=C(Cl)O1	REAL300000544151	0	36	-2.0	-95.90	350.01	0.93	-94.97
CCC1=C(S(=O)(=O)[N-]C2=CN(C3CCC(=O)NC3)N=C2)C=C(C(=O)[O-])O1	REAL300000544152	0	42	-2.0	-102.15	372.00	1.96	-100.19
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000544153	0	42	-2.0	-91.50	382.77	0.17	-91.33
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000544154	0	35	-2.0	-107.67	330.86	1.62	-106.05
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000544155	0	43	-2.0	-108.05	385.94	2.68	-105.37
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000544156	0	35	-2.0	-97.88	326.30	1.60	-96.28
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000544157	0	35	-2.0	-110.10	326.31	1.59	-108.51
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000544158	0	39	-2.0	-114.74	354.46	1.39	-113.35
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000544159	0	39	-2.0	-97.36	357.76	2.88	-94.48
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000544160	0	38	-2.0	-111.30	342.33	2.12	-109.18
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000544161	0	35	-2.0	-105.10	339.38	2.16	-102.94
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000544162	0	35	-2.0	-106.02	338.82	1.98	-104.04
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000544163	0	35	-2.0	-100.80	351.88	2.53	-98.27
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000544164	0	41	-2.0	-111.89	359.42	2.92	-108.97
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000544165	0	35	-2.0	-106.67	331.79	1.65	-105.02
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000544166	0	41	-2.0	-96.42	369.89	3.16	-93.26
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000544167	0	32	-2.0	-104.41	319.50	0.60	-103.81
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000544168	0	38	-2.0	-109.99	341.75	2.37	-107.62
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000544169	0	39	-2.0	-96.10	357.38	1.86	-94.24
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000544170	0	36	-2.0	-108.73	332.96	0.93	-107.80
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000544171	0	39	-2.0	-110.64	350.10	0.42	-110.22
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000544172	0	35	-2.0	-100.63	335.45	1.26	-99.37
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000544173	0	41	-2.0	-111.19	357.76	2.91	-108.28
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000544174	0	32	-2.0	-105.85	317.96	0.62	-105.23
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000544175	0	43	-2.0	-110.72	384.64	1.40	-109.32
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000544176	0	39	-2.0	-116.01	353.60	1.66	-114.35
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000544177	0	45	-2.0	-113.93	381.56	4.22	-109.71
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000544178	0	44	-2.0	-112.20	380.21	3.60	-108.60
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000544179	0	41	-2.0	-107.97	356.44	3.31	-104.66
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000544180	0	42	-2.0	-116.01	376.75	2.16	-113.85
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000544181	0	37	-3.0	-185.09	354.72	2.15	-182.94
CCOC1=NN(C)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000544181	1	38	-2.0	-110.62	355.12	2.15	-108.47
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000544182	0	42	-2.0	-114.34	370.56	3.48	-110.86
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000544183	0	35	-2.0	-103.55	329.32	0.72	-102.83
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000544184	0	41	-2.0	-115.03	368.48	1.36	-113.67
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000544185	0	39	-2.0	-111.27	355.28	0.68	-110.59
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000544186	0	43	-2.0	-96.59	379.23	2.18	-94.41
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000544187	0	35	-2.0	-99.84	353.99	2.44	-97.40
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000544188	0	35	-2.0	-101.92	343.91	2.18	-99.74
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000544189	0	39	-2.0	-94.62	373.41	2.41	-92.21
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000544190	0	42	-2.0	-96.58	377.47	2.58	-94.00
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000544191	0	38	-2.0	-100.87	347.02	2.40	-98.47
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000544192	0	48	-2.0	-96.54	419.92	3.50	-93.04
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000544193	0	39	-2.0	-95.64	363.61	1.94	-93.70
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000544194	0	42	-2.0	-116.62	375.45	2.56	-114.06
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000544195	0	35	-2.0	-106.69	334.94	1.49	-105.20
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000544196	0	35	-2.0	-99.06	354.54	2.61	-96.45
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000544197	0	35	-2.0	-95.51	339.37	2.15	-93.36
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000544198	0	35	-2.0	-97.46	330.85	1.64	-95.82
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000544199	0	32	-2.0	-99.47	318.58	0.71	-98.76
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000544200	0	35	-2.0	-101.07	332.73	1.66	-99.41
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000544201	0	38	-2.0	-108.15	352.06	2.28	-105.87
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300000544202	0	39	-2.0	-100.19	366.62	2.21	-97.98
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000544203	0	35	-2.0	-97.43	331.78	1.66	-95.77
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000544204	0	35	-2.0	-95.42	338.82	2.00	-93.42
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000544205	0	38	-2.0	-102.54	355.76	2.79	-99.75
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000544206	0	43	-2.0	-94.16	390.06	3.00	-91.16
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000544207	0	35	-2.0	-99.36	337.13	1.68	-97.68
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000544208	0	37	-2.0	-95.32	354.50	2.26	-93.06
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000544209	0	36	-2.0	-108.52	336.03	-0.71	-109.23
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000544210	0	38	-2.0	-100.79	348.49	2.35	-98.44
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000544211	0	35	-2.0	-100.80	347.02	2.12	-98.68
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000544212	0	38	-2.0	-106.85	336.35	2.22	-104.63
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000544213	0	38	-2.0	-109.09	351.15	2.24	-106.85
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000544214	0	38	-2.0	-97.86	341.73	2.36	-95.50
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000544215	0	41	-2.0	-113.20	359.19	2.66	-110.54
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000544216	0	37	-2.0	-108.58	352.87	2.67	-105.91
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000544217	0	35	-2.0	-98.68	338.05	1.71	-96.97
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000544218	0	41	-2.0	-111.31	359.84	2.99	-108.32
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000544219	0	38	-2.0	-108.98	351.63	2.29	-106.69
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000544220	0	38	-2.0	-106.87	358.10	2.72	-104.15
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000544221	0	38	-2.0	-115.68	351.33	2.28	-113.40
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000544222	0	41	-2.0	-111.91	360.63	2.77	-109.14
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000544223	0	42	-2.0	-113.31	376.79	1.71	-111.60
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000544224	0	38	-2.0	-100.10	353.10	2.74	-97.36
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000544225	0	38	-2.0	-94.41	356.44	2.40	-92.01
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000544226	0	38	-2.0	-107.80	357.54	2.55	-105.25
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000544227	0	39	-2.0	-110.01	354.33	1.80	-108.21
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000544228	0	47	-2.0	-111.39	391.46	4.45	-106.94
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000544229	0	35	-2.0	-97.44	351.92	2.14	-95.30
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000544230	0	38	-2.0	-103.58	356.18	2.55	-101.03
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000544231	0	44	-2.0	-106.49	375.75	3.72	-102.77
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300000544232	0	39	-2.0	-110.67	366.64	2.22	-108.45
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000544233	0	38	-2.0	-98.02	342.32	2.13	-95.89
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000544234	0	40	-2.0	-101.74	369.57	3.79	-97.95
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000544235	0	38	-2.0	-107.46	346.27	2.40	-105.06
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000544236	0	37	-2.0	-117.85	350.06	3.45	-114.40
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000544237	0	35	-2.0	-114.84	329.95	1.61	-113.23
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000544238	0	38	-2.0	-101.88	347.48	2.17	-99.71
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000544239	0	41	-2.0	-118.35	367.34	3.71	-114.64
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000544240	0	34	-2.0	-107.80	322.53	-0.29	-108.09
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000544241	0	39	-2.0	-102.04	354.52	1.39	-100.65
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000544242	0	32	-2.0	-97.77	326.42	0.56	-97.21
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000544243	0	42	-2.0	-103.96	372.44	3.47	-100.49
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000544244	0	42	-2.0	-107.80	370.40	3.45	-104.35
CCOC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000544245	0	38	-2.0	-103.23	348.43	1.57	-101.66
CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=C(F)C=CC=C21	REAL300000544269	0	40	-2.0	-119.58	344.66	6.01	-113.57
CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=C(F)C=CC=C21	REAL300000544288	0	38	-2.0	-117.52	321.77	3.82	-113.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=CC=C1F	REAL300000544317	1	34	-2.0	-114.62	321.25	4.28	-110.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1	REAL300000544318	1	34	-2.0	-104.72	316.70	4.26	-100.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544319	1	34	-2.0	-117.24	316.71	4.25	-112.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC(=O)C2=C1	REAL300000544320	0	38	-2.0	-121.63	344.85	4.05	-117.58
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1	REAL300000544321	1	38	-2.0	-103.74	348.17	5.55	-98.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000544322	1	37	-2.0	-118.57	332.73	4.79	-113.78
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544323	0	34	-2.0	-111.75	329.78	4.83	-106.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=CC=C1Cl	REAL300000544324	1	34	-2.0	-113.05	329.23	4.65	-108.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1C	REAL300000544325	1	40	-2.0	-118.84	349.39	5.61	-113.23
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544326	0	34	-2.0	-113.73	322.19	4.32	-109.41
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1	REAL300000544327	1	40	-2.0	-103.45	360.29	5.84	-97.61
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544328	0	31	-2.0	-111.55	309.89	3.28	-108.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC(=O)C2=C1	REAL300000544329	1	37	-2.0	-116.66	332.14	5.05	-111.61
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000544331	0	35	-2.0	-115.73	323.36	3.61	-112.12
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544333	0	34	-2.0	-107.70	325.83	3.94	-103.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=CS1	REAL300000544335	0	31	-2.0	-112.96	308.36	3.30	-109.66
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544337	1	44	-2.0	-120.64	371.95	6.88	-113.76
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC(=O)C2=C1	REAL300000544338	1	43	-2.0	-118.80	370.61	6.27	-112.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC(=O)C2=C1	REAL300000544339	1	40	-2.0	-114.56	346.85	5.98	-108.58
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC(=O)C2=C1	REAL300000544340	0	41	-2.0	-120.71	367.14	4.82	-115.89
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544341	0	37	-2.0	-116.90	347.62	4.82	-112.08
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544341	1	36	-3.0	-194.82	345.11	4.82	-190.00
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544342	1	41	-2.0	-120.99	360.95	6.16	-114.83
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000544343	0	34	-2.0	-110.16	319.72	3.40	-106.76
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544344	0	38	-2.0	-118.73	345.69	3.34	-115.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C(Cl)C=C1F	REAL300000544345	0	34	-2.0	-108.32	334.31	4.85	-103.47
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC(=O)C2=C1	REAL300000544347	1	37	-2.0	-107.46	337.42	5.08	-102.38
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1F	REAL300000544348	1	38	-2.0	-101.88	354.02	4.60	-97.28
CC1=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000544350	0	34	-2.0	-113.27	325.31	4.15	-109.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C(Cl)=C1	REAL300000544351	0	34	-2.0	-102.22	329.76	4.81	-97.41
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1F	REAL300000544352	1	34	-2.0	-104.07	321.23	4.29	-99.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)S1	REAL300000544353	0	31	-2.0	-106.41	308.98	3.38	-103.03
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544354	1	34	-2.0	-108.05	323.11	4.32	-103.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1F	REAL300000544355	0	37	-2.0	-115.22	342.48	4.96	-110.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C(F)=C1	REAL300000544356	0	34	-2.0	-104.43	322.17	4.32	-100.11
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1Cl	REAL300000544357	1	34	-2.0	-102.25	329.21	4.66	-97.59
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC(=O)C2=C1	REAL300000544358	1	37	-2.0	-108.99	346.15	5.47	-103.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=CC(F)=C1F	REAL300000544359	1	34	-2.0	-106.11	327.53	4.35	-101.76
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544360	0	36	-2.0	-102.18	344.91	4.92	-97.26
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544361	0	35	-2.0	-115.13	326.43	1.96	-113.17
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544361	1	35	-2.0	-115.08	325.67	2.76	-112.32
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1	REAL300000544362	1	37	-2.0	-110.10	338.89	5.04	-105.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=CC(Cl)=C1F	REAL300000544363	1	34	-2.0	-107.59	337.42	4.78	-102.81
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C=CNC(=O)C2=C1	REAL300000544364	1	37	-2.0	-114.51	326.26	4.93	-109.58
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=CC(C(=O)[O-])=C1F	REAL300000544365	1	37	-2.0	-116.04	341.56	4.90	-111.14
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000544367	1	40	-2.0	-121.97	353.51	5.42	-116.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=CC=C1[N+](=O)[O-]	REAL300000544368	0	36	-2.0	-115.50	343.29	5.34	-110.16
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544369	0	34	-2.0	-105.57	328.47	4.38	-101.19
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000544371	0	37	-2.0	-116.08	342.03	4.95	-111.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1Cl	REAL300000544372	0	37	-2.0	-113.58	348.45	5.39	-108.19
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544373	0	37	-2.0	-123.72	341.75	4.95	-118.77
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000544374	1	40	-2.0	-119.24	350.65	5.44	-113.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1CC(=O)[O-]	REAL300000544375	1	41	-2.0	-117.67	367.18	4.39	-113.28
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC(=O)C2=C1	REAL300000544376	1	37	-2.0	-107.38	342.97	5.44	-101.94
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000544377	1	37	-2.0	-114.88	347.95	5.21	-109.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000544378	0	38	-2.0	-117.04	344.74	4.47	-112.57
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000544379	1	37	-2.0	-111.85	350.46	5.32	-106.53
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000544380	1	37	-2.0	-104.91	332.72	4.80	-100.11
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C=CNC(=O)C2=C1	REAL300000544381	1	37	-2.0	-114.19	336.25	5.09	-109.10
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1[N+](=O)[O-]	REAL300000544382	0	36	-2.0	-126.13	340.43	6.12	-120.01
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1F	REAL300000544383	0	34	-2.0	-122.87	320.37	4.29	-118.58
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C1C(=O)[O-]	REAL300000544384	1	37	-2.0	-110.04	341.65	4.93	-105.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=CC2=CC=CC=C21	REAL300000544385	1	40	-2.0	-125.70	357.75	6.38	-119.32
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C1	REAL300000544386	0	33	-2.0	-112.94	313.69	2.31	-110.63
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C=CNC(=O)C2=C1	REAL300000544387	0	38	-2.0	-108.85	344.91	4.06	-104.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)=C(Cl)O1	REAL300000544388	0	31	-2.0	-104.40	316.86	3.23	-101.17
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4C=CNC(=O)C4=C3)C=C2)CC1	REAL300000544389	1	41	-2.0	-110.48	362.83	6.14	-104.34
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C=CNC(=O)C4=C3)C=C2C1	REAL300000544390	1	41	-2.0	-116.35	362.18	6.14	-110.21
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C=CNC(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000544391	0	37	-2.0	-109.66	338.84	4.25	-105.41
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000544392	0	43	-2.0	-97.82	384.39	4.73	-93.09
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000544393	0	36	-2.0	-115.68	332.45	6.17	-109.51
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC2=CC=CN=C21	REAL300000544394	0	44	-2.0	-115.75	387.54	7.23	-108.52
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000544395	0	36	-2.0	-105.37	327.91	6.15	-99.22
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000544396	0	36	-2.0	-118.80	327.92	6.14	-112.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC2=CC=CN=C21	REAL300000544397	0	40	-2.0	-123.71	356.07	5.94	-117.77
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000544398	0	40	-2.0	-104.23	359.38	7.44	-96.79
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000544399	0	39	-2.0	-120.25	343.94	6.67	-113.58
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000544400	0	36	-2.0	-113.21	341.00	6.70	-106.51
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000544401	0	36	-2.0	-114.30	340.43	6.53	-107.77
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000544402	0	42	-2.0	-120.48	360.32	7.45	-113.03
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000544403	0	36	-2.0	-115.92	333.39	6.20	-109.72
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000544404	0	42	-2.0	-103.56	371.50	7.73	-95.83
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000544405	0	33	-2.0	-112.74	321.11	5.15	-107.59
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000544406	0	39	-2.0	-118.48	343.36	6.92	-111.56
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000544407	0	40	-2.0	-102.91	359.00	6.42	-96.49
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000544408	0	37	-2.0	-116.85	334.57	5.49	-111.36
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000544409	0	40	-2.0	-118.96	351.70	4.97	-113.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CN=C32)=C1	REAL300000544410	0	36	-2.0	-108.76	337.03	5.82	-102.94
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000544411	0	42	-2.0	-121.21	363.37	7.56	-113.65
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000544412	0	33	-2.0	-114.19	319.58	5.17	-109.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000544413	0	40	-2.0	-124.55	355.21	6.21	-118.34
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000544414	0	46	-2.0	-122.85	383.15	8.77	-114.08
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000544415	0	45	-2.0	-120.67	381.82	8.14	-112.53
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC2=CC=CN=C21	REAL300000544416	0	42	-2.0	-115.58	358.04	7.86	-107.72
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=CC2=CC=CN=C21	REAL300000544417	0	43	-2.0	-123.33	378.35	6.71	-116.62
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000544418	0	38	-3.0	-197.33	356.33	6.70	-190.63
CC1=CC2=CC=CN=C2C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000544418	1	39	-2.0	-112.93	356.37	6.65	-106.28
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000544419	0	43	-2.0	-123.23	372.17	8.04	-115.19
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CN=C32)C=C(C(=O)[O-])O1	REAL300000544420	0	36	-2.0	-111.39	330.92	5.28	-106.11
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000544421	0	40	-2.0	-120.42	356.84	5.23	-115.19
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000544422	0	44	-2.0	-103.86	380.84	6.74	-97.12
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000544423	0	36	-2.0	-109.35	345.51	6.73	-102.62
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000544424	0	43	-2.0	-103.45	379.08	7.13	-96.32
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000544425	0	39	-2.0	-109.10	348.22	6.97	-102.13
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000544426	0	40	-2.0	-102.12	365.22	6.49	-95.63
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000544427	0	43	-2.0	-125.27	377.05	7.12	-118.15
CC1=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CN=C32)C=C(C(=O)[O-])S1	REAL300000544428	0	36	-2.0	-114.65	337.62	6.02	-108.63
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000544429	0	36	-2.0	-102.35	340.98	6.70	-95.65
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000544430	0	36	-2.0	-104.54	332.43	6.18	-98.36
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000544431	0	33	-2.0	-107.40	320.18	5.27	-102.13
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000544432	0	36	-2.0	-109.29	334.33	6.21	-103.08
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000544433	0	39	-2.0	-117.45	353.68	6.84	-110.61
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000544434	0	36	-2.0	-105.24	333.37	6.21	-99.03
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000544435	0	36	-2.0	-102.74	340.41	6.54	-96.20
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000544436	0	39	-2.0	-110.91	356.95	7.36	-103.55
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000544437	0	44	-2.0	-100.63	391.66	7.55	-93.08
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000544438	0	36	-2.0	-106.93	338.74	6.23	-100.70
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000544439	0	38	-2.0	-103.13	356.11	6.81	-96.32
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000544440	0	37	-2.0	-117.07	337.64	3.85	-113.22
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000544441	0	39	-2.0	-108.84	350.10	6.93	-101.91
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000544442	0	36	-2.0	-108.46	348.63	6.67	-101.79
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000544443	0	39	-2.0	-114.99	337.96	6.79	-108.20
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000544444	0	39	-2.0	-117.21	352.76	6.79	-110.42
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000544445	0	39	-2.0	-104.96	343.33	6.91	-98.05
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000544446	0	42	-2.0	-123.53	364.76	7.31	-116.22
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000544447	0	38	-2.0	-115.96	354.47	7.24	-108.72
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000544448	0	36	-2.0	-107.42	339.65	6.27	-101.15
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000544449	0	42	-2.0	-119.54	361.45	7.54	-112.00
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000544450	0	39	-2.0	-118.29	353.23	6.84	-111.45
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000544451	0	39	-2.0	-115.11	359.68	7.28	-107.83
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000544452	0	39	-2.0	-124.64	352.95	6.83	-117.81
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000544453	0	42	-2.0	-120.97	362.24	7.33	-113.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CN=C32)C=C1CC(=O)[O-]	REAL300000544454	0	43	-2.0	-121.57	378.38	6.27	-115.30
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000544455	0	39	-2.0	-107.95	354.18	7.31	-100.64
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000544456	0	39	-2.0	-116.24	359.15	7.10	-109.14
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300000544457	0	40	-2.0	-118.17	355.87	6.34	-111.83
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=C1	REAL300000544458	0	48	-2.0	-119.59	393.07	9.02	-110.57
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000544459	0	39	-2.0	-113.07	361.69	7.21	-105.86
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000544460	0	39	-2.0	-107.14	347.97	6.79	-100.35
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000544461	0	39	-2.0	-115.68	347.45	6.97	-108.71
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000544462	0	38	-2.0	-126.55	351.66	7.99	-118.56
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000544463	0	36	-2.0	-123.71	331.56	6.17	-117.54
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000544464	0	39	-2.0	-111.22	352.88	6.82	-104.40
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000544465	0	42	-2.0	-127.47	368.95	8.26	-119.21
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000544466	0	35	-2.0	-115.34	324.91	4.19	-111.15
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=CC2=CC=CN=C21	REAL300000544467	0	40	-2.0	-109.67	356.12	5.94	-103.73
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000544468	0	33	-2.0	-105.37	328.06	5.12	-100.25
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000544469	0	43	-2.0	-112.08	372.52	7.99	-104.09
CC1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000544470	0	43	-2.0	-115.81	372.01	8.01	-107.80
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=CC3=CC=CN=C32)C=C(C(=O)[O-])O1	REAL300000544471	0	39	-2.0	-110.50	350.05	6.12	-104.38
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C(C)C=C1Cl	REAL300000544472	1	41	-2.0	-84.74	377.52	5.45	-79.29
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(Cl)C=C1C	REAL300000544474	0	42	-2.0	-102.10	380.65	7.94	-94.16
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544476	1	34	-2.0	-103.27	321.03	6.86	-96.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(Cl)C=C1C	REAL300000544477	0	38	-2.0	-108.97	349.17	6.66	-102.31
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C(C)C=C1Cl	REAL300000544478	1	38	-2.0	-90.72	352.50	8.15	-82.57
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C(C)C=C1Cl	REAL300000544480	0	34	-2.0	-99.21	334.11	7.43	-91.78
CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544481	1	34	-2.0	-99.20	333.55	7.25	-91.95
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C(C)C=C1Cl	REAL300000544482	1	40	-2.0	-106.48	354.14	8.19	-98.29
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C(C)C=C1Cl	REAL300000544483	0	34	-2.0	-100.83	326.51	6.92	-93.91
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C(C)C=C1Cl	REAL300000544484	1	40	-2.0	-89.94	364.62	8.44	-81.50
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(C)C=C1Cl	REAL300000544485	0	31	-2.0	-97.69	314.23	5.87	-91.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=C(Cl)C(C)=C1	REAL300000544486	1	37	-2.0	-104.63	336.47	7.64	-96.99
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544488	1	35	-2.0	-101.75	327.69	6.20	-95.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C(C)=C2)=C1	REAL300000544490	0	34	-2.0	-93.91	330.15	6.54	-87.37
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544492	0	31	-2.0	-99.09	312.67	5.90	-93.19
COC1=CC(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C=C2C)=CC(C(=O)[O-])=C1OC	REAL300000544493	1	42	-2.0	-103.83	379.36	6.67	-97.16
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C(C)C=C1Cl	REAL300000544495	1	44	-2.0	-108.44	376.27	9.49	-98.95
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C(C)C=C1Cl	REAL300000544496	1	43	-2.0	-106.77	374.94	8.87	-97.90
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(Cl)C=C1C	REAL300000544497	1	40	-2.0	-103.02	350.63	8.57	-94.45
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(Cl)C=C1C	REAL300000544498	0	41	-2.0	-109.09	371.47	7.42	-101.67
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544499	0	37	-2.0	-107.31	347.96	7.37	-99.94
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544499	1	36	-3.0	-178.20	349.43	7.43	-170.77
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C(C)C=C1Cl	REAL300000544500	1	41	-2.0	-108.78	365.28	8.75	-100.03
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000544501	0	34	-2.0	-97.69	324.05	5.99	-91.70
CC1=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544502	1	40	-2.0	-108.07	363.21	6.63	-101.44
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C=C2C)=C1	REAL300000544503	0	38	-2.0	-104.19	350.02	5.95	-98.24
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C(C)C=C1Cl	REAL300000544505	0	34	-2.0	-95.98	338.63	7.44	-88.54
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C(C)C=C1Cl	REAL300000544507	1	37	-2.0	-95.22	341.75	7.67	-87.55
CC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C(C)C=C1Cl	REAL300000544508	1	38	-2.0	-88.91	358.34	7.20	-81.71
CC1=C(S(=O)(=O)[N-]C2=C(C)C=C(Cl)C(C)=C2)C=C(C(=O)[O-])S1	REAL300000544510	1	34	-2.0	-101.08	329.66	6.75	-94.33
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C(C)C=C1Cl	REAL300000544511	0	34	-2.0	-88.57	334.08	7.42	-81.15
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C(C)C=C1Cl	REAL300000544512	1	34	-2.0	-90.58	325.56	6.90	-83.68
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(C)C=C1Cl	REAL300000544513	0	31	-2.0	-92.69	313.30	5.99	-86.70
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544514	1	34	-2.0	-94.24	327.45	6.93	-87.31
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C(C)C=C1Cl	REAL300000544515	0	37	-2.0	-102.18	346.78	7.56	-94.62
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C(C)C=C1Cl	REAL300000544516	0	34	-2.0	-90.40	326.49	6.93	-83.47
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C(C)C=C1Cl	REAL300000544517	1	34	-2.0	-88.62	333.53	7.26	-81.36
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C(C)C=C1Cl	REAL300000544518	1	37	-2.0	-96.86	350.49	8.06	-88.80
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C(C)C=C1Cl	REAL300000544519	1	42	-2.0	-87.52	384.78	8.27	-79.25
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544520	1	34	-2.0	-92.60	331.86	6.95	-85.65
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544521	1	36	-2.0	-88.49	349.23	7.53	-80.96
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C(C)C=C1Cl	REAL300000544522	0	35	-2.0	-103.60	330.75	4.57	-99.03
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C(C)C=C1Cl	REAL300000544522	1	35	-2.0	-107.19	324.79	4.92	-102.27
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C(C)C=C1Cl	REAL300000544523	1	37	-2.0	-94.67	343.21	7.63	-87.04
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544524	1	34	-2.0	-93.98	341.74	7.39	-86.59
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C(C)C=C1Cl	REAL300000544525	1	37	-2.0	-99.13	331.08	7.49	-91.64
CC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544529	0	36	-2.0	-101.77	347.59	7.96	-93.81
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C(C)C=C1Cl	REAL300000544530	0	34	-2.0	-92.47	332.77	6.98	-85.49
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C(C)C=C1Cl	REAL300000544532	0	37	-2.0	-101.93	342.51	7.46	-94.47
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C(C)C=C1Cl	REAL300000544533	0	37	-2.0	-100.94	352.82	8.00	-92.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C=C2C)=C1	REAL300000544534	0	37	-2.0	-107.74	346.05	7.55	-100.19
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C(C)C=C1Cl	REAL300000544537	1	37	-2.0	-92.62	347.30	8.04	-84.58
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544538	1	37	-2.0	-100.91	352.26	7.82	-93.09
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C=C2C)C=C1C(=O)[O-]	REAL300000544539	1	38	-2.0	-103.05	349.06	7.08	-95.97
CC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544541	1	37	-2.0	-96.78	350.90	7.82	-88.96
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C(C)C=C1Cl	REAL300000544543	0	39	-2.0	-95.31	364.29	9.05	-86.26
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C(C)C=C1Cl	REAL300000544545	0	36	-2.0	-109.96	344.79	8.72	-101.24
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C(C)C=C1Cl	REAL300000544546	0	34	-2.0	-107.03	324.67	6.88	-100.15
CC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544547	1	37	-2.0	-95.11	342.20	7.43	-87.68
CC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544548	1	40	-2.0	-111.47	362.08	8.98	-102.49
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(C)C=C1Cl	REAL300000544549	0	33	-2.0	-100.91	318.01	4.92	-95.99
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C)=C(Cl)C=C1C	REAL300000544550	0	38	-2.0	-95.21	349.23	6.65	-88.56
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C(C)C=C1Cl	REAL300000544551	0	31	-2.0	-91.49	321.13	5.84	-85.65
CC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C(C)C=C1Cl	REAL300000544552	1	41	-2.0	-97.72	367.16	8.74	-88.98
CC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C(C)C=C1Cl	REAL300000544553	1	41	-2.0	-99.88	365.11	8.74	-91.14
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=C(Cl)C=C2C)C=C(C(=O)[O-])O1	REAL300000544554	0	37	-2.0	-97.60	343.15	6.84	-90.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCC2)C=C1	REAL300000544555	0	48	-2.0	-101.47	399.98	8.67	-92.80
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCC2)=C1	REAL300000544556	0	48	-2.0	-114.90	400.00	8.66	-106.24
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCC2)=C1	REAL300000544557	0	45	-2.0	-108.86	393.18	7.68	-101.18
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCC2)C=C1C(=O)[O-]	REAL300000544558	0	49	-2.0	-113.08	406.65	8.01	-105.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCC2)=CS1	REAL300000544559	0	45	-2.0	-110.30	391.64	7.70	-102.60
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCC2)C=C(C(=O)[O-])O1	REAL300000544560	0	48	-2.0	-107.60	403.00	7.80	-99.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCC2)S1	REAL300000544561	0	45	-2.0	-103.31	392.25	7.79	-95.52
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2OCC2CCCCC2)=C1	REAL300000544562	0	47	-2.0	-112.71	396.22	6.78	-105.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=CC=C1F	REAL300000544563	0	29	-2.0	-99.12	303.90	2.81	-96.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1	REAL300000544564	0	29	-2.0	-88.59	299.35	2.78	-85.81
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544565	0	29	-2.0	-101.25	299.37	2.77	-98.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1O	REAL300000544566	0	33	-2.0	-105.87	327.50	2.58	-103.29
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1	REAL300000544567	0	33	-2.0	-88.59	330.81	4.08	-84.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000544568	0	32	-2.0	-100.33	315.38	3.30	-97.03
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544569	0	29	-2.0	-96.63	312.43	3.36	-93.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=CC=C1Cl	REAL300000544570	0	29	-2.0	-97.27	311.87	3.17	-94.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1C	REAL300000544571	0	35	-2.0	-103.80	332.47	4.12	-99.68
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544572	0	29	-2.0	-97.86	304.84	2.84	-95.02
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1	REAL300000544573	0	35	-2.0	-87.49	342.94	4.36	-83.13
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544574	0	26	-2.0	-95.58	292.55	1.79	-93.79
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1O	REAL300000544575	0	32	-2.0	-101.98	314.80	3.56	-98.42
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1	REAL300000544576	0	33	-2.0	-87.11	330.45	3.06	-84.05
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000544577	0	30	-2.0	-99.40	306.01	2.13	-97.27
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1O	REAL300000544578	0	33	-2.0	-102.49	323.57	1.59	-100.90
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544579	0	29	-2.0	-90.92	308.47	2.47	-88.45
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000544580	0	35	-2.0	-103.12	330.81	4.10	-99.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=CS1	REAL300000544581	0	26	-2.0	-97.02	291.02	1.81	-95.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000544582	0	33	-2.0	-107.08	326.66	2.85	-104.23
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544583	0	39	-2.0	-105.52	354.60	5.41	-100.11
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1O	REAL300000544584	0	38	-2.0	-103.99	353.26	4.79	-99.20
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1O	REAL300000544585	0	35	-2.0	-100.54	329.49	4.51	-96.03
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1O	REAL300000544586	0	36	-2.0	-106.49	349.79	3.34	-103.15
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544587	0	31	-3.0	-174.16	327.77	3.34	-170.82
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544587	1	32	-2.0	-103.66	327.80	3.29	-100.37
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544588	0	36	-2.0	-105.81	343.61	4.68	-101.13
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C(C(=O)[O-])O1	REAL300000544589	0	29	-2.0	-95.48	302.37	1.92	-93.56
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544590	0	33	-2.0	-100.65	328.35	1.87	-98.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C(Cl)C=C1F	REAL300000544591	0	29	-2.0	-93.69	316.96	3.37	-90.32
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=CC=C1OCC(=O)[O-]	REAL300000544592	0	36	-2.0	-87.50	350.52	3.77	-83.73
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1O	REAL300000544593	0	32	-2.0	-92.85	320.08	3.60	-89.25
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1F	REAL300000544594	0	33	-2.0	-86.69	336.67	3.12	-83.57
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000544595	0	36	-2.0	-105.86	348.51	3.76	-102.10
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C(C(=O)[O-])S1	REAL300000544596	0	29	-2.0	-98.79	307.99	2.67	-96.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C(Cl)=C1	REAL300000544597	0	29	-2.0	-86.18	312.41	3.35	-82.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1F	REAL300000544598	0	29	-2.0	-88.18	303.89	2.82	-85.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)S1	REAL300000544599	0	26	-2.0	-89.88	291.62	1.91	-87.97
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544600	0	29	-2.0	-90.93	305.78	2.85	-88.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1F	REAL300000544601	0	32	-2.0	-98.99	325.11	3.47	-95.52
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C(F)=C1	REAL300000544602	0	29	-2.0	-87.65	304.83	2.85	-84.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1Cl	REAL300000544603	0	29	-2.0	-86.20	311.86	3.18	-83.02
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1O	REAL300000544604	0	32	-2.0	-94.49	328.82	3.98	-90.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=CC(F)=C1F	REAL300000544605	0	29	-2.0	-90.81	310.18	2.87	-87.94
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544606	0	31	-2.0	-86.42	327.55	3.45	-82.97
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544607	0	30	-2.0	-100.79	309.08	0.48	-100.31
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1	REAL300000544608	0	32	-2.0	-91.71	321.54	3.56	-88.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=CC(Cl)=C1F	REAL300000544609	0	29	-2.0	-92.10	320.07	3.31	-88.79
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1O	REAL300000544610	0	32	-2.0	-95.89	309.40	3.42	-92.47
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=CC(C(=O)[O-])=C1F	REAL300000544611	0	32	-2.0	-98.45	324.21	3.42	-95.03
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1O	REAL300000544612	0	32	-2.0	-89.15	314.78	3.55	-85.60
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=CC(C(=O)[O-])=C1C	REAL300000544613	0	35	-2.0	-102.11	332.24	3.84	-98.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=CC=C1[N+](=O)[O-]	REAL300000544614	0	31	-2.0	-98.49	325.94	3.87	-94.62
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544615	0	29	-2.0	-89.67	311.10	2.91	-86.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C(C)=C1C(=O)[O-]	REAL300000544616	0	35	-2.0	-100.46	332.90	4.19	-96.27
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000544617	0	32	-2.0	-98.69	320.84	3.38	-95.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1Cl	REAL300000544618	0	32	-2.0	-98.05	331.14	3.92	-94.13
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544619	0	32	-2.0	-103.85	324.40	3.47	-100.38
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000544620	0	35	-2.0	-100.95	333.65	3.96	-96.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1CC(=O)[O-]	REAL300000544621	0	36	-2.0	-103.59	349.84	2.90	-100.69
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1O	REAL300000544622	0	32	-2.0	-89.57	325.63	3.97	-85.60
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000544623	0	32	-2.0	-97.11	330.60	3.73	-93.38
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000544624	0	33	-2.0	-100.64	327.39	2.99	-97.65
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000544625	0	32	-2.0	-95.52	333.13	3.84	-91.68
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=CC=C1C(=O)[O-]	REAL300000544626	0	32	-2.0	-90.25	319.43	3.43	-86.82
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1O	REAL300000544627	0	32	-2.0	-99.80	319.31	3.60	-96.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1[N+](=O)[O-]	REAL300000544628	0	31	-2.0	-105.97	323.10	4.62	-101.35
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1F	REAL300000544629	0	29	-2.0	-103.42	303.00	2.81	-100.61
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C1C(=O)[O-]	REAL300000544630	0	32	-2.0	-93.79	324.32	3.45	-90.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=CC2=CC=CC=C21	REAL300000544631	0	35	-2.0	-109.30	340.40	4.90	-104.40
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C1	REAL300000544632	0	28	-2.0	-97.48	295.58	0.89	-96.59
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(F)=C1O	REAL300000544633	0	33	-2.0	-92.46	327.56	2.58	-89.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)=C(Cl)O1	REAL300000544634	0	26	-2.0	-89.12	299.47	1.74	-87.38
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(Cl)=CC(F)=C3O)C=C2)CC1	REAL300000544635	0	36	-2.0	-95.26	345.49	4.66	-90.60
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(Cl)=CC(F)=C3O)C=C2C1	REAL300000544636	0	36	-2.0	-97.07	343.45	4.64	-92.43
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(F)=C2O)C=C(C(=O)[O-])O1	REAL300000544637	0	32	-2.0	-95.32	321.48	2.77	-92.55
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)C)C=C1F	REAL300000544640	1	45	-2.0	-111.24	387.27	8.19	-103.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)C)C=C1F	REAL300000544643	1	41	-2.0	-118.95	355.79	6.90	-112.05
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(F)=C1	REAL300000544649	1	37	-2.0	-110.41	333.13	7.17	-103.24
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(F)=C1	REAL300000544651	1	34	-2.0	-106.58	320.83	6.13	-100.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2F)=C1	REAL300000544656	1	37	-2.0	-99.24	341.21	6.70	-92.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)C)C=C1F	REAL300000544664	1	44	-2.0	-118.90	378.08	7.65	-111.25
CC(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(F)=C1	REAL300000544665	0	40	-2.0	-107.05	360.61	7.49	-99.56
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2F)C=C(C(=O)[O-])O1	REAL300000544667	1	37	-2.0	-102.25	335.07	6.14	-96.11
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(F)=C1	REAL300000544679	1	34	-2.0	-101.24	319.90	6.23	-95.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2F)=C1F	REAL300000544681	1	40	-2.0	-107.24	357.82	7.71	-99.53
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(F)=C1	REAL300000544682	1	37	-2.0	-95.90	337.53	7.09	-88.81
CC(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(F)=C1	REAL300000544688	0	38	-2.0	-106.51	336.33	5.59	-100.92
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(F)=C1	REAL300000544696	1	37	-2.0	-97.44	343.81	7.14	-90.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2F)C=C1C(=O)[O-]	REAL300000544698	1	40	-2.0	-111.65	349.13	7.69	-103.96
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2F)=C1	REAL300000544700	1	40	-2.0	-114.76	357.11	7.70	-107.06
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(F)=C1	REAL300000544710	0	42	-2.0	-100.50	375.33	9.21	-91.29
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(F)=C1	REAL300000544712	0	39	-2.0	-117.15	355.80	8.85	-108.30
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(F)=C1	REAL300000544713	1	37	-2.0	-113.90	335.70	7.03	-106.87
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(F)=C1	REAL300000544716	0	36	-2.0	-106.72	328.28	5.13	-101.59
CC(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(F)=C1	REAL300000544718	1	34	-2.0	-96.28	332.17	5.99	-90.29
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C=C2F)C=C(C(=O)[O-])O1	REAL300000544721	1	40	-2.0	-101.95	354.20	6.99	-94.96
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1	REAL300000544722	0	35	-2.0	-92.39	340.71	1.82	-90.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CC=C1F	REAL300000544723	0	28	-2.0	-109.92	289.24	3.26	-106.66
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)F)=C1	REAL300000544724	0	36	-2.0	-110.24	343.88	4.34	-105.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1	REAL300000544725	0	28	-2.0	-98.24	284.24	3.25	-94.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544726	0	28	-2.0	-112.45	284.70	3.23	-109.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)F)=C1	REAL300000544727	0	32	-2.0	-116.87	312.39	3.05	-113.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CC=C1Br	REAL300000544728	0	28	-2.0	-107.76	300.95	3.72	-104.04
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1	REAL300000544729	0	32	-2.0	-98.38	315.71	4.53	-93.85
CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000544730	0	31	-2.0	-113.41	300.72	3.76	-109.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1C	REAL300000544731	0	34	-2.0	-114.32	317.36	4.56	-109.76
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544732	0	28	-2.0	-108.54	289.73	3.30	-105.24
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1	REAL300000544733	0	34	-2.0	-97.54	327.82	4.83	-92.71
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544734	0	25	-2.0	-106.58	277.89	2.25	-104.33
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)F)=C1	REAL300000544735	0	31	-2.0	-112.45	299.68	4.01	-108.44
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1	REAL300000544736	0	32	-2.0	-96.94	315.33	3.52	-93.42
CN1C=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000544737	0	29	-2.0	-110.83	291.35	2.57	-108.26
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)F)=C1	REAL300000544738	0	32	-2.0	-112.92	308.46	2.05	-110.87
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544739	0	28	-2.0	-100.86	293.36	2.92	-97.94
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000544740	0	34	-2.0	-114.32	316.15	4.54	-109.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CS1	REAL300000544741	0	25	-2.0	-108.01	276.36	2.26	-105.75
COC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000544742	0	36	-2.0	-110.42	342.58	3.05	-107.37
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000544743	0	32	-2.0	-118.16	311.99	3.30	-114.86
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544744	0	38	-2.0	-116.88	339.94	5.86	-111.02
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)F)=C1	REAL300000544745	0	37	-2.0	-114.74	338.15	5.24	-109.50
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)F)=C1	REAL300000544746	0	34	-2.0	-110.96	314.40	4.96	-106.00
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)F)=C1	REAL300000544747	0	35	-2.0	-117.40	334.69	3.81	-113.59
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544748	0	30	-3.0	-184.52	312.66	3.80	-180.72
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544749	0	35	-2.0	-116.54	328.50	5.12	-111.42
CC1=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000544750	0	28	-2.0	-105.09	287.26	2.38	-102.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CC2=C1OCCO2	REAL300000544751	0	34	-2.0	-115.82	326.42	3.01	-112.81
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544752	0	32	-2.0	-110.94	313.17	2.34	-108.60
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=NNC(C(F)F)=C3)C=C2C1	REAL300000544753	0	36	-2.0	-99.63	338.34	3.85	-95.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CC(Cl)=C1Cl	REAL300000544754	0	28	-2.0	-99.90	311.93	4.09	-95.81
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1Cl	REAL300000544755	0	32	-2.0	-96.87	331.80	4.05	-92.82
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CC=C1OCC(=O)[O-]	REAL300000544756	0	35	-2.0	-98.89	335.86	4.22	-94.67
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1F	REAL300000544757	0	38	-2.0	-97.67	364.45	4.48	-93.19
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)F)=C1	REAL300000544758	0	31	-2.0	-102.82	304.96	4.05	-98.77
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CC=C1OCCCC(=O)[O-]	REAL300000544759	0	41	-2.0	-99.00	378.31	5.15	-93.85
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1F	REAL300000544760	0	32	-2.0	-97.84	322.00	3.58	-94.26
CCOC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000544761	0	35	-2.0	-118.83	333.84	4.20	-114.63
CC1=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000544762	0	28	-2.0	-109.58	293.33	3.12	-106.46
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544763	0	28	-2.0	-100.63	312.48	4.25	-96.38
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C(Cl)=C1	REAL300000544764	0	28	-2.0	-95.75	297.30	3.79	-91.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C(Br)=C1	REAL300000544765	0	28	-2.0	-95.27	300.65	3.94	-91.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1F	REAL300000544766	0	28	-2.0	-99.27	289.24	3.27	-96.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)S1	REAL300000544767	0	25	-2.0	-99.65	276.51	2.37	-97.28
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544768	0	28	-2.0	-102.06	290.66	3.30	-98.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1F	REAL300000544769	0	31	-2.0	-109.73	310.01	3.94	-105.79
COC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000544770	0	32	-2.0	-100.29	324.56	3.86	-96.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C(F)=C1	REAL300000544771	0	28	-2.0	-97.37	289.71	3.31	-94.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1Cl	REAL300000544772	0	28	-2.0	-97.37	297.21	3.63	-93.74
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)F)=C1	REAL300000544773	0	31	-2.0	-104.59	313.69	4.43	-100.16
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1	REAL300000544774	0	36	-2.0	-95.05	347.99	4.65	-90.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1Br	REAL300000544775	0	28	-2.0	-96.96	300.95	3.73	-93.23
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544776	0	30	-2.0	-95.34	312.45	3.91	-91.43
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544777	0	29	-2.0	-111.42	293.96	0.97	-110.45
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1	REAL300000544778	0	31	-2.0	-102.09	306.42	4.02	-98.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CC(Cl)=C1F	REAL300000544779	0	28	-2.0	-100.90	304.96	3.77	-97.13
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NNC(C(F)F)=C1	REAL300000544780	0	31	-2.0	-106.14	294.30	3.88	-102.26
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000544781	0	31	-2.0	-108.93	309.09	3.89	-105.04
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C(F)F)=C1	REAL300000544782	0	31	-2.0	-98.67	299.66	4.01	-94.66
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000544783	0	34	-2.0	-115.55	321.06	4.41	-111.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CC=C1[N+](=O)[O-]	REAL300000544784	0	30	-2.0	-110.53	311.26	4.33	-106.20
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544785	0	28	-2.0	-99.89	295.98	3.36	-96.53
CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000544786	0	34	-2.0	-110.46	318.74	4.62	-105.84
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000544787	0	31	-2.0	-109.43	305.73	3.84	-105.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1Cl	REAL300000544788	0	31	-2.0	-108.64	316.01	4.37	-104.27
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544789	0	31	-2.0	-114.48	309.27	3.93	-110.55
CCC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000544790	0	34	-2.0	-114.16	318.95	4.42	-109.74
COC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1CC(=O)[O-]	REAL300000544791	0	35	-2.0	-113.88	335.17	3.36	-110.52
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NNC(C(F)F)=C1	REAL300000544792	0	31	-2.0	-99.63	310.51	4.42	-95.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1C(F)(F)F	REAL300000544793	0	31	-2.0	-96.31	314.84	4.03	-92.28
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000544794	0	31	-2.0	-107.73	315.48	4.20	-103.53
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544795	0	28	-2.0	-103.91	305.55	3.85	-100.06
CCN1C=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000544796	0	32	-2.0	-112.04	312.72	3.45	-108.59
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C(C)=C1CC(=O)[O-]	REAL300000544797	0	40	-2.0	-109.94	349.17	6.08	-103.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C(F)C(Cl)=C1F	REAL300000544798	0	28	-2.0	-99.80	310.31	3.79	-96.01
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000544799	0	31	-2.0	-103.56	314.12	4.20	-99.36
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000544800	0	32	-2.0	-112.51	324.58	3.86	-108.65
CC1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000544801	0	31	-2.0	-101.47	304.77	3.88	-97.59
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C([N+](=O)[O-])=C1	REAL300000544802	0	33	-2.0	-103.19	327.52	5.43	-97.76
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NNC(C(F)F)=C1	REAL300000544803	0	31	-2.0	-109.84	304.21	4.04	-105.80
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1[N+](=O)[O-]	REAL300000544804	0	30	-2.0	-116.65	307.99	5.10	-111.55
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1F	REAL300000544805	0	28	-2.0	-114.00	287.91	3.27	-110.73
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000544806	0	31	-2.0	-101.89	305.42	3.81	-98.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=CC2=CC=CC=C21	REAL300000544807	0	34	-2.0	-118.20	325.30	5.37	-112.83
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C1	REAL300000544808	0	27	-2.0	-110.04	280.92	1.35	-108.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NNC(C(F)F)=C1	REAL300000544809	0	32	-2.0	-102.61	312.45	3.05	-99.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)=C(Cl)O1	REAL300000544810	0	25	-2.0	-98.67	284.39	2.21	-96.46
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=NNC(C(F)F)=C3)C=C2)CC1	REAL300000544811	0	35	-2.0	-104.86	330.38	5.13	-99.73
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=NNC(C(F)F)=C3)C=C2C1	REAL300000544812	0	35	-2.0	-108.50	329.69	5.13	-103.37
CCC1=C(S(=O)(=O)[N-]C2=NNC(C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000544813	0	31	-2.0	-105.02	306.39	3.23	-101.79
COC1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000544841	0	39	-2.0	-110.91	351.00	6.84	-104.07
COC1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000544866	0	37	-2.0	-109.34	324.23	4.93	-104.41
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC3)C3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300000544934	0	42	-2.0	-112.68	358.22	9.20	-103.48
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3(CC3)C3=CC=CC=C32)=C1	REAL300000544956	0	40	-2.0	-112.03	339.74	7.45	-104.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=CC=C1F	REAL300000544988	0	34	-2.0	-109.36	320.55	4.23	-105.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1	REAL300000544989	1	34	-2.0	-99.73	316.00	4.21	-95.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1	REAL300000544990	0	34	-2.0	-111.75	316.02	4.20	-107.55
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)C=C2	REAL300000544991	0	38	-2.0	-115.67	344.15	4.00	-111.67
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1	REAL300000544992	0	38	-2.0	-98.65	347.48	5.50	-93.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1C(=O)[O-]	REAL300000544993	1	37	-2.0	-114.33	336.09	4.85	-109.48
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1	REAL300000544994	0	34	-2.0	-106.23	329.09	4.77	-101.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=CC=C1Cl	REAL300000544995	0	34	-2.0	-107.65	328.52	4.60	-103.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1C	REAL300000544996	0	40	-2.0	-113.10	348.41	5.51	-107.59
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1	REAL300000544997	0	34	-2.0	-108.21	321.48	4.27	-103.94
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1	REAL300000544998	0	40	-2.0	-97.46	359.58	5.79	-91.67
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1	REAL300000544999	0	31	-2.0	-106.41	309.20	3.22	-103.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)C=C2	REAL300000545000	0	37	-2.0	-111.26	331.45	4.99	-106.27
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1	REAL300000545001	1	38	-2.0	-97.37	347.10	4.49	-92.88
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1C(=O)[O-]	REAL300000545002	0	35	-2.0	-110.27	322.67	3.55	-106.72
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)C=C2	REAL300000545003	1	38	-2.0	-111.78	339.80	3.03	-108.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1	REAL300000545004	0	34	-2.0	-102.75	325.13	3.89	-98.86
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1C(=O)[O-]	REAL300000545005	1	40	-2.0	-112.42	347.47	5.52	-106.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=CS1	REAL300000545006	0	31	-2.0	-107.70	307.67	3.24	-104.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1C(=O)[O-]	REAL300000545007	1	38	-2.0	-117.60	343.30	4.27	-113.33
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1	REAL300000545008	0	44	-2.0	-114.91	371.25	6.83	-108.08
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)C=C2	REAL300000545009	0	43	-2.0	-112.96	369.92	6.21	-106.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)C=C2	REAL300000545010	0	40	-2.0	-109.33	344.44	5.95	-103.38
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)C=C2	REAL300000545011	0	41	-2.0	-117.13	366.44	4.77	-112.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=CC(C(=O)[O-])=C1	REAL300000545012	0	36	-3.0	-189.82	344.42	4.77	-185.05
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2NC(=O)C=C3)=CC(C(=O)[O-])=C1	REAL300000545012	1	37	-2.0	-113.23	343.57	4.75	-108.48
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1	REAL300000545013	0	41	-2.0	-115.31	360.26	6.10	-109.21
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C(C(=O)[O-])O1	REAL300000545014	0	34	-2.0	-105.44	319.03	3.34	-102.10
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1	REAL300000545015	0	38	-2.0	-114.06	344.93	3.29	-110.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C(Cl)C=C1F	REAL300000545016	0	34	-2.0	-103.18	333.60	4.80	-98.38
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=CC=C1OCC(=O)[O-]	REAL300000545017	1	41	-2.0	-97.85	367.17	5.18	-92.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)C=C2	REAL300000545018	0	37	-2.0	-102.42	336.72	5.02	-97.40
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1F	REAL300000545019	0	38	-2.0	-97.03	353.31	4.55	-92.48
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1C(=O)[O-]	REAL300000545020	1	41	-2.0	-118.28	365.15	5.18	-113.10
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C(C(=O)[O-])S1	REAL300000545021	0	34	-2.0	-108.02	325.71	4.09	-103.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C(Cl)=C1	REAL300000545022	0	34	-2.0	-97.13	329.07	4.76	-92.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1F	REAL300000545023	0	34	-2.0	-99.44	320.53	4.24	-95.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)S1	REAL300000545024	0	31	-2.0	-101.55	308.28	3.33	-98.22
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1	REAL300000545025	0	34	-2.0	-102.87	322.42	4.27	-98.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1F	REAL300000545026	0	37	-2.0	-109.60	341.77	4.91	-104.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C(F)=C1	REAL300000545027	0	34	-2.0	-99.35	321.48	4.27	-95.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1Cl	REAL300000545028	0	34	-2.0	-97.37	328.50	4.61	-92.76
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)C=C2	REAL300000545029	0	37	-2.0	-103.97	345.46	5.41	-98.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=CC(F)=C1F	REAL300000545030	0	34	-2.0	-101.23	326.83	4.30	-96.93
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1	REAL300000545031	0	36	-2.0	-97.26	344.21	4.87	-92.39
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1	REAL300000545032	0	35	-2.0	-109.93	325.73	1.92	-108.01
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1	REAL300000545033	0	37	-2.0	-102.02	338.18	4.99	-97.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=CC(Cl)=C1F	REAL300000545034	0	34	-2.0	-102.57	336.72	4.73	-97.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)C=C2	REAL300000545035	0	37	-2.0	-108.89	326.05	4.83	-104.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=CC(C(=O)[O-])=C1F	REAL300000545036	0	37	-2.0	-110.76	340.85	4.86	-105.90
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)C=C2	REAL300000545037	1	37	-2.0	-99.63	331.43	4.98	-94.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=CC(C(=O)[O-])=C1C	REAL300000545038	1	40	-2.0	-114.81	348.89	5.27	-109.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=CC=C1[N+](=O)[O-]	REAL300000545039	0	36	-2.0	-110.50	342.57	5.30	-105.20
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1	REAL300000545040	0	34	-2.0	-100.44	327.75	4.33	-96.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C(C)=C1C(=O)[O-]	REAL300000545041	1	40	-2.0	-113.55	349.55	5.61	-107.94
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1C(=O)[O-]	REAL300000545042	0	37	-2.0	-110.50	341.33	4.90	-105.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1Cl	REAL300000545043	0	37	-2.0	-107.93	347.78	5.34	-102.59
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1	REAL300000545044	0	37	-2.0	-117.86	341.05	4.90	-112.96
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1C(=O)[O-]	REAL300000545045	1	40	-2.0	-113.58	349.95	5.39	-108.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1CC(=O)[O-]	REAL300000545046	1	41	-2.0	-115.37	366.48	4.33	-111.04
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)C=C2	REAL300000545047	0	37	-2.0	-102.15	342.28	5.39	-96.76
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=CC(C(=O)[O-])=C1Cl	REAL300000545048	0	37	-2.0	-109.42	347.24	5.16	-104.26
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1C(=O)[O-]	REAL300000545049	0	38	-2.0	-111.55	344.04	4.42	-107.13
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1C(=O)[O-]	REAL300000545050	0	37	-2.0	-105.27	345.88	5.17	-100.10
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=CC=C1C(=O)[O-]	REAL300000545051	1	37	-2.0	-99.87	332.02	4.75	-95.12
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)C=C2	REAL300000545052	1	37	-2.0	-109.11	335.55	5.03	-104.08
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1[N+](=O)[O-]	REAL300000545053	0	36	-2.0	-120.01	339.74	6.05	-113.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1F	REAL300000545054	0	34	-2.0	-117.01	319.65	4.23	-112.78
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C1C(=O)[O-]	REAL300000545055	0	37	-2.0	-103.67	337.18	4.78	-98.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=CC2=CC=CC=C21	REAL300000545056	0	40	-2.0	-120.02	357.06	6.32	-113.70
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C1	REAL300000545057	0	33	-2.0	-107.61	313.00	2.27	-105.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1NC(=O)C=C2	REAL300000545058	0	38	-2.0	-103.46	344.22	4.00	-99.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)=C(Cl)O1	REAL300000545059	0	31	-2.0	-99.71	316.12	3.17	-96.54
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3NC(=O)C=C4)C=C2)CC1	REAL300000545060	0	41	-2.0	-105.22	362.14	6.09	-99.13
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3NC(=O)C=C4)C=C2C1	REAL300000545061	0	41	-2.0	-110.14	360.11	6.06	-104.08
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2NC(=O)C=C3)C=C(C(=O)[O-])O1	REAL300000545062	0	37	-2.0	-104.87	338.14	4.19	-100.68
CC1=CC(O)=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000545065	0	29	-2.0	-99.06	310.22	2.60	-96.46
CC1=CC([O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000545065	1	28	-3.0	-172.98	306.65	3.35	-169.63
CC1=CC(O)=C(Br)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000545066	1	33	-2.0	-103.19	323.68	2.94	-100.25
CC1=CC(O)=C(Br)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000545067	1	29	-2.0	-100.31	308.68	2.62	-97.69
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=C(O)C=C2C)C=C(C(=O)[O-])O1	REAL300000545068	0	32	-2.0	-99.12	320.04	2.72	-96.40
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=C([O-])C=C2C)C=C(C(=O)[O-])O1	REAL300000545068	1	31	-3.0	-171.68	316.47	3.47	-168.21
CC1=CC(O)=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000545069	0	29	-2.0	-94.25	309.30	2.72	-91.53
CC1=CC([O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000545069	1	28	-3.0	-166.68	305.72	3.46	-163.22
CC1=CC(O)=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000545070	0	31	-2.0	-102.56	314.00	1.65	-100.91
CC1=CC([O-])=C(Br)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000545070	1	30	-3.0	-178.00	309.68	2.45	-175.55
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000545071	0	38	-2.0	-104.25	352.95	6.31	-97.94
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000545072	0	38	-2.0	-93.81	348.41	6.30	-87.51
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000545073	0	38	-2.0	-105.75	348.42	6.29	-99.46
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000545074	0	42	-2.0	-111.40	376.55	6.08	-105.32
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000545075	0	42	-2.0	-93.23	379.88	7.58	-85.65
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000545076	0	41	-2.0	-106.90	364.44	6.81	-100.09
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000545077	0	38	-2.0	-101.44	361.49	6.86	-94.58
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000545078	0	38	-2.0	-102.60	360.93	6.67	-95.93
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000545079	0	44	-2.0	-109.03	381.09	7.63	-101.40
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000545080	0	38	-2.0	-103.31	353.88	6.34	-96.97
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000545081	0	44	-2.0	-92.45	392.00	7.87	-84.58
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000545082	0	35	-2.0	-100.90	341.61	5.30	-95.60
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000545083	0	41	-2.0	-106.75	363.85	7.06	-99.69
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000545084	0	42	-2.0	-91.78	379.50	6.57	-85.21
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000545085	0	39	-2.0	-105.05	355.07	5.63	-99.42
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000545086	0	42	-2.0	-107.39	372.20	5.13	-102.26
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000545087	0	38	-2.0	-96.54	357.53	5.96	-90.58
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000545088	0	44	-2.0	-108.04	379.88	7.60	-100.44
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000545089	0	35	-2.0	-102.44	340.08	5.32	-97.12
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000545090	0	42	-2.0	-112.64	375.71	6.36	-106.28
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000545091	0	47	-2.0	-108.89	402.29	8.29	-100.60
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000545092	0	44	-2.0	-104.75	370.91	7.76	-96.99
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000545093	0	45	-2.0	-112.59	398.84	6.85	-105.74
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000545094	0	40	-3.0	-182.24	376.83	6.85	-175.39
CCCOC1=C(F)C=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000545094	1	41	-2.0	-105.12	376.80	6.79	-98.33
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000545095	0	45	-2.0	-109.96	392.67	8.18	-101.78
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000545096	0	38	-2.0	-99.33	351.43	5.42	-93.91
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000545097	0	42	-2.0	-107.45	377.34	5.38	-102.07
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000545098	0	45	-2.0	-92.23	399.58	7.27	-84.96
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000545099	0	41	-2.0	-97.47	369.13	7.10	-90.37
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000545100	0	45	-2.0	-112.14	397.57	7.26	-104.88
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000545101	0	38	-2.0	-103.21	358.11	6.17	-97.04
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000545102	0	38	-2.0	-91.38	361.47	6.86	-84.52
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000545103	0	38	-2.0	-93.32	352.93	6.32	-87.00
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000545104	0	35	-2.0	-95.41	340.68	5.42	-89.99
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000545105	0	38	-2.0	-96.77	354.84	6.36	-90.41
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000545106	0	41	-2.0	-104.80	374.18	6.99	-97.81
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000545107	0	38	-2.0	-93.54	353.88	6.36	-87.18
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000545108	0	38	-2.0	-91.38	360.91	6.68	-84.70
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000545109	0	38	-2.0	-95.87	359.25	6.38	-89.49
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000545110	0	40	-2.0	-91.09	376.61	6.96	-84.13
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000545111	0	39	-2.0	-105.02	358.14	3.98	-101.04
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000545112	0	41	-2.0	-98.54	370.60	7.06	-91.48
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000545113	0	41	-2.0	-102.23	358.46	6.92	-95.31
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000545114	0	41	-2.0	-104.69	373.25	6.94	-97.75
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000545115	0	41	-2.0	-93.82	363.83	7.06	-86.76
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000545116	0	44	-2.0	-109.85	381.89	7.37	-102.48
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000545117	0	40	-2.0	-105.25	374.98	7.38	-97.87
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000545118	0	38	-2.0	-94.79	360.16	6.41	-88.38
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000545119	0	44	-2.0	-106.73	381.95	7.70	-99.03
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000545120	0	41	-2.0	-105.60	373.74	6.99	-98.61
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000545121	0	41	-2.0	-111.28	373.46	6.98	-104.30
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000545122	0	44	-2.0	-107.51	382.74	7.47	-100.04
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000545123	0	45	-2.0	-106.87	398.90	6.41	-100.46
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000545124	0	42	-2.0	-105.52	376.37	6.49	-99.03
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000545125	0	41	-2.0	-94.01	364.43	6.83	-87.18
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000545126	0	41	-2.0	-104.55	367.96	7.12	-97.43
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000545127	0	40	-2.0	-112.48	370.58	8.08	-104.40
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000545128	0	38	-2.0	-110.50	352.06	6.31	-104.19
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000545129	0	41	-2.0	-98.47	369.59	6.86	-91.61
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000545130	0	37	-2.0	-102.70	345.41	4.35	-98.35
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000545131	0	42	-2.0	-97.86	376.62	6.08	-91.78
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000545132	0	35	-2.0	-94.11	348.52	5.25	-88.86
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000545133	0	45	-2.0	-100.51	393.01	8.12	-92.39
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000545134	0	45	-2.0	-104.08	392.51	8.15	-95.93
CCCOC1=C(F)C=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000545135	0	41	-2.0	-99.71	367.53	6.18	-93.53
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000545136	0	38	-2.0	-108.26	349.21	6.16	-102.10
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000545137	0	38	-2.0	-98.13	344.65	6.14	-91.99
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000545138	0	38	-2.0	-111.04	344.67	6.14	-104.90
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000545139	0	42	-2.0	-116.63	372.81	5.94	-110.69
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000545140	0	42	-2.0	-97.38	376.12	7.43	-89.95
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000545141	0	41	-2.0	-112.37	360.69	6.66	-105.71
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000545142	0	38	-2.0	-106.56	357.74	6.70	-99.86
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000545143	0	38	-2.0	-106.75	357.19	6.52	-100.23
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000545144	0	44	-2.0	-114.16	377.33	7.47	-106.69
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000545145	0	38	-2.0	-108.49	350.14	6.19	-102.30
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000545146	0	44	-2.0	-96.86	388.25	7.72	-89.14
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000545147	0	35	-2.0	-105.20	337.86	5.16	-100.04
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000545148	0	41	-2.0	-111.87	360.10	6.91	-104.96
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000545149	0	42	-2.0	-96.17	375.74	6.42	-89.75
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000545150	0	39	-2.0	-109.27	351.32	5.49	-103.78
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000545151	0	42	-2.0	-112.47	368.45	4.98	-107.49
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000545152	0	38	-2.0	-101.27	353.80	5.82	-95.45
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000545153	0	44	-2.0	-113.20	376.13	7.45	-105.75
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000545154	0	35	-2.0	-106.64	336.32	5.17	-101.47
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000545155	0	42	-2.0	-116.86	371.96	6.21	-110.65
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000545156	0	47	-2.0	-114.11	398.57	8.15	-105.96
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300000545157	0	44	-2.0	-109.85	374.79	7.86	-101.99
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000545158	0	45	-2.0	-117.14	395.10	6.70	-110.44
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000545159	0	40	-3.0	-187.38	373.07	6.71	-180.67
CCCOC1=CC=C(F)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000545159	1	41	-2.0	-110.44	373.11	6.66	-103.78
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000545160	0	45	-2.0	-116.36	388.92	8.04	-108.32
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000545161	0	38	-2.0	-104.55	347.67	5.28	-99.27
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000545162	0	42	-2.0	-112.12	373.59	5.23	-106.89
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000545163	0	45	-2.0	-96.69	395.83	7.12	-89.57
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000545164	0	41	-2.0	-102.22	365.38	6.95	-95.27
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300000545165	0	45	-2.0	-117.48	393.82	7.12	-110.36
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000545166	0	38	-2.0	-108.02	354.36	6.02	-102.00
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000545167	0	38	-2.0	-95.50	357.72	6.71	-88.79
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000545168	0	38	-2.0	-97.51	349.19	6.18	-91.33
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000545169	0	35	-2.0	-99.92	336.92	5.26	-94.66
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000545170	0	38	-2.0	-101.72	351.09	6.20	-95.52
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000545171	0	41	-2.0	-110.02	370.42	6.85	-103.17
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000545172	0	38	-2.0	-97.67	350.13	6.21	-91.46
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000545173	0	38	-2.0	-95.64	357.17	6.53	-89.11
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000545174	0	38	-2.0	-99.66	355.49	6.23	-93.43
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000545175	0	40	-2.0	-95.77	372.87	6.80	-88.97
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000545176	0	39	-2.0	-110.64	354.38	3.83	-106.81
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000545177	0	41	-2.0	-101.94	366.86	6.92	-95.02
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000545178	0	41	-2.0	-107.03	354.71	6.77	-100.26
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000545179	0	41	-2.0	-109.68	369.50	6.79	-102.89
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000545180	0	41	-2.0	-98.11	360.09	6.91	-91.20
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000545181	0	44	-2.0	-114.32	378.13	7.21	-107.11
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000545182	0	40	-2.0	-108.88	371.24	7.22	-101.66
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000545183	0	38	-2.0	-99.92	356.40	6.27	-93.65
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000545184	0	44	-2.0	-111.60	378.20	7.54	-104.06
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000545185	0	41	-2.0	-110.90	369.99	6.83	-104.07
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000545186	0	41	-2.0	-116.08	369.71	6.82	-109.26
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000545187	0	44	-2.0	-112.97	378.99	7.32	-105.65
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000545188	0	45	-2.0	-112.72	395.14	6.26	-106.46
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000545189	0	42	-2.0	-110.56	372.61	6.35	-104.21
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000545190	0	41	-2.0	-98.31	360.68	6.69	-91.62
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000545191	0	41	-2.0	-109.26	364.21	6.98	-102.28
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000545192	0	40	-2.0	-118.20	368.40	7.99	-110.21
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000545193	0	38	-2.0	-115.15	348.30	6.17	-108.98
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000545194	0	41	-2.0	-102.69	365.83	6.71	-95.98
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000545195	0	37	-2.0	-108.32	341.64	4.20	-104.12
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000545196	0	42	-2.0	-102.45	372.87	5.94	-96.51
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000545197	0	35	-2.0	-98.43	344.77	5.11	-93.32
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000545198	0	45	-2.0	-104.74	390.79	8.02	-96.72
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000545199	0	45	-2.0	-107.72	388.75	8.00	-99.72
CCCOC1=CC=C(F)C=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000545200	0	41	-2.0	-104.33	366.79	6.13	-98.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3CCC(F)(F)CC3)=C2)=C1	REAL300000545202	1	44	-2.0	-107.76	378.62	8.92	-98.84
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(F)(F)CC3)=C2)C=C1C(=O)[O-]	REAL300000545203	1	45	-2.0	-106.17	385.27	8.28	-97.89
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CCC(F)(F)CC3)=C2)C=C(C(=O)[O-])O1	REAL300000545204	0	44	-2.0	-101.74	381.67	8.06	-93.68
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3CCC(F)(F)CC3)=C2)=C1	REAL300000545205	0	43	-2.0	-105.28	375.62	6.98	-98.30
CN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C(=O)N2CCC2)=N1	REAL300000545206	0	39	-2.0	-120.29	362.36	3.62	-116.67
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)N2CCC2)=N1	REAL300000545207	0	39	-2.0	-110.31	357.81	3.58	-106.73
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)N2CCC2)=N1	REAL300000545208	0	39	-2.0	-122.94	357.83	3.58	-119.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N1CCC1	REAL300000545209	0	43	-2.0	-126.45	385.97	3.41	-123.04
CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C(=O)N2CCC2)=N1	REAL300000545210	0	43	-2.0	-108.81	389.29	4.87	-103.94
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)C=C1C(=O)[O-]	REAL300000545211	0	42	-2.0	-124.39	373.85	4.12	-120.27
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C(=O)N2CCC2)=N1	REAL300000545212	0	39	-2.0	-116.58	370.91	4.14	-112.44
CN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(=O)N2CCC2)=N1	REAL300000545213	0	39	-2.0	-118.79	370.34	3.98	-114.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)=C1C	REAL300000545214	0	45	-2.0	-123.32	390.23	4.88	-118.44
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C(=O)N2CCC2)=N1	REAL300000545215	0	39	-2.0	-118.75	363.30	3.64	-115.11
CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C(=O)N2CCC2)=N1	REAL300000545216	0	45	-2.0	-107.84	401.40	5.17	-102.67
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C(=O)N2CCC2)=N1	REAL300000545217	0	36	-2.0	-117.16	351.02	2.61	-114.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N1CCC1	REAL300000545218	0	42	-2.0	-121.28	373.26	4.37	-116.91
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C(=O)N2CCC2)=N1	REAL300000545219	0	43	-2.0	-107.66	388.90	3.86	-103.80
CN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)N2CCC2)=N1	REAL300000545220	0	40	-2.0	-121.54	364.48	2.93	-118.61
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N1CCC1	REAL300000545221	0	43	-2.0	-121.24	382.03	2.40	-118.84
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)=C1	REAL300000545222	0	39	-2.0	-113.35	366.94	3.27	-110.08
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)C=C1C(=O)[O-]	REAL300000545223	0	45	-2.0	-122.61	389.28	4.89	-117.72
CN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C(=O)N2CCC2)=N1	REAL300000545224	0	36	-2.0	-118.61	349.49	2.63	-115.98
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)C=C1C(=O)[O-]	REAL300000545225	0	43	-2.0	-129.06	385.11	3.65	-125.41
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N1CCC1	REAL300000545226	0	45	-2.0	-117.89	386.37	5.29	-112.60
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)C=C(C(=O)[O-])O1	REAL300000545227	0	39	-2.0	-115.08	360.84	2.73	-112.35
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)=C1	REAL300000545228	0	43	-2.0	-126.92	386.75	2.69	-124.23
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N1CCC1	REAL300000545229	0	42	-2.0	-112.32	378.53	4.39	-107.93
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)C=C(C(=O)[O-])S1	REAL300000545230	0	39	-2.0	-117.92	366.45	3.50	-114.42
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C(=O)N2CCC2)=N1	REAL300000545231	0	39	-2.0	-107.69	370.89	4.13	-103.56
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C(=O)N2CCC2)=N1	REAL300000545232	0	39	-2.0	-109.64	362.34	3.62	-106.02
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C(=O)N2CCC2)=N1	REAL300000545233	0	36	-2.0	-112.03	350.08	2.72	-109.31
CN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C(=O)N2CCC2)=N1	REAL300000545234	0	39	-2.0	-113.82	364.25	3.64	-110.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)=C1F	REAL300000545235	0	42	-2.0	-120.42	383.59	4.28	-116.14
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C(=O)N2CCC2)=N1	REAL300000545236	0	39	-2.0	-110.12	363.28	3.65	-106.47
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(=O)N2CCC2)=N1	REAL300000545237	0	39	-2.0	-107.74	370.31	3.99	-103.75
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(C(=O)N2CCC2)=N1	REAL300000545238	0	39	-3.0	-223.71	363.97	2.19	-221.52
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C(=O)N2CCC2)=N1	REAL300000545238	1	40	-2.0	-119.10	367.55	1.30	-117.80
CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C(=O)N2CCC2)=N1	REAL300000545239	0	42	-2.0	-112.38	380.00	4.36	-108.02
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N1CCC1	REAL300000545240	0	42	-2.0	-120.95	367.87	4.22	-116.73
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)=CC(C(=O)[O-])=C1F	REAL300000545241	0	42	-2.0	-121.87	382.68	4.23	-117.64
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N1CCC1	REAL300000545242	0	42	-2.0	-109.78	373.25	4.35	-105.43
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)=CC(C(=O)[O-])=C1C	REAL300000545243	0	45	-2.0	-126.46	390.71	4.64	-121.82
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)C(C)=C1C(=O)[O-]	REAL300000545244	0	45	-2.0	-125.32	392.30	4.97	-120.35
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)C=C1C(=O)[O-]	REAL300000545245	0	42	-2.0	-121.16	383.15	4.27	-116.89
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)=C1	REAL300000545246	0	42	-2.0	-130.34	382.86	4.27	-126.07
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)C=C1C(=O)[O-]	REAL300000545247	0	45	-2.0	-125.16	392.12	4.76	-120.40
CCN1C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)C=C1C(=O)[O-]	REAL300000545248	0	43	-2.0	-122.95	385.85	3.81	-119.14
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)=CC=C1C(=O)[O-]	REAL300000545249	0	42	-2.0	-112.09	377.88	4.23	-107.86
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N1CCC1	REAL300000545250	0	42	-2.0	-118.75	377.36	4.44	-114.31
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C(=O)N2CCC2)=N1	REAL300000545251	0	39	-2.0	-129.35	361.47	3.60	-125.75
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)C=C1C(=O)[O-]	REAL300000545252	0	42	-2.0	-115.69	382.79	4.25	-111.44
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(=O)N2CCC2)=N1	REAL300000545253	0	38	-2.0	-120.94	354.05	1.72	-119.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)N1CCC1	REAL300000545254	0	43	-2.0	-114.39	386.03	3.39	-111.00
CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C(=O)N2CCC2)=N1	REAL300000545255	0	36	-2.0	-109.80	357.94	2.58	-107.22
CCC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCC2)C=C(C(=O)[O-])O1	REAL300000545256	0	42	-2.0	-114.01	379.95	3.59	-110.42
CC1=CC=C(O)C2=C1CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000545278	0	42	-2.0	-116.84	352.80	7.39	-109.45
CC1=CC=C(O)C2=C1CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000545296	0	40	-2.0	-111.86	327.04	5.13	-106.73
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300000545336	1	34	-2.0	-108.48	333.12	7.90	-100.58
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300000545338	1	31	-2.0	-105.24	320.83	6.86	-98.38
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300000545343	1	34	-2.0	-101.41	336.78	7.52	-93.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2Cl)S1	REAL300000545354	1	31	-2.0	-100.20	319.90	6.96	-93.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2Cl)=C1F	REAL300000545356	1	37	-2.0	-110.00	353.40	8.55	-101.45
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300000545360	0	35	-2.0	-107.00	331.79	6.39	-100.61
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300000545366	1	34	-2.0	-100.02	339.38	7.97	-92.05
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300000545369	1	37	-2.0	-115.98	352.66	8.54	-107.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2Cl)=C1F	REAL300000545374	1	34	-2.0	-115.09	331.28	7.86	-107.23
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300000545376	0	33	-2.0	-108.94	323.86	5.96	-102.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C=C2Cl)=C(Cl)O1	REAL300000545378	1	31	-2.0	-98.66	327.75	6.82	-91.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)=CC=C1F	REAL300000545380	1	33	-2.0	-97.26	331.53	5.91	-91.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)C=C1	REAL300000545381	1	33	-2.0	-87.76	326.97	5.89	-81.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)=C1	REAL300000545382	1	33	-2.0	-99.46	326.99	5.88	-93.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)C=C1C(=O)[O-]	REAL300000545383	1	36	-2.0	-100.43	343.01	6.42	-94.01
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)=C1	REAL300000545384	0	33	-2.0	-96.41	332.47	5.95	-90.46
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)=C1	REAL300000545385	0	30	-2.0	-94.06	320.17	4.92	-89.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(Cl)N=CC(F)=C2C=C1	REAL300000545386	1	36	-2.0	-100.07	342.42	6.68	-93.39
CN1C=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)C=C1C(=O)[O-]	REAL300000545387	0	34	-2.0	-97.93	333.64	5.24	-92.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)=CS1	REAL300000545388	0	30	-2.0	-95.44	318.64	4.93	-90.51
CC1=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)C=C(C(=O)[O-])O1	REAL300000545389	0	33	-2.0	-93.78	330.00	5.03	-88.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)C=C1F	REAL300000545390	1	33	-2.0	-87.51	331.51	5.92	-81.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)S1	REAL300000545391	0	30	-2.0	-89.34	319.26	5.01	-84.33
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)=C1	REAL300000545392	0	33	-2.0	-90.66	333.39	5.95	-84.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)C(F)=C1	REAL300000545393	0	33	-2.0	-87.07	332.45	5.96	-81.11
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)=C1	REAL300000545394	0	34	-2.0	-98.96	336.71	3.60	-95.36
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=C(Cl)N=CC(F)=C3C=C2)=C1	REAL300000545394	1	34	-2.0	-98.99	325.72	4.50	-94.49
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)C=C1	REAL300000545395	1	36	-2.0	-91.82	349.17	6.67	-85.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=C(Cl)N=CC(F)=C2C=C1	REAL300000545396	1	36	-2.0	-96.02	337.06	6.52	-89.50
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=C(Cl)N=CC(F)=C2C=C1	REAL300000545397	1	36	-2.0	-88.05	342.41	6.66	-81.39
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)C=C1C(=O)[O-]	REAL300000545398	0	37	-2.0	-99.16	355.00	6.12	-93.04
CC1=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)=CC=C1C(=O)[O-]	REAL300000545399	1	36	-2.0	-87.79	342.99	6.43	-81.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)=C1F	REAL300000545400	0	33	-2.0	-103.69	330.65	5.92	-97.77
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)=C1	REAL300000545401	0	32	-2.0	-96.22	323.97	3.95	-92.27
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(Cl)N=CC(F)=C3C=C2)C=C(C(=O)[O-])O1	REAL300000545402	0	36	-2.0	-93.55	349.12	5.88	-87.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1F	REAL300000545406	1	32	-2.0	-104.79	322.60	5.46	-99.33
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=C1	REAL300000545409	1	28	-2.0	-95.57	307.53	6.22	-89.35
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=C1	REAL300000545412	1	28	-2.0	-96.95	299.93	5.72	-91.23
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=C1	REAL300000545414	0	25	-2.0	-94.66	287.65	4.67	-89.99
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000545417	1	29	-2.0	-100.49	296.68	5.10	-95.39
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=C1	REAL300000545419	0	28	-2.0	-90.91	303.57	5.34	-85.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=CS1	REAL300000545421	1	25	-2.0	-97.92	281.68	4.77	-93.15
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1F	REAL300000545425	1	35	-2.0	-105.72	344.89	6.22	-99.50
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(F)=CC(Cl)=C2F)=C1	REAL300000545426	0	31	-2.0	-104.36	322.99	6.14	-98.22
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)C=C(C(=O)[O-])O1	REAL300000545428	1	28	-2.0	-94.13	297.47	4.79	-89.34
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=C1	REAL300000545429	1	32	-2.0	-101.38	323.44	4.74	-96.64
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)C=C(C(=O)[O-])S1	REAL300000545434	1	28	-2.0	-97.33	303.08	5.55	-91.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)C(Cl)=C1	REAL300000545435	1	28	-2.0	-85.97	307.51	6.22	-79.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)S1	REAL300000545437	0	25	-2.0	-89.81	286.71	4.79	-85.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=C1F	REAL300000545439	1	31	-2.0	-98.25	320.21	6.35	-91.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)C(F)=C1	REAL300000545440	1	28	-2.0	-87.63	299.92	5.73	-81.90
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=C1	REAL300000545444	1	30	-2.0	-87.34	318.22	6.41	-80.93
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=CC(Cl)=C2F)=C1	REAL300000545445	0	29	-2.0	-100.31	302.44	4.18	-96.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=CC=C1[N+](=O)[O-]	REAL300000545451	1	30	-2.0	-100.70	316.61	6.83	-93.87
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=C1	REAL300000545452	1	28	-2.0	-88.89	306.20	5.78	-83.11
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000545454	1	31	-2.0	-99.08	319.77	6.35	-92.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=C1Cl	REAL300000545455	1	31	-2.0	-97.10	326.24	6.79	-90.31
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=C1	REAL300000545456	1	31	-2.0	-105.23	319.47	6.35	-98.88
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000545461	1	32	-2.0	-101.58	318.06	5.96	-95.62
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=C1[N+](=O)[O-]	REAL300000545465	0	30	-2.0	-108.00	318.20	7.49	-100.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=C1F	REAL300000545466	1	28	-2.0	-104.64	298.10	5.68	-98.96
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=C1	REAL300000545469	0	27	-2.0	-99.84	286.25	3.87	-95.97
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(Cl)=C1F	REAL300000545470	1	32	-2.0	-92.17	322.66	5.45	-86.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)=C(Cl)O1	REAL300000545471	0	25	-2.0	-88.30	294.57	4.63	-83.67
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(Cl)=C2F)C=C(C(=O)[O-])O1	REAL300000545474	1	31	-2.0	-94.01	316.58	5.64	-88.37
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300000545475	1	45	-2.0	-91.08	396.23	4.12	-86.96
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000545476	1	38	-2.0	-107.52	344.30	5.56	-101.96
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)OC)C=C1	REAL300000545477	0	46	-2.0	-109.10	399.40	6.63	-102.47
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000545479	1	38	-2.0	-110.27	339.78	5.53	-104.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)OC)C=C1	REAL300000545480	0	42	-2.0	-116.37	367.91	5.33	-111.04
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000545481	1	42	-2.0	-97.10	371.22	6.84	-90.26
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000545483	0	38	-2.0	-103.48	352.83	6.11	-97.37
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000545484	1	38	-2.0	-105.94	352.28	5.92	-100.02
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300000545485	1	44	-2.0	-113.62	372.17	6.85	-106.77
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000545486	0	38	-2.0	-105.19	345.24	5.60	-99.59
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000545487	1	44	-2.0	-96.51	383.34	7.12	-89.39
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000545488	0	35	-2.0	-102.37	332.94	4.56	-97.81
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300000545489	1	41	-2.0	-111.68	355.20	6.32	-105.36
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000545491	1	39	-2.0	-108.54	346.42	4.90	-103.64
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300000545493	0	38	-2.0	-100.49	348.88	5.22	-95.27
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000545495	0	35	-2.0	-103.58	331.41	4.57	-99.01
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)OC)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000545496	1	46	-2.0	-110.63	398.06	5.35	-105.28
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1	REAL300000545498	1	48	-2.0	-115.71	395.00	8.17	-107.54
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300000545499	1	47	-2.0	-114.00	393.67	7.54	-106.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)OC)C=C1	REAL300000545500	1	44	-2.0	-107.27	369.90	7.26	-100.01
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(C)OC)C=C1	REAL300000545501	0	45	-2.0	-116.58	390.20	6.10	-110.48
COC(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000545502	0	41	-2.0	-108.83	374.73	5.98	-102.85
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000545502	1	40	-3.0	-185.63	368.18	6.11	-179.52
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000545503	1	45	-2.0	-113.15	384.00	7.44	-105.71
COC(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300000545504	0	38	-2.0	-104.17	342.80	4.68	-99.49
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1	REAL300000545505	1	44	-2.0	-115.05	381.94	5.31	-109.74
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300000545506	0	42	-2.0	-111.42	368.74	4.63	-106.79
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1	REAL300000545508	0	38	-2.0	-102.70	357.36	6.13	-96.57
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1	REAL300000545509	1	42	-2.0	-94.16	386.87	6.36	-87.80
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300000545511	1	41	-2.0	-101.89	360.48	6.36	-95.53
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300000545512	1	42	-2.0	-95.08	377.07	5.88	-89.20
COC(C)C1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300000545514	1	38	-2.0	-105.29	348.36	5.43	-99.86
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000545515	0	38	-2.0	-95.01	352.82	6.10	-88.91
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000545516	1	38	-2.0	-96.83	344.31	5.58	-91.25
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000545517	0	35	-2.0	-99.26	332.03	4.66	-94.60
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000545518	1	38	-2.0	-100.91	346.18	5.61	-95.30
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300000545519	0	41	-2.0	-109.37	365.54	6.25	-103.12
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(C)OC)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000545520	0	42	-2.0	-99.63	380.08	6.16	-93.47
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000545521	0	38	-2.0	-96.93	345.23	5.61	-91.32
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000545522	1	38	-2.0	-94.99	352.27	5.94	-89.05
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300000545523	1	41	-2.0	-103.68	369.21	6.74	-96.94
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1	REAL300000545524	1	46	-2.0	-93.89	403.51	6.95	-86.94
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000545525	1	38	-2.0	-99.01	350.60	5.63	-93.38
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000545526	1	40	-2.0	-95.04	367.96	6.21	-88.83
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000545527	0	39	-2.0	-110.72	349.48	3.25	-107.47
COC(C)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000545527	1	39	-2.0	-106.01	348.66	4.04	-101.97
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000545528	1	41	-2.0	-101.51	361.94	6.32	-95.19
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000545529	1	38	-2.0	-100.58	360.49	6.07	-94.51
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000545530	1	41	-2.0	-105.39	353.58	6.28	-99.11
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000545531	1	41	-2.0	-109.10	364.60	6.19	-102.91
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000545534	0	40	-2.0	-108.27	366.34	6.63	-101.64
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000545535	0	38	-2.0	-99.26	351.52	5.67	-93.59
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300000545537	0	41	-2.0	-106.35	361.24	6.14	-100.21
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300000545538	0	41	-2.0	-107.97	371.52	6.67	-101.30
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300000545539	0	41	-2.0	-115.02	364.79	6.23	-108.79
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300000545542	1	41	-2.0	-100.46	369.79	6.82	-93.64
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000545543	1	41	-2.0	-108.01	370.99	6.50	-101.51
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(C)OC)C=C2)C=C1C(=O)[O-]	REAL300000545544	1	42	-2.0	-109.88	367.79	5.76	-104.12
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000545546	1	41	-2.0	-104.86	373.55	6.60	-98.26
COC(C)C1=CC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1	REAL300000545547	0	47	-2.0	-107.53	389.21	7.68	-99.85
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C(C)OC)C=C2)C=C1C(=O)[O-]	REAL300000545548	0	42	-2.0	-111.76	380.09	6.17	-105.59
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300000545550	0	43	-2.0	-102.42	383.05	7.73	-94.69
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000545552	0	40	-2.0	-117.32	363.52	7.40	-109.92
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000545553	0	38	-2.0	-114.27	343.42	5.57	-108.70
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300000545554	1	41	-2.0	-102.92	364.73	6.21	-96.71
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300000545555	1	44	-2.0	-118.67	380.81	7.67	-111.00
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000545556	0	37	-2.0	-108.16	335.98	3.66	-104.50
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(C)OC)C=C1	REAL300000545557	0	42	-2.0	-101.99	367.97	5.34	-96.65
COC(C)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000545558	0	35	-2.0	-97.80	339.92	4.52	-93.28
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000545559	1	45	-2.0	-103.37	383.75	7.36	-96.01
COC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000545560	1	45	-2.0	-107.38	385.21	7.43	-99.95
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)OC)C=C2)C=C(C(=O)[O-])O1	REAL300000545561	0	41	-2.0	-104.19	361.89	5.54	-98.65
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000545562	0	44	-2.0	-89.56	390.13	3.28	-86.28
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000545563	0	37	-2.0	-105.60	338.18	4.73	-100.87
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1C	REAL300000545564	0	45	-2.0	-106.75	393.26	5.79	-100.96
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000545565	0	37	-2.0	-95.67	333.66	4.71	-90.96
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000545566	0	37	-2.0	-107.87	333.64	4.70	-103.17
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1C	REAL300000545567	0	41	-2.0	-113.48	361.79	4.50	-108.98
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000545568	0	41	-2.0	-95.44	365.12	5.99	-89.45
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000545569	0	40	-2.0	-109.16	349.69	5.23	-103.93
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000545570	0	37	-2.0	-103.70	346.71	5.27	-98.43
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000545571	0	37	-2.0	-104.04	346.15	5.09	-98.95
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000545572	0	37	-2.0	-99.40	359.21	5.64	-93.76
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000545573	0	43	-2.0	-110.80	366.75	6.03	-104.77
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000545574	0	37	-2.0	-105.16	339.12	4.76	-100.40
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000545575	0	43	-2.0	-94.73	377.24	6.27	-88.46
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000545576	0	34	-2.0	-102.23	326.83	3.71	-98.52
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000545577	0	40	-2.0	-108.92	349.08	5.48	-103.44
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000545578	0	41	-2.0	-94.13	364.74	4.98	-89.15
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000545579	0	38	-2.0	-106.49	340.32	4.04	-102.45
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000545580	0	41	-2.0	-109.25	357.85	3.51	-105.74
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2C)=C1	REAL300000545581	0	37	-2.0	-98.42	342.78	4.38	-94.04
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000545582	0	43	-2.0	-110.12	365.09	6.02	-104.10
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000545583	0	34	-2.0	-103.76	325.29	3.73	-100.03
COC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2C)=CC(C(=O)[O-])=C1OC	REAL300000545584	0	45	-2.0	-108.43	391.97	4.51	-103.92
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000545585	0	41	-2.0	-113.91	360.96	4.76	-109.15
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000545586	0	47	-2.0	-112.75	388.90	7.32	-105.43
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000545587	0	46	-2.0	-110.99	387.54	6.70	-104.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1C	REAL300000545588	0	43	-2.0	-107.21	363.79	6.42	-100.79
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1C	REAL300000545589	0	44	-2.0	-113.93	384.08	5.27	-108.66
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000545590	0	39	-3.0	-182.48	362.05	5.26	-177.22
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000545591	0	44	-2.0	-113.13	377.90	6.59	-106.54
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000545592	0	37	-2.0	-102.03	336.65	3.83	-98.20
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000545593	0	43	-2.0	-112.92	375.85	4.47	-108.45
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000545594	0	41	-2.0	-108.96	362.59	3.80	-105.16
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000545595	0	45	-2.0	-94.71	386.56	5.29	-89.42
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300000545596	0	37	-2.0	-97.64	361.32	5.55	-92.09
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000545597	0	37	-2.0	-100.54	351.24	5.28	-95.26
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000545598	0	41	-2.0	-92.78	380.74	5.52	-87.26
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000545599	0	44	-2.0	-94.68	384.82	5.68	-89.00
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300000545600	0	47	-2.0	-93.55	413.42	5.94	-87.61
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000545601	0	40	-2.0	-99.63	354.38	5.51	-94.12
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300000545602	0	50	-2.0	-94.82	427.28	6.60	-88.22
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000545603	0	41	-2.0	-93.67	370.94	5.05	-88.62
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000545604	0	44	-2.0	-114.53	382.78	5.67	-108.86
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000545605	0	37	-2.0	-105.47	342.29	4.60	-100.87
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000545606	0	37	-2.0	-97.46	361.87	5.72	-91.74
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000545607	0	37	-2.0	-93.30	346.70	5.26	-88.04
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000545608	0	37	-2.0	-95.23	338.21	4.74	-90.49
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000545609	0	34	-2.0	-97.22	325.93	3.82	-93.40
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000545610	0	37	-2.0	-98.94	340.09	4.75	-94.19
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000545611	0	40	-2.0	-106.53	359.39	5.40	-101.13
COC1=CC(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000545612	0	41	-2.0	-97.99	373.95	5.32	-92.67
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000545613	0	37	-2.0	-95.05	339.11	4.77	-90.28
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000545614	0	37	-2.0	-93.26	346.18	5.10	-88.16
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000545615	0	40	-2.0	-101.34	363.11	5.90	-95.44
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000545616	0	45	-2.0	-92.31	397.40	6.11	-86.20
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000545617	0	37	-2.0	-97.07	344.46	4.79	-92.28
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000545618	0	39	-2.0	-93.03	361.83	5.37	-87.66
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000545619	0	38	-2.0	-107.90	343.36	2.42	-105.48
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000545620	0	40	-2.0	-99.29	355.85	5.46	-93.83
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000545621	0	37	-2.0	-98.48	354.35	5.23	-93.25
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000545622	0	40	-2.0	-104.11	343.68	5.33	-98.78
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000545623	0	40	-2.0	-107.02	358.48	5.35	-101.67
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000545624	0	40	-2.0	-95.92	349.06	5.47	-90.45
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000545625	0	43	-2.0	-111.09	366.55	5.77	-105.32
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000545626	0	39	-2.0	-106.36	360.23	5.79	-100.57
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000545627	0	37	-2.0	-96.83	345.38	4.82	-92.01
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000545628	0	43	-2.0	-108.24	368.12	6.09	-102.15
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000545629	0	40	-2.0	-107.46	358.98	5.39	-102.07
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=C(Cl)C(C)=CC(C(=O)[O-])=C1	REAL300000545630	0	40	-2.0	-105.48	365.42	5.83	-99.65
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000545631	0	40	-2.0	-112.58	358.70	5.39	-107.19
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000545632	0	43	-2.0	-109.90	367.99	5.89	-104.01
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2C)C=C1CC(=O)[O-]	REAL300000545633	0	44	-2.0	-110.38	384.10	4.83	-105.55
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000545634	0	40	-2.0	-97.43	359.93	5.87	-91.56
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000545635	0	40	-2.0	-92.32	363.79	5.49	-86.83
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C(C)=C1	REAL300000545636	0	40	-2.0	-105.74	364.86	5.66	-100.08
CCN1C=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000545637	0	41	-2.0	-107.84	361.69	4.91	-102.93
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000545638	0	49	-2.0	-108.30	398.82	7.56	-100.74
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000545639	0	37	-2.0	-95.65	359.25	5.25	-90.40
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000545640	0	40	-2.0	-101.34	363.51	5.66	-95.68
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000545641	0	46	-2.0	-105.08	383.09	6.83	-98.25
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2C)C=C1C(=O)[O-]	REAL300000545642	0	41	-2.0	-109.31	373.97	5.33	-103.98
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000545643	0	40	-2.0	-95.78	349.68	5.24	-90.54
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000545644	0	42	-2.0	-100.05	376.90	6.90	-93.15
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000545645	0	40	-2.0	-106.35	353.59	5.51	-100.84
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000545646	0	39	-2.0	-114.68	357.39	6.56	-108.12
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000545647	0	37	-2.0	-111.74	337.31	4.72	-107.02
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000545648	0	40	-2.0	-99.67	354.81	5.27	-94.40
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000545649	0	43	-2.0	-116.18	374.71	6.82	-109.36
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000545650	0	36	-2.0	-105.64	329.86	2.82	-102.82
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C(C)C)N=C1C	REAL300000545651	0	41	-2.0	-100.00	361.87	4.50	-95.50
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000545652	0	34	-2.0	-95.94	333.75	3.68	-92.26
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000545653	0	44	-2.0	-102.38	379.78	6.58	-95.80
CC1=NN(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000545654	0	44	-2.0	-104.79	379.08	6.58	-98.21
CCC1=C(S(=O)(=O)[N-]C2=CN(C(C)C)N=C2C)C=C(C(=O)[O-])O1	REAL300000545655	0	40	-2.0	-101.90	355.77	4.68	-97.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=CC=C1F	REAL300000545656	1	31	-2.0	-95.86	313.18	6.00	-89.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1	REAL300000545657	1	31	-2.0	-86.96	308.63	5.98	-80.98
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C1	REAL300000545658	1	31	-2.0	-98.96	308.64	5.97	-92.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(C(F)F)=C1	REAL300000545659	0	35	-2.0	-103.13	339.31	5.81	-97.32
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1	REAL300000545660	1	35	-2.0	-87.14	340.09	7.26	-79.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000545661	1	34	-2.0	-98.81	324.66	6.50	-92.31
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C1	REAL300000545662	0	31	-2.0	-93.83	324.24	6.59	-87.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=CC=C1Cl	REAL300000545663	1	31	-2.0	-94.02	321.16	6.36	-87.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C1C	REAL300000545664	1	37	-2.0	-102.82	341.30	7.31	-95.51
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C1	REAL300000545665	0	31	-2.0	-95.03	316.64	6.08	-88.95
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1	REAL300000545666	1	37	-2.0	-86.34	352.21	7.56	-78.78
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C1	REAL300000545667	0	28	-2.0	-93.52	301.81	4.98	-88.54
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(C(F)F)=C1	REAL300000545668	1	34	-2.0	-99.17	326.60	6.81	-92.36
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1	REAL300000545669	1	35	-2.0	-85.79	339.71	6.25	-79.54
CN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000545670	0	32	-2.0	-96.43	317.81	5.36	-91.07
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C1	REAL300000545672	0	31	-2.0	-88.80	320.28	5.70	-83.10
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000545673	1	37	-2.0	-102.17	339.70	7.31	-94.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=CS1	REAL300000545674	0	28	-2.0	-94.04	302.82	5.06	-88.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000545675	1	35	-2.0	-104.91	335.93	6.04	-98.87
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(C(F)F)=C1	REAL300000545676	1	37	-2.0	-97.87	341.29	7.74	-90.13
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000545677	0	31	-2.0	-93.93	311.65	5.10	-88.83
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C1	REAL300000545678	0	35	-2.0	-99.01	337.61	5.06	-93.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(C(F)F)=C1	REAL300000545679	1	34	-2.0	-91.59	329.33	6.79	-84.80
CC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000545680	0	31	-2.0	-97.21	318.32	5.85	-91.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C(Cl)=C1	REAL300000545681	0	31	-2.0	-84.68	321.68	6.53	-78.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1F	REAL300000545682	1	31	-2.0	-86.82	313.16	6.01	-80.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)S1	REAL300000545683	0	28	-2.0	-88.21	300.91	5.10	-83.11
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C1	REAL300000545684	1	31	-2.0	-89.13	317.57	6.08	-83.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C1F	REAL300000545685	0	34	-2.0	-97.40	334.40	6.67	-90.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C(F)=C1	REAL300000545686	0	31	-2.0	-85.87	314.08	6.04	-79.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1Cl	REAL300000545687	1	31	-2.0	-84.61	321.14	6.37	-78.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=CC(F)=C1F	REAL300000545688	1	31	-2.0	-87.77	322.00	6.11	-81.66
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C1	REAL300000545689	0	32	-2.0	-98.14	320.88	3.73	-94.41
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(F)=C(F)C(C(F)F)=C2)=C1	REAL300000545689	1	32	-2.0	-98.58	309.88	4.62	-93.96
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1	REAL300000545690	1	34	-2.0	-90.55	330.81	6.75	-83.80
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(C(F)F)=C1	REAL300000545691	1	34	-2.0	-94.23	321.20	6.66	-87.57
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000545692	1	34	-2.0	-96.95	336.02	6.67	-90.28
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(C(F)F)=C1	REAL300000545693	1	34	-2.0	-87.68	324.04	6.74	-80.94
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000545694	1	37	-2.0	-101.92	348.66	7.22	-94.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C1	REAL300000545695	0	31	-2.0	-87.96	320.38	6.10	-81.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000545696	1	37	-2.0	-98.44	345.65	7.40	-91.04
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000545697	0	34	-2.0	-97.21	336.48	6.71	-90.50
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C1	REAL300000545698	0	34	-2.0	-101.63	333.66	6.66	-94.97
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000545699	1	37	-2.0	-99.53	342.60	7.15	-92.38
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000545700	0	35	-2.0	-97.59	339.19	6.23	-91.36
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000545701	1	34	-2.0	-86.97	324.65	6.51	-80.46
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(C(F)F)=C1	REAL300000545702	1	34	-2.0	-96.92	331.12	6.84	-90.08
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C1F	REAL300000545703	0	31	-2.0	-101.63	314.83	6.05	-95.58
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000545704	1	34	-2.0	-90.74	336.10	6.68	-84.06
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C1	REAL300000545705	0	30	-2.0	-96.14	304.86	4.09	-92.05
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=C(F)C(C(F)F)=C1	REAL300000545706	0	35	-2.0	-90.87	336.83	5.76	-85.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)=C(Cl)O1	REAL300000545707	0	28	-2.0	-87.44	308.78	4.95	-82.49
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=C(F)C(C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000545708	0	34	-2.0	-94.08	330.77	5.95	-88.13
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545709	1	46	-2.0	-115.98	400.48	8.41	-107.57
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000545712	0	40	-2.0	-120.20	354.19	8.04	-112.16
CC(C)CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000545713	0	43	-2.0	-106.76	377.47	7.39	-99.37
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000545714	0	39	-2.0	-103.11	357.54	6.39	-96.72
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000545715	1	41	-2.0	-108.89	361.65	8.31	-100.58
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000545716	1	41	-2.0	-105.68	366.47	8.15	-97.53
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000545717	0	40	-2.0	-109.05	367.92	8.34	-100.71
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000545718	0	41	-2.0	-117.85	348.75	8.05	-109.80
CC(C)CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000545719	0	43	-2.0	-121.81	375.74	8.39	-113.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1[N+](=O)[O-]	REAL300000545720	1	45	-2.0	-109.44	385.04	9.11	-100.33
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545721	0	43	-2.0	-107.41	361.85	5.59	-101.82
CC(C)CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000545723	0	43	-2.0	-107.16	372.49	8.24	-98.92
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545724	0	48	-2.0	-121.30	403.43	6.83	-114.47
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545727	0	42	-2.0	-102.53	358.73	6.71	-95.82
CC(C)CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000545728	0	43	-2.0	-100.61	372.62	8.25	-92.36
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000545728	1	42	-3.0	-179.01	374.15	8.31	-170.70
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000545729	1	40	-2.0	-102.98	358.39	7.88	-95.10
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545730	1	43	-2.0	-113.60	367.09	8.42	-105.18
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000545732	1	40	-2.0	-109.35	362.42	8.27	-101.08
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1	REAL300000545733	1	45	-2.0	-111.64	388.43	8.24	-103.40
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000545736	1	40	-2.0	-103.20	368.27	8.32	-94.88
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545737	1	45	-2.0	-122.31	386.18	8.14	-114.17
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545739	0	46	-2.0	-124.96	390.11	9.12	-115.84
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000545743	0	37	-2.0	-105.24	354.67	7.37	-97.87
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545745	0	44	-2.0	-117.88	366.15	7.75	-110.13
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1C(=O)[O-]	REAL300000545746	0	46	-2.0	-125.81	388.46	8.76	-117.05
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000545747	0	40	-2.0	-106.46	363.75	7.94	-98.52
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000545748	0	40	-2.0	-113.71	358.83	8.32	-105.39
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000545749	1	42	-2.0	-109.81	373.91	8.43	-101.38
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545750	1	45	-2.0	-110.27	389.40	9.21	-101.06
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300000545751	0	37	-2.0	-110.83	337.62	6.76	-104.07
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000545753	0	42	-2.0	-122.28	363.87	9.06	-113.22
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000545756	0	40	-2.0	-108.32	357.60	7.89	-100.43
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000545757	1	40	-2.0	-109.50	352.09	7.82	-101.68
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000545758	1	40	-2.0	-103.48	358.51	7.89	-95.59
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000545762	1	40	-2.0	-106.44	362.41	8.27	-98.17
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000545763	1	42	-2.0	-101.23	373.89	8.43	-92.80
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000545764	1	40	-2.0	-112.97	345.68	7.75	-105.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)S1	REAL300000545766	0	40	-2.0	-111.87	359.51	7.55	-104.32
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545767	0	44	-2.0	-112.75	390.68	8.07	-104.68
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000545768	0	42	-3.0	-176.70	379.63	8.38	-168.32
CC(C)CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000545768	1	43	-2.0	-96.85	373.43	7.75	-89.10
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545769	1	45	-2.0	-107.20	383.87	9.03	-98.17
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000545770	0	40	-2.0	-111.89	357.60	7.89	-104.00
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000545771	1	44	-2.0	-108.63	381.39	4.57	-104.06
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000545774	0	39	-3.0	-171.77	367.34	7.34	-164.43
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000545775	1	43	-2.0	-107.24	372.65	5.41	-101.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545777	0	46	-2.0	-120.17	378.51	8.83	-111.34
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545778	0	46	-2.0	-110.76	382.38	6.79	-103.97
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1	REAL300000545779	1	46	-2.0	-107.69	400.45	8.42	-99.27
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1	REAL300000545780	1	47	-2.0	-111.93	402.12	6.03	-105.90
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000545781	1	44	-2.0	-111.95	380.19	4.54	-107.41
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000545783	1	46	-2.0	-115.28	391.63	10.04	-105.24
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=CS1	REAL300000545784	0	43	-2.0	-121.71	385.22	8.06	-113.65
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000545789	0	40	-2.0	-116.75	351.17	7.82	-108.93
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545790	0	46	-2.0	-124.20	393.73	6.51	-117.69
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3CC(C)C)=C2N=C1	REAL300000545791	0	48	-2.0	-127.71	407.03	9.03	-118.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C(Cl)=C1	REAL300000545793	1	43	-2.0	-113.44	380.23	8.99	-104.45
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000545795	0	40	-2.0	-105.83	365.22	8.39	-97.44
CC(C)CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000545797	0	44	-2.0	-99.91	377.82	7.70	-92.21
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000545797	1	43	-3.0	-176.50	380.77	7.67	-168.83
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000545798	0	40	-2.0	-118.80	363.16	7.33	-111.47
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000545799	0	45	-2.0	-110.63	387.60	3.92	-106.71
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1	REAL300000545805	0	40	-2.0	-109.44	350.24	5.47	-103.97
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545806	1	45	-2.0	-100.38	380.39	9.18	-91.20
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=CN1C	REAL300000545808	0	48	-2.0	-111.09	409.57	5.41	-105.68
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545809	1	43	-2.0	-109.70	377.91	9.06	-100.64
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545812	0	42	-3.0	-167.07	383.21	8.00	-159.07
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000545813	1	41	-2.0	-102.60	381.90	8.56	-94.04
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000545814	1	41	-2.0	-103.26	381.93	8.56	-94.70
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000545815	1	44	-2.0	-117.30	384.01	8.12	-109.18
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000545817	0	40	-2.0	-113.25	367.35	8.32	-104.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1F	REAL300000545818	1	43	-2.0	-109.89	372.41	8.46	-101.43
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545820	0	43	-2.0	-116.95	372.60	8.48	-108.47
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545821	1	43	-2.0	-109.89	367.58	8.60	-101.29
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545823	0	45	-2.0	-124.81	379.28	10.01	-114.80
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545824	0	48	-2.0	-128.01	406.96	9.05	-118.96
CC(C)CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000545825	0	40	-2.0	-116.42	362.70	7.38	-109.04
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000545825	1	39	-3.0	-173.76	365.77	7.36	-166.40
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C2=CC=CN=C2C=C1	REAL300000545826	1	48	-2.0	-112.95	395.79	9.14	-103.81
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000545827	0	42	-2.0	-115.67	370.18	9.11	-106.56
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000545828	0	42	-2.0	-117.69	370.02	9.11	-108.58
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545831	0	44	-2.0	-114.79	368.03	6.58	-108.21
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545831	1	44	-2.0	-108.33	360.31	7.13	-101.20
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1	REAL300000545832	0	37	-2.0	-106.96	327.27	4.16	-102.80
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)S1	REAL300000545833	0	43	-2.0	-105.65	393.51	7.52	-98.13
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000545834	1	44	-2.0	-103.84	376.32	8.15	-95.69
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000545835	0	40	-2.0	-108.96	355.75	8.27	-100.69
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C(C(=O)[O-])O1	REAL300000545836	0	42	-3.0	-170.74	377.16	7.46	-163.28
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C(C(=O)[O-])O1	REAL300000545836	1	43	-2.0	-115.45	375.17	6.99	-108.46
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000545837	0	43	-2.0	-132.55	373.89	6.96	-125.59
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545838	0	50	-2.0	-121.30	417.16	9.13	-112.17
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000545839	0	42	-2.0	-126.62	371.64	9.38	-117.24
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000545840	0	47	-2.0	-109.51	401.41	9.03	-100.48
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000545841	0	39	-2.0	-103.35	347.09	6.04	-97.31
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545842	0	43	-2.0	-111.13	393.74	7.42	-103.71
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300000545843	1	45	-2.0	-113.38	381.85	8.19	-105.19
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C=N1	REAL300000545844	0	40	-2.0	-119.88	349.70	6.85	-113.03
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3CC(C)C)C=C12	REAL300000545846	0	44	-2.0	-102.63	385.44	4.73	-97.90
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000545847	0	40	-2.0	-101.13	356.78	6.44	-94.69
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000545848	0	40	-2.0	-114.02	357.46	7.88	-106.14
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C(F)=C1	REAL300000545849	0	44	-2.0	-115.35	383.67	7.34	-108.01
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000545850	0	46	-2.0	-118.11	388.77	7.40	-110.71
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=CN1C	REAL300000545851	0	43	-2.0	-121.29	369.33	6.63	-114.66
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000545852	0	44	-2.0	-113.07	375.85	8.03	-105.04
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=N1	REAL300000545853	0	43	-2.0	-109.57	371.77	6.32	-103.25
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545854	1	47	-2.0	-114.79	400.75	7.48	-107.31
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000545855	1	45	-2.0	-110.94	381.63	7.05	-103.89
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000545856	0	40	-2.0	-109.33	365.22	8.39	-100.94
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545859	0	40	-2.0	-107.54	346.04	4.80	-102.74
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545860	1	44	-2.0	-114.63	375.18	7.05	-107.58
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NN(C)C=C1	REAL300000545862	0	40	-2.0	-117.52	350.53	5.30	-112.22
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C	REAL300000545863	0	40	-2.0	-103.03	341.15	5.55	-97.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C(F)=C1	REAL300000545869	0	43	-2.0	-116.31	372.60	8.49	-107.82
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC=N1	REAL300000545871	0	37	-2.0	-116.89	322.16	5.31	-111.58
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)O1	REAL300000545872	0	43	-2.0	-104.73	380.40	6.71	-98.02
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000545873	0	45	-2.0	-127.82	385.63	8.38	-119.44
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000545874	0	40	-2.0	-103.96	363.87	7.94	-96.02
CC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C(C(=O)[O-])S1	REAL300000545875	0	43	-2.0	-118.01	380.73	7.75	-110.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C(C(=O)[O-])S1	REAL300000545875	1	42	-3.0	-175.80	382.78	8.21	-167.59
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545876	0	44	-2.0	-114.52	388.29	7.62	-106.90
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=CN=C1Cl	REAL300000545877	0	42	-2.0	-103.00	371.49	7.13	-95.87
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545878	0	46	-2.0	-119.96	403.81	5.35	-114.61
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545881	0	52	-2.0	-111.33	424.81	8.36	-102.97
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)SC=C1	REAL300000545882	0	40	-2.0	-110.81	349.14	7.73	-103.08
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1C	REAL300000545883	0	49	-2.0	-111.03	404.19	7.67	-103.36
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=CC=C1[N+](=O)[O-]	REAL300000545884	1	45	-2.0	-101.64	389.90	8.94	-92.70
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545887	1	44	-2.0	-110.12	381.96	8.93	-101.19
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545889	0	44	-2.0	-114.23	383.30	8.22	-106.01
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545890	1	44	-2.0	-104.72	372.78	8.88	-95.84
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000545893	0	41	-2.0	-108.26	371.99	8.21	-100.05
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3CC(C)C)C=C2O1	REAL300000545894	1	45	-2.0	-110.01	389.30	5.41	-104.60
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000545895	0	46	-2.0	-109.57	390.45	6.85	-102.72
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=N1	REAL300000545898	0	46	-2.0	-115.32	405.03	6.54	-108.78
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000545899	0	46	-2.0	-116.75	384.81	6.34	-110.41
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000545902	1	40	-2.0	-97.89	364.68	7.94	-89.95
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=CN1C	REAL300000545904	0	47	-2.0	-115.35	406.85	7.86	-107.49
CC(C)CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000545905	0	43	-2.0	-107.15	375.28	8.39	-98.76
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000545905	1	42	-3.0	-163.08	378.67	8.35	-154.73
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000545907	0	39	-3.0	-165.81	366.36	7.44	-158.37
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000545908	0	49	-2.0	-118.19	405.42	8.90	-109.29
CC(C)CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000545909	0	43	-2.0	-117.34	378.89	8.30	-109.04
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000545909	1	42	-3.0	-169.08	380.54	8.38	-160.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=CN1	REAL300000545910	0	44	-2.0	-111.76	384.24	6.26	-105.50
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000545911	0	42	-3.0	-163.82	379.62	8.38	-155.44
CC(C)CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000545911	1	43	-2.0	-104.41	373.40	7.75	-96.66
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545912	1	43	-2.0	-108.88	366.02	8.58	-100.30
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=CS1	REAL300000545913	0	43	-2.0	-111.55	392.96	7.45	-104.10
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)S1	REAL300000545914	0	42	-2.0	-108.50	369.91	6.35	-102.15
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000545915	1	44	-2.0	-118.61	387.91	8.93	-109.68
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545916	1	46	-2.0	-113.92	388.58	9.19	-104.73
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545917	1	43	-2.0	-109.47	373.49	8.49	-100.98
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545919	0	46	-2.0	-106.83	403.58	7.22	-99.61
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C(F)C=C1F	REAL300000545920	0	43	-2.0	-108.45	377.88	8.52	-99.93
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000545921	1	46	-2.0	-117.92	374.35	9.96	-107.96
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000545922	0	42	-2.0	-109.51	377.68	7.24	-102.27
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000545923	0	43	-3.0	-178.07	375.00	6.48	-171.59
CC(C)CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000545923	1	43	-3.0	-178.05	367.49	7.03	-171.02
CC(C)CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000545925	0	46	-2.0	-101.00	392.89	9.12	-91.88
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000545925	1	45	-3.0	-169.32	396.29	9.10	-160.22
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)O1	REAL300000545926	0	46	-2.0	-105.88	407.04	7.48	-98.40
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000545927	0	42	-2.0	-101.75	380.29	8.49	-93.26
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)SC=C1	REAL300000545929	0	41	-2.0	-120.02	362.70	6.18	-113.84
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000545930	0	43	-2.0	-113.43	375.40	8.15	-105.28
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3CC(C)C)C=CC=C2C=C1	REAL300000545931	0	48	-2.0	-129.45	407.20	8.99	-120.46
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545932	0	42	-2.0	-116.28	378.88	6.51	-109.77
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000545933	0	40	-2.0	-100.94	356.87	6.83	-94.11
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000545934	0	40	-2.0	-113.55	361.18	6.73	-106.82
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=CC(OC)=C1	REAL300000545935	1	48	-2.0	-115.25	404.67	6.36	-108.89
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000545936	0	41	-2.0	-114.14	356.19	6.68	-107.46
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000545937	0	41	-2.0	-103.45	367.91	5.59	-97.86
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)S1	REAL300000545938	0	39	-2.0	-108.32	354.22	5.58	-102.74
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545939	0	46	-2.0	-102.27	372.89	8.68	-93.59
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545941	0	46	-2.0	-108.65	382.23	8.91	-99.74
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300000545942	0	41	-2.0	-109.77	374.95	8.44	-101.33
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1F	REAL300000545943	0	43	-2.0	-111.71	377.88	8.53	-103.18
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000545946	0	46	-2.0	-119.09	391.13	8.14	-110.95
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=N1	REAL300000545947	0	45	-2.0	-103.76	396.40	6.58	-97.18
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545948	1	48	-2.0	-121.63	403.95	9.18	-112.45
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=N1	REAL300000545949	0	47	-2.0	-107.93	405.44	5.37	-102.56
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C([N+](=O)[O-])=N1	REAL300000545950	0	45	-2.0	-113.37	382.18	8.43	-104.94
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1C#N	REAL300000545952	0	44	-2.0	-120.53	382.89	8.55	-111.98
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000545953	0	49	-2.0	-112.14	418.68	9.40	-102.74
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545954	0	46	-2.0	-119.24	392.96	8.52	-110.72
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000545955	0	48	-2.0	-107.15	398.87	5.67	-101.48
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1F	REAL300000545956	0	43	-2.0	-115.92	364.37	8.55	-107.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=N1	REAL300000545957	1	46	-2.0	-105.66	394.72	5.38	-100.28
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000545958	0	47	-2.0	-120.07	386.78	7.95	-112.12
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1	REAL300000545959	1	47	-2.0	-112.56	400.75	7.49	-105.07
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545960	0	45	-2.0	-115.63	376.10	5.20	-110.43
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1Cl	REAL300000545961	0	43	-2.0	-114.51	377.50	8.90	-105.61
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C(C)O1	REAL300000545963	0	43	-2.0	-110.66	368.64	7.33	-103.33
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545965	1	47	-2.0	-111.31	391.99	7.78	-103.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)O1	REAL300000545967	0	40	-2.0	-111.26	350.28	6.58	-104.68
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545968	0	43	-2.0	-111.53	373.06	8.27	-103.26
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C2=NC=CC=C2C=C1	REAL300000545970	0	48	-2.0	-125.86	394.47	9.68	-116.18
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000545971	0	42	-2.0	-99.38	378.42	8.45	-90.93
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000545972	1	40	-2.0	-103.79	368.81	8.34	-95.45
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C(C)O1	REAL300000545973	0	46	-2.0	-107.35	403.50	7.31	-100.04
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000545974	0	39	-2.0	-103.53	357.44	6.46	-97.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)N=C1C	REAL300000545975	0	46	-2.0	-121.06	391.30	7.55	-113.51
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545976	0	43	-2.0	-114.04	380.23	8.99	-105.05
CCN1C=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1C(=O)[O-]	REAL300000545977	0	47	-2.0	-102.67	402.39	8.52	-94.15
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1C(=O)[O-]	REAL300000545977	1	46	-3.0	-177.93	402.18	8.53	-169.40
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545978	0	43	-2.0	-110.10	385.57	6.50	-103.60
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545979	0	52	-2.0	-111.73	425.17	8.31	-103.42
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000545980	0	40	-2.0	-115.59	356.96	8.71	-106.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C(Cl)=N1	REAL300000545981	0	42	-2.0	-110.86	375.53	7.08	-103.78
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545982	0	45	-2.0	-111.49	394.73	7.94	-103.55
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)S1	REAL300000545983	0	42	-2.0	-107.98	375.70	6.34	-101.64
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)S1	REAL300000545984	0	42	-2.0	-106.70	383.82	8.09	-98.61
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=CN=C1Cl	REAL300000545985	0	43	-2.0	-101.92	386.54	5.73	-96.19
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000545987	0	41	-2.0	-105.78	379.58	8.71	-97.07
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000545988	0	43	-2.0	-120.71	373.57	8.08	-112.63
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545989	0	45	-2.0	-108.49	395.64	6.62	-101.87
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545990	1	50	-2.0	-117.87	404.45	9.67	-108.20
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000545994	0	40	-2.0	-105.65	374.68	7.98	-97.67
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000545995	1	43	-2.0	-112.12	377.87	8.62	-103.50
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000545996	0	43	-2.0	-108.99	383.62	6.65	-102.34
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000545997	1	44	-2.0	-118.80	381.72	8.83	-109.97
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=CC=C1F	REAL300000545999	1	44	-2.0	-105.36	381.40	7.13	-98.23
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000546000	0	39	-2.0	-117.44	358.38	8.15	-109.29
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CO1	REAL300000546001	0	37	-2.0	-110.28	328.37	5.76	-104.52
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=NN1C	REAL300000546002	0	39	-2.0	-99.58	332.29	4.23	-95.35
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000546003	1	45	-2.0	-106.94	390.04	6.88	-100.06
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000546004	0	39	-2.0	-103.47	366.83	7.53	-95.94
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000546005	0	44	-2.0	-113.84	365.88	7.24	-106.60
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000546006	0	41	-2.0	-109.56	379.60	8.71	-100.85
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546008	0	48	-2.0	-124.52	394.34	8.39	-116.13
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546010	0	43	-2.0	-117.29	365.25	8.73	-108.56
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000546011	0	44	-2.0	-124.71	384.09	7.83	-116.88
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3CC(C)C)C=CC=C12	REAL300000546012	0	48	-2.0	-127.67	403.57	8.93	-118.74
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000546014	0	41	-2.0	-116.22	363.84	6.29	-109.93
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000546015	0	43	-2.0	-108.93	370.26	5.23	-103.70
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)S1	REAL300000546019	0	43	-2.0	-115.47	390.61	5.24	-110.23
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)S1	REAL300000546019	1	42	-3.0	-170.99	387.31	4.12	-166.87
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000546020	1	44	-2.0	-108.41	370.77	8.83	-99.58
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000546021	1	44	-2.0	-117.62	383.11	9.08	-108.54
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C(N)=NO1	REAL300000546023	0	41	-2.0	-102.08	353.19	5.13	-96.95
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546024	0	44	-2.0	-115.95	390.68	8.07	-107.88
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000546025	1	41	-2.0	-107.94	373.19	6.54	-101.40
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000546027	1	47	-2.0	-114.99	390.66	7.84	-107.15
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000546029	0	38	-2.0	-103.61	358.21	7.31	-96.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=N1	REAL300000546030	1	42	-2.0	-109.50	362.29	6.59	-102.91
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000546031	0	45	-2.0	-111.79	386.87	8.12	-103.67
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=CC=C1C#N	REAL300000546032	1	44	-2.0	-105.33	385.65	8.65	-96.68
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000546033	0	39	-2.0	-98.24	363.42	6.44	-91.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C(F)=C1	REAL300000546035	0	44	-2.0	-113.69	380.67	7.12	-106.57
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000546037	1	43	-2.0	-110.73	379.86	8.69	-102.04
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)N(C)N=C1	REAL300000546039	0	43	-2.0	-103.60	357.71	6.38	-97.22
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000546041	0	38	-2.0	-103.80	349.63	6.30	-97.50
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC=C1	REAL300000546042	1	37	-2.0	-108.97	336.75	6.66	-102.31
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=COC=C1	REAL300000546043	0	37	-2.0	-109.18	328.22	5.64	-103.54
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2CC(C)C)=CC=C1C(=O)[O-]	REAL300000546044	0	46	-2.0	-101.89	386.42	8.87	-93.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=N1	REAL300000546045	1	43	-2.0	-105.75	372.86	4.45	-101.30
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000546046	0	40	-2.0	-111.82	367.92	8.34	-103.48
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000546048	0	43	-2.0	-113.72	382.20	9.13	-104.59
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000546049	0	43	-2.0	-116.98	372.25	6.39	-110.59
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000546050	1	47	-2.0	-114.72	397.04	7.98	-106.74
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C=C3CC(C)C)C=C2C=C1	REAL300000546052	1	49	-2.0	-114.79	412.96	10.70	-104.09
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000546053	0	37	-2.0	-111.38	348.72	7.37	-104.01
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000546054	0	40	-2.0	-110.85	359.26	7.42	-103.43
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000546055	0	37	-2.0	-107.41	343.92	4.57	-102.84
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000546056	0	39	-2.0	-105.86	352.57	5.87	-99.99
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000546057	0	49	-2.0	-106.59	410.19	6.82	-99.77
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000546058	1	49	-2.0	-105.20	410.03	6.47	-98.73
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000546060	0	43	-2.0	-106.74	377.04	8.38	-98.36
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546061	0	45	-2.0	-120.63	385.94	7.33	-113.30
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000546062	0	39	-2.0	-104.69	354.18	6.05	-98.64
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000546066	0	37	-2.0	-114.70	343.93	6.80	-107.90
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000546067	1	41	-2.0	-102.71	372.39	8.19	-94.52
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NC=CN1	REAL300000546071	0	37	-2.0	-110.89	322.48	4.49	-106.40
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000546072	0	45	-2.0	-116.47	377.58	4.83	-111.64
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)S1	REAL300000546073	0	43	-2.0	-113.05	375.80	8.38	-104.67
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000546074	0	41	-2.0	-101.39	369.07	6.62	-94.77
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546075	1	42	-2.0	-102.09	364.44	7.09	-95.00
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=NN1C	REAL300000546079	0	43	-2.0	-111.08	366.32	5.99	-105.09
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546081	0	43	-2.0	-110.14	369.03	6.12	-104.02
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000546082	0	40	-2.0	-103.17	361.53	6.36	-96.81
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000546085	0	40	-2.0	-107.18	351.98	5.25	-101.93
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=CC=C1Cl	REAL300000546087	1	44	-2.0	-105.97	391.21	7.61	-98.36
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(N)=O)S1	REAL300000546088	0	44	-2.0	-121.37	397.27	4.39	-116.98
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000546089	0	42	-3.0	-180.34	370.65	8.43	-171.91
CC(C)CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000546089	1	43	-2.0	-129.18	371.46	7.72	-121.46
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000546090	0	42	-2.0	-122.38	376.88	7.18	-115.20
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000546091	1	45	-2.0	-113.95	376.71	7.76	-106.19
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546093	0	43	-2.0	-113.79	372.80	9.25	-104.54
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000546094	0	45	-2.0	-121.98	382.00	7.59	-114.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C(F)=C1	REAL300000546099	0	43	-2.0	-118.00	370.28	8.85	-109.15
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000546100	1	45	-2.0	-111.46	389.50	6.21	-105.25
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546102	0	44	-2.0	-116.23	380.35	7.61	-108.62
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1Cl	REAL300000546104	0	43	-2.0	-102.65	388.91	4.99	-97.66
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546105	0	39	-2.0	-101.67	332.61	5.71	-95.96
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=CC=C1Cl	REAL300000546106	1	43	-2.0	-106.15	376.32	9.02	-97.13
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000546107	1	46	-2.0	-121.20	393.75	8.74	-112.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C([N+](=O)[O-])S1	REAL300000546108	0	42	-2.0	-117.31	380.22	8.95	-108.36
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000546110	0	39	-2.0	-112.21	339.13	6.03	-106.18
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000546113	0	39	-2.0	-102.37	347.09	5.91	-96.46
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000546115	0	38	-2.0	-115.17	356.08	7.15	-108.02
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000546118	1	40	-2.0	-103.55	368.28	8.32	-95.23
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000546119	0	48	-2.0	-122.06	397.82	8.97	-113.09
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000546125	1	47	-2.0	-122.83	401.59	5.19	-117.64
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)N(C)N=C1	REAL300000546128	0	46	-2.0	-110.12	390.07	6.99	-103.13
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)N1C	REAL300000546130	0	43	-2.0	-107.88	359.99	6.96	-100.92
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)O1	REAL300000546133	0	46	-2.0	-105.25	398.28	7.29	-97.96
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000546134	0	43	-2.0	-107.82	380.59	7.42	-100.40
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000546135	0	39	-2.0	-106.56	363.03	6.36	-100.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C(F)=C1F	REAL300000546137	0	43	-2.0	-114.04	377.77	8.53	-105.51
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)OC=C1	REAL300000546138	0	43	-2.0	-118.68	377.82	7.22	-111.46
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000546139	0	42	-2.0	-123.43	372.73	6.73	-116.70
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C(C)=N1	REAL300000546140	0	52	-2.0	-108.95	422.46	8.49	-100.46
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000546141	0	41	-3.0	-175.03	365.52	6.61	-168.42
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546142	0	44	-2.0	-112.10	371.26	7.70	-104.40
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000546143	1	41	-2.0	-102.78	368.07	8.38	-94.40
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2NC=NC=C12	REAL300000546144	0	42	-2.0	-123.51	368.86	6.95	-116.56
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000546144	1	42	-2.0	-109.81	368.96	6.80	-103.01
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000546145	0	44	-2.0	-118.85	379.43	7.72	-111.13
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000546146	0	50	-2.0	-108.18	406.69	7.87	-100.31
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000546147	0	52	-2.0	-112.55	414.98	8.27	-104.28
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000546149	0	50	-2.0	-109.49	413.10	8.11	-101.38
CC(C)CC1=CC(C(=O)[O-])=CC=C1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000546151	0	41	-2.0	-100.89	345.50	6.53	-94.36
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000546151	1	41	-2.0	-110.45	353.03	5.98	-104.47
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546153	0	43	-2.0	-125.07	376.65	5.41	-119.66
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546154	0	46	-2.0	-110.11	384.45	6.78	-103.33
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1F	REAL300000546155	1	45	-2.0	-111.41	390.70	8.22	-103.19
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000546156	0	40	-2.0	-103.79	346.07	5.27	-98.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C(C#N)=C1	REAL300000546157	0	44	-2.0	-118.52	385.19	8.72	-109.80
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546158	0	44	-2.0	-119.19	372.66	9.16	-110.03
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000546160	1	47	-2.0	-115.06	404.61	9.87	-105.19
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000546162	0	40	-2.0	-101.88	364.93	3.55	-98.33
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NS1	REAL300000546164	0	36	-2.0	-104.56	332.39	5.46	-99.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C(C(N)=O)O1	REAL300000546167	0	44	-2.0	-111.41	385.20	3.37	-108.04
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000546169	0	40	-2.0	-117.33	356.07	7.76	-109.57
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000546171	1	45	-2.0	-117.66	369.68	8.07	-109.59
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000546172	0	47	-2.0	-112.94	407.10	7.96	-104.98
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000546173	0	41	-2.0	-114.03	371.47	8.17	-105.86
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=N1	REAL300000546174	0	39	-2.0	-112.36	339.64	4.23	-108.13
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000546175	0	47	-2.0	-109.57	395.59	7.44	-102.13
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000546176	0	47	-2.0	-104.96	387.32	7.78	-97.18
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000546177	0	50	-2.0	-105.02	410.31	8.51	-96.51
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1F	REAL300000546178	1	44	-2.0	-101.78	391.56	7.30	-94.48
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000546179	0	47	-2.0	-111.91	382.18	7.84	-104.07
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1F	REAL300000546180	0	44	-2.0	-109.93	386.83	7.19	-102.74
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546181	1	43	-2.0	-107.07	363.51	8.60	-98.47
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000546182	0	48	-2.0	-123.20	403.09	8.35	-114.85
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000546183	0	48	-2.0	-108.92	414.37	7.42	-101.50
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300000546184	1	48	-2.0	-113.48	409.03	10.13	-103.35
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546185	0	44	-2.0	-114.43	382.12	8.42	-106.01
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000546186	0	37	-2.0	-109.48	351.09	7.19	-102.29
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546187	0	45	-2.0	-125.97	387.42	7.34	-118.63
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546188	0	42	-2.0	-99.08	360.92	5.09	-93.99
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000546190	1	41	-2.0	-101.34	360.53	6.55	-94.79
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000546191	0	43	-2.0	-113.72	384.53	9.20	-104.52
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000546192	0	47	-2.0	-105.18	397.63	7.48	-97.70
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1OC	REAL300000546194	0	48	-2.0	-116.79	394.24	7.47	-109.32
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000546195	0	43	-2.0	-113.85	375.46	8.04	-105.81
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000546196	0	47	-2.0	-104.27	391.85	7.62	-96.65
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000546198	0	43	-2.0	-119.44	375.12	6.95	-112.49
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000546199	0	45	-2.0	-125.73	383.76	6.36	-119.37
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000546200	0	47	-2.0	-113.27	386.31	9.71	-103.56
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=CN=C1N	REAL300000546201	1	44	-2.0	-111.65	373.68	5.46	-106.19
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546202	0	40	-2.0	-107.67	356.12	3.85	-103.82
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)N=CN1	REAL300000546203	0	40	-2.0	-119.27	344.75	5.87	-113.40
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000546205	1	43	-2.0	-110.08	379.32	8.14	-101.94
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000546206	0	50	-2.0	-112.92	417.17	8.16	-104.76
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000546207	0	37	-2.0	-109.19	351.50	7.29	-101.90
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000546208	0	50	-2.0	-109.88	419.66	8.40	-101.48
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000546209	0	44	-2.0	-115.85	377.49	8.98	-106.87
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000546210	1	49	-2.0	-114.14	410.08	9.97	-104.17
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000546211	0	46	-2.0	-103.29	401.96	6.10	-97.19
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300000546212	0	41	-2.0	-112.97	355.16	8.13	-104.84
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000546213	0	47	-2.0	-107.52	385.51	7.50	-100.02
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000546216	0	49	-2.0	-102.84	387.90	7.82	-95.02
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000546217	0	49	-2.0	-110.46	410.18	7.47	-102.99
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000546218	0	47	-2.0	-101.87	385.56	6.76	-95.11
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000546219	1	51	-2.0	-109.33	419.95	8.58	-100.75
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000546220	1	43	-2.0	-112.23	373.67	8.57	-103.66
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000546221	0	43	-2.0	-104.67	367.87	5.98	-98.69
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000546224	1	43	-2.0	-121.20	361.67	8.90	-112.30
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000546226	0	41	-2.0	-111.20	378.33	8.60	-102.60
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000546227	1	47	-2.0	-113.96	394.91	9.86	-104.10
COC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=CS1	REAL300000546228	0	41	-2.0	-116.28	367.95	6.21	-110.07
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000546229	0	47	-2.0	-113.87	393.32	10.02	-103.85
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000546230	0	50	-2.0	-105.63	405.72	8.53	-97.10
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546231	0	49	-2.0	-105.88	405.60	7.67	-98.21
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000546233	0	45	-2.0	-118.95	383.69	6.29	-112.66
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)O1	REAL300000546234	0	43	-2.0	-110.17	366.93	7.52	-102.65
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000546235	0	40	-2.0	-104.21	369.54	6.98	-97.23
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546236	0	44	-2.0	-107.77	378.77	7.88	-99.89
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000546237	1	46	-2.0	-111.90	398.90	9.29	-102.61
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000546238	1	44	-2.0	-111.72	384.92	7.34	-104.38
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)S1	REAL300000546239	0	41	-2.0	-109.00	369.47	6.20	-102.80
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000546240	0	43	-2.0	-107.33	378.36	6.46	-100.87
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000546241	1	50	-2.0	-115.01	422.61	8.44	-106.57
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000546242	1	43	-2.0	-115.46	366.20	8.72	-106.74
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000546243	0	43	-2.0	-115.81	372.64	8.11	-107.70
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000546244	1	42	-2.0	-112.37	371.85	7.30	-105.07
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=N1	REAL300000546245	0	42	-2.0	-109.14	366.40	4.62	-104.52
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1Cl	REAL300000546246	0	43	-2.0	-106.82	377.54	6.69	-100.13
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000546247	0	37	-2.0	-104.28	340.60	6.54	-97.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C2=CC=CC=C12	REAL300000546248	1	49	-2.0	-120.99	404.40	10.60	-110.39
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000546251	0	44	-2.0	-112.20	389.46	9.07	-103.13
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000546252	0	40	-2.0	-109.45	345.43	6.59	-102.86
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=NN1	REAL300000546253	0	46	-2.0	-109.82	406.00	5.54	-104.28
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1OC	REAL300000546254	0	45	-2.0	-113.60	393.52	5.93	-107.67
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000546255	0	39	-2.0	-97.94	363.32	6.40	-91.54
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000546256	0	46	-2.0	-107.37	384.26	7.92	-99.45
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000546257	1	47	-2.0	-117.59	394.56	9.67	-107.92
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000546258	0	40	-2.0	-106.53	355.76	5.82	-100.71
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000546259	1	46	-2.0	-123.73	378.45	9.43	-114.30
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000546260	0	38	-2.0	-111.84	345.00	6.37	-105.47
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546261	0	42	-2.0	-103.60	373.40	7.15	-96.45
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C(C2CC2)=N1	REAL300000546262	0	50	-2.0	-104.61	413.34	8.47	-96.14
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000546265	0	37	-2.0	-107.54	334.65	6.27	-101.27
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000546266	0	37	-2.0	-105.96	354.50	7.27	-98.69
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000546267	0	48	-2.0	-104.68	393.12	5.66	-99.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C(C)=N1	REAL300000546270	1	46	-2.0	-104.85	379.74	5.15	-99.70
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546271	0	46	-2.0	-115.94	393.05	5.59	-110.35
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546272	0	43	-2.0	-110.08	388.40	5.43	-104.65
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C1C	REAL300000546273	1	46	-2.0	-105.69	388.15	5.32	-100.37
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000546274	0	49	-2.0	-109.86	413.08	7.86	-102.00
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546275	0	49	-2.0	-110.46	409.25	7.50	-102.96
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000546276	0	38	-2.0	-111.38	348.60	6.16	-105.22
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000546277	0	38	-2.0	-115.84	357.69	7.10	-108.74
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000546278	0	46	-2.0	-104.26	382.58	7.19	-97.07
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000546279	0	47	-2.0	-104.69	394.74	7.78	-96.91
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000546280	0	47	-2.0	-107.92	388.43	8.86	-99.06
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=NN1C(C)C	REAL300000546282	0	49	-2.0	-110.89	397.51	7.52	-103.37
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000546283	0	42	-2.0	-106.88	373.03	6.79	-100.09
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000546285	1	41	-2.0	-112.72	356.68	4.90	-107.82
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CSN=C1	REAL300000546286	0	36	-2.0	-102.89	331.34	5.36	-97.53
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000546287	0	44	-2.0	-121.59	393.58	7.03	-114.56
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C=C1CC(C)C	REAL300000546288	0	45	-2.0	-119.57	386.44	7.34	-112.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C2=NC=CC=C12	REAL300000546289	0	48	-2.0	-128.31	403.40	8.93	-119.38
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C(C(=O)[O-])O1	REAL300000546290	0	45	-3.0	-170.91	392.12	8.18	-162.73
CCC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C(C(=O)[O-])O1	REAL300000546290	1	46	-2.0	-115.09	395.59	7.80	-107.29
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)C=C(Cl)S1	REAL300000546291	1	40	-2.0	-106.09	370.94	8.16	-97.93
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=CN=CS1	REAL300000546292	0	36	-2.0	-106.32	327.50	5.03	-101.29
CC(C)CC1=CC(C(=O)[O-])=CC=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000546293	0	47	-2.0	-112.56	391.42	7.08	-105.48
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C=C2CC(C)C)=C1	REAL300000546294	0	43	-2.0	-116.95	372.60	8.48	-108.47
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546295	0	39	-2.0	-124.16	351.20	5.38	-118.78
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546296	0	36	-2.0	-122.59	335.76	4.60	-117.99
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300000546297	1	35	-2.0	-117.38	316.90	3.79	-113.59
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300000546299	0	30	-2.0	-127.19	289.48	4.22	-122.97
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000546300	0	33	-2.0	-109.56	313.74	3.67	-105.89
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000546300	1	32	-3.0	-169.75	314.45	3.65	-166.10
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300000546301	0	29	-2.0	-108.53	292.83	2.58	-105.95
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300000546302	0	31	-2.0	-115.86	301.82	4.34	-111.52
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300000546303	0	31	-2.0	-111.45	301.80	4.34	-107.11
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300000546304	0	30	-2.0	-114.89	303.21	4.52	-110.37
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300000546305	0	33	-2.0	-113.58	323.58	5.85	-107.73
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300000546306	0	31	-2.0	-126.32	299.06	4.23	-122.09
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1Br	REAL300000546307	0	33	-2.0	-113.31	320.47	5.13	-108.18
CC1=CC=CC(OC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C2)=C1	REAL300000546308	1	44	-2.0	-116.79	391.10	7.45	-109.34
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1Br	REAL300000546309	0	30	-2.0	-119.55	297.47	4.66	-114.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1NC(C)=O	REAL300000546310	0	41	-2.0	-132.12	365.06	2.26	-129.86
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300000546311	0	34	-2.0	-111.16	326.98	3.73	-107.43
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000546312	0	39	-3.0	-165.04	365.91	3.09	-161.95
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000546312	1	40	-2.0	-99.50	365.21	3.11	-96.39
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000546313	0	32	-3.0	-182.33	313.98	4.54	-177.79
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000546313	1	33	-2.0	-135.10	313.24	4.55	-130.55
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300000546314	1	45	-2.0	-122.64	358.25	7.14	-115.50
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300000546315	0	34	-2.0	-113.66	327.75	6.00	-107.66
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300000546316	0	39	-2.0	-117.19	343.80	3.89	-113.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1[N+](=O)[O-]	REAL300000546317	0	35	-2.0	-116.74	325.18	5.13	-111.61
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546318	0	40	-3.0	-186.96	369.05	5.60	-181.36
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546319	0	33	-2.0	-112.73	297.23	1.78	-110.95
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)S1	REAL300000546320	0	27	-2.0	-111.23	294.58	3.66	-107.57
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1Cl	REAL300000546321	0	36	-2.0	-115.14	340.70	6.46	-108.68
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546322	1	48	-2.0	-119.34	387.61	7.96	-111.38
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300000546323	0	46	-2.0	-118.28	382.82	7.75	-110.53
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300000546324	0	33	-2.0	-110.67	319.73	4.94	-105.73
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300000546325	0	40	-2.0	-121.27	343.70	6.43	-114.84
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000546326	0	33	-2.0	-106.57	308.68	4.53	-102.04
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000546326	1	32	-3.0	-170.24	309.43	4.52	-165.72
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546327	0	38	-2.0	-128.70	338.70	3.03	-125.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1OC	REAL300000546328	0	38	-2.0	-117.17	339.71	3.15	-114.02
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300000546329	0	37	-2.0	-121.29	326.53	5.85	-115.44
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546330	0	32	-2.0	-107.18	295.90	2.86	-104.32
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300000546331	0	30	-2.0	-109.54	312.91	4.92	-104.62
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000546332	0	32	-3.0	-186.22	309.44	4.51	-181.71
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000546332	1	33	-2.0	-98.33	308.79	4.52	-93.81
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300000546333	0	30	-2.0	-108.43	293.69	4.06	-104.37
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300000546334	0	30	-2.0	-115.56	310.84	5.03	-110.53
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300000546335	0	33	-2.0	-115.16	319.70	4.94	-110.22
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546336	0	33	-2.0	-120.40	302.39	4.61	-115.79
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300000546338	0	33	-2.0	-122.07	306.85	5.33	-116.74
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300000546339	0	33	-2.0	-108.77	332.87	5.36	-103.41
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300000546340	0	30	-2.0	-115.58	297.70	4.46	-111.12
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300000546341	0	33	-2.0	-114.88	332.85	5.52	-109.36
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546342	0	35	-2.0	-117.60	322.22	4.37	-113.23
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546343	0	36	-2.0	-121.14	317.87	5.39	-115.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C	REAL300000546344	1	36	-2.0	-121.20	319.40	5.14	-116.06
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300000546345	0	30	-2.0	-108.74	303.58	4.51	-104.23
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546346	0	35	-2.0	-129.35	321.46	4.33	-125.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C)=C1	REAL300000546347	1	36	-2.0	-120.30	317.87	5.39	-114.91
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546348	0	36	-2.0	-132.81	326.22	5.33	-127.48
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546349	0	39	-2.0	-113.17	357.62	5.54	-107.63
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300000546350	0	30	-2.0	-116.51	309.29	4.98	-111.53
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1[N+](=O)[O-]	REAL300000546351	0	36	-2.0	-115.83	336.50	4.69	-111.14
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300000546352	0	42	-2.0	-118.88	357.19	6.26	-112.62
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300000546353	0	39	-2.0	-118.92	341.21	5.87	-113.05
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546354	0	42	-2.0	-118.75	359.66	6.53	-112.22
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300000546355	0	41	-2.0	-117.17	376.55	1.94	-115.23
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546356	0	36	-3.0	-194.63	337.57	4.31	-190.32
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000546357	0	36	-3.0	-171.00	340.90	5.80	-165.20
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000546357	1	37	-2.0	-103.87	340.19	5.82	-98.05
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300000546358	0	30	-2.0	-119.85	304.58	5.27	-114.58
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300000546359	0	27	-2.0	-111.13	289.95	3.56	-107.57
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546360	0	39	-2.0	-119.04	345.38	6.16	-112.88
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546361	0	34	-2.0	-126.96	309.24	3.74	-123.22
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)[O-]	REAL300000546362	0	36	-2.0	-135.15	324.78	5.05	-130.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)[O-]	REAL300000546362	1	35	-3.0	-187.82	325.46	5.03	-182.79
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546363	0	41	-2.0	-125.72	365.59	2.62	-123.10
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300000546364	0	30	-2.0	-111.56	299.04	4.13	-107.43
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300000546365	0	30	-2.0	-109.95	314.44	4.97	-104.98
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300000546366	0	30	-2.0	-120.36	294.11	4.51	-115.85
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1	REAL300000546367	0	30	-2.0	-115.57	302.27	4.57	-111.00
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300000546368	0	32	-2.0	-115.83	309.19	4.61	-111.22
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546369	0	35	-2.0	-117.50	324.68	5.39	-112.11
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300000546370	0	32	-2.0	-109.25	321.66	4.99	-104.26
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546371	1	34	-2.0	-117.05	310.48	3.24	-113.81
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300000546372	0	32	-2.0	-130.17	302.07	5.36	-124.81
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000546373	0	32	-3.0	-183.52	322.51	5.08	-178.44
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000546374	0	32	-3.0	-181.35	321.96	4.89	-176.46
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000546374	1	33	-2.0	-131.58	321.22	4.91	-126.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546375	1	33	-2.0	-119.68	302.39	4.62	-115.06
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546376	1	37	-2.0	-116.72	332.33	4.17	-112.55
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300000546377	0	30	-2.0	-114.11	292.88	4.07	-110.04
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300000546378	0	30	-2.0	-115.78	287.38	4.01	-111.77
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300000546379	0	30	-2.0	-109.12	293.80	4.08	-105.04
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1C	REAL300000546380	1	42	-2.0	-119.77	344.49	6.64	-113.13
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300000546381	0	36	-2.0	-119.14	325.47	3.10	-116.04
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C)=C1	REAL300000546382	1	39	-2.0	-119.93	332.81	6.31	-113.62
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546383	0	45	-2.0	-122.69	372.67	7.05	-115.64
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300000546384	0	30	-2.0	-112.41	297.72	4.46	-107.95
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1	REAL300000546385	0	30	-2.0	-112.35	302.28	4.57	-107.78
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300000546386	0	32	-2.0	-106.47	309.21	4.61	-101.86
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546387	0	37	-2.0	-125.21	337.36	2.82	-122.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000546388	0	30	-2.0	-118.13	294.80	3.74	-114.39
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300000546389	0	46	-2.0	-123.88	396.13	4.87	-119.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1C	REAL300000546390	0	38	-3.0	-191.55	341.83	5.82	-185.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)=C1C	REAL300000546390	1	39	-2.0	-136.37	342.01	5.82	-130.55
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546391	0	34	-2.0	-119.23	325.97	4.26	-114.97
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546392	0	33	-2.0	-116.63	317.75	5.35	-111.28
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300000546393	0	32	-2.0	-120.77	316.25	5.84	-114.93
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000546394	0	32	-3.0	-185.08	314.90	4.57	-180.51
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300000546395	0	27	-2.0	-110.50	303.82	4.09	-106.41
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300000546396	0	45	-2.0	-118.85	384.44	7.45	-111.40
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300000546397	0	35	-2.0	-113.17	319.22	5.22	-107.95
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300000546398	0	30	-2.0	-118.44	292.87	4.07	-114.37
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000546399	0	38	-3.0	-171.19	353.01	6.09	-165.10
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000546399	1	39	-2.0	-104.51	352.35	6.11	-98.40
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546400	0	40	-2.0	-124.96	357.65	3.65	-121.31
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300000546401	0	34	-2.0	-114.28	316.73	0.77	-113.51
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300000546402	1	37	-2.0	-116.36	351.90	4.63	-111.73
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546403	0	34	-2.0	-116.78	321.18	4.96	-111.82
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300000546404	0	35	-2.0	-115.58	323.09	2.40	-113.18
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300000546405	0	38	-2.0	-116.84	340.80	3.13	-113.71
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1OCC	REAL300000546406	0	44	-2.0	-117.28	383.41	4.99	-112.29
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300000546407	1	35	-2.0	-116.04	329.24	4.13	-111.91
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000546408	0	29	-3.0	-178.66	302.63	3.53	-175.13
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000546408	1	30	-2.0	-98.88	302.45	3.57	-95.31
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300000546409	0	33	-2.0	-113.71	312.73	1.45	-112.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546411	0	35	-3.0	-189.61	324.87	5.29	-184.32
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CN=C1C	REAL300000546411	1	36	-2.0	-134.75	324.34	5.31	-129.44
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546412	0	36	-2.0	-116.24	318.59	3.02	-113.22
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546413	0	38	-2.0	-121.25	357.60	0.11	-121.14
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1C	REAL300000546414	0	38	-2.0	-116.99	341.69	5.93	-111.06
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C2CC1C	REAL300000546415	0	44	-2.0	-126.40	375.35	5.51	-120.89
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546416	0	36	-2.0	-113.59	335.75	4.61	-108.98
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546417	0	37	-2.0	-117.97	337.42	2.22	-115.75
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300000546418	0	35	-2.0	-119.23	335.23	-1.10	-120.33
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300000546419	0	34	-2.0	-114.43	336.25	4.07	-110.36
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300000546420	0	41	-2.0	-125.65	358.78	5.06	-120.59
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)=CC=C21	REAL300000546421	0	44	-2.0	-129.59	372.54	5.50	-124.09
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546422	0	39	-2.0	-126.97	353.14	5.62	-121.35
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300000546423	0	34	-2.0	-117.90	315.49	0.72	-117.18
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)=CC=C21	REAL300000546424	0	41	-2.0	-127.19	361.56	5.06	-122.13
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546425	0	36	-2.0	-119.24	323.88	5.38	-113.86
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300000546426	0	36	-2.0	-122.13	326.92	6.22	-115.91
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=CS1	REAL300000546427	0	33	-2.0	-128.82	320.56	4.26	-124.56
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546428	0	40	-2.0	-118.06	357.55	4.45	-113.61
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C)=C1	REAL300000546429	1	40	-2.0	-116.69	340.56	4.93	-111.76
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000546430	0	37	-2.0	-104.76	339.84	4.81	-99.95
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000546430	1	36	-3.0	-169.67	340.52	4.78	-164.89
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C	REAL300000546431	1	44	-2.0	-119.48	386.02	4.18	-115.30
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300000546432	0	41	-2.0	-120.38	365.20	8.06	-112.32
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300000546433	0	42	-2.0	-119.36	362.14	6.63	-112.73
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300000546434	0	30	-2.0	-111.61	287.39	4.01	-107.60
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300000546435	0	30	-2.0	-123.48	286.48	4.00	-119.48
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)C2	REAL300000546437	0	35	-2.0	-115.29	336.10	2.96	-112.33
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C2=NC=CC=C12	REAL300000546438	0	35	-2.0	-114.54	323.36	4.46	-110.08
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546439	0	36	-2.0	-132.14	333.85	2.54	-129.60
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)=C2N=C1	REAL300000546440	0	38	-2.0	-135.74	342.32	5.22	-130.52
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546441	1	40	-2.0	-116.15	353.83	4.97	-111.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(Cl)=C1	REAL300000546442	0	33	-2.0	-119.86	315.52	5.18	-114.68
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300000546443	0	34	-2.0	-121.33	325.73	4.23	-117.10
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300000546444	0	36	-2.0	-115.20	331.72	1.17	-114.03
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300000546445	0	35	-2.0	-122.16	335.17	-1.10	-123.26
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300000546446	0	38	-2.0	-115.85	343.80	4.38	-111.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C([N+](=O)[O-])=C1	REAL300000546447	0	36	-2.0	-125.71	328.99	4.61	-121.10
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300000546448	0	36	-2.0	-114.49	337.54	0.93	-113.56
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300000546449	0	37	-2.0	-112.26	346.84	3.20	-109.06
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300000546450	0	35	-2.0	-111.98	328.66	5.46	-106.52
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300000546451	0	36	-2.0	-115.03	335.09	3.90	-111.13
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300000546452	0	34	-2.0	-113.25	326.97	3.73	-109.52
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300000546453	0	36	-2.0	-123.15	341.70	1.46	-121.69
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546454	1	33	-2.0	-112.17	302.86	4.79	-107.38
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546455	0	38	-2.0	-117.81	357.59	0.11	-117.70
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300000546456	0	40	-2.0	-122.45	350.84	7.81	-114.64
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300000546457	0	30	-2.0	-111.48	300.50	4.58	-106.90
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300000546458	0	42	-2.0	-125.10	366.91	3.29	-121.81
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(F)=C1	REAL300000546459	0	37	-2.0	-128.09	342.83	2.88	-125.21
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300000546460	0	36	-2.0	-125.38	341.69	1.46	-123.92
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300000546461	0	39	-2.0	-119.30	355.19	6.64	-112.66
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300000546462	0	41	-2.0	-122.02	376.56	1.94	-120.08
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1OC	REAL300000546464	0	38	-2.0	-118.86	345.18	3.22	-115.64
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1OC	REAL300000546465	0	41	-2.0	-118.40	355.15	3.92	-114.48
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000546466	0	33	-3.0	-183.21	316.09	3.85	-179.36
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000546466	1	34	-2.0	-99.27	315.94	3.88	-95.39
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300000546467	0	30	-2.0	-124.96	298.44	3.51	-121.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(Br)=C1	REAL300000546468	0	33	-2.0	-119.17	318.88	5.33	-113.84
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300000546469	0	35	-2.0	-116.23	322.92	0.11	-116.12
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CN=C1C	REAL300000546470	0	37	-2.0	-136.11	332.97	3.30	-132.81
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546470	1	36	-3.0	-190.10	333.22	3.35	-186.75
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546471	0	36	-2.0	-122.17	348.84	5.18	-116.99
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546472	1	41	-2.0	-118.69	365.96	3.44	-115.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1Cl	REAL300000546473	0	34	-2.0	-114.99	326.49	3.80	-111.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1F	REAL300000546474	0	34	-2.0	-114.68	316.69	3.31	-111.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C	REAL300000546475	1	37	-2.0	-117.96	330.54	3.98	-113.98
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C	REAL300000546476	1	40	-2.0	-117.73	352.40	4.91	-112.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(N)=O	REAL300000546477	0	37	-2.0	-113.33	331.56	1.40	-111.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(N)=O	REAL300000546478	0	38	-2.0	-114.75	342.79	1.32	-113.43
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546479	0	35	-2.0	-107.02	324.69	5.40	-101.62
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CN1C	REAL300000546481	0	38	-2.0	-116.83	344.86	1.60	-115.23
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546482	0	33	-2.0	-116.79	313.19	5.24	-111.55
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300000546483	1	43	-2.0	-116.22	373.93	5.66	-110.56
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=N2)C=C1	REAL300000546484	0	40	-2.0	-115.57	362.94	5.76	-109.81
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300000546486	0	41	-2.0	-117.88	356.48	4.08	-113.80
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C	REAL300000546487	1	40	-2.0	-117.61	352.28	4.74	-112.87
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C3=C2C1=CC=C3	REAL300000546488	0	38	-2.0	-117.97	344.52	3.80	-114.17
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546489	0	32	-3.0	-173.47	318.55	4.18	-169.29
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546489	1	33	-2.0	-113.45	318.40	4.24	-109.21
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300000546490	0	31	-2.0	-107.98	317.19	4.75	-103.23
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300000546491	0	31	-2.0	-108.59	317.21	4.75	-103.84
CC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)[O-]	REAL300000546492	0	39	-2.0	-136.06	340.51	5.86	-130.20
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)[O-]	REAL300000546492	1	38	-3.0	-191.47	340.89	5.83	-185.64
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300000546493	0	34	-2.0	-123.61	319.34	4.31	-119.30
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C2=CC=CN=C12	REAL300000546494	0	39	-2.0	-121.05	346.28	3.74	-117.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1Cl	REAL300000546495	0	33	-2.0	-116.24	316.44	5.05	-111.19
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300000546496	0	30	-2.0	-119.32	302.65	4.51	-114.81
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300000546497	0	30	-2.0	-110.87	303.86	4.73	-106.14
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1OC(C)C	REAL300000546498	1	43	-2.0	-117.81	370.33	5.53	-112.28
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546499	0	36	-2.0	-112.73	337.45	4.40	-108.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C2=CC=CC=C12	REAL300000546500	0	40	-2.0	-125.15	350.34	5.62	-119.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1F	REAL300000546501	0	33	-2.0	-116.01	307.70	4.65	-111.36
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546502	0	33	-2.0	-113.07	313.19	5.23	-107.84
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300000546503	0	30	-2.0	-111.14	321.32	5.77	-105.37
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546504	0	33	-2.0	-123.72	307.87	4.67	-119.05
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546505	0	33	-2.0	-117.09	302.86	4.79	-112.30
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCCl)C=C1	REAL300000546506	0	36	-2.0	-118.10	341.03	6.01	-112.09
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546507	0	35	-2.0	-131.17	319.37	6.29	-124.88
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300000546508	0	38	-2.0	-119.21	346.28	3.19	-116.02
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300000546509	0	34	-2.0	-112.72	327.57	5.73	-106.99
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300000546510	0	40	-2.0	-128.58	352.78	3.81	-124.77
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300000546511	1	44	-2.0	-116.35	375.63	6.16	-110.19
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546512	0	38	-2.0	-136.08	342.25	5.23	-130.85
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300000546513	1	46	-2.0	-115.90	392.89	6.27	-109.63
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546514	1	40	-2.0	-120.21	366.84	4.86	-115.35
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000546515	0	29	-3.0	-180.72	301.09	3.54	-177.18
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000546515	1	30	-2.0	-98.61	301.69	3.57	-95.04
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1Cl	REAL300000546516	0	33	-2.0	-120.54	323.31	5.84	-114.70
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC(C(=O)[O-])=C1OC	REAL300000546517	0	40	-3.0	-185.33	367.76	4.32	-181.01
COC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)=CC(C(=O)[O-])=C1OC	REAL300000546517	1	41	-2.0	-98.48	367.00	4.34	-94.14
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546518	0	39	-2.0	-126.69	357.16	2.25	-124.44
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300000546519	0	32	-2.0	-106.09	322.33	5.19	-100.90
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)[O-]	REAL300000546520	0	37	-2.0	-141.72	335.98	4.60	-137.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)[O-]	REAL300000546520	1	36	-3.0	-192.22	336.73	4.58	-187.64
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C2=CC=CN=C2C=C1	REAL300000546521	0	38	-2.0	-119.73	331.07	5.33	-114.40
COC(=O)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546522	1	43	-2.0	-119.79	387.79	5.01	-114.78
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300000546523	0	27	-2.0	-118.42	293.28	3.52	-114.90
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1O	REAL300000546524	0	37	-2.0	-114.61	344.58	2.62	-111.99
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546525	0	43	-2.0	-127.62	384.67	3.74	-123.88
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300000546526	0	32	-2.0	-124.51	305.91	5.40	-119.11
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546527	0	44	-2.0	-129.71	391.13	2.74	-126.97
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000546528	0	42	-3.0	-194.43	364.67	7.14	-187.29
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000546528	1	43	-2.0	-136.86	364.41	7.12	-129.74
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000546529	0	41	-3.0	-193.23	363.34	6.52	-186.71
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000546529	1	42	-2.0	-135.11	359.85	6.44	-128.67
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300000546530	0	40	-2.0	-119.52	355.17	7.35	-112.17
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300000546531	0	32	-2.0	-125.37	314.37	5.32	-120.05
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546532	0	39	-2.0	-128.52	361.91	2.41	-126.11
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546533	0	41	-2.0	-128.91	371.72	3.62	-125.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C)=C1	REAL300000546534	1	37	-2.0	-117.48	325.93	4.02	-113.46
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C	REAL300000546535	1	40	-2.0	-119.21	345.58	4.78	-114.43
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300000546536	0	41	-2.0	-129.53	369.04	3.92	-125.61
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546537	0	34	-2.0	-121.53	312.08	2.32	-119.21
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546538	0	38	-3.0	-188.91	338.96	6.22	-182.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CN=C1C	REAL300000546538	1	39	-2.0	-134.27	341.83	6.17	-128.10
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300000546539	0	33	-2.0	-120.70	320.50	4.86	-115.84
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300000546540	0	43	-2.0	-125.41	380.82	7.78	-117.63
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546541	0	39	-3.0	-195.06	359.86	5.08	-189.98
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000546542	0	34	-4.0	-267.65	337.85	5.07	-262.58
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000546542	1	35	-3.0	-190.05	337.25	5.09	-184.96
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000546543	0	33	-2.0	-111.30	328.85	3.70	-107.60
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000546544	0	39	-3.0	-194.34	353.68	6.41	-187.93
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000546544	1	40	-2.0	-136.82	352.36	6.44	-130.38
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300000546545	0	36	-2.0	-121.77	346.07	1.49	-120.28
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C	REAL300000546546	0	38	-2.0	-129.50	341.16	6.58	-122.92
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300000546547	0	34	-2.0	-110.36	318.79	4.31	-106.05
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300000546548	0	30	-2.0	-116.12	295.89	4.29	-111.83
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000546549	0	40	-2.0	-126.87	377.07	2.87	-124.00
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000546550	0	40	-2.0	-116.72	374.46	2.92	-113.80
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C(C(=O)[O-])O1	REAL300000546551	0	32	-3.0	-178.32	312.45	3.65	-174.67
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300000546552	0	33	-2.0	-140.02	309.17	3.15	-136.87
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546553	0	36	-2.0	-124.78	341.23	4.66	-120.12
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546554	0	40	-2.0	-128.89	352.50	5.33	-123.56
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300000546555	0	33	-2.0	-108.14	325.30	5.00	-103.14
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546556	0	46	-2.0	-116.74	393.20	5.72	-111.02
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546557	1	46	-2.0	-115.82	396.83	6.53	-109.29
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300000546558	0	32	-2.0	-131.13	311.05	6.02	-125.11
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300000546559	0	35	-2.0	-129.61	329.31	4.11	-125.50
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C2=CC=CC=C12	REAL300000546560	0	43	-2.0	-124.67	372.20	6.55	-118.12
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000546561	0	38	-3.0	-190.98	351.61	4.28	-186.70
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000546561	1	39	-2.0	-137.21	350.90	4.30	-132.91
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300000546562	0	34	-2.0	-112.44	337.37	5.40	-107.04
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(Br)=C1	REAL300000546563	0	29	-2.0	-109.22	297.32	2.75	-106.47
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300000546564	1	38	-2.0	-121.37	354.53	0.65	-120.72
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546565	1	44	-2.0	-118.68	387.81	4.40	-114.28
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1F	REAL300000546566	0	36	-2.0	-128.96	347.16	1.53	-127.43
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300000546567	0	32	-2.0	-135.70	303.68	5.48	-130.22
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546568	0	36	-3.0	-185.25	338.36	3.60	-181.65
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000546569	0	41	-2.0	-117.46	361.69	5.13	-112.33
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000546569	1	40	-3.0	-172.00	362.37	5.10	-166.90
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300000546570	0	37	-2.0	-116.03	341.54	5.07	-110.96
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300000546571	0	40	-2.0	-115.94	366.94	5.53	-110.41
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300000546572	1	44	-2.0	-117.47	392.24	7.23	-110.24
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000546573	0	32	-3.0	-178.81	327.03	5.11	-173.70
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300000546574	0	29	-2.0	-108.99	282.40	2.23	-106.76
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300000546575	0	30	-2.0	-118.05	307.76	4.63	-113.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(F)(F)F	REAL300000546576	0	36	-2.0	-115.61	335.40	5.46	-110.15
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300000546577	0	40	-2.0	-115.65	361.23	4.85	-110.80
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546578	0	33	-2.0	-117.06	329.03	3.62	-113.44
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546579	0	38	-2.0	-116.90	338.89	6.33	-110.57
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300000546580	0	35	-2.0	-120.44	317.15	4.38	-116.06
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300000546581	0	36	-2.0	-119.52	353.82	4.70	-114.82
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300000546582	0	29	-2.0	-109.11	306.13	3.09	-106.02
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)=CC=C1OCC(=O)[O-]	REAL300000546583	0	40	-2.0	-103.93	359.92	5.51	-98.42
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1OCC(=O)[O-]	REAL300000546583	1	39	-3.0	-170.12	360.58	5.49	-164.63
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C)=C1	REAL300000546584	1	40	-2.0	-117.20	347.79	4.95	-112.25
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C12	REAL300000546585	0	38	-2.0	-111.95	347.29	3.69	-108.26
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C12	REAL300000546586	0	34	-2.0	-107.27	320.72	0.93	-106.34
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300000546587	0	30	-2.0	-107.03	296.94	2.46	-104.57
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300000546588	0	39	-2.0	-121.21	362.53	6.79	-114.42
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300000546589	0	30	-2.0	-120.03	292.76	4.08	-115.95
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(F)=C1	REAL300000546590	0	34	-2.0	-121.92	318.97	3.52	-118.40
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546591	0	36	-2.0	-126.21	344.69	5.82	-120.39
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300000546592	0	32	-2.0	-124.35	316.24	5.85	-118.50
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000546593	0	35	-3.0	-178.32	329.74	5.35	-172.97
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000546593	1	36	-2.0	-124.58	329.66	5.34	-119.24
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300000546594	0	36	-2.0	-125.10	324.11	3.59	-121.51
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CN1C	REAL300000546595	0	33	-2.0	-127.60	305.36	2.88	-124.72
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000546596	0	36	-3.0	-168.21	346.73	4.85	-163.36
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000546596	1	37	-2.0	-110.15	346.07	4.87	-105.28
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300000546597	0	34	-2.0	-121.67	318.99	4.00	-117.67
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546598	0	39	-2.0	-122.23	357.64	5.52	-116.71
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=N1	REAL300000546599	0	33	-2.0	-115.09	307.06	2.52	-112.57
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546600	0	42	-2.0	-112.72	379.11	6.33	-106.39
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300000546601	0	38	-2.0	-109.13	350.65	1.36	-107.77
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546602	0	37	-2.0	-121.83	336.04	3.66	-118.17
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546603	0	36	-2.0	-126.30	334.37	5.37	-120.93
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300000546604	0	38	-2.0	-125.18	346.55	4.51	-120.67
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300000546605	0	33	-2.0	-117.57	325.19	5.01	-112.56
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300000546606	0	33	-2.0	-112.86	313.25	5.39	-107.47
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300000546607	0	30	-2.0	-116.10	313.06	4.04	-112.06
CCOC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)[O-]	REAL300000546608	0	40	-2.0	-142.37	357.83	5.50	-136.87
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)[O-]	REAL300000546608	1	39	-3.0	-192.92	358.58	5.48	-187.44
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300000546609	0	35	-2.0	-117.19	316.95	3.24	-113.95
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1F	REAL300000546610	0	39	-2.0	-110.76	362.19	5.54	-105.22
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300000546611	0	30	-2.0	-115.61	300.51	4.59	-111.02
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C2)=CO1	REAL300000546612	0	39	-2.0	-121.50	357.38	3.00	-118.50
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300000546614	1	38	-2.0	-117.72	337.89	4.55	-113.17
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300000546615	0	34	-2.0	-111.76	325.28	0.79	-110.97
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546616	0	34	-2.0	-121.25	310.47	3.24	-118.01
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546617	0	33	-2.0	-120.64	296.04	4.74	-115.90
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000546618	0	36	-2.0	-123.05	343.87	2.11	-120.94
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000546618	1	35	-3.0	-179.84	340.57	0.98	-178.86
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C(F)C=C1F	REAL300000546624	0	36	-2.0	-111.11	345.78	4.69	-106.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(F)=C1	REAL300000546625	0	33	-2.0	-122.87	307.89	4.68	-118.19
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1Cl	REAL300000546626	0	34	-2.0	-114.19	339.59	4.37	-109.82
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1F	REAL300000546627	0	33	-2.0	-112.14	307.69	4.64	-107.50
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)O1	REAL300000546628	0	33	-2.0	-111.04	320.52	2.74	-108.30
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300000546629	0	35	-2.0	-135.77	320.91	4.58	-131.19
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300000546630	0	36	-2.0	-123.14	347.41	4.63	-118.51
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300000546631	0	30	-2.0	-109.53	299.19	4.12	-105.41
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546632	0	42	-2.0	-121.27	368.32	2.90	-118.37
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C(C(=O)[O-])S1	REAL300000546633	0	32	-3.0	-183.94	319.13	4.39	-179.55
CC1=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)C=C(C(=O)[O-])S1	REAL300000546633	1	33	-2.0	-129.25	319.05	4.41	-124.84
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1C	REAL300000546634	0	39	-2.0	-120.76	345.30	5.27	-115.49
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546635	0	34	-2.0	-121.20	323.59	3.82	-117.38
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CN=C1Cl	REAL300000546636	0	32	-2.0	-109.16	311.64	3.17	-105.99
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546637	0	36	-2.0	-127.35	340.05	1.48	-125.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C)=C1C	REAL300000546638	1	40	-2.0	-118.68	341.61	4.64	-114.04
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546639	0	39	-2.0	-124.42	357.94	5.39	-119.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)N(C)C	REAL300000546641	0	44	-2.0	-117.23	383.63	3.50	-113.73
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C21	REAL300000546642	0	41	-2.0	-141.19	359.80	4.97	-136.22
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546643	0	42	-2.0	-116.97	360.17	4.57	-112.40
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)SC=C1	REAL300000546644	0	30	-2.0	-118.42	289.21	3.76	-114.66
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546645	0	36	-2.0	-115.53	352.49	5.11	-110.42
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1C	REAL300000546646	0	39	-2.0	-116.44	340.41	3.89	-112.55
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C	REAL300000546647	0	39	-2.0	-113.94	351.78	5.13	-108.81
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1[N+](=O)[O-]	REAL300000546648	0	35	-2.0	-107.02	325.20	5.13	-101.89
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300000546650	0	38	-2.0	-131.60	340.56	2.39	-129.21
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300000546651	0	39	-2.0	-133.66	366.02	2.15	-131.51
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546652	0	34	-2.0	-116.95	317.24	5.12	-111.83
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1F	REAL300000546653	0	37	-2.0	-125.31	341.90	2.95	-122.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1[N+](=O)[O-]	REAL300000546654	0	35	-2.0	-117.45	333.35	5.30	-112.15
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300000546655	0	42	-2.0	-119.24	333.14	6.63	-112.61
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300000546656	0	38	-2.0	-114.51	354.76	5.07	-109.44
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1C	REAL300000546657	0	40	-2.0	-136.78	355.87	3.75	-133.03
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C21	REAL300000546658	0	44	-2.0	-142.50	373.93	5.58	-136.92
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546659	0	34	-2.0	-120.57	318.65	4.41	-116.16
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546660	0	34	-2.0	-111.94	317.22	5.11	-106.83
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546661	0	42	-2.0	-118.40	342.85	7.41	-110.99
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300000546662	0	39	-2.0	-125.34	349.67	4.01	-121.33
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1OC	REAL300000546663	0	40	-2.0	-116.68	363.06	4.64	-112.04
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300000546664	0	31	-2.0	-113.92	307.28	4.41	-109.51
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300000546665	0	33	-2.0	-122.50	319.42	6.00	-116.50
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C2O1	REAL300000546666	0	35	-2.0	-115.88	324.62	1.61	-114.27
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300000546667	0	36	-2.0	-115.04	325.73	3.05	-111.99
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1S(N)(=O)=O	REAL300000546668	0	35	-2.0	-118.12	318.83	0.42	-117.70
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300000546669	0	35	-2.0	-119.17	321.95	4.33	-114.84
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=N1	REAL300000546670	0	36	-2.0	-121.16	340.33	2.72	-118.44
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300000546671	0	36	-2.0	-124.57	324.78	2.40	-122.17
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1[N+](=O)[O-]	REAL300000546672	0	33	-2.0	-120.03	320.25	5.72	-114.31
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=NN1C1=CC=CC=N1	REAL300000546673	0	39	-2.0	-120.84	353.18	5.34	-115.50
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300000546675	0	34	-2.0	-115.06	337.80	5.23	-109.83
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300000546676	0	30	-2.0	-102.74	299.97	4.12	-98.62
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300000546677	0	41	-2.0	-116.12	363.43	5.77	-110.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CN1C	REAL300000546679	0	37	-2.0	-121.31	342.14	4.05	-117.26
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546680	0	45	-2.0	-118.89	371.42	6.73	-112.16
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000546681	0	32	-3.0	-168.20	322.49	5.08	-163.12
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000546681	1	33	-2.0	-109.25	319.88	4.64	-104.61
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000546682	0	32	-3.0	-169.04	313.96	4.54	-164.50
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000546682	1	33	-2.0	-110.84	313.25	4.56	-106.28
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300000546683	0	38	-2.0	-111.89	347.46	3.34	-108.55
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300000546684	0	37	-2.0	-118.95	345.93	5.24	-113.71
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000546685	0	30	-2.0	-118.76	315.17	4.32	-114.44
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300000546686	0	30	-2.0	-109.11	308.00	4.61	-104.50
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546687	0	40	-2.0	-127.14	348.35	4.15	-122.99
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC(C)=C1F	REAL300000546688	0	36	-2.0	-112.84	328.01	5.28	-107.56
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300000546689	0	30	-2.0	-108.88	308.00	4.61	-104.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(Cl)=C1Cl	REAL300000546690	0	34	-2.0	-115.46	338.05	4.32	-111.14
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=N1	REAL300000546691	0	41	-2.0	-120.64	368.71	4.73	-115.91
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300000546692	0	33	-2.0	-112.35	325.79	2.03	-110.32
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000546693	0	29	-3.0	-172.21	301.70	3.63	-168.58
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000546693	1	30	-2.0	-111.95	301.52	3.68	-108.27
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300000546694	0	39	-2.0	-125.94	345.72	5.20	-120.74
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000546695	0	32	-3.0	-175.62	315.85	4.57	-171.05
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000546695	1	33	-2.0	-124.43	315.18	4.59	-119.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1F	REAL300000546696	0	35	-3.0	-186.63	335.20	5.21	-181.42
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)(C)C)C=C1	REAL300000546697	0	44	-2.0	-115.52	373.79	6.00	-109.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CN1	REAL300000546698	0	34	-2.0	-118.54	324.38	2.29	-116.25
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000546699	0	32	-3.0	-169.79	314.90	4.58	-165.21
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000546700	0	32	-3.0	-167.66	321.93	4.90	-162.76
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000546700	1	33	-2.0	-106.36	321.22	4.92	-101.44
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300000546701	0	33	-2.0	-115.34	301.36	4.77	-110.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1Br	REAL300000546702	0	33	-2.0	-116.35	320.47	5.14	-111.21
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1C	REAL300000546703	0	39	-2.0	-116.06	351.80	5.12	-110.94
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CS1	REAL300000546704	0	33	-2.0	-117.70	328.26	3.63	-114.07
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1F	REAL300000546705	0	36	-2.0	-110.50	340.32	4.62	-105.88
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000546706	0	32	-2.0	-116.08	307.48	2.44	-113.64
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300000546707	0	34	-2.0	-125.74	323.23	5.12	-120.62
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546708	0	38	-2.0	-105.96	339.34	6.29	-99.67
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1O	REAL300000546709	0	38	-2.0	-132.44	347.39	0.10	-132.34
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000546712	0	35	-3.0	-180.49	338.47	5.74	-174.75
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000546712	1	36	-2.0	-126.00	338.44	5.74	-120.26
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546713	0	36	-2.0	-116.41	335.20	5.73	-110.68
CC1=C(Br)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546714	0	30	-2.0	-111.79	314.17	4.26	-107.53
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546715	0	36	-2.0	-120.85	323.87	5.37	-115.48
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300000546716	0	33	-2.0	-115.25	336.62	5.89	-109.36
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546717	0	33	-2.0	-115.73	308.80	4.68	-111.05
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000546719	0	40	-3.0	-167.89	373.18	5.91	-161.98
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000546719	1	41	-2.0	-102.88	372.47	5.93	-96.95
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546720	0	36	-2.0	-112.17	338.87	3.41	-108.76
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300000546721	0	36	-2.0	-114.81	332.36	3.00	-111.81
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000546722	0	32	-3.0	-172.55	320.26	4.60	-167.95
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000546722	1	33	-2.0	-96.79	319.57	4.61	-92.18
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000546723	0	34	-3.0	-169.27	337.63	5.17	-164.10
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000546723	1	35	-2.0	-96.18	336.97	5.19	-90.99
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300000546724	0	33	-2.0	-119.91	334.32	5.83	-114.08
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546725	0	40	-2.0	-130.14	363.90	4.41	-125.73
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546726	0	42	-2.0	-124.65	367.75	5.93	-118.72
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300000546727	1	41	-2.0	-117.60	358.40	5.21	-112.39
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C(F)C=C1F	REAL300000546728	0	33	-2.0	-114.23	313.19	4.70	-109.53
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300000546729	0	36	-2.0	-127.42	332.75	7.01	-120.41
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300000546730	0	36	-2.0	-128.24	322.02	6.26	-121.98
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300000546731	0	32	-2.0	-115.30	312.97	3.44	-111.86
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1[N+](=O)[O-]	REAL300000546732	0	35	-2.0	-115.23	340.99	5.81	-109.42
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300000546733	0	34	-2.0	-107.39	337.62	5.12	-102.27
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000546734	0	37	-2.0	-121.40	358.83	3.05	-118.35
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300000546735	0	33	-2.0	-115.47	314.13	5.26	-110.21
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000546736	0	33	-3.0	-188.94	319.16	2.21	-186.73
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300000546737	0	40	-2.0	-124.27	336.28	6.57	-117.70
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546738	0	35	-2.0	-115.04	344.91	3.35	-111.69
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000546739	0	35	-3.0	-177.21	331.62	5.29	-171.92
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000546739	1	36	-2.0	-106.88	330.95	5.31	-101.57
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1Cl	REAL300000546740	0	37	-2.0	-119.17	350.87	3.46	-115.71
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)O1	REAL300000546741	0	36	-2.0	-111.16	342.39	3.67	-107.49
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300000546742	0	32	-2.0	-107.18	315.60	4.68	-102.50
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546743	0	35	-2.0	-130.06	336.81	5.01	-125.05
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300000546744	0	42	-2.0	-117.69	371.71	5.48	-112.21
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546745	0	35	-2.0	-111.15	336.72	5.78	-105.37
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300000546746	0	33	-2.0	-124.30	323.70	4.65	-119.65
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)SC=C1	REAL300000546747	0	31	-2.0	-128.73	303.15	2.24	-126.49
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546748	0	39	-2.0	-124.51	363.16	2.36	-122.15
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)OC2=CC=C(F)C=C12	REAL300000546749	0	36	-2.0	-116.10	337.76	5.04	-111.06
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300000546750	0	33	-2.0	-119.40	310.73	4.33	-115.07
CC1=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=CC=C2C=C1	REAL300000546751	0	38	-2.0	-137.65	342.48	5.18	-132.47
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C2=CC(Cl)=CC=C2S1	REAL300000546752	0	36	-2.0	-120.09	348.68	6.85	-113.24
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300000546753	0	41	-2.0	-114.44	364.29	3.45	-110.99
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C(Br)S1	REAL300000546754	0	30	-2.0	-112.24	312.15	4.45	-107.79
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300000546755	0	36	-2.0	-119.17	336.39	6.68	-112.49
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC(F)=C1F	REAL300000546756	0	36	-2.0	-105.09	346.59	4.69	-100.40
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)SC2=CC=CC(F)=C12	REAL300000546757	0	36	-2.0	-121.46	338.88	6.11	-115.35
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300000546758	0	31	-2.0	-109.10	323.11	4.95	-104.15
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1F	REAL300000546759	0	35	-2.0	-117.16	335.00	5.32	-111.84
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546760	0	32	-2.0	-122.32	314.22	2.71	-119.61
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=NC2=C1Cl	REAL300000546762	0	35	-2.0	-106.27	341.96	3.91	-102.36
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300000546763	0	30	-2.0	-122.76	300.61	4.88	-117.88
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300000546764	0	32	-2.0	-110.45	329.25	3.85	-106.60
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300000546765	0	30	-2.0	-107.91	296.93	2.86	-105.05
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300000546766	0	30	-2.0	-120.68	301.15	2.78	-117.90
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC(OC)=C1	REAL300000546767	0	38	-2.0	-121.77	339.97	2.55	-119.22
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000546768	0	32	-3.0	-174.50	330.15	5.04	-169.46
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000546768	1	33	-2.0	-96.20	329.46	5.05	-91.15
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300000546769	0	31	-2.0	-122.02	296.81	2.69	-119.33
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1C	REAL300000546770	0	38	-2.0	-131.37	331.27	6.78	-124.59
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)S2)=CS1	REAL300000546771	0	36	-2.0	-117.38	360.43	4.51	-112.87
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300000546772	0	31	-2.0	-109.30	303.19	1.77	-107.53
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000546773	0	29	-2.0	-114.20	289.50	1.77	-112.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1Cl	REAL300000546774	0	36	-2.0	-110.73	348.31	4.98	-105.75
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546775	0	35	-2.0	-110.07	328.77	5.43	-104.64
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000546776	0	35	-3.0	-180.89	319.48	5.14	-175.75
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000546776	1	36	-2.0	-98.66	318.68	5.19	-93.47
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300000546778	0	37	-2.0	-137.39	345.59	1.82	-135.57
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC(C(=O)[O-])=C1F	REAL300000546779	0	35	-3.0	-183.65	334.28	5.15	-178.50
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)=CC(C(=O)[O-])=C1F	REAL300000546779	1	36	-2.0	-135.73	333.59	5.17	-130.56
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CN=C1C	REAL300000546780	0	36	-2.0	-109.73	324.32	5.31	-104.42
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546780	1	35	-3.0	-171.20	324.85	5.28	-165.92
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546781	0	36	-2.0	-122.39	339.91	5.05	-117.34
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C2F)N=C1	REAL300000546782	1	40	-2.0	-117.61	365.59	5.97	-111.64
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300000546783	0	31	-2.0	-115.86	310.27	4.61	-111.25
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C(C)N1	REAL300000546784	0	43	-2.0	-117.52	376.99	4.64	-112.88
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1F	REAL300000546785	0	33	-2.0	-118.13	313.19	4.71	-113.42
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1[N+](=O)[O-]	REAL300000546786	0	36	-2.0	-106.68	336.50	4.69	-101.99
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)=CC(C(=O)[O-])=C1C	REAL300000546787	0	39	-2.0	-98.41	342.22	5.60	-92.81
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC(C(=O)[O-])=C1C	REAL300000546787	1	38	-3.0	-190.08	342.32	5.57	-184.51
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300000546788	0	36	-2.0	-128.91	338.71	6.77	-122.14
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300000546789	0	36	-2.0	-116.95	346.07	1.48	-115.47
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000546790	0	34	-3.0	-181.58	336.00	5.60	-175.98
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000546790	1	35	-2.0	-140.42	335.34	5.61	-134.81
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300000546791	0	33	-2.0	-115.17	326.31	5.45	-109.72
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1CC	REAL300000546792	0	42	-2.0	-121.14	358.03	6.51	-114.63
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000546793	0	32	-3.0	-175.02	321.17	4.63	-170.39
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC([N+](=O)[O-])=C1F	REAL300000546794	0	35	-2.0	-107.74	334.03	5.27	-102.47
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546795	0	36	-2.0	-123.70	342.92	5.86	-117.84
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300000546796	0	29	-2.0	-115.25	299.98	3.39	-111.86
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300000546797	0	36	-2.0	-124.69	326.58	4.33	-120.36
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=N1	REAL300000546798	0	35	-2.0	-108.97	331.72	2.78	-106.19
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300000546799	0	29	-2.0	-107.32	306.40	3.13	-104.19
CC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)C(C)=C1C(=O)[O-]	REAL300000546800	0	39	-2.0	-103.00	342.78	5.86	-97.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C)=C1C(=O)[O-]	REAL300000546800	1	38	-3.0	-185.66	342.97	5.92	-179.74
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300000546801	0	41	-2.0	-118.69	366.75	5.86	-112.83
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)[O-]	REAL300000546802	0	35	-3.0	-187.71	334.76	5.21	-182.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1Cl	REAL300000546803	0	35	-3.0	-185.51	341.20	5.66	-179.85
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546804	0	35	-3.0	-189.51	334.47	5.19	-184.32
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300000546805	0	30	-2.0	-105.65	308.22	4.41	-101.24
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546806	0	38	-2.0	-129.92	344.07	5.21	-124.71
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=N1	REAL300000546807	0	37	-2.0	-113.43	340.73	1.56	-111.87
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C([N+](=O)[O-])=N1	REAL300000546808	0	35	-2.0	-121.20	331.29	4.79	-116.41
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300000546809	0	30	-2.0	-114.78	303.87	4.73	-110.05
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1Br	REAL300000546810	0	33	-2.0	-120.54	315.66	5.23	-115.31
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)[O-]	REAL300000546811	0	38	-3.0	-188.89	343.76	5.69	-183.20
CCC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)[O-]	REAL300000546811	1	39	-2.0	-135.90	343.09	5.71	-130.19
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300000546812	0	41	-2.0	-115.50	358.13	2.49	-113.01
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1C#N	REAL300000546815	0	34	-2.0	-127.05	318.23	4.74	-122.31
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300000546816	0	33	-2.0	-110.42	332.86	5.51	-104.91
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CN=C1C	REAL300000546817	0	36	-2.0	-112.48	329.22	4.40	-108.08
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546817	1	35	-3.0	-171.88	329.50	4.45	-167.43
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300000546818	0	39	-2.0	-118.60	353.97	5.59	-113.01
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546819	0	36	-2.0	-125.07	328.47	4.69	-120.38
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300000546820	0	38	-2.0	-113.49	339.02	1.71	-111.78
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300000546821	1	37	-2.0	-120.25	345.34	4.48	-115.77
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546822	0	38	-2.0	-116.65	354.41	6.00	-110.65
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1F	REAL300000546823	0	33	-2.0	-124.40	306.79	4.65	-119.75
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=N1	REAL300000546824	0	36	-2.0	-111.29	330.03	1.57	-109.72
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300000546825	0	37	-2.0	-127.35	326.92	3.97	-123.38
COC1=CC=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)C=C1CC(=O)[O-]	REAL300000546826	0	40	-2.0	-128.37	359.23	4.65	-123.72
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1CC(=O)[O-]	REAL300000546826	1	39	-3.0	-187.73	359.91	4.63	-183.10
COCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546827	0	37	-2.0	-119.02	336.05	3.67	-115.35
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546828	0	35	-2.0	-124.38	320.25	0.94	-123.44
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1Cl	REAL300000546829	0	33	-2.0	-121.25	312.84	5.09	-116.16
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C(C)O1	REAL300000546830	0	33	-2.0	-117.22	303.96	3.52	-113.70
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300000546831	0	36	-2.0	-122.97	327.23	1.62	-121.35
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300000546832	1	38	-2.0	-118.84	334.68	4.57	-114.27
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C2)CC1	REAL300000546833	0	43	-2.0	-119.13	379.32	6.57	-112.56
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546834	0	39	-2.0	-114.50	364.03	5.60	-108.90
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546835	0	37	-2.0	-118.22	327.57	3.97	-114.25
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C(C(=O)OC)O1	REAL300000546836	0	39	-2.0	-113.81	357.96	4.36	-109.45
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300000546837	1	40	-2.0	-116.88	350.26	4.79	-112.09
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546838	0	33	-2.0	-119.06	313.19	4.30	-114.76
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300000546839	0	33	-2.0	-114.79	307.03	2.60	-112.19
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C2=NC=CC=C2C=C1	REAL300000546840	0	38	-2.0	-136.42	334.78	5.76	-130.66
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300000546841	0	36	-2.0	-131.14	330.25	5.96	-125.18
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C2=CC=CC=C12	REAL300000546842	0	43	-2.0	-134.66	375.38	5.32	-129.34
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300000546843	0	36	-2.0	-108.91	349.60	2.03	-106.88
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546844	0	36	-2.0	-122.90	332.59	5.41	-117.49
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(F)=C1	REAL300000546845	0	32	-2.0	-104.24	313.71	4.63	-99.61
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000546846	0	35	-3.0	-173.76	335.70	5.69	-168.07
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000546846	1	36	-2.0	-97.00	335.64	5.65	-91.35
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300000546847	0	30	-2.0	-109.51	304.12	4.53	-104.98
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C(C)O1	REAL300000546848	0	36	-2.0	-113.61	338.84	3.51	-110.10
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300000546849	0	29	-2.0	-109.27	292.74	2.64	-106.63
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000546850	0	35	-3.0	-183.24	340.67	5.46	-177.78
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)=CC(C(=O)[O-])=C1Cl	REAL300000546850	1	36	-2.0	-132.57	339.98	5.48	-127.09
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)N=C1C	REAL300000546851	0	36	-2.0	-127.43	326.52	3.76	-123.67
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546852	0	33	-2.0	-119.89	318.88	5.32	-114.57
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546853	0	33	-2.0	-120.72	315.52	5.17	-115.55
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)[O-]	REAL300000546854	0	36	-3.0	-184.60	337.47	4.73	-179.87
CCN1C=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)[O-]	REAL300000546854	1	37	-2.0	-99.64	337.32	4.76	-94.88
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546855	0	33	-2.0	-115.56	320.86	2.69	-112.87
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546856	0	42	-2.0	-117.93	360.45	4.50	-113.43
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CN1C	REAL300000546857	0	40	-2.0	-120.77	364.01	4.97	-115.80
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546858	0	38	-2.0	-112.65	340.66	5.88	-106.77
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300000546859	0	30	-2.0	-123.57	297.03	4.74	-118.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(Cl)=N1	REAL300000546860	0	32	-2.0	-116.50	310.87	3.26	-113.24
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546861	0	35	-2.0	-117.76	330.02	4.14	-113.62
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300000546862	0	37	-2.0	-118.66	346.04	5.14	-113.52
CSC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1Cl	REAL300000546863	0	34	-2.0	-114.89	336.18	5.41	-109.48
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000546864	0	32	-2.0	-113.67	310.99	2.52	-111.15
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C12	REAL300000546865	0	37	-2.0	-106.65	342.21	1.66	-104.99
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000546866	0	32	-2.0	-112.22	319.10	4.28	-107.94
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CN=C1Cl	REAL300000546868	0	33	-2.0	-106.89	321.83	1.91	-104.98
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)=CC=C21	REAL300000546869	0	39	-2.0	-114.97	356.90	4.90	-110.07
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300000546870	0	42	-2.0	-117.52	365.18	5.42	-112.10
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300000546871	0	32	-2.0	-106.81	315.69	3.18	-103.63
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546872	0	36	-2.0	-115.06	342.17	4.67	-110.39
CC1=CC(C)=C(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)C(C)=C1CC(=O)[O-]	REAL300000546873	0	45	-2.0	-101.67	370.69	7.18	-94.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C)=C1CC(=O)[O-]	REAL300000546873	1	44	-3.0	-188.79	374.35	7.37	-181.42
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(=O)(=O)F)C=C1	REAL300000546874	0	33	-2.0	-116.85	327.58	1.04	-115.81
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546875	0	45	-2.0	-117.04	379.31	5.40	-111.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C)=C1F	REAL300000546876	0	37	-2.0	-114.14	331.06	4.06	-110.08
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300000546877	0	31	-2.0	-111.30	314.87	4.91	-106.39
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300000546878	0	33	-2.0	-127.85	308.91	4.26	-123.59
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546879	0	35	-2.0	-114.22	330.95	2.80	-111.42
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546880	0	41	-2.0	-128.54	371.12	4.05	-124.49
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300000546881	0	27	-2.0	-111.26	285.36	2.67	-108.59
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C(C2=CC=CC=C2)S1	REAL300000546882	0	39	-2.0	-125.40	362.58	5.51	-119.89
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C(C2=CC=CC=C2)O1	REAL300000546883	0	39	-2.0	-127.47	357.12	2.92	-124.55
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1[N+](=O)[O-]	REAL300000546884	0	38	-2.0	-118.54	340.68	5.91	-112.63
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546885	0	40	-2.0	-126.51	344.56	5.70	-120.81
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300000546886	0	30	-2.0	-115.17	302.06	4.35	-110.82
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300000546888	1	38	-2.0	-121.67	333.49	4.36	-117.31
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546890	0	42	-2.0	-123.79	373.06	6.31	-117.48
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300000546891	0	30	-2.0	-109.61	316.15	5.05	-104.56
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546892	0	30	-2.0	-111.48	309.95	4.17	-107.31
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(OC)=C1	REAL300000546893	0	40	-2.0	-119.83	363.97	4.40	-115.43
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300000546894	0	33	-2.0	-125.23	315.14	4.87	-120.36
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300000546895	0	33	-2.0	-112.94	325.22	5.01	-107.93
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546896	0	33	-2.0	-115.82	323.68	5.22	-110.60
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300000546897	0	33	-2.0	-114.11	320.04	2.82	-111.29
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546898	0	34	-2.0	-126.49	317.06	5.01	-121.48
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300000546899	0	41	-2.0	-141.09	363.61	3.77	-137.32
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)F)=C1	REAL300000546900	0	33	-2.0	-121.74	327.59	1.04	-120.70
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300000546902	0	38	-2.0	-111.50	350.42	5.24	-106.26
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300000546903	0	39	-2.0	-123.46	334.97	5.96	-117.50
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C)=CS1	REAL300000546904	0	36	-2.0	-128.68	336.20	5.13	-123.55
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1F	REAL300000546905	0	34	-2.0	-110.97	316.71	3.32	-107.65
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])SC=C1	REAL300000546906	0	29	-2.0	-124.62	293.67	4.35	-120.27
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546907	0	38	-2.0	-125.77	356.14	5.97	-119.80
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300000546908	0	35	-2.0	-112.18	325.33	3.08	-109.10
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300000546909	0	29	-2.0	-108.91	302.15	3.71	-105.20
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000546911	0	38	-2.0	-120.35	348.18	2.16	-118.19
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300000546912	0	33	-2.0	-108.84	336.77	5.47	-103.37
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546913	0	41	-2.0	-138.46	363.19	2.35	-136.11
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1[N+](=O)[O-]	REAL300000546914	0	36	-2.0	-105.37	344.45	4.77	-100.60
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300000546915	0	34	-2.0	-120.69	309.11	3.39	-117.30
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300000546916	0	31	-2.0	-115.72	314.88	4.92	-110.80
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300000546917	0	33	-2.0	-115.14	324.93	3.02	-112.12
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546918	0	36	-2.0	-119.52	310.67	5.66	-113.86
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546919	0	38	-2.0	-133.51	334.95	4.46	-129.05
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546921	0	33	-2.0	-124.47	300.58	4.93	-119.54
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546922	0	33	-2.0	-113.05	317.76	5.34	-107.71
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300000546923	0	34	-2.0	-131.39	319.36	4.02	-127.37
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546924	0	43	-2.0	-116.94	371.17	5.41	-111.53
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300000546925	0	30	-2.0	-114.82	307.77	4.63	-110.19
CC1=C2C=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C2=NC=C1	REAL300000546926	0	38	-2.0	-135.50	338.85	5.13	-130.37
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000546928	0	34	-2.0	-122.00	332.23	1.24	-120.76
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300000546929	0	31	-2.0	-124.98	305.75	2.26	-122.72
COC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546930	0	33	-2.0	-114.68	305.57	1.42	-113.26
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300000546931	0	30	-2.0	-119.05	307.06	4.61	-114.44
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1OC	REAL300000546932	0	40	-2.0	-114.06	363.06	4.65	-109.41
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C)OCO2	REAL300000546934	0	36	-2.0	-116.27	322.07	3.41	-112.86
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546936	0	36	-2.0	-115.18	331.17	5.16	-110.02
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000546937	0	35	-3.0	-180.26	343.21	5.57	-174.69
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000546937	1	36	-2.0	-96.89	342.53	5.59	-91.30
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300000546938	0	40	-2.0	-117.79	351.69	3.80	-113.99
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546939	0	39	-2.0	-133.54	348.08	6.26	-127.28
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546940	0	38	-2.0	-124.31	328.62	2.06	-122.25
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300000546941	0	36	-2.0	-128.06	342.19	5.51	-122.55
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000546943	0	33	-2.0	-121.05	325.93	1.44	-119.61
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000546943	1	32	-3.0	-177.96	322.65	0.31	-177.65
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1F	REAL300000546944	0	37	-2.0	-118.50	341.89	2.96	-115.54
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1OC	REAL300000546945	0	38	-2.0	-116.41	352.78	3.73	-112.68
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300000546946	0	34	-2.0	-113.72	326.45	3.59	-110.13
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300000546947	0	33	-2.0	-107.33	325.31	5.00	-102.33
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000546948	0	41	-3.0	-185.13	359.32	6.60	-178.53
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000546948	1	42	-2.0	-109.51	360.82	6.13	-103.38
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300000546949	0	35	-2.0	-118.76	337.75	-0.45	-119.21
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300000546950	0	34	-2.0	-120.00	310.43	5.23	-114.77
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C	REAL300000546951	0	41	-2.0	-119.19	372.32	1.04	-118.15
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300000546952	0	34	-2.0	-125.78	323.22	5.11	-120.67
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300000546953	0	30	-2.0	-112.33	310.83	5.02	-107.31
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546954	1	36	-2.0	-111.11	317.50	5.70	-105.41
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(N)=NO1	REAL300000546955	0	31	-2.0	-106.73	288.51	1.32	-105.41
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C)OCC(=O)N2	REAL300000546956	0	40	-2.0	-122.76	359.94	0.97	-121.79
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300000546957	0	30	-2.0	-110.20	311.00	5.33	-104.87
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546958	0	34	-2.0	-123.01	325.95	4.26	-118.75
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300000546959	0	31	-2.0	-113.37	308.48	2.73	-110.64
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546962	0	37	-2.0	-122.43	325.94	4.02	-118.41
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300000546963	0	31	-2.0	-107.95	321.48	4.84	-103.11
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1Cl	REAL300000546964	1	37	-2.0	-116.55	341.54	4.59	-111.96
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300000546965	0	32	-2.0	-109.49	330.85	5.18	-104.31
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300000546966	0	28	-2.0	-109.05	293.49	3.49	-105.56
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300000546967	0	32	-2.0	-104.86	327.14	5.05	-99.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=N1	REAL300000546968	0	32	-2.0	-115.51	297.58	2.78	-112.73
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300000546969	0	35	-2.0	-117.83	322.16	4.31	-113.52
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(F)=C1	REAL300000546970	0	36	-2.0	-116.08	341.22	4.67	-111.41
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1F	REAL300000546971	0	36	-2.0	-112.05	340.30	4.63	-107.42
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546972	0	38	-2.0	-129.94	357.12	5.80	-124.14
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1C#N	REAL300000546973	0	34	-2.0	-111.09	320.95	4.83	-106.26
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300000546974	0	29	-2.0	-103.11	298.72	2.63	-100.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(F)=C1	REAL300000546975	0	34	-2.0	-119.81	315.96	3.30	-116.51
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1[N+](=O)[O-]	REAL300000546976	0	38	-2.0	-132.06	341.92	7.28	-124.78
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300000546977	0	36	-2.0	-119.78	342.00	5.74	-114.04
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300000546979	0	34	-2.0	-124.60	328.74	4.82	-119.78
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300000546980	0	33	-2.0	-115.80	313.17	4.81	-110.99
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300000546981	0	40	-2.0	-124.12	355.18	7.35	-116.77
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)N(C)N=C1	REAL300000546983	0	33	-2.0	-110.01	297.86	2.40	-107.61
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546984	0	39	-2.0	-124.11	363.09	5.59	-118.52
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CN1C	REAL300000546985	0	42	-2.0	-118.36	382.99	5.15	-113.21
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300000546987	0	28	-2.0	-109.10	284.90	2.49	-106.61
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C(F)C=C1C	REAL300000546988	0	42	-2.0	-118.08	379.12	6.13	-111.95
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546989	0	44	-2.0	-129.31	392.52	2.15	-127.16
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546990	0	41	-2.0	-128.86	364.29	3.47	-125.39
CC1=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CN=C2C)=CC=C1C(=O)[O-]	REAL300000546991	0	36	-2.0	-104.28	324.74	5.06	-99.22
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1C(=O)[O-]	REAL300000546991	1	35	-3.0	-170.59	325.45	5.04	-165.55
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=N1	REAL300000546992	0	33	-2.0	-111.26	308.16	0.63	-110.63
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300000546993	0	30	-2.0	-118.19	303.20	4.52	-113.67
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000546995	0	41	-2.0	-121.97	359.54	5.09	-116.88
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000546996	0	39	-2.0	-121.21	358.51	6.72	-114.49
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300000546997	0	39	-2.0	-120.74	354.34	6.43	-114.31
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300000546998	0	33	-2.0	-116.76	323.57	5.85	-110.91
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300000546999	0	33	-2.0	-120.60	317.54	5.32	-115.28
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547000	0	42	-2.0	-126.61	379.80	6.30	-120.31
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547001	0	36	-2.0	-132.77	337.67	6.02	-126.75
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)N(C)N=C1	REAL300000547002	0	39	-2.0	-117.42	351.04	3.99	-113.43
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547003	0	43	-2.0	-129.69	385.76	5.32	-124.37
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1C	REAL300000547004	0	42	-2.0	-116.38	373.68	6.05	-110.33
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300000547005	0	41	-2.0	-132.01	358.69	5.16	-126.85
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300000547006	0	34	-2.0	-106.88	337.65	5.12	-101.76
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300000547007	0	33	-2.0	-123.76	307.58	2.58	-121.18
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300000547008	0	31	-2.0	-121.40	318.75	4.73	-116.67
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547009	0	36	-2.0	-111.31	335.53	5.73	-105.58
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547010	0	37	-2.0	-121.43	332.33	4.17	-117.26
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300000547011	0	30	-2.0	-119.36	303.35	4.80	-114.56
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547012	1	36	-2.0	-144.08	325.39	1.54	-142.54
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C2C=C1	REAL300000547013	0	39	-2.0	-121.71	348.28	6.88	-114.83
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300000547014	0	27	-2.0	-119.52	288.95	3.41	-116.11
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547015	0	39	-2.0	-116.22	365.21	5.80	-110.42
CC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547016	0	30	-2.0	-117.17	294.54	3.61	-113.56
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1	REAL300000547017	0	43	-2.0	-124.21	376.99	4.30	-119.91
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300000547018	0	27	-2.0	-112.31	279.29	0.75	-111.56
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300000547019	0	35	-2.0	-126.61	335.49	5.01	-121.60
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300000547020	0	29	-2.0	-110.88	287.90	2.06	-108.82
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547021	0	37	-2.0	-114.33	349.21	4.24	-110.09
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300000547022	0	39	-2.0	-112.42	345.52	3.02	-109.40
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300000547023	0	39	-2.0	-111.81	350.15	2.50	-109.31
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000547024	0	37	-3.0	-179.77	350.16	6.67	-173.10
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300000547026	1	38	-2.0	-116.89	341.51	4.91	-111.98
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300000547027	0	33	-2.0	-113.44	317.16	4.40	-109.04
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300000547028	0	33	-2.0	-121.50	333.49	5.96	-115.54
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547029	0	35	-2.0	-127.44	322.13	3.53	-123.91
CC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547030	0	29	-2.0	-110.33	289.47	2.24	-108.09
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300000547031	0	32	-2.0	-113.42	324.65	5.93	-107.49
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC(=O)S1	REAL300000547032	1	27	-2.0	-109.11	277.81	-0.17	-109.28
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300000547033	0	34	-2.0	-116.16	329.40	2.65	-113.51
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000547033	1	33	-3.0	-198.48	325.90	3.51	-194.97
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300000547034	0	36	-2.0	-112.07	336.95	5.36	-106.71
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300000547035	0	32	-2.0	-107.39	329.77	3.75	-103.64
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300000547036	1	34	-2.0	-145.48	309.86	1.26	-144.22
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300000547037	0	37	-2.0	-118.94	330.21	6.05	-112.89
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547038	0	39	-2.0	-115.01	374.35	6.04	-108.97
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300000547039	0	27	-2.0	-122.74	279.26	3.00	-119.74
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)=CC=C2NC1=O	REAL300000547040	0	39	-2.0	-114.64	352.04	3.68	-110.96
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300000547041	0	36	-2.0	-131.05	341.81	2.37	-128.68
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300000547042	0	33	-2.0	-115.64	319.62	2.79	-112.85
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300000547043	0	39	-2.0	-118.19	345.82	5.55	-112.64
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300000547044	0	31	-2.0	-107.89	307.68	4.37	-103.52
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C(F)C=C1[N+](=O)[O-]	REAL300000547048	0	35	-2.0	-108.86	330.68	5.19	-103.67
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CN=C1C	REAL300000547049	0	36	-2.0	-134.84	328.70	5.29	-129.55
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547049	1	35	-3.0	-185.86	328.97	5.35	-180.51
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300000547050	0	31	-2.0	-114.55	313.87	3.24	-111.31
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000547051	0	34	-3.0	-192.64	333.17	6.36	-186.28
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300000547053	0	34	-2.0	-116.96	332.27	3.81	-113.15
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)=CC=C2N=C1Cl	REAL300000547054	0	38	-2.0	-114.13	357.46	5.34	-108.79
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(C)=O	REAL300000547055	1	30	-2.0	-142.58	286.33	-0.11	-142.69
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C(F)C=C1C	REAL300000547056	0	39	-2.0	-117.73	357.26	5.21	-112.52
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300000547057	0	30	-2.0	-109.10	313.55	4.13	-104.97
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300000547058	0	35	-2.0	-123.82	317.97	0.87	-122.95
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000547059	0	33	-2.0	-119.62	311.15	4.53	-115.09
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CN=C1C	REAL300000547060	0	38	-2.0	-109.60	347.22	3.29	-106.31
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300000547061	0	31	-2.0	-106.48	304.37	2.80	-103.68
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000547062	0	42	-2.0	-120.64	384.66	3.16	-117.48
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300000547063	0	32	-2.0	-108.40	308.53	3.33	-105.07
CC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C(Br)N1C	REAL300000547064	0	33	-2.0	-125.49	322.69	3.33	-122.16
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1C(F)(F)F	REAL300000547065	0	36	-2.0	-111.10	335.40	5.45	-105.65
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547066	0	39	-2.0	-126.76	357.93	5.38	-121.38
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300000547067	0	32	-2.0	-107.96	320.73	3.82	-104.14
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=NN1C	REAL300000547071	0	33	-2.0	-117.23	301.64	2.18	-115.05
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000547072	0	34	-2.0	-119.58	312.07	5.04	-114.54
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547073	0	43	-2.0	-129.83	374.93	4.80	-125.03
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547074	0	33	-2.0	-115.76	304.36	2.30	-113.46
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547075	0	37	-2.0	-116.67	352.78	4.17	-112.50
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300000547076	0	30	-2.0	-108.38	296.87	2.54	-105.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)OC(C)C	REAL300000547077	0	45	-2.0	-116.85	393.90	6.76	-110.09
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300000547079	0	35	-2.0	-115.89	327.40	1.14	-114.75
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300000547080	0	30	-2.0	-112.66	296.65	1.47	-111.19
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=NN1C1=CC=CC=C1	REAL300000547081	0	36	-2.0	-113.94	331.63	3.68	-110.26
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547082	0	43	-2.0	-116.36	390.83	4.32	-112.04
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300000547083	0	44	-2.0	-123.91	375.44	6.12	-117.79
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300000547085	0	32	-2.0	-115.45	329.14	3.87	-111.58
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1Cl	REAL300000547086	0	38	-2.0	-122.39	354.75	3.59	-118.80
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300000547087	0	38	-2.0	-106.98	352.12	2.52	-104.46
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300000547088	0	37	-2.0	-124.26	336.97	3.71	-120.55
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300000547089	0	33	-2.0	-114.65	318.21	1.52	-113.13
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547090	0	43	-2.0	-123.32	377.07	5.24	-118.08
COC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1Cl	REAL300000547091	0	34	-2.0	-111.85	326.52	3.80	-108.05
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CC(N)=O)S1	REAL300000547092	0	34	-2.0	-128.55	332.56	0.58	-127.97
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000547093	0	32	-3.0	-188.71	313.07	4.53	-184.18
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300000547094	0	27	-2.0	-121.45	280.33	1.95	-119.50
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300000547095	0	32	-2.0	-129.79	312.18	3.36	-126.43
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300000547096	0	35	-2.0	-121.42	316.79	3.78	-117.64
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300000547098	0	36	-2.0	-126.50	331.49	6.26	-120.24
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300000547099	0	33	-2.0	-121.16	321.12	3.02	-118.14
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547100	0	36	-2.0	-121.68	349.39	5.47	-116.21
CCC1=CC(CC)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(CC)=C1	REAL300000547101	1	48	-2.0	-121.01	388.73	8.59	-112.42
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547102	0	33	-2.0	-120.36	308.10	5.46	-114.90
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300000547103	0	34	-2.0	-116.89	325.40	4.07	-112.82
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300000547104	0	35	-2.0	-129.29	317.29	3.77	-125.52
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1F	REAL300000547105	0	39	-2.0	-121.68	363.39	5.43	-116.25
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C2=CC=CC(C)=C2S1	REAL300000547106	0	39	-2.0	-121.37	352.17	6.96	-114.41
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300000547107	0	34	-2.0	-116.98	335.72	4.51	-112.47
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(F)=C1	REAL300000547113	0	33	-2.0	-125.92	310.89	4.90	-121.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C1=CC=CC=C1	REAL300000547114	1	44	-2.0	-121.13	389.17	7.01	-114.12
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300000547115	0	29	-2.0	-109.75	306.02	3.14	-106.61
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300000547116	0	30	-2.0	-112.25	304.57	2.10	-110.15
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300000547117	0	35	-2.0	-117.35	324.83	2.41	-114.94
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(=O)C1=CC=CC=C1	REAL300000547118	1	37	-2.0	-139.14	343.16	2.67	-136.47
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000547119	0	35	-3.0	-178.01	334.40	5.19	-172.82
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000547119	1	36	-2.0	-97.00	333.70	5.20	-91.80
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547121	0	34	-2.0	-123.34	315.63	3.81	-119.53
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300000547122	0	33	-2.0	-108.02	320.60	3.04	-104.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1[N+](=O)[O-]	REAL300000547123	0	38	-2.0	-116.57	343.53	5.78	-110.79
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547124	0	46	-2.0	-129.15	385.40	6.07	-123.08
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1Cl	REAL300000547126	0	33	-2.0	-107.76	324.23	1.17	-106.59
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000547127	0	34	-2.0	-112.99	331.05	2.10	-110.89
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1Cl	REAL300000547128	0	33	-2.0	-113.26	316.44	5.04	-108.22
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300000547129	0	36	-2.0	-128.14	329.10	4.94	-123.20
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C2)=N1	REAL300000547130	0	39	-2.0	-117.03	367.22	5.42	-111.61
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547131	0	39	-2.0	-125.06	361.54	5.29	-119.77
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C([N+](=O)[O-])S1	REAL300000547132	0	32	-2.0	-124.21	315.55	5.15	-119.06
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1C(F)(F)F	REAL300000547134	0	32	-2.0	-107.86	319.46	3.95	-103.91
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)SC2=C1	REAL300000547135	0	33	-2.0	-112.87	322.98	2.14	-110.73
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CN=C1F	REAL300000547136	0	29	-2.0	-119.75	281.48	2.12	-117.63
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1	REAL300000547139	0	29	-2.0	-107.71	282.38	2.10	-105.61
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=NC(Cl)=CC=C2S1	REAL300000547141	0	32	-2.0	-115.90	331.55	3.93	-111.97
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300000547142	0	28	-2.0	-121.41	291.35	3.35	-118.06
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547143	0	37	-2.0	-121.49	348.74	5.68	-115.81
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300000547146	0	30	-2.0	-109.19	303.58	4.51	-104.68
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300000547147	0	39	-2.0	-124.21	342.67	4.30	-119.91
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300000547148	0	37	-2.0	-124.10	346.08	1.81	-122.29
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300000547149	0	38	-2.0	-129.77	333.17	5.15	-124.62
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547150	0	40	-2.0	-116.43	356.93	2.88	-113.55
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(F)=C1	REAL300000547151	0	39	-2.0	-114.92	363.09	5.60	-109.32
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)S2)C1	REAL300000547156	0	41	-2.0	-119.16	370.77	4.39	-114.77
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000547157	0	45	-2.0	-122.55	390.85	6.29	-116.26
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547159	0	37	-2.0	-129.77	336.90	1.38	-128.39
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300000547162	0	42	-2.0	-117.60	365.24	5.37	-112.23
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)=C2)=N1	REAL300000547163	0	42	-2.0	-122.23	374.04	3.86	-118.37
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)N(C)N=C1	REAL300000547164	0	36	-2.0	-116.91	329.17	3.07	-113.84
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C	REAL300000547165	0	41	-2.0	-120.52	366.67	3.12	-117.40
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547166	0	35	-2.0	-105.38	336.72	5.79	-99.59
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1Cl	REAL300000547167	0	38	-2.0	-114.50	361.99	2.79	-111.71
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300000547170	0	37	-2.0	-125.27	347.47	5.76	-119.51
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)N1C	REAL300000547171	0	33	-2.0	-115.78	300.27	2.94	-112.84
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1F	REAL300000547172	0	36	-2.0	-118.17	345.80	4.68	-113.49
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547173	0	43	-2.0	-121.92	371.00	5.60	-116.32
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300000547176	0	43	-2.0	-117.72	382.68	6.23	-111.49
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1F	REAL300000547177	0	35	-2.0	-122.16	328.77	6.06	-116.10
CCC1=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CN1CC1CC1	REAL300000547178	0	43	-2.0	-127.28	379.84	5.88	-121.40
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)O1	REAL300000547179	0	36	-2.0	-111.62	338.42	3.32	-108.30
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C2C1	REAL300000547180	0	41	-2.0	-124.74	364.41	4.42	-120.32
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300000547181	0	33	-2.0	-114.53	320.72	3.45	-111.08
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(C)C	REAL300000547182	1	49	-2.0	-118.06	412.43	6.99	-111.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C)=C1[N+](=O)[O-]	REAL300000547183	0	38	-2.0	-113.16	344.65	6.30	-106.86
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000547184	0	38	-3.0	-195.78	350.48	6.64	-189.14
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000547184	1	39	-2.0	-144.28	349.58	6.64	-137.64
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300000547185	0	33	-2.0	-104.15	323.94	2.51	-101.64
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300000547186	0	29	-2.0	-111.68	298.35	2.55	-109.13
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300000547187	0	40	-2.0	-130.74	347.08	7.36	-123.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(F)=C1F	REAL300000547189	0	33	-2.0	-119.80	313.10	4.72	-115.08
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300000547190	0	29	-2.0	-111.76	302.95	2.62	-109.14
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)OC=C1	REAL300000547191	0	33	-2.0	-129.61	317.24	2.98	-126.63
CCC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C(C)C=C1OC	REAL300000547192	1	43	-2.0	-119.66	367.21	5.53	-114.13
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300000547193	0	32	-2.0	-130.41	308.07	2.93	-127.48
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C)=N1	REAL300000547194	0	42	-2.0	-115.60	368.88	4.70	-110.90
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C(OC)C=C1F	REAL300000547195	0	40	-2.0	-116.78	368.44	4.43	-112.35
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000547197	0	31	-3.0	-185.20	306.43	2.57	-182.63
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547198	0	34	-2.0	-119.32	313.80	4.09	-115.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(C)C	REAL300000547199	1	46	-2.0	-118.74	390.94	6.19	-112.55
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300000547200	0	42	-2.0	-115.53	359.20	6.20	-109.33
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300000547201	0	31	-2.0	-109.14	308.22	4.40	-104.74
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(=O)C1=CC=CC=C1F	REAL300000547202	1	37	-2.0	-145.00	347.46	2.84	-142.16
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300000547203	0	33	-2.0	-112.18	314.12	2.57	-109.61
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=NC=NC=C12	REAL300000547204	0	32	-2.0	-115.06	304.25	3.00	-112.06
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300000547205	0	34	-2.0	-125.31	314.71	3.92	-121.39
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300000547206	0	40	-2.0	-113.91	341.98	4.06	-109.85
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300000547207	0	42	-2.0	-115.18	349.33	4.56	-110.62
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300000547209	0	40	-2.0	-115.05	348.38	4.31	-110.74
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300000547210	0	33	-2.0	-107.80	315.29	2.84	-104.96
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1Br	REAL300000547211	0	30	-2.0	-114.58	306.22	2.14	-112.44
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)N=S(C)(=O)C1CCCCC1	REAL300000547214	1	43	-2.0	-142.01	368.63	3.36	-138.65
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1O	REAL300000547215	0	31	-2.0	-119.01	297.16	1.71	-117.30
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000547215	1	30	-3.0	-199.89	293.59	2.57	-197.32
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000547216	0	40	-2.0	-118.86	358.18	6.72	-112.14
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547217	0	33	-2.0	-131.67	311.99	1.61	-130.06
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547218	0	36	-2.0	-116.13	323.83	3.11	-113.02
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1F	REAL300000547219	0	35	-2.0	-117.44	326.78	4.43	-113.01
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300000547220	0	30	-2.0	-109.63	286.18	1.30	-108.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C#N)=C1	REAL300000547221	0	34	-2.0	-124.88	320.48	4.89	-119.99
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547222	0	34	-2.0	-127.90	312.73	5.20	-122.70
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300000547223	0	33	-2.0	-113.81	320.19	4.90	-108.91
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1CC	REAL300000547226	1	46	-2.0	-117.37	395.52	6.46	-110.91
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300000547227	0	37	-2.0	-122.93	344.73	5.90	-117.03
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547228	1	36	-2.0	-112.10	327.83	6.14	-105.96
COC1=NSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547229	0	30	-2.0	-106.97	300.22	-0.26	-107.23
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547230	0	44	-2.0	-136.57	380.95	3.62	-132.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547234	0	36	-3.0	-175.93	337.64	4.30	-171.63
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C(C(N)=O)O1	REAL300000547235	0	34	-2.0	-117.98	320.51	-0.44	-118.42
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547236	0	39	-2.0	-120.58	332.18	6.44	-114.14
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300000547237	0	30	-2.0	-112.63	301.21	3.87	-108.76
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000547239	0	29	-3.0	-171.16	309.55	3.47	-167.69
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000547239	1	30	-2.0	-120.74	307.28	3.06	-117.68
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300000547240	0	35	-2.0	-127.33	317.22	4.46	-122.87
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547241	0	37	-2.0	-118.24	341.40	4.20	-114.04
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300000547242	0	31	-2.0	-119.79	306.78	4.37	-115.42
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547243	0	33	-2.0	-107.00	335.54	3.22	-103.78
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300000547244	0	44	-2.0	-117.23	376.54	4.02	-113.21
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C21	REAL300000547245	0	44	-2.0	-141.76	381.80	5.88	-135.88
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300000547246	0	37	-2.0	-115.13	330.87	3.64	-111.49
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300000547247	0	37	-2.0	-111.97	326.20	3.92	-108.05
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300000547248	0	40	-2.0	-112.04	350.34	4.55	-107.49
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547249	0	43	-2.0	-131.32	385.77	5.32	-126.00
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000547250	0	30	-3.0	-195.01	319.94	3.54	-191.47
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000547250	1	31	-2.0	-94.86	317.53	3.00	-91.86
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300000547251	0	34	-3.0	-208.18	329.43	3.90	-204.28
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300000547252	0	41	-2.0	-124.17	356.02	1.97	-122.20
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300000547253	0	36	-2.0	-116.66	347.82	4.85	-111.81
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300000547254	0	36	-2.0	-116.02	331.71	1.17	-114.85
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300000547255	0	27	-2.0	-115.01	281.64	2.67	-112.34
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1F	REAL300000547256	0	34	-2.0	-106.81	326.85	3.49	-103.32
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300000547257	0	37	-2.0	-118.56	325.36	3.98	-114.58
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1F	REAL300000547258	0	34	-2.0	-115.99	322.18	3.39	-112.60
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C	REAL300000547259	1	46	-2.0	-122.10	384.52	6.00	-116.10
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300000547260	0	40	-2.0	-124.96	355.41	5.34	-119.62
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547261	0	33	-2.0	-115.37	305.71	4.62	-110.75
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300000547262	0	38	-2.0	-130.68	338.23	4.52	-126.16
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300000547263	0	38	-2.0	-114.65	349.65	3.62	-111.03
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300000547264	0	38	-2.0	-120.92	349.24	6.15	-114.77
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547265	0	34	-2.0	-120.23	317.40	4.61	-115.62
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300000547266	0	36	-2.0	-124.33	334.68	4.57	-119.76
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C21	REAL300000547267	0	44	-2.0	-140.11	380.42	5.55	-134.56
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300000547268	0	27	-2.0	-115.78	286.41	3.39	-112.39
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Br)=NN1C	REAL300000547269	0	30	-2.0	-106.12	304.29	2.01	-104.11
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300000547270	0	32	-2.0	-107.85	315.13	3.14	-104.71
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547271	0	35	-2.0	-132.13	321.66	3.56	-128.57
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547272	0	32	-2.0	-105.11	295.70	1.23	-103.88
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300000547274	0	31	-2.0	-106.55	295.86	2.74	-103.81
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300000547275	0	33	-2.0	-120.14	319.81	5.38	-114.76
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300000547276	0	33	-2.0	-132.95	325.88	3.66	-129.29
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300000547277	0	37	-2.0	-110.05	331.90	3.71	-106.34
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C)=C1F	REAL300000547278	0	39	-2.0	-115.76	336.88	6.31	-109.45
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1OC	REAL300000547279	0	38	-2.0	-124.54	336.78	3.87	-120.67
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300000547280	0	39	-2.0	-124.84	349.30	1.16	-123.68
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300000547281	0	31	-2.0	-108.37	321.53	4.84	-103.53
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300000547282	0	33	-2.0	-119.93	310.75	4.24	-115.69
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1OC	REAL300000547283	0	38	-2.0	-125.82	340.41	4.28	-121.54
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300000547284	0	43	-2.0	-119.67	369.77	4.85	-114.82
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300000547285	0	34	-2.0	-123.39	331.86	5.87	-117.52
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300000547286	0	37	-2.0	-118.82	336.27	3.87	-114.95
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300000547287	1	34	-2.0	-117.98	320.23	3.52	-114.46
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300000547288	0	33	-2.0	-126.07	310.41	3.16	-122.91
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300000547289	0	35	-2.0	-135.30	325.52	2.35	-132.95
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1Br	REAL300000547290	0	36	-2.0	-117.86	335.55	5.93	-111.93
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C(=CC=C1)C=CN2C	REAL300000547291	0	37	-2.0	-121.24	321.53	5.94	-115.30
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CN=C1N	REAL300000547292	0	34	-2.0	-117.61	309.00	1.65	-115.96
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547293	0	30	-2.0	-114.62	298.27	-0.17	-114.79
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300000547296	0	33	-2.0	-116.38	314.70	4.32	-112.06
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300000547297	0	40	-2.0	-118.97	352.49	4.35	-114.62
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300000547298	0	48	-2.0	-124.95	395.21	7.88	-117.07
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300000547299	0	27	-2.0	-115.61	286.82	3.48	-112.13
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300000547300	0	40	-2.0	-115.48	354.97	4.59	-110.89
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300000547301	0	34	-2.0	-124.52	319.10	5.06	-119.46
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300000547302	0	41	-2.0	-125.97	379.49	6.77	-119.20
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300000547303	0	43	-2.0	-128.97	370.79	2.34	-126.63
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C2=NC=CC=C2C=C1	REAL300000547304	0	39	-2.0	-145.14	346.43	5.15	-139.99
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547305	0	39	-2.0	-121.06	345.36	6.15	-114.91
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547306	0	36	-2.0	-108.87	338.59	2.23	-106.64
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300000547307	0	31	-2.0	-120.90	305.49	4.29	-116.61
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300000547308	0	37	-2.0	-114.28	325.65	3.52	-110.76
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000547309	0	34	-2.0	-103.91	337.42	5.28	-98.63
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547311	1	36	-2.0	-119.26	311.11	5.63	-113.63
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300000547312	0	39	-2.0	-109.29	328.01	3.85	-105.44
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300000547313	0	39	-2.0	-115.90	345.46	3.68	-112.22
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300000547314	0	37	-2.0	-115.97	329.49	3.05	-112.92
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CN=C1C(F)(F)F	REAL300000547315	0	35	-2.0	-107.26	331.90	3.77	-103.49
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)N=C1	REAL300000547316	0	41	-2.0	-115.32	355.24	4.76	-110.56
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C([N+](=O)[O-])=C1	REAL300000547317	0	32	-2.0	-100.93	320.00	4.69	-96.24
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300000547318	0	33	-2.0	-108.51	326.44	5.02	-103.49
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300000547319	0	33	-2.0	-118.54	308.97	4.76	-113.78
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300000547320	0	30	-2.0	-116.71	302.50	4.33	-112.38
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300000547321	0	30	-2.0	-109.70	312.72	4.04	-105.66
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547322	0	33	-2.0	-111.70	304.51	2.11	-109.59
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300000547324	0	33	-2.0	-107.58	332.89	5.36	-102.22
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1C	REAL300000547325	0	36	-2.0	-120.91	313.46	5.26	-115.65
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300000547326	0	33	-2.0	-129.24	301.96	5.24	-124.00
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547327	0	41	-2.0	-129.34	365.55	5.98	-123.36
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300000547329	0	40	-2.0	-121.78	361.22	5.63	-116.15
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300000547331	0	35	-2.0	-116.44	339.74	4.43	-112.01
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000547332	0	39	-2.0	-119.01	359.41	5.59	-113.42
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1Cl	REAL300000547333	0	31	-2.0	-116.85	313.60	4.81	-112.04
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300000547334	0	39	-2.0	-124.65	355.09	3.91	-120.74
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300000547335	0	30	-2.0	-117.78	300.98	4.20	-113.58
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300000547336	0	37	-2.0	-120.76	330.20	6.05	-114.71
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=CS1	REAL300000547337	0	31	-2.0	-123.19	303.24	2.39	-120.80
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300000547338	0	33	-2.0	-116.83	313.24	5.39	-111.44
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547339	0	36	-2.0	-113.06	345.95	4.25	-108.81
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300000547340	0	37	-2.0	-121.67	335.69	6.11	-115.56
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300000547341	0	40	-2.0	-112.44	345.75	4.55	-107.89
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547342	0	39	-2.0	-114.23	342.12	3.78	-110.45
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000547343	0	39	-2.0	-125.38	352.22	1.46	-123.92
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300000547345	0	33	-2.0	-123.00	334.92	0.44	-122.56
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=NN(C)N=C21	REAL300000547346	0	35	-2.0	-127.79	324.58	2.31	-125.48
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)O1	REAL300000547347	0	33	-2.0	-117.21	307.06	3.55	-113.66
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300000547348	0	30	-2.0	-109.44	304.83	3.17	-106.27
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547349	0	34	-2.0	-115.02	321.92	3.87	-111.15
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300000547350	0	44	-2.0	-117.88	379.32	3.09	-114.79
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300000547351	0	36	-2.0	-118.01	334.19	5.47	-112.54
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300000547352	0	34	-2.0	-117.95	320.24	3.52	-114.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000547354	0	31	-2.0	-114.91	304.76	2.39	-112.52
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C2=NC=CC=C12	REAL300000547355	0	41	-2.0	-136.64	352.42	6.25	-130.39
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300000547357	0	33	-2.0	-112.67	313.65	2.64	-110.03
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547358	0	40	-2.0	-122.11	357.90	4.63	-117.48
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1CCl	REAL300000547359	0	33	-2.0	-111.42	332.65	3.41	-108.01
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300000547360	0	40	-2.0	-113.77	362.01	5.08	-108.69
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300000547361	0	43	-2.0	-114.76	367.37	4.90	-109.86
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300000547362	1	41	-2.0	-115.39	369.67	6.80	-108.59
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300000547363	0	33	-2.0	-121.02	302.61	4.87	-116.15
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547364	0	42	-2.0	-125.92	370.16	6.64	-119.28
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC(C)=C1Br	REAL300000547365	0	36	-2.0	-114.43	338.68	5.69	-108.74
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300000547366	0	33	-2.0	-119.96	306.47	4.35	-115.61
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300000547367	0	32	-2.0	-119.77	311.92	3.34	-116.43
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=N1	REAL300000547368	0	32	-2.0	-114.35	301.69	0.82	-113.53
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1Cl	REAL300000547369	0	33	-2.0	-113.00	322.64	2.87	-110.13
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300000547371	0	32	-2.0	-109.90	321.99	3.22	-106.68
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300000547372	0	35	-2.0	-131.06	337.43	5.14	-125.92
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300000547373	0	27	-2.0	-110.90	280.72	2.56	-108.34
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300000547374	0	35	-2.0	-127.32	334.17	4.92	-122.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C2=CC=CC=C12	REAL300000547375	0	39	-2.0	-128.95	339.75	6.79	-122.16
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300000547376	1	37	-2.0	-118.76	338.91	4.31	-114.45
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300000547377	0	44	-2.0	-115.04	385.11	5.43	-109.61
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300000547378	0	30	-2.0	-111.46	308.49	4.55	-106.91
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)O1	REAL300000547379	0	36	-2.0	-126.15	344.60	0.24	-125.91
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300000547380	0	40	-2.0	-120.33	358.40	5.38	-114.95
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300000547384	0	34	-2.0	-118.57	324.80	5.26	-113.31
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300000547385	0	33	-2.0	-107.63	326.43	4.75	-102.88
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300000547387	0	26	-2.0	-106.60	284.90	2.36	-104.24
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000547388	0	40	-2.0	-118.53	367.65	5.85	-112.68
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=NN1	REAL300000547389	0	36	-2.0	-114.96	341.18	1.75	-113.21
COC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1OC	REAL300000547390	0	35	-2.0	-121.53	333.91	1.97	-119.56
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000547391	0	31	-2.0	-103.85	314.47	2.55	-101.30
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000547391	1	30	-3.0	-170.53	317.55	2.99	-167.54
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300000547392	0	29	-2.0	-102.83	298.61	2.58	-100.25
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300000547393	0	34	-2.0	-117.68	326.32	4.86	-112.82
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300000547394	0	34	-2.0	-116.82	326.47	3.59	-113.23
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300000547395	0	36	-2.0	-114.46	324.38	3.94	-110.52
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300000547396	0	37	-2.0	-125.60	334.70	5.71	-119.89
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300000547397	0	33	-2.0	-119.43	311.66	5.34	-114.09
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300000547398	0	39	-2.0	-113.87	359.85	4.43	-109.44
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300000547399	0	27	-2.0	-106.69	306.05	4.04	-102.65
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300000547400	0	30	-2.0	-112.60	300.86	2.00	-110.60
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547401	0	43	-2.0	-117.85	373.13	6.33	-111.52
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300000547402	0	35	-2.0	-115.46	333.65	4.62	-110.84
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300000547403	0	41	-2.0	-121.01	369.71	6.80	-114.21
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300000547404	0	36	-2.0	-132.11	318.81	5.77	-126.34
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300000547405	0	28	-2.0	-119.97	285.13	2.39	-117.58
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300000547406	0	35	-2.0	-115.13	335.84	2.53	-112.60
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300000547407	0	31	-2.0	-118.51	322.47	2.74	-115.77
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000547408	0	39	-2.0	-122.60	364.18	2.93	-119.67
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)S1	REAL300000547408	1	38	-3.0	-180.43	360.88	1.80	-178.63
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547409	0	32	-2.0	-109.59	308.72	3.34	-106.25
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547410	0	41	-2.0	-122.27	364.65	5.57	-116.70
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C2CC2)=N1	REAL300000547411	0	40	-2.0	-118.70	359.64	4.69	-114.01
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C2=NSN=C2C=C1	REAL300000547412	0	34	-2.0	-126.90	318.98	3.31	-123.59
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300000547413	0	36	-2.0	-116.72	343.62	6.73	-109.99
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C(Cl)S1	REAL300000547416	0	33	-2.0	-122.56	337.29	4.87	-117.69
CCC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=CC=C1Br	REAL300000547417	0	36	-2.0	-113.59	340.02	5.82	-107.77
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547418	0	43	-2.0	-115.78	368.87	5.10	-110.68
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300000547419	0	27	-2.0	-114.38	279.77	2.44	-111.94
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300000547420	0	27	-2.0	-112.00	289.78	3.45	-108.55
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547421	0	44	-2.0	-128.22	385.79	4.25	-123.97
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300000547422	0	36	-2.0	-122.31	339.82	6.79	-115.52
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300000547423	0	38	-2.0	-110.86	333.27	1.70	-109.16
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300000547424	0	37	-2.0	-124.60	324.53	6.11	-118.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C)=N1	REAL300000547428	0	36	-2.0	-111.50	323.82	1.39	-110.11
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547429	0	36	-2.0	-122.55	328.39	1.76	-120.79
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300000547430	1	45	-2.0	-116.55	382.88	4.32	-112.23
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547431	0	33	-2.0	-116.23	323.69	1.62	-114.61
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C	REAL300000547432	0	36	-2.0	-112.20	328.29	1.36	-110.84
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300000547433	0	39	-2.0	-115.40	348.37	4.04	-111.36
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547434	0	39	-2.0	-116.08	346.40	3.62	-112.46
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300000547435	0	29	-2.0	-114.30	308.31	1.93	-112.37
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300000547436	0	28	-2.0	-116.95	283.92	2.35	-114.60
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300000547437	0	28	-2.0	-123.67	291.50	3.29	-120.38
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300000547439	0	36	-2.0	-113.32	323.89	3.15	-110.17
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C	REAL300000547440	0	38	-2.0	-109.54	347.79	3.32	-106.22
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000547441	0	39	-3.0	-177.98	354.03	6.34	-171.64
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000547441	1	40	-2.0	-101.90	354.97	6.41	-95.49
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300000547442	0	33	-2.0	-125.14	320.31	5.72	-119.42
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300000547443	0	37	-2.0	-114.31	334.64	4.02	-110.29
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300000547444	0	37	-2.0	-121.91	335.39	4.99	-116.92
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=NN1C(C)C	REAL300000547446	0	39	-2.0	-117.83	345.46	3.70	-114.13
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300000547447	0	37	-2.0	-118.70	340.84	6.14	-112.56
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300000547448	0	32	-2.0	-117.91	310.23	3.06	-114.85
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(S(=O)(=O)F)=CS1	REAL300000547449	0	30	-2.0	-116.86	319.62	0.13	-116.73
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300000547451	1	44	-2.0	-116.98	390.57	7.51	-109.47
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300000547452	0	37	-2.0	-119.89	342.48	6.18	-113.71
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300000547453	0	34	-2.0	-119.66	331.43	4.42	-115.24
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000547454	0	39	-3.0	-181.68	353.52	6.38	-175.30
CC1=NC=C(C(=O)[O-])C=C1NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000547454	1	40	-2.0	-119.90	352.98	6.40	-113.50
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC(O)=C1	REAL300000547455	0	31	-2.0	-119.09	291.99	1.09	-118.00
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547456	0	39	-2.0	-124.60	348.29	5.73	-118.87
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300000547457	0	33	-2.0	-121.36	318.65	4.87	-116.49
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300000547458	0	34	-2.0	-128.45	328.87	3.21	-125.24
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300000547459	0	37	-2.0	-124.80	336.81	6.24	-118.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(Cl)=C1Cl	REAL300000547460	0	33	-2.0	-116.90	328.02	5.56	-111.34
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300000547461	0	34	-2.0	-112.94	332.46	3.80	-109.14
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300000547462	0	37	-2.0	-116.66	348.92	5.00	-111.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C(C(F)F)=C1	REAL300000547463	0	37	-2.0	-117.46	331.99	4.45	-113.01
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C1C(=O)OC	REAL300000547464	0	43	-2.0	-116.49	384.91	5.56	-110.93
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CN=C3C)C=C2C1	REAL300000547465	0	43	-2.0	-122.68	380.28	6.47	-116.21
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547466	0	35	-2.0	-126.56	321.76	3.55	-123.01
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547467	0	36	-2.0	-115.00	346.07	2.11	-112.89
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CN=C1C	REAL300000547468	0	36	-2.0	-137.09	330.31	5.49	-131.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C2=NC=CC=C12	REAL300000547469	0	38	-2.0	-136.22	338.70	5.11	-131.11
CCC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C(C(=O)[O-])O1	REAL300000547470	0	35	-3.0	-178.87	331.56	4.51	-174.36
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547471	0	43	-2.0	-129.65	370.44	5.95	-123.70
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)C=C(Cl)S1	REAL300000547472	0	30	-2.0	-112.26	307.52	4.34	-107.92
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300000547473	0	37	-2.0	-118.78	353.33	4.91	-113.87
CC1=NC=C(C(=O)[O-])C=C1[N-]S(=O)(=O)C1=C2CCCCN2N=C1	REAL300000547474	0	37	-2.0	-118.78	326.70	3.27	-115.51
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300000547475	0	33	-2.0	-123.72	307.87	4.67	-119.05
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000547476	1	37	-2.0	-110.59	350.24	4.61	-105.98
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000547477	1	37	-2.0	-98.61	345.72	4.60	-94.01
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000547478	1	37	-2.0	-113.24	345.71	4.58	-108.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(P(C)(C)=O)C=C1	REAL300000547479	0	41	-2.0	-116.26	373.89	4.39	-111.87
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300000547480	1	41	-2.0	-98.24	377.16	5.88	-92.36
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000547481	1	40	-2.0	-113.82	365.82	5.24	-108.58
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300000547482	0	37	-2.0	-106.36	358.82	5.17	-101.19
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000547483	1	37	-2.0	-108.99	358.22	4.98	-104.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)=C1C	REAL300000547484	1	43	-2.0	-113.46	378.14	5.90	-107.56
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000547485	0	37	-2.0	-108.11	351.23	4.66	-103.45
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300000547486	1	43	-2.0	-97.52	389.27	6.17	-91.35
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000547487	0	34	-2.0	-105.20	338.93	3.61	-101.59
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(P(C)(C)=O)C=C1	REAL300000547488	1	40	-2.0	-111.60	361.18	5.38	-106.22
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300000547489	1	41	-2.0	-97.00	376.78	4.87	-92.13
CN1C=C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000547490	0	38	-2.0	-109.27	352.38	3.94	-105.33
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(P(C)(C)=O)C=C1	REAL300000547491	1	41	-2.0	-112.19	369.52	3.43	-108.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)=C1	REAL300000547492	0	37	-2.0	-101.35	354.84	4.27	-97.08
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000547493	1	43	-2.0	-113.15	376.77	5.94	-107.21
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000547494	0	34	-2.0	-106.93	337.38	3.63	-103.30
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000547495	1	41	-2.0	-117.20	373.02	4.66	-112.54
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(P(C)(C)=O)C=C1	REAL300000547496	1	46	-2.0	-113.76	399.65	6.59	-107.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(P(C)(C)=O)C=C1	REAL300000547497	1	43	-2.0	-109.93	375.89	6.31	-103.62
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(P(C)(C)=O)C=C1	REAL300000547498	0	44	-2.0	-116.98	396.18	5.16	-111.82
CP(C)(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000547499	0	40	-2.0	-113.85	376.81	5.10	-108.75
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300000547499	1	39	-3.0	-185.94	374.11	5.15	-180.79
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300000547500	1	44	-2.0	-116.29	389.95	6.48	-109.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000547501	0	37	-2.0	-104.69	348.74	3.73	-100.96
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)=C1	REAL300000547502	0	41	-2.0	-112.02	374.67	3.67	-108.35
CC1=CC(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)=CC=C1OCC(=O)[O-]	REAL300000547503	1	44	-2.0	-97.47	396.88	5.57	-91.90
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(P(C)(C)=O)C=C1	REAL300000547504	1	40	-2.0	-102.18	366.47	5.42	-96.76
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000547505	1	44	-2.0	-119.23	394.84	5.56	-113.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)C=C(C(=O)[O-])S1	REAL300000547506	0	37	-2.0	-108.00	354.35	4.48	-103.52
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000547507	0	37	-2.0	-96.16	358.80	5.15	-91.01
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000547508	1	37	-2.0	-98.11	350.27	4.63	-93.48
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000547509	0	34	-2.0	-100.17	337.98	3.71	-96.46
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000547510	1	37	-2.0	-102.11	352.11	4.65	-97.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)=C1F	REAL300000547511	0	40	-2.0	-109.74	371.47	5.29	-104.45
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000547512	0	37	-2.0	-98.14	351.21	4.66	-93.48
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300000547513	1	37	-2.0	-96.22	358.23	5.00	-91.22
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000547514	1	37	-2.0	-100.23	356.56	4.69	-95.54
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300000547515	0	39	-2.0	-96.19	373.90	5.25	-90.94
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000547516	0	38	-2.0	-110.46	355.47	2.31	-108.15
CP(C)(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000547516	1	38	-2.0	-107.66	354.65	3.10	-104.56
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000547517	1	40	-2.0	-102.10	367.88	5.37	-96.73
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(P(C)(C)=O)C=C1	REAL300000547518	1	40	-2.0	-108.27	359.53	5.32	-102.95
CC1=CC(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)=CC(C(=O)[O-])=C1F	REAL300000547519	1	40	-2.0	-109.64	370.54	5.23	-104.41
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(P(C)(C)=O)C=C1	REAL300000547520	1	40	-2.0	-98.70	361.16	5.36	-93.34
CC1=CC(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)=CC(C(=O)[O-])=C1C	REAL300000547521	1	43	-2.0	-114.47	378.58	5.65	-108.82
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300000547522	0	39	-2.0	-109.63	372.30	5.67	-103.96
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300000547523	0	37	-2.0	-99.73	357.48	4.71	-95.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)C(C)=C1C(=O)[O-]	REAL300000547524	1	43	-2.0	-111.78	380.23	5.98	-105.80
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000547525	0	40	-2.0	-109.41	367.19	5.18	-104.23
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)=C1	REAL300000547526	0	40	-2.0	-116.43	370.76	5.28	-111.15
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000547527	1	43	-2.0	-115.19	379.65	5.77	-109.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)C=C1CC(=O)[O-]	REAL300000547528	1	44	-2.0	-115.26	396.17	4.71	-110.55
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000547529	0	41	-2.0	-110.54	373.75	4.81	-105.73
CC1=CC(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000547530	1	40	-2.0	-100.56	361.72	5.13	-95.43
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(P(C)(C)=O)C=C1	REAL300000547531	1	40	-2.0	-108.97	365.70	5.41	-103.56
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300000547532	0	39	-2.0	-118.13	369.46	6.44	-111.69
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000547533	0	37	-2.0	-115.65	349.38	4.61	-111.04
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)C=C1C(=O)[O-]	REAL300000547534	1	40	-2.0	-103.88	370.69	5.26	-98.62
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000547535	0	36	-2.0	-108.67	341.92	2.70	-105.97
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(P(C)(C)=O)C=C1	REAL300000547536	0	41	-2.0	-102.83	373.95	4.39	-98.44
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000547537	0	34	-2.0	-98.60	345.88	3.57	-95.03
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300000547538	1	44	-2.0	-105.05	391.85	6.47	-98.58
CP(C)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300000547539	1	44	-2.0	-107.63	391.18	6.46	-101.17
CCC1=C(S(=O)(=O)[N-]C2=CC=C(P(C)(C)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000547540	0	40	-2.0	-104.86	367.83	4.57	-100.29
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)N=CO1	REAL300000547541	0	37	-3.0	-194.79	357.07	-2.96	-197.75
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)N=CO1	REAL300000547542	0	30	-3.0	-216.79	306.73	-1.49	-218.28
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=C(C)OC=N1	REAL300000547543	0	38	-3.0	-216.66	361.82	-0.42	-217.08
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)N=CO1	REAL300000547544	0	30	-3.0	-203.53	300.60	-1.54	-205.07
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)N=CO1	REAL300000547545	0	30	-3.0	-222.38	302.20	-1.52	-223.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=C(C)OC=N1	REAL300000547546	0	34	-3.0	-227.58	330.34	-1.70	-229.28
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)N=CO1	REAL300000547547	0	34	-3.0	-201.68	332.07	-0.25	-201.93
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)N=CO1	REAL300000547548	0	33	-3.0	-224.89	316.65	-1.01	-225.90
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)N=CO1	REAL300000547549	0	30	-3.0	-214.20	315.27	-0.97	-215.17
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)N=CO1	REAL300000547550	0	30	-3.0	-216.56	314.70	-1.12	-217.68
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)N=CO1	REAL300000547551	0	30	-3.0	-208.21	326.18	-0.62	-208.83
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)N=CO1	REAL300000547552	0	36	-3.0	-222.42	333.29	-0.28	-222.70
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)N=CO1	REAL300000547553	0	30	-3.0	-218.36	307.68	-1.45	-219.81
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)N=CO1	REAL300000547554	0	36	-3.0	-201.71	344.18	0.05	-201.66
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)N=CO1	REAL300000547555	0	27	-3.0	-213.09	295.38	-2.49	-215.58
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)N=CO1	REAL300000547556	0	33	-3.0	-219.52	316.05	-0.78	-220.30
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)N=CO1	REAL300000547557	0	34	-3.0	-200.51	331.68	-1.26	-201.77
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)N=CO1	REAL300000547558	0	31	-3.0	-219.43	307.26	-2.19	-221.62
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)N=CO1	REAL300000547559	0	34	-3.0	-219.62	326.40	-2.72	-222.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-][N-]C(=O)C2=C(C)OC=N2)=C1	REAL300000547560	0	30	-3.0	-207.89	309.73	-1.86	-209.75
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)N=CO1	REAL300000547561	0	36	-3.0	-222.38	331.69	-0.28	-222.66
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)N=CO1	REAL300000547562	0	27	-3.0	-215.20	292.27	-2.52	-217.72
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=C(C)OC=N2)=CC(C(=O)[O-])=C1OC	REAL300000547563	0	38	-3.0	-221.85	360.51	-1.71	-223.56
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C(C)OC=N2)C=C1C(=O)[O-]	REAL300000547564	0	34	-3.0	-228.15	327.90	-1.48	-229.63
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)N=CO1	REAL300000547565	0	40	-3.0	-227.39	357.44	1.01	-226.38
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)N=CO1	REAL300000547566	0	39	-3.0	-224.21	356.10	0.44	-223.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=C(C)OC=N1	REAL300000547567	0	36	-3.0	-215.60	332.33	-0.01	-215.61
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-][N-]C(=O)C1=C(C)OC=N1	REAL300000547568	0	37	-3.0	-233.06	352.63	-0.95	-234.01
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)N=CO1	REAL300000547569	0	32	-4.0	-313.98	330.60	-0.95	-314.93
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)N=CO1	REAL300000547570	0	37	-3.0	-227.46	346.44	0.35	-227.11
CC1=C(S(=O)(=O)[N-][N-]C(=O)C2=C(C)OC=N2)C=C(C(=O)[O-])O1	REAL300000547571	0	30	-3.0	-208.83	305.21	-2.37	-211.20
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)N=CO1	REAL300000547572	0	36	-3.0	-227.87	344.36	-1.74	-229.61
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)N=CO1	REAL300000547573	0	34	-3.0	-227.34	329.52	-2.44	-229.78
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)N=CO1	REAL300000547574	0	38	-3.0	-204.72	355.83	-0.90	-205.62
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)N=CO1	REAL300000547575	0	30	-3.0	-208.75	328.30	-0.69	-209.44
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)N=CO1	REAL300000547576	0	30	-3.0	-207.92	318.20	-0.97	-208.89
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)N=CO1	REAL300000547577	0	34	-3.0	-197.80	349.30	-0.69	-198.49
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)N=CO1	REAL300000547578	0	37	-3.0	-201.51	351.76	-0.55	-202.06
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)N=CO1	REAL300000547579	0	33	-3.0	-207.92	321.33	-0.75	-208.67
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)N=CO1	REAL300000547580	0	43	-3.0	-200.60	394.21	0.38	-200.22
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)N=CO1	REAL300000547581	0	34	-3.0	-198.08	339.49	-1.17	-199.25
CCOC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C(C)OC=N2)C=C1C(=O)[O-]	REAL300000547582	0	37	-3.0	-229.17	351.33	-0.54	-229.71
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)N=CO1	REAL300000547583	0	30	-3.0	-214.05	310.80	-1.63	-215.68
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)N=CO1	REAL300000547584	0	30	-3.0	-206.70	330.42	-0.52	-207.22
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)N=CO1	REAL300000547585	0	30	-3.0	-200.06	313.66	-1.01	-201.07
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)N=CO1	REAL300000547586	0	30	-3.0	-201.26	305.14	-1.50	-202.76
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)N=CO1	REAL300000547587	0	27	-3.0	-205.62	292.89	-2.41	-208.03
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)N=CO1	REAL300000547588	0	30	-3.0	-210.58	308.60	-1.45	-212.03
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=C(F)C(C)=CC(C(=O)[O-])=C2)N=CO1	REAL300000547589	0	33	-3.0	-220.80	326.36	-0.84	-221.64
COC1=CC(S(=O)(=O)[N-][N-]C(=O)C2=C(C)OC=N2)=C(Cl)C=C1C(=O)[O-]	REAL300000547590	0	34	-3.0	-204.45	340.92	-0.94	-205.39
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)N=CO1	REAL300000547591	0	30	-3.0	-204.35	306.10	-1.47	-205.82
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)N=CO1	REAL300000547592	0	30	-3.0	-200.40	313.11	-1.14	-201.54
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)N=CO1	REAL300000547593	0	33	-3.0	-210.20	330.06	-0.36	-210.56
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)N=CO1	REAL300000547594	0	38	-3.0	-197.19	364.36	-0.13	-197.32
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)N=CO1	REAL300000547595	0	30	-3.0	-205.67	311.45	-1.45	-207.12
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)N=CO1	REAL300000547596	0	32	-3.0	-203.11	328.81	-0.88	-203.99
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)N=CO1	REAL300000547597	0	31	-3.0	-216.99	311.91	-3.81	-220.80
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)N=CO1	REAL300000547598	0	33	-3.0	-208.41	322.78	-0.76	-209.17
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)N=CO1	REAL300000547599	0	30	-3.0	-208.17	321.33	-1.01	-209.18
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)N=CO1	REAL300000547600	0	33	-3.0	-219.67	310.16	-0.95	-220.62
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(C)=C2)N=CO1	REAL300000547601	0	33	-3.0	-218.91	325.46	-0.89	-219.80
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)N=CO1	REAL300000547602	0	33	-3.0	-202.63	317.61	-0.76	-203.39
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)N=CO1	REAL300000547603	0	36	-3.0	-229.35	339.00	-0.35	-229.70
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)N=CO1	REAL300000547604	0	32	-3.0	-214.10	327.19	-0.46	-214.56
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)N=CO1	REAL300000547605	0	30	-3.0	-208.21	313.95	-1.39	-209.60
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)N=CO1	REAL300000547606	0	36	-3.0	-224.55	335.08	-0.18	-224.73
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=C(F)C=C(C)C(C(=O)[O-])=C2)N=CO1	REAL300000547607	0	33	-3.0	-220.65	322.09	-0.94	-221.59
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=C(Cl)C(C)=CC(C(=O)[O-])=C2)N=CO1	REAL300000547608	0	33	-3.0	-216.87	332.38	-0.43	-217.30
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)N=CO1	REAL300000547609	0	33	-3.0	-231.35	325.65	-0.85	-232.20
CCC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C(C)OC=N2)C=C1C(=O)[O-]	REAL300000547610	0	36	-3.0	-226.28	336.13	-0.33	-226.61
COC1=CC=C(S(=O)(=O)[N-][N-]C(=O)C2=C(C)OC=N2)C=C1CC(=O)[O-]	REAL300000547611	0	37	-3.0	-228.42	351.09	-1.41	-229.83
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)N=CO1	REAL300000547612	0	33	-3.0	-210.64	326.88	-0.44	-211.08
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)N=CO1	REAL300000547613	0	33	-3.0	-198.71	330.73	-0.74	-199.45
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C(C)=C2)N=CO1	REAL300000547614	0	33	-3.0	-219.22	331.86	-0.59	-219.81
CCN1C=C(S(=O)(=O)[N-][N-]C(=O)C2=C(C)OC=N2)C=C1C(=O)[O-]	REAL300000547615	0	34	-3.0	-221.36	328.65	-1.32	-222.68
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)N=CO1	REAL300000547616	0	42	-3.0	-221.62	365.61	1.29	-220.33
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)N=CO1	REAL300000547617	0	30	-3.0	-204.57	327.78	-0.96	-205.53
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)N=CO1	REAL300000547618	0	33	-3.0	-216.53	335.94	-0.45	-216.98
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)N=CO1	REAL300000547619	0	39	-3.0	-213.36	350.34	0.35	-213.01
COC1=CC(Cl)=C(S(=O)(=O)[N-][N-]C(=O)C2=C(C)OC=N2)C=C1C(=O)[O-]	REAL300000547620	0	34	-3.0	-219.51	340.93	-0.94	-220.45
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)N=CO1	REAL300000547621	0	33	-3.0	-204.50	316.63	-1.00	-205.50
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])N=CO1	REAL300000547622	0	35	-3.0	-210.96	345.47	0.54	-210.42
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)N=CO1	REAL300000547623	0	33	-3.0	-213.97	322.15	-0.72	-214.69
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])N=CO1	REAL300000547624	0	32	-3.0	-232.79	324.34	0.30	-232.49
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)N=CO1	REAL300000547625	0	30	-3.0	-229.77	304.23	-1.52	-231.29
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)N=CO1	REAL300000547626	0	33	-3.0	-213.84	327.14	-0.84	-214.68
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)N=CO1	REAL300000547627	0	36	-3.0	-233.83	341.66	0.58	-233.25
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)N=CO1	REAL300000547628	0	29	-3.0	-220.23	298.42	-3.39	-223.62
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-][N-]C(=O)C1=C(C)OC=N1	REAL300000547629	0	34	-3.0	-210.03	328.82	-1.73	-211.76
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)N=CO1	REAL300000547630	0	27	-3.0	-202.01	300.76	-2.58	-204.59
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)N=CO1	REAL300000547631	0	37	-3.0	-211.45	348.32	0.37	-211.08
CC1=C(C(=O)[N-][N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)N=CO1	REAL300000547632	0	37	-3.0	-223.37	346.07	0.34	-223.03
CCC1=C(S(=O)(=O)[N-][N-]C(=O)C2=C(C)OC=N2)C=C(C(=O)[O-])O1	REAL300000547633	0	33	-3.0	-208.30	322.78	-1.62	-209.92
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1	REAL300000547634	1	43	-2.0	-90.13	374.60	3.77	-86.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=CC=C1F	REAL300000547635	1	36	-2.0	-106.51	322.67	5.21	-101.30
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCOC2	REAL300000547636	0	44	-2.0	-108.43	377.76	6.26	-102.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1	REAL300000547637	1	36	-2.0	-96.84	318.08	5.19	-91.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1	REAL300000547638	1	36	-2.0	-110.23	318.14	5.18	-105.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCOC2	REAL300000547639	0	40	-2.0	-115.86	346.28	4.98	-110.88
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1	REAL300000547640	1	40	-2.0	-96.29	349.59	6.47	-89.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1C(=O)[O-]	REAL300000547641	1	39	-2.0	-112.82	338.21	5.82	-107.00
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1	REAL300000547642	0	36	-2.0	-105.47	331.21	5.75	-99.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=CC=C1Cl	REAL300000547643	1	36	-2.0	-104.98	330.65	5.57	-99.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1C	REAL300000547644	1	42	-2.0	-113.10	351.25	6.51	-106.59
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1	REAL300000547645	0	36	-2.0	-107.46	323.62	5.24	-102.22
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1	REAL300000547646	1	42	-2.0	-95.71	361.71	6.77	-88.94
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1	REAL300000547647	0	33	-2.0	-104.26	311.28	4.19	-100.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCOC2	REAL300000547648	1	39	-2.0	-111.09	333.57	5.96	-105.13
CN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1C(=O)[O-]	REAL300000547650	0	37	-2.0	-108.43	324.74	4.53	-103.90
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1	REAL300000547652	0	36	-2.0	-99.78	327.26	4.86	-94.92
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=CS1	REAL300000547654	0	33	-2.0	-104.93	309.73	4.21	-100.72
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=CC(C(=O)[O-])=C1OC	REAL300000547655	1	44	-2.0	-110.55	376.48	4.99	-105.56
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1	REAL300000547657	1	46	-2.0	-115.21	373.38	7.81	-107.40
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCOC2	REAL300000547658	1	45	-2.0	-113.38	372.04	7.18	-106.20
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCOC2	REAL300000547659	1	42	-2.0	-109.23	344.66	6.77	-102.46
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCOC2	REAL300000547660	0	43	-2.0	-116.40	368.57	5.74	-110.66
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC3=C2CCOC3)=CC(C(=O)[O-])=C1	REAL300000547661	0	39	-2.0	-107.95	345.92	5.65	-102.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=CC(C(=O)[O-])=C1	REAL300000547661	1	38	-3.0	-185.89	346.55	5.74	-180.15
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1	REAL300000547662	1	43	-2.0	-115.58	362.35	7.08	-108.50
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C(C(=O)[O-])O1	REAL300000547663	0	36	-2.0	-103.78	321.15	4.32	-99.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=CC2=C1OCCO2	REAL300000547664	1	42	-2.0	-115.02	360.28	4.95	-110.07
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1	REAL300000547665	0	40	-2.0	-110.00	347.13	4.27	-105.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C(Cl)C=C1F	REAL300000547667	0	36	-2.0	-101.99	335.74	5.77	-96.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1Cl	REAL300000547668	1	40	-2.0	-93.36	365.24	6.00	-87.36
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCOC2	REAL300000547670	1	39	-2.0	-101.38	338.80	6.00	-95.38
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1F	REAL300000547671	1	40	-2.0	-94.26	355.44	5.53	-88.73
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C(C(=O)[O-])S1	REAL300000547673	1	36	-2.0	-107.43	326.77	5.07	-102.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C(Cl)=C1	REAL300000547674	0	36	-2.0	-94.09	331.19	5.74	-88.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1F	REAL300000547675	1	36	-2.0	-96.12	322.66	5.22	-90.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)S1	REAL300000547676	0	33	-2.0	-98.48	310.40	4.31	-94.17
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1	REAL300000547677	1	36	-2.0	-100.06	324.55	5.24	-94.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1F	REAL300000547678	0	39	-2.0	-109.04	343.90	5.88	-103.16
COC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C(Cl)C=C1C(=O)[O-]	REAL300000547679	0	40	-2.0	-98.73	358.45	5.81	-92.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C(F)=C1	REAL300000547680	0	36	-2.0	-96.25	323.60	5.25	-91.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1Cl	REAL300000547681	1	36	-2.0	-94.29	330.63	5.58	-88.71
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCOC2	REAL300000547682	1	39	-2.0	-103.14	347.54	6.38	-96.76
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1	REAL300000547683	1	44	-2.0	-92.97	381.83	6.59	-86.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=CC(F)=C1F	REAL300000547684	1	36	-2.0	-98.77	328.96	5.27	-93.50
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1	REAL300000547685	0	38	-2.0	-94.74	346.33	5.85	-88.89
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1	REAL300000547686	0	37	-2.0	-109.89	327.86	2.89	-107.00
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC3=C2CCOC3)=C1	REAL300000547686	1	37	-2.0	-108.78	324.56	3.73	-105.05
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1	REAL300000547687	1	39	-2.0	-100.72	340.31	5.96	-94.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=CC(Cl)=C1F	REAL300000547688	1	36	-2.0	-100.25	338.85	5.71	-94.54
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCOC2	REAL300000547689	1	39	-2.0	-105.09	328.21	5.81	-99.28
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=CC(C(=O)[O-])=C1F	REAL300000547690	1	39	-2.0	-108.88	342.98	5.83	-103.05
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=CC(C(=O)[O-])=C1C	REAL300000547692	1	42	-2.0	-113.87	354.95	6.35	-107.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=CC=C1[N+](=O)[O-]	REAL300000547693	0	38	-2.0	-106.94	344.70	6.27	-100.67
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1	REAL300000547694	0	36	-2.0	-98.80	329.88	5.30	-93.50
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1C(=O)[O-]	REAL300000547696	0	39	-2.0	-108.72	339.62	5.78	-102.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1Cl	REAL300000547697	0	39	-2.0	-107.35	349.90	6.32	-101.03
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1	REAL300000547698	0	39	-2.0	-114.02	343.16	5.87	-108.15
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1C(=O)[O-]	REAL300000547699	1	42	-2.0	-111.25	352.38	6.37	-104.88
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCOC2	REAL300000547701	1	39	-2.0	-98.40	344.36	6.35	-92.05
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=CC(C(=O)[O-])=C1Cl	REAL300000547702	1	39	-2.0	-107.77	349.36	6.14	-101.63
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1C(=O)[O-]	REAL300000547703	0	40	-2.0	-109.74	346.17	5.39	-104.35
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1C(=O)[O-]	REAL300000547705	1	39	-2.0	-103.44	348.01	6.14	-97.30
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C(C(=O)[O-])S1	REAL300000547706	0	45	-2.0	-106.63	365.49	7.23	-99.40
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1C(=O)[O-]	REAL300000547707	0	40	-2.0	-111.07	358.47	5.81	-105.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=CC=C1C(=O)[O-]	REAL300000547708	1	39	-2.0	-97.07	334.15	5.72	-91.35
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C([N+](=O)[O-])=C1	REAL300000547709	0	41	-2.0	-101.56	361.41	7.37	-94.19
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1[N+](=O)[O-]	REAL300000547711	0	38	-2.0	-115.74	341.84	7.04	-108.70
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1F	REAL300000547712	0	36	-2.0	-113.15	321.78	5.20	-107.95
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C1C(=O)[O-]	REAL300000547713	1	39	-2.0	-101.73	339.31	5.75	-95.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=CC2=CC=CC=C21	REAL300000547714	1	42	-2.0	-117.67	359.14	7.30	-110.37
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C1	REAL300000547715	0	35	-2.0	-107.96	314.36	3.30	-104.66
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1CCOC2	REAL300000547716	0	40	-2.0	-101.24	346.34	4.97	-96.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)=C(Cl)O1	REAL300000547717	0	33	-2.0	-97.36	318.25	4.15	-93.21
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3CCOC4)C=C2)CC1	REAL300000547718	1	43	-2.0	-103.88	364.23	7.06	-96.82
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC4=C3CCOC4)C=C2C1	REAL300000547719	1	43	-2.0	-107.46	363.54	7.07	-100.39
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2CCOC3)C=C(C(=O)[O-])O1	REAL300000547720	0	39	-2.0	-103.58	338.48	5.12	-98.46
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NNC2=NC=C(C(F)(F)F)C=C2F)=C1	REAL300000547737	0	33	-2.0	-101.12	328.96	3.68	-97.44
CC1=CC(C(F)(F)F)=CN=C1NNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000547762	0	36	-2.0	-100.58	341.37	4.30	-96.28
CC1=CC(C(F)(F)F)=CN=C1N[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000547770	1	32	-2.0	-93.04	338.88	4.55	-88.49
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000547772	0	42	-2.0	-97.97	387.08	-0.31	-98.28
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000547773	0	35	-2.0	-115.09	335.16	1.13	-113.96
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300000547774	0	43	-2.0	-114.04	390.24	2.21	-111.83
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000547775	0	35	-2.0	-105.14	330.61	1.11	-104.03
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000547776	0	35	-2.0	-117.59	330.63	1.10	-116.49
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000547777	0	39	-2.0	-121.37	358.77	0.92	-120.45
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000547778	0	39	-2.0	-103.95	362.07	2.39	-101.56
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000547779	0	38	-2.0	-118.96	346.64	1.63	-117.33
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000547780	0	35	-2.0	-111.61	343.70	1.67	-109.94
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000547781	0	35	-2.0	-113.44	343.13	1.49	-111.95
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000547782	0	41	-2.0	-118.26	363.73	2.43	-115.83
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000547783	0	35	-2.0	-113.61	336.10	1.16	-112.45
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000547784	0	41	-2.0	-102.95	374.20	2.69	-100.26
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000547785	0	32	-2.0	-111.92	323.81	0.13	-111.79
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000547786	0	38	-2.0	-116.35	346.06	1.88	-114.47
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000547787	0	39	-2.0	-102.76	361.69	1.38	-101.38
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000547788	0	36	-2.0	-116.33	337.27	0.45	-115.88
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000547789	0	39	-2.0	-116.45	354.83	-0.09	-116.54
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000547790	0	35	-2.0	-108.22	339.76	0.80	-107.42
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000547791	0	41	-2.0	-117.57	362.07	2.42	-115.15
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000547792	0	32	-2.0	-113.36	322.28	0.15	-113.21
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300000547793	0	43	-2.0	-118.57	388.95	0.91	-117.66
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300000547794	0	39	-2.0	-123.57	357.92	1.18	-122.39
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000547795	0	45	-2.0	-120.59	385.86	3.75	-116.84
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000547796	0	44	-2.0	-118.42	384.52	3.12	-115.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C(=O)NC	REAL300000547797	0	41	-2.0	-113.30	359.17	2.82	-110.48
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300000547798	0	42	-2.0	-123.63	381.06	1.68	-121.95
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000547799	0	37	-3.0	-194.99	359.03	1.66	-193.33
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000547800	0	42	-2.0	-120.97	374.87	3.00	-117.97
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000547801	0	35	-2.0	-110.32	333.63	0.24	-110.08
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000547802	0	41	-2.0	-122.84	372.80	0.87	-121.97
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000547803	0	39	-2.0	-120.96	359.54	0.21	-120.75
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000547804	0	43	-2.0	-104.12	384.26	1.71	-102.41
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000547805	0	35	-2.0	-108.28	348.22	1.70	-106.58
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000547806	0	42	-2.0	-103.29	381.78	2.09	-101.20
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000547807	0	38	-2.0	-107.47	351.34	1.92	-105.55
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000547808	0	39	-2.0	-102.25	367.92	1.45	-100.80
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)NC)C=C1C(=O)[O-]	REAL300000547809	0	42	-2.0	-124.24	379.76	2.07	-122.17
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000547810	0	35	-2.0	-113.08	339.25	1.00	-112.08
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000547811	0	35	-2.0	-102.64	343.67	1.66	-100.98
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000547812	0	35	-2.0	-104.64	335.16	1.14	-103.50
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000547813	0	32	-2.0	-106.93	322.89	0.24	-106.69
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000547814	0	35	-2.0	-108.59	337.04	1.17	-107.42
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000547815	0	38	-2.0	-115.20	356.37	1.79	-113.41
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000547816	0	35	-2.0	-104.99	336.09	1.17	-103.82
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000547817	0	35	-2.0	-102.72	343.13	1.50	-101.22
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000547818	0	38	-2.0	-109.04	360.07	2.30	-106.74
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000547819	0	43	-2.0	-100.48	394.37	2.51	-97.97
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000547820	0	35	-2.0	-106.78	341.44	1.19	-105.59
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000547821	0	37	-2.0	-102.74	358.81	1.77	-100.97
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000547822	0	35	-3.0	-216.18	336.78	-0.29	-216.47
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000547822	1	36	-2.0	-114.35	340.34	-1.16	-115.51
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000547823	0	38	-2.0	-107.45	352.80	1.88	-105.57
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000547824	0	35	-2.0	-108.19	351.33	1.63	-106.56
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000547825	0	38	-2.0	-115.24	340.66	1.74	-113.50
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000547826	0	38	-2.0	-116.57	355.46	1.75	-114.82
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000547827	0	38	-2.0	-104.90	346.04	1.87	-103.03
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000547828	0	41	-2.0	-120.97	363.51	2.17	-118.80
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000547829	0	37	-2.0	-116.02	357.18	2.20	-113.82
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000547830	0	35	-2.0	-105.76	342.36	1.23	-104.53
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000547831	0	41	-2.0	-119.64	365.10	2.49	-117.15
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000547832	0	38	-2.0	-114.80	352.10	1.70	-113.10
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000547833	0	38	-2.0	-113.49	362.41	2.25	-111.24
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000547834	0	38	-2.0	-124.53	355.64	1.79	-122.74
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)NC)C=C1C(=O)[O-]	REAL300000547835	0	41	-2.0	-119.58	364.95	2.29	-117.29
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300000547836	0	42	-2.0	-122.01	381.10	1.23	-120.78
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000547837	0	38	-2.0	-108.19	356.89	2.28	-105.91
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000547838	0	38	-2.0	-115.37	361.85	2.06	-113.31
CCN1C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)NC)C=C1C(=O)[O-]	REAL300000547839	0	39	-2.0	-117.67	358.65	1.32	-116.35
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000547840	0	47	-2.0	-120.27	395.77	3.98	-116.29
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000547841	0	38	-2.0	-111.24	360.49	2.07	-109.17
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000547842	0	38	-2.0	-105.41	346.63	1.64	-103.77
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000547843	0	40	-2.0	-108.46	373.88	3.30	-105.16
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000547844	0	38	-2.0	-113.64	350.57	1.91	-111.73
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000547845	0	37	-2.0	-126.30	354.35	2.97	-123.33
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000547846	0	35	-2.0	-123.53	334.29	1.13	-122.40
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000547847	0	38	-2.0	-109.57	351.79	1.67	-107.90
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000547848	0	41	-2.0	-126.23	371.67	3.23	-123.00
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000547849	0	34	-2.0	-115.56	326.84	-0.77	-116.33
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000547850	0	39	-2.0	-109.24	358.82	0.92	-108.32
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000547851	0	32	-2.0	-104.88	330.72	0.10	-104.78
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000547852	0	42	-2.0	-110.66	376.75	2.99	-107.67
CNC(=O)C1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000547853	0	42	-2.0	-116.55	374.71	2.97	-113.58
CCC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)NC)C=C(C(=O)[O-])O1	REAL300000547854	0	38	-2.0	-109.37	352.76	1.10	-108.27
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C(=O)N2CCOCC2)=N1	REAL300000547855	0	43	-2.0	-105.79	377.77	2.95	-102.84
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C(=O)N2CCOCC2)=N1	REAL300000547856	0	43	-2.0	-118.50	378.09	2.96	-115.54
CN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C(=O)N2CCOCC2)=N1	REAL300000547857	0	44	-2.0	-117.07	384.43	2.29	-114.78
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C(=O)N2CCOCC2)C=C(C(=O)[O-])O1	REAL300000547858	0	43	-2.0	-110.56	381.09	2.10	-108.46
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C(=O)N2CCOCC2)=N1	REAL300000547859	0	42	-2.0	-115.99	374.30	1.09	-114.90
COC(=O)C1(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)CCC1	REAL300000547861	1	44	-2.0	-107.44	386.20	8.13	-99.31
COC(=O)C1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)CCC1	REAL300000547862	0	41	-2.0	-101.80	379.36	7.13	-94.67
COC(=O)C1(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)CCC1	REAL300000547863	1	45	-2.0	-110.98	392.83	7.46	-103.52
COC(=O)C1(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)CCC1	REAL300000547864	0	41	-2.0	-103.20	377.85	7.16	-96.04
COC(=O)C1(C2=CC=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)CCC1	REAL300000547865	0	44	-2.0	-101.50	389.19	7.26	-94.24
COC(=O)C1(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)CCC1	REAL300000547866	0	41	-2.0	-96.99	378.44	7.25	-89.74
COC(=O)C1(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)CCC1	REAL300000547867	0	43	-2.0	-105.26	382.40	6.24	-99.02
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000547868	0	35	-2.0	-122.64	352.18	6.12	-116.52
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000547869	0	35	-2.0	-111.90	347.62	6.10	-105.80
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000547870	0	35	-2.0	-123.75	347.65	6.09	-117.66
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000547871	0	39	-2.0	-110.79	379.10	7.38	-103.41
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(C)(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000547872	0	38	-2.0	-126.50	363.66	6.62	-119.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(C)(F)F)C=C2C#N)=C1C	REAL300000547873	0	41	-2.0	-125.90	380.30	7.45	-118.45
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000547874	0	35	-2.0	-120.81	353.10	6.15	-114.66
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000547875	0	41	-2.0	-110.56	391.21	7.68	-102.88
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000547876	0	32	-2.0	-118.21	340.82	5.11	-113.10
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(C)(F)F)C=C1C#N	REAL300000547877	0	38	-2.0	-123.72	363.05	6.88	-116.84
CN1C=C(S(=O)(=O)[N-]C2=NN(CC(C)(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000547878	0	36	-2.0	-122.41	354.29	5.43	-116.98
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CC(C)(F)F)C=C2C#N)=C1	REAL300000547879	0	35	-2.0	-115.21	356.75	5.77	-109.44
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CC(C)(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000547880	0	41	-2.0	-125.03	379.09	7.41	-117.62
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000547881	0	32	-2.0	-120.74	339.30	5.11	-115.63
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(C)(F)F)C=C1C#N	REAL300000547882	0	41	-2.0	-121.87	377.77	7.81	-114.06
CC1=C(S(=O)(=O)[N-]C2=NN(CC(C)(F)F)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000547883	0	35	-2.0	-117.40	350.66	5.23	-112.17
CC1=C(S(=O)(=O)[N-]C2=NN(CC(C)(F)F)C=C2C#N)C=C(C(=O)[O-])S1	REAL300000547884	0	35	-2.0	-120.23	357.31	5.97	-114.26
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000547885	0	35	-2.0	-111.18	352.17	6.13	-105.05
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000547886	0	32	-2.0	-113.88	339.91	5.22	-108.66
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000547887	0	35	-2.0	-115.97	354.04	6.16	-109.81
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000547888	0	35	-2.0	-111.62	353.10	6.16	-105.46
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000547889	0	35	-3.0	-223.08	353.77	4.70	-218.38
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000547889	1	36	-2.0	-122.58	357.37	3.82	-118.76
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000547890	0	38	-2.0	-117.02	369.81	6.87	-110.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CC(C)(F)F)C=C1C#N	REAL300000547891	0	38	-2.0	-121.92	357.72	6.72	-115.20
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(C)(F)F)C=C1C#N	REAL300000547892	0	38	-2.0	-111.76	363.05	6.86	-104.90
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(C)(F)F)C=C2C#N)=CC(C(=O)[O-])=C1C	REAL300000547893	0	41	-2.0	-129.93	384.45	7.26	-122.67
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(C)(F)F)C=C2C#N)C(C)=C1C(=O)[O-]	REAL300000547894	0	41	-2.0	-126.25	382.14	7.47	-118.78
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(C)(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000547895	0	41	-2.0	-127.25	381.94	7.28	-119.97
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC(C)(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000547896	0	39	-2.0	-124.84	375.66	6.31	-118.53
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(C)(F)F)C=C2C#N)=CC=C1C(=O)[O-]	REAL300000547897	0	38	-2.0	-111.97	363.64	6.63	-105.34
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000547898	0	35	-2.0	-130.14	351.30	6.12	-124.02
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000547899	0	34	-2.0	-120.62	344.62	4.15	-116.47
CC(F)(F)CN1C=C(C#N)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000547900	0	32	-2.0	-111.78	347.78	5.06	-106.72
CCC1=C(S(=O)(=O)[N-]C2=NN(CC(C)(F)F)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000547901	0	38	-2.0	-117.05	369.75	6.09	-110.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=CC=C1F	REAL300000547902	0	31	-2.0	-104.61	308.29	2.52	-102.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1	REAL300000547903	0	31	-2.0	-94.88	303.73	2.49	-92.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547904	0	31	-2.0	-106.95	303.76	2.49	-104.46
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(F)F	REAL300000547905	0	35	-2.0	-111.80	331.90	2.29	-109.51
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1	REAL300000547906	0	35	-2.0	-94.66	335.20	3.78	-90.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1C(=O)[O-]	REAL300000547907	0	34	-2.0	-108.03	319.77	3.02	-105.01
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547908	0	31	-2.0	-102.24	316.83	3.06	-99.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=CC=C1Cl	REAL300000547909	0	31	-2.0	-102.92	316.26	2.88	-100.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1C	REAL300000547910	0	37	-2.0	-109.21	336.15	3.80	-105.41
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547911	0	31	-2.0	-103.88	309.22	2.55	-101.33
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1	REAL300000547912	0	37	-2.0	-93.82	347.32	4.08	-89.74
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547913	0	28	-2.0	-101.46	296.95	1.52	-99.94
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(F)F	REAL300000547914	0	34	-2.0	-107.41	319.19	3.27	-104.14
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1	REAL300000547915	0	35	-2.0	-93.33	334.82	2.77	-90.56
CN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1C(=O)[O-]	REAL300000547916	0	32	-2.0	-105.34	310.41	1.83	-103.51
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(F)F	REAL300000547917	0	35	-2.0	-107.79	327.96	1.31	-106.48
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547918	0	31	-2.0	-97.58	312.87	2.17	-95.41
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1C(=O)[O-]	REAL300000547919	0	37	-2.0	-109.91	339.20	3.91	-106.00
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=CS1	REAL300000547920	0	28	-2.0	-102.94	295.41	1.53	-101.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1C(=O)[O-]	REAL300000547921	0	35	-2.0	-112.85	331.03	2.55	-110.30
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547922	0	41	-2.0	-111.10	358.99	5.13	-105.97
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(F)F	REAL300000547923	0	40	-2.0	-109.37	357.65	4.50	-104.87
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(F)F	REAL300000547924	0	37	-2.0	-105.60	333.88	4.22	-101.38
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(F)F	REAL300000547925	0	38	-2.0	-112.54	354.19	3.05	-109.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300000547926	0	33	-3.0	-181.08	332.16	3.05	-178.03
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547927	0	38	-2.0	-111.45	348.00	4.38	-107.07
CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000547928	0	31	-2.0	-100.82	306.76	1.63	-99.19
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547929	0	35	-2.0	-108.12	332.67	1.60	-106.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C(Cl)C=C1F	REAL300000547930	0	31	-2.0	-99.21	321.35	3.08	-96.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=CC=C1OCC(=O)[O-]	REAL300000547931	0	38	-2.0	-93.78	354.92	3.48	-90.30
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(F)F	REAL300000547932	0	34	-2.0	-98.56	324.04	3.33	-95.23
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1F	REAL300000547933	0	35	-2.0	-92.96	341.05	2.83	-90.13
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1C(=O)[O-]	REAL300000547934	0	38	-2.0	-113.46	352.89	3.46	-110.00
CC1=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300000547935	0	31	-2.0	-104.03	312.38	2.38	-101.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C(Cl)=C1	REAL300000547936	0	31	-2.0	-92.39	316.81	3.05	-89.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1F	REAL300000547937	0	31	-2.0	-94.52	308.27	2.53	-91.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)S1	REAL300000547938	0	28	-2.0	-96.56	296.01	1.62	-94.94
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547939	0	31	-2.0	-98.04	310.16	2.55	-95.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1F	REAL300000547940	0	34	-2.0	-105.22	329.51	3.19	-102.03
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C(F)=C1	REAL300000547941	0	31	-2.0	-94.23	309.22	2.56	-91.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1Cl	REAL300000547942	0	31	-2.0	-92.51	316.24	2.89	-89.62
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(F)F	REAL300000547943	0	34	-2.0	-100.18	332.78	3.71	-96.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=CC(F)=C1F	REAL300000547944	0	31	-2.0	-96.46	314.57	2.58	-93.88
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547945	0	33	-2.0	-92.43	331.94	3.16	-89.27
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547946	0	31	-3.0	-200.56	309.90	1.09	-199.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547946	1	32	-2.0	-106.16	313.47	0.22	-105.94
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1	REAL300000547947	0	34	-2.0	-98.18	325.92	3.27	-94.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=CC(Cl)=C1F	REAL300000547948	0	31	-2.0	-97.82	324.46	3.02	-94.80
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(F)F	REAL300000547949	0	34	-2.0	-103.30	313.79	3.12	-100.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=CC(C(=O)[O-])=C1F	REAL300000547950	0	34	-2.0	-105.91	328.59	3.14	-102.77
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(F)F	REAL300000547951	0	34	-2.0	-94.96	319.17	3.26	-91.70
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=CC(C(=O)[O-])=C1C	REAL300000547952	0	37	-2.0	-109.87	336.66	3.55	-106.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=CC=C1[N+](=O)[O-]	REAL300000547953	0	33	-2.0	-105.66	330.32	3.58	-102.08
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547954	0	31	-2.0	-95.82	315.49	2.61	-93.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C(C)=C1C(=O)[O-]	REAL300000547955	0	37	-2.0	-107.34	338.23	3.88	-103.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1C(=O)[O-]	REAL300000547956	0	34	-2.0	-106.12	329.07	3.18	-102.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1Cl	REAL300000547957	0	34	-2.0	-103.97	335.52	3.62	-100.35
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547958	0	34	-2.0	-111.85	328.77	3.18	-108.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1C(=O)[O-]	REAL300000547959	0	37	-2.0	-108.68	338.08	3.67	-105.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1CC(=O)[O-]	REAL300000547960	0	38	-2.0	-109.42	354.22	2.62	-106.80
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(F)F	REAL300000547961	0	34	-2.0	-96.65	330.02	3.67	-92.98
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=CC(C(=O)[O-])=C1Cl	REAL300000547962	0	34	-2.0	-104.65	334.98	3.45	-101.20
CCN1C=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1C(=O)[O-]	REAL300000547963	0	35	-2.0	-106.59	331.78	2.71	-103.88
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1C(=O)[O-]	REAL300000547964	0	34	-2.0	-100.33	333.62	3.45	-96.88
CC1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000547965	0	34	-2.0	-94.90	319.76	3.03	-91.87
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(F)F	REAL300000547966	0	34	-2.0	-105.36	323.29	3.33	-102.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1[N+](=O)[O-]	REAL300000547967	0	33	-2.0	-114.16	327.48	4.35	-109.81
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1F	REAL300000547968	0	31	-2.0	-111.16	307.39	2.51	-108.65
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C1C(=O)[O-]	REAL300000547969	0	34	-2.0	-98.74	324.92	3.06	-95.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=CC2=CC=CC=C21	REAL300000547970	0	37	-2.0	-115.01	344.79	4.61	-110.40
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C1	REAL300000547971	0	30	-2.0	-104.63	299.96	0.61	-104.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CN=C1OC(F)F	REAL300000547972	0	35	-2.0	-98.79	331.95	2.29	-96.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)=C(Cl)O1	REAL300000547973	0	28	-2.0	-94.97	303.86	1.46	-93.51
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CN=C3OC(F)F)C=C2)CC1	REAL300000547974	0	38	-2.0	-101.23	349.88	4.38	-96.85
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CN=C3OC(F)F)C=C2C1	REAL300000547975	0	38	-2.0	-104.04	347.84	4.36	-99.68
CCC1=C(S(=O)(=O)[N-]C2=CC=CN=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300000547976	0	34	-2.0	-100.48	325.89	2.48	-98.00
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C21	REAL300000547977	1	40	-2.0	-108.50	340.28	6.04	-102.46
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C21	REAL300000547978	1	40	-2.0	-97.84	335.75	6.02	-91.82
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C21	REAL300000547979	1	40	-2.0	-110.39	335.76	6.00	-104.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCC2	REAL300000547980	0	44	-2.0	-116.47	363.90	5.80	-110.67
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C21	REAL300000547981	1	44	-2.0	-97.01	367.23	7.31	-89.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)C=C1C(=O)[O-]	REAL300000547982	1	43	-2.0	-111.59	351.83	6.55	-105.04
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C21	REAL300000547983	0	40	-2.0	-106.37	348.84	6.58	-99.79
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C21	REAL300000547984	1	40	-2.0	-106.99	348.25	6.41	-100.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)=C1C	REAL300000547985	1	46	-2.0	-115.33	368.46	7.18	-108.15
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C21	REAL300000547986	0	40	-2.0	-108.58	341.24	6.06	-102.52
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C21	REAL300000547987	1	46	-2.0	-96.52	379.33	7.60	-88.92
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C21	REAL300000547988	0	37	-2.0	-104.73	328.95	5.02	-99.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCC2	REAL300000547989	1	43	-2.0	-112.95	351.47	6.62	-106.33
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C21	REAL300000547990	1	44	-2.0	-95.80	366.84	6.30	-89.50
CN1C=C(S(=O)(=O)[N-]C2=C3C(=CC=C2)CCCN3C)C=C1C(=O)[O-]	REAL300000547991	0	41	-2.0	-109.36	342.41	5.36	-104.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)=C1	REAL300000547993	0	40	-2.0	-101.65	346.86	5.57	-96.08
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)C=C1C(=O)[O-]	REAL300000547994	1	46	-2.0	-112.88	367.21	7.32	-105.56
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C21	REAL300000547995	0	37	-2.0	-107.55	329.40	4.92	-102.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)C=C1C(=O)[O-]	REAL300000547996	1	44	-2.0	-117.16	363.02	6.08	-111.08
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCC2	REAL300000547997	1	49	-2.0	-113.54	387.67	7.94	-105.60
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCC2	REAL300000547998	1	46	-2.0	-107.65	362.71	7.62	-100.03
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCC2	REAL300000547999	0	47	-2.0	-116.23	386.19	6.57	-109.66
CN1CCCC2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=C21	REAL300000548000	0	43	-2.0	-108.61	365.92	6.52	-102.09
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=C21	REAL300000548000	1	42	-3.0	-187.79	364.21	6.57	-181.22
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C21	REAL300000548001	1	47	-2.0	-117.00	377.59	7.80	-109.20
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)C=C(C(=O)[O-])O1	REAL300000548002	0	40	-2.0	-104.42	338.77	5.15	-99.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)=C1	REAL300000548003	0	44	-2.0	-111.48	366.67	4.98	-106.50
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=C21	REAL300000548004	0	40	-2.0	-102.81	353.37	6.58	-96.23
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)=CC=C1OCC(=O)[O-]	REAL300000548005	1	47	-2.0	-96.26	386.90	7.00	-89.26
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCC2	REAL300000548006	1	43	-2.0	-103.19	356.74	6.66	-96.53
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=C21	REAL300000548007	1	44	-2.0	-95.54	375.03	6.23	-89.31
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)C=C1C(=O)[O-]	REAL300000548008	1	47	-2.0	-116.83	384.87	6.99	-109.84
CC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)C=C(C(=O)[O-])S1	REAL300000548009	0	40	-2.0	-109.06	345.17	5.69	-103.37
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C21	REAL300000548010	0	40	-2.0	-95.02	348.85	6.58	-88.44
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C21	REAL300000548011	1	40	-2.0	-97.31	340.27	6.05	-91.26
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C21	REAL300000548012	0	37	-2.0	-99.64	328.03	5.13	-94.51
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C21	REAL300000548013	1	40	-2.0	-102.01	342.15	6.08	-95.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)=C1F	REAL300000548014	0	43	-2.0	-110.12	361.52	6.70	-103.42
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C21	REAL300000548015	0	40	-2.0	-97.21	341.26	6.08	-91.13
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C21	REAL300000548016	1	40	-2.0	-95.40	348.24	6.42	-88.98
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCC2	REAL300000548017	1	43	-2.0	-104.97	365.47	7.04	-97.93
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C21	REAL300000548018	1	40	-2.0	-99.15	346.57	6.11	-93.04
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=C21	REAL300000548019	0	42	-2.0	-95.87	363.94	6.68	-89.19
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C21	REAL300000548020	0	41	-2.0	-110.75	345.48	3.71	-107.04
CN1CCCC2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C21	REAL300000548020	1	41	-2.0	-109.64	336.00	4.57	-105.07
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C21	REAL300000548021	1	43	-2.0	-101.77	357.94	6.80	-94.97
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=C21	REAL300000548022	1	40	-2.0	-100.58	356.45	6.54	-94.04
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCC2	REAL300000548023	1	43	-2.0	-105.48	344.50	6.59	-98.89
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)=CC(C(=O)[O-])=C1F	REAL300000548024	1	43	-2.0	-108.95	360.61	6.65	-102.30
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCC2	REAL300000548025	1	43	-2.0	-97.89	348.95	6.68	-91.21
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)=CC(C(=O)[O-])=C1C	REAL300000548026	1	46	-2.0	-114.66	368.67	7.08	-107.58
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=C21	REAL300000548027	0	42	-2.0	-109.01	362.32	7.11	-101.90
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C21	REAL300000548028	0	40	-2.0	-100.33	347.53	6.13	-94.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)C(C)=C1C(=O)[O-]	REAL300000548029	1	46	-2.0	-110.52	369.88	7.39	-103.13
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)C=C1C(=O)[O-]	REAL300000548030	0	43	-2.0	-109.88	357.25	6.60	-103.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)=C1Cl	REAL300000548031	0	43	-2.0	-108.16	367.52	7.15	-101.01
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)=C1	REAL300000548032	0	43	-2.0	-115.90	362.78	6.57	-109.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)C=C1C(=O)[O-]	REAL300000548033	1	46	-2.0	-113.31	369.96	7.20	-106.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)C=C1CC(=O)[O-]	REAL300000548034	1	47	-2.0	-111.88	386.20	6.14	-105.74
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCC2	REAL300000548035	1	43	-2.0	-100.09	362.64	7.03	-93.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)=CC(C(=O)[O-])=C1Cl	REAL300000548036	1	43	-2.0	-107.87	367.00	6.96	-100.91
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)C=C1C(=O)[O-]	REAL300000548037	0	44	-2.0	-109.94	363.76	6.24	-103.70
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)C=C1C(=O)[O-]	REAL300000548038	1	43	-2.0	-103.87	365.60	6.97	-96.90
CC1=CC(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)=CC=C1C(=O)[O-]	REAL300000548039	1	43	-2.0	-97.94	351.81	6.56	-91.38
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCC2	REAL300000548040	1	43	-2.0	-110.34	355.33	6.66	-103.68
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=C21	REAL300000548041	0	42	-2.0	-116.26	352.13	7.55	-108.71
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C21	REAL300000548042	0	40	-2.0	-115.90	341.38	5.91	-109.99
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)C=C1C(=O)[O-]	REAL300000548043	1	43	-2.0	-102.22	356.91	6.58	-95.64
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=C21	REAL300000548044	1	46	-2.0	-118.51	376.79	8.12	-110.39
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C21	REAL300000548045	0	39	-2.0	-108.96	332.76	4.06	-104.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=C1N(C)CCC2	REAL300000548046	0	44	-2.0	-101.93	364.00	5.79	-96.14
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C21	REAL300000548047	0	37	-2.0	-98.35	335.87	4.97	-93.38
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C21	REAL300000548048	1	47	-2.0	-104.88	381.89	7.90	-96.98
CN1CCCC2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C21	REAL300000548049	1	47	-2.0	-106.14	379.89	7.88	-98.26
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=C2N(C)CCC3)C=C(C(=O)[O-])O1	REAL300000548050	0	43	-2.0	-103.86	355.93	5.83	-98.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=CC=C1F	REAL300000548051	1	32	-2.0	-99.06	319.94	3.18	-95.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1	REAL300000548052	1	32	-2.0	-89.94	315.73	3.17	-86.77
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000548053	1	32	-2.0	-101.31	315.41	3.15	-98.16
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000548054	0	36	-2.0	-107.43	343.55	2.95	-104.48
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1	REAL300000548055	1	36	-2.0	-89.79	347.20	4.46	-85.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000548056	1	35	-2.0	-103.41	331.76	3.70	-99.71
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000548057	0	32	-2.0	-97.84	328.48	3.73	-94.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=CC=C1Cl	REAL300000548058	1	32	-2.0	-97.40	327.91	3.55	-93.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C1C	REAL300000548059	1	38	-2.0	-105.37	348.08	4.50	-100.87
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000548060	0	32	-2.0	-99.26	320.88	3.22	-96.04
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1	REAL300000548061	1	38	-2.0	-89.14	359.32	4.75	-84.39
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000548062	0	29	-2.0	-96.70	308.59	2.17	-94.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000548063	1	35	-2.0	-103.23	330.84	3.94	-99.29
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1	REAL300000548064	1	36	-2.0	-88.48	346.82	3.45	-85.03
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000548065	0	33	-2.0	-99.99	322.39	2.51	-97.48
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000548066	1	36	-2.0	-103.98	339.19	1.99	-101.99
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000548067	0	32	-2.0	-92.42	324.51	2.84	-89.58
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000548068	1	38	-2.0	-104.43	346.86	4.48	-99.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=CS1	REAL300000548069	0	29	-2.0	-97.41	307.39	2.20	-95.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000548070	1	36	-2.0	-107.20	343.03	3.23	-103.97
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000548071	1	38	-2.0	-101.80	345.54	4.87	-96.93
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000548072	0	32	-2.0	-96.47	318.41	2.30	-94.17
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000548073	0	36	-2.0	-102.58	344.39	2.24	-100.34
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000548074	1	35	-2.0	-94.05	336.11	3.97	-90.08
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000548075	0	32	-2.0	-99.73	325.10	3.04	-96.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C(Cl)=C1	REAL300000548076	0	32	-2.0	-87.61	328.46	3.71	-83.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1F	REAL300000548077	1	32	-2.0	-89.49	320.26	3.20	-86.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)S1	REAL300000548078	0	29	-2.0	-91.27	307.68	2.27	-89.00
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000548079	1	32	-2.0	-92.58	322.14	3.23	-89.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C1F	REAL300000548080	0	35	-2.0	-100.55	341.18	3.86	-96.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C(F)=C1	REAL300000548081	0	32	-2.0	-89.11	320.86	3.23	-85.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1Cl	REAL300000548082	1	32	-2.0	-87.52	328.24	3.56	-83.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=CC(F)=C1F	REAL300000548083	1	32	-2.0	-91.76	326.57	3.25	-88.51
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000548084	0	33	-2.0	-102.03	325.12	0.87	-101.16
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000548084	1	33	-2.0	-104.28	324.33	1.66	-102.62
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1	REAL300000548085	1	35	-2.0	-94.10	337.92	3.95	-90.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000548086	1	35	-2.0	-97.84	325.44	3.80	-94.04
CC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000548087	1	35	-2.0	-100.36	340.59	3.81	-96.55
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000548088	1	35	-2.0	-90.28	330.82	3.93	-86.35
CC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000548089	1	38	-2.0	-105.55	353.24	4.36	-101.19
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000548090	0	32	-2.0	-90.99	327.16	3.28	-87.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C(C)=C1C(=O)[O-]	REAL300000548091	1	38	-2.0	-102.09	349.88	4.55	-97.54
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000548092	0	35	-2.0	-101.46	340.72	3.85	-97.61
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000548093	0	35	-2.0	-106.03	340.44	3.85	-102.18
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000548094	1	38	-2.0	-104.04	349.71	4.35	-99.69
CCN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000548095	0	36	-2.0	-101.26	343.76	3.37	-97.89
CC1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000548096	1	35	-2.0	-89.93	331.75	3.71	-86.22
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000548097	1	35	-2.0	-101.23	334.94	4.00	-97.23
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C1F	REAL300000548098	0	32	-2.0	-105.39	319.07	3.19	-102.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000548099	1	35	-2.0	-94.95	340.34	3.83	-91.12
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C1	REAL300000548100	0	31	-2.0	-99.71	311.63	1.29	-98.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(F)(F)F)=C1	REAL300000548101	0	36	-2.0	-93.96	343.61	2.95	-91.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)=C(Cl)O1	REAL300000548102	0	29	-2.0	-90.31	315.55	2.13	-88.18
CCC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000548103	0	35	-2.0	-96.41	337.54	3.15	-93.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=CC=C1F	REAL300000548104	0	36	-2.0	-111.50	343.95	1.50	-110.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1	REAL300000548105	0	36	-2.0	-101.72	339.40	1.48	-100.24
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548106	0	36	-2.0	-113.86	339.41	1.47	-112.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NC1CC1	REAL300000548107	0	40	-2.0	-117.42	367.55	1.29	-116.13
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1	REAL300000548108	0	40	-2.0	-100.43	370.86	2.77	-97.66
CC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000548109	0	39	-2.0	-115.15	355.44	2.01	-113.14
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548110	0	36	-2.0	-107.97	352.48	2.04	-105.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=CC=C1Cl	REAL300000548111	0	36	-2.0	-109.84	351.92	1.86	-107.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1C	REAL300000548112	0	42	-2.0	-114.62	372.52	2.80	-111.82
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548113	0	36	-2.0	-109.74	344.89	1.53	-108.21
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1	REAL300000548114	0	42	-2.0	-99.36	382.98	3.06	-96.30
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548115	0	33	-2.0	-108.33	332.60	0.51	-107.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NC1CC1	REAL300000548116	0	39	-2.0	-112.67	354.85	2.25	-110.42
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1	REAL300000548117	0	40	-2.0	-99.27	370.48	1.76	-97.51
CN1C=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000548118	0	37	-2.0	-112.65	346.06	0.83	-111.82
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NC1CC1	REAL300000548119	0	40	-2.0	-112.72	363.61	0.28	-112.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548120	0	36	-2.0	-104.68	348.52	1.17	-103.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000548121	0	42	-2.0	-113.86	370.86	2.79	-111.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=CS1	REAL300000548122	0	33	-2.0	-109.78	331.06	0.52	-109.26
COC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000548123	0	40	-2.0	-119.86	366.69	1.54	-118.32
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NC1CC1	REAL300000548124	0	45	-2.0	-114.43	393.31	3.49	-110.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NC1CC1	REAL300000548125	0	42	-2.0	-109.59	367.84	3.18	-106.41
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NC1CC1	REAL300000548126	0	43	-2.0	-119.65	389.84	2.05	-117.60
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548127	0	38	-3.0	-191.30	367.82	2.04	-189.26
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548128	0	43	-2.0	-117.08	383.65	3.38	-113.70
CC1=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C(C(=O)[O-])O1	REAL300000548129	0	36	-2.0	-106.77	342.42	0.62	-106.15
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548130	0	40	-2.0	-117.41	368.33	0.58	-116.83
CC1=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=CC=C1OCC(=O)[O-]	REAL300000548131	0	43	-2.0	-99.81	390.57	2.46	-97.35
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NC1CC1	REAL300000548132	0	39	-2.0	-103.93	360.12	2.29	-101.64
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1F	REAL300000548133	0	40	-2.0	-98.86	376.71	1.82	-97.04
CCOC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000548134	0	43	-2.0	-120.52	388.55	2.45	-118.07
CC1=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C(C(=O)[O-])S1	REAL300000548135	0	36	-2.0	-109.37	348.04	1.37	-108.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C(Cl)=C1	REAL300000548136	0	36	-2.0	-99.25	352.46	2.03	-97.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1F	REAL300000548137	0	36	-2.0	-101.32	343.95	1.51	-99.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)S1	REAL300000548138	0	33	-2.0	-103.35	331.67	0.61	-102.74
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548139	0	36	-2.0	-104.96	345.83	1.54	-103.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1F	REAL300000548140	0	39	-2.0	-111.29	365.16	2.17	-109.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C(F)=C1	REAL300000548141	0	36	-2.0	-101.42	344.88	1.54	-99.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1Cl	REAL300000548142	0	36	-2.0	-99.33	351.92	1.87	-97.46
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NC1CC1	REAL300000548143	0	39	-2.0	-105.49	368.85	2.67	-102.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=CC(F)=C1F	REAL300000548144	0	36	-2.0	-103.33	350.23	1.56	-101.77
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548145	0	38	-2.0	-99.20	367.60	2.14	-97.06
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548146	0	36	-3.0	-211.70	345.56	0.09	-211.61
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548146	1	37	-2.0	-110.51	349.13	-0.80	-111.31
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1	REAL300000548147	0	39	-2.0	-103.79	361.59	2.26	-101.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NC1CC1	REAL300000548148	0	39	-2.0	-111.74	349.45	2.11	-109.63
CC1=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=CC(C(=O)[O-])=C1F	REAL300000548149	0	39	-2.0	-113.00	364.24	2.12	-110.88
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NC1CC1	REAL300000548150	0	39	-2.0	-101.53	354.82	2.24	-99.29
CC1=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=CC(C(=O)[O-])=C1C	REAL300000548151	0	42	-2.0	-117.15	372.29	2.54	-114.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=CC=C1[N+](=O)[O-]	REAL300000548152	0	38	-2.0	-112.58	365.97	2.57	-110.01
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548153	0	36	-2.0	-102.08	351.15	1.60	-100.48
CC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C(C)=C1C(=O)[O-]	REAL300000548154	0	42	-2.0	-116.13	373.89	2.86	-113.27
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000548155	0	39	-2.0	-110.95	360.89	2.07	-108.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1Cl	REAL300000548156	0	39	-2.0	-109.87	371.19	2.62	-107.25
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548157	0	39	-2.0	-120.78	364.44	2.16	-118.62
CCC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000548158	0	42	-2.0	-115.84	373.73	2.66	-113.18
COC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1CC(=O)[O-]	REAL300000548159	0	43	-2.0	-118.39	389.87	1.60	-116.79
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NC1CC1	REAL300000548160	0	39	-2.0	-104.71	365.67	2.66	-102.05
CC1=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=CC(C(=O)[O-])=C1Cl	REAL300000548161	0	39	-2.0	-111.75	370.63	2.43	-109.32
CCN1C=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000548162	0	40	-2.0	-113.96	367.43	1.69	-112.27
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000548163	0	39	-2.0	-107.46	369.28	2.44	-105.02
CC1=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=CC=C1C(=O)[O-]	REAL300000548164	0	39	-2.0	-101.92	355.42	2.02	-99.90
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NC1CC1	REAL300000548165	0	39	-2.0	-110.12	359.36	2.29	-107.83
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1[N+](=O)[O-]	REAL300000548166	0	38	-2.0	-122.51	363.14	3.34	-119.17
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1F	REAL300000548167	0	36	-2.0	-119.82	343.05	1.50	-118.32
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C1C(=O)[O-]	REAL300000548168	0	39	-2.0	-105.82	360.58	2.04	-103.78
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C1	REAL300000548169	0	35	-2.0	-111.81	335.62	-0.40	-112.21
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NC1CC1	REAL300000548170	0	40	-2.0	-105.62	367.62	1.29	-104.33
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)=C(Cl)O1	REAL300000548171	0	33	-2.0	-101.41	339.51	0.47	-100.94
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CNN=C3C(=O)NC3CC3)C=C2)CC1	REAL300000548172	0	43	-2.0	-107.14	385.54	3.36	-103.78
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CNN=C3C(=O)NC3CC3)C=C2C1	REAL300000548173	0	43	-2.0	-112.86	383.50	3.34	-109.52
CCC1=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NC2CC2)C=C(C(=O)[O-])O1	REAL300000548174	0	39	-2.0	-105.79	361.53	1.47	-104.32
COC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000548175	1	35	-2.0	-98.23	338.75	5.35	-92.88
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC(C(F)(F)F)=C1	REAL300000548176	1	35	-2.0	-88.61	334.20	5.33	-83.28
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000548177	1	35	-2.0	-100.46	334.21	5.32	-95.14
COC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000548178	1	38	-2.0	-101.53	350.23	5.86	-95.67
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(C(F)(F)F)=C1	REAL300000548179	0	35	-2.0	-97.38	339.36	5.37	-92.01
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(C(F)(F)F)=C1	REAL300000548180	0	32	-2.0	-94.88	327.06	4.33	-90.55
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(C(F)(F)F)=C1	REAL300000548181	1	38	-2.0	-101.14	349.31	6.10	-95.04
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000548182	0	36	-2.0	-98.99	340.86	4.67	-94.32
COC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC(C(F)(F)F)=C1	REAL300000548183	0	35	-2.0	-91.27	342.99	5.00	-86.27
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000548184	0	32	-2.0	-96.37	325.86	4.37	-92.00
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000548185	0	35	-2.0	-94.67	336.89	4.46	-90.21
COC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000548186	0	35	-2.0	-97.87	342.48	5.21	-92.66
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(C(F)(F)F)=C1	REAL300000548187	1	35	-2.0	-88.26	338.74	5.36	-82.90
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(C(F)(F)F)=C1	REAL300000548188	0	32	-2.0	-90.11	326.14	4.44	-85.67
COC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000548189	0	35	-2.0	-91.61	340.62	5.39	-86.22
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(C(F)(F)F)=C1	REAL300000548190	0	35	-2.0	-87.98	339.33	5.39	-82.59
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(C(F)(F)F)=C1	REAL300000548191	0	36	-2.0	-99.96	343.60	3.02	-96.94
COC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(C(F)(F)F)=C1	REAL300000548191	1	36	-2.0	-103.99	342.78	3.80	-100.19
COC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC(C(F)(F)F)=C1	REAL300000548192	1	38	-2.0	-92.94	356.39	6.11	-86.83
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC(C(F)(F)F)=C1	REAL300000548193	1	38	-2.0	-97.04	343.92	5.96	-91.08
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC(C(F)(F)F)=C1	REAL300000548194	1	38	-2.0	-88.90	349.29	6.09	-82.81
CCN1C=C(S(=O)(=O)[N-]C2=CC(OC)=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000548195	0	39	-2.0	-100.18	362.23	5.54	-94.64
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC(C(F)(F)F)=C1	REAL300000548196	1	38	-2.0	-88.66	350.22	5.87	-82.79
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC(C(F)(F)F)=C1	REAL300000548197	0	35	-2.0	-104.76	337.54	5.35	-99.41
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(C(F)(F)F)=C1	REAL300000548198	0	34	-2.0	-98.00	330.10	3.45	-94.55
COC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300000548199	0	32	-2.0	-88.70	334.03	4.29	-84.41
CCC1=C(S(=O)(=O)[N-]C2=CC(OC)=CC(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000548200	0	38	-2.0	-94.60	356.01	5.31	-89.29
COC(=O)C1=C(Cl)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1F	REAL300000548203	0	31	-2.0	-97.30	336.83	5.26	-92.04
COC(=O)C1=C(Cl)C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1F	REAL300000548206	1	34	-2.0	-96.46	346.65	5.39	-91.07
COC(=O)C1=C(Cl)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1F	REAL300000548207	1	31	-2.0	-92.16	335.90	5.37	-86.79
COC(=O)C1=C(Cl)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1F	REAL300000548208	0	33	-2.0	-99.54	339.85	4.37	-95.17
CN(C1=CN(C)C2=CC=CC=C12)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000548233	0	41	-2.0	-112.04	376.37	8.77	-103.27
CN(C1=CN(C)C2=CC=CC=C12)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000548253	0	39	-2.0	-112.16	346.65	6.77	-105.39
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C2CCC2)=N1	REAL300000548284	0	45	-2.0	-89.48	397.85	3.98	-85.50
CN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548285	0	38	-2.0	-105.86	345.92	5.41	-100.45
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCC1	REAL300000548286	0	46	-2.0	-106.89	401.00	6.48	-100.41
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C2CCC2)=N1	REAL300000548287	0	38	-2.0	-95.94	341.37	5.40	-90.54
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548288	0	38	-2.0	-108.35	341.37	5.39	-102.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCC1	REAL300000548289	0	42	-2.0	-113.85	369.53	5.19	-108.66
CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C2CCC2)=N1	REAL300000548290	0	42	-2.0	-95.54	372.84	6.68	-88.86
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C=C1C(=O)[O-]	REAL300000548291	0	41	-2.0	-109.56	357.40	5.92	-103.64
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C2CCC2)=N1	REAL300000548292	0	38	-2.0	-103.94	354.45	5.96	-97.98
CN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548293	0	38	-2.0	-104.31	353.89	5.77	-98.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)=C1C	REAL300000548294	0	44	-2.0	-111.07	373.77	6.70	-104.37
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C2CCC2)=N1	REAL300000548295	0	38	-2.0	-105.56	346.86	5.45	-100.11
CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C2CCC2)=N1	REAL300000548296	0	44	-2.0	-94.72	384.95	6.96	-87.76
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C2CCC2)=N1	REAL300000548297	0	35	-2.0	-102.67	334.58	4.40	-98.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCC1	REAL300000548298	0	41	-2.0	-109.14	356.81	6.17	-102.97
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C2CCC2)=N1	REAL300000548299	0	42	-2.0	-94.22	372.46	5.66	-88.56
CN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548300	0	39	-2.0	-106.95	348.03	4.73	-102.22
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCC1	REAL300000548301	0	42	-2.0	-109.46	365.59	4.20	-105.26
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)=C1	REAL300000548302	0	38	-2.0	-98.71	350.49	5.07	-93.64
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C=C1C(=O)[O-]	REAL300000548303	0	44	-2.0	-110.45	372.84	6.71	-103.74
CN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548304	0	35	-2.0	-104.08	333.04	4.41	-99.67
COC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)=CC(C(=O)[O-])=C1OC	REAL300000548305	0	46	-2.0	-108.92	399.69	5.19	-103.73
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C=C1C(=O)[O-]	REAL300000548306	0	42	-2.0	-114.33	368.67	5.46	-108.87
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C(C2CCC2)=N1	REAL300000548307	0	48	-2.0	-113.15	396.63	8.02	-105.13
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCC1	REAL300000548308	0	47	-2.0	-111.30	395.28	7.39	-103.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCC1	REAL300000548309	0	44	-2.0	-107.28	371.50	7.12	-100.16
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCC1	REAL300000548310	0	45	-2.0	-114.41	391.81	5.96	-108.45
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548311	0	40	-3.0	-183.35	369.79	5.95	-177.40
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C2CCC2)=N1	REAL300000548312	0	45	-2.0	-113.46	385.62	7.28	-106.18
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C=C(C(=O)[O-])O1	REAL300000548313	0	38	-2.0	-102.30	344.40	4.52	-97.78
CN1C=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548314	0	44	-2.0	-113.29	383.54	5.16	-108.13
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)=C1	REAL300000548315	0	42	-2.0	-109.56	370.30	4.48	-105.08
CN1C=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C(C2CCC2)=N1	REAL300000548316	0	46	-2.0	-94.89	394.29	5.99	-88.90
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C(C2CCC2)=N1	REAL300000548317	0	38	-2.0	-100.70	358.98	5.98	-94.72
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C(C2CCC2)=N1	REAL300000548318	0	42	-2.0	-92.73	388.48	6.20	-86.53
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)=CC=C1OCC(=O)[O-]	REAL300000548319	0	45	-2.0	-94.74	392.53	6.38	-88.36
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCC1	REAL300000548320	0	41	-2.0	-99.78	362.09	6.21	-93.57
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C2CCC2)=N1	REAL300000548321	0	42	-2.0	-93.73	378.68	5.73	-88.00
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C=C1C(=O)[O-]	REAL300000548322	0	45	-2.0	-114.90	390.52	6.36	-108.54
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C=C(C(=O)[O-])S1	REAL300000548323	0	38	-2.0	-105.72	350.02	5.29	-100.43
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C2CCC2)=N1	REAL300000548324	0	38	-2.0	-93.53	354.44	5.95	-87.58
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C2CCC2)=N1	REAL300000548325	0	38	-2.0	-95.41	345.92	5.43	-89.98
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C2CCC2)=N1	REAL300000548326	0	35	-2.0	-97.51	333.65	4.52	-92.99
CN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548327	0	38	-2.0	-99.22	347.78	5.46	-93.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)=C1F	REAL300000548328	0	41	-2.0	-106.98	367.14	6.09	-100.89
COC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)=C(Cl)C=C1C(=O)[O-]	REAL300000548329	0	42	-2.0	-98.12	381.69	6.01	-92.11
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C2CCC2)=N1	REAL300000548330	0	38	-2.0	-95.28	346.83	5.46	-89.82
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C2CCC2)=N1	REAL300000548331	0	38	-2.0	-93.46	353.88	5.79	-87.67
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCC1	REAL300000548332	0	41	-2.0	-101.76	370.41	6.61	-95.15
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(C2CCC2)=N1	REAL300000548333	0	46	-2.0	-92.30	405.12	6.80	-85.50
CN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548334	0	38	-2.0	-97.48	352.21	5.48	-92.00
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548335	0	40	-2.0	-93.35	369.57	6.06	-87.29
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C2CCC2)=N1	REAL300000548336	0	39	-2.0	-107.95	351.09	3.11	-104.84
CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C2CCC2)=N1	REAL300000548337	0	41	-2.0	-99.42	363.56	6.15	-93.27
CN1C=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548338	0	38	-2.0	-99.01	362.09	5.92	-93.09
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCC1	REAL300000548339	0	41	-2.0	-104.44	351.43	6.02	-98.42
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)=CC(C(=O)[O-])=C1F	REAL300000548340	0	41	-2.0	-107.21	366.22	6.04	-101.17
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCC1	REAL300000548341	0	41	-2.0	-96.05	356.79	6.16	-89.89
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)=CC(C(=O)[O-])=C1C	REAL300000548342	0	44	-2.0	-111.50	374.26	6.46	-105.04
CN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548343	0	40	-2.0	-106.55	367.94	6.49	-100.06
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C2CCC2)=N1	REAL300000548344	0	38	-2.0	-97.22	353.13	5.51	-91.71
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C(C)=C1C(=O)[O-]	REAL300000548345	0	44	-2.0	-108.62	375.86	6.78	-101.84
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C=C1C(=O)[O-]	REAL300000548346	0	41	-2.0	-106.70	362.86	5.99	-100.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)=C1Cl	REAL300000548347	0	41	-2.0	-105.78	373.14	6.53	-99.25
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)=C1	REAL300000548348	0	41	-2.0	-113.13	366.42	6.08	-107.05
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C=C1C(=O)[O-]	REAL300000548349	0	44	-2.0	-110.25	375.70	6.58	-103.67
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C=C1CC(=O)[O-]	REAL300000548350	0	45	-2.0	-110.83	391.86	5.52	-105.31
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCC1	REAL300000548351	0	41	-2.0	-97.70	367.64	6.56	-91.14
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)=CC(C(=O)[O-])=C1Cl	REAL300000548352	0	41	-2.0	-106.00	372.61	6.35	-99.65
CCN1C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C=C1C(=O)[O-]	REAL300000548353	0	42	-2.0	-108.26	369.41	5.59	-102.67
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C(C)=C1CC(=O)[O-]	REAL300000548354	0	50	-2.0	-108.74	406.53	8.25	-100.49
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C=C1C(=O)[O-]	REAL300000548355	0	41	-2.0	-102.88	375.15	6.46	-96.42
CN1C=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548356	0	47	-2.0	-104.99	391.13	7.50	-97.49
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C=C1C(=O)[O-]	REAL300000548357	0	42	-2.0	-109.61	381.71	6.02	-103.59
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)=CC=C1C(=O)[O-]	REAL300000548358	0	41	-2.0	-96.07	357.39	5.93	-90.14
CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(C2CCC2)=N1	REAL300000548359	0	43	-2.0	-100.05	384.65	7.60	-92.45
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCC1	REAL300000548360	0	41	-2.0	-106.55	361.33	6.20	-100.35
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C2CCC2)=N1	REAL300000548361	0	40	-2.0	-115.21	365.12	7.25	-107.96
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C2CCC2)=N1	REAL300000548362	0	38	-2.0	-112.37	345.01	5.41	-106.96
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C=C1C(=O)[O-]	REAL300000548363	0	41	-2.0	-101.05	366.34	6.07	-94.98
CN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548364	0	44	-2.0	-116.55	382.42	7.51	-109.04
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C2CCC2)=N1	REAL300000548365	0	37	-2.0	-106.00	337.59	3.51	-102.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCC1	REAL300000548366	0	42	-2.0	-100.19	369.58	5.20	-94.99
CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000548367	0	35	-2.0	-96.25	341.50	4.36	-91.89
CN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C2CCC2)=N1	REAL300000548368	0	45	-2.0	-102.43	387.50	7.27	-95.16
CN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C2CCC2)=N1	REAL300000548369	0	45	-2.0	-105.22	385.47	7.25	-97.97
CCC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCC2)C=C(C(=O)[O-])O1	REAL300000548370	0	41	-2.0	-102.11	363.53	5.37	-96.74
CC(C)S(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000548371	1	40	-2.0	-97.20	365.46	4.05	-93.15
CC(C)S(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000548372	1	40	-2.0	-110.50	365.18	4.03	-106.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(S(=O)(=O)C(C)C)C=C2)C=C1C(=O)[O-]	REAL300000548373	1	43	-2.0	-110.93	385.55	4.69	-106.24
CC(C)S(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000548374	0	37	-2.0	-104.46	358.68	3.06	-101.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(S(=O)(=O)C(C)C)C=C1	REAL300000548375	1	43	-2.0	-111.66	380.61	4.81	-106.85
CC(C)S(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000548376	0	41	-2.0	-108.62	371.84	3.38	-105.24
CC(C)S(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000548377	0	37	-2.0	-104.49	356.83	3.06	-101.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(S(=O)(=O)C(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000548378	0	40	-2.0	-104.18	368.49	3.17	-101.01
CC(C)S(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000548379	0	37	-2.0	-98.50	357.45	3.16	-95.34
CC(C)S(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000548380	0	41	-2.0	-110.27	375.21	1.76	-108.51
CC(C)S(=O)(=O)C1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000548380	1	41	-2.0	-113.81	374.39	2.56	-111.25
CC(C)S(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300000548381	1	43	-2.0	-100.70	387.35	4.81	-95.89
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(S(=O)(=O)C(C)C)C=C1	REAL300000548382	1	43	-2.0	-105.96	379.00	4.77	-101.19
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(S(=O)(=O)C(C)C)C=C1	REAL300000548383	1	43	-2.0	-97.42	380.62	4.79	-92.63
CC1=CC(S(=O)(=O)[N-]C2=CC=C(S(=O)(=O)C(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000548384	1	43	-2.0	-97.27	381.49	4.58	-92.69
CC(C)S(=O)(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000548385	0	39	-2.0	-106.43	361.39	2.14	-104.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=CC=C1F	REAL300000548386	0	39	-2.0	-100.26	348.71	3.42	-96.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1	REAL300000548387	0	39	-2.0	-90.43	344.14	3.40	-87.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=C1	REAL300000548388	0	39	-2.0	-102.31	344.17	3.39	-98.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(N2CCOCC2)N=C1	REAL300000548389	0	43	-2.0	-107.75	372.31	3.19	-104.56
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1	REAL300000548390	0	43	-2.0	-90.46	375.61	4.69	-85.77
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000548391	0	42	-2.0	-103.29	360.20	3.93	-99.36
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=C1	REAL300000548392	0	39	-2.0	-98.50	357.23	3.96	-94.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=CC=C1Cl	REAL300000548393	0	39	-2.0	-98.41	356.69	3.78	-94.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=C1C	REAL300000548394	0	45	-2.0	-105.79	376.83	4.75	-101.04
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=C1	REAL300000548395	0	39	-2.0	-99.54	349.64	3.45	-96.09
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1	REAL300000548396	0	45	-2.0	-89.62	387.73	4.98	-84.64
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=C1	REAL300000548397	0	36	-2.0	-96.77	337.35	2.41	-94.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(N2CCOCC2)N=C1	REAL300000548398	0	42	-2.0	-103.97	359.60	4.18	-99.79
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1	REAL300000548399	0	43	-2.0	-89.17	375.23	3.68	-85.49
CN1C=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000548400	0	40	-2.0	-100.75	350.81	2.75	-98.00
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(N2CCOCC2)N=C1	REAL300000548401	0	43	-2.0	-104.48	368.37	2.21	-102.27
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=C1	REAL300000548402	0	39	-2.0	-93.02	353.27	3.08	-89.94
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000548403	0	45	-2.0	-105.24	375.22	4.74	-100.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=CS1	REAL300000548404	0	36	-2.0	-98.32	335.81	2.42	-95.90
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000548405	0	43	-2.0	-108.13	371.45	3.46	-104.67
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(N2CCOCC2)N=C1	REAL300000548406	0	45	-2.0	-102.79	374.33	5.12	-97.67
CC1=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000548407	0	39	-2.0	-97.01	347.17	2.54	-94.47
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=C1	REAL300000548408	0	43	-2.0	-102.93	373.06	2.49	-100.44
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(N2CCOCC2)N=C1	REAL300000548409	0	42	-2.0	-94.71	364.87	4.22	-90.49
CC1=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C(C(=O)[O-])S1	REAL300000548410	0	39	-2.0	-100.53	352.79	3.28	-97.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C(Cl)=C1	REAL300000548411	0	39	-2.0	-88.42	357.21	3.96	-84.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1F	REAL300000548412	0	39	-2.0	-90.47	348.69	3.43	-87.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)S1	REAL300000548413	0	36	-2.0	-91.97	336.42	2.52	-89.45
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=C1	REAL300000548414	0	39	-2.0	-93.27	350.57	3.46	-89.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=C1F	REAL300000548415	0	42	-2.0	-100.73	369.90	4.09	-96.64
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C(F)=C1	REAL300000548416	0	39	-2.0	-89.61	349.64	3.46	-86.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1Cl	REAL300000548417	0	39	-2.0	-88.25	356.66	3.79	-84.46
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=C1	REAL300000548418	0	40	-2.0	-103.01	353.87	1.10	-101.91
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1	REAL300000548419	0	42	-2.0	-93.71	366.33	4.18	-89.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C(N2CCOCC2)N=C1	REAL300000548420	0	42	-2.0	-98.65	353.71	4.07	-94.58
CC1=CC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000548421	0	42	-2.0	-101.37	369.01	4.04	-97.33
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(N2CCOCC2)N=C1	REAL300000548422	0	42	-2.0	-91.17	359.58	4.17	-87.00
CC1=CC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000548423	0	45	-2.0	-106.29	381.66	4.59	-101.70
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C(C)=C1C(=O)[O-]	REAL300000548424	0	45	-2.0	-102.80	377.55	4.81	-97.99
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000548425	0	42	-2.0	-100.45	365.63	3.99	-96.46
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=C1	REAL300000548426	0	42	-2.0	-106.43	369.20	4.08	-102.35
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000548427	0	45	-2.0	-103.82	378.44	4.58	-99.24
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000548428	0	43	-2.0	-101.95	372.19	3.61	-98.34
CC1=CC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000548429	0	42	-2.0	-90.57	360.17	3.94	-86.63
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(N2CCOCC2)N=C1	REAL300000548430	0	42	-2.0	-101.69	364.11	4.21	-97.48
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=C1F	REAL300000548431	0	39	-2.0	-105.88	347.82	3.43	-102.45
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300000548432	0	42	-2.0	-94.79	369.10	4.07	-90.72
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=C1	REAL300000548433	0	38	-2.0	-99.67	340.38	1.51	-98.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(N2CCOCC2)N=C1	REAL300000548434	0	43	-2.0	-94.49	372.36	3.20	-91.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)=C(Cl)O1	REAL300000548435	0	36	-2.0	-90.81	344.29	2.36	-88.45
CCC1=C(S(=O)(=O)[N-]C2=CN=C(N3CCOCC3)N=C2)C=C(C(=O)[O-])O1	REAL300000548436	0	42	-2.0	-96.94	366.32	3.39	-93.55
CC1=CC=CC=C1OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000548440	0	39	-2.0	-102.61	368.46	7.58	-95.03
CC1=CC=CC=C1OC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300000548442	1	43	-2.0	-105.03	381.18	7.92	-97.11
CC1=CC=CC=C1OC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000548443	1	39	-2.0	-104.05	366.94	7.60	-96.45
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3=CC=CC=C3C)C=C2)C=C(C(=O)[O-])O1	REAL300000548444	0	42	-2.0	-100.59	377.57	7.70	-92.89
CC1=CC=CC=C1OC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000548445	0	39	-2.0	-95.80	366.79	7.68	-88.12
CC1=CC=CC=C1OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000548446	0	43	-2.0	-108.63	384.99	6.28	-102.35
CC1=CC=CC=C1OC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000548446	1	43	-2.0	-107.33	383.96	7.12	-100.21
CC1=CC=CC=C1OC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000548451	0	41	-2.0	-106.06	371.50	6.68	-99.38
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000548452	0	32	-2.0	-116.04	331.66	5.43	-110.61
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000548453	0	32	-2.0	-106.39	327.11	5.40	-100.99
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000548454	0	32	-2.0	-118.60	327.13	5.39	-113.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1C#N	REAL300000548455	0	36	-2.0	-123.31	355.26	5.21	-118.10
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000548456	0	36	-2.0	-100.36	359.73	6.64	-93.72
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000548457	0	35	-2.0	-119.66	343.14	5.93	-113.73
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000548458	0	32	-2.0	-113.74	340.19	5.97	-107.77
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000548459	0	32	-2.0	-114.41	339.64	5.79	-108.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)=C1C	REAL300000548460	0	38	-2.0	-121.05	359.79	6.76	-114.29
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000548461	0	32	-2.0	-109.23	333.73	5.41	-103.82
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000548462	0	38	-2.0	-99.85	371.85	6.93	-92.92
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000548463	0	29	-2.0	-107.46	321.47	4.37	-103.09
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1C#N	REAL300000548464	0	35	-2.0	-112.52	343.69	6.14	-106.38
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000548465	0	36	-2.0	-104.29	358.20	5.68	-98.61
CN1C=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000548466	0	33	-2.0	-111.37	334.92	4.69	-106.68
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1C#N	REAL300000548467	0	36	-2.0	-119.39	351.32	4.22	-115.17
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)=C1	REAL300000548468	0	32	-2.0	-109.35	336.23	5.08	-104.27
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000548469	0	38	-2.0	-113.68	359.73	6.66	-107.02
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000548470	0	29	-2.0	-114.46	318.78	4.42	-110.04
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000548471	0	36	-2.0	-124.47	354.41	5.46	-119.01
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1C#N	REAL300000548472	0	41	-2.0	-120.88	381.05	7.40	-113.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1C#N	REAL300000548473	0	38	-2.0	-117.01	357.25	7.12	-109.89
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000548474	0	39	-2.0	-123.10	371.37	7.28	-115.82
CC1=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000548475	0	32	-2.0	-106.62	331.29	4.49	-102.13
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)=C1	REAL300000548476	0	36	-2.0	-115.38	357.22	4.44	-110.94
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1C#N	REAL300000548477	0	35	-2.0	-109.82	347.84	6.21	-103.61
CC1=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)C=C(C(=O)[O-])S1	REAL300000548478	0	32	-2.0	-115.40	336.80	5.28	-110.12
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000548479	0	32	-2.0	-103.94	340.18	5.96	-97.98
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000548480	0	32	-2.0	-100.82	332.81	5.38	-95.44
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000548481	0	29	-2.0	-108.22	319.38	4.52	-103.70
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000548482	0	32	-2.0	-109.54	333.53	5.46	-104.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)=C1F	REAL300000548483	0	35	-2.0	-110.67	354.00	6.05	-104.62
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000548484	0	32	-2.0	-105.83	332.59	5.47	-100.36
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000548485	0	32	-2.0	-104.00	339.62	5.80	-98.20
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000548486	0	32	-2.0	-107.88	337.95	5.49	-102.39
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000548487	0	32	-3.0	-208.18	334.41	3.95	-204.23
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000548487	1	33	-2.0	-117.44	336.85	3.12	-114.32
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000548488	0	35	-2.0	-111.19	349.30	6.18	-105.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1C#N	REAL300000548489	0	35	-2.0	-110.47	338.36	5.98	-104.49
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)=CC(C(=O)[O-])=C1F	REAL300000548490	0	35	-2.0	-111.70	353.11	5.99	-105.71
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1C#N	REAL300000548491	0	35	-2.0	-101.23	343.68	6.12	-95.11
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)=CC(C(=O)[O-])=C1C	REAL300000548492	0	38	-2.0	-123.04	363.93	6.57	-116.47
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000548493	0	32	-2.0	-107.38	338.88	5.52	-101.86
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)C(C)=C1C(=O)[O-]	REAL300000548494	0	38	-2.0	-115.07	361.65	6.76	-108.31
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000548495	0	35	-2.0	-117.71	352.47	6.09	-111.62
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)=C1	REAL300000548496	0	35	-2.0	-119.20	353.32	6.03	-113.17
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000548497	0	38	-2.0	-120.32	361.42	6.59	-113.73
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000548498	0	36	-2.0	-118.38	355.15	5.62	-112.76
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)=CC=C1C(=O)[O-]	REAL300000548499	0	35	-2.0	-106.54	343.13	5.94	-100.60
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1C#N	REAL300000548500	0	35	-2.0	-116.32	347.04	6.22	-110.10
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000548501	0	32	-2.0	-123.06	330.78	5.43	-117.63
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)C=C1C(=O)[O-]	REAL300000548502	0	35	-2.0	-104.58	349.44	5.92	-98.66
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000548503	0	31	-2.0	-109.01	325.26	3.41	-105.60
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(F)F)C=C1C#N	REAL300000548504	0	36	-2.0	-105.08	356.48	5.15	-99.93
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000548505	0	29	-2.0	-106.75	327.27	4.37	-102.38
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000548506	0	39	-2.0	-112.49	373.26	7.28	-105.21
N#CC1=CN(CC(F)F)N=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000548507	0	39	-2.0	-117.18	372.57	7.28	-109.90
CCC1=C(S(=O)(=O)[N-]C2=NN(CC(F)F)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000548508	0	35	-2.0	-112.26	349.23	5.39	-106.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=CC=C1F	REAL300000548509	1	35	-2.0	-105.94	331.70	7.27	-98.67
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548511	1	35	-2.0	-108.63	327.17	7.24	-101.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2(F)F)C=C1	REAL300000548512	0	39	-2.0	-115.40	355.29	7.04	-108.36
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)C=C1	REAL300000548513	1	39	-2.0	-96.13	358.59	8.54	-87.59
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548515	0	35	-2.0	-105.27	340.22	7.82	-97.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=CC=C1Cl	REAL300000548516	1	35	-2.0	-104.35	339.68	7.63	-96.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1C	REAL300000548517	1	41	-2.0	-112.81	359.55	8.55	-104.26
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548518	0	35	-2.0	-106.93	332.63	7.31	-99.62
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)C=C1	REAL300000548519	1	41	-2.0	-95.38	370.71	8.83	-86.55
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548520	0	32	-2.0	-103.83	320.33	6.26	-97.57
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2(F)F)C=C1	REAL300000548521	1	38	-2.0	-109.70	342.60	8.03	-101.67
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000548523	1	36	-2.0	-107.06	333.80	6.59	-100.47
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548525	0	35	-2.0	-99.25	336.28	6.93	-92.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=CS1	REAL300000548527	0	32	-2.0	-105.31	318.82	6.27	-99.04
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2(F)F)C=C1	REAL300000548529	1	44	-2.0	-111.88	381.05	9.24	-102.64
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2(F)F)C=C1	REAL300000548530	1	41	-2.0	-109.30	357.30	8.96	-100.34
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2(F)F)C=C1	REAL300000548531	0	42	-2.0	-115.72	377.58	7.81	-107.91
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548532	0	38	-2.0	-107.07	358.27	7.77	-99.30
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548532	1	37	-3.0	-184.55	355.58	7.81	-176.74
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548533	1	42	-2.0	-115.16	371.39	9.14	-106.02
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000548534	0	35	-2.0	-103.45	330.16	6.38	-97.07
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548535	0	39	-2.0	-109.62	356.11	6.33	-103.29
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CC2(F)F)C=C1	REAL300000548537	1	38	-2.0	-100.22	347.86	8.06	-92.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000548539	1	35	-2.0	-107.09	335.75	7.13	-99.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)C(Cl)=C1	REAL300000548540	0	35	-2.0	-93.98	340.20	7.80	-86.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)C=C1F	REAL300000548541	1	35	-2.0	-95.89	331.67	7.28	-88.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)S1	REAL300000548542	0	32	-2.0	-98.03	319.42	6.37	-91.66
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548543	1	35	-2.0	-99.43	333.58	7.31	-92.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1F	REAL300000548544	0	38	-2.0	-107.68	352.93	7.95	-99.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)C(F)=C1	REAL300000548545	0	35	-2.0	-95.82	332.61	7.31	-88.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)C=C1Cl	REAL300000548546	1	35	-2.0	-94.13	339.66	7.64	-86.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=CC(F)=C1F	REAL300000548547	1	35	-2.0	-98.48	337.98	7.34	-91.14
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548548	1	37	-2.0	-93.64	355.36	7.91	-85.73
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548549	0	36	-2.0	-109.77	336.86	4.96	-104.81
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548549	1	36	-2.0	-110.81	336.06	5.75	-105.06
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)C=C1	REAL300000548550	1	38	-2.0	-100.24	349.31	8.03	-92.21
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2CC2(F)F)C=C1	REAL300000548551	1	38	-2.0	-105.78	340.97	7.98	-97.80
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=CC(C(=O)[O-])=C1F	REAL300000548552	1	38	-2.0	-108.58	352.00	7.89	-100.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=CC=C1[N+](=O)[O-]	REAL300000548555	0	37	-2.0	-107.90	353.73	8.33	-99.57
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548556	0	35	-2.0	-97.85	338.93	7.37	-90.48
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000548558	0	38	-2.0	-108.11	348.63	7.84	-100.27
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548559	0	38	-2.0	-113.26	352.19	7.94	-105.32
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000548562	1	39	-2.0	-108.35	355.17	7.46	-100.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1[N+](=O)[O-]	REAL300000548565	0	37	-2.0	-116.98	350.90	9.10	-107.88
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1F	REAL300000548566	0	35	-2.0	-113.77	330.81	7.28	-106.49
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)C=C1C(=O)[O-]	REAL300000548567	1	38	-2.0	-102.26	352.12	7.91	-94.35
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000548568	0	34	-2.0	-106.55	323.36	5.36	-101.19
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2CC2(F)F)C=C1	REAL300000548569	0	39	-2.0	-100.84	355.36	7.04	-93.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)=C(Cl)O1	REAL300000548570	0	32	-2.0	-97.05	327.30	6.22	-90.83
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4CC4(F)F)C=C3)C=C2)CC1	REAL300000548571	1	42	-2.0	-102.96	373.30	9.13	-93.83
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4CC4(F)F)C=C3)C=C2C1	REAL300000548572	1	42	-2.0	-106.04	372.61	9.14	-96.90
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3CC3(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000548573	0	38	-2.0	-102.57	349.27	7.24	-95.33
CS(C)(=O)=NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000548574	1	40	-2.0	-122.82	373.67	3.31	-119.51
CS(C)(=O)=NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000548575	1	40	-2.0	-136.45	373.67	3.30	-133.15
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N=S(C)(C)=O)=C2)C=C1C(=O)[O-]	REAL300000548576	0	41	-2.0	-134.76	380.32	2.65	-132.11
CS(C)(=O)=NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000548577	0	39	-2.0	-131.23	370.66	1.38	-129.85
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)=CC=C21	REAL300000548578	1	42	-2.0	-95.60	376.04	5.35	-90.25
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000548579	1	35	-2.0	-112.67	324.12	6.80	-105.87
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=CN2C	REAL300000548580	0	43	-2.0	-113.36	379.21	7.85	-105.51
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300000548581	1	35	-2.0	-102.54	319.57	6.77	-95.77
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000548582	1	35	-2.0	-115.57	319.59	6.76	-108.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=CN2C	REAL300000548583	0	39	-2.0	-120.83	347.73	6.56	-114.27
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C21	REAL300000548584	1	39	-2.0	-101.79	351.03	8.06	-93.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000548585	1	38	-2.0	-116.78	335.61	7.30	-109.48
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C21	REAL300000548586	0	35	-2.0	-110.60	332.66	7.34	-103.26
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000548587	1	35	-2.0	-111.15	332.09	7.16	-103.99
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C=C3Cl)=CC=C21	REAL300000548588	0	35	-2.0	-106.08	345.16	7.71	-98.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)=C1C	REAL300000548589	1	41	-2.0	-117.73	351.98	8.08	-109.65
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C21	REAL300000548590	0	35	-2.0	-112.58	325.06	6.83	-105.75
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300000548591	1	41	-2.0	-101.08	363.15	8.36	-92.72
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000548592	0	32	-2.0	-109.54	312.77	5.78	-103.76
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=CN2C	REAL300000548593	1	38	-2.0	-115.83	335.01	7.55	-108.28
CN1C=CC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000548595	0	36	-2.0	-113.89	326.23	6.12	-107.77
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)=C1	REAL300000548597	0	35	-2.0	-105.56	328.70	6.45	-99.11
CN1C=CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000548599	0	32	-2.0	-111.00	311.23	5.81	-105.19
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)=CC(C(=O)[O-])=C1OC	REAL300000548600	1	43	-2.0	-115.88	377.90	6.58	-109.30
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)=CC=C21	REAL300000548602	1	45	-2.0	-119.97	374.84	9.38	-110.59
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=CN2C	REAL300000548603	1	44	-2.0	-118.10	373.49	8.77	-109.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=CN2C	REAL300000548604	1	41	-2.0	-113.77	349.73	8.48	-105.29
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=CN2C	REAL300000548605	0	42	-2.0	-121.98	370.02	7.33	-114.65
CN1C=CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C21	REAL300000548606	0	38	-2.0	-112.85	350.70	7.29	-105.56
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=CC=C21	REAL300000548606	1	37	-3.0	-192.23	347.99	7.33	-184.90
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C21	REAL300000548607	1	42	-2.0	-120.35	363.83	8.66	-111.69
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)C=C(C(=O)[O-])O1	REAL300000548608	0	35	-2.0	-108.61	322.59	5.91	-102.70
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)=CC=C21	REAL300000548609	1	41	-2.0	-120.36	361.75	6.54	-113.82
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)=C1	REAL300000548610	0	39	-2.0	-116.63	348.57	5.85	-110.78
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)=CC=C21	REAL300000548611	1	43	-2.0	-102.08	373.22	7.39	-94.69
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(Cl)C(C(=O)[O-])=C3)=CC=C21	REAL300000548612	1	35	-2.0	-104.71	347.26	7.62	-97.09
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=CC=C21	REAL300000548613	0	35	-2.0	-106.99	337.18	7.35	-99.64
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000548614	1	39	-2.0	-98.86	366.68	7.59	-91.27
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=CN2C	REAL300000548616	1	38	-2.0	-106.15	340.29	7.58	-98.57
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=CC=C21	REAL300000548617	1	39	-2.0	-99.76	356.88	7.11	-92.65
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)C=C(C(=O)[O-])S1	REAL300000548619	0	35	-2.0	-112.06	328.19	6.66	-105.40
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3Cl)=CC=C21	REAL300000548620	0	35	-2.0	-104.20	347.80	7.79	-96.41
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C21	REAL300000548621	0	35	-2.0	-99.98	332.63	7.33	-92.65
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C21	REAL300000548622	1	35	-2.0	-101.78	324.12	6.81	-94.97
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000548623	0	32	-2.0	-104.27	311.85	5.90	-98.37
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C21	REAL300000548624	1	35	-2.0	-106.06	325.99	6.83	-99.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)=C1F	REAL300000548625	0	38	-2.0	-114.05	345.34	7.47	-106.58
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)=C(Cl)C=C1C(=O)[O-]	REAL300000548626	0	39	-2.0	-104.65	359.90	7.38	-97.27
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C21	REAL300000548627	0	35	-2.0	-102.13	325.05	6.84	-95.29
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C21	REAL300000548628	1	35	-2.0	-99.96	332.09	7.17	-92.79
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=CN2C	REAL300000548629	1	38	-2.0	-107.88	349.03	7.97	-99.91
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)=CC=C21	REAL300000548630	1	43	-2.0	-98.31	383.33	8.18	-90.13
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000548631	1	35	-2.0	-103.87	330.40	6.86	-97.01
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=CC=C21	REAL300000548632	0	37	-2.0	-99.98	347.77	7.43	-92.55
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C21	REAL300000548633	0	36	-2.0	-114.59	329.30	4.48	-110.11
CN1C=CC2=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=CC=C21	REAL300000548633	1	36	-2.0	-109.36	318.31	5.36	-104.00
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C21	REAL300000548634	1	38	-2.0	-105.96	341.75	7.55	-98.41
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=CC=C21	REAL300000548635	1	35	-2.0	-105.46	340.29	7.30	-98.16
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=CN2C	REAL300000548636	1	38	-2.0	-111.89	329.65	7.40	-104.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)=CC(C(=O)[O-])=C1F	REAL300000548637	1	38	-2.0	-114.08	344.42	7.42	-106.66
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)=CC(C(=O)[O-])=C1C	REAL300000548639	1	41	-2.0	-120.11	357.08	7.97	-112.14
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=CC=C21	REAL300000548640	0	37	-2.0	-113.09	346.14	7.86	-105.23
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C21	REAL300000548641	0	35	-2.0	-104.03	331.34	6.89	-97.14
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000548643	0	38	-2.0	-113.81	341.06	7.37	-106.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)=C1Cl	REAL300000548644	0	38	-2.0	-112.49	351.35	7.90	-104.59
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)=C1	REAL300000548645	0	38	-2.0	-121.01	344.62	7.46	-113.55
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000548646	1	41	-2.0	-117.62	353.52	7.95	-109.67
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=CN2C	REAL300000548648	1	38	-2.0	-104.76	346.37	7.91	-96.85
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)=CC=C21	REAL300000548649	1	38	-2.0	-98.89	349.70	7.57	-91.32
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)=CC(C(=O)[O-])=C1Cl	REAL300000548650	1	38	-2.0	-113.06	350.81	7.72	-105.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000548651	0	39	-2.0	-115.21	347.60	6.99	-108.22
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000548653	1	38	-2.0	-109.87	353.33	7.83	-102.04
CN1C=CC2=CC([N-]S(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)=CC=C21	REAL300000548654	0	44	-2.0	-111.50	369.02	8.90	-102.60
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000548655	0	39	-2.0	-116.17	359.91	7.39	-108.78
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)=CC=C1C(=O)[O-]	REAL300000548656	1	38	-2.0	-102.70	335.59	7.31	-95.39
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3[N+](=O)[O-])=CC=C21	REAL300000548657	0	40	-2.0	-108.29	362.85	8.96	-99.33
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=CN2C	REAL300000548658	1	38	-2.0	-112.76	339.54	7.58	-105.18
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=CC=C21	REAL300000548659	0	37	-2.0	-123.31	343.34	8.62	-114.69
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C21	REAL300000548660	0	35	-2.0	-120.15	323.24	6.80	-113.35
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)C=C1C(=O)[O-]	REAL300000548661	1	38	-2.0	-107.99	344.52	7.44	-100.55
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C21	REAL300000548662	1	41	-2.0	-124.00	360.62	8.89	-115.11
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000548663	0	34	-2.0	-113.26	315.80	4.89	-108.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)C=CN2C	REAL300000548664	0	39	-2.0	-106.99	347.79	6.56	-100.43
CN1C=CC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C21	REAL300000548665	0	32	-2.0	-102.48	319.72	5.74	-96.74
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C21	REAL300000548666	1	42	-2.0	-109.13	365.71	8.65	-100.48
CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C21	REAL300000548667	1	42	-2.0	-113.64	365.02	8.65	-104.99
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)C=CN3C)C=C(C(=O)[O-])O1	REAL300000548668	0	38	-2.0	-108.38	341.72	6.76	-101.62
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000548669	0	36	-2.0	-108.17	346.69	4.54	-103.63
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000548670	0	36	-2.0	-98.18	342.15	4.51	-93.67
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000548671	0	36	-2.0	-110.60	342.16	4.50	-106.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CN=C2)N=C1C	REAL300000548672	0	40	-2.0	-116.49	370.30	4.33	-112.16
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000548673	0	40	-2.0	-98.28	373.63	5.80	-92.48
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000548674	0	39	-2.0	-111.67	358.18	5.04	-106.63
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000548675	0	36	-2.0	-106.81	355.23	5.08	-101.73
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000548676	0	36	-2.0	-106.42	354.67	4.90	-101.52
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000548677	0	42	-2.0	-113.92	375.27	5.84	-108.08
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000548678	0	36	-2.0	-108.14	347.64	4.57	-103.57
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000548679	0	42	-2.0	-97.51	385.75	6.10	-91.41
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000548680	0	33	-2.0	-104.72	335.35	3.54	-101.18
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000548681	0	39	-2.0	-112.24	357.59	5.29	-106.95
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000548682	0	40	-2.0	-96.83	373.23	4.79	-92.04
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000548683	0	37	-2.0	-108.87	348.81	3.87	-105.00
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000548684	0	40	-2.0	-112.54	366.37	3.33	-109.21
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(C3=CC=CN=C3)N=C2C)=C1	REAL300000548685	0	36	-2.0	-100.76	351.28	4.20	-96.56
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000548686	0	42	-2.0	-113.46	373.62	5.83	-107.63
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000548687	0	33	-2.0	-106.29	333.81	3.54	-102.75
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CN=C3)N=C2C)C=C1C(=O)[O-]	REAL300000548688	0	40	-2.0	-116.42	369.46	4.57	-111.85
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C2=CC=CN=C2)N=C1C	REAL300000548689	0	42	-2.0	-110.98	371.90	6.22	-104.76
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000548690	0	43	-2.0	-116.04	386.40	6.40	-109.64
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000548691	0	36	-2.0	-104.75	345.16	3.65	-101.10
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000548692	0	40	-2.0	-111.51	371.15	3.62	-107.89
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000548693	0	39	-2.0	-102.56	362.87	5.32	-97.24
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000548694	0	36	-2.0	-108.51	350.78	4.41	-104.10
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000548695	0	36	-2.0	-95.80	355.21	5.07	-90.73
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000548696	0	36	-2.0	-97.64	346.70	4.55	-93.09
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000548697	0	33	-2.0	-99.60	334.42	3.65	-95.95
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000548698	0	36	-2.0	-101.41	348.56	4.57	-96.84
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000548699	0	39	-2.0	-109.42	367.92	5.21	-104.21
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000548700	0	36	-2.0	-97.38	347.62	4.58	-92.80
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000548701	0	36	-2.0	-95.68	354.67	4.91	-90.77
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000548702	0	36	-2.0	-99.63	352.98	4.60	-95.03
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000548703	0	37	-2.0	-111.35	351.87	2.24	-109.11
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000548704	0	39	-2.0	-101.96	364.35	5.29	-96.67
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000548705	0	39	-2.0	-106.34	352.23	5.15	-101.19
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000548706	0	39	-2.0	-109.32	366.99	5.16	-104.16
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000548707	0	39	-2.0	-98.59	357.57	5.28	-93.31
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000548708	0	42	-2.0	-113.31	375.63	5.59	-107.72
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000548709	0	36	-2.0	-99.60	353.90	4.63	-94.97
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000548710	0	42	-2.0	-110.43	376.64	5.89	-104.54
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000548711	0	39	-2.0	-109.13	363.64	5.11	-104.02
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000548712	0	39	-2.0	-114.64	367.19	5.20	-109.44
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C3=CC=CN=C3)N=C2C)C=C1C(=O)[O-]	REAL300000548713	0	42	-2.0	-112.33	376.40	5.69	-106.64
CCN1C=C(S(=O)(=O)[N-]C2=NN(C3=CC=CN=C3)N=C2C)C=C1C(=O)[O-]	REAL300000548714	0	40	-2.0	-110.08	370.19	4.74	-105.34
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000548715	0	39	-2.0	-98.21	358.17	5.05	-93.16
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000548716	0	39	-2.0	-109.63	362.12	5.33	-104.30
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000548717	0	36	-2.0	-113.93	345.80	4.53	-109.40
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000548718	0	39	-2.0	-102.10	363.32	5.08	-97.02
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000548719	0	35	-2.0	-108.15	339.15	2.57	-105.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C2=CC=CN=C2)N=C1C	REAL300000548720	0	40	-2.0	-102.37	370.36	4.32	-98.05
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000548721	0	33	-2.0	-98.29	342.26	3.48	-94.81
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000548722	0	43	-2.0	-105.00	388.28	6.39	-98.61
CC1=NN(C2=CC=CN=C2)N=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000548723	0	43	-2.0	-107.53	387.60	6.39	-101.14
CCC1=C(S(=O)(=O)[N-]C2=NN(C3=CC=CN=C3)N=C2C)C=C(C(=O)[O-])O1	REAL300000548724	0	39	-2.0	-104.65	364.28	4.50	-100.15
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(CC(C)C)=C1	REAL300000548725	1	46	-2.0	-91.28	400.52	8.42	-82.86
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(CC(C)C)=C1	REAL300000548726	1	46	-2.0	-103.29	400.54	8.41	-94.88
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(CC(C)C)=C1	REAL300000548727	0	43	-2.0	-97.81	393.71	7.44	-90.37
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(CC(C)C)=C1	REAL300000548728	0	47	-2.0	-101.65	407.18	7.77	-93.88
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(CC(C)C)=C1	REAL300000548729	0	43	-2.0	-98.17	387.36	7.62	-90.55
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(CC(C)C)=C1	REAL300000548730	0	46	-2.0	-97.40	403.55	7.57	-89.83
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(CC(C)C)=C1	REAL300000548731	0	43	-2.0	-91.89	387.97	7.70	-84.19
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(CC(C)C)=C1	REAL300000548732	0	45	-2.0	-101.24	396.72	6.55	-94.69
CC1=C(C)SC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000548758	0	35	-2.0	-110.20	343.74	4.38	-105.82
CC1=C(C)SC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000548784	0	33	-2.0	-105.02	314.44	2.83	-102.19
CC1=C(C)SC(N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000548808	1	37	-2.0	-96.24	355.08	6.16	-90.08
CC1=C(C)SC(N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000548810	1	34	-2.0	-111.46	335.53	5.96	-105.50
CC1=C(C)SC(N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000548816	1	29	-2.0	-92.27	311.95	3.08	-89.19
O=C([O-])C1=CC(S(=O)(=O)NNC2=CC(=O)NC(=O)N2)=CC(C(=O)[O-])=C1	REAL300000548845	0	33	-2.0	-107.47	326.28	0.05	-107.42
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NNC2=CC(=O)NC(=O)N2)=C1	REAL300000548871	0	31	-2.0	-96.26	296.97	-1.52	-97.78
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]NC2=CC(=O)NC(=O)N2)=C1	REAL300000548879	1	30	-2.0	-88.01	306.61	-0.13	-88.14
O=C([O-])C1=CC(S(=O)(=O)[N-]NC2=CC(=O)NC(=O)N2)=C(F)C(Cl)=C1F	REAL300000548891	1	30	-2.0	-87.48	320.44	0.30	-87.18
O=C([O-])C1=CC(S(=O)(=O)[N-]NC2=CC(=O)NC(=O)N2)=C(Cl)O1	REAL300000548903	1	27	-2.0	-88.80	294.99	-1.27	-90.07
CC1=CC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=NC=C1C(F)(F)F	REAL300000548923	0	36	-2.0	-100.22	339.27	4.08	-96.14
CC1=CC(N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NC=C1C(F)(F)F	REAL300000548931	1	32	-2.0	-92.83	336.79	4.33	-88.50
CC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=NN1CC1=CC=CC=C1	REAL300000548933	0	41	-2.0	-119.96	377.88	8.11	-111.85
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=NN1CC1=CC=CC=C1	REAL300000548934	0	41	-2.0	-109.61	373.28	8.07	-101.54
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=NN1CC1=CC=CC=C1	REAL300000548935	0	41	-2.0	-123.34	373.35	8.08	-115.26
CC1=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=NN1CC1=CC=CC=C1	REAL300000548936	0	45	-2.0	-109.06	404.80	9.37	-99.69
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=NN1CC1=CC=CC=C1	REAL300000548937	0	44	-2.0	-125.98	393.41	8.73	-117.25
CC1=CC([N-]S(=O)(=O)C2=C(C)C(C)=CC(C(=O)[O-])=C2)=NN1CC1=CC=CC=C1	REAL300000548938	0	47	-2.0	-126.62	406.46	9.41	-117.21
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NN1CC1=CC=CC=C1	REAL300000548939	0	41	-2.0	-121.10	378.83	8.14	-112.96
CC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=NN1CC1=CC=CC=C1	REAL300000548940	0	47	-2.0	-108.64	416.92	9.67	-98.97
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NN1CC1=CC=CC=C1	REAL300000548941	0	38	-2.0	-117.08	366.53	7.10	-109.98
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=NN1CC1=CC=CC=C1	REAL300000548942	0	44	-2.0	-124.67	388.78	8.85	-115.82
CC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=NN1CC1=CC=CC=C1	REAL300000548943	0	42	-2.0	-121.48	379.94	7.41	-114.07
CC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NN1CC1=CC=CC=C1	REAL300000548944	0	41	-2.0	-112.77	382.47	7.77	-105.00
CC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(C(=O)[O-])=C2)=NN1CC1=CC=CC=C1	REAL300000548945	0	47	-2.0	-126.15	404.80	9.39	-116.76
CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NN1CC1=CC=CC=C1	REAL300000548946	0	38	-2.0	-118.39	365.00	7.10	-111.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC2=CC=CC=C2)C(C)=C1	REAL300000548947	0	47	-2.0	-122.80	403.50	9.80	-113.00
CC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NN1CC1=CC=CC=C1	REAL300000548948	0	41	-2.0	-116.60	376.36	7.22	-109.38
CC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NN1CC1=CC=CC=C1	REAL300000548949	0	41	-2.0	-120.59	381.98	7.97	-112.62
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NN1CC1=CC=CC=C1	REAL300000548950	0	41	-2.0	-108.68	377.86	8.12	-100.56
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NN1CC1=CC=CC=C1	REAL300000548951	0	38	-2.0	-111.42	365.60	7.21	-104.21
CC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NN1CC1=CC=CC=C1	REAL300000548952	0	41	-2.0	-113.44	379.75	8.15	-105.29
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NN1CC1=CC=CC=C1	REAL300000548953	0	41	-2.0	-109.11	378.81	8.15	-100.96
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=NN1CC1=CC=CC=C1	REAL300000548954	0	42	-2.0	-123.56	383.02	5.79	-117.77
CC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=NN1CC1=CC=CC=C1	REAL300000548955	0	44	-2.0	-113.97	395.52	8.86	-105.11
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=NN1CC1=CC=CC=C1	REAL300000548956	0	44	-2.0	-118.76	383.42	8.71	-110.05
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=NN1CC1=CC=CC=C1	REAL300000548957	0	44	-2.0	-109.79	388.76	8.84	-100.95
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C(C)=C2)=NN1CC1=CC=CC=C1	REAL300000548958	0	47	-2.0	-128.03	410.15	9.25	-118.78
CC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=NN1CC1=CC=CC=C1	REAL300000548959	0	47	-2.0	-122.91	407.83	9.46	-113.45
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=C3)C(C)=C2)C=C1C(=O)[O-]	REAL300000548960	0	47	-2.0	-125.32	407.58	9.27	-116.05
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=C3)C(C)=C2)C=C1C(=O)[O-]	REAL300000548961	0	45	-2.0	-122.83	401.37	8.30	-114.53
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=NN1CC1=CC=CC=C1	REAL300000548962	0	44	-2.0	-111.46	393.40	8.73	-102.73
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NN1CC1=CC=CC=C1	REAL300000548963	0	41	-2.0	-126.96	376.95	8.10	-118.86
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NN1CC1=CC=CC=C1	REAL300000548964	0	40	-2.0	-121.04	369.51	6.18	-114.86
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=NN1CC1=CC=CC=C1	REAL300000548965	0	38	-2.0	-110.04	373.46	7.04	-103.00
CCC1=C(S(=O)(=O)[N-]C2=NN(CC3=CC=CC=C3)C(C)=C2)C=C(C(=O)[O-])O1	REAL300000548966	0	44	-2.0	-116.45	395.48	8.07	-108.38
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1Cl	REAL300000548970	1	36	-2.0	-110.40	345.56	4.74	-105.66
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000548976	1	32	-2.0	-102.27	322.89	5.00	-97.27
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000548978	1	29	-2.0	-99.40	310.60	3.95	-95.45
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1Cl	REAL300000548983	1	32	-2.0	-96.26	322.09	4.71	-91.55
COC1=CC(F)=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000548989	1	32	-2.0	-100.07	315.99	4.16	-95.91
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1Cl	REAL300000548990	1	36	-2.0	-106.64	341.97	4.11	-102.53
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000548995	1	29	-2.0	-94.49	309.67	4.07	-90.42
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1Cl	REAL300000548997	1	35	-2.0	-103.68	343.16	5.63	-98.05
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000548998	1	32	-2.0	-92.36	322.88	5.01	-87.35
COC1=CC(F)=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000549001	0	33	-2.0	-103.35	321.56	3.49	-99.86
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1Cl	REAL300000549007	1	32	-2.0	-94.13	329.15	5.07	-89.06
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1Cl	REAL300000549009	1	35	-2.0	-103.33	338.88	5.54	-97.79
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000549010	1	35	-2.0	-110.11	342.45	5.63	-104.48
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000549015	1	32	-2.0	-109.32	316.61	5.05	-104.27
COC1=CC(F)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000549017	0	31	-2.0	-103.11	309.96	3.09	-100.02
COC1=CC(F)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000549019	1	29	-2.0	-93.03	317.51	3.91	-89.12
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=C(OC)C=C2F)C=C(C(=O)[O-])O1	REAL300000549022	1	35	-2.0	-100.08	335.11	5.01	-95.07
N#CC1=CC=CC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000549049	0	33	-2.0	-109.64	334.64	4.45	-105.19
N#CC1=CC=CC(NNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000549078	0	31	-2.0	-105.03	305.33	2.90	-102.13
N#CC1=CC=CC(N[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000549103	1	35	-2.0	-101.19	343.42	6.22	-94.97
N#CC1=CC=CC(N[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000549105	1	32	-2.0	-118.94	326.42	6.02	-112.92
N#CC1=CC=CC(N[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000549111	1	27	-2.0	-99.20	302.84	3.14	-96.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=CC=C1F	REAL300000549115	1	35	-2.0	-107.12	327.30	4.46	-102.66
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC(O)=CC=C2C=C1	REAL300000549116	0	43	-2.0	-107.89	382.37	5.53	-102.36
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1	REAL300000549117	1	35	-2.0	-97.41	322.73	4.44	-92.97
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549118	1	35	-2.0	-110.20	322.76	4.43	-105.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC(O)=CC=C2C=C1	REAL300000549119	0	39	-2.0	-115.06	350.88	4.24	-110.82
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1	REAL300000549120	1	39	-2.0	-96.70	354.21	5.73	-90.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000549121	1	38	-2.0	-112.72	342.82	5.08	-107.64
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549122	0	35	-2.0	-105.05	335.83	5.00	-100.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=CC=C1Cl	REAL300000549123	1	35	-2.0	-105.51	335.27	4.82	-100.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1C	REAL300000549124	1	41	-2.0	-112.57	355.43	5.79	-106.78
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549125	0	35	-2.0	-106.97	328.23	4.49	-102.48
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1	REAL300000549126	1	41	-2.0	-95.84	366.32	6.02	-89.82
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549127	0	32	-2.0	-104.41	315.94	3.46	-100.95
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC(O)=CC=C2C=C1	REAL300000549128	1	38	-2.0	-110.35	338.19	5.22	-105.13
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000549130	0	36	-2.0	-108.51	329.40	3.79	-104.72
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549132	0	35	-2.0	-100.29	331.86	4.12	-96.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=CS1	REAL300000549134	0	32	-2.0	-105.50	314.40	3.48	-102.02
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549136	1	45	-2.0	-114.32	378.01	7.06	-107.26
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC(O)=CC=C2C=C1	REAL300000549137	1	44	-2.0	-112.48	376.65	6.45	-106.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC(O)=CC=C2C=C1	REAL300000549138	1	41	-2.0	-108.37	352.89	6.16	-102.21
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC(O)=CC=C2C=C1	REAL300000549139	0	42	-2.0	-116.22	373.18	5.01	-111.21
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549140	0	38	-2.0	-109.57	353.65	4.99	-104.58
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549140	1	37	-3.0	-186.49	351.16	5.00	-181.49
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549141	1	42	-2.0	-114.63	367.02	6.34	-108.29
CC1=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C(C(=O)[O-])O1	REAL300000549142	0	35	-2.0	-103.49	325.76	3.59	-99.90
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549143	0	39	-2.0	-110.97	351.74	3.52	-107.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C(Cl)C=C1F	REAL300000549145	0	35	-2.0	-101.71	340.35	5.02	-96.69
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC(O)=CC=C2C=C1	REAL300000549147	1	38	-2.0	-100.89	343.46	5.26	-95.63
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1F	REAL300000549148	1	39	-2.0	-94.86	360.05	4.78	-90.08
CC1=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C(C(=O)[O-])S1	REAL300000549150	1	35	-2.0	-106.81	331.35	4.34	-102.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C(Cl)=C1	REAL300000549151	0	35	-2.0	-94.84	335.81	4.99	-89.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1F	REAL300000549152	1	35	-2.0	-96.80	327.29	4.47	-92.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)S1	REAL300000549153	0	32	-2.0	-99.06	315.02	3.56	-95.50
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549154	1	35	-2.0	-100.59	329.16	4.50	-96.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1F	REAL300000549155	0	38	-2.0	-108.41	348.53	5.14	-103.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C(F)=C1	REAL300000549156	0	35	-2.0	-96.89	328.22	4.50	-92.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1Cl	REAL300000549157	1	35	-2.0	-94.87	335.26	4.83	-90.04
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC(O)=CC=C2C=C1	REAL300000549158	1	38	-2.0	-102.56	352.19	5.64	-96.92
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1	REAL300000549159	1	43	-2.0	-93.37	386.50	5.84	-87.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=CC(F)=C1F	REAL300000549160	1	35	-2.0	-98.62	333.58	4.52	-94.10
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549161	0	37	-2.0	-94.96	350.95	5.10	-89.86
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549162	0	36	-2.0	-108.99	332.47	2.14	-106.85
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549162	1	36	-2.0	-108.45	331.73	2.94	-105.51
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1	REAL300000549163	1	38	-2.0	-100.46	344.92	5.22	-95.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=CC(Cl)=C1F	REAL300000549164	1	35	-2.0	-100.09	343.47	4.96	-95.13
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=CC(O)=CC=C2C=C1	REAL300000549165	1	38	-2.0	-106.41	332.82	5.07	-101.34
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=CC(C(=O)[O-])=C1F	REAL300000549166	1	38	-2.0	-108.96	347.60	5.08	-103.88
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=CC(C(=O)[O-])=C1C	REAL300000549168	1	41	-2.0	-112.97	355.64	5.50	-107.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=CC=C1[N+](=O)[O-]	REAL300000549169	0	37	-2.0	-107.87	349.31	5.52	-102.35
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549170	0	35	-2.0	-98.59	334.51	4.56	-94.03
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000549172	0	38	-2.0	-109.24	348.07	5.14	-104.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1Cl	REAL300000549173	0	38	-2.0	-106.88	354.50	5.57	-101.31
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549174	0	38	-2.0	-115.31	347.79	5.12	-110.19
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000549175	1	41	-2.0	-111.63	357.00	5.62	-106.01
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=CC(O)=CC=C2C=C1	REAL300000549177	1	38	-2.0	-99.46	349.02	5.63	-93.83
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000549178	1	38	-2.0	-107.74	353.99	5.39	-102.35
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000549179	0	39	-2.0	-109.77	350.78	4.65	-105.12
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000549181	1	38	-2.0	-104.33	356.53	5.50	-98.83
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=CC=C1C(=O)[O-]	REAL300000549182	1	38	-2.0	-97.55	338.76	4.98	-92.57
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1[N+](=O)[O-]	REAL300000549184	0	37	-2.0	-117.53	346.48	6.30	-111.23
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1F	REAL300000549185	0	35	-2.0	-114.53	326.37	4.46	-110.07
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C1C(=O)[O-]	REAL300000549186	1	38	-2.0	-102.51	347.70	5.11	-97.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=CC2=CC=CC=C21	REAL300000549187	1	41	-2.0	-118.08	363.80	6.56	-111.52
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C1	REAL300000549188	0	34	-2.0	-107.89	318.98	2.57	-105.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=CC(O)=CC=C2C=C1	REAL300000549189	0	39	-2.0	-101.60	350.96	4.24	-97.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)=C(Cl)O1	REAL300000549190	0	32	-2.0	-97.48	322.90	3.41	-94.07
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC4=CC(O)=CC=C4C=C3)C=C2)CC1	REAL300000549191	1	42	-2.0	-103.77	368.88	6.32	-97.45
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC4=CC(O)=CC=C4C=C3)C=C2C1	REAL300000549192	1	42	-2.0	-108.32	368.19	6.32	-102.00
CCC1=C(S(=O)(=O)[N-]C2=CC3=CC(O)=CC=C3C=C2)C=C(C(=O)[O-])O1	REAL300000549193	0	38	-2.0	-103.19	344.89	4.44	-98.75
O=C([O-])C1=CC=CC2=C1CCN2S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000549199	0	35	-2.0	-93.25	324.41	6.62	-86.63
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=CC=C1F	REAL300000549209	0	35	-2.0	-105.67	323.94	7.49	-98.18
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1	REAL300000549220	0	35	-2.0	-98.01	319.40	7.47	-90.54
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549226	0	35	-2.0	-102.74	319.40	7.46	-95.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=C(C(=O)[O-])C=CC=C21	REAL300000549247	0	39	-2.0	-102.40	339.66	7.34	-95.06
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1	REAL300000549248	0	39	-2.0	-99.81	350.85	8.77	-91.04
CC1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000549253	0	38	-2.0	-106.45	339.48	8.11	-98.34
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549265	0	35	-2.0	-96.24	326.27	7.77	-88.47
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=CC=C1Cl	REAL300000549266	0	35	-2.0	-102.37	331.91	7.85	-94.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1C	REAL300000549282	0	41	-2.0	-104.03	345.41	8.48	-95.55
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549286	0	35	-2.0	-95.74	317.90	7.28	-88.46
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1	REAL300000549291	0	41	-2.0	-97.01	362.96	9.05	-87.96
O=C([O-])C1=CSC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549299	0	32	-2.0	-98.55	312.58	6.50	-92.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=C(C(=O)[O-])C=CC=C21	REAL300000549302	0	38	-2.0	-111.16	336.90	8.32	-102.84
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1	REAL300000549318	0	39	-2.0	-97.88	350.46	7.75	-90.13
CN1C=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000549352	0	36	-2.0	-102.54	326.04	6.82	-95.72
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=C(C(=O)[O-])C=CC=C21	REAL300000549356	0	39	-2.0	-104.54	336.21	5.96	-98.58
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549376	0	35	-2.0	-97.77	328.50	7.15	-90.62
CC1=CC(C)=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000549379	0	41	-2.0	-102.95	343.60	8.47	-94.48
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=CS1	REAL300000549400	0	32	-2.0	-100.77	311.04	6.50	-94.27
COC1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000549404	0	39	-2.0	-110.74	346.68	7.54	-103.20
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=C(C(=O)[O-])C=CC=C21	REAL300000549410	0	44	-2.0	-102.83	365.73	9.05	-93.78
CC1=CC=C([O-])C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549418	1	36	-2.0	-99.64	310.89	6.22	-93.42
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=C(C(=O)[O-])C=CC=C21	REAL300000549419	0	41	-2.0	-111.37	351.86	9.04	-102.33
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CCC2=C(C(=O)[O-])C=CC=C21	REAL300000549421	0	42	-2.0	-103.88	362.01	8.11	-95.77
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=CC(C(=O)[O-])=C1	REAL300000549422	0	37	-3.0	-168.19	347.82	8.03	-160.16
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549424	0	42	-2.0	-104.50	356.92	9.19	-95.31
CC1=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C(C(=O)[O-])O1	REAL300000549431	0	35	-2.0	-98.66	315.72	6.37	-92.29
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549445	0	39	-2.0	-105.99	338.33	6.70	-99.29
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C(Cl)C=C1F	REAL300000549448	0	35	-2.0	-96.02	330.81	7.79	-88.23
CC1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=CC=C1OCC(=O)[O-]	REAL300000549456	0	42	-2.0	-98.13	370.56	8.45	-89.68
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=C(C(=O)[O-])C=CC=C21	REAL300000549467	0	38	-2.0	-103.52	341.76	8.33	-95.19
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1F	REAL300000549470	0	39	-2.0	-99.57	356.70	7.81	-91.76
CCOC1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000549480	0	42	-2.0	-109.05	368.54	8.45	-100.60
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)S1	REAL300000549491	1	38	-2.0	-92.94	350.53	3.94	-89.00
CC1=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C(C(=O)[O-])S1	REAL300000549506	0	35	-2.0	-107.40	330.71	7.39	-100.01
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C(Cl)=C1	REAL300000549553	0	35	-2.0	-94.46	326.25	7.76	-86.70
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1F	REAL300000549554	0	35	-2.0	-99.43	323.92	7.51	-91.92
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)S1	REAL300000549561	0	32	-2.0	-97.31	311.66	6.59	-90.72
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549563	0	35	-2.0	-96.31	325.81	7.53	-88.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1F	REAL300000549564	0	38	-2.0	-96.13	338.17	7.91	-88.22
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C(F)=C1	REAL300000549567	0	35	-2.0	-95.37	317.85	7.29	-88.08
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1Cl	REAL300000549568	0	35	-2.0	-96.17	331.89	7.87	-88.30
CC(=O)NC1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=CC=C1[O-]	REAL300000549577	1	40	-2.0	-97.20	352.69	3.83	-93.37
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=C(C(=O)[O-])C=CC=C21	REAL300000549580	0	38	-2.0	-104.39	350.46	8.72	-95.67
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=CC(F)=C1F	REAL300000549588	0	35	-2.0	-99.41	330.23	7.56	-91.85
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549589	0	37	-2.0	-94.33	347.59	8.13	-86.20
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549602	0	35	-3.0	-168.25	317.83	6.14	-162.11
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549602	1	36	-2.0	-97.55	318.98	5.42	-92.13
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1	REAL300000549605	0	38	-2.0	-96.87	341.56	8.25	-88.62
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=CC(Cl)=C1F	REAL300000549630	0	35	-2.0	-99.51	340.11	7.99	-91.52
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC2=C(C(=O)[O-])C=CC=C21	REAL300000549637	0	38	-2.0	-95.85	330.86	8.18	-87.67
CC1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=CC(C(=O)[O-])=C1F	REAL300000549640	0	38	-2.0	-104.20	344.25	8.11	-96.09
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2=C(C(=O)[O-])C=CC=C21	REAL300000549641	0	38	-2.0	-98.05	327.44	7.91	-90.14
CC1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=CC(C(=O)[O-])=C1C	REAL300000549647	0	41	-2.0	-105.12	356.90	8.66	-96.46
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=CC=C1[N+](=O)[O-]	REAL300000549650	0	37	-2.0	-111.37	345.97	8.55	-102.82
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549653	0	35	-2.0	-90.80	324.18	7.34	-83.46
CC1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C(C)=C1C(=O)[O-]	REAL300000549660	0	41	-2.0	-99.50	355.58	8.92	-90.58
CC1=CC(F)=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000549661	0	38	-2.0	-97.18	337.72	7.92	-89.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1Cl	REAL300000549662	0	38	-2.0	-96.98	345.00	8.34	-88.64
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549663	0	38	-2.0	-109.57	337.50	7.92	-101.65
CCC1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000549669	0	41	-2.0	-104.64	353.64	8.65	-95.99
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC2=C(C(=O)[O-])C=CC=C21	REAL300000549674	0	38	-2.0	-93.16	332.47	7.06	-86.10
COC1=CC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1CC(=O)[O-]	REAL300000549682	0	42	-2.0	-108.18	369.87	7.59	-100.59
COC1=CC=C([O-])C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000549684	1	37	-2.0	-98.62	318.94	4.84	-93.78
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCC2=C(C(=O)[O-])C=CC=C21	REAL300000549701	0	38	-2.0	-96.86	339.01	8.29	-88.57
CC1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=CC(C(=O)[O-])=C1Cl	REAL300000549705	0	38	-2.0	-101.31	350.63	8.42	-92.89
CCN1C=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000549709	0	39	-2.0	-103.31	347.41	7.68	-95.63
CC1=C(Cl)C=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000549785	0	38	-2.0	-99.74	353.18	8.53	-91.21
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)S1	REAL300000549791	1	35	-2.0	-92.73	332.59	3.27	-89.46
CC1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=CC=C1C(=O)[O-]	REAL300000549831	0	38	-2.0	-97.45	335.41	8.02	-89.43
O=C([O-])C1=CC=CC2=C1CCN2S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300000549866	0	36	-2.0	-91.72	328.21	6.56	-85.16
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=C(C(=O)[O-])C=CC=C21	REAL300000549879	0	38	-2.0	-103.58	331.97	7.94	-95.64
O=C([O-])C1=CC=CC2=C1CCN2S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000549881	0	37	-2.0	-104.02	344.08	9.33	-94.69
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1F	REAL300000549917	0	35	-2.0	-109.80	316.06	7.24	-102.56
CC1=C(F)C=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C1C(=O)[O-]	REAL300000549941	0	38	-2.0	-98.86	344.36	8.14	-90.72
O=C([O-])C1=CC=CC2=C1CCN2S(=O)(=O)C1=CC([O-])=CC(C(F)(F)F)=C1	REAL300000549950	1	36	-2.0	-92.26	337.12	5.82	-86.44
O=C([O-])C1=CC=CC2=C1CCN2S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000550001	0	41	-2.0	-111.39	360.44	9.58	-101.81
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000550012	0	34	-2.0	-97.75	315.64	5.60	-92.15
O=C([O-])C1=CC=CC2=C1CCN2S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000550030	0	33	-2.0	-92.87	295.87	5.61	-87.26
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2=C(C(=O)[O-])C=CC=C21	REAL300000550048	0	39	-2.0	-98.02	339.68	7.34	-90.68
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C(Cl)O1	REAL300000550053	0	32	-2.0	-93.26	310.57	6.11	-87.15
O=C([O-])C1=CC=CC2=C1CCN2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300000550062	0	33	-2.0	-91.05	322.23	6.61	-84.44
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=C1	REAL300000550189	1	38	-2.0	-92.51	347.64	4.57	-87.94
CCOC(=O)C1=CC(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)=N[N-]1	REAL300000550189	1	38	-2.0	-92.45	347.75	4.58	-87.87
O=C([O-])C1=CC=CC2=C1CCN2S(=O)(=O)C1=CC(Cl)=C([O-])C=C1Cl	REAL300000550191	0	33	-2.0	-87.38	321.37	5.68	-81.70
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)S1	REAL300000550206	1	41	-2.0	-93.56	368.39	4.81	-88.75
O=C([O-])C1=CC=CC2=C1CCN2S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000550236	0	42	-2.0	-101.72	365.54	9.35	-92.37
O=C([O-])C1=CC=CC2=C1CCN2S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000550248	0	42	-2.0	-100.04	364.85	9.35	-90.69
CCC1=C(S(=O)(=O)N2CCC3=C(C(=O)[O-])C=CC=C32)C=C(C(=O)[O-])O1	REAL300000550261	0	38	-2.0	-100.30	337.15	7.14	-93.16
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000550272	0	38	-2.0	-102.35	336.50	7.08	-95.27
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000550279	0	38	-2.0	-103.63	336.02	7.96	-95.67
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000550287	0	38	-2.0	-105.16	337.55	8.92	-96.24
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000550293	0	38	-2.0	-105.20	331.50	7.93	-97.27
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300000550314	0	42	-2.0	-128.16	360.39	8.78	-119.38
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000550315	0	42	-2.0	-105.68	369.05	10.20	-95.48
CC1=CC=C(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000550320	0	41	-2.0	-132.90	347.52	8.47	-124.43
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000550331	0	38	-2.0	-119.00	341.27	9.10	-109.90
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000550332	0	38	-2.0	-101.85	344.00	8.32	-93.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=C1C	REAL300000550348	0	44	-2.0	-128.82	360.79	9.69	-119.13
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000550351	0	38	-2.0	-118.40	338.03	8.83	-109.57
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000550356	0	44	-2.0	-105.90	381.13	10.50	-95.40
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000550363	0	35	-2.0	-105.09	327.22	7.08	-98.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300000550366	0	41	-2.0	-126.55	343.04	9.23	-117.32
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000550379	0	42	-2.0	-104.95	368.66	9.18	-95.77
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000550403	0	39	-2.0	-110.33	346.16	8.02	-102.31
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300000550406	0	42	-2.0	-127.98	352.76	7.20	-120.78
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=C1	REAL300000550423	0	38	-2.0	-114.88	343.15	7.73	-107.15
CC1=CC(C)=C(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000550426	0	44	-2.0	-127.77	359.08	9.77	-118.00
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000550442	0	35	-2.0	-118.04	328.97	7.96	-110.08
COC1=CC=C(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000550444	0	42	-2.0	-110.53	358.77	8.01	-102.52
CC1=CC=C([O-])C(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=C1	REAL300000550453	1	39	-2.0	-118.23	329.98	6.90	-111.33
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300000550455	0	44	-2.0	-123.67	366.49	9.48	-114.19
CC1=C(S(=O)(=O)N2C3=C(CC2C(=O)[O-])C(C)=CC=C3)C=C(C(=O)[O-])O1	REAL300000550461	0	38	-2.0	-116.37	334.98	7.87	-108.50
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=C1	REAL300000550469	0	42	-2.0	-111.00	358.97	8.10	-102.90
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000550487	0	41	-2.0	-115.89	348.17	9.27	-106.62
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])S1	REAL300000550505	1	41	-2.0	-111.44	360.53	4.47	-106.97
CC1=C(S(=O)(=O)N2C3=C(CC2C(=O)[O-])C(C)=CC=C3)C=C(C(=O)[O-])S1	REAL300000550518	0	38	-2.0	-121.72	337.59	8.47	-113.25
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000550560	0	38	-2.0	-102.29	341.29	9.09	-93.20
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000550561	0	38	-2.0	-105.72	336.00	7.97	-97.75
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000550565	0	35	-2.0	-112.86	326.25	7.18	-105.68
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000550567	0	38	-2.0	-101.83	340.81	8.07	-93.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=C1F	REAL300000550568	0	41	-2.0	-119.36	358.31	9.46	-109.90
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000550570	0	38	-2.0	-102.38	338.00	8.84	-93.54
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000550571	0	38	-2.0	-104.14	343.98	8.33	-95.81
CC(=O)NC1=CC(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=CC=C1[O-]	REAL300000550579	1	43	-2.0	-117.03	365.06	4.30	-112.73
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000550588	0	38	-2.0	-122.08	345.22	8.10	-113.98
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000550593	0	38	-3.0	-201.46	338.17	7.59	-193.87
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000550593	1	39	-2.0	-122.65	339.64	6.82	-115.83
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000550595	0	41	-2.0	-109.25	359.76	9.68	-99.57
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000550616	0	41	-2.0	-107.76	340.34	9.13	-98.63
CC1=CC(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000550618	0	41	-2.0	-109.99	364.42	9.28	-100.71
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300000550619	0	41	-2.0	-106.99	343.02	9.23	-97.76
CC1=CC(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000550624	0	44	-2.0	-128.65	376.39	9.80	-118.85
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000550628	0	38	-2.0	-108.89	344.30	8.88	-100.01
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000550634	0	44	-2.0	-111.88	361.92	9.85	-102.03
CC1=CC(F)=C(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000550635	0	41	-2.0	-119.46	354.05	9.37	-110.09
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=C1	REAL300000550636	0	41	-2.0	-112.71	357.58	9.46	-103.25
CCC1=CC=C(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000550640	0	44	-2.0	-106.10	365.43	9.12	-96.98
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300000550645	0	41	-2.0	-107.87	349.04	8.32	-99.55
COC1=CC=C([O-])C(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=C1	REAL300000550654	1	40	-2.0	-120.68	339.27	6.30	-114.38
CCN1C=C(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])C=C1C(=O)[O-]	REAL300000550675	0	42	-2.0	-111.18	367.57	8.86	-102.32
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])S1	REAL300000550742	1	38	-2.0	-110.89	347.36	3.86	-107.03
CC1=CC(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000550778	0	41	-2.0	-108.92	347.50	8.48	-100.44
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300000550817	0	41	-2.0	-125.20	348.52	9.19	-116.01
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=NC=C[N-]1	REAL300000550822	0	32	-2.0	-121.64	286.35	3.74	-117.90
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000550850	0	38	-2.0	-112.38	336.18	8.79	-103.59
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000550868	0	41	-2.0	-125.33	359.36	8.68	-116.65
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000550922	0	37	-2.0	-118.82	335.47	6.84	-111.98
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000550935	0	36	-2.0	-111.64	314.90	6.31	-105.33
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300000550952	0	42	-2.0	-108.40	360.37	8.79	-99.61
CC1=CC=CC2=C1CC(C(=O)[O-])N2S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000550957	0	35	-2.0	-107.93	331.60	7.72	-100.21
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=C1	REAL300000551068	1	41	-2.0	-112.35	365.55	6.04	-106.31
CCOC(=O)C1=CC(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=N[N-]1	REAL300000551068	1	41	-2.0	-112.38	365.65	6.04	-106.34
CCC1=C(S(=O)(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000551123	0	41	-2.0	-123.01	349.60	7.64	-115.37
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1C(=O)[O-]	REAL300000551133	0	41	-2.0	-101.07	355.68	8.39	-92.68
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C1C(=O)[O-]	REAL300000551139	0	41	-2.0	-109.53	355.22	9.27	-100.26
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1C(=O)[O-]	REAL300000551144	0	41	-2.0	-107.05	354.79	9.05	-98.00
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1C(=O)[O-]	REAL300000551149	0	41	-2.0	-125.00	350.68	9.24	-115.76
CC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3C(C)(C)C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000551169	0	44	-2.0	-112.26	366.70	9.77	-102.49
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1C(=O)[O-]	REAL300000551191	0	41	-2.0	-119.06	349.18	9.06	-110.00
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1C(=O)[O-]	REAL300000551198	0	38	-2.0	-117.13	345.11	8.28	-108.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2C(C)(C)C1C(=O)[O-]	REAL300000551201	0	44	-2.0	-125.12	363.40	8.99	-116.13
CN1C=C(S(=O)(=O)N2C3=CC=CC=C3C(C)(C)C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000551222	0	42	-2.0	-129.95	353.37	7.60	-122.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2C3=CC=CC=C3C(C)(C)C2C(=O)[O-])=C1	REAL300000551237	0	41	-2.0	-106.14	355.76	7.96	-98.18
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1C(=O)[O-]	REAL300000551250	0	38	-2.0	-108.65	342.33	8.29	-100.36
CC1=CC=C([O-])C(S(=O)(=O)N2C3=CC=CC=C3C(C)(C)C2C(=O)[O-])=C1	REAL300000551256	1	42	-2.0	-120.78	342.17	7.99	-112.79
CC1=C(S(=O)(=O)N2C3=CC=CC=C3C(C)(C)C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000551261	0	41	-2.0	-117.45	348.00	8.20	-109.25
CC1=C(S(=O)(=O)N2C3=CC=CC=C3C(C)(C)C2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300000551301	0	41	-2.0	-124.52	347.55	7.75	-116.77
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C1C(=O)[O-]	REAL300000551330	0	41	-2.0	-106.93	350.71	8.28	-98.65
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1C(=O)[O-]	REAL300000551332	0	38	-2.0	-106.06	338.82	7.39	-98.67
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C1C(=O)[O-]	REAL300000551334	0	41	-2.0	-122.32	351.98	8.29	-114.03
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C1C(=O)[O-]	REAL300000551336	0	41	-2.0	-103.46	350.27	9.08	-94.38
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1C(=O)[O-]	REAL300000551349	0	41	-3.0	-202.79	349.12	7.91	-194.88
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C1C(=O)[O-]	REAL300000551349	1	42	-2.0	-124.09	349.37	6.33	-117.76
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C1C(=O)[O-]	REAL300000551351	0	44	-2.0	-111.87	377.04	9.84	-102.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1C2=CC=CC=C2C(C)(C)C1C(=O)[O-]	REAL300000551365	0	44	-2.0	-116.09	362.61	9.91	-106.18
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C2=CC=CC=C2C(C)(C)C1C(=O)[O-]	REAL300000551367	0	44	-2.0	-111.52	363.52	9.00	-102.52
COC1=CC=C([O-])C(S(=O)(=O)N2C3=CC=CC=C3C(C)(C)C2C(=O)[O-])=C1	REAL300000551386	1	43	-2.0	-121.32	350.21	6.61	-114.71
CCN1C=C(S(=O)(=O)N2C3=CC=CC=C3C(C)(C)C2C(=O)[O-])C=C1C(=O)[O-]	REAL300000551404	0	45	-2.0	-121.94	378.70	9.47	-112.47
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2C3=CC=CC=C3C(C)(C)C2C(=O)[O-])S1	REAL300000551447	1	41	-2.0	-109.10	365.10	5.06	-104.04
CC1=CC(S(=O)(=O)N2C3=CC=CC=C3C(C)(C)C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000551473	0	44	-2.0	-106.11	366.69	9.78	-96.33
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=NC=C[N-]2)C1C(=O)[O-]	REAL300000551501	0	35	-2.0	-123.12	297.92	4.14	-118.98
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C1C(=O)[O-]	REAL300000551521	0	41	-2.0	-111.93	346.50	8.14	-103.79
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C1C(=O)[O-]	REAL300000551574	0	40	-2.0	-109.81	347.53	6.94	-102.87
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1C(=O)[O-]	REAL300000551584	0	39	-2.0	-113.59	327.14	7.39	-106.20
CC1(C)C2=CC=CC=C2N(S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C1C(=O)[O-]	REAL300000551605	0	38	-2.0	-108.50	341.85	7.90	-100.60
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2C3=CC=CC=C3C(C)(C)C2C(=O)[O-])=C1	REAL300000551688	1	44	-2.0	-121.06	378.08	5.57	-115.49
CCOC(=O)C1=CC(S(=O)(=O)N2C3=CC=CC=C3C(C)(C)C2C(=O)[O-])=N[N-]1	REAL300000551688	1	44	-2.0	-121.23	378.19	5.57	-115.66
CCC1=C(S(=O)(=O)N2C3=CC=CC=C3C(C)(C)C2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300000551726	0	44	-2.0	-109.14	371.03	8.79	-100.35
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Br	REAL300000551734	1	32	-2.0	-101.58	308.16	0.54	-101.04
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Br	REAL300000551735	1	31	-2.0	-97.35	304.99	1.67	-95.68
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CS2)=C1Br	REAL300000551738	1	26	-2.0	-104.49	283.84	1.71	-102.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)S1	REAL300000551743	1	29	-2.0	-105.55	305.73	2.51	-103.04
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1Br	REAL300000551746	1	29	-2.0	-110.72	297.40	2.77	-107.95
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)C=N1	REAL300000551747	1	29	-2.0	-103.38	296.46	0.41	-102.97
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CNN=C2)=C1Br	REAL300000551748	1	26	-2.0	-100.86	273.49	-0.90	-101.76
CN1C=NC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)=C1	REAL300000551750	0	29	-2.0	-113.75	295.92	1.80	-111.95
CC1=NC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)=CN1C	REAL300000551752	0	32	-2.0	-116.62	315.60	1.59	-115.03
CCN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)C=N1	REAL300000551753	1	32	-2.0	-103.59	317.99	1.27	-102.32
CC1=NNC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Br	REAL300000551754	1	29	-2.0	-101.75	292.29	-0.24	-101.99
CN1C=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)=N1	REAL300000551757	0	29	-2.0	-112.48	296.92	0.24	-112.24
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Br	REAL300000551758	1	29	-2.0	-98.70	292.14	0.34	-98.36
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CNC=N2)=C1Br	REAL300000551763	0	26	-2.0	-111.57	273.21	0.11	-111.46
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)SC=C1	REAL300000551765	1	29	-2.0	-105.16	299.63	2.52	-102.64
CC1=NC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)S1	REAL300000551775	0	28	-2.0	-102.42	300.43	0.54	-101.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)O1	REAL300000551781	0	29	-2.0	-105.49	296.50	1.53	-103.96
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CO2)=C1Br	REAL300000551783	0	26	-2.0	-104.54	274.59	0.70	-103.84
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Br	REAL300000551784	1	28	-2.0	-93.95	285.32	-0.83	-94.78
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)C(N)=NO1	REAL300000551788	0	30	-2.0	-97.11	299.44	0.08	-97.03
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)O1	REAL300000551794	0	27	-2.0	-98.46	295.83	1.25	-97.21
CC1=CSC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)=C1	REAL300000551797	1	29	-2.0	-104.57	305.47	2.37	-102.20
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1Br	REAL300000551798	1	26	-2.0	-102.48	290.19	-0.49	-102.97
CC1=NSC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)=C1	REAL300000551799	0	28	-2.0	-99.21	300.40	1.01	-98.20
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1Br	REAL300000551801	0	26	-2.0	-106.20	290.19	1.75	-104.45
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=NC=CN2)=C1Br	REAL300000551804	0	26	-2.0	-108.36	273.53	-0.71	-109.07
O=C([O-])C1=CC(O)=CC(NS(=O)(=O)C2=NC=C[N-]2)=C1Br	REAL300000551804	1	26	-2.0	-92.70	270.83	-1.24	-93.94
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Br	REAL300000551809	1	32	-2.0	-104.53	315.29	1.07	-103.46
CC1=NOC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Br	REAL300000551815	1	28	-2.0	-97.12	288.86	0.66	-96.46
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1Br	REAL300000551816	1	28	-2.0	-108.82	292.41	0.89	-107.93
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=NS2)=C1Br	REAL300000551824	0	25	-2.0	-98.96	278.65	0.41	-98.55
CN1C=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)N=N1	REAL300000551825	0	28	-2.0	-108.00	290.70	-0.97	-108.97
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(O)=CC(C(=O)[O-])=C1Br	REAL300000551826	1	31	-2.0	-94.45	307.13	0.05	-94.40
CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)N=CN1	REAL300000551827	0	29	-2.0	-113.12	291.02	0.81	-112.31
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)=C1	REAL300000551829	1	32	-2.0	-99.30	313.07	0.97	-98.33
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)O1	REAL300000551831	0	32	-2.0	-105.40	317.99	2.31	-103.09
CCN1N=CC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)=N1	REAL300000551832	0	31	-2.0	-103.76	312.62	-0.43	-104.19
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1Br	REAL300000551833	0	26	-2.0	-99.97	291.65	1.32	-98.65
CC1=COC(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)=C1	REAL300000551834	0	29	-2.0	-104.74	296.49	1.38	-103.36
N#CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)OC=C1	REAL300000551835	0	27	-2.0	-104.77	296.06	1.16	-103.61
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1Br	REAL300000551836	1	26	-2.0	-102.49	290.66	1.21	-101.28
N#CC1=C(S(=O)(=O)[N-]C2=CC(O)=CC(C(=O)[O-])=C2Br)C=CO1	REAL300000551837	1	27	-2.0	-106.40	294.86	1.11	-105.29
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CSN=C2)=C1Br	REAL300000551839	1	25	-2.0	-97.21	277.56	0.31	-96.90
O=C([O-])C1=CC(O)=CC([N-]S(=O)(=O)C2=CN=CS2)=C1Br	REAL300000551840	0	25	-2.0	-101.25	278.50	-0.18	-101.43
CN(C1=CN(CC2=CC=CC=C2)N=N1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000551858	0	41	-2.0	-121.26	366.34	6.86	-114.40
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300000551873	0	38	-2.0	-93.46	339.08	7.17	-86.29
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000551880	0	38	-2.0	-97.91	338.58	8.05	-89.86
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000551888	0	38	-2.0	-97.94	335.31	8.29	-89.65
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000551894	0	38	-2.0	-116.91	335.97	8.30	-108.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2C[C@@H]1CC(=O)[O-]	REAL300000551915	0	42	-2.0	-121.22	359.69	7.90	-113.32
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C1	REAL300000551916	0	42	-2.0	-100.32	366.78	9.58	-90.74
CC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300000551921	0	41	-2.0	-100.46	352.20	8.86	-91.60
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000551932	0	38	-2.0	-132.30	324.04	8.59	-123.71
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000551933	0	38	-2.0	-95.77	346.56	8.41	-87.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])=C1C	REAL300000551949	0	44	-2.0	-102.23	361.58	9.35	-92.88
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000551952	0	38	-2.0	-111.24	337.79	7.99	-103.25
O=C([O-])CCC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C1	REAL300000551957	0	44	-2.0	-97.53	378.95	9.86	-87.67
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000551964	0	35	-2.0	-108.50	322.33	8.20	-100.30
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2C[C@@H]1CC(=O)[O-]	REAL300000551967	0	41	-2.0	-118.48	345.40	9.92	-108.56
O=C([O-])COC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C1	REAL300000551980	0	42	-2.0	-97.65	366.44	8.55	-89.10
CN1C=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300000552004	0	39	-2.0	-118.39	342.70	7.42	-110.97
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2C[C@@H]1CC(=O)[O-]	REAL300000552007	0	42	-2.0	-102.93	357.50	6.83	-96.10
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])=C1	REAL300000552024	0	38	-2.0	-102.80	346.04	8.02	-94.78
CC1=CC(C)=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300000552027	0	44	-2.0	-103.80	368.25	9.43	-94.37
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000552043	0	35	-2.0	-118.02	326.83	7.08	-110.94
COC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300000552045	0	42	-2.0	-103.80	361.30	8.09	-95.71
CC1=CC=C([O-])C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])=C1	REAL300000552054	1	39	-2.0	-104.52	330.64	6.77	-97.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2C[C@@H]1CC(=O)[O-]	REAL300000552056	0	44	-2.0	-112.64	371.43	9.78	-102.86
CC1=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C(C(=O)[O-])O1	REAL300000552062	0	38	-2.0	-113.47	333.91	6.85	-106.62
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])=C1	REAL300000552070	0	42	-2.0	-108.40	345.48	7.40	-101.00
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2C[C@@H]1CC(=O)[O-]	REAL300000552088	0	41	-2.0	-94.51	349.43	8.80	-85.71
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])S1	REAL300000552106	1	41	-2.0	-99.01	369.09	4.75	-94.26
CC1=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C(C(=O)[O-])S1	REAL300000552119	0	38	-2.0	-117.42	335.85	7.49	-109.93
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000552161	0	38	-2.0	-97.45	343.24	8.64	-88.81
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000552162	0	38	-2.0	-99.52	338.81	8.08	-91.44
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000552166	0	35	-2.0	-97.55	328.77	7.25	-90.30
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000552168	0	38	-2.0	-94.10	342.35	8.38	-85.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])=C1F	REAL300000552169	0	41	-2.0	-113.00	358.00	8.61	-104.39
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000552171	0	38	-2.0	-99.07	339.41	8.32	-90.75
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000552172	0	38	-2.0	-97.48	346.77	8.44	-89.04
CC(=O)NC1=CC(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])=CC=C1[O-]	REAL300000552180	1	43	-2.0	-104.90	368.74	4.68	-100.22
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000552189	0	38	-2.0	-94.01	346.78	8.41	-85.60
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000552194	0	38	-3.0	-192.13	337.64	6.72	-185.41
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000552194	1	39	-2.0	-116.26	339.07	5.92	-110.34
O=C([O-])CC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C1	REAL300000552196	0	41	-2.0	-99.62	357.55	9.06	-90.56
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1C2=CC=CC=C2C[C@@H]1CC(=O)[O-]	REAL300000552217	0	41	-2.0	-112.03	338.91	8.66	-103.37
CC1=CC(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300000552219	0	41	-2.0	-99.92	360.75	8.95	-90.97
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C2=CC=CC=C2C[C@@H]1CC(=O)[O-]	REAL300000552220	0	41	-2.0	-96.77	348.68	8.78	-87.99
CC1=CC(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300000552225	0	44	-2.0	-102.76	373.34	9.53	-93.23
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000552229	0	38	-2.0	-103.64	343.98	8.04	-95.60
CC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C(C)=C1C(=O)[O-]	REAL300000552235	0	44	-2.0	-112.71	357.01	9.22	-103.49
CC1=CC(F)=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300000552236	0	41	-2.0	-112.83	353.71	8.53	-104.30
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])=C1	REAL300000552237	0	41	-2.0	-104.24	357.31	8.60	-95.64
CCC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300000552241	0	44	-2.0	-98.85	367.95	9.21	-89.64
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2C[C@@H]1CC(=O)[O-]	REAL300000552246	0	41	-2.0	-92.01	349.61	7.92	-84.09
COC1=CC=C([O-])C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])=C1	REAL300000552255	1	40	-2.0	-105.69	338.67	5.38	-100.31
CCN1C=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300000552276	0	42	-2.0	-113.68	364.88	8.56	-105.12
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])S1	REAL300000552343	1	38	-2.0	-112.28	340.57	4.88	-107.40
CC1=CC(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])=CC=C1C(=O)[O-]	REAL300000552379	0	41	-2.0	-97.53	352.10	8.87	-88.66
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1C2=CC=CC=C2C[C@@H]1CC(=O)[O-]	REAL300000552418	0	41	-2.0	-100.10	349.23	8.85	-91.25
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=NC=C[N-]1	REAL300000552423	0	32	-2.0	-103.27	286.29	3.88	-99.39
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000552451	0	38	-2.0	-103.84	335.90	7.95	-95.89
CC1=C(F)C=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300000552469	0	41	-2.0	-95.30	361.20	8.98	-86.32
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000552523	0	37	-2.0	-109.71	332.90	6.46	-103.25
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300000552536	0	36	-2.0	-111.65	317.61	6.44	-105.21
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C2=CC=CC=C2C[C@@H]1CC(=O)[O-]	REAL300000552553	0	42	-2.0	-99.05	361.44	8.18	-90.87
O=C([O-])C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000552558	0	35	-2.0	-104.80	331.43	6.85	-97.95
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])=C1	REAL300000552669	1	41	-2.0	-105.29	367.17	5.35	-99.94
CCOC(=O)C1=CC(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])=N[N-]1	REAL300000552669	1	41	-2.0	-105.16	367.21	5.34	-99.82
CCC1=C(S(=O)(=O)N2C3=CC=CC=C3C[C@@H]2CC(=O)[O-])C=C(C(=O)[O-])O1	REAL300000552724	0	41	-2.0	-97.08	352.33	7.89	-89.19
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000552730	1	38	-2.0	-105.71	353.37	7.70	-98.01
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000552731	1	38	-2.0	-95.70	348.81	7.67	-88.03
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000552732	1	38	-2.0	-108.32	348.83	7.67	-100.65
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000552733	0	42	-2.0	-113.39	376.97	7.46	-105.93
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000552734	1	42	-2.0	-95.20	380.28	8.96	-86.24
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000552735	1	41	-2.0	-109.51	364.85	8.20	-101.31
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000552736	0	38	-2.0	-103.48	361.90	8.24	-95.24
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000552737	1	38	-2.0	-104.13	361.35	8.06	-96.07
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000552738	1	44	-2.0	-110.78	381.51	9.02	-101.76
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000552739	0	38	-2.0	-105.23	354.31	7.73	-97.50
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000552740	1	44	-2.0	-94.43	392.40	9.26	-85.17
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000552741	0	35	-2.0	-102.50	342.01	6.68	-95.82
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000552742	1	41	-2.0	-108.62	364.26	8.45	-100.17
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000552744	0	39	-2.0	-106.70	355.47	7.01	-99.69
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000552746	0	38	-2.0	-98.67	357.95	7.35	-91.32
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000552748	0	35	-2.0	-104.03	340.48	6.70	-97.33
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000552750	1	47	-2.0	-110.89	402.73	9.67	-101.22
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=C1	REAL300000552751	1	44	-2.0	-106.84	378.97	9.39	-97.45
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000552752	0	45	-2.0	-114.43	399.26	8.23	-106.20
CCCSC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000552753	0	41	-2.0	-108.11	383.76	8.10	-100.01
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000552753	1	40	-3.0	-184.15	377.23	8.23	-175.92
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000552754	1	45	-2.0	-112.87	393.07	9.56	-103.31
CCCSC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000552755	0	38	-2.0	-101.66	351.84	6.81	-94.85
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000552756	0	42	-2.0	-109.50	377.82	6.75	-102.75
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000552758	1	41	-2.0	-99.20	369.54	8.48	-90.72
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000552759	1	42	-2.0	-93.30	386.12	8.01	-85.29
CCCSC1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000552761	0	38	-2.0	-105.09	357.43	7.56	-97.53
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000552762	0	38	-2.0	-93.32	361.88	8.23	-85.09
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000552763	1	38	-2.0	-95.20	353.35	7.71	-87.49
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000552764	0	35	-2.0	-97.42	341.10	6.80	-90.62
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000552765	1	38	-2.0	-99.08	355.24	7.72	-91.36
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000552766	0	41	-2.0	-106.66	374.59	8.37	-98.29
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000552767	0	38	-2.0	-95.23	354.29	7.74	-87.49
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000552768	1	38	-2.0	-93.25	361.33	8.07	-85.18
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000552769	1	41	-2.0	-100.86	378.27	8.87	-91.99
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000552770	1	38	-2.0	-97.18	359.65	7.76	-89.42
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000552771	0	40	-2.0	-93.17	377.03	8.33	-84.84
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000552772	0	39	-2.0	-107.32	358.54	5.38	-101.94
CCCSC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000552772	1	39	-2.0	-105.90	357.74	6.17	-99.73
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000552773	1	41	-2.0	-98.96	371.00	8.45	-90.51
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000552774	1	41	-2.0	-104.94	358.90	8.30	-96.64
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000552775	1	41	-2.0	-107.05	373.66	8.32	-98.73
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000552777	1	44	-2.0	-112.89	385.63	8.84	-104.05
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000552778	0	40	-2.0	-106.45	375.38	8.76	-97.69
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000552779	0	38	-2.0	-96.84	360.59	7.79	-89.05
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000552781	0	41	-2.0	-107.51	374.15	8.36	-99.15
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000552782	0	41	-2.0	-105.25	380.59	8.80	-96.45
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000552783	0	41	-2.0	-113.83	373.87	8.36	-105.47
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=C1	REAL300000552784	1	44	-2.0	-110.18	382.77	8.85	-101.33
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000552786	1	41	-2.0	-97.89	375.62	8.81	-89.08
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000552787	1	41	-2.0	-105.94	380.05	8.62	-97.32
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=C1	REAL300000552788	0	42	-2.0	-108.02	376.96	7.88	-100.14
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000552789	1	41	-2.0	-102.77	382.57	8.73	-94.04
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000552790	1	41	-2.0	-95.85	364.84	8.21	-87.64
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000552791	1	41	-2.0	-105.89	368.79	8.49	-97.40
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000552792	0	40	-2.0	-116.21	372.58	9.53	-106.68
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000552793	0	38	-2.0	-113.06	352.45	7.69	-105.37
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000552794	1	41	-2.0	-100.99	373.77	8.34	-92.65
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000552795	0	37	-2.0	-106.03	345.05	5.79	-100.24
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000552796	0	42	-2.0	-99.97	377.03	7.47	-92.50
CCCSC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000552797	0	35	-2.0	-95.68	348.97	6.65	-89.03
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000552798	1	45	-2.0	-101.93	394.96	9.55	-92.38
CCCSC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000552799	1	45	-2.0	-106.54	394.27	9.55	-96.99
CCCSC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300000552800	0	41	-2.0	-101.47	370.96	7.66	-93.81
CC(C)C1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000552805	1	40	-2.0	-101.38	362.83	8.05	-93.33
CC(C)C1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000552806	0	37	-2.0	-95.80	356.02	7.06	-88.74
CC(C)C1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000552807	1	41	-2.0	-99.75	369.48	7.39	-92.36
CC(C)C1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000552808	0	37	-2.0	-97.23	354.48	7.08	-90.15
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000552809	0	40	-2.0	-95.78	365.83	7.19	-88.59
CC(C)C1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000552810	0	37	-2.0	-90.82	355.09	7.17	-83.65
CC(C)C1=CC(C(F)(F)F)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000552811	0	39	-2.0	-99.12	359.04	6.16	-92.96
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(C)=CC(=O)N2	REAL300000552814	1	40	-2.0	-104.14	356.52	5.42	-98.72
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(C)=CC(=O)N2	REAL300000552815	1	44	-2.0	-91.99	386.63	6.66	-85.33
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(C)=CC(=O)N2	REAL300000552817	0	40	-2.0	-101.87	360.65	5.43	-96.44
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(C)=CC(=O)N2	REAL300000552818	0	37	-2.0	-98.79	349.70	4.45	-94.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1C)NC(=O)C=C2C	REAL300000552819	1	43	-2.0	-105.91	370.61	6.15	-99.76
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)C(C)=CC(=O)N2	REAL300000552820	1	41	-2.0	-102.78	361.83	4.71	-98.07
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2C)NC(=O)C=C3C)=C1	REAL300000552821	0	40	-2.0	-95.27	364.29	5.05	-90.22
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(C)=CC(=O)N2	REAL300000552822	0	37	-2.0	-100.07	348.17	4.46	-95.61
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)NC(=O)C=C3C)C=C(C(=O)[O-])O1	REAL300000552823	0	40	-2.0	-99.27	358.19	4.51	-94.76
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)NC(=O)C=C3C)C=C(C(=O)[O-])S1	REAL300000552824	1	40	-2.0	-102.33	364.88	5.25	-97.08
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(C)=CC(=O)N2	REAL300000552825	1	40	-2.0	-92.18	359.69	5.41	-86.77
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(C)=CC(=O)N2	REAL300000552826	0	37	-2.0	-93.86	348.77	4.55	-89.31
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(C)=CC(=O)N2	REAL300000552827	1	40	-2.0	-95.27	362.92	5.49	-89.78
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(C)=CC(=O)N2	REAL300000552828	0	40	-2.0	-91.53	361.98	5.50	-86.03
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C(C)=CC(=O)N2	REAL300000552829	0	41	-2.0	-105.09	364.88	3.09	-102.00
CC1=CC2=C(C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(C)=CC(=O)N2	REAL300000552829	1	41	-2.0	-105.80	363.64	3.98	-101.82
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(C)=CC(=O)N2	REAL300000552830	1	43	-2.0	-95.91	377.37	6.15	-89.76
CCN1C=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)NC(=O)C=C3C)C=C1C(=O)[O-]	REAL300000552833	1	44	-2.0	-104.01	383.21	5.59	-98.42
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(C)=CC(=O)N2	REAL300000552835	0	40	-2.0	-107.70	358.82	5.39	-102.31
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(C)=CC(=O)N2	REAL300000552836	0	39	-2.0	-102.07	351.39	3.50	-98.57
CC1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(C)=CC(=O)N2	REAL300000552837	0	37	-2.0	-92.96	355.29	4.34	-88.62
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2C)NC(=O)C=C3C)C=C(C(=O)[O-])O1	REAL300000552838	0	43	-2.0	-99.18	377.30	5.36	-93.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)=CC=C1F	REAL300000552839	1	41	-2.0	-110.37	372.89	6.05	-104.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)C=C1	REAL300000552840	1	41	-2.0	-100.18	368.37	6.03	-94.15
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)=C1	REAL300000552841	1	41	-2.0	-112.55	368.36	6.02	-106.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)C=C1C(=O)[O-]	REAL300000552842	1	44	-2.0	-115.03	388.43	6.67	-108.36
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)=C1	REAL300000552843	0	41	-2.0	-109.62	373.84	6.09	-103.53
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)=C1	REAL300000552844	0	38	-2.0	-106.79	361.55	5.04	-101.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(P2(=O)CCCC2)=C1	REAL300000552845	1	44	-2.0	-113.02	383.80	6.81	-106.21
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)C=C1C(=O)[O-]	REAL300000552846	0	42	-2.0	-110.90	375.00	5.37	-105.53
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)=C1	REAL300000552847	0	41	-2.0	-103.18	377.48	5.70	-97.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)=CS1	REAL300000552848	0	38	-2.0	-108.64	360.01	5.06	-103.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)C=C(C(=O)[O-])O1	REAL300000552849	0	41	-2.0	-106.12	371.37	5.16	-100.96
CC1=C(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)C=C(C(=O)[O-])S1	REAL300000552850	0	41	-2.0	-109.46	376.96	5.91	-103.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)C=C1F	REAL300000552851	1	41	-2.0	-99.63	372.92	6.06	-93.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)S1	REAL300000552852	0	38	-2.0	-101.97	360.63	5.15	-96.82
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)=C1	REAL300000552853	1	41	-2.0	-103.34	374.79	6.09	-97.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)C(F)=C1	REAL300000552854	0	41	-2.0	-99.35	373.35	6.08	-93.27
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)=C1	REAL300000552855	0	42	-2.0	-111.69	378.08	3.74	-107.95
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(P3(=O)CCCC3)=C2)=C1	REAL300000552855	1	42	-2.0	-109.71	377.27	4.52	-105.19
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)C=C1	REAL300000552856	1	44	-2.0	-105.06	390.56	6.81	-98.25
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(P2(=O)CCCC2)=C1	REAL300000552857	1	44	-2.0	-109.60	377.91	6.69	-102.91
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(P2(=O)CCCC2)=C1	REAL300000552858	1	44	-2.0	-100.20	383.78	6.80	-93.40
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)C=C1C(=O)[O-]	REAL300000552859	0	45	-2.0	-112.19	396.39	6.23	-105.96
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)=CC=C1C(=O)[O-]	REAL300000552860	1	44	-2.0	-100.29	384.36	6.57	-93.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)=C1F	REAL300000552861	0	41	-2.0	-117.67	372.03	6.06	-111.61
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)=C1	REAL300000552862	0	40	-2.0	-109.44	365.35	4.08	-105.36
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(P3(=O)CCCC3)=C2)C=C(C(=O)[O-])O1	REAL300000552863	0	44	-2.0	-105.81	390.49	6.01	-99.80
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1	REAL300000552864	1	38	-2.0	-90.67	356.32	4.53	-86.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC=C1F	REAL300000552865	1	31	-2.0	-107.23	304.38	5.97	-101.26
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000552866	0	39	-2.0	-104.68	357.47	6.97	-97.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1	REAL300000552867	1	31	-2.0	-97.29	299.84	5.95	-91.34
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552868	1	31	-2.0	-109.85	299.84	5.94	-103.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000552869	0	35	-2.0	-111.52	325.99	5.67	-105.85
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1	REAL300000552870	1	35	-2.0	-96.80	331.31	7.23	-89.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000552871	1	34	-2.0	-111.06	315.85	6.47	-104.59
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552872	0	31	-2.0	-101.55	310.92	6.45	-95.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC=C1Cl	REAL300000552873	1	31	-2.0	-105.65	312.35	6.33	-99.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C(Cl)C=C1Cl	REAL300000552874	0	31	-2.0	-100.33	325.40	6.88	-93.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1C	REAL300000552875	1	37	-2.0	-112.18	332.51	7.28	-104.90
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552876	0	31	-2.0	-103.17	303.33	5.94	-97.23
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1	REAL300000552877	1	37	-2.0	-95.94	343.42	7.52	-88.42
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552878	0	28	-2.0	-104.35	293.02	4.95	-99.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000552879	1	34	-2.0	-107.03	313.28	6.66	-100.37
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000552881	0	32	-2.0	-104.62	304.50	5.22	-99.40
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552883	0	31	-2.0	-96.14	306.96	5.55	-90.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CS1	REAL300000552885	0	28	-2.0	-102.07	289.51	4.91	-97.16
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000552886	1	39	-2.0	-105.51	356.15	5.69	-99.82
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552888	1	41	-2.0	-113.98	355.08	8.57	-105.41
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000552889	1	40	-2.0	-109.21	351.75	7.87	-101.34
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000552890	1	37	-2.0	-105.39	328.02	7.59	-97.80
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000552891	0	38	-2.0	-110.98	348.28	6.43	-104.55
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C(F)F)=C2)=C1	REAL300000552892	0	34	-2.0	-113.45	332.97	6.30	-107.15
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552892	1	33	-3.0	-180.66	326.26	6.44	-174.22
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552893	1	38	-2.0	-114.23	344.10	7.84	-106.39
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000552894	0	31	-2.0	-103.29	302.84	5.07	-98.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC2=C1OCCO2	REAL300000552895	1	37	-2.0	-111.03	340.03	5.65	-105.38
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552896	0	35	-2.0	-111.08	328.82	5.03	-106.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC(Cl)=C1Cl	REAL300000552898	1	31	-2.0	-95.82	325.53	6.72	-89.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C(Cl)C=C1F	REAL300000552899	0	31	-2.0	-98.32	315.43	6.47	-91.85
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1Cl	REAL300000552900	1	35	-2.0	-93.99	346.94	6.75	-87.24
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000552902	1	34	-2.0	-100.61	320.54	6.75	-93.86
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1F	REAL300000552904	1	35	-2.0	-94.94	337.14	6.28	-88.66
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000552906	1	31	-2.0	-106.50	308.44	5.83	-100.67
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552907	0	31	-2.0	-98.64	328.05	6.96	-91.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C(Cl)=C1	REAL300000552908	0	31	-2.0	-94.72	312.89	6.50	-88.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1F	REAL300000552909	1	31	-2.0	-96.80	304.36	5.98	-90.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)S1	REAL300000552910	0	28	-2.0	-99.20	292.10	5.07	-94.13
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552911	1	31	-2.0	-97.07	304.26	5.94	-91.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1F	REAL300000552912	0	34	-2.0	-108.16	325.60	6.63	-101.53
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000552913	0	35	-2.0	-95.57	338.15	6.49	-89.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C(F)=C1	REAL300000552914	0	31	-2.0	-96.88	305.30	6.01	-90.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1Cl	REAL300000552915	1	31	-2.0	-94.89	312.33	6.34	-88.55
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000552916	1	34	-2.0	-102.24	329.28	7.13	-95.11
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1	REAL300000552917	1	39	-2.0	-93.50	363.58	7.35	-86.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC(F)=C1F	REAL300000552918	1	31	-2.0	-95.24	308.68	5.97	-89.27
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552919	0	33	-2.0	-91.18	326.04	6.53	-84.65
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552920	0	32	-2.0	-105.76	307.57	3.59	-102.17
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(F)F)=C2)=C1	REAL300000552920	1	32	-2.0	-107.94	308.64	4.52	-103.42
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1	REAL300000552921	1	34	-2.0	-100.61	322.02	6.71	-93.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC(Cl)=C1F	REAL300000552922	1	31	-2.0	-96.77	318.56	6.41	-90.36
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000552923	1	34	-2.0	-101.62	307.92	6.51	-95.11
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000552924	1	34	-2.0	-104.10	322.68	6.53	-97.57
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000552926	1	37	-2.0	-108.30	330.73	6.93	-101.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC=C1[N+](=O)[O-]	REAL300000552927	0	33	-2.0	-108.12	326.41	7.03	-101.09
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552928	0	31	-2.0	-98.45	311.59	6.06	-92.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000552930	0	34	-2.0	-105.46	323.16	6.56	-98.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1Cl	REAL300000552931	0	34	-2.0	-106.50	331.60	7.07	-99.43
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552932	0	34	-2.0	-115.54	324.87	6.63	-108.91
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000552933	1	37	-2.0	-111.79	334.12	7.12	-104.67
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000552935	1	34	-2.0	-99.62	326.10	7.11	-92.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(F)(F)F	REAL300000552936	1	34	-2.0	-93.77	329.96	6.74	-87.03
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000552937	1	34	-2.0	-102.86	329.07	6.84	-96.02
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000552938	0	35	-2.0	-105.92	325.87	6.10	-99.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C(F)C(Cl)=C1F	REAL300000552940	0	31	-2.0	-93.59	323.45	6.43	-87.16
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000552941	1	34	-2.0	-99.88	331.60	6.94	-92.94
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000552942	0	40	-2.0	-103.27	347.29	8.01	-95.26
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000552943	0	35	-2.0	-107.12	338.18	6.50	-100.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000552944	1	34	-2.0	-97.48	315.84	6.48	-91.00
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C([N+](=O)[O-])=C1	REAL300000552945	0	36	-2.0	-103.29	343.10	8.13	-95.16
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1[N+](=O)[O-]	REAL300000552947	0	33	-2.0	-112.32	321.57	7.73	-104.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1F	REAL300000552948	0	31	-2.0	-109.35	301.51	5.91	-103.44
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C1C(=O)[O-]	REAL300000552949	1	34	-2.0	-98.03	322.80	6.55	-91.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=CC2=CC=CC=C21	REAL300000552950	1	37	-2.0	-118.31	340.88	8.06	-110.25
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C1	REAL300000552951	0	30	-2.0	-107.69	296.06	4.07	-103.62
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(F)F)=C1	REAL300000552952	0	35	-2.0	-101.55	328.03	5.74	-95.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)=C(Cl)O1	REAL300000552953	0	28	-2.0	-97.43	299.98	4.92	-92.51
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(F)F)=C3)C=C2)CC1	REAL300000552954	1	38	-2.0	-100.25	343.97	7.75	-92.50
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(F)F)=C3)C=C2C1	REAL300000552955	1	38	-2.0	-104.00	343.31	7.75	-96.25
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000552956	0	34	-2.0	-102.98	321.97	5.92	-97.06
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(OC)=C1F	REAL300000552958	1	40	-2.0	-99.81	370.98	5.65	-94.16
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(OC)=C1F	REAL300000552961	1	36	-2.0	-105.76	339.50	4.37	-101.39
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1F	REAL300000552964	1	32	-2.0	-96.49	324.43	5.14	-91.35
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1F	REAL300000552967	1	32	-2.0	-97.83	316.84	4.63	-93.20
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1F	REAL300000552969	0	29	-2.0	-95.77	304.55	3.58	-92.19
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1F	REAL300000552974	1	32	-2.0	-92.43	320.47	4.25	-88.18
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(OC)=C1F	REAL300000552981	1	39	-2.0	-107.19	361.79	5.13	-102.06
COC1=C(F)C=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1F	REAL300000552982	0	35	-2.0	-107.13	339.87	5.06	-102.07
COC1=C(F)C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1F	REAL300000552984	1	32	-2.0	-94.94	314.37	3.70	-91.24
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1F	REAL300000552985	1	36	-2.0	-103.11	340.32	3.66	-99.45
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1F	REAL300000552995	1	29	-2.0	-91.30	303.62	3.70	-87.60
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1F	REAL300000552997	1	35	-2.0	-98.82	337.11	5.26	-93.56
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1F	REAL300000552998	1	32	-2.0	-89.31	316.82	4.64	-84.67
COC1=C(F)C=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1F	REAL300000553004	0	33	-2.0	-99.76	319.33	3.12	-96.64
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1F	REAL300000553012	1	32	-2.0	-89.80	323.10	4.69	-85.11
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1F	REAL300000553014	1	35	-2.0	-99.69	336.68	5.27	-94.42
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1F	REAL300000553015	1	35	-2.0	-97.76	343.14	5.71	-92.05
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1F	REAL300000553016	1	35	-2.0	-107.42	336.37	5.26	-102.16
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1F	REAL300000553026	0	34	-2.0	-110.14	335.09	6.42	-103.72
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1F	REAL300000553027	1	32	-2.0	-106.69	314.99	4.59	-102.10
COC1=C(F)C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1F	REAL300000553030	0	31	-2.0	-99.10	307.57	2.68	-96.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(OC)=C1F	REAL300000553031	1	36	-2.0	-93.52	339.56	4.36	-89.16
COC1=C(F)C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1F	REAL300000553032	1	29	-2.0	-89.40	311.46	3.54	-85.86
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(OC)=C2F)C=C(C(=O)[O-])O1	REAL300000553035	1	35	-2.0	-94.74	333.49	4.55	-90.19
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=CC=C2C1=O	REAL300000553036	1	36	-2.0	-111.75	336.55	5.70	-106.05
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C2C1=O	REAL300000553037	1	36	-2.0	-101.58	331.66	5.70	-95.88
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C2C1=O	REAL300000553038	1	36	-2.0	-113.96	331.67	5.69	-108.27
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)C=NC2=C1	REAL300000553039	0	40	-2.0	-119.46	359.82	5.49	-113.97
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=CC=C2C1=O	REAL300000553040	1	40	-2.0	-101.27	363.13	6.99	-94.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)C=C1C(=O)[O-]	REAL300000553041	1	39	-2.0	-116.41	351.74	6.34	-110.07
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=CC=C2C1=O	REAL300000553042	0	36	-2.0	-109.64	344.74	6.26	-103.38
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C2C1=O	REAL300000553043	1	36	-2.0	-110.11	344.53	6.06	-104.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)=C1C	REAL300000553044	1	42	-2.0	-117.08	364.35	7.05	-110.03
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=CC=C2C1=O	REAL300000553045	0	36	-2.0	-111.23	337.15	5.75	-105.48
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=CC=C2C1=O	REAL300000553046	1	42	-2.0	-100.55	375.24	7.28	-93.27
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C2C1=O	REAL300000553047	0	33	-2.0	-108.15	324.86	4.73	-103.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)C=NC2=C1	REAL300000553048	1	39	-2.0	-115.03	347.11	6.48	-108.55
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=CC=C2C1=O	REAL300000553049	1	40	-2.0	-99.90	362.76	5.98	-93.92
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)C=C1C(=O)[O-]	REAL300000553050	0	37	-2.0	-112.55	338.66	5.02	-107.53
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)C=NC2=C1	REAL300000553051	1	40	-2.0	-115.45	355.88	4.51	-110.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)=C1	REAL300000553052	0	36	-2.0	-104.33	340.80	5.38	-98.95
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)C=C1C(=O)[O-]	REAL300000553053	1	42	-2.0	-116.62	362.74	7.04	-109.58
CN1C=NC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C2C1=O	REAL300000553054	0	33	-2.0	-109.64	323.33	4.74	-104.90
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)C=C1C(=O)[O-]	REAL300000553055	1	40	-2.0	-119.82	358.95	5.76	-114.06
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)C=NC2=C1	REAL300000553056	1	42	-2.0	-113.51	361.83	7.43	-106.08
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=CC=C2C1=O	REAL300000553057	1	43	-2.0	-119.28	376.28	7.57	-111.71
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)C=C(C(=O)[O-])O1	REAL300000553058	0	36	-2.0	-107.81	334.68	4.85	-102.96
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)=C1	REAL300000553059	0	40	-2.0	-115.02	360.66	4.78	-110.24
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)C=NC2=C1	REAL300000553060	0	39	-2.0	-105.48	352.38	6.52	-98.96
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)C=C(C(=O)[O-])S1	REAL300000553061	0	36	-2.0	-111.39	340.27	5.60	-105.79
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=CC=C2C1=O	REAL300000553062	0	36	-2.0	-99.19	344.72	6.25	-92.94
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2C1=O	REAL300000553063	1	36	-2.0	-101.35	336.54	5.72	-95.63
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C2C1=O	REAL300000553064	0	33	-2.0	-103.12	323.94	4.82	-98.30
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=CC=C2C1=O	REAL300000553065	0	36	-2.0	-104.76	338.08	5.76	-99.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)=C1F	REAL300000553066	0	39	-2.0	-112.48	357.45	6.39	-106.09
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=CC=C2C1=O	REAL300000553067	0	36	-2.0	-100.91	337.13	5.76	-95.15
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C2C1=O	REAL300000553068	1	36	-2.0	-99.42	344.51	6.08	-93.34
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=CC=C2C1=O	REAL300000553069	1	36	-2.0	-103.28	342.84	5.77	-97.51
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=CC=C2C1=O	REAL300000553070	0	37	-2.0	-113.90	341.38	3.40	-110.50
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=CC=C2C1=O	REAL300000553071	1	39	-2.0	-105.11	353.84	6.48	-98.63
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)C=NC2=C1	REAL300000553072	1	39	-2.0	-110.32	341.22	6.37	-103.95
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)=CC(C(=O)[O-])=C1F	REAL300000553073	1	39	-2.0	-112.69	356.51	6.34	-106.35
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)C=NC2=C1	REAL300000553074	1	39	-2.0	-101.85	347.08	6.47	-95.38
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)=CC(C(=O)[O-])=C1C	REAL300000553075	1	42	-2.0	-118.31	368.47	6.86	-111.45
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CC=C2C1=O	REAL300000553076	0	36	-2.0	-102.79	343.43	5.82	-96.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)C(C)=C1C(=O)[O-]	REAL300000553077	1	42	-2.0	-114.39	366.15	7.09	-107.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)C=C1C(=O)[O-]	REAL300000553078	0	39	-2.0	-113.49	356.99	6.39	-107.10
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)=C1	REAL300000553079	0	39	-2.0	-118.72	356.71	6.38	-112.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)C=C1C(=O)[O-]	REAL300000553080	1	42	-2.0	-115.73	365.91	6.88	-108.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)C=C1C(=O)[O-]	REAL300000553081	0	40	-2.0	-113.83	360.03	5.89	-107.94
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)=CC=C1C(=O)[O-]	REAL300000553082	1	39	-2.0	-101.63	347.68	6.23	-95.40
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)C=NC2=C1	REAL300000553083	1	39	-2.0	-112.69	351.21	6.54	-106.15
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=CC=C2C1=O	REAL300000553084	0	36	-2.0	-118.12	335.33	5.73	-112.39
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)C=C1C(=O)[O-]	REAL300000553085	1	39	-2.0	-106.55	356.61	6.37	-100.18
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C2C1=O	REAL300000553086	0	35	-2.0	-111.80	328.23	3.80	-108.00
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=O)N(C)C=NC2=C1	REAL300000553087	0	40	-2.0	-105.77	359.88	5.50	-100.27
CN1C=NC2=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=CC=C2C1=O	REAL300000553088	0	33	-2.0	-101.67	331.82	4.69	-96.98
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=CC=C2C1=O	REAL300000553089	1	43	-2.0	-108.19	377.80	7.58	-100.61
CN1C=NC2=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=CC=C2C1=O	REAL300000553090	1	43	-2.0	-111.47	377.11	7.58	-103.89
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=O)N(C)C=NC3=C2)C=C(C(=O)[O-])O1	REAL300000553091	0	39	-2.0	-107.69	353.80	5.70	-101.99
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)=C2C=N1	REAL300000553092	0	43	-2.0	-88.79	383.67	4.77	-84.02
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2C=N1	REAL300000553093	1	36	-2.0	-105.42	331.73	6.21	-99.21
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC(C)=NC=C21	REAL300000553094	0	44	-2.0	-105.73	386.81	7.28	-98.45
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2C=N1	REAL300000553095	1	36	-2.0	-95.54	327.17	6.19	-89.35
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2C=N1	REAL300000553096	1	36	-2.0	-107.95	327.19	6.17	-101.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC(C)=NC=C21	REAL300000553097	0	40	-2.0	-112.71	355.33	5.98	-106.73
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2C=N1	REAL300000553098	1	40	-2.0	-94.92	358.65	7.48	-87.44
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2C=N1	REAL300000553099	1	39	-2.0	-109.17	343.21	6.72	-102.45
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)=C2C=N1	REAL300000553100	0	36	-2.0	-103.05	340.26	6.77	-96.28
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)=C2C=N1	REAL300000553101	1	36	-2.0	-103.80	339.71	6.58	-97.22
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)=C2C=N1	REAL300000553102	1	42	-2.0	-110.26	359.86	7.53	-102.73
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2C=N1	REAL300000553103	0	36	-2.0	-104.95	332.67	6.25	-98.70
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)=C2C=N1	REAL300000553104	1	42	-2.0	-93.92	370.76	7.76	-86.16
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2C=N1	REAL300000553105	0	33	-2.0	-102.31	320.38	5.20	-97.11
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2C=N1	REAL300000553106	1	39	-2.0	-108.19	342.62	6.97	-101.22
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2C=N1	REAL300000553107	1	40	-2.0	-93.49	358.27	6.46	-87.03
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2C=N1	REAL300000553108	0	37	-2.0	-106.27	333.84	5.53	-100.74
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)=C2C=N1	REAL300000553109	1	40	-2.0	-108.77	350.97	5.02	-103.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C3C=NC(C)=CC3=CC=C2)=C1	REAL300000553110	0	36	-2.0	-98.50	336.30	5.87	-92.63
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)=C2C=N1	REAL300000553111	1	42	-2.0	-110.70	362.64	7.60	-103.10
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2C=N1	REAL300000553112	0	33	-2.0	-103.74	318.84	5.22	-98.52
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(C)=NC=C32)C=C1C(=O)[O-]	REAL300000553113	1	40	-2.0	-113.75	354.48	6.25	-107.50
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)=C2C=N1	REAL300000553114	1	46	-2.0	-111.93	382.42	8.81	-103.12
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)=C2C=N1	REAL300000553115	1	45	-2.0	-110.11	381.09	8.20	-101.91
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC(C)=NC=C21	REAL300000553116	1	42	-2.0	-106.36	355.46	7.84	-98.52
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC(C)=NC=C21	REAL300000553117	0	43	-2.0	-113.80	377.62	6.75	-107.05
CC1=CC2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=C2C=N1	REAL300000553118	0	39	-2.0	-110.03	354.61	6.66	-103.37
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)=C2C=N1	REAL300000553118	1	38	-3.0	-184.81	355.60	6.75	-178.06
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)=C2C=N1	REAL300000553119	1	43	-2.0	-112.31	371.43	8.08	-104.23
CC1=C(S(=O)(=O)[N-]C2=C3C=NC(C)=CC3=CC=C2)C=C(C(=O)[O-])O1	REAL300000553120	0	36	-2.0	-101.45	330.19	5.32	-96.13
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC3=CC(C)=NC=C32)=C1	REAL300000553121	0	40	-2.0	-109.74	356.11	5.26	-104.48
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C4OCC(C(=O)[O-])CC4=C3)=C2C=N1	REAL300000553122	1	44	-2.0	-94.11	380.10	6.78	-87.33
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)=C2C=N1	REAL300000553123	0	36	-2.0	-99.74	344.78	6.79	-92.95
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(C)=C3)=C2C=N1	REAL300000553124	1	43	-2.0	-93.97	378.35	7.16	-86.81
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)=C2C=N1	REAL300000553125	0	39	-2.0	-98.90	347.90	7.00	-91.90
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)=C2C=N1	REAL300000553126	1	40	-2.0	-93.02	364.49	6.52	-86.50
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(C)=NC=C32)C=C1C(=O)[O-]	REAL300000553127	1	43	-2.0	-114.43	376.34	7.16	-107.27
CC1=C(S(=O)(=O)[N-]C2=C3C=NC(C)=CC3=CC=C2)C=C(C(=O)[O-])S1	REAL300000553128	0	36	-2.0	-104.63	336.88	6.07	-98.56
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)=C2C=N1	REAL300000553129	0	36	-2.0	-92.98	340.24	6.75	-86.23
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2C=N1	REAL300000553130	1	36	-2.0	-95.05	331.72	6.22	-88.83
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2C=N1	REAL300000553131	0	33	-2.0	-97.31	319.45	5.30	-92.01
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2C=N1	REAL300000553132	0	36	-2.0	-98.89	333.61	6.25	-92.64
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)=C2C=N1	REAL300000553133	0	39	-2.0	-106.34	352.94	6.88	-99.46
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2C=N1	REAL300000553134	0	36	-2.0	-95.04	332.65	6.25	-88.79
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)=C2C=N1	REAL300000553135	1	36	-2.0	-93.07	339.69	6.59	-86.48
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)=C2C=N1	REAL300000553136	1	39	-2.0	-100.51	356.63	7.39	-93.12
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)=C2C=N1	REAL300000553137	0	44	-2.0	-91.51	390.93	7.59	-83.92
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)=C2C=N1	REAL300000553138	0	36	-2.0	-97.09	338.01	6.28	-90.81
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)=C2C=N1	REAL300000553139	0	38	-2.0	-93.16	355.39	6.85	-86.31
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2C=N1	REAL300000553140	0	37	-2.0	-106.98	336.91	3.90	-103.08
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2C=N1	REAL300000553141	1	39	-2.0	-98.53	349.36	6.96	-91.57
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)=C2C=N1	REAL300000553142	1	36	-2.0	-98.47	347.90	6.71	-91.76
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2C=N1	REAL300000553143	1	39	-2.0	-104.54	337.23	6.81	-97.73
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)=C2C=N1	REAL300000553144	1	39	-2.0	-106.76	352.02	6.83	-99.93
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)=C2C=N1	REAL300000553145	1	39	-2.0	-95.44	342.61	6.95	-88.49
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)=C2C=N1	REAL300000553146	1	42	-2.0	-111.03	360.06	7.25	-103.78
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)=C2C=N1	REAL300000553147	0	38	-2.0	-106.32	353.74	7.28	-99.04
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=C2C=N1	REAL300000553148	0	36	-2.0	-96.75	338.93	6.31	-90.44
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)=C2C=N1	REAL300000553149	1	42	-2.0	-109.07	360.72	7.60	-101.47
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)=C2C=N1	REAL300000553150	0	39	-2.0	-107.25	352.51	6.88	-100.37
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3Cl)=C2C=N1	REAL300000553151	0	39	-2.0	-104.80	358.97	7.33	-97.47
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC3=CC(C)=NC=C32)=C1	REAL300000553152	0	39	-2.0	-113.51	352.22	6.87	-106.64
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(C)=NC=C32)C=C1C(=O)[O-]	REAL300000553153	1	42	-2.0	-109.84	361.51	7.37	-102.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC(C)=NC=C32)C=C1CC(=O)[O-]	REAL300000553154	1	43	-2.0	-109.02	377.67	6.30	-102.72
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)=C2C=N1	REAL300000553155	0	39	-2.0	-97.72	353.45	7.37	-90.35
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(Cl)C(C(=O)[O-])=C3)=C2C=N1	REAL300000553156	1	39	-2.0	-105.52	358.41	7.14	-98.38
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=CC(C)=NC=C32)C=C1C(=O)[O-]	REAL300000553157	0	40	-2.0	-107.55	355.22	6.39	-101.16
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=C(C)C=C(C)C(CC(=O)[O-])=C3C)=C2C=N1	REAL300000553158	1	48	-2.0	-106.58	392.10	9.04	-97.54
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)=C2C=N1	REAL300000553159	1	39	-2.0	-101.29	357.05	7.15	-94.14
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2C=N1	REAL300000553160	1	39	-2.0	-95.65	343.20	6.73	-88.92
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)=C2C=N1	REAL300000553161	1	39	-2.0	-105.86	346.73	7.01	-98.85
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])=C2C=N1	REAL300000553162	0	38	-2.0	-115.92	350.92	8.03	-107.89
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2C=N1	REAL300000553163	0	36	-2.0	-112.76	330.82	6.21	-106.55
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)=C2C=N1	REAL300000553164	0	39	-2.0	-99.67	348.35	6.75	-92.92
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=C2C=N1	REAL300000553165	0	42	-2.0	-116.19	368.23	8.30	-107.89
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2C=N1	REAL300000553166	0	35	-2.0	-104.47	324.18	4.25	-100.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC2=CC(C)=NC=C21	REAL300000553167	0	40	-2.0	-99.48	355.39	5.98	-93.50
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2C=N1	REAL300000553168	0	33	-2.0	-95.57	327.30	5.16	-90.41
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)=C2C=N1	REAL300000553169	1	43	-2.0	-101.58	373.31	8.06	-93.52
CC1=CC2=CC=CC([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)=C2C=N1	REAL300000553170	1	43	-2.0	-105.38	371.28	8.05	-97.33
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC(C)=NC=C32)C=C(C(=O)[O-])O1	REAL300000553171	0	39	-2.0	-101.04	349.31	6.17	-94.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2CO)C=C1	REAL300000553172	1	32	-2.0	-91.22	316.86	3.20	-88.02
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2CO)=C1	REAL300000553173	1	32	-2.0	-103.90	315.85	3.23	-100.67
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2CO)=C1	REAL300000553174	0	29	-2.0	-97.98	310.05	2.20	-95.78
CN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2CO)C=C1C(=O)[O-]	REAL300000553175	0	33	-2.0	-101.74	323.51	2.53	-99.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2CO)=CS1	REAL300000553176	0	29	-2.0	-99.36	308.51	2.22	-97.14
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2CO)C=C(C(=O)[O-])O1	REAL300000553177	0	32	-2.0	-99.15	318.85	2.36	-96.79
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC=C2CO)S1	REAL300000553178	0	29	-2.0	-92.94	309.13	2.32	-90.62
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(Br)=CC=C2CO)=C1	REAL300000553179	0	31	-2.0	-101.05	313.07	1.30	-99.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2CO)C=C1	REAL300000553180	1	32	-2.0	-89.03	316.85	3.19	-85.84
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Br)C=C2CO)=C1	REAL300000553181	1	32	-2.0	-101.35	315.86	3.23	-98.12
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Br)C=C2CO)=C1	REAL300000553182	0	29	-2.0	-95.29	310.05	2.19	-93.10
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2CO)C=C1C(=O)[O-]	REAL300000553183	0	33	-2.0	-99.32	323.51	2.53	-96.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Br)C=C2CO)=CS1	REAL300000553184	0	29	-2.0	-96.59	307.50	2.26	-94.33
CC1=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2CO)C=C(C(=O)[O-])O1	REAL300000553185	0	32	-2.0	-95.36	318.86	2.36	-93.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Br)C=C2CO)S1	REAL300000553186	0	29	-2.0	-90.41	309.13	2.31	-88.10
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Br)C=C2CO)=C1	REAL300000553187	0	31	-2.0	-98.44	313.08	1.29	-97.15
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=CC(Cl)=C1CO	REAL300000553191	1	36	-2.0	-114.19	340.96	2.81	-111.38
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)=C1	REAL300000553194	1	32	-2.0	-105.22	325.90	3.59	-101.63
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)=C1	REAL300000553197	1	32	-2.0	-106.98	318.31	3.07	-103.91
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)=C1	REAL300000553199	0	29	-2.0	-102.94	306.00	2.04	-100.90
CN1C=C(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)C=C1C(=O)[O-]	REAL300000553202	1	33	-2.0	-106.66	319.48	2.38	-104.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)=C1	REAL300000553204	0	32	-2.0	-99.56	321.92	2.70	-96.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)=CS1	REAL300000553206	1	29	-2.0	-104.08	304.47	2.06	-102.02
CC1=C(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)C=C(C(=O)[O-])O1	REAL300000553210	1	32	-2.0	-103.68	315.83	2.16	-101.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)=C1	REAL300000553211	1	36	-2.0	-109.80	341.77	2.11	-107.69
CC1=C(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)C=C(C(=O)[O-])S1	REAL300000553213	1	32	-2.0	-105.77	322.52	2.91	-102.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)C(Cl)=C1	REAL300000553214	1	32	-2.0	-93.68	325.86	3.58	-90.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)S1	REAL300000553216	0	29	-2.0	-97.95	305.10	2.14	-95.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)=C1F	REAL300000553218	1	35	-2.0	-107.79	338.59	3.71	-104.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)C(F)=C1	REAL300000553219	1	32	-2.0	-95.79	318.27	3.08	-92.71
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(F)C=CC(Cl)=C2CO)=C1	REAL300000553222	0	33	-2.0	-111.06	313.02	0.83	-110.23
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)=C1	REAL300000553228	0	32	-2.0	-97.91	324.58	3.13	-94.78
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)C=C1C(=O)[O-]	REAL300000553230	1	35	-2.0	-108.20	334.30	3.60	-104.60
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)=C1	REAL300000553231	1	35	-2.0	-113.91	337.86	3.70	-110.21
CCN1C=C(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)C=C1C(=O)[O-]	REAL300000553233	1	36	-2.0	-108.95	340.83	3.24	-105.71
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)=C1F	REAL300000553236	1	32	-2.0	-113.00	316.49	3.04	-109.96
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)=C1	REAL300000553238	0	31	-2.0	-106.48	309.05	1.14	-105.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(F)C=CC(Cl)=C1CO	REAL300000553239	1	36	-2.0	-100.32	341.01	2.81	-97.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)=C(Cl)O1	REAL300000553240	0	29	-2.0	-97.22	312.97	2.00	-95.22
CCC1=C(S(=O)(=O)[N-]C2=C(F)C=CC(Cl)=C2CO)C=C(C(=O)[O-])O1	REAL300000553243	1	35	-2.0	-103.60	332.94	2.95	-100.65
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000553244	0	42	-2.0	-108.90	368.71	5.23	-103.67
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000553245	0	42	-2.0	-98.82	364.18	5.20	-93.62
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000553246	0	42	-2.0	-111.66	364.20	5.19	-106.47
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1OC	REAL300000553247	0	46	-2.0	-116.86	392.33	4.99	-111.87
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000553248	0	46	-2.0	-98.04	395.63	6.49	-91.55
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000553249	0	45	-2.0	-112.82	380.16	5.73	-107.09
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000553250	0	42	-2.0	-106.97	377.27	5.77	-101.20
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000553251	0	42	-2.0	-107.32	376.69	5.59	-101.73
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000553252	0	48	-2.0	-113.96	397.29	6.51	-107.45
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000553253	0	42	-2.0	-108.73	369.66	5.26	-103.47
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000553254	0	48	-2.0	-97.35	407.77	6.78	-90.57
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000553255	0	39	-2.0	-105.71	357.37	4.21	-101.50
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000553256	0	45	-2.0	-112.15	379.63	5.97	-106.18
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000553257	1	46	-2.0	-96.77	395.26	5.47	-91.30
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000553258	0	43	-2.0	-109.91	370.85	4.54	-105.37
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000553259	1	46	-2.0	-112.27	388.38	4.00	-108.27
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000553260	0	42	-2.0	-101.74	373.33	4.88	-96.86
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000553261	1	48	-2.0	-113.43	395.59	6.51	-106.92
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000553262	0	39	-2.0	-107.11	355.85	4.23	-102.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2OC)C=C1C(=O)[O-]	REAL300000553263	1	46	-2.0	-117.45	391.46	5.26	-112.19
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OC(C)C)C=C1OC	REAL300000553264	0	48	-2.0	-110.00	394.32	6.91	-103.09
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000553265	0	42	-2.0	-105.07	367.21	4.33	-100.74
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000553266	0	46	-2.0	-112.49	393.16	4.29	-108.20
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000553267	0	45	-2.0	-102.69	384.91	6.00	-96.69
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000553268	0	42	-2.0	-108.53	372.83	5.10	-103.43
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000553269	0	42	-2.0	-96.28	377.23	5.76	-90.52
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000553270	0	42	-2.0	-98.23	368.69	5.23	-93.00
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000553271	0	39	-2.0	-100.53	356.44	4.32	-96.21
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000553272	0	42	-2.0	-102.35	370.59	5.26	-97.09
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000553273	0	45	-2.0	-110.25	389.95	5.90	-104.35
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000553274	0	42	-2.0	-98.37	369.65	5.27	-93.10
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000553275	0	42	-2.0	-96.34	376.67	5.60	-90.74
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000553276	0	43	-2.0	-110.78	373.91	2.90	-107.88
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000553277	0	45	-2.0	-102.20	386.37	5.98	-96.22
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000553278	0	45	-2.0	-107.80	374.38	5.84	-101.96
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000553279	0	45	-2.0	-110.34	389.01	5.85	-104.49
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000553280	1	45	-2.0	-98.82	379.61	5.96	-92.86
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000553281	0	48	-2.0	-114.90	396.68	6.26	-108.64
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000553282	1	48	-2.0	-112.08	398.39	6.58	-105.50
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000553283	0	45	-2.0	-110.01	385.30	5.79	-104.22
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000553284	0	45	-2.0	-116.80	389.20	5.89	-110.91
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2OC)C=C1C(=O)[O-]	REAL300000553285	0	48	-2.0	-113.44	398.46	6.37	-107.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2OC)C=C1C(=O)[O-]	REAL300000553286	0	46	-2.0	-111.34	392.22	5.41	-105.93
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000553287	0	45	-2.0	-100.52	384.49	5.87	-94.65
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000553288	0	45	-2.0	-109.38	384.15	6.00	-103.38
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000553289	0	42	-2.0	-115.81	367.82	5.21	-110.60
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000553290	0	45	-2.0	-103.17	384.98	5.76	-97.41
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000553291	0	41	-2.0	-109.37	360.41	3.31	-106.06
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000553292	0	46	-2.0	-103.12	392.40	4.99	-98.13
COC1=CC(OC(C)C)=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000553293	0	39	-2.0	-98.99	364.30	4.16	-94.83
CCC1=C(S(=O)(=O)[N-]C2=CC=C(OC(C)C)C=C2OC)C=C(C(=O)[O-])O1	REAL300000553294	0	45	-2.0	-104.70	386.32	5.17	-99.53
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000553295	0	36	-2.0	-112.18	349.38	-3.21	-115.39
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000553296	0	36	-2.0	-102.44	344.82	-3.23	-105.67
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000553297	0	36	-2.0	-114.49	344.85	-3.24	-117.73
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NCC(N)=O	REAL300000553298	0	40	-2.0	-118.75	372.99	-3.42	-122.17
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000553299	0	40	-2.0	-101.57	376.30	-1.94	-103.51
CC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)C=C1C(=O)[O-]	REAL300000553300	0	39	-2.0	-115.59	360.86	-2.70	-118.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)=C1C	REAL300000553301	0	42	-2.0	-115.92	377.96	-1.91	-117.83
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000553302	0	36	-2.0	-110.87	350.31	-3.17	-114.04
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000553303	0	42	-2.0	-100.66	388.42	-1.65	-102.31
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000553304	0	33	-2.0	-108.98	338.04	-4.20	-113.18
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NCC(N)=O	REAL300000553305	0	39	-2.0	-114.09	360.28	-2.45	-116.54
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000553306	0	40	-2.0	-100.32	375.92	-2.95	-103.27
CN1C=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)C=C1C(=O)[O-]	REAL300000553307	0	37	-2.0	-113.14	351.48	-3.88	-117.02
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NCC(N)=O	REAL300000553308	0	40	-2.0	-114.67	368.63	-4.39	-119.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)=C1	REAL300000553309	0	36	-2.0	-105.20	353.95	-3.54	-108.74
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)C=C1C(=O)[O-]	REAL300000553310	0	42	-2.0	-116.62	380.29	-1.82	-118.44
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000553311	0	33	-2.0	-110.33	336.49	-4.19	-114.52
COC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)C=C1C(=O)[O-]	REAL300000553312	0	40	-2.0	-120.41	372.12	-3.17	-123.58
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NCC(N)=O	REAL300000553313	0	42	-2.0	-111.40	373.33	-1.51	-112.91
CC1=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)C=C(C(=O)[O-])O1	REAL300000553314	0	36	-2.0	-107.79	347.85	-4.08	-111.87
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)=C1	REAL300000553315	0	40	-2.0	-115.63	373.83	-4.13	-119.76
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NCC(N)=O	REAL300000553316	0	39	-2.0	-105.23	365.55	-2.42	-107.65
CC1=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)C=C(C(=O)[O-])S1	REAL300000553317	0	36	-2.0	-110.68	354.54	-3.33	-114.01
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000553318	0	36	-2.0	-102.06	349.36	-3.20	-105.26
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000553319	0	33	-2.0	-103.98	337.11	-4.10	-108.08
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000553320	0	36	-2.0	-105.62	351.25	-3.17	-108.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)=C1F	REAL300000553321	0	39	-2.0	-112.41	370.60	-2.53	-114.94
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000553322	0	36	-2.0	-101.99	350.31	-3.16	-105.15
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000553323	0	36	-3.0	-210.09	350.99	-4.62	-214.71
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000553323	1	37	-2.0	-112.26	354.56	-5.51	-117.77
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000553324	0	39	-2.0	-104.98	367.02	-2.45	-107.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NCC(N)=O	REAL300000553325	0	39	-2.0	-111.74	354.88	-2.60	-114.34
CC1=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)=CC(C(=O)[O-])=C1F	REAL300000553326	0	39	-2.0	-113.60	369.68	-2.59	-116.19
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NCC(N)=O	REAL300000553327	0	39	-2.0	-102.38	360.26	-2.47	-104.85
CC1=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)=CC(C(=O)[O-])=C1C	REAL300000553328	0	42	-2.0	-117.65	377.72	-2.17	-119.82
CC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)C(C)=C1C(=O)[O-]	REAL300000553329	0	42	-2.0	-116.17	378.38	-1.82	-117.99
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)C=C1C(=O)[O-]	REAL300000553330	0	39	-2.0	-113.17	370.16	-2.54	-115.71
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)=C1	REAL300000553331	0	39	-2.0	-120.46	369.86	-2.54	-123.00
CCC1=CC=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)C=C1C(=O)[O-]	REAL300000553332	0	42	-2.0	-116.36	378.78	-2.05	-118.41
CCN1C=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)C=C1C(=O)[O-]	REAL300000553333	0	40	-2.0	-114.48	372.87	-3.02	-117.50
CC1=CC(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)=CC=C1C(=O)[O-]	REAL300000553334	0	39	-2.0	-102.59	360.85	-2.69	-105.28
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NCC(N)=O	REAL300000553335	0	39	-2.0	-111.89	364.38	-2.39	-114.28
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000553336	0	36	-2.0	-119.65	348.48	-3.21	-122.86
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)C=C1C(=O)[O-]	REAL300000553337	0	39	-2.0	-106.39	366.01	-2.66	-109.05
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000553338	0	35	-2.0	-112.27	341.05	-5.10	-117.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CNN=C1C(=O)NCC(N)=O	REAL300000553339	0	40	-2.0	-106.43	373.05	-3.42	-109.85
NC(=O)CNC(=O)C1=NNC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000553340	0	33	-2.0	-102.34	344.95	-4.23	-106.57
CCC1=C(S(=O)(=O)[N-]C2=CNN=C2C(=O)NCC(N)=O)C=C(C(=O)[O-])O1	REAL300000553341	0	39	-2.0	-107.08	366.97	-3.24	-110.32
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000553342	1	41	-2.0	-103.99	367.33	5.66	-98.33
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000553343	1	41	-2.0	-93.09	361.97	5.66	-87.43
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000553344	0	41	-2.0	-106.15	361.98	5.65	-100.50
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300000553345	0	45	-2.0	-112.15	390.94	5.43	-106.72
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000553346	0	45	-2.0	-93.02	393.43	6.94	-86.08
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000553347	1	44	-2.0	-105.29	377.44	6.19	-99.10
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000553348	0	41	-2.0	-102.36	375.87	6.20	-96.16
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000553349	0	41	-2.0	-102.19	375.31	6.02	-96.17
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000553350	0	47	-2.0	-107.89	395.91	6.96	-100.93
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000553351	0	41	-2.0	-103.74	368.27	5.69	-98.05
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000553352	0	47	-2.0	-92.58	405.54	7.23	-85.35
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000553353	0	38	-2.0	-100.32	355.16	4.66	-95.66
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000553366	0	41	-2.0	-104.54	371.42	5.52	-99.02
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000553367	0	41	-2.0	-90.56	375.03	6.21	-84.35
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000553368	0	41	-2.0	-92.51	366.51	5.69	-86.82
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000553369	0	38	-2.0	-94.40	354.24	4.78	-89.62
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000553370	0	41	-2.0	-95.70	368.39	5.72	-89.98
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000553371	0	44	-2.0	-105.01	387.73	6.35	-98.66
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000553372	0	41	-2.0	-92.04	367.44	5.72	-86.32
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000553373	0	41	-2.0	-90.56	374.48	6.05	-84.51
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000553374	0	41	-2.0	-95.38	372.80	5.74	-89.64
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000553375	0	42	-2.0	-105.57	372.53	3.35	-102.22
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000553376	0	44	-2.0	-97.07	384.15	6.42	-90.65
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000553377	0	44	-2.0	-100.86	371.47	6.29	-94.57
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000553378	1	44	-2.0	-103.28	386.81	6.30	-96.98
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000553379	1	44	-2.0	-93.23	378.23	6.40	-86.83
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000553380	1	47	-2.0	-109.06	395.46	6.71	-102.35
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000553381	0	41	-2.0	-95.08	373.72	5.78	-89.30
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000553382	1	47	-2.0	-105.59	396.32	7.03	-98.56
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000553383	0	44	-2.0	-106.20	387.98	6.33	-99.87
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000553384	0	44	-2.0	-107.84	386.99	6.34	-101.50
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300000553385	1	47	-2.0	-106.09	396.77	6.86	-99.23
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300000553386	0	45	-2.0	-105.51	390.00	5.86	-99.65
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000553387	1	44	-2.0	-94.70	382.07	6.25	-88.45
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000553388	1	44	-2.0	-103.78	382.75	6.44	-97.34
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000553389	0	41	-2.0	-107.14	365.61	5.67	-101.47
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000553390	0	44	-2.0	-97.69	383.80	6.21	-91.48
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000553391	0	40	-2.0	-102.33	358.18	3.76	-98.57
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300000553392	0	45	-2.0	-97.16	390.18	5.44	-91.72
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000553393	0	38	-2.0	-94.04	362.90	4.59	-89.45
CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300000553394	0	44	-2.0	-98.91	384.93	5.62	-93.29
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553395	1	44	-2.0	-106.77	384.82	7.30	-99.47
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553396	1	41	-2.0	-107.75	369.39	6.54	-101.21
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCC3=C2)=C1)C(=O)[O-]	REAL300000553397	1	40	-2.0	-102.63	350.52	5.73	-96.90
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1)C(=O)[O-]	REAL300000553399	0	35	-2.0	-111.14	323.11	6.15	-104.99
CC(OC1=CC=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553400	0	38	-2.0	-101.33	354.64	5.47	-95.86
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553400	1	37	-3.0	-158.24	348.07	5.60	-152.64
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1)C(=O)[O-]	REAL300000553401	0	34	-2.0	-95.23	326.46	4.52	-90.71
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C1)C(=O)[O-]	REAL300000553402	1	36	-2.0	-101.25	335.44	6.28	-94.97
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=C1)C(=O)[O-]	REAL300000553403	1	36	-2.0	-97.01	335.25	6.27	-90.74
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1)C(=O)[O-]	REAL300000553404	0	35	-2.0	-100.88	336.84	6.47	-94.41
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=C1)C(=O)[O-]	REAL300000553405	0	36	-2.0	-110.83	332.68	6.16	-104.67
CC(OC1=CC=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553406	0	38	-2.0	-121.52	354.17	6.36	-115.16
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553406	1	37	-3.0	-169.52	347.43	6.46	-163.06
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1)C(=O)[O-]	REAL300000553408	1	44	-2.0	-102.36	377.42	5.84	-96.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000553409	1	40	-2.0	-102.07	358.87	7.07	-95.00
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553410	0	38	-2.0	-99.76	330.81	3.72	-96.04
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1)C(=O)[O-]	REAL300000553411	1	38	-2.0	-96.58	353.36	6.88	-89.70
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1)C(=O)[O-]	REAL300000553412	1	45	-2.0	-105.91	377.32	8.38	-97.53
CC(OC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1)C(=O)[O-]	REAL300000553413	0	38	-2.0	-102.28	349.33	6.32	-95.96
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1)C(=O)[O-]	REAL300000553413	1	37	-3.0	-159.51	343.04	6.45	-153.06
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553414	0	43	-2.0	-111.82	372.17	4.95	-106.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1OC	REAL300000553415	1	43	-2.0	-103.04	373.33	5.09	-97.95
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1)C(=O)[O-]	REAL300000553416	1	42	-2.0	-106.02	360.15	7.79	-98.23
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553417	0	37	-2.0	-95.54	327.78	4.85	-90.69
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1)C(=O)[O-]	REAL300000553418	1	35	-2.0	-95.55	346.35	6.85	-88.70
CC(OC1=CC=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553419	0	38	-2.0	-100.54	349.64	6.33	-94.21
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553419	1	37	-3.0	-174.42	343.07	6.44	-167.98
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1)C(=O)[O-]	REAL300000553420	1	35	-2.0	-94.71	327.14	5.98	-88.73
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1)C(=O)[O-]	REAL300000553421	0	35	-2.0	-100.38	344.29	6.96	-93.42
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1)C(=O)[O-]	REAL300000553422	1	38	-2.0	-100.79	353.34	6.89	-93.90
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553423	1	38	-2.0	-105.00	335.84	6.54	-98.46
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1)C(=O)[O-]	REAL300000553425	0	38	-2.0	-106.51	340.29	7.25	-99.26
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300000553426	1	35	-2.0	-100.98	331.16	6.40	-94.58
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553427	1	40	-2.0	-103.43	357.17	6.36	-97.07
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553428	1	41	-2.0	-104.68	351.32	7.30	-97.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C	REAL300000553429	1	41	-2.0	-105.77	352.85	7.08	-98.69
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1)C(=O)[O-]	REAL300000553430	1	35	-2.0	-94.90	337.02	6.44	-88.46
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553431	1	40	-2.0	-113.98	355.70	6.28	-107.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(C)=C1	REAL300000553432	1	41	-2.0	-104.11	351.32	7.30	-96.81
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553433	0	41	-2.0	-115.47	359.67	7.26	-108.21
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553434	0	44	-2.0	-99.25	391.06	7.46	-91.79
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1)C(=O)[O-]	REAL300000553435	0	35	-2.0	-102.28	342.92	6.91	-95.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000553436	1	41	-2.0	-102.53	369.94	6.61	-95.92
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=C1)C(=O)[O-]	REAL300000553437	1	47	-2.0	-103.75	390.80	8.21	-95.54
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(OC(C)C(=O)[O-])=CC=C2)C=C1	REAL300000553438	1	44	-2.0	-103.70	374.83	7.82	-95.88
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553439	1	47	-2.0	-103.55	393.28	8.47	-95.08
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553440	0	41	-3.0	-177.85	371.03	6.23	-171.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553440	1	42	-2.0	-105.21	373.57	6.20	-99.01
CC(OC1=CC=CC(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1)C(=O)[O-]	REAL300000553441	0	42	-2.0	-106.81	377.19	7.71	-99.10
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1)C(=O)[O-]	REAL300000553441	1	41	-3.0	-158.60	374.34	7.73	-150.87
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1)C(=O)[O-]	REAL300000553442	0	35	-2.0	-104.90	338.22	7.20	-97.70
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1)C(=O)[O-]	REAL300000553443	0	32	-2.0	-96.97	323.41	5.49	-91.48
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553444	1	44	-2.0	-103.43	378.82	8.09	-95.34
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553445	0	39	-2.0	-110.48	342.86	5.67	-104.81
CC1=CC=C(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000553446	0	41	-2.0	-119.35	365.50	6.88	-112.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000553446	1	40	-3.0	-174.48	359.72	7.02	-167.46
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1)C(=O)[O-]	REAL300000553447	0	35	-2.0	-99.11	332.49	6.06	-93.05
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300000553448	1	35	-2.0	-96.05	348.07	6.92	-89.13
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1)C(=O)[O-]	REAL300000553449	0	35	-2.0	-104.87	327.73	6.44	-98.43
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553450	0	37	-2.0	-101.97	342.65	6.55	-95.42
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553451	0	40	-2.0	-100.66	358.31	7.32	-93.34
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300000553452	0	32	-2.0	-102.29	306.36	4.88	-97.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553453	1	39	-2.0	-102.33	344.09	5.18	-97.15
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1)C(=O)[O-]	REAL300000553454	0	37	-2.0	-116.64	333.84	7.31	-109.33
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1)C(=O)[O-]	REAL300000553455	0	37	-3.0	-168.06	356.14	7.02	-161.04
CC(OC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1)C(=O)[O-]	REAL300000553455	1	38	-2.0	-99.74	358.63	6.99	-92.75
CC(OC1=CC=CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553456	0	38	-2.0	-118.10	362.14	6.72	-111.38
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553456	1	37	-3.0	-168.22	355.58	6.84	-161.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553457	1	38	-2.0	-104.38	335.83	6.55	-97.83
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553458	1	42	-2.0	-101.82	365.78	6.10	-95.72
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1)C(=O)[O-]	REAL300000553459	0	35	-2.0	-100.21	326.51	6.02	-94.19
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1)C(=O)[O-]	REAL300000553460	1	35	-2.0	-101.29	320.84	5.95	-95.34
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1)C(=O)[O-]	REAL300000553461	0	35	-2.0	-95.42	327.42	6.02	-89.40
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1C	REAL300000553462	1	47	-2.0	-104.76	378.45	8.59	-96.17
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1)C(=O)[O-]	REAL300000553463	1	41	-2.0	-104.69	358.91	5.03	-99.66
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553465	1	50	-2.0	-105.72	406.29	8.97	-96.75
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300000553466	1	35	-2.0	-97.96	331.16	6.39	-91.57
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1)C(=O)[O-]	REAL300000553467	0	37	-2.0	-93.37	342.65	6.54	-86.83
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300000553468	1	35	-2.0	-104.25	314.42	5.87	-98.38
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553469	1	42	-2.0	-109.66	370.84	4.77	-104.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)S1	REAL300000553470	0	35	-2.0	-103.37	328.42	5.69	-97.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)=C1C	REAL300000553471	0	44	-2.0	-106.79	374.96	7.32	-99.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1C	REAL300000553471	1	43	-3.0	-175.17	375.74	7.80	-167.37
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553472	0	39	-2.0	-103.87	359.59	6.19	-97.68
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1)C(=O)[O-]	REAL300000553473	0	37	-3.0	-169.61	348.54	6.51	-163.10
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1)C(=O)[O-]	REAL300000553474	0	32	-2.0	-95.95	337.45	6.04	-89.91
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553475	1	50	-2.0	-103.34	418.06	9.39	-93.95
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553476	1	40	-2.0	-99.64	352.28	7.13	-92.51
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1)C(=O)[O-]	REAL300000553477	0	35	-2.0	-103.19	326.33	6.00	-97.19
CC(OC1=CC=CC(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1)C(=O)[O-]	REAL300000553478	0	44	-2.0	-101.81	393.09	7.91	-93.90
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1)C(=O)[O-]	REAL300000553478	1	43	-3.0	-157.77	386.46	8.02	-149.75
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553479	1	45	-2.0	-109.40	391.12	5.60	-103.80
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1)C(=O)[O-]	REAL300000553480	1	39	-2.0	-100.07	350.34	2.70	-97.37
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553481	1	39	-2.0	-102.21	354.79	6.91	-95.30
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1)C(=O)[O-]	REAL300000553482	1	40	-2.0	-100.91	356.44	4.32	-96.59
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=C1)C(=O)[O-]	REAL300000553483	1	43	-2.0	-101.99	374.42	5.07	-96.92
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1)C(=O)[O-]	REAL300000553485	0	34	-3.0	-167.52	336.25	5.46	-162.06
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1)C(=O)[O-]	REAL300000553486	1	38	-2.0	-100.21	346.35	3.39	-96.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553488	0	41	-2.0	-106.06	357.90	6.78	-99.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553488	1	40	-3.0	-172.92	358.49	7.24	-165.68
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553489	0	41	-2.0	-102.68	351.12	4.90	-97.78
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1C	REAL300000553490	0	43	-2.0	-100.70	375.60	7.89	-92.81
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553491	0	41	-2.0	-99.60	369.21	6.54	-93.06
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553492	1	42	-2.0	-103.45	371.04	4.17	-99.28
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553493	0	44	-2.0	-114.13	386.73	7.55	-106.58
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=C1)C(=O)[O-]	REAL300000553494	1	39	-2.0	-103.31	348.94	2.65	-100.66
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553495	1	41	-2.0	-103.97	357.50	7.32	-96.65
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1)C(=O)[O-]	REAL300000553496	1	41	-2.0	-106.87	360.37	8.15	-98.72
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=CS1	REAL300000553497	0	38	-2.0	-112.41	354.19	6.18	-106.23
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553498	1	45	-2.0	-102.99	391.16	6.40	-96.59
CC(OC1=CC=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1)C(=O)[O-]	REAL300000553500	0	42	-2.0	-105.29	376.98	6.71	-98.58
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1)C(=O)[O-]	REAL300000553500	1	41	-3.0	-157.63	373.97	6.72	-150.91
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553501	1	47	-2.0	-103.77	395.77	8.56	-95.21
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300000553502	1	35	-2.0	-97.36	320.83	5.94	-91.42
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1)C(=O)[O-]	REAL300000553503	0	35	-2.0	-108.18	319.93	5.93	-102.25
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C1)C(=O)[O-]	REAL300000553504	1	40	-2.0	-100.52	356.98	6.39	-94.13
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553505	0	41	-2.0	-116.47	367.45	4.47	-112.00
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(OC(C)C(=O)[O-])=C3)=C2N=C1	REAL300000553506	0	43	-2.0	-118.98	375.79	7.15	-111.83
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553507	1	45	-2.0	-101.42	387.45	6.90	-94.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(Cl)=C1	REAL300000553508	0	38	-2.0	-104.67	348.97	7.10	-97.57
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=C1)C(=O)[O-]	REAL300000553509	1	41	-2.0	-100.76	365.16	3.11	-97.65
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)=C1)C(=O)[O-]	REAL300000553510	1	43	-2.0	-101.32	377.90	6.33	-94.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000553511	0	41	-2.0	-110.42	365.32	6.63	-103.79
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=C1)C(=O)[O-]	REAL300000553512	1	40	-2.0	-98.53	362.11	7.37	-91.16
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)=C1)C(=O)[O-]	REAL300000553513	1	41	-2.0	-100.84	368.72	5.84	-95.00
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=C1)C(=O)[O-]	REAL300000553514	0	41	-2.0	-109.34	375.15	3.39	-105.95
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553515	1	38	-2.0	-97.17	336.48	6.72	-90.45
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300000553516	1	45	-2.0	-106.34	384.28	9.74	-96.60
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1)C(=O)[O-]	REAL300000553517	0	35	-2.0	-97.46	333.96	6.50	-90.96
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(F)=C1	REAL300000553518	0	42	-2.0	-115.24	375.86	4.85	-110.39
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=C1)C(=O)[O-]	REAL300000553519	1	41	-2.0	-112.85	375.13	3.39	-109.46
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1OC	REAL300000553521	0	43	-2.0	-104.55	378.64	5.15	-99.40
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1OC	REAL300000553522	1	46	-2.0	-102.90	388.77	5.85	-97.05
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553523	0	38	-3.0	-172.02	349.54	5.79	-166.23
CC(OC1=CC=CC(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553523	1	39	-2.0	-100.58	356.14	5.67	-94.91
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=C1)C(=O)[O-]	REAL300000553524	0	35	-2.0	-110.74	331.89	5.44	-105.30
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=C1)C(=O)[O-]	REAL300000553525	0	40	-2.0	-102.63	356.53	2.03	-100.60
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553526	0	42	-2.0	-107.49	367.34	4.90	-102.59
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553527	1	46	-2.0	-104.28	399.41	5.37	-98.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1Cl	REAL300000553528	1	39	-2.0	-100.98	360.12	5.74	-95.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1F	REAL300000553529	1	39	-2.0	-100.99	350.32	5.26	-95.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C	REAL300000553530	1	42	-2.0	-103.32	364.16	5.93	-97.39
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C	REAL300000553531	1	45	-2.0	-102.81	386.03	6.85	-95.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(N)=O	REAL300000553532	1	42	-2.0	-99.33	364.85	3.34	-95.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(N)=O	REAL300000553533	1	43	-2.0	-101.35	376.24	3.25	-98.10
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=C2)=C1)C(=O)[O-]	REAL300000553534	0	35	-2.0	-101.68	319.16	3.59	-98.09
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553535	0	40	-2.0	-93.13	358.30	7.32	-85.81
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CN1C	REAL300000553537	0	43	-2.0	-103.10	378.57	3.51	-99.59
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553538	1	38	-2.0	-100.57	346.81	7.17	-93.40
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553539	1	48	-2.0	-101.51	407.38	7.60	-93.91
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C	REAL300000553541	1	45	-2.0	-103.25	388.01	6.76	-96.49
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553542	0	37	-3.0	-162.21	352.17	6.13	-156.08
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=C1)C(=O)[O-]	REAL300000553543	1	36	-2.0	-94.47	350.64	6.69	-87.78
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=C1)C(=O)[O-]	REAL300000553544	1	36	-2.0	-94.70	350.85	6.69	-88.01
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000553545	0	44	-2.0	-105.87	376.42	7.76	-98.11
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000553545	1	43	-3.0	-174.45	373.77	7.78	-166.67
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C1)C(=O)[O-]	REAL300000553546	1	39	-2.0	-109.30	352.96	6.26	-103.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1Cl	REAL300000553547	1	38	-2.0	-101.44	350.07	7.00	-94.44
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1)C(=O)[O-]	REAL300000553548	0	35	-2.0	-105.31	336.29	6.45	-98.86
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1OC(C)C	REAL300000553549	1	48	-2.0	-103.17	403.81	7.48	-95.69
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553550	0	41	-2.0	-98.66	370.89	6.33	-92.33
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1F	REAL300000553551	1	38	-2.0	-101.29	341.32	6.59	-94.70
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553552	1	38	-2.0	-97.76	346.64	7.16	-90.60
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553553	0	38	-2.0	-108.51	341.52	6.61	-101.90
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553554	1	38	-2.0	-100.82	336.49	6.72	-94.10
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C1)C(=O)[O-]	REAL300000553555	1	41	-2.0	-102.71	374.47	7.94	-94.77
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553556	0	40	-2.0	-116.47	351.04	8.27	-108.20
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)=C1)C(=O)[O-]	REAL300000553557	1	45	-2.0	-116.44	387.80	5.79	-110.65
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553558	0	43	-2.0	-119.38	375.87	7.17	-112.21
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553559	0	34	-3.0	-169.27	334.54	5.46	-163.81
CC(OC1=CC=CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553559	1	35	-2.0	-115.66	341.27	5.36	-110.30
COC1=CC=C(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000553560	0	42	-2.0	-127.12	376.75	6.38	-120.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000553560	1	41	-3.0	-180.50	370.18	6.51	-173.99
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C2=CC=CN=C2C=C1	REAL300000553561	1	43	-2.0	-104.71	364.60	7.25	-97.46
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1O	REAL300000553562	1	42	-2.0	-101.44	378.21	4.58	-96.86
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1)C(=O)[O-]	REAL300000553563	0	37	-2.0	-108.05	342.26	7.40	-100.65
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1)C(=O)[O-]	REAL300000553564	1	45	-2.0	-104.53	388.79	9.30	-95.23
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1)C(=O)[O-]	REAL300000553565	0	37	-2.0	-111.59	348.02	7.27	-104.32
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553566	0	44	-2.0	-114.20	395.53	4.35	-109.85
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553569	0	39	-2.0	-105.84	345.79	4.25	-101.59
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CNN=C2)=C1)C(=O)[O-]	REAL300000553570	0	32	-2.0	-98.71	296.01	2.26	-96.45
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553571	0	44	-2.0	-106.01	375.64	7.75	-98.26
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553571	1	43	-3.0	-171.23	373.04	8.15	-163.08
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1)C(=O)[O-]	REAL300000553572	0	38	-2.0	-107.49	353.94	6.77	-100.72
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)S1	REAL300000553573	0	38	-2.0	-97.79	362.30	5.62	-92.17
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C	REAL300000553574	0	43	-2.0	-114.09	375.07	8.53	-105.56
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C1)C(=O)[O-]	REAL300000553575	0	39	-2.0	-96.98	352.19	6.24	-90.74
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1)C(=O)[O-]	REAL300000553576	0	35	-2.0	-101.40	329.33	6.22	-95.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000553577	0	37	-3.0	-165.11	346.07	5.58	-159.53
CC1=C(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000553577	1	38	-2.0	-107.31	348.43	5.55	-101.76
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1)C(=O)[O-]	REAL300000553578	0	38	-2.0	-122.97	342.62	5.07	-117.90
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553579	0	41	-2.0	-108.51	374.87	6.59	-101.92
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553580	0	45	-2.0	-111.96	385.94	7.25	-104.71
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1)C(=O)[O-]	REAL300000553581	1	40	-2.0	-114.38	362.87	6.06	-108.32
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1)C(=O)[O-]	REAL300000553582	0	37	-2.0	-117.92	340.85	7.54	-110.38
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553583	0	41	-3.0	-175.17	371.88	5.52	-169.65
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553583	1	42	-2.0	-116.25	374.40	5.50	-110.75
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1)C(=O)[O-]	REAL300000553584	0	42	-2.0	-102.74	375.00	6.99	-95.75
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1)C(=O)[O-]	REAL300000553585	0	34	-2.0	-95.54	315.85	4.15	-91.39
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553586	0	38	-2.0	-103.17	362.48	5.53	-97.64
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553587	0	43	-2.0	-99.20	373.06	8.27	-90.93
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=C1)C(=O)[O-]	REAL300000553588	1	40	-2.0	-105.40	350.77	6.32	-99.08
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1)C(=O)[O-]	REAL300000553589	0	34	-2.0	-96.69	339.75	5.01	-91.68
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C=N2)=C1)C(=O)[O-]	REAL300000553590	0	35	-2.0	-113.35	318.78	4.96	-108.39
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC(OC(C)C(=O)[O-])=C3)C=C12	REAL300000553592	0	43	-2.0	-99.20	380.92	5.61	-93.59
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(OC(C)C(=O)[O-])=C3)C=C12	REAL300000553593	0	39	-2.0	-95.92	354.36	2.86	-93.06
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=C1)C(=O)[O-]	REAL300000553594	0	35	-2.0	-93.91	330.38	4.40	-89.51
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=C1)C(=O)[O-]	REAL300000553595	1	44	-2.0	-105.11	395.97	8.72	-96.39
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1)C(=O)[O-]	REAL300000553596	0	35	-2.0	-106.27	326.40	6.01	-100.26
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(F)=C1	REAL300000553597	0	39	-2.0	-106.68	352.59	5.45	-101.23
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553598	0	41	-2.0	-99.06	363.11	6.81	-92.25
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553598	1	40	-3.0	-163.40	363.77	7.27	-156.13
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1)C(=O)[O-]	REAL300000553599	0	41	-2.0	-109.50	357.74	5.52	-103.98
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CN1C	REAL300000553600	0	38	-2.0	-112.62	337.96	4.76	-107.86
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1)C(=O)[O-]	REAL300000553601	0	39	-2.0	-106.44	352.62	5.93	-100.51
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553602	1	44	-2.0	-107.33	391.09	7.45	-99.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=N1	REAL300000553603	0	38	-2.0	-101.94	340.69	4.44	-97.50
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553604	1	42	-2.0	-105.85	369.67	5.61	-100.24
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553605	0	41	-2.0	-110.30	366.05	7.33	-102.97
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1)C(=O)[O-]	REAL300000553606	1	40	-2.0	-102.87	350.40	5.17	-97.70
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1)C(=O)[O-]	REAL300000553607	0	35	-2.0	-100.28	333.96	6.50	-93.78
CC(OC1=CC([N-]S(=O)(=O)C2=CC=C3OC(C)CC3=C2)=CC=C1)C(=O)[O-]	REAL300000553609	1	43	-2.0	-103.08	371.52	6.47	-96.61
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=C1)C(=O)[O-]	REAL300000553610	0	39	-2.0	-98.25	358.72	2.73	-95.52
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553611	0	35	-2.0	-99.50	314.85	2.92	-96.58
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553612	1	39	-2.0	-106.19	343.93	5.17	-101.02
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553613	1	38	-2.0	-104.18	329.50	6.65	-97.53
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)S1	REAL300000553614	0	41	-2.0	-107.92	375.75	4.11	-103.81
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)S1	REAL300000553614	1	40	-3.0	-166.63	371.79	3.00	-163.63
CC(OC1=CC=CC([N-]S(=O)(=O)C2=NN(C)C=C2)=C1)C(=O)[O-]	REAL300000553615	0	35	-2.0	-110.62	319.61	3.42	-107.20
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C)=C1)C(=O)[O-]	REAL300000553616	0	35	-2.0	-96.83	314.84	3.52	-93.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(F)=C1	REAL300000553622	0	38	-2.0	-107.80	341.34	6.61	-101.19
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1F	REAL300000553623	1	38	-2.0	-97.98	341.33	6.57	-91.41
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CNC=N2)=C1)C(=O)[O-]	REAL300000553624	0	32	-2.0	-111.20	295.90	3.26	-107.94
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)O1	REAL300000553625	0	38	-2.0	-98.52	354.14	4.67	-93.85
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1)C(=O)[O-]	REAL300000553626	0	40	-2.0	-119.16	354.56	6.52	-112.64
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1)C(=O)[O-]	REAL300000553627	0	35	-2.0	-95.71	332.79	6.06	-89.65
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000553628	0	37	-3.0	-168.99	351.67	6.34	-162.65
CC1=C(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000553628	1	38	-2.0	-106.54	355.54	6.31	-100.23
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1C	REAL300000553629	1	44	-2.0	-106.16	379.34	7.23	-98.93
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553630	0	39	-2.0	-105.60	357.21	5.75	-99.85
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CN=C1Cl	REAL300000553631	0	37	-2.0	-96.32	345.25	5.10	-91.22
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553632	0	41	-2.0	-113.47	373.68	3.42	-110.05
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553634	1	44	-2.0	-108.77	391.55	7.33	-101.44
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553636	0	47	-2.0	-103.25	393.80	6.49	-96.76
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)SC=C1	REAL300000553637	0	35	-2.0	-104.96	325.19	5.50	-99.46
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1C	REAL300000553638	0	44	-2.0	-103.17	374.03	5.83	-97.34
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C	REAL300000553639	0	44	-2.0	-100.12	386.03	7.11	-93.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000553640	0	40	-2.0	-93.96	358.75	7.06	-86.90
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=C1)C(=O)[O-]	REAL300000553643	1	43	-2.0	-115.80	374.18	4.33	-111.47
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553644	1	39	-2.0	-100.35	350.69	7.05	-93.30
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1F	REAL300000553645	1	42	-2.0	-111.72	376.88	4.93	-106.79
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000553646	0	40	-2.0	-101.89	367.63	7.28	-94.61
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)=C1)C(=O)[O-]	REAL300000553647	1	47	-2.0	-102.13	367.18	8.11	-94.02
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1C	REAL300000553648	1	45	-2.0	-122.56	390.34	5.72	-116.84
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553649	0	39	-2.0	-105.70	352.07	6.33	-99.37
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553650	1	39	-2.0	-96.80	350.84	7.04	-89.76
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553651	1	47	-2.0	-105.13	379.24	9.08	-96.05
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=C1)C(=O)[O-]	REAL300000553653	0	36	-2.0	-99.89	340.91	6.34	-93.55
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(OC(C)C(=O)[O-])=C3)C=C2O1	REAL300000553654	1	40	-2.0	-102.36	358.25	3.55	-98.81
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(OC(C)C(=O)[O-])=CC=C2)C=N1	REAL300000553655	0	41	-2.0	-101.82	359.20	4.96	-96.86
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1)C(=O)[O-]	REAL300000553656	1	40	-2.0	-104.97	355.41	6.26	-98.71
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=N1	REAL300000553657	0	41	-2.0	-106.35	373.95	4.64	-101.71
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC(OC(C)C(=O)[O-])=CC=C2)=CN1	REAL300000553658	0	41	-2.0	-109.73	358.23	4.31	-105.42
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])=C1)C(=O)[O-]	REAL300000553659	0	38	-2.0	-105.14	356.81	7.73	-97.41
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1)C(=O)[O-]	REAL300000553663	0	35	-2.0	-90.23	333.60	6.07	-84.16
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553664	1	46	-2.0	-101.49	397.05	7.72	-93.77
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CN1C	REAL300000553666	0	42	-2.0	-107.31	375.77	5.98	-101.33
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553667	1	50	-2.0	-103.65	405.03	8.68	-94.97
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1)C(=O)[O-]	REAL300000553668	0	37	-3.0	-157.47	355.94	6.99	-150.48
CC(OC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1)C(=O)[O-]	REAL300000553668	1	38	-2.0	-104.15	358.86	7.01	-97.14
CC(OC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1)C(=O)[O-]	REAL300000553669	0	38	-2.0	-109.01	350.06	6.46	-102.55
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1)C(=O)[O-]	REAL300000553669	1	37	-3.0	-159.01	347.59	6.48	-152.53
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553670	1	45	-2.0	-112.58	382.87	6.18	-106.40
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC(C)=C1F	REAL300000553671	1	41	-2.0	-98.80	361.63	7.23	-91.57
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1)C(=O)[O-]	REAL300000553672	0	34	-3.0	-160.88	335.16	5.56	-155.32
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553673	0	44	-2.0	-112.61	379.14	7.11	-105.50
CC(OC1=CC=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553674	0	38	-2.0	-95.67	356.03	6.39	-89.28
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553674	1	37	-3.0	-164.56	349.30	6.50	-158.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1F	REAL300000553675	0	40	-3.0	-171.15	368.65	7.14	-164.01
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CN1	REAL300000553676	0	39	-2.0	-104.79	358.00	4.22	-100.57
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1)C(=O)[O-]	REAL300000553677	0	37	-3.0	-159.32	348.53	6.52	-152.80
CC(OC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1)C(=O)[O-]	REAL300000553678	0	38	-2.0	-105.48	358.20	6.84	-98.64
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1)C(=O)[O-]	REAL300000553678	1	37	-3.0	-157.15	355.39	6.83	-150.32
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553679	1	38	-2.0	-100.67	334.81	6.68	-93.99
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1C	REAL300000553680	1	44	-2.0	-101.37	385.14	7.06	-94.31
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CS1	REAL300000553681	0	38	-2.0	-103.46	361.70	5.55	-97.91
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1F	REAL300000553682	1	41	-2.0	-97.13	373.94	6.56	-90.57
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)S1	REAL300000553683	0	37	-2.0	-100.73	338.87	4.48	-96.25
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=C1)C(=O)[O-]	REAL300000553684	1	39	-2.0	-108.56	356.68	7.05	-101.51
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553685	0	43	-2.0	-93.23	373.07	8.28	-84.95
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1[O-]	REAL300000553686	1	43	-2.0	-103.08	379.90	2.84	-100.24
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553687	1	41	-2.0	-105.21	357.32	7.31	-97.90
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553688	1	38	-2.0	-101.01	342.25	6.60	-94.41
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553690	0	41	-2.0	-99.69	372.49	5.34	-94.35
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=C1)C(=O)[O-]	REAL300000553691	1	41	-2.0	-100.56	366.00	4.94	-95.62
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)=C1)C(=O)[O-]	REAL300000553692	1	46	-2.0	-103.04	392.05	7.14	-95.90
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C(F)C=C1F	REAL300000553693	0	38	-2.0	-100.40	346.81	6.65	-93.75
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1)C(=O)[O-]	REAL300000553694	1	41	-2.0	-111.70	355.64	8.20	-103.50
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1)C(=O)[O-]	REAL300000553695	0	37	-2.0	-101.93	346.42	5.35	-96.58
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1)C(=O)[O-]	REAL300000553696	0	38	-3.0	-171.02	352.78	4.16	-166.86
CC(OC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1)C(=O)[O-]	REAL300000553696	1	38	-3.0	-175.61	351.78	4.98	-170.63
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1)C(=O)[O-]	REAL300000553697	1	45	-2.0	-107.26	369.73	8.50	-98.76
CC(OC1=CC=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1)C(=O)[O-]	REAL300000553698	0	41	-2.0	-100.31	371.69	7.11	-93.20
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1)C(=O)[O-]	REAL300000553698	1	40	-3.0	-162.07	365.06	7.22	-154.85
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)O1	REAL300000553699	0	41	-2.0	-98.58	375.83	5.60	-92.98
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553700	0	37	-2.0	-94.21	349.23	6.62	-87.59
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553701	0	40	-2.0	-112.48	368.93	6.86	-105.62
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)=C1)C(=O)[O-]	REAL300000553702	0	38	-2.0	-111.60	357.17	6.57	-105.03
COC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)SC=C1	REAL300000553704	0	36	-2.0	-111.36	336.77	4.16	-107.20
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300000553705	0	41	-2.0	-103.56	369.60	7.08	-96.48
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1)C(=O)[O-]	REAL300000553706	0	38	-2.0	-106.13	344.19	6.27	-99.86
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC(OC(C)C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000553707	0	43	-2.0	-120.74	375.94	7.11	-113.63
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1F	REAL300000553708	0	40	-2.0	-101.77	368.45	7.24	-94.53
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553709	0	37	-2.0	-108.00	347.67	4.62	-103.38
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=C1)C(=O)[O-]	REAL300000553711	0	35	-2.0	-94.75	329.40	4.82	-89.93
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=C1)C(=O)[O-]	REAL300000553712	0	35	-2.0	-109.05	334.95	4.70	-104.35
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC(OC)=C1	REAL300000553713	0	43	-2.0	-107.00	373.41	4.48	-102.52
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1)C(=O)[O-]	REAL300000553714	0	36	-2.0	-108.44	330.26	4.61	-103.83
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1C	REAL300000553715	0	43	-2.0	-115.94	366.19	8.70	-107.24
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=C1)C(=O)[O-]	REAL300000553716	0	36	-2.0	-95.61	336.82	3.72	-91.89
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)S1	REAL300000553717	0	34	-2.0	-100.50	322.96	3.69	-96.81
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553718	1	40	-2.0	-94.87	362.40	7.36	-87.51
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553719	0	41	-2.0	-112.80	354.84	7.09	-105.71
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553719	1	40	-3.0	-171.36	353.11	7.10	-164.26
CC1=CC(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000553721	0	41	-2.0	-101.16	374.28	6.96	-94.20
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000553721	1	40	-3.0	-171.04	367.90	7.10	-163.94
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553722	0	41	-2.0	-96.96	357.87	6.79	-90.17
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553722	1	40	-3.0	-159.56	358.30	7.20	-152.36
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553723	0	41	-2.0	-111.04	373.36	6.96	-104.08
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)=C1)C(=O)[O-]	REAL300000553724	0	36	-2.0	-100.89	343.72	6.54	-94.35
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1F	REAL300000553725	0	38	-2.0	-103.06	346.62	6.65	-96.41
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000553726	0	41	-2.0	-94.15	369.95	6.62	-87.53
CC1=CC(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000553727	0	44	-2.0	-114.53	386.20	7.49	-107.04
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000553727	1	43	-3.0	-177.66	379.83	7.62	-170.04
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1)C(=O)[O-]	REAL300000553728	0	38	-2.0	-101.09	359.93	7.37	-93.72
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1CC	REAL300000553729	1	47	-2.0	-105.64	391.65	8.45	-97.19
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1F	REAL300000553731	1	40	-2.0	-94.49	367.64	7.20	-87.29
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1)C(=O)[O-]	REAL300000553732	0	34	-2.0	-101.22	333.58	5.33	-95.89
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(OC(C)C(=O)[O-])=CC=C2)=C1	REAL300000553733	0	41	-2.0	-112.11	360.04	6.25	-105.86
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=N1	REAL300000553734	0	40	-2.0	-96.17	365.34	4.72	-91.45
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1)C(=O)[O-]	REAL300000553735	0	34	-2.0	-93.89	340.04	5.06	-88.83
CC1=CC=C(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000553736	0	44	-2.0	-118.05	378.65	7.86	-110.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000553736	1	43	-3.0	-175.72	376.35	7.84	-167.88
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000553737	0	40	-3.0	-172.52	368.69	7.18	-165.34
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553738	0	40	-3.0	-180.21	367.93	7.13	-173.08
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553739	1	43	-2.0	-114.14	377.69	7.15	-106.99
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=N1	REAL300000553740	0	42	-2.0	-100.13	374.36	3.49	-96.64
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300000553741	0	40	-2.0	-108.82	364.74	6.71	-102.11
CCC1=CC=C(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000553742	0	44	-2.0	-120.31	383.67	7.53	-112.78
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000553742	1	43	-3.0	-176.65	377.17	7.62	-169.03
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1)C(=O)[O-]	REAL300000553743	0	46	-2.0	-101.99	391.77	4.42	-97.57
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1C#N	REAL300000553746	0	39	-2.0	-111.67	351.68	6.65	-105.02
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553747	0	41	-2.0	-101.65	365.41	6.36	-95.29
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=C1)C(=O)[O-]	REAL300000553748	0	44	-2.0	-103.63	387.42	7.52	-96.11
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553749	0	41	-2.0	-112.05	362.09	6.62	-105.43
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1)C(=O)[O-]	REAL300000553750	0	43	-2.0	-100.21	372.64	3.64	-96.57
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1F	REAL300000553751	0	38	-2.0	-109.11	340.24	6.58	-102.53
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=N1	REAL300000553752	0	41	-2.0	-97.76	363.65	3.49	-94.27
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1)C(=O)[O-]	REAL300000553753	0	42	-2.0	-113.26	360.21	5.90	-107.36
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553754	1	42	-2.0	-103.76	369.67	5.62	-98.14
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553755	0	40	-2.0	-106.42	353.70	2.86	-103.56
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1Cl	REAL300000553756	0	38	-2.0	-105.70	346.29	7.01	-98.69
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C(C)O1	REAL300000553758	0	38	-2.0	-102.10	337.58	5.46	-96.64
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=C1)C(=O)[O-]	REAL300000553759	0	41	-2.0	-108.68	360.69	3.53	-105.15
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCCC3=C2)=C1)C(=O)[O-]	REAL300000553760	1	43	-2.0	-104.21	368.30	6.52	-97.69
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553761	1	42	-2.0	-102.94	361.20	5.90	-97.04
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C(C(=O)OC)O1	REAL300000553762	0	44	-2.0	-98.36	391.59	6.30	-92.06
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553763	1	45	-2.0	-102.26	383.91	6.74	-95.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)O1	REAL300000553764	0	35	-2.0	-103.64	319.20	4.69	-98.95
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553765	0	38	-2.0	-104.27	347.39	6.27	-98.00
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1)C(=O)[O-]	REAL300000553766	1	38	-2.0	-101.30	340.47	4.54	-96.76
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000553767	0	43	-2.0	-118.95	368.06	7.63	-111.32
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1)C(=O)[O-]	REAL300000553768	0	41	-2.0	-111.12	363.73	7.88	-103.24
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553769	0	41	-2.0	-107.00	366.24	7.35	-99.65
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1)C(=O)[O-]	REAL300000553770	0	37	-2.0	-92.14	347.35	6.57	-85.57
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300000553771	0	35	-2.0	-95.68	337.58	6.45	-89.23
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C(C)O1	REAL300000553772	0	41	-2.0	-98.66	372.47	5.44	-93.22
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300000553773	0	34	-2.0	-95.78	326.37	4.58	-91.20
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)N=C1C	REAL300000553774	0	41	-2.0	-112.97	360.03	5.67	-107.30
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553775	0	38	-2.0	-105.34	349.14	7.11	-98.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000553776	0	41	-3.0	-172.08	371.19	6.66	-165.42
CCN1C=C(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000553776	1	42	-2.0	-111.59	373.72	6.62	-104.97
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553777	0	38	-2.0	-102.88	354.49	4.63	-98.25
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553778	0	47	-2.0	-104.32	390.57	6.45	-97.87
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CN1C	REAL300000553779	0	45	-2.0	-106.92	397.63	6.91	-100.01
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553780	1	43	-2.0	-99.07	376.71	7.93	-91.14
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1)C(=O)[O-]	REAL300000553781	0	35	-2.0	-108.11	330.48	6.67	-101.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(Cl)=N1	REAL300000553782	0	37	-2.0	-103.12	344.49	5.20	-97.92
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553783	0	40	-2.0	-102.48	363.65	6.07	-96.41
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)S1	REAL300000553784	0	37	-2.0	-100.20	344.44	4.45	-95.75
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(OC(C)C(=O)[O-])=C3)C=C12	REAL300000553785	0	42	-2.0	-94.69	375.84	3.60	-91.09
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)S1	REAL300000553786	0	37	-2.0	-99.30	353.89	6.26	-93.04
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CN=C1Cl	REAL300000553788	0	38	-2.0	-94.66	355.28	3.83	-90.83
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1)C(=O)[O-]	REAL300000553789	0	37	-2.0	-93.87	349.15	5.11	-88.76
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553790	0	41	-2.0	-100.99	375.79	6.61	-94.38
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553791	0	50	-2.0	-102.88	407.24	6.89	-95.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(C)=C1F	REAL300000553792	1	42	-2.0	-100.57	364.27	6.02	-94.55
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=C1)C(=O)[O-]	REAL300000553793	0	36	-2.0	-97.20	348.49	6.84	-90.36
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1)C(=O)[O-]	REAL300000553794	0	38	-2.0	-112.33	342.36	6.19	-106.14
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553795	0	40	-2.0	-100.40	364.57	4.74	-95.66
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1)C(=O)[O-]	REAL300000553796	0	32	-2.0	-98.11	318.98	4.60	-93.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000553797	1	43	-2.0	-101.75	373.52	7.83	-93.92
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553798	0	45	-2.0	-110.47	378.14	7.64	-102.83
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1)C(=O)[O-]	REAL300000553799	0	35	-2.0	-100.84	335.50	6.28	-94.56
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553803	0	35	-2.0	-97.62	343.58	6.11	-91.51
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1)C(=O)[O-]	REAL300000553804	1	38	-2.0	-104.35	346.62	6.75	-97.60
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1)C(=O)[O-]	REAL300000553805	0	38	-2.0	-101.18	353.68	4.73	-96.45
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553806	0	39	-2.0	-109.76	350.68	6.95	-102.81
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1)C(=O)[O-]	REAL300000553807	0	43	-2.0	-99.15	383.87	7.16	-91.99
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(OC(C)C(=O)[O-])=CC=C1	REAL300000553808	1	44	-2.0	-105.95	368.43	7.86	-98.09
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(C)=CS1	REAL300000553809	0	41	-2.0	-112.75	369.92	7.09	-105.66
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1F	REAL300000553810	1	39	-2.0	-97.40	350.34	5.25	-92.15
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1)C(=O)[O-]	REAL300000553811	0	34	-2.0	-109.26	327.30	6.29	-102.97
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CO2)=C1)C(=O)[O-]	REAL300000553812	0	32	-2.0	-102.48	297.11	3.85	-98.63
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=NN2C)=C1)C(=O)[O-]	REAL300000553813	0	34	-2.0	-93.71	309.01	2.29	-91.42
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=C1)C(=O)[O-]	REAL300000553814	0	40	-2.0	-99.51	358.96	5.00	-94.51
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553815	0	34	-2.0	-95.82	335.60	5.64	-90.18
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553817	1	43	-2.0	-105.23	381.65	4.12	-101.11
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1)C(=O)[O-]	REAL300000553818	0	39	-2.0	-106.43	342.58	5.32	-101.11
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=C1)C(=O)[O-]	REAL300000553819	0	36	-2.0	-100.25	348.35	6.83	-93.42
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1)C(=O)[O-]	REAL300000553820	0	38	-2.0	-102.59	358.39	4.94	-97.65
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553821	1	41	-2.0	-102.20	344.85	7.59	-94.61
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553822	0	43	-2.0	-116.85	368.57	6.39	-110.46
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553824	0	38	-2.0	-107.84	334.16	6.86	-100.98
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1)C(=O)[O-]	REAL300000553825	0	39	-2.0	-116.42	353.00	5.95	-110.47
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553826	0	48	-2.0	-102.96	405.71	7.39	-95.57
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC(OC(C)C(=O)[O-])=C3)C=CC=C12	REAL300000553827	0	43	-2.0	-118.96	372.31	7.05	-111.91
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)=C1)C(=O)[O-]	REAL300000553829	1	39	-2.0	-107.30	365.67	3.16	-104.14
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1)C(=O)[O-]	REAL300000553830	0	36	-2.0	-110.24	339.37	4.18	-106.06
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553831	0	38	-2.0	-100.97	339.02	3.35	-97.62
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1)OCO2	REAL300000553833	1	41	-2.0	-101.17	355.68	5.34	-95.83
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553835	0	41	-2.0	-103.72	364.62	7.07	-96.65
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)=C1)C(=O)[O-]	REAL300000553836	1	45	-2.0	-103.34	386.61	5.78	-97.56
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553837	0	44	-2.0	-116.11	381.70	8.19	-107.92
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)S1	REAL300000553839	0	38	-2.0	-108.00	359.39	3.36	-104.64
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)S1	REAL300000553839	1	37	-3.0	-166.20	356.09	2.24	-163.96
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1F	REAL300000553840	1	42	-2.0	-103.96	376.40	4.96	-99.00
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=C1)C(=O)[O-]	REAL300000553841	1	39	-2.0	-108.60	347.30	7.13	-101.47
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=C1)C(=O)[O-]	REAL300000553842	1	39	-2.0	-108.39	356.87	7.05	-101.34
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1)C(=O)[O-]	REAL300000553843	0	35	-2.0	-98.13	344.46	6.96	-91.17
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(N)=NO1	REAL300000553845	0	36	-2.0	-95.13	321.04	3.28	-91.85
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553846	0	39	-2.0	-106.62	359.41	6.19	-100.43
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1)C(=O)[O-]	REAL300000553847	0	36	-2.0	-99.75	341.93	4.64	-95.11
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553850	1	42	-2.0	-105.65	359.39	5.95	-99.70
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1Cl	REAL300000553851	1	42	-2.0	-100.67	374.99	6.51	-94.16
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=C1)C(=O)[O-]	REAL300000553853	0	33	-2.0	-95.27	327.10	5.44	-89.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=N1	REAL300000553854	0	37	-2.0	-101.26	331.03	4.70	-96.56
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1)C(=O)[O-]	REAL300000553855	0	40	-2.0	-103.96	355.79	6.25	-97.71
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(F)=C1	REAL300000553856	0	41	-2.0	-102.72	374.68	6.60	-96.12
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1F	REAL300000553857	0	41	-2.0	-98.24	373.75	6.56	-91.68
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1C#N	REAL300000553858	1	39	-2.0	-96.87	354.39	6.76	-90.11
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1)C(=O)[O-]	REAL300000553859	0	34	-2.0	-90.89	332.34	4.56	-86.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(F)=C1	REAL300000553861	0	39	-2.0	-105.56	349.59	5.25	-100.31
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1[N+](=O)[O-]	REAL300000553862	0	43	-2.0	-114.39	375.21	9.06	-105.33
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1)C(=O)[O-]	REAL300000553864	1	38	-2.0	-102.54	348.60	6.81	-95.73
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1)C(=O)[O-]	REAL300000553865	1	45	-2.0	-108.51	388.63	9.30	-99.21
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)N(C)N=C1	REAL300000553867	0	38	-2.0	-97.63	331.48	4.35	-93.28
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=C1)C(=O)[O-]	REAL300000553869	0	33	-2.0	-96.06	318.54	4.42	-91.64
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CSC=C2)=C1)C(=O)[O-]	REAL300000553870	0	32	-2.0	-100.50	305.71	4.79	-95.71
CC(OC1=CC=CC([N-]S(=O)(=O)C2=COC=C2)=C1)C(=O)[O-]	REAL300000553871	0	32	-2.0	-101.18	297.14	3.76	-97.42
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553872	0	46	-2.0	-111.66	397.75	5.39	-106.27
CC1=CC(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000553873	0	41	-2.0	-107.08	362.18	6.98	-100.10
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000553873	1	40	-3.0	-159.65	359.04	6.99	-152.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=N1	REAL300000553874	0	38	-2.0	-97.69	341.61	2.55	-95.14
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1)C(=O)[O-]	REAL300000553875	0	35	-2.0	-103.22	336.83	6.47	-96.75
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553877	0	46	-2.0	-102.69	392.27	6.96	-95.73
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553878	0	44	-2.0	-105.49	392.13	8.66	-96.83
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC(OC(C)C(=O)[O-])=CC=C2)=C1	REAL300000553879	0	44	-2.0	-105.13	387.96	8.37	-96.76
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C1)C(=O)[O-]	REAL300000553880	0	38	-2.0	-105.50	351.15	7.24	-98.26
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)N(C)N=C1	REAL300000553881	0	44	-2.0	-103.85	385.53	5.87	-97.98
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=C1)C(=O)[O-]	REAL300000553882	0	46	-2.0	-115.42	392.47	7.08	-108.34
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1)C(=O)[O-]	REAL300000553883	0	38	-2.0	-108.23	341.21	4.51	-103.72
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553884	1	42	-2.0	-106.36	365.78	6.10	-100.26
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1)C(=O)[O-]	REAL300000553885	0	35	-2.0	-104.31	336.77	6.73	-97.58
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553886	1	41	-2.0	-128.10	359.01	3.47	-124.63
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(OC(C)C(=O)[O-])=C3)C=C2C=C1	REAL300000553887	1	44	-2.0	-106.51	381.73	8.81	-97.70
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1)C(=O)[O-]	REAL300000553888	0	32	-2.0	-102.38	322.41	5.32	-97.06
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553889	0	35	-2.0	-102.50	328.17	5.55	-96.95
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1)C(=O)[O-]	REAL300000553890	0	32	-2.0	-99.85	312.90	2.69	-97.16
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1)C(=O)[O-]	REAL300000553891	0	34	-2.0	-98.84	321.50	3.99	-94.85
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553892	0	44	-2.0	-99.18	379.11	4.94	-94.24
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=N1	REAL300000553893	0	44	-2.0	-98.17	383.61	4.43	-93.74
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC3CC3)C=C2)=C1)C(=O)[O-]	REAL300000553894	1	43	-2.0	-102.04	375.16	6.85	-95.19
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1)C(=O)[O-]	REAL300000553895	0	38	-2.0	-100.64	350.78	6.35	-94.29
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553896	0	40	-2.0	-111.86	362.13	4.89	-106.97
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553897	0	34	-2.0	-97.05	322.92	4.17	-92.88
CC(OC1=CC=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1)C(=O)[O-]	REAL300000553899	1	39	-2.0	-128.82	345.78	3.14	-125.68
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1)C(=O)[O-]	REAL300000553900	1	42	-2.0	-103.73	363.65	7.98	-95.75
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1)C(=O)[O-]	REAL300000553901	0	32	-2.0	-104.43	312.71	4.91	-99.52
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=C1)C(=O)[O-]	REAL300000553902	0	38	-2.0	-103.48	353.07	4.72	-98.76
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1)C(=O)[O-]	REAL300000553903	1	44	-2.0	-103.07	379.26	7.47	-95.60
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=C1)C(=O)[O-]	REAL300000553904	1	36	-2.0	-94.65	341.31	6.32	-88.33
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000553907	0	40	-2.0	-96.31	366.74	7.24	-89.07
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553908	0	41	-2.0	-108.14	364.90	7.25	-100.89
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553908	1	40	-3.0	-170.16	362.43	7.27	-162.89
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1)C(=O)[O-]	REAL300000553909	0	36	-2.0	-101.95	347.32	5.16	-96.79
CC(OC1=CC=CC([N-]S(=O)(=O)N=S(C)(C)=O)=C1)C(=O)[O-]	REAL300000553911	1	35	-2.0	-127.05	319.96	1.83	-125.22
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1)C(=O)[O-]	REAL300000553912	0	35	-2.0	-95.43	347.00	6.07	-89.36
CC(OC1=CC=CC([N-]S(=O)(=O)C2=NC=CN2)=C1)C(=O)[O-]	REAL300000553913	0	32	-2.0	-106.32	296.22	2.46	-103.86
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1)C(=O)[O-]	REAL300000553914	0	40	-2.0	-108.82	351.42	2.79	-106.03
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)S1	REAL300000553915	0	38	-2.0	-103.86	344.16	6.51	-97.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CN=C1C	REAL300000553916	0	43	-2.0	-96.58	380.57	5.21	-91.37
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000553917	0	36	-2.0	-93.49	337.82	4.73	-88.76
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553918	0	37	-2.0	-95.14	342.15	5.26	-89.88
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553919	1	44	-2.0	-109.66	391.56	7.32	-102.34
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1)C(=O)[O-]	REAL300000553920	1	37	-2.0	-94.62	354.35	5.75	-88.87
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=NN1C	REAL300000553924	0	38	-2.0	-102.21	335.24	4.11	-98.10
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000553925	1	39	-2.0	-104.33	345.52	6.96	-97.37
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553926	0	38	-2.0	-102.27	337.99	4.24	-98.03
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553927	1	42	-2.0	-101.27	386.40	6.11	-95.16
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=C1)C(=O)[O-]	REAL300000553928	0	35	-2.0	-94.98	330.29	4.47	-90.51
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=C1)C(=O)[O-]	REAL300000553930	1	40	-2.0	-101.83	361.03	3.08	-98.75
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1)C(=O)[O-]	REAL300000553932	0	35	-2.0	-100.72	330.28	3.40	-97.32
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300000553933	0	41	-2.0	-98.61	360.90	5.81	-92.80
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1)C(=O)[O-]	REAL300000553935	1	42	-2.0	-108.80	370.60	5.63	-103.17
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=C1)C(=O)[O-]	REAL300000553936	0	38	-2.0	-100.04	351.66	3.44	-96.60
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1Cl	REAL300000553937	1	39	-2.0	-97.96	360.14	5.74	-92.22
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)=C1)C(=O)[O-]	REAL300000553938	0	39	-2.0	-111.78	366.02	2.51	-109.27
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1)C(=O)[O-]	REAL300000553939	0	37	-3.0	-179.27	346.55	6.48	-172.79
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1)C(=O)[O-]	REAL300000553940	0	32	-2.0	-107.54	313.93	3.89	-103.65
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1)C(=O)[O-]	REAL300000553941	0	37	-2.0	-113.87	345.62	5.30	-108.57
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1)C(=O)[O-]	REAL300000553942	1	40	-2.0	-106.63	350.23	5.72	-100.91
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1)C(=O)[O-]	REAL300000553944	0	41	-2.0	-111.54	364.95	8.18	-103.36
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553945	0	38	-2.0	-104.64	341.70	7.37	-97.27
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1)C(=O)[O-]	REAL300000553946	0	40	-2.0	-113.23	350.74	5.69	-107.54
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(F)=C1	REAL300000553952	0	38	-2.0	-110.15	344.34	6.82	-103.33
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1)C(=O)[O-]	REAL300000553953	0	34	-2.0	-96.44	339.64	5.07	-91.37
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=C1)C(=O)[O-]	REAL300000553954	1	40	-2.0	-103.91	358.46	4.33	-99.58
CC(OC1=CC=CC([N-]S(=O)(=O)N=S(C)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300000553955	1	42	-2.0	-125.09	376.60	4.59	-120.50
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000553956	0	41	-2.0	-105.33	374.83	7.01	-98.32
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000553956	1	40	-3.0	-165.41	367.72	7.11	-158.30
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553958	0	39	-2.0	-106.85	349.09	5.71	-101.14
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000553959	1	43	-2.0	-102.82	377.03	7.71	-95.11
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1Cl	REAL300000553961	0	38	-2.0	-95.06	357.86	3.11	-91.95
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553962	0	34	-2.0	-95.26	313.36	3.78	-91.48
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CC=C1Cl	REAL300000553963	1	38	-2.0	-98.83	350.08	6.98	-91.85
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1)C(=O)[O-]	REAL300000553964	1	41	-2.0	-113.00	362.69	6.87	-106.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C([N+](=O)[O-])S1	REAL300000553965	0	37	-2.0	-109.25	349.18	7.08	-102.17
CC(OC1=CC=CC([N-]S(=O)(=O)N=S(C)(=O)N(C)C)=C1)C(=O)[O-]	REAL300000553966	1	40	-2.0	-117.95	356.18	1.91	-116.04
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1)C(=O)[O-]	REAL300000553967	1	38	-2.0	-98.93	356.43	4.07	-94.86
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1)C(=O)[O-]	REAL300000553968	0	34	-2.0	-106.14	315.10	4.06	-102.08
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1)C(=O)[O-]	REAL300000553971	0	34	-2.0	-94.47	315.84	4.01	-90.46
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=C1)C(=O)[O-]	REAL300000553973	0	33	-2.0	-106.52	325.01	5.28	-101.24
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1)C(=O)[O-]	REAL300000553976	1	35	-2.0	-95.32	337.20	6.44	-88.88
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1)C(=O)[O-]	REAL300000553977	0	44	-2.0	-110.68	376.27	6.23	-104.45
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1)C(=O)[O-]	REAL300000553978	0	43	-2.0	-112.70	366.62	7.07	-105.63
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000553979	0	45	-2.0	-104.38	391.20	4.84	-99.54
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553985	1	42	-2.0	-113.57	370.36	3.30	-110.27
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(=O)NC2=O)=C1)C(=O)[O-]	REAL300000553986	1	38	-2.0	-107.26	343.01	2.57	-104.69
CC(C)OC1(CS(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)CCOC1	REAL300000553987	1	49	-2.0	-103.51	390.84	4.86	-98.65
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)N(C)N=C1	REAL300000553988	0	41	-2.0	-103.68	363.83	4.96	-98.72
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)N1C	REAL300000553991	0	38	-2.0	-102.01	332.74	4.90	-97.11
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000553992	1	48	-2.0	-106.91	404.52	7.55	-99.36
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1F	REAL300000553995	0	40	-2.0	-108.60	360.71	8.03	-100.57
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CN1CC1CC1	REAL300000553996	0	48	-2.0	-114.73	413.47	7.83	-106.90
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)O1	REAL300000553997	0	41	-2.0	-99.15	372.04	5.25	-93.90
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1)C(=O)[O-]	REAL300000553998	0	38	-2.0	-101.04	354.34	5.38	-95.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(C)=C1[N+](=O)[O-]	REAL300000553999	1	43	-2.0	-100.07	378.05	8.21	-91.86
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=C1)C(=O)[O-]	REAL300000554000	0	38	-2.0	-91.57	356.21	4.50	-87.07
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1)C(=O)[O-]	REAL300000554001	0	34	-2.0	-99.52	331.95	4.48	-95.04
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1)C(=O)[O-]	REAL300000554002	1	45	-2.0	-114.33	380.53	9.27	-105.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(F)=C1F	REAL300000554004	0	38	-2.0	-106.36	346.73	6.65	-99.71
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)OC=C1	REAL300000554005	0	38	-2.0	-111.86	350.69	4.91	-106.95
CC(OC1=CC=CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1)C(=O)[O-]	REAL300000554007	0	37	-2.0	-115.91	342.79	4.77	-111.14
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(C)=N1	REAL300000554008	0	47	-2.0	-101.82	402.34	6.63	-95.19
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1)C(=O)[O-]	REAL300000554009	0	36	-3.0	-167.91	340.05	4.50	-163.41
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554010	0	39	-2.0	-102.64	347.34	6.02	-96.62
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=C1)C(=O)[O-]	REAL300000554011	1	47	-2.0	-100.99	392.83	8.14	-92.85
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=C1)C(=O)[O-]	REAL300000554012	0	36	-2.0	-95.41	341.85	6.33	-89.08
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=C1)C(=O)[O-]	REAL300000554013	0	38	-2.0	-98.77	347.56	4.51	-94.26
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1)C(=O)[O-]	REAL300000554014	0	37	-2.0	-114.80	337.77	5.07	-109.73
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1)C(=O)[O-]	REAL300000554014	1	37	-2.0	-102.47	337.88	4.92	-97.55
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1)C(=O)[O-]	REAL300000554015	0	39	-2.0	-110.68	348.17	5.83	-104.85
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=C1)C(=O)[O-]	REAL300000554016	0	45	-2.0	-101.10	375.41	5.99	-95.11
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=C1)C(=O)[O-]	REAL300000554017	0	47	-2.0	-100.74	382.61	6.48	-94.26
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1)C(=O)[O-]	REAL300000554019	0	45	-2.0	-101.64	381.86	6.23	-95.41
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)=C1)C(=O)[O-]	REAL300000554020	0	38	-2.0	-95.51	348.92	4.78	-90.73
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1)C(=O)[O-]	REAL300000554022	0	36	-2.0	-101.33	330.62	3.63	-97.70
CC(OC1=CC=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1)C(=O)[O-]	REAL300000554022	1	36	-2.0	-97.61	329.96	4.45	-93.16
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000554023	1	45	-2.0	-103.40	391.63	8.66	-94.74
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554024	0	38	-2.0	-116.19	345.58	3.54	-112.65
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554025	0	41	-2.0	-101.95	357.40	5.05	-96.90
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1F	REAL300000554026	0	40	-2.0	-103.12	360.21	6.37	-96.75
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C1)C(=O)[O-]	REAL300000554027	0	35	-2.0	-97.13	319.63	3.22	-93.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(C#N)=C1	REAL300000554028	0	39	-2.0	-109.61	353.93	6.81	-102.80
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554029	0	39	-2.0	-109.11	345.37	7.09	-102.02
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1)C(=O)[O-]	REAL300000554030	1	38	-2.0	-98.12	351.28	6.78	-91.34
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=C1)C(=O)[O-]	REAL300000554032	1	42	-2.0	-107.21	378.17	7.83	-99.38
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554033	1	41	-2.0	-98.04	361.74	8.12	-89.92
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000554034	0	35	-2.0	-94.69	333.85	1.68	-93.01
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=NS2)=C1)C(=O)[O-]	REAL300000554036	0	31	-2.0	-96.75	301.17	3.58	-93.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554039	0	41	-3.0	-164.16	371.25	6.25	-157.91
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554039	1	42	-2.0	-106.57	373.80	6.23	-100.34
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C(C(N)=O)O1	REAL300000554040	0	39	-2.0	-102.26	353.96	1.49	-100.77
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554041	1	44	-2.0	-103.37	366.33	8.37	-95.00
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1)C(=O)[O-]	REAL300000554042	0	35	-2.0	-98.81	335.45	5.82	-92.99
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000554044	0	34	-3.0	-159.28	343.04	5.42	-153.86
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1)C(=O)[O-]	REAL300000554045	0	40	-2.0	-111.83	350.68	6.38	-105.45
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000554046	0	42	-2.0	-108.48	377.33	6.00	-102.48
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C1)C(=O)[O-]	REAL300000554047	0	36	-2.0	-106.15	340.39	6.31	-99.84
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=N2)=C1)C(=O)[O-]	REAL300000554048	0	34	-2.0	-108.96	313.38	2.20	-106.76
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1)C(=O)[O-]	REAL300000554049	0	42	-2.0	-101.61	364.33	5.55	-96.06
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1)C(=O)[O-]	REAL300000554050	0	42	-2.0	-100.46	361.31	5.74	-94.72
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1)C(=O)[O-]	REAL300000554051	0	45	-2.0	-99.88	383.98	6.39	-93.49
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=C1)C(=O)[O-]	REAL300000554052	0	46	-2.0	-108.82	389.65	3.89	-104.93
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=C1)C(=O)[O-]	REAL300000554053	1	41	-2.0	-100.97	365.33	3.11	-97.86
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1)C(=O)[O-]	REAL300000554054	0	32	-2.0	-102.18	318.53	4.47	-97.71
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1F	REAL300000554055	1	39	-2.0	-94.40	360.47	5.43	-88.97
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1)C(=O)[O-]	REAL300000554056	0	42	-2.0	-104.23	357.54	5.95	-98.28
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1F	REAL300000554057	0	39	-2.0	-101.41	355.80	5.31	-96.10
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554058	0	45	-2.0	-108.36	388.66	7.26	-101.10
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554059	0	38	-2.0	-100.20	338.03	6.56	-93.64
CC(OC1=CC([N-]S(=O)(=O)C2=C3OC(C)CC3=CC=C2)=CC=C1)C(=O)[O-]	REAL300000554060	0	43	-2.0	-114.01	372.01	6.48	-107.53
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=C1)C(=O)[O-]	REAL300000554061	0	43	-2.0	-101.22	383.27	5.54	-95.68
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=C1)C(=O)[O-]	REAL300000554062	1	43	-2.0	-105.59	382.69	8.08	-97.51
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554063	0	39	-2.0	-105.56	354.56	6.49	-99.07
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1)C(=O)[O-]	REAL300000554064	0	32	-2.0	-101.02	319.88	5.31	-95.71
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1)C(=O)[O-]	REAL300000554065	0	37	-2.0	-94.67	348.58	5.06	-89.61
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554066	0	40	-2.0	-117.93	356.35	5.48	-112.45
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554067	0	37	-2.0	-92.72	328.35	3.20	-89.52
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1)C(=O)[O-]	REAL300000554069	1	36	-2.0	-93.52	329.48	4.67	-88.85
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1)C(=O)[O-]	REAL300000554070	0	38	-2.0	-105.71	353.45	7.31	-98.40
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1)C(=O)[O-]	REAL300000554071	0	38	-2.0	-116.73	359.51	5.59	-111.14
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=C1)C(=O)[O-]	REAL300000554072	0	42	-2.0	-98.26	365.53	5.65	-92.61
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(C)=C1F	REAL300000554073	1	44	-2.0	-101.83	370.64	8.29	-93.54
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1OC	REAL300000554074	0	43	-2.0	-107.29	370.31	5.80	-101.49
CC(OC1=CC=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1)C(=O)[O-]	REAL300000554075	0	38	-2.0	-106.05	344.20	6.16	-99.89
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1OC	REAL300000554076	0	43	-2.0	-110.75	377.56	6.14	-104.61
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)=C1)C(=O)[O-]	REAL300000554077	0	48	-2.0	-105.44	403.22	6.78	-98.66
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=C1)C(=O)[O-]	REAL300000554078	0	42	-2.0	-104.54	369.90	5.81	-98.73
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1)C(=O)[O-]	REAL300000554079	1	39	-2.0	-103.58	353.85	5.47	-98.11
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1)C(=O)[O-]	REAL300000554080	0	38	-2.0	-111.08	343.86	5.08	-106.00
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=C1)C(=O)[O-]	REAL300000554081	0	40	-2.0	-120.44	359.15	4.28	-116.16
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=C1)C(=O)[O-]	REAL300000554082	0	42	-2.0	-104.31	355.05	7.85	-96.46
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=CN=C1N	REAL300000554083	1	39	-2.0	-103.57	342.43	3.58	-99.99
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554084	0	35	-2.0	-101.35	331.74	1.74	-99.61
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)N=CN1	REAL300000554085	0	35	-2.0	-112.63	313.52	3.96	-108.67
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1)C(=O)[O-]	REAL300000554087	0	38	-2.0	-102.04	348.14	6.26	-95.78
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=C1)C(=O)[O-]	REAL300000554088	0	45	-2.0	-104.74	385.97	6.27	-98.47
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1)C(=O)[O-]	REAL300000554089	0	32	-2.0	-100.64	320.27	5.41	-95.23
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1)C(=O)[O-]	REAL300000554090	0	45	-2.0	-102.52	388.58	6.52	-96.00
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1)C(=O)[O-]	REAL300000554091	0	39	-2.0	-107.85	352.57	6.98	-100.87
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000554092	1	44	-2.0	-105.32	378.99	8.10	-97.22
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000554093	0	41	-2.0	-96.05	369.88	4.29	-91.76
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=C1)C(=O)[O-]	REAL300000554094	0	36	-2.0	-105.51	339.10	6.23	-99.28
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=C1)C(=O)[O-]	REAL300000554095	0	42	-2.0	-101.67	359.27	5.46	-96.21
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554097	1	41	-2.0	-103.75	344.50	7.58	-96.17
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=C1)C(=O)[O-]	REAL300000554098	0	44	-2.0	-96.37	361.39	5.76	-90.61
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=C1)C(=O)[O-]	REAL300000554099	0	44	-2.0	-102.65	378.93	5.59	-97.06
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1)C(=O)[O-]	REAL300000554100	0	42	-2.0	-102.00	362.95	4.99	-97.01
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=C1)C(=O)[O-]	REAL300000554101	0	46	-2.0	-101.15	388.70	6.67	-94.48
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1)C(=O)[O-]	REAL300000554102	1	38	-2.0	-103.24	342.59	6.71	-96.53
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1)C(=O)[O-]	REAL300000554103	0	35	-2.0	-102.05	336.10	6.27	-95.78
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1)C(=O)[O-]	REAL300000554104	0	35	-2.0	-96.16	346.35	6.00	-90.16
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000554105	0	38	-2.0	-97.72	336.78	4.10	-93.62
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1C	REAL300000554107	1	41	-2.0	-104.60	346.92	7.17	-97.43
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1)C(=O)[O-]	REAL300000554108	0	38	-2.0	-102.54	342.89	6.91	-95.63
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000554109	1	46	-2.0	-113.64	399.18	7.92	-105.72
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000554111	1	44	-2.0	-104.40	392.85	7.53	-96.87
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=C1)C(=O)[O-]	REAL300000554112	0	36	-2.0	-102.97	347.04	6.72	-96.25
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1)C(=O)[O-]	REAL300000554113	0	35	-2.0	-102.98	334.43	6.10	-96.88
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1)C(=O)[O-]	REAL300000554114	1	42	-2.0	-105.38	363.64	7.97	-97.41
COC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=CS1	REAL300000554115	0	36	-2.0	-107.19	336.69	4.32	-102.87
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000554116	0	41	-2.0	-99.44	380.78	6.23	-93.21
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1)C(=O)[O-]	REAL300000554117	0	42	-2.0	-106.81	369.32	8.05	-98.76
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1)C(=O)[O-]	REAL300000554118	0	45	-2.0	-99.45	379.42	6.49	-92.96
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554119	0	44	-2.0	-98.68	374.55	5.79	-92.89
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1	REAL300000554120	1	44	-2.0	-109.97	385.68	3.44	-106.53
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=C1)C(=O)[O-]	REAL300000554122	0	40	-2.0	-113.24	358.20	4.24	-109.00
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)O1	REAL300000554123	0	38	-2.0	-103.51	340.68	5.48	-98.03
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1)C(=O)[O-]	REAL300000554124	0	35	-2.0	-96.70	338.28	5.08	-91.62
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554125	0	39	-2.0	-99.87	355.38	5.78	-94.09
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=C1)C(=O)[O-]	REAL300000554126	1	41	-2.0	-104.22	367.65	7.42	-96.80
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1)C(=O)[O-]	REAL300000554127	1	39	-2.0	-103.58	353.68	5.46	-98.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)S1	REAL300000554128	0	36	-2.0	-100.70	338.21	4.33	-96.37
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1)C(=O)[O-]	REAL300000554130	0	38	-2.0	-99.26	347.10	4.58	-94.68
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000554131	1	45	-2.0	-105.93	391.53	6.57	-99.36
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1)C(=O)[O-]	REAL300000554132	0	48	-2.0	-101.30	400.99	6.82	-94.48
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1)C(=O)[O-]	REAL300000554133	1	38	-2.0	-105.53	335.12	6.85	-98.68
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1)C(=O)[O-]	REAL300000554134	0	38	-2.0	-109.02	341.42	6.22	-102.80
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1)C(=O)[O-]	REAL300000554135	1	37	-2.0	-105.47	345.37	5.28	-100.19
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=N1	REAL300000554136	0	37	-2.0	-101.66	335.31	2.75	-98.91
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1Cl	REAL300000554137	0	38	-2.0	-99.31	356.12	4.79	-94.52
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1)C(=O)[O-]	REAL300000554138	0	32	-2.0	-97.77	314.35	4.49	-93.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000554139	1	44	-2.0	-112.30	373.19	8.72	-103.58
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCF)C=C2)=C1)C(=O)[O-]	REAL300000554140	1	42	-2.0	-104.27	372.36	6.24	-98.03
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1)C(=O)[O-]	REAL300000554141	0	35	-2.0	-98.78	342.12	6.50	-92.28
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1)C(=O)[O-]	REAL300000554143	0	39	-2.0	-103.74	358.25	7.20	-96.54
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000554144	0	38	-2.0	-94.34	360.07	6.70	-87.64
CC1=COC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000554146	0	35	-2.0	-102.86	319.19	4.55	-98.31
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=NN1	REAL300000554147	0	41	-2.0	-101.95	374.96	3.67	-98.28
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1OC	REAL300000554148	0	40	-2.0	-103.32	364.68	4.39	-98.93
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1)C(=O)[O-]	REAL300000554149	0	34	-2.0	-90.65	332.23	4.52	-86.13
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=C1)C(=O)[O-]	REAL300000554150	0	41	-2.0	-102.32	359.00	5.83	-96.49
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=C1)C(=O)[O-]	REAL300000554151	1	42	-2.0	-110.36	368.14	7.64	-102.72
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1)C(=O)[O-]	REAL300000554152	0	32	-2.0	-93.45	339.67	5.98	-87.47
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=C1)C(=O)[O-]	REAL300000554153	0	35	-2.0	-98.96	334.31	3.93	-95.03
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=C1)C(=O)[O-]	REAL300000554154	1	40	-2.0	-101.51	367.23	6.56	-94.95
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=C1)C(=O)[O-]	REAL300000554155	0	41	-2.0	-114.45	352.25	7.71	-106.74
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C1)C(=O)[O-]	REAL300000554156	0	33	-2.0	-104.46	316.47	4.35	-100.11
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554157	0	37	-2.0	-95.13	342.34	5.28	-89.85
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000554158	1	46	-2.0	-107.16	398.27	7.51	-99.65
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000554159	0	45	-2.0	-104.69	391.43	6.67	-98.02
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000554160	0	39	-2.0	-108.79	352.51	5.23	-103.56
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(=O)NC(=O)N1	REAL300000554161	1	38	-2.0	-106.11	337.92	1.85	-104.26
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000554163	0	48	-2.0	-100.58	401.37	7.03	-93.55
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1)C(=O)[O-]	REAL300000554164	0	32	-2.0	-100.29	313.21	4.39	-95.90
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1)C(=O)[O-]	REAL300000554165	0	32	-2.0	-97.90	323.24	5.39	-92.51
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=C1)C(=O)[O-]	REAL300000554166	0	43	-2.0	-99.48	366.88	3.62	-95.86
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1)C(=O)[O-]	REAL300000554167	1	42	-2.0	-106.81	358.15	8.05	-98.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C(C)=N1	REAL300000554170	1	41	-2.0	-97.61	357.27	3.30	-94.31
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554171	0	41	-2.0	-107.71	361.83	3.68	-104.03
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554172	0	38	-2.0	-101.74	357.12	3.55	-98.19
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C	REAL300000554173	0	41	-2.0	-98.92	361.91	3.29	-95.63
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=N1	REAL300000554174	0	44	-2.0	-101.73	377.55	6.03	-95.70
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554175	0	44	-2.0	-102.62	378.02	5.60	-97.02
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1)C(=O)[O-]	REAL300000554176	0	34	-2.0	-102.81	342.25	3.82	-98.99
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C1)C(=O)[O-]	REAL300000554177	0	33	-2.0	-103.40	317.39	4.28	-99.12
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C1)C(=O)[O-]	REAL300000554178	0	33	-2.0	-104.00	326.48	5.20	-98.80
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(OC(C)C(=O)[O-])=CC=C1	REAL300000554179	0	41	-2.0	-98.17	356.33	5.15	-93.02
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C1C	REAL300000554180	0	43	-2.0	-96.97	381.82	5.28	-91.69
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])=C1)C(=O)[O-]	REAL300000554181	0	38	-2.0	-108.42	356.86	7.73	-100.69
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1)C(=O)[O-]	REAL300000554182	0	42	-2.0	-98.55	366.65	5.99	-92.56
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300000554183	0	42	-2.0	-103.84	366.55	7.11	-96.73
COC1=NOC(CS(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000554184	1	38	-2.0	-98.64	345.48	2.22	-96.42
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=NN1C(C)C	REAL300000554185	0	44	-2.0	-102.88	379.08	5.62	-97.26
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1)C(=O)[O-]	REAL300000554186	1	42	-2.0	-110.71	374.41	8.09	-102.62
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1)C(=O)[O-]	REAL300000554187	0	37	-2.0	-98.36	341.79	4.90	-93.46
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1)C(=O)[O-]	REAL300000554189	1	42	-2.0	-104.33	376.13	8.11	-96.22
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1)C(=O)[O-]	REAL300000554190	0	39	-2.0	-105.36	364.88	6.33	-99.03
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1)C(=O)[O-]	REAL300000554191	1	36	-2.0	-104.89	325.63	3.02	-101.87
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554192	1	44	-2.0	-108.35	379.55	7.55	-100.80
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1)C(=O)[O-]	REAL300000554193	0	38	-2.0	-112.36	354.27	6.88	-105.48
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CSN=C2)=C1)C(=O)[O-]	REAL300000554194	0	31	-2.0	-95.27	300.25	3.48	-91.79
CC(OC1=CC=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1)C(=O)[O-]	REAL300000554195	0	39	-2.0	-112.93	362.49	5.15	-107.78
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1)C(=O)[O-]	REAL300000554196	1	42	-2.0	-110.46	370.25	8.16	-102.30
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554197	0	40	-2.0	-110.21	355.39	5.47	-104.74
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000554198	0	41	-2.0	-119.23	367.69	7.41	-111.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000554199	0	43	-2.0	-119.60	372.33	7.05	-112.55
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000554200	0	40	-3.0	-164.92	365.02	6.43	-158.49
CCC1=C(S(=O)(=O)NC2=CC=CC(OC(C)C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000554200	1	41	-2.0	-101.00	367.68	5.86	-95.14
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000554201	0	48	-2.0	-112.63	404.09	7.89	-104.74
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)C=C(Cl)S1	REAL300000554202	0	35	-2.0	-96.96	339.70	6.26	-90.70
CC(OC1=CC=CC([N-]S(=O)(=O)C2=CN=CS2)=C1)C(=O)[O-]	REAL300000554203	0	31	-2.0	-99.33	301.02	2.98	-96.35
CC(OC1=CC=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1)C(=O)[O-]	REAL300000554204	0	42	-2.0	-103.76	360.15	5.18	-98.58
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC(C)C(=O)[O-])=C2)=C1	REAL300000554205	0	38	-2.0	-108.51	341.52	6.61	-101.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCS(=O)(=O)C3)N=C2)C=C1	REAL300000554206	0	38	-2.0	-101.84	354.63	1.34	-100.50
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3CCS(=O)(=O)C3)N=C2)=C1	REAL300000554207	0	38	-2.0	-113.14	354.63	1.33	-111.81
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCS(=O)(=O)C3)N=C2)C=C1C(=O)[O-]	REAL300000554208	0	41	-2.0	-114.19	370.64	1.87	-112.32
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3CCS(=O)(=O)C3)N=C2)=C1	REAL300000554209	0	35	-2.0	-108.78	347.81	0.37	-108.41
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300000554210	0	41	-2.0	-116.35	370.06	2.12	-114.23
CN1C=C(S(=O)(=O)[N-]C2=CN(C3CCS(=O)(=O)C3)N=C2)C=C1C(=O)[O-]	REAL300000554211	0	39	-2.0	-112.83	361.27	0.70	-112.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3CCS(=O)(=O)C3)N=C2)=CS1	REAL300000554212	0	35	-2.0	-109.16	346.28	0.38	-108.78
CC1=C(S(=O)(=O)[N-]C2=CN(C3CCS(=O)(=O)C3)N=C2)C=C(C(=O)[O-])O1	REAL300000554213	0	38	-2.0	-110.07	357.64	0.50	-109.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCS(=O)(=O)C3)N=C2)S1	REAL300000554214	0	35	-2.0	-103.16	346.91	0.47	-102.69
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3CCS(=O)(=O)C3)N=C2)C=C1	REAL300000554215	0	41	-2.0	-105.49	376.79	2.12	-103.37
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300000554216	0	41	-2.0	-108.90	364.68	1.97	-106.93
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300000554217	0	41	-2.0	-102.44	370.04	2.12	-100.32
CC1=CC(S(=O)(=O)[N-]C2=CN(C3CCS(=O)(=O)C3)N=C2)=CC=C1C(=O)[O-]	REAL300000554218	0	41	-2.0	-103.47	374.69	1.98	-101.49
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3CCS(=O)(=O)C3)N=C2)=C1	REAL300000554219	0	37	-2.0	-111.81	350.84	-0.54	-112.35
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1	REAL300000554220	0	37	-2.0	-86.72	346.75	3.21	-83.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC=C1F	REAL300000554221	0	30	-2.0	-101.92	294.84	4.65	-97.27
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C=NC=CN12	REAL300000554222	0	38	-2.0	-103.59	349.91	5.71	-97.88
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554223	0	30	-2.0	-99.29	306.72	5.32	-93.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1	REAL300000554224	0	30	-2.0	-92.22	290.29	4.63	-87.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554225	0	30	-2.0	-104.16	290.29	4.62	-99.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C=NC=CN12	REAL300000554226	0	34	-2.0	-109.36	318.43	4.42	-104.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC=C1Br	REAL300000554227	0	30	-2.0	-99.74	306.56	5.11	-94.63
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1	REAL300000554228	0	34	-2.0	-92.52	321.74	5.91	-86.61
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1C(=O)[O-]	REAL300000554229	0	33	-2.0	-105.15	306.31	5.15	-100.00
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554230	0	30	-2.0	-99.87	303.36	5.18	-94.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC=C1Cl	REAL300000554231	0	30	-2.0	-100.16	302.82	5.00	-95.16
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C(Cl)C=C1Cl	REAL300000554232	0	30	-2.0	-95.62	315.86	5.56	-90.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1C	REAL300000554233	0	36	-2.0	-106.86	323.40	5.93	-100.93
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554234	0	30	-2.0	-101.31	295.76	4.68	-96.63
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1	REAL300000554235	0	36	-2.0	-91.79	333.88	6.19	-85.60
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554236	0	27	-2.0	-98.63	283.48	3.63	-95.00
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C=NC=CN12	REAL300000554237	0	33	-2.0	-105.17	305.72	5.39	-99.78
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1	REAL300000554238	0	34	-2.0	-91.13	321.36	4.90	-86.23
CN1C=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1C(=O)[O-]	REAL300000554239	0	31	-2.0	-102.57	296.94	3.96	-98.61
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C=NC=CN12	REAL300000554240	0	34	-2.0	-105.99	314.07	3.46	-102.53
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554241	0	30	-2.0	-94.73	299.40	4.29	-90.44
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1C(=O)[O-]	REAL300000554242	0	36	-2.0	-106.31	321.75	5.92	-100.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CS1	REAL300000554243	0	27	-2.0	-100.16	281.94	3.65	-96.51
COC1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC(C(=O)[O-])=C1OC	REAL300000554244	0	38	-2.0	-104.31	348.63	4.43	-99.88
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1C(=O)[O-]	REAL300000554245	0	34	-2.0	-110.00	317.58	4.69	-105.31
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554246	0	40	-2.0	-108.58	345.53	7.24	-101.34
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C=NC=CN12	REAL300000554247	0	39	-2.0	-107.17	344.19	6.63	-100.54
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C=NC=CN12	REAL300000554248	0	36	-2.0	-103.70	320.42	6.34	-97.36
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C=NC=CN12	REAL300000554249	0	37	-2.0	-109.38	340.72	5.18	-104.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC(C(=O)[O-])=C1	REAL300000554250	0	32	-3.0	-176.98	318.69	5.18	-171.80
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554251	0	37	-2.0	-108.92	334.54	6.51	-102.41
CC1=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C(C(=O)[O-])O1	REAL300000554252	0	30	-2.0	-98.34	293.30	3.75	-94.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC2=C1OCCO2	REAL300000554253	0	36	-2.0	-108.62	332.47	4.39	-104.23
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554254	0	34	-2.0	-104.98	319.26	3.71	-101.27
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN=C4C=NC=CN34)C=C2C1	REAL300000554255	0	38	-2.0	-91.53	343.22	5.21	-86.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC(Cl)=C1Cl	REAL300000554256	0	30	-2.0	-93.94	317.98	5.47	-88.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C(Cl)C=C1F	REAL300000554257	0	30	-2.0	-96.85	307.88	5.21	-91.64
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1Cl	REAL300000554258	0	34	-2.0	-89.80	337.40	5.44	-84.36
CC1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC=C1OCC(=O)[O-]	REAL300000554259	0	37	-2.0	-91.49	341.45	5.61	-85.88
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1F	REAL300000554260	0	40	-2.0	-91.01	370.04	5.87	-85.14
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C=NC=CN12	REAL300000554261	0	33	-2.0	-95.91	311.00	5.42	-90.49
CC1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC=C1OCCCC(=O)[O-]	REAL300000554262	0	43	-2.0	-91.96	383.90	6.53	-85.43
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1F	REAL300000554263	0	34	-2.0	-90.81	327.59	4.97	-85.84
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1C(=O)[O-]	REAL300000554264	0	37	-2.0	-110.61	339.44	5.59	-105.02
CC1=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C(C(=O)[O-])S1	REAL300000554265	0	30	-2.0	-101.65	299.98	4.50	-97.15
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554266	0	30	-2.0	-93.70	318.52	5.64	-88.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C(Cl)=C1	REAL300000554267	0	30	-2.0	-89.81	303.34	5.18	-84.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C(Br)=C1	REAL300000554268	0	30	-2.0	-89.36	306.69	5.31	-84.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1F	REAL300000554269	0	30	-2.0	-91.89	294.83	4.66	-87.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)S1	REAL300000554270	0	27	-2.0	-93.74	282.55	3.74	-90.00
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554271	0	30	-2.0	-95.20	296.71	4.69	-90.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1F	REAL300000554272	0	33	-2.0	-102.59	316.05	5.32	-97.27
COC1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C(Cl)C=C1C(=O)[O-]	REAL300000554273	0	34	-2.0	-94.32	330.59	5.24	-89.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C(F)=C1	REAL300000554274	0	30	-2.0	-91.45	295.75	4.69	-86.76
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1Cl	REAL300000554275	0	30	-2.0	-89.82	302.80	5.02	-84.80
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C=NC=CN12	REAL300000554276	0	33	-2.0	-97.55	319.73	5.81	-91.74
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1	REAL300000554277	0	38	-2.0	-89.60	354.02	6.03	-83.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1Br	REAL300000554278	0	30	-2.0	-89.41	306.53	5.12	-84.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC(F)=C1F	REAL300000554279	0	30	-2.0	-93.71	301.12	4.71	-89.00
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554280	0	32	-2.0	-89.59	318.49	5.29	-84.30
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554281	0	30	-3.0	-196.32	296.43	3.22	-193.10
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1	REAL300000554282	0	33	-2.0	-95.90	312.48	5.38	-90.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC(Cl)=C1F	REAL300000554283	0	30	-2.0	-95.01	311.01	5.15	-89.86
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C2C=NC=CN12	REAL300000554284	0	33	-2.0	-100.24	300.33	5.24	-95.00
CC1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC(C(=O)[O-])=C1F	REAL300000554285	0	33	-2.0	-103.06	315.13	5.27	-97.79
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C2C=NC=CN12	REAL300000554286	0	33	-2.0	-92.41	305.70	5.38	-87.03
CC1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC(C(=O)[O-])=C1C	REAL300000554287	0	36	-2.0	-106.77	323.76	5.70	-101.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC=C1[N+](=O)[O-]	REAL300000554288	0	32	-2.0	-103.08	316.87	5.71	-97.37
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554289	0	30	-2.0	-93.13	302.02	4.74	-88.39
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C(C)=C1C(=O)[O-]	REAL300000554290	0	36	-2.0	-104.53	323.82	6.02	-98.51
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1C(=O)[O-]	REAL300000554291	0	33	-2.0	-103.44	315.61	5.32	-98.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1Cl	REAL300000554292	0	33	-2.0	-101.47	322.05	5.76	-95.71
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554293	0	33	-2.0	-108.45	315.32	5.31	-103.14
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1C(=O)[O-]	REAL300000554294	0	36	-2.0	-105.77	324.61	5.81	-99.96
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1CC(=O)[O-]	REAL300000554295	0	37	-2.0	-106.17	340.76	4.74	-101.43
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN=C2C=NC=CN12	REAL300000554296	0	33	-2.0	-93.67	316.55	5.81	-87.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1C(F)(F)F	REAL300000554297	0	33	-2.0	-88.98	320.40	5.43	-83.55
CC1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC(C(=O)[O-])=C1Cl	REAL300000554298	0	33	-2.0	-101.70	321.52	5.58	-96.12
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554299	0	30	-2.0	-96.94	311.59	5.23	-91.71
CCN1C=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1C(=O)[O-]	REAL300000554300	0	34	-2.0	-103.74	318.24	4.82	-98.92
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C(C)=C1CC(=O)[O-]	REAL300000554301	0	42	-2.0	-104.14	355.44	7.48	-96.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C(F)C(Cl)=C1F	REAL300000554302	0	30	-2.0	-92.03	315.89	5.17	-86.86
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1C(=O)[O-]	REAL300000554303	0	33	-2.0	-98.56	324.06	5.69	-92.87
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C(C(=O)[O-])S1	REAL300000554304	0	39	-2.0	-101.47	339.73	6.71	-94.76
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1C(=O)[O-]	REAL300000554305	0	34	-2.0	-105.42	330.61	5.25	-100.17
CC1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC=C1C(=O)[O-]	REAL300000554306	0	33	-2.0	-92.27	306.30	5.16	-87.11
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C([N+](=O)[O-])=C1	REAL300000554307	0	35	-2.0	-96.86	333.54	6.81	-90.05
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2C=NC=CN12	REAL300000554308	0	33	-2.0	-103.18	309.83	5.46	-97.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1[N+](=O)[O-]	REAL300000554309	0	32	-2.0	-111.18	314.02	6.49	-104.69
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1F	REAL300000554310	0	30	-2.0	-107.88	293.93	4.64	-103.24
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C1C(=O)[O-]	REAL300000554311	0	33	-2.0	-96.86	315.25	5.30	-91.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=CC2=CC=CC=C21	REAL300000554312	0	36	-2.0	-111.92	331.33	6.74	-105.18
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C1	REAL300000554313	0	29	-2.0	-101.68	286.50	2.74	-98.94
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C2C=NC=CN12	REAL300000554314	0	34	-2.0	-96.05	318.49	4.43	-91.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)=C(Cl)O1	REAL300000554315	0	27	-2.0	-92.20	290.39	3.59	-88.61
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN=C4C=NC=CN34)C=C2)CC1	REAL300000554316	0	37	-2.0	-98.86	336.42	6.50	-92.36
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN=C4C=NC=CN34)C=C2C1	REAL300000554317	0	37	-2.0	-100.62	334.37	6.48	-94.14
CCC1=C(S(=O)(=O)[N-]C2=CN=C3C=NC=CN23)C=C(C(=O)[O-])O1	REAL300000554318	0	33	-2.0	-98.12	312.42	4.60	-93.52
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000554319	1	43	-2.0	-114.13	369.41	7.62	-106.51
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)OC)=C2)=CC=C1C(=O)[O-]	REAL300000554320	1	40	-2.0	-113.64	353.97	6.84	-106.80
CCC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1C(=O)[O-]	REAL300000554323	0	34	-2.0	-117.82	308.03	6.49	-111.33
CCC1=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554324	0	37	-2.0	-101.23	339.56	5.77	-95.46
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=CC=C1C(=O)[O-]	REAL300000554325	0	33	-2.0	-100.75	311.35	4.84	-95.91
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000554326	1	35	-2.0	-107.44	320.03	6.58	-100.86
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=CC=C1C(=O)[O-]	REAL300000554327	1	35	-2.0	-103.17	320.34	6.59	-96.58
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=CC=C1C(=O)[O-]	REAL300000554328	0	34	-2.0	-106.73	321.72	6.78	-99.95
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=CC=C1C(=O)[O-]	REAL300000554329	0	35	-2.0	-117.83	317.60	6.49	-111.34
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000554330	1	37	-2.0	-104.80	338.71	7.37	-97.43
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=CC=C1C(=O)[O-]	REAL300000554331	0	34	-2.0	-110.93	315.98	6.90	-104.03
CCC1=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554334	0	37	-2.0	-119.61	339.09	6.65	-112.96
CCC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000554336	0	38	-2.0	-106.01	348.42	8.26	-97.75
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554338	1	39	-2.0	-107.78	345.93	7.50	-100.28
CCC1=CC([N-]S(=O)(=O)C2=C(C)NN=C2C)=CC=C1C(=O)[O-]	REAL300000554339	0	37	-2.0	-104.97	315.69	4.04	-100.93
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Br)S2)=CC=C1C(=O)[O-]	REAL300000554340	0	31	-2.0	-102.90	313.15	5.93	-96.97
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000554343	1	37	-2.0	-102.45	337.96	7.19	-95.26
CCC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000554345	0	37	-2.0	-102.82	334.53	6.64	-96.18
CCC1=CC([N-]S(=O)(=O)C2=CC(OC)=CC=C2OC)=CC=C1C(=O)[O-]	REAL300000554346	0	42	-2.0	-119.03	356.92	5.27	-113.76
CCC1=CC([N-]S(=O)(=O)C2=C(C)ON=C2C)=CC=C1C(=O)[O-]	REAL300000554349	0	36	-2.0	-100.00	312.68	5.16	-94.84
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000554350	1	34	-2.0	-101.46	331.45	7.18	-94.28
CCC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554351	0	37	-2.0	-97.59	334.56	6.63	-90.96
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554351	1	36	-3.0	-176.68	327.67	6.75	-169.93
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554352	1	34	-2.0	-100.51	312.24	6.32	-94.19
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000554353	0	34	-2.0	-107.05	329.04	7.27	-99.78
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000554354	1	37	-2.0	-106.65	337.94	7.19	-99.46
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2)=CC=C1C(=O)[O-]	REAL300000554355	1	37	-2.0	-111.32	320.61	6.85	-104.47
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000554357	0	37	-2.0	-113.57	325.38	7.58	-105.99
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000554358	1	34	-2.0	-107.04	315.92	6.71	-100.33
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000554359	1	39	-2.0	-109.13	342.28	6.69	-102.44
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000554362	1	34	-2.0	-100.84	322.13	6.77	-94.07
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(C)=O)=C2)=CC=C1C(=O)[O-]	REAL300000554363	1	39	-2.0	-120.02	339.68	6.57	-113.45
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000554365	0	40	-2.0	-123.61	344.86	7.61	-116.00
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)C=C1	REAL300000554366	1	43	-2.0	-104.77	376.16	7.79	-96.98
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=CC=C1C(=O)[O-]	REAL300000554367	0	34	-2.0	-108.36	327.84	7.22	-101.14
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554368	1	40	-2.0	-107.71	355.04	6.94	-100.77
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1C(=O)[O-]	REAL300000554372	0	40	-3.0	-183.10	355.81	6.55	-176.55
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC=C1C(=O)[O-]	REAL300000554372	1	41	-2.0	-116.69	358.85	6.52	-110.17
CCC1=CC(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000554373	0	41	-2.0	-101.48	362.10	8.01	-93.47
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000554374	0	34	-2.0	-111.50	323.13	7.52	-103.98
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CC=C1C(=O)[O-]	REAL300000554375	0	31	-2.0	-102.73	308.52	5.82	-96.91
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC)=CC=C1C(=O)[O-]	REAL300000554377	0	38	-2.0	-117.45	327.73	5.99	-111.46
CCC1=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554378	0	40	-2.0	-119.85	350.87	7.15	-112.70
CCC1=CC([N-]S(=O)(=O)C2=CC(NC(C)=O)=CC=C2OC)=CC=C1C(=O)[O-]	REAL300000554379	0	45	-2.0	-116.75	383.25	4.87	-111.88
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=CC=C1C(=O)[O-]	REAL300000554380	0	34	-2.0	-104.34	317.24	6.38	-97.96
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000554381	1	34	-2.0	-101.75	332.95	7.23	-94.52
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000554382	0	34	-2.0	-111.64	312.62	6.76	-104.88
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=CC=C1C(=O)[O-]	REAL300000554383	1	34	-2.0	-106.98	320.48	6.81	-100.17
CCC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554384	1	36	-2.0	-107.55	327.42	6.86	-100.69
CCC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)=CC=C1C(=O)[O-]	REAL300000554385	1	39	-2.0	-107.82	342.89	7.63	-100.19
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554386	1	36	-2.0	-101.47	340.20	7.25	-94.22
CCC1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1C(=O)[O-]	REAL300000554387	0	31	-2.0	-108.38	291.41	5.21	-103.17
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000554389	0	36	-2.0	-122.67	317.58	7.57	-115.10
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000554390	0	36	-3.0	-172.73	340.72	7.32	-165.41
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000554390	1	37	-2.0	-109.16	343.75	7.29	-101.87
CCC1=CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554391	0	37	-2.0	-115.86	347.06	7.01	-108.85
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554391	1	36	-3.0	-172.05	340.50	7.15	-164.90
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=CC=C1C(=O)[O-]	REAL300000554394	0	34	-2.0	-106.05	311.39	6.33	-99.72
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300000554395	1	34	-2.0	-107.19	305.59	6.26	-100.93
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300000554396	1	34	-2.0	-100.99	312.30	6.34	-94.65
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=CC=C1C(=O)[O-]	REAL300000554401	1	34	-2.0	-103.92	316.26	6.72	-97.20
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=CC=C1C(=O)[O-]	REAL300000554402	1	34	-2.0	-103.86	320.82	6.82	-97.04
CCC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000554403	1	36	-2.0	-98.78	327.75	6.87	-91.91
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000554404	1	34	-2.0	-110.60	299.53	6.20	-104.40
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)S2)=CC=C1C(=O)[O-]	REAL300000554406	0	34	-2.0	-109.41	313.35	6.00	-103.41
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300000554407	0	43	-2.0	-120.38	361.83	8.08	-112.30
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2OC)=CC=C1C(=O)[O-]	REAL300000554408	0	38	-2.0	-110.41	344.48	6.51	-103.90
CCC1=CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000554409	1	37	-2.0	-107.36	335.96	7.59	-99.77
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000554410	0	36	-2.0	-112.19	336.93	8.11	-104.08
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C(=O)[O-]	REAL300000554411	0	36	-3.0	-174.03	333.12	6.81	-167.22
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1C(=O)[O-]	REAL300000554411	1	37	-2.0	-108.42	336.20	6.79	-101.63
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000554412	0	31	-2.0	-102.00	322.03	6.34	-95.66
CCC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000554414	1	39	-2.0	-105.57	337.65	7.46	-98.11
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000554415	0	34	-2.0	-109.57	311.09	6.32	-103.25
CCC1=CC(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000554416	0	43	-2.0	-100.68	374.26	8.31	-92.37
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000554416	1	42	-3.0	-161.84	371.57	8.35	-153.49
CCC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=CC=C1C(=O)[O-]	REAL300000554418	1	38	-2.0	-106.23	335.23	3.02	-103.21
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C(=O)[O-]	REAL300000554424	0	33	-3.0	-169.40	320.83	5.77	-163.63
CCC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=CC=C1C(=O)[O-]	REAL300000554425	1	37	-2.0	-105.69	331.26	3.70	-101.99
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1C(=O)[O-]	REAL300000554427	0	40	-2.0	-119.06	343.08	7.09	-111.97
CCC1=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2C)=CC=C1C(=O)[O-]	REAL300000554428	0	40	-2.0	-108.35	337.11	5.28	-103.07
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)NC)=C2)=CC=C1C(=O)[O-]	REAL300000554429	1	42	-2.0	-113.24	376.15	2.37	-110.87
CCC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300000554430	1	42	-2.0	-107.23	360.20	8.18	-99.05
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C=C2)=CC=C1C(=O)[O-]	REAL300000554431	1	40	-2.0	-105.25	354.30	6.86	-98.39
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NC)C=C2)=CC=C1C(=O)[O-]	REAL300000554432	1	41	-2.0	-109.51	355.96	4.48	-105.03
CCC1=CC([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000554433	1	39	-2.0	-110.13	353.78	1.16	-108.97
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000554435	0	43	-2.0	-119.33	371.35	7.88	-111.45
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000554436	1	38	-2.0	-109.43	334.03	2.98	-106.45
CCC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC=C1C(=O)[O-]	REAL300000554439	1	40	-2.0	-113.08	345.47	8.49	-104.59
CCC1=CC([N-]S(=O)(=O)C2=C(C(=O)OC)SC=C2)=CC=C1C(=O)[O-]	REAL300000554440	0	37	-2.0	-119.78	339.07	6.52	-113.26
CCC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000554443	0	41	-2.0	-101.74	361.75	7.00	-94.74
CCC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300000554445	1	45	-2.0	-111.51	383.71	10.32	-101.19
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=CC=C1C(=O)[O-]	REAL300000554448	0	34	-2.0	-114.56	304.97	6.26	-108.30
CCC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)C3)=CC=C1C(=O)[O-]	REAL300000554449	0	39	-2.0	-107.23	354.61	5.20	-102.03
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=CC=C1C(=O)[O-]	REAL300000554450	1	39	-2.0	-106.33	341.90	6.71	-99.62
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(CC)=C1	REAL300000554451	0	40	-2.0	-122.97	352.33	4.79	-118.18
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)=CC=C1C(=O)[O-]	REAL300000554452	0	42	-2.0	-126.28	360.87	7.47	-118.81
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000554454	1	37	-2.0	-111.29	334.03	7.43	-103.86
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=CC=C1C(=O)[O-]	REAL300000554455	0	38	-2.0	-112.60	344.23	6.48	-106.12
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000554457	1	39	-2.0	-114.13	353.72	1.16	-112.97
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000554459	0	40	-2.0	-117.06	349.67	6.91	-110.15
CCC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)=CC=C1C(=O)[O-]	REAL300000554460	1	40	-2.0	-106.62	355.74	3.18	-103.44
CCC1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000554461	1	41	-2.0	-104.21	365.11	5.46	-98.75
CCC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)=CC=C1C(=O)[O-]	REAL300000554463	1	40	-2.0	-106.97	353.61	6.16	-100.81
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000554464	1	38	-2.0	-104.77	345.20	5.98	-98.79
CCC1=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000554465	1	40	-2.0	-113.67	360.24	3.72	-109.95
CCC1=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)NC)C=C2)=CC=C1C(=O)[O-]	REAL300000554467	1	42	-2.0	-109.41	376.15	2.37	-107.04
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000554468	1	44	-2.0	-113.50	368.94	10.06	-103.44
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000554469	0	34	-2.0	-103.64	319.01	6.83	-96.81
CCC1=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=CC=C1C(=O)[O-]	REAL300000554470	1	46	-2.0	-116.66	385.13	5.53	-111.13
CCC1=CC([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C=C2F)=CC=C1C(=O)[O-]	REAL300000554471	0	41	-2.0	-120.39	361.32	5.16	-115.23
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300000554472	1	40	-2.0	-117.48	360.24	3.72	-113.76
CCC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)=CC=C1C(=O)[O-]	REAL300000554473	1	43	-2.0	-110.65	373.69	8.91	-101.74
CCC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C=C2F)=CC=C1C(=O)[O-]	REAL300000554475	0	42	-2.0	-110.36	363.37	5.46	-104.90
CCC1=CC(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554477	0	38	-2.0	-117.57	337.52	6.07	-111.50
CCC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554477	1	37	-3.0	-174.14	334.32	6.10	-168.04
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)C=N2)=CC=C1C(=O)[O-]	REAL300000554478	0	34	-2.0	-116.43	316.95	5.75	-110.68
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2Br)=CC=C1C(=O)[O-]	REAL300000554479	1	37	-2.0	-110.65	337.38	7.56	-103.09
CCC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000554480	0	39	-2.0	-108.24	341.27	2.36	-105.88
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CC=C1C(=O)[O-]	REAL300000554481	0	41	-2.0	-119.59	351.82	5.15	-114.44
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000554482	0	40	-2.0	-112.97	367.05	7.41	-105.56
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554485	1	38	-2.0	-106.38	335.23	5.57	-100.81
CCC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300000554490	0	34	-2.0	-106.99	304.04	3.91	-103.08
CCC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)=CC=C1C(=O)[O-]	REAL300000554491	1	39	-2.0	-98.85	343.19	7.64	-91.21
CCC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)NC)=C2)=CC=C1C(=O)[O-]	REAL300000554493	0	42	-2.0	-108.70	363.17	3.85	-104.85
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000554494	1	37	-2.0	-107.43	331.40	7.48	-99.95
CCC1=CC([N-]S(=O)(=O)C2=CN(C3=CC=C(C)C=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000554496	0	44	-2.0	-107.68	381.46	8.00	-99.68
CCC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C4=C3C2=CC=C4)=CC=C1C(=O)[O-]	REAL300000554500	1	42	-2.0	-109.51	363.04	6.06	-103.45
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC=C1C(=O)[O-]	REAL300000554501	0	36	-3.0	-164.74	337.06	6.44	-158.30
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000554502	1	35	-2.0	-100.11	335.74	7.01	-93.10
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000554503	1	35	-2.0	-100.73	335.78	7.00	-93.73
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC=C1C(=O)[O-]	REAL300000554504	0	43	-2.0	-119.15	358.72	7.63	-111.52
CCC1=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000554505	1	38	-2.0	-114.89	337.85	6.57	-108.32
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C3=NC=CC=C23)=CC=C1C(=O)[O-]	REAL300000554506	1	43	-2.0	-112.41	364.82	5.99	-106.42
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=CC=C1C(=O)[O-]	REAL300000554508	0	34	-2.0	-111.05	321.19	6.76	-104.29
CCC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2OC)=CC=C1C(=O)[O-]	REAL300000554510	0	40	-2.0	-104.60	355.95	6.66	-97.94
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000554511	1	44	-2.0	-115.89	368.90	7.86	-108.03
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554512	1	37	-2.0	-107.38	326.24	6.91	-100.47
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000554514	0	37	-2.0	-114.83	326.11	6.92	-107.91
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000554515	1	37	-2.0	-107.58	321.07	7.03	-100.55
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000554517	0	39	-2.0	-123.41	333.35	8.46	-114.95
CCC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)=CC=C1C(=O)[O-]	REAL300000554518	0	42	-2.0	-111.00	364.85	5.45	-105.55
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000554519	0	38	-2.0	-105.12	346.08	7.98	-97.14
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000554520	1	44	-2.0	-120.59	370.29	6.04	-114.55
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000554522	0	42	-2.0	-126.53	360.80	7.49	-119.04
CCC1=CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554525	0	34	-2.0	-97.59	326.19	5.66	-91.93
CCC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554525	1	33	-3.0	-171.33	319.31	5.79	-165.54
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(C)=C2Cl)=CC=C1C(=O)[O-]	REAL300000554526	0	37	-2.0	-112.19	341.89	8.09	-104.10
CCC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000554527	1	43	-2.0	-117.12	375.38	4.49	-112.63
CCC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000554528	0	36	-2.0	-98.84	340.84	7.43	-91.41
CCC1=CC(NS(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554529	0	41	-2.0	-102.78	357.93	6.79	-95.99
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)=CC=C1C(=O)[O-]	REAL300000554530	1	42	-2.0	-110.85	349.55	7.58	-103.27
CCC1=CC([N-]S(=O)(=O)C2=C(Br)C=CS2)=CC=C1C(=O)[O-]	REAL300000554531	0	31	-2.0	-108.52	311.79	5.77	-102.75
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CCNC(C)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000554533	1	47	-2.0	-118.51	402.94	6.00	-112.51
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000554534	0	36	-2.0	-115.10	327.39	7.70	-107.40
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=CC=C1C(=O)[O-]	REAL300000554535	0	46	-2.0	-117.79	382.73	8.32	-109.47
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300000554536	1	44	-2.0	-110.57	373.71	9.61	-100.96
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000554537	0	36	-2.0	-117.50	332.60	7.57	-109.93
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(CC)=C1	REAL300000554538	0	43	-2.0	-118.79	379.50	4.72	-114.07
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000554539	1	45	-2.0	-119.61	389.94	5.85	-113.76
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)=CC=C1C(=O)[O-]	REAL300000554542	1	45	-2.0	-120.17	387.59	6.18	-113.99
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000554543	0	38	-2.0	-113.55	330.37	4.55	-109.00
CCC1=CC(NS(=O)(=O)C2=CC(C)=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300000554543	1	38	-2.0	-107.00	319.72	5.45	-101.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C(=O)[O-])C(CC)=C1	REAL300000554544	0	43	-2.0	-118.44	359.87	8.00	-110.44
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=CC=C1C(=O)[O-]	REAL300000554545	0	37	-2.0	-112.96	338.72	7.09	-105.87
CCC1=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=CC=C1C(=O)[O-]	REAL300000554546	0	43	-3.0	-184.89	378.08	7.31	-177.58
CCC1=CC(NS(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=CC=C1C(=O)[O-]	REAL300000554546	1	44	-2.0	-122.37	381.14	7.29	-115.08
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554547	0	39	-3.0	-182.35	359.06	7.29	-175.06
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554547	1	38	-4.0	-257.37	356.35	7.32	-250.05
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)OC)S2)=CC=C1C(=O)[O-]	REAL300000554548	0	37	-2.0	-103.18	347.08	5.96	-97.22
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=CC=C1C(=O)[O-]	REAL300000554549	0	44	-2.0	-120.74	373.48	8.67	-112.07
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000554550	0	42	-2.0	-121.32	359.42	8.82	-112.50
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=CC=C1C(=O)[O-]	REAL300000554551	1	38	-2.0	-102.56	337.32	6.58	-95.98
CCC1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=CC=C1C(=O)[O-]	REAL300000554552	0	34	-2.0	-107.60	314.44	6.56	-101.04
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CCNC(C)=O)S2)=CC=C1C(=O)[O-]	REAL300000554553	0	44	-2.0	-117.26	395.01	5.12	-112.14
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)NC(C)=O)S2)=CC=C1C(=O)[O-]	REAL300000554554	0	44	-2.0	-108.17	393.03	5.18	-102.99
CCC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554555	0	36	-3.0	-168.33	330.65	5.90	-162.43
CCC1=CC(NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554555	1	37	-2.0	-113.64	333.61	5.87	-107.77
CCC1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=CC=C1C(=O)[O-]	REAL300000554556	0	37	-2.0	-130.58	327.38	5.40	-125.18
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000554557	0	40	-2.0	-115.25	359.45	6.90	-108.35
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(CC)=C1	REAL300000554558	0	44	-2.0	-119.22	370.71	7.57	-111.65
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000554561	0	36	-2.0	-121.84	332.48	8.35	-113.49
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=CC=C1C(=O)[O-]	REAL300000554562	1	39	-2.0	-120.56	347.46	6.37	-114.19
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)C2=CC=CC=C12	REAL300000554563	1	47	-2.0	-115.43	390.42	8.77	-106.66
CCC1=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=CC=C1C(=O)[O-]	REAL300000554564	0	33	-2.0	-101.10	315.86	5.00	-96.10
CCC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000554567	0	36	-2.0	-125.65	325.78	7.83	-117.82
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1C(=O)[O-]	REAL300000554568	0	40	-3.0	-178.30	356.93	5.85	-172.45
CCC1=CC(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC=C1C(=O)[O-]	REAL300000554568	1	41	-2.0	-100.58	358.75	5.91	-94.67
CCC1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000554569	0	41	-2.0	-108.08	360.06	7.32	-100.76
CCC1=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000554570	0	44	-2.0	-107.81	385.49	7.77	-100.04
CCC1=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300000554571	0	33	-2.0	-100.94	300.94	4.47	-96.47
CCC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)=CC=C1C(=O)[O-]	REAL300000554573	1	44	-2.0	-107.45	379.74	7.11	-100.34
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=CS2)=CC=C1C(=O)[O-]	REAL300000554574	0	37	-2.0	-108.68	347.24	5.86	-102.82
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(CC)=C1	REAL300000554575	1	42	-2.0	-107.02	357.64	8.58	-98.44
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=CC=C1C(=O)[O-]	REAL300000554576	1	39	-2.0	-111.67	335.35	6.61	-105.06
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=CC=C1C(=O)[O-]	REAL300000554577	0	33	-2.0	-101.91	324.64	5.33	-96.58
CCC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=CC=C1C(=O)[O-]	REAL300000554578	0	44	-2.0	-100.76	381.31	7.73	-93.03
CCC1=CC([N-]S(=O)(=O)C2=CN(C)C=N2)=CC=C1C(=O)[O-]	REAL300000554579	0	34	-2.0	-117.97	303.70	5.29	-112.68
CCC1=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)=CC=C1C(=O)[O-]	REAL300000554581	1	42	-2.0	-104.32	365.83	5.94	-98.38
CCC1=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)=CC=C1C(=O)[O-]	REAL300000554582	0	38	-2.0	-100.28	339.24	3.18	-97.10
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=CC=C1C(=O)[O-]	REAL300000554583	0	34	-2.0	-99.58	315.48	4.72	-94.86
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=CC=C1C(=O)[O-]	REAL300000554585	0	34	-2.0	-111.89	311.30	6.33	-105.56
CCC1=CC([N-]S(=O)(=O)C2=C(F)C=C(OC)C=C2F)=CC=C1C(=O)[O-]	REAL300000554586	0	38	-2.0	-112.92	337.20	5.78	-107.14
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000554587	0	40	-2.0	-118.23	361.14	8.11	-110.12
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000554588	0	36	-2.0	-115.07	337.72	8.15	-106.92
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C(=O)[O-]	REAL300000554589	0	40	-2.0	-111.01	350.07	7.59	-103.42
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC=C1C(=O)[O-]	REAL300000554589	1	39	-3.0	-167.42	348.69	7.59	-159.83
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=CC=C1C(=O)[O-]	REAL300000554590	0	40	-2.0	-116.05	342.31	5.85	-110.20
CCC1=CC([N-]S(=O)(=O)C2=CN(C)C(C)=N2)=CC=C1C(=O)[O-]	REAL300000554591	0	37	-2.0	-118.79	323.01	5.09	-113.70
CCC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554592	0	41	-2.0	-105.50	371.85	6.97	-98.53
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554592	1	40	-3.0	-159.81	365.28	7.11	-152.70
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000554593	0	38	-2.0	-112.72	337.48	6.26	-106.46
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000554594	1	43	-2.0	-113.24	375.86	7.77	-105.47
CCC1=CC([N-]S(=O)(=O)C2=CN(CC)N=C2)=CC=C1C(=O)[O-]	REAL300000554595	0	37	-2.0	-107.20	325.57	4.77	-102.43
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)C=C1	REAL300000554596	1	46	-2.0	-104.40	397.66	8.58	-95.82
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(COC)=C2)=CC=C1C(=O)[O-]	REAL300000554597	1	41	-2.0	-112.41	354.25	5.91	-106.50
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000554598	0	40	-2.0	-118.19	350.81	7.66	-110.53
CCC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000554599	0	37	-2.0	-108.70	343.44	7.25	-101.45
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000554600	0	37	-2.0	-105.18	331.75	7.65	-97.53
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=CC=C1C(=O)[O-]	REAL300000554601	0	34	-2.0	-108.51	331.61	6.30	-102.21
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(CC)=C2)C=C1C(=O)[O-]	REAL300000554602	0	44	-2.0	-103.17	379.78	7.70	-95.47
CCC1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=CC=C1C(=O)[O-]	REAL300000554603	1	39	-2.0	-108.63	335.46	5.50	-103.13
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=CC=C1F	REAL300000554604	1	43	-2.0	-102.83	380.73	7.80	-95.03
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000554605	0	34	-2.0	-107.01	318.71	6.82	-100.19
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C3=COC(C)=N3)C=C2)=CC=C1C(=O)[O-]	REAL300000554606	1	43	-2.0	-112.73	375.60	5.26	-107.47
CCC1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000554609	1	38	-2.0	-103.76	343.82	3.06	-100.70
CCC1=CC([N-]S(=O)(=O)C2=CNN=C2C)=CC=C1C(=O)[O-]	REAL300000554610	0	34	-2.0	-105.12	299.90	3.24	-101.88
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(OC)=C2)=CC=C1C(=O)[O-]	REAL300000554611	1	38	-2.0	-112.29	328.71	5.49	-106.80
CCC1=CC([N-]S(=O)(=O)C2=C(C)N=C(NC(C)=O)S2)=CC=C1C(=O)[O-]	REAL300000554613	0	40	-2.0	-113.11	360.80	4.43	-108.68
CCC1=CC([N-]S(=O)(=O)C2=C(C)N=C([N-]C(C)=O)S2)=CC=C1C(=O)[O-]	REAL300000554613	1	39	-3.0	-169.33	357.52	3.30	-166.03
CCC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2)=CC=C1C(=O)[O-]	REAL300000554614	0	34	-2.0	-115.17	304.32	3.73	-111.44
CCC1=CC([N-]S(=O)(=O)C2=CC=NN2C)=CC=C1C(=O)[O-]	REAL300000554615	0	34	-2.0	-101.54	299.72	3.82	-97.72
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(F)C=C2F)=CC=C1C(=O)[O-]	REAL300000554621	0	40	-2.0	-103.22	364.32	6.94	-96.28
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000554622	0	37	-2.0	-114.05	326.40	6.94	-107.11
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)OC)O2)=CC=C1C(=O)[O-]	REAL300000554624	0	37	-2.0	-103.34	339.03	5.00	-98.34
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000554625	0	39	-2.0	-126.38	339.46	6.83	-119.55
CCC1=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=CC=C1C(=O)[O-]	REAL300000554626	0	40	-2.0	-114.22	365.90	6.90	-107.32
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=CC=C1C(=O)[O-]	REAL300000554627	0	34	-2.0	-101.48	317.38	6.37	-95.11
CCC1=CC(NS(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554628	0	37	-2.0	-116.70	339.31	6.62	-110.08
CCC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554628	1	36	-3.0	-173.27	336.27	6.65	-166.62
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)OC)=C2C)=CC=C1C(=O)[O-]	REAL300000554629	1	43	-2.0	-111.95	364.46	7.49	-104.46
CCC1=CC([N-]S(=O)(=O)C2=CC(OC)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000554630	0	38	-2.0	-112.36	341.79	6.05	-106.31
CCC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000554631	0	36	-2.0	-101.47	329.85	5.42	-96.05
CCC1=CC([N-]S(=O)(=O)C2=NNC(C)=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000554632	0	40	-2.0	-118.71	358.57	3.73	-114.98
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)OC)C=C2)=CC=C1C(=O)[O-]	REAL300000554634	1	43	-2.0	-115.97	376.48	7.65	-108.32
CCC1=CC([N-]S(=O)(=O)C2=CC=C3CCN(C(C)=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000554636	1	45	-2.0	-131.59	380.00	7.32	-124.27
CCC1=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)=CC=C1C(=O)[O-]	REAL300000554637	0	46	-2.0	-109.06	378.68	6.82	-102.24
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=CS2)=CC=C1C(=O)[O-]	REAL300000554638	0	34	-2.0	-111.11	310.28	5.83	-105.28
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)OC)=C2)=CC=C1C(=O)[O-]	REAL300000554639	1	40	-2.0	-107.01	371.00	7.36	-99.65
CCC1=CC([N-]S(=O)(=O)C2=C(C)N(CC)N=C2C)=CC=C1C(=O)[O-]	REAL300000554640	0	43	-2.0	-108.58	358.93	6.14	-102.44
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000554641	1	43	-2.0	-105.47	370.30	7.39	-98.08
CCC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)=CC=C1C(=O)[O-]	REAL300000554642	1	39	-2.0	-99.30	343.26	7.36	-91.94
CCC1=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000554645	1	42	-2.0	-122.15	359.11	4.65	-117.50
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000554646	1	43	-2.0	-124.37	384.56	4.40	-119.97
CCC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000554647	1	38	-2.0	-107.67	335.45	7.35	-100.32
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(NC(C)=O)=C2)=CC=C1C(=O)[O-]	REAL300000554648	1	41	-2.0	-117.25	360.26	5.20	-112.05
CCC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000554649	0	39	-2.0	-108.83	348.70	7.43	-101.40
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000554650	1	46	-2.0	-109.86	351.24	8.85	-101.01
CCC1=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2OC)=CC=C1C(=O)[O-]	REAL300000554653	0	38	-2.0	-111.84	337.13	6.67	-105.17
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C)=CC=C1C(=O)[O-]	REAL300000554654	1	38	-2.0	-103.33	335.76	7.37	-95.96
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=CC=C1C(=O)[O-]	REAL300000554659	0	35	-2.0	-105.87	325.79	6.65	-99.22
CCC1=CC([N-]S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)=CC=C1C(=O)[O-]	REAL300000554660	1	39	-2.0	-107.64	343.14	3.86	-103.78
CCC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000554661	0	40	-2.0	-107.13	344.26	5.29	-101.84
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)=CC=C1C(=O)[O-]	REAL300000554662	0	39	-2.0	-112.41	337.34	2.68	-109.73
CCC1=CC([N-]S(=O)(=O)C2=CN(CC(=O)OC)N=C2)=CC=C1C(=O)[O-]	REAL300000554664	0	40	-2.0	-112.76	358.87	4.98	-107.78
CCC1=CC([N-]S(=O)(=O)C2=CNC(C(C)C)=N2)=CC=C1C(=O)[O-]	REAL300000554665	0	40	-2.0	-116.41	343.46	4.63	-111.78
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000554666	0	37	-2.0	-111.74	340.94	8.00	-103.74
CCC1=CC([N-]S(=O)(=O)C2=C(C)N(C3=CC=CC=N3)N=C2)=CC=C1C(=O)[O-]	REAL300000554668	0	43	-2.0	-112.28	371.69	7.59	-104.69
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)=CC=C1C(=O)[O-]	REAL300000554670	0	38	-2.0	-107.42	356.30	7.50	-99.92
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554671	1	34	-2.0	-95.30	318.48	6.38	-88.92
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000554672	1	45	-2.0	-107.54	382.14	8.04	-99.50
CCC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)OC)=C2)=CC=C1C(=O)[O-]	REAL300000554674	0	41	-2.0	-112.88	360.38	6.30	-106.58
CCC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000554676	0	37	-2.0	-98.50	343.61	7.29	-91.21
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000554676	1	36	-3.0	-160.02	341.00	7.32	-152.70
CCC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554677	0	37	-2.0	-103.26	339.07	6.67	-96.59
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554677	1	36	-3.0	-160.85	332.51	6.80	-154.05
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)=CC=C1C(=O)[O-]	REAL300000554678	1	42	-2.0	-103.46	365.26	5.59	-97.87
CCC1=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)=CC=C1C(=O)[O-]	REAL300000554679	0	41	-2.0	-111.14	364.48	7.49	-103.65
CCC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)=CC=C1C(=O)[O-]	REAL300000554682	0	37	-2.0	-104.19	344.36	4.27	-99.92
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C(=O)[O-]	REAL300000554683	0	33	-3.0	-163.37	320.27	5.89	-157.48
CCC1=CC([N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=CC=C1C(=O)[O-]	REAL300000554684	0	43	-2.0	-116.87	364.06	7.18	-109.69
CCC1=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554685	0	37	-2.0	-95.02	336.85	6.82	-88.20
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554685	1	36	-3.0	-166.60	334.36	6.83	-159.77
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1C(=O)[O-]	REAL300000554686	0	39	-3.0	-175.42	353.71	7.46	-167.96
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC=C1C(=O)[O-]	REAL300000554686	1	40	-2.0	-95.14	346.88	7.05	-88.09
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(C)(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000554687	1	48	-2.0	-107.07	392.73	8.26	-98.81
CCC1=CC([N-]S(=O)(=O)C2=CNC(C(=O)OC)=C2)=CC=C1C(=O)[O-]	REAL300000554688	0	38	-2.0	-110.40	342.59	4.54	-105.86
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C(=O)[O-]	REAL300000554689	0	36	-3.0	-161.42	333.41	6.83	-154.59
CCC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1C(=O)[O-]	REAL300000554689	1	37	-2.0	-98.07	336.16	6.80	-91.27
CCC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000554690	0	37	-2.0	-100.18	347.04	7.03	-93.15
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C)=CC=C1C(=O)[O-]	REAL300000554691	1	37	-2.0	-106.58	319.99	6.99	-99.59
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)OC)=C2)=CC=C1C(=O)[O-]	REAL300000554693	1	43	-2.0	-107.47	370.20	7.37	-100.10
CCC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)OC)=C2)=CC=C1C(=O)[O-]	REAL300000554694	0	37	-2.0	-109.21	346.47	5.87	-103.34
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)OC)=C2)=CC=C1C(=O)[O-]	REAL300000554695	1	40	-2.0	-102.74	358.86	6.88	-95.86
CCC1=CC([N-]S(=O)(=O)C2=C(C)N=C(C)S2)=CC=C1C(=O)[O-]	REAL300000554696	0	36	-2.0	-107.38	326.03	4.70	-102.68
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=CC=C1C(=O)[O-]	REAL300000554697	1	38	-2.0	-116.19	341.78	7.37	-108.82
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)=CC=C1C(=O)[O-]	REAL300000554698	1	42	-2.0	-98.41	357.58	8.56	-89.85
CCC1=CC(NS(=O)(=O)C2=CC=C([O-])C(NC(C)=O)=C2)=CC=C1C(=O)[O-]	REAL300000554699	1	42	-2.0	-100.21	368.58	2.97	-97.24
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1C(=O)[O-]	REAL300000554702	0	40	-2.0	-111.96	358.78	7.99	-103.97
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=CC=C1C(=O)[O-]	REAL300000554702	1	39	-3.0	-169.42	357.42	7.97	-161.45
CCC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000554703	1	40	-2.0	-106.98	353.73	7.97	-99.01
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000554704	1	40	-2.0	-111.68	342.09	7.62	-104.06
CCC1=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000554705	0	37	-2.0	-106.69	355.12	8.13	-98.56
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300000554706	1	37	-2.0	-107.03	327.31	6.93	-100.10
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(C)O2)=CC=C1C(=O)[O-]	REAL300000554708	0	40	-2.0	-104.34	357.37	5.66	-98.68
CCC1=CC(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554710	0	37	-2.0	-115.25	341.26	6.85	-108.40
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554710	1	36	-3.0	-164.02	338.78	6.85	-157.17
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554711	0	39	-2.0	-108.87	358.63	7.42	-101.45
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554711	1	38	-3.0	-160.51	356.14	7.43	-153.08
CCC1=CC([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=CC=C1C(=O)[O-]	REAL300000554712	0	37	-2.0	-111.41	352.53	8.07	-103.34
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC=C2OC)=CC=C1C(=O)[O-]	REAL300000554713	0	44	-2.0	-120.09	382.12	6.63	-113.46
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300000554714	1	46	-2.0	-114.51	386.96	8.20	-106.31
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C=C2F)=CC=C1C(=O)[O-]	REAL300000554716	0	37	-2.0	-106.13	331.40	6.95	-99.18
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000554717	0	40	-2.0	-118.32	351.22	9.27	-109.05
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000554718	1	40	-2.0	-118.82	340.24	8.50	-110.32
CCC1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=CC=C1C(=O)[O-]	REAL300000554719	0	36	-2.0	-107.20	331.51	5.68	-101.52
CCC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000554720	0	39	-2.0	-106.81	356.37	7.92	-98.89
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000554721	1	38	-2.0	-99.77	355.84	7.37	-92.40
CCC1=CC([N-]S(=O)(=O)C2=C(OC)C=C(C(=O)OC)S2)=CC=C1C(=O)[O-]	REAL300000554722	0	41	-2.0	-111.41	377.04	5.29	-106.12
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2C)=CC=C1C(=O)[O-]	REAL300000554723	1	37	-2.0	-106.54	332.77	7.48	-99.06
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1C(=O)[O-]	REAL300000554724	0	37	-3.0	-176.89	337.36	4.46	-172.43
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300000554724	1	37	-3.0	-175.72	336.88	5.31	-170.41
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000554726	0	39	-2.0	-108.61	363.41	5.60	-103.01
CCC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000554727	0	40	-2.0	-101.16	352.86	7.50	-93.66
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300000554727	1	39	-3.0	-166.89	350.17	7.54	-159.35
CCC1=CC([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000554728	1	41	-2.0	-110.21	368.96	5.74	-104.47
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)O1	REAL300000554729	0	40	-2.0	-103.42	360.89	5.93	-97.49
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554730	0	36	-2.0	-99.38	334.11	6.94	-92.44
CCC1=CC([N-]S(=O)(=O)C2=CC(C(C)=O)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000554731	0	39	-2.0	-119.70	352.74	7.15	-112.55
CCC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)=CC=C1C(=O)[O-]	REAL300000554732	1	46	-2.0	-109.09	390.20	7.74	-101.35
CCC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2C)=CC=C1C(=O)[O-]	REAL300000554733	1	39	-2.0	-101.80	355.34	8.00	-93.80
CCC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)=CC=C1C(=O)[O-]	REAL300000554734	0	37	-2.0	-117.31	342.25	6.92	-110.39
CCC1=CC([N-]S(=O)(=O)C2=C(OC)C=CS2)=CC=C1C(=O)[O-]	REAL300000554735	0	35	-2.0	-118.48	321.65	4.49	-113.99
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)CC)=C2)=CC=C1C(=O)[O-]	REAL300000554736	1	43	-2.0	-116.56	381.70	4.62	-111.94
CCC1=CC([N-]S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)=CC=C1C(=O)[O-]	REAL300000554737	0	40	-2.0	-107.16	353.23	7.48	-99.68
CCC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CC=C1C(=O)[O-]	REAL300000554738	0	37	-2.0	-111.23	329.24	6.59	-104.64
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)=CC=C1C(=O)[O-]	REAL300000554739	0	42	-2.0	-128.20	360.70	7.43	-120.77
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000554741	1	40	-2.0	-110.22	354.95	8.93	-101.29
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)OC)=C2)=CC=C1C(=O)[O-]	REAL300000554742	1	40	-2.0	-97.80	365.10	6.94	-90.86
CCC1=CC([N-]S(=O)(=O)C2=C(C)C3=C(F)C=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000554743	0	40	-2.0	-113.67	359.46	8.24	-105.43
CCC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2F)=CC=C1C(=O)[O-]	REAL300000554744	0	39	-2.0	-108.02	353.51	7.57	-100.45
CCC1=CC([N-]S(=O)(=O)C2=CSN=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000554745	0	36	-2.0	-114.44	332.73	4.96	-109.48
CCC1=CC([N-]S(=O)(=O)C2=CN3N=C(C)C(Cl)=C3N=C2)=CC=C1C(=O)[O-]	REAL300000554747	0	39	-2.0	-99.32	360.47	6.16	-93.16
CCC1=CC([N-]S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)=CC=C1C(=O)[O-]	REAL300000554748	1	36	-2.0	-102.37	347.76	6.11	-96.26
CCC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)N2C)=CC=C1C(=O)[O-]	REAL300000554749	0	34	-2.0	-99.60	315.22	5.10	-94.50
CCC1=CC([N-]S(=O)(=O)C2=CN(C)C(Cl)=N2)=CC=C1C(=O)[O-]	REAL300000554750	0	34	-2.0	-113.14	319.86	5.02	-108.12
CCC1=CC([N-]S(=O)(=O)C2=CC(OC)=CC(OC)=C2)=CC=C1C(=O)[O-]	REAL300000554751	1	42	-2.0	-112.86	358.47	4.81	-108.05
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=CC=C1C(=O)[O-]	REAL300000554752	0	35	-2.0	-114.16	315.32	4.94	-109.22
CCC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])C=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300000554753	0	42	-2.0	-122.18	352.21	9.07	-113.11
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=CC=C1C(=O)[O-]	REAL300000554754	0	35	-2.0	-101.15	321.75	4.03	-97.12
CCC1=CC([N-]S(=O)(=O)C2=CN=C(C)S2)=CC=C1C(=O)[O-]	REAL300000554755	0	33	-2.0	-105.88	307.71	4.02	-101.86
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)OC)=C2)=CC=C1C(=O)[O-]	REAL300000554756	1	40	-2.0	-102.73	366.85	7.24	-95.49
CCC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(F)C=C2C)=CC=C1C(=O)[O-]	REAL300000554757	1	39	-2.0	-100.92	347.40	7.65	-93.27
CCC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000554758	0	40	-2.0	-99.51	340.96	7.36	-92.15
CCC1=CC([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000554760	1	41	-2.0	-127.84	364.13	4.07	-123.77
CCC1=CC(NS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554761	0	40	-2.0	-99.29	355.27	7.41	-91.88
CCC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1C(=O)[O-]	REAL300000554762	0	40	-2.0	-106.30	343.06	7.09	-99.21
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000554763	0	40	-2.0	-115.51	358.09	7.30	-108.21
CCC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)=CC=C1C(=O)[O-]	REAL300000554764	0	35	-2.0	-107.32	328.50	6.87	-100.45
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C(C)N1	REAL300000554765	1	47	-2.0	-109.54	395.11	6.87	-102.67
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000554766	0	37	-2.0	-109.34	331.37	6.96	-102.38
CCC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(OC)=C2)=CC=C1C(=O)[O-]	REAL300000554767	0	40	-2.0	-99.20	355.05	6.95	-92.25
CCC1=CC(NS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554768	0	43	-2.0	-124.80	367.43	7.93	-116.87
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=CC=C1C(=O)[O-]	REAL300000554769	1	40	-2.0	-119.64	357.27	9.02	-110.62
CCC1=CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554770	0	39	-2.0	-103.11	360.95	7.71	-95.40
CCC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554770	1	38	-3.0	-173.12	354.54	7.86	-165.26
CCC1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000554771	0	37	-2.0	-106.66	344.81	7.69	-98.97
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1C(=O)[O-]	REAL300000554773	0	36	-3.0	-164.74	339.70	6.88	-157.86
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554774	1	39	-2.0	-100.19	352.53	7.53	-92.66
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000554775	0	40	-2.0	-115.00	361.44	8.11	-106.89
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=CC=C1C(=O)[O-]	REAL300000554776	0	33	-2.0	-107.17	318.49	5.65	-101.52
CCC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)C=N2)=CC=C1C(=O)[O-]	REAL300000554777	0	40	-2.0	-117.07	345.13	6.58	-110.49
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)OC)N=C2)=CC=C1C(=O)[O-]	REAL300000554778	0	39	-2.0	-101.34	350.26	5.03	-96.31
CCC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000554779	0	33	-2.0	-99.58	324.93	5.39	-94.19
CCC1=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000554780	0	43	-2.0	-103.47	365.18	8.11	-95.36
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000554781	0	39	-3.0	-175.26	348.95	7.33	-167.93
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000554781	1	40	-2.0	-108.15	351.98	7.33	-100.82
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1C(=O)[O-]	REAL300000554782	0	39	-3.0	-174.49	359.71	7.90	-166.59
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=CC=C1C(=O)[O-]	REAL300000554782	1	40	-2.0	-110.42	360.33	7.43	-102.99
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1C(=O)[O-]	REAL300000554783	0	39	-3.0	-181.87	352.96	7.45	-174.42
CCC1=CC(NS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC=C1C(=O)[O-]	REAL300000554783	1	40	-2.0	-127.38	346.21	7.04	-120.34
CCC1=CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=CC=C1C(=O)[O-]	REAL300000554784	0	34	-2.0	-97.86	326.72	6.68	-91.18
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000554785	1	42	-2.0	-120.44	362.30	7.46	-112.98
CCC1=CC([N-]S(=O)(=O)C2=CN(CCOC)N=C2)=CC=C1C(=O)[O-]	REAL300000554786	0	41	-2.0	-105.49	359.24	3.82	-101.67
CCC1=CC([N-]S(=O)(=O)C2=CN(CC)N=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000554787	0	39	-2.0	-114.43	349.80	7.04	-107.39
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2Br)=CC=C1C(=O)[O-]	REAL300000554788	0	37	-2.0	-111.91	333.89	7.46	-104.45
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(CC)=C2)C=C1C(=O)[O-]	REAL300000554789	0	43	-2.0	-123.44	364.45	7.91	-115.53
CCC1=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000554790	0	45	-2.0	-107.26	376.67	4.75	-102.51
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C#N)=CC=C1C(=O)[O-]	REAL300000554793	0	38	-2.0	-118.58	336.44	6.98	-111.60
CCC1=CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2C)=CC=C1C(=O)[O-]	REAL300000554794	0	40	-2.0	-104.55	351.37	6.66	-97.89
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)S2)=CC=C1C(=O)[O-]	REAL300000554795	0	43	-2.0	-109.66	372.53	7.85	-101.81
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000554796	0	40	-2.0	-116.73	346.84	6.97	-109.76
CCC1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=CC=C1C(=O)[O-]	REAL300000554797	0	42	-2.0	-105.56	357.53	3.95	-101.61
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2F)=CC=C1C(=O)[O-]	REAL300000554799	0	37	-2.0	-115.48	324.98	6.90	-108.58
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)C=N1	REAL300000554800	1	40	-2.0	-103.26	348.57	3.82	-99.44
CCC1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=CC=C1C(=O)[O-]	REAL300000554801	0	41	-2.0	-119.30	345.26	6.24	-113.06
CCC1=CC(NS(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554802	0	44	-2.0	-112.72	385.02	6.75	-105.97
CCC1=CC([N-]S(=O)(=O)C2=CC=C(COC)C=C2)=CC=C1C(=O)[O-]	REAL300000554803	1	41	-2.0	-110.27	354.60	5.93	-104.34
CCC1=CC([N-]S(=O)(=O)C2=CC(OC)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000554804	0	39	-2.0	-114.27	338.45	3.18	-111.09
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2Cl)=CC=C1C(=O)[O-]	REAL300000554805	0	37	-2.0	-112.51	331.07	7.33	-105.18
CCC1=CC([N-]S(=O)(=O)C2=C(C)OC(C)=C2)=CC=C1C(=O)[O-]	REAL300000554807	0	37	-2.0	-108.22	322.18	5.77	-102.45
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=CC=C1C(=O)[O-]	REAL300000554808	0	40	-2.0	-114.84	345.78	3.86	-110.98
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000554810	1	43	-2.0	-106.15	382.54	7.85	-98.30
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2COC)=CC=C1C(=O)[O-]	REAL300000554811	1	41	-2.0	-109.23	346.08	6.24	-102.99
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)C=C(C(=O)OC)O1	REAL300000554812	0	43	-2.0	-104.86	376.19	6.61	-98.25
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)O2)=CC=C1C(=O)[O-]	REAL300000554814	0	34	-2.0	-108.80	304.07	5.02	-103.78
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)S2)=CC=C1C(=O)[O-]	REAL300000554815	0	37	-2.0	-110.35	333.14	6.62	-103.73
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000554817	0	42	-2.0	-126.27	353.45	8.00	-118.27
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=CC=C1C(=O)[O-]	REAL300000554818	0	40	-2.0	-120.48	348.82	8.22	-112.26
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000554819	0	40	-2.0	-114.44	351.12	7.67	-106.77
CCC1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554820	0	36	-2.0	-97.00	332.26	6.89	-90.11
CCC1=CC(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000554821	0	40	-2.0	-94.43	355.94	7.92	-86.51
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000554821	1	39	-3.0	-166.55	358.79	8.01	-158.54
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000554822	1	34	-2.0	-101.37	322.63	6.79	-94.58
CCC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)OC)=C2)=CC=C1C(=O)[O-]	REAL300000554823	0	40	-2.0	-104.81	357.02	5.76	-99.05
CCC1=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000554824	0	33	-2.0	-101.16	311.29	4.89	-96.27
CCC1=CC(NS(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554825	0	40	-2.0	-96.44	361.66	7.71	-88.73
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554825	1	39	-3.0	-174.02	359.22	7.72	-166.30
CCC1=CC([N-]S(=O)(=O)C2=CN(CC)C(C)=N2)=CC=C1C(=O)[O-]	REAL300000554826	0	40	-2.0	-118.68	345.02	6.01	-112.67
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2Br)=CC=C1C(=O)[O-]	REAL300000554827	0	37	-2.0	-111.24	337.10	7.55	-103.69
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000554828	0	37	-2.0	-111.98	333.75	7.42	-104.56
CCC1=CC(NS(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554829	0	41	-2.0	-99.04	358.17	6.94	-92.10
CCC1=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554829	1	40	-3.0	-175.54	356.00	6.98	-168.56
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=CO2)=CC=C1C(=O)[O-]	REAL300000554830	0	37	-2.0	-107.60	339.37	4.94	-102.66
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(CC)=C1	REAL300000554831	0	46	-2.0	-109.88	375.64	6.79	-103.09
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=CN1C	REAL300000554832	0	44	-2.0	-112.43	382.24	7.22	-105.21
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000554833	1	42	-2.0	-104.46	361.53	8.25	-96.21
CCC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000554834	0	34	-2.0	-114.71	315.54	7.01	-107.70
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2Cl)=CC=C1C(=O)[O-]	REAL300000554835	0	36	-2.0	-108.82	329.39	5.52	-103.30
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2OC)=CC=C1C(=O)[O-]	REAL300000554836	0	39	-2.0	-109.09	348.53	6.39	-102.70
CCC1=CC([N-]S(=O)(=O)C2=CC=C(SC)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000554837	1	38	-2.0	-106.40	354.72	7.67	-98.73
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)S1	REAL300000554838	0	36	-2.0	-105.48	329.20	4.77	-100.71
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C(=O)[O-])C(CC)=C3)C=C12	REAL300000554839	0	41	-2.0	-99.60	360.73	3.91	-95.69
CCC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)S2)=CC=C1C(=O)[O-]	REAL300000554840	0	36	-2.0	-104.30	338.78	6.59	-97.71
CCC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(OC)=C2)=CC=C1C(=O)[O-]	REAL300000554842	0	37	-2.0	-99.45	340.32	4.16	-95.29
CCC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3CC)=CC=C1C(=O)[O-]	REAL300000554843	1	43	-2.0	-106.88	375.42	7.16	-99.72
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000554844	0	36	-2.0	-99.29	334.23	5.45	-93.84
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)OC)=C2)=CC=C1C(=O)[O-]	REAL300000554845	1	40	-2.0	-106.59	360.68	6.92	-99.67
CCC1=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=CC=C1C(=O)[O-]	REAL300000554846	1	37	-2.0	-108.39	346.13	3.30	-105.09
CCC1=CC([N-]S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)=CC=C1C(=O)[O-]	REAL300000554847	0	49	-2.0	-108.98	392.30	7.21	-101.77
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000554849	0	35	-2.0	-103.52	333.37	7.15	-96.37
CCC1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CC=C1C(=O)[O-]	REAL300000554850	0	37	-2.0	-118.72	327.41	6.51	-112.21
CCC1=CC([N-]S(=O)(=O)C2=CN=CC(C(=O)OC)=C2)=CC=C1C(=O)[O-]	REAL300000554851	0	39	-2.0	-106.06	349.49	5.06	-101.00
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OCCOC)=CC=C1C(=O)[O-]	REAL300000554852	0	45	-2.0	-119.28	389.34	6.29	-112.99
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=CC=C1C(=O)[O-]	REAL300000554853	0	31	-2.0	-103.20	303.87	4.93	-98.27
CCC1=CC([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)OC(C)=N2)=CC=C1C(=O)[O-]	REAL300000554854	0	43	-2.0	-119.38	375.12	5.15	-114.23
CCC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)=CC=C1C(=O)[O-]	REAL300000554855	1	42	-2.0	-108.59	358.73	8.13	-100.46
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C=C2OC)=CC=C1C(=O)[O-]	REAL300000554856	1	44	-2.0	-117.42	363.04	7.96	-109.46
CCC1=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=CC=C1C(=O)[O-]	REAL300000554857	0	34	-2.0	-106.69	320.55	6.61	-100.08
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000554861	1	46	-2.0	-113.69	391.27	8.54	-105.15
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)=CC=C1C(=O)[O-]	REAL300000554862	0	34	-2.0	-102.40	334.36	7.30	-95.10
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)S2)=CC=C1C(=O)[O-]	REAL300000554863	0	34	-2.0	-103.24	328.46	6.43	-96.81
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C=C2OC)=CC=C1C(=O)[O-]	REAL300000554864	0	44	-2.0	-111.19	382.47	6.65	-104.54
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000554865	1	37	-2.0	-109.91	331.39	7.06	-102.85
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)=CC=C1C(=O)[O-]	REAL300000554866	0	37	-2.0	-104.91	343.72	7.26	-97.65
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(Br)=C2)=CC=C1C(=O)[O-]	REAL300000554867	1	37	-2.0	-107.09	342.19	7.48	-99.61
CCC1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000554868	0	37	-2.0	-105.99	338.56	5.06	-100.93
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2SC)=CC=C1C(=O)[O-]	REAL300000554869	1	38	-2.0	-117.20	335.57	7.27	-109.93
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=CC=C1C(=O)[O-]	REAL300000554870	1	37	-2.0	-110.93	344.90	3.43	-107.50
CCC1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000554872	0	42	-2.0	-103.97	368.65	7.48	-96.49
CCC1=CC([N-]S(=O)(=O)C2=C(C(=O)OC)SC=C2C)=CC=C1C(=O)[O-]	REAL300000554874	0	40	-2.0	-119.50	354.60	7.40	-112.10
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC)=C2)=CC=C1C(=O)[O-]	REAL300000554875	1	38	-2.0	-102.99	335.26	5.57	-97.42
CCC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=CC=C1C(=O)[O-]	REAL300000554876	0	33	-2.0	-116.05	312.21	6.60	-109.45
CCC1=CC([N-]S(=O)(=O)C2=CN=NN2C)=CC=C1C(=O)[O-]	REAL300000554877	0	33	-2.0	-96.25	292.96	2.66	-93.59
CCC1=CC([N-]S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=CC=C1C(=O)[O-]	REAL300000554878	1	39	-2.0	-104.53	343.88	5.34	-99.19
CCC1=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554879	0	33	-2.0	-100.99	320.37	5.95	-95.04
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(OC)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554882	1	40	-2.0	-98.18	362.97	7.03	-91.15
CCC1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CC=C1C(=O)[O-]	REAL300000554883	0	38	-2.0	-111.17	327.46	5.63	-105.54
CCC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000554884	0	35	-2.0	-107.30	333.10	7.14	-100.16
CCC1=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300000554885	0	37	-2.0	-107.37	343.45	5.27	-102.10
CCC1=CC([N-]S(=O)(=O)C2=C(OC)C=CC=C2OC)=CC=C1C(=O)[O-]	REAL300000554887	0	42	-2.0	-123.90	353.51	6.71	-117.19
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2F)=CC=C1C(=O)[O-]	REAL300000554889	0	37	-2.0	-115.06	318.76	7.16	-107.90
CCC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=CC=C1C(=O)[O-]	REAL300000554891	0	38	-2.0	-123.10	337.58	6.27	-116.83
CCC1=CC([N-]S(=O)(=O)C2=C(C)N(CC3CC3)N=C2C)=CC=C1C(=O)[O-]	REAL300000554892	0	47	-2.0	-108.47	390.60	7.71	-100.76
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=C(C)C=CN=C23)=CC=C1C(=O)[O-]	REAL300000554893	0	42	-2.0	-126.23	357.06	7.38	-118.85
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000554895	1	38	-2.0	-113.21	350.74	3.49	-109.72
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=CC=C1C(=O)[O-]	REAL300000554896	0	35	-2.0	-116.57	324.29	4.52	-112.05
CCC1=CC([N-]S(=O)(=O)C2=CN=CC(OC)=C2)=CC=C1C(=O)[O-]	REAL300000554897	0	37	-2.0	-106.49	324.11	3.67	-102.82
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C(OC)=C2)=CC=C1C(=O)[O-]	REAL300000554898	1	44	-2.0	-105.91	381.61	6.91	-99.00
CCC1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2OC)=CC=C1C(=O)[O-]	REAL300000554902	0	40	-2.0	-109.05	349.57	7.46	-101.59
CCC1=CC(NS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000554903	0	40	-2.0	-116.05	364.02	7.82	-108.23
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000554904	1	44	-2.0	-109.33	370.29	6.04	-103.29
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(CC)=C1	REAL300000554905	0	43	-2.0	-124.28	366.71	8.53	-115.75
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC)=CC=C1C(=O)[O-]	REAL300000554906	0	42	-2.0	-113.03	356.54	4.51	-108.52
CCC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)=CC=C1C(=O)[O-]	REAL300000554907	0	40	-2.0	-118.46	360.69	7.75	-110.71
CCC1=CC([N-]S(=O)(=O)C2=CN=C(NC(C)=O)S2)=CC=C1C(=O)[O-]	REAL300000554909	0	37	-2.0	-112.98	344.15	3.68	-109.30
CCC1=CC([N-]S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)=CC=C1C(=O)[O-]	REAL300000554909	1	36	-3.0	-168.51	341.18	2.57	-165.94
CCC1=CC([N-]S(=O)(=O)C2=CC=C(NC(C)=O)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554910	1	41	-2.0	-109.69	360.26	5.22	-104.47
CCC1=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000554911	0	42	-2.0	-108.17	371.01	5.96	-102.21
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554912	1	38	-2.0	-105.57	344.99	5.85	-99.72
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554913	1	37	-2.0	-99.52	343.85	7.26	-92.26
CCC1=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)=CC=C1C(=O)[O-]	REAL300000554914	0	39	-2.0	-111.41	356.26	1.82	-109.59
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=CC=C1C(=O)[O-]	REAL300000554915	1	38	-2.0	-113.00	332.37	7.46	-105.54
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=CC=C1C(=O)[O-]	REAL300000554916	1	38	-2.0	-116.18	341.48	7.35	-108.83
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000554917	0	34	-2.0	-104.33	329.34	7.27	-97.06
CCC1=CC([N-]S(=O)(=O)C2=C(C)ON=C2N)=CC=C1C(=O)[O-]	REAL300000554919	0	35	-2.0	-99.44	305.92	3.59	-95.85
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)=CC=C1C(=O)[O-]	REAL300000554920	0	34	-2.0	-102.62	329.54	7.59	-95.03
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC)=CC=C1C(=O)[O-]	REAL300000554921	0	38	-2.0	-113.72	344.18	6.50	-107.22
CCC1=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000554922	1	35	-2.0	-105.43	326.69	4.97	-100.46
CCC1=CC([N-]S(=O)(=O)C2=CC(OC)=CC=C2C)=CC=C1C(=O)[O-]	REAL300000554925	1	41	-2.0	-112.71	344.15	6.26	-106.45
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=CC=C1C(=O)[O-]	REAL300000554928	0	32	-2.0	-101.11	312.03	5.75	-95.36
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)N=C2)=CC=C1C(=O)[O-]	REAL300000554929	1	36	-2.0	-107.16	316.12	5.04	-102.12
CCC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=CC=C1C(=O)[O-]	REAL300000554930	0	39	-2.0	-109.59	340.71	6.57	-103.02
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C=C2F)=CC=C1C(=O)[O-]	REAL300000554931	0	40	-2.0	-108.12	359.74	6.93	-101.19
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)OC)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554932	1	40	-2.0	-104.03	358.85	6.89	-97.14
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000554933	0	42	-2.0	-120.06	375.33	8.03	-112.03
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000554934	1	38	-2.0	-102.86	339.17	7.08	-95.78
CCC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554935	0	33	-2.0	-95.77	317.21	4.89	-90.88
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C=C2F)=CC=C1C(=O)[O-]	REAL300000554937	0	38	-2.0	-111.44	334.47	5.56	-105.88
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000554938	0	42	-2.0	-121.86	360.26	9.39	-112.47
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000554939	1	40	-2.0	-110.59	360.50	7.98	-102.61
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000554941	1	37	-2.0	-108.39	333.71	7.13	-101.26
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000554942	1	44	-2.0	-114.67	373.72	9.61	-105.06
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=NN2C)=CC=C1C(=O)[O-]	REAL300000554944	0	37	-2.0	-102.38	316.39	4.67	-97.71
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000554945	0	43	-2.0	-114.62	381.31	7.82	-106.80
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=CC=C1C(=O)[O-]	REAL300000554947	0	32	-2.0	-101.40	303.40	4.75	-96.65
CCC1=CC([N-]S(=O)(=O)C2=CSC=C2)=CC=C1C(=O)[O-]	REAL300000554948	1	31	-2.0	-106.51	290.59	5.11	-101.40
CCC1=CC([N-]S(=O)(=O)C2=CC(COC)=CC=C2OC)=CC=C1C(=O)[O-]	REAL300000554949	0	45	-2.0	-119.34	382.52	5.70	-113.64
CCC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1C(=O)[O-]	REAL300000554950	0	40	-2.0	-101.50	346.59	7.27	-94.23
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC)N=C2)=CC=C1C(=O)[O-]	REAL300000554951	1	37	-2.0	-103.31	326.71	2.89	-100.42
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000554952	0	34	-2.0	-109.50	321.42	6.77	-102.73
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(CC)=C1	REAL300000554954	1	45	-2.0	-111.32	377.44	7.33	-103.99
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000554955	0	43	-2.0	-112.18	376.71	8.96	-103.22
CCC1=CC([N-]S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000554956	0	43	-2.0	-111.84	372.54	8.67	-103.17
CCC1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300000554957	0	37	-2.0	-111.79	335.74	7.55	-104.24
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000554958	1	46	-2.0	-116.68	398.02	8.54	-108.14
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000554959	0	40	-2.0	-123.53	355.60	8.26	-115.27
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)N(C)N=C1	REAL300000554960	0	43	-2.0	-109.75	370.59	6.21	-103.54
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=CC=C1C	REAL300000554961	1	46	-2.0	-107.78	392.01	8.31	-99.47
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=CC=C1C(=O)[O-]	REAL300000554962	0	45	-2.0	-122.28	377.35	7.42	-114.86
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000554963	1	38	-2.0	-99.33	356.18	7.38	-91.95
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=CC=C1C(=O)[O-]	REAL300000554964	0	37	-2.0	-114.66	326.09	4.84	-109.82
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000554966	1	41	-2.0	-112.34	350.54	6.41	-105.93
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=CC=C1C(=O)[O-]	REAL300000554967	0	34	-2.0	-110.94	321.57	7.05	-103.89
CCC1=CC([N-]S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)=CC=C1C(=O)[O-]	REAL300000554969	1	43	-2.0	-112.68	366.50	9.13	-103.55
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=CC=C1C(=O)[O-]	REAL300000554970	0	31	-2.0	-109.41	307.46	5.66	-103.75
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CS2)=CC=C1C(=O)[O-]	REAL300000554971	0	34	-2.0	-108.40	312.75	5.86	-102.54
CCC1=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=CC=C1C(=O)[O-]	REAL300000554973	0	31	-2.0	-105.09	297.78	3.00	-102.09
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)=CC=C1C(=O)[O-]	REAL300000554974	0	39	-2.0	-117.74	353.69	7.26	-110.48
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=CC=C1C(=O)[O-]	REAL300000554975	0	33	-2.0	-103.61	306.41	4.32	-99.29
CCC1=CC([N-]S(=O)(=O)C2=CN=CC(OC(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000554976	0	43	-2.0	-104.28	363.90	5.25	-99.03
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000554977	1	43	-2.0	-103.70	368.68	4.75	-98.95
CCC1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=CC=C1C(=O)[O-]	REAL300000554980	0	37	-2.0	-105.49	335.66	6.66	-98.83
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000554981	0	37	-2.0	-111.78	350.79	8.26	-103.52
CCC1=CC([N-]S(=O)(=O)C2=CC=CN=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000554982	0	39	-2.0	-116.01	346.24	5.17	-110.84
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=NS2)=CC=C1C(=O)[O-]	REAL300000554983	0	33	-2.0	-102.27	307.68	4.48	-97.79
CCC1=CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300000554985	0	38	-2.0	-98.46	337.04	5.79	-92.67
CCC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000554985	1	38	-2.0	-108.39	348.02	4.90	-103.49
CCC1=CC([N-]S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000554986	0	40	-2.0	-104.29	355.18	7.59	-96.70
CCC1=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=CC=C1C(=O)[O-]	REAL300000554989	0	31	-2.0	-111.96	297.76	5.25	-106.71
CCC1=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=CC=C1C(=O)[O-]	REAL300000554991	0	40	-2.0	-122.25	360.32	4.62	-117.63
CCC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000554992	0	37	-2.0	-108.69	338.12	5.05	-103.64
CCC1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=CC=C1C(=O)[O-]	REAL300000554993	1	43	-2.0	-109.49	364.35	7.80	-101.69
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000554994	1	35	-2.0	-100.16	326.24	6.63	-93.53
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C([N+](=O)[O-])C=C2F)=CC=C1C(=O)[O-]	REAL300000554997	0	39	-2.0	-101.39	351.81	7.56	-93.83
CCC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC=C1C(=O)[O-]	REAL300000554998	0	40	-2.0	-120.27	347.57	7.14	-113.13
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=CC=C1C(=O)[O-]	REAL300000554999	0	35	-2.0	-107.26	332.37	5.49	-101.77
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000555000	0	38	-3.0	-185.07	351.37	8.62	-176.45
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000555003	0	43	-2.0	-109.03	375.29	7.43	-101.60
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=CC=C1C(=O)[O-]	REAL300000555004	0	34	-2.0	-101.12	332.11	6.39	-94.73
CCC1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=CC=C1C(=O)[O-]	REAL300000555005	0	39	-2.0	-114.99	336.51	3.12	-111.87
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)S2)=CC=C1C(=O)[O-]	REAL300000555006	0	37	-2.0	-112.24	331.81	6.63	-105.61
CCC1=CC([N-]S(=O)(=O)C2=CN=C(C)C(C(=O)OC)=C2)=CC=C1C(=O)[O-]	REAL300000555007	0	42	-2.0	-101.81	365.64	5.53	-96.28
CCC1=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000555008	0	35	-2.0	-98.95	322.92	5.05	-93.90
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2C)=CC=C1C(=O)[O-]	REAL300000555009	1	36	-2.0	-100.59	327.04	5.58	-95.01
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000555010	1	40	-2.0	-102.87	353.63	7.70	-95.17
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(CC(=O)OC)=C2)=CC=C1C(=O)[O-]	REAL300000555011	1	43	-2.0	-116.91	376.16	7.63	-109.28
CCC1=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=CC=C1C(=O)[O-]	REAL300000555012	1	36	-2.0	-100.22	339.24	6.08	-94.14
CCC1=CC([N-]S(=O)(=O)C2=C(C)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000555016	0	37	-2.0	-108.38	320.12	4.43	-103.95
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CC)=C2)=CC=C1C(=O)[O-]	REAL300000555018	1	47	-2.0	-121.66	392.58	7.04	-114.62
CCC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C)=CC=C1C(=O)[O-]	REAL300000555019	0	37	-2.0	-107.86	322.87	4.55	-103.31
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(COC)=C2)=CC=C1C(=O)[O-]	REAL300000555020	1	41	-2.0	-107.61	371.29	6.43	-101.18
CCC1=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000555021	0	34	-2.0	-100.72	315.39	4.79	-95.93
CCC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=CC=C1C(=O)[O-]	REAL300000555023	1	39	-2.0	-107.56	345.95	3.40	-104.16
CCC1=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000555025	0	34	-2.0	-105.88	315.16	3.73	-102.15
CCC1=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000555026	0	40	-2.0	-102.55	345.78	6.13	-96.42
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=C(N(C)C)C=CC=C23)=CC=C1C(=O)[O-]	REAL300000555027	1	48	-2.0	-114.62	393.98	8.37	-106.25
CCC1=CC([N-]S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)=CC=C1C(=O)[O-]	REAL300000555029	1	36	-2.0	-106.99	347.65	6.12	-100.87
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(OC)C=C2OC)=CC=C1C(=O)[O-]	REAL300000555030	0	42	-2.0	-113.16	372.91	5.86	-107.30
CCC1=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=CC=C1C(=O)[O-]	REAL300000555031	0	42	-2.0	-99.95	370.63	4.77	-95.18
CCC1=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=CC=C1C(=O)[O-]	REAL300000555033	0	37	-2.0	-106.28	336.74	3.77	-102.51
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(OC)=C2)=CC=C1C(=O)[O-]	REAL300000555034	1	38	-2.0	-103.59	345.06	6.06	-97.53
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)=CC=C1C(=O)[O-]	REAL300000555035	0	38	-2.0	-118.79	351.13	2.84	-115.95
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C(=O)[O-]	REAL300000555036	0	36	-3.0	-180.96	331.64	6.79	-174.17
CCC1=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1C(=O)[O-]	REAL300000555036	1	37	-2.0	-101.81	334.32	6.75	-95.06
CCC1=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=CC=C1C(=O)[O-]	REAL300000555037	0	31	-2.0	-113.06	298.82	4.20	-108.86
CCC1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=CC=C1C(=O)[O-]	REAL300000555038	0	36	-2.0	-120.71	330.69	5.62	-115.09
CCC1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=CC=C1C(=O)[O-]	REAL300000555039	1	39	-2.0	-112.61	335.29	6.04	-106.57
CCC1=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=CC=C1C(=O)[O-]	REAL300000555041	0	40	-2.0	-117.66	349.70	8.50	-109.16
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=CC=C1C(=O)[O-]	REAL300000555042	0	37	-2.0	-113.08	339.65	5.27	-107.81
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000555043	0	40	-2.0	-114.70	367.57	7.72	-106.98
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300000555045	0	37	-2.0	-111.63	326.30	7.69	-103.94
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000555046	0	38	-2.0	-108.07	343.60	6.31	-101.76
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CC=C1C(=O)[O-]	REAL300000555047	0	39	-2.0	-119.95	335.79	6.02	-113.93
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)OC)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000555048	1	43	-2.0	-112.42	381.93	7.69	-104.73
CCC1=CC([N-]S(=O)(=O)C2=C(C)SC3=C(C)C=CC=C32)=CC=C1C(=O)[O-]	REAL300000555049	0	43	-2.0	-112.43	370.71	9.22	-103.21
CCC1=CC([N-]S(=O)(=O)C2=C(F)C=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300000555055	0	37	-2.0	-116.71	329.45	7.16	-109.55
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=CC=C1C(=O)[O-]	REAL300000555056	0	33	-2.0	-102.03	324.25	5.39	-96.64
CCC1=CC([N-]S(=O)(=O)C2=C(Br)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000555057	0	34	-2.0	-104.30	323.05	4.36	-99.94
CCC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)N=NN3C)=CC=C1C(=O)[O-]	REAL300000555058	1	39	-2.0	-109.20	343.34	4.65	-104.55
CCC1=CC(NS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000555060	0	40	-2.0	-115.22	355.24	7.41	-107.81
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000555060	1	39	-3.0	-168.77	353.33	7.44	-161.33
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC)=CC=C1C(=O)[O-]	REAL300000555062	0	38	-2.0	-113.93	333.85	6.04	-107.89
CCC1=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=CC=C1C(=O)[O-]	REAL300000555063	1	37	-2.0	-100.13	339.07	5.30	-94.83
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)C=C1[N+](=O)[O-]	REAL300000555064	1	42	-2.0	-108.12	361.89	8.05	-100.07
CCC1=CC([N-]S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2OC)=CC=C1C(=O)[O-]	REAL300000555065	0	50	-2.0	-119.28	403.61	8.31	-110.97
CCC1=CC([N-]S(=O)(=O)C2=CN=C(OC)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000555067	0	37	-2.0	-100.16	342.78	3.43	-96.73
CCC1=CC([N-]S(=O)(=O)C2=CON=C2C)=CC=C1C(=O)[O-]	REAL300000555068	0	33	-2.0	-100.11	298.28	4.12	-95.99
CCC1=CC([N-]S(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000555069	1	38	-2.0	-105.05	349.23	4.35	-100.70
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000555070	1	37	-2.0	-104.76	334.68	7.29	-97.47
CCC1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000555071	1	40	-2.0	-119.00	347.58	7.19	-111.81
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=CC(C)=C2F)=CC=C1C(=O)[O-]	REAL300000555072	0	43	-2.0	-115.54	380.02	7.55	-107.99
CCC1=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC(C)=C2)=CC=C1C(=O)[O-]	REAL300000555073	0	36	-2.0	-115.98	333.76	7.38	-108.60
CCC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=CC=C1C(=O)[O-]	REAL300000555075	1	37	-2.0	-104.69	341.49	4.40	-100.29
CCC1=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=CC=C1C(=O)[O-]	REAL300000555076	0	33	-2.0	-111.51	299.98	4.38	-107.13
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=CC=C1C(=O)[O-]	REAL300000555079	0	33	-2.0	-99.88	300.89	4.36	-95.52
CCC1=CC([N-]S(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000555081	0	36	-2.0	-107.69	350.12	6.19	-101.50
CCC1=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=CC=C1C(=O)[O-]	REAL300000555082	0	32	-2.0	-112.95	309.90	5.59	-107.36
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000555083	0	41	-2.0	-113.99	366.43	7.98	-106.01
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000555086	1	34	-2.0	-101.08	322.13	6.77	-94.31
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=CC=C1C(=O)[O-]	REAL300000555087	0	43	-2.0	-116.24	360.88	6.54	-109.70
CCC1=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=CC=C1C(=O)[O-]	REAL300000555088	1	41	-2.0	-114.97	364.62	4.07	-110.90
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=CC=C1C(=O)[O-]	REAL300000555089	0	42	-2.0	-120.01	351.37	7.40	-112.61
CCC1=CC([N-]S(=O)(=O)C2=COC(C(=O)N(C)C)=C2C)=CC=C1C(=O)[O-]	REAL300000555090	0	44	-2.0	-108.82	372.19	5.19	-103.63
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)C(F)=C1	REAL300000555091	0	43	-2.0	-107.54	381.60	7.85	-99.69
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000555097	1	41	-2.0	-120.45	355.41	3.64	-116.81
CCC1=CC([N-]S(=O)(=O)C2=C(C(=O)OC)C=NN2C)=CC=C1C(=O)[O-]	REAL300000555100	0	40	-2.0	-109.41	348.72	5.28	-104.13
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2C)=CC=C1C(=O)[O-]	REAL300000555102	0	39	-2.0	-97.31	355.26	8.05	-89.26
CCC1=CC([N-]S(=O)(=O)C2=CN=C(C)N2C)=CC=C1C(=O)[O-]	REAL300000555105	0	37	-2.0	-106.65	318.36	5.24	-101.41
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)OC)=C2F)=CC=C1C(=O)[O-]	REAL300000555106	0	40	-2.0	-110.23	364.29	6.94	-103.29
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(OC(C)CC)=C2)=CC=C1C(=O)[O-]	REAL300000555107	1	47	-2.0	-112.80	389.55	7.86	-104.94
CCC1=CC([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000555110	0	47	-2.0	-106.30	400.46	8.52	-97.78
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000555111	0	39	-2.0	-114.95	345.08	8.30	-106.65
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=CN1CC1CC1	REAL300000555112	0	47	-2.0	-119.16	393.59	8.00	-111.16
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)OC)O2)=CC=C1C(=O)[O-]	REAL300000555113	0	40	-2.0	-103.97	356.64	5.57	-98.40
CCC1=CC([N-]S(=O)(=O)C2=CC=C3CN(C(C)=O)CC3=C2)=CC=C1C(=O)[O-]	REAL300000555114	1	45	-2.0	-115.89	383.26	6.71	-109.18
CCC1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=CC=C1C(=O)[O-]	REAL300000555115	0	37	-2.0	-106.21	339.28	5.70	-100.51
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300000555116	1	42	-2.0	-105.29	363.26	8.51	-96.78
CCC1=CC(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000555117	0	43	-2.0	-126.26	375.59	8.76	-117.50
CCC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000555117	1	42	-3.0	-186.02	369.18	8.89	-177.13
CCC1=CC([N-]S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=CC=C1C(=O)[O-]	REAL300000555118	0	37	-2.0	-95.98	340.80	4.80	-91.18
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=CC=C1C(=O)[O-]	REAL300000555119	0	33	-2.0	-104.40	316.87	4.81	-99.59
CCC1=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=CC=C1C(=O)[O-]	REAL300000555120	1	44	-2.0	-121.26	365.59	9.61	-111.65
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2F)=CC=C1C(=O)[O-]	REAL300000555122	0	37	-2.0	-111.84	331.65	6.98	-104.86
CCC1=CC([N-]S(=O)(=O)C2=C(C(=O)OC)C=CO2)=CC=C1C(=O)[O-]	REAL300000555123	0	37	-2.0	-116.31	331.62	5.66	-110.65
CCC1=CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000555125	0	36	-2.0	-121.31	326.56	5.18	-116.13
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)C(C)=N1	REAL300000555126	0	46	-2.0	-107.57	387.40	6.96	-100.61
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C(=O)[O-]	REAL300000555128	0	35	-3.0	-174.04	324.20	4.89	-169.15
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2OC)=CC=C1C(=O)[O-]	REAL300000555129	0	38	-2.0	-110.08	331.94	6.33	-103.75
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000555131	1	46	-2.0	-106.88	377.74	8.45	-98.43
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=CC=C1C(=O)[O-]	REAL300000555132	1	35	-2.0	-101.23	326.72	6.66	-94.57
CCC1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000555133	0	37	-2.0	-104.46	332.63	4.83	-99.63
CCC1=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=CC=C1C(=O)[O-]	REAL300000555134	0	36	-2.0	-121.26	322.37	5.38	-115.88
CCC1=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=CC=C1C(=O)[O-]	REAL300000555134	1	36	-2.0	-107.90	322.46	5.24	-102.66
CCC1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300000555135	0	38	-2.0	-117.06	332.93	6.15	-110.91
CCC1=CC([N-]S(=O)(=O)C2=C3CCCCC3=NN2C)=CC=C1C(=O)[O-]	REAL300000555136	0	44	-2.0	-105.96	360.47	6.32	-99.64
CCC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000555137	0	46	-2.0	-107.22	367.97	6.81	-100.41
CCC1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000555139	0	44	-2.0	-107.00	366.91	6.55	-100.45
CCC1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)=CC=C1C(=O)[O-]	REAL300000555140	0	37	-2.0	-100.37	333.84	5.11	-95.26
CCC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2Br)=CC=C1C(=O)[O-]	REAL300000555141	0	34	-2.0	-107.41	324.73	4.40	-103.01
CCC1=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300000555145	0	35	-2.0	-90.78	314.89	4.78	-86.00
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000555145	1	35	-2.0	-109.12	315.37	3.95	-105.17
CCC1=CC([N-]S(=O)(=O)C2=NNC=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000555147	0	37	-2.0	-122.66	330.47	3.86	-118.80
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(CC)=C1	REAL300000555148	0	40	-2.0	-108.07	342.34	5.35	-102.72
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)=O)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000555149	1	39	-2.0	-109.33	346.83	6.77	-102.56
CCC1=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=CC=C1C(=O)[O-]	REAL300000555150	0	34	-2.0	-102.23	304.42	3.55	-98.68
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C=C2C#N)=CC=C1C(=O)[O-]	REAL300000555151	0	38	-2.0	-116.49	339.00	7.16	-109.33
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=CC=C2C#N)=CC=C1C(=O)[O-]	REAL300000555152	0	38	-2.0	-117.31	330.86	7.46	-109.85
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=CC=C1C(=O)[O-]	REAL300000555156	1	41	-2.0	-113.69	363.29	8.16	-105.53
CCC1=CC([N-]S(=O)(=O)C2=CC(OC)=NS2)=CC=C1C(=O)[O-]	REAL300000555158	0	34	-2.0	-99.48	318.43	1.99	-97.49
CCC1=CC([N-]S(=O)(=O)C2=CC=NS2)=CC=C1C(=O)[O-]	REAL300000555160	0	30	-2.0	-102.08	286.23	3.90	-98.18
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1C(=O)[O-]	REAL300000555163	0	40	-3.0	-166.93	356.15	6.55	-160.38
CCC1=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC=C1C(=O)[O-]	REAL300000555163	1	41	-2.0	-98.68	343.13	6.35	-92.33
CCC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000555164	0	38	-2.0	-108.72	338.69	1.81	-106.91
CCC1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=CC=C1C(=O)[O-]	REAL300000555166	0	34	-2.0	-104.33	319.60	6.10	-98.23
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000555168	0	33	-3.0	-161.90	327.79	5.73	-156.17
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=CC=C1C(=O)[O-]	REAL300000555169	1	39	-2.0	-118.61	335.43	6.70	-111.91
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=CN2C)=CC=C1C(=O)[O-]	REAL300000555170	0	41	-2.0	-110.16	359.60	6.44	-103.72
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=CC=C1C(=O)[O-]	REAL300000555171	0	35	-2.0	-112.04	325.01	6.61	-105.43
CCC1=CC([N-]S(=O)(=O)C2=CN(C)N=N2)=CC=C1C(=O)[O-]	REAL300000555172	0	33	-2.0	-110.86	298.27	2.52	-108.34
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(Cl)O2)=CC=C1C(=O)[O-]	REAL300000555173	0	37	-2.0	-99.67	354.04	5.48	-94.19
CCC1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000555174	0	41	-2.0	-107.17	349.42	5.89	-101.28
CCC1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=CC=C1C(=O)[O-]	REAL300000555175	0	41	-2.0	-103.90	346.78	6.09	-97.81
CCC1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=CC=C1C(=O)[O-]	REAL300000555176	0	44	-2.0	-102.93	359.66	7.02	-95.91
CCC1=CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1C(=O)[O-]	REAL300000555177	0	35	-2.0	-98.62	331.03	5.85	-92.77
CCC1=CC([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=CC=C1C(=O)[O-]	REAL300000555178	0	45	-2.0	-115.07	374.53	4.22	-110.85
CCC1=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=CC=C1C(=O)[O-]	REAL300000555179	0	40	-2.0	-108.39	366.03	7.09	-101.30
CCC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=CC=C1C(=O)[O-]	REAL300000555180	1	40	-2.0	-107.43	350.26	3.43	-104.00
CCC1=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=CC=C1C(=O)[O-]	REAL300000555181	0	31	-2.0	-106.86	300.16	4.93	-101.93
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(OC)C(F)=C2)=CC=C1C(=O)[O-]	REAL300000555182	1	38	-2.0	-99.30	345.36	5.75	-93.55
CCC1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=CC=C1C(=O)[O-]	REAL300000555183	0	41	-2.0	-109.01	342.41	6.26	-102.75
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(OC)C=C2F)=CC=C1C(=O)[O-]	REAL300000555184	0	38	-2.0	-107.44	340.37	5.63	-101.81
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000555186	0	44	-2.0	-115.72	374.17	7.62	-108.10
CCC1=CC([N-]S(=O)(=O)C2=C(C)SC=C2C)=CC=C1C(=O)[O-]	REAL300000555187	1	37	-2.0	-106.09	322.46	6.91	-99.18
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(C)C3)=CC=C1C(=O)[O-]	REAL300000555188	0	42	-2.0	-121.05	356.66	6.79	-114.26
CCC1=CC([N-]S(=O)(=O)C2=CN=C(C(C)(C)C)S2)=CC=C1C(=O)[O-]	REAL300000555189	0	42	-2.0	-106.47	367.86	5.85	-100.62
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300000555190	1	42	-2.0	-112.30	367.42	8.40	-103.90
CCC1=CC([N-]S(=O)(=O)C2=C(F)C=CC(F)=C2OC)=CC=C1C(=O)[O-]	REAL300000555191	0	38	-2.0	-112.25	335.63	6.85	-105.40
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=CC=C1C(=O)[O-]	REAL300000555192	0	40	-2.0	-115.60	353.15	6.83	-108.77
CCC1=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=CC=C1C(=O)[O-]	REAL300000555193	0	31	-2.0	-107.39	304.92	5.64	-101.75
CCC1=CC([N-]S(=O)(=O)C2=CC(Br)=NN2C)=CC=C1C(=O)[O-]	REAL300000555194	0	34	-2.0	-97.55	321.43	4.32	-93.23
CCC1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000555195	0	36	-2.0	-100.04	333.67	5.39	-94.65
CCC1=CC([N-]S(=O)(=O)C2=C3N=CC=CN3N=C2C)=CC=C1C(=O)[O-]	REAL300000555196	0	39	-2.0	-123.87	341.28	5.79	-118.08
CCC1=CC([N-]S(=O)(=O)C2=CN=NN2CC)=CC=C1C(=O)[O-]	REAL300000555197	0	36	-2.0	-96.90	313.46	3.54	-93.36
CCC1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=CC=C1C(=O)[O-]	REAL300000555199	1	35	-2.0	-98.95	314.37	4.99	-93.96
CCC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=CC=C1C(=O)[O-]	REAL300000555200	0	37	-2.0	-111.42	338.34	7.63	-103.79
CCC1=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=CC=C1C(=O)[O-]	REAL300000555201	0	37	-2.0	-123.80	344.10	5.90	-117.90
CCC1=CC([N-]S(=O)(=O)C2=CC(C3CC3)=NN2C)=CC=C1C(=O)[O-]	REAL300000555202	0	41	-2.0	-102.55	350.12	5.97	-96.58
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(OC)=C2OC)=CC=C1C(=O)[O-]	REAL300000555204	0	42	-2.0	-114.99	354.94	6.11	-108.88
CCC1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300000555206	0	37	-2.0	-111.81	328.96	6.48	-105.33
CCC1=CC([N-]S(=O)(=O)C2=C(F)C=CC(OC)=C2OC)=CC=C1C(=O)[O-]	REAL300000555207	0	42	-2.0	-117.56	358.63	6.51	-111.05
CCC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCCC2)=CC=C1C(=O)[O-]	REAL300000555208	0	47	-2.0	-111.42	388.28	7.11	-104.31
CCC1=CC([N-]S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000555209	0	38	-2.0	-114.28	350.34	8.14	-106.14
CCC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CC2)=CC=C1C(=O)[O-]	REAL300000555210	0	41	-2.0	-110.54	354.78	6.13	-104.41
CCC1=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=CC=C1C(=O)[O-]	REAL300000555212	0	37	-2.0	-117.21	328.92	5.41	-111.80
CCC1=CC([N-]S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=CC=C1C(=O)[O-]	REAL300000555213	0	39	-2.0	-126.93	344.03	4.60	-122.33
CCC1=CC([N-]S(=O)(=O)C2=C3C(=CC=C2)C=CN3C)=CC=C1C(=O)[O-]	REAL300000555214	0	41	-2.0	-111.25	340.43	8.11	-103.14
CCC1=CC([N-]S(=O)(=O)C2=CN=C(N)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000555215	1	38	-2.0	-109.31	327.23	3.90	-105.41
CCC1=CC([N-]S(=O)(=O)C2=CSN=C2OC)=CC=C1C(=O)[O-]	REAL300000555216	0	34	-2.0	-106.86	316.77	2.07	-104.79
CCC1=CC([N-]S(=O)(=O)C2=C(C)NC=N2)=CC=C1C(=O)[O-]	REAL300000555217	0	34	-2.0	-117.84	299.91	4.21	-113.63
CCC1=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300000555219	1	37	-2.0	-108.01	333.19	6.58	-101.43
CCC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCC2)=CC=C1C(=O)[O-]	REAL300000555220	0	44	-2.0	-110.84	371.06	6.61	-104.23
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=CC=C1C(=O)[O-]	REAL300000555222	0	31	-2.0	-106.95	305.33	5.74	-101.21
CCC1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000555223	0	44	-2.0	-107.55	373.46	6.84	-100.71
CCC1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=CC=C1C(=O)[O-]	REAL300000555224	0	38	-2.0	-113.43	336.22	7.39	-106.04
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000555225	1	47	-2.0	-119.13	389.33	4.60	-114.53
CCC1=CC([N-]S(=O)(=O)C2=C(OC)C=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000555226	0	43	-2.0	-135.12	364.97	7.41	-127.71
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000555227	1	43	-2.0	-111.71	363.60	8.40	-103.31
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=NN2C)=CC=C1C(=O)[O-]	REAL300000555228	0	40	-2.0	-100.94	355.76	4.54	-96.40
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=CC=C1C(=O)[O-]	REAL300000555229	0	35	-2.0	-112.29	323.69	6.54	-105.75
CCC1=CC([N-]S(=O)(=O)C2=C3CCCC3=NN2C)=CC=C1C(=O)[O-]	REAL300000555230	0	41	-2.0	-106.83	345.16	5.73	-101.10
CCC1=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000555231	0	38	-2.0	-96.42	355.93	7.54	-88.88
CCC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000555234	0	43	-2.0	-101.61	346.44	6.11	-95.50
CCC1=CC([N-]S(=O)(=O)C2=CN(C(C)(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000555235	0	43	-2.0	-107.91	363.98	5.92	-101.99
CCC1=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=CC=C1C(=O)[O-]	REAL300000555236	0	41	-2.0	-107.90	348.04	5.29	-102.61
CCC1=CC([N-]S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000555237	0	39	-2.0	-99.80	350.14	6.01	-93.79
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000555238	1	45	-2.0	-106.87	373.75	7.01	-99.86
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000555239	1	36	-2.0	-93.98	338.51	6.95	-87.03
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000555240	1	37	-2.0	-100.52	344.63	7.27	-93.25
CCC1=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=CC=C1C(=O)[O-]	REAL300000555241	1	37	-2.0	-109.92	327.52	7.02	-102.90
CCC1=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=CC=C1C(=O)[O-]	REAL300000555242	0	34	-2.0	-108.36	320.96	6.57	-101.79
CCC1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000555243	0	34	-2.0	-101.64	331.26	6.31	-95.33
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=NN2C)=CC=C1C(=O)[O-]	REAL300000555244	0	37	-2.0	-102.37	321.36	4.40	-97.97
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=CC=C1C(=O)[O-]	REAL300000555247	1	37	-2.0	-108.42	326.91	7.22	-101.20
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000555248	1	45	-2.0	-119.81	383.77	8.22	-111.59
CCC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)=CC=C1C(=O)[O-]	REAL300000555250	1	44	-2.0	-113.23	379.76	7.89	-105.34
CCC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300000555252	0	39	-2.0	-107.80	357.97	6.66	-101.14
CCC1=CC([N-]S(=O)(=O)C2=CC=C(COC(C)=O)C=C2)=CC=C1C(=O)[O-]	REAL300000555253	1	43	-2.0	-110.24	377.94	7.85	-102.39
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=CC=C1C(=O)[O-]	REAL300000555254	0	35	-2.0	-109.28	331.80	7.04	-102.24
CCC1=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000555255	0	34	-2.0	-109.50	319.51	6.44	-103.06
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=CC=C1C(=O)[O-]	REAL300000555256	1	41	-2.0	-111.51	348.75	8.31	-103.20
CCC1=CC([N-]S(=O)(=O)C2=C(OC)SC=C2)=CC=C1C(=O)[O-]	REAL300000555257	0	35	-2.0	-113.83	321.72	4.65	-109.18
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000555258	0	37	-2.0	-108.25	331.45	7.64	-100.61
CCC1=CC([N-]S(=O)(=O)C2=CC(C(=O)OC)=C(C)S2)=CC=C1C(=O)[O-]	REAL300000555259	0	40	-2.0	-104.76	365.66	6.55	-98.21
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=CC=C1C(=O)[O-]	REAL300000555260	0	41	-2.0	-112.82	354.20	8.37	-104.45
CCC1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=CC=C1C(=O)[O-]	REAL300000555261	0	44	-2.0	-104.38	364.24	6.82	-97.56
CCC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)CC)=CC=C1C(=O)[O-]	REAL300000555262	0	43	-2.0	-105.41	360.65	6.03	-99.38
CCC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)=CC=C1C(=O)[O-]	REAL300000555265	0	37	-2.0	-115.33	353.12	2.69	-112.64
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=NN(C)N=C32)=CC=C1C(=O)[O-]	REAL300000555266	0	39	-2.0	-119.28	343.12	4.57	-114.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)O1	REAL300000555267	0	37	-2.0	-108.81	325.56	5.81	-103.00
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=CC=C1C(=O)[O-]	REAL300000555268	0	34	-2.0	-101.77	323.33	5.43	-96.34
CCC1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2OC)=CC=C1C(=O)[O-]	REAL300000555269	0	38	-2.0	-106.38	340.11	6.11	-100.27
CCC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)=CC=C1C(=O)[O-]	REAL300000555270	0	48	-2.0	-109.66	397.83	5.34	-104.32
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000555271	1	40	-2.0	-109.66	352.40	7.72	-101.94
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000555272	1	38	-2.0	-109.39	338.46	5.77	-103.62
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC)S2)=CC=C1C(=O)[O-]	REAL300000555274	0	35	-2.0	-106.56	323.33	4.65	-101.91
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000555275	0	45	-2.0	-127.23	370.70	8.53	-118.70
CCC1=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=CC=C1C(=O)[O-]	REAL300000555277	0	37	-2.0	-104.78	332.16	4.90	-99.88
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000555278	1	44	-2.0	-112.62	376.11	6.88	-105.74
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2CCl)=CC=C1C(=O)[O-]	REAL300000555279	0	37	-2.0	-104.48	351.16	5.67	-98.81
CCC1=CC([N-]S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)=CC=C1C(=O)[O-]	REAL300000555280	0	44	-2.0	-104.46	379.15	7.40	-97.06
CCC1=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=CC=C1C(=O)[O-]	REAL300000555281	0	47	-2.0	-106.69	385.90	7.15	-99.54
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=CC=C1C(=O)[O-]	REAL300000555283	1	37	-2.0	-112.47	321.12	7.12	-105.35
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)[O-])C(CC)=C1	REAL300000555284	1	46	-2.0	-115.09	386.17	8.80	-106.29
CCC1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC=C1C(=O)[O-]	REAL300000555285	0	37	-2.0	-112.03	324.71	6.59	-105.44
CCC1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=CC=C1C(=O)[O-]	REAL300000555286	1	36	-2.0	-111.13	330.43	5.59	-105.54
CCC1=CC([N-]S(=O)(=O)C2=NN(CC)N=C2)=CC=C1C(=O)[O-]	REAL300000555287	0	36	-2.0	-106.60	320.19	3.07	-103.53
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)N(CC)N=C2)=CC=C1C(=O)[O-]	REAL300000555288	0	37	-2.0	-104.99	341.18	5.14	-99.85
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)=CC=C1C(=O)[O-]	REAL300000555289	0	36	-2.0	-102.89	339.70	5.39	-97.50
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=CC=C1C(=O)[O-]	REAL300000555290	0	31	-2.0	-102.92	299.24	4.82	-98.10
CCC1=CC([N-]S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)=CC=C1C(=O)[O-]	REAL300000555291	1	39	-2.0	-118.52	352.72	7.17	-111.35
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300000555292	1	43	-2.0	-119.41	358.31	9.05	-110.36
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=CC=C1C(=O)[O-]	REAL300000555294	0	34	-2.0	-104.11	326.70	6.80	-97.31
CCC1=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C)O2)=CC=C1C(=O)[O-]	REAL300000555295	0	40	-2.0	-118.60	363.10	2.50	-116.10
CCC1=CC([N-]S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000555296	0	44	-2.0	-112.69	376.56	7.61	-105.08
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=CC=C1C(=O)[O-]	REAL300000555298	0	38	-2.0	-109.78	343.00	7.52	-102.26
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000555299	1	37	-2.0	-100.21	344.96	7.01	-93.20
CCC1=CC([N-]S(=O)(=O)C2=C(Br)C=NS2)=CC=C1C(=O)[O-]	REAL300000555301	0	30	-2.0	-99.01	303.47	4.63	-94.38
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CO2)=CC=C1C(=O)[O-]	REAL300000555302	0	34	-2.0	-108.07	304.06	4.87	-103.20
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=NN1	REAL300000555304	0	40	-2.0	-106.90	359.68	4.01	-102.89
CCC1=CC([N-]S(=O)(=O)C2=C(OC)C(OC)=CS2)=CC=C1C(=O)[O-]	REAL300000555305	0	39	-2.0	-111.65	352.19	4.21	-107.44
CCC1=CC(NS(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000555306	0	35	-2.0	-92.15	338.68	5.21	-86.94
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C([O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300000555306	1	34	-3.0	-161.48	335.77	5.22	-156.26
CCC1=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000555307	0	33	-2.0	-95.49	317.11	4.84	-90.65
CCC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000555308	1	38	-2.0	-108.44	345.01	5.85	-102.59
CCC1=CC([N-]S(=O)(=O)C2=C3C=CC=CC3=NN2C)=CC=C1C(=O)[O-]	REAL300000555309	0	40	-2.0	-107.23	343.60	6.13	-101.10
CCC1=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=CC=C1C(=O)[O-]	REAL300000555310	1	41	-2.0	-116.47	353.19	7.97	-108.50
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300000555311	0	37	-2.0	-111.42	330.16	7.58	-103.84
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=CC=C1C(=O)[O-]	REAL300000555312	0	31	-2.0	-98.71	324.56	6.31	-92.40
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300000555313	0	34	-2.0	-104.65	319.34	4.26	-100.39
CCC1=CC([N-]S(=O)(=O)C2=C(C)N(C3=CC=CC=C3)N=C2C)=CC=C1C(=O)[O-]	REAL300000555314	0	47	-2.0	-110.11	392.71	8.63	-101.48
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000555315	1	39	-2.0	-107.27	352.15	6.87	-100.40
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300000555316	1	45	-2.0	-111.36	388.39	9.05	-102.31
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=CC=C1C(=O)[O-]	REAL300000555317	1	40	-2.0	-122.50	337.32	8.03	-114.47
CCC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=CC=C1C(=O)[O-]	REAL300000555318	0	32	-2.0	-109.83	301.33	4.67	-105.16
CCC1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)=CC=C1C(=O)[O-]	REAL300000555319	1	39	-2.0	-106.94	354.35	4.79	-102.15
CCC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=CC=C1C(=O)[O-]	REAL300000555320	0	35	-2.0	-110.52	341.03	4.99	-105.53
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)S1	REAL300000555321	0	43	-2.0	-112.61	381.11	5.25	-107.36
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)S1	REAL300000555321	1	42	-3.0	-169.95	377.81	4.12	-165.83
CCC1=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2C)=CC=C1C(=O)[O-]	REAL300000555322	0	36	-2.0	-101.14	327.26	5.59	-95.55
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)=C1	REAL300000555323	1	45	-2.0	-113.11	382.52	7.80	-105.31
CCC1=CC([N-]S(=O)(=O)C2=CN(CC)N=C2C2CC2)=CC=C1C(=O)[O-]	REAL300000555324	0	44	-2.0	-110.69	376.31	7.00	-103.69
CCC1=CC([N-]S(=O)(=O)C2=C(C)C=CC3=NSN=C32)=CC=C1C(=O)[O-]	REAL300000555325	0	38	-2.0	-117.69	337.25	5.57	-112.12
CCC1=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=CC=C1C(=O)[O-]	REAL300000555326	1	40	-2.0	-108.01	361.85	8.98	-99.03
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=NN2C2CCCC2)=CC=C1C(=O)[O-]	REAL300000555329	0	47	-2.0	-105.37	385.96	7.40	-97.97
CCC1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC=C1C(=O)[O-]	REAL300000555330	0	31	-2.0	-105.97	298.28	4.71	-101.26
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CC=C1C(=O)[O-]	REAL300000555331	0	31	-2.0	-103.53	308.00	5.71	-97.82
CCC1=CC([N-]S(=O)(=O)C2=CC(CCOC)=CC=C2OC)=CC=C1C(=O)[O-]	REAL300000555332	0	48	-2.0	-118.34	404.01	6.48	-111.86
CCC1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=CC=C1C(=O)[O-]	REAL300000555333	0	40	-2.0	-113.63	358.38	9.04	-104.59
CCC1=CC([N-]S(=O)(=O)C2=C3COCCC3=NN2C)=CC=C1C(=O)[O-]	REAL300000555334	0	42	-2.0	-103.75	351.80	3.95	-99.80
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC)N=C2C)=CC=C1C(=O)[O-]	REAL300000555339	1	40	-2.0	-103.32	342.36	3.64	-99.68
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CN=C2OC)=CC=C1C(=O)[O-]	REAL300000555340	0	40	-2.0	-113.85	346.92	4.04	-109.81
CCC1=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2OC)=CC=C1C(=O)[O-]	REAL300000555341	0	37	-2.0	-107.79	342.23	3.89	-103.90
CCC1=CC([N-]S(=O)(=O)C2=CN=C(OC)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000555342	1	40	-2.0	-104.16	346.79	3.62	-100.54
CCC1=CC([N-]S(=O)(=O)C2=CN(CC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000555343	0	43	-2.0	-107.33	366.93	6.30	-101.03
CCC1=CC([N-]S(=O)(=O)C2=CN(C(C)C)N=C2C)=CC=C1C(=O)[O-]	REAL300000555344	0	43	-2.0	-108.19	363.09	5.93	-102.26
CCC1=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=CC=C1C(=O)[O-]	REAL300000555345	0	33	-2.0	-105.97	326.81	4.18	-101.79
CCC1=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=CC=C1C(=O)[O-]	REAL300000555346	0	32	-2.0	-109.01	302.46	4.61	-104.40
CCC1=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=CC=C1C(=O)[O-]	REAL300000555347	0	32	-2.0	-112.92	311.54	5.54	-107.38
CCC1=CC([N-]S(=O)(=O)C2=CC=NN2C(C)C)=CC=C1C(=O)[O-]	REAL300000555348	0	40	-2.0	-103.05	341.20	5.46	-97.59
CCC1=CC([N-]S(=O)(=O)C2=CN=C(C(=O)OC)C(C)=C2)=CC=C1C(=O)[O-]	REAL300000555349	0	42	-2.0	-101.76	366.20	5.57	-96.19
CCC1=CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C(=O)[O-]	REAL300000555350	0	44	-2.0	-99.00	376.62	8.64	-90.36
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1C(=O)[O-]	REAL300000555350	1	43	-3.0	-169.74	373.79	8.64	-161.10
CCC1=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300000555351	0	37	-2.0	-115.83	341.77	8.01	-107.82
CCC1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CC=C1C(=O)[O-]	REAL300000555352	0	41	-2.0	-102.92	351.73	6.32	-96.60
CCC1=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300000555353	0	41	-2.0	-108.18	353.15	7.35	-100.83
CCC1=CC([N-]S(=O)(=O)C2=C(C)N(C(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300000555355	0	43	-2.0	-108.97	362.57	6.01	-102.96
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000555356	1	41	-2.0	-116.78	359.28	8.40	-108.38
CCC1=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000555357	0	36	-2.0	-104.41	326.88	5.22	-99.19
CCC1=CC([N-]S(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)=CC=C1C(=O)[O-]	REAL300000555358	0	34	-2.0	-107.44	338.59	2.33	-105.11
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000555360	1	41	-2.0	-111.14	360.73	8.43	-102.71
CCC1=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=CC=C1C(=O)[O-]	REAL300000555361	0	38	-2.0	-111.57	349.64	6.65	-104.92
CCC1=CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C(=O)[O-]	REAL300000555362	0	44	-2.0	-102.61	375.89	8.64	-93.97
CCC1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1C(=O)[O-]	REAL300000555362	1	43	-3.0	-174.76	373.39	8.65	-166.11
CCC1=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=CC=C1C(=O)[O-]	REAL300000555363	1	35	-2.0	-110.48	310.23	3.33	-107.15
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2CC(=O)OC)=CC=C1C(=O)[O-]	REAL300000555364	1	43	-2.0	-114.25	364.31	7.88	-106.37
CCC1=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000555365	0	37	-2.0	-119.15	338.85	7.18	-111.97
CCC1=CC([N-]S(=O)(=O)C2=CSN=C2)=CC=C1C(=O)[O-]	REAL300000555366	0	30	-2.0	-100.37	285.14	3.81	-96.56
CCC1=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300000555367	0	38	-2.0	-119.34	347.36	5.46	-113.88
CCC1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=CC=C1C(=O)[O-]	REAL300000555368	1	41	-2.0	-116.41	355.31	8.50	-107.91
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(Cl)=C2Cl)=CC=C1C(=O)[O-]	REAL300000555369	0	37	-2.0	-108.87	346.56	7.81	-101.06
CCC1=CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000555370	0	41	-2.0	-108.72	367.43	7.25	-101.47
CCC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C=C2C(F)F)=CC=C1C(=O)[O-]	REAL300000555371	1	41	-2.0	-116.25	349.94	6.78	-109.47
CCC1=CC([N-]S(=O)(=O)C2=CN=CC=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000555372	0	39	-2.0	-117.62	340.28	5.79	-111.83
CCC1=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2C(=O)OC)=CC=C1C(=O)[O-]	REAL300000555373	0	40	-2.0	-127.42	348.75	7.73	-119.69
CCC1=CC([N-]S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300000555374	0	42	-2.0	-126.80	356.91	7.36	-119.44
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C(=O)[O-])C(CC)=C2)C=C(C(=O)[O-])O1	REAL300000555375	0	39	-3.0	-168.69	349.78	6.75	-161.94
CCC1=C(S(=O)(=O)NC2=CC=C(C(=O)[O-])C(CC)=C2)C=C(C(=O)[O-])O1	REAL300000555375	1	40	-2.0	-113.56	353.03	6.19	-107.37
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300000555376	0	47	-2.0	-120.26	389.19	8.22	-112.04
CCC1=CC([N-]S(=O)(=O)C2=C(C)SC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000555377	1	34	-2.0	-103.59	324.46	6.58	-97.01
CCC1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC=C1C(=O)[O-]	REAL300000555378	0	30	-2.0	-104.72	286.07	3.31	-101.41
CCC1=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=CC=C1C(=O)[O-]	REAL300000555379	0	41	-2.0	-109.95	345.20	5.52	-104.43
CCC1=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2F)=CC=C1C(=O)[O-]	REAL300000555380	0	37	-2.0	-114.83	326.11	6.92	-107.91
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1	REAL300000555381	1	42	-2.0	-89.64	370.08	5.76	-83.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=CC=C1F	REAL300000555382	1	35	-2.0	-106.59	318.15	7.21	-99.38
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CC1	REAL300000555383	0	43	-2.0	-107.67	373.22	8.26	-99.41
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555384	0	35	-2.0	-104.06	330.02	7.88	-96.18
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555386	1	35	-2.0	-109.58	313.61	7.17	-102.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CC1	REAL300000555387	0	39	-2.0	-115.22	341.75	6.97	-108.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=CC=C1Br	REAL300000555388	1	35	-2.0	-104.78	329.86	7.66	-97.12
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1	REAL300000555389	1	39	-2.0	-95.78	345.07	8.47	-87.31
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555391	0	35	-2.0	-104.86	326.68	7.75	-97.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=CC=C1Cl	REAL300000555392	1	35	-2.0	-105.14	326.12	7.57	-97.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C(Cl)C=C1Cl	REAL300000555393	0	35	-2.0	-100.37	339.17	8.13	-92.24
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1C	REAL300000555394	1	41	-2.0	-112.33	346.71	8.50	-103.83
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555395	0	35	-2.0	-107.01	319.09	7.24	-99.77
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1	REAL300000555396	1	41	-2.0	-95.17	357.18	8.76	-86.41
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555397	0	32	-2.0	-103.67	306.79	6.19	-97.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CC1	REAL300000555398	1	38	-2.0	-110.36	329.04	7.95	-102.41
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1C(=O)[O-]	REAL300000555400	1	36	-2.0	-107.83	320.25	6.52	-101.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555402	0	35	-2.0	-99.69	322.72	6.86	-92.83
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COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=CC(C(=O)[O-])=C1OC	REAL300000555405	1	43	-2.0	-110.06	371.93	6.98	-103.08
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555407	1	45	-2.0	-114.55	368.85	9.80	-104.75
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CC1	REAL300000555408	1	44	-2.0	-112.60	367.50	9.18	-103.42
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CC1	REAL300000555409	1	41	-2.0	-108.20	343.03	8.87	-99.33
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CC1	REAL300000555410	0	42	-2.0	-115.68	364.04	7.74	-107.94
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2CC2)=CC(C(=O)[O-])=C1	REAL300000555411	0	38	-2.0	-108.82	340.60	7.67	-101.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=CC(C(=O)[O-])=C1	REAL300000555411	1	37	-3.0	-186.15	342.01	7.74	-178.41
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555412	1	42	-2.0	-114.90	357.85	9.06	-105.84
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C(C(=O)[O-])O1	REAL300000555413	0	35	-2.0	-103.18	316.61	6.31	-96.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=CC2=C1OCCO2	REAL300000555414	1	41	-2.0	-114.50	355.77	6.95	-107.55
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555415	0	39	-2.0	-110.00	342.59	6.27	-103.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=CC(Cl)=C1Cl	REAL300000555417	1	35	-2.0	-98.89	341.28	8.03	-90.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C(Cl)C=C1F	REAL300000555418	0	35	-2.0	-101.33	331.20	7.76	-93.57
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1Cl	REAL300000555419	1	39	-2.0	-92.86	360.70	7.99	-84.87
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1F	REAL300000555421	1	45	-2.0	-93.44	393.35	8.42	-85.02
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CC1	REAL300000555422	1	38	-2.0	-100.68	334.31	7.98	-92.70
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1F	REAL300000555424	1	39	-2.0	-93.75	350.90	7.51	-86.24
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C(C(=O)[O-])S1	REAL300000555426	1	35	-2.0	-106.68	322.23	7.07	-99.61
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555427	0	35	-2.0	-98.54	341.83	8.19	-90.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C(Cl)=C1	REAL300000555428	0	35	-2.0	-93.74	326.66	7.74	-86.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C(Br)=C1	REAL300000555429	1	35	-2.0	-93.07	330.01	7.87	-85.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1F	REAL300000555430	1	35	-2.0	-95.86	318.12	7.21	-88.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)S1	REAL300000555431	0	32	-2.0	-98.38	305.86	6.30	-92.08
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555432	1	35	-2.0	-100.09	320.01	7.24	-92.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1F	REAL300000555433	0	38	-2.0	-108.46	339.36	7.88	-100.58
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C(Cl)C=C1C(=O)[O-]	REAL300000555434	0	39	-2.0	-98.41	353.92	7.79	-90.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C(F)=C1	REAL300000555435	0	35	-2.0	-96.03	319.07	7.25	-88.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1Cl	REAL300000555436	1	35	-2.0	-94.00	326.09	7.58	-86.42
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CC1	REAL300000555437	1	38	-2.0	-102.42	343.05	8.37	-94.05
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1	REAL300000555438	1	43	-2.0	-92.47	377.35	8.59	-83.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1Br	REAL300000555439	1	35	-2.0	-93.62	329.83	7.67	-85.95
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=CC(F)=C1F	REAL300000555440	1	35	-2.0	-98.05	324.43	7.27	-90.78
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555441	1	37	-2.0	-94.13	341.80	7.83	-86.30
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555442	0	36	-2.0	-109.20	323.32	4.89	-104.31
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC=C2C2CC2)=C1	REAL300000555442	1	36	-2.0	-107.82	320.67	5.72	-102.10
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1	REAL300000555443	1	38	-2.0	-101.02	335.78	7.95	-93.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=CC(Cl)=C1F	REAL300000555444	1	35	-2.0	-99.56	334.31	7.71	-91.85
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CC1	REAL300000555445	1	38	-2.0	-105.13	323.67	7.80	-97.33
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=CC(C(=O)[O-])=C1F	REAL300000555446	1	38	-2.0	-108.27	338.44	7.83	-100.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=CC=C1[N+](=O)[O-]	REAL300000555449	0	37	-2.0	-107.21	340.16	8.26	-98.95
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555450	0	35	-2.0	-98.35	325.34	7.30	-91.05
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1C(=O)[O-]	REAL300000555452	0	38	-2.0	-109.36	338.93	7.87	-101.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1Cl	REAL300000555453	0	38	-2.0	-106.72	345.37	8.31	-98.41
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555454	0	38	-2.0	-114.24	338.65	7.87	-106.37
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CC1	REAL300000555457	1	38	-2.0	-98.43	339.88	8.34	-90.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1C(F)(F)F	REAL300000555458	1	38	-2.0	-92.87	343.72	7.99	-84.88
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=CC(C(=O)[O-])=C1Cl	REAL300000555459	1	38	-2.0	-107.19	344.83	8.13	-99.06
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555460	1	35	-2.0	-102.05	334.90	7.79	-94.26
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1C(=O)[O-]	REAL300000555461	1	39	-2.0	-109.11	341.55	7.39	-101.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C(F)C(Cl)=C1F	REAL300000555463	0	35	-2.0	-96.93	339.21	7.73	-89.20
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1C(=O)[O-]	REAL300000555464	1	38	-2.0	-102.88	343.47	8.14	-94.74
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C(C(=O)[O-])S1	REAL300000555465	0	44	-2.0	-105.72	363.06	9.30	-96.42
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1C(=O)[O-]	REAL300000555466	0	39	-2.0	-110.49	353.93	7.80	-102.69
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C([N+](=O)[O-])=C1	REAL300000555468	0	40	-2.0	-101.27	356.87	9.37	-91.90
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1[N+](=O)[O-]	REAL300000555470	0	37	-2.0	-116.09	337.35	9.02	-107.07
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1F	REAL300000555471	0	35	-2.0	-113.37	317.27	7.21	-106.16
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C1C(=O)[O-]	REAL300000555472	1	38	-2.0	-101.14	334.77	7.75	-93.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=CC2=CC=CC=C21	REAL300000555473	1	41	-2.0	-117.91	354.65	9.29	-108.62
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C1	REAL300000555474	0	34	-2.0	-107.50	309.82	5.30	-102.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1CC1	REAL300000555475	0	39	-2.0	-100.85	341.81	6.97	-93.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)=C(Cl)O1	REAL300000555476	0	32	-2.0	-96.90	313.71	6.15	-90.75
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3CC3)C=C2)CC1	REAL300000555477	1	42	-2.0	-103.30	359.73	9.06	-94.24
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3CC3)C=C2C1	REAL300000555478	1	42	-2.0	-106.97	359.04	9.05	-97.92
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2CC2)C=C(C(=O)[O-])O1	REAL300000555479	0	38	-2.0	-102.83	335.73	7.16	-95.67
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555480	1	46	-2.0	-117.71	390.78	8.11	-109.60
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555481	1	43	-2.0	-118.78	373.59	7.30	-111.48
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1	REAL300000555484	0	37	-2.0	-124.32	327.32	6.92	-117.40
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300000555485	0	40	-2.0	-96.66	360.66	6.26	-90.40
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1	REAL300000555486	0	36	-2.0	-107.44	332.43	5.30	-102.14
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2)=C1	REAL300000555487	1	38	-2.0	-111.73	339.69	7.03	-104.70
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2)=C1	REAL300000555488	1	38	-2.0	-108.69	341.38	7.07	-101.62
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300000555489	0	37	-2.0	-114.01	341.04	7.22	-106.79
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C#N)=C1	REAL300000555490	0	38	-2.0	-127.03	338.64	6.95	-120.08
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1	REAL300000555491	0	37	-2.0	-117.20	337.05	7.38	-109.82
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000555492	0	40	-2.0	-112.20	358.45	7.10	-105.10
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000555492	1	39	-3.0	-188.95	353.56	7.27	-181.68
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1	REAL300000555494	1	46	-2.0	-113.69	381.62	6.57	-107.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000555495	1	42	-2.0	-116.63	364.76	7.88	-108.75
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555496	0	40	-2.0	-112.17	336.81	4.51	-107.66
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300000555497	1	40	-2.0	-107.99	357.57	7.64	-100.35
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1	REAL300000555498	1	47	-2.0	-118.78	381.52	9.13	-109.65
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000555499	0	40	-2.0	-99.58	353.71	7.08	-92.50
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555500	0	45	-2.0	-124.80	378.30	5.75	-119.05
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1OC	REAL300000555501	1	45	-2.0	-115.28	377.56	5.84	-109.44
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1	REAL300000555502	1	44	-2.0	-119.80	366.08	8.58	-111.22
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555503	0	39	-2.0	-106.23	333.74	5.65	-100.58
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1	REAL300000555504	1	37	-2.0	-107.46	350.73	7.62	-99.84
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000555505	0	40	-2.0	-103.75	353.80	7.08	-96.67
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000555505	1	39	-3.0	-186.81	347.27	7.21	-179.60
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300000555506	1	37	-2.0	-107.11	333.27	6.80	-100.31
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1	REAL300000555507	0	37	-2.0	-112.62	350.42	7.76	-104.86
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300000555508	1	40	-2.0	-112.26	359.64	7.69	-104.57
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555509	1	40	-2.0	-118.22	341.98	7.34	-110.88
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1	REAL300000555511	0	40	-2.0	-121.14	346.42	8.07	-113.07
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300000555512	1	37	-2.0	-113.02	337.29	7.19	-105.83
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555513	1	42	-2.0	-114.66	361.04	7.09	-107.57
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555514	1	43	-2.0	-116.83	355.70	8.08	-108.75
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1	REAL300000555516	1	37	-2.0	-106.67	341.41	7.21	-99.46
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555517	1	42	-2.0	-125.25	359.29	7.03	-118.22
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555519	0	43	-2.0	-130.09	364.05	8.03	-122.06
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555520	1	46	-2.0	-111.03	397.20	8.27	-102.76
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1	REAL300000555521	0	37	-2.0	-115.71	348.88	7.69	-108.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000555522	1	43	-2.0	-111.92	374.33	7.38	-104.54
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555523	1	49	-2.0	-117.19	396.76	9.00	-108.19
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555524	1	46	-2.0	-116.99	380.79	8.60	-108.39
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555525	1	49	-2.0	-116.89	399.24	9.27	-107.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555526	0	43	-3.0	-190.65	375.42	7.00	-183.65
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555526	1	44	-2.0	-102.08	378.13	6.96	-95.12
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000555527	0	44	-2.0	-100.75	383.19	8.50	-92.25
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000555527	1	43	-3.0	-173.15	378.74	8.50	-164.65
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1	REAL300000555528	0	37	-2.0	-116.87	342.42	7.96	-108.91
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300000555529	0	34	-2.0	-108.85	327.79	6.27	-102.58
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555530	1	46	-2.0	-116.81	384.97	8.90	-107.91
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555531	0	41	-2.0	-124.02	348.82	6.47	-117.55
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000555532	0	43	-2.0	-112.68	371.47	7.65	-105.03
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1	REAL300000555533	0	37	-2.0	-112.61	336.91	6.83	-105.78
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1	REAL300000555534	1	37	-2.0	-107.42	352.27	7.67	-99.75
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1	REAL300000555535	0	37	-2.0	-118.38	333.69	7.24	-111.14
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1	REAL300000555536	1	37	-2.0	-112.37	340.10	7.26	-105.11
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300000555537	1	39	-2.0	-111.80	347.03	7.31	-104.49
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555538	1	42	-2.0	-109.73	362.52	8.08	-101.65
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=C1	REAL300000555539	1	39	-2.0	-108.20	359.49	7.69	-100.51
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300000555540	0	34	-2.0	-115.40	312.49	5.69	-109.71
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300000555542	0	39	-2.0	-127.77	337.36	8.03	-119.74
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000555543	0	39	-3.0	-180.46	360.34	7.76	-172.70
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000555543	1	40	-2.0	-95.90	362.98	7.76	-88.14
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000555544	0	40	-2.0	-109.14	366.43	7.45	-101.69
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000555544	1	39	-3.0	-187.92	361.54	7.65	-180.27
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1	REAL300000555547	0	37	-2.0	-113.23	330.71	6.77	-106.46
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300000555548	1	37	-2.0	-112.46	325.21	6.71	-105.75
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1	REAL300000555549	0	37	-2.0	-107.29	333.38	6.81	-100.48
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300000555551	1	43	-2.0	-117.97	365.07	5.83	-112.14
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555553	1	52	-2.0	-117.86	410.50	9.73	-108.13
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300000555554	1	37	-2.0	-110.33	337.30	7.19	-103.14
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1	REAL300000555555	1	37	-2.0	-110.33	341.87	7.30	-103.03
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300000555556	0	39	-2.0	-104.05	347.04	7.31	-96.74
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000555557	1	37	-2.0	-116.86	318.80	6.64	-110.22
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555558	1	44	-2.0	-121.03	375.19	5.52	-115.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)S1	REAL300000555559	0	37	-2.0	-115.90	332.63	6.45	-109.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1C	REAL300000555560	0	46	-2.0	-103.09	380.82	8.12	-94.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1C	REAL300000555560	1	45	-3.0	-186.54	379.95	8.54	-178.00
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555561	0	41	-2.0	-116.00	363.80	6.94	-109.06
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=C1	REAL300000555562	0	39	-2.0	-118.44	355.80	8.59	-109.85
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000555563	0	39	-3.0	-183.94	354.50	7.30	-176.64
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1	REAL300000555564	0	34	-2.0	-106.59	342.02	6.83	-99.76
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555565	1	52	-2.0	-115.95	422.28	10.14	-105.81
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555566	1	42	-2.0	-113.40	357.08	7.91	-105.49
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1	REAL300000555567	0	37	-2.0	-115.67	330.72	6.76	-108.91
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000555568	0	46	-2.0	-99.84	397.30	8.67	-91.17
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000555568	1	45	-3.0	-171.74	390.86	8.78	-162.96
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555569	1	47	-2.0	-120.68	395.48	6.33	-114.35
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)=C1	REAL300000555570	1	41	-2.0	-112.30	356.30	3.51	-108.79
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555571	1	41	-2.0	-114.75	360.77	7.70	-107.05
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)=C1	REAL300000555572	1	42	-2.0	-113.03	362.67	5.13	-107.90
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=C1	REAL300000555573	1	45	-2.0	-114.02	378.64	5.82	-108.20
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000555575	0	36	-3.0	-180.26	340.45	6.22	-174.04
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1	REAL300000555576	1	40	-2.0	-110.38	352.31	4.19	-106.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555578	0	43	-2.0	-102.25	363.91	7.58	-94.67
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555578	1	42	-3.0	-184.84	364.45	8.03	-176.81
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555579	0	43	-2.0	-115.96	357.26	5.73	-110.23
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1C	REAL300000555580	1	45	-2.0	-110.61	381.56	8.69	-101.92
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555581	1	43	-2.0	-111.43	373.58	7.31	-104.12
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555582	1	44	-2.0	-116.72	377.00	4.96	-111.76
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)=C1	REAL300000555583	1	42	-2.0	-117.37	373.07	1.58	-115.79
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555584	0	46	-2.0	-130.50	392.68	8.34	-122.16
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(N)=O)C=C2)=C1	REAL300000555585	1	41	-2.0	-115.92	353.32	3.43	-112.49
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555586	1	43	-2.0	-116.60	361.71	8.07	-108.53
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300000555587	1	43	-2.0	-120.57	366.51	8.95	-111.62
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=CS1	REAL300000555588	0	40	-2.0	-126.75	358.39	6.95	-119.80
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555589	1	47	-2.0	-115.40	395.39	7.14	-108.26
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000555591	0	44	-2.0	-98.15	381.06	7.45	-90.70
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555592	1	49	-2.0	-116.46	399.97	9.31	-107.15
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1	REAL300000555593	1	37	-2.0	-108.93	325.23	6.70	-102.23
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1	REAL300000555594	0	37	-2.0	-122.79	326.06	6.74	-116.05
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C1	REAL300000555595	1	42	-2.0	-111.60	361.19	7.15	-104.45
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555596	0	43	-2.0	-130.64	372.94	5.14	-125.50
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)=C2N=C1	REAL300000555597	0	45	-2.0	-135.01	381.92	7.97	-127.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(Cl)=C1	REAL300000555599	0	40	-2.0	-117.53	353.35	7.87	-109.66
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=C1	REAL300000555600	1	43	-2.0	-112.13	371.29	3.91	-108.22
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)=C1	REAL300000555601	1	42	-2.0	-122.51	373.06	1.59	-120.92
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)=CC=C21	REAL300000555602	1	45	-2.0	-113.25	383.85	7.13	-106.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300000555603	0	43	-2.0	-123.10	366.78	7.32	-115.78
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=C1	REAL300000555604	1	42	-2.0	-109.42	368.26	8.18	-101.24
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)=CC=C21	REAL300000555605	1	43	-2.0	-113.53	372.94	6.61	-106.92
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=C1	REAL300000555606	1	43	-2.0	-122.55	381.28	4.20	-118.35
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=C1	REAL300000555608	1	47	-2.0	-119.83	390.42	10.55	-109.28
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300000555609	0	37	-2.0	-109.90	340.09	7.30	-102.60
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(F)=C1	REAL300000555610	0	44	-2.0	-124.01	382.12	5.63	-118.38
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=C1	REAL300000555611	1	43	-2.0	-125.46	381.26	4.20	-121.26
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1OC	REAL300000555613	0	45	-2.0	-118.10	384.77	5.94	-112.16
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1OC	REAL300000555614	1	48	-2.0	-114.36	394.73	6.65	-107.71
CN1C=C(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000555615	0	41	-2.0	-102.30	360.33	6.40	-95.90
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000555615	1	40	-3.0	-185.48	355.67	6.59	-178.89
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1Cl	REAL300000555616	0	37	-2.0	-125.59	339.06	6.19	-119.40
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(N)=O	REAL300000555617	0	42	-2.0	-114.03	360.85	2.82	-111.21
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555618	0	44	-2.0	-101.87	373.33	6.02	-95.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1Cl	REAL300000555620	1	41	-2.0	-113.70	366.08	6.54	-107.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1F	REAL300000555621	1	41	-2.0	-113.70	356.28	6.05	-107.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(N)=O	REAL300000555624	1	44	-2.0	-110.86	369.42	4.09	-106.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(N)=O	REAL300000555625	1	45	-2.0	-113.00	382.37	4.06	-108.94
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=N1	REAL300000555626	0	37	-2.0	-112.79	325.11	4.40	-108.39
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555627	0	42	-2.0	-103.78	364.27	8.12	-95.66
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CN1C	REAL300000555629	0	45	-2.0	-114.62	383.00	4.30	-110.32
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555630	1	40	-2.0	-111.99	352.77	7.98	-104.01
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)C=N2)C=C1	REAL300000555632	0	47	-2.0	-114.04	400.78	8.44	-105.60
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555635	0	39	-3.0	-179.10	358.13	6.92	-172.18
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)=C1	REAL300000555636	1	38	-2.0	-104.98	356.78	7.49	-97.49
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)=C1	REAL300000555637	1	38	-2.0	-106.30	355.08	7.44	-98.86
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000555638	0	46	-2.0	-101.59	382.34	8.59	-93.00
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3COC(=O)C3=C2)=C1	REAL300000555639	1	41	-2.0	-120.03	358.92	7.05	-112.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1Cl	REAL300000555640	1	40	-2.0	-113.88	356.03	7.79	-106.09
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1	REAL300000555641	0	37	-2.0	-119.89	342.23	7.24	-112.65
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555643	0	43	-2.0	-109.89	375.28	7.10	-102.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000555644	1	47	-2.0	-122.76	388.18	8.31	-114.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1F	REAL300000555645	1	40	-2.0	-113.52	347.29	7.38	-106.14
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555646	1	40	-2.0	-108.91	351.02	7.92	-100.99
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555647	0	40	-2.0	-123.08	347.47	7.41	-115.67
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555648	1	40	-2.0	-111.83	342.44	7.51	-104.32
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C1	REAL300000555649	1	43	-2.0	-115.67	380.62	8.74	-106.93
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555650	0	42	-2.0	-129.58	354.15	8.94	-120.64
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555651	1	47	-2.0	-129.52	389.84	6.36	-123.16
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555652	0	45	-2.0	-134.82	381.83	7.97	-126.85
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000555653	0	36	-3.0	-181.90	338.92	6.23	-175.67
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000555653	1	37	-2.0	-107.37	345.53	6.09	-101.28
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=C1	REAL300000555654	0	39	-2.0	-104.43	360.16	7.87	-96.56
COC1=CC=C(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000555655	0	44	-2.0	-118.28	382.95	7.17	-111.11
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C2=CC=CN=C2C=C1	REAL300000555656	1	45	-2.0	-118.17	368.90	8.02	-110.15
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC=C1O	REAL300000555657	1	44	-2.0	-112.76	384.17	5.38	-107.38
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1	REAL300000555658	0	39	-2.0	-122.91	343.75	8.09	-114.82
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300000555659	1	47	-2.0	-117.33	393.00	10.05	-107.28
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1	REAL300000555660	0	39	-2.0	-128.34	353.95	8.06	-120.28
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555661	0	46	-2.0	-127.47	401.50	5.14	-122.33
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555664	0	41	-2.0	-121.18	351.67	5.04	-116.14
CC1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555664	1	41	-2.0	-110.93	350.89	5.86	-105.07
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2)=C1	REAL300000555665	0	34	-2.0	-111.14	302.15	3.07	-108.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555666	0	46	-2.0	-102.10	381.14	8.48	-93.62
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555666	1	45	-3.0	-181.71	377.44	8.93	-172.78
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1	REAL300000555667	0	40	-2.0	-121.24	358.33	7.53	-113.71
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)S1	REAL300000555668	0	40	-2.0	-109.06	366.68	6.40	-102.66
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C	REAL300000555669	0	45	-2.0	-130.52	378.98	9.29	-121.23
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2COC3=O)=C1	REAL300000555670	1	41	-2.0	-108.24	356.57	7.02	-101.22
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1	REAL300000555671	0	37	-2.0	-114.13	335.47	7.04	-107.09
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000555672	0	39	-3.0	-177.19	352.05	6.38	-170.81
CC1=C(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000555672	1	40	-2.0	-99.50	353.18	6.30	-93.20
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1	REAL300000555673	0	40	-2.0	-138.80	348.75	5.88	-132.92
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555674	0	43	-2.0	-120.83	379.07	7.36	-113.47
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555675	0	47	-2.0	-126.31	392.07	8.06	-118.25
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1	REAL300000555676	0	39	-2.0	-130.16	354.28	8.84	-121.32
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1	REAL300000555677	1	42	-2.0	-124.68	367.09	6.82	-117.86
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1	REAL300000555678	0	36	-2.0	-107.53	336.90	5.48	-102.05
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1	REAL300000555679	0	39	-2.0	-134.15	346.54	8.31	-125.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555680	0	43	-3.0	-198.44	377.94	6.33	-192.11
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555680	1	44	-2.0	-111.47	379.00	6.26	-105.21
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300000555681	0	44	-2.0	-115.83	381.13	7.79	-108.04
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300000555682	0	47	-2.0	-114.02	406.53	8.26	-105.76
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1	REAL300000555683	0	36	-2.0	-107.45	321.98	4.96	-102.49
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555684	0	40	-2.0	-116.20	368.60	6.34	-109.86
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555685	1	45	-2.0	-107.80	377.29	9.03	-98.77
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C32)=C1	REAL300000555686	1	42	-2.0	-117.78	354.97	7.08	-110.70
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1	REAL300000555687	0	36	-2.0	-108.70	343.95	5.77	-102.93
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555688	0	37	-2.0	-125.64	324.57	5.78	-119.86
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)C=C12	REAL300000555690	1	45	-2.0	-110.74	386.88	6.40	-104.34
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)C=C12	REAL300000555691	0	41	-2.0	-105.60	360.31	3.66	-101.94
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)N=C2)=C1	REAL300000555692	0	37	-2.0	-105.68	336.51	5.21	-100.47
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=C1	REAL300000555693	1	46	-2.0	-117.66	400.37	9.48	-108.18
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1	REAL300000555694	0	37	-2.0	-120.71	330.59	6.76	-113.95
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(F)=C1	REAL300000555695	0	41	-2.0	-119.17	356.80	6.22	-112.95
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1	REAL300000555696	0	39	-2.0	-123.84	355.83	8.58	-115.26
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555697	0	43	-2.0	-95.48	367.58	7.59	-87.89
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555697	1	42	-3.0	-174.92	367.98	8.02	-166.90
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1	REAL300000555698	0	43	-2.0	-122.36	361.95	6.27	-116.09
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CN1C	REAL300000555699	0	40	-2.0	-129.29	344.25	5.56	-123.73
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1	REAL300000555700	0	41	-2.0	-118.10	356.82	6.69	-111.41
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555701	1	46	-2.0	-118.96	397.22	8.25	-110.71
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=N1	REAL300000555702	0	40	-2.0	-113.12	346.64	5.26	-107.86
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555703	1	44	-2.0	-118.22	373.88	6.36	-111.86
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555704	0	43	-2.0	-123.42	370.44	8.10	-115.32
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1	REAL300000555705	0	37	-2.0	-117.05	352.65	6.78	-110.27
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1	REAL300000555706	1	42	-2.0	-115.61	356.53	5.97	-109.64
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1	REAL300000555707	0	37	-2.0	-111.74	338.34	7.26	-104.48
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=O)NC(=O)C3=C2)=C1	REAL300000555710	1	41	-2.0	-108.96	364.86	3.55	-105.41
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555711	0	37	-2.0	-110.92	319.22	3.69	-107.23
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555712	1	41	-2.0	-118.19	348.31	5.94	-112.25
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555713	1	40	-2.0	-116.22	333.88	7.43	-108.79
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)S1	REAL300000555714	0	43	-2.0	-119.12	380.13	4.88	-114.24
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)S1	REAL300000555714	1	42	-3.0	-183.82	377.91	3.81	-180.01
CN1C=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=N1	REAL300000555715	0	37	-2.0	-122.20	325.40	4.22	-117.98
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555716	0	37	-2.0	-108.48	320.75	4.30	-104.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(F)=C1	REAL300000555722	0	40	-2.0	-121.91	345.72	7.38	-114.53
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC=C1F	REAL300000555723	1	40	-2.0	-109.67	345.54	7.33	-102.34
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC=N2)=C1	REAL300000555724	0	34	-2.0	-124.87	300.28	4.03	-120.84
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)O1	REAL300000555725	0	40	-2.0	-111.15	360.10	5.47	-105.68
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1	REAL300000555726	0	42	-2.0	-134.65	360.52	7.31	-127.34
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1	REAL300000555727	0	37	-2.0	-107.77	338.76	6.86	-100.91
CC1=C(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000555728	0	40	-2.0	-99.88	359.76	7.07	-92.81
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300000555728	1	39	-3.0	-180.79	358.71	7.13	-173.66
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1C	REAL300000555729	1	46	-2.0	-119.83	383.13	7.95	-111.88
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555730	0	41	-2.0	-117.68	361.41	6.50	-111.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CN=C1Cl	REAL300000555731	0	39	-2.0	-107.89	349.46	5.85	-102.04
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555732	0	43	-2.0	-126.66	379.64	4.22	-122.44
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555734	1	46	-2.0	-121.82	397.53	8.12	-113.70
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555736	0	49	-2.0	-116.84	399.75	7.29	-109.55
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)SC=C1	REAL300000555737	0	37	-2.0	-118.14	331.32	6.31	-111.83
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1C	REAL300000555738	0	46	-2.0	-116.24	379.07	6.58	-109.66
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C	REAL300000555739	1	46	-2.0	-112.01	391.37	7.88	-104.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000555740	0	42	-2.0	-105.26	364.77	7.86	-97.40
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=C1	REAL300000555743	1	45	-2.0	-130.92	378.40	5.10	-125.82
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555744	1	41	-2.0	-110.33	355.07	7.80	-102.53
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC=C1F	REAL300000555745	1	44	-2.0	-126.04	379.72	5.65	-120.39
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000555746	0	42	-2.0	-113.68	372.94	8.05	-105.63
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555747	1	49	-2.0	-114.06	371.21	9.25	-104.81
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC=C1C	REAL300000555748	1	47	-2.0	-135.61	395.18	6.48	-129.13
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555749	0	41	-2.0	-117.97	358.20	7.15	-110.82
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555750	1	41	-2.0	-107.97	356.80	7.84	-100.13
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555751	1	49	-2.0	-119.34	385.32	9.90	-109.44
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2F)=C1	REAL300000555753	0	38	-2.0	-112.39	345.11	7.10	-105.29
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)C=C2O1	REAL300000555754	1	42	-2.0	-114.63	364.21	4.34	-110.29
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=N1	REAL300000555755	0	43	-2.0	-113.32	365.32	5.77	-107.55
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2S(N)(=O)=O)=C1	REAL300000555756	0	42	-2.0	-121.26	357.91	2.98	-118.28
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1	REAL300000555757	1	42	-2.0	-116.83	359.80	7.04	-109.79
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=N1	REAL300000555758	0	43	-2.0	-119.42	379.91	5.45	-113.97
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CN1	REAL300000555759	0	43	-2.0	-126.01	362.77	5.08	-120.93
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2[N+](=O)[O-])=C1	REAL300000555760	0	40	-2.0	-116.53	362.43	8.48	-108.05
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1	REAL300000555764	1	37	-2.0	-101.05	339.56	6.88	-94.17
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555765	1	48	-2.0	-114.92	403.01	8.51	-106.41
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CN1C	REAL300000555767	0	44	-2.0	-118.36	381.73	6.78	-111.58
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555768	1	52	-2.0	-116.41	409.23	9.43	-106.98
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000555769	0	39	-3.0	-172.10	360.32	7.76	-164.34
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000555769	1	40	-2.0	-96.94	362.97	7.73	-89.21
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000555770	0	40	-2.0	-99.73	360.06	7.15	-92.58
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000555770	1	39	-3.0	-172.30	351.79	7.24	-165.06
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555771	1	47	-2.0	-125.92	386.45	6.88	-119.04
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC(C)=C1F	REAL300000555772	1	43	-2.0	-111.15	367.60	8.01	-103.14
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000555773	0	36	-3.0	-177.30	341.29	6.36	-170.94
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555774	0	46	-2.0	-125.60	385.11	7.93	-117.67
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000555775	0	40	-2.0	-100.88	362.14	7.18	-93.70
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000555775	1	39	-3.0	-177.27	353.68	7.26	-170.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1F	REAL300000555776	0	42	-3.0	-185.67	374.78	7.94	-177.73
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CN1	REAL300000555777	0	41	-2.0	-115.56	363.96	5.03	-110.53
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000555778	0	39	-3.0	-175.27	352.74	7.28	-167.99
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000555778	1	40	-2.0	-98.00	355.47	7.25	-90.75
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000555779	0	40	-2.0	-97.05	368.03	7.52	-89.53
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000555779	1	39	-3.0	-171.12	359.77	7.61	-163.51
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555780	1	40	-2.0	-113.76	340.94	7.49	-106.27
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC=C1C	REAL300000555781	1	46	-2.0	-113.80	391.40	7.86	-105.94
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CS1	REAL300000555782	0	40	-2.0	-114.63	367.83	6.37	-108.26
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC=C1F	REAL300000555783	1	43	-2.0	-109.15	379.89	7.36	-101.79
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)S1	REAL300000555784	0	39	-2.0	-113.18	344.83	5.28	-107.90
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC#N)C=C2)=C1	REAL300000555785	1	41	-2.0	-120.66	361.07	7.80	-112.86
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555786	1	45	-2.0	-104.58	378.91	9.02	-95.56
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC=C1[O-]	REAL300000555787	1	45	-2.0	-100.94	385.76	3.58	-97.36
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555790	1	43	-2.0	-117.90	361.70	8.07	-109.83
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555791	1	40	-2.0	-114.45	348.38	7.41	-107.04
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555793	0	43	-2.0	-112.24	378.45	6.15	-106.09
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=C1	REAL300000555794	1	43	-2.0	-111.91	370.21	5.70	-106.21
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000555795	0	40	-2.0	-108.84	364.80	7.17	-101.67
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000555795	1	39	-3.0	-174.26	358.10	7.29	-166.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C(F)C=C1F	REAL300000555797	0	40	-2.0	-114.08	352.77	7.44	-106.64
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1	REAL300000555798	1	43	-2.0	-125.97	359.85	8.96	-117.01
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1	REAL300000555799	0	39	-2.0	-113.68	350.81	6.13	-107.55
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000555800	0	40	-3.0	-182.85	358.72	4.95	-177.90
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000555800	1	40	-3.0	-176.42	357.83	5.83	-170.59
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1	REAL300000555801	1	47	-2.0	-121.30	375.88	9.31	-111.99
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000555802	0	43	-2.0	-98.72	375.91	7.85	-90.87
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000555802	1	42	-3.0	-176.66	369.46	7.97	-168.69
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)O1	REAL300000555803	0	43	-2.0	-111.47	381.97	6.40	-105.07
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1	REAL300000555804	0	39	-2.0	-104.21	353.44	7.38	-96.83
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555805	0	42	-2.0	-123.94	372.36	7.61	-116.33
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)=C1	REAL300000555806	0	40	-2.0	-129.51	363.33	7.39	-122.12
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)SC=C1	REAL300000555808	0	38	-2.0	-124.51	342.72	4.96	-119.55
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300000555809	0	43	-2.0	-116.70	373.80	7.84	-108.86
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300000555810	0	40	-2.0	-119.55	348.57	7.04	-112.51
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000555811	0	45	-2.0	-136.17	380.32	7.88	-128.29
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1F	REAL300000555812	0	42	-2.0	-113.84	374.58	8.06	-105.78
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555813	0	39	-2.0	-122.11	352.05	5.39	-116.72
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555815	0	37	-2.0	-106.53	335.53	5.63	-100.90
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)N=C1Cl	REAL300000555816	0	37	-2.0	-123.38	340.90	5.50	-117.88
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555817	1	45	-2.0	-120.37	379.54	5.28	-115.09
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1	REAL300000555818	0	38	-2.0	-123.32	334.66	5.38	-117.94
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1C	REAL300000555819	0	45	-2.0	-127.83	373.36	9.43	-118.40
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2N)=C1	REAL300000555820	0	38	-2.0	-106.14	342.78	4.51	-101.63
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)S1	REAL300000555821	0	36	-2.0	-111.90	327.34	4.47	-107.43
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555822	1	42	-2.0	-103.55	368.36	8.16	-95.39
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555823	0	43	-2.0	-108.33	360.83	7.88	-100.45
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555823	1	42	-3.0	-191.09	357.34	7.85	-183.24
CC1=CC(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000555825	0	43	-2.0	-103.34	378.57	7.73	-95.61
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC(C(=O)[O-])=C1F	REAL300000555825	1	42	-3.0	-184.71	372.12	7.86	-176.85
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555826	0	43	-2.0	-96.54	363.92	7.59	-88.95
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555827	0	43	-2.0	-127.52	379.47	7.77	-119.75
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)=C1	REAL300000555828	0	38	-2.0	-112.61	348.11	7.31	-105.30
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1F	REAL300000555829	0	40	-2.0	-116.23	352.77	7.45	-108.78
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300000555830	0	43	-2.0	-105.25	376.09	7.42	-97.83
CC1=CC(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC(C(=O)[O-])=C1C	REAL300000555831	0	46	-2.0	-111.65	386.58	8.15	-103.50
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1	REAL300000555832	0	40	-2.0	-113.89	365.89	8.18	-105.71
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1CC	REAL300000555833	1	49	-2.0	-118.64	395.88	9.21	-109.43
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000555835	0	39	-3.0	-176.37	359.39	7.36	-169.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1F	REAL300000555836	1	42	-2.0	-107.57	373.60	8.00	-99.57
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1	REAL300000555837	0	36	-2.0	-113.78	339.54	6.13	-107.65
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555838	0	43	-2.0	-126.86	366.17	7.05	-119.81
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=N1	REAL300000555839	0	42	-2.0	-107.40	369.55	5.47	-101.93
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1	REAL300000555840	0	36	-2.0	-104.42	344.24	5.82	-98.60
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C)=C1C(=O)[O-]	REAL300000555841	0	46	-2.0	-113.51	384.59	8.66	-104.85
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000555842	0	42	-3.0	-186.58	374.34	7.93	-178.65
CC1=CC(F)=C(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000555842	1	43	-2.0	-96.59	373.03	7.82	-88.77
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555843	0	42	-3.0	-202.08	372.31	7.89	-194.19
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555844	1	45	-2.0	-125.57	381.90	7.90	-117.67
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=N1	REAL300000555845	0	44	-2.0	-110.63	378.56	4.26	-106.37
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300000555846	0	42	-2.0	-125.08	370.87	7.51	-117.57
CCC1=CC=C(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000555847	0	46	-2.0	-111.58	389.85	8.29	-103.29
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000555847	1	45	-3.0	-195.18	381.56	8.39	-186.79
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1	REAL300000555848	0	48	-2.0	-114.22	395.97	5.18	-109.04
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1C#N	REAL300000555851	0	41	-2.0	-128.27	357.81	7.47	-120.80
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555852	0	43	-2.0	-93.33	369.59	7.12	-86.21
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)S1	REAL300000555853	0	46	-2.0	-116.60	391.81	8.29	-108.31
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555854	0	43	-2.0	-124.95	367.88	7.43	-117.52
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300000555855	0	45	-2.0	-111.13	376.85	4.40	-106.73
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1F	REAL300000555857	0	40	-2.0	-123.47	344.63	7.35	-116.12
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=N1	REAL300000555858	0	43	-2.0	-109.50	367.86	4.26	-105.24
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1	REAL300000555859	0	44	-2.0	-127.80	364.59	6.68	-121.12
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555860	1	44	-2.0	-116.72	375.65	6.41	-110.31
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555861	0	42	-2.0	-117.30	358.08	3.62	-113.68
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1Cl	REAL300000555862	0	40	-2.0	-119.43	352.42	7.81	-111.62
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C(C)O1	REAL300000555864	0	40	-2.0	-113.50	343.54	6.26	-107.24
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)=C1	REAL300000555865	0	43	-2.0	-123.61	365.07	4.29	-119.32
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555867	1	44	-2.0	-115.96	367.16	6.70	-109.26
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C(C(=O)OC)O1	REAL300000555868	0	46	-2.0	-107.30	395.80	7.05	-100.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)O1	REAL300000555870	0	37	-2.0	-116.87	325.16	5.50	-111.37
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555871	0	40	-2.0	-117.07	351.77	7.03	-110.04
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1	REAL300000555872	1	40	-2.0	-113.09	346.61	5.33	-107.76
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300000555873	0	45	-2.0	-133.12	374.36	8.49	-124.63
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1	REAL300000555874	0	43	-2.0	-123.88	369.85	8.67	-115.21
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555875	0	43	-2.0	-120.50	370.44	8.09	-112.41
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1	REAL300000555876	0	39	-2.0	-101.39	351.56	7.33	-94.06
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1	REAL300000555877	1	37	-2.0	-107.58	343.71	7.26	-100.32
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C(C)O1	REAL300000555878	0	43	-2.0	-107.88	376.67	6.21	-101.67
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1	REAL300000555879	0	36	-2.0	-107.54	332.33	5.38	-102.16
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)N=C1C	REAL300000555880	0	43	-2.0	-129.17	366.33	6.46	-122.71
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555881	0	40	-2.0	-118.12	353.35	7.87	-110.25
CCN1C=C(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000555882	0	44	-2.0	-109.49	383.66	7.33	-102.16
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000555882	1	43	-3.0	-186.54	375.29	7.43	-179.11
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555883	0	40	-2.0	-113.88	358.69	5.39	-108.49
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555884	0	49	-2.0	-115.71	394.95	7.20	-108.51
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CN1C	REAL300000555885	0	47	-2.0	-117.36	401.84	7.67	-109.69
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555886	1	45	-2.0	-112.63	382.44	8.76	-103.87
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1	REAL300000555887	0	37	-2.0	-121.06	336.63	7.47	-113.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(Cl)=N1	REAL300000555888	0	39	-2.0	-116.04	348.70	5.96	-110.08
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555889	0	42	-2.0	-114.75	369.60	6.88	-107.87
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1Cl	REAL300000555890	1	41	-2.0	-113.75	375.77	8.15	-105.60
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)S1	REAL300000555891	0	39	-2.0	-111.66	349.18	5.25	-106.41
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)C=C12	REAL300000555892	0	44	-2.0	-106.05	380.05	4.34	-101.71
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)S1	REAL300000555893	0	39	-2.0	-109.84	359.85	7.07	-102.77
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CN=C1Cl	REAL300000555895	0	40	-2.0	-105.48	361.41	4.66	-100.82
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300000555896	0	39	-2.0	-105.94	355.28	5.91	-100.03
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555897	1	43	-2.0	-112.83	381.74	7.40	-105.43
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555898	0	52	-2.0	-115.96	411.62	7.66	-108.30
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C)=C1F	REAL300000555899	1	44	-2.0	-113.39	370.23	6.81	-106.58
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C=C2Cl)=C1	REAL300000555900	0	38	-2.0	-108.62	352.70	7.60	-101.02
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1	REAL300000555901	0	40	-2.0	-126.34	346.74	6.96	-119.38
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555902	0	42	-2.0	-113.31	370.53	5.53	-107.78
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1	REAL300000555903	0	34	-2.0	-110.47	323.19	5.35	-105.12
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000555904	1	45	-2.0	-111.81	379.87	8.65	-103.16
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555905	0	47	-2.0	-124.00	382.35	8.39	-115.61
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1	REAL300000555906	0	37	-2.0	-113.33	341.64	7.09	-106.24
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555910	0	37	-2.0	-109.63	347.78	6.88	-102.75
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1	REAL300000555911	1	40	-2.0	-116.22	351.00	7.51	-108.71
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1	REAL300000555912	0	40	-2.0	-110.62	356.74	5.54	-105.08
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555913	1	41	-2.0	-122.64	354.89	7.71	-114.93
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300000555914	0	45	-2.0	-110.78	388.25	7.93	-102.85
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555915	1	46	-2.0	-119.17	374.56	8.67	-110.50
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C)=CS1	REAL300000555916	0	43	-2.0	-125.98	375.78	7.85	-118.13
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC=C1F	REAL300000555917	1	41	-2.0	-109.44	356.29	6.05	-103.39
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1	REAL300000555918	0	36	-2.0	-125.44	333.25	7.09	-118.35
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CO2)=C1	REAL300000555919	0	34	-2.0	-115.54	303.25	4.66	-110.88
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555920	0	36	-2.0	-104.46	314.97	3.09	-101.37
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)=CN=C21	REAL300000555921	1	42	-2.0	-110.75	364.92	5.80	-104.95
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300000555922	0	36	-2.0	-105.12	339.98	6.40	-98.72
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555924	1	45	-2.0	-116.42	386.00	4.86	-111.56
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300000555925	0	41	-2.0	-117.82	346.79	6.08	-111.74
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2Cl)=C1	REAL300000555926	0	38	-2.0	-111.64	354.46	7.64	-104.00
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1	REAL300000555927	0	40	-2.0	-113.29	364.52	5.76	-107.53
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555928	1	43	-2.0	-113.68	349.06	8.36	-105.32
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555929	0	45	-2.0	-130.54	372.79	7.15	-123.39
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555931	0	40	-2.0	-118.90	338.21	7.57	-111.33
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C32)=C1	REAL300000555932	0	41	-2.0	-131.95	357.20	6.72	-125.23
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555933	0	50	-2.0	-114.73	411.65	8.18	-106.55
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)C=CC=C12	REAL300000555934	0	45	-2.0	-134.06	376.69	7.81	-126.25
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)=C1	REAL300000555936	1	41	-2.0	-119.23	371.80	3.96	-115.27
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1	REAL300000555937	0	38	-2.0	-124.85	345.33	4.99	-119.86
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555938	0	40	-2.0	-113.53	345.15	4.16	-109.37
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1)OCO2	REAL300000555940	1	43	-2.0	-111.55	359.90	6.10	-105.45
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555942	0	43	-2.0	-118.13	368.98	7.84	-110.29
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000555943	1	47	-2.0	-115.32	390.42	6.48	-108.84
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555944	0	46	-2.0	-132.01	387.66	9.00	-123.01
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)S1	REAL300000555946	0	40	-2.0	-118.77	363.75	4.13	-114.64
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)S1	REAL300000555946	1	39	-3.0	-182.91	362.24	3.04	-179.87
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1F	REAL300000555947	1	44	-2.0	-116.09	381.46	5.70	-110.39
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)=C1	REAL300000555948	0	42	-2.0	-120.33	377.33	2.28	-118.05
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2CC#N)=C1	REAL300000555949	1	41	-2.0	-123.33	353.42	7.94	-115.39
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(CC#N)=C2)=C1	REAL300000555950	1	41	-2.0	-120.51	361.09	7.80	-112.71
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1	REAL300000555951	0	37	-2.0	-110.05	348.67	7.71	-102.34
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(N)=NO1	REAL300000555953	0	38	-2.0	-105.23	325.24	4.03	-101.20
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555954	0	41	-2.0	-119.14	365.55	6.99	-112.15
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1	REAL300000555955	0	38	-2.0	-110.08	346.31	5.43	-104.65
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555958	1	44	-2.0	-117.76	365.52	6.75	-111.01
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)S2)=C1	REAL300000555961	0	35	-2.0	-106.46	331.30	6.20	-100.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=N1	REAL300000555962	0	39	-2.0	-113.94	335.41	5.46	-108.48
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1	REAL300000555963	0	42	-2.0	-117.73	361.75	7.04	-110.69
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(F)=C1	REAL300000555964	0	43	-2.0	-114.63	380.81	7.42	-107.21
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1F	REAL300000555965	0	43	-2.0	-110.64	378.13	7.33	-103.31
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC=C1C#N	REAL300000555966	1	41	-2.0	-108.69	360.54	7.58	-101.11
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1	REAL300000555967	0	36	-2.0	-101.83	338.30	5.37	-96.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(F)=C1	REAL300000555969	0	41	-2.0	-118.65	355.54	6.04	-112.61
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1[N+](=O)[O-]	REAL300000555970	0	45	-2.0	-130.57	379.59	9.82	-120.75
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1	REAL300000555972	1	40	-2.0	-114.38	354.75	7.61	-106.77
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300000555973	1	47	-2.0	-122.96	394.77	10.10	-112.86
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)N(C)N=C1	REAL300000555975	0	40	-2.0	-108.89	335.68	5.11	-103.78
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)O2)=C1	REAL300000555977	0	35	-2.0	-108.10	322.75	5.18	-102.92
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2)=C1	REAL300000555978	0	34	-2.0	-112.92	311.66	5.59	-107.33
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=COC=C2)=C1	REAL300000555979	0	34	-2.0	-112.50	301.35	4.52	-107.98
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555980	0	48	-2.0	-124.63	402.14	6.15	-118.48
CC1=CC(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300000555981	0	43	-2.0	-98.79	369.90	7.60	-91.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=N1	REAL300000555982	0	40	-2.0	-109.53	345.99	3.33	-106.20
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1	REAL300000555983	0	37	-2.0	-116.51	342.79	7.26	-109.25
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000555985	1	48	-2.0	-114.37	398.69	7.81	-106.56
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555986	0	46	-2.0	-118.76	398.08	9.45	-109.31
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555987	0	46	-2.0	-118.54	393.91	9.16	-109.38
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C1	REAL300000555988	0	40	-2.0	-118.67	355.37	8.00	-110.67
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)N(C)N=C1	REAL300000555989	0	46	-2.0	-117.41	389.91	6.64	-110.77
CC(C)(C(=O)[O-])C1=CC([N-]S(=O)(=O)C2=C3OC(C)(C)CC3=CC=C2)=CC=C1	REAL300000555990	0	48	-2.0	-130.17	396.53	7.87	-122.30
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1	REAL300000555991	0	40	-2.0	-119.92	345.78	5.31	-114.61
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555992	1	44	-2.0	-118.95	371.91	6.91	-112.04
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1	REAL300000555993	0	37	-2.0	-117.47	341.15	7.49	-109.98
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)C=C2C=C1	REAL300000555995	1	46	-2.0	-119.65	386.11	9.56	-110.09
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1	REAL300000555996	0	34	-2.0	-114.48	328.54	6.14	-108.34
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000555997	0	37	-2.0	-115.46	334.12	6.34	-109.12
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1	REAL300000555998	0	34	-2.0	-111.88	317.12	3.44	-108.44
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1	REAL300000555999	0	36	-2.0	-112.52	327.48	4.79	-107.73
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556000	0	46	-2.0	-110.40	383.27	5.70	-104.70
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=N1	REAL300000556001	0	46	-2.0	-110.23	388.00	5.19	-105.04
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1	REAL300000556003	0	40	-2.0	-113.00	354.99	7.11	-105.89
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556004	0	42	-2.0	-126.74	365.82	5.62	-121.12
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556005	0	36	-2.0	-108.48	329.05	4.98	-103.50
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1	REAL300000556008	1	44	-2.0	-116.42	368.03	8.75	-107.67
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300000556009	0	34	-2.0	-115.98	317.09	5.69	-110.29
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300000556010	0	40	-2.0	-116.61	358.80	5.48	-111.13
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300000556011	1	46	-2.0	-116.86	385.41	8.28	-108.58
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C(F)=C2)=C1	REAL300000556012	1	38	-2.0	-104.33	345.52	7.08	-97.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C(F)C=C1[N+](=O)[O-]	REAL300000556015	0	42	-2.0	-109.47	370.26	7.92	-101.55
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556016	0	43	-2.0	-101.86	370.83	8.05	-93.81
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1	REAL300000556017	0	38	-2.0	-116.60	353.45	5.97	-110.63
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1	REAL300000556020	0	37	-2.0	-107.82	353.13	6.89	-100.93
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=NC=CN2)=C1	REAL300000556021	0	34	-2.0	-118.13	302.18	3.26	-114.87
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1	REAL300000556022	0	42	-2.0	-121.39	357.55	3.59	-117.80
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)S1	REAL300000556023	0	40	-2.0	-116.95	348.42	7.26	-109.69
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CN=C1C	REAL300000556024	0	45	-2.0	-108.39	386.80	6.02	-102.37
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1	REAL300000556025	0	38	-2.0	-105.95	343.96	5.54	-100.41
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556026	0	39	-2.0	-106.21	346.36	6.02	-100.19
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556027	1	46	-2.0	-122.25	395.76	8.08	-114.17
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1	REAL300000556028	1	39	-2.0	-106.47	360.32	6.55	-99.92
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=NN1C	REAL300000556032	0	40	-2.0	-112.60	341.20	4.91	-107.69
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000556033	1	41	-2.0	-116.98	349.90	7.74	-109.24
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556034	0	40	-2.0	-114.68	343.94	5.05	-109.63
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556035	1	44	-2.0	-114.34	392.36	6.91	-107.43
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C#N)=C2)=C1	REAL300000556036	0	37	-2.0	-106.62	336.46	5.28	-101.34
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=C1	REAL300000556038	1	42	-2.0	-112.54	365.24	3.84	-108.70
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1	REAL300000556040	0	37	-2.0	-114.15	336.24	4.20	-109.95
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1	REAL300000556041	0	43	-2.0	-111.28	366.87	6.60	-104.68
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300000556043	1	44	-2.0	-122.71	374.81	6.39	-116.32
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)=C1	REAL300000556044	0	40	-2.0	-111.72	357.80	4.26	-107.46
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC=C1Cl	REAL300000556045	1	41	-2.0	-109.61	364.35	6.50	-103.11
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(N)=O)S2)=C1	REAL300000556046	0	41	-2.0	-125.03	372.15	3.32	-121.71
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000556047	0	39	-3.0	-201.61	352.68	7.28	-194.33
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1	REAL300000556048	0	34	-2.0	-121.57	319.26	4.58	-116.99
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1	REAL300000556049	0	39	-2.0	-128.63	351.76	6.10	-122.53
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1	REAL300000556050	1	42	-2.0	-119.39	356.38	6.52	-112.87
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1	REAL300000556052	0	43	-2.0	-126.43	369.33	8.95	-117.48
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300000556053	0	40	-2.0	-122.51	360.71	5.74	-116.77
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556054	0	40	-2.0	-116.56	347.12	8.19	-108.37
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1	REAL300000556055	0	42	-2.0	-127.46	355.12	6.45	-121.01
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(F)=C1	REAL300000556061	0	40	-2.0	-123.42	348.72	7.57	-115.85
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1	REAL300000556062	0	36	-2.0	-108.60	345.60	5.87	-102.73
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)=CC=C21	REAL300000556063	1	42	-2.0	-114.61	364.41	5.14	-109.47
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000556065	0	43	-2.0	-101.90	376.83	7.93	-93.97
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C(=O)[O-]	REAL300000556065	1	42	-3.0	-183.31	370.20	7.81	-175.50
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556067	0	41	-2.0	-118.45	353.47	6.49	-111.96
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=C1	REAL300000556068	1	40	-2.0	-106.90	360.15	5.78	-101.12
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300000556069	1	45	-2.0	-115.84	381.26	8.47	-107.37
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1Cl	REAL300000556071	0	40	-2.0	-106.16	362.05	3.87	-102.29
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556072	0	36	-2.0	-106.33	317.57	4.54	-101.79
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CC=C1Cl	REAL300000556073	1	40	-2.0	-110.72	354.29	7.73	-102.99
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1	REAL300000556074	1	43	-2.0	-124.93	368.65	7.67	-117.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C([N+](=O)[O-])S1	REAL300000556075	0	39	-2.0	-125.59	355.14	7.88	-117.71
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)SC3=C2)=C1	REAL300000556077	1	40	-2.0	-109.90	362.56	4.89	-105.01
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300000556078	0	36	-2.0	-120.14	319.31	4.82	-115.32
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1	REAL300000556081	0	36	-2.0	-105.97	320.22	4.80	-101.17
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(C#N)SC=C2)=C1	REAL300000556083	0	35	-2.0	-121.88	330.97	6.08	-115.80
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1	REAL300000556086	1	37	-2.0	-107.83	343.16	7.24	-100.59
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1	REAL300000556087	0	46	-2.0	-125.21	380.50	6.99	-118.22
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1	REAL300000556088	0	45	-2.0	-126.93	372.75	7.88	-119.05
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556089	0	47	-2.0	-118.09	396.49	5.60	-112.49
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556095	1	44	-2.0	-128.19	374.74	4.08	-124.11
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)N(C)N=C1	REAL300000556098	0	43	-2.0	-117.53	369.79	5.75	-111.78
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)N1C	REAL300000556101	0	40	-2.0	-112.58	337.12	5.67	-106.91
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556102	1	50	-2.0	-116.41	408.85	8.31	-108.10
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1F	REAL300000556105	0	42	-2.0	-119.80	364.05	8.74	-111.06
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CN1CC1CC1	REAL300000556106	0	50	-2.0	-125.71	419.26	8.65	-117.06
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)O1	REAL300000556107	0	43	-2.0	-111.49	376.25	6.02	-105.47
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300000556108	0	40	-2.0	-112.67	358.55	6.13	-106.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C)=C1[N+](=O)[O-]	REAL300000556109	1	45	-2.0	-113.55	384.18	9.01	-104.54
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556110	0	40	-2.0	-102.86	361.16	5.35	-97.51
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1	REAL300000556111	0	36	-2.0	-112.73	336.19	5.23	-107.50
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300000556112	1	47	-2.0	-129.79	386.66	10.07	-119.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(F)=C1F	REAL300000556114	0	40	-2.0	-121.51	352.68	7.45	-114.06
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)OC=C1	REAL300000556115	0	40	-2.0	-124.87	356.82	5.71	-119.16
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=N1	REAL300000556117	0	39	-2.0	-129.25	348.92	5.59	-123.66
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C)=N1	REAL300000556118	0	49	-2.0	-113.95	406.74	7.41	-106.54
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000556119	0	38	-3.0	-186.23	345.24	5.38	-180.85
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556120	0	41	-2.0	-114.86	353.29	6.81	-108.05
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1F	REAL300000556121	1	49	-2.0	-114.68	398.79	8.93	-105.75
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C#N)=C2)=C1	REAL300000556122	1	38	-2.0	-105.98	346.08	7.09	-98.89
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1C(F)(F)F	REAL300000556123	0	40	-2.0	-110.27	351.95	5.27	-105.00
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1	REAL300000556124	0	39	-2.0	-128.71	343.73	5.87	-122.84
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1	REAL300000556124	1	39	-2.0	-116.13	343.83	5.72	-110.41
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1	REAL300000556125	0	41	-2.0	-125.33	352.55	6.60	-118.73
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556126	0	47	-2.0	-113.38	379.79	6.76	-106.62
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300000556127	0	49	-2.0	-112.96	388.82	7.30	-105.66
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1	REAL300000556129	0	47	-2.0	-112.83	386.23	7.00	-105.83
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556130	0	40	-2.0	-107.57	353.13	5.53	-102.04
CC(C)(C(=O)[O-])C1=CC=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300000556132	0	38	-2.0	-101.88	334.09	5.25	-96.63
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1	REAL300000556132	1	38	-2.0	-111.39	335.00	4.40	-106.99
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000556133	1	47	-2.0	-115.95	396.03	9.41	-106.54
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556134	0	40	-2.0	-131.07	352.84	4.26	-126.81
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556135	0	43	-2.0	-113.89	363.38	5.85	-108.04
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1F	REAL300000556136	1	42	-2.0	-116.89	366.34	7.18	-109.71
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(N)N=C2)=C1	REAL300000556137	0	37	-2.0	-108.07	324.02	4.00	-104.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C#N)=C1	REAL300000556138	0	41	-2.0	-125.13	358.31	7.58	-117.55
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556139	0	41	-2.0	-119.90	350.39	7.87	-112.03
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300000556140	1	40	-2.0	-110.33	355.49	7.54	-102.79
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC#N)C=C2)=C1	REAL300000556142	1	44	-2.0	-120.05	384.33	8.63	-111.42
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556144	0	37	-2.0	-105.22	338.42	2.47	-102.75
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300000556146	0	33	-2.0	-109.23	307.29	4.39	-104.84
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556149	0	43	-3.0	-178.67	375.47	7.01	-171.66
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556149	1	44	-2.0	-99.87	378.18	6.95	-92.92
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C(C(N)=O)O1	REAL300000556150	0	41	-2.0	-111.29	358.35	2.26	-109.03
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556151	1	46	-2.0	-114.44	372.28	9.17	-105.27
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1	REAL300000556152	0	37	-2.0	-111.17	339.04	6.56	-104.61
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000556154	0	36	-3.0	-172.53	349.17	6.22	-166.31
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1	REAL300000556155	1	42	-2.0	-127.37	355.05	7.14	-120.23
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556156	0	44	-2.0	-122.82	383.29	6.79	-116.03
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2F)=C1	REAL300000556157	0	38	-2.0	-120.95	346.42	7.10	-113.85
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)N=N1	REAL300000556158	0	36	-2.0	-121.30	319.51	3.01	-118.29
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1	REAL300000556159	0	44	-2.0	-114.19	368.71	6.32	-107.87
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1	REAL300000556160	0	44	-2.0	-112.50	367.44	6.55	-105.95
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1	REAL300000556161	0	47	-2.0	-111.30	388.36	7.16	-104.14
CC(C)(C(=O)[O-])C1=CC([N-]S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=CC=C1	REAL300000556162	0	48	-2.0	-121.59	395.61	4.69	-116.90
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=C1	REAL300000556163	1	43	-2.0	-113.46	371.29	3.91	-109.55
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1	REAL300000556164	0	34	-2.0	-114.06	322.91	5.23	-108.83
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1F	REAL300000556165	1	41	-2.0	-106.02	366.43	6.23	-99.79
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1	REAL300000556166	0	44	-2.0	-115.63	361.74	6.71	-108.92
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1F	REAL300000556167	0	41	-2.0	-113.25	360.01	6.08	-107.17
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556168	0	47	-2.0	-121.28	393.25	8.03	-113.25
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556169	0	40	-2.0	-112.46	343.60	7.40	-105.06
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)=C2O1	REAL300000556170	0	45	-2.0	-128.71	376.05	7.23	-121.48
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)S1	REAL300000556171	0	45	-2.0	-112.96	387.48	6.30	-106.66
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)=C1	REAL300000556172	1	45	-2.0	-116.55	387.05	8.86	-107.69
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556173	0	41	-2.0	-117.13	358.77	7.26	-109.87
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1	REAL300000556174	0	34	-2.0	-114.23	326.01	6.11	-108.12
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1	REAL300000556175	0	39	-2.0	-106.57	354.72	5.87	-100.70
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556176	0	42	-2.0	-130.69	359.50	6.26	-124.43
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556177	0	39	-2.0	-104.52	334.48	4.01	-100.51
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1	REAL300000556179	1	38	-2.0	-105.65	335.45	5.47	-100.18
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1	REAL300000556180	0	40	-2.0	-118.99	357.67	8.08	-110.91
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1	REAL300000556181	0	40	-2.0	-131.32	365.47	6.38	-124.94
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556182	0	44	-2.0	-110.46	371.49	6.44	-104.02
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C)=C1F	REAL300000556183	1	46	-2.0	-113.37	376.30	9.04	-104.33
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1OC	REAL300000556184	0	45	-2.0	-120.08	376.28	6.60	-113.48
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1	REAL300000556185	0	40	-2.0	-120.12	350.33	6.96	-113.16
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1OC	REAL300000556186	0	45	-2.0	-123.55	383.51	6.94	-116.61
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000556187	0	50	-2.0	-117.29	407.96	7.58	-109.71
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000556188	0	44	-2.0	-117.39	375.85	6.59	-110.80
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1	REAL300000556190	0	40	-2.0	-124.18	348.24	5.84	-118.34
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)C=CC=C21	REAL300000556191	0	42	-2.0	-136.83	363.36	5.04	-131.79
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)=C21	REAL300000556192	0	44	-2.0	-117.51	359.48	8.61	-108.90
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=CN=C1N	REAL300000556193	1	41	-2.0	-115.80	348.58	4.40	-111.40
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556194	0	37	-2.0	-114.40	337.88	2.55	-111.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)N=CN1	REAL300000556195	0	37	-2.0	-127.27	319.48	4.76	-122.51
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1	REAL300000556197	1	40	-2.0	-113.70	352.53	7.03	-106.67
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300000556198	0	47	-2.0	-118.40	392.11	7.08	-111.32
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1	REAL300000556199	0	34	-2.0	-113.38	326.40	6.22	-107.16
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1	REAL300000556200	0	47	-2.0	-113.42	392.81	7.29	-106.13
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1	REAL300000556201	0	41	-2.0	-119.65	356.47	7.94	-111.71
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556202	1	46	-2.0	-118.56	384.94	8.88	-109.68
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556203	0	43	-2.0	-108.60	375.84	5.10	-103.50
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2C#N)=C1	REAL300000556204	0	38	-2.0	-120.18	345.10	7.03	-113.15
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556205	0	44	-2.0	-114.10	365.23	6.26	-107.84
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(C)(C)C(=O)[O-])=CC=C1	REAL300000556208	0	46	-2.0	-112.68	370.18	6.41	-106.27
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(C)(C)C(=O)[O-])=CC=C2)C=N1	REAL300000556209	0	46	-2.0	-113.80	383.31	6.37	-107.43
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1	REAL300000556210	0	44	-2.0	-115.20	369.07	5.78	-109.42
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=N1	REAL300000556211	0	48	-2.0	-114.06	393.09	7.45	-106.61
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1	REAL300000556212	1	40	-2.0	-115.41	346.82	7.45	-107.96
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1	REAL300000556213	0	37	-2.0	-115.69	342.09	7.06	-108.63
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1	REAL300000556214	0	37	-2.0	-107.05	352.30	6.79	-100.26
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556215	0	40	-2.0	-109.47	341.72	4.95	-104.52
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1C	REAL300000556217	1	43	-2.0	-117.52	353.05	7.98	-109.54
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1	REAL300000556218	0	40	-2.0	-115.45	346.60	7.66	-107.79
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556219	1	48	-2.0	-125.57	405.13	8.72	-116.85
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000556221	1	46	-2.0	-117.19	399.00	8.33	-108.86
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C#N)=C2Cl)=C1	REAL300000556222	0	38	-2.0	-116.12	351.44	7.50	-108.62
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1	REAL300000556223	0	37	-2.0	-116.33	338.82	6.87	-109.46
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1	REAL300000556224	1	44	-2.0	-117.94	368.02	8.75	-109.19
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=CS1	REAL300000556225	0	38	-2.0	-119.60	341.07	5.08	-114.52
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556226	0	43	-2.0	-111.35	385.54	7.00	-104.35
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1	REAL300000556227	0	44	-2.0	-121.50	375.28	8.84	-112.66
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1	REAL300000556228	0	47	-2.0	-112.23	385.38	7.28	-104.95
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556229	0	46	-2.0	-110.59	378.76	6.54	-104.05
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300000556230	1	46	-2.0	-121.12	390.04	4.15	-116.97
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)C2=N1	REAL300000556232	0	42	-2.0	-127.72	364.16	5.04	-122.68
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)O1	REAL300000556233	0	40	-2.0	-116.31	344.89	6.23	-110.08
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1	REAL300000556234	0	37	-2.0	-109.68	344.42	5.89	-103.79
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556235	0	41	-2.0	-110.46	359.76	6.54	-103.92
CC(C)(C(=O)[O-])C1=CC([N-]S(=O)(=O)C2=CC(C(C)(F)F)=CC=C2)=CC=C1	REAL300000556236	1	43	-2.0	-116.05	372.02	8.17	-107.88
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300000556237	1	41	-2.0	-115.43	358.07	6.22	-109.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)S1	REAL300000556238	0	38	-2.0	-113.33	344.34	5.13	-108.20
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000556239	0	48	-2.0	-135.29	392.00	9.02	-126.27
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300000556241	0	40	-2.0	-111.65	353.23	5.39	-106.26
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556242	1	47	-2.0	-118.97	397.47	7.36	-111.61
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556243	0	47	-2.0	-112.50	399.22	7.94	-104.56
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1	REAL300000556244	0	50	-2.0	-114.48	406.95	7.61	-106.87
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1	REAL300000556245	1	40	-2.0	-118.10	341.08	7.64	-110.46
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1	REAL300000556246	0	40	-2.0	-122.35	347.57	7.03	-115.32
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1	REAL300000556247	1	39	-2.0	-118.43	349.76	6.04	-112.39
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=N1	REAL300000556248	0	39	-2.0	-114.33	341.27	3.54	-110.79
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1Cl	REAL300000556249	0	40	-2.0	-111.13	362.25	5.60	-105.53
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1	REAL300000556250	0	34	-2.0	-110.70	320.31	5.29	-105.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C2=CC=CC=C12	REAL300000556251	1	46	-2.0	-127.25	379.32	9.54	-117.71
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1	REAL300000556253	0	37	-2.0	-112.49	348.12	7.29	-105.20
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300000556254	0	47	-2.0	-119.50	396.23	8.07	-111.43
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1	REAL300000556256	0	41	-2.0	-117.25	364.38	8.00	-109.25
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)=C1	REAL300000556257	0	40	-2.0	-106.71	366.02	7.49	-99.22
CC1=COC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556259	0	37	-2.0	-114.33	323.76	5.34	-108.99
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=NN1	REAL300000556260	0	43	-2.0	-114.27	380.92	4.47	-109.80
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1OC	REAL300000556261	0	42	-2.0	-115.52	370.82	5.20	-110.32
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1	REAL300000556262	0	36	-2.0	-101.31	338.19	5.32	-95.99
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556263	0	43	-2.0	-114.75	363.21	6.57	-108.18
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(C)(C)C(=O)[O-])=C3)=CC=C21	REAL300000556264	1	44	-2.0	-123.80	372.53	8.41	-115.39
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1	REAL300000556265	0	34	-2.0	-104.31	343.88	6.75	-97.56
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1Cl	REAL300000556266	0	37	-2.0	-109.57	339.06	4.72	-104.85
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)=C1	REAL300000556267	1	42	-2.0	-112.64	370.29	7.29	-105.35
CC(C)(C(=O)[O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C(C)(F)F)=CC=C1	REAL300000556268	0	43	-2.0	-129.04	358.38	8.52	-120.52
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(C#N)C=CO2)=C1	REAL300000556269	0	35	-2.0	-114.35	323.27	5.13	-109.22
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556270	0	39	-2.0	-104.77	346.55	6.04	-98.73
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556271	1	48	-2.0	-119.00	402.45	8.26	-110.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C2CC2)=N1	REAL300000556272	0	47	-2.0	-117.70	397.39	7.47	-110.23
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300000556273	0	41	-2.0	-123.07	358.80	6.02	-117.05
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556276	0	50	-2.0	-112.76	405.58	7.79	-104.97
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300000556277	0	34	-2.0	-111.85	317.59	5.15	-106.70
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1	REAL300000556278	0	34	-2.0	-110.19	329.37	6.20	-103.99
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556279	0	45	-2.0	-111.65	371.08	4.38	-107.27
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1	REAL300000556280	1	44	-2.0	-120.44	364.11	8.84	-111.60
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C)=N1	REAL300000556284	1	43	-2.0	-108.69	361.65	4.08	-104.61
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556285	0	43	-2.0	-120.75	366.22	4.45	-116.30
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556286	0	40	-2.0	-114.34	363.26	4.36	-109.98
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C	REAL300000556287	0	43	-2.0	-110.70	367.87	4.09	-106.61
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=N1	REAL300000556288	0	46	-2.0	-113.80	387.96	6.80	-107.00
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556289	0	46	-2.0	-115.22	384.16	6.41	-108.81
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1	REAL300000556290	0	36	-2.0	-111.44	347.90	4.67	-106.77
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(C#N)OC=C2)=C1	REAL300000556291	0	35	-2.0	-117.34	321.78	5.06	-112.28
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C(C#N)C=CS2)=C1	REAL300000556292	0	35	-2.0	-115.26	332.61	6.01	-109.25
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556293	0	43	-2.0	-110.01	360.54	5.91	-104.10
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1C	REAL300000556294	0	45	-2.0	-108.76	387.33	6.05	-102.71
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])=C1	REAL300000556295	0	40	-2.0	-123.36	359.86	8.44	-114.92
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1	REAL300000556296	0	44	-2.0	-111.20	373.26	6.79	-104.41
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300000556297	0	44	-2.0	-115.94	370.75	7.85	-108.09
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=NN1C(C)C	REAL300000556299	0	46	-2.0	-113.54	385.04	6.43	-107.11
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300000556300	1	44	-2.0	-121.44	378.68	8.84	-112.60
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1	REAL300000556301	0	39	-2.0	-109.88	347.93	5.71	-104.17
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300000556303	1	44	-2.0	-117.11	382.09	8.91	-108.20
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)=C1	REAL300000556304	0	41	-2.0	-119.83	371.01	7.14	-112.69
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300000556305	1	38	-2.0	-117.30	331.59	3.82	-113.48
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556306	1	46	-2.0	-114.94	380.08	8.22	-106.72
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1	REAL300000556307	0	40	-2.0	-126.10	360.23	7.68	-118.42
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300000556308	0	33	-2.0	-106.15	306.21	4.27	-101.88
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1	REAL300000556309	0	41	-2.0	-129.17	366.87	5.90	-123.27
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1	REAL300000556310	1	44	-2.0	-125.21	374.63	8.94	-116.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C(C(F)F)=C1	REAL300000556311	1	44	-2.0	-122.44	371.02	7.26	-115.18
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556312	0	42	-2.0	-122.24	359.96	6.26	-115.98
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300000556313	0	43	-2.0	-134.86	373.15	8.18	-126.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C2=NC=CC=C12	REAL300000556314	0	45	-2.0	-135.02	378.28	7.85	-127.17
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000556315	0	42	-3.0	-180.53	371.15	7.23	-173.30
CCC1=C(S(=O)(=O)NC2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C(C(=O)[O-])O1	REAL300000556315	1	43	-2.0	-103.42	372.48	6.65	-96.77
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556316	0	50	-2.0	-127.06	408.26	8.64	-118.42
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C(Cl)S1	REAL300000556317	0	37	-2.0	-108.97	345.83	7.08	-101.89
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300000556318	0	33	-2.0	-110.57	305.76	3.78	-106.79
CC(C)(C(=O)[O-])C1=CC=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1	REAL300000556319	0	44	-2.0	-115.52	364.90	5.99	-109.53
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(C)(C)C(=O)[O-])=C2)=C1	REAL300000556320	0	40	-2.0	-123.08	347.47	7.41	-115.67
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000556322	1	40	-2.0	-102.67	358.67	7.74	-94.93
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(F)(F)F	REAL300000556323	0	37	-2.0	-97.09	351.86	6.75	-90.34
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000556324	1	41	-2.0	-101.14	365.32	7.08	-94.06
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000556325	0	37	-2.0	-98.44	350.32	6.77	-91.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(C)C)C(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000556326	0	40	-2.0	-96.62	361.68	6.87	-89.75
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(F)(F)F	REAL300000556327	0	37	-2.0	-92.18	350.94	6.86	-85.32
CC(C)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(F)(F)F	REAL300000556328	0	39	-2.0	-100.34	354.89	5.86	-94.48
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C(Cl)C=C1C1CC1	REAL300000556338	1	35	-2.0	-102.70	341.22	7.20	-95.50
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(Cl)C=C(C3CC3)C(C)=C2)=C1	REAL300000556343	1	38	-2.0	-98.80	357.17	7.86	-90.94
CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C(Cl)C=C1C1CC1	REAL300000556353	1	35	-2.0	-97.58	340.29	7.31	-90.27
CC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C(Cl)C=C1C1CC1	REAL300000556357	0	39	-2.0	-107.42	352.68	6.24	-101.18
CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C(Cl)C=C1C1CC1	REAL300000556372	1	37	-2.0	-105.01	345.01	6.24	-98.77
CC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C(Cl)C=C1C1CC1	REAL300000556374	1	35	-2.0	-96.08	348.73	7.14	-88.94
CC(C)C1=CC=C2OCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C2=C1	REAL300000556409	0	43	-2.0	-111.20	364.30	6.30	-104.90
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000556429	1	47	-2.0	-91.33	402.25	6.27	-85.06
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1C	REAL300000556431	0	48	-2.0	-109.68	405.41	8.77	-100.91
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000556433	1	40	-2.0	-111.27	345.79	7.68	-103.59
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1C	REAL300000556434	0	44	-2.0	-117.40	373.93	7.48	-109.92
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000556435	1	44	-2.0	-97.48	377.24	8.98	-88.50
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000556437	0	40	-2.0	-106.90	358.86	8.24	-98.66
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000556438	1	40	-2.0	-106.92	358.31	8.07	-98.85
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000556439	1	46	-2.0	-114.41	378.90	9.01	-105.40
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000556440	0	40	-2.0	-109.00	351.27	7.73	-101.27
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000556441	1	46	-2.0	-96.93	389.36	9.27	-87.66
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000556442	0	37	-2.0	-105.33	338.98	6.70	-98.63
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000556443	1	43	-2.0	-112.47	361.22	8.46	-104.01
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000556445	1	41	-2.0	-109.49	352.44	7.03	-102.46
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C)=C1	REAL300000556447	0	40	-2.0	-101.34	354.90	7.36	-93.98
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000556449	0	37	-2.0	-106.72	337.44	6.71	-100.01
COC1=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C)=CC(C(=O)[O-])=C1OC	REAL300000556450	1	48	-2.0	-111.62	404.11	7.49	-104.13
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000556452	1	50	-2.0	-116.64	401.02	10.31	-106.33
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000556453	1	49	-2.0	-114.73	399.70	9.69	-105.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1C	REAL300000556454	1	46	-2.0	-110.51	375.32	9.38	-101.13
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1C	REAL300000556455	0	47	-2.0	-117.66	396.22	8.24	-109.42
CC1=CC=C(C(C)C)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000556456	0	43	-2.0	-110.01	372.03	8.16	-101.85
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000556456	1	42	-3.0	-187.96	374.20	8.25	-179.71
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000556457	1	47	-2.0	-117.07	390.04	9.58	-107.49
CC1=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000556458	0	40	-2.0	-104.98	348.80	6.82	-98.16
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000556459	1	46	-2.0	-116.14	387.97	7.45	-108.69
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C)=C1	REAL300000556460	0	44	-2.0	-111.80	374.71	6.77	-105.03
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000556462	0	40	-2.0	-103.21	363.38	8.28	-94.93
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000556465	1	43	-2.0	-102.61	366.50	8.50	-94.11
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000556466	1	44	-2.0	-95.41	383.10	8.03	-87.38
CC1=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C)C=C(C(=O)[O-])S1	REAL300000556468	1	40	-2.0	-108.51	355.49	7.57	-100.94
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000556469	0	40	-2.0	-95.40	358.84	8.24	-87.16
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000556470	1	40	-2.0	-97.41	350.32	7.72	-89.69
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000556471	0	37	-2.0	-100.03	338.05	6.80	-93.23
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000556472	1	40	-2.0	-101.87	352.21	7.75	-94.12
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000556473	0	43	-2.0	-110.54	371.54	8.38	-102.16
COC1=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000556474	0	44	-2.0	-100.03	386.10	8.30	-91.73
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000556475	0	40	-2.0	-97.62	351.25	7.75	-89.87
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000556476	1	40	-2.0	-95.56	358.29	8.08	-87.48
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000556477	1	43	-2.0	-104.43	375.24	8.87	-95.56
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000556478	1	48	-2.0	-94.17	409.53	9.09	-85.08
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000556479	1	40	-2.0	-99.62	356.61	7.77	-91.85
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000556480	1	42	-2.0	-95.70	373.99	8.35	-87.35
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000556481	0	41	-2.0	-111.51	355.51	5.39	-106.12
CC1=CC=C(C(C)C)C=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000556481	1	41	-2.0	-109.32	352.93	6.23	-103.09
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000556482	1	43	-2.0	-102.25	367.97	8.47	-93.78
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000556483	1	40	-2.0	-101.19	366.50	8.21	-92.98
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000556484	1	43	-2.0	-106.80	355.83	8.32	-98.48
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000556488	0	42	-2.0	-108.77	372.37	8.77	-100.00
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000556489	0	40	-2.0	-100.22	357.53	7.81	-92.41
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000556491	0	43	-2.0	-111.36	371.11	8.37	-102.99
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000556492	0	43	-2.0	-108.79	377.58	8.82	-99.97
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C)=C1	REAL300000556493	0	43	-2.0	-115.89	370.84	8.37	-107.52
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000556496	1	43	-2.0	-100.09	372.05	8.87	-91.22
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000556497	1	43	-2.0	-108.82	377.02	8.64	-100.18
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C)C=C1C(=O)[O-]	REAL300000556498	1	44	-2.0	-110.79	373.74	7.88	-102.91
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000556500	1	43	-2.0	-104.61	375.66	8.65	-95.96
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000556501	1	49	-2.0	-107.70	395.23	9.82	-97.88
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C)C=C1C(=O)[O-]	REAL300000556502	1	44	-2.0	-112.46	386.12	8.31	-104.15
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000556504	0	45	-2.0	-102.73	389.05	9.87	-92.86
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000556506	0	42	-2.0	-117.86	369.52	9.54	-108.32
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000556507	0	40	-2.0	-114.99	349.43	7.71	-107.28
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000556508	1	43	-2.0	-102.79	366.96	8.25	-94.54
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000556509	1	46	-2.0	-119.90	386.83	9.80	-110.10
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000556510	0	39	-2.0	-108.94	342.77	5.74	-103.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1C	REAL300000556511	0	44	-2.0	-102.65	373.99	7.48	-95.17
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000556512	0	37	-2.0	-98.59	345.90	6.67	-91.92
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000556513	1	47	-2.0	-105.11	391.92	9.57	-95.54
CC1=CC=C(C(C)C)C=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000556514	1	47	-2.0	-107.70	389.88	9.55	-98.15
CCC1=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2C)C=C(C(=O)[O-])O1	REAL300000556515	0	43	-2.0	-104.80	367.91	7.67	-97.13
COC(=O)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300000556516	1	41	-2.0	-108.59	375.85	7.94	-100.65
COC(=O)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300000556517	1	41	-2.0	-122.37	375.86	7.92	-114.45
COC(=O)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=CC=C21	REAL300000556518	0	38	-2.0	-116.12	369.05	6.95	-109.17
COC(=O)CN1C=CC2=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=CC=C21	REAL300000556519	0	42	-2.0	-120.52	382.51	7.28	-113.24
COC(=O)CN1C=CC2=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=CC=C21	REAL300000556520	0	38	-2.0	-117.65	367.51	6.96	-110.69
COC(=O)CN1C=CC2=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=CC=C21	REAL300000556521	0	41	-2.0	-115.15	378.87	7.06	-108.09
COC(=O)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=CC=C21	REAL300000556522	0	38	-2.0	-110.16	368.13	7.06	-103.10
COC(=O)CN1C=CC2=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=CC=C21	REAL300000556523	0	40	-2.0	-118.58	372.85	5.99	-112.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)=CC=C1F	REAL300000556524	0	32	-2.0	-99.60	326.24	5.16	-94.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)C=C1	REAL300000556525	0	32	-2.0	-90.58	321.74	5.13	-85.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)=C1	REAL300000556526	0	32	-2.0	-102.50	321.72	5.13	-97.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)C=C1C(=O)[O-]	REAL300000556527	0	35	-2.0	-103.54	337.73	5.66	-97.88
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)=C1	REAL300000556528	0	32	-2.0	-98.25	327.22	5.18	-93.07
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)=C1	REAL300000556529	0	29	-2.0	-96.74	314.95	4.14	-92.60
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OC(F)(F)F	REAL300000556530	0	35	-2.0	-101.32	334.88	5.83	-95.49
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)C=C1C(=O)[O-]	REAL300000556531	0	33	-2.0	-100.36	328.36	4.47	-95.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)=C1	REAL300000556532	0	32	-2.0	-93.39	330.86	4.80	-88.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)=CS1	REAL300000556533	0	29	-2.0	-97.97	313.35	4.16	-93.81
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)C=C(C(=O)[O-])O1	REAL300000556534	0	32	-2.0	-96.24	324.78	4.27	-91.97
CC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)C=C(C(=O)[O-])S1	REAL300000556535	0	32	-2.0	-98.14	328.78	4.93	-93.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)C=C1F	REAL300000556536	0	32	-2.0	-90.39	326.22	5.17	-85.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)S1	REAL300000556537	0	29	-2.0	-92.10	314.03	4.27	-87.83
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)=C1	REAL300000556538	0	32	-2.0	-93.76	328.11	5.20	-88.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)C(F)=C1	REAL300000556539	0	32	-2.0	-89.95	327.23	5.21	-84.74
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)=C1	REAL300000556540	0	33	-2.0	-99.55	330.48	2.89	-96.66
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)C=C1	REAL300000556541	0	35	-2.0	-95.20	343.95	5.90	-89.30
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OC(F)(F)F	REAL300000556542	0	35	-2.0	-99.15	331.82	5.77	-93.38
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(F)=C1OC(F)(F)F	REAL300000556543	0	35	-2.0	-90.39	334.83	5.83	-84.56
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)C=C1C(=O)[O-]	REAL300000556544	0	36	-2.0	-102.22	349.66	5.33	-96.89
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)=CC=C1C(=O)[O-]	REAL300000556545	0	35	-2.0	-90.53	337.70	5.67	-84.86
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)=C1F	REAL300000556546	0	32	-2.0	-107.47	325.40	5.15	-102.32
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)=C1	REAL300000556547	0	31	-2.0	-97.78	318.70	3.18	-94.60
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(F)=C2OC(F)(F)F)C=C(C(=O)[O-])O1	REAL300000556548	0	35	-2.0	-94.97	334.80	4.86	-90.11
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000556549	1	32	-2.0	-106.45	321.45	2.34	-104.11
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000556550	1	32	-2.0	-96.75	316.89	2.31	-94.44
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000556551	1	32	-2.0	-108.88	316.92	2.30	-106.58
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000556552	0	36	-2.0	-113.73	345.06	2.10	-111.63
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000556553	1	36	-2.0	-96.22	348.36	3.60	-92.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000556554	1	35	-2.0	-109.99	332.93	2.84	-107.15
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000556555	0	32	-2.0	-104.16	329.99	2.88	-101.28
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000556556	1	32	-2.0	-104.79	329.42	2.70	-102.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)=C1C	REAL300000556557	1	38	-2.0	-111.32	349.59	3.65	-107.67
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000556558	0	32	-2.0	-105.71	322.40	2.37	-103.34
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000556559	1	38	-2.0	-95.19	360.48	3.90	-91.29
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000556560	0	29	-2.0	-103.21	310.10	1.32	-101.89
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000556561	1	35	-2.0	-109.15	332.35	3.10	-106.05
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000556562	1	36	-2.0	-94.89	347.98	2.59	-92.30
CN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000556563	0	33	-2.0	-107.37	323.56	1.66	-105.71
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000556564	1	36	-2.0	-109.68	341.12	1.13	-108.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)=C1	REAL300000556565	0	32	-2.0	-99.55	326.03	1.99	-97.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000556566	1	38	-2.0	-110.40	348.37	3.63	-106.77
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000556567	0	29	-2.0	-104.69	308.57	1.35	-103.34
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000556568	1	36	-2.0	-114.71	344.21	2.37	-112.34
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000556569	1	41	-2.0	-111.26	370.81	4.31	-106.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000556570	1	38	-2.0	-107.48	347.05	4.02	-103.46
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000556571	0	39	-2.0	-114.75	367.35	2.87	-111.88
NC(=O)C1=CC(Cl)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000556572	0	35	-2.0	-115.38	351.85	2.74	-112.64
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000556572	1	34	-3.0	-184.51	345.32	2.86	-181.65
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000556573	1	39	-2.0	-113.29	361.16	4.20	-109.09
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000556574	0	32	-2.0	-102.62	319.92	1.45	-101.17
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)=C1	REAL300000556575	0	36	-2.0	-110.20	345.90	1.39	-108.81
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)=CC=C1OCC(=O)[O-]	REAL300000556576	1	39	-2.0	-95.38	368.07	3.30	-92.08
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000556577	1	35	-2.0	-100.01	337.62	3.12	-96.89
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000556578	1	39	-2.0	-115.34	366.05	3.28	-112.06
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)C=C(C(=O)[O-])S1	REAL300000556579	0	32	-2.0	-105.70	326.61	2.20	-103.50
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000556580	0	32	-2.0	-94.37	329.97	2.87	-91.50
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000556581	1	32	-2.0	-96.32	321.44	2.35	-93.97
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000556582	0	29	-2.0	-98.25	309.19	1.44	-96.81
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000556583	1	32	-2.0	-99.87	323.32	2.37	-97.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)=C1F	REAL300000556584	0	35	-2.0	-107.07	342.66	3.00	-104.07
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000556585	0	32	-2.0	-96.19	322.38	2.38	-93.81
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000556586	1	32	-2.0	-94.39	329.41	2.71	-91.68
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000556587	1	32	-2.0	-98.15	327.75	2.40	-95.75
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000556588	0	34	-2.0	-94.12	345.11	2.98	-91.14
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000556589	0	33	-2.0	-107.85	326.63	0.02	-107.83
NC(=O)C1=CC(Cl)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000556589	1	33	-2.0	-105.83	315.65	0.89	-104.94
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000556590	1	35	-2.0	-99.63	339.08	3.09	-96.54
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000556591	1	35	-2.0	-105.69	326.95	2.95	-102.74
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)=CC(C(=O)[O-])=C1F	REAL300000556592	1	35	-2.0	-107.82	341.75	2.96	-104.86
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000556593	1	35	-2.0	-96.88	332.33	3.09	-93.79
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)=CC(C(=O)[O-])=C1C	REAL300000556594	1	38	-2.0	-113.18	354.41	3.51	-109.67
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000556595	0	34	-2.0	-107.62	343.47	3.40	-104.22
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000556596	0	32	-2.0	-97.60	328.67	2.43	-95.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)C(C)=C1C(=O)[O-]	REAL300000556597	1	38	-2.0	-109.89	351.39	3.70	-106.19
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000556598	0	35	-2.0	-106.75	338.39	2.91	-103.84
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)=C1	REAL300000556599	0	35	-2.0	-114.38	341.95	3.00	-111.38
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000556600	1	38	-2.0	-110.67	350.88	3.49	-107.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)C=C1CC(=O)[O-]	REAL300000556601	1	39	-2.0	-109.93	367.38	2.44	-107.49
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000556602	0	36	-2.0	-108.61	344.94	2.53	-106.08
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)=CC=C1C(=O)[O-]	REAL300000556603	1	35	-2.0	-96.84	332.92	2.85	-93.99
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000556604	1	35	-2.0	-106.60	336.87	3.13	-103.47
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000556605	0	34	-2.0	-116.83	340.66	4.15	-112.68
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000556606	0	32	-2.0	-113.59	320.58	2.34	-111.25
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)C=C1C(=O)[O-]	REAL300000556607	1	35	-2.0	-101.72	341.86	2.98	-98.74
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000556608	0	31	-2.0	-106.60	313.14	0.43	-106.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(C(N)=O)=C1	REAL300000556609	0	36	-2.0	-100.85	345.12	2.10	-98.75
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000556610	0	29	-2.0	-96.64	317.06	1.28	-95.36
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000556611	1	39	-2.0	-102.87	363.04	4.19	-98.68
NC(=O)C1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000556612	1	39	-2.0	-107.33	362.36	4.18	-103.15
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(C(N)=O)=C2)C=C(C(=O)[O-])O1	REAL300000556613	0	35	-2.0	-102.43	339.05	2.30	-100.13
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000556614	0	45	-2.0	-89.95	386.00	4.88	-85.07
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000556615	0	38	-2.0	-107.71	334.09	6.31	-101.40
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1O	REAL300000556616	0	46	-2.0	-107.68	389.16	7.25	-100.43
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000556617	0	38	-2.0	-96.78	329.52	6.30	-90.48
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000556618	0	38	-2.0	-110.37	329.55	6.28	-104.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1O	REAL300000556619	0	42	-2.0	-115.51	357.68	5.96	-109.55
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000556620	0	42	-2.0	-96.03	360.99	7.59	-88.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C=C1C(=O)[O-]	REAL300000556621	0	41	-2.0	-111.64	345.57	6.80	-104.84
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000556622	0	38	-2.0	-103.80	342.62	6.82	-96.98
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000556623	0	38	-2.0	-106.14	342.06	6.68	-99.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)=C1C	REAL300000556624	0	44	-2.0	-111.11	362.21	7.61	-103.50
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000556625	0	38	-2.0	-105.91	335.01	6.34	-99.57
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000556626	0	44	-2.0	-95.17	373.13	7.86	-87.31
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000556627	0	35	-2.0	-102.92	322.74	5.33	-97.59
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1O	REAL300000556628	0	41	-2.0	-108.75	344.97	7.02	-101.73
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000556629	0	42	-2.0	-94.65	360.61	6.56	-88.09
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000556630	0	39	-2.0	-107.04	336.19	5.65	-101.39
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1O	REAL300000556631	0	42	-2.0	-109.46	353.33	5.11	-104.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)=C1	REAL300000556632	0	38	-2.0	-100.21	338.65	5.99	-94.22
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C=C1C(=O)[O-]	REAL300000556633	0	44	-2.0	-110.10	361.00	7.56	-102.54
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000556634	0	35	-2.0	-104.13	321.20	5.34	-98.79
COC1=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)=CC(C(=O)[O-])=C1OC	REAL300000556635	0	46	-2.0	-108.83	387.88	6.10	-102.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C=C1C(=O)[O-]	REAL300000556636	0	42	-2.0	-116.31	356.83	6.35	-109.96
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000556637	0	48	-2.0	-113.20	384.78	8.90	-104.30
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000556638	0	47	-2.0	-111.10	383.45	8.27	-102.83
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1O	REAL300000556639	0	44	-2.0	-106.99	359.67	7.96	-99.03
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1O	REAL300000556640	0	45	-2.0	-115.97	379.97	6.73	-109.24
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000556641	0	40	-3.0	-185.98	357.95	6.83	-179.15
CC(C)C1=CC=C(O)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000556641	1	41	-2.0	-107.66	364.44	4.58	-103.08
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000556642	0	45	-2.0	-113.51	373.79	8.17	-105.34
CC1=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000556643	0	38	-2.0	-102.52	332.56	5.42	-97.10
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000556644	0	44	-2.0	-115.31	371.72	6.07	-109.24
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)=C1	REAL300000556645	0	42	-2.0	-111.59	358.46	5.25	-106.34
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000556646	0	46	-2.0	-95.85	382.47	6.87	-88.98
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000556647	0	38	-2.0	-100.46	347.13	6.86	-93.60
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000556648	0	42	-2.0	-93.28	376.65	7.09	-86.19
CC1=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)=CC=C1OCC(=O)[O-]	REAL300000556649	0	45	-2.0	-95.12	380.70	7.26	-87.86
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1O	REAL300000556650	0	41	-2.0	-99.68	350.25	7.05	-92.63
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000556651	0	42	-2.0	-94.32	366.85	6.62	-87.70
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C=C1C(=O)[O-]	REAL300000556652	0	45	-2.0	-117.05	378.70	7.25	-109.80
CC1=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C=C(C(=O)[O-])S1	REAL300000556653	0	38	-2.0	-105.30	339.24	6.17	-99.13
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000556654	0	38	-2.0	-94.12	342.59	6.83	-87.29
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000556655	0	38	-2.0	-96.39	334.07	6.32	-90.07
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000556656	0	35	-2.0	-98.88	321.81	5.44	-93.44
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000556657	0	38	-2.0	-100.96	335.96	6.34	-94.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)=C1F	REAL300000556658	0	41	-2.0	-108.68	355.29	6.97	-101.71
COC1=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)=C(Cl)C=C1C(=O)[O-]	REAL300000556659	0	42	-2.0	-99.13	369.85	6.88	-92.25
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000556660	0	38	-2.0	-95.90	335.00	6.36	-89.54
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000556661	0	38	-2.0	-94.39	342.04	6.68	-87.71
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1O	REAL300000556662	0	41	-2.0	-101.31	358.98	7.44	-93.87
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000556663	0	46	-2.0	-92.51	393.27	7.71	-84.80
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000556664	0	38	-2.0	-97.49	340.37	6.37	-91.12
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000556665	0	40	-2.0	-94.91	357.74	6.94	-87.97
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000556666	0	39	-2.0	-107.86	339.26	3.87	-103.99
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000556667	0	41	-2.0	-100.28	351.73	7.05	-93.23
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000556668	0	38	-2.0	-98.94	350.26	6.82	-92.12
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1O	REAL300000556669	0	41	-2.0	-106.24	339.58	6.88	-99.36
CC1=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)=CC(C(=O)[O-])=C1F	REAL300000556670	0	41	-2.0	-109.27	354.39	6.93	-102.34
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1O	REAL300000556671	0	41	-2.0	-96.75	344.95	7.01	-89.74
CC1=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)=CC(C(=O)[O-])=C1C	REAL300000556672	0	44	-2.0	-111.55	363.01	7.36	-104.19
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000556673	0	40	-2.0	-108.49	356.12	7.36	-101.13
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000556674	0	38	-2.0	-98.59	341.28	6.40	-92.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C(C)=C1C(=O)[O-]	REAL300000556675	0	44	-2.0	-110.72	363.08	7.67	-103.05
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C=C1C(=O)[O-]	REAL300000556676	0	41	-2.0	-108.30	354.86	6.97	-101.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)=C1Cl	REAL300000556677	0	41	-2.0	-107.43	361.32	7.39	-100.04
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)=C1	REAL300000556678	0	41	-2.0	-115.64	354.58	6.97	-108.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C=C1C(=O)[O-]	REAL300000556679	0	44	-2.0	-112.43	363.86	7.47	-104.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C=C1CC(=O)[O-]	REAL300000556680	0	45	-2.0	-111.40	380.02	6.40	-105.00
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1O	REAL300000556681	0	41	-2.0	-99.42	355.81	7.46	-91.96
CC1=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)=CC(C(=O)[O-])=C1Cl	REAL300000556682	0	41	-2.0	-108.06	360.78	7.24	-100.82
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C=C1C(=O)[O-]	REAL300000556683	0	42	-2.0	-110.01	357.49	6.53	-103.48
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C(C)=C1CC(=O)[O-]	REAL300000556684	0	50	-2.0	-110.44	394.70	9.04	-101.40
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C=C1C(=O)[O-]	REAL300000556685	0	41	-2.0	-103.15	363.32	7.34	-95.81
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000556686	0	47	-2.0	-104.60	378.98	8.33	-96.27
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C=C1C(=O)[O-]	REAL300000556687	0	42	-2.0	-111.21	369.87	6.89	-104.32
CC1=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)=CC=C1C(=O)[O-]	REAL300000556688	0	41	-2.0	-96.89	345.55	6.82	-90.07
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000556689	0	43	-2.0	-100.07	372.80	8.29	-91.78
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1O	REAL300000556690	0	41	-2.0	-106.43	349.08	7.10	-99.33
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000556691	0	40	-2.0	-117.69	353.27	7.99	-109.70
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000556692	0	38	-2.0	-114.70	333.17	6.30	-108.40
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C=C1C(=O)[O-]	REAL300000556693	0	41	-2.0	-101.30	354.50	6.94	-94.36
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000556694	0	44	-2.0	-119.06	370.59	8.41	-110.65
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000556695	0	37	-2.0	-106.13	326.52	4.37	-101.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C(C)C)=CC=C1O	REAL300000556696	0	42	-2.0	-101.25	357.75	5.96	-95.29
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000556697	0	35	-2.0	-97.55	329.64	5.28	-92.27
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000556698	0	45	-2.0	-102.79	375.67	8.17	-94.62
CC(C)C1=CC=C(O)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000556699	0	45	-2.0	-106.02	373.63	8.15	-97.87
CCC1=C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2O)C=C(C(=O)[O-])O1	REAL300000556700	0	41	-2.0	-102.35	351.66	6.28	-96.07
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)=CO1	REAL300000556701	1	37	-2.0	-107.01	346.57	4.09	-102.92
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2)=CO1	REAL300000556702	1	37	-2.0	-97.12	342.01	4.06	-93.06
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)=CO1	REAL300000556703	1	37	-2.0	-109.46	342.05	4.06	-105.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=COC(C)=N2)C=C1	REAL300000556704	0	41	-2.0	-114.59	370.18	3.84	-110.75
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2)=CO1	REAL300000556705	1	41	-2.0	-96.70	373.49	5.35	-91.35
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2)=CO1	REAL300000556706	1	40	-2.0	-110.56	358.06	4.59	-105.97
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2)=CO1	REAL300000556707	0	37	-2.0	-104.81	355.11	4.63	-100.18
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2)=CO1	REAL300000556708	1	37	-2.0	-105.31	354.54	4.45	-100.86
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2)=CO1	REAL300000556709	1	43	-2.0	-111.88	374.43	5.37	-106.51
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)=CO1	REAL300000556710	0	37	-2.0	-106.43	347.51	4.12	-102.31
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2)=CO1	REAL300000556711	1	43	-2.0	-95.90	385.60	5.65	-90.25
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)=CO1	REAL300000556712	0	34	-2.0	-103.73	335.22	3.07	-100.66
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2)=CO1	REAL300000556713	1	40	-2.0	-110.02	357.47	4.84	-105.18
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2)=CO1	REAL300000556714	1	41	-2.0	-95.46	373.10	4.34	-91.12
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=CO1	REAL300000556715	0	38	-2.0	-107.90	348.69	3.40	-104.50
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2)=CO1	REAL300000556717	0	37	-2.0	-99.91	351.17	3.73	-96.18
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=C2)=CO1	REAL300000556718	1	43	-2.0	-111.15	373.50	5.37	-105.78
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)=CO1	REAL300000556719	0	34	-2.0	-105.15	333.69	3.09	-102.06
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=COC(C)=N3)C=C2)C=C1C(=O)[O-]	REAL300000556720	1	41	-2.0	-115.30	369.31	4.12	-111.18
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=COC(C)=N2)C=C1	REAL300000556721	1	43	-2.0	-108.41	372.19	5.78	-102.63
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2)=CO1	REAL300000556722	1	44	-2.0	-114.13	386.28	5.96	-108.17
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)=CO1	REAL300000556723	0	37	-2.0	-103.20	345.07	3.20	-100.00
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2)=CO1	REAL300000556724	0	41	-2.0	-110.64	371.00	3.15	-107.49
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2)=CO1	REAL300000556725	1	40	-2.0	-100.65	362.75	4.87	-95.78
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2)=CO1	REAL300000556726	0	37	-2.0	-106.58	350.63	3.95	-102.63
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2)=CO1	REAL300000556727	0	37	-2.0	-94.78	355.09	4.62	-90.16
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)=CO1	REAL300000556728	1	37	-2.0	-96.65	346.57	4.09	-92.56
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)=CO1	REAL300000556729	0	34	-2.0	-98.71	334.30	3.19	-95.52
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)=CO1	REAL300000556730	1	37	-2.0	-100.34	348.44	4.12	-96.22
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2)=CO1	REAL300000556731	0	40	-2.0	-107.76	367.81	4.75	-103.01
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)=CO1	REAL300000556732	0	37	-2.0	-96.45	347.50	4.12	-92.33
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)=CO1	REAL300000556733	1	37	-2.0	-94.66	354.54	4.45	-90.21
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2)=CO1	REAL300000556734	1	37	-2.0	-98.65	352.86	4.15	-94.50
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)=CO1	REAL300000556735	0	38	-2.0	-108.83	351.75	1.77	-107.06
CC1=NC(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)=CO1	REAL300000556735	1	38	-2.0	-108.53	350.95	2.56	-105.97
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)=CO1	REAL300000556736	1	40	-2.0	-100.24	364.20	4.84	-95.40
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2)=CO1	REAL300000556737	1	40	-2.0	-107.02	355.86	4.80	-102.22
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C2)=CO1	REAL300000556738	1	40	-2.0	-108.31	366.87	4.71	-103.60
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C2)=CO1	REAL300000556739	1	40	-2.0	-97.29	357.45	4.83	-92.46
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C2)=CO1	REAL300000556740	1	43	-2.0	-112.41	374.91	5.11	-107.30
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2)=CO1	REAL300000556741	0	37	-2.0	-98.12	353.79	4.18	-93.94
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=C2)=CO1	REAL300000556742	1	43	-2.0	-110.17	376.04	5.43	-104.74
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2)=CO1	REAL300000556743	0	40	-2.0	-107.47	363.51	4.66	-102.81
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2)=CO1	REAL300000556744	0	40	-2.0	-114.63	367.07	4.75	-109.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=COC(C)=N3)C=C2)C=C1C(=O)[O-]	REAL300000556745	1	43	-2.0	-111.23	376.27	5.24	-105.99
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=COC(C)=N3)C=C2)C=C1C(=O)[O-]	REAL300000556746	0	41	-2.0	-109.20	370.06	4.28	-104.92
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2)=CO1	REAL300000556747	1	40	-2.0	-97.20	358.04	4.59	-92.61
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C2)=CO1	REAL300000556748	1	40	-2.0	-107.47	361.99	4.87	-102.60
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)=CO1	REAL300000556749	0	37	-2.0	-113.93	345.66	4.07	-109.86
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2)=CO1	REAL300000556750	1	40	-2.0	-102.14	367.00	4.73	-97.41
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=CO1	REAL300000556751	0	36	-2.0	-110.63	338.24	2.18	-108.45
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=COC(C)=N2)C=C1	REAL300000556752	0	41	-2.0	-101.27	370.24	3.84	-97.43
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)=CO1	REAL300000556753	0	34	-2.0	-97.13	342.19	3.03	-94.10
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2)=CO1	REAL300000556754	1	44	-2.0	-103.34	388.16	5.94	-97.40
CC1=NC(C2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2)=CO1	REAL300000556755	1	44	-2.0	-105.69	387.48	5.94	-99.75
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=COC(C)=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000556756	0	40	-2.0	-103.06	364.16	4.04	-99.02
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)CCCC2	REAL300000556757	0	44	-2.0	-104.85	380.66	8.36	-96.49
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)CCCC2	REAL300000556758	0	44	-2.0	-118.12	380.69	8.36	-109.76
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)CCCC2	REAL300000556759	0	41	-2.0	-112.04	373.87	7.37	-104.67
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)CCCC2	REAL300000556760	0	45	-2.0	-116.45	387.34	7.71	-108.74
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)CCCC2	REAL300000556761	0	41	-2.0	-113.53	372.34	7.39	-106.14
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)CCCC2	REAL300000556762	0	44	-2.0	-110.49	383.70	7.50	-102.99
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)CCCC2	REAL300000556763	0	41	-2.0	-106.83	372.94	7.49	-99.34
COC(=O)C1=CC2=C(C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)CCCC2	REAL300000556764	0	43	-2.0	-116.24	376.90	6.48	-109.76
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000556765	1	36	-2.0	-99.85	342.51	4.39	-95.46
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2)=N1	REAL300000556766	1	36	-2.0	-90.18	337.96	4.37	-85.81
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300000556767	1	36	-2.0	-101.99	337.99	4.36	-97.63
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC(C)=NO2)C=C1	REAL300000556768	0	40	-2.0	-107.36	366.12	4.16	-103.20
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2)=N1	REAL300000556769	1	40	-2.0	-89.99	369.43	5.66	-84.33
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000556770	1	39	-2.0	-104.36	358.07	5.01	-99.35
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=C2)=N1	REAL300000556771	0	36	-2.0	-98.01	351.05	4.94	-93.07
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000556772	1	36	-2.0	-98.00	350.48	4.76	-93.24
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2)=N1	REAL300000556773	1	42	-2.0	-105.24	370.38	5.67	-99.57
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)=N1	REAL300000556774	0	36	-2.0	-99.31	343.46	4.43	-94.88
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2)=N1	REAL300000556775	1	42	-2.0	-89.24	381.55	5.95	-83.29
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)=N1	REAL300000556776	0	33	-2.0	-96.54	331.16	3.39	-93.15
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2)=N1	REAL300000556777	1	39	-2.0	-103.48	353.41	5.15	-98.33
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=C2)=N1	REAL300000556778	1	40	-2.0	-88.75	369.05	4.65	-84.10
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000556779	0	37	-2.0	-100.51	344.64	3.72	-96.79
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C=C2)=N1	REAL300000556780	1	40	-2.0	-103.86	362.18	3.19	-100.67
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2)=N1	REAL300000556781	0	36	-2.0	-92.86	347.10	4.05	-88.81
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=C2)=N1	REAL300000556782	1	42	-2.0	-104.43	369.44	5.69	-98.74
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)=N1	REAL300000556783	0	33	-2.0	-97.98	329.63	3.41	-94.57
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC(C)=NO3)C=C2)C=C1C(=O)[O-]	REAL300000556784	1	40	-2.0	-107.82	365.27	4.43	-103.39
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NC(C)=NO2)C=C1	REAL300000556785	1	42	-2.0	-102.06	368.12	6.10	-95.96
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=C2)=N1	REAL300000556786	1	43	-2.0	-107.15	382.22	6.26	-100.89
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)=N1	REAL300000556787	0	36	-2.0	-96.71	340.99	3.51	-93.20
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2)=N1	REAL300000556788	0	40	-2.0	-103.04	366.95	3.45	-99.59
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2)=N1	REAL300000556789	1	39	-2.0	-94.24	358.69	5.19	-89.05
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2)=N1	REAL300000556790	0	36	-2.0	-100.01	346.58	4.25	-95.76
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=C2)=N1	REAL300000556791	0	36	-2.0	-87.93	351.03	4.92	-83.01
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)=N1	REAL300000556792	1	36	-2.0	-89.95	342.49	4.40	-85.55
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)=N1	REAL300000556793	0	33	-2.0	-91.75	330.25	3.49	-88.26
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300000556794	0	36	-2.0	-93.08	344.38	4.43	-88.65
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2)=N1	REAL300000556795	0	39	-2.0	-100.61	363.74	5.07	-95.54
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)=N1	REAL300000556796	0	36	-2.0	-89.39	343.44	4.43	-84.96
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)=N1	REAL300000556797	1	36	-2.0	-87.90	350.46	4.76	-83.14
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000556798	1	36	-2.0	-91.72	348.81	4.46	-87.26
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)=N1	REAL300000556799	0	37	-2.0	-102.51	347.69	2.07	-100.44
CC1=NOC(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)=N1	REAL300000556799	1	37	-2.0	-103.95	346.91	2.89	-101.06
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)=N1	REAL300000556800	1	39	-2.0	-93.55	360.15	5.15	-88.40
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2)=N1	REAL300000556801	1	39	-2.0	-99.22	351.80	5.10	-94.12
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000556802	1	39	-2.0	-101.05	362.81	5.01	-96.04
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=C2)=N1	REAL300000556803	1	39	-2.0	-90.68	353.39	5.13	-85.55
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000556804	1	42	-2.0	-104.68	370.85	5.43	-99.25
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=C2)=N1	REAL300000556805	0	36	-2.0	-91.13	349.74	4.49	-86.64
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=C2)=N1	REAL300000556806	1	42	-2.0	-102.42	371.37	5.77	-96.65
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2)=N1	REAL300000556807	0	39	-2.0	-100.22	359.45	4.96	-95.26
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2)=N1	REAL300000556808	0	39	-2.0	-106.32	362.99	5.05	-101.27
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NC(C)=NO3)C=C2)C=C1C(=O)[O-]	REAL300000556809	1	42	-2.0	-103.52	372.21	5.55	-97.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NC(C)=NO3)C=C2)C=C1C(=O)[O-]	REAL300000556810	0	40	-2.0	-101.71	366.00	4.58	-97.13
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=C2)=N1	REAL300000556811	1	39	-2.0	-90.29	353.98	4.91	-85.38
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=C2)=N1	REAL300000556812	1	39	-2.0	-101.17	357.93	5.18	-95.99
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)=N1	REAL300000556813	0	36	-2.0	-105.66	341.60	4.39	-101.27
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2)=N1	REAL300000556814	1	39	-2.0	-94.79	362.92	5.04	-89.75
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=N1	REAL300000556815	0	35	-2.0	-99.51	334.19	2.49	-97.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NC(C)=NO2)C=C1	REAL300000556816	0	40	-2.0	-94.15	366.18	4.17	-89.98
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)=N1	REAL300000556817	0	33	-2.0	-90.51	338.13	3.34	-87.17
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=C2)=N1	REAL300000556818	1	43	-2.0	-96.65	384.11	6.25	-90.40
CC1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=C2)=N1	REAL300000556819	1	43	-2.0	-98.94	383.42	6.25	-92.69
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NC(C)=NO3)C=C2)C=C(C(=O)[O-])O1	REAL300000556820	0	39	-2.0	-96.69	360.11	4.36	-92.33
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000556821	0	36	-2.0	-112.31	353.54	4.15	-108.16
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000556822	0	36	-2.0	-102.76	348.97	4.13	-98.63
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000556823	0	36	-2.0	-115.04	349.00	4.12	-110.92
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=N1	REAL300000556824	0	40	-2.0	-119.59	377.11	3.94	-115.65
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000556825	0	40	-2.0	-101.87	380.44	5.42	-96.45
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000556826	0	39	-2.0	-115.93	365.00	4.66	-111.27
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000556827	0	36	-2.0	-110.07	362.06	4.70	-105.37
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000556828	0	36	-2.0	-110.68	361.50	4.52	-106.16
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000556829	0	42	-2.0	-117.20	381.66	5.48	-111.72
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000556830	0	36	-2.0	-111.67	354.46	4.19	-107.48
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000556831	0	42	-2.0	-100.94	392.56	5.71	-95.23
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000556832	0	33	-2.0	-109.43	342.18	3.15	-106.28
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000556833	0	39	-2.0	-115.05	364.43	4.91	-110.14
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000556834	0	40	-2.0	-100.64	380.06	4.41	-96.23
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000556835	0	37	-2.0	-113.55	355.64	3.48	-110.07
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000556836	0	40	-2.0	-115.65	373.20	2.94	-112.71
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300000556837	0	36	-2.0	-105.58	358.10	3.81	-101.77
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000556838	0	42	-2.0	-116.18	380.45	5.44	-110.74
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000556839	0	33	-2.0	-110.61	340.66	3.15	-107.46
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000556840	0	40	-2.0	-120.89	376.28	4.19	-116.70
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000556841	0	45	-2.0	-117.17	402.88	6.13	-111.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CCOC)C=C1C#N	REAL300000556842	0	42	-2.0	-113.27	379.15	5.84	-107.43
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=N1	REAL300000556843	0	43	-2.0	-118.83	399.40	4.71	-114.12
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000556844	0	38	-3.0	-191.21	377.40	4.69	-186.52
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000556845	0	43	-2.0	-119.31	393.24	6.01	-113.30
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300000556846	0	36	-2.0	-108.66	351.99	3.27	-105.39
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=N1	REAL300000556847	0	40	-2.0	-116.77	377.92	3.21	-113.56
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=N1	REAL300000556848	0	43	-2.0	-101.10	400.15	5.11	-95.99
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000556849	0	39	-2.0	-105.98	369.69	4.94	-101.04
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000556850	0	40	-2.0	-100.21	386.30	4.47	-95.74
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CCOC)C=C2C#N)C=C1C(=O)[O-]	REAL300000556851	0	43	-2.0	-121.39	398.18	5.09	-116.30
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300000556852	0	36	-2.0	-111.55	358.66	4.01	-107.54
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000556853	0	36	-2.0	-100.40	362.04	4.68	-95.72
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000556854	0	36	-2.0	-102.32	353.53	4.16	-98.16
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000556855	0	33	-2.0	-104.39	341.25	3.25	-101.14
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000556856	0	36	-2.0	-105.84	355.38	4.19	-101.65
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000556857	0	39	-2.0	-113.08	374.75	4.83	-108.25
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000556858	0	36	-2.0	-102.18	354.45	4.19	-97.99
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000556859	0	36	-2.0	-100.37	361.48	4.53	-95.84
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300000556860	0	39	-2.0	-107.58	378.43	5.33	-102.25
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000556861	0	36	-2.0	-104.29	359.82	4.22	-100.07
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000556862	0	38	-2.0	-100.09	377.17	4.79	-95.30
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=N1	REAL300000556863	0	36	-3.0	-211.28	355.13	2.73	-208.55
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000556863	1	37	-2.0	-113.71	358.70	1.84	-111.87
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000556864	0	39	-2.0	-105.53	371.16	4.91	-100.62
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000556865	0	39	-2.0	-111.81	359.05	4.76	-107.05
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000556866	0	39	-2.0	-114.07	373.81	4.78	-109.29
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000556867	0	39	-2.0	-102.88	364.41	4.90	-97.98
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000556868	0	42	-2.0	-119.40	385.80	5.29	-114.11
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000556869	0	38	-2.0	-113.34	375.57	5.21	-108.13
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000556870	0	36	-2.0	-103.60	360.75	4.25	-99.35
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000556871	0	42	-2.0	-116.14	383.47	5.50	-110.64
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000556872	0	39	-2.0	-113.96	374.30	4.82	-109.14
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=N1	REAL300000556873	0	39	-2.0	-111.88	380.75	5.26	-106.62
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=N1	REAL300000556874	0	39	-2.0	-120.47	374.03	4.81	-115.66
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CCOC)C=C2C#N)C=C1C(=O)[O-]	REAL300000556875	0	42	-2.0	-116.61	383.23	5.31	-111.30
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=N1	REAL300000556876	0	43	-2.0	-115.83	399.47	4.25	-111.58
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=N1	REAL300000556877	0	39	-2.0	-105.01	375.26	5.31	-99.70
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000556878	0	39	-2.0	-112.79	380.20	5.08	-107.71
CCN1C=C(S(=O)(=O)[N-]C2=NN(CCOC)C=C2C#N)C=C1C(=O)[O-]	REAL300000556879	0	40	-2.0	-114.68	377.01	4.34	-110.34
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000556880	0	39	-2.0	-108.42	378.87	5.09	-103.33
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000556881	0	39	-2.0	-102.89	365.01	4.67	-98.22
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000556882	0	39	-2.0	-112.54	368.95	4.94	-107.60
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000556883	0	38	-2.0	-122.75	372.71	5.99	-116.76
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000556884	0	36	-2.0	-119.64	352.65	4.16	-115.48
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000556885	0	39	-2.0	-106.79	370.17	4.69	-102.10
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000556886	0	35	-2.0	-111.22	345.97	2.19	-109.03
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300000556887	0	40	-2.0	-106.79	377.19	3.93	-102.86
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000556888	0	33	-2.0	-102.85	349.09	3.09	-99.76
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000556889	0	43	-2.0	-108.80	395.11	6.01	-102.79
COCCN1C=C(C#N)C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000556890	0	43	-2.0	-113.62	394.43	6.01	-107.61
CCC1=C(S(=O)(=O)[N-]C2=NN(CCOC)C=C2C#N)C=C(C(=O)[O-])O1	REAL300000556891	0	39	-2.0	-108.40	371.10	4.13	-104.27
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)=CC=C1F	REAL300000556892	1	37	-2.0	-113.76	340.64	3.02	-110.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)C=C1	REAL300000556893	1	37	-2.0	-104.47	336.09	3.00	-101.47
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)=C1	REAL300000556894	1	37	-2.0	-117.18	336.12	2.98	-114.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000556895	1	40	-2.0	-119.61	355.59	3.63	-115.98
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)=C1	REAL300000556896	0	37	-2.0	-114.58	341.60	3.05	-111.53
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)=C1	REAL300000556897	0	34	-2.0	-111.26	329.31	2.00	-109.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C(=O)CNC2=O)C=C1	REAL300000556898	1	40	-2.0	-118.50	351.55	3.77	-114.73
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000556899	0	38	-2.0	-115.48	342.76	2.35	-113.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)=C1	REAL300000556900	0	37	-2.0	-106.49	345.24	2.68	-103.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)=CS1	REAL300000556901	0	34	-2.0	-112.84	327.76	2.02	-110.82
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000556902	0	37	-2.0	-111.04	339.13	2.13	-108.91
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)C=C(C(=O)[O-])S1	REAL300000556903	1	37	-2.0	-114.71	344.72	2.88	-111.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)C=C1F	REAL300000556904	1	37	-2.0	-103.90	340.65	3.03	-100.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)S1	REAL300000556905	0	34	-2.0	-106.17	328.39	2.12	-104.05
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)=C1	REAL300000556906	1	37	-2.0	-107.06	342.51	3.06	-104.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)C(F)=C1	REAL300000556907	0	37	-2.0	-103.07	341.57	3.06	-100.01
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)=C1	REAL300000556908	0	38	-2.0	-117.45	345.84	0.69	-116.76
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3C(=O)CNC3=O)C=C2)=C1	REAL300000556908	1	38	-2.0	-115.22	344.92	1.58	-113.64
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)C=C1	REAL300000556909	1	40	-2.0	-108.30	358.28	3.77	-104.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C(=O)CNC2=O)C=C1	REAL300000556910	1	40	-2.0	-114.46	350.31	3.72	-110.74
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)C=C1C(=O)[O-]	REAL300000556912	0	41	-2.0	-116.79	364.13	3.21	-113.58
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)=CC=C1C(=O)[O-]	REAL300000556913	1	40	-2.0	-103.84	352.11	3.53	-100.31
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)=C1F	REAL300000556914	0	37	-2.0	-121.16	339.77	3.03	-118.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)=C1	REAL300000556915	0	36	-2.0	-113.84	332.32	1.11	-112.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)=C(Cl)O1	REAL300000556916	0	34	-2.0	-104.75	336.27	1.98	-102.77
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C(=O)CNC3=O)C=C2)C=C(C(=O)[O-])O1	REAL300000556917	0	40	-2.0	-111.02	358.25	2.98	-108.04
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000556918	1	38	-2.0	-101.92	345.86	5.96	-95.96
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000556919	1	38	-2.0	-92.07	341.32	5.94	-86.13
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000556920	1	38	-2.0	-104.41	341.33	5.91	-98.50
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(C)C)=C1	REAL300000556921	0	42	-2.0	-111.84	369.47	5.73	-106.11
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000556922	1	42	-2.0	-92.09	372.81	7.22	-84.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000556923	1	41	-2.0	-105.79	357.98	6.50	-99.29
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000556924	0	38	-2.0	-101.99	354.40	6.49	-95.50
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000556925	1	38	-2.0	-100.30	353.83	6.32	-93.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)=C1C	REAL300000556926	1	44	-2.0	-109.48	374.01	7.28	-102.20
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000556927	0	38	-2.0	-103.45	346.81	5.99	-97.46
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000556928	1	44	-2.0	-91.42	384.93	7.51	-83.91
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000556929	0	35	-2.0	-100.49	334.51	4.94	-95.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(C)C)=C1	REAL300000556930	1	41	-2.0	-106.19	356.81	6.71	-99.48
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000556931	1	42	-2.0	-90.70	372.41	6.22	-84.48
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000556932	0	39	-2.0	-102.80	347.98	5.28	-97.52
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(C)C)=C1	REAL300000556933	1	42	-2.0	-108.09	365.12	4.76	-103.33
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)=C1	REAL300000556934	0	38	-2.0	-94.79	350.48	5.61	-89.18
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000556935	1	44	-2.0	-107.30	372.76	7.25	-100.05
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000556936	0	35	-2.0	-100.16	332.98	4.97	-95.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000556937	1	42	-2.0	-110.22	368.62	5.99	-104.23
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000556938	1	47	-2.0	-109.56	395.24	7.92	-101.64
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(C)C)=C1	REAL300000556939	1	44	-2.0	-105.97	371.46	7.66	-98.31
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(C)C)=C1	REAL300000556940	0	45	-2.0	-110.73	391.81	6.50	-104.23
CC(C)OC1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000556941	0	41	-2.0	-108.60	372.20	6.50	-102.10
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000556941	1	40	-3.0	-178.42	369.76	6.50	-171.92
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000556942	1	45	-2.0	-110.28	385.60	7.83	-102.45
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000556943	0	38	-2.0	-98.83	344.37	5.08	-93.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)=C1	REAL300000556944	0	42	-2.0	-105.34	370.36	5.02	-100.32
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)=CC=C1OCC(=O)[O-]	REAL300000556945	1	45	-2.0	-91.20	392.48	6.90	-84.30
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(C)C)=C1	REAL300000556946	0	41	-2.0	-97.92	362.04	6.74	-91.18
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000556947	1	45	-2.0	-111.02	390.47	6.90	-104.12
CC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000556948	0	38	-2.0	-103.74	349.93	5.81	-97.93
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000556949	0	38	-2.0	-89.78	354.43	6.48	-83.30
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000556950	1	38	-2.0	-91.56	345.88	5.97	-85.59
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000556951	0	35	-2.0	-93.61	333.64	5.06	-88.55
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000556952	0	38	-2.0	-95.43	347.77	6.00	-89.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)=C1F	REAL300000556953	0	41	-2.0	-103.51	367.14	6.64	-96.87
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000556954	0	38	-2.0	-93.17	346.79	5.99	-87.18
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000556955	1	38	-2.0	-89.66	353.85	6.32	-83.34
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000556956	1	38	-2.0	-93.47	352.19	6.03	-87.44
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000556957	0	40	-2.0	-89.60	369.52	6.59	-83.01
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000556958	0	39	-2.0	-105.24	351.09	3.64	-101.60
CC(C)OC1=CC(F)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000556958	1	39	-2.0	-103.62	350.27	4.45	-99.17
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000556959	1	41	-2.0	-96.08	363.53	6.71	-89.37
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(C)C)=C1	REAL300000556960	1	41	-2.0	-102.63	351.92	6.59	-96.04
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)=CC(C(=O)[O-])=C1F	REAL300000556961	1	41	-2.0	-103.19	366.16	6.57	-96.62
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(C)C)=C1	REAL300000556962	1	41	-2.0	-94.20	356.75	6.69	-87.51
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)=CC(C(=O)[O-])=C1C	REAL300000556963	1	44	-2.0	-108.91	378.75	7.13	-101.78
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000556964	0	40	-2.0	-102.96	367.99	7.03	-95.93
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000556965	0	38	-2.0	-93.63	353.13	6.06	-87.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)C(C)=C1C(=O)[O-]	REAL300000556966	1	44	-2.0	-104.52	375.27	7.31	-97.21
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000556967	0	41	-2.0	-104.49	366.83	6.63	-97.86
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)=C1	REAL300000556968	0	41	-2.0	-110.92	366.37	6.61	-104.31
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000556969	1	44	-2.0	-106.29	376.09	7.15	-99.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)C=C1CC(=O)[O-]	REAL300000556970	1	45	-2.0	-106.34	391.80	6.04	-100.30
CCN1C=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000556971	0	42	-2.0	-104.03	369.34	6.14	-97.89
CC1=CC(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000556972	1	41	-2.0	-92.24	356.99	6.46	-85.78
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(C)C)=C1	REAL300000556973	1	41	-2.0	-105.10	360.87	6.76	-98.34
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000556974	0	40	-2.0	-113.52	365.08	7.77	-105.75
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000556975	0	38	-2.0	-107.93	345.03	5.96	-101.97
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000556976	1	41	-2.0	-97.02	366.49	6.61	-90.41
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000556977	0	37	-2.0	-102.04	337.55	4.06	-97.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(F)=CC(OC(C)C)=C1	REAL300000556978	0	42	-2.0	-98.16	369.54	5.72	-92.44
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000556979	0	35	-2.0	-92.46	341.52	4.90	-87.56
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000556980	1	45	-2.0	-98.94	387.47	7.82	-91.12
CC(C)OC1=CC(F)=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000556981	1	45	-2.0	-101.51	386.78	7.80	-93.71
CCC1=C(S(=O)(=O)[N-]C2=CC(F)=CC(OC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000556982	0	41	-2.0	-98.83	363.49	5.93	-92.90
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1	REAL300000556983	1	42	-2.0	-90.02	371.35	5.70	-84.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=CC=C1F	REAL300000556984	1	35	-2.0	-106.72	319.42	7.14	-99.58
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2)=C1	REAL300000556985	0	43	-2.0	-107.86	374.50	8.20	-99.66
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000556986	0	35	-2.0	-104.21	331.30	7.82	-96.39
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000556988	1	35	-2.0	-109.59	314.89	7.11	-102.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2)=C1	REAL300000556989	0	39	-2.0	-115.13	343.03	6.91	-108.22
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=CC=C1Br	REAL300000556990	1	35	-2.0	-104.77	331.13	7.60	-97.17
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1	REAL300000556991	1	39	-2.0	-96.13	346.34	8.41	-87.72
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000556993	0	35	-2.0	-104.92	327.95	7.67	-97.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=CC=C1Cl	REAL300000556994	1	35	-2.0	-105.19	327.39	7.50	-97.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C(Cl)C=C1Cl	REAL300000556995	0	35	-2.0	-100.43	340.46	8.06	-92.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1C	REAL300000556996	1	41	-2.0	-112.41	347.56	8.46	-103.95
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000556997	0	35	-2.0	-106.80	320.36	7.16	-99.64
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1	REAL300000556998	1	41	-2.0	-95.60	358.46	8.69	-86.91
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000556999	0	32	-2.0	-103.61	308.07	6.13	-97.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2)=C1	REAL300000557000	1	38	-2.0	-110.23	330.31	7.89	-102.34
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000557002	1	36	-2.0	-107.86	321.53	6.47	-101.39
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000557004	0	35	-2.0	-99.63	323.99	6.79	-92.84
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=CS1	REAL300000557006	0	32	-2.0	-105.05	306.54	6.14	-98.91
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=CC(C(=O)[O-])=C1OC	REAL300000557007	1	43	-2.0	-109.82	373.20	6.92	-102.90
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000557009	1	45	-2.0	-114.43	370.14	9.73	-104.70
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2)=C1	REAL300000557010	1	44	-2.0	-112.59	368.79	9.11	-103.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2)=C1	REAL300000557011	1	41	-2.0	-108.43	345.03	8.84	-99.59
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2)=C1	REAL300000557012	0	42	-2.0	-114.96	365.31	7.67	-107.29
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(C3CC3)=C2)=C1	REAL300000557013	0	38	-2.0	-109.85	350.00	7.53	-102.32
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000557013	1	37	-3.0	-185.28	343.29	7.68	-177.60
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000557014	1	42	-2.0	-114.69	359.13	9.01	-105.68
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C(C(=O)[O-])O1	REAL300000557015	0	35	-2.0	-102.94	317.90	6.25	-96.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=CC2=C1OCCO2	REAL300000557016	1	41	-2.0	-114.28	357.05	6.88	-107.40
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000557017	0	39	-2.0	-110.57	343.87	6.20	-104.37
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=CC(Cl)=C1Cl	REAL300000557019	1	35	-2.0	-98.83	342.57	7.95	-90.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C(Cl)C=C1F	REAL300000557020	0	35	-2.0	-101.37	332.48	7.69	-93.68
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1Cl	REAL300000557021	1	39	-2.0	-93.25	361.99	7.94	-85.31
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1F	REAL300000557023	1	45	-2.0	-93.90	394.63	8.36	-85.54
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2)=C1	REAL300000557024	1	38	-2.0	-100.57	335.59	7.93	-92.64
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1F	REAL300000557026	1	39	-2.0	-94.15	352.18	7.46	-86.69
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C(C(=O)[O-])S1	REAL300000557028	1	35	-2.0	-106.53	323.49	7.00	-99.53
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000557029	0	35	-2.0	-98.53	343.10	8.13	-90.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C(Cl)=C1	REAL300000557030	0	35	-2.0	-94.14	327.94	7.67	-86.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C(Br)=C1	REAL300000557031	1	35	-2.0	-93.50	331.29	7.81	-85.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1F	REAL300000557032	1	35	-2.0	-95.95	319.42	7.15	-88.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)S1	REAL300000557033	0	32	-2.0	-98.36	307.15	6.23	-92.13
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000557034	1	35	-2.0	-100.16	321.29	7.18	-92.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1F	REAL300000557035	0	38	-2.0	-108.24	340.65	7.81	-100.43
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000557036	0	39	-2.0	-98.70	355.20	7.73	-90.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C(F)=C1	REAL300000557037	0	35	-2.0	-96.20	320.35	7.18	-89.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1Cl	REAL300000557038	1	35	-2.0	-94.10	327.37	7.51	-86.59
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2)=C1	REAL300000557039	1	38	-2.0	-102.25	344.32	8.30	-93.95
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1	REAL300000557040	1	43	-2.0	-92.83	378.63	8.52	-84.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1Br	REAL300000557041	1	35	-2.0	-93.75	331.11	7.61	-86.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=CC(F)=C1F	REAL300000557042	1	35	-2.0	-98.09	325.71	7.20	-90.89
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000557043	1	37	-2.0	-94.18	343.07	7.78	-86.40
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000557044	0	36	-2.0	-109.08	324.60	4.82	-104.26
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C3CC3)=C2)=C1	REAL300000557044	1	36	-2.0	-104.31	313.61	5.71	-98.60
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1	REAL300000557045	1	38	-2.0	-101.33	337.06	7.89	-93.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=CC(Cl)=C1F	REAL300000557046	1	35	-2.0	-99.60	335.60	7.64	-91.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2)=C1	REAL300000557047	1	38	-2.0	-105.84	324.43	7.78	-98.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=CC(C(=O)[O-])=C1F	REAL300000557048	1	38	-2.0	-108.22	339.72	7.76	-100.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=CC=C1[N+](=O)[O-]	REAL300000557051	0	37	-2.0	-107.25	341.45	8.20	-99.05
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000557052	0	35	-2.0	-98.26	326.64	7.24	-91.02
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000557054	0	38	-2.0	-107.98	336.36	7.70	-100.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1Cl	REAL300000557055	0	38	-2.0	-106.79	346.63	8.25	-98.54
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000557056	0	38	-2.0	-114.64	339.92	7.80	-106.84
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2)=C1	REAL300000557059	1	38	-2.0	-98.78	341.14	8.29	-90.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1C(F)(F)F	REAL300000557060	1	38	-2.0	-93.10	345.00	7.92	-85.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000557061	1	38	-2.0	-107.08	346.10	8.07	-99.01
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000557062	1	35	-2.0	-102.13	336.17	7.72	-94.41
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000557063	1	39	-2.0	-109.20	342.90	7.33	-101.87
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C(F)C(Cl)=C1F	REAL300000557065	0	35	-2.0	-96.76	340.46	7.67	-89.09
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000557066	1	38	-2.0	-103.98	348.63	8.18	-95.80
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C(C(=O)[O-])S1	REAL300000557067	0	44	-2.0	-106.17	364.34	9.25	-96.92
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000557068	0	39	-2.0	-110.47	355.21	7.75	-102.72
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C([N+](=O)[O-])=C1	REAL300000557070	0	40	-2.0	-101.10	358.16	9.30	-91.80
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1[N+](=O)[O-]	REAL300000557072	0	37	-2.0	-116.88	338.61	8.97	-107.91
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1F	REAL300000557073	0	35	-2.0	-113.82	318.54	7.15	-106.67
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C1C(=O)[O-]	REAL300000557074	1	38	-2.0	-102.09	339.82	7.78	-94.31
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=CC2=CC=CC=C21	REAL300000557075	1	41	-2.0	-117.99	355.92	9.23	-108.76
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C1	REAL300000557076	0	34	-2.0	-106.52	311.87	5.17	-101.35
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2CC2)=C1	REAL300000557077	0	39	-2.0	-101.15	343.09	6.91	-94.24
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)=C(Cl)O1	REAL300000557078	0	32	-2.0	-96.73	315.04	6.09	-90.64
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4CC4)=C3)C=C2)CC1	REAL300000557079	1	42	-2.0	-103.35	361.01	8.99	-94.36
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4CC4)=C3)C=C2C1	REAL300000557080	1	42	-2.0	-107.31	360.35	8.99	-98.32
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3CC3)=C2)C=C(C(=O)[O-])O1	REAL300000557081	0	38	-2.0	-102.74	337.02	7.10	-95.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=CC=C1F	REAL300000557082	1	34	-2.0	-109.58	328.70	0.46	-109.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C1	REAL300000557083	1	34	-2.0	-99.87	324.16	0.44	-99.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=C1	REAL300000557084	1	34	-2.0	-111.96	324.17	0.43	-111.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CNS(=O)(=O)C2=C1	REAL300000557085	0	38	-2.0	-116.40	352.32	0.23	-116.17
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C1	REAL300000557086	1	38	-2.0	-99.14	355.63	1.72	-97.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000557087	1	37	-2.0	-113.11	340.19	0.97	-112.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=C1C	REAL300000557088	1	40	-2.0	-113.72	356.57	1.73	-111.99
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=C1	REAL300000557089	0	34	-2.0	-108.54	329.65	0.49	-108.05
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C1	REAL300000557090	1	40	-2.0	-98.61	367.75	2.01	-96.60
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=C1	REAL300000557091	0	31	-2.0	-106.35	317.35	-0.54	-106.89
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CNS(=O)(=O)C2=C1	REAL300000557092	1	37	-2.0	-111.89	339.61	1.22	-110.67
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C1	REAL300000557093	1	38	-2.0	-97.79	355.25	0.71	-97.08
CN1C=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000557094	0	35	-2.0	-110.38	330.82	-0.22	-110.60
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CNS(=O)(=O)C2=C1	REAL300000557095	1	38	-2.0	-112.42	347.95	-0.74	-113.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=C1	REAL300000557096	0	34	-2.0	-102.60	333.28	0.10	-102.50
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000557097	1	40	-2.0	-113.37	355.24	1.77	-111.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=CS1	REAL300000557098	0	31	-2.0	-107.79	315.82	-0.53	-108.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000557099	1	38	-2.0	-117.80	351.46	0.51	-117.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2CNS(=O)(=O)C2=C1	REAL300000557100	1	40	-2.0	-110.01	354.31	2.14	-107.87
CC1=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000557101	0	34	-2.0	-105.48	327.21	-0.43	-105.91
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=C1	REAL300000557102	0	38	-2.0	-113.30	353.16	-0.48	-113.78
CC1=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C(C(=O)[O-])S1	REAL300000557103	0	34	-2.0	-108.36	333.87	0.31	-108.05
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C1F	REAL300000557104	1	34	-2.0	-99.45	328.71	0.46	-98.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)S1	REAL300000557105	0	31	-2.0	-101.51	316.43	-0.46	-101.97
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=C1	REAL300000557106	1	34	-2.0	-102.92	330.58	0.50	-102.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C(F)=C1	REAL300000557107	0	34	-2.0	-99.42	329.64	0.50	-98.92
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=C1	REAL300000557108	0	35	-2.0	-110.53	333.89	-1.86	-112.39
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C3CNS(=O)(=O)C3=C2)=C1	REAL300000557108	1	35	-2.0	-109.84	322.87	-0.97	-110.81
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C1	REAL300000557109	1	37	-2.0	-104.65	346.35	1.21	-103.44
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2CNS(=O)(=O)C2=C1	REAL300000557110	1	37	-2.0	-108.88	334.21	1.06	-107.82
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CNS(=O)(=O)C2=C1	REAL300000557111	1	37	-2.0	-99.85	339.59	1.20	-98.65
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=CC(C(=O)[O-])=C1C	REAL300000557112	1	40	-2.0	-116.25	361.67	1.61	-114.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C(C)=C1C(=O)[O-]	REAL300000557113	1	40	-2.0	-113.41	357.56	1.84	-111.57
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000557114	1	40	-2.0	-113.79	358.11	1.61	-112.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C1C(=O)[O-]	REAL300000557115	0	38	-2.0	-111.67	352.19	0.64	-111.03
CC1=CC(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300000557116	1	37	-2.0	-99.97	340.18	0.97	-99.00
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=C1F	REAL300000557117	0	34	-2.0	-116.92	327.84	0.47	-116.45
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=C1	REAL300000557118	0	33	-2.0	-109.68	320.39	-1.44	-111.12
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2CNS(=O)(=O)C2=C1	REAL300000557119	0	38	-2.0	-103.80	352.38	0.23	-103.57
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)=C(Cl)O1	REAL300000557120	0	31	-2.0	-99.65	324.32	-0.60	-100.25
CCC1=C(S(=O)(=O)[N-]C2=CC=C3CNS(=O)(=O)C3=C2)C=C(C(=O)[O-])O1	REAL300000557121	0	37	-2.0	-105.10	346.31	0.42	-104.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2C=C(C#N)C=N2)C=C1	REAL300000557125	0	40	-2.0	-108.03	373.40	6.47	-101.56
N#CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)N=C1	REAL300000557129	0	36	-2.0	-100.02	350.71	6.73	-93.29
N#CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)N=C1	REAL300000557131	0	33	-2.0	-97.66	338.41	5.69	-91.97
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=C(C#N)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000557134	1	37	-2.0	-101.57	351.88	6.03	-95.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3C=C(C#N)C=N3)C=C2)=C1	REAL300000557136	0	36	-2.0	-94.09	354.36	6.35	-87.74
N#CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)N=C1	REAL300000557138	1	33	-2.0	-99.03	336.88	5.71	-93.32
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=C(C#N)C=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000557141	0	36	-2.0	-97.65	348.27	5.81	-91.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3C=C(C#N)C=N3)C=C2)=C1	REAL300000557142	0	40	-2.0	-104.13	374.21	5.76	-98.37
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=C(C#N)C=N3)C=C2)C=C(C(=O)[O-])S1	REAL300000557143	1	36	-2.0	-100.64	353.84	6.56	-94.08
N#CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)N=C1	REAL300000557145	0	33	-2.0	-92.92	337.49	5.79	-87.13
N#CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)N=C1	REAL300000557146	1	36	-2.0	-94.23	351.64	6.74	-87.49
N#CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)N=C1	REAL300000557147	0	36	-2.0	-90.54	350.70	6.74	-83.80
N#CC1=CN(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)N=C1	REAL300000557148	0	37	-2.0	-104.50	354.14	5.18	-99.32
N#CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)N=C1	REAL300000557148	1	37	-2.0	-102.86	354.94	4.39	-98.47
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3C=C(C#N)C=N3)C=C2)C=C1C(=O)[O-]	REAL300000557155	1	40	-2.0	-102.78	373.25	6.89	-95.89
N#CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)N=C1	REAL300000557157	0	36	-2.0	-106.99	348.89	6.70	-100.29
N#CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)N=C1	REAL300000557158	0	35	-2.0	-100.58	341.44	4.79	-95.79
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2C=C(C#N)C=N2)C=C1	REAL300000557159	1	40	-2.0	-95.17	373.44	6.47	-88.70
N#CC1=CN(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)N=C1	REAL300000557160	0	33	-2.0	-91.60	345.37	5.65	-85.95
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3C=C(C#N)C=N3)C=C2)C=C(C(=O)[O-])O1	REAL300000557161	0	39	-2.0	-97.40	367.36	6.67	-90.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(NS(=O)(=O)C3CC3)=C2)C=C1	REAL300000557162	1	40	-2.0	-94.81	369.93	3.52	-91.29
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(NS(=O)(=O)C3CC3)=C2)=C1	REAL300000557163	1	40	-2.0	-106.19	369.96	3.51	-102.68
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(NS(=O)(=O)C3CC3)=C2)C=C1C(=O)[O-]	REAL300000557164	0	41	-2.0	-104.90	376.59	2.86	-102.04
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(NS(=O)(=O)C3CC3)=C2)=C1	REAL300000557165	0	39	-2.0	-103.95	366.20	1.63	-102.32
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300000557166	0	38	-2.0	-95.28	363.51	3.14	-92.14
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000557167	0	31	-2.0	-106.25	312.34	4.64	-101.61
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1C	REAL300000557168	0	39	-2.0	-107.87	367.41	5.73	-102.14
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000557169	0	31	-2.0	-101.38	307.02	4.56	-96.82
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000557170	0	31	-2.0	-108.78	307.80	4.61	-104.17
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1C	REAL300000557171	0	35	-2.0	-114.47	335.93	4.42	-110.05
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000557172	0	35	-2.0	-101.33	338.50	5.85	-95.48
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000557173	0	34	-2.0	-109.90	323.81	5.14	-104.76
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000557174	0	31	-2.0	-104.59	320.87	5.17	-99.42
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000557175	0	31	-2.0	-104.66	320.32	5.00	-99.66
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000557176	0	37	-2.0	-118.26	339.70	5.91	-112.35
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000557177	0	31	-2.0	-106.16	313.28	4.67	-101.49
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000557178	0	37	-2.0	-100.57	350.62	6.14	-94.43
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000557179	0	28	-2.0	-108.85	300.23	3.58	-105.27
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000557180	0	34	-2.0	-109.96	323.23	5.39	-104.57
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000557181	0	35	-2.0	-99.94	338.12	4.83	-95.11
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000557182	0	32	-2.0	-107.12	314.45	3.95	-103.17
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000557183	0	35	-2.0	-110.63	331.59	3.45	-107.18
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000557184	0	31	-2.0	-103.99	316.16	4.23	-99.76
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000557185	0	37	-2.0	-117.48	338.49	5.87	-111.61
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000557186	0	28	-2.0	-104.60	299.46	3.63	-100.97
COC1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2C)=CC(C(=O)[O-])=C1OC	REAL300000557187	0	39	-2.0	-109.11	366.11	4.42	-104.69
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2C)C=C1C(=O)[O-]	REAL300000557188	0	35	-2.0	-114.64	335.09	4.68	-109.96
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000557189	0	41	-2.0	-120.07	362.28	7.18	-112.89
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000557190	0	40	-2.0	-112.17	361.70	6.62	-105.55
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1C	REAL300000557191	0	37	-2.0	-108.41	337.92	6.33	-102.08
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1C	REAL300000557192	0	38	-2.0	-114.28	358.21	5.19	-109.09
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000557193	0	33	-3.0	-182.82	336.20	5.17	-177.65
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000557194	0	38	-2.0	-120.33	351.29	6.44	-113.89
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000557195	0	31	-2.0	-102.91	310.80	3.75	-99.16
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300000557196	0	37	-2.0	-113.50	349.97	4.38	-109.12
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000557197	0	35	-2.0	-114.15	336.02	3.63	-110.52
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000557198	0	39	-2.0	-96.26	361.43	5.23	-91.03
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000557199	0	31	-2.0	-101.35	325.40	5.19	-96.16
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000557200	0	35	-2.0	-93.53	354.92	5.43	-88.10
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000557201	0	38	-2.0	-95.40	358.96	5.60	-89.80
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000557202	0	34	-2.0	-106.30	327.75	5.37	-100.93
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000557203	0	35	-2.0	-94.49	345.11	4.96	-89.53
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2C)C=C1C(=O)[O-]	REAL300000557204	0	38	-2.0	-115.31	356.95	5.59	-109.72
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000557205	0	31	-2.0	-112.10	316.73	4.44	-107.66
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000557206	0	31	-2.0	-98.75	320.08	5.09	-93.66
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000557207	0	31	-2.0	-95.89	312.33	4.65	-91.24
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000557208	0	28	-2.0	-98.07	300.06	3.74	-94.33
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000557209	0	31	-2.0	-99.64	314.20	4.68	-94.96
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000557210	0	34	-2.0	-113.49	332.80	5.26	-108.23
COC1=CC(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2C)=C(Cl)C=C1C(=O)[O-]	REAL300000557211	0	35	-2.0	-98.46	348.11	5.23	-93.23
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000557212	0	31	-2.0	-100.55	312.50	4.61	-95.94
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000557213	0	31	-2.0	-93.91	320.30	5.01	-88.90
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000557214	0	34	-2.0	-108.12	336.48	5.76	-102.36
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300000557215	0	39	-2.0	-98.01	370.78	5.96	-92.05
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000557216	0	31	-2.0	-97.87	318.63	4.70	-93.17
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000557217	0	33	-2.0	-93.86	335.99	5.28	-88.58
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000557218	0	32	-2.0	-108.94	317.51	2.33	-106.61
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000557219	0	34	-2.0	-105.58	329.22	5.34	-100.24
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000557220	0	31	-2.0	-99.25	328.51	5.14	-94.11
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000557221	0	34	-2.0	-104.57	317.87	5.25	-99.32
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000557222	0	34	-2.0	-107.59	332.63	5.26	-102.33
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000557223	0	34	-2.0	-101.69	322.45	5.31	-96.38
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000557224	0	37	-2.0	-113.09	344.62	5.78	-107.31
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000557225	0	33	-2.0	-107.13	334.36	5.70	-101.43
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000557226	0	31	-2.0	-103.36	318.79	4.68	-98.68
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000557227	0	37	-2.0	-108.82	342.28	6.00	-102.82
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000557228	0	34	-2.0	-108.46	333.11	5.31	-103.15
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300000557229	0	34	-2.0	-112.27	338.80	5.68	-106.59
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000557230	0	34	-2.0	-117.60	332.07	5.24	-112.36
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2C)C=C1C(=O)[O-]	REAL300000557231	0	37	-2.0	-110.60	342.12	5.80	-104.80
COC1=CC=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2C)C=C1CC(=O)[O-]	REAL300000557232	0	38	-2.0	-110.67	358.27	4.74	-105.93
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000557233	0	34	-2.0	-102.66	333.30	5.74	-96.92
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300000557234	0	34	-2.0	-92.93	337.91	5.42	-87.51
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300000557235	0	34	-2.0	-106.36	339.02	5.57	-100.79
CCN1C=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2C)C=C1C(=O)[O-]	REAL300000557236	0	35	-2.0	-108.46	335.75	4.82	-103.64
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300000557237	0	43	-2.0	-113.44	372.19	7.43	-106.01
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000557238	0	34	-2.0	-102.12	337.66	5.58	-96.54
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300000557239	0	40	-2.0	-106.06	357.24	6.69	-99.37
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2C)C=C1C(=O)[O-]	REAL300000557240	0	35	-2.0	-110.19	348.12	5.23	-104.96
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000557241	0	34	-2.0	-96.48	323.80	5.15	-91.33
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000557242	0	36	-2.0	-105.87	350.30	6.74	-99.13
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000557243	0	34	-2.0	-107.68	327.33	5.45	-102.23
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000557244	0	33	-2.0	-115.29	331.55	6.47	-108.82
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000557245	0	31	-2.0	-112.32	311.46	4.64	-107.68
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000557246	0	34	-2.0	-100.43	328.96	5.18	-95.25
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000557247	0	37	-2.0	-116.91	348.84	6.73	-110.18
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000557248	0	30	-2.0	-106.38	304.03	2.73	-103.65
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(C(F)F)C=C1C	REAL300000557249	0	35	-2.0	-105.72	335.23	4.35	-101.37
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000557250	0	28	-2.0	-96.76	307.90	3.57	-93.19
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000557251	0	38	-2.0	-108.67	353.16	6.44	-102.23
CC1=CN(C(F)F)N=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000557252	0	38	-2.0	-106.20	353.24	6.50	-99.70
CCC1=C(S(=O)(=O)[N-]C2=NN(C(F)F)C=C2C)C=C(C(=O)[O-])O1	REAL300000557253	0	34	-2.0	-102.70	329.92	4.60	-98.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=CC=C1F	REAL300000557254	0	34	-2.0	-101.49	333.81	4.34	-97.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1	REAL300000557255	0	34	-2.0	-92.05	329.26	4.33	-87.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C1	REAL300000557256	0	34	-2.0	-103.62	329.28	4.31	-99.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=NC(F)=C2)N=C1	REAL300000557257	0	38	-2.0	-109.30	357.42	4.12	-105.18
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1	REAL300000557258	0	38	-2.0	-91.82	360.73	5.62	-86.20
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1C(=O)[O-]	REAL300000557259	0	37	-2.0	-104.52	345.30	4.85	-99.67
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C1	REAL300000557260	0	34	-2.0	-99.91	342.35	4.90	-95.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=CC=C1Cl	REAL300000557261	0	34	-2.0	-99.69	341.79	4.71	-94.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C1C	REAL300000557262	0	40	-2.0	-107.40	361.94	5.67	-101.73
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C1	REAL300000557263	0	34	-2.0	-101.12	334.76	4.38	-96.74
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1	REAL300000557264	0	40	-2.0	-91.12	372.85	5.90	-85.22
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C1	REAL300000557265	0	31	-2.0	-98.24	322.46	3.35	-94.89
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=NC(F)=C2)N=C1	REAL300000557266	0	37	-2.0	-105.43	344.71	5.11	-100.32
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1	REAL300000557267	0	38	-2.0	-90.47	360.35	4.60	-85.87
CN1C=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1C(=O)[O-]	REAL300000557268	0	35	-2.0	-102.14	335.93	3.68	-98.46
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=NC(F)=C2)N=C1	REAL300000557269	0	38	-2.0	-105.84	353.49	3.14	-102.70
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C1	REAL300000557270	0	34	-2.0	-94.54	338.40	4.00	-90.54
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1C(=O)[O-]	REAL300000557271	0	40	-2.0	-106.72	360.35	5.66	-101.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=CS1	REAL300000557272	0	31	-2.0	-99.56	320.93	3.36	-96.20
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1C(=O)[O-]	REAL300000557273	0	38	-2.0	-109.41	356.57	4.39	-105.02
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=NC(F)=C2)N=C1	REAL300000557274	0	40	-2.0	-104.13	359.45	6.04	-98.09
CC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000557275	0	34	-2.0	-98.64	332.29	3.47	-95.17
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C1	REAL300000557276	0	38	-2.0	-104.47	358.27	3.41	-101.06
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=NC(F)=C2)N=C1	REAL300000557277	0	37	-2.0	-96.22	349.99	5.14	-91.08
CC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C(C(=O)[O-])S1	REAL300000557278	0	34	-2.0	-101.86	338.98	4.21	-97.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C(Cl)=C1	REAL300000557279	0	34	-2.0	-89.60	342.33	4.88	-84.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1F	REAL300000557280	0	34	-2.0	-91.71	333.81	4.36	-87.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)S1	REAL300000557281	0	31	-2.0	-93.46	321.55	3.44	-90.02
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C1	REAL300000557282	0	34	-2.0	-94.84	335.69	4.38	-90.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C1F	REAL300000557283	0	37	-2.0	-102.45	355.05	5.02	-97.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C(F)=C1	REAL300000557284	0	34	-2.0	-91.04	334.74	4.39	-86.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1Cl	REAL300000557285	0	34	-2.0	-89.67	341.78	4.73	-84.94
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=CC(F)=C1F	REAL300000557286	0	34	-2.0	-93.42	340.10	4.42	-89.00
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C1	REAL300000557287	0	35	-2.0	-104.63	339.00	2.04	-102.59
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1	REAL300000557288	0	37	-2.0	-95.54	351.45	5.10	-90.44
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=NC(F)=C2)N=C1	REAL300000557289	0	37	-2.0	-99.28	339.32	4.96	-94.32
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000557290	0	37	-2.0	-102.75	354.11	4.97	-97.78
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=NC(F)=C2)N=C1	REAL300000557291	0	37	-2.0	-92.49	344.69	5.09	-87.40
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000557292	0	40	-2.0	-107.63	366.08	5.49	-102.14
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C1	REAL300000557293	0	34	-2.0	-92.95	341.04	4.44	-88.51
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C(C)=C1C(=O)[O-]	REAL300000557294	0	40	-2.0	-103.38	363.76	5.69	-97.69
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1C(=O)[O-]	REAL300000557295	0	37	-2.0	-103.37	354.59	5.02	-98.35
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C1	REAL300000557296	0	37	-2.0	-107.27	354.32	5.00	-102.27
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1C(=O)[O-]	REAL300000557297	0	40	-2.0	-105.20	363.24	5.50	-99.70
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1C(=O)[O-]	REAL300000557298	0	38	-2.0	-103.34	357.30	4.54	-98.80
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=CC=C1C(=O)[O-]	REAL300000557299	0	37	-2.0	-93.51	349.35	4.96	-88.55
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=CC=NC(F)=C2)N=C1	REAL300000557300	0	37	-2.0	-103.46	348.82	5.15	-98.31
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C1F	REAL300000557301	0	34	-2.0	-106.55	332.94	4.35	-102.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C1C(=O)[O-]	REAL300000557302	0	37	-2.0	-96.33	354.22	4.99	-91.34
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C1	REAL300000557303	0	33	-2.0	-101.03	325.50	2.45	-98.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=CC=NC(F)=C2)N=C1	REAL300000557304	0	38	-2.0	-95.87	357.48	4.12	-91.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)=C(Cl)O1	REAL300000557305	0	31	-2.0	-92.40	329.43	3.30	-89.10
CCC1=C(S(=O)(=O)[N-]C2=CN(C3=CC=NC(F)=C3)N=C2)C=C(C(=O)[O-])O1	REAL300000557306	0	37	-2.0	-98.72	351.41	4.32	-94.40
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557307	1	42	-2.0	-104.62	372.88	5.49	-99.13
CCOC1=CC(OCC)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000557308	1	42	-2.0	-94.56	368.34	5.47	-89.09
CCOC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557309	1	42	-2.0	-107.24	368.35	5.46	-101.78
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=CC(OCC)=C1	REAL300000557310	0	46	-2.0	-112.77	396.49	5.26	-107.51
CCOC1=CC(OCC)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000557311	1	46	-2.0	-94.43	399.81	6.76	-87.67
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557312	1	45	-2.0	-108.43	384.36	6.00	-102.43
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC(OCC)=C1	REAL300000557313	0	42	-2.0	-102.89	381.42	6.04	-96.85
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557314	1	42	-2.0	-103.01	380.85	5.86	-97.15
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=CC(OCC)=C1	REAL300000557315	1	48	-2.0	-110.36	401.02	6.81	-103.55
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC(OCC)=C1	REAL300000557316	0	42	-2.0	-104.37	373.82	5.54	-98.83
CCOC1=CC(OCC)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000557317	1	48	-2.0	-93.82	411.92	7.05	-86.77
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC(OCC)=C1	REAL300000557318	0	39	-2.0	-101.35	361.53	4.48	-96.87
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC(OCC)=C1	REAL300000557319	1	45	-2.0	-108.11	383.78	6.26	-101.85
CCOC1=CC(OCC)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000557320	1	46	-2.0	-93.11	399.43	5.76	-87.35
CCOC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557321	0	43	-2.0	-105.57	375.00	4.82	-100.75
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=CC(OCC)=C1	REAL300000557322	1	46	-2.0	-108.52	392.55	4.28	-104.24
CCOC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=CC(OCC)=C1	REAL300000557323	0	42	-2.0	-97.43	377.46	5.14	-92.29
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=CC(OCC)=C1	REAL300000557324	1	48	-2.0	-109.79	399.42	6.81	-102.98
CCOC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557325	0	39	-2.0	-102.90	360.00	4.50	-98.40
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557326	1	46	-2.0	-113.06	395.64	5.53	-107.53
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=CC(OCC)=C1	REAL300000557327	1	48	-2.0	-106.71	398.52	7.18	-99.53
CCOC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557328	0	42	-2.0	-100.81	373.19	4.57	-96.24
CCOC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=CC(OCC)=C1	REAL300000557329	0	46	-2.0	-108.44	397.27	4.55	-103.89
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=CC(OCC)=C1	REAL300000557330	1	45	-2.0	-98.65	389.06	6.28	-92.37
CCOC1=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557331	0	42	-2.0	-104.40	378.04	5.35	-99.05
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC(OCC)=C1	REAL300000557332	0	42	-2.0	-92.26	381.40	6.02	-86.24
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC(OCC)=C1	REAL300000557333	1	42	-2.0	-94.03	372.87	5.50	-88.53
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC(OCC)=C1	REAL300000557334	0	39	-2.0	-96.21	360.62	4.59	-91.62
CCOC1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557335	0	42	-2.0	-97.94	374.75	5.53	-92.41
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=CC(OCC)=C1	REAL300000557336	0	45	-2.0	-105.83	394.12	6.18	-99.65
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC(OCC)=C1	REAL300000557337	0	42	-2.0	-93.98	373.80	5.54	-88.44
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(OCC)=C1	REAL300000557338	1	42	-2.0	-92.13	380.84	5.87	-86.26
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC(OCC)=C1	REAL300000557339	0	43	-2.0	-107.17	378.07	3.17	-104.00
CCOC1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC(OCC)=C1	REAL300000557339	1	43	-2.0	-110.43	377.18	4.03	-106.40
CCOC1=CC(OCC)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000557340	1	45	-2.0	-98.94	390.53	6.24	-92.70
CCOC1=CC(OCC)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000557341	1	45	-2.0	-103.43	378.38	6.11	-97.32
CCOC1=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557342	1	45	-2.0	-105.93	393.18	6.12	-99.81
CCOC1=CC(OCC)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000557343	1	45	-2.0	-94.86	383.76	6.25	-88.61
CCOC1=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557344	1	48	-2.0	-111.70	405.17	6.63	-105.07
CCOC1=CC(OCC)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000557345	1	48	-2.0	-107.84	401.73	6.87	-100.97
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=CC(OCC)=C1	REAL300000557346	0	45	-2.0	-106.72	393.66	6.16	-100.56
CCOC1=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=CC(OCC)=C1	REAL300000557347	0	45	-2.0	-112.09	393.38	6.16	-105.93
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557348	1	48	-2.0	-109.12	402.31	6.65	-102.47
CCOC1=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557349	0	46	-2.0	-106.87	396.37	5.68	-101.19
CCOC1=CC(OCC)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000557350	1	45	-2.0	-96.20	388.42	6.11	-90.09
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=CC(OCC)=C1	REAL300000557351	1	45	-2.0	-105.76	387.88	6.30	-99.46
CCOC1=CC(OCC)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000557352	0	42	-2.0	-111.32	372.01	5.50	-105.82
CCOC1=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557353	1	45	-2.0	-99.81	393.29	6.14	-93.67
CCOC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC(OCC)=C1	REAL300000557354	0	41	-2.0	-104.79	364.57	3.60	-101.19
CCOC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=CC(OCC)=C1	REAL300000557355	0	46	-2.0	-98.97	396.54	5.27	-93.70
CCOC1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557356	0	39	-2.0	-94.80	368.49	4.44	-90.36
CCOC1=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=CC(OCC)=C1	REAL300000557357	0	45	-2.0	-100.93	390.48	5.45	-95.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)=CC=C1F	REAL300000557358	1	38	-2.0	-116.38	351.48	3.57	-112.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)C=C1	REAL300000557359	1	38	-2.0	-106.52	346.93	3.56	-102.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)=C1	REAL300000557360	1	38	-2.0	-119.30	346.95	3.54	-115.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)C=C1C(=O)[O-]	REAL300000557361	1	41	-2.0	-121.09	362.95	4.07	-117.02
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)=C1	REAL300000557362	0	38	-2.0	-117.31	352.42	3.60	-113.71
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)=C1	REAL300000557363	0	35	-2.0	-113.37	340.13	2.55	-110.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300000557364	1	41	-2.0	-121.09	362.37	4.31	-116.78
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)C=C1C(=O)[O-]	REAL300000557365	0	39	-2.0	-117.49	353.59	2.90	-114.59
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)=CS1	REAL300000557366	0	35	-2.0	-114.86	338.60	2.57	-112.29
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)C=C(C(=O)[O-])O1	REAL300000557367	0	38	-2.0	-113.35	349.95	2.68	-110.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)C=C1F	REAL300000557368	1	38	-2.0	-105.93	351.47	3.59	-102.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)S1	REAL300000557369	0	35	-2.0	-108.33	339.21	2.66	-105.67
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)=C1	REAL300000557370	0	38	-2.0	-109.91	353.35	3.62	-106.29
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)C(F)=C1	REAL300000557371	0	38	-2.0	-105.97	352.40	3.61	-102.36
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)=C1	REAL300000557372	0	39	-2.0	-120.33	356.66	1.24	-119.09
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)C=C1	REAL300000557373	1	41	-2.0	-110.97	369.12	4.33	-106.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300000557374	1	41	-2.0	-115.18	356.98	4.19	-110.99
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300000557375	1	41	-2.0	-106.82	362.35	4.30	-102.52
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)C=C1C(=O)[O-]	REAL300000557376	0	42	-2.0	-118.77	374.96	3.76	-115.01
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)=CC=C1C(=O)[O-]	REAL300000557377	1	41	-2.0	-106.75	362.95	4.09	-102.66
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)=C1F	REAL300000557378	0	38	-2.0	-123.11	350.56	3.58	-119.53
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)=C1	REAL300000557379	0	37	-2.0	-117.60	343.93	1.61	-115.99
CCC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)CCCS3(=O)=O)C=C(C(=O)[O-])O1	REAL300000557380	0	41	-2.0	-113.33	369.07	3.54	-109.79
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)=CC=C1F	REAL300000557381	1	35	-2.0	-102.53	340.67	7.35	-95.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)C=C1	REAL300000557382	1	35	-2.0	-92.84	336.13	7.33	-85.51
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)=C1	REAL300000557383	1	35	-2.0	-105.10	336.13	7.32	-97.78
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)C=C1	REAL300000557384	1	39	-2.0	-92.24	367.60	8.61	-83.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000557385	1	38	-2.0	-106.17	352.15	7.85	-98.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)=C1C	REAL300000557386	1	41	-2.0	-108.02	368.81	8.67	-99.35
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)=C1	REAL300000557387	0	35	-2.0	-102.29	341.61	7.38	-94.91
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)C=C1	REAL300000557388	1	41	-2.0	-91.43	379.72	8.90	-82.53
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)=C1	REAL300000557389	0	32	-2.0	-99.40	329.31	6.33	-93.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(F)(F)F)=C1	REAL300000557390	1	38	-2.0	-105.94	351.56	8.11	-97.83
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000557391	0	36	-2.0	-103.49	342.78	6.67	-96.82
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)=C1	REAL300000557392	0	35	-2.0	-95.68	345.24	6.99	-88.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)=CS1	REAL300000557394	0	32	-2.0	-100.83	327.78	6.35	-94.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(F)(F)F)=C1	REAL300000557395	1	41	-2.0	-104.26	366.30	9.04	-95.22
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000557396	0	35	-2.0	-99.09	339.17	6.46	-92.63
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000557397	1	35	-2.0	-102.27	345.82	7.21	-95.06
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)C=C1F	REAL300000557398	1	35	-2.0	-92.32	340.66	7.36	-84.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)S1	REAL300000557399	0	32	-2.0	-94.45	328.40	6.44	-88.01
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)=C1	REAL300000557400	1	35	-2.0	-96.00	342.54	7.38	-88.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)C(F)=C1	REAL300000557401	0	35	-2.0	-92.17	341.59	7.39	-84.78
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)=C1	REAL300000557402	0	36	-2.0	-104.73	345.83	5.03	-99.70
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(C=CC(F)(F)F)=C2)=C1	REAL300000557402	1	36	-2.0	-103.52	344.95	5.90	-97.62
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)C=C1	REAL300000557403	1	38	-2.0	-96.09	358.32	8.09	-88.00
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C=CC(F)(F)F)=C1	REAL300000557404	1	38	-2.0	-101.34	346.20	7.95	-93.39
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000557406	1	41	-2.0	-108.12	369.02	8.39	-99.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000557408	1	41	-2.0	-106.88	370.41	8.50	-98.38
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300000557409	0	39	-2.0	-104.75	364.26	7.53	-97.22
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300000557410	1	38	-2.0	-92.90	352.14	7.86	-85.04
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)=C1F	REAL300000557411	0	35	-2.0	-109.27	339.79	7.35	-101.92
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)=C1	REAL300000557412	0	34	-2.0	-102.12	333.12	5.37	-96.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)=C(Cl)O1	REAL300000557413	0	32	-2.0	-92.92	336.28	6.29	-86.63
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C=CC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000557414	0	38	-2.0	-98.94	358.26	7.30	-91.64
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(F)C=C(C(F)(F)F)C=C2F)=C1	REAL300000557429	0	32	-2.0	-104.37	314.24	3.97	-100.40
CC(C)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000557447	1	37	-2.0	-105.98	347.31	7.55	-98.43
CC(C)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000557449	1	34	-2.0	-103.09	335.03	6.50	-96.59
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2Cl)=C1	REAL300000557454	1	37	-2.0	-99.20	350.95	7.17	-92.03
CC(C)C1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000557461	0	40	-2.0	-107.59	369.03	7.95	-99.64
CC(C)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000557471	1	34	-2.0	-97.91	334.10	6.61	-91.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2Cl)=C1F	REAL300000557473	1	40	-2.0	-107.49	367.59	8.18	-99.31
CC(C)C1=CC=C(Cl)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000557478	0	38	-2.0	-106.70	349.09	6.04	-100.66
CC(C)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000557485	1	37	-2.0	-97.64	353.57	7.61	-90.03
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC(C(C)C)=CC=C2Cl)=C1	REAL300000557488	1	40	-2.0	-113.79	366.89	8.17	-105.62
CC(C)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000557494	1	39	-2.0	-115.72	365.57	9.33	-106.39
CC(C)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000557495	1	37	-2.0	-112.89	345.47	7.51	-105.38
CC(C)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000557497	0	36	-2.0	-105.74	338.81	5.54	-100.20
CC(C)C1=CC=C(Cl)C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000557499	1	34	-2.0	-96.49	341.94	6.45	-90.04
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000557504	1	40	-2.0	-101.23	358.68	7.74	-93.49
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C(F)(F)F	REAL300000557505	0	37	-2.0	-95.65	351.86	6.75	-88.90
CC(C)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000557506	1	41	-2.0	-99.76	365.32	7.09	-92.67
CC(C)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000557507	0	37	-2.0	-97.06	350.33	6.77	-90.29
CC1=C(S(=O)(=O)[N-]C2=CC=C(C(F)(F)F)C(C(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000557508	0	40	-2.0	-95.59	361.68	6.87	-88.72
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C(F)(F)F	REAL300000557509	0	37	-2.0	-90.73	350.95	6.87	-83.86
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C(F)(F)F	REAL300000557510	0	39	-2.0	-98.82	354.90	5.86	-92.96
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1	REAL300000557511	0	39	-2.0	-90.95	353.01	0.33	-90.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC=C1F	REAL300000557512	1	32	-2.0	-106.55	301.08	1.78	-104.77
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCCC2=C1	REAL300000557513	0	40	-2.0	-108.73	356.17	2.84	-105.89
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557514	0	32	-2.0	-104.67	312.97	2.47	-102.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1	REAL300000557515	1	32	-2.0	-96.81	296.54	1.76	-95.05
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557516	0	32	-2.0	-108.96	296.55	1.75	-107.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCCC2=C1	REAL300000557517	0	36	-2.0	-115.07	324.69	1.56	-113.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC=C1Br	REAL300000557518	0	32	-2.0	-104.38	312.79	2.24	-102.14
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1	REAL300000557519	1	36	-2.0	-96.83	328.00	3.04	-93.79
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000557520	1	35	-2.0	-110.08	312.56	2.28	-107.80
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557521	0	32	-2.0	-105.33	309.62	2.32	-103.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC=C1Cl	REAL300000557522	0	32	-2.0	-104.83	309.06	2.14	-102.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C(Cl)C=C1Cl	REAL300000557523	0	32	-2.0	-100.95	322.12	2.70	-98.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1C	REAL300000557524	1	38	-2.0	-112.82	328.94	3.07	-109.75
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557525	0	32	-2.0	-106.70	302.02	1.81	-104.89
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1	REAL300000557526	0	38	-2.0	-96.19	340.11	3.34	-92.85
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557527	0	29	-2.0	-103.22	289.73	0.77	-102.45
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCCC2=C1	REAL300000557528	1	35	-2.0	-110.79	311.98	2.54	-108.25
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1	REAL300000557529	1	36	-2.0	-95.51	327.62	2.03	-93.48
CN1C=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000557530	0	33	-2.0	-107.50	303.20	1.11	-106.39
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCCC2=C1	REAL300000557531	1	36	-2.0	-111.08	320.75	0.57	-110.51
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557532	0	32	-2.0	-99.47	305.66	1.43	-98.04
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000557533	1	38	-2.0	-112.53	327.62	3.10	-109.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CS1	REAL300000557534	0	29	-2.0	-104.92	288.20	0.79	-104.13
COC1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC(C(=O)[O-])=C1OC	REAL300000557535	1	40	-2.0	-109.14	354.88	1.57	-107.57
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000557536	1	36	-2.0	-115.01	323.84	1.82	-113.19
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557537	1	42	-2.0	-114.42	351.80	4.38	-110.04
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCCC2=C1	REAL300000557538	1	41	-2.0	-113.20	350.45	3.77	-109.43
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCCC2=C1	REAL300000557539	1	38	-2.0	-109.49	326.70	3.48	-106.01
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCCC2=C1	REAL300000557540	0	39	-2.0	-114.82	346.98	2.31	-112.51
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557541	0	34	-3.0	-182.55	324.95	2.31	-180.24
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CN=C3OCCC3=C2)=C1	REAL300000557541	1	35	-2.0	-113.28	327.36	2.32	-110.96
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557542	1	39	-2.0	-115.02	340.80	3.65	-111.37
CC1=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C(C(=O)[O-])O1	REAL300000557543	0	32	-2.0	-103.53	299.56	0.90	-102.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC2=C1OCCO2	REAL300000557544	1	38	-2.0	-113.76	338.73	1.52	-112.24
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557545	0	36	-2.0	-109.83	325.53	0.85	-108.98
O=C([O-])C1COC2=CC=C(S(=O)(=O)[N-]C3=CN=C4OCCC4=C3)C=C2C1	REAL300000557546	1	40	-2.0	-96.73	350.18	2.37	-94.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC(Cl)=C1Cl	REAL300000557547	0	32	-2.0	-98.65	324.22	2.60	-96.05
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C(Cl)C=C1F	REAL300000557548	0	32	-2.0	-102.25	314.14	2.34	-99.91
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1Cl	REAL300000557549	1	36	-2.0	-94.00	343.65	2.57	-91.43
CC1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC=C1OCC(=O)[O-]	REAL300000557550	1	39	-2.0	-95.88	347.70	2.74	-93.14
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1F	REAL300000557551	0	42	-2.0	-95.04	376.30	3.00	-92.04
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCCC2=C1	REAL300000557552	0	35	-2.0	-101.36	317.26	2.57	-98.79
CC1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC=C1OCCCC(=O)[O-]	REAL300000557553	1	45	-2.0	-96.22	390.14	3.67	-92.55
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1F	REAL300000557554	0	36	-2.0	-95.01	333.84	2.10	-92.91
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000557555	1	39	-2.0	-115.59	345.68	2.72	-112.87
CC1=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C(C(=O)[O-])S1	REAL300000557556	0	32	-2.0	-107.13	306.24	1.64	-105.49
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557557	0	32	-2.0	-99.09	324.77	2.77	-96.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C(Cl)=C1	REAL300000557558	0	32	-2.0	-94.47	309.60	2.32	-92.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C(Br)=C1	REAL300000557559	0	32	-2.0	-94.02	312.95	2.46	-91.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1F	REAL300000557560	0	32	-2.0	-96.36	301.08	1.79	-94.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)S1	REAL300000557561	0	29	-2.0	-98.27	288.82	0.88	-97.39
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557562	0	32	-2.0	-100.00	302.95	1.81	-98.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1F	REAL300000557563	0	35	-2.0	-108.07	322.31	2.45	-105.62
COC1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000557564	0	36	-2.0	-99.04	336.86	2.38	-96.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C(F)=C1	REAL300000557565	0	32	-2.0	-96.01	302.01	1.83	-94.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1Cl	REAL300000557566	1	32	-2.0	-94.43	309.05	2.15	-92.28
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCCC2=C1	REAL300000557567	0	35	-2.0	-103.08	325.99	2.96	-100.12
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1	REAL300000557568	0	40	-2.0	-93.74	360.29	3.16	-90.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1Br	REAL300000557569	1	32	-2.0	-93.96	312.79	2.25	-91.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC(F)=C1F	REAL300000557570	0	32	-2.0	-98.14	307.37	1.84	-96.30
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557571	0	34	-2.0	-94.11	324.74	2.42	-91.69
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557572	0	33	-2.0	-110.05	306.26	-0.53	-110.58
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1	REAL300000557573	0	35	-2.0	-100.87	318.71	2.53	-98.34
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC(Cl)=C1F	REAL300000557574	0	32	-2.0	-99.51	317.25	2.28	-97.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN=C2OCCC2=C1	REAL300000557575	1	35	-2.0	-104.80	306.62	2.39	-102.41
CC1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC(C(=O)[O-])=C1F	REAL300000557576	1	35	-2.0	-108.00	321.38	2.40	-105.60
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C2OCCC2=C1	REAL300000557577	1	35	-2.0	-97.28	311.96	2.53	-94.75
CC1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC(C(=O)[O-])=C1C	REAL300000557578	1	38	-2.0	-113.45	334.05	2.95	-110.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC=C1[N+](=O)[O-]	REAL300000557579	0	34	-2.0	-107.48	323.11	2.85	-104.63
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557580	0	32	-2.0	-98.32	308.31	1.87	-96.45
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C(C)=C1C(=O)[O-]	REAL300000557581	1	38	-2.0	-109.02	331.02	3.15	-105.87
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000557582	0	35	-2.0	-109.07	321.86	2.45	-106.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1Cl	REAL300000557583	0	35	-2.0	-107.19	328.31	2.89	-104.30
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557584	0	35	-2.0	-112.78	321.58	2.44	-110.34
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000557585	1	38	-2.0	-110.78	330.51	2.93	-107.85
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1CC(=O)[O-]	REAL300000557586	1	39	-2.0	-111.51	347.01	1.88	-109.63
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN=C2OCCC2=C1	REAL300000557587	0	35	-2.0	-98.13	322.81	2.93	-95.20
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1C(F)(F)F	REAL300000557588	1	35	-2.0	-93.43	326.67	2.55	-90.88
CC1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC(C(=O)[O-])=C1Cl	REAL300000557589	0	35	-2.0	-106.74	327.77	2.71	-104.03
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557590	0	32	-2.0	-101.86	317.84	2.36	-99.50
CCN1C=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000557591	0	36	-2.0	-108.74	324.57	1.98	-106.76
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C(C)=C1CC(=O)[O-]	REAL300000557592	1	44	-2.0	-108.56	361.70	4.63	-103.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C(F)C(Cl)=C1F	REAL300000557593	0	32	-2.0	-97.10	322.13	2.31	-94.79
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000557594	1	35	-2.0	-103.26	330.29	2.82	-100.44
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C(C(=O)[O-])S1	REAL300000557595	0	41	-2.0	-107.18	345.99	3.88	-103.30
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000557596	0	36	-2.0	-111.04	336.88	2.39	-108.65
CC1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC=C1C(=O)[O-]	REAL300000557597	1	35	-2.0	-96.94	312.56	2.29	-94.65
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C([N+](=O)[O-])=C1	REAL300000557598	0	37	-2.0	-101.40	339.81	3.93	-97.47
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C2OCCC2=C1	REAL300000557599	1	35	-2.0	-108.22	316.50	2.57	-105.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1[N+](=O)[O-]	REAL300000557600	0	34	-2.0	-115.82	320.29	3.61	-112.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1F	REAL300000557601	0	32	-2.0	-112.13	300.21	1.79	-110.34
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300000557602	0	35	-2.0	-101.50	321.49	2.43	-99.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=CC2=CC=CC=C21	REAL300000557603	0	38	-2.0	-116.97	337.59	3.88	-113.09
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C1	REAL300000557604	0	31	-2.0	-107.02	293.54	-0.18	-107.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C2OCCC2=C1	REAL300000557605	0	36	-2.0	-101.03	324.75	1.55	-99.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)=C(Cl)O1	REAL300000557606	0	29	-2.0	-97.10	296.70	0.73	-96.37
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN=C4OCCC4=C3)C=C2)CC1	REAL300000557607	0	39	-2.0	-103.73	342.67	3.64	-100.09
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN=C4OCCC4=C3)C=C2C1	REAL300000557608	0	39	-2.0	-105.89	341.99	3.65	-102.24
CCC1=C(S(=O)(=O)[N-]C2=CN=C3OCCC3=C2)C=C(C(=O)[O-])O1	REAL300000557609	0	35	-2.0	-103.55	318.68	1.75	-101.80
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)=C2)=NO1	REAL300000557610	1	39	-2.0	-109.50	363.98	5.13	-104.37
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)=C2)=NO1	REAL300000557611	1	39	-2.0	-99.51	359.41	5.11	-94.40
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)=C2)=NO1	REAL300000557612	1	39	-2.0	-112.06	359.43	5.10	-106.96
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)=C2)=NO1	REAL300000557613	1	43	-2.0	-98.89	390.90	6.39	-92.50
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)=C2)=NO1	REAL300000557614	1	42	-2.0	-113.14	375.45	5.63	-107.51
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)=C2)=NO1	REAL300000557615	0	39	-2.0	-108.69	364.91	5.16	-103.53
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)=C2)=NO1	REAL300000557616	0	36	-2.0	-106.25	352.62	4.11	-102.14
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)=C2)=NO1	REAL300000557617	1	42	-2.0	-112.00	374.86	5.88	-106.12
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)=C2)=NO1	REAL300000557618	0	40	-2.0	-110.49	366.08	4.45	-106.04
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)=C2)=NO1	REAL300000557619	0	39	-2.0	-102.38	368.55	4.79	-97.59
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)=C2)=NO1	REAL300000557620	0	36	-2.0	-107.71	351.08	4.13	-103.58
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)=C2)=NO1	REAL300000557621	0	39	-2.0	-105.28	362.44	4.23	-101.05
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)=C2)=NO1	REAL300000557622	0	39	-2.0	-108.59	368.03	4.99	-103.60
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)=C2)=NO1	REAL300000557623	1	39	-2.0	-99.06	363.95	5.14	-93.92
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)=C2)=NO1	REAL300000557624	0	36	-2.0	-101.19	351.70	4.23	-96.96
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)=C2)=NO1	REAL300000557625	1	39	-2.0	-102.86	365.84	5.17	-97.69
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)=C2)=NO1	REAL300000557626	0	39	-2.0	-99.06	364.90	5.17	-93.89
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)=C2)=NO1	REAL300000557627	0	40	-2.0	-110.65	369.14	2.81	-107.84
CCC1=NC(C2=CC=CC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])=C2)=NO1	REAL300000557627	1	40	-2.0	-107.99	358.16	3.69	-104.30
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)=C2)=NO1	REAL300000557628	1	42	-2.0	-102.45	381.60	5.88	-96.57
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)=C2)=NO1	REAL300000557629	1	42	-2.0	-108.94	369.50	5.74	-103.20
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CN(CC)C(C(=O)[O-])=C3)=C2)=NO1	REAL300000557631	0	43	-2.0	-111.81	387.46	5.32	-106.49
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)=C2)=NO1	REAL300000557632	1	42	-2.0	-99.63	375.44	5.64	-93.99
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)=C2)=NO1	REAL300000557633	0	39	-2.0	-116.99	363.05	5.12	-111.87
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)=C2)=NO1	REAL300000557634	0	38	-2.0	-108.16	356.42	3.15	-105.01
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)=C2)=NO1	REAL300000557635	0	36	-2.0	-99.46	359.58	4.07	-95.39
CCC1=NC(C2=CC=CC([N-]S(=O)(=O)C3=C(CC)OC(C(=O)[O-])=C3)=C2)=NO1	REAL300000557636	0	42	-2.0	-105.05	381.57	5.08	-99.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(=O)NC1CC1	REAL300000557637	1	42	-2.0	-102.11	374.31	5.70	-96.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(=O)NC1CC1	REAL300000557639	1	42	-2.0	-104.14	369.77	5.67	-98.47
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(=O)NC1CC1	REAL300000557641	0	42	-2.0	-101.58	375.25	5.73	-95.85
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(=O)NC1CC1	REAL300000557642	0	39	-2.0	-98.55	362.96	4.69	-93.86
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1C(=O)NC1CC1	REAL300000557643	1	45	-2.0	-105.57	385.20	6.45	-99.12
CC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(=O)NC1CC1	REAL300000557644	1	43	-2.0	-102.61	376.42	5.03	-97.58
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)NC3CC3)=C2)=C1	REAL300000557645	0	42	-2.0	-94.95	378.89	5.36	-89.59
CC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(=O)NC1CC1	REAL300000557646	0	39	-2.0	-100.22	361.42	4.70	-95.52
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)NC3CC3)=C2)C=C(C(=O)[O-])O1	REAL300000557647	0	42	-2.0	-98.62	372.78	4.81	-93.81
CC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)NC3CC3)=C2)C=C(C(=O)[O-])S1	REAL300000557648	1	42	-2.0	-102.07	378.37	5.56	-96.51
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(=O)NC1CC1	REAL300000557649	1	42	-2.0	-91.76	374.29	5.71	-86.05
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(=O)NC1CC1	REAL300000557650	0	39	-2.0	-93.79	362.04	4.80	-88.99
CC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(=O)NC1CC1	REAL300000557651	1	42	-2.0	-95.18	376.18	5.74	-89.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(=O)NC1CC1	REAL300000557652	0	42	-2.0	-91.46	375.24	5.74	-85.72
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C(=O)NC1CC1	REAL300000557653	0	43	-2.0	-104.58	379.48	3.39	-101.19
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C(=O)NC1CC1	REAL300000557653	1	43	-2.0	-103.87	378.62	4.15	-99.72
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(=O)NC1CC1	REAL300000557654	1	45	-2.0	-95.74	391.94	6.46	-89.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C(=O)NC1CC1	REAL300000557655	1	45	-2.0	-100.40	379.91	6.32	-94.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)NC3CC3)=C2)C=C1C(=O)[O-]	REAL300000557657	1	46	-2.0	-104.12	397.77	5.88	-98.24
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(=O)NC1CC1	REAL300000557659	0	42	-2.0	-108.08	373.43	5.71	-102.37
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(=O)NC1CC1	REAL300000557660	0	41	-2.0	-101.77	366.00	3.81	-97.96
CC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C(=O)NC1CC1	REAL300000557661	0	39	-2.0	-92.49	369.92	4.66	-87.83
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C)C(C(=O)NC3CC3)=C2)C=C(C(=O)[O-])O1	REAL300000557662	0	45	-2.0	-98.52	391.90	5.66	-92.86
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000557663	1	32	-2.0	-111.20	317.39	5.05	-106.15
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000557664	1	32	-2.0	-101.12	312.85	5.03	-96.09
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000557665	1	32	-2.0	-114.08	312.85	5.02	-109.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1F	REAL300000557666	1	36	-2.0	-120.07	341.00	4.83	-115.24
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000557667	1	36	-2.0	-100.43	344.31	6.32	-94.11
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000557668	1	35	-2.0	-115.41	328.87	5.56	-109.85
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300000557669	1	38	-2.0	-117.68	345.54	6.39	-111.29
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000557670	0	32	-2.0	-111.89	318.33	5.10	-106.79
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000557671	1	38	-2.0	-99.95	356.42	6.61	-93.34
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000557672	0	29	-2.0	-108.49	306.04	4.06	-104.43
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000557673	1	35	-2.0	-115.37	328.29	5.81	-109.56
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000557674	1	36	-2.0	-99.10	343.94	5.31	-93.79
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000557675	1	33	-2.0	-112.30	319.50	4.39	-107.91
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000557677	0	32	-2.0	-104.38	321.96	4.72	-99.66
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300000557678	1	38	-2.0	-117.13	343.93	6.38	-110.75
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000557679	1	29	-2.0	-109.76	304.51	4.07	-105.69
COC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000557680	1	36	-2.0	-120.02	340.13	5.09	-114.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1F	REAL300000557681	1	38	-2.0	-113.47	342.99	6.75	-106.72
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000557682	1	39	-2.0	-119.99	357.10	6.92	-113.07
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000557683	0	32	-2.0	-108.07	315.89	4.17	-103.90
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000557684	1	36	-2.0	-114.46	341.78	4.12	-110.34
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000557685	1	35	-2.0	-105.67	333.57	5.84	-99.83
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000557686	1	32	-2.0	-111.40	322.55	4.92	-106.48
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000557687	1	32	-2.0	-98.43	325.91	5.59	-92.84
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000557688	1	32	-2.0	-100.49	317.39	5.06	-95.43
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000557689	0	29	-2.0	-103.23	305.12	4.16	-99.07
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000557690	1	32	-2.0	-104.77	319.27	5.09	-99.68
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300000557691	0	35	-2.0	-113.48	338.63	5.73	-107.75
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000557692	0	32	-2.0	-100.61	318.32	5.10	-95.51
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000557693	1	32	-2.0	-98.67	325.36	5.43	-93.24
COC1=CC=C(Cl)C(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000557694	0	33	-2.0	-116.54	314.37	2.88	-113.66
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000557694	1	33	-2.0	-114.22	322.57	2.74	-111.48
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000557695	1	35	-2.0	-105.39	335.02	5.81	-99.58
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000557696	1	35	-2.0	-110.59	326.70	5.76	-104.83
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300000557697	1	35	-2.0	-112.76	337.69	5.67	-107.09
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000557698	1	35	-2.0	-101.32	328.27	5.79	-95.53
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300000557699	1	38	-2.0	-117.54	345.74	6.09	-111.45
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000557700	0	32	-2.0	-103.29	324.61	5.16	-98.13
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000557701	1	38	-2.0	-113.87	347.33	6.41	-107.46
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300000557702	0	35	-2.0	-113.17	334.34	5.62	-107.55
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000557703	0	35	-2.0	-118.56	337.89	5.72	-112.84
CCC1=CC=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000557704	1	38	-2.0	-116.24	346.79	6.21	-110.03
CCN1C=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000557705	1	36	-2.0	-113.66	340.87	5.24	-108.42
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000557706	1	35	-2.0	-101.41	328.86	5.57	-95.84
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000557707	1	35	-2.0	-112.82	332.39	5.87	-106.95
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000557708	0	32	-2.0	-117.66	316.51	5.06	-112.60
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000557709	1	35	-2.0	-106.76	337.80	5.70	-101.06
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000557710	0	31	-2.0	-112.14	309.08	3.16	-108.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(OC)C=CC(Cl)=C1F	REAL300000557711	1	36	-2.0	-105.58	341.06	4.82	-100.76
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000557712	0	29	-2.0	-101.92	313.01	4.02	-97.90
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000557713	1	39	-2.0	-108.11	358.98	6.91	-101.20
COC1=CC=C(Cl)C(F)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000557714	1	39	-2.0	-110.45	356.94	6.89	-103.56
CCC1=C(S(=O)(=O)[N-]C2=C(OC)C=CC(Cl)=C2F)C=C(C(=O)[O-])O1	REAL300000557715	0	35	-2.0	-107.91	334.99	5.02	-102.89
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=CC=C1F	REAL300000557716	1	29	-2.0	-107.00	298.92	2.90	-104.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1	REAL300000557717	1	29	-2.0	-97.77	294.37	2.88	-94.89
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557718	1	29	-2.0	-111.40	294.37	2.87	-108.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC(Cl)=C1F	REAL300000557719	1	33	-2.0	-117.13	322.50	2.68	-114.45
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1	REAL300000557720	1	33	-2.0	-97.38	325.83	4.18	-93.20
CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000557721	1	32	-2.0	-110.67	310.39	3.41	-107.26
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557722	1	29	-2.0	-107.18	307.45	3.45	-103.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=CC=C1Cl	REAL300000557723	1	29	-2.0	-105.47	306.89	3.27	-102.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1C	REAL300000557724	1	35	-2.0	-115.18	327.05	4.24	-110.94
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557725	0	29	-2.0	-108.91	299.84	2.95	-105.96
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1	REAL300000557726	1	35	-2.0	-96.49	337.95	4.46	-92.03
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557727	0	26	-2.0	-105.48	287.56	1.91	-103.57
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC(Cl)=C1F	REAL300000557728	1	32	-2.0	-112.88	309.81	3.66	-109.22
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1	REAL300000557729	1	33	-2.0	-95.92	325.45	3.16	-92.76
CN1C=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000557730	1	30	-2.0	-109.24	301.02	2.23	-107.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557732	0	29	-2.0	-100.63	303.48	2.57	-98.06
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000557733	1	35	-2.0	-114.22	325.83	4.19	-110.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=CS1	REAL300000557734	1	26	-2.0	-106.79	286.02	1.93	-104.86
COC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000557735	1	33	-2.0	-117.17	321.65	2.94	-114.23
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557736	1	39	-2.0	-117.01	349.62	5.50	-111.51
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC(Cl)=C1F	REAL300000557737	1	38	-2.0	-115.25	348.27	4.88	-110.37
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC(Cl)=C1F	REAL300000557738	1	35	-2.0	-111.46	324.50	4.59	-106.87
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC(Cl)=C1F	REAL300000557739	1	36	-2.0	-116.84	344.80	3.44	-113.40
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557740	0	32	-2.0	-111.75	328.45	3.40	-108.35
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557740	1	31	-3.0	-185.89	322.78	3.44	-182.45
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557741	1	36	-2.0	-117.28	338.62	4.77	-112.51
CC1=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C(C(=O)[O-])O1	REAL300000557742	0	29	-2.0	-105.76	297.38	2.02	-103.74
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557743	1	33	-2.0	-109.46	323.29	1.97	-107.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C(Cl)C=C1F	REAL300000557744	1	29	-2.0	-103.81	311.96	3.47	-100.34
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC(Cl)=C1F	REAL300000557746	1	32	-2.0	-103.18	315.08	3.68	-99.50
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1F	REAL300000557747	1	33	-2.0	-95.57	331.67	3.22	-92.35
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000557748	1	36	-2.0	-115.99	343.51	3.85	-112.14
CC1=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C(C(=O)[O-])S1	REAL300000557749	1	29	-2.0	-109.12	304.07	2.77	-106.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C(Cl)=C1	REAL300000557750	1	29	-2.0	-95.05	307.43	3.44	-91.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1F	REAL300000557751	1	29	-2.0	-97.40	298.89	2.91	-94.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)S1	REAL300000557752	0	26	-2.0	-99.42	286.63	2.01	-97.41
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557753	1	29	-2.0	-102.02	300.79	2.93	-99.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1F	REAL300000557754	0	32	-2.0	-110.06	320.14	3.58	-106.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C(F)=C1	REAL300000557755	0	29	-2.0	-96.97	299.84	2.95	-94.02
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1Cl	REAL300000557756	1	29	-2.0	-95.42	306.86	3.27	-92.15
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC(Cl)=C1F	REAL300000557757	1	32	-2.0	-104.98	323.82	4.07	-100.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=CC(F)=C1F	REAL300000557758	1	29	-2.0	-98.73	305.20	2.97	-95.76
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557759	1	31	-2.0	-95.86	322.56	3.53	-92.33
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557760	0	30	-2.0	-112.86	295.89	0.73	-112.13
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557760	1	30	-2.0	-111.86	304.09	0.59	-111.27
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1	REAL300000557761	1	32	-2.0	-101.92	316.56	3.66	-98.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=CC(Cl)=C1F	REAL300000557762	1	29	-2.0	-100.21	315.08	3.40	-96.81
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(O)C=CC(Cl)=C1F	REAL300000557763	1	32	-2.0	-106.04	308.21	3.61	-102.43
CC1=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=CC(C(=O)[O-])=C1F	REAL300000557764	1	32	-2.0	-108.21	319.21	3.52	-104.69
CC1=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=CC(C(=O)[O-])=C1C	REAL300000557766	1	35	-2.0	-112.64	327.26	3.94	-108.70
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=CC=C1[N+](=O)[O-]	REAL300000557767	1	31	-2.0	-107.45	320.95	3.96	-103.49
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557768	0	29	-2.0	-100.12	306.13	3.00	-97.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000557770	0	32	-2.0	-110.95	319.69	3.57	-107.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1Cl	REAL300000557771	1	32	-2.0	-108.82	326.12	4.01	-104.81
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557772	0	32	-2.0	-113.36	319.41	3.56	-109.80
CCC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000557773	1	35	-2.0	-113.28	328.31	4.06	-109.22
COC1=CC=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1CC(=O)[O-]	REAL300000557774	1	36	-2.0	-112.86	344.84	3.00	-109.86
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=C(O)C=CC(Cl)=C1F	REAL300000557775	1	32	-2.0	-98.68	320.64	4.07	-94.61
CC1=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=CC(C(=O)[O-])=C1Cl	REAL300000557776	1	32	-2.0	-107.20	325.59	3.84	-103.36
CCN1C=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000557777	1	33	-2.0	-109.18	322.38	3.09	-106.09
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000557778	1	32	-2.0	-104.04	328.14	3.94	-100.10
CC1=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=CC=C1C(=O)[O-]	REAL300000557779	1	32	-2.0	-97.80	310.38	3.41	-94.39
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=CC(Cl)=C1F	REAL300000557780	1	32	-2.0	-110.58	313.91	3.72	-106.86
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1[N+](=O)[O-]	REAL300000557781	0	31	-2.0	-114.92	318.10	4.72	-110.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1F	REAL300000557782	0	29	-2.0	-112.75	298.04	2.91	-109.84
CC1=C(F)C=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300000557783	1	32	-2.0	-102.31	319.32	3.55	-98.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=CC2=CC=CC=C21	REAL300000557784	1	35	-2.0	-117.79	335.41	5.00	-112.79
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C1	REAL300000557785	0	28	-2.0	-109.03	290.60	1.01	-108.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(O)C=CC(Cl)=C1F	REAL300000557786	1	33	-2.0	-102.07	322.58	2.67	-99.40
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)=C(Cl)O1	REAL300000557787	0	26	-2.0	-98.98	294.52	1.86	-97.12
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=C(O)C=CC(Cl)=C3F)C=C2)CC1	REAL300000557788	1	36	-2.0	-104.23	340.50	4.76	-99.47
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=C(O)C=CC(Cl)=C3F)C=C2C1	REAL300000557789	1	36	-2.0	-106.09	338.47	4.74	-101.35
CCC1=C(S(=O)(=O)[N-]C2=C(O)C=CC(Cl)=C2F)C=C(C(=O)[O-])O1	REAL300000557790	0	32	-2.0	-105.59	316.50	2.86	-102.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)=CC=C1F	REAL300000557791	1	35	-2.0	-100.93	340.61	7.35	-93.58
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)=C1	REAL300000557793	1	35	-2.0	-103.88	336.09	7.32	-96.56
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)C=C1	REAL300000557794	1	39	-2.0	-91.14	367.53	8.61	-82.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)=C1C	REAL300000557796	1	41	-2.0	-106.20	368.47	8.63	-97.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)=C1	REAL300000557797	0	35	-2.0	-100.62	341.55	7.38	-93.24
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)C=C1	REAL300000557798	1	41	-2.0	-90.44	379.64	8.90	-81.54
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)=C1	REAL300000557799	0	32	-2.0	-97.78	329.26	6.34	-91.44
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C=CC(F)(F)F)C=C1	REAL300000557800	1	38	-2.0	-105.11	351.51	8.11	-97.00
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000557801	1	36	-2.0	-102.24	342.72	6.67	-95.57
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)=C1	REAL300000557802	0	35	-2.0	-93.99	345.21	7.00	-86.99
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)=CS1	REAL300000557804	0	32	-2.0	-99.13	327.72	6.35	-92.78
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C=CC(F)(F)F)C=C1	REAL300000557805	1	41	-2.0	-103.62	366.24	9.05	-94.57
CC1=C(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000557806	0	35	-2.0	-98.12	339.11	6.46	-91.66
CC1=C(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300000557807	1	35	-2.0	-101.56	344.70	7.22	-94.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)C=C1F	REAL300000557808	1	35	-2.0	-91.20	340.61	7.36	-83.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)S1	REAL300000557809	0	32	-2.0	-93.27	328.33	6.45	-86.82
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)=C1	REAL300000557810	1	35	-2.0	-94.27	342.48	7.38	-86.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)C(F)=C1	REAL300000557811	0	35	-2.0	-90.46	341.54	7.39	-83.07
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)=C1	REAL300000557812	0	36	-2.0	-104.11	345.79	5.03	-99.08
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C=CC(F)(F)F)C=C2)=C1	REAL300000557812	1	36	-2.0	-103.05	345.00	5.82	-97.23
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)C=C1	REAL300000557813	1	38	-2.0	-95.12	358.24	8.09	-87.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C=CC(F)(F)F)C=C1	REAL300000557814	1	38	-2.0	-101.11	349.36	8.07	-93.04
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300000557819	1	39	-2.0	-103.48	364.10	7.54	-95.94
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)=C1F	REAL300000557821	0	35	-2.0	-107.62	339.73	7.35	-100.27
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)=C1	REAL300000557822	0	34	-2.0	-100.98	332.28	5.44	-95.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)=C(Cl)O1	REAL300000557823	0	32	-2.0	-91.87	336.22	6.29	-85.58
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C=CC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300000557824	0	38	-2.0	-98.09	358.20	7.31	-90.78
C=C(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1C(F)(F)F	REAL300000557825	1	38	-2.0	-89.70	353.78	7.68	-82.02
C=C(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000557826	1	38	-2.0	-101.77	353.86	7.65	-94.12
C=C(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000557827	1	41	-2.0	-104.18	373.88	8.31	-95.87
C=C(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1C(F)(F)F	REAL300000557828	0	35	-2.0	-96.15	347.00	6.68	-89.47
C=C(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1C(F)(F)F	REAL300000557829	1	41	-2.0	-102.85	369.25	8.45	-94.40
C=C(C)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000557830	0	39	-2.0	-100.17	360.51	7.02	-93.15
C=C(C)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000557831	0	35	-2.0	-97.61	345.20	6.68	-90.93
C=C(C)C1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300000557832	0	38	-2.0	-96.00	356.84	6.80	-89.20
C=C(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1C(F)(F)F	REAL300000557833	0	35	-2.0	-91.26	346.08	6.80	-84.46
C=C(C)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1C(F)(F)F	REAL300000557834	1	41	-2.0	-93.13	375.97	8.45	-84.68
C=C(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1C(F)(F)F	REAL300000557835	1	41	-2.0	-97.99	363.69	8.30	-89.69
C=C(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1C(F)(F)F	REAL300000557837	1	41	-2.0	-89.82	369.88	8.21	-81.61
C=C(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1C(F)(F)F	REAL300000557838	0	37	-2.0	-98.97	350.27	5.70	-93.27
NS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300000557845	0	35	-2.0	-103.03	338.39	-0.81	-103.84
NS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300000557847	0	32	-2.0	-101.32	326.10	-1.86	-103.18
CN1C=C(S(=O)(=O)[N-]C2=CC=C(NS(N)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000557849	1	36	-2.0	-109.44	339.58	-1.51	-110.95
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(NS(N)(=O)=O)C=C2)=C1	REAL300000557850	0	35	-2.0	-97.92	342.05	-1.18	-99.10
NS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300000557852	1	32	-2.0	-102.69	324.56	-1.84	-104.53
CC1=C(S(=O)(=O)[N-]C2=CC=C(NS(N)(=O)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000557854	0	35	-2.0	-105.44	335.97	-1.73	-107.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(NS(N)(=O)=O)C=C2)C=C(C(=O)[O-])S1	REAL300000557855	1	35	-2.0	-109.41	341.56	-0.98	-110.39
NS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300000557857	0	32	-2.0	-99.74	325.20	-1.75	-101.49
NS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300000557858	1	35	-2.0	-97.75	339.32	-0.80	-98.55
NS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300000557859	0	35	-2.0	-94.08	338.38	-0.80	-94.88
NS(=O)(=O)NC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300000557860	0	36	-2.0	-104.25	341.86	-2.36	-106.61
NS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300000557860	1	36	-2.0	-112.18	342.65	-3.17	-115.35
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(NS(N)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300000557867	1	39	-2.0	-110.68	360.96	-0.66	-111.34
NS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300000557869	0	35	-2.0	-113.54	336.60	-0.83	-114.37
NS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300000557870	0	34	-2.0	-104.77	329.12	-2.76	-107.53
NS(=O)(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300000557871	0	32	-2.0	-99.24	333.08	-1.89	-101.13
CCC1=C(S(=O)(=O)[N-]C2=CC=C(NS(N)(=O)=O)C=C2)C=C(C(=O)[O-])O1	REAL300000557872	0	38	-2.0	-105.57	355.06	-0.87	-106.44
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(Cl)C=C2O)C=C1	REAL300000557873	0	32	-2.0	-85.56	321.19	5.80	-79.76
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(Cl)C=C2O)=C1	REAL300000557874	0	32	-2.0	-97.70	321.19	5.79	-91.91
CN1C=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(Cl)C=C2O)C=C1C(=O)[O-]	REAL300000557875	0	33	-2.0	-94.55	327.84	5.18	-89.37
CC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(Cl)C=C2O)C=C(C(=O)[O-])O1	REAL300000557876	0	32	-2.0	-90.90	324.20	4.93	-85.97
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(Cl)C=C2O)=C1	REAL300000557877	0	31	-2.0	-93.27	318.17	3.88	-89.39
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000557878	0	35	-2.0	-99.18	328.25	5.92	-93.26
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C(F)(F)F	REAL300000557879	0	35	-2.0	-90.86	323.70	5.90	-84.96
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000557880	0	35	-2.0	-101.44	323.71	5.88	-95.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(C)C=C2O)C=C1C(=O)[O-]	REAL300000557881	0	38	-2.0	-104.69	339.73	6.43	-98.26
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1C(F)(F)F	REAL300000557882	0	35	-2.0	-98.66	329.19	5.96	-92.70
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C(F)(F)F	REAL300000557883	0	32	-2.0	-96.42	316.90	4.95	-91.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(O)C=C(C)C(C(F)(F)F)=C1	REAL300000557884	0	38	-2.0	-101.80	339.15	6.63	-95.17
CC1=CC(O)=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000557885	0	36	-2.0	-100.31	330.35	5.29	-95.02
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(O)C=C(C)C(C(F)(F)F)=C2)=C1	REAL300000557886	0	35	-2.0	-93.26	332.85	5.61	-87.65
CC1=CC(O)=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000557887	0	32	-2.0	-97.60	315.36	4.94	-92.66
CC1=C(S(=O)(=O)[N-]C2=C(O)C=C(C)C(C(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300000557888	0	35	-2.0	-96.19	326.72	5.04	-91.15
CC1=C(S(=O)(=O)[N-]C2=C(O)C=C(C)C(C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300000557889	0	35	-2.0	-98.70	333.41	5.78	-92.92
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1C(F)(F)F	REAL300000557890	0	35	-2.0	-90.67	328.23	5.94	-84.73
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C(F)(F)F	REAL300000557891	0	32	-2.0	-92.71	315.97	5.05	-87.66
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000557892	0	35	-2.0	-94.58	330.12	5.95	-88.63
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1C(F)(F)F	REAL300000557893	0	35	-2.0	-90.57	329.17	5.96	-84.61
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C(F)(F)F	REAL300000557894	0	36	-2.0	-100.83	333.43	3.50	-97.33
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1C(F)(F)F	REAL300000557895	0	38	-2.0	-93.68	345.89	6.67	-87.01
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1C(F)(F)F	REAL300000557896	0	38	-2.0	-99.88	333.75	6.49	-93.39
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1C(F)(F)F	REAL300000557897	0	38	-2.0	-90.86	339.13	6.62	-84.24
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(C)C=C2O)C=C1C(=O)[O-]	REAL300000557898	0	39	-2.0	-101.61	351.74	6.15	-95.46
CC1=CC(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(C)C=C2O)=CC=C1C(=O)[O-]	REAL300000557899	0	38	-2.0	-90.83	339.72	6.44	-84.39
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1C(F)(F)F	REAL300000557900	0	35	-2.0	-108.05	327.35	5.92	-102.13
CC1=CC(O)=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C(F)(F)F	REAL300000557901	0	34	-2.0	-98.93	320.69	3.99	-94.94
CC1=CC(O)=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300000557902	0	32	-2.0	-91.42	323.82	4.90	-86.52
CCC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=C(C)C=C2O)C=C(C(=O)[O-])O1	REAL300000557903	0	38	-2.0	-96.05	345.83	5.90	-90.15
CC1=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=CC=C1S(C)(=O)=O	REAL300000557904	1	37	-2.0	-109.97	340.37	3.25	-106.72
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=CC=C1S(C)(=O)=O	REAL300000557905	1	37	-2.0	-98.64	335.75	3.23	-95.41
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=CC=C1S(C)(=O)=O	REAL300000557906	1	37	-2.0	-109.56	336.42	3.25	-106.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)(=O)=O)=C1C	REAL300000557907	0	41	-2.0	-115.64	364.56	3.05	-112.59
CC1=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=CC=C1S(C)(=O)=O	REAL300000557908	1	41	-2.0	-98.54	367.22	4.52	-94.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(C)(=O)=O)=C2C)C=C1C(=O)[O-]	REAL300000557909	1	40	-2.0	-110.55	352.35	3.77	-106.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)(=O)=O)=C2C)=C1C	REAL300000557910	1	43	-2.0	-112.67	369.49	4.59	-108.08
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=CC=C1S(C)(=O)=O	REAL300000557911	0	37	-2.0	-107.78	341.90	3.31	-104.47
CC1=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=CC=C1S(C)(=O)=O	REAL300000557912	1	43	-2.0	-97.41	379.34	4.81	-92.60
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=CC=C1S(C)(=O)=O	REAL300000557913	0	34	-2.0	-104.35	329.60	2.26	-102.09
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)(=O)=O)=C1C	REAL300000557914	1	40	-2.0	-110.91	351.85	4.04	-106.87
CC1=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=CC=C1S(C)(=O)=O	REAL300000557915	1	41	-2.0	-96.98	366.84	3.51	-93.47
CC1=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=CC=C1S(C)(=O)=O	REAL300000557916	0	38	-2.0	-110.53	342.48	2.59	-107.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(S(C)(=O)=O)=C2C)=C1	REAL300000557918	0	37	-2.0	-102.11	345.55	2.94	-99.17
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(S(C)(=O)=O)=C2C)C=C1C(=O)[O-]	REAL300000557919	1	43	-2.0	-115.15	367.81	4.56	-110.59
CC1=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=CC=C1S(C)(=O)=O	REAL300000557920	0	34	-2.0	-105.65	328.07	2.28	-103.37
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(C)(=O)=O)=C2C)C=C1C(=O)[O-]	REAL300000557921	1	41	-2.0	-118.40	363.11	3.29	-115.11
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(S(C)(=O)=O)=C1C	REAL300000557922	1	43	-2.0	-112.34	364.78	4.90	-107.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC(S(C)(=O)=O)=C2C)C=C(C(=O)[O-])O1	REAL300000557923	0	37	-2.0	-104.32	339.43	2.39	-101.93
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(S(C)(=O)=O)=C2C)=C1	REAL300000557924	0	41	-2.0	-109.86	364.68	2.31	-107.55
CC1=C(S(=O)(=O)[N-]C2=CC=CC(S(C)(=O)=O)=C2C)C=C(C(=O)[O-])S1	REAL300000557925	0	37	-2.0	-110.03	345.45	3.11	-106.92
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=CC=C1S(C)(=O)=O	REAL300000557926	1	37	-2.0	-97.95	340.35	3.27	-94.68
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=CC=C1S(C)(=O)=O	REAL300000557927	0	34	-2.0	-100.88	328.68	2.38	-98.50
CC1=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=CC=C1S(C)(=O)=O	REAL300000557928	1	37	-2.0	-103.13	342.83	3.32	-99.81
CC1=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=CC=C1S(C)(=O)=O	REAL300000557929	0	37	-2.0	-98.32	341.88	3.32	-95.00
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=CC=C1S(C)(=O)=O	REAL300000557930	0	38	-2.0	-110.25	346.13	0.97	-109.28
CC1=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=CC=C1S(C)(=O)=O	REAL300000557930	1	38	-2.0	-103.16	339.65	1.81	-101.35
CC1=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=CC=C1S(C)(=O)=O	REAL300000557931	1	40	-2.0	-102.39	357.94	4.01	-98.38
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=CC=C1S(C)(=O)=O	REAL300000557932	1	40	-2.0	-105.43	345.96	3.86	-101.57
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(S(C)(=O)=O)=C1C	REAL300000557933	1	40	-2.0	-98.60	351.84	4.03	-94.57
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)(=O)=O)=C2C)=CC(C(=O)[O-])=C1C	REAL300000557934	1	43	-2.0	-112.54	369.30	4.32	-108.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(C)(=O)=O)=C2C)C(C)=C1C(=O)[O-]	REAL300000557935	1	43	-2.0	-112.04	370.86	4.64	-107.40
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(S(C)(=O)=O)=C2C)C=C1C(=O)[O-]	REAL300000557936	1	43	-2.0	-114.31	370.28	4.41	-109.90
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(S(C)(=O)=O)=C2C)C=C1C(=O)[O-]	REAL300000557937	0	41	-2.0	-111.82	363.78	3.44	-108.38
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(S(C)(=O)=O)=C2C)=CC=C1C(=O)[O-]	REAL300000557938	1	40	-2.0	-98.70	352.43	3.79	-94.91
CC1=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=CC=C1S(C)(=O)=O	REAL300000557939	0	37	-2.0	-116.25	340.02	3.28	-112.97
CC1=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=CC=C1S(C)(=O)=O	REAL300000557940	0	36	-2.0	-109.74	332.59	1.36	-108.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(S(C)(=O)=O)=C1C	REAL300000557941	0	41	-2.0	-102.72	364.62	3.05	-99.67
CC1=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=CC=C1S(C)(=O)=O	REAL300000557942	0	34	-2.0	-98.43	336.52	2.22	-96.21
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(S(C)(=O)=O)=C2C)C=C(C(=O)[O-])O1	REAL300000557943	0	40	-2.0	-106.54	357.88	3.21	-103.33
CC(C)C1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000557944	1	40	-2.0	-94.48	363.16	8.06	-86.42
CC(C)C1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000557945	1	40	-2.0	-107.23	362.84	8.05	-99.18
CC(C)C1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000557946	0	37	-2.0	-101.53	356.36	7.07	-94.46
CC(C)C1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000557947	0	41	-2.0	-105.46	369.82	7.40	-98.06
CC(C)C1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000557948	0	37	-2.0	-102.77	354.49	7.08	-95.69
CC1=C(S(=O)(=O)[N-]C2=CC(C(F)(F)F)=CC=C2C(C)C)C=C(C(=O)[O-])O1	REAL300000557949	0	40	-2.0	-101.43	365.85	7.18	-94.25
CC(C)C1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000557950	0	37	-2.0	-96.30	355.43	7.18	-89.12
CC(C)C1=CC=C(C(F)(F)F)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000557951	0	39	-2.0	-105.41	360.14	6.11	-99.30
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=C(CO)C=CC=C32)=CC(C(=O)[O-])=C1	REAL300000557975	0	40	-2.0	-112.15	352.44	3.72	-108.43
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCOC3=C(CO)C=CC=C32)=C1	REAL300000557994	0	38	-2.0	-108.78	334.03	1.94	-106.84
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000558024	0	41	-2.0	-99.08	372.08	3.95	-95.13
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000558025	0	34	-2.0	-115.75	320.16	5.39	-110.36
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=N1	REAL300000558026	0	42	-2.0	-117.45	375.25	6.46	-110.99
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=N1	REAL300000558027	0	34	-2.0	-113.59	332.05	6.07	-107.52
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000558028	0	34	-2.0	-105.58	315.61	5.37	-100.21
CCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000558029	0	34	-2.0	-118.73	315.62	5.36	-113.37
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=N1	REAL300000558030	0	38	-2.0	-124.82	343.77	5.17	-119.65
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=N1	REAL300000558031	0	34	-2.0	-113.96	331.87	5.85	-108.11
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000558032	0	38	-2.0	-105.24	347.07	6.66	-98.58
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300000558033	0	37	-2.0	-121.21	335.69	6.01	-115.20
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000558034	0	34	-2.0	-114.39	328.70	5.93	-108.46
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000558035	0	34	-2.0	-114.33	328.13	5.76	-108.57
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=N1	REAL300000558036	0	34	-2.0	-109.77	341.19	6.31	-103.46
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300000558037	0	40	-2.0	-122.12	348.29	6.71	-115.41
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000558038	0	34	-2.0	-116.37	321.10	5.43	-110.94
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000558039	0	40	-2.0	-104.62	359.19	6.95	-97.67
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000558040	0	31	-2.0	-112.59	308.82	4.39	-108.20
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300000558041	0	37	-2.0	-119.86	331.06	6.14	-113.72
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000558042	0	38	-2.0	-103.93	346.69	5.65	-98.28
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)=N1	REAL300000558043	0	45	-2.0	-100.63	392.46	6.42	-94.21
CCCN1C=CC([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=N1	REAL300000558044	0	31	-2.0	-109.51	325.84	5.14	-104.37
CCCN1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000558045	0	35	-2.0	-116.94	322.26	4.72	-112.22
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=N1	REAL300000558046	0	38	-2.0	-120.45	339.42	4.20	-116.25
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300000558047	0	34	-2.0	-108.65	324.74	5.05	-103.60
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300000558048	0	40	-2.0	-121.23	347.08	6.67	-114.56
CCCN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000558049	0	31	-2.0	-114.14	307.27	4.40	-109.74
CCCN1C=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000558050	0	42	-2.0	-118.80	373.95	5.17	-113.63
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300000558051	0	38	-2.0	-124.77	342.92	5.43	-119.34
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000558052	0	44	-2.0	-124.12	370.86	7.99	-116.13
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000558053	0	43	-2.0	-122.29	369.52	7.36	-114.93
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)=N1	REAL300000558054	0	40	-2.0	-118.03	345.75	7.08	-110.95
CCCN1C=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=N1	REAL300000558055	0	41	-2.0	-124.82	366.06	5.93	-118.89
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000558056	0	36	-3.0	-194.33	344.03	5.93	-188.40
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000558057	0	41	-2.0	-124.42	359.87	7.25	-117.17
CCCN1C=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300000558058	0	34	-2.0	-112.19	318.63	4.51	-107.68
CCCN1C=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000558059	0	40	-2.0	-123.53	357.79	5.14	-118.39
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=N1	REAL300000558060	0	38	-2.0	-119.60	344.55	4.47	-115.13
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000558061	0	42	-2.0	-105.43	369.26	5.99	-99.44
CCCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000558062	0	34	-2.0	-107.83	343.30	6.21	-101.62
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000558063	0	34	-2.0	-110.67	333.22	5.95	-104.72
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300000558064	0	38	-2.0	-102.19	362.72	6.19	-96.00
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=N1	REAL300000558065	0	41	-2.0	-104.42	366.78	6.36	-98.06
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=N1	REAL300000558066	0	44	-2.0	-102.80	395.37	6.62	-96.18
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300000558067	0	37	-2.0	-109.91	336.34	6.18	-103.73
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)=N1	REAL300000558068	0	47	-2.0	-104.47	409.21	7.28	-97.19
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000558069	0	38	-2.0	-103.07	352.92	5.71	-97.36
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)=N1	REAL300000558070	0	41	-2.0	-125.39	364.78	6.34	-119.05
CCCN1C=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300000558071	0	34	-2.0	-115.79	325.32	5.25	-110.54
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300000558072	0	34	-2.0	-107.86	343.85	6.37	-101.49
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000558073	0	34	-2.0	-102.94	328.68	5.92	-97.02
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=N1	REAL300000558074	0	34	-2.0	-102.32	332.03	6.07	-96.25
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000558075	0	34	-2.0	-104.77	320.14	5.40	-99.37
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000558076	0	31	-2.0	-107.36	307.88	4.49	-102.87
CCCN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000558077	0	34	-2.0	-109.34	322.03	5.43	-103.91
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300000558078	0	37	-2.0	-117.83	341.38	6.07	-111.76
CCCN1C=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=N1	REAL300000558079	0	38	-2.0	-107.50	355.93	5.98	-101.52
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000558080	0	34	-2.0	-105.11	321.09	5.44	-99.67
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000558081	0	34	-2.0	-103.00	328.11	5.77	-97.23
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300000558082	0	37	-2.0	-111.74	345.07	6.57	-105.17
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000558083	0	42	-2.0	-101.86	379.36	6.78	-95.08
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=N1	REAL300000558084	0	34	-2.0	-102.66	331.84	5.86	-96.80
CCCN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000558085	0	34	-2.0	-106.97	326.44	5.46	-101.51
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000558086	0	36	-2.0	-103.21	343.81	6.03	-97.18
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000558087	0	35	-2.0	-118.79	325.34	3.09	-115.70
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000558088	0	37	-2.0	-109.74	337.79	6.15	-103.59
CCCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000558089	0	34	-2.0	-108.56	336.33	5.90	-102.66
CCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300000558090	0	37	-2.0	-114.51	325.70	5.99	-108.52
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000558091	0	37	-2.0	-117.21	340.46	6.02	-111.19
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300000558092	0	37	-2.0	-105.72	331.03	6.14	-99.58
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000558093	0	40	-2.0	-123.55	352.42	6.53	-117.02
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000558094	0	36	-2.0	-116.06	342.17	6.46	-109.60
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000558095	0	34	-2.0	-107.59	327.36	5.49	-102.10
CCCN1C=CC([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=N1	REAL300000558096	0	31	-2.0	-105.05	328.20	5.04	-100.01
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=N1	REAL300000558097	0	40	-2.0	-119.06	349.02	6.77	-112.29
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300000558098	0	37	-2.0	-117.55	337.10	5.96	-111.59
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=N1	REAL300000558099	0	37	-2.0	-116.23	347.39	6.49	-109.74
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=N1	REAL300000558100	0	37	-2.0	-123.53	340.66	6.06	-117.47
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)=N1	REAL300000558101	0	40	-2.0	-120.85	349.56	6.55	-114.30
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=N1	REAL300000558102	0	41	-2.0	-120.75	366.10	5.50	-115.25
CCCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=N1	REAL300000558103	0	37	-2.0	-107.68	341.89	6.55	-101.13
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300000558104	0	37	-2.0	-101.93	345.73	6.18	-95.75
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000558105	0	37	-2.0	-116.18	346.85	6.32	-109.86
CCCN1C=CC([N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300000558106	0	34	-2.0	-111.36	336.91	5.98	-105.38
CCCN1C=CC([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)=N1	REAL300000558107	0	38	-2.0	-118.30	343.64	5.59	-112.71
CCCN1C=CC([N-]S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)=N1	REAL300000558108	0	46	-2.0	-118.14	380.54	8.21	-109.93
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=N1	REAL300000558109	0	34	-2.0	-105.99	341.23	5.92	-100.07
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=N1	REAL300000558110	0	38	-2.0	-104.69	360.32	5.67	-99.02
CCCN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000558111	0	37	-2.0	-111.93	345.48	6.33	-105.60
CCCN1C=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=N1	REAL300000558112	0	43	-2.0	-115.39	365.06	7.46	-107.93
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=N1	REAL300000558113	0	38	-2.0	-119.97	355.95	5.98	-113.99
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300000558114	0	37	-2.0	-105.74	331.62	5.91	-99.83
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000558115	0	39	-2.0	-111.05	358.88	7.55	-103.50
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300000558116	0	37	-2.0	-117.20	335.17	6.20	-111.00
CCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000558117	0	36	-2.0	-125.74	339.35	7.23	-118.51
CCCN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000558118	0	34	-2.0	-122.72	319.28	5.40	-117.32
CCCN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300000558119	0	37	-2.0	-110.16	336.79	5.94	-104.22
CCCN1C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000558120	0	40	-2.0	-127.44	356.67	7.48	-119.96
CCCN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000558121	0	33	-2.0	-116.30	312.61	3.42	-112.88
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300000558122	0	38	-2.0	-110.21	343.83	5.17	-105.04
CCCN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000558123	0	31	-2.0	-105.80	315.76	4.34	-101.46
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300000558124	0	38	-2.0	-113.75	359.42	5.91	-107.84
CCCN1C=CC([N-]S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C(=O)[O-])S2)=N1	REAL300000558125	0	37	-2.0	-109.36	358.96	2.40	-106.96
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000558126	0	41	-2.0	-112.61	361.75	7.25	-105.36
CCCN1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000558127	0	41	-2.0	-116.12	361.06	7.25	-108.87
CCCN1C=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=N1	REAL300000558128	0	37	-2.0	-112.14	337.75	5.36	-106.78
CCSC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558129	1	35	-2.0	-103.07	346.89	7.35	-95.72
CCSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300000558130	1	35	-2.0	-93.15	342.34	7.33	-85.82
CCSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000558131	1	35	-2.0	-105.49	342.35	7.31	-98.18
CCSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1Cl	REAL300000558132	1	39	-2.0	-92.93	373.81	8.61	-84.32
CCSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558133	1	38	-2.0	-107.88	362.42	7.96	-99.92
CCSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1Cl	REAL300000558134	1	41	-2.0	-105.37	375.03	8.66	-96.71
CCSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000558135	0	35	-2.0	-103.18	347.83	7.38	-95.80
CCSC1=CC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300000558136	1	41	-2.0	-92.15	385.93	8.90	-83.25
CCSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000558137	0	32	-2.0	-99.82	335.53	6.33	-93.49
CCSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1Cl	REAL300000558138	1	38	-2.0	-107.26	357.78	8.10	-99.16
CCSC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558139	0	36	-2.0	-103.78	349.00	6.67	-97.11
CCSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1Cl	REAL300000558140	0	35	-2.0	-93.23	351.47	6.99	-86.24
CCSC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000558142	0	32	-2.0	-101.23	334.00	6.35	-94.88
CCSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1Cl	REAL300000558143	1	41	-2.0	-105.94	372.49	9.03	-96.91
CCSC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000558144	0	35	-2.0	-100.01	345.36	6.45	-93.56
CCSC1=CC=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300000558145	0	35	-2.0	-103.55	350.95	7.21	-96.34
CCSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000558146	1	35	-2.0	-92.68	346.88	7.36	-85.32
CCSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000558147	0	32	-2.0	-94.78	334.62	6.45	-88.33
CCSC1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000558148	1	35	-2.0	-96.42	348.75	7.39	-89.03
CCSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000558149	0	35	-2.0	-92.42	347.81	7.39	-85.03
CCSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000558150	0	36	-2.0	-106.32	352.06	5.03	-101.29
CCSC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1Cl	REAL300000558150	1	36	-2.0	-105.88	351.23	5.82	-100.06
CCSC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000558151	1	38	-2.0	-96.82	364.53	8.09	-88.73
CCSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000558152	1	38	-2.0	-101.24	352.42	7.96	-93.28
CCSC1=CC=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558154	1	41	-2.0	-108.48	375.24	8.39	-100.09
CCSC1=CC=C([N-]S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558156	1	41	-2.0	-107.28	376.58	8.51	-98.77
CCSC1=CC=C([N-]S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558157	0	39	-2.0	-105.09	370.38	7.54	-97.55
CCSC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1Cl	REAL300000558158	1	38	-2.0	-93.26	358.35	7.86	-85.40
CCSC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000558159	0	35	-2.0	-108.95	345.97	7.34	-101.61
CCSC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000558160	0	34	-2.0	-99.29	339.34	5.37	-93.92
CCSC1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000558161	0	32	-2.0	-93.62	342.50	6.30	-87.32
CCSC1=CC=C([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000558162	0	38	-2.0	-99.99	364.48	7.30	-92.69
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1F	REAL300000558163	1	44	-2.0	-84.37	387.40	5.54	-78.83
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)C)=C1	REAL300000558165	0	45	-2.0	-101.67	390.55	8.04	-93.63
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000558167	1	37	-2.0	-102.56	330.93	6.95	-95.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)C)=C1	REAL300000558168	0	41	-2.0	-108.18	359.07	6.74	-101.44
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=CC=C1F	REAL300000558171	0	37	-2.0	-98.50	344.00	7.53	-90.97
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1F	REAL300000558172	1	37	-2.0	-98.49	343.43	7.35	-91.14
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=CC=C1F	REAL300000558174	0	37	-2.0	-99.92	336.40	7.02	-92.90
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1F	REAL300000558175	1	43	-2.0	-89.46	374.50	8.55	-80.91
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1F	REAL300000558176	0	34	-2.0	-96.91	324.11	5.97	-90.94
CC(C)C1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1F	REAL300000558179	1	38	-2.0	-101.04	337.57	6.30	-94.74
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)C)=C2)=C1	REAL300000558181	0	37	-2.0	-93.15	340.04	6.64	-86.51
CC(C)C1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1F	REAL300000558183	1	34	-2.0	-98.41	322.58	5.99	-92.42
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)C)=C1	REAL300000558187	1	46	-2.0	-106.04	384.83	8.97	-97.07
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)C)=C1	REAL300000558189	0	44	-2.0	-108.52	381.36	7.51	-101.01
CC(C)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000558190	0	40	-2.0	-107.43	361.80	7.52	-99.91
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000558190	1	39	-3.0	-176.73	359.33	7.52	-169.21
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000558192	0	37	-2.0	-96.89	333.93	6.09	-90.80
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)C)=C2)=C1	REAL300000558194	0	41	-2.0	-103.55	359.91	6.04	-97.51
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=CC=C1F	REAL300000558196	0	37	-2.0	-95.31	348.53	7.54	-87.77
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)C)=C1	REAL300000558198	1	40	-2.0	-94.38	351.65	7.78	-86.60
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=CC=C1F	REAL300000558199	1	41	-2.0	-88.55	368.22	7.30	-81.25
CC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000558201	1	37	-2.0	-100.34	339.53	6.85	-93.49
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1F	REAL300000558202	0	37	-2.0	-88.11	343.98	7.52	-80.59
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1F	REAL300000558203	1	37	-2.0	-89.97	335.45	7.00	-82.97
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1F	REAL300000558204	0	34	-2.0	-92.00	323.20	6.09	-85.91
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=CC=C1F	REAL300000558205	1	37	-2.0	-93.56	337.33	7.02	-86.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)C)=C2)=C1F	REAL300000558206	0	40	-2.0	-101.27	356.68	7.66	-93.61
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300000558207	0	37	-2.0	-89.69	336.39	7.03	-82.66
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)C)=C1	REAL300000558209	1	40	-2.0	-96.13	360.38	8.16	-87.97
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=CC=C1F	REAL300000558210	1	45	-2.0	-87.19	394.67	8.37	-78.82
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000558211	1	37	-2.0	-91.83	341.74	7.05	-84.78
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1F	REAL300000558212	1	39	-2.0	-87.77	359.11	7.63	-80.14
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=CC=C1F	REAL300000558213	0	38	-2.0	-102.79	340.64	4.67	-98.12
CC(C)C1=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=CC=C1F	REAL300000558213	1	38	-2.0	-100.87	329.64	5.56	-95.31
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1F	REAL300000558214	1	40	-2.0	-94.49	353.11	7.74	-86.75
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=CC=C1F	REAL300000558215	1	37	-2.0	-93.22	351.63	7.49	-85.73
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300000558220	1	39	-2.0	-101.12	357.49	8.04	-93.08
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1F	REAL300000558221	0	37	-2.0	-91.52	342.68	7.08	-84.44
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)C)=C2)C=C1C(=O)[O-]	REAL300000558223	0	40	-2.0	-102.17	356.24	7.64	-94.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)C)=C2)=C1Cl	REAL300000558224	0	40	-2.0	-100.19	362.69	8.09	-92.10
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)C)=C2)=C1	REAL300000558225	0	40	-2.0	-107.13	355.94	7.65	-99.48
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)C)=C1	REAL300000558228	1	40	-2.0	-92.90	361.46	8.22	-84.68
CC1=CC(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)C)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000558229	1	40	-2.0	-100.25	362.15	7.91	-92.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)C)=C2)C=C1C(=O)[O-]	REAL300000558230	1	41	-2.0	-102.29	358.95	7.17	-95.12
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)C)=C2)C=C1C(=O)[O-]	REAL300000558232	1	40	-2.0	-97.10	364.67	8.03	-89.07
CC(C)C1=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=CC=C1F	REAL300000558233	1	46	-2.0	-100.19	380.37	9.09	-91.10
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1F	REAL300000558235	0	42	-2.0	-95.31	374.19	9.15	-86.16
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1F	REAL300000558237	0	39	-2.0	-109.54	354.65	8.80	-100.74
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=CC=C1F	REAL300000558238	0	37	-2.0	-106.39	334.59	6.99	-99.40
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)C)=C2)C=C1C(=O)[O-]	REAL300000558239	1	40	-2.0	-95.23	355.86	7.63	-87.60
CC(C)C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1F	REAL300000558240	1	43	-2.0	-110.74	371.97	9.08	-101.66
CC(C)C1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1F	REAL300000558241	0	36	-2.0	-100.17	327.15	5.08	-95.09
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(F)C(C(C)C)=C1	REAL300000558242	0	41	-2.0	-94.62	359.13	6.75	-87.87
CC(C)C1=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=CC=C1F	REAL300000558243	0	34	-2.0	-90.68	331.07	5.93	-84.75
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC=C1F	REAL300000558244	1	44	-2.0	-97.10	377.05	8.84	-88.26
CC(C)C1=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=CC=C1F	REAL300000558245	1	44	-2.0	-100.04	376.36	8.84	-91.20
CCC1=C(S(=O)(=O)[N-]C2=CC=C(F)C(C(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000558246	0	40	-2.0	-96.83	353.06	6.94	-89.89
CN1C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000558247	0	41	-2.0	-106.49	362.91	5.94	-100.55
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C2CCCC2)=N1	REAL300000558248	0	41	-2.0	-96.47	358.38	5.92	-90.55
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000558249	0	41	-2.0	-109.02	358.38	5.91	-103.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCCC1	REAL300000558250	0	45	-2.0	-114.56	386.54	5.71	-108.85
CN1C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(C2CCCC2)=N1	REAL300000558251	0	45	-2.0	-95.96	389.85	7.20	-88.76
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)C=C1C(=O)[O-]	REAL300000558252	0	44	-2.0	-111.56	378.44	6.56	-105.00
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C(C2CCCC2)=N1	REAL300000558253	0	41	-2.0	-104.56	371.46	6.47	-98.09
CN1C=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000558254	0	41	-2.0	-104.85	370.88	6.30	-98.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)=C1C	REAL300000558255	0	47	-2.0	-111.66	391.49	7.24	-104.42
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(C2CCCC2)=N1	REAL300000558256	0	41	-2.0	-106.16	363.86	5.97	-100.19
CN1C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(C2CCCC2)=N1	REAL300000558257	0	47	-2.0	-95.16	401.96	7.48	-87.68
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C2CCCC2)=N1	REAL300000558258	0	38	-2.0	-103.23	351.58	4.92	-98.31
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCCC1	REAL300000558259	0	44	-2.0	-109.74	373.82	6.69	-103.05
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C2CCCC2)=N1	REAL300000558260	0	45	-2.0	-94.69	389.47	6.18	-88.51
CN1C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000558261	0	42	-2.0	-107.57	365.04	5.25	-102.32
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCCC1	REAL300000558262	0	45	-2.0	-110.32	382.17	4.74	-105.58
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)=C1	REAL300000558263	0	41	-2.0	-99.30	367.53	5.59	-93.71
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)C=C1C(=O)[O-]	REAL300000558264	0	47	-2.0	-111.26	389.42	7.24	-104.02
CN1C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000558265	0	38	-2.0	-104.68	350.04	4.94	-99.74
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)C=C1C(=O)[O-]	REAL300000558266	0	45	-2.0	-114.92	385.66	5.98	-108.94
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCCC1	REAL300000558267	0	50	-2.0	-111.93	412.29	7.91	-104.02
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCCC1	REAL300000558268	0	47	-2.0	-107.79	388.48	7.64	-100.15
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCCC1	REAL300000558269	0	48	-2.0	-115.24	408.83	6.47	-108.77
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000558270	0	43	-3.0	-184.28	386.79	6.47	-177.81
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C(C2CCCC2)=N1	REAL300000558271	0	48	-2.0	-114.04	402.62	7.81	-106.23
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)C=C(C(=O)[O-])O1	REAL300000558272	0	41	-2.0	-102.75	361.40	5.04	-97.71
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)=C1	REAL300000558273	0	45	-2.0	-109.79	387.36	5.00	-104.79
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)=CC=C1OCC(=O)[O-]	REAL300000558274	0	48	-2.0	-95.13	409.52	6.90	-88.23
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCCC1	REAL300000558275	0	44	-2.0	-100.32	379.11	6.72	-93.60
CN1C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(C2CCCC2)=N1	REAL300000558276	0	45	-2.0	-94.13	395.67	6.26	-87.87
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)C=C1C(=O)[O-]	REAL300000558277	0	48	-2.0	-115.52	407.51	6.89	-108.63
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)C=C(C(=O)[O-])S1	REAL300000558278	0	41	-2.0	-106.00	368.08	5.79	-100.21
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(C2CCCC2)=N1	REAL300000558279	0	41	-2.0	-94.06	371.44	6.47	-87.59
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(C2CCCC2)=N1	REAL300000558280	0	41	-2.0	-95.93	362.90	5.95	-89.98
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C2CCCC2)=N1	REAL300000558281	0	38	-2.0	-98.12	350.64	5.04	-93.08
CN1C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000558282	0	41	-2.0	-99.82	364.79	5.98	-93.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)=C1F	REAL300000558283	0	44	-2.0	-107.66	384.14	6.61	-101.05
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(C2CCCC2)=N1	REAL300000558284	0	41	-2.0	-95.87	363.85	5.98	-89.89
CN1C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(C2CCCC2)=N1	REAL300000558285	0	41	-2.0	-94.04	370.87	6.31	-87.73
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCCC1	REAL300000558286	0	44	-2.0	-102.04	387.85	7.11	-94.93
CN1C=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000558287	0	41	-2.0	-97.97	369.22	6.00	-91.97
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000558288	0	43	-2.0	-93.96	386.56	6.58	-87.38
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(C2CCCC2)=N1	REAL300000558289	0	42	-2.0	-108.49	368.10	3.63	-104.86
CN1C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C2CCCC2)=N1	REAL300000558290	0	44	-2.0	-99.92	380.57	6.67	-93.25
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCCC1	REAL300000558291	0	44	-2.0	-105.10	368.42	6.54	-98.56
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)=CC(C(=O)[O-])=C1F	REAL300000558292	0	44	-2.0	-107.86	383.21	6.56	-101.30
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCCC1	REAL300000558293	0	44	-2.0	-96.57	373.80	6.68	-89.89
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)=CC(C(=O)[O-])=C1C	REAL300000558294	0	47	-2.0	-113.40	395.87	7.11	-106.29
CN1C=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000558295	0	43	-2.0	-107.12	384.93	7.01	-100.11
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C2CCCC2)=N1	REAL300000558296	0	41	-2.0	-97.84	370.13	6.04	-91.80
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)C(C)=C1C(=O)[O-]	REAL300000558297	0	47	-2.0	-109.28	392.86	7.30	-101.98
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)C=C1C(=O)[O-]	REAL300000558298	0	44	-2.0	-108.48	383.70	6.61	-101.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)=C1Cl	REAL300000558299	0	44	-2.0	-106.42	390.15	7.05	-99.37
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)=C1	REAL300000558300	0	44	-2.0	-113.97	383.43	6.60	-107.37
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)C=C1C(=O)[O-]	REAL300000558301	0	47	-2.0	-110.87	392.69	7.10	-103.77
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)C=C1CC(=O)[O-]	REAL300000558302	0	48	-2.0	-111.62	408.84	6.04	-105.58
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCCC1	REAL300000558303	0	44	-2.0	-98.38	384.65	7.08	-91.30
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)=CC(C(=O)[O-])=C1Cl	REAL300000558304	0	44	-2.0	-106.63	389.60	6.87	-99.76
CCN1C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)C=C1C(=O)[O-]	REAL300000558305	0	45	-2.0	-108.86	386.40	6.12	-102.74
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)C=C1C(=O)[O-]	REAL300000558306	0	44	-2.0	-103.53	392.16	6.98	-96.55
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)=CC=C1C(=O)[O-]	REAL300000558307	0	44	-2.0	-96.60	374.38	6.45	-90.15
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCCC1	REAL300000558308	0	44	-2.0	-107.31	377.92	6.74	-100.57
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(C2CCCC2)=N1	REAL300000558309	0	43	-2.0	-116.01	382.12	7.78	-108.23
CN1C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(C2CCCC2)=N1	REAL300000558310	0	41	-2.0	-113.17	362.02	5.93	-107.24
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)C=C1C(=O)[O-]	REAL300000558311	0	44	-2.0	-101.64	383.35	6.59	-95.05
CN1C=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000558312	0	47	-2.0	-117.14	399.41	8.03	-109.11
CN1C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C2CCCC2)=N1	REAL300000558313	0	40	-2.0	-106.68	354.58	4.03	-102.65
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1C1CCCC1	REAL300000558314	0	45	-2.0	-100.75	386.60	5.71	-95.04
CN1C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300000558315	0	38	-2.0	-96.67	358.49	4.88	-91.79
CN1C=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C2CCCC2)=N1	REAL300000558316	0	48	-2.0	-102.97	404.49	7.80	-95.17
CN1C=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C2CCCC2)=N1	REAL300000558317	0	48	-2.0	-105.42	403.82	7.79	-97.63
CCC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2C2CCCC2)C=C(C(=O)[O-])O1	REAL300000558318	0	44	-2.0	-102.52	380.51	5.90	-96.62
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000558319	1	38	-2.0	-101.73	356.20	6.40	-95.33
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000558320	1	38	-2.0	-91.70	351.64	6.38	-85.32
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000558321	1	38	-2.0	-104.07	351.66	6.36	-97.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(OC(C)C)=C1	REAL300000558322	0	42	-2.0	-110.09	379.83	6.17	-103.92
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000558323	1	42	-2.0	-91.69	383.11	7.67	-84.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000558324	1	41	-2.0	-105.25	367.79	6.92	-98.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(OC(C)C)=C2)=C1C	REAL300000558325	1	44	-2.0	-107.76	384.37	7.73	-100.03
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000558326	0	38	-2.0	-101.66	357.17	6.44	-95.22
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000558327	1	44	-2.0	-90.98	395.24	7.96	-83.02
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000558328	0	35	-2.0	-100.29	344.83	5.39	-94.90
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(OC(C)C)=C1	REAL300000558329	1	41	-2.0	-105.63	367.12	7.17	-98.46
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000558330	1	42	-2.0	-90.28	382.74	6.66	-83.62
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000558331	0	39	-2.0	-102.46	358.30	5.74	-96.72
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(OC(C)C)=C1	REAL300000558332	1	42	-2.0	-106.34	375.48	5.21	-101.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC(Cl)=CC(OC(C)C)=C2)=C1	REAL300000558333	0	38	-2.0	-94.57	360.80	6.06	-88.51
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000558334	1	44	-2.0	-106.71	383.08	7.71	-99.00
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000558335	0	35	-2.0	-99.84	343.30	5.42	-94.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000558336	1	42	-2.0	-109.88	378.94	6.44	-103.44
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(OC(C)C)=C1	REAL300000558337	1	44	-2.0	-105.35	381.79	8.11	-97.24
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(OC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000558338	0	38	-2.0	-98.41	354.69	5.52	-92.89
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC(Cl)=CC(OC(C)C)=C2)=C1	REAL300000558339	0	42	-2.0	-107.03	380.64	5.46	-101.57
CC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(OC(C)C)=C2)C=C(C(=O)[O-])S1	REAL300000558340	0	38	-2.0	-102.05	360.29	6.27	-95.78
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000558341	1	38	-2.0	-91.27	356.18	6.41	-84.86
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000558342	0	35	-2.0	-93.31	343.96	5.50	-87.81
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000558343	0	38	-2.0	-95.11	358.09	6.45	-88.66
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000558344	0	38	-2.0	-92.98	357.11	6.44	-86.54
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000558345	0	39	-2.0	-104.61	361.41	4.08	-100.53
CC(C)OC1=CC(Cl)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000558345	1	39	-2.0	-103.35	360.59	4.87	-98.48
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000558346	1	41	-2.0	-95.53	373.83	7.16	-88.37
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(OC(C)C)=C1	REAL300000558347	1	41	-2.0	-102.44	362.24	7.04	-95.40
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(OC(C)C)=C1	REAL300000558348	1	41	-2.0	-93.94	367.07	7.15	-86.79
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(OC(C)C)=C2)=CC(C(=O)[O-])=C1C	REAL300000558349	1	44	-2.0	-108.55	389.08	7.58	-100.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(OC(C)C)=C2)C(C)=C1C(=O)[O-]	REAL300000558350	1	44	-2.0	-104.33	385.60	7.77	-96.56
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000558351	1	44	-2.0	-105.98	386.41	7.60	-98.38
CCN1C=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300000558352	0	42	-2.0	-103.89	379.69	6.60	-97.29
CC1=CC(S(=O)(=O)[N-]C2=CC(Cl)=CC(OC(C)C)=C2)=CC=C1C(=O)[O-]	REAL300000558353	1	41	-2.0	-91.91	367.64	6.92	-84.99
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000558354	0	38	-2.0	-107.71	355.36	6.42	-101.29
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000558355	0	37	-2.0	-101.71	347.88	4.51	-97.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(Cl)=CC(OC(C)C)=C1	REAL300000558356	0	42	-2.0	-96.08	379.89	6.17	-89.91
CC(C)OC1=CC(Cl)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000558357	0	35	-2.0	-92.12	351.84	5.36	-86.76
CCC1=C(S(=O)(=O)[N-]C2=CC(Cl)=CC(OC(C)C)=C2)C=C(C(=O)[O-])O1	REAL300000558358	0	41	-2.0	-98.25	373.79	6.37	-91.88
N#CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1OC1CCCC1	REAL300000558360	1	43	-2.0	-100.27	380.44	7.62	-92.65
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1OC1CCCC1	REAL300000558361	0	40	-2.0	-94.99	373.62	6.63	-88.36
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(C#N)=C2)C=C1C(=O)[O-]	REAL300000558362	1	44	-2.0	-99.14	386.60	6.98	-92.16
N#CC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1OC1CCCC1	REAL300000558363	1	40	-2.0	-96.47	372.09	6.65	-89.82
CC1=C(S(=O)(=O)[N-]C2=CC=C(OC3CCCC3)C(C#N)=C2)C=C(C(=O)[O-])O1	REAL300000558364	0	43	-2.0	-94.82	383.45	6.75	-88.07
N#CC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1OC1CCCC1	REAL300000558365	0	40	-2.0	-90.45	372.71	6.74	-83.71
N#CC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1OC1CCCC1	REAL300000558366	0	42	-2.0	-97.15	376.94	5.68	-91.47
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1Cl	REAL300000558367	0	37	-2.0	-83.97	352.74	2.83	-81.14
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558368	0	30	-2.0	-99.41	300.81	4.28	-95.13
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(Cl)=C1	REAL300000558369	0	38	-2.0	-100.99	355.90	5.34	-95.65
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300000558370	0	30	-2.0	-89.73	296.27	4.26	-85.47
CC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000558371	0	30	-2.0	-101.65	296.28	4.25	-97.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(Cl)=C1	REAL300000558372	0	34	-2.0	-107.09	324.42	4.05	-103.04
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1Cl	REAL300000558373	0	34	-2.0	-89.81	327.73	5.56	-84.25
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000558374	0	33	-2.0	-102.77	312.29	4.78	-97.99
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1Cl	REAL300000558375	0	30	-2.0	-97.58	309.34	4.82	-92.76
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558376	0	30	-2.0	-97.68	308.79	4.65	-93.03
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C=C1Cl	REAL300000558377	0	30	-2.0	-93.38	321.85	5.20	-88.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)=C1C	REAL300000558378	0	36	-2.0	-104.75	328.67	5.57	-99.18
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1Cl	REAL300000558379	0	30	-2.0	-98.94	301.75	4.32	-94.62
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300000558380	0	36	-2.0	-88.99	339.86	5.84	-83.15
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1Cl	REAL300000558381	0	27	-2.0	-96.14	289.46	3.28	-92.86
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(Cl)=C1	REAL300000558382	0	33	-2.0	-102.97	311.71	5.04	-97.93
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1Cl	REAL300000558383	1	34	-2.0	-88.42	327.35	4.53	-83.89
CC1=NC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558384	0	31	-2.0	-100.10	302.92	3.61	-96.49
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(Cl)=C1	REAL300000558385	1	34	-2.0	-103.43	320.48	3.08	-100.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)=C1	REAL300000558386	0	30	-2.0	-92.35	305.38	3.93	-88.42
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000558387	1	36	-2.0	-104.42	327.34	5.59	-98.83
CC1=NC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1Cl	REAL300000558388	0	27	-2.0	-97.64	287.93	3.29	-94.35
COC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)=CC(C(=O)[O-])=C1OC	REAL300000558389	0	38	-2.0	-101.95	354.58	4.08	-97.87
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000558390	1	34	-2.0	-107.52	323.56	4.32	-103.20
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=C1Cl	REAL300000558391	0	40	-2.0	-106.53	351.50	6.88	-99.65
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1Cl	REAL300000558392	0	39	-2.0	-105.04	350.17	6.27	-98.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(Cl)=C1	REAL300000558393	0	36	-2.0	-101.63	326.39	5.98	-95.65
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(Cl)=C1	REAL300000558394	0	37	-2.0	-107.03	346.70	4.81	-102.22
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000558395	0	32	-3.0	-175.24	324.68	4.83	-170.41
CC1=NC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000558395	1	33	-2.0	-107.69	327.07	4.82	-102.87
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1Cl	REAL300000558396	0	37	-2.0	-106.81	340.52	6.16	-100.65
CC1=C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000558397	0	30	-2.0	-96.08	299.28	3.40	-92.68
CC1=NC=C([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558398	0	36	-2.0	-106.30	338.45	4.04	-102.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)=C1	REAL300000558399	0	34	-2.0	-102.76	325.26	3.34	-99.42
CC1=NC=C([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)C=C1Cl	REAL300000558400	1	38	-2.0	-89.59	349.91	4.87	-84.72
CC1=NC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558401	0	30	-2.0	-91.50	323.96	5.11	-86.39
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=C1Cl	REAL300000558402	0	30	-2.0	-94.56	313.87	4.85	-89.71
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000558403	0	34	-2.0	-87.09	343.38	5.07	-82.02
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)=CC=C1OCC(=O)[O-]	REAL300000558404	1	37	-2.0	-88.89	347.43	5.24	-83.65
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1Cl	REAL300000558405	0	33	-2.0	-93.69	316.99	5.08	-88.61
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)=CC=C1OCCCC(=O)[O-]	REAL300000558406	1	43	-2.0	-89.17	389.88	6.17	-83.00
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1Cl	REAL300000558407	0	34	-2.0	-88.10	333.57	4.59	-83.51
CCOC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000558408	1	37	-2.0	-108.20	345.42	5.23	-102.97
CC1=C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300000558409	0	30	-2.0	-99.54	304.87	4.16	-95.38
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C=C1Cl	REAL300000558410	0	30	-2.0	-91.43	324.49	5.29	-86.14
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1Cl	REAL300000558411	0	30	-2.0	-87.49	309.32	4.83	-82.66
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1Cl	REAL300000558412	0	30	-2.0	-89.39	300.80	4.30	-85.09
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1Cl	REAL300000558413	0	27	-2.0	-91.23	288.54	3.38	-87.85
CC1=NC=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1Cl	REAL300000558414	0	30	-2.0	-92.70	302.68	4.32	-88.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)=C1F	REAL300000558415	0	33	-2.0	-100.23	322.02	4.95	-95.28
COC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000558416	0	34	-2.0	-92.04	336.58	4.88	-87.16
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300000558417	0	30	-2.0	-88.97	301.73	4.34	-84.63
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1Cl	REAL300000558418	0	30	-2.0	-87.34	308.77	4.66	-82.68
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1Cl	REAL300000558419	0	33	-2.0	-95.29	325.72	5.46	-89.83
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=C1Cl	REAL300000558420	0	38	-2.0	-86.78	360.02	5.67	-81.11
CC1=NC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558421	0	30	-2.0	-91.19	307.10	4.35	-86.84
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1Cl	REAL300000558422	0	32	-2.0	-87.09	324.47	4.92	-82.17
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1Cl	REAL300000558423	0	31	-2.0	-101.95	305.97	1.97	-99.98
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1Cl	REAL300000558424	0	33	-2.0	-93.32	318.46	5.03	-88.29
CC1=NC=C([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558425	0	30	-2.0	-92.52	316.99	4.78	-87.74
CC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000558426	0	33	-2.0	-97.86	306.34	4.88	-92.98
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)=CC(C(=O)[O-])=C1F	REAL300000558427	0	33	-2.0	-100.63	321.12	4.90	-95.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C)C(Cl)=C1	REAL300000558428	1	33	-2.0	-90.15	311.69	5.04	-85.11
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)=CC(C(=O)[O-])=C1C	REAL300000558429	0	36	-2.0	-104.51	329.16	5.31	-99.20
CC1=NC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1Cl	REAL300000558430	0	32	-2.0	-100.58	322.85	5.33	-95.25
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1Cl	REAL300000558431	0	30	-2.0	-90.73	308.03	4.38	-86.35
CC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)C(C)=C1C(=O)[O-]	REAL300000558432	1	36	-2.0	-102.10	330.75	5.64	-96.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000558433	0	33	-2.0	-99.96	317.75	4.86	-95.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)=C1Cl	REAL300000558434	0	33	-2.0	-99.24	328.05	5.39	-93.85
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)=C1	REAL300000558435	0	33	-2.0	-106.04	321.28	4.96	-101.08
CCC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000558436	0	36	-2.0	-103.37	330.56	5.43	-97.94
COC1=CC=C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)C=C1CC(=O)[O-]	REAL300000558437	1	37	-2.0	-103.65	346.75	4.38	-99.27
CC1=NC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1Cl	REAL300000558438	0	33	-2.0	-91.18	323.06	5.40	-85.78
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C=C1Cl	REAL300000558439	0	33	-2.0	-86.50	326.39	5.06	-81.44
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000558440	0	33	-2.0	-99.27	327.51	5.20	-94.07
CCN1C=C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000558441	0	34	-2.0	-101.26	324.29	4.48	-96.78
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)C(C)=C1CC(=O)[O-]	REAL300000558442	1	42	-2.0	-101.93	361.42	7.12	-94.81
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)C=C1Cl	REAL300000558443	0	30	-2.0	-89.60	321.87	4.82	-84.78
CC1=NC=C([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558444	0	33	-2.0	-96.15	330.01	5.32	-90.83
CC1=NC=C([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300000558445	0	39	-2.0	-99.54	345.74	6.39	-93.15
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)C=C1C(=O)[O-]	REAL300000558446	0	34	-2.0	-103.14	336.60	4.90	-98.24
CC1=CC(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300000558447	0	33	-2.0	-89.78	312.28	4.80	-84.98
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=C1Cl	REAL300000558448	0	35	-2.0	-94.70	339.54	6.44	-88.26
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN=C(C)C(Cl)=C1	REAL300000558449	1	33	-2.0	-100.52	316.23	5.08	-95.44
CC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1Cl	REAL300000558450	0	32	-2.0	-108.78	320.03	6.11	-102.67
CC1=NC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1Cl	REAL300000558451	0	30	-2.0	-105.41	299.89	4.28	-101.13
CC1=NC=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1Cl	REAL300000558452	0	33	-2.0	-94.41	321.21	4.93	-89.48
CC1=NC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1Cl	REAL300000558453	0	36	-2.0	-109.66	337.31	6.38	-103.28
CC1=NC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1Cl	REAL300000558454	0	29	-2.0	-98.97	293.26	2.32	-96.65
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN=C(C)C(Cl)=C1	REAL300000558455	0	34	-2.0	-93.80	324.47	4.06	-89.74
CC1=NC=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1Cl	REAL300000558456	0	27	-2.0	-89.91	296.42	3.23	-86.68
CC1=NC=C([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1Cl	REAL300000558457	0	37	-2.0	-96.35	342.40	6.13	-90.22
CC1=NC=C([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1Cl	REAL300000558458	0	37	-2.0	-99.11	341.74	6.13	-92.98
CCC1=C(S(=O)(=O)[N-]C2=CN=C(C)C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300000558459	0	33	-2.0	-96.08	318.40	4.25	-91.83
COC(=O)CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C21	REAL300000558460	1	41	-2.0	-109.16	375.88	7.94	-101.22
COC(=O)CN1C=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C21	REAL300000558461	1	41	-2.0	-123.40	375.91	7.93	-115.47
COC(=O)CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C21	REAL300000558462	0	38	-2.0	-117.09	369.09	6.95	-110.14
COC(=O)CN1C=CC2=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=CC=C21	REAL300000558463	0	42	-2.0	-121.26	382.56	7.28	-113.98
COC(=O)CN1C=CC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C21	REAL300000558464	0	38	-2.0	-117.31	367.55	6.97	-110.34
COC(=O)CN1C=CC2=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=CC=C21	REAL300000558465	0	41	-2.0	-116.03	378.91	7.07	-108.96
COC(=O)CN1C=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C21	REAL300000558466	0	38	-2.0	-110.83	368.16	7.05	-103.78
COC(=O)CN1C=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C21	REAL300000558467	0	40	-2.0	-119.73	372.89	6.00	-113.73
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1C1=CC=CC=C1	REAL300000558471	0	39	-2.0	-104.58	367.05	7.07	-97.51
COC1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1C1=CC=CC=C1	REAL300000558473	1	43	-2.0	-108.84	380.53	7.41	-101.43
COC1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1C1=CC=CC=C1	REAL300000558474	1	39	-2.0	-106.01	365.52	7.09	-98.92
COC1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1C1=CC=CC=C1	REAL300000558475	0	42	-2.0	-103.97	376.87	7.19	-96.78
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1C1=CC=CC=C1	REAL300000558476	0	39	-2.0	-99.43	366.15	7.19	-92.24
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1C1=CC=CC=C1	REAL300000558477	0	43	-2.0	-109.81	383.59	5.77	-104.04
COC1=CC=C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1C1=CC=CC=C1	REAL300000558477	1	43	-2.0	-106.71	372.60	6.65	-100.06
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1C1=CC=CC=C1	REAL300000558482	0	41	-2.0	-108.15	370.10	6.19	-101.96
COCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000558483	0	39	-2.0	-101.16	367.10	5.06	-96.10
COCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000558484	0	39	-2.0	-113.71	367.12	5.06	-108.65
COCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000558485	0	42	-2.0	-116.07	383.13	5.59	-110.48
COCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000558486	0	36	-2.0	-107.89	360.31	4.08	-103.81
COCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000558487	0	42	-2.0	-113.98	382.55	5.83	-108.15
COCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000558488	0	40	-2.0	-112.04	373.77	4.41	-107.63
COCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000558489	0	36	-2.0	-110.12	358.77	4.09	-106.03
COCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000558490	0	39	-2.0	-106.99	370.13	4.20	-102.79
COCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000558491	0	36	-2.0	-103.28	359.37	4.18	-99.10
COCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000558492	0	42	-2.0	-104.80	389.30	5.84	-98.96
COCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000558493	0	42	-2.0	-110.81	377.16	5.70	-105.11
COCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000558494	0	42	-2.0	-100.75	382.54	5.83	-94.92
COCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000558495	0	42	-2.0	-101.31	383.13	5.60	-95.71
COCCOC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000558496	0	38	-2.0	-111.13	364.09	3.12	-108.01
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1S(N)(=O)=O	REAL300000558497	1	37	-2.0	-95.38	348.04	-0.22	-95.60
COC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1S(N)(=O)=O	REAL300000558498	0	37	-2.0	-107.01	348.11	-0.23	-107.24
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1S(N)(=O)=O	REAL300000558499	0	34	-2.0	-101.32	341.26	-1.23	-102.55
COC1=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=CC=C1S(N)(=O)=O	REAL300000558500	0	38	-2.0	-105.29	354.71	-0.89	-106.18
COC1=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1S(N)(=O)=O	REAL300000558501	0	34	-2.0	-104.08	339.76	-1.20	-105.28
COC1=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1S(N)(=O)=O	REAL300000558502	0	37	-2.0	-101.64	351.14	-1.10	-102.74
COC1=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1S(N)(=O)=O	REAL300000558503	0	34	-2.0	-97.12	340.33	-1.10	-98.22
COC1=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1S(N)(=O)=O	REAL300000558504	0	36	-2.0	-104.69	345.04	-2.17	-106.86
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000558505	1	41	-2.0	-89.11	376.94	4.26	-84.85
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000558506	1	34	-2.0	-105.37	325.00	5.70	-99.67
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)=C1	REAL300000558507	0	42	-2.0	-105.62	380.08	6.77	-98.85
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000558508	1	34	-2.0	-95.69	320.46	5.68	-90.01
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000558509	1	34	-2.0	-107.77	320.46	5.67	-102.10
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000558510	0	38	-2.0	-112.31	348.60	5.47	-106.84
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000558511	1	38	-2.0	-95.08	351.93	6.96	-88.12
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000558512	1	37	-2.0	-108.95	336.48	6.20	-102.75
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000558513	0	34	-2.0	-102.72	333.53	6.24	-96.48
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000558514	1	34	-2.0	-103.68	332.98	6.06	-97.62
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000558515	1	40	-2.0	-109.90	353.14	7.02	-102.88
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000558516	0	34	-2.0	-104.34	325.94	5.73	-98.61
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000558517	1	40	-2.0	-94.07	364.04	7.25	-86.82
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000558518	0	31	-2.0	-102.28	313.64	4.68	-97.60
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000558519	1	37	-2.0	-107.83	335.89	6.46	-101.37
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000558520	1	38	-2.0	-93.81	351.54	5.94	-87.87
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000558521	0	35	-2.0	-106.35	327.11	5.02	-101.33
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000558523	0	34	-2.0	-98.44	329.57	5.35	-93.09
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000558524	1	40	-2.0	-109.29	351.53	7.02	-102.27
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000558525	0	31	-2.0	-103.62	312.11	4.70	-98.92
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000558526	1	42	-2.0	-108.09	378.80	5.48	-102.61
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000558527	1	38	-2.0	-113.69	347.75	5.74	-107.95
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000558528	1	44	-2.0	-111.50	375.71	8.30	-103.20
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=C1	REAL300000558529	1	43	-2.0	-109.80	374.36	7.68	-102.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)OC)=C1	REAL300000558530	1	40	-2.0	-105.99	350.63	7.39	-98.60
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)=C1	REAL300000558531	0	41	-2.0	-111.58	370.89	6.23	-105.35
COC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000558532	0	37	-2.0	-116.99	355.57	6.09	-110.90
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000558532	1	36	-3.0	-183.55	348.87	6.23	-177.32
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000558533	1	41	-2.0	-111.88	364.71	7.56	-104.32
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000558534	0	34	-2.0	-101.34	323.50	4.81	-96.53
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000558535	1	40	-2.0	-112.65	362.64	5.44	-107.21
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000558536	0	38	-2.0	-110.07	349.38	4.77	-105.30
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=C1	REAL300000558537	1	42	-2.0	-95.03	374.09	6.28	-88.75
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000558538	0	34	-2.0	-99.59	338.05	6.26	-93.33
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000558539	1	38	-2.0	-92.39	367.57	6.49	-85.90
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300000558540	1	41	-2.0	-94.29	371.62	6.66	-87.63
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000558541	1	37	-2.0	-98.68	341.17	6.49	-92.19
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000558542	1	38	-2.0	-93.41	357.76	6.02	-87.39
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000558543	1	41	-2.0	-114.36	369.61	6.65	-107.71
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000558544	0	34	-2.0	-104.30	330.15	5.56	-98.74
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000558545	0	34	-2.0	-93.32	333.51	6.23	-87.09
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000558546	1	34	-2.0	-95.32	324.98	5.71	-89.61
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000558547	0	31	-2.0	-97.27	312.73	4.79	-92.48
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000558548	1	34	-2.0	-98.82	326.87	5.74	-93.08
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000558549	0	37	-2.0	-105.71	346.22	6.37	-99.34
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300000558550	0	38	-2.0	-98.08	360.77	6.30	-91.78
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000558551	0	34	-2.0	-95.19	325.92	5.74	-89.45
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000558552	1	34	-2.0	-93.32	332.96	6.07	-87.25
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300000558553	1	37	-2.0	-100.32	349.90	6.88	-93.44
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000558554	1	42	-2.0	-91.81	384.20	7.08	-84.73
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000558555	1	34	-2.0	-97.10	331.29	5.76	-91.34
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000558556	0	36	-2.0	-92.98	348.65	6.33	-86.65
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000558557	0	35	-2.0	-106.31	330.16	3.40	-102.91
COC(=O)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000558557	1	35	-2.0	-106.88	329.28	4.25	-102.63
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000558558	1	37	-2.0	-98.48	342.65	6.44	-92.04
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000558559	1	34	-2.0	-98.48	341.17	6.20	-92.28
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000558560	1	37	-2.0	-104.84	330.52	6.31	-98.53
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000558561	1	37	-2.0	-106.80	345.29	6.32	-100.48
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000558562	1	37	-2.0	-95.79	335.87	6.44	-89.35
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000558563	1	40	-2.0	-110.84	353.35	6.74	-104.10
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000558564	0	36	-2.0	-106.53	347.04	6.77	-99.76
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000558565	0	34	-2.0	-96.30	332.22	5.80	-90.50
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000558566	1	40	-2.0	-109.32	353.85	7.08	-102.24
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000558567	0	37	-2.0	-106.62	345.78	6.37	-100.25
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=C1	REAL300000558568	0	37	-2.0	-104.39	352.22	6.81	-97.58
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000558569	0	37	-2.0	-113.60	345.50	6.36	-107.24
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000558570	1	40	-2.0	-109.59	354.74	6.86	-102.73
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)=C1	REAL300000558571	1	41	-2.0	-108.73	370.94	5.80	-102.93
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=C1	REAL300000558572	1	37	-2.0	-97.99	346.72	6.84	-91.15
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000558573	1	37	-2.0	-105.49	351.68	6.64	-98.85
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000558574	0	38	-2.0	-107.59	348.59	5.88	-101.71
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000558576	1	37	-2.0	-101.13	350.34	6.64	-94.49
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000558577	0	43	-2.0	-104.29	369.90	7.80	-96.49
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300000558578	0	38	-2.0	-108.34	360.78	6.30	-102.04
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000558579	1	37	-2.0	-95.83	336.47	6.21	-89.62
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000558580	0	39	-2.0	-101.50	363.73	7.85	-93.65
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000558581	1	37	-2.0	-105.60	340.00	6.51	-99.09
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000558582	0	36	-2.0	-116.06	344.19	7.53	-108.53
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000558583	0	34	-2.0	-112.84	324.12	5.70	-107.14
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000558584	1	37	-2.0	-99.51	341.64	6.24	-93.27
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000558585	1	40	-2.0	-116.10	361.50	7.79	-108.31
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000558586	0	33	-2.0	-103.98	317.45	3.72	-100.26
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000558587	0	38	-2.0	-99.76	348.66	5.47	-94.29
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000558588	0	31	-2.0	-95.51	320.61	4.64	-90.87
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000558589	1	41	-2.0	-101.67	366.58	7.56	-94.11
COC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000558590	1	41	-2.0	-106.59	365.90	7.55	-99.04
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000558591	0	37	-2.0	-101.01	342.59	5.65	-95.36
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)CC1	REAL300000558592	1	41	-2.0	-105.30	368.52	7.65	-97.65
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300000558594	1	41	-2.0	-107.91	363.99	7.62	-100.29
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)CC1	REAL300000558596	0	41	-2.0	-105.15	369.46	7.69	-97.46
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)CC1	REAL300000558597	0	38	-2.0	-102.30	357.16	6.65	-95.65
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2)CC1	REAL300000558598	1	44	-2.0	-108.87	379.41	8.42	-100.45
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)CC1	REAL300000558599	1	42	-2.0	-106.37	370.64	6.99	-99.38
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=C2)CC1	REAL300000558600	0	41	-2.0	-98.69	373.10	7.31	-91.38
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)CC1	REAL300000558601	0	38	-2.0	-104.08	355.64	6.67	-97.41
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=C2)CC1	REAL300000558602	0	41	-2.0	-102.30	366.98	6.77	-95.53
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=C2)CC1	REAL300000558603	1	41	-2.0	-105.21	373.67	7.52	-97.69
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)CC1	REAL300000558604	1	41	-2.0	-95.36	368.52	7.67	-87.69
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)CC1	REAL300000558605	0	38	-2.0	-97.46	356.26	6.75	-90.71
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300000558606	1	41	-2.0	-98.82	370.40	7.70	-91.12
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)CC1	REAL300000558607	0	41	-2.0	-95.26	369.44	7.71	-87.55
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)CC1	REAL300000558608	0	42	-2.0	-107.69	373.69	5.34	-102.35
COC(=O)C1(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)CC1	REAL300000558608	1	42	-2.0	-105.00	372.90	6.14	-98.86
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)CC1	REAL300000558609	1	44	-2.0	-100.95	386.14	8.42	-92.53
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2)CC1	REAL300000558610	1	44	-2.0	-105.67	377.80	8.37	-97.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3(C(=O)OC)CC3)C=C2)C=C1C(=O)[O-]	REAL300000558612	1	45	-2.0	-107.69	392.01	7.85	-99.84
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)CC1	REAL300000558614	0	41	-2.0	-112.57	367.64	7.67	-104.90
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)CC1	REAL300000558615	0	40	-2.0	-106.03	360.20	5.76	-100.27
COC(=O)C1(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)CC1	REAL300000558616	0	38	-2.0	-95.80	364.12	6.62	-89.18
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3(C(=O)OC)CC3)C=C2)C=C(C(=O)[O-])O1	REAL300000558617	0	44	-2.0	-102.23	386.11	7.62	-94.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=CC=C1F	REAL300000558618	0	36	-2.0	-111.67	347.60	3.85	-107.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1	REAL300000558619	0	36	-2.0	-101.78	343.05	3.84	-97.94
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1	REAL300000558620	0	36	-2.0	-114.13	343.07	3.82	-110.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=NC=CC=N2)N=C1	REAL300000558621	0	40	-2.0	-120.05	371.21	3.63	-116.42
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1	REAL300000558622	0	40	-2.0	-101.45	374.52	5.12	-96.33
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000558623	0	39	-2.0	-115.26	359.09	4.35	-110.91
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1	REAL300000558624	0	36	-2.0	-110.15	356.14	4.39	-105.76
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=CC=C1Cl	REAL300000558625	0	36	-2.0	-110.02	355.57	4.21	-105.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1C	REAL300000558626	0	42	-2.0	-117.48	375.46	5.14	-112.34
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1	REAL300000558627	0	36	-2.0	-111.59	348.55	3.88	-107.71
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1	REAL300000558628	0	42	-2.0	-100.77	386.63	5.41	-95.36
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1	REAL300000558629	0	33	-2.0	-108.42	336.25	2.85	-105.57
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=NC=CC=N2)N=C1	REAL300000558630	0	39	-2.0	-115.62	358.50	4.61	-111.01
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1	REAL300000558631	0	40	-2.0	-100.15	374.14	4.10	-96.05
CN1C=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000558632	0	37	-2.0	-112.58	349.71	3.18	-109.40
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=NC=CC=N2)N=C1	REAL300000558633	0	40	-2.0	-116.03	367.27	2.64	-113.39
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1	REAL300000558634	0	36	-2.0	-104.50	352.19	3.50	-101.00
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000558635	0	42	-2.0	-116.75	374.53	5.14	-111.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=CS1	REAL300000558636	0	33	-2.0	-109.81	334.72	2.86	-106.95
COC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000558637	0	40	-2.0	-120.05	370.35	3.90	-116.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=NC=CC=N2)N=C1	REAL300000558638	0	42	-2.0	-114.02	373.21	5.53	-108.49
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1	REAL300000558639	0	43	-2.0	-119.71	387.32	5.72	-113.99
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C(C(=O)[O-])O1	REAL300000558640	0	36	-2.0	-108.35	346.08	2.97	-105.38
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1	REAL300000558641	0	40	-2.0	-115.09	372.05	2.92	-112.17
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=NC=CC=N2)N=C1	REAL300000558642	0	39	-2.0	-106.03	363.78	4.64	-101.39
CC1=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C(C(=O)[O-])S1	REAL300000558643	0	36	-2.0	-111.75	352.76	3.71	-108.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C(Cl)=C1	REAL300000558644	0	36	-2.0	-99.37	356.12	4.39	-94.98
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1F	REAL300000558645	0	36	-2.0	-101.26	347.60	3.87	-97.39
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)S1	REAL300000558646	0	33	-2.0	-103.34	335.34	2.95	-100.39
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1	REAL300000558647	0	36	-2.0	-105.03	349.47	3.88	-101.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1F	REAL300000558648	0	39	-2.0	-113.00	368.83	4.52	-108.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C(F)=C1	REAL300000558649	0	36	-2.0	-101.07	348.53	3.90	-97.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1Cl	REAL300000558650	0	36	-2.0	-99.33	355.57	4.22	-95.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=CC(F)=C1F	REAL300000558651	0	36	-2.0	-103.26	353.89	3.92	-99.34
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1	REAL300000558652	0	37	-2.0	-114.66	352.78	1.54	-113.12
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1	REAL300000558653	0	39	-2.0	-105.50	365.24	4.60	-100.90
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(CC2=NC=CC=N2)N=C1	REAL300000558654	0	39	-2.0	-110.03	353.14	4.45	-105.58
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=CC(C(=O)[O-])=C1F	REAL300000558655	0	39	-2.0	-113.01	367.90	4.47	-108.54
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2=NC=CC=N2)N=C1	REAL300000558656	0	39	-2.0	-102.16	358.48	4.60	-97.56
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=CC(C(=O)[O-])=C1C	REAL300000558657	0	42	-2.0	-118.49	379.87	4.99	-113.50
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1	REAL300000558658	0	36	-2.0	-103.18	354.82	3.94	-99.24
CC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C(C)=C1C(=O)[O-]	REAL300000558659	0	42	-2.0	-114.15	377.55	5.20	-108.95
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000558660	0	39	-2.0	-112.71	364.55	4.43	-108.28
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1	REAL300000558661	0	39	-2.0	-118.39	368.10	4.51	-113.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000558662	0	42	-2.0	-115.96	377.00	5.00	-110.96
CCN1C=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000558663	0	40	-2.0	-113.85	371.09	4.05	-109.80
CC1=CC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=CC=C1C(=O)[O-]	REAL300000558664	0	39	-2.0	-101.90	359.07	4.37	-97.53
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(CC2=NC=CC=N2)N=C1	REAL300000558665	0	39	-2.0	-112.99	363.02	4.63	-108.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1F	REAL300000558666	0	36	-2.0	-117.62	346.73	3.85	-113.77
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C1C(=O)[O-]	REAL300000558667	0	39	-2.0	-106.78	368.00	4.50	-102.28
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C1	REAL300000558668	0	35	-2.0	-111.73	339.29	1.95	-109.78
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(CC2=NC=CC=N2)N=C1	REAL300000558669	0	40	-2.0	-106.05	371.27	3.63	-102.42
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)=C(Cl)O1	REAL300000558670	0	33	-2.0	-102.12	343.22	2.79	-99.33
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CN(CC4=NC=CC=N4)N=C3)C=C2)CC1	REAL300000558671	0	43	-2.0	-108.51	389.19	5.71	-102.80
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CN(CC4=NC=CC=N4)N=C3)C=C2C1	REAL300000558672	0	43	-2.0	-111.31	388.51	5.72	-105.59
CCC1=C(S(=O)(=O)[N-]C2=CN(CC3=NC=CC=N3)N=C2)C=C(C(=O)[O-])O1	REAL300000558673	0	39	-2.0	-108.35	365.20	3.82	-104.53
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000558674	1	37	-2.0	-102.18	351.86	6.38	-95.80
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300000558675	1	37	-2.0	-92.70	347.32	6.36	-86.34
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300000558676	0	37	-2.0	-104.37	347.34	6.35	-98.02
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300000558677	0	41	-2.0	-111.02	375.48	6.15	-104.87
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1F	REAL300000558678	1	41	-2.0	-92.86	378.77	7.64	-85.22
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000558679	1	40	-2.0	-106.05	363.35	6.88	-99.17
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300000558680	1	43	-2.0	-109.04	380.01	7.70	-101.34
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1F	REAL300000558681	0	37	-2.0	-102.15	352.80	6.41	-95.74
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300000558682	0	43	-2.0	-92.10	390.89	7.94	-84.16
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300000558683	0	34	-2.0	-98.92	340.51	5.37	-93.55
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300000558684	1	40	-2.0	-106.39	362.76	7.14	-99.25
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1F	REAL300000558685	1	41	-2.0	-91.43	378.40	6.63	-84.80
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1F	REAL300000558686	0	38	-2.0	-102.85	353.98	5.71	-97.14
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1F	REAL300000558687	1	41	-2.0	-106.84	371.53	5.17	-101.67
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1F	REAL300000558688	0	37	-2.0	-95.12	356.44	6.04	-89.08
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1F	REAL300000558689	1	43	-2.0	-108.52	378.41	7.70	-100.82
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300000558690	0	34	-2.0	-100.33	338.99	5.39	-94.94
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1F	REAL300000558691	1	41	-2.0	-110.22	374.63	6.42	-103.80
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C)=C(C(=O)OC)C(F)=C1	REAL300000558692	1	43	-2.0	-105.95	377.47	8.08	-97.87
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300000558693	0	37	-2.0	-99.31	350.33	5.50	-93.81
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1F	REAL300000558694	0	41	-2.0	-105.37	376.32	5.45	-99.92
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1F	REAL300000558695	0	40	-2.0	-97.54	368.05	7.17	-90.37
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300000558696	0	37	-2.0	-103.27	357.03	6.23	-97.04
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1F	REAL300000558697	0	37	-2.0	-92.31	351.86	6.39	-85.92
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300000558698	0	34	-2.0	-94.39	339.60	5.48	-88.91
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1F	REAL300000558699	0	37	-2.0	-95.50	353.73	6.42	-89.08
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1F	REAL300000558700	0	40	-2.0	-103.80	373.08	7.05	-96.75
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1F	REAL300000558701	0	37	-2.0	-91.73	352.79	6.42	-85.31
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1F	REAL300000558702	0	38	-2.0	-106.17	357.05	4.05	-102.12
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300000558703	0	40	-2.0	-96.62	369.49	7.13	-89.49
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300000558704	1	40	-2.0	-100.21	357.38	6.99	-93.22
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1F	REAL300000558705	1	40	-2.0	-103.30	372.16	7.00	-96.30
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1F	REAL300000558706	1	40	-2.0	-93.34	362.75	7.12	-86.22
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000558707	1	43	-2.0	-108.57	384.84	7.55	-101.02
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1F	REAL300000558708	1	43	-2.0	-104.41	381.81	7.75	-96.66
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1F	REAL300000558709	0	40	-2.0	-104.84	372.65	7.05	-97.79
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1F	REAL300000558710	0	40	-2.0	-108.18	372.34	7.04	-101.14
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C)=C(C(=O)OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000558711	1	43	-2.0	-106.87	381.30	7.54	-99.33
CCN1C=C(S(=O)(=O)[N-]C2=CC(C)=C(C(=O)OC)C(F)=C2)C=C1C(=O)[O-]	REAL300000558712	0	41	-2.0	-104.02	375.37	6.57	-97.45
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300000558713	1	40	-2.0	-92.75	363.34	6.89	-85.86
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1F	REAL300000558714	1	40	-2.0	-104.01	367.28	7.17	-96.84
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1F	REAL300000558715	0	37	-2.0	-107.59	351.00	6.39	-101.20
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300000558716	0	40	-2.0	-97.71	372.26	7.03	-90.68
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300000558717	0	36	-2.0	-102.45	343.55	4.48	-97.97
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300000558718	0	41	-2.0	-96.82	375.54	6.16	-90.66
COC(=O)C1=C(C)C=C([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1F	REAL300000558719	0	34	-2.0	-93.26	347.48	5.33	-87.93
CCC1=C(S(=O)(=O)[N-]C2=CC(C)=C(C(=O)OC)C(F)=C2)C=C(C(=O)[O-])O1	REAL300000558720	0	40	-2.0	-99.36	369.46	6.35	-93.01
COC(=O)C1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C12	REAL300000558721	1	39	-2.0	-91.25	356.07	6.06	-85.19
COC(=O)C1=NC=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C12	REAL300000558722	1	39	-2.0	-103.14	356.09	6.05	-97.09
COC(=O)C1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C12	REAL300000558723	0	36	-2.0	-97.64	349.27	5.06	-92.58
COC(=O)C1=NC=CC2=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=CC=C12	REAL300000558724	0	40	-2.0	-101.44	362.74	5.39	-96.05
COC(=O)C1=NC=CC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C12	REAL300000558725	0	36	-2.0	-99.05	347.74	5.08	-93.97
COC(=O)C1=NC=CC2=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=CC=C12	REAL300000558726	0	39	-2.0	-97.72	359.10	5.18	-92.54
COC(=O)C1=NC=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C12	REAL300000558727	0	36	-2.0	-92.80	348.35	5.18	-87.62
COC(=O)C1=NC=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C12	REAL300000558728	0	38	-2.0	-100.76	353.07	4.11	-96.65
CCSC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000558729	0	41	-2.0	-93.34	381.03	7.59	-85.75
CCSC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000558730	0	41	-2.0	-105.36	381.04	7.58	-97.78
CCSC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000558731	0	42	-2.0	-103.72	387.69	6.94	-96.78
CCSC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000558732	0	41	-2.0	-99.17	384.04	6.73	-92.44
CCSC1=CC(C(=O)OC)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000558733	0	40	-2.0	-103.08	377.25	5.72	-97.36
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=NN1C	REAL300000558736	1	36	-2.0	-104.85	332.92	4.83	-100.02
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300000558737	1	28	-2.0	-100.75	289.72	4.44	-96.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=NN1C	REAL300000558738	1	32	-2.0	-110.71	301.44	3.54	-107.17
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000558742	1	28	-2.0	-101.20	286.37	4.30	-96.90
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300000558744	1	28	-2.0	-96.89	298.87	4.68	-92.21
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000558746	1	28	-2.0	-102.49	278.77	3.80	-98.69
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000558748	0	25	-2.0	-99.26	266.49	2.77	-96.49
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000558750	1	32	-2.0	-91.91	304.38	4.01	-87.90
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300000558752	1	25	-2.0	-96.73	283.51	3.52	-93.21
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=NN1C	REAL300000558754	1	32	-2.0	-107.45	297.08	2.59	-104.86
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1F	REAL300000558755	1	28	-2.0	-100.34	298.23	4.37	-95.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=C(F)C=NN2C)=C1	REAL300000558756	0	28	-2.0	-95.43	282.41	3.42	-92.01
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(F)C=NN2C)C=C1C(=O)[O-]	REAL300000558757	1	34	-2.0	-109.10	308.75	5.16	-103.94
COC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=NN2C)C=C1C(=O)[O-]	REAL300000558760	1	32	-2.0	-110.86	300.59	3.80	-107.06
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=NN1C	REAL300000558764	1	35	-2.0	-111.03	323.73	4.30	-106.73
CN1N=CC(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000558765	0	31	-2.0	-110.66	298.26	4.05	-106.61
CC1=C(S(=O)(=O)[N-]C2=C(F)C=NN2C)C=C(C(=O)[O-])O1	REAL300000558767	1	28	-2.0	-99.48	276.30	2.88	-96.60
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=C(F)C=NN2C)=C1	REAL300000558769	1	32	-2.0	-105.23	302.22	2.84	-102.39
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC=C2OCC(C(=O)[O-])CC2=C1	REAL300000558770	1	36	-2.0	-92.34	326.21	4.33	-88.01
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000558772	1	28	-2.0	-98.07	290.89	4.33	-93.74
CC1=CC(S(=O)(=O)[N-]C2=C(F)C=NN2C)=CC=C1OCC(=O)[O-]	REAL300000558774	1	35	-2.0	-92.33	324.45	4.72	-87.61
CC1=CC(S(=O)(=O)[N-]C2=C(F)C=NN2C)=CC=C1OCCCC(=O)[O-]	REAL300000558777	1	41	-2.0	-93.04	366.91	5.65	-87.39
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=NN2C)C=C1C(=O)[O-]	REAL300000558780	1	35	-2.0	-111.44	322.43	4.72	-106.72
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300000558782	1	28	-2.0	-94.92	301.52	4.76	-90.16
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000558783	1	28	-2.0	-90.56	286.35	4.31	-86.25
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000558786	0	25	-2.0	-94.31	265.56	2.87	-91.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(F)C=NN2C)=C1F	REAL300000558788	1	31	-2.0	-103.63	299.05	4.44	-99.19
COC1=CC(S(=O)(=O)[N-]C2=C(F)C=NN2C)=C(Cl)C=C1C(=O)[O-]	REAL300000558789	1	32	-2.0	-95.02	313.60	4.37	-90.65
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000558790	1	28	-2.0	-91.97	278.75	3.82	-88.15
CN1N=CC(F)=C1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000558798	0	29	-2.0	-107.39	273.96	1.90	-105.49
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(F)C=NN1C	REAL300000558805	1	31	-2.0	-93.27	288.71	4.52	-88.75
CC1=CC(S(=O)(=O)[N-]C2=C(F)C=NN2C)=CC(C(=O)[O-])=C1C	REAL300000558806	1	34	-2.0	-107.73	306.17	4.80	-102.93
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000558807	1	30	-2.0	-103.63	299.87	4.83	-98.80
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000558808	1	28	-2.0	-94.09	285.05	3.86	-90.23
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300000558809	0	25	-2.0	-92.10	285.88	3.44	-88.66
CC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=NN2C)C(C)=C1C(=O)[O-]	REAL300000558810	1	34	-2.0	-105.07	306.69	5.17	-99.90
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(F)C=NN2C)C=C1C(=O)[O-]	REAL300000558811	1	31	-2.0	-104.54	298.61	4.42	-100.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(F)C=NN2C)=C1Cl	REAL300000558812	1	31	-2.0	-102.77	305.06	4.87	-97.90
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=C(F)C=NN2C)=C1	REAL300000558813	1	31	-2.0	-108.90	298.33	4.42	-104.48
COC1=CC=C(S(=O)(=O)[N-]C2=C(F)C=NN2C)C=C1CC(=O)[O-]	REAL300000558816	1	35	-2.0	-106.90	323.76	3.86	-103.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=C(F)C=NN2C)=C1Br	REAL300000558821	1	31	-2.0	-102.41	307.87	5.01	-97.40
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(F)C=NN2C)C(C)=C1CC(=O)[O-]	REAL300000558823	1	40	-2.0	-104.97	338.45	6.61	-98.36
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1Br	REAL300000558824	1	28	-2.0	-93.07	295.40	4.49	-88.58
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(Cl)=C1F	REAL300000558825	1	28	-2.0	-93.03	298.91	4.29	-88.74
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300000558826	1	32	-2.0	-91.79	317.99	4.05	-87.74
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300000558831	0	33	-2.0	-97.60	314.02	5.90	-91.70
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(F)C=NN1C	REAL300000558832	1	31	-2.0	-104.52	292.83	4.60	-99.92
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000558833	0	30	-2.0	-111.40	297.04	5.59	-105.81
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000558834	1	28	-2.0	-108.45	276.94	3.76	-104.69
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000558837	0	27	-2.0	-102.66	270.28	1.80	-100.86
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(F)C=NN1C	REAL300000558838	1	32	-2.0	-96.92	301.50	3.55	-93.37
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000558839	0	25	-2.0	-93.04	273.44	2.73	-90.31
CN1N=CC(F)=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C(=O)[O-])S1	REAL300000558841	0	31	-2.0	-95.74	316.65	0.78	-94.96
CCC1=C(S(=O)(=O)[N-]C2=C(F)C=NN2C)C=C(C(=O)[O-])O1	REAL300000558844	1	31	-2.0	-99.34	295.43	3.73	-95.61
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000558845	1	35	-2.0	-99.74	345.81	6.08	-93.66
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000558846	1	35	-2.0	-90.41	341.26	6.06	-84.35
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000558847	1	35	-2.0	-101.86	341.27	6.05	-95.81
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300000558848	0	39	-2.0	-106.98	369.41	5.85	-101.13
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000558849	1	39	-2.0	-89.93	372.72	7.35	-82.58
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300000558850	1	38	-2.0	-102.86	357.29	6.58	-96.28
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000558851	0	35	-2.0	-97.79	354.34	6.62	-91.17
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000558852	1	35	-2.0	-97.91	353.78	6.44	-91.47
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300000558853	1	41	-2.0	-105.05	373.95	7.41	-97.64
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000558854	0	35	-2.0	-98.96	346.75	6.11	-92.85
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000558855	1	41	-2.0	-88.95	384.84	7.64	-81.31
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000558856	0	32	-2.0	-96.61	334.45	5.06	-91.55
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300000558857	1	38	-2.0	-103.09	356.71	6.84	-96.25
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000558858	1	39	-2.0	-88.62	372.34	6.34	-82.28
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000558859	0	36	-2.0	-100.46	347.92	5.40	-95.06
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)=C1	REAL300000558860	1	39	-2.0	-103.77	365.06	4.89	-98.88
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=C1	REAL300000558861	0	35	-2.0	-92.89	350.38	5.74	-87.15
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300000558862	1	41	-2.0	-104.11	372.74	7.37	-96.74
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000558863	0	32	-2.0	-97.89	332.92	5.09	-92.80
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300000558864	1	39	-2.0	-107.71	368.56	6.12	-101.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC(C#N)=CC(C(=O)OC)=C1	REAL300000558865	1	41	-2.0	-101.64	371.39	7.78	-93.86
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300000558866	0	35	-2.0	-96.59	344.28	5.20	-91.39
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)=C1	REAL300000558867	0	39	-2.0	-103.02	370.26	5.14	-97.88
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=C1	REAL300000558868	1	38	-2.0	-94.08	361.98	6.88	-87.20
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300000558869	0	35	-2.0	-99.73	349.87	5.95	-93.78
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000558870	0	35	-2.0	-88.09	354.33	6.61	-81.48
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000558871	1	35	-2.0	-90.19	345.80	6.09	-84.10
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000558872	0	32	-2.0	-91.81	333.53	5.18	-86.63
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000558873	0	35	-2.0	-93.14	347.68	6.12	-87.02
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300000558874	0	38	-2.0	-100.25	367.04	6.75	-93.50
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000558875	0	35	-2.0	-89.50	346.73	6.12	-83.38
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000558876	1	35	-2.0	-88.02	353.77	6.45	-81.57
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000558877	1	35	-2.0	-91.75	352.11	6.14	-85.61
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000558878	0	36	-2.0	-101.90	350.99	3.76	-98.14
COC(=O)C1=CC(C#N)=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000558878	1	36	-2.0	-101.61	340.03	4.63	-96.98
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000558879	1	38	-2.0	-93.32	363.44	6.84	-86.48
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300000558880	1	38	-2.0	-98.35	351.32	6.69	-91.66
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000558881	1	38	-2.0	-101.07	366.12	6.70	-94.37
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)=C1	REAL300000558882	1	38	-2.0	-90.82	356.68	6.83	-83.99
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000558883	1	41	-2.0	-106.06	378.77	7.25	-98.81
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000558884	0	35	-2.0	-90.92	353.03	6.18	-84.74
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)=C1	REAL300000558885	1	41	-2.0	-102.62	375.75	7.44	-95.18
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300000558886	0	38	-2.0	-101.18	366.59	6.75	-94.43
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300000558887	0	38	-2.0	-106.41	366.31	6.74	-99.67
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C#N)=CC(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000558888	1	41	-2.0	-103.54	375.24	7.24	-96.30
CCN1C=C(S(=O)(=O)[N-]C2=CC(C#N)=CC(C(=O)OC)=C2)C=C1C(=O)[O-]	REAL300000558889	0	39	-2.0	-101.74	369.29	6.26	-95.48
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300000558890	1	38	-2.0	-90.43	357.28	6.59	-83.84
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=C1	REAL300000558891	1	38	-2.0	-101.12	360.81	6.89	-94.23
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000558892	0	35	-2.0	-105.79	344.93	6.09	-99.70
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=C1	REAL300000558893	1	38	-2.0	-94.81	366.21	6.73	-88.08
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000558894	0	34	-2.0	-99.46	337.50	4.17	-95.29
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300000558895	0	39	-2.0	-94.22	369.48	5.84	-88.38
COC(=O)C1=CC(C#N)=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000558896	0	32	-2.0	-90.57	341.41	5.03	-85.54
CCC1=C(S(=O)(=O)[N-]C2=CC(C#N)=CC(C(=O)OC)=C2)C=C(C(=O)[O-])O1	REAL300000558897	0	38	-2.0	-96.53	363.41	6.05	-90.48
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558898	1	38	-2.0	-113.34	344.54	6.69	-106.65
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000558899	1	38	-2.0	-103.05	339.99	6.66	-96.39
COC1=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558900	1	38	-2.0	-116.36	340.01	6.65	-109.71
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)C=CC=C2C=C1	REAL300000558901	0	42	-2.0	-121.26	368.15	6.45	-114.81
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000558902	1	42	-2.0	-101.79	371.47	7.95	-93.84
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558903	1	41	-2.0	-117.73	356.03	7.19	-110.54
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)C=CC=C2C=C1	REAL300000558904	0	38	-2.0	-110.85	353.08	7.22	-103.63
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558905	1	38	-2.0	-111.92	352.51	7.05	-104.87
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=CC=C2C=C1	REAL300000558906	1	44	-2.0	-118.34	372.67	8.01	-110.33
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=CC=C2C=C1	REAL300000558907	0	38	-2.0	-113.40	345.47	6.72	-106.68
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000558908	1	44	-2.0	-101.41	383.58	8.24	-93.17
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=CC=C2C=C1	REAL300000558909	0	35	-2.0	-110.45	333.19	5.67	-104.78
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=CC=C2C=C1	REAL300000558910	1	41	-2.0	-116.02	355.44	7.44	-108.58
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000558911	1	42	-2.0	-100.54	371.09	6.93	-93.61
COC1=CC2=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558912	0	39	-2.0	-114.59	346.65	6.01	-108.58
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)C=CC=C2C=C1	REAL300000558913	1	42	-2.0	-116.01	364.21	5.47	-110.54
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)C=CC=C2C=C1	REAL300000558914	0	38	-2.0	-106.46	349.12	6.33	-100.13
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)C=CC=C2C=C1	REAL300000558915	1	44	-2.0	-117.36	371.46	7.97	-109.39
COC1=CC2=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558916	0	35	-2.0	-111.86	331.66	5.69	-106.17
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(OC)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558917	1	42	-2.0	-122.09	367.29	6.72	-115.37
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)C=CC=C2C=C1	REAL300000558918	1	47	-2.0	-118.12	393.90	8.66	-109.46
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC2=CC=C(OC)C=C21	REAL300000558919	1	44	-2.0	-113.48	368.16	8.29	-105.19
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)C=CC=C2C=C1	REAL300000558920	1	45	-2.0	-120.70	384.26	8.55	-112.15
COC1=CC2=C([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558921	0	38	-2.0	-109.04	343.01	5.79	-103.25
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=CC=C2C=C1	REAL300000558922	0	42	-2.0	-118.52	368.92	5.75	-112.77
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=CC=C2C=C1	REAL300000558923	1	41	-2.0	-106.80	360.30	7.49	-99.31
COC1=CC2=C([N-]S(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558924	0	38	-2.0	-112.23	349.70	6.54	-105.69
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)C=CC=C2C=C1	REAL300000558925	0	38	-2.0	-100.17	353.06	7.22	-92.95
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=CC=C2C=C1	REAL300000558926	1	38	-2.0	-102.25	344.52	6.69	-95.56
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=CC=C2C=C1	REAL300000558927	0	35	-2.0	-105.06	332.27	5.77	-99.29
COC1=CC2=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558928	0	38	-2.0	-106.88	346.41	6.72	-100.16
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=CC=C2C=C1	REAL300000558929	0	41	-2.0	-114.90	365.77	7.36	-107.54
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=CC=C2C=C1	REAL300000558930	0	38	-2.0	-102.90	345.47	6.73	-96.17
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)C=CC=C2C=C1	REAL300000558931	1	38	-2.0	-100.51	352.49	7.06	-93.45
COC1=CC2=C([N-]S(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558932	1	38	-2.0	-104.56	350.82	6.75	-97.81
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=CC=C2C=C1	REAL300000558933	0	39	-2.0	-114.62	349.72	4.37	-110.25
COC1=CC2=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=CC=C2C=C1	REAL300000558933	1	39	-2.0	-115.14	344.27	4.67	-110.47
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=CC=C2C=C1	REAL300000558934	1	41	-2.0	-108.40	362.19	7.43	-100.97
COC1=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=CC=C2C=C1	REAL300000558935	1	41	-2.0	-112.83	350.04	7.29	-105.54
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558936	1	41	-2.0	-114.82	364.84	7.31	-107.51
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)C=CC=C2C=C1	REAL300000558937	1	41	-2.0	-102.67	355.42	7.43	-95.24
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558938	1	44	-2.0	-119.95	372.88	7.72	-112.23
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C=CC=C2C=C1	REAL300000558939	0	38	-2.0	-104.93	351.74	6.78	-98.15
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)C=CC=C2C=C1	REAL300000558940	1	44	-2.0	-117.10	374.48	8.04	-109.06
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=CC=C2C=C1	REAL300000558941	0	41	-2.0	-115.88	365.32	7.34	-108.54
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=CC=C2C=C1	REAL300000558942	0	41	-2.0	-122.52	365.04	7.35	-115.17
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(OC)C=C32)C=C1C(=O)[O-]	REAL300000558943	1	44	-2.0	-118.54	373.94	7.84	-110.70
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(OC)C=C32)C=C1C(=O)[O-]	REAL300000558944	0	42	-2.0	-115.89	368.03	6.87	-109.02
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C=CC=C2C=C1	REAL300000558945	1	41	-2.0	-103.36	356.01	7.20	-96.16
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)C=CC=C2C=C1	REAL300000558946	1	41	-2.0	-113.26	359.54	7.50	-105.76
COC1=CC2=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=CC=C2C=C1	REAL300000558947	0	38	-2.0	-121.58	343.63	6.68	-114.90
COC1=CC2=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558948	1	41	-2.0	-107.93	361.17	7.23	-100.70
COC1=CC2=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=CC=C2C=C1	REAL300000558949	0	37	-2.0	-112.63	336.99	4.71	-107.92
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3OC)C=CC=C2C=C1	REAL300000558950	0	42	-2.0	-107.35	368.21	6.45	-100.90
COC1=CC2=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300000558951	0	35	-2.0	-103.08	340.11	5.63	-97.45
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C=CC=C2C=C1	REAL300000558952	1	45	-2.0	-109.25	386.13	8.54	-100.71
COC1=CC2=C([N-]S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C=CC=C2C=C1	REAL300000558953	1	45	-2.0	-113.76	384.09	8.53	-105.23
CCC1=C(S(=O)(=O)[N-]C2=CC=CC3=CC=C(OC)C=C32)C=C(C(=O)[O-])O1	REAL300000558954	0	41	-2.0	-108.32	362.12	6.64	-101.68
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=C(Cl)C=C3)SC=C2)C=C1	REAL300000558955	0	35	-2.0	-92.19	347.77	8.46	-83.73
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=C(C3=CC=C(Cl)C=C3)SC=C2)=C1	REAL300000558956	0	35	-2.0	-104.21	347.79	8.44	-95.77
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(C3=CC=C(Cl)C=C3)SC=C2)=C1	REAL300000558957	0	32	-2.0	-98.99	340.98	7.45	-91.54
CN1C=C(S(=O)(=O)[N-]C2=C(C3=CC=C(Cl)C=C3)SC=C2)C=C1C(=O)[O-]	REAL300000558958	0	36	-2.0	-102.61	354.44	7.79	-94.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(C3=CC=C(Cl)C=C3)SC=C2)=CS1	REAL300000558959	0	32	-2.0	-100.20	339.44	7.48	-92.72
CC1=C(S(=O)(=O)[N-]C2=C(C3=CC=C(Cl)C=C3)SC=C2)C=C(C(=O)[O-])O1	REAL300000558960	0	35	-2.0	-98.14	350.80	7.58	-90.56
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(C3=CC=C(Cl)C=C3)SC=C2)S1	REAL300000558961	0	32	-2.0	-94.04	340.05	7.58	-86.46
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(C3=CC=C(Cl)C=C3)SC=C2)=C1	REAL300000558962	0	34	-2.0	-102.32	344.01	6.56	-95.76
CC1=CC(CS(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000558964	1	39	-2.0	-117.82	363.70	1.43	-116.39
CC1=CC(CS(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000558966	0	36	-2.0	-112.29	356.88	0.44	-111.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(CS(N)(=O)=O)C=C1C	REAL300000558967	1	42	-2.0	-118.31	379.25	2.21	-116.10
CC1=CC(CS(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000558968	1	40	-2.0	-116.44	370.35	0.77	-115.67
CC1=CC(CS(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000558969	0	36	-2.0	-114.92	355.50	0.45	-114.47
CC1=C(S(=O)(=O)[N-]C2=CC=C(CS(N)(=O)=O)C=C2C)C=C(C(=O)[O-])O1	REAL300000558970	0	39	-2.0	-112.03	366.71	0.56	-111.47
CC1=CC(CS(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000558971	0	36	-2.0	-107.56	355.97	0.56	-107.00
CC1=CC(CS(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000558972	1	42	-2.0	-109.63	385.88	2.21	-107.42
CC1=CC(CS(N)(=O)=O)=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000558976	0	38	-2.0	-117.31	359.92	-0.46	-117.77
CC1=CC=CC(OCC2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000558977	0	45	-2.0	-101.11	391.52	10.73	-90.38
CC1=CC=CC(OCC2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000558978	0	45	-2.0	-114.04	391.56	10.71	-103.33
CC1=CC=CC(OCC2=CC=CC=C2)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000558979	0	44	-2.0	-112.25	387.77	8.86	-103.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)=CC=C1F	REAL300000558980	0	34	-2.0	-110.92	342.44	6.10	-104.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)C=C1	REAL300000558981	0	34	-2.0	-101.07	337.90	6.08	-94.99
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)=C1	REAL300000558982	0	34	-2.0	-113.46	337.91	6.08	-107.38
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)C=C1C(=O)[O-]	REAL300000558983	0	37	-2.0	-114.44	353.93	6.60	-107.84
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)=C1	REAL300000558984	0	34	-2.0	-110.54	343.39	6.13	-104.41
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)=C1	REAL300000558985	0	31	-2.0	-107.74	331.09	5.10	-102.64
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=C2Cl)N=C1	REAL300000558986	0	37	-2.0	-114.23	353.34	6.86	-107.37
CN1C=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)C=C1C(=O)[O-]	REAL300000558987	0	35	-2.0	-111.95	344.55	5.43	-106.52
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)=C1	REAL300000558988	0	34	-2.0	-103.81	347.02	5.75	-98.06
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)=CS1	REAL300000558989	0	31	-2.0	-109.08	329.56	5.11	-103.97
CC1=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)C=C(C(=O)[O-])O1	REAL300000558990	0	34	-2.0	-107.32	340.92	5.22	-102.10
CC1=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)C=C(C(=O)[O-])S1	REAL300000558991	0	34	-2.0	-110.58	347.60	5.96	-104.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)C=C1F	REAL300000558992	0	34	-2.0	-100.63	342.44	6.12	-94.51
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)S1	REAL300000558993	0	31	-2.0	-102.64	330.18	5.20	-97.44
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)=C1	REAL300000558994	0	34	-2.0	-104.32	344.32	6.14	-98.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)C(F)=C1	REAL300000558995	0	34	-2.0	-100.40	343.37	6.15	-94.25
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)=C1	REAL300000558996	0	35	-2.0	-113.08	347.62	3.80	-109.28
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)C=C1	REAL300000558997	0	37	-2.0	-104.36	360.08	6.85	-97.51
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=C2Cl)N=C1	REAL300000558998	0	37	-2.0	-109.65	347.98	6.70	-102.95
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C2=NC=CC=C2Cl)N=C1	REAL300000558999	0	37	-2.0	-101.31	353.32	6.85	-94.46
CCN1C=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)C=C1C(=O)[O-]	REAL300000559000	0	38	-2.0	-113.22	365.93	6.30	-106.92
CC1=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)=CC=C1C(=O)[O-]	REAL300000559001	0	37	-2.0	-102.72	357.98	6.71	-96.01
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)=C1F	REAL300000559002	0	34	-2.0	-117.38	341.57	6.10	-111.28
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)=C1	REAL300000559003	0	33	-2.0	-110.99	334.13	4.20	-106.79
CCC1=C(S(=O)(=O)[N-]C2=CN(C3=NC=CC=C3Cl)N=C2)C=C(C(=O)[O-])O1	REAL300000559004	0	37	-2.0	-107.10	360.04	6.07	-101.03
CCOC(=O)C1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300000559021	0	42	-2.0	-116.25	366.57	7.15	-109.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=C(C=C1F)NC(=O)CO2	REAL300000559034	1	38	-2.0	-111.92	346.36	2.19	-109.73
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(F)C=C3NC(=O)COC3=C2)=C1	REAL300000559038	1	34	-2.0	-103.60	323.69	2.46	-101.14
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=C(F)C=C3NC(=O)COC3=C2)=C1	REAL300000559040	0	31	-2.0	-100.78	311.40	1.44	-99.34
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)CO3)=C1	REAL300000559045	1	34	-2.0	-96.68	327.35	2.09	-94.59
CC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)CO3)C=C(C(=O)[O-])O1	REAL300000559050	1	34	-2.0	-100.95	321.23	1.55	-99.40
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)CO3)=C1	REAL300000559051	1	38	-2.0	-106.74	347.18	1.49	-105.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=C3NC(=O)COC3=C2)S1	REAL300000559055	1	31	-2.0	-95.54	310.47	1.53	-94.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)CO3)=C1F	REAL300000559057	1	37	-2.0	-105.04	343.96	3.10	-101.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=C(F)C=C3NC(=O)COC3=C2)C(F)=C1	REAL300000559058	1	34	-2.0	-93.21	323.68	2.46	-90.75
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=C(F)C=C3NC(=O)COC3=C2)=C1	REAL300000559059	0	35	-2.0	-105.34	326.78	0.88	-104.46
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)CO3)C=C1C(=O)[O-]	REAL300000559066	1	37	-2.0	-104.67	339.69	3.00	-101.67
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)CO3)=C1	REAL300000559067	1	37	-2.0	-110.02	343.25	3.08	-106.94
O=C([O-])C1=C(F)C(S(=O)(=O)[N-]C2=C(F)C=C3NC(=O)COC3=C2)=CC=C1	REAL300000559072	1	34	-2.0	-109.25	321.85	2.42	-106.83
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=C(F)C=C3NC(=O)COC3=C2)=C1	REAL300000559074	0	33	-2.0	-103.52	314.42	0.54	-102.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=C(C=C1F)NC(=O)CO2	REAL300000559075	1	38	-2.0	-98.17	346.42	2.19	-95.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=C(F)C=C3NC(=O)COC3=C2)=C(Cl)O1	REAL300000559076	0	31	-2.0	-94.66	318.32	1.39	-93.27
CCC1=C(S(=O)(=O)[N-]C2=CC3=C(C=C2F)NC(=O)CO3)C=C(C(=O)[O-])O1	REAL300000559077	1	37	-2.0	-100.96	340.34	2.40	-98.56
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000559078	0	34	-2.0	-108.03	323.78	4.34	-103.69
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000559079	0	34	-2.0	-95.13	315.69	4.13	-91.00
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000559080	0	34	-2.0	-112.45	319.25	4.31	-108.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1C	REAL300000559081	0	38	-2.0	-116.87	347.32	4.08	-112.79
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000559082	0	38	-2.0	-93.82	347.18	5.42	-88.40
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300000559083	0	37	-2.0	-111.39	333.94	4.90	-106.49
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300000559084	0	34	-2.0	-107.56	332.13	4.89	-102.67
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000559085	0	34	-2.0	-106.47	331.76	4.71	-101.76
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=C(C)C(C)=CC(C(=O)[O-])=C1	REAL300000559086	0	40	-2.0	-111.39	348.58	5.70	-105.69
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000559087	0	34	-2.0	-108.96	324.65	4.38	-104.58
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000559088	0	40	-2.0	-93.22	359.29	5.72	-87.50
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000559089	0	31	-2.0	-106.89	312.35	3.34	-103.55
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000559090	0	37	-2.0	-112.77	334.48	5.09	-107.68
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000559091	0	38	-2.0	-92.81	346.81	4.41	-88.40
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000559092	0	35	-2.0	-106.19	321.55	3.69	-102.50
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300000559093	0	38	-2.0	-113.44	342.85	3.16	-110.28
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300000559094	0	34	-2.0	-96.99	325.16	4.03	-92.96
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C(C(=O)[O-])=C1	REAL300000559095	0	40	-2.0	-110.65	346.08	5.72	-104.93
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000559096	0	31	-2.0	-108.10	310.89	3.37	-104.73
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2C)C=C1C(=O)[O-]	REAL300000559097	0	38	-2.0	-118.50	346.52	4.38	-114.12
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300000559098	0	44	-2.0	-112.82	371.16	6.98	-105.84
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300000559099	0	43	-2.0	-110.77	369.01	6.38	-104.39
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1C	REAL300000559100	0	40	-2.0	-107.46	346.10	6.06	-101.40
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1C	REAL300000559101	0	41	-2.0	-115.78	369.61	4.84	-110.94
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300000559102	0	36	-3.0	-188.21	347.40	4.86	-183.35
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300000559103	0	41	-2.0	-113.22	360.16	6.25	-106.97
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300000559104	0	34	-2.0	-102.29	320.88	3.45	-98.84
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300000559105	0	38	-2.0	-106.01	344.97	3.41	-102.60
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300000559106	0	34	-2.0	-104.54	336.65	4.90	-99.64
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300000559107	0	41	-2.0	-97.53	370.40	5.31	-92.22
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300000559108	0	37	-2.0	-100.02	336.60	5.16	-94.86
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300000559109	0	38	-2.0	-96.31	356.55	4.66	-91.65
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2C)C=C1C(=O)[O-]	REAL300000559110	0	41	-2.0	-117.09	368.38	5.30	-111.79
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300000559111	0	34	-2.0	-105.56	325.61	4.25	-101.31
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300000559112	0	34	-2.0	-96.82	332.11	4.88	-91.94
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000559113	0	34	-2.0	-98.75	323.78	4.35	-94.40
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000559114	0	31	-2.0	-100.85	311.43	3.44	-97.41
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000559115	0	34	-2.0	-103.47	325.66	4.38	-99.09
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=C(F)C(C)=CC(C(=O)[O-])=C1	REAL300000559116	0	37	-2.0	-106.30	341.82	5.06	-101.24
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000559117	0	34	-2.0	-98.45	324.63	4.39	-94.06
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300000559118	0	34	-2.0	-96.88	331.75	4.72	-92.16
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300000559119	0	37	-2.0	-101.73	345.34	5.54	-96.19
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300000559120	0	34	-2.0	-101.78	330.08	4.41	-97.37
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300000559121	0	36	-2.0	-97.50	347.44	4.98	-92.52
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300000559122	0	34	-3.0	-207.71	325.33	2.87	-204.84
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000559122	1	35	-2.0	-111.26	328.90	1.99	-109.27
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000559123	0	37	-2.0	-98.30	337.89	4.91	-93.39
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300000559124	0	34	-2.0	-103.17	339.95	4.84	-98.33
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300000559125	0	37	-2.0	-108.00	332.55	5.05	-102.95
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(C)=C1	REAL300000559126	0	37	-2.0	-109.57	344.07	4.96	-104.61
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300000559127	0	37	-2.0	-99.64	334.45	5.09	-94.55
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C(C)=C1	REAL300000559128	0	40	-2.0	-116.66	355.47	5.51	-111.15
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300000559129	0	36	-2.0	-108.94	345.84	5.40	-103.54
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300000559130	0	34	-2.0	-96.55	327.80	4.48	-92.07
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300000559131	0	40	-2.0	-111.39	352.00	5.73	-105.66
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=C(F)C=C(C)C(C(=O)[O-])=C1	REAL300000559132	0	37	-2.0	-111.18	343.91	5.03	-106.15
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=C(Cl)C(C)=CC(C(=O)[O-])=C1	REAL300000559133	0	37	-2.0	-105.55	347.66	5.48	-100.07
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300000559134	0	37	-2.0	-109.48	341.08	5.03	-104.45
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2C)C=C1C(=O)[O-]	REAL300000559135	0	40	-2.0	-112.26	353.10	5.53	-106.73
COC1=CC=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2C)C=C1CC(=O)[O-]	REAL300000559136	0	41	-2.0	-114.56	369.71	4.45	-110.11
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300000559137	0	37	-2.0	-95.27	341.37	5.55	-89.72
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C(C)=C1	REAL300000559138	0	37	-2.0	-108.37	350.45	5.28	-103.09
CCN1C=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2C)C=C1C(=O)[O-]	REAL300000559139	0	38	-2.0	-107.48	342.85	4.55	-102.93
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300000559140	0	37	-2.0	-104.00	348.58	5.30	-98.70
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300000559141	0	37	-2.0	-101.09	338.27	4.99	-96.10
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300000559142	0	37	-2.0	-110.72	338.59	5.16	-105.56
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300000559143	0	36	-2.0	-110.92	339.67	6.17	-104.75
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000559144	0	34	-2.0	-114.64	322.81	4.33	-110.31
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300000559145	0	37	-2.0	-102.47	339.88	4.92	-97.55
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000559146	0	40	-2.0	-112.37	354.95	6.47	-105.90
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000559147	0	33	-2.0	-103.60	312.27	2.48	-101.12
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C(F)F)N(C)N=C1C	REAL300000559148	0	38	-2.0	-103.18	347.37	4.08	-99.10
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000559149	0	31	-2.0	-95.67	315.02	3.37	-92.30
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300000559150	0	41	-2.0	-102.04	361.50	6.03	-96.01
CC1=NN(C)C(C(F)F)=C1[N-]S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300000559151	0	41	-2.0	-102.16	358.99	6.20	-95.96
CCC1=C(S(=O)(=O)[N-]C2=C(C(F)F)N(C)N=C2C)C=C(C(=O)[O-])O1	REAL300000559152	0	37	-2.0	-106.10	340.61	4.27	-101.83
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1	REAL300000559153	0	44	-2.0	-109.60	388.78	3.81	-105.79
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000559154	0	44	-2.0	-99.54	384.22	3.78	-95.76
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000559155	0	44	-2.0	-111.95	384.23	3.76	-108.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1OC(C)C(C)C	REAL300000559156	0	48	-2.0	-116.63	412.38	3.58	-113.05
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300000559157	0	48	-2.0	-98.79	415.68	5.07	-93.72
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)C=C1C(=O)[O-]	REAL300000559158	0	47	-2.0	-113.36	400.25	4.31	-109.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)=C1C	REAL300000559159	0	50	-2.0	-113.91	416.31	5.15	-108.76
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300000559160	0	44	-2.0	-108.54	389.72	3.84	-104.70
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300000559161	0	50	-2.0	-97.94	427.81	5.34	-92.60
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300000559162	0	41	-2.0	-106.21	377.42	2.79	-103.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1OC(C)C(C)C	REAL300000559163	0	47	-2.0	-111.67	399.68	4.56	-107.11
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300000559164	0	48	-2.0	-97.54	415.30	4.05	-93.49
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300000559165	0	45	-2.0	-110.54	390.88	3.12	-107.42
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1OC(C)C(C)C	REAL300000559166	0	48	-2.0	-112.17	408.02	2.60	-109.57
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)=C1	REAL300000559167	0	44	-2.0	-102.42	393.35	3.45	-98.97
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)C=C1C(=O)[O-]	REAL300000559168	0	50	-2.0	-112.92	415.68	5.10	-107.82
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300000559169	0	41	-2.0	-107.81	375.88	2.80	-105.01
COC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)C=C1C(=O)[O-]	REAL300000559170	0	48	-2.0	-117.87	411.52	3.84	-114.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1OC(C)C(C)C	REAL300000559171	0	50	-2.0	-109.46	414.36	5.50	-103.96
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)C=C(C(=O)[O-])O1	REAL300000559172	0	44	-2.0	-105.06	387.24	2.91	-102.15
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)=C1	REAL300000559173	0	48	-2.0	-114.43	412.12	2.91	-111.52
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1OC(C)C(C)C	REAL300000559174	0	47	-2.0	-102.80	403.91	4.64	-98.16
CC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)C=C(C(=O)[O-])S1	REAL300000559175	0	44	-2.0	-108.23	392.86	3.68	-104.55
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000559176	0	44	-2.0	-98.99	388.77	3.82	-95.17
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300000559177	0	41	-2.0	-101.21	376.50	2.90	-98.31
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300000559178	0	44	-2.0	-102.88	390.65	3.83	-99.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)=C1F	REAL300000559179	0	47	-2.0	-110.19	409.98	4.47	-105.72
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300000559180	0	44	-2.0	-99.09	389.70	3.85	-95.24
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300000559181	0	45	-2.0	-110.10	393.95	1.47	-108.63
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000559182	0	47	-2.0	-102.38	406.41	4.53	-97.85
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1OC(C)C(C)C	REAL300000559183	0	47	-2.0	-109.07	394.28	4.39	-104.68
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)=CC(C(=O)[O-])=C1F	REAL300000559184	0	47	-2.0	-111.25	408.05	4.46	-106.79
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1OC(C)C(C)C	REAL300000559185	0	47	-2.0	-99.54	398.61	4.59	-94.95
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)=CC(C(=O)[O-])=C1C	REAL300000559186	0	50	-2.0	-115.20	417.12	4.83	-110.37
CC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)C(C)=C1C(=O)[O-]	REAL300000559187	0	50	-2.0	-113.45	417.77	5.18	-108.27
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)C=C1C(=O)[O-]	REAL300000559188	0	47	-2.0	-110.89	409.55	4.47	-106.42
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)=C1	REAL300000559189	0	47	-2.0	-117.99	408.23	4.51	-113.48
CCC1=CC=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)C=C1C(=O)[O-]	REAL300000559190	0	50	-2.0	-114.00	418.55	4.95	-109.05
CCN1C=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)C=C1C(=O)[O-]	REAL300000559191	0	48	-2.0	-111.85	412.26	3.98	-107.87
CC1=CC(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)=CC=C1C(=O)[O-]	REAL300000559192	0	47	-2.0	-99.69	400.25	4.31	-95.38
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CN(C)N=C1OC(C)C(C)C	REAL300000559193	0	47	-2.0	-108.97	404.19	4.59	-104.38
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300000559194	0	44	-2.0	-117.22	387.87	3.80	-113.42
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)C=C1C(=O)[O-]	REAL300000559195	0	47	-2.0	-105.01	408.16	4.49	-100.52
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300000559196	0	43	-2.0	-109.97	379.41	1.95	-108.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CN(C)N=C1OC(C)C(C)C	REAL300000559197	0	48	-2.0	-103.86	411.41	3.62	-100.24
CC(C)C(C)OC1=NN(C)C=C1[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300000559198	0	41	-2.0	-99.52	384.34	2.75	-96.77
CCC1=C(S(=O)(=O)[N-]C2=CN(C)N=C2OC(C)C(C)C)C=C(C(=O)[O-])O1	REAL300000559199	0	47	-2.0	-104.60	406.36	3.76	-100.84
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=NC=C12	REAL300000559200	1	39	-2.0	-88.42	355.48	6.07	-82.35
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=NC=C12	REAL300000559201	0	39	-2.0	-99.89	355.48	6.06	-93.83
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=NC=C12	REAL300000559202	0	36	-2.0	-94.52	348.67	5.08	-89.44
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C2=CC=NC=C12	REAL300000559203	0	40	-2.0	-98.24	362.14	5.42	-92.82
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=NC=C12	REAL300000559204	0	36	-2.0	-95.96	347.14	5.10	-90.86
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C2=CC=NC=C12	REAL300000559205	0	39	-2.0	-94.32	358.49	5.22	-89.10
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=NC=C12	REAL300000559206	0	36	-2.0	-89.70	347.74	5.18	-84.52
COC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=NC=C12	REAL300000559207	0	38	-2.0	-97.28	351.69	4.19	-93.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=CC=C1F	REAL300000559208	1	39	-2.0	-107.21	347.99	6.64	-100.57
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1	REAL300000559209	1	39	-2.0	-97.40	343.44	6.62	-90.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1	REAL300000559210	1	39	-2.0	-109.87	343.46	6.61	-103.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCC2)=C1	REAL300000559211	0	43	-2.0	-114.84	371.60	6.41	-108.43
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1	REAL300000559212	1	43	-2.0	-96.86	374.91	7.91	-88.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1C(=O)[O-]	REAL300000559213	1	42	-2.0	-112.44	363.53	7.26	-105.18
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1	REAL300000559214	0	39	-2.0	-104.95	356.53	7.18	-97.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=CC=C1Cl	REAL300000559215	1	39	-2.0	-105.62	355.97	7.00	-98.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1C	REAL300000559216	1	45	-2.0	-111.92	375.86	7.92	-104.00
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1	REAL300000559217	0	39	-2.0	-106.71	348.94	6.67	-100.04
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1	REAL300000559218	1	45	-2.0	-95.93	387.02	8.20	-87.73
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1	REAL300000559219	0	36	-2.0	-104.04	336.65	5.62	-98.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCC2)=C1	REAL300000559220	1	42	-2.0	-108.49	359.03	7.38	-101.11
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1	REAL300000559221	1	43	-2.0	-95.47	374.53	6.90	-88.57
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1C(=O)[O-]	REAL300000559222	0	40	-2.0	-106.12	350.24	5.96	-100.16
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1	REAL300000559224	0	39	-2.0	-97.85	352.71	6.28	-91.57
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1C(=O)[O-]	REAL300000559225	1	45	-2.0	-110.17	374.67	7.94	-102.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=CS1	REAL300000559226	0	36	-2.0	-105.53	335.11	5.64	-99.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1C(=O)[O-]	REAL300000559227	1	43	-2.0	-115.73	370.74	6.68	-109.05
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCC2)=C1	REAL300000559228	1	48	-2.0	-112.38	397.36	8.61	-103.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCC2)=C1	REAL300000559229	1	45	-2.0	-108.25	373.61	8.33	-99.92
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCC2)=C1	REAL300000559230	0	46	-2.0	-116.07	393.89	7.18	-108.89
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(OC3CCC3)=C2)=CC(C(=O)[O-])=C1	REAL300000559231	0	42	-2.0	-108.26	374.47	7.16	-101.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=CC(C(=O)[O-])=C1	REAL300000559231	1	41	-3.0	-185.88	371.86	7.17	-178.71
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1	REAL300000559232	1	46	-2.0	-114.36	387.71	8.51	-105.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C(C(=O)[O-])O1	REAL300000559233	0	39	-2.0	-103.20	346.47	5.75	-97.45
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1	REAL300000559234	0	43	-2.0	-111.28	372.45	5.70	-105.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C(Cl)C=C1F	REAL300000559235	0	39	-2.0	-101.56	361.06	7.19	-94.37
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=CC=C1OCC(=O)[O-]	REAL300000559236	1	46	-2.0	-93.83	394.75	7.59	-86.24
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCC2)=C1	REAL300000559237	1	42	-2.0	-100.71	364.17	7.43	-93.28
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1F	REAL300000559238	1	43	-2.0	-94.93	380.75	6.96	-87.97
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1C(=O)[O-]	REAL300000559239	1	46	-2.0	-116.65	392.60	7.59	-109.06
CC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C(C(=O)[O-])S1	REAL300000559240	0	39	-2.0	-106.57	352.06	6.50	-100.07
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C(Cl)=C1	REAL300000559241	0	39	-2.0	-94.91	356.51	7.17	-87.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1F	REAL300000559242	1	39	-2.0	-96.75	347.97	6.65	-90.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)S1	REAL300000559243	0	36	-2.0	-99.00	335.73	5.74	-93.26
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1	REAL300000559244	1	39	-2.0	-100.63	349.87	6.68	-93.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1F	REAL300000559245	0	42	-2.0	-108.12	369.22	7.31	-100.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C(F)=C1	REAL300000559246	0	39	-2.0	-96.93	348.92	6.68	-90.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1Cl	REAL300000559247	1	39	-2.0	-94.85	355.95	7.01	-87.84
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCC2)=C1	REAL300000559248	1	42	-2.0	-102.36	372.90	7.81	-94.55
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=CC(F)=C1F	REAL300000559249	1	39	-2.0	-98.86	354.28	6.70	-92.16
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1	REAL300000559250	0	41	-2.0	-94.84	371.65	7.28	-87.56
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1	REAL300000559251	0	40	-2.0	-108.66	353.17	4.32	-104.34
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(OC3CCC3)=C2)=C1	REAL300000559251	1	40	-2.0	-105.89	352.50	4.99	-100.90
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1	REAL300000559252	1	42	-2.0	-100.47	365.63	7.40	-93.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=CC(Cl)=C1F	REAL300000559253	1	39	-2.0	-100.32	364.17	7.14	-93.18
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCC2)=C1	REAL300000559254	1	42	-2.0	-106.74	353.47	7.24	-99.50
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=CC(C(=O)[O-])=C1F	REAL300000559255	1	42	-2.0	-108.66	368.29	7.26	-101.40
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCC2)=C1	REAL300000559256	1	42	-2.0	-95.15	359.01	7.37	-87.78
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=CC(C(=O)[O-])=C1C	REAL300000559257	1	45	-2.0	-114.67	380.33	7.79	-106.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=CC=C1[N+](=O)[O-]	REAL300000559258	0	41	-2.0	-107.98	370.06	7.70	-100.28
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1	REAL300000559259	0	39	-2.0	-98.46	355.21	6.74	-91.72
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C(C)=C1C(=O)[O-]	REAL300000559260	1	45	-2.0	-111.07	377.95	8.01	-103.06
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1C(=O)[O-]	REAL300000559261	0	42	-2.0	-107.22	368.98	7.30	-99.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1Cl	REAL300000559262	0	42	-2.0	-106.69	375.22	7.75	-98.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1	REAL300000559263	0	42	-2.0	-112.77	368.64	7.29	-105.48
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1C(=O)[O-]	REAL300000559264	1	45	-2.0	-111.64	377.39	7.80	-103.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1CC(=O)[O-]	REAL300000559265	1	46	-2.0	-111.06	393.92	6.74	-104.32
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCC2)=C1	REAL300000559266	1	42	-2.0	-99.69	370.18	7.75	-91.94
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000559267	1	42	-2.0	-107.43	374.68	7.57	-99.86
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1C(=O)[O-]	REAL300000559268	0	43	-2.0	-107.40	371.61	6.82	-100.58
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1C(=O)[O-]	REAL300000559269	1	42	-2.0	-104.38	377.35	7.69	-96.69
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=CC=C1C(=O)[O-]	REAL300000559270	1	42	-2.0	-97.56	359.53	7.16	-90.40
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCC2)=C1	REAL300000559271	1	42	-2.0	-107.38	363.42	7.43	-99.95
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1[N+](=O)[O-]	REAL300000559272	0	41	-2.0	-118.18	367.21	8.47	-109.71
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1F	REAL300000559273	0	39	-2.0	-112.00	347.22	6.62	-105.38
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C1C(=O)[O-]	REAL300000559274	1	42	-2.0	-102.73	368.47	7.29	-95.44
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=CC2=CC=CC=C21	REAL300000559275	1	45	-2.0	-116.05	384.63	8.72	-107.33
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C1	REAL300000559276	0	38	-2.0	-105.49	339.81	4.72	-100.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(OC2CCC2)=C1	REAL300000559277	0	43	-2.0	-101.62	371.66	6.41	-95.21
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)=C(Cl)O1	REAL300000559278	0	36	-2.0	-97.17	343.61	5.59	-91.58
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(OC4CCC4)=C3)C=C2)CC1	REAL300000559279	1	46	-2.0	-103.60	389.58	8.50	-95.10
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(OC4CCC4)=C3)C=C2C1	REAL300000559280	1	46	-2.0	-108.31	388.90	8.50	-99.81
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(OC3CCC3)=C2)C=C(C(=O)[O-])O1	REAL300000559281	0	42	-2.0	-102.93	365.59	6.60	-96.33
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300000559282	1	41	-2.0	-87.40	370.01	5.04	-82.36
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000559283	1	34	-2.0	-103.90	318.09	6.49	-97.41
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)F)=C1	REAL300000559284	0	42	-2.0	-105.10	373.14	7.54	-97.56
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000559285	1	34	-2.0	-93.57	313.53	6.46	-87.11
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000559286	1	34	-2.0	-106.46	313.56	6.45	-100.01
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)F)=C1	REAL300000559287	0	38	-2.0	-112.08	341.67	6.25	-105.83
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000559288	1	38	-2.0	-93.39	345.00	7.75	-85.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)C=C1C(=O)[O-]	REAL300000559289	1	37	-2.0	-106.90	329.58	6.99	-99.91
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300000559290	0	34	-2.0	-102.04	326.63	7.03	-95.01
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000559291	1	34	-2.0	-102.25	326.07	6.85	-95.40
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300000559292	0	34	-2.0	-97.07	339.10	7.40	-89.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)=C1C	REAL300000559293	1	40	-2.0	-108.84	346.21	7.80	-101.04
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000559294	0	34	-2.0	-103.63	319.04	6.52	-97.11
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300000559295	1	40	-2.0	-92.59	357.06	8.04	-84.55
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300000559296	0	31	-2.0	-100.01	306.68	5.47	-94.54
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)F)=C1	REAL300000559297	1	37	-2.0	-107.52	328.96	7.24	-100.28
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=C1	REAL300000559299	0	35	-2.0	-104.22	320.18	5.80	-98.42
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)=C1	REAL300000559301	0	34	-2.0	-96.34	322.63	6.13	-90.21
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300000559303	0	31	-2.0	-101.44	305.14	5.49	-95.95
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)=CC(C(=O)[O-])=C1OC	REAL300000559304	1	42	-2.0	-106.05	371.89	6.27	-99.78
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300000559306	1	44	-2.0	-110.63	368.77	9.08	-101.55
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)F)=C1	REAL300000559307	1	43	-2.0	-109.83	367.43	8.45	-101.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)F)=C1	REAL300000559308	1	40	-2.0	-105.94	343.70	8.17	-97.77
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)F)=C1	REAL300000559309	0	41	-2.0	-111.73	363.96	7.01	-104.72
CC(F)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000559310	0	37	-2.0	-106.53	348.65	6.88	-99.65
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300000559310	1	36	-3.0	-180.83	341.96	7.02	-173.81
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300000559311	1	41	-2.0	-111.83	357.80	8.35	-103.48
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)C=C(C(=O)[O-])O1	REAL300000559312	0	34	-2.0	-100.27	316.57	5.59	-94.68
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=C1	REAL300000559313	1	40	-2.0	-111.19	355.73	6.23	-104.96
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)=C1	REAL300000559314	0	38	-2.0	-107.45	342.44	5.54	-101.91
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300000559316	1	34	-2.0	-95.33	341.24	7.31	-88.02
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300000559317	0	34	-2.0	-98.67	331.12	7.05	-91.62
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000559318	1	38	-2.0	-90.58	360.66	7.28	-83.30
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=C1	REAL300000559320	1	44	-2.0	-91.35	393.30	7.71	-83.64
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)F)=C1	REAL300000559321	1	37	-2.0	-97.28	334.24	7.27	-90.01
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300000559323	1	38	-2.0	-91.55	350.85	6.80	-84.75
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)C=C(C(=O)[O-])S1	REAL300000559325	1	34	-2.0	-103.02	323.22	6.34	-96.68
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300000559326	0	34	-2.0	-95.31	341.71	7.47	-87.84
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000559327	0	34	-2.0	-91.18	326.55	7.01	-84.17
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000559328	1	34	-2.0	-93.15	318.07	6.49	-86.66
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300000559329	0	31	-2.0	-95.40	305.80	5.57	-89.83
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300000559330	1	34	-2.0	-97.14	319.96	6.52	-90.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)=C1F	REAL300000559331	0	37	-2.0	-104.58	339.29	7.15	-97.43
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000559332	0	38	-2.0	-95.70	353.83	7.07	-88.63
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300000559333	0	34	-2.0	-93.06	318.95	6.52	-86.54
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300000559334	1	34	-2.0	-91.18	326.05	6.86	-84.32
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)F)=C1	REAL300000559335	1	37	-2.0	-98.95	342.97	7.65	-91.30
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=C1	REAL300000559336	1	42	-2.0	-90.19	377.27	7.87	-82.32
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000559337	1	34	-2.0	-94.74	324.38	6.55	-88.19
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300000559338	0	36	-2.0	-91.29	341.75	7.12	-84.17
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300000559339	0	35	-2.0	-106.38	323.27	4.17	-102.21
CC(F)C1=CC=CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300000559339	1	35	-2.0	-105.79	322.33	5.04	-100.75
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000559340	1	37	-2.0	-97.34	335.66	7.24	-90.10
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300000559341	1	34	-2.0	-96.17	334.26	6.99	-89.18
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)F)=C1	REAL300000559342	1	37	-2.0	-101.80	323.59	7.09	-94.71
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)=CC(C(=O)[O-])=C1F	REAL300000559343	1	37	-2.0	-105.24	338.39	7.11	-98.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)=CC(C(=O)[O-])=C1C	REAL300000559345	1	40	-2.0	-110.12	350.36	7.62	-102.50
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300000559346	0	36	-2.0	-104.74	340.11	7.55	-97.19
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300000559347	0	34	-2.0	-94.82	325.25	6.58	-88.24
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)C=C1C(=O)[O-]	REAL300000559349	0	37	-2.0	-105.98	338.84	7.14	-98.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)=C1Cl	REAL300000559350	0	37	-2.0	-103.19	345.29	7.59	-95.60
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)=C1	REAL300000559351	0	37	-2.0	-111.17	338.56	7.15	-104.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)C=C1C(=O)[O-]	REAL300000559352	1	40	-2.0	-108.40	347.50	7.64	-100.76
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(C)F)=C1	REAL300000559354	1	37	-2.0	-95.69	339.79	7.63	-88.06
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300000559355	1	37	-2.0	-90.24	343.67	7.27	-82.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000559356	1	37	-2.0	-104.07	344.78	7.41	-96.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)C=C1C(=O)[O-]	REAL300000559357	0	38	-2.0	-106.08	341.66	6.67	-99.41
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=C1	REAL300000559359	0	34	-2.0	-93.89	339.13	7.01	-86.88
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)C=C1C(=O)[O-]	REAL300000559360	1	37	-2.0	-100.25	347.30	7.52	-92.73
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=C1	REAL300000559361	0	43	-2.0	-103.64	362.96	8.59	-95.05
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)C=C1C(=O)[O-]	REAL300000559362	0	38	-2.0	-107.62	353.88	7.09	-100.53
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)=CC=C1C(=O)[O-]	REAL300000559363	1	37	-2.0	-93.69	329.56	7.00	-86.69
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000559364	0	39	-2.0	-98.90	356.76	8.65	-90.25
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300000559366	0	36	-2.0	-112.59	337.25	8.31	-104.28
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000559367	0	34	-2.0	-109.57	317.19	6.49	-103.08
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)C=C1C(=O)[O-]	REAL300000559368	1	37	-2.0	-98.37	338.50	7.13	-91.24
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300000559369	1	40	-2.0	-114.87	354.57	8.57	-106.30
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300000559370	0	33	-2.0	-103.26	310.52	4.51	-98.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(C)F)=C1	REAL300000559371	0	38	-2.0	-97.90	341.73	6.26	-91.64
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300000559372	0	31	-2.0	-93.99	313.67	5.43	-88.56
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300000559373	1	41	-2.0	-100.12	359.65	8.34	-91.78
CC(F)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300000559374	1	41	-2.0	-103.89	359.00	8.34	-95.55
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C(C)F)=C2)C=C(C(=O)[O-])O1	REAL300000559375	0	37	-2.0	-100.26	335.69	6.44	-93.82
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300000559376	0	44	-2.0	-98.57	387.44	4.76	-93.81
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300000559377	0	37	-2.0	-117.00	339.98	6.16	-110.84
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(C)C)C=C1	REAL300000559378	0	45	-2.0	-118.24	395.06	7.23	-111.01
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000559379	0	37	-2.0	-105.29	330.97	6.18	-99.11
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300000559380	0	37	-2.0	-119.66	335.43	6.13	-113.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(C)C)C=C1	REAL300000559381	0	41	-2.0	-125.84	363.58	5.94	-119.90
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300000559382	0	41	-2.0	-104.74	362.43	7.47	-97.27
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000559383	0	40	-2.0	-119.96	347.00	6.71	-113.25
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300000559384	0	37	-2.0	-114.12	344.05	6.74	-107.38
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000559385	0	37	-2.0	-115.63	347.96	6.52	-109.11
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=N1	REAL300000559386	0	37	-2.0	-110.67	361.00	7.08	-103.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)=C1C	REAL300000559387	0	43	-2.0	-122.67	368.54	7.45	-115.22
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300000559388	0	37	-2.0	-116.10	336.46	6.24	-109.86
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300000559389	0	43	-2.0	-105.45	379.02	7.72	-97.73
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300000559390	0	34	-2.0	-112.44	324.17	5.20	-107.24
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(C)C)C=C1	REAL300000559391	0	40	-2.0	-119.59	346.41	6.95	-112.64
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000559392	0	41	-2.0	-103.50	362.05	6.46	-97.04
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)=N1	REAL300000559393	0	38	-2.0	-117.93	342.08	5.48	-112.45
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(C)C)C=C1	REAL300000559394	0	41	-2.0	-119.89	355.18	4.98	-114.91
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)=C1	REAL300000559395	0	37	-2.0	-109.69	344.55	5.82	-103.87
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000559396	0	43	-2.0	-122.14	366.89	7.44	-114.70
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300000559397	0	34	-2.0	-114.99	327.08	5.16	-109.83
COC1=CC(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)=CC(C(=O)[O-])=C1OC	REAL300000559398	0	45	-2.0	-118.71	389.30	5.98	-112.73
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000559399	0	41	-2.0	-125.90	362.74	6.20	-119.70
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300000559400	0	47	-2.0	-123.88	386.22	8.80	-115.08
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300000559401	0	46	-2.0	-123.16	389.33	8.13	-115.03
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(C)C)C=C1	REAL300000559402	0	43	-2.0	-118.89	365.56	7.84	-111.05
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(C)C)C=C1	REAL300000559403	0	44	-2.0	-126.37	385.87	6.70	-119.67
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=N1	REAL300000559404	0	39	-3.0	-194.79	359.38	6.74	-188.05
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300000559405	0	44	-2.0	-124.16	375.22	8.06	-116.10
CC1=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000559406	0	37	-2.0	-113.06	338.44	5.28	-107.78
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300000559407	0	43	-2.0	-124.47	377.60	5.90	-118.57
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)=C1	REAL300000559408	0	41	-2.0	-120.72	364.35	5.23	-115.49
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C3OCC(C(=O)[O-])CC3=C2)=N1	REAL300000559409	0	45	-2.0	-106.48	389.08	6.75	-99.73
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300000559410	0	37	-2.0	-108.74	363.11	6.98	-101.76
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300000559411	0	37	-2.0	-110.44	348.58	6.76	-103.68
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300000559412	0	41	-2.0	-102.99	382.55	6.96	-96.03
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)=CC=C1OCC(=O)[O-]	REAL300000559413	0	44	-2.0	-105.14	386.60	7.12	-98.02
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=N1	REAL300000559414	0	47	-2.0	-102.20	410.73	7.43	-94.77
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(C)C)C=C1	REAL300000559415	0	40	-2.0	-109.69	351.69	6.99	-102.70
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)=CC=C1OCCCC(=O)[O-]	REAL300000559416	0	50	-2.0	-105.21	429.05	8.05	-97.16
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300000559417	0	41	-2.0	-103.85	372.74	6.48	-97.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000559418	0	44	-2.0	-125.21	380.13	7.15	-118.06
CC1=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300000559419	0	37	-2.0	-116.62	345.13	6.01	-110.61
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300000559420	0	37	-2.0	-107.62	359.21	7.18	-100.44
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000559421	0	37	-2.0	-102.64	344.03	6.73	-95.91
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000559422	0	37	-2.0	-105.63	339.97	6.17	-99.46
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300000559423	0	34	-2.0	-108.30	327.69	5.26	-103.04
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300000559424	0	37	-2.0	-109.17	337.39	6.24	-102.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)=C1F	REAL300000559425	0	40	-2.0	-117.71	356.74	6.88	-110.83
COC1=CC(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000559426	0	41	-2.0	-107.26	371.29	6.79	-100.47
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300000559427	0	37	-2.0	-104.85	336.44	6.25	-98.60
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300000559428	0	37	-2.0	-102.75	343.49	6.58	-96.17
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(C)C)C=C1	REAL300000559429	0	40	-2.0	-112.59	364.88	7.33	-105.26
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300000559430	0	45	-2.0	-101.33	394.73	7.59	-93.74
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000559431	0	37	-2.0	-106.76	341.79	6.27	-100.49
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300000559432	0	39	-2.0	-104.20	363.62	6.80	-97.40
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=N1	REAL300000559433	0	38	-2.0	-118.50	340.69	3.90	-114.60
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300000559434	0	40	-2.0	-109.46	353.17	6.96	-102.50
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300000559435	0	37	-2.0	-108.38	351.68	6.71	-101.67
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=NN(CC(C)C)C=C1	REAL300000559436	0	40	-2.0	-115.59	345.50	6.76	-108.83
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)=CC(C(=O)[O-])=C1F	REAL300000559437	0	40	-2.0	-118.11	360.26	6.78	-111.33
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(C)C)C=C1	REAL300000559438	0	40	-2.0	-105.36	346.39	6.94	-98.42
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)=CC(C(=O)[O-])=C1C	REAL300000559439	0	43	-2.0	-121.79	364.44	7.26	-114.53
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300000559440	0	39	-2.0	-116.84	361.99	7.23	-109.61
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300000559441	0	37	-2.0	-108.54	347.17	6.26	-102.28
CC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C(C)=C1C(=O)[O-]	REAL300000559442	0	43	-2.0	-119.84	369.91	7.50	-112.34
CC1=CC(F)=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000559443	0	40	-2.0	-117.43	352.45	6.77	-110.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)=C1Cl	REAL300000559444	0	40	-2.0	-116.04	362.74	7.30	-108.74
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)=C1	REAL300000559445	0	40	-2.0	-124.74	360.45	6.82	-117.92
CCC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000559446	0	43	-2.0	-120.70	365.30	7.36	-113.34
COC1=CC=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C=C1CC(=O)[O-]	REAL300000559447	0	44	-2.0	-120.42	381.45	6.31	-114.11
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=NN(CC(C)C)C=C1	REAL300000559448	0	40	-2.0	-108.64	361.70	7.31	-101.33
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300000559449	0	40	-2.0	-102.81	365.55	6.94	-95.87
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300000559450	0	40	-2.0	-116.00	362.19	7.13	-108.87
CCN1C=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000559451	0	41	-2.0	-119.22	363.45	6.35	-112.87
CC1=CC(C)=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C(C)=C1CC(=O)[O-]	REAL300000559452	0	49	-2.0	-118.74	396.13	9.05	-109.69
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(Cl)=C2F)=N1	REAL300000559453	0	37	-2.0	-106.93	361.04	6.69	-100.24
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000559454	0	40	-2.0	-111.77	360.84	7.14	-104.63
CC(C)CN1C=CC([N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=N1	REAL300000559455	0	46	-2.0	-116.10	384.87	8.22	-107.88
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000559456	0	41	-2.0	-120.87	375.76	6.75	-114.12
CC1=CC(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000559457	0	40	-2.0	-105.50	346.98	6.72	-98.78
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300000559458	0	42	-2.0	-110.58	374.24	8.36	-102.22
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=NN(CC(C)C)C=C1	REAL300000559459	0	40	-2.0	-116.91	350.52	7.01	-109.90
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300000559460	0	39	-2.0	-125.44	354.73	8.03	-117.41
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300000559461	0	37	-2.0	-122.47	334.64	6.21	-116.26
CC1=C(F)C=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C=C1C(=O)[O-]	REAL300000559462	0	40	-2.0	-109.93	352.13	6.75	-103.18
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300000559463	0	43	-2.0	-127.26	372.02	8.29	-118.97
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300000559464	0	36	-2.0	-116.10	327.97	4.23	-111.87
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=NN(CC(C)C)C=C1	REAL300000559465	0	41	-2.0	-111.15	363.64	5.94	-105.21
CC(C)CN1C=CC([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=N1	REAL300000559466	0	34	-2.0	-106.65	335.57	5.11	-101.54
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300000559467	0	44	-2.0	-113.49	381.56	8.02	-105.47
CC(C)CN1C=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300000559468	0	44	-2.0	-117.09	380.87	8.02	-109.07
CCC1=C(S(=O)(=O)[N-]C2=NN(CC(C)C)C=C2)C=C(C(=O)[O-])O1	REAL300000559469	0	40	-2.0	-112.94	357.57	6.12	-106.82
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000559472	1	44	-2.0	-109.03	367.50	8.79	-100.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCCCC2)C=C1	REAL300000559473	0	48	-2.0	-114.82	395.65	8.60	-106.22
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000559476	0	44	-2.0	-104.70	380.57	9.38	-95.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=CC=C1Cl	REAL300000559477	1	44	-2.0	-104.68	380.00	9.20	-95.48
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000559479	0	44	-2.0	-106.42	372.97	8.87	-97.55
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)C=C1	REAL300000559480	1	50	-2.0	-95.04	411.06	10.39	-84.65
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000559481	0	41	-2.0	-103.07	360.68	7.82	-95.25
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000559484	1	45	-2.0	-107.32	374.14	8.15	-99.17
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000559486	0	44	-2.0	-99.11	376.61	8.48	-90.63
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=CS1	REAL300000559488	1	41	-2.0	-104.54	359.15	7.84	-96.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000559492	0	44	-2.0	-102.65	370.52	7.94	-94.71
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000559493	0	48	-2.0	-110.03	396.46	7.89	-102.14
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2CCCCC2)C=C1	REAL300000559494	1	47	-2.0	-100.40	388.20	9.62	-90.78
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)C=C(C(=O)[O-])S1	REAL300000559495	1	44	-2.0	-106.32	376.10	8.69	-97.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)C(Cl)=C1	REAL300000559496	1	44	-2.0	-93.53	380.55	9.36	-84.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)C=C1F	REAL300000559497	1	44	-2.0	-95.45	372.02	8.84	-86.61
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)S1	REAL300000559498	0	41	-2.0	-97.83	359.75	7.92	-89.91
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000559499	1	44	-2.0	-99.66	373.90	8.87	-90.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=C1F	REAL300000559500	0	47	-2.0	-107.83	393.27	9.50	-98.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)C(F)=C1	REAL300000559501	0	44	-2.0	-95.48	372.96	8.87	-86.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=CC(F)=C1F	REAL300000559503	1	44	-2.0	-97.63	378.33	8.90	-88.73
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000559504	0	45	-2.0	-109.03	377.21	6.52	-102.51
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000559504	1	45	-2.0	-106.38	376.39	7.30	-99.08
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)C=C1	REAL300000559505	1	47	-2.0	-99.88	389.66	9.59	-90.29
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000559510	0	44	-2.0	-97.75	379.23	8.93	-88.82
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000559512	0	47	-2.0	-107.62	388.97	9.40	-98.22
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000559513	0	47	-2.0	-113.79	392.51	9.49	-104.30
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000559515	1	48	-2.0	-108.67	395.51	9.02	-99.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=C1F	REAL300000559518	0	44	-2.0	-113.04	371.14	8.84	-104.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300000559519	1	47	-2.0	-101.60	392.46	9.47	-92.13
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300000559520	0	43	-2.0	-106.75	363.71	6.92	-99.83
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2CCCCC2)C=C1	REAL300000559521	0	48	-2.0	-100.50	395.69	8.60	-91.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)=C(Cl)O1	REAL300000559522	0	41	-2.0	-96.36	367.65	7.78	-88.58
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4CCCCC4)C=C3)C=C2)CC1	REAL300000559523	1	51	-2.0	-102.88	413.62	10.69	-92.19
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4CCCCC4)C=C3)C=C2C1	REAL300000559524	1	51	-2.0	-105.69	412.94	10.69	-95.00
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3CCCCC3)C=C2)C=C(C(=O)[O-])O1	REAL300000559525	0	47	-2.0	-102.65	389.62	8.79	-93.86
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1	REAL300000559526	1	41	-2.0	-87.79	371.64	5.17	-82.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=CC=C1F	REAL300000559527	1	34	-2.0	-104.13	319.70	6.62	-97.51
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCF)=C1	REAL300000559528	0	42	-2.0	-105.39	374.77	7.67	-97.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559530	1	34	-2.0	-107.01	315.16	6.58	-100.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCF)=C1	REAL300000559531	0	38	-2.0	-112.48	343.30	6.38	-106.10
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1	REAL300000559532	1	38	-2.0	-93.91	346.63	7.88	-86.03
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559534	0	34	-2.0	-102.45	328.23	7.16	-95.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=CC=C1Cl	REAL300000559535	1	34	-2.0	-102.58	327.68	6.98	-95.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C(Cl)C=C1Cl	REAL300000559536	0	34	-2.0	-98.03	340.73	7.53	-90.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1C	REAL300000559537	1	40	-2.0	-110.05	347.84	7.93	-102.12
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559538	0	34	-2.0	-104.20	320.63	6.65	-97.55
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1	REAL300000559539	1	40	-2.0	-93.14	358.74	8.17	-84.97
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559540	0	31	-2.0	-101.21	308.34	5.60	-95.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCF)=C1	REAL300000559541	1	37	-2.0	-107.89	330.59	7.37	-100.52
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1C(=O)[O-]	REAL300000559543	1	35	-2.0	-105.34	321.81	5.93	-99.41
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559545	0	34	-2.0	-97.28	324.27	6.26	-91.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=CS1	REAL300000559547	0	31	-2.0	-102.64	306.81	5.62	-97.02
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=CC(C(=O)[O-])=C1OC	REAL300000559548	1	42	-2.0	-107.02	373.46	6.40	-100.62
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559550	1	44	-2.0	-111.91	370.40	9.21	-102.70
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCF)=C1	REAL300000559551	1	43	-2.0	-110.08	369.06	8.59	-101.49
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCF)=C1	REAL300000559552	1	40	-2.0	-106.14	345.30	8.30	-97.84
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCF)=C1	REAL300000559553	0	41	-2.0	-113.10	365.59	7.15	-105.95
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(CCF)=C2)=C1	REAL300000559554	0	37	-2.0	-109.66	350.28	7.01	-102.65
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559554	1	36	-3.0	-182.13	343.57	7.15	-174.98
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559555	1	41	-2.0	-112.16	359.42	8.49	-103.67
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C(C(=O)[O-])O1	REAL300000559556	0	34	-2.0	-100.83	318.16	5.72	-95.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=CC2=C1OCCO2	REAL300000559557	1	40	-2.0	-111.71	357.33	6.36	-105.35
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559558	0	38	-2.0	-107.87	344.14	5.67	-102.20
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=CC(Cl)=C1Cl	REAL300000559560	1	34	-2.0	-96.51	342.84	7.43	-89.08
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C(Cl)C=C1F	REAL300000559561	0	34	-2.0	-99.09	332.75	7.18	-91.91
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1Cl	REAL300000559562	1	38	-2.0	-91.12	362.26	7.40	-83.72
O=C([O-])CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1F	REAL300000559564	1	44	-2.0	-91.78	394.91	7.83	-83.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCF)=C1	REAL300000559565	1	37	-2.0	-98.31	335.86	7.40	-90.91
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1F	REAL300000559567	1	38	-2.0	-91.98	352.46	6.92	-85.06
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C(C(=O)[O-])S1	REAL300000559569	1	34	-2.0	-104.24	323.76	6.48	-97.76
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559570	0	34	-2.0	-96.21	343.37	7.61	-88.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C(Cl)=C1	REAL300000559571	0	34	-2.0	-91.77	328.21	7.15	-84.62
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1F	REAL300000559572	1	34	-2.0	-93.80	319.68	6.63	-87.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)S1	REAL300000559573	0	31	-2.0	-95.99	307.42	5.72	-90.27
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559574	1	34	-2.0	-97.70	321.57	6.65	-91.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1F	REAL300000559575	0	37	-2.0	-105.68	340.92	7.28	-98.40
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C(Cl)C=C1C(=O)[O-]	REAL300000559576	0	38	-2.0	-96.41	355.47	7.20	-89.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C(F)=C1	REAL300000559577	0	34	-2.0	-93.80	320.62	6.66	-87.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1Cl	REAL300000559578	1	34	-2.0	-91.89	327.65	6.99	-84.90
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCF)=C1	REAL300000559579	1	37	-2.0	-100.05	344.60	7.78	-92.27
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1	REAL300000559580	1	42	-2.0	-90.64	378.90	8.00	-82.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=CC(F)=C1F	REAL300000559581	1	34	-2.0	-95.87	325.99	6.68	-89.19
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559582	1	36	-2.0	-91.82	343.35	7.25	-84.57
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559583	0	35	-2.0	-106.71	324.87	4.30	-102.41
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(CCF)=C2)=C1	REAL300000559583	1	35	-2.0	-105.02	323.96	5.17	-99.85
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1	REAL300000559584	1	37	-2.0	-97.89	337.35	7.36	-90.53
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=CC(Cl)=C1F	REAL300000559585	1	34	-2.0	-97.28	335.87	7.12	-90.16
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCF)=C1	REAL300000559586	1	37	-2.0	-102.91	325.22	7.22	-95.69
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=CC(C(=O)[O-])=C1F	REAL300000559587	1	37	-2.0	-105.78	340.01	7.24	-98.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=CC=C1[N+](=O)[O-]	REAL300000559590	0	36	-2.0	-105.19	341.73	7.67	-97.52
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559591	0	34	-2.0	-95.76	326.91	6.71	-89.05
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1C(=O)[O-]	REAL300000559593	0	37	-2.0	-106.55	340.47	7.27	-99.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1Cl	REAL300000559594	0	37	-2.0	-104.26	346.92	7.72	-96.54
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559595	0	37	-2.0	-111.69	340.19	7.28	-104.41
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(CCF)=C1	REAL300000559598	1	37	-2.0	-96.22	341.42	7.76	-88.46
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1C(F)(F)F	REAL300000559599	1	37	-2.0	-90.85	345.28	7.40	-83.45
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=CC(C(=O)[O-])=C1Cl	REAL300000559600	1	37	-2.0	-104.42	346.38	7.55	-96.87
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1C(=O)[O-]	REAL300000559601	1	38	-2.0	-106.51	343.17	6.80	-99.71
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C(F)C(Cl)=C1F	REAL300000559603	0	34	-2.0	-94.40	340.74	7.14	-87.26
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1C(=O)[O-]	REAL300000559604	1	37	-2.0	-100.17	345.04	7.55	-92.62
CC(C)(C)C1=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C(C(=O)[O-])S1	REAL300000559605	0	43	-2.0	-103.88	364.62	8.72	-95.16
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1C(=O)[O-]	REAL300000559606	0	38	-2.0	-108.01	355.48	7.22	-100.79
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C([N+](=O)[O-])=C1	REAL300000559608	0	39	-2.0	-99.37	358.42	8.78	-90.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1[N+](=O)[O-]	REAL300000559610	0	36	-2.0	-113.85	338.90	8.45	-105.40
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1F	REAL300000559611	0	34	-2.0	-110.89	318.82	6.62	-104.27
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C1C(=O)[O-]	REAL300000559612	1	37	-2.0	-98.38	336.34	7.15	-91.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=CC2=CC=CC=C21	REAL300000559613	1	40	-2.0	-115.13	356.20	8.71	-106.42
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C1	REAL300000559614	0	33	-2.0	-104.67	311.38	4.72	-99.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCF)=C1	REAL300000559615	0	38	-2.0	-98.64	343.35	6.39	-92.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)=C(Cl)O1	REAL300000559616	0	31	-2.0	-94.58	315.30	5.57	-89.01
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CCF)=C3)C=C2)CC1	REAL300000559617	1	41	-2.0	-100.98	361.28	8.46	-92.52
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CCF)=C3)C=C2C1	REAL300000559618	1	41	-2.0	-104.66	360.59	8.46	-96.20
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(CCF)=C2)C=C(C(=O)[O-])O1	REAL300000559619	0	37	-2.0	-100.68	337.29	6.57	-94.11
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3)C=C2)=C1	REAL300000559620	1	41	-2.0	-106.78	365.74	9.11	-97.67
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)=C1	REAL300000559622	1	41	-2.0	-109.45	361.22	9.08	-100.37
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC(C)=C2)C=C1	REAL300000559623	0	45	-2.0	-115.21	389.35	8.88	-106.33
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)C=C2)=C1	REAL300000559624	1	45	-2.0	-96.17	392.66	10.38	-85.79
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C=C2)=C1	REAL300000559626	1	47	-2.0	-112.46	393.60	10.39	-102.07
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)C=C2)=C1	REAL300000559627	0	41	-2.0	-106.91	366.69	9.15	-97.76
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)C=C2)=C1	REAL300000559628	1	47	-2.0	-95.60	404.77	10.67	-84.93
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C=C2)=C1	REAL300000559629	0	38	-2.0	-103.55	354.39	8.11	-95.44
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C=C2)=C1	REAL300000559630	1	44	-2.0	-110.57	376.64	9.87	-100.70
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)C=C2)=C1	REAL300000559632	1	42	-2.0	-107.80	367.86	8.44	-99.36
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=CC(C)=CC=C3)C=C2)=C1	REAL300000559634	0	41	-2.0	-99.66	370.34	8.77	-90.89
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C=C2)=C1	REAL300000559636	0	38	-2.0	-105.05	352.86	8.12	-96.93
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC(C)=C2)C=C1	REAL300000559638	1	47	-2.0	-108.95	391.35	10.82	-98.13
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC(C)=CC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000559639	0	41	-2.0	-103.21	364.22	8.23	-94.98
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)C=C2)=C1	REAL300000559640	0	45	-2.0	-110.48	390.17	8.17	-102.31
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)C=C2)=C1	REAL300000559641	1	44	-2.0	-100.86	381.92	9.91	-90.95
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC(C)=CC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300000559642	1	41	-2.0	-106.88	369.81	8.97	-97.91
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)C=C2)=C1	REAL300000559643	1	41	-2.0	-96.06	365.72	9.12	-86.94
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C=C2)=C1	REAL300000559644	0	38	-2.0	-98.44	353.48	8.21	-90.23
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)C=C2)=C1	REAL300000559645	1	41	-2.0	-100.11	367.61	9.15	-90.96
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)C=C2)=C1	REAL300000559646	0	44	-2.0	-108.25	386.97	9.79	-98.46
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)C=C2)=C1	REAL300000559647	0	41	-2.0	-96.06	366.67	9.16	-86.90
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)C=C2)=C1	REAL300000559648	0	42	-2.0	-109.59	370.92	6.80	-102.79
CC1=CC=CC(C2=CC=C(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C=C2)=C1	REAL300000559648	1	42	-2.0	-107.54	370.13	7.59	-99.95
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)=C1	REAL300000559649	1	44	-2.0	-100.40	383.38	9.87	-90.53
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C=C2)=C1	REAL300000559650	1	44	-2.0	-106.53	375.03	9.82	-96.71
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)C=C2)=C1	REAL300000559651	1	44	-2.0	-108.10	386.04	9.74	-98.36
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)C=C2)=C1	REAL300000559655	0	44	-2.0	-107.98	382.68	9.68	-98.30
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)C=C2)=C1	REAL300000559656	0	44	-2.0	-114.23	386.22	9.78	-104.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC(C)=C3)C=C2)C=C1C(=O)[O-]	REAL300000559657	1	47	-2.0	-111.31	395.14	10.27	-101.04
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC(C)=C3)C=C2)C=C1C(=O)[O-]	REAL300000559658	1	45	-2.0	-109.00	389.23	9.31	-99.69
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)C=C2)=C1	REAL300000559661	0	41	-2.0	-113.42	364.82	9.11	-104.31
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)C=C2)=C1	REAL300000559662	1	44	-2.0	-101.99	386.17	9.76	-92.23
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C=C2)=C1	REAL300000559663	0	40	-2.0	-107.09	357.42	7.21	-99.88
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=CC=CC(C)=C2)C=C1	REAL300000559664	0	45	-2.0	-101.04	389.41	8.89	-92.15
CC1=CC=CC(C2=CC=C([N-]S(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)C=C2)=C1	REAL300000559665	0	38	-2.0	-96.92	361.36	8.08	-88.84
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=CC=CC(C)=C3)C=C2)C=C(C(=O)[O-])O1	REAL300000559666	0	44	-2.0	-103.13	383.33	9.08	-94.05
CC(C)(C)C1=CSC([N-]C(=O)C(C#N)=CC2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300000559714	1	44	-2.0	-92.14	393.92	8.40	-83.74
CC(C)(C)C1=CSC([N-]C(=O)C(C#N)=CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300000559715	1	40	-2.0	-93.67	363.24	8.11	-85.56
CC(C)(C)C1=CSC([N-]C(=O)C(C#N)=CC2=CC=CC(OCCC(=O)[O-])=C2)=N1	REAL300000559716	1	47	-2.0	-94.55	414.06	8.50	-86.05
CC(C)(C)C1=CSC([N-]C(=O)C(C#N)=CC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300000559717	1	44	-2.0	-105.46	393.11	8.37	-97.09
CC(C)(C)C1=CSC([N-]C(=O)C(C#N)=CC2=NNC3=CC(C(=O)[O-])=CC=C23)=N1	REAL300000559718	1	43	-2.0	-90.21	391.50	7.29	-82.92
CC(C)(C)C1=CSC([N-]C(=O)C(C#N)=CC2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300000559719	1	40	-2.0	-87.62	377.35	8.52	-79.10
CC(OC1=CC=C(C=C(C#N)C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C=C1)C(=O)[O-]	REAL300000559720	1	47	-2.0	-92.62	411.32	8.98	-83.64
CC(C)(C)C1=CSC([N-]C(=O)C(C#N)=CC2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300000559721	1	40	-2.0	-96.66	366.50	8.13	-88.53
CC(C)(C)C1=CSC([N-]C(=O)C(C#N)=CC2=CC=C(C=CC(=O)[O-])O2)=N1	REAL300000559722	1	41	-2.0	-108.14	379.87	8.06	-100.08
COC1=CC(C=C(C#N)C(=O)[N-]C2=NC(C(C)(C)C)=CS2)=CC=C1C(=O)[O-]	REAL300000559723	1	44	-2.0	-98.65	390.52	8.17	-90.48
COC1=CC(C(=O)[O-])=CC=C1C=C(C#N)C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300000559724	1	44	-2.0	-92.56	391.38	7.43	-85.13
COC1=CC(C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])=CC([N+](=O)[O-])=C1[O-]	REAL300000559952	0	39	-2.0	-108.04	357.37	8.28	-99.76
N#CC(=CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000559956	0	39	-2.0	-105.74	353.81	9.56	-96.18
COC1=CC(C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300000559962	1	37	-2.0	-103.21	347.41	7.32	-95.89
CCOC1=CC(C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300000559964	1	40	-2.0	-104.82	368.99	8.23	-96.59
N#CC(=CC1=CC=C([O-])C(Br)=C1)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000559968	0	33	-2.0	-100.35	322.33	7.30	-93.05
N#CC(=CC1=CC=C([O-])C([N+](=O)[O-])=C1)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000559974	0	35	-2.0	-97.30	328.00	8.45	-88.85
N#CC(=CC1=CC=CC=C1OCC(=O)[O-])C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000559996	0	39	-2.0	-102.97	353.52	9.56	-93.41
N#CC(=CC1=CC=C(C(=O)[O-])C=C1)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560020	0	35	-2.0	-106.09	323.08	9.26	-96.83
COC1=CC(C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300000560035	0	43	-2.0	-107.91	383.45	9.31	-98.60
N#CC(=CC1=CC=CC(OCCC(=O)[O-])=C1)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560174	0	42	-2.0	-107.24	373.67	9.64	-97.60
N#CC(=CC1=CC=C([N+](=O)[O-])C([O-])=C1)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560178	0	35	-2.0	-95.08	326.63	8.39	-86.69
N#CC(=CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560213	0	39	-2.0	-118.12	352.73	9.51	-108.61
COC1=CC=C(C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])C(OCC(=O)[O-])=C1	REAL300000560221	0	43	-2.0	-105.84	382.64	8.87	-96.97
N#CC(=CC1=CC(F)=C([O-])C(F)=C1)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560251	0	33	-2.0	-103.94	314.37	6.77	-97.17
N#CC(=CC1=NNC2=CC(C(=O)[O-])=CC=C12)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560298	0	38	-2.0	-101.92	348.94	8.22	-93.70
N#CC(=CC1=C2C=CC(C(=O)[O-])=CC2=NN1)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560298	1	38	-2.0	-101.92	348.94	8.22	-93.70
N#CC(=CC1=CC=C(C(=O)[O-])C=C1Cl)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560343	0	35	-2.0	-98.50	337.85	9.66	-88.84
CC(OC1=CC=C(C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])C=C1)C(=O)[O-]	REAL300000560411	0	42	-2.0	-106.28	371.67	10.16	-96.12
N#CC(=CC1=CC=CC(O)=C1Cl)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560441	0	33	-2.0	-95.44	318.29	7.11	-88.33
N#CC(=CC1=CC=CC([O-])=C1Cl)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560441	1	33	-2.0	-95.44	318.29	7.11	-88.33
N#CC(=CC1=CC=CC(O)=C1Br)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560451	0	33	-2.0	-94.75	322.20	7.20	-87.55
N#CC(=CC1=CC=CC([O-])=C1Br)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560451	1	33	-2.0	-94.75	322.20	7.20	-87.55
N#CC(=CC1=CC=C(O)C=C1F)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560485	0	33	-2.0	-94.91	309.71	6.71	-88.20
N#CC(=CC1=CC=C([O-])C=C1F)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560485	1	33	-2.0	-94.91	309.71	6.71	-88.20
N#CC(=CC1=CC=CC(O)=C1F)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560500	0	33	-2.0	-99.02	309.65	6.67	-92.35
N#CC(=CC1=CC=CC([O-])=C1F)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560500	1	33	-2.0	-99.02	309.65	6.67	-92.35
N#CC(=CC1=CC=C(C(=O)[O-])C(F)=C1)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560502	0	35	-2.0	-109.90	326.10	9.27	-100.63
N#CC(=CC1=CC=C(C=CC(=O)[O-])O1)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560506	0	36	-2.0	-123.16	340.94	9.22	-113.94
N#CC(=CC1=CC=C([O-])C(F)=C1F)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560572	0	33	-2.0	-94.83	315.81	6.77	-88.06
CC1=C(C(=O)[O-])C=C(C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])O1	REAL300000560586	0	35	-2.0	-100.60	326.29	8.44	-92.16
COC(=O)C1=CC2=C(C=C(C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)[O-])O2)N1	REAL300000560622	0	39	-2.0	-102.47	362.58	7.35	-95.12
COC(=O)C1=CC2=C(C=C(C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)[O-])O2)[N-]1	REAL300000560622	1	39	-2.0	-102.47	362.58	7.35	-95.12
COC1=CC(C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300000560635	0	39	-2.0	-111.27	350.32	9.32	-101.95
COC1=CC(C(=O)[O-])=CC=C1C=C(C#N)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000560781	0	39	-2.0	-102.72	353.58	8.61	-94.11
O=C([O-])C1=CC=C(C=C2SC(=S)N(C3=CC=CC(C(=O)[O-])=C3)C2=O)C=C1	REAL300000560840	0	35	-2.0	-104.13	350.81	11.47	-92.66
O=C([O-])C1=CC=CC(N2C(=O)C(=CC3=CC=C(O)C(Cl)=C3)SC2=S)=C1	REAL300000560899	0	33	-2.0	-95.96	343.97	9.34	-86.62
O=C([O-])C1=CC=CC(N2C(=O)C(=CC3=CC=C([O-])C(Cl)=C3)SC2=S)=C1	REAL300000560899	1	33	-2.0	-95.96	343.97	9.34	-86.62
O=C([O-])C1=CC=CC(N2C(=O)C(=CC3=CC(F)=C(O)C(F)=C3)SC2=S)=C1	REAL300000560924	0	33	-2.0	-97.10	341.61	9.09	-88.01
O=C([O-])C1=CC=CC(N2C(=O)C(=CC3=CC(F)=C([O-])C(F)=C3)SC2=S)=C1	REAL300000560924	1	33	-2.0	-97.10	341.61	9.09	-88.01
O=C([O-])C1=CC=CC(N2C(=O)C(=CC3=CC=CC([O-])=C3Cl)SC2=S)=C1	REAL300000561010	1	33	-2.0	-94.21	343.25	9.26	-84.95
O=C([O-])C1=CC=CC(N2C(=O)C(=CC3=CC(F)=CC(F)=C3[O-])SC2=S)=C1	REAL300000561056	1	33	-2.0	-92.26	341.08	8.99	-83.27
O=C([O-])C1=CC=CC(N2C(=O)C(=CC3=CC=C([O-])C(F)=C3F)SC2=S)=C1	REAL300000561063	1	33	-2.0	-92.08	340.51	8.96	-83.12
CC1=C(C(=O)[O-])C=C(C=C2SC(=S)N(C3=CC=CC(C(=O)[O-])=C3)C2=O)O1	REAL300000561071	0	35	-2.0	-99.45	354.74	10.79	-88.66
O=C([O-])C1=CC=CC(N2C(=O)C(=CC3=CC(F)=C(F)C=C3[O-])SC2=S)=C1	REAL300000561120	1	33	-2.0	-88.53	341.15	8.98	-79.55
COC1=CC(C=C(C#N)C(=O)NC2=CC=C(C(=O)[O-])C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300000561221	0	39	-2.0	-99.45	362.47	7.91	-91.54
N#CC(=CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561225	0	39	-2.0	-99.04	358.29	9.20	-89.84
COC1=CC(C=C(C#N)C(=O)NC2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300000561231	1	37	-2.0	-94.83	353.02	6.94	-87.89
CCOC1=CC(C=C(C#N)C(=O)NC2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300000561233	1	40	-2.0	-95.05	374.87	7.87	-87.18
N#CC(=CC1=CC=C([O-])C(Br)=C1)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561237	0	33	-2.0	-90.39	328.22	6.94	-83.45
N#CC(=CC1=CC=C([O-])C([N+](=O)[O-])=C1)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561243	0	35	-2.0	-92.18	333.61	8.09	-84.09
N#CC(=CC1=CC=CC=C1OCC(=O)[O-])C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561265	0	39	-2.0	-103.60	358.11	9.22	-94.38
N#CC(=CC1=CC=C(C(=O)[O-])C=C1)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561289	0	35	-2.0	-100.79	327.91	8.90	-91.89
COC1=CC(C=C(C#N)C(=O)NC2=CC=C(C(=O)[O-])C=C2)=CC=C1OCC(=O)[O-]	REAL300000561304	0	43	-2.0	-103.48	387.76	8.94	-94.54
N#CC(=CC1=CC=CC(OCCC(=O)[O-])=C1)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561443	0	42	-2.0	-99.60	379.15	9.30	-90.30
N#CC(=CC1=CC=C([N+](=O)[O-])C([O-])=C1)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561447	0	35	-2.0	-92.57	332.08	8.05	-84.52
N#CC(=CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561482	0	39	-2.0	-106.86	358.20	9.17	-97.69
COC1=CC=C(C=C(C#N)C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(OCC(=O)[O-])=C1	REAL300000561490	0	43	-2.0	-103.87	386.89	8.52	-95.35
N#CC(=CC1=CC(F)=C([O-])C(F)=C1)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561520	0	33	-2.0	-95.71	319.70	6.43	-89.28
N#CC(=CC1=NNC2=CC(C(=O)[O-])=CC=C12)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561567	0	38	-2.0	-100.00	353.22	7.92	-92.08
N#CC(=CC1=C2C=CC(C(=O)[O-])=CC2=NN1)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561567	1	38	-2.0	-100.00	353.22	7.92	-92.08
N#CC(=CC1=CC=C(C(=O)[O-])C=C1Cl)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561612	0	35	-2.0	-94.98	343.77	9.34	-85.64
CC(OC1=CC=C(C=C(C#N)C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300000561680	0	42	-2.0	-99.75	376.14	9.80	-89.95
N#CC(=CC1=CC=CC(O)=C1Cl)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561710	0	33	-2.0	-90.17	321.10	6.73	-83.44
N#CC(=CC1=CC=CC([O-])=C1Cl)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561710	1	33	-2.0	-90.17	321.10	6.73	-83.44
N#CC(=CC1=CC=CC(O)=C1Br)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561720	0	33	-2.0	-89.44	325.00	6.81	-82.63
N#CC(=CC1=CC=CC([O-])=C1Br)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561720	1	33	-2.0	-89.44	325.00	6.81	-82.63
N#CC(=CC1=CC=C(O)C=C1F)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561754	0	33	-2.0	-88.19	312.77	6.33	-81.86
N#CC(=CC1=CC=C([O-])C=C1F)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561754	1	33	-2.0	-88.19	312.77	6.33	-81.86
N#CC(=CC1=CC=CC(O)=C1F)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561769	0	33	-2.0	-93.95	312.67	6.29	-87.66
N#CC(=CC1=CC=CC([O-])=C1F)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561769	1	33	-2.0	-93.95	312.67	6.29	-87.66
N#CC(=CC1=CC=C(C(=O)[O-])C(F)=C1)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561771	0	35	-2.0	-104.33	331.60	8.92	-95.41
N#CC(=CC1=CC=C(C=CC(=O)[O-])O1)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561775	0	36	-2.0	-108.77	345.25	8.86	-99.91
N#CC(=CC1=CC=C([O-])C(F)=C1F)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000561841	0	33	-2.0	-89.22	318.85	6.39	-82.83
CC1=C(C(=O)[O-])C=C(C=C(C#N)C(=O)NC2=CC=C(C(=O)[O-])C=C2)O1	REAL300000561855	0	35	-2.0	-95.80	330.33	8.09	-87.71
COC(=O)C1=CC2=C(C=C(C=C(C#N)C(=O)NC3=CC=C(C(=O)[O-])C=C3)O2)N1	REAL300000561891	0	39	-2.0	-91.36	366.89	7.00	-84.36
COC(=O)C1=CC2=C(C=C(C=C(C#N)C(=O)NC3=CC=C(C(=O)[O-])C=C3)O2)[N-]1	REAL300000561891	1	39	-2.0	-91.36	366.89	7.00	-84.36
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CC(OC1=CC=C(C=C2SC(=S)N(CCCC(=O)[O-])C2=O)C=C1)C(=O)[O-]	REAL300000563443	0	41	-2.0	-100.41	381.82	10.81	-89.60
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CC1=C(C(=O)[O-])C=C(C=C2SC(=S)N(CCCC(=O)[O-])C2=O)O1	REAL300000563606	0	34	-2.0	-95.22	336.91	9.24	-85.98
COC1=CC(C=C2SC(=S)N(CCCC(=O)[O-])C2=O)=CC=C1C(=O)[O-]	REAL300000563652	0	38	-2.0	-102.72	360.08	10.04	-92.68
O=C([O-])CCCN1C(=O)C(=CC2=CC(F)=C(F)C=C2[O-])SC1=S	REAL300000563694	1	32	-2.0	-83.93	323.37	7.45	-76.48
COC1=CC([O-])=C(Cl)C=C1C=C1SC(=S)N(CCCC(=O)[O-])C1=O	REAL300000563740	1	36	-2.0	-88.05	356.14	7.19	-80.86
COC1=CC(C(=O)[O-])=CC=C1C=C1SC(=S)N(CCCC(=O)[O-])C1=O	REAL300000563790	0	38	-2.0	-95.94	361.04	9.23	-86.71
COC1=CC(C=C2SC(=S)N(CC(=O)[O-])C2=O)=CC([N+](=O)[O-])=C1[O-]	REAL300000563813	0	32	-2.0	-96.64	324.51	7.69	-88.95
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O=C([O-])CN1C(=O)C(=CC2=CC(Cl)=CC(Cl)=C2[O-])SC1=S	REAL300000563826	0	26	-2.0	-88.49	300.88	7.15	-81.34
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O=C([O-])CN1C(=O)C(=CC2=CC=C([O-])C([N+](=O)[O-])=C2)SC1=S	REAL300000563839	0	28	-2.0	-89.98	295.33	7.87	-82.11
O=C([O-])COC1=CC=CC=C1C=C1SC(=S)N(CC(=O)[O-])C1=O	REAL300000563861	0	32	-2.0	-109.13	320.25	9.00	-100.13
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COC1=CC(C=C2SC(=S)N(CC(=O)[O-])C2=O)=CC=C1OCC(=O)[O-]	REAL300000563901	0	36	-2.0	-102.17	350.61	8.73	-93.44
O=C([O-])CCOC1=CC=CC(C=C2SC(=S)N(CC(=O)[O-])C2=O)=C1	REAL300000564069	0	35	-2.0	-101.77	342.35	9.08	-92.69
O=C([O-])CN1C(=O)C(=CC2=CC=C([N+](=O)[O-])C([O-])=C2)SC1=S	REAL300000564073	0	28	-2.0	-90.13	295.29	7.82	-82.31
O=C([O-])CN1C(=O)C(=CC2=CC=C(O)C(Cl)=C2)SC1=S	REAL300000564080	0	26	-2.0	-88.79	285.36	6.61	-82.18
O=C([O-])CN1C(=O)C(=CC2=CC=C([O-])C(Cl)=C2)SC1=S	REAL300000564080	1	26	-2.0	-88.79	285.36	6.61	-82.18
O=C([O-])COC1=CC=C(C=C2SC(=S)N(CC(=O)[O-])C2=O)C=C1[N+](=O)[O-]	REAL300000564099	0	34	-2.0	-108.10	347.38	10.16	-97.94
O=C([O-])COC1=CC=CC(C=C2SC(=S)N(CC(=O)[O-])C2=O)=C1	REAL300000564114	0	32	-2.0	-110.93	321.40	8.95	-101.98
COC1=CC=C(C=C2SC(=S)N(CC(=O)[O-])C2=O)C(OCC(=O)[O-])=C1	REAL300000564121	0	36	-2.0	-108.28	349.64	8.29	-99.99
O=C([O-])CN1C(=O)C(=CC2=CC=C(OC(F)(F)C(=O)[O-])C=C2)SC1=S	REAL300000564128	0	32	-2.0	-95.72	330.73	8.52	-87.20
O=C([O-])CN1C(=O)C(=CC2=CC(F)=C(O)C(F)=C2)SC1=S	REAL300000564156	0	26	-2.0	-93.88	281.75	6.19	-87.69
O=C([O-])CN1C(=O)C(=CC2=CC(F)=C([O-])C(F)=C2)SC1=S	REAL300000564156	1	26	-2.0	-93.88	281.75	6.19	-87.69
COC1=C2OC(C(=O)[O-])=CC2=C(C=C2SC(=S)N(CC(=O)[O-])C2=O)C=C1	REAL300000564161	0	35	-2.0	-104.02	348.85	8.71	-95.31
O=C([O-])CN1C(=O)C(=CC2=CC(Cl)=CC(F)=C2O)SC1=S	REAL300000564196	0	26	-2.0	-90.60	291.08	6.68	-83.92
O=C([O-])CN1C(=O)C(=CC2=CC(Cl)=CC(F)=C2[O-])SC1=S	REAL300000564196	1	26	-2.0	-90.60	291.08	6.68	-83.92
O=C([O-])CN1C(=O)C(=CC2=NNC3=CC(C(=O)[O-])=CC=C23)SC1=S	REAL300000564207	0	31	-2.0	-96.16	316.80	7.69	-88.47
O=C([O-])CN1C(=O)C(=CC2=C3C=CC(C(=O)[O-])=CC3=NN2)SC1=S	REAL300000564207	1	31	-2.0	-96.16	316.80	7.69	-88.47
O=C([O-])CN1C(=O)C(=CC2=CC=C(C(=O)[O-])C=C2Cl)SC1=S	REAL300000564255	0	28	-2.0	-91.21	304.45	9.07	-82.14
CC(OC1=CC=C(C=C2SC(=S)N(CC(=O)[O-])C2=O)C=C1)C(=O)[O-]	REAL300000564329	0	35	-2.0	-100.57	340.85	9.65	-90.92
O=C([O-])CN1C(=O)C(=CC2=CC(Cl)=C(F)C=C2O)SC1=S	REAL300000564354	0	26	-2.0	-86.68	290.72	6.66	-80.02
O=C([O-])CN1C(=O)C(=CC2=CC(Cl)=C(F)C=C2[O-])SC1=S	REAL300000564354	1	26	-2.0	-86.68	290.72	6.66	-80.02
O=C([O-])CN1C(=O)C(=CC2=CC=CC(O)=C2Cl)SC1=S	REAL300000564360	0	26	-2.0	-90.19	282.90	6.48	-83.71
O=C([O-])CN1C(=O)C(=CC2=CC=CC([O-])=C2Cl)SC1=S	REAL300000564360	1	26	-2.0	-90.19	282.90	6.48	-83.71
O=C([O-])CN1C(=O)C(=CC2=CC=C(C(=O)[O-])C(F)=C2)SC1=S	REAL300000564423	0	28	-2.0	-101.92	294.79	8.70	-93.22
O=C([O-])C=CC1=CC=C(C=C2SC(=S)N(CC(=O)[O-])C2=O)O1	REAL300000564427	0	29	-2.0	-112.59	311.10	7.21	-105.38
O=C([O-])CN1C(=O)C(=CC2=CC(Br)=CC(F)=C2O)SC1=S	REAL300000564488	0	26	-2.0	-90.52	295.65	6.78	-83.74
O=C([O-])CN1C(=O)C(=CC2=CC(Br)=CC(F)=C2[O-])SC1=S	REAL300000564488	1	26	-2.0	-90.52	295.65	6.78	-83.74
O=C([O-])CN1C(=O)C(=CC2=CC(F)=CC(F)=C2O)SC1=S	REAL300000564489	0	26	-2.0	-89.88	280.77	6.25	-83.63
O=C([O-])CN1C(=O)C(=CC2=CC(F)=CC(F)=C2[O-])SC1=S	REAL300000564489	1	26	-2.0	-89.88	280.77	6.25	-83.63
O=C([O-])CN1C(=O)C(=CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)C=C2)SC1=S	REAL300000564510	0	38	-2.0	-104.76	364.17	12.08	-92.68
O=C([O-])CN1C(=O)C(=CC2=CC=C(O)C(F)=C2F)SC1=S	REAL300000564512	0	26	-2.0	-87.30	280.87	6.17	-81.13
O=C([O-])CN1C(=O)C(=CC2=CC=C([O-])C(F)=C2F)SC1=S	REAL300000564512	1	26	-2.0	-87.30	280.87	6.17	-81.13
CC1=C(C(=O)[O-])C=C(C=C2SC(=S)N(CC(=O)[O-])C2=O)O1	REAL300000564529	0	28	-2.0	-94.81	294.39	8.02	-86.79
O=C([O-])CN1C(=O)C(=CC2=NC=C(Br)C=C2O)SC1=S	REAL300000564573	0	25	-2.0	-90.88	287.55	5.84	-85.04
O=C([O-])CN1C(=O)C(=CC2=NC=C(Br)C=C2[O-])SC1=S	REAL300000564573	1	25	-2.0	-90.88	287.55	5.84	-85.04
COC1=CC(C=C2SC(=S)N(CC(=O)[O-])C2=O)=CC=C1C(=O)[O-]	REAL300000564590	0	32	-2.0	-101.50	317.55	8.82	-92.68
O=C([O-])CN1C(=O)C(=CC2=CC(F)=C(F)C=C2O)SC1=S	REAL300000564638	0	26	-2.0	-85.99	280.85	6.22	-79.77
O=C([O-])CN1C(=O)C(=CC2=CC(F)=C(F)C=C2[O-])SC1=S	REAL300000564638	1	26	-2.0	-85.99	280.85	6.22	-79.77
COC1=CC(O)=C(Cl)C=C1C=C1SC(=S)N(CC(=O)[O-])C1=O	REAL300000564694	0	30	-2.0	-89.51	313.61	5.97	-83.54
COC1=CC([O-])=C(Cl)C=C1C=C1SC(=S)N(CC(=O)[O-])C1=O	REAL300000564694	1	30	-2.0	-89.51	313.61	5.97	-83.54
COC1=CC(C(=O)[O-])=CC=C1C=C1SC(=S)N(CC(=O)[O-])C1=O	REAL300000564758	0	32	-2.0	-95.59	318.50	7.99	-87.60
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N#CC(=CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)[N-]C1=NC=CS1	REAL300000564794	1	32	-2.0	-90.97	315.21	6.27	-84.70
N#CC(=CC1=CC=CC=C1OCC(=O)[O-])C(=O)NC1=NC=CS1	REAL300000564795	0	32	-2.0	-104.27	314.43	6.28	-97.99
N#CC(=CC1=CC=CC=C1OCC(=O)[O-])C(=O)[N-]C1=NC=CS1	REAL300000564795	1	32	-2.0	-104.27	314.43	6.28	-97.99
COC1=CC(C=C(C#N)C(=O)NC2=NC=CS2)=CC=C1OCC(=O)[O-]	REAL300000564796	0	36	-2.0	-94.11	344.74	6.02	-88.09
COC1=CC(C=C(C#N)C(=O)[N-]C2=NC=CS2)=CC=C1OCC(=O)[O-]	REAL300000564796	1	36	-2.0	-94.11	344.74	6.02	-88.09
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COC1=CC=C(C=C(C#N)C(=O)NC2=NC=CS2)C(OCC(=O)[O-])=C1	REAL300000564800	0	36	-2.0	-103.76	343.15	5.58	-98.18
COC1=CC=C(C=C(C#N)C(=O)[N-]C2=NC=CS2)C(OCC(=O)[O-])=C1	REAL300000564800	1	36	-2.0	-103.76	343.15	5.58	-98.18
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N#CC(=CC1=CC=C(OC(F)(F)C(=O)[O-])C=C1)C(=O)[N-]C1=NC=CS1	REAL300000564801	1	32	-2.0	-88.75	324.53	5.81	-82.94
COC1=C2OC(C(=O)[O-])=CC2=C(C=C(C#N)C(=O)NC2=NC=CS2)C=C1	REAL300000564802	0	35	-2.0	-96.18	342.24	5.98	-90.20
COC1=C2OC(C(=O)[O-])=CC2=C(C=C(C#N)C(=O)[N-]C2=NC=CS2)C=C1	REAL300000564802	1	35	-2.0	-96.18	342.24	5.98	-90.20
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N#CC(=CC1=NNC2=CC(C(=O)[O-])=CC=C12)C(=O)[N-]C1=NC=CS1	REAL300000564803	1	31	-2.0	-89.54	312.78	5.16	-84.38
N#CC(=CC1=CC=C(C(=O)[O-])C=C1Cl)C(=O)NC1=NC=CS1	REAL300000564804	0	28	-2.0	-86.95	298.63	6.38	-80.57
N#CC(=CC1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[N-]C1=NC=CS1	REAL300000564804	1	28	-2.0	-86.95	298.63	6.38	-80.57
CC(OC1=CC=C(C=C(C#N)C(=O)NC2=NC=CS2)C=C1)C(=O)[O-]	REAL300000564805	0	35	-2.0	-91.65	332.59	6.85	-84.80
CC(OC1=CC=C(C=C(C#N)C(=O)[N-]C2=NC=CS2)C=C1)C(=O)[O-]	REAL300000564805	1	35	-2.0	-91.65	332.59	6.85	-84.80
N#CC(=CC1=CC=C(C(=O)[O-])C(F)=C1)C(=O)NC1=NC=CS1	REAL300000564806	0	28	-2.0	-95.05	287.78	5.98	-89.07
N#CC(=CC1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[N-]C1=NC=CS1	REAL300000564806	1	28	-2.0	-95.05	287.78	5.98	-89.07
N#CC(=CC1=CC=C(C=CC(=O)[O-])O1)C(=O)NC1=NC=CS1	REAL300000564807	0	29	-2.0	-105.48	301.15	5.92	-99.56
N#CC(=CC1=CC=C(C=CC(=O)[O-])O1)C(=O)[N-]C1=NC=CS1	REAL300000564807	1	29	-2.0	-105.48	301.15	5.92	-99.56
N#CC(=CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)C=C1)C(=O)NC1=NC=CS1	REAL300000564808	0	38	-2.0	-93.31	357.33	9.37	-83.94
N#CC(=CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)C=C1)C(=O)[N-]C1=NC=CS1	REAL300000564808	1	38	-2.0	-93.31	357.33	9.37	-83.94
CC1=C(C(=O)[O-])C=C(C=C(C#N)C(=O)NC2=NC=CS2)O1	REAL300000564809	0	28	-2.0	-90.68	286.52	5.15	-85.53
CC1=C(C(=O)[O-])C=C(C=C(C#N)C(=O)[N-]C2=NC=CS2)O1	REAL300000564809	1	28	-2.0	-90.68	286.52	5.15	-85.53
N#CC(=CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)S1)C(=O)NC1=NC=CS1	REAL300000564810	0	35	-2.0	-95.82	349.19	8.75	-87.07
N#CC(=CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)S1)C(=O)[N-]C1=NC=CS1	REAL300000564810	1	35	-2.0	-95.82	349.19	8.75	-87.07
COC1=CC(C=C(C#N)C(=O)NC2=NC=CS2)=CC=C1C(=O)[O-]	REAL300000564811	0	32	-2.0	-97.36	311.80	6.03	-91.33
COC1=CC(C=C(C#N)C(=O)[N-]C2=NC=CS2)=CC=C1C(=O)[O-]	REAL300000564811	1	32	-2.0	-97.36	311.80	6.03	-91.33
COC1=CC(C(=O)[O-])=CC=C1C=C(C#N)C(=O)NC1=NC=CS1	REAL300000564812	0	32	-2.0	-91.80	312.68	5.29	-86.51
COC1=CC(C(=O)[O-])=CC=C1C=C(C#N)C(=O)[N-]C1=NC=CS1	REAL300000564812	1	32	-2.0	-91.80	312.68	5.29	-86.51
O=C([O-])C1=CC=CC=C1COC1=CC(C=C2SC(=O)[N-]C2=O)=CC=C1	REAL300000565623	0	36	-2.0	-93.18	330.54	4.97	-88.21
O=C([O-])COC1=CC=C(C=C2SC(=O)[N-]C2=O)C=C1[N+](=O)[O-]	REAL300000565624	0	28	-2.0	-88.60	283.52	3.16	-85.44
CC1=C(C(=O)[O-])OC(COC2=CC=C(C=C3SC(=O)[N-]C3=O)C=C2)=C1	REAL300000565625	0	36	-2.0	-95.71	338.51	4.06	-91.65
O=C([O-])C1=CC(COC2=CC(C=C3SC(=O)[N-]C3=O)=CC=C2)=CC=C1	REAL300000565626	0	36	-2.0	-95.27	337.78	4.98	-90.29
O=C([O-])C(F)(F)OC1=CC=C(C=C2SC(=O)[N-]C2=O)C=C1	REAL300000565627	1	26	-2.0	-81.31	266.79	2.17	-79.14
O=C([O-])COC1=CC=C(C=C2SC(=O)[N-]C2=O)C=C1Br	REAL300000565628	0	26	-2.0	-85.64	277.94	2.63	-83.01
COC1=C2OC(C(=O)[O-])=CC2=C(C=C2SC(=O)[N-]C2=O)C=C1	REAL300000565629	0	29	-2.0	-91.87	284.99	1.73	-90.14
O=C([O-])C1=CN(CCOC2=CC=C(C=C3SC(=O)[N-]C3=O)C=C2Cl)N=N1	REAL300000565630	0	35	-2.0	-93.65	353.18	2.14	-91.51
COC1=CC(C=C2SC(=O)[N-]C2=O)=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000565631	0	33	-2.0	-94.64	322.99	3.21	-91.43
COC1=CC(C=C2SC(=S)[N-]C2=O)=CC=C1OCC(=O)[O-]	REAL300000565640	0	30	-2.0	-91.13	298.89	4.57	-86.56
O=C([O-])COC1=CC=C(Br)C=C1C=C1SC(=S)[N-]C1=O	REAL300000565641	0	26	-2.0	-92.62	289.84	5.46	-87.16
O=C([O-])CCOC1=CC=CC(C=C2SC(=S)[N-]C2=O)=C1	REAL300000565642	0	29	-2.0	-90.36	290.63	4.95	-85.41
O=C([O-])C1=CC=CC=C1COC1=CC(C=C2SC(=S)[N-]C2=O)=CC=C1	REAL300000565643	0	36	-2.0	-92.38	342.70	7.80	-84.58
O=C([O-])COC1=CC=C(C=C2SC(=S)[N-]C2=O)C=C1[N+](=O)[O-]	REAL300000565644	0	28	-2.0	-88.91	295.68	5.98	-82.93
CC1=C(C(=O)[O-])OC(COC2=CC=C(C=C3SC(=S)[N-]C3=O)C=C2)=C1	REAL300000565645	0	36	-2.0	-96.09	350.67	6.88	-89.21
O=C([O-])C1=CC(COC2=CC(C=C3SC(=S)[N-]C3=O)=CC=C2)=CC=C1	REAL300000565646	0	36	-2.0	-94.88	349.94	7.81	-87.07
COC1=CC(C=C2SC(=S)[N-]C2=O)=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300000565647	0	32	-2.0	-82.84	323.46	5.29	-77.55
COC1=CC=C(C=C2SC(=S)[N-]C2=O)C(OCC(=O)[O-])=C1	REAL300000565648	0	30	-2.0	-95.96	297.94	4.15	-91.81
O=C([O-])C(F)(F)OC1=CC=C(C=C2SC(=S)[N-]C2=O)C=C1	REAL300000565649	0	26	-2.0	-81.13	279.00	4.36	-76.77
O=C([O-])COC1=CC=C(C=C2SC(=S)[N-]C2=O)C=C1Br	REAL300000565650	0	26	-2.0	-85.47	290.09	5.46	-80.01
COC1=C2OC(C(=O)[O-])=CC2=C(C=C2SC(=S)[N-]C2=O)C=C1	REAL300000565651	0	29	-2.0	-90.39	297.15	4.56	-85.83
O=C([O-])C1=CC=C2C(C=C3SC(=S)[N-]C3=O)=NNC2=C1	REAL300000565652	0	25	-2.0	-85.66	269.01	3.85	-81.81
O=C([O-])C1=CC2=NNC(C=C3SC(=S)[N-]C3=O)=C2C=C1	REAL300000565652	1	25	-2.0	-83.11	265.10	3.53	-79.58
CC(OC1=CC=C(C=C2SC(=S)[N-]C2=O)C=C1)C(=O)[O-]	REAL300000565653	0	29	-2.0	-88.22	287.56	5.42	-82.80
O=C([O-])C1=CC=C(C2=CC=C(C=C3SC(=S)[N-]C3=O)C=C2)C=C1	REAL300000565654	0	32	-2.0	-91.40	312.47	7.95	-83.45
COC1=CC(C=C2SC(=S)[N-]C2=O)=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000565655	0	33	-2.0	-94.56	335.16	6.02	-88.54
O=C([O-])C1=CC=C(C2=CC=C(C=C3SC(=S)[N-]C3=O)S2)C=C1	REAL300000565656	0	29	-2.0	-93.43	306.20	7.73	-85.70
CCOC1=CC(C=C(C#N)C(=O)[O-])=CC(Br)=C1[O-]	REAL300000565709	1	26	-2.0	-94.18	265.03	6.07	-88.11
N#CC(=CC1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300000565744	0	19	-2.0	-86.23	234.35	5.68	-80.55
N#CC(=CC1=CC(Br)=CC=C1OCC(=O)[O-])C(=O)[O-]	REAL300000565841	0	25	-2.0	-101.74	266.77	7.90	-93.84
N#CC(=CC1=CC=CC(OCC2=CC=CC=C2C(=O)[O-])=C1)C(=O)[O-]	REAL300000565871	0	35	-2.0	-98.74	318.66	10.23	-88.51
CC1=C(C(=O)[O-])OC(COC2=CC=C(C=C(C#N)C(=O)[O-])C=C2)=C1	REAL300000565873	0	35	-2.0	-101.39	326.44	9.32	-92.07
N#CC(=CC1=CC=CC(OCC2=CC=CC(C(=O)[O-])=C2)=C1)C(=O)[O-]	REAL300000565874	0	35	-2.0	-107.63	326.83	10.25	-97.38
COC1=CC(C=C(C#N)C(=O)[O-])=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300000565875	0	31	-2.0	-89.42	299.24	7.54	-81.88
N#CC(=CC1=CC=C(OCC(=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300000565885	0	25	-2.0	-94.13	266.82	7.92	-86.21
N#CC(=CC1=CC=C(OCCN2C=C(C(=O)[O-])N=N2)C(Cl)=C1)C(=O)[O-]	REAL300000565891	0	34	-2.0	-97.10	341.16	7.39	-89.71
COC1=CC(C=C(C#N)C(=O)[O-])=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000565980	0	32	-2.0	-99.46	311.15	8.45	-91.01
N#CC(=CC1=CC=C(C(=O)[O-])C=C1)C(=O)[N-]C1=NC(C2=CC=NC=C2)=CS1	REAL300000566190	1	37	-2.0	-93.10	356.12	7.49	-85.61
N#CC(=CC1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[N-]C1=NC(C2=CC=NC=C2)=CS1	REAL300000566191	1	37	-2.0	-96.17	359.47	7.50	-88.67
N#CC(=CC1=CC=C(C=CC(=O)[O-])O1)C(=O)[N-]C1=NC(C2=CC=NC=C2)=CS1	REAL300000566192	1	38	-2.0	-107.45	372.85	7.44	-100.01
NC(=O)C1=CC(C2=CSC(C3=CC=CC(C(=O)[O-])=C3)=N2)=CC=C1[O-]	REAL300000569693	1	34	-2.0	-100.84	319.37	5.94	-94.90
O=C([O-])C1=CC=CC(C2=NC(C3([N-]C(=O)C(F)(F)F)CCCC3)=CS2)=C1	REAL300000569903	0	39	-2.0	-90.68	358.00	6.56	-84.12
O=C([O-])C1=CC=CC(C2=NC(C3([N-]C(=O)C(F)(F)F)CCCCC3)=CS2)=C1	REAL300000569911	0	42	-2.0	-90.73	373.64	7.57	-83.16
COC1=C2C([O-])=COC2=C(C2=CSC(C3=CC=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300000569920	0	37	-2.0	-111.15	343.60	7.10	-104.05
O=C([O-])C1=CC=CC(C2=NC(CC[N-]C(=O)C(F)(F)F)=CS2)=C1	REAL300000569947	1	32	-2.0	-89.62	321.45	4.46	-85.16
O=C([O-])C1=CC=CC(C2=NC(C3([N-]C(=O)C(F)(F)F)CC3)=CS2)=C1	REAL300000569962	0	33	-2.0	-88.56	322.73	5.08	-83.48
O=C([O-])C1=CC=CC=C1N1[N-]C(C2=CC=C([N+](=O)[O-])C=C2)=CC1=O	REAL300000570014	0	33	-2.0	-119.01	306.22	9.52	-109.49
O=C([O-])C1=CC=CC=C1N1[N-]C(C2=CC=C(Cl)C=C2)=CC1=O	REAL300000570026	0	31	-2.0	-125.77	294.76	9.36	-116.41
CC1=C(C2CCS(=O)(=O)C2)C(=O)N(C2=CC=CC=C2C(=O)[O-])[N-]1	REAL300000570027	0	37	-2.0	-125.05	322.27	5.14	-119.91
O=C([O-])C1=CC=CC=C1N1[N-]C(=O)C2=CC(F)=C(F)C=C2C1=O	REAL300000570028	0	29	-2.0	-120.02	274.60	6.45	-113.57
O=C([O-])C1=CC=CC=C1N1[N-]C(CCC2=CC=CC=C2)=CC1=O	REAL300000570030	1	37	-2.0	-129.50	323.55	10.46	-119.04
O=C([O-])C1=CC=CC=C1N1[N-]C(CC2=CC=CC=C2Cl)=CC1=O	REAL300000570032	0	34	-2.0	-124.67	311.82	9.91	-114.76
O=C([O-])C1=CC=CC=C1N1[N-]C(C2=CC=CC(Cl)=C2)=CC1=O	REAL300000570033	0	31	-2.0	-127.76	294.80	9.37	-118.39
O=C([O-])C1=CC=CC=C1N1[N-]C(C2=C(F)C=CC=C2Cl)=CC1=O	REAL300000570034	0	31	-2.0	-135.83	301.77	9.31	-126.52
O=C([O-])C1=CC=CC=C1N1[N-]C2=C(CCN(CC3=CC=CC=C3)C2)C1=O	REAL300000570035	1	43	-2.0	-131.44	355.73	8.95	-122.49
O=C([O-])C1=CC=CC=C1N1[N-]C(C2=CC=C(Cl)C=C2F)=CC1=O	REAL300000570036	0	31	-2.0	-127.38	298.15	9.35	-118.03
CC1=NN(C)C(C)=C1C1=CC(=O)N(C2=CC=CC=C2C(=O)[O-])[N-]1	REAL300000570037	0	37	-2.0	-133.51	323.87	7.74	-125.77
CC1=CC=C(C)C2=C1C(=O)[N-]N(C1=CC=CC=C1C(=O)[O-])C2=O	REAL300000570061	0	35	-2.0	-137.33	293.90	7.71	-129.62
COC1=CC=CC(C2=CC(=O)N(C3=CC=CC=C3C(=O)[O-])[N-]2)=C1	REAL300000570123	0	35	-2.0	-137.16	307.54	8.16	-129.00
COC1=CC=CC=C1C1=CC(=O)N(C2=CC=CC=C2C(=O)[O-])[N-]1	REAL300000570124	0	35	-2.0	-139.76	304.08	8.43	-131.33
CC1=CC(C2=CC(=O)N(C3=CC=CC=C3C(=O)[O-])[N-]2)=CC=C1F	REAL300000570125	0	34	-2.0	-125.94	304.72	9.55	-116.39
CC1=C(C2=CC=CS2)[N-]N(C2=CC=CC=C2C(=O)[O-])C1=O	REAL300000570130	0	31	-2.0	-130.32	285.60	8.39	-121.93
CC1=C(C2=CC=CC(Br)=C2)[N-]N(C2=CC=CC=C2C(=O)[O-])C1=O	REAL300000570131	0	34	-2.0	-127.56	320.48	10.07	-117.49
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CC(C)(C)OC(=O)NCCC1=CC(=O)N(C2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000570492	1	44	-2.0	-107.00	369.46	5.91	-101.09
O=C([O-])C1=CC=CC(N2[N-]C=C3C(=O)C=CC(F)=C3C2=O)=C1	REAL300000570495	0	29	-2.0	-100.56	273.08	6.98	-93.58
O=C([O-])C1=CC=CC(N2[N-]C3=C(CN(C4CC4)C3=O)C2=O)=C1	REAL300000570499	0	33	-2.0	-108.39	291.42	6.30	-102.09
O=C([O-])C1=CC=CC(N2[N-]C=C3C(=O)C(Br)=CC=C3C2=O)=C1	REAL300000570500	0	29	-2.0	-90.46	288.90	7.54	-82.92
O=C([O-])C1=CC=CC(N2[N-]C(C3=CN=CC(Br)=C3)=CC2=O)=C1	REAL300000570506	0	30	-2.0	-100.33	295.15	7.18	-93.15
O=C([O-])C1=CC=CC(N2[N-]C3=C(CC(=O)N(CC4=CC=CC=C4)C3)C2=O)=C1	REAL300000570508	0	42	-2.0	-101.56	358.29	9.21	-92.35
CC1=C(C2=CC=CS2)[N-]N(C2=CC=CC(C(=O)[O-])=C2)C1=O	REAL300000570519	0	31	-2.0	-106.87	286.34	7.89	-98.98
O=C([O-])C1=CC=CC(N2[N-]C3=C(CCCCCCCC3)C2=O)=C1	REAL300000570521	0	43	-2.0	-105.99	324.57	9.46	-96.53
CC(C)(C)OC(=O)N1CCCC2=C(C1)C(=O)N(C1=CC=CC(C(=O)[O-])=C1)[N-]2	REAL300000570522	0	48	-2.0	-109.97	383.87	8.70	-101.27
CC(C)(C)OC(=O)N1CCCC2=C(C1)[N-]N(C1=CC=CC(C(=O)[O-])=C1)C2=O	REAL300000570523	0	48	-2.0	-109.25	383.70	8.74	-100.51
O=C([O-])C1=CC=CC(N2[N-]C3=C(CN(C4=CC=CC=C4)CC3)C2=O)=C1	REAL300000570524	0	40	-2.0	-107.17	325.66	7.64	-99.53
CC(NC(=O)OC(C)(C)C)C1=CC(=O)N(C2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000570529	0	44	-2.0	-99.92	368.49	5.95	-93.97
CC1=CC2=C(S1)C1=C([N-]2)C(=O)N(C2=CC=CC(C(=O)[O-])=C2)N=C1	REAL300000570532	0	32	-2.0	-115.56	302.49	7.16	-108.40
CC1=CC2=C(S1)C1=C[N-]N(C3=CC=CC(C(=O)[O-])=C3)C(=O)C1=N2	REAL300000570532	1	32	-2.0	-114.12	303.04	7.47	-106.65
CC(C)(C)OC(=O)N1CCC2=C(CC1)C(=O)N(C1=CC=CC(C(=O)[O-])=C1)[N-]2	REAL300000570534	0	48	-2.0	-104.01	383.00	8.74	-95.27
CC1=C(C2=CC=C(F)C=C2)[N-]N(C2=CC=CC(C(=O)[O-])=C2)C1=O	REAL300000570535	0	34	-2.0	-102.80	306.36	9.02	-93.78
O=C([O-])C1=CC=CC(N2[N-]C(CCC(F)(F)F)=CC2=O)=C1	REAL300000570536	1	30	-2.0	-98.40	282.57	7.30	-91.10
CC1(C)CC2=C(C(=O)N(C3=CC=CC(C(=O)[O-])=C3)[N-]2)C(=O)N1	REAL300000570537	1	35	-2.0	-110.46	299.95	4.59	-105.87
O=C([O-])C1=CC=CC(N2[N-]C3=C(C2=O)C(=O)N(CCC2=CC=C(F)C=C2)CC3)=C1	REAL300000570539	0	45	-2.0	-113.06	390.25	10.15	-102.91
O=C([O-])C1=CC=CC(N2[N-]C(C3=CN=CC(F)=C3)=CC2=O)=C1	REAL300000570541	0	30	-2.0	-100.76	280.24	6.64	-94.12
CC(C)(C)OC(=O)N1CC2=C1C(=O)N(C1=CC=CC(C(=O)[O-])=C1)[N-]2	REAL300000570542	0	39	-2.0	-111.51	333.97	6.99	-104.52
O=C([O-])C1=CC=CC(N2[N-]C(C3=CC=C(Br)C=N3)=CC2=O)=C1	REAL300000570545	0	30	-2.0	-102.61	297.03	7.25	-95.36
O=C([O-])C1=CC=CC(N2[N-]C(COCC3=CC=CC=C3)=CC2=O)=C1	REAL300000570547	0	38	-2.0	-107.32	336.84	8.44	-98.88
O=C([O-])C1=CC=C(N2[N-]C(C3=CC=C([N+](=O)[O-])C=C3)=CC2=O)C=N1	REAL300000570562	0	32	-2.0	-93.84	302.70	7.25	-86.59
O=C([O-])C1=CC=C(N2[N-]C(C3=CC=C(Cl)C=C3)=CC2=O)C=N1	REAL300000570574	0	30	-2.0	-97.01	291.25	7.10	-89.91
CC1=C(C2CCS(=O)(=O)C2)C(=O)N(C2=CC=C(C(=O)[O-])N=C2)[N-]1	REAL300000570575	0	36	-2.0	-105.46	317.66	2.79	-102.67
O=C([O-])C1=CC=C(N2[N-]C(=O)C3=CC(F)=C(F)C=C3C2=O)C=N1	REAL300000570576	0	28	-2.0	-88.89	276.05	3.76	-85.13
O=C([O-])C1=CC=C(N2[N-]C(CCC3=CC=CC=C3)=CC2=O)C=N1	REAL300000570578	0	36	-2.0	-98.72	320.06	8.16	-90.56
O=C([O-])C1=CC=C(N2[N-]C(CC3=CC=CC=C3Cl)=CC2=O)C=N1	REAL300000570580	0	33	-2.0	-99.94	308.28	7.62	-92.32
O=C([O-])C1=CC=C(N2[N-]C(C3=CC=CC(Cl)=C3)=CC2=O)C=N1	REAL300000570581	0	30	-2.0	-98.88	291.26	7.09	-91.79
O=C([O-])C1=CC=C(N2[N-]C(C3=C(F)C=CC=C3Cl)=CC2=O)C=N1	REAL300000570582	0	30	-2.0	-105.89	298.66	7.04	-98.85
O=C([O-])C1=CC=C(N2[N-]C3=C(CCN(CC4=CC=CC=C4)C3)C2=O)C=N1	REAL300000570583	1	42	-2.0	-101.40	352.24	6.67	-94.73
O=C([O-])C1=CC=C(N2[N-]C(C3=CC=C(Cl)C=C3F)=CC2=O)C=N1	REAL300000570584	0	30	-2.0	-99.29	294.60	7.08	-92.21
CCN1C=C(C2=CC(=O)N(C3=CC=C(C(=O)[O-])N=C3)[N-]2)C=N1	REAL300000570585	0	33	-2.0	-101.36	301.28	5.33	-96.03
CC1=NN(C)C(C)=C1C1=CC(=O)N(C2=CC=C(C(=O)[O-])N=C2)[N-]1	REAL300000570586	0	36	-2.0	-102.45	320.27	5.47	-96.98
CC1=CC=C(C)C2=C1C(=O)[N-]N(C1=CC=C(C(=O)[O-])N=C1)C2=O	REAL300000570610	0	34	-2.0	-101.54	295.51	5.04	-96.50
COC1=CC=CC(C2=CC(=O)N(C3=CC=C(C(=O)[O-])N=C3)[N-]2)=C1	REAL300000570671	0	34	-2.0	-103.57	304.00	5.88	-97.69
COC1=CC=CC=C1C1=CC(=O)N(C2=CC=C(C(=O)[O-])N=C2)[N-]1	REAL300000570672	0	34	-2.0	-107.24	300.54	6.17	-101.07
CC1=CC(C2=CC(=O)N(C3=CC=C(C(=O)[O-])N=C3)[N-]2)=CC=C1F	REAL300000570673	0	33	-2.0	-97.04	301.21	7.28	-89.76
CC1=C(C2=CC=CS2)[N-]N(C2=CC=C(C(=O)[O-])N=C2)C1=O	REAL300000570678	0	30	-2.0	-100.41	282.05	6.12	-94.29
CC1=C(C2=CC=CC(Br)=C2)[N-]N(C2=CC=C(C(=O)[O-])N=C2)C1=O	REAL300000570679	0	33	-2.0	-99.05	316.97	7.79	-91.26
COC1=CC=C(C2=C(C)C(=O)N(C3=CC=C(C(=O)[O-])N=C3)[N-]2)C=C1	REAL300000570680	0	37	-2.0	-101.13	323.82	6.45	-94.68
COC1=CC=CC(C2=C(C)C(=O)N(C3=CC=C(C(=O)[O-])N=C3)[N-]2)=C1	REAL300000570681	0	37	-2.0	-103.05	325.15	6.48	-96.57
O=C([O-])C1=CC=C(N2[N-]C3=C(CCC4=CC=CC=C34)C2=O)C=N1	REAL300000570683	0	34	-2.0	-104.93	297.19	7.57	-97.36
O=C([O-])C1=CC=C(N2[N-]C3=C(CN(CC4=CC=CC=C4)C3=O)C2=O)C=N1	REAL300000570689	0	38	-2.0	-98.61	342.03	6.91	-91.70
CC(C)C1=C(CC2=CC=CC=C2)[N-]N(C2=CC=C(C(=O)[O-])N=C2)C1=O	REAL300000570694	0	42	-2.0	-100.20	354.86	9.24	-90.96
CC1=CC=CC(CC2=CC(=O)N(C3=CC=C(C(=O)[O-])N=C3)[N-]2)=C1	REAL300000570695	0	36	-2.0	-99.29	319.97	8.03	-91.26
CCC1=C(C2=CC=CC(OC)=C2)[N-]N(C2=CC=C(C(=O)[O-])N=C2)C1=O	REAL300000570696	0	40	-2.0	-103.60	344.76	7.17	-96.43
CC(C)C1=C(C2=CC=CC=C2)[N-]N(C2=CC=C(C(=O)[O-])N=C2)C1=O	REAL300000570697	0	39	-2.0	-102.23	332.81	8.44	-93.79
CCC1=C(C2=CC=CC(C)=C2)[N-]N(C2=CC=C(C(=O)[O-])N=C2)C1=O	REAL300000570698	0	39	-2.0	-103.18	336.65	8.53	-94.65
CCC1=C(C2=CC=C(F)C=C2Cl)[N-]N(C2=CC=C(C(=O)[O-])N=C2)C1=O	REAL300000570699	0	36	-2.0	-98.64	337.87	8.42	-90.22
N#CC1=CC=CC(C2=CC(=O)N(C3=CC=C(C(=O)[O-])N=C3)[N-]2)=C1	REAL300000570701	0	31	-2.0	-100.94	295.35	6.96	-93.98
COC1=CC=C2CC3=C([N-]N(C4=CC=C(C(=O)[O-])N=C4)C3=O)C2=C1	REAL300000570705	0	35	-2.0	-105.48	308.94	6.40	-99.08
CCC1=C(C2=CC=CC=C2)[N-]N(C2=CC=C(C(=O)[O-])N=C2)C1=O	REAL300000570707	0	36	-2.0	-102.69	315.22	7.85	-94.84
CC(C)C1=C(C2=CC=CC=C2)[N-]N(C2=CC=C(C(=O)[O-])N=C2)C1=O	REAL300000570708	0	39	-2.0	-102.23	332.81	8.44	-93.79
CCC1=C(C2=CC=CC(C(F)(F)F)=C2)[N-]N(C2=CC=C(C(=O)[O-])N=C2)C1=O	REAL300000570714	0	39	-2.0	-101.10	354.29	8.87	-92.23
O=C([O-])C1=CC=C(N2[N-]C3=C(CCCC4=CC=CC=C34)C2=O)C=N1	REAL300000570716	0	37	-2.0	-104.72	313.55	8.01	-96.71
CC(C)C1CCC2=C(C1)C(=O)N(C1=CC=C(C(=O)[O-])N=C1)[N-]2	REAL300000570718	0	39	-2.0	-101.84	314.79	7.21	-94.63
COC1=CC=C(C2=CC(=O)N(C3=CC=C(C(=O)[O-])N=C3)[N-]2)C=C1	REAL300000570728	0	34	-2.0	-100.80	303.93	5.90	-94.90
CCOC(=O)CCC1=C(C)[N-]N(C2=CC=C(C(=O)[O-])N=C2)C1=O	REAL300000570730	0	38	-2.0	-99.76	336.02	6.73	-93.03
O=C([O-])C1=CC=C(N2[N-]C(=O)C3=CC(F)=C(F)C=C3C2=O)C=N1	REAL300000570732	0	28	-2.0	-88.89	276.05	3.76	-85.13
CCOC1=CC=CC=C1C1=CC(=O)N(C2=CC=C(C(=O)[O-])N=C2)[N-]1	REAL300000570736	0	37	-2.0	-107.84	322.39	7.10	-100.74
O=C([O-])C1=CC=C(N2[N-]C(C3=CC=C(OCC4=CC=CC=C4)C=C3)=CC2=O)C=N1	REAL300000570738	0	44	-2.0	-101.64	385.70	9.88	-91.76
CCOC1=CC=C(C2=CC(=O)N(C3=CC=C(C(=O)[O-])N=C3)[N-]2)C=C1	REAL300000570740	0	37	-2.0	-100.58	325.79	6.82	-93.76
O=C([O-])C1=CC=C(N2[N-]C3=C(CC4(CC3)OCCO4)C2=O)C=N1	REAL300000570747	0	36	-2.0	-104.67	305.46	4.28	-100.39
CC(C)(C)OC(=O)N1CCC2=C(C1)[N-]N(C1=CC=C(C(=O)[O-])N=C1)C2=O	REAL300000570748	0	44	-2.0	-99.70	361.83	6.18	-93.52
O=C([O-])C1=CC=C(N2[N-]C(C3=CC=C(Br)S3)=CC2=O)C=N1	REAL300000570754	0	27	-2.0	-95.93	288.25	6.44	-89.49
CC(C)(C)OC(=O)N1CCC(C2=CC(=O)N(C3=CC=C(C(=O)[O-])N=C3)[N-]2)CC1	REAL300000570756	0	50	-2.0	-101.98	403.82	7.51	-94.47
O=C([O-])C1=CC=C(N2[N-]C=C3C(=O)C=CC(F)=C3C2=O)C=N1	REAL300000570758	0	28	-2.0	-86.36	268.77	5.21	-81.15
CC(C)C1=C(C2=CC=CC(Cl)=C2)[N-]N(C2=CC=C(C(=O)[O-])N=C2)C1=O	REAL300000570760	0	39	-2.0	-100.55	349.56	8.96	-91.59
O=C([O-])C1=CC=C(N2[N-]C(C3=CC=CC=C3)=C(C(F)(F)F)C2=O)C=N1	REAL300000570764	0	33	-2.0	-97.28	309.55	7.41	-89.87
CC(C)(C)OC(=O)NCCC1=CC(=O)N(C2=CC=C(C(=O)[O-])N=C2)[N-]1	REAL300000570767	0	43	-2.0	-102.02	365.17	4.14	-97.88
O=C([O-])C1=CC=C(N2[N-]C=C3C(=O)C=CC(F)=C3C2=O)C=N1	REAL300000570770	0	28	-2.0	-86.36	268.77	5.21	-81.15
O=C([O-])C1=CC=C(N2[N-]C3=C(CN(C4CC4)C3=O)C2=O)C=N1	REAL300000570774	0	32	-2.0	-98.21	287.15	4.53	-93.68
O=C([O-])C1=CC=C(N2[N-]C=C3C(=O)C(Br)=CC=C3C2=O)C=N1	REAL300000570775	0	28	-2.0	-83.10	284.56	5.78	-77.32
O=C([O-])C1=CC=C(N2[N-]C(C3=CN=CC(Br)=C3)=CC2=O)C=N1	REAL300000570781	0	29	-2.0	-95.13	290.87	5.40	-89.73
O=C([O-])C1=CC=C(N2[N-]C3=C(CC(=O)N(CC4=CC=CC=C4)C3)C2=O)C=N1	REAL300000570783	0	41	-2.0	-99.68	353.99	7.43	-92.25
CC1=C(C2=CC=CS2)[N-]N(C2=CC=C(C(=O)[O-])N=C2)C1=O	REAL300000570794	0	30	-2.0	-100.41	282.05	6.12	-94.29
O=C([O-])C1=CC=C(N2[N-]C3=C(CCCCCCCC3)C2=O)C=N1	REAL300000570796	0	42	-2.0	-100.68	319.38	7.62	-93.06
CC(C)(C)OC(=O)N1CCCC2=C(C1)C(=O)N(C1=CC=C(C(=O)[O-])N=C1)[N-]2	REAL300000570797	0	47	-2.0	-105.13	379.51	6.93	-98.20
CC(C)(C)OC(=O)N1CCCC2=C(C1)[N-]N(C1=CC=C(C(=O)[O-])N=C1)C2=O	REAL300000570798	0	47	-2.0	-104.07	379.46	6.97	-97.10
O=C([O-])C1=CC=C(N2[N-]C3=C(CN(C4=CC=CC=C4)CC3)C2=O)C=N1	REAL300000570799	0	39	-2.0	-102.39	327.38	6.42	-95.97
CC(NC(=O)OC(C)(C)C)C1=CC(=O)N(C2=CC=C(C(=O)[O-])N=C2)[N-]1	REAL300000570805	0	43	-2.0	-96.37	364.20	4.17	-92.20
CC1=CC2=C(S1)C1=C([N-]2)C(=O)N(C2=CC=C(C(=O)[O-])N=C2)N=C1	REAL300000570808	0	31	-2.0	-97.08	298.19	5.39	-91.69
CC1=CC2=C(S1)C1=C[N-]N(C3=CC=C(C(=O)[O-])N=C3)C(=O)C1=N2	REAL300000570808	1	31	-2.0	-96.19	298.71	5.69	-90.50
O=C([O-])C1=CC=C(N2[N-]C3=C(CC4(CCC4)CC3)C2=O)C=N1	REAL300000570810	0	37	-2.0	-102.58	302.09	7.08	-95.50
CC(C)(C)OC(=O)N1CCC2=C(CC1)C(=O)N(C1=CC=C(C(=O)[O-])N=C1)[N-]2	REAL300000570811	0	47	-2.0	-100.04	378.67	6.95	-93.09
CC1=C(C2=CC=C(F)C=C2)[N-]N(C2=CC=C(C(=O)[O-])N=C2)C1=O	REAL300000570812	0	33	-2.0	-97.31	302.08	7.25	-90.06
O=C([O-])C1=CC=C(N2[N-]C(CCC(F)(F)F)=CC2=O)C=N1	REAL300000570813	0	29	-2.0	-94.30	278.29	5.52	-88.78
CC1(C)CC2=C(C(=O)N(C3=CC=C(C(=O)[O-])N=C3)[N-]2)C(=O)N1	REAL300000570814	1	34	-2.0	-109.32	295.66	2.82	-106.50
O=C([O-])C1=CC=C(N2[N-]C3=C(C2=O)C(=O)N(CCC2=CC=C(F)C=C2)CC3)C=N1	REAL300000570816	0	44	-2.0	-112.46	385.97	8.38	-104.08
O=C([O-])C1=CC=C(N2[N-]C(C3=CN=CC(F)=C3)=CC2=O)C=N1	REAL300000570818	0	29	-2.0	-95.11	275.96	4.85	-90.26
CC(C)(C)OC(=O)N1CC2=C1C(=O)N(C1=CC=C(C(=O)[O-])N=C1)[N-]2	REAL300000570819	0	38	-2.0	-109.85	330.03	5.15	-104.70
O=C([O-])C1=CC=C(N2[N-]C(C3=CC=C(Br)C=N3)=CC2=O)C=N1	REAL300000570822	0	29	-2.0	-98.66	292.74	5.48	-93.18
O=C([O-])C1=CC=C(N2[N-]C(COCC3=CC=CC=C3)=CC2=O)C=N1	REAL300000570824	0	37	-2.0	-100.82	332.56	6.66	-94.16
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=C([N+](=O)[O-])C=C2)=CC1=O	REAL300000570837	0	37	-2.0	-95.78	341.21	8.44	-87.34
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COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C)=C(C2CCS(=O)(=O)C2)C1=O	REAL300000570853	0	41	-2.0	-103.92	356.01	4.01	-99.91
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COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CCN(CC3=CC=CC=C3)C2)C1=O	REAL300000570868	1	47	-2.0	-105.60	385.05	7.35	-98.25
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CCCCC2)C1=O	REAL300000570869	0	38	-2.0	-104.16	314.56	7.21	-96.95
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COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CSCC2)C1=O	REAL300000570871	0	33	-2.0	-99.36	297.82	6.36	-93.00
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COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CN=CC=N2)=C(C)C1=O	REAL300000570874	0	36	-2.0	-104.79	321.90	5.31	-99.48
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=CN2)=CC1=O	REAL300000570875	0	33	-2.0	-104.25	300.46	5.63	-98.62
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=NC=C2)=CC1=O	REAL300000570876	0	34	-2.0	-100.06	308.28	6.02	-94.04
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=C(Cl)C=C2F)=CC1=O	REAL300000570877	0	35	-2.0	-101.89	333.13	8.26	-93.63
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CN(C)N=C2)=CC1=O	REAL300000570878	0	35	-2.0	-103.68	318.29	5.64	-98.04
CCN1C=C(C2=CC(=O)N(C3=CC=C(C(=O)[O-])C=C3OC)[N-]2)C=N1	REAL300000570879	0	38	-2.0	-103.77	339.79	6.53	-97.24
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=CN2C)=CC1=O	REAL300000570880	0	36	-2.0	-103.93	318.68	7.46	-96.47
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COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=NC=CN2C)=CC1=O	REAL300000570882	0	35	-2.0	-105.33	313.61	6.39	-98.94
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COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=CS2)=CC1=O	REAL300000570987	0	32	-2.0	-102.95	305.18	6.90	-96.05
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COC1=CC=CC=C1C1=CC(=O)N(C2=CC=C(C(=O)[O-])C=C2OC)[N-]1	REAL300000570990	0	39	-2.0	-110.74	339.07	7.34	-103.40
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COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(=O)C2=NC=CN=C2C1=O	REAL300000570992	0	31	-2.0	-105.01	287.80	1.28	-103.73
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=C(C)O2)=CC1=O	REAL300000571000	0	35	-2.0	-104.62	318.31	6.75	-97.87
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=CS2)=C(C)C1=O	REAL300000571001	0	35	-2.0	-103.19	320.58	7.31	-95.88
COC1=CC=C(C2=C(C)C(=O)N(C3=CC=C(C(=O)[O-])C=C3OC)[N-]2)C=C1	REAL300000571003	0	42	-2.0	-104.25	362.30	7.64	-96.61
COC1=CC=CC(C2=C(C)C(=O)N(C3=CC=C(C(=O)[O-])C=C3OC)[N-]2)=C1	REAL300000571004	0	42	-2.0	-106.15	363.74	7.68	-98.47
COC(=O)CC1=C[N-]N(C2=CC=C(C(=O)[O-])C=C2OC)C1=O	REAL300000571006	1	34	-2.0	-104.00	311.14	5.67	-98.33
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CCC3=CC=CC=C23)C1=O	REAL300000571007	0	39	-2.0	-108.15	335.69	8.78	-99.37
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CN(CC3=CC=CC=C3)C2=O)C1=O	REAL300000571013	0	43	-2.0	-102.16	380.54	8.10	-94.06
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COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=CC=C2)=C(C)C1=O	REAL300000571015	0	38	-2.0	-105.13	334.19	8.37	-96.76
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(CC2=CC=CC=C2)=C(C(C)C)C1=O	REAL300000571019	0	47	-2.0	-102.52	393.32	10.43	-92.09
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(CC2=CC=CC(C)=C2)=CC1=O	REAL300000571020	0	41	-2.0	-102.36	358.49	9.24	-93.12
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COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=CC=C2)=C(C(C)C)C1=O	REAL300000571022	0	44	-2.0	-105.21	371.35	9.63	-95.58
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CCC1=C(C2=CC=C(F)C=C2Cl)[N-]N(C2=CC=C(C(=O)[O-])C=C2OC)C1=O	REAL300000571024	0	41	-2.0	-101.18	376.34	9.61	-91.57
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=CC(C#N)=C2)=CC1=O	REAL300000571026	0	36	-2.0	-103.67	333.88	8.15	-95.52
COC1=CC=C2CC3=C([N-]N(C4=CC=C(C(=O)[O-])C=C4OC)C3=O)C2=C1	REAL300000571030	0	40	-2.0	-109.09	347.45	7.59	-101.50
CCC1=C(C2=CC=CC=C2)[N-]N(C2=CC=C(C(=O)[O-])C=C2OC)C1=O	REAL300000571032	0	41	-2.0	-105.80	353.71	9.04	-96.76
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=CC=C2)=C(C(C)C)C1=O	REAL300000571033	0	44	-2.0	-105.21	371.35	9.63	-95.58
CCC1=C(C(C)C)C(=O)N(C2=CC=C(C(=O)[O-])C=C2OC)[N-]1	REAL300000571034	0	40	-2.0	-101.51	334.62	7.45	-94.06
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C(F)(F)F)=C(F)C1=O	REAL300000571037	0	28	-2.0	-89.73	279.37	5.18	-84.55
CCCC1=C(CC)C(=O)N(C2=CC=C(C(=O)[O-])C=C2OC)[N-]1	REAL300000571038	0	40	-2.0	-102.38	339.93	7.71	-94.67
COCCCC1=CC(=O)N(C2=CC=C(C(=O)[O-])C=C2OC)[N-]1	REAL300000571039	0	38	-2.0	-102.56	332.35	5.41	-97.15
CCCCC1=C(C)C(=O)N(C2=CC=C(C(=O)[O-])C=C2OC)[N-]1	REAL300000571040	0	40	-2.0	-101.53	340.64	7.77	-93.76
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CCCC3=CC=CC=C23)C1=O	REAL300000571044	0	42	-2.0	-108.03	352.05	9.21	-98.82
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CN(C)N=C2)=CC1=O	REAL300000571045	0	35	-2.0	-103.68	318.29	5.64	-98.04
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CC(C(C)C)CC2)C1=O	REAL300000571046	0	44	-2.0	-104.83	353.27	8.39	-96.44
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CN(C)C=N2)=CC1=O	REAL300000571052	0	35	-2.0	-112.30	317.79	7.11	-105.19
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C(F)(F)F)=CC1=O	REAL300000571056	0	28	-2.0	-91.60	274.49	5.17	-86.43
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)[O-])C=C2OC)[N-]1	REAL300000571058	0	34	-2.0	-105.68	311.17	5.53	-100.15
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=COC=C2)=CC1=O	REAL300000571063	0	32	-2.0	-104.10	296.55	5.85	-98.25
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CCCCCC2)C1=O	REAL300000571065	0	41	-2.0	-104.88	326.08	7.60	-97.28
COC1=CC=C(C2=CC(=O)N(C3=CC=C(C(=O)[O-])C=C3OC)[N-]2)C=C1	REAL300000571068	0	39	-2.0	-103.87	342.45	7.07	-96.80
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=NC=C2)=CC1=O	REAL300000571069	0	34	-2.0	-100.06	308.28	6.02	-94.04
COC(=O)CC1=C(C)[N-]N(C2=CC=C(C(=O)[O-])C=C2OC)C1=O	REAL300000571071	0	37	-2.0	-106.33	331.23	6.22	-100.11
CCOC(=O)CCC1=C(C)[N-]N(C2=CC=C(C(=O)[O-])C=C2OC)C1=O	REAL300000571072	0	43	-2.0	-102.03	374.49	7.93	-94.10
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(=O)C2=CC(F)=C(F)C=C2C1=O	REAL300000571074	0	33	-2.0	-91.40	309.40	5.10	-86.30
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(=O)C2=CN=NC=C2C1=O	REAL300000571075	0	31	-2.0	-89.47	286.86	2.13	-87.34
CCOC1=CC=CC=C1C1=CC(=O)N(C2=CC=C(C(=O)[O-])C=C2OC)[N-]1	REAL300000571079	0	42	-2.0	-111.41	360.93	8.28	-103.13
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CC3=CC=CC=C32)C1=O	REAL300000571080	0	36	-2.0	-108.33	317.97	8.29	-100.04
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CC(C)CC2)C1=O	REAL300000571081	0	38	-2.0	-104.27	318.05	7.26	-97.01
CCOC1=CC=C(C2=CC(=O)N(C3=CC=C(C(=O)[O-])C=C3OC)[N-]2)C=C1	REAL300000571083	0	42	-2.0	-103.62	364.31	8.00	-95.62
CCOC(=O)C1=C(C)C(=O)N(C2=CC=C(C(=O)[O-])C=C2OC)[N-]1	REAL300000571085	0	37	-2.0	-96.70	332.27	6.39	-90.31
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CC3(CC2)OCCO3)C1=O	REAL300000571092	0	41	-2.0	-107.53	343.97	5.48	-102.05
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CCC(C)(C)C2)C1=O	REAL300000571094	0	41	-2.0	-104.26	332.93	7.55	-96.71
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CCN(C(=O)OC(C)(C)C)C2)C1=O	REAL300000571096	0	49	-2.0	-102.10	400.36	7.37	-94.73
COCCOCC1=CC(=O)N(C2=CC=C(C(=O)[O-])C=C2OC)[N-]1	REAL300000571105	0	39	-2.0	-105.66	344.73	4.08	-101.58
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=C(Br)S2)=CC1=O	REAL300000571106	0	32	-2.0	-98.56	326.80	7.63	-90.93
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CC(C)(C)C2)C1=O	REAL300000571110	0	38	-2.0	-105.45	319.85	7.24	-98.21
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2CCOCC2)=CC1=O	REAL300000571112	0	39	-2.0	-102.27	330.46	5.64	-96.63
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2CCCC2)=CC1=O	REAL300000571113	0	38	-2.0	-102.72	320.99	7.39	-95.33
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=NN2C)=CC1=O	REAL300000571114	0	35	-2.0	-98.38	314.41	5.58	-92.80
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C=C2C(=O)C=CC(F)=C2C1=O	REAL300000571115	0	33	-2.0	-88.76	302.12	6.46	-82.30
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=CC(Cl)=C2)=C(C(C)C)C1=O	REAL300000571118	0	44	-2.0	-103.28	388.02	10.15	-93.13
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(C2=CC=CC=C2)=C(C(F)(F)F)C1=O	REAL300000571124	0	38	-2.0	-99.80	347.97	8.59	-91.21
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C(CCNC(=O)OC(C)(C)C)=CC1=O	REAL300000571128	0	48	-2.0	-104.25	403.63	5.33	-98.92
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C=C2C(=O)C=CC(F)=C2C1=O	REAL300000571132	0	33	-2.0	-88.76	302.12	6.46	-82.30
COC1=CC(C(=O)[O-])=CC=C1N1[N-]C2=C(CN(C3CC3)C2=O)C1=O	REAL300000571140	0	37	-2.0	-101.81	325.64	5.72	-96.09
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O=C([O-])C1=CC=C(N2[N-]C(C3=CC=C(Br)S3)=CC2=O)C=C1F	REAL300000571457	0	28	-2.0	-93.00	296.80	8.26	-84.74
O=C([O-])C1=CC=C(N2[N-]C(C3CCOCC3)=CC2=O)C=C1F	REAL300000571462	0	35	-2.0	-96.37	300.56	6.29	-90.08
CN1N=CC=C1C1=CC(=O)N(C2=CC=C(C(=O)[O-])C(F)=C2)[N-]1	REAL300000571463	0	31	-2.0	-93.24	284.44	6.22	-87.02
O=C([O-])C1=CC=C(N2[N-]C=C3C(=O)C=CC(F)=C3C2=O)C=C1F	REAL300000571464	0	29	-2.0	-87.06	277.40	7.00	-80.06
CC(C)C1=C(C2=CC=CC(Cl)=C2)[N-]N(C2=CC=C(C(=O)[O-])C(F)=C2)C1=O	REAL300000571467	0	40	-2.0	-98.10	358.08	10.77	-87.33
O=C([O-])C1=CC=C(N2[N-]C(C3=CC=CC=C3)=C(C(F)(F)F)C2=O)C=C1F	REAL300000571472	0	34	-2.0	-94.46	318.02	9.22	-85.24
CC(C)(C)OC(=O)NCCC1=CC(=O)N(C2=CC=C(C(=O)[O-])C(F)=C2)[N-]1	REAL300000571475	1	44	-2.0	-99.15	373.72	5.96	-93.19
O=C([O-])C1=CC=C(N2[N-]C=C3C(=O)C=CC(F)=C3C2=O)C=C1F	REAL300000571479	0	29	-2.0	-87.06	277.40	7.00	-80.06
O=C([O-])C1=CC=C(N2[N-]C3=C(CN(C4CC4)C3=O)C2=O)C=C1F	REAL300000571483	0	33	-2.0	-96.79	295.70	6.35	-90.44
O=C([O-])C1=CC=C(N2[N-]C=C3C(=O)C(Br)=CC=C3C2=O)C=C1F	REAL300000571484	0	29	-2.0	-83.38	293.18	7.58	-75.80
CC1=CC=CN=C1C1=CC(=O)N(C2=CC=C(C(=O)[O-])C(F)=C2)[N-]1	REAL300000571486	0	33	-2.0	-101.69	295.59	7.57	-94.12
O=C([O-])C1=CC=C(N2[N-]C3=C(C2=O)C2(CCC2)OC3)C=C1F	REAL300000571487	0	33	-2.0	-94.81	288.33	6.14	-88.67
O=C([O-])C1=CC=C(N2[N-]C(C(F)(F)Cl)=CC2=O)C=C1F	REAL300000571491	0	24	-2.0	-86.23	254.85	6.25	-79.98
O=C([O-])C1=CC=C(N2[N-]C(C3=CN=CC(Br)=C3)=CC2=O)C=C1F	REAL300000571493	0	30	-2.0	-92.38	299.42	7.22	-85.16
O=C([O-])C1=CC=C(N2[N-]C3=C(CC(=O)N(CC4=CC=CC=C4)C3)C2=O)C=C1F	REAL300000571495	0	42	-2.0	-96.17	362.59	9.25	-86.92
O=C([O-])C1=CC=C(N2[N-]C(C3=CN=CS3)=CC2=O)C=C1F	REAL300000571503	0	27	-2.0	-96.12	270.19	5.70	-90.42
CC1=C(C2CCCC2)C(=O)N(C2=CC=C(C(=O)[O-])C(F)=C2)[N-]1	REAL300000571510	0	37	-2.0	-97.81	306.76	8.64	-89.17
CC1=C(C2=CC=CS2)[N-]N(C2=CC=C(C(=O)[O-])C(F)=C2)C1=O	REAL300000571512	0	31	-2.0	-99.44	290.61	7.93	-91.51
O=C([O-])C1=CC=C(N2[N-]C3=C(CCCCCCCC3)C2=O)C=C1F	REAL300000571513	0	43	-2.0	-97.64	328.55	9.48	-88.16
CC(C)(C)OC(=O)N1CCCC2=C(C1)C(=O)N(C1=CC=C(C(=O)[O-])C(F)=C1)[N-]2	REAL300000571514	0	48	-2.0	-102.05	388.13	8.75	-93.30
CC(C)(C)OC(=O)N1CCCC2=C(C1)[N-]N(C1=CC=C(C(=O)[O-])C(F)=C1)C2=O	REAL300000571515	0	48	-2.0	-101.09	387.97	8.78	-92.31
CC1=C(C(F)(F)F)C(=O)N(C2=CC=C(C(=O)[O-])C(F)=C2)[N-]1	REAL300000571516	0	27	-2.0	-89.73	261.57	6.39	-83.34
O=C([O-])C1=CC=C(N2[N-]C3=C(CN(C4=CC=CC=C4)CC3)C2=O)C=C1F	REAL300000571517	0	40	-2.0	-99.61	330.46	7.66	-91.95
O=C([O-])C1=CC=C(N2[N-]C3=C(C2=O)C2CCC(C2)C3)C=C1F	REAL300000571518	0	35	-2.0	-100.11	289.03	8.18	-91.93
CC1=C(CC(C)(C)O)C(=O)N(C2=CC=C(C(=O)[O-])C(F)=C2)[N-]1	REAL300000571519	0	37	-2.0	-99.19	310.03	4.94	-94.25
O=C([O-])C1=CC=C(N2[N-]C3=C(CC4(CC4)CC3)C2=O)C=C1F	REAL300000571522	0	35	-2.0	-98.82	298.93	8.56	-90.26
CC(NC(=O)OC(C)(C)C)C1=CC(=O)N(C2=CC=C(C(=O)[O-])C(F)=C2)[N-]1	REAL300000571524	0	44	-2.0	-93.30	372.76	5.98	-87.32
CC1=CC2=C(S1)C1=C([N-]2)C(=O)N(C2=CC=C(C(=O)[O-])C(F)=C2)N=C1	REAL300000571528	0	32	-2.0	-98.81	306.83	7.18	-91.63
CC1=CC2=C(S1)C1=C[N-]N(C3=CC=C(C(=O)[O-])C(F)=C3)C(=O)C1=N2	REAL300000571528	1	32	-2.0	-97.71	307.36	7.49	-90.22
O=C([O-])C1=CC=C(N2[N-]C3=C(CC4(CCC4)CC3)C2=O)C=C1F	REAL300000571531	0	38	-2.0	-99.37	310.66	8.90	-90.47
CC(C)(C)OC(=O)N1CCC2=C(CC1)C(=O)N(C1=CC=C(C(=O)[O-])C(F)=C1)[N-]2	REAL300000571532	0	48	-2.0	-96.99	387.26	8.77	-88.22
CC1=C(C2=CC=C(F)C=C2)[N-]N(C2=CC=C(C(=O)[O-])C(F)=C2)C1=O	REAL300000571533	0	34	-2.0	-94.55	310.63	9.06	-85.49
O=C([O-])C1=CC=C(N2[N-]C(CCC(F)(F)F)=CC2=O)C=C1F	REAL300000571534	1	30	-2.0	-91.28	286.84	7.35	-83.93
CC1(C)CC2=C(C(=O)N(C3=CC=C(C(=O)[O-])C(F)=C3)[N-]2)C(=O)N1	REAL300000571535	1	35	-2.0	-108.37	304.22	4.63	-103.74
O=C([O-])C1=CC=C(N2[N-]C(C3=CN=CC(F)=C3)=CC2=O)C=C1F	REAL300000571538	0	30	-2.0	-92.48	284.51	6.68	-85.80
CC(C)(C)OC(=O)N1CC2=C1C(=O)N(C1=CC=C(C(=O)[O-])C(F)=C1)[N-]2	REAL300000571539	0	39	-2.0	-105.91	338.59	6.97	-98.94
O=C([O-])C1=CC=C(N2[N-]C(C3=CC=C(Br)C=N3)=CC2=O)C=C1F	REAL300000571542	0	30	-2.0	-95.53	301.29	7.30	-88.23
O=C([O-])C1=CC=C(N2[N-]C(COCC3=CC=CC=C3)=CC2=O)C=C1F	REAL300000571544	0	38	-2.0	-98.26	341.11	8.50	-89.76
O=C([O-])C1=CC(N2[N-]C(C3=CC=C([N+](=O)[O-])C=C3)=CC2=O)=CC=C1F	REAL300000571558	0	33	-2.0	-95.91	311.53	9.06	-86.85
O=C([O-])C1=CC(N2[N-]C(=O)C3=CC=CC=C3C2=O)=CC=C1F	REAL300000571559	0	29	-2.0	-109.20	272.30	5.48	-103.72
O=C([O-])C1=CC(N2[N-]C(C3=CC=CN=C3)=CC2=O)=CC=C1F	REAL300000571570	0	30	-2.0	-101.25	278.36	6.61	-94.64
O=C([O-])C1=CC(N2[N-]C(C3=CC=C(Cl)C=C3)=CC2=O)=CC=C1F	REAL300000571573	0	31	-2.0	-99.86	300.07	8.91	-90.95
CC1=C(C2CCS(=O)(=O)C2)C(=O)N(C2=CC=C(F)C(C(=O)[O-])=C2)[N-]1	REAL300000571574	0	37	-2.0	-104.23	327.59	4.68	-99.55
CCOC(=O)CC1=CC(=O)N(C2=CC=C(F)C(C(=O)[O-])=C2)[N-]1	REAL300000571575	0	33	-2.0	-105.98	303.40	7.06	-98.92
O=C([O-])C1=CC(N2[N-]C(=O)C3=CC(F)=C(F)C=C3C2=O)=CC=C1F	REAL300000571576	0	29	-2.0	-96.36	284.96	5.60	-90.76
O=C([O-])C1=CC(N2[N-]C(C3CCCCC3)=CC2=O)=CC=C1F	REAL300000571578	0	37	-2.0	-102.49	309.89	8.65	-93.84
O=C([O-])C1=CC(N2[N-]C(C3CC(F)(F)C3)=CC2=O)=CC=C1F	REAL300000571579	0	31	-2.0	-97.23	287.24	7.67	-89.56
O=C([O-])C1=CC(N2[N-]C(CCC3=CC=CC=C3)=CC2=O)=CC=C1F	REAL300000571580	1	37	-2.0	-101.80	328.88	9.97	-91.83
O=C([O-])C1=CC(N2[N-]C(CC3=CC=CC=C3Cl)=CC2=O)=CC=C1F	REAL300000571582	0	34	-2.0	-103.89	320.89	9.63	-94.26
O=C([O-])C1=CC(N2[N-]C(C3=CC=CC=N3)=CC2=O)=CC=C1F	REAL300000571583	0	30	-2.0	-106.70	280.24	6.69	-100.01
O=C([O-])C1=CC(N2[N-]C(C3=CC=CC(Cl)=C3)=CC2=O)=CC=C1F	REAL300000571584	0	31	-2.0	-100.84	300.08	8.90	-91.94
O=C([O-])C1=CC(N2[N-]C(C3=C(F)C=CC=C3Cl)=CC2=O)=CC=C1F	REAL300000571585	0	31	-2.0	-109.07	307.49	8.84	-100.23
O=C([O-])C1=CC(N2[N-]C3=C(CCN(CC4=CC=CC=C4)C3)C2=O)=CC=C1F	REAL300000571586	1	43	-2.0	-105.94	355.41	7.97	-97.97
CC1=C(C2=CN=CC=N2)[N-]N(C2=CC=C(F)C(C(=O)[O-])=C2)C1=O	REAL300000571587	0	32	-2.0	-105.29	292.18	5.93	-99.36
O=C([O-])C1=CC(N2[N-]C(C3=CC=NC=C3)=CC2=O)=CC=C1F	REAL300000571588	0	30	-2.0	-100.21	278.59	6.63	-93.58
O=C([O-])C1=CC(N2[N-]C(C3=CC=C(Cl)C=C3F)=CC2=O)=CC=C1F	REAL300000571589	0	31	-2.0	-100.52	303.43	8.89	-91.63
CN1C=C(C2=CC(=O)N(C3=CC=C(F)C(C(=O)[O-])=C3)[N-]2)C=N1	REAL300000571590	0	31	-2.0	-102.14	288.59	6.26	-95.88
CCN1C=C(C2=CC(=O)N(C3=CC=C(F)C(C(=O)[O-])=C3)[N-]2)C=N1	REAL300000571591	0	34	-2.0	-102.29	310.10	7.13	-95.16
CN1C=CC=C1C1=CC(=O)N(C2=CC=C(F)C(C(=O)[O-])=C2)[N-]1	REAL300000571592	0	32	-2.0	-102.56	288.97	8.07	-94.49
CC1=NN(C)C(C)=C1C1=CC(=O)N(C2=CC=C(F)C(C(=O)[O-])=C2)[N-]1	REAL300000571593	0	37	-2.0	-105.20	329.17	7.28	-97.92
CN1C=CN=C1C1=CC(=O)N(C2=CC=C(F)C(C(=O)[O-])=C2)[N-]1	REAL300000571594	0	31	-2.0	-102.81	283.95	7.03	-95.78
O=C([O-])C1=CC(N2[N-]C(=O)C3=C(CCCC3)C2=O)=CC=C1F	REAL300000571598	0	33	-2.0	-105.75	288.68	5.69	-100.06
CC1=CC=C(C)C2=C1C(=O)[N-]N(C1=CC=C(F)C(C(=O)[O-])=C1)C2=O	REAL300000571624	0	35	-2.0	-109.19	304.28	6.84	-102.35
O=C([O-])C1=CC(N2[N-]C(C3=CC=CS3)=CC2=O)=CC=C1F	REAL300000571691	0	28	-2.0	-103.28	275.44	7.52	-95.76
COC1=CC=CC(C2=CC(=O)N(C3=CC=C(F)C(C(=O)[O-])=C3)[N-]2)=C1	REAL300000571693	0	35	-2.0	-109.08	312.82	7.68	-101.40
COC1=CC=CC=C1C1=CC(=O)N(C2=CC=C(F)C(C(=O)[O-])=C2)[N-]1	REAL300000571694	0	35	-2.0	-110.60	309.36	7.97	-102.63
CC1=CC(C2=CC(=O)N(C3=CC=C(F)C(C(=O)[O-])=C3)[N-]2)=CC=C1F	REAL300000571695	0	34	-2.0	-100.00	310.03	9.09	-90.91
O=C([O-])C1=CC(N2[N-]C(=O)C3=NC=CN=C3C2=O)=CC=C1F	REAL300000571696	0	27	-2.0	-111.40	263.31	1.77	-109.63
CC1=CC=C(C2=CC(=O)N(C3=CC=C(F)C(C(=O)[O-])=C3)[N-]2)O1	REAL300000571704	0	31	-2.0	-104.33	288.59	7.36	-96.97
CC1=C(C2=CC=CS2)[N-]N(C2=CC=C(F)C(C(=O)[O-])=C2)C1=O	REAL300000571705	0	31	-2.0	-104.12	290.88	7.92	-96.20
CC1=C(C2=CC=CC(Br)=C2)[N-]N(C2=CC=C(F)C(C(=O)[O-])=C2)C1=O	REAL300000571706	0	34	-2.0	-104.15	325.77	9.60	-94.55
COC1=CC=C(C2=C(C)C(=O)N(C3=CC=C(F)C(C(=O)[O-])=C3)[N-]2)C=C1	REAL300000571708	0	38	-2.0	-104.87	332.64	8.26	-96.61
COC1=CC=CC(C2=C(C)C(=O)N(C3=CC=C(F)C(C(=O)[O-])=C3)[N-]2)=C1	REAL300000571709	0	38	-2.0	-106.25	334.06	8.28	-97.97
O=C([O-])C1=CC(N2[N-]C3=C(CCC4=CC=CC=C34)C2=O)=CC=C1F	REAL300000571710	0	35	-2.0	-109.00	306.00	9.38	-99.62
O=C([O-])C1=CC(N2[N-]C3=C(CN(CC4=CC=CC=C4)C3=O)C2=O)=CC=C1F	REAL300000571716	0	39	-2.0	-106.45	350.85	8.72	-97.73
CC1=C(C2=CC=CC=C2)[N-]N(C2=CC=C(F)C(C(=O)[O-])=C2)C1=O	REAL300000571718	0	34	-2.0	-105.86	303.22	8.94	-96.92
CC(C)C1=C(CC2=CC=CC=C2)[N-]N(C2=CC=C(F)C(C(=O)[O-])=C2)C1=O	REAL300000571722	0	43	-2.0	-103.60	363.69	11.05	-92.55
CC1=CC=CC(CC2=CC(=O)N(C3=CC=C(F)C(C(=O)[O-])=C3)[N-]2)=C1	REAL300000571723	0	37	-2.0	-102.23	328.80	9.85	-92.38
CCC1=C(C2=CC=CC(OC)=C2)[N-]N(C2=CC=C(F)C(C(=O)[O-])=C2)C1=O	REAL300000571724	0	41	-2.0	-106.76	353.59	8.97	-97.79
CC(C)C1=C(C2=CC=CC=C2)[N-]N(C2=CC=C(F)C(C(=O)[O-])=C2)C1=O	REAL300000571725	0	40	-2.0	-106.28	341.64	10.25	-96.03
CCC1=C(C2=CC=CC(C)=C2)[N-]N(C2=CC=C(F)C(C(=O)[O-])=C2)C1=O	REAL300000571726	0	40	-2.0	-106.82	345.51	10.34	-96.48
CCC1=C(C2=CC=C(F)C=C2Cl)[N-]N(C2=CC=C(F)C(C(=O)[O-])=C2)C1=O	REAL300000571727	0	37	-2.0	-101.83	346.64	10.24	-91.59
N#CC1=CC=CC(C2=CC(=O)N(C3=CC=C(F)C(C(=O)[O-])=C3)[N-]2)=C1	REAL300000571729	0	32	-2.0	-105.74	304.18	8.77	-96.97
COC1=CC=C2CC3=C([N-]N(C4=CC=C(F)C(C(=O)[O-])=C4)C3=O)C2=C1	REAL300000571733	0	36	-2.0	-111.16	317.76	8.20	-102.96
CCC1=C(C2=CC=CC=C2)[N-]N(C2=CC=C(F)C(C(=O)[O-])=C2)C1=O	REAL300000571735	0	37	-2.0	-106.48	324.04	9.66	-96.82
CC(C)C1=C(C2=CC=CC=C2)[N-]N(C2=CC=C(F)C(C(=O)[O-])=C2)C1=O	REAL300000571736	0	40	-2.0	-106.28	341.64	10.25	-96.03
O=C([O-])C1=CC(N2[N-]C(C(F)(F)F)=C(F)C2=O)=CC=C1F	REAL300000571739	0	24	-2.0	-89.98	249.72	5.80	-84.18
CCC1=C(C2=CC=CC(C(F)(F)F)=C2)[N-]N(C2=CC=C(F)C(C(=O)[O-])=C2)C1=O	REAL300000571743	0	40	-2.0	-101.51	363.14	10.67	-90.84
O=C([O-])C1=CC(N2[N-]C3=C(CCCC4=CC=CC=C34)C2=O)=CC=C1F	REAL300000571745	0	38	-2.0	-108.91	322.37	9.83	-99.08
CN1C=C(C2=CC(=O)N(C3=CC=C(F)C(C(=O)[O-])=C3)[N-]2)C=N1	REAL300000571746	0	31	-2.0	-102.14	288.59	6.26	-95.88
CC(C)C1CCC2=C(C1)C(=O)N(C1=CC=C(F)C(C(=O)[O-])=C1)[N-]2	REAL300000571747	0	40	-2.0	-103.96	323.62	9.01	-94.95
CN1C=NC(C2=CC(=O)N(C3=CC=C(F)C(C(=O)[O-])=C3)[N-]2)=C1	REAL300000571752	0	31	-2.0	-110.33	288.08	7.71	-102.62
O=C([O-])C1=CC(N2[N-]C3=C(CCCCCC3)C2=O)=CC=C1F	REAL300000571759	0	37	-2.0	-104.67	296.39	8.21	-96.46
COC1=CC=C(C2=CC(=O)N(C3=CC=C(F)C(C(=O)[O-])=C3)[N-]2)C=C1	REAL300000571762	0	35	-2.0	-104.37	312.76	7.70	-96.67
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COC(=O)CC1=C(C)[N-]N(C2=CC=C(F)C(C(=O)[O-])=C2)C1=O	REAL300000571765	0	33	-2.0	-106.42	301.58	6.84	-99.58
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CCN1C=C(C2=CC(=O)N(C3=CC=CC(C(=O)[O-])=C3C)[N-]2)C=N1	REAL300000571929	0	37	-2.0	-104.79	323.71	7.95	-96.84
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COC(=O)CC1=C(C)[N-]N(C(=O)C2=CC=CC(C(=O)[O-])=C2)C1=O	REAL300000572779	0	35	-2.0	-111.49	317.12	7.79	-103.70
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O=C([O-])C1=CC=CC(C(=O)N2[N-]C3=C(CC4=CC=CC=C43)C2=O)=C1	REAL300000572788	0	34	-2.0	-112.07	303.83	9.87	-102.20
CC1CCC2=C(C1)C(=O)N(C(=O)C1=CC=CC(C(=O)[O-])=C1)[N-]2	REAL300000572789	0	36	-2.0	-108.60	303.93	8.82	-99.78
CCOC1=CC=C(C2=CC(=O)N(C(=O)C3=CC=CC(C(=O)[O-])=C3)[N-]2)C=C1	REAL300000572791	0	40	-2.0	-108.30	350.16	9.60	-98.70
CCOC(=O)C1=C(C)C(=O)N(C(=O)C2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000572793	0	35	-2.0	-100.12	318.15	7.95	-92.17
O=C([O-])C1=CC=CC(C(=O)N2[N-]C3=C(CC4(CC3)OCCO4)C2=O)=C1	REAL300000572800	0	39	-2.0	-112.13	330.17	7.03	-105.10
CC1(C)CCC2=C(C1)[N-]N(C(=O)C1=CC=CC(C(=O)[O-])=C1)C2=O	REAL300000572802	0	39	-2.0	-109.14	318.81	9.11	-100.03
CC(C)(C)OC(=O)N1CCC2=C(C1)[N-]N(C(=O)C1=CC=CC(C(=O)[O-])=C1)C2=O	REAL300000572804	0	47	-2.0	-105.62	386.17	8.93	-96.69
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O=C([O-])C1=CC=CC(C(=O)N2[N-]C(C3=CC=C(Br)S3)=CC2=O)=C1	REAL300000572814	0	30	-2.0	-104.11	312.63	9.23	-94.88
O=C([O-])C1=CC=CC(C(=O)N2[N-]C(C3CCOCC3)=CC2=O)=C1	REAL300000572820	0	37	-2.0	-106.43	316.36	7.22	-99.21
O=C([O-])C1=CC=CC(C(=O)N2[N-]C(C3CCCC3)=CC2=O)=C1	REAL300000572821	0	36	-2.0	-106.81	307.13	9.01	-97.80
CN1N=CC=C1C1=CC(=O)N(C(=O)C2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000572822	0	33	-2.0	-104.34	297.81	7.05	-97.29
O=C([O-])C1=CC=CC(C(=O)N2[N-]C=C3C(=O)C=CC(F)=C3C2=O)=C1	REAL300000572823	0	31	-2.0	-96.04	288.34	8.29	-87.75
CC(C)C1=C(C2=CC=CC(Cl)=C2)[N-]N(C(=O)C2=CC=CC(C(=O)[O-])=C2)C1=O	REAL300000572826	0	42	-2.0	-106.95	373.70	11.68	-95.27
O=C([O-])C1=CC=CC(C(=O)N2[N-]C(C3=CC=CC=C3)=C(C(F)(F)F)C2=O)=C1	REAL300000572832	0	36	-2.0	-103.86	333.49	10.12	-93.74
CC(C)(C)OC(=O)NCCC1=CC(=O)N(C(=O)C2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000572836	0	46	-2.0	-110.02	389.53	6.92	-103.10
O=C([O-])C1=CC=CC(C(=O)N2[N-]C=C3C(=O)C=CC(F)=C3C2=O)=C1	REAL300000572840	0	31	-2.0	-96.04	288.34	8.29	-87.75
O=C([O-])C1=CC=CC(C(=O)N2[N-]C3=C(CN(C4CC4)C3=O)C2=O)=C1	REAL300000572847	0	35	-2.0	-102.96	311.51	7.29	-95.67
O=C([O-])C1=CC=CC(C(=O)N2[N-]C=C3C(=O)C(Br)=CC=C3C2=O)=C1	REAL300000572848	0	31	-2.0	-93.33	304.16	8.90	-84.43
CC1=CC=CN=C1C1=CC(=O)N(C(=O)C2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000572851	0	35	-2.0	-113.03	308.46	8.37	-104.66
O=C([O-])C1=CC=CC(C(=O)N2[N-]C3=C(C2=O)C2(CCC2)OC3)=C1	REAL300000572852	0	35	-2.0	-106.24	304.13	7.07	-99.17
O=C([O-])C1=CC=CC(C(=O)N2[N-]C(C(F)(F)Cl)=CC2=O)=C1	REAL300000572856	0	26	-2.0	-95.61	270.66	7.19	-88.42
O=C([O-])C1=CC=CC(C(=O)N2[N-]C(C3=CN=CC(Br)=C3)=CC2=O)=C1	REAL300000572858	0	32	-2.0	-102.84	315.24	8.17	-94.67
O=C([O-])C1=CC=CC(C(=O)N2[N-]C3=C(CC(=O)N(CC4=CC=CC=C4)C3)C2=O)=C1	REAL300000572860	0	44	-2.0	-109.10	378.36	10.18	-98.92
O=C([O-])C1=CC=CC(C(=O)N2[N-]C(C3=CN=CS3)=CC2=O)=C1	REAL300000572868	0	29	-2.0	-106.33	286.03	6.68	-99.65
CC1=C(C2CCCC2)C(=O)N(C(=O)C2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000572873	0	39	-2.0	-108.81	324.97	9.59	-99.22
CC1=C(C2=CC=CS2)[N-]N(C(=O)C2=CC=CC(C(=O)[O-])=C2)C1=O	REAL300000572875	0	33	-2.0	-108.23	306.44	8.92	-99.31
O=C([O-])C1=CC=CC(C(=O)N2[N-]C3=C(CCCCCCCC3)C2=O)=C1	REAL300000572876	0	45	-2.0	-109.20	344.84	10.38	-98.82
CC1=C(C(F)(F)F)C(=O)N(C(=O)C2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000572878	0	29	-2.0	-98.86	277.80	7.33	-91.53
O=C([O-])C1=CC=CC(C(=O)N2[N-]C3=C(SCCC3)C2=O)=C1	REAL300000572879	0	31	-2.0	-111.26	283.46	7.93	-103.33
O=C([O-])C1=CC=CC(C(=O)N2[N-]C3=C(CN(C4=CC=CC=C4)CC3)C2=O)=C1	REAL300000572880	0	42	-2.0	-110.93	351.73	9.16	-101.77
O=C([O-])C1=CC=CC(C(=O)N2[N-]C3=C(C2=O)C2CCC(C2)C3)=C1	REAL300000572881	0	37	-2.0	-112.55	304.82	9.10	-103.45
CC1=C(CC(C)(C)O)C(=O)N(C(=O)C2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000572882	0	39	-2.0	-109.86	325.99	5.83	-104.03
O=C([O-])C1=CC=CC(C(=O)N2[N-]C(C3CCOC3)=CC2=O)=C1	REAL300000572883	0	34	-2.0	-104.24	298.06	6.48	-97.76
O=C([O-])C1=CC=CC(C(=O)N2[N-]C3=C(CC4(CC4)CC3)C2=O)=C1	REAL300000572886	0	37	-2.0	-111.00	314.72	9.48	-101.52
CC(NC(=O)OC(C)(C)C)C1=CC(=O)N(C(=O)C2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000572888	0	46	-2.0	-102.66	388.57	6.93	-95.73
CC1=CC2=C(S1)C1=C[N-]N(C(=O)C3=CC=CC(C(=O)[O-])=C3)C(=O)C1=N2	REAL300000572892	0	34	-2.0	-101.86	318.31	8.84	-93.02
CC1=CC2=C(S1)C1=C([N-]2)C(=O)N(C(=O)C2=CC=CC(C(=O)[O-])=C2)N=C1	REAL300000572892	1	34	-2.0	-102.09	317.93	8.57	-93.52
C=CCCC1=C(C)C(=O)N(C(=O)C2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000572895	0	36	-2.0	-106.62	317.37	9.08	-97.54
O=C([O-])C1=CC=CC(C(=O)N2[N-]C3=C(CC4(CCC4)CC3)C2=O)=C1	REAL300000572896	0	40	-2.0	-111.64	326.51	9.82	-101.82
CC1=C(C2=CC=C(F)C=C2)[N-]N(C(=O)C2=CC=CC(C(=O)[O-])=C2)C1=O	REAL300000572897	0	36	-2.0	-105.20	326.34	10.02	-95.18
O=C([O-])C1=CC=CC(C(=O)N2[N-]C(CCC(F)(F)F)=CC2=O)=C1	REAL300000572898	0	32	-2.0	-102.79	302.64	8.29	-94.50
CC1(C)CC2=C(C(=O)N(C(=O)C3=CC=CC(C(=O)[O-])=C3)[N-]2)C(=O)N1	REAL300000572899	0	37	-2.0	-111.65	320.00	5.56	-106.09
O=C([O-])C1=CC=CC(C(=O)N2[N-]C(C3=CN=CC(F)=C3)=CC2=O)=C1	REAL300000572902	0	32	-2.0	-102.75	300.33	7.63	-95.12
CC(C)(C)OC(=O)N1CC2=C1C(=O)N(C(=O)C1=CC=CC(C(=O)[O-])=C1)[N-]2	REAL300000572903	0	41	-2.0	-114.83	354.39	7.92	-106.91
O=C([O-])C1=CC=CC(C(=O)N2[N-]C(C3=CC=C(Br)C=N3)=CC2=O)=C1	REAL300000572905	0	32	-2.0	-106.85	317.11	8.25	-98.60
O=C([O-])C1=CC=CC(C(=O)N2[N-]C(COCC3=CC=CC=C3)=CC2=O)=C1	REAL300000572906	0	40	-2.0	-108.25	356.91	9.43	-98.82
O=C([O-])C1=CC=CC(CN2[N-]C(C3=CC=C([N+](=O)[O-])C=C3)=CC2=O)=C1	REAL300000572921	0	36	-2.0	-108.62	335.09	9.39	-99.23
O=C([O-])C1=CC=CC(CN2[N-]C(C3=CC=C(Cl)C=C3)=CC2=O)=C1	REAL300000572934	0	34	-2.0	-112.77	323.63	9.24	-103.53
CC1=C(C2CCS(=O)(=O)C2)C(=O)N(CC2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000572935	0	40	-2.0	-102.80	351.12	5.03	-97.77
CCOC(=O)CC1=CC(=O)N(CC2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000572936	0	36	-2.0	-118.21	326.92	7.42	-110.79
O=C([O-])C1=CC=CC(CN2[N-]C(=O)C3=CC(F)=C(F)C=C3C2=O)=C1	REAL300000572937	1	32	-2.0	-99.23	303.34	5.95	-93.28
O=C([O-])C1=CC=CC(CN2[N-]C(C3CCCCC3)=CC2=O)=C1	REAL300000572939	0	40	-2.0	-115.79	333.41	9.01	-106.78
O=C([O-])C1=CC=CC(CN2[N-]C(C3CC(F)(F)C3)=CC2=O)=C1	REAL300000572940	0	34	-2.0	-110.20	310.75	8.04	-102.16
O=C([O-])C1=CC=CC(CN2[N-]C(CCC3=CC=CC=C3)=CC2=O)=C1	REAL300000572941	0	40	-2.0	-114.86	352.40	10.34	-104.52
O=C([O-])C1=CC=CC(CN2[N-]C(CC3=CC=CC=C3Cl)=CC2=O)=C1	REAL300000572943	0	37	-2.0	-117.21	340.63	9.80	-107.41
O=C([O-])C1=CC=CC(CN2[N-]C(C3=CC=CC(Cl)=C3)=CC2=O)=C1	REAL300000572944	0	34	-2.0	-102.18	323.64	9.23	-92.95
O=C([O-])C1=CC=CC(CN2[N-]C(C3=C(F)C=CC=C3Cl)=CC2=O)=C1	REAL300000572945	0	34	-2.0	-110.42	330.60	9.19	-101.23
O=C([O-])C1=CC=CC(CN2[N-]C3=C(CCN(CC4=CC=CC=C4)C3)C2=O)=C1	REAL300000572946	1	46	-2.0	-118.88	378.94	8.33	-110.55
CC1=C(C2=CN=CC=N2)[N-]N(CC2=CC=CC(C(=O)[O-])=C2)C1=O	REAL300000572947	0	35	-2.0	-117.52	315.74	6.28	-111.24
O=C([O-])C1=CC=CC(CN2[N-]C(C3=CC=C(Cl)C=C3F)=CC2=O)=C1	REAL300000572948	0	34	-2.0	-116.69	326.99	9.21	-107.48
CCN1C=C(C2=CC(=O)N(CC3=CC=CC(C(=O)[O-])=C3)[N-]2)C=N1	REAL300000572949	0	37	-2.0	-118.53	333.67	7.48	-111.05
CC1=NN(C)C(C)=C1C1=CC(=O)N(CC2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000572950	0	40	-2.0	-119.48	353.61	7.65	-111.83
O=C([O-])C1=CC=CC(CN2[N-]C(=O)C3=C(CCCC3)C2=O)=C1	REAL300000572954	0	36	-2.0	-108.26	307.05	6.06	-102.20
O=C([O-])C1=CC=CC(CN2[N-]C(C3=CC=CS3)=CC2=O)=C1	REAL300000573044	0	31	-2.0	-104.16	299.05	7.86	-96.30
COC1=CC=CC(C2=CC(=O)N(CC3=CC=CC(C(=O)[O-])=C3)[N-]2)=C1	REAL300000573046	0	38	-2.0	-109.86	336.39	8.03	-101.83
COC1=CC=CC=C1C1=CC(=O)N(CC2=CC=CC(C(=O)[O-])=C2)[N-]1	REAL300000573047	0	38	-2.0	-123.87	332.92	8.30	-115.57
CC1=CC(C2=CC(=O)N(CC3=CC=CC(C(=O)[O-])=C3)[N-]2)=CC=C1F	REAL300000573048	0	37	-2.0	-112.74	333.60	9.42	-103.32
CC1=C(C2=CC=CS2)[N-]N(CC2=CC=CC(C(=O)[O-])=C2)C1=O	REAL300000573055	0	34	-2.0	-104.35	314.50	8.26	-96.09
CC1=C(C2=CC=CC(Br)=C2)[N-]N(CC2=CC=CC(C(=O)[O-])=C2)C1=O	REAL300000573056	0	37	-2.0	-102.75	348.09	9.92	-92.83
COC1=CC=C(C2=C(C)C(=O)N(CC3=CC=CC(C(=O)[O-])=C3)[N-]2)C=C1	REAL300000573058	0	41	-2.0	-105.02	357.56	8.64	-96.38
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O=C([O-])C1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL300000587675	1	35	-2.0	-124.77	299.67	5.69	-119.08
CC(SC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300000587676	0	35	-2.0	-127.78	322.21	5.10	-122.68
CC(SC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300000587676	1	35	-2.0	-127.71	322.27	5.09	-122.62
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O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300000587680	0	38	-2.0	-134.81	310.40	5.45	-129.36
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CC1=C(C(=O)[N-]NC(=O)CC2(CC(=O)[O-])CCC2)SC(C2=CC=CC=C2)=N1	REAL300000591854	1	46	-2.0	-109.97	392.31	6.80	-103.17
CC1=C(C(=O)[N-]NC(=O)C(C)OC(C)C(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300000591855	1	43	-2.0	-113.71	385.17	5.94	-107.77
CC1=C(C(=O)[N-]NC(=O)CC2(C(=O)[O-])CCOC2)SC(C2=CC=CC=C2)=N1	REAL300000591856	1	44	-2.0	-119.41	379.69	5.09	-114.32
CC1=C(C(=O)[N-]NC(=O)CC2(C(=O)[O-])CCC2)SC(C2=CC=CC=C2)=N1	REAL300000591857	1	43	-2.0	-121.24	377.39	6.26	-114.98
CC1=C(C(=O)[N-]NC(=O)C(C)SC(C)C(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300000591858	1	43	-2.0	-105.45	398.18	6.39	-99.06
CC1=C(C(=O)[N-]NC(=O)C2=C(C(=O)[O-])CCCC2)SC(C2=CC=CC=C2)=N1	REAL300000591859	1	44	-2.0	-132.27	383.59	8.19	-124.08
CC1=C(C(=O)[N-]NC(=O)CC(C)CC(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300000591860	1	42	-2.0	-103.59	369.91	5.79	-97.80
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CC1=C(C(=O)[N-]NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300000591867	1	45	-2.0	-132.38	382.49	7.10	-125.28
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CC1=C(C(=O)[N-]NC(=O)C(CC(=O)[O-])CC(C)C)SC(C2=CC=CC=C2)=N1	REAL300000591869	1	48	-2.0	-123.47	404.39	7.37	-116.10
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CC1=C(C(=O)[N-]NC(=O)C(C)(C)OCC(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300000591871	1	43	-2.0	-110.16	381.16	5.73	-104.43
CC1=C(C(=O)[N-]NC(=O)CCCCCCC(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300000591872	1	48	-2.0	-98.38	421.80	7.68	-90.70
CC1=C(C(=O)[N-]NC(=O)CCCCCC(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300000591873	1	45	-2.0	-101.72	400.30	6.90	-94.82
CC1=C(C(=O)[N-]NC(=O)CC2(CC(=O)[O-])CC2)SC(C2=CC=CC=C2)=N1	REAL300000591874	1	43	-2.0	-112.00	382.05	6.47	-105.53
CC1=C(C(=O)[N-]NC(=O)CC2(C(=O)[O-])CC2)SC(C2=CC=CC=C2)=N1	REAL300000591875	1	40	-2.0	-126.08	360.21	6.72	-119.36
CC1=C(C(=O)[N-]NC(=O)C2=C(C(=O)[O-])CCCCC2)SC(C2=CC=CC=C2)=N1	REAL300000591876	1	47	-2.0	-133.09	399.50	8.58	-124.51
CC1=C(C(=O)[N-]NC(=O)C2CCC(C(=O)[O-])S2)SC(C2=CC=CC=C2)=N1	REAL300000591877	1	41	-2.0	-106.25	379.78	6.14	-100.11
CC1=C(C(=O)[N-]NC(=O)C2=C(C(=O)[O-])CCC2)SC(C2=CC=CC=C2)=N1	REAL300000591878	1	41	-2.0	-127.19	371.25	6.38	-120.81
CC1=C(C(=O)[N-]NC(=O)C23CC2(C(=O)[O-])CCC3)SC(C2=CC=CC=C2)=N1	REAL300000591879	1	44	-2.0	-126.37	382.83	7.69	-118.68
CC1=C(C(=O)[N-]NC(=O)CCCCC(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300000591880	1	42	-2.0	-99.34	378.80	6.12	-93.22
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300000596723	0	44	-2.0	-126.92	375.38	6.84	-120.08
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2(C(=O)[O-])CCCCCC2)C=C1	REAL300000596724	0	47	-2.0	-133.78	364.25	6.41	-127.37
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2(C(=O)[O-])CCCC2)C=C1	REAL300000596725	0	41	-2.0	-127.66	348.92	5.47	-122.19
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC(C)(C)CC(=O)[O-])C=C1	REAL300000596726	0	40	-2.0	-103.35	336.85	4.04	-99.31
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300000596727	0	41	-2.0	-127.58	367.10	6.21	-121.37
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2(C(=O)[O-])CCCCC2)C=C1	REAL300000596728	0	44	-2.0	-127.37	359.16	5.82	-121.55
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC=CCC2C(=O)[O-])C=C1	REAL300000596729	0	39	-2.0	-129.41	343.26	4.75	-124.66
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2(CC(=O)[O-])CCCCC2)C=C1	REAL300000596730	0	47	-2.0	-118.17	371.65	5.63	-112.54
CC1=CC=C(S(=O)(=O)[N-]NC(=O)CC2(CC(=O)[O-])CCCC2)C=C1	REAL300000596731	0	44	-2.0	-114.69	362.17	5.21	-109.48
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CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CC(C(=O)[O-])C2)C=C1	REAL300000596750	0	35	-2.0	-111.39	319.80	3.60	-107.79
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CC1=CC=C(S(=O)(=O)[N-]NC(=O)C2CCCC2C(=O)[O-])C=C1	REAL300000596753	0	38	-2.0	-137.31	331.61	4.43	-132.88
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CC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)(CC(=O)[O-])CC(C)C)C=C1	REAL300000596755	0	46	-2.0	-128.96	373.59	5.72	-123.24
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CCC(C)(CC(=O)[O-])C(=O)N[N-]S(=O)(=O)C1=CC=C(C)C=C1	REAL300000596757	0	40	-2.0	-103.56	338.03	3.79	-99.77
CC1=CC=C(S(=O)(=O)[N-]NC(=O)C(C)(C)SCC(=O)[O-])C=C1	REAL300000596759	0	38	-2.0	-105.99	348.15	4.05	-101.94
CC1=CC=C(S(=O)(=O)[N-]NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])C=C1	REAL300000596760	0	40	-2.0	-137.68	339.92	5.01	-132.67
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O=C([O-])C1CCC(C(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)O1	REAL300000597633	0	39	-2.0	-117.27	331.69	2.93	-114.34
O=C([O-])C1C2C=CC(CC2)C1C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597634	0	46	-2.0	-147.79	352.96	5.63	-142.16
O=C([O-])CC1(CC(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)CCC1	REAL300000597635	0	44	-2.0	-120.11	351.81	4.07	-116.04
CC(OC(C)C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2)C(=O)[O-]	REAL300000597636	0	41	-2.0	-117.28	349.41	3.31	-113.97
O=C(CC1(C(=O)[O-])CCOC1)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597637	0	42	-2.0	-130.33	339.19	2.36	-127.97
O=C(CC1(C(=O)[O-])CCC1)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597638	0	41	-2.0	-131.90	336.90	3.53	-128.37
CC(SC(C)C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2)C(=O)[O-]	REAL300000597639	0	41	-2.0	-112.36	355.08	3.56	-108.80
O=C([O-])C1=C(C(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)CCCC1	REAL300000597640	0	42	-2.0	-143.52	343.09	5.46	-138.06
O=C([O-])C1(CC(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)CCCC2=CC=CC=C21	REAL300000597641	0	51	-2.0	-141.38	399.14	6.87	-134.51
O=C([O-])C1=CC(F)=C(F)C=C1C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597642	0	38	-2.0	-125.96	341.18	4.87	-121.09
CC(CC(=O)[O-])CC(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597643	0	40	-2.0	-113.28	329.41	3.05	-110.23
O=C([O-])[C@H]1CCCC[C@H]1C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597644	0	44	-2.0	-134.70	345.67	3.97	-130.73
O=C([O-])C1CC(C(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)C1	REAL300000597645	0	38	-2.0	-117.82	322.09	3.00	-114.82
CC1=CC=C(C)C(C(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)=C1C(=O)[O-]	REAL300000597646	0	44	-2.0	-148.20	365.95	5.20	-143.00
CC1(C)C(C(=O)[O-])C1C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597647	0	41	-2.0	-116.35	340.74	3.72	-112.63
O=C([O-])C1CCCC1C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597648	0	41	-2.0	-144.88	333.90	3.85	-141.03
CC(CC(=O)[O-])(C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2)C1=CSC=C1	REAL300000597649	0	44	-2.0	-130.85	368.72	4.95	-125.90
CC(C)CC(C)(CC(=O)[O-])C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597650	0	49	-2.0	-142.92	369.05	4.88	-138.04
CCC(CC(=O)[O-])(C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2)C1=CC=C(C)C=C1	REAL300000597651	0	53	-2.0	-137.36	411.87	7.10	-130.26
CC(CC(=O)[O-])(C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2)C1=CC=C(F)C=C1	REAL300000597652	0	47	-2.0	-127.75	383.38	5.97	-121.78
CCC(C)(CC(=O)[O-])C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597653	0	43	-2.0	-110.10	340.33	3.19	-106.91
CC(C)(SCC(=O)[O-])C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597655	0	41	-2.0	-112.23	350.45	3.45	-108.78
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597656	0	43	-2.0	-144.59	342.02	4.36	-140.23
O=C([O-])C1(CC(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)CCC2=CC=CC=C21	REAL300000597657	0	48	-2.0	-138.45	391.10	6.24	-132.21
O=C([O-])[C@]1(C2=CC=CC=C2)C[C@@H]1C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597658	0	45	-2.0	-145.53	379.32	5.73	-139.80
O=C([O-])[C@H]1CCC[C@@H](C(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)C1	REAL300000597659	0	44	-2.0	-117.09	354.81	4.18	-112.91
O=C([O-])C1CC1(C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2)C1=CC=CC=C1	REAL300000597660	0	45	-2.0	-143.09	379.05	5.82	-137.27
O=C([O-])C1(CC(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)CC(F)(F)C1(F)F	REAL300000597661	0	41	-2.0	-119.01	359.31	3.79	-115.22
CC(C)CC(CC(=O)[O-])C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597662	0	46	-2.0	-134.05	364.09	4.77	-129.28
C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597663	0	46	-2.0	-143.48	359.74	5.10	-138.38
CC1=CC=C(C(CC(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)C(=O)[O-])C=C1	REAL300000597664	0	47	-2.0	-135.85	390.80	6.27	-129.58
CC(C)(OCC(=O)[O-])C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597665	0	41	-2.0	-120.09	340.66	2.99	-117.10
CC1=C(C(=O)[O-])C(C(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)=C(C)S1	REAL300000597666	0	41	-2.0	-144.74	361.15	4.11	-140.63
O=C([O-])CCCCCCC(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597667	0	46	-2.0	-107.57	381.30	4.95	-102.62
CCC1CC(C(=O)[O-])C(C(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)C1	REAL300000597668	0	47	-2.0	-126.52	377.69	4.83	-121.69
O=C([O-])CCCCCC(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597669	0	43	-2.0	-111.10	359.80	4.17	-106.93
O=C([O-])CC1(CC(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)CC1	REAL300000597670	0	41	-2.0	-122.28	341.55	3.74	-118.54
O=C(CC1(C(=O)[O-])CC1)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597671	0	38	-2.0	-137.20	319.70	3.99	-133.21
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597672	0	43	-2.0	-147.81	350.45	2.19	-145.62
O=C([O-])C1=C(C(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)CCCCC1	REAL300000597673	0	45	-2.0	-145.58	360.84	4.64	-140.94
O=C([O-])C1CCC(C(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)S1	REAL300000597674	0	39	-2.0	-115.64	338.63	3.40	-112.24
O=C([O-])C1=C(C(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)CCC1	REAL300000597675	0	39	-2.0	-138.17	330.75	3.65	-134.52
O=C([O-])C12CC1(C(=O)N[N-]C(=O)C1=NNC3=C1CCCC3)CCC2	REAL300000597676	0	42	-2.0	-137.64	342.32	4.96	-132.68
O=C([O-])C1C2CCC(CC2)C1C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597677	0	48	-2.0	-148.60	361.76	5.14	-143.46
O=C([O-])[C@H]1CCCCC[C@H]1C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597678	0	47	-2.0	-144.30	363.15	4.49	-139.81
O=C(CC(C(=O)[O-])C1CCCCC1)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597679	0	50	-2.0	-134.82	387.54	5.34	-129.48
O=C([O-])CCCCC(=O)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300000597680	0	40	-2.0	-108.60	338.30	3.39	-105.21
O=C([O-])C1=C(C(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)CCCCCC1	REAL300000597681	0	48	-2.0	-147.87	366.38	6.44	-141.43
O=C([O-])C(CC(=O)N[N-]C(=O)C1=NNC2=C1CCCC2)CC1=CC=CC=C1	REAL300000597682	0	47	-2.0	-135.66	393.42	6.48	-129.18
COC1=CC=C(C(CC(=O)[O-])C(=O)N[N-]C(=O)C2=NNC3=C2CCCC3)C=C1	REAL300000597683	0	48	-2.0	-133.42	400.38	4.45	-128.97
O=C([O-])CC(C(=O)N[N-]C(=O)C1=NNC2=C1CCCC2)C1=CC=C(Cl)C=C1	REAL300000597684	0	44	-2.0	-112.56	384.67	5.67	-106.89
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300000598118	0	46	-2.0	-119.83	388.56	5.61	-114.22
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCCCCC2)=C1	REAL300000598119	0	49	-2.0	-123.47	376.51	4.75	-118.72
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCCC2)=C1	REAL300000598120	0	43	-2.0	-124.66	355.75	4.28	-120.38
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C)(C)CC(=O)[O-])=C1	REAL300000598121	0	42	-2.0	-97.83	346.96	2.95	-94.88
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300000598122	0	43	-2.0	-116.53	374.29	5.51	-111.02
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCCCC2)=C1	REAL300000598123	0	46	-2.0	-117.43	369.26	4.62	-112.81
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CC=CCC2C(=O)[O-])=C1	REAL300000598124	0	41	-2.0	-119.41	353.22	3.65	-115.76
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC(=O)[O-])=C1	REAL300000598125	0	33	-2.0	-99.14	303.11	1.34	-97.80
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(CC(=O)[O-])CCCCC2)=C1	REAL300000598126	0	49	-2.0	-103.39	380.10	4.55	-98.84
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(CC(=O)[O-])CCCC2)=C1	REAL300000598127	0	46	-2.0	-106.14	370.67	4.13	-102.01
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CSCC(=O)[O-])=C1	REAL300000598128	0	34	-2.0	-99.53	325.96	1.91	-97.62
CCC(CC)(CC(=O)NC1=CC(S(=O)(=O)CC)=CC=C1[O-])C(=O)[O-]	REAL300000598129	0	45	-2.0	-114.66	361.39	3.96	-110.70
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)(CC(=O)[O-])C2CCCCC2)=C1	REAL300000598130	0	52	-2.0	-119.32	401.30	5.58	-113.74
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C)(C)C(=O)[O-])=C1	REAL300000598131	0	39	-2.0	-98.11	334.36	2.44	-95.67
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300000598132	0	41	-2.0	-118.80	346.61	3.47	-115.33
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CC=CCC2C(=O)[O-])=C1	REAL300000598133	0	41	-2.0	-119.41	353.22	3.65	-115.76
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CCC(C(=O)[O-])O2)=C1	REAL300000598134	0	38	-2.0	-107.18	338.62	2.26	-104.92
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2C3C=CC(CC3)C2C(=O)[O-])=C1	REAL300000598135	0	45	-2.0	-124.65	368.46	4.51	-120.14
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(CC(=O)[O-])CCC2)=C1	REAL300000598136	0	43	-2.0	-104.92	358.67	3.60	-101.32
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)OC(C)C(=O)[O-])=C1	REAL300000598137	0	40	-2.0	-110.68	356.85	2.72	-107.96
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCOC2)=C1	REAL300000598138	0	41	-2.0	-113.77	346.97	1.74	-112.03
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCC2)=C1	REAL300000598139	0	40	-2.0	-118.19	342.44	3.76	-114.43
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)SC(C)C(=O)[O-])=C1	REAL300000598140	0	40	-2.0	-104.53	364.92	3.15	-101.38
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C(=O)[O-])CCCC2)=C1	REAL300000598141	0	41	-2.0	-124.24	350.63	4.84	-119.40
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC(F)=C(F)C=C2C(=O)[O-])=C1	REAL300000598142	0	37	-2.0	-108.08	347.53	4.21	-103.87
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C)CC(=O)[O-])=C1	REAL300000598143	0	39	-2.0	-100.93	337.21	2.57	-98.36
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])=C1	REAL300000598144	0	43	-2.0	-116.33	352.91	3.51	-112.82
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CC(C(=O)[O-])C2)=C1	REAL300000598145	0	37	-2.0	-100.90	328.13	2.52	-98.38
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C)C=CC(C)=C2C(=O)[O-])=C1	REAL300000598146	0	43	-2.0	-131.91	373.29	4.48	-127.43
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2C(C(=O)[O-])C2(C)C)=C1	REAL300000598147	0	40	-2.0	-105.44	347.37	3.21	-102.23
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CCCC2C(=O)[O-])=C1	REAL300000598148	0	40	-2.0	-135.39	340.62	3.07	-132.32
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)(CC(=O)[O-])C2=CSC=C2)=C1	REAL300000598149	0	43	-2.0	-114.32	376.53	4.42	-109.90
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)(CC(=O)[O-])CC(C)C)=C1	REAL300000598150	0	48	-2.0	-121.77	373.94	4.37	-117.40
CCC(C)(CC(=O)[O-])C(=O)NC1=CC(S(=O)(=O)CC)=CC=C1[O-]	REAL300000598151	0	42	-2.0	-97.17	348.15	2.75	-94.42
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)(C)SCC(=O)[O-])=C1	REAL300000598153	0	40	-2.0	-99.76	358.28	3.03	-96.73
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])=C1	REAL300000598154	0	42	-2.0	-125.88	348.92	4.14	-121.74
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@H]2C[C@]2(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300000598155	0	44	-2.0	-125.07	385.46	6.20	-118.87
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300000598156	0	43	-2.0	-104.03	362.40	3.71	-100.32
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2(C3=CC=CC=C3)CC2C(=O)[O-])=C1	REAL300000598157	0	44	-2.0	-125.78	384.52	5.47	-120.31
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(CC(=O)[O-])CC(C)C)=C1	REAL300000598158	0	45	-2.0	-119.17	371.86	4.23	-114.94
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])=C1	REAL300000598159	0	45	-2.0	-127.39	367.66	4.33	-123.06
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C(=O)[O-])C2=CC=C(C)C=C2)=C1	REAL300000598160	0	46	-2.0	-118.63	398.60	5.76	-112.87
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300000598161	0	34	-2.0	-118.52	309.93	2.59	-115.93
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)(C)OCC(=O)[O-])=C1	REAL300000598162	0	40	-2.0	-106.23	348.49	2.44	-103.79
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300000598163	0	40	-2.0	-130.49	368.92	3.61	-126.88
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCCCCC(=O)[O-])=C1	REAL300000598164	0	45	-2.0	-97.27	389.10	4.48	-92.79
CCC1CC(C(=O)[O-])C(C(=O)NC2=CC(S(=O)(=O)CC)=CC=C2[O-])C1	REAL300000598165	0	46	-2.0	-112.32	385.98	4.34	-107.98
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCCCC(=O)[O-])=C1	REAL300000598166	0	42	-2.0	-99.81	367.60	3.70	-96.11
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(CC(=O)[O-])CC2)=C1	REAL300000598167	0	40	-2.0	-109.80	348.07	3.29	-106.51
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CC2)=C1	REAL300000598168	0	37	-2.0	-127.72	326.68	3.36	-124.36
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=C1	REAL300000598169	0	42	-2.0	-139.83	356.82	2.05	-137.78
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C(=O)[O-])CCCCC2)=C1	REAL300000598170	0	44	-2.0	-125.68	365.86	5.26	-120.42
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CCC(C(=O)[O-])S2)=C1	REAL300000598171	0	38	-2.0	-103.34	347.08	2.92	-100.42
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C(=O)[O-])CCC2)=C1	REAL300000598172	0	38	-2.0	-120.73	340.05	2.94	-117.79
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C23CC2(C(=O)[O-])CCC3)=C1	REAL300000598173	0	41	-2.0	-121.08	353.56	4.35	-116.73
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2C3CCC(CC3)C2C(=O)[O-])=C1	REAL300000598174	0	47	-2.0	-113.56	374.63	4.40	-109.16
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CCCCC[C@@H]2C(=O)[O-])=C1	REAL300000598175	0	46	-2.0	-120.75	366.96	4.71	-116.04
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C(=O)[O-])C2CCCCC2)=C1	REAL300000598176	0	49	-2.0	-117.34	392.67	5.55	-111.79
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCCC(=O)[O-])=C1	REAL300000598177	0	39	-2.0	-97.76	346.10	2.91	-94.85
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C(=O)[O-])CCCCCC2)=C1	REAL300000598178	0	47	-2.0	-127.39	373.87	5.81	-121.58
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300000598179	0	46	-2.0	-116.50	394.54	6.00	-110.50
O=C([O-])C1(CC(=O)NC2=CC(S(=O)(=O)N3CCCC3)=CC=C2[O-])CCCC1	REAL300000600084	1	49	-2.0	-124.12	398.47	4.94	-119.18
CC(C)(CC(=O)[O-])CC(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600085	1	48	-2.0	-101.05	386.79	3.65	-97.40
O=C([O-])C1CC=CCC1C(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600086	1	47	-2.0	-127.30	393.53	4.34	-122.96
O=C([O-])CCC(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600087	1	39	-2.0	-100.94	342.94	2.05	-98.89
O=C([O-])CSCC(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600088	1	40	-2.0	-102.67	365.79	2.61	-100.06
CCC(CC)(CC(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])C(=O)[O-]	REAL300000600089	1	51	-2.0	-116.92	403.86	4.71	-112.21
CC(C)(CC(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])C(=O)[O-]	REAL300000600090	1	45	-2.0	-99.24	373.60	3.14	-96.10
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600091	1	47	-2.0	-115.77	386.38	4.27	-111.50
O=C([O-])C1CC=CCC1C(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600092	1	47	-2.0	-127.30	393.53	4.34	-122.96
O=C([O-])C1CCC(C(=O)NC2=CC(S(=O)(=O)N3CCCC3)=CC=C2[O-])O1	REAL300000600093	1	44	-2.0	-108.63	379.77	3.01	-105.62
O=C([O-])CC1(CC(=O)NC2=CC(S(=O)(=O)N3CCCC3)=CC=C2[O-])CCC1	REAL300000600094	1	49	-2.0	-109.67	399.26	4.27	-105.40
CC(OC(C)C(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])C(=O)[O-]	REAL300000600095	1	46	-2.0	-117.07	396.70	3.42	-113.65
O=C(CC1(C(=O)[O-])CCOC1)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600096	1	47	-2.0	-121.72	390.14	2.16	-119.56
O=C([O-])C1(CC(=O)NC2=CC(S(=O)(=O)N3CCCC3)=CC=C2[O-])CCC1	REAL300000600097	1	46	-2.0	-120.71	383.64	3.74	-116.97
O=C([O-])C1=C(C(=O)NC2=CC(S(=O)(=O)N3CCCC3)=CC=C2[O-])CCCC1	REAL300000600098	1	47	-2.0	-131.52	391.25	5.55	-125.97
CC(CC(=O)[O-])CC(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600099	1	45	-2.0	-104.04	377.04	3.28	-100.76
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600100	1	49	-2.0	-120.56	393.39	4.24	-116.32
O=C([O-])C1CC(C(=O)NC2=CC(S(=O)(=O)N3CCCC3)=CC=C2[O-])C1	REAL300000600101	1	43	-2.0	-102.31	369.25	3.20	-99.11
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600102	1	46	-2.0	-102.51	387.64	3.90	-98.61
O=C([O-])C1CCCC1C(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600103	1	46	-2.0	-111.67	385.16	3.73	-107.94
CCC(C)(CC(=O)[O-])C(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600104	1	48	-2.0	-97.29	387.18	3.45	-93.84
O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2=CC(S(=O)(=O)N3CCCC3)=CC=C2[O-])C1	REAL300000600105	1	49	-2.0	-107.55	402.61	4.44	-103.11
CC(C)CC(CC(=O)[O-])C(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600106	1	51	-2.0	-115.67	411.08	4.98	-110.69
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600107	1	40	-2.0	-120.26	349.73	3.31	-116.95
CC(C)(OCC(=O)[O-])C(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600108	1	46	-2.0	-110.72	388.33	3.12	-107.60
O=C([O-])CCCCCCC(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600109	1	51	-2.0	-98.91	428.93	5.17	-93.74
O=C([O-])CCCCCC(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600110	1	48	-2.0	-102.56	407.43	4.39	-98.17
O=C([O-])CC1(CC(=O)NC2=CC(S(=O)(=O)N3CCCC3)=CC=C2[O-])CC1	REAL300000600111	1	46	-2.0	-114.24	388.36	3.97	-110.27
O=C([O-])C1(CC(=O)NC2=CC(S(=O)(=O)N3CCCC3)=CC=C2[O-])CC1	REAL300000600112	1	43	-2.0	-126.28	366.98	4.06	-122.22
O=C([O-])C1=C(C(=O)NC2=CC(S(=O)(=O)N3CCCC3)=CC=C2[O-])CCC1	REAL300000600113	1	44	-2.0	-130.45	379.88	3.64	-126.81
O=C([O-])C12CC1(C(=O)NC1=CC(S(=O)(=O)N3CCCC3)=CC=C1[O-])CCC2	REAL300000600114	1	47	-2.0	-126.04	389.90	5.08	-120.96
O=C([O-])CCCCC(=O)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300000600115	1	45	-2.0	-99.51	385.94	3.61	-95.90
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCCC2)=C1	REAL300000600116	1	51	-2.0	-119.95	413.62	5.56	-114.39
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C)(C)CC(=O)[O-])=C1	REAL300000600117	1	50	-2.0	-99.72	400.70	4.25	-95.47
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CC=CCC2C(=O)[O-])=C1	REAL300000600118	1	49	-2.0	-122.36	406.94	4.94	-117.42
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC(=O)[O-])=C1	REAL300000600119	1	41	-2.0	-99.49	356.85	2.64	-96.85
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CSCC(=O)[O-])=C1	REAL300000600120	1	42	-2.0	-101.34	379.71	3.21	-98.13
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C)(C)C(=O)[O-])=C1	REAL300000600121	1	47	-2.0	-97.96	388.10	3.74	-94.22
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300000600122	1	49	-2.0	-117.23	401.25	4.85	-112.38
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CC=CCC2C(=O)[O-])=C1	REAL300000600123	1	49	-2.0	-122.36	406.94	4.94	-117.42
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CCC(C(=O)[O-])O2)=C1	REAL300000600124	1	46	-2.0	-106.22	393.24	3.61	-102.61
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(CC(=O)[O-])CCC2)=C1	REAL300000600125	1	51	-2.0	-103.61	413.25	4.89	-98.72
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)OC(C)C(=O)[O-])=C1	REAL300000600126	1	48	-2.0	-114.85	410.51	4.00	-110.85
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCC2)=C1	REAL300000600127	1	48	-2.0	-117.82	397.02	5.05	-112.77
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C(=O)[O-])CCCC2)=C1	REAL300000600128	1	49	-2.0	-124.15	405.20	6.13	-118.02
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C)CC(=O)[O-])=C1	REAL300000600129	1	47	-2.0	-102.77	390.95	3.87	-98.90
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])=C1	REAL300000600130	1	51	-2.0	-119.41	408.23	4.81	-114.60
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CC(C(=O)[O-])C2)=C1	REAL300000600131	1	45	-2.0	-101.41	383.52	3.80	-97.61
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2C(C(=O)[O-])C2(C)C)=C1	REAL300000600132	1	48	-2.0	-101.64	401.07	4.51	-97.13
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CCCC2C(=O)[O-])=C1	REAL300000600133	1	48	-2.0	-132.93	395.20	4.35	-128.58
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)(CC)CC(=O)[O-])=C1	REAL300000600134	1	50	-2.0	-98.80	401.91	4.04	-94.76
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300000600135	1	51	-2.0	-106.26	416.12	5.00	-101.26
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300000600136	1	42	-2.0	-119.28	363.62	3.89	-115.39
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)(C)OCC(=O)[O-])=C1	REAL300000600137	1	48	-2.0	-109.49	402.25	3.71	-105.78
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCCCC(=O)[O-])=C1	REAL300000600138	1	50	-2.0	-101.35	421.35	4.99	-96.36
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(CC(=O)[O-])CC2)=C1	REAL300000600139	1	48	-2.0	-113.47	401.49	4.59	-108.88
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CC2)=C1	REAL300000600140	1	45	-2.0	-123.49	382.12	4.67	-118.82
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C(=O)[O-])CCC2)=C1	REAL300000600141	1	46	-2.0	-119.55	394.63	4.22	-115.33
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C23CC2(C(=O)[O-])CCC3)=C1	REAL300000600142	1	49	-2.0	-126.78	407.33	5.63	-121.15
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCCC(=O)[O-])=C1	REAL300000600143	1	47	-2.0	-98.26	399.85	4.21	-94.05
CC(C)(CC(=O)[O-])CC(=O)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300000600144	1	51	-2.0	-100.59	401.89	4.52	-96.07
O=C([O-])CCC(=O)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300000600145	1	42	-2.0	-100.67	358.03	2.91	-97.76
O=C([O-])CSCC(=O)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300000600146	1	43	-2.0	-102.17	380.89	3.48	-98.69
CC(C)(CC(=O)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-])C(=O)[O-]	REAL300000600147	1	48	-2.0	-99.11	389.28	4.01	-95.10
O=C([O-])C1CCC(C(=O)NC2=CC(S(=O)(=O)N3CCCCC3)=CC=C2[O-])O1	REAL300000600148	1	47	-2.0	-106.49	393.61	3.89	-102.60
O=C([O-])C1(CC(=O)NC2=CC(S(=O)(=O)N3CCCCC3)=CC=C2[O-])CCC1	REAL300000600149	1	49	-2.0	-120.48	398.82	4.59	-115.89
CC(CC(=O)[O-])CC(=O)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300000600150	1	48	-2.0	-103.50	392.14	4.15	-99.35
O=C([O-])C1CC(C(=O)NC2=CC(S(=O)(=O)N3CCCCC3)=CC=C2[O-])C1	REAL300000600151	1	46	-2.0	-103.97	383.09	4.07	-99.90
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300000600152	1	49	-2.0	-105.13	401.46	4.78	-100.35
O=C([O-])C1CCCC1C(=O)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300000600153	1	49	-2.0	-115.40	398.57	4.59	-110.81
CCC(C)(CC(=O)[O-])C(=O)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300000600154	1	51	-2.0	-97.26	402.28	4.31	-92.95
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300000600155	1	43	-2.0	-120.88	363.98	4.16	-116.72
O=C([O-])CCCCCC(=O)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300000600156	1	51	-2.0	-102.02	422.53	5.26	-96.76
O=C([O-])CC1(CC(=O)NC2=CC(S(=O)(=O)N3CCCCC3)=CC=C2[O-])CC1	REAL300000600157	1	49	-2.0	-111.69	403.41	4.84	-106.85
O=C([O-])C1(CC(=O)NC2=CC(S(=O)(=O)N3CCCCC3)=CC=C2[O-])CC1	REAL300000600158	1	46	-2.0	-126.09	381.62	4.93	-121.16
O=C([O-])C1=C(C(=O)NC2=CC(S(=O)(=O)N3CCCCC3)=CC=C2[O-])CCC1	REAL300000600159	1	47	-2.0	-130.47	394.98	4.51	-125.96
O=C([O-])CCCCC(=O)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300000600160	1	48	-2.0	-99.15	401.03	4.48	-94.67
CC(CC(=O)NC1=CC=C([N+](=O)[O-])C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300000600659	0	39	-2.0	-103.35	330.68	7.89	-95.46
O=C([O-])C1(CC(=O)NC2=CC=C([N+](=O)[O-])C=C2[O-])CCCCCC1	REAL300000600660	0	42	-2.0	-102.19	322.56	7.00	-95.19
O=C([O-])C1(CC(=O)NC2=CC=C([N+](=O)[O-])C=C2[O-])CCCC1	REAL300000600661	0	36	-2.0	-104.13	304.23	6.51	-97.62
O=C([O-])C(CC(=O)NC1=CC=C([N+](=O)[O-])C=C1[O-])C1=CC=CC=C1	REAL300000600662	0	36	-2.0	-103.74	320.34	7.77	-95.97
O=C([O-])C1(CC(=O)NC2=CC=C([N+](=O)[O-])C=C2[O-])CCCCC1	REAL300000600663	0	39	-2.0	-105.53	315.31	6.88	-98.65
O=C([O-])C1CC=CCC1C(=O)NC1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300000600664	0	34	-2.0	-104.42	299.15	5.90	-98.52
O=C([O-])CC1(CC(=O)NC2=CC=C([N+](=O)[O-])C=C2[O-])CCCCC1	REAL300000600665	0	42	-2.0	-96.71	326.86	6.81	-89.90
O=C([O-])CC1(CC(=O)NC2=CC=C([N+](=O)[O-])C=C2[O-])CCCC1	REAL300000600666	0	39	-2.0	-94.30	316.83	6.37	-87.93
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CC(C)(CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300000606298	1	44	-2.0	-104.12	373.67	5.93	-98.19
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O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000606307	1	39	-2.0	-120.41	349.61	6.10	-114.31
CC(C)(OCC(=O)[O-])C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000606308	1	45	-2.0	-122.77	388.41	5.95	-116.82
O=C([O-])CCCCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300000606309	1	47	-2.0	-114.00	407.50	7.18	-106.82
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CC1=CC=C(NC(=O)CCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000606314	1	41	-2.0	-101.26	362.90	5.61	-95.65
CC1=CC=C(NC(=O)CSCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000606315	1	42	-2.0	-103.13	385.76	6.18	-96.95
CC1=CC=C(NC(=O)CC(C)(C)C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000606316	1	47	-2.0	-100.48	393.57	6.70	-93.78
CC1=CC=C(NC(=O)CC(C)CC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000606317	1	47	-2.0	-104.26	397.01	6.84	-97.42
CC1=CC=C(NC(=O)C2CC(C(=O)[O-])C2)C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000606318	1	45	-2.0	-110.05	389.68	6.79	-103.26
CC1=CC=C(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000606319	1	42	-2.0	-119.23	369.62	7.16	-112.07
CC1=CC=C(NC(=O)CC2(C(=O)[O-])CC2)C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000606320	1	45	-2.0	-123.49	387.31	7.66	-115.83
CC1=CC=C(NC(=O)CCCCC(=O)[O-])C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000606321	1	47	-2.0	-101.25	405.90	7.18	-94.07
O=C([O-])CCC(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300000606589	1	38	-2.0	-89.72	355.76	4.95	-84.77
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300000606590	1	39	-2.0	-111.57	362.46	6.51	-105.06
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300000606975	1	47	-2.0	-118.29	386.87	6.44	-111.85
O=C([O-])CCC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300000606976	1	38	-2.0	-111.56	343.02	4.83	-106.73
O=C([O-])CSCC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300000606977	1	39	-2.0	-120.42	365.87	5.41	-115.01
CC(C)(CC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300000606978	1	44	-2.0	-108.48	374.26	5.93	-102.55
O=C([O-])C1CCC(C(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3)=C2)O1	REAL300000606979	1	43	-2.0	-133.43	379.44	5.77	-127.66
CC(OC(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300000606980	1	45	-2.0	-127.76	397.49	6.23	-121.53
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CC(CC(=O)[O-])CC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300000606982	1	44	-2.0	-122.54	377.11	6.06	-116.48
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CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300000606984	1	45	-2.0	-103.52	387.28	6.70	-96.82
O=C([O-])C1CCCC1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300000606985	1	45	-2.0	-141.36	380.81	6.99	-134.37
CCC(C)(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300000606986	1	47	-2.0	-113.05	388.08	6.25	-106.80
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300000606987	1	39	-2.0	-145.97	349.48	6.38	-139.59
CC(C)(OCC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300000606988	1	45	-2.0	-131.21	388.41	5.95	-125.26
O=C([O-])CCCCCC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300000606989	1	47	-2.0	-119.80	407.51	7.18	-112.62
O=C([O-])CC1(CC(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3)=C2)CC1	REAL300000606990	1	45	-2.0	-97.97	388.11	6.78	-91.19
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CC(C)(CC(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-])C(=O)[O-]	REAL300000642571	1	42	-2.0	-97.13	360.37	1.87	-95.26
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CC(OC(C)C(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-])C(=O)[O-]	REAL300000642576	1	43	-2.0	-105.36	383.62	2.13	-103.23
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CC(SC(C)C(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-])C(=O)[O-]	REAL300000642579	1	43	-2.0	-102.08	388.91	2.51	-99.57
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CC(CC(=O)[O-])CC(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642581	1	42	-2.0	-101.52	363.22	2.00	-99.52
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642582	1	46	-2.0	-122.74	380.06	2.93	-119.81
O=C([O-])C1CC(C(=O)NC2=CC(S(=O)(=O)NC3CC3)=CC=C2[O-])C1	REAL300000642583	1	40	-2.0	-102.50	354.96	1.92	-100.58
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642584	1	43	-2.0	-101.07	374.18	2.64	-98.43
O=C([O-])C1CCCC1C(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642585	1	43	-2.0	-109.17	371.70	2.47	-106.70
CC(C)CC(C)(CC(=O)[O-])C(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642586	1	51	-2.0	-120.28	407.07	3.93	-116.35
CCC(C)(CC(=O)[O-])C(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642587	1	45	-2.0	-97.46	374.98	2.17	-95.29
CC(C)(SCC(=O)[O-])C(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642588	1	43	-2.0	-101.02	384.33	2.43	-98.59
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642589	1	45	-2.0	-118.64	376.34	3.36	-115.28
O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2=CC(S(=O)(=O)NC3CC3)=CC=C2[O-])C1	REAL300000642590	1	46	-2.0	-105.17	388.90	3.13	-102.04
CC(C)CC(CC(=O)[O-])C(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642591	1	48	-2.0	-117.52	398.81	3.51	-114.01
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642592	1	37	-2.0	-123.59	336.77	2.02	-121.57
CC(C)(OCC(=O)[O-])C(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642593	1	43	-2.0	-108.23	374.53	1.85	-106.38
O=C([O-])CCCCCCC(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642594	1	48	-2.0	-96.96	415.12	3.90	-93.06
CCC1CC(C(=O)[O-])C(C(=O)NC2=CC(S(=O)(=O)NC3CC3)=CC=C2[O-])C1	REAL300000642595	1	49	-2.0	-115.74	412.82	3.76	-111.98
O=C([O-])CCCCCC(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642596	1	45	-2.0	-100.51	393.62	3.12	-97.39
O=C([O-])CC1(CC(=O)NC2=CC(S(=O)(=O)NC3CC3)=CC=C2[O-])CC1	REAL300000642597	1	43	-2.0	-107.35	373.74	2.71	-104.64
O=C([O-])C1(CC(=O)NC2=CC(S(=O)(=O)NC3CC3)=CC=C2[O-])CC1	REAL300000642598	1	40	-2.0	-123.77	353.51	2.79	-120.98
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642599	1	45	-2.0	-125.18	383.03	1.31	-123.87
O=C([O-])C1=C(C(=O)NC2=CC(S(=O)(=O)NC3CC3)=CC=C2[O-])CCCCC1	REAL300000642600	1	47	-2.0	-129.20	392.88	4.69	-124.51
O=C([O-])C1CCC(C(=O)NC2=CC(S(=O)(=O)NC3CC3)=CC=C2[O-])S1	REAL300000642601	1	41	-2.0	-101.25	373.10	2.35	-98.90
O=C([O-])C1=C(C(=O)NC2=CC(S(=O)(=O)NC3CC3)=CC=C2[O-])CCC1	REAL300000642602	1	41	-2.0	-124.15	366.89	2.36	-121.79
O=C([O-])C12CC1(C(=O)NC1=CC(S(=O)(=O)NC3CC3)=CC=C1[O-])CCC2	REAL300000642603	1	44	-2.0	-127.86	380.03	2.93	-124.93
O=C([O-])[C@H]1CCCCC[C@H]1C(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642604	1	49	-2.0	-122.20	395.13	3.26	-118.94
O=C([O-])CCCCC(=O)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300000642605	1	42	-2.0	-97.50	372.12	2.34	-95.16
COC1=CN=C([N-]S(=O)(=O)C2=CC=C(NC(=O)CCC(=O)[O-])C=C2)N=C1	REAL300000672631	0	40	-2.0	-99.41	365.91	3.76	-95.65
COC1=CN=C([N-]S(=O)(=O)C2=CC=C(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C=C2)N=C1	REAL300000672632	0	41	-2.0	-112.35	375.32	4.38	-107.97
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CC2(C(=O)[O-])CCCC2)=C1	REAL300000703284	1	46	-2.0	-115.53	390.13	6.28	-109.25
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CC(C)(C)CC(=O)[O-])=C1	REAL300000703285	1	45	-2.0	-105.18	378.09	4.97	-100.21
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C2CC=CCC2C(=O)[O-])=C1	REAL300000703286	1	44	-2.0	-105.97	384.01	5.68	-100.29
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CCC(=O)[O-])=C1	REAL300000703287	1	36	-2.0	-98.74	334.24	3.36	-95.38
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CSCC(=O)[O-])=C1	REAL300000703288	1	37	-2.0	-107.32	357.10	3.94	-103.38
CCC(CC)(CC(=O)NC1=CC(C)=CC(C[N-]C(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300000703289	1	48	-2.0	-101.83	392.26	5.98	-95.85
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CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C2CC=CCC2C(=O)[O-])=C1	REAL300000703292	1	44	-2.0	-105.97	384.01	5.68	-100.29
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C2CCC(C(=O)[O-])O2)=C1	REAL300000703293	1	41	-2.0	-117.75	370.59	4.30	-113.45
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CC2(CC(=O)[O-])CCC2)=C1	REAL300000703294	1	46	-2.0	-94.18	390.70	5.62	-88.56
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C(C)OC(C)C(=O)[O-])=C1	REAL300000703295	1	43	-2.0	-122.10	383.47	4.67	-117.43
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CC2(C(=O)[O-])CCOC2)=C1	REAL300000703296	1	44	-2.0	-120.47	377.87	3.76	-116.71
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CC2(C(=O)[O-])CCC2)=C1	REAL300000703297	1	43	-2.0	-123.57	373.57	5.78	-117.79
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C(C)SC(C)C(=O)[O-])=C1	REAL300000703298	1	43	-2.0	-102.46	396.09	5.18	-97.28
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C2=C(C(=O)[O-])CCCC2)=C1	REAL300000703299	1	44	-2.0	-136.34	381.80	6.89	-129.45
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CC(C)CC(=O)[O-])=C1	REAL300000703300	1	42	-2.0	-109.19	368.34	4.59	-104.60
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])=C1	REAL300000703301	1	46	-2.0	-128.49	384.36	5.52	-122.97
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C2CC(C(=O)[O-])C2)=C1	REAL300000703302	1	40	-2.0	-108.51	360.10	4.52	-103.99
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C2C(C(=O)[O-])C2(C)C)=C1	REAL300000703303	1	43	-2.0	-89.20	378.22	5.24	-83.96
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C2CCCC2C(=O)[O-])=C1	REAL300000703304	1	43	-2.0	-94.55	376.21	5.08	-89.47
CCC(C)(CC(=O)[O-])C(=O)NC1=CC(C)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000703305	1	45	-2.0	-85.11	379.03	4.79	-80.32
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C(C)(C)SCC(=O)[O-])=C1	REAL300000703306	1	43	-2.0	-109.43	389.44	5.05	-104.38
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])=C1	REAL300000703307	1	45	-2.0	-107.99	381.06	5.78	-102.21
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300000703308	1	46	-2.0	-111.03	394.01	5.73	-105.30
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C(CC(=O)[O-])CC(C)C)=C1	REAL300000703309	1	48	-2.0	-120.30	403.12	6.24	-114.06
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300000703310	1	37	-2.0	-105.81	340.85	4.62	-101.19
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C(C)(C)OCC(=O)[O-])=C1	REAL300000703311	1	43	-2.0	-117.41	379.64	4.47	-112.94
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CCCCCCC(=O)[O-])=C1	REAL300000703312	1	48	-2.0	-100.51	420.24	6.49	-94.02
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CCCCCC(=O)[O-])=C1	REAL300000703313	1	45	-2.0	-107.00	398.74	5.70	-101.30
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CC2(CC(=O)[O-])CC2)=C1	REAL300000703314	1	43	-2.0	-94.68	380.00	5.30	-89.38
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CC2(C(=O)[O-])CC2)=C1	REAL300000703315	1	40	-2.0	-127.72	358.64	5.41	-122.31
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C2=C(C(=O)[O-])CCCCC2)=C1	REAL300000703316	1	47	-2.0	-108.44	397.71	7.30	-101.14
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C2CCC(C(=O)[O-])S2)=C1	REAL300000703317	1	41	-2.0	-101.64	378.02	4.96	-96.68
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C2=C(C(=O)[O-])CCC2)=C1	REAL300000703318	1	41	-2.0	-117.49	370.48	4.95	-112.54
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C23CC2(C(=O)[O-])CCC3)=C1	REAL300000703319	1	44	-2.0	-119.96	381.67	6.16	-113.80
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CCCCC(=O)[O-])=C1	REAL300000703320	1	42	-2.0	-100.30	377.24	4.92	-95.38
O=C([O-])C1(CC(=O)NC2=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C2)CCCC1	REAL300000743954	0	43	-2.0	-101.77	375.15	5.68	-96.09
CC(C)(CC(=O)[O-])CC(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743955	0	42	-2.0	-86.00	362.83	4.38	-81.62
O=C([O-])C1CC=CCC1C(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743956	0	41	-2.0	-102.81	369.93	5.07	-97.74
O=C([O-])CCC(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743957	0	33	-2.0	-82.35	318.97	2.77	-79.58
O=C([O-])CSCC(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743958	0	34	-2.0	-87.58	341.83	3.34	-84.24
CCC(CC)(CC(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300000743959	0	45	-2.0	-97.63	381.97	5.37	-92.26
CC(C)(CC(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300000743960	0	39	-2.0	-81.42	350.22	3.87	-77.55
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743961	0	41	-2.0	-87.68	362.83	4.94	-82.74
O=C([O-])C1CC=CCC1C(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743962	0	41	-2.0	-102.81	369.93	5.07	-97.74
O=C([O-])C1CCC(C(=O)NC2=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C2)O1	REAL300000743963	0	38	-2.0	-97.35	355.60	3.70	-93.65
O=C([O-])CC1(CC(=O)NC2=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C2)CCC1	REAL300000743964	0	43	-2.0	-90.25	375.70	5.03	-85.22
CC(OC(C)C(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300000743965	0	40	-2.0	-95.92	368.48	4.08	-91.84
O=C([O-])C1(CC(=O)NC2=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C2)CCOC1	REAL300000743966	0	41	-2.0	-97.00	362.86	3.16	-93.84
O=C([O-])C1(CC(=O)NC2=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C2)CCC1	REAL300000743967	0	40	-2.0	-102.68	358.58	5.19	-97.49
CC(SC(C)C(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300000743968	0	40	-2.0	-83.94	381.59	4.61	-79.33
O=C([O-])C1=C(C(=O)NC2=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C2)CCCC1	REAL300000743969	0	41	-2.0	-104.47	366.32	6.25	-98.22
CC(CC(=O)[O-])CC(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743970	0	39	-2.0	-90.07	353.35	3.99	-86.08
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743971	0	43	-2.0	-98.29	369.38	4.93	-93.36
O=C([O-])C1CC(C(=O)NC2=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C2)C1	REAL300000743972	0	37	-2.0	-87.40	345.12	3.92	-83.48
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743973	0	40	-2.0	-82.35	363.52	4.63	-77.72
O=C([O-])C1CCCC1C(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743974	0	40	-2.0	-88.94	358.35	4.53	-84.41
CCC(C)(CC(=O)[O-])C(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743975	0	42	-2.0	-82.58	364.03	4.19	-78.39
CC(C)(SCC(=O)[O-])C(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743976	0	40	-2.0	-88.09	374.44	4.45	-83.64
O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C2)C1	REAL300000743977	0	43	-2.0	-93.70	378.53	5.13	-88.57
CC(C)CC(CC(=O)[O-])C(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743978	0	45	-2.0	-98.74	387.87	5.66	-93.08
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743979	0	34	-2.0	-98.82	325.85	4.02	-94.80
CC(C)(OCC(=O)[O-])C(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743980	0	40	-2.0	-93.45	364.65	3.87	-89.58
O=C([O-])CCCCCCC(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743981	0	45	-2.0	-85.88	404.97	5.90	-79.98
O=C([O-])CCCCCC(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743982	0	42	-2.0	-88.83	383.47	5.12	-83.71
O=C([O-])CC1(CC(=O)NC2=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C2)CC1	REAL300000743983	0	40	-2.0	-90.71	364.59	4.71	-86.00
O=C([O-])C1(CC(=O)NC2=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C2)CC1	REAL300000743984	0	37	-2.0	-104.41	343.65	4.81	-99.60
O=C([O-])C1CCC(C(=O)NC2=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C2)S1	REAL300000743985	0	38	-2.0	-84.77	363.02	4.36	-80.41
O=C([O-])C1=C(C(=O)NC2=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C2)CCC1	REAL300000743986	0	38	-2.0	-100.32	355.98	4.37	-95.95
O=C([O-])C12CC1(C(=O)NC1=CC(C[N-]C(=O)C(F)(F)F)=CC(F)=C1)CCC2	REAL300000743987	0	41	-2.0	-99.83	366.70	5.56	-94.27
O=C([O-])CCCCC(=O)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300000743988	0	39	-2.0	-84.97	361.97	4.34	-80.63
O=C([O-])CCC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000777283	1	41	-2.0	-99.97	367.62	5.00	-94.97
O=C([O-])CSCC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000777284	1	42	-2.0	-100.20	390.48	5.56	-94.64
CC(C)(CC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300000777285	1	47	-2.0	-99.27	398.87	6.09	-93.18
CC(CC(=O)[O-])CC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000777286	1	47	-2.0	-101.09	401.73	6.22	-94.87
O=C([O-])C1CC(C(=O)NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)C1	REAL300000777287	1	45	-2.0	-106.81	394.39	6.20	-100.61
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000777288	1	42	-2.0	-113.22	376.25	5.68	-107.54
O=C([O-])C1(CC(=O)NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)CC1	REAL300000777289	1	45	-2.0	-121.30	392.02	7.18	-114.12
O=C([O-])CCCCC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300000777290	1	47	-2.0	-98.51	410.62	6.56	-91.95
CC(CC(=O)NCCNC(=O)C1=NC=CC=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300000779933	1	46	-2.0	-115.64	385.62	5.65	-109.99
O=C([O-])C1(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCCCCC1	REAL300000779934	1	49	-2.0	-116.85	372.51	5.13	-111.72
O=C([O-])C1(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCCC1	REAL300000779935	1	43	-2.0	-114.63	355.24	4.35	-110.28
CC(C)(CC(=O)[O-])CC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779936	1	42	-2.0	-102.34	343.20	2.92	-99.42
O=C([O-])C(CC(=O)NCCNC(=O)C1=NC=CC=C1[O-])C1=CC=CC=C1	REAL300000779937	1	43	-2.0	-114.17	374.06	5.45	-108.72
O=C([O-])C1(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCCCC1	REAL300000779938	1	46	-2.0	-114.10	365.50	4.70	-109.40
O=C([O-])C1CC=CCC1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779939	1	41	-2.0	-115.59	349.61	3.65	-111.94
O=C([O-])CC1(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCCCC1	REAL300000779940	1	49	-2.0	-105.62	377.99	4.52	-101.10
O=C([O-])CC1(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCCC1	REAL300000779941	1	46	-2.0	-105.28	368.76	4.11	-101.17
O=C([O-])CSCC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779942	1	34	-2.0	-104.19	322.20	1.88	-102.31
CCC(CC)(CC(=O)NCCNC(=O)C1=NC=CC=C1[O-])C(=O)[O-]	REAL300000779943	1	45	-2.0	-111.38	357.63	4.03	-107.35
O=C([O-])C1(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC2=CC=CC=C2C1	REAL300000779944	1	47	-2.0	-115.52	394.54	6.49	-109.03
CC(CC(=O)[O-])(C(=O)NCCNC(=O)C1=NC=CC=C1[O-])C1CCCCC1	REAL300000779945	1	52	-2.0	-112.13	398.39	5.56	-106.57
CC(C)(CC(=O)NCCNC(=O)C1=NC=CC=C1[O-])C(=O)[O-]	REAL300000779946	1	39	-2.0	-99.77	330.59	2.41	-97.36
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779947	1	41	-2.0	-106.87	341.34	3.77	-103.10
O=C([O-])C1CC=CCC1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779948	1	41	-2.0	-115.59	349.61	3.65	-111.94
O=C([O-])C1CCC(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])O1	REAL300000779949	1	38	-2.0	-112.56	335.70	2.35	-110.21
O=C([O-])C1C2C=CC(CC2)C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779950	1	45	-2.0	-112.47	356.65	5.49	-106.98
O=C([O-])CC1(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCC1	REAL300000779951	1	43	-2.0	-104.48	355.85	3.55	-100.93
CC(OC(C)C(=O)NCCNC(=O)C1=NC=CC=C1[O-])C(=O)[O-]	REAL300000779952	1	40	-2.0	-113.70	353.50	2.78	-110.92
O=C([O-])C1(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCOC1	REAL300000779953	1	41	-2.0	-112.58	343.23	1.84	-110.74
O=C([O-])C1(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCC1	REAL300000779954	1	40	-2.0	-115.05	338.90	3.83	-111.22
CC(SC(C)C(=O)NCCNC(=O)C1=NC=CC=C1[O-])C(=O)[O-]	REAL300000779955	1	40	-2.0	-108.61	360.41	3.09	-105.52
O=C([O-])C1=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCCC1	REAL300000779956	1	41	-2.0	-113.36	349.20	4.28	-109.08
O=C([O-])C1(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCCC2=CC=CC=C21	REAL300000779957	1	50	-2.0	-119.38	403.75	6.25	-113.13
O=C([O-])C1=CC(F)=C(F)C=C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779958	1	37	-2.0	-109.37	345.22	4.40	-104.97
CC(CC(=O)[O-])CC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779959	1	39	-2.0	-104.99	333.45	2.54	-102.45
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779960	1	43	-2.0	-113.55	349.66	3.49	-110.06
O=C([O-])C1CC(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300000779961	1	37	-2.0	-107.45	326.12	2.49	-104.96
CC1=CC=C(C)C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1C(=O)[O-]	REAL300000779962	1	43	-2.0	-117.27	369.99	4.68	-112.59
CC1(C)C(C(=O)[O-])C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779963	1	40	-2.0	-112.69	340.71	3.03	-109.66
O=C([O-])C1CCCC1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779964	1	40	-2.0	-115.19	337.85	3.36	-111.83
CC(CC(=O)[O-])(C(=O)NCCNC(=O)C1=NC=CC=C1[O-])C1=CSC=C1	REAL300000779965	1	43	-2.0	-109.49	372.77	4.49	-105.00
CC(C)CC(C)(CC(=O)[O-])C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779966	1	48	-2.0	-111.82	379.94	4.67	-107.15
CCC(CC(=O)[O-])(C(=O)NCCNC(=O)C1=NC=CC=C1[O-])C1=CC=C(C)C=C1	REAL300000779967	1	52	-2.0	-112.22	415.45	6.55	-105.67
CC(CC(=O)[O-])(C(=O)NCCNC(=O)C1=NC=CC=C1[O-])C1=CC=C(F)C=C1	REAL300000779968	1	46	-2.0	-107.64	387.43	5.50	-102.14
CCC(C)(CC(=O)[O-])C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779969	1	42	-2.0	-99.42	344.37	2.75	-96.67
CC(C)(SCC(=O)[O-])C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779971	1	40	-2.0	-104.61	354.50	3.01	-101.60
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779972	1	42	-2.0	-112.93	346.17	4.05	-108.88
O=C([O-])C1(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCC2=CC=CC=C21	REAL300000779973	1	47	-2.0	-117.13	392.79	6.18	-110.95
O=C([O-])[C@]1(C2=CC=CC=C2)C[C@@H]1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779974	1	44	-2.0	-119.95	382.77	6.14	-113.81
O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300000779975	1	43	-2.0	-108.48	359.64	3.72	-104.76
O=C([O-])C1CC1(C(=O)NCCNC(=O)C1=NC=CC=C1[O-])C1=CC=CC=C1	REAL300000779976	1	44	-2.0	-116.13	385.92	5.47	-110.66
O=C([O-])C1(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC(F)(F)C1(F)F	REAL300000779977	1	40	-2.0	-110.15	358.61	4.05	-106.10
CC(C)CC(CC(=O)[O-])C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779978	1	45	-2.0	-108.86	374.97	3.68	-105.18
C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779979	1	45	-2.0	-116.69	363.78	4.58	-112.11
CC1=CC=C(C(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])C(=O)[O-])C=C1	REAL300000779980	1	46	-2.0	-114.58	394.84	5.77	-108.81
CC(C)(OCC(=O)[O-])C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779981	1	40	-2.0	-109.79	344.70	2.52	-107.27
CC1=C(C(=O)[O-])C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C(C)S1	REAL300000779982	1	40	-2.0	-116.76	365.19	3.60	-113.16
O=C([O-])CCCCCCC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779983	1	45	-2.0	-102.20	385.34	4.44	-97.76
CCC1CC(C(=O)[O-])C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300000779984	1	46	-2.0	-114.09	377.40	4.25	-109.84
O=C([O-])CCCCCC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779985	1	42	-2.0	-104.82	363.84	3.66	-101.16
O=C([O-])CC1(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC1	REAL300000779986	1	40	-2.0	-106.04	345.59	3.23	-102.81
O=C([O-])C1(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC1	REAL300000779987	1	37	-2.0	-116.89	323.75	3.47	-113.42
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779988	1	42	-2.0	-118.77	354.44	1.75	-117.02
O=C([O-])C1=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCCCC1	REAL300000779989	1	44	-2.0	-113.72	364.91	4.31	-109.41
O=C([O-])C1CCC(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])S1	REAL300000779990	1	38	-2.0	-105.90	343.29	2.91	-102.99
O=C([O-])C1=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCC1	REAL300000779991	1	38	-2.0	-117.85	334.79	3.16	-114.69
O=C([O-])C12CC1(C(=O)NCCNC(=O)C1=NC=CC=C1[O-])CCC2	REAL300000779992	1	41	-2.0	-117.30	347.02	4.49	-112.81
O=C([O-])C1C2CCC(CC2)C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779993	1	47	-2.0	-113.57	365.81	4.92	-108.65
O=C([O-])[C@H]1CCCCC[C@H]1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779994	1	46	-2.0	-115.87	363.40	4.83	-111.04
O=C([O-])C(CC(=O)NCCNC(=O)C1=NC=CC=C1[O-])C1CCCCC1	REAL300000779995	1	49	-2.0	-114.90	391.59	4.84	-110.06
O=C([O-])CCCCC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300000779996	1	39	-2.0	-101.91	342.34	2.88	-99.03
O=C([O-])C1=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCCCCC1	REAL300000779997	1	47	-2.0	-121.48	370.78	5.95	-115.53
O=C([O-])C(CC(=O)NCCNC(=O)C1=NC=CC=C1[O-])CC1=CC=CC=C1	REAL300000779998	1	46	-2.0	-110.76	387.08	6.20	-104.56
COC1=CC=C(C(CC(=O)[O-])C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300000779999	1	47	-2.0	-103.57	401.39	4.03	-99.54
O=C([O-])CC(C(=O)NCCNC(=O)C1=NC=CC=C1[O-])C1=CC=C(Cl)C=C1	REAL300000780000	1	43	-2.0	-99.84	388.63	5.25	-94.59
CC(CC(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O)(C(=O)[O-])C1=CC=CC=C1	REAL300000782398	1	44	-2.0	-107.22	375.59	6.17	-101.05
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1(C(=O)[O-])CCCCCC1	REAL300000782399	1	47	-2.0	-108.59	363.55	5.30	-103.29
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1(C(=O)[O-])CCCC1	REAL300000782400	1	41	-2.0	-109.28	345.22	4.78	-104.50
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300000782401	1	40	-2.0	-91.49	333.18	3.49	-88.00
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC(C(=O)[O-])C1=CC=CC=C1	REAL300000782402	1	41	-2.0	-110.03	364.23	5.64	-104.39
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1(C(=O)[O-])CCCCC1	REAL300000782403	1	44	-2.0	-110.64	356.31	5.18	-105.46
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1CC=CCC1C(=O)[O-]	REAL300000782404	1	39	-2.0	-110.07	340.15	4.19	-105.88
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CCC(=O)[O-]	REAL300000782405	1	31	-2.0	-90.17	289.33	1.90	-88.27
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1(CC(=O)[O-])CCCCC1	REAL300000782406	1	47	-2.0	-95.50	367.72	5.10	-90.40
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1(CC(=O)[O-])CCCC1	REAL300000782407	1	44	-2.0	-100.04	359.08	4.66	-95.38
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CSCC(=O)[O-]	REAL300000782408	1	32	-2.0	-92.92	312.18	2.46	-90.46
CCC(CC)(CC(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300000782409	1	43	-2.0	-107.71	348.42	4.50	-103.21
CC(C)(CC(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300000782410	1	37	-2.0	-89.55	319.99	2.97	-86.58
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300000782411	1	39	-2.0	-101.80	333.45	4.04	-97.76
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1CC=CCC1C(=O)[O-]	REAL300000782412	1	39	-2.0	-110.07	340.15	4.19	-105.88
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1CCC(C(=O)[O-])O1	REAL300000782413	1	36	-2.0	-97.24	326.53	2.88	-94.36
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1C2C=CC(CC2)C1C(=O)[O-]	REAL300000782414	1	43	-2.0	-106.79	355.50	5.06	-101.73
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1(CC(=O)[O-])CCC1	REAL300000782415	1	41	-2.0	-93.69	346.58	4.19	-89.50
CC(OC(C)C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300000782416	1	38	-2.0	-103.42	343.00	3.25	-100.17
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1(C(=O)[O-])CCOC1	REAL300000782417	1	39	-2.0	-107.66	334.03	2.27	-105.39
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1(C(=O)[O-])CCC1	REAL300000782418	1	38	-2.0	-101.95	330.05	3.57	-98.38
CC(SC(C)C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300000782419	1	38	-2.0	-97.07	350.05	3.70	-93.37
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=C(C(=O)[O-])CCCC1	REAL300000782420	1	39	-2.0	-115.33	339.91	4.68	-110.65
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000782421	1	35	-2.0	-101.49	335.97	4.90	-96.59
CC(CC(=O)[O-])CC(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300000782422	1	37	-2.0	-93.98	323.43	3.11	-90.87
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	REAL300000782423	1	41	-2.0	-105.71	339.43	4.05	-101.66
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1CC(C(=O)[O-])C1	REAL300000782424	1	35	-2.0	-95.54	316.04	3.05	-92.49
CC1=CC=C(C)C(C(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)=C1C(=O)[O-]	REAL300000782425	1	41	-2.0	-119.35	360.34	5.03	-114.32
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300000782426	1	38	-2.0	-112.78	331.47	3.61	-109.17
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1CCCC1C(=O)[O-]	REAL300000782427	1	38	-2.0	-114.56	327.66	3.62	-110.94
CC(C)CC(C)(CC(=O)[O-])C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300000782428	1	46	-2.0	-105.05	360.99	4.92	-100.13
CCC(C)(CC(=O)[O-])C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300000782429	1	40	-2.0	-89.00	335.19	3.30	-85.70
CC(C)(SCC(=O)[O-])C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300000782431	1	38	-2.0	-93.23	344.53	3.56	-89.67
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	REAL300000782432	1	40	-2.0	-113.78	336.78	4.53	-109.25
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@H]1C[C@]1(C(=O)[O-])C1=CC=CC=C1	REAL300000782433	1	42	-2.0	-106.97	369.86	5.83	-101.14
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300000782434	1	41	-2.0	-97.46	349.39	4.27	-93.19
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1(C2=CC=CC=C2)CC1C(=O)[O-]	REAL300000782435	1	42	-2.0	-114.21	377.43	5.95	-108.26
CC(C)CC(CC(=O)[O-])C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300000782436	1	43	-2.0	-101.80	359.01	4.63	-97.17
C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300000782437	1	43	-2.0	-116.22	355.49	4.97	-111.25
CC1=CC=C(C(CC(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)C(=O)[O-])C=C1	REAL300000782438	1	44	-2.0	-109.03	384.78	6.34	-102.69
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300000782439	1	32	-2.0	-111.78	296.99	3.13	-108.65
CC(C)(OCC(=O)[O-])C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300000782440	1	38	-2.0	-99.12	334.73	2.98	-96.14
CC1=C(C(=O)[O-])C(C(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)=C(C)S1	REAL300000782441	1	38	-2.0	-118.43	355.98	4.18	-114.25
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CCCCCCC(=O)[O-]	REAL300000782442	1	43	-2.0	-91.44	375.32	5.02	-86.42
CCC1CC(C(=O)[O-])C(C(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)C1	REAL300000782443	1	44	-2.0	-118.13	368.87	5.37	-112.76
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CCCCCC(=O)[O-]	REAL300000782444	1	40	-2.0	-94.24	353.82	4.24	-90.00
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1(CC(=O)[O-])CC1	REAL300000782445	1	38	-2.0	-97.10	334.57	3.83	-93.27
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1(C(=O)[O-])CC1	REAL300000782446	1	35	-2.0	-110.91	313.73	3.91	-107.00
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300000782447	1	40	-2.0	-112.93	342.50	2.49	-110.44
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=C(C(=O)[O-])CCCCC1	REAL300000782448	1	42	-2.0	-116.51	355.52	4.77	-111.74
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1CCC(C(=O)[O-])S1	REAL300000782449	1	36	-2.0	-93.37	332.21	3.47	-89.90
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=C(C(=O)[O-])CCC1	REAL300000782450	1	36	-2.0	-110.88	324.68	3.76	-107.12
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C12CC1(C(=O)[O-])CCC2	REAL300000782451	1	39	-2.0	-116.50	340.70	4.05	-112.45
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1C2CCC(CC2)C1C(=O)[O-]	REAL300000782452	1	45	-2.0	-108.05	356.60	5.23	-102.82
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@@H]1CCCCC[C@@H]1C(=O)[O-]	REAL300000782453	1	44	-2.0	-111.37	353.97	5.23	-106.14
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC(C(=O)[O-])C1CCCCC1	REAL300000782454	1	47	-2.0	-109.66	386.36	5.89	-103.77
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CCCCC(=O)[O-]	REAL300000782455	1	37	-2.0	-91.01	332.32	3.46	-87.55
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=C(C(=O)[O-])CCCCCC1	REAL300000782456	1	45	-2.0	-117.52	361.63	6.38	-111.14
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC(CC1=CC=CC=C1)C(=O)[O-]	REAL300000782457	1	44	-2.0	-110.38	387.47	6.51	-103.87
CN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CC1(C(=O)[O-])CCC2	REAL300000845832	0	39	-2.0	-118.32	337.84	6.83	-111.49
CC(C)N(CC1=NC(=O)C2=CC=CC=C2[N-]1)C(=O)C12CC1(C(=O)[O-])CCC2	REAL300000846495	1	48	-2.0	-128.60	377.55	9.81	-118.79
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300000868741	0	41	-2.0	-105.33	340.77	7.63	-97.70
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300000868741	1	41	-2.0	-105.35	340.81	7.62	-97.73
O=C([O-])C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCCC1	REAL300000868742	0	44	-2.0	-111.79	334.66	6.62	-105.17
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CO[N-]C(=O)CNC(=O)CN(CC(=O)[O-])C1=CC=C(OC)C=C1	REAL300000959876	0	40	-2.0	-97.01	348.91	3.03	-93.98
CO[N-]C(=O)CNC(=O)CN(CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300000959877	0	36	-2.0	-93.13	336.13	4.26	-88.87
CO[N-]C(=O)CNC(=O)CC1(C(=O)[O-])CCCC2=CC=CC=C21	REAL300000959878	0	41	-2.0	-114.21	331.62	5.10	-109.11
CO[N-]C(=O)CNC(=O)C(C)(CC(=O)[O-])C1=CSC=C1	REAL300000959879	0	34	-2.0	-105.93	301.22	3.24	-102.69
CO[N-]C(=O)CNC(=O)C(CC(=O)[O-])C1=C(F)C=CC=C1Cl	REAL300000959880	0	34	-2.0	-112.22	315.35	3.72	-108.50
CCC(CC(=O)[O-])(C(=O)NCC(=O)[N-]OC)C1=CC=C(C)C=C1	REAL300000959881	0	43	-2.0	-110.25	343.96	5.33	-104.92
CO[N-]C(=O)CNC(=O)C(C)(CC(=O)[O-])C1=CC=C(F)C=C1	REAL300000959882	0	37	-2.0	-103.69	315.86	4.25	-99.44
CO[N-]C(=O)CNC(=O)C1(CC(=O)[O-])CCC2=CC(Br)=CC=C21	REAL300000959883	0	38	-2.0	-105.78	342.17	5.58	-100.20
CO[N-]C(=O)CNC(=O)CC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300000959884	0	38	-2.0	-111.74	323.58	4.47	-107.27
CO[N-]C(=O)CNC(=O)CC1(C(=O)[O-])CC(F)(F)C1(F)F	REAL300000959885	0	31	-2.0	-96.70	291.80	2.03	-94.67
CO[N-]C(=O)CNC(=O)C(CC(=O)[O-])C1=CC=C(Cl)C=C1Cl	REAL300000959888	0	34	-2.0	-92.87	328.78	4.24	-88.63
CO[N-]C(=O)CNC(=O)C(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300000959889	0	37	-2.0	-106.07	333.52	5.26	-100.81
CO[N-]C(=O)CNC(=O)C(CC(=O)[O-])C1=CC=C(OC)C=C1	REAL300000959890	0	38	-2.0	-97.28	330.43	2.68	-94.60
CO[N-]C(=O)CNC(=O)C(CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300000959891	0	34	-2.0	-93.08	317.68	3.91	-89.17
O=C([O-])C1(CC(=O)NCC2=NC(=O)C3=CC=CC=C3[N-]2)CC2=CC=CC=C2C1	REAL300000986664	1	45	-2.0	-109.64	376.22	8.02	-101.62
O=C([O-])C1(CC(=O)NCC2=NC(=O)C3=CC=CC=C3[N-]2)CCCC2=CC=CC=C21	REAL300000986679	1	48	-2.0	-113.18	384.85	7.89	-105.29
O=C([O-])C1(CC(=O)NCC2=NC(=O)C3=CC=CC=C3[N-]2)CCC2=CC=CC=C21	REAL300000986695	1	45	-2.0	-111.44	375.38	7.90	-103.54